NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
447666 |
2kqr   |
16610 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kqr
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 1283
_Distance_constraint_stats_list.Viol_count 1844
_Distance_constraint_stats_list.Viol_total 2559.480
_Distance_constraint_stats_list.Viol_max 0.637
_Distance_constraint_stats_list.Viol_rms 0.0251
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0694
_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 3 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 THR 0.349 0.041 4 0 "[ . 1 . 2]"
1 5 VAL 6.965 0.216 18 0 "[ . 1 . 2]"
1 6 TYR 2.145 0.102 20 0 "[ . 1 . 2]"
1 7 ILE 6.126 0.259 16 0 "[ . 1 . 2]"
1 8 CYS 10.434 0.637 19 6 "[ * *1 .** +-]"
1 9 PRO 1.713 0.131 16 0 "[ . 1 . 2]"
1 10 GLU 3.417 0.135 15 0 "[ . 1 . 2]"
1 11 THR 1.650 0.132 7 0 "[ . 1 . 2]"
1 12 GLY 12.920 0.637 19 6 "[ * *1 .** +-]"
1 13 ASP 2.430 0.193 4 0 "[ . 1 . 2]"
1 14 ASP 2.373 0.222 4 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ASN 1.174 0.130 10 0 "[ . 1 . 2]"
1 17 ASP 0.020 0.012 17 0 "[ . 1 . 2]"
1 18 GLY 2.205 0.159 13 0 "[ . 1 . 2]"
1 19 SER 0.059 0.038 2 0 "[ . 1 . 2]"
1 20 GLU 3.953 0.103 4 0 "[ . 1 . 2]"
1 21 LEU 3.829 0.237 7 0 "[ . 1 . 2]"
1 22 LYS 0.702 0.087 9 0 "[ . 1 . 2]"
1 23 PRO 1.001 0.130 10 0 "[ . 1 . 2]"
1 24 LEU 0.677 0.186 3 0 "[ . 1 . 2]"
1 25 ARG 6.828 0.222 4 0 "[ . 1 . 2]"
1 26 THR 2.360 0.182 7 0 "[ . 1 . 2]"
1 27 LEU 1.457 0.069 5 0 "[ . 1 . 2]"
1 28 TYR 7.073 0.241 5 0 "[ . 1 . 2]"
1 29 GLN 3.892 0.171 18 0 "[ . 1 . 2]"
1 30 ALA 5.619 0.215 3 0 "[ . 1 . 2]"
1 31 MET 7.636 0.235 8 0 "[ . 1 . 2]"
1 32 ILE 1.467 0.089 19 0 "[ . 1 . 2]"
1 33 ILE 7.544 0.171 18 0 "[ . 1 . 2]"
1 34 THR 4.757 0.216 18 0 "[ . 1 . 2]"
1 35 LYS 1.533 0.109 5 0 "[ . 1 . 2]"
1 36 SER 1.428 0.133 19 0 "[ . 1 . 2]"
1 37 SER 0.111 0.046 19 0 "[ . 1 . 2]"
1 38 LYS 3.175 0.127 14 0 "[ . 1 . 2]"
1 39 GLY 1.604 0.127 14 0 "[ . 1 . 2]"
1 40 ASP 0.328 0.049 17 0 "[ . 1 . 2]"
1 41 PHE 1.254 0.105 15 0 "[ . 1 . 2]"
1 42 LEU 2.526 0.128 14 0 "[ . 1 . 2]"
1 43 ILE 6.344 0.259 16 0 "[ . 1 . 2]"
1 44 ARG 7.073 0.281 10 0 "[ . 1 . 2]"
1 45 THR 2.905 0.188 7 0 "[ . 1 . 2]"
1 46 LYS 1.165 0.155 10 0 "[ . 1 . 2]"
1 47 LYS 3.779 0.361 6 0 "[ . 1 . 2]"
1 48 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LYS 0.214 0.113 11 0 "[ . 1 . 2]"
1 51 GLN 2.006 0.150 18 0 "[ . 1 . 2]"
1 52 VAL 2.976 0.188 7 0 "[ . 1 . 2]"
1 53 TRP 7.330 0.145 10 0 "[ . 1 . 2]"
1 54 GLU 0.635 0.072 5 0 "[ . 1 . 2]"
1 55 ALA 0.070 0.067 16 0 "[ . 1 . 2]"
1 56 ALA 1.087 0.072 5 0 "[ . 1 . 2]"
1 57 SER 2.454 0.164 17 0 "[ . 1 . 2]"
1 58 LYS 0.622 0.146 15 0 "[ . 1 . 2]"
1 59 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ALA 0.497 0.063 6 0 "[ . 1 . 2]"
1 61 LEU 8.391 0.235 8 0 "[ . 1 . 2]"
1 62 LYS 1.457 0.182 15 0 "[ . 1 . 2]"
1 63 LYS 1.163 0.118 3 0 "[ . 1 . 2]"
1 64 SER 2.172 0.121 6 0 "[ . 1 . 2]"
1 65 TRP 3.947 0.131 8 0 "[ . 1 . 2]"
1 66 LYS 1.280 0.189 13 0 "[ . 1 . 2]"
1 67 ARG 4.500 0.241 5 0 "[ . 1 . 2]"
1 68 TYR 6.918 0.200 17 0 "[ . 1 . 2]"
1 69 GLU 4.275 0.167 17 0 "[ . 1 . 2]"
1 70 GLN 3.718 0.201 15 0 "[ . 1 . 2]"
1 71 GLU 0.318 0.065 8 0 "[ . 1 . 2]"
1 72 MET 1.355 0.234 11 0 "[ . 1 . 2]"
1 73 LEU 2.971 0.150 20 0 "[ . 1 . 2]"
1 74 LYS 0.200 0.135 15 0 "[ . 1 . 2]"
1 75 ASN 0.146 0.085 1 0 "[ . 1 . 2]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 1.020 0.127 16 0 "[ . 1 . 2]"
1 79 ALA 1.090 0.127 16 0 "[ . 1 . 2]"
1 80 ALA 0.308 0.094 20 0 "[ . 1 . 2]"
1 81 LYS 0.751 0.187 19 0 "[ . 1 . 2]"
1 82 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LEU 0.014 0.011 15 0 "[ . 1 . 2]"
1 84 GLU 0.121 0.043 5 0 "[ . 1 . 2]"
1 85 LYS 0.159 0.071 5 0 "[ . 1 . 2]"
1 86 ASP 0.082 0.043 5 0 "[ . 1 . 2]"
1 87 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 VAL 0.006 0.006 20 0 "[ . 1 . 2]"
1 93 LYS 1.159 0.160 5 0 "[ . 1 . 2]"
1 94 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LEU 0.093 0.032 4 0 "[ . 1 . 2]"
1 97 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 LYS 0.340 0.105 10 0 "[ . 1 . 2]"
1 102 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 LEU 0.104 0.055 6 0 "[ . 1 . 2]"
1 108 THR 0.886 0.086 9 0 "[ . 1 . 2]"
1 109 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 LEU 0.458 0.066 14 0 "[ . 1 . 2]"
1 112 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ILE 0.954 0.132 19 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 3 MET HA 1 4 THR H . . 3.340 2.163 2.072 2.232 . 0 0 "[ . 1 . 2]" 1
2 1 3 MET QB 1 34 THR MG . . 4.180 2.127 1.854 3.236 . 0 0 "[ . 1 . 2]" 1
3 1 3 MET HB2 1 4 THR H . . 5.500 4.192 3.964 4.478 . 0 0 "[ . 1 . 2]" 1
4 1 3 MET HB3 1 4 THR H . . 5.500 3.454 2.919 4.365 . 0 0 "[ . 1 . 2]" 1
5 1 3 MET QG 1 4 THR H . . 5.430 4.012 2.768 4.783 . 0 0 "[ . 1 . 2]" 1
6 1 3 MET QG 1 5 VAL QG . . 5.230 4.185 2.369 4.966 . 0 0 "[ . 1 . 2]" 1
7 1 3 MET QG 1 34 THR MG . . 5.160 3.336 2.019 4.876 . 0 0 "[ . 1 . 2]" 1
8 1 4 THR H 1 4 THR HB . . 3.130 2.507 2.411 2.595 . 0 0 "[ . 1 . 2]" 1
9 1 4 THR H 1 4 THR MG . . 3.760 3.765 3.726 3.801 0.041 4 0 "[ . 1 . 2]" 1
10 1 4 THR HA 1 4 THR MG . . 3.430 2.354 2.326 2.432 . 0 0 "[ . 1 . 2]" 1
11 1 4 THR HA 1 5 VAL H . . 3.190 2.145 2.108 2.192 . 0 0 "[ . 1 . 2]" 1
12 1 4 THR HA 1 40 ASP H . . 4.290 3.447 2.820 4.041 . 0 0 "[ . 1 . 2]" 1
13 1 4 THR HA 1 40 ASP QB . . 3.730 2.461 1.926 3.094 . 0 0 "[ . 1 . 2]" 1
14 1 4 THR HB 1 5 VAL H . . 4.810 4.238 4.155 4.277 . 0 0 "[ . 1 . 2]" 1
15 1 4 THR HB 1 6 TYR QD . . 5.500 4.941 4.673 5.369 . 0 0 "[ . 1 . 2]" 1
16 1 4 THR HB 1 6 TYR QE . . 4.450 3.529 3.112 4.033 . 0 0 "[ . 1 . 2]" 1
17 1 4 THR MG 1 5 VAL H . . 3.600 2.917 2.766 3.001 . 0 0 "[ . 1 . 2]" 1
18 1 4 THR MG 1 6 TYR QD . . 5.120 3.719 3.463 3.917 . 0 0 "[ . 1 . 2]" 1
19 1 4 THR MG 1 6 TYR QE . . 4.180 3.041 2.831 3.347 . 0 0 "[ . 1 . 2]" 1
20 1 4 THR MG 1 40 ASP HA . . 4.560 4.419 4.164 4.601 0.041 8 0 "[ . 1 . 2]" 1
21 1 4 THR MG 1 40 ASP QB . . 3.840 2.340 2.029 3.185 . 0 0 "[ . 1 . 2]" 1
22 1 4 THR MG 1 41 PHE HA . . 5.250 3.865 3.244 4.220 . 0 0 "[ . 1 . 2]" 1
23 1 4 THR MG 1 42 LEU QD . . 3.030 2.439 1.940 2.826 . 0 0 "[ . 1 . 2]" 1
24 1 4 THR MG 1 42 LEU HG . . 3.940 2.612 2.120 3.695 . 0 0 "[ . 1 . 2]" 1
25 1 5 VAL H 1 5 VAL HB . . 3.660 2.701 2.571 2.799 . 0 0 "[ . 1 . 2]" 1
26 1 5 VAL H 1 5 VAL MG1 . . 4.460 3.844 3.782 3.918 . 0 0 "[ . 1 . 2]" 1
27 1 5 VAL H 1 5 VAL QG . . 3.530 2.451 2.344 2.627 . 0 0 "[ . 1 . 2]" 1
28 1 5 VAL H 1 5 VAL MG2 . . 4.460 2.481 2.365 2.669 . 0 0 "[ . 1 . 2]" 1
29 1 5 VAL H 1 40 ASP QB . . 4.420 3.944 3.509 4.469 0.049 17 0 "[ . 1 . 2]" 1
30 1 5 VAL H 1 41 PHE HA . . 4.210 2.668 2.435 3.045 . 0 0 "[ . 1 . 2]" 1
31 1 5 VAL H 1 41 PHE QD . . 4.970 3.336 2.683 4.211 . 0 0 "[ . 1 . 2]" 1
32 1 5 VAL H 1 41 PHE QE . . 5.400 4.531 4.170 5.251 . 0 0 "[ . 1 . 2]" 1
33 1 5 VAL H 1 42 LEU H . . 4.500 3.647 3.391 3.904 . 0 0 "[ . 1 . 2]" 1
34 1 5 VAL HA 1 5 VAL MG1 . . 3.600 2.308 2.256 2.347 . 0 0 "[ . 1 . 2]" 1
35 1 5 VAL HA 1 5 VAL QG . . 3.150 2.147 2.117 2.177 . 0 0 "[ . 1 . 2]" 1
36 1 5 VAL HA 1 5 VAL MG2 . . 3.600 2.559 2.409 2.606 . 0 0 "[ . 1 . 2]" 1
37 1 5 VAL HA 1 6 TYR H . . 3.100 2.228 2.162 2.345 . 0 0 "[ . 1 . 2]" 1
38 1 5 VAL HA 1 6 TYR QD . . 4.550 3.377 3.195 3.672 . 0 0 "[ . 1 . 2]" 1
39 1 5 VAL HB 1 6 TYR H . . 4.650 3.944 3.868 4.242 . 0 0 "[ . 1 . 2]" 1
40 1 5 VAL HB 1 34 THR MG . . 4.700 3.967 3.499 4.196 . 0 0 "[ . 1 . 2]" 1
41 1 5 VAL HB 1 41 PHE HA . . 4.480 3.149 2.871 3.440 . 0 0 "[ . 1 . 2]" 1
42 1 5 VAL HB 1 41 PHE QD . . 3.510 2.013 1.863 2.449 . 0 0 "[ . 1 . 2]" 1
43 1 5 VAL HB 1 42 LEU H . . 4.660 4.047 3.789 4.280 . 0 0 "[ . 1 . 2]" 1
44 1 5 VAL QG 1 6 TYR H . . 3.470 2.508 2.418 2.742 . 0 0 "[ . 1 . 2]" 1
45 1 5 VAL QG 1 18 GLY HA2 . . 4.320 3.156 3.003 3.398 . 0 0 "[ . 1 . 2]" 1
46 1 5 VAL QG 1 24 LEU H . . 4.750 3.661 3.555 3.735 . 0 0 "[ . 1 . 2]" 1
47 1 5 VAL QG 1 30 ALA H . . 3.720 3.708 3.545 3.763 0.043 20 0 "[ . 1 . 2]" 1
48 1 5 VAL QG 1 30 ALA HA . . 3.240 1.908 1.817 1.980 . 0 0 "[ . 1 . 2]" 1
49 1 5 VAL QG 1 30 ALA MB . . 2.600 2.031 1.864 2.115 . 0 0 "[ . 1 . 2]" 1
50 1 5 VAL QG 1 31 MET H . . 4.760 4.393 4.318 4.456 . 0 0 "[ . 1 . 2]" 1
51 1 5 VAL QG 1 33 ILE HB . . 4.320 2.949 2.463 3.167 . 0 0 "[ . 1 . 2]" 1
52 1 5 VAL QG 1 33 ILE QG . . 3.920 3.745 2.622 3.956 0.036 4 0 "[ . 1 . 2]" 1
53 1 5 VAL QG 1 34 THR H . . 4.840 3.804 3.643 4.007 . 0 0 "[ . 1 . 2]" 1
54 1 5 VAL QG 1 34 THR MG . . 2.930 1.990 1.917 2.064 . 0 0 "[ . 1 . 2]" 1
55 1 5 VAL QG 1 41 PHE QD . . 3.610 2.609 2.319 2.980 . 0 0 "[ . 1 . 2]" 1
56 1 5 VAL QG 1 41 PHE QE . . 4.810 2.357 2.182 3.094 . 0 0 "[ . 1 . 2]" 1
57 1 5 VAL MG1 1 6 TYR H . . 4.230 2.529 2.437 2.785 . 0 0 "[ . 1 . 2]" 1
58 1 5 VAL MG1 1 18 GLY HA3 . . 4.470 2.268 2.024 2.810 . 0 0 "[ . 1 . 2]" 1
59 1 5 VAL MG1 1 30 ALA H . . 4.720 3.845 3.649 3.919 . 0 0 "[ . 1 . 2]" 1
60 1 5 VAL MG1 1 30 ALA HA . . 3.750 1.969 1.853 2.060 . 0 0 "[ . 1 . 2]" 1
61 1 5 VAL MG1 1 30 ALA MB . . 2.980 2.154 1.902 2.297 . 0 0 "[ . 1 . 2]" 1
62 1 5 VAL MG1 1 34 THR MG . . 3.540 3.718 3.676 3.756 0.216 18 0 "[ . 1 . 2]" 1
63 1 5 VAL MG1 1 41 PHE QD . . 4.200 3.420 3.277 3.549 . 0 0 "[ . 1 . 2]" 1
64 1 5 VAL MG2 1 6 TYR H . . 4.230 4.159 4.038 4.239 0.009 20 0 "[ . 1 . 2]" 1
65 1 5 VAL MG2 1 18 GLY HA3 . . 4.470 4.052 3.593 4.420 . 0 0 "[ . 1 . 2]" 1
66 1 5 VAL MG2 1 30 ALA H . . 4.720 4.869 4.814 4.935 0.215 3 0 "[ . 1 . 2]" 1
67 1 5 VAL MG2 1 30 ALA HA . . 3.750 2.572 2.416 2.713 . 0 0 "[ . 1 . 2]" 1
68 1 5 VAL MG2 1 30 ALA MB . . 2.980 2.509 2.400 2.678 . 0 0 "[ . 1 . 2]" 1
69 1 5 VAL MG2 1 34 THR MG . . 3.540 1.998 1.924 2.074 . 0 0 "[ . 1 . 2]" 1
70 1 5 VAL MG2 1 41 PHE QD . . 4.200 2.728 2.355 3.388 . 0 0 "[ . 1 . 2]" 1
71 1 6 TYR H 1 6 TYR QB . . 3.530 2.441 2.401 2.499 . 0 0 "[ . 1 . 2]" 1
72 1 6 TYR H 1 6 TYR QD . . 3.720 2.408 2.311 2.544 . 0 0 "[ . 1 . 2]" 1
73 1 6 TYR H 1 6 TYR QE . . 4.470 4.472 4.403 4.512 0.042 14 0 "[ . 1 . 2]" 1
74 1 6 TYR H 1 20 GLU HA . . 4.620 4.690 4.631 4.722 0.102 20 0 "[ . 1 . 2]" 1
75 1 6 TYR H 1 30 ALA MB . . 5.290 5.040 4.887 5.312 0.022 19 0 "[ . 1 . 2]" 1
76 1 6 TYR HA 1 42 LEU H . . 4.150 2.919 2.779 3.048 . 0 0 "[ . 1 . 2]" 1
77 1 6 TYR HA 1 42 LEU HB2 . . 4.980 2.976 2.766 3.182 . 0 0 "[ . 1 . 2]" 1
78 1 6 TYR HA 1 42 LEU HB3 . . 4.820 4.401 4.200 4.584 . 0 0 "[ . 1 . 2]" 1
79 1 6 TYR HA 1 42 LEU QD . . 5.190 4.310 4.104 4.498 . 0 0 "[ . 1 . 2]" 1
80 1 6 TYR QB 1 7 ILE H . . 4.270 3.075 2.964 3.178 . 0 0 "[ . 1 . 2]" 1
81 1 6 TYR QB 1 20 GLU HA . . 3.930 2.422 2.326 2.515 . 0 0 "[ . 1 . 2]" 1
82 1 6 TYR QB 1 42 LEU H . . 4.950 4.876 4.736 4.983 0.033 4 0 "[ . 1 . 2]" 1
83 1 6 TYR QB 1 44 ARG H . . 5.010 5.000 4.810 5.044 0.034 11 0 "[ . 1 . 2]" 1
84 1 6 TYR QB 1 53 TRP HH2 . . 4.970 2.796 2.445 2.936 . 0 0 "[ . 1 . 2]" 1
85 1 6 TYR QD 1 19 SER HA . . 4.550 2.675 2.316 3.039 . 0 0 "[ . 1 . 2]" 1
86 1 6 TYR QD 1 20 GLU H . . 4.550 3.181 2.930 3.337 . 0 0 "[ . 1 . 2]" 1
87 1 6 TYR QD 1 20 GLU HA . . 4.720 3.074 2.853 3.207 . 0 0 "[ . 1 . 2]" 1
88 1 6 TYR QD 1 42 LEU HB3 . . 5.390 3.674 3.222 3.984 . 0 0 "[ . 1 . 2]" 1
89 1 6 TYR QD 1 42 LEU QD . . 5.290 3.230 3.021 3.761 . 0 0 "[ . 1 . 2]" 1
90 1 6 TYR QD 1 53 TRP HE1 . . 4.940 4.039 3.657 4.239 . 0 0 "[ . 1 . 2]" 1
91 1 6 TYR QD 1 53 TRP HE3 . . 3.780 3.286 3.103 3.529 . 0 0 "[ . 1 . 2]" 1
92 1 6 TYR QD 1 53 TRP HZ2 . . 4.670 4.021 3.748 4.307 . 0 0 "[ . 1 . 2]" 1
93 1 6 TYR QD 1 53 TRP HZ3 . . 4.400 3.969 3.677 4.209 . 0 0 "[ . 1 . 2]" 1
94 1 6 TYR QE 1 19 SER HA . . 5.070 3.768 3.490 4.140 . 0 0 "[ . 1 . 2]" 1
95 1 6 TYR QE 1 20 GLU H . . 4.470 3.514 3.230 3.744 . 0 0 "[ . 1 . 2]" 1
96 1 6 TYR QE 1 20 GLU HB2 . . 4.840 3.228 3.088 3.383 . 0 0 "[ . 1 . 2]" 1
97 1 6 TYR QE 1 20 GLU HB3 . . 5.370 4.574 4.324 4.721 . 0 0 "[ . 1 . 2]" 1
98 1 6 TYR QE 1 20 GLU HG3 . . 4.780 3.785 3.165 4.386 . 0 0 "[ . 1 . 2]" 1
99 1 6 TYR QE 1 42 LEU HB3 . . 4.790 4.213 3.884 4.754 . 0 0 "[ . 1 . 2]" 1
100 1 6 TYR QE 1 42 LEU QD . . 3.990 2.236 2.030 3.265 . 0 0 "[ . 1 . 2]" 1
101 1 6 TYR QE 1 53 TRP HD1 . . 3.900 3.614 3.286 3.904 0.004 16 0 "[ . 1 . 2]" 1
102 1 6 TYR QE 1 53 TRP HE1 . . 4.530 4.123 3.650 4.458 . 0 0 "[ . 1 . 2]" 1
103 1 7 ILE H 1 7 ILE HB . . 3.740 2.680 2.631 2.772 . 0 0 "[ . 1 . 2]" 1
104 1 7 ILE H 1 7 ILE MD . . 4.070 2.346 2.273 2.434 . 0 0 "[ . 1 . 2]" 1
105 1 7 ILE H 1 7 ILE HG13 . . 4.260 4.102 4.023 4.172 . 0 0 "[ . 1 . 2]" 1
106 1 7 ILE H 1 7 ILE MG . . 4.690 3.876 3.859 3.907 . 0 0 "[ . 1 . 2]" 1
107 1 7 ILE H 1 42 LEU H . . 4.710 3.912 3.791 4.112 . 0 0 "[ . 1 . 2]" 1
108 1 7 ILE H 1 42 LEU HB2 . . 4.850 4.161 3.964 4.338 . 0 0 "[ . 1 . 2]" 1
109 1 7 ILE H 1 43 ILE HA . . 3.960 2.384 2.291 2.467 . 0 0 "[ . 1 . 2]" 1
110 1 7 ILE H 1 43 ILE MG . . 4.400 3.937 3.829 4.039 . 0 0 "[ . 1 . 2]" 1
111 1 7 ILE H 1 44 ARG H . . 4.630 3.610 3.438 3.744 . 0 0 "[ . 1 . 2]" 1
112 1 7 ILE H 1 53 TRP HE3 . . 4.420 3.581 3.281 3.804 . 0 0 "[ . 1 . 2]" 1
113 1 7 ILE H 1 53 TRP HZ3 . . 4.000 2.801 2.423 3.087 . 0 0 "[ . 1 . 2]" 1
114 1 7 ILE HA 1 7 ILE MD . . 3.700 3.089 3.025 3.128 . 0 0 "[ . 1 . 2]" 1
115 1 7 ILE HA 1 7 ILE HG13 . . 4.210 2.899 2.517 2.960 . 0 0 "[ . 1 . 2]" 1
116 1 7 ILE HA 1 7 ILE MG . . 3.670 2.401 2.370 2.456 . 0 0 "[ . 1 . 2]" 1
117 1 7 ILE HA 1 8 CYS H . . 3.170 2.178 2.111 2.222 . 0 0 "[ . 1 . 2]" 1
118 1 7 ILE HA 1 23 PRO QB . . 4.220 3.022 2.716 3.278 . 0 0 "[ . 1 . 2]" 1
119 1 7 ILE HA 1 24 LEU H . . 3.770 2.474 2.347 2.784 . 0 0 "[ . 1 . 2]" 1
120 1 7 ILE HA 1 24 LEU QD . . 4.960 4.017 3.296 4.235 . 0 0 "[ . 1 . 2]" 1
121 1 7 ILE HB 1 7 ILE MD . . 3.370 2.549 2.431 2.575 . 0 0 "[ . 1 . 2]" 1
122 1 7 ILE HB 1 8 CYS H . . 4.700 4.172 4.087 4.354 . 0 0 "[ . 1 . 2]" 1
123 1 7 ILE HB 1 43 ILE HA . . 3.860 2.250 2.115 2.410 . 0 0 "[ . 1 . 2]" 1
124 1 7 ILE HB 1 43 ILE MD . . 3.580 2.783 1.665 3.008 . 0 0 "[ . 1 . 2]" 1
125 1 7 ILE HB 1 43 ILE HG12 . . 3.790 1.914 1.780 3.945 0.155 16 0 "[ . 1 . 2]" 1
126 1 7 ILE HB 1 43 ILE HG13 . . 3.560 3.481 3.423 3.819 0.259 16 0 "[ . 1 . 2]" 1
127 1 7 ILE MD 1 7 ILE MG . . 3.280 3.268 3.231 3.278 . 0 0 "[ . 1 . 2]" 1
128 1 7 ILE MD 1 24 LEU H . . 5.080 4.244 4.046 4.461 . 0 0 "[ . 1 . 2]" 1
129 1 7 ILE MD 1 27 LEU HA . . 3.530 3.160 2.922 3.414 . 0 0 "[ . 1 . 2]" 1
130 1 7 ILE MD 1 27 LEU QB . . 4.190 3.994 3.784 4.259 0.069 5 0 "[ . 1 . 2]" 1
131 1 7 ILE MD 1 27 LEU QD . . 2.880 2.298 2.033 2.544 . 0 0 "[ . 1 . 2]" 1
132 1 7 ILE MD 1 30 ALA H . . 5.050 4.422 4.189 4.681 . 0 0 "[ . 1 . 2]" 1
133 1 7 ILE MD 1 41 PHE HA . . 4.660 3.230 2.988 3.537 . 0 0 "[ . 1 . 2]" 1
134 1 7 ILE MD 1 41 PHE QB . . 3.710 2.374 2.097 2.594 . 0 0 "[ . 1 . 2]" 1
135 1 7 ILE MD 1 41 PHE QD . . 3.600 2.918 2.667 3.264 . 0 0 "[ . 1 . 2]" 1
136 1 7 ILE MD 1 42 LEU H . . 4.250 2.837 2.687 2.988 . 0 0 "[ . 1 . 2]" 1
137 1 7 ILE MD 1 43 ILE HA . . 4.680 3.213 3.092 3.450 . 0 0 "[ . 1 . 2]" 1
138 1 7 ILE MD 1 44 ARG H . . 4.910 4.888 4.775 4.963 0.053 19 0 "[ . 1 . 2]" 1
139 1 7 ILE HG12 1 7 ILE MG . . 3.470 2.201 2.123 2.247 . 0 0 "[ . 1 . 2]" 1
140 1 7 ILE HG12 1 9 PRO HD3 . . 5.070 5.156 5.131 5.201 0.131 16 0 "[ . 1 . 2]" 1
141 1 7 ILE HG12 1 27 LEU H . . 5.500 4.115 3.840 4.433 . 0 0 "[ . 1 . 2]" 1
142 1 7 ILE HG12 1 27 LEU HA . . 4.400 2.510 2.060 3.222 . 0 0 "[ . 1 . 2]" 1
143 1 7 ILE HG13 1 8 CYS H . . 4.940 4.851 4.418 4.947 0.007 17 0 "[ . 1 . 2]" 1
144 1 7 ILE HG13 1 24 LEU H . . 5.010 4.398 3.741 4.721 . 0 0 "[ . 1 . 2]" 1
145 1 7 ILE HG13 1 27 LEU HA . . 5.030 2.576 2.319 3.120 . 0 0 "[ . 1 . 2]" 1
146 1 7 ILE HG13 1 43 ILE MD . . 3.670 3.850 3.597 3.878 0.208 5 0 "[ . 1 . 2]" 1
147 1 7 ILE MG 1 8 CYS H . . 3.740 2.875 2.741 2.956 . 0 0 "[ . 1 . 2]" 1
148 1 7 ILE MG 1 9 PRO HA . . 4.690 3.687 3.395 3.907 . 0 0 "[ . 1 . 2]" 1
149 1 7 ILE MG 1 9 PRO HB2 . . 5.150 4.671 4.461 4.879 . 0 0 "[ . 1 . 2]" 1
150 1 7 ILE MG 1 9 PRO HB3 . . 5.150 3.758 3.116 4.333 . 0 0 "[ . 1 . 2]" 1
151 1 7 ILE MG 1 9 PRO HD2 . . 4.500 3.446 3.163 3.570 . 0 0 "[ . 1 . 2]" 1
152 1 7 ILE MG 1 9 PRO HD3 . . 4.100 1.887 1.808 1.953 . 0 0 "[ . 1 . 2]" 1
153 1 7 ILE MG 1 9 PRO QG . . 4.200 2.896 2.169 3.540 . 0 0 "[ . 1 . 2]" 1
154 1 7 ILE MG 1 23 PRO QB . . 4.920 4.221 4.080 4.413 . 0 0 "[ . 1 . 2]" 1
155 1 7 ILE MG 1 24 LEU H . . 4.780 4.137 4.012 4.294 . 0 0 "[ . 1 . 2]" 1
156 1 7 ILE MG 1 24 LEU QB . . 4.120 3.069 2.914 3.313 . 0 0 "[ . 1 . 2]" 1
157 1 7 ILE MG 1 26 THR H . . 4.580 3.063 2.560 3.438 . 0 0 "[ . 1 . 2]" 1
158 1 7 ILE MG 1 26 THR HA . . 4.000 3.123 2.699 3.414 . 0 0 "[ . 1 . 2]" 1
159 1 7 ILE MG 1 27 LEU H . . 4.240 3.341 3.022 3.597 . 0 0 "[ . 1 . 2]" 1
160 1 7 ILE MG 1 27 LEU HA . . 4.430 3.378 3.144 4.202 . 0 0 "[ . 1 . 2]" 1
161 1 7 ILE MG 1 43 ILE HA . . 4.500 3.728 3.550 3.879 . 0 0 "[ . 1 . 2]" 1
162 1 8 CYS H 1 8 CYS HB2 . . 4.180 3.165 2.700 3.238 . 0 0 "[ . 1 . 2]" 1
163 1 8 CYS H 1 8 CYS QB . . 3.610 2.607 2.553 2.656 . 0 0 "[ . 1 . 2]" 1
164 1 8 CYS H 1 8 CYS HB3 . . 4.180 2.855 2.679 3.804 . 0 0 "[ . 1 . 2]" 1
165 1 8 CYS H 1 9 PRO HD3 . . 5.080 3.805 3.603 4.073 . 0 0 "[ . 1 . 2]" 1
166 1 8 CYS H 1 12 GLY H . . 4.770 4.440 4.202 4.677 . 0 0 "[ . 1 . 2]" 1
167 1 8 CYS H 1 12 GLY HA2 . . 5.350 5.455 5.109 5.722 0.372 10 0 "[ . 1 . 2]" 1
168 1 8 CYS H 1 12 GLY HA3 . . 4.430 3.754 3.422 4.002 . 0 0 "[ . 1 . 2]" 1
169 1 8 CYS H 1 23 PRO QB . . 3.650 1.906 1.777 2.130 . 0 0 "[ . 1 . 2]" 1
170 1 8 CYS H 1 23 PRO HG3 . . 4.680 4.350 4.029 4.689 0.009 10 0 "[ . 1 . 2]" 1
171 1 8 CYS H 1 24 LEU H . . 4.500 3.254 3.063 3.574 . 0 0 "[ . 1 . 2]" 1
172 1 8 CYS H 1 25 ARG HA . . 4.220 3.381 3.105 3.534 . 0 0 "[ . 1 . 2]" 1
173 1 8 CYS HA 1 9 PRO HD2 . . 3.630 2.241 1.953 2.549 . 0 0 "[ . 1 . 2]" 1
174 1 8 CYS HA 1 9 PRO HD3 . . 3.590 2.339 2.064 2.751 . 0 0 "[ . 1 . 2]" 1
175 1 8 CYS HA 1 9 PRO HG2 . . 5.500 4.314 4.099 4.503 . 0 0 "[ . 1 . 2]" 1
176 1 8 CYS HA 1 9 PRO QG . . 4.770 3.855 3.780 3.919 . 0 0 "[ . 1 . 2]" 1
177 1 8 CYS HA 1 9 PRO HG3 . . 5.500 4.361 4.216 4.495 . 0 0 "[ . 1 . 2]" 1
178 1 8 CYS HA 1 10 GLU H . . 4.920 3.379 3.233 3.554 . 0 0 "[ . 1 . 2]" 1
179 1 8 CYS HA 1 11 THR H . . 5.370 4.698 4.352 4.881 . 0 0 "[ . 1 . 2]" 1
180 1 8 CYS HA 1 12 GLY H . . 5.250 4.752 4.596 4.982 . 0 0 "[ . 1 . 2]" 1
181 1 8 CYS HA 1 44 ARG H . . 4.210 3.021 2.755 3.322 . 0 0 "[ . 1 . 2]" 1
182 1 8 CYS HA 1 44 ARG HB2 . . 4.680 3.281 2.707 3.922 . 0 0 "[ . 1 . 2]" 1
183 1 8 CYS HA 1 44 ARG QB . . 3.920 2.604 2.227 3.164 . 0 0 "[ . 1 . 2]" 1
184 1 8 CYS HA 1 44 ARG HB3 . . 4.680 2.742 2.369 3.392 . 0 0 "[ . 1 . 2]" 1
185 1 8 CYS QB 1 10 GLU H . . 4.150 3.650 2.910 4.012 . 0 0 "[ . 1 . 2]" 1
186 1 8 CYS QB 1 11 THR H . . 4.410 3.310 2.277 3.621 . 0 0 "[ . 1 . 2]" 1
187 1 8 CYS QB 1 12 GLY H . . 3.810 2.807 2.597 2.980 . 0 0 "[ . 1 . 2]" 1
188 1 8 CYS QB 1 12 GLY HA3 . . 4.880 2.925 2.634 3.089 . 0 0 "[ . 1 . 2]" 1
189 1 8 CYS QB 1 23 PRO QB . . 4.390 2.227 2.036 2.477 . 0 0 "[ . 1 . 2]" 1
190 1 8 CYS QB 1 23 PRO HG2 . . 4.660 2.072 1.907 2.198 . 0 0 "[ . 1 . 2]" 1
191 1 8 CYS QB 1 23 PRO HG3 . . 3.860 2.518 2.183 3.344 . 0 0 "[ . 1 . 2]" 1
192 1 8 CYS QB 1 44 ARG H . . 4.910 3.852 3.538 4.793 . 0 0 "[ . 1 . 2]" 1
193 1 8 CYS QB 1 44 ARG QB . . 4.210 2.551 2.204 3.573 . 0 0 "[ . 1 . 2]" 1
194 1 8 CYS QB 1 44 ARG HE . . 4.920 4.379 2.938 4.955 0.035 8 0 "[ . 1 . 2]" 1
195 1 8 CYS QB 1 53 TRP HH2 . . 5.210 2.785 2.347 4.006 . 0 0 "[ . 1 . 2]" 1
196 1 8 CYS HB2 1 10 GLU H . . 4.880 4.515 4.060 4.745 . 0 0 "[ . 1 . 2]" 1
197 1 8 CYS HB2 1 11 THR H . . 5.210 4.373 3.291 4.613 . 0 0 "[ . 1 . 2]" 1
198 1 8 CYS HB2 1 12 GLY H . . 4.540 4.299 2.782 4.594 0.054 19 0 "[ . 1 . 2]" 1
199 1 8 CYS HB2 1 12 GLY HA2 . . 5.390 5.630 4.025 6.027 0.637 19 6 "[ * *1 .** +-]" 1
200 1 8 CYS HB2 1 23 PRO HG3 . . 4.480 2.914 2.525 3.687 . 0 0 "[ . 1 . 2]" 1
201 1 8 CYS HB3 1 10 GLU H . . 4.880 3.864 2.981 4.327 . 0 0 "[ . 1 . 2]" 1
202 1 8 CYS HB3 1 11 THR H . . 5.210 3.430 2.321 3.788 . 0 0 "[ . 1 . 2]" 1
203 1 8 CYS HB3 1 12 GLY H . . 4.540 2.888 2.628 3.372 . 0 0 "[ . 1 . 2]" 1
204 1 8 CYS HB3 1 12 GLY HA2 . . 5.390 4.241 3.743 5.213 . 0 0 "[ . 1 . 2]" 1
205 1 8 CYS HB3 1 23 PRO HG3 . . 4.480 2.848 2.307 3.929 . 0 0 "[ . 1 . 2]" 1
206 1 9 PRO QB 1 43 ILE MG . . 5.280 4.433 4.051 4.778 . 0 0 "[ . 1 . 2]" 1
207 1 9 PRO HD2 1 10 GLU H . . 4.300 2.952 2.612 3.412 . 0 0 "[ . 1 . 2]" 1
208 1 9 PRO HD2 1 43 ILE MG . . 4.000 3.158 2.986 3.373 . 0 0 "[ . 1 . 2]" 1
209 1 9 PRO HD2 1 44 ARG H . . 4.850 4.068 3.579 4.599 . 0 0 "[ . 1 . 2]" 1
210 1 9 PRO HD3 1 10 GLU H . . 4.720 3.964 3.754 4.257 . 0 0 "[ . 1 . 2]" 1
211 1 9 PRO HD3 1 43 ILE MG . . 4.280 2.405 2.199 2.855 . 0 0 "[ . 1 . 2]" 1
212 1 9 PRO HD3 1 44 ARG H . . 4.640 3.849 3.488 4.410 . 0 0 "[ . 1 . 2]" 1
213 1 9 PRO QG 1 10 GLU H . . 4.770 3.623 2.903 4.338 . 0 0 "[ . 1 . 2]" 1
214 1 9 PRO QG 1 43 ILE MG . . 4.100 3.094 2.844 3.491 . 0 0 "[ . 1 . 2]" 1
215 1 9 PRO HG2 1 10 GLU H . . 5.500 3.854 2.950 4.833 . 0 0 "[ . 1 . 2]" 1
216 1 9 PRO HG2 1 43 ILE MG . . 4.670 3.765 3.155 4.517 . 0 0 "[ . 1 . 2]" 1
217 1 9 PRO HG3 1 10 GLU H . . 5.500 4.615 4.320 4.983 . 0 0 "[ . 1 . 2]" 1
218 1 9 PRO HG3 1 43 ILE MG . . 4.670 3.357 3.049 3.685 . 0 0 "[ . 1 . 2]" 1
219 1 10 GLU H 1 10 GLU HB2 . . 3.900 2.639 2.459 3.543 . 0 0 "[ . 1 . 2]" 1
220 1 10 GLU H 1 10 GLU QB . . 3.130 2.533 2.122 2.730 . 0 0 "[ . 1 . 2]" 1
221 1 10 GLU H 1 10 GLU HB3 . . 3.900 3.532 2.318 3.753 . 0 0 "[ . 1 . 2]" 1
222 1 10 GLU H 1 10 GLU HG2 . . 4.160 2.887 1.837 4.176 0.016 11 0 "[ . 1 . 2]" 1
223 1 10 GLU H 1 10 GLU QG . . 3.630 2.208 1.820 3.744 0.114 11 0 "[ . 1 . 2]" 1
224 1 10 GLU H 1 10 GLU HG3 . . 4.160 2.836 1.849 4.231 0.071 11 0 "[ . 1 . 2]" 1
225 1 10 GLU H 1 11 THR H . . 3.330 2.603 2.172 2.943 . 0 0 "[ . 1 . 2]" 1
226 1 10 GLU H 1 11 THR MG . . 5.140 4.413 3.811 4.835 . 0 0 "[ . 1 . 2]" 1
227 1 10 GLU HA 1 10 GLU HG2 . . 4.160 2.872 2.515 3.692 . 0 0 "[ . 1 . 2]" 1
228 1 10 GLU HA 1 10 GLU HG3 . . 4.160 3.398 2.381 3.838 . 0 0 "[ . 1 . 2]" 1
229 1 10 GLU QB 1 10 GLU QG . . 2.360 2.011 1.952 2.085 . 0 0 "[ . 1 . 2]" 1
230 1 10 GLU QB 1 11 THR H . . 3.990 1.983 1.734 3.027 . 0 0 "[ . 1 . 2]" 1
231 1 10 GLU QB 1 12 GLY H . . 4.780 3.999 3.741 4.829 0.049 1 0 "[ . 1 . 2]" 1
232 1 10 GLU HB2 1 11 THR MG . . 3.820 2.577 2.296 3.913 0.093 11 0 "[ . 1 . 2]" 1
233 1 10 GLU HB3 1 11 THR MG . . 3.820 2.996 2.478 3.884 0.064 1 0 "[ . 1 . 2]" 1
234 1 10 GLU QG 1 11 THR H . . 4.390 3.394 1.718 3.567 . 0 0 "[ . 1 . 2]" 1
235 1 10 GLU QG 1 11 THR MG . . 3.980 3.872 2.017 4.112 0.132 7 0 "[ . 1 . 2]" 1
236 1 10 GLU QG 1 12 GLY H . . 4.850 4.868 3.687 4.985 0.135 15 0 "[ . 1 . 2]" 1
237 1 10 GLU HG2 1 11 THR H . . 5.120 4.108 2.687 4.698 . 0 0 "[ . 1 . 2]" 1
238 1 10 GLU HG3 1 11 THR H . . 5.120 3.783 1.739 4.315 . 0 0 "[ . 1 . 2]" 1
239 1 11 THR H 1 11 THR MG . . 3.790 2.465 1.875 2.799 . 0 0 "[ . 1 . 2]" 1
240 1 11 THR H 1 12 GLY H . . 3.290 2.287 1.962 2.601 . 0 0 "[ . 1 . 2]" 1
241 1 11 THR H 1 12 GLY HA2 . . 5.300 4.766 4.542 4.946 . 0 0 "[ . 1 . 2]" 1
242 1 11 THR H 1 12 GLY HA3 . . 5.160 4.598 4.254 4.821 . 0 0 "[ . 1 . 2]" 1
243 1 11 THR HA 1 11 THR MG . . 3.260 2.477 2.251 3.212 . 0 0 "[ . 1 . 2]" 1
244 1 11 THR HB 1 12 GLY H . . 4.860 4.312 4.070 4.610 . 0 0 "[ . 1 . 2]" 1
245 1 11 THR MG 1 12 GLY H . . 4.570 4.020 3.105 4.408 . 0 0 "[ . 1 . 2]" 1
246 1 12 GLY H 1 13 ASP H . . 4.470 4.292 4.128 4.418 . 0 0 "[ . 1 . 2]" 1
247 1 12 GLY H 1 23 PRO HG2 . . 5.130 3.505 3.217 4.519 . 0 0 "[ . 1 . 2]" 1
248 1 12 GLY H 1 25 ARG HA . . 4.580 4.370 3.820 4.616 0.036 3 0 "[ . 1 . 2]" 1
249 1 12 GLY H 1 25 ARG HB3 . . 5.110 4.469 3.230 5.303 0.193 10 0 "[ . 1 . 2]" 1
250 1 12 GLY HA2 1 22 LYS HA . . 4.720 4.597 4.323 4.785 0.065 16 0 "[ . 1 . 2]" 1
251 1 12 GLY HA2 1 23 PRO QB . . 4.840 4.569 4.247 4.933 0.093 13 0 "[ . 1 . 2]" 1
252 1 12 GLY HA2 1 23 PRO HD3 . . 5.240 4.838 4.597 5.117 . 0 0 "[ . 1 . 2]" 1
253 1 12 GLY HA2 1 23 PRO HG2 . . 4.550 3.022 2.667 4.381 . 0 0 "[ . 1 . 2]" 1
254 1 12 GLY HA3 1 13 ASP H . . 3.260 2.314 2.179 2.472 . 0 0 "[ . 1 . 2]" 1
255 1 12 GLY HA3 1 16 ASN HD21 . . 4.860 3.439 3.155 4.089 . 0 0 "[ . 1 . 2]" 1
256 1 12 GLY HA3 1 16 ASN HD22 . . 4.860 3.935 3.682 4.283 . 0 0 "[ . 1 . 2]" 1
257 1 12 GLY HA3 1 23 PRO QB . . 4.870 3.202 2.821 3.569 . 0 0 "[ . 1 . 2]" 1
258 1 12 GLY HA3 1 23 PRO HD2 . . 5.060 3.233 2.792 3.515 . 0 0 "[ . 1 . 2]" 1
259 1 12 GLY HA3 1 23 PRO HG2 . . 4.260 2.152 1.965 3.617 . 0 0 "[ . 1 . 2]" 1
260 1 12 GLY HA3 1 23 PRO HG3 . . 4.890 3.891 3.732 4.881 . 0 0 "[ . 1 . 2]" 1
261 1 12 GLY HA3 1 25 ARG H . . 5.210 5.025 4.424 5.301 0.091 17 0 "[ . 1 . 2]" 1
262 1 13 ASP H 1 13 ASP QB . . 3.870 2.849 2.621 3.295 . 0 0 "[ . 1 . 2]" 1
263 1 13 ASP H 1 14 ASP H . . 4.850 4.214 3.896 4.385 . 0 0 "[ . 1 . 2]" 1
264 1 13 ASP H 1 14 ASP HA . . 5.150 4.556 4.186 4.881 . 0 0 "[ . 1 . 2]" 1
265 1 13 ASP H 1 16 ASN H . . 4.840 4.340 4.116 4.573 . 0 0 "[ . 1 . 2]" 1
266 1 13 ASP H 1 16 ASN HB2 . . 4.650 3.545 3.303 3.699 . 0 0 "[ . 1 . 2]" 1
267 1 13 ASP H 1 16 ASN HB3 . . 4.860 4.808 4.537 4.960 0.100 7 0 "[ . 1 . 2]" 1
268 1 13 ASP H 1 16 ASN QD . . 4.010 2.129 1.844 3.053 . 0 0 "[ . 1 . 2]" 1
269 1 13 ASP H 1 23 PRO QB . . 5.350 4.515 4.098 4.894 . 0 0 "[ . 1 . 2]" 1
270 1 13 ASP H 1 24 LEU QD . . 4.810 3.997 3.776 4.201 . 0 0 "[ . 1 . 2]" 1
271 1 13 ASP H 1 25 ARG H . . 4.950 3.739 3.430 4.288 . 0 0 "[ . 1 . 2]" 1
272 1 13 ASP H 1 25 ARG HB2 . . 4.990 4.878 3.532 5.183 0.193 4 0 "[ . 1 . 2]" 1
273 1 13 ASP H 1 25 ARG HB3 . . 5.150 3.588 3.354 4.340 . 0 0 "[ . 1 . 2]" 1
274 1 13 ASP HA 1 14 ASP H . . 3.230 2.236 2.108 2.320 . 0 0 "[ . 1 . 2]" 1
275 1 13 ASP HA 1 25 ARG HB2 . . 4.340 3.280 2.130 4.113 . 0 0 "[ . 1 . 2]" 1
276 1 13 ASP HA 1 25 ARG HB3 . . 4.700 2.052 1.765 3.625 . 0 0 "[ . 1 . 2]" 1
277 1 13 ASP HA 1 25 ARG HD2 . . 5.090 3.714 1.991 5.098 0.008 8 0 "[ . 1 . 2]" 1
278 1 13 ASP HA 1 25 ARG QD . . 4.300 3.062 1.982 4.301 0.001 1 0 "[ . 1 . 2]" 1
279 1 13 ASP HA 1 25 ARG HD3 . . 5.090 3.627 2.037 4.813 . 0 0 "[ . 1 . 2]" 1
280 1 13 ASP HA 1 25 ARG HG2 . . 4.200 2.833 2.000 4.310 0.110 6 0 "[ . 1 . 2]" 1
281 1 13 ASP HA 1 25 ARG HG3 . . 4.200 3.605 1.799 4.225 0.025 6 0 "[ . 1 . 2]" 1
282 1 13 ASP QB 1 14 ASP H . . 5.070 3.441 2.583 3.677 . 0 0 "[ . 1 . 2]" 1
283 1 13 ASP QB 1 15 GLY H . . 4.050 3.117 2.878 3.376 . 0 0 "[ . 1 . 2]" 1
284 1 13 ASP QB 1 16 ASN H . . 4.470 3.632 3.310 4.488 0.018 5 0 "[ . 1 . 2]" 1
285 1 13 ASP QB 1 16 ASN HD21 . . 4.430 3.337 2.425 4.455 0.025 5 0 "[ . 1 . 2]" 1
286 1 13 ASP QB 1 16 ASN QD . . 3.750 2.545 1.965 3.770 0.020 5 0 "[ . 1 . 2]" 1
287 1 13 ASP QB 1 16 ASN HD22 . . 4.430 2.650 2.058 4.069 . 0 0 "[ . 1 . 2]" 1
288 1 14 ASP H 1 14 ASP HB2 . . 3.810 3.306 2.387 3.746 . 0 0 "[ . 1 . 2]" 1
289 1 14 ASP H 1 14 ASP QB . . 3.170 2.545 2.203 2.730 . 0 0 "[ . 1 . 2]" 1
290 1 14 ASP H 1 14 ASP HB3 . . 3.810 2.817 2.523 3.710 . 0 0 "[ . 1 . 2]" 1
291 1 14 ASP H 1 15 GLY H . . 3.450 2.692 2.545 2.942 . 0 0 "[ . 1 . 2]" 1
292 1 14 ASP H 1 25 ARG H . . 4.720 3.077 2.751 3.439 . 0 0 "[ . 1 . 2]" 1
293 1 14 ASP H 1 25 ARG HB2 . . 4.200 4.222 3.569 4.422 0.222 4 0 "[ . 1 . 2]" 1
294 1 14 ASP H 1 25 ARG HB3 . . 4.540 3.137 2.206 4.554 0.014 4 0 "[ . 1 . 2]" 1
295 1 14 ASP H 1 25 ARG QD . . 4.830 2.958 2.096 3.954 . 0 0 "[ . 1 . 2]" 1
296 1 14 ASP HA 1 16 ASN H . . 4.310 3.409 3.115 3.852 . 0 0 "[ . 1 . 2]" 1
297 1 14 ASP HA 1 24 LEU QD . . 3.580 2.289 1.946 2.938 . 0 0 "[ . 1 . 2]" 1
298 1 14 ASP HA 1 25 ARG H . . 4.020 2.381 2.005 2.958 . 0 0 "[ . 1 . 2]" 1
299 1 14 ASP HA 1 25 ARG QG . . 4.890 3.469 2.457 4.983 0.093 15 0 "[ . 1 . 2]" 1
300 1 14 ASP HA 1 26 THR H . . 4.830 3.604 2.957 4.228 . 0 0 "[ . 1 . 2]" 1
301 1 14 ASP HA 1 29 GLN QG . . 4.400 2.987 2.425 3.455 . 0 0 "[ . 1 . 2]" 1
302 1 14 ASP QB 1 24 LEU QD . . 5.150 3.468 2.768 4.392 . 0 0 "[ . 1 . 2]" 1
303 1 14 ASP QB 1 26 THR H . . 5.180 3.425 2.432 4.385 . 0 0 "[ . 1 . 2]" 1
304 1 14 ASP HB2 1 25 ARG H . . 4.940 3.978 3.490 4.419 . 0 0 "[ . 1 . 2]" 1
305 1 14 ASP HB3 1 25 ARG H . . 4.940 3.344 2.398 4.814 . 0 0 "[ . 1 . 2]" 1
306 1 15 GLY H 1 16 ASN H . . 3.400 2.488 2.255 2.892 . 0 0 "[ . 1 . 2]" 1
307 1 15 GLY H 1 24 LEU QD . . 5.010 4.078 3.905 4.298 . 0 0 "[ . 1 . 2]" 1
308 1 16 ASN H 1 16 ASN HB2 . . 3.440 2.387 2.306 2.475 . 0 0 "[ . 1 . 2]" 1
309 1 16 ASN H 1 16 ASN HB3 . . 3.830 3.612 3.496 3.667 . 0 0 "[ . 1 . 2]" 1
310 1 16 ASN H 1 16 ASN HD21 . . 4.480 3.825 2.776 4.505 0.025 9 0 "[ . 1 . 2]" 1
311 1 16 ASN H 1 16 ASN HD22 . . 4.480 4.434 4.047 4.580 0.100 9 0 "[ . 1 . 2]" 1
312 1 16 ASN H 1 22 LYS HB3 . . 5.500 5.261 5.106 5.519 0.019 1 0 "[ . 1 . 2]" 1
313 1 16 ASN H 1 24 LEU QD . . 3.920 2.669 2.438 2.963 . 0 0 "[ . 1 . 2]" 1
314 1 16 ASN HA 1 16 ASN QD . . 4.480 3.972 3.686 4.057 . 0 0 "[ . 1 . 2]" 1
315 1 16 ASN HA 1 16 ASN HD22 . . 5.120 4.576 4.393 4.672 . 0 0 "[ . 1 . 2]" 1
316 1 16 ASN HB2 1 17 ASP H . . 4.020 3.328 3.189 3.483 . 0 0 "[ . 1 . 2]" 1
317 1 16 ASN HB2 1 18 GLY H . . 4.360 2.839 2.731 3.018 . 0 0 "[ . 1 . 2]" 1
318 1 16 ASN HB2 1 22 LYS HB2 . . 5.500 4.076 3.822 4.507 . 0 0 "[ . 1 . 2]" 1
319 1 16 ASN HB2 1 22 LYS HB3 . . 4.770 3.344 3.142 3.572 . 0 0 "[ . 1 . 2]" 1
320 1 16 ASN HB2 1 24 LEU QD . . 4.770 2.154 2.062 2.322 . 0 0 "[ . 1 . 2]" 1
321 1 16 ASN HB3 1 16 ASN HD22 . . 4.020 3.757 3.477 3.947 . 0 0 "[ . 1 . 2]" 1
322 1 16 ASN HB3 1 17 ASP H . . 3.530 1.980 1.798 2.211 . 0 0 "[ . 1 . 2]" 1
323 1 16 ASN HB3 1 18 GLY H . . 3.930 2.406 2.299 2.597 . 0 0 "[ . 1 . 2]" 1
324 1 16 ASN HB3 1 22 LYS HB2 . . 4.630 2.570 2.306 2.965 . 0 0 "[ . 1 . 2]" 1
325 1 16 ASN HB3 1 22 LYS HB3 . . 4.360 1.933 1.815 2.066 . 0 0 "[ . 1 . 2]" 1
326 1 16 ASN HB3 1 22 LYS HG2 . . 5.500 4.252 3.729 4.383 . 0 0 "[ . 1 . 2]" 1
327 1 16 ASN HB3 1 22 LYS QG . . 4.740 3.935 3.537 4.071 . 0 0 "[ . 1 . 2]" 1
328 1 16 ASN HB3 1 22 LYS HG3 . . 5.500 4.648 4.395 4.876 . 0 0 "[ . 1 . 2]" 1
329 1 16 ASN HB3 1 23 PRO HA . . 5.500 4.979 4.699 5.319 . 0 0 "[ . 1 . 2]" 1
330 1 16 ASN HB3 1 24 LEU QD . . 4.850 3.323 3.102 3.470 . 0 0 "[ . 1 . 2]" 1
331 1 16 ASN QD 1 22 LYS HA . . 4.210 3.120 2.160 3.830 . 0 0 "[ . 1 . 2]" 1
332 1 16 ASN QD 1 23 PRO HD2 . . 4.530 3.351 3.039 3.960 . 0 0 "[ . 1 . 2]" 1
333 1 16 ASN QD 1 23 PRO HD3 . . 5.130 4.610 3.798 5.260 0.130 10 0 "[ . 1 . 2]" 1
334 1 16 ASN HD21 1 22 LYS HA . . 4.790 3.398 2.190 4.496 . 0 0 "[ . 1 . 2]" 1
335 1 16 ASN HD21 1 22 LYS HB2 . . 5.320 4.429 3.660 5.137 . 0 0 "[ . 1 . 2]" 1
336 1 16 ASN HD21 1 22 LYS HB3 . . 5.200 3.220 2.310 3.880 . 0 0 "[ . 1 . 2]" 1
337 1 16 ASN HD21 1 23 PRO HD2 . . 5.200 3.614 3.184 4.565 . 0 0 "[ . 1 . 2]" 1
338 1 16 ASN HD22 1 22 LYS HA . . 4.790 3.691 3.291 4.150 . 0 0 "[ . 1 . 2]" 1
339 1 16 ASN HD22 1 22 LYS HB2 . . 5.320 5.194 4.932 5.385 0.065 7 0 "[ . 1 . 2]" 1
340 1 16 ASN HD22 1 22 LYS HB3 . . 5.200 3.607 3.310 3.827 . 0 0 "[ . 1 . 2]" 1
341 1 16 ASN HD22 1 23 PRO HD2 . . 5.200 4.001 3.645 4.361 . 0 0 "[ . 1 . 2]" 1
342 1 17 ASP H 1 17 ASP QB . . 3.610 2.380 2.162 2.753 . 0 0 "[ . 1 . 2]" 1
343 1 17 ASP H 1 18 GLY H . . 3.650 2.410 2.277 2.560 . 0 0 "[ . 1 . 2]" 1
344 1 17 ASP H 1 19 SER H . . 4.540 3.796 3.395 4.552 0.012 17 0 "[ . 1 . 2]" 1
345 1 17 ASP H 1 22 LYS HB2 . . 4.220 2.842 2.482 3.423 . 0 0 "[ . 1 . 2]" 1
346 1 17 ASP H 1 22 LYS HB3 . . 4.130 3.032 2.696 3.464 . 0 0 "[ . 1 . 2]" 1
347 1 17 ASP H 1 22 LYS HD2 . . 5.500 3.196 2.488 5.507 0.007 6 0 "[ . 1 . 2]" 1
348 1 17 ASP H 1 22 LYS HD3 . . 5.500 3.221 2.850 4.346 . 0 0 "[ . 1 . 2]" 1
349 1 17 ASP H 1 24 LEU QD . . 4.970 3.865 3.677 4.006 . 0 0 "[ . 1 . 2]" 1
350 1 17 ASP HB2 1 18 GLY H . . 5.410 3.724 3.216 4.357 . 0 0 "[ . 1 . 2]" 1
351 1 17 ASP HB3 1 18 GLY H . . 5.410 3.828 3.014 4.397 . 0 0 "[ . 1 . 2]" 1
352 1 18 GLY H 1 19 SER H . . 3.330 2.547 2.390 3.086 . 0 0 "[ . 1 . 2]" 1
353 1 18 GLY H 1 22 LYS H . . 5.480 5.116 4.828 5.467 . 0 0 "[ . 1 . 2]" 1
354 1 18 GLY H 1 22 LYS HB2 . . 4.560 3.099 2.838 3.377 . 0 0 "[ . 1 . 2]" 1
355 1 18 GLY H 1 22 LYS HB3 . . 4.820 3.719 3.501 3.888 . 0 0 "[ . 1 . 2]" 1
356 1 18 GLY H 1 23 PRO HA . . 4.470 4.267 4.028 4.525 0.055 17 0 "[ . 1 . 2]" 1
357 1 18 GLY H 1 24 LEU QD . . 4.060 2.590 2.271 2.763 . 0 0 "[ . 1 . 2]" 1
358 1 18 GLY H 1 24 LEU HG . . 4.660 3.599 3.272 4.819 0.159 13 0 "[ . 1 . 2]" 1
359 1 18 GLY H 1 29 GLN QG . . 5.340 5.430 5.299 5.478 0.138 14 0 "[ . 1 . 2]" 1
360 1 18 GLY H 1 33 ILE MD . . 4.790 4.185 3.706 4.585 . 0 0 "[ . 1 . 2]" 1
361 1 18 GLY HA2 1 22 LYS HB2 . . 5.230 4.392 4.167 4.527 . 0 0 "[ . 1 . 2]" 1
362 1 18 GLY HA2 1 23 PRO HA . . 4.640 2.760 2.543 2.908 . 0 0 "[ . 1 . 2]" 1
363 1 18 GLY HA2 1 24 LEU H . . 4.150 2.822 2.696 3.137 . 0 0 "[ . 1 . 2]" 1
364 1 18 GLY HA2 1 24 LEU MD1 . . 5.030 3.310 2.480 3.636 . 0 0 "[ . 1 . 2]" 1
365 1 18 GLY HA2 1 24 LEU QD . . 4.220 2.599 1.863 2.818 . 0 0 "[ . 1 . 2]" 1
366 1 18 GLY HA2 1 24 LEU MD2 . . 5.030 2.720 1.903 2.988 . 0 0 "[ . 1 . 2]" 1
367 1 18 GLY HA2 1 24 LEU HG . . 4.390 2.179 1.847 4.309 . 0 0 "[ . 1 . 2]" 1
368 1 18 GLY HA3 1 22 LYS HB2 . . 5.420 5.373 5.319 5.413 . 0 0 "[ . 1 . 2]" 1
369 1 18 GLY HA3 1 23 PRO HA . . 4.580 4.381 4.205 4.503 . 0 0 "[ . 1 . 2]" 1
370 1 18 GLY HA3 1 24 LEU H . . 4.480 4.156 4.043 4.229 . 0 0 "[ . 1 . 2]" 1
371 1 18 GLY HA3 1 24 LEU QD . . 4.860 2.475 1.886 2.713 . 0 0 "[ . 1 . 2]" 1
372 1 18 GLY HA3 1 24 LEU HG . . 4.370 2.604 2.286 4.282 . 0 0 "[ . 1 . 2]" 1
373 1 19 SER H 1 21 LEU H . . 5.130 4.849 4.495 5.168 0.038 2 0 "[ . 1 . 2]" 1
374 1 19 SER H 1 22 LYS H . . 4.560 3.347 2.919 3.610 . 0 0 "[ . 1 . 2]" 1
375 1 19 SER H 1 22 LYS HB3 . . 5.320 4.056 3.706 4.440 . 0 0 "[ . 1 . 2]" 1
376 1 19 SER H 1 23 PRO HA . . 4.390 3.924 2.993 4.277 . 0 0 "[ . 1 . 2]" 1
377 1 19 SER H 1 24 LEU QD . . 5.330 4.299 3.632 4.526 . 0 0 "[ . 1 . 2]" 1
378 1 19 SER HA 1 20 GLU H . . 3.280 2.639 2.510 2.712 . 0 0 "[ . 1 . 2]" 1
379 1 19 SER HA 1 21 LEU H . . 4.860 4.377 4.096 4.636 . 0 0 "[ . 1 . 2]" 1
380 1 19 SER QB 1 20 GLU H . . 3.950 2.653 2.157 3.341 . 0 0 "[ . 1 . 2]" 1
381 1 19 SER QB 1 21 LEU H . . 4.240 2.851 2.557 3.084 . 0 0 "[ . 1 . 2]" 1
382 1 19 SER QB 1 22 LYS H . . 4.900 2.611 2.030 3.329 . 0 0 "[ . 1 . 2]" 1
383 1 20 GLU H 1 20 GLU HB2 . . 3.430 2.465 2.318 2.556 . 0 0 "[ . 1 . 2]" 1
384 1 20 GLU H 1 20 GLU HB3 . . 3.550 2.528 2.426 2.694 . 0 0 "[ . 1 . 2]" 1
385 1 20 GLU H 1 20 GLU HG2 . . 5.340 4.419 4.363 4.512 . 0 0 "[ . 1 . 2]" 1
386 1 20 GLU H 1 20 GLU HG3 . . 4.240 4.323 4.279 4.343 0.103 4 0 "[ . 1 . 2]" 1
387 1 20 GLU H 1 21 LEU H . . 3.830 2.549 2.438 2.727 . 0 0 "[ . 1 . 2]" 1
388 1 20 GLU HA 1 20 GLU HG3 . . 3.880 2.517 2.479 2.550 . 0 0 "[ . 1 . 2]" 1
389 1 20 GLU HA 1 22 LYS H . . 5.070 4.043 3.809 4.377 . 0 0 "[ . 1 . 2]" 1
390 1 20 GLU HA 1 53 TRP HE1 . . 4.820 4.687 4.365 4.834 0.014 8 0 "[ . 1 . 2]" 1
391 1 20 GLU HA 1 53 TRP HZ2 . . 4.380 3.264 2.922 3.464 . 0 0 "[ . 1 . 2]" 1
392 1 20 GLU HB2 1 21 LEU H . . 4.740 3.931 3.797 4.072 . 0 0 "[ . 1 . 2]" 1
393 1 20 GLU HB3 1 21 LEU H . . 3.890 2.775 2.626 2.988 . 0 0 "[ . 1 . 2]" 1
394 1 20 GLU HB3 1 53 TRP HE1 . . 5.020 4.994 4.790 5.080 0.060 7 0 "[ . 1 . 2]" 1
395 1 20 GLU HB3 1 53 TRP HZ2 . . 4.780 4.759 4.528 4.847 0.067 7 0 "[ . 1 . 2]" 1
396 1 20 GLU HG2 1 21 LEU H . . 4.340 4.041 3.747 4.327 . 0 0 "[ . 1 . 2]" 1
397 1 20 GLU HG2 1 53 TRP HE1 . . 4.260 3.205 2.797 3.671 . 0 0 "[ . 1 . 2]" 1
398 1 20 GLU HG2 1 53 TRP HZ2 . . 3.830 2.771 2.595 2.978 . 0 0 "[ . 1 . 2]" 1
399 1 20 GLU HG3 1 53 TRP HE1 . . 3.830 2.388 2.040 2.633 . 0 0 "[ . 1 . 2]" 1
400 1 20 GLU HG3 1 53 TRP HZ2 . . 3.840 2.468 1.937 3.149 . 0 0 "[ . 1 . 2]" 1
401 1 21 LEU H 1 21 LEU HB2 . . 3.220 2.427 2.306 2.482 . 0 0 "[ . 1 . 2]" 1
402 1 21 LEU H 1 21 LEU HB3 . . 3.880 3.593 3.543 3.633 . 0 0 "[ . 1 . 2]" 1
403 1 21 LEU H 1 21 LEU MD1 . . 4.480 3.544 3.249 3.823 . 0 0 "[ . 1 . 2]" 1
404 1 21 LEU H 1 21 LEU QD . . 3.890 2.361 1.828 3.237 . 0 0 "[ . 1 . 2]" 1
405 1 21 LEU H 1 21 LEU MD2 . . 4.480 2.446 1.837 3.499 . 0 0 "[ . 1 . 2]" 1
406 1 21 LEU H 1 21 LEU HG . . 3.850 3.443 2.429 3.979 0.129 2 0 "[ . 1 . 2]" 1
407 1 21 LEU H 1 22 LYS H . . 3.210 2.407 2.297 2.505 . 0 0 "[ . 1 . 2]" 1
408 1 21 LEU H 1 23 PRO HD3 . . 5.130 4.493 4.304 4.653 . 0 0 "[ . 1 . 2]" 1
409 1 21 LEU HA 1 21 LEU MD1 . . 3.440 2.628 2.034 3.677 0.237 7 0 "[ . 1 . 2]" 1
410 1 21 LEU HA 1 21 LEU QD . . 2.820 2.010 1.931 2.081 . 0 0 "[ . 1 . 2]" 1
411 1 21 LEU HA 1 21 LEU MD2 . . 3.440 2.690 1.938 3.237 . 0 0 "[ . 1 . 2]" 1
412 1 21 LEU HA 1 21 LEU HG . . 3.640 3.507 3.071 3.716 0.076 18 0 "[ . 1 . 2]" 1
413 1 21 LEU HA 1 23 PRO HD2 . . 4.860 4.821 4.608 4.918 0.058 10 0 "[ . 1 . 2]" 1
414 1 21 LEU HA 1 23 PRO HD3 . . 5.040 3.522 3.153 3.738 . 0 0 "[ . 1 . 2]" 1
415 1 21 LEU HB2 1 21 LEU MD1 . . 3.490 2.896 2.272 3.217 . 0 0 "[ . 1 . 2]" 1
416 1 21 LEU HB2 1 21 LEU QD . . 2.980 2.277 2.226 2.352 . 0 0 "[ . 1 . 2]" 1
417 1 21 LEU HB2 1 21 LEU MD2 . . 3.490 2.645 2.309 3.218 . 0 0 "[ . 1 . 2]" 1
418 1 21 LEU HB2 1 21 LEU HG . . 2.400 2.413 2.362 2.436 0.036 11 0 "[ . 1 . 2]" 1
419 1 21 LEU HB2 1 22 LYS H . . 4.100 3.166 2.961 3.602 . 0 0 "[ . 1 . 2]" 1
420 1 21 LEU QD 1 22 LYS H . . 5.250 3.923 3.614 4.318 . 0 0 "[ . 1 . 2]" 1
421 1 22 LYS H 1 22 LYS HB2 . . 3.840 2.891 2.803 2.973 . 0 0 "[ . 1 . 2]" 1
422 1 22 LYS H 1 22 LYS HG2 . . 4.870 4.024 3.788 4.562 . 0 0 "[ . 1 . 2]" 1
423 1 22 LYS H 1 22 LYS QG . . 4.170 2.977 2.713 3.740 . 0 0 "[ . 1 . 2]" 1
424 1 22 LYS H 1 22 LYS HG3 . . 4.870 3.070 2.779 3.972 . 0 0 "[ . 1 . 2]" 1
425 1 22 LYS H 1 23 PRO HD2 . . 4.070 4.085 3.983 4.157 0.087 9 0 "[ . 1 . 2]" 1
426 1 22 LYS H 1 23 PRO HD3 . . 4.590 3.060 2.677 3.218 . 0 0 "[ . 1 . 2]" 1
427 1 22 LYS HA 1 22 LYS QE . . 5.500 4.977 4.683 5.296 . 0 0 "[ . 1 . 2]" 1
428 1 22 LYS HA 1 23 PRO HD2 . . 3.480 2.199 2.046 2.658 . 0 0 "[ . 1 . 2]" 1
429 1 22 LYS HA 1 23 PRO HD3 . . 3.510 2.740 2.426 2.861 . 0 0 "[ . 1 . 2]" 1
430 1 22 LYS HB2 1 22 LYS HD2 . . 3.550 2.517 2.328 3.068 . 0 0 "[ . 1 . 2]" 1
431 1 22 LYS HB2 1 22 LYS QD . . 3.060 2.377 2.267 2.443 . 0 0 "[ . 1 . 2]" 1
432 1 22 LYS HB2 1 22 LYS HD3 . . 3.550 2.988 2.545 3.124 . 0 0 "[ . 1 . 2]" 1
433 1 22 LYS HB3 1 23 PRO HD2 . . 5.330 4.260 4.070 4.690 . 0 0 "[ . 1 . 2]" 1
434 1 22 LYS QG 1 23 PRO HD2 . . 5.050 4.541 4.414 4.886 . 0 0 "[ . 1 . 2]" 1
435 1 23 PRO QB 1 24 LEU H . . 3.720 2.872 2.787 2.975 . 0 0 "[ . 1 . 2]" 1
436 1 23 PRO QB 1 53 TRP HH2 . . 3.790 2.189 1.966 2.421 . 0 0 "[ . 1 . 2]" 1
437 1 23 PRO QB 1 53 TRP HZ2 . . 4.160 4.040 3.840 4.174 0.014 13 0 "[ . 1 . 2]" 1
438 1 23 PRO QB 1 53 TRP HZ3 . . 4.050 3.219 2.863 3.619 . 0 0 "[ . 1 . 2]" 1
439 1 23 PRO HG2 1 53 TRP HH2 . . 4.580 3.999 2.811 4.547 . 0 0 "[ . 1 . 2]" 1
440 1 23 PRO HG3 1 53 TRP HH2 . . 4.320 2.623 2.214 3.149 . 0 0 "[ . 1 . 2]" 1
441 1 24 LEU H 1 24 LEU MD1 . . 4.770 3.548 2.790 3.694 . 0 0 "[ . 1 . 2]" 1
442 1 24 LEU H 1 24 LEU QD . . 3.930 2.956 1.626 3.192 . 0 0 "[ . 1 . 2]" 1
443 1 24 LEU H 1 24 LEU MD2 . . 4.770 3.200 1.637 3.503 . 0 0 "[ . 1 . 2]" 1
444 1 24 LEU H 1 24 LEU HG . . 3.640 2.517 2.283 3.826 0.186 3 0 "[ . 1 . 2]" 1
445 1 24 LEU HA 1 24 LEU QD . . 3.350 2.047 1.972 2.169 . 0 0 "[ . 1 . 2]" 1
446 1 24 LEU QB 1 24 LEU QD . . 2.850 1.936 1.914 2.027 . 0 0 "[ . 1 . 2]" 1
447 1 24 LEU QB 1 24 LEU HG . . 2.570 2.321 2.114 2.366 . 0 0 "[ . 1 . 2]" 1
448 1 24 LEU QB 1 25 ARG H . . 3.590 2.430 1.999 2.798 . 0 0 "[ . 1 . 2]" 1
449 1 24 LEU QB 1 30 ALA HA . . 4.800 4.497 4.313 4.657 . 0 0 "[ . 1 . 2]" 1
450 1 24 LEU QD 1 25 ARG H . . 4.260 3.399 3.243 3.646 . 0 0 "[ . 1 . 2]" 1
451 1 24 LEU QD 1 26 THR H . . 4.880 3.749 3.560 4.162 . 0 0 "[ . 1 . 2]" 1
452 1 24 LEU QD 1 29 GLN H . . 4.810 3.841 3.617 4.840 0.030 13 0 "[ . 1 . 2]" 1
453 1 24 LEU QD 1 29 GLN QB . . 4.320 2.086 1.919 3.104 . 0 0 "[ . 1 . 2]" 1
454 1 24 LEU QD 1 29 GLN QG . . 3.460 1.814 1.681 2.336 . 0 0 "[ . 1 . 2]" 1
455 1 24 LEU QD 1 30 ALA H . . 4.220 2.702 2.526 3.556 . 0 0 "[ . 1 . 2]" 1
456 1 24 LEU QD 1 30 ALA HA . . 3.480 2.352 2.179 2.989 . 0 0 "[ . 1 . 2]" 1
457 1 25 ARG H 1 25 ARG HB2 . . 4.100 3.617 2.792 3.843 . 0 0 "[ . 1 . 2]" 1
458 1 25 ARG H 1 25 ARG HB3 . . 3.780 2.781 2.238 3.709 . 0 0 "[ . 1 . 2]" 1
459 1 25 ARG H 1 25 ARG QD . . 5.230 3.944 2.825 4.489 . 0 0 "[ . 1 . 2]" 1
460 1 25 ARG H 1 26 THR H . . 3.160 2.224 1.781 2.508 . 0 0 "[ . 1 . 2]" 1
461 1 25 ARG H 1 26 THR MG . . 4.980 4.087 3.258 5.119 0.139 17 0 "[ . 1 . 2]" 1
462 1 25 ARG H 1 29 GLN QG . . 5.200 4.746 4.358 5.103 . 0 0 "[ . 1 . 2]" 1
463 1 25 ARG HA 1 25 ARG HD2 . . 5.500 4.644 3.809 5.517 0.017 9 0 "[ . 1 . 2]" 1
464 1 25 ARG HA 1 25 ARG HD3 . . 5.500 4.769 4.050 5.523 0.023 17 0 "[ . 1 . 2]" 1
465 1 25 ARG HA 1 25 ARG HG2 . . 4.080 3.843 3.281 4.210 0.130 1 0 "[ . 1 . 2]" 1
466 1 25 ARG HA 1 25 ARG HG3 . . 4.080 3.576 2.771 3.799 . 0 0 "[ . 1 . 2]" 1
467 1 25 ARG HB2 1 26 THR H . . 4.400 4.397 4.146 4.462 0.062 14 0 "[ . 1 . 2]" 1
468 1 25 ARG QD 1 26 THR H . . 5.120 4.565 3.263 5.183 0.063 10 0 "[ . 1 . 2]" 1
469 1 26 THR H 1 26 THR MG . . 3.920 3.081 2.450 3.896 . 0 0 "[ . 1 . 2]" 1
470 1 26 THR H 1 29 GLN H . . 4.860 4.135 3.851 4.524 . 0 0 "[ . 1 . 2]" 1
471 1 26 THR H 1 29 GLN QB . . 4.220 3.452 3.229 3.781 . 0 0 "[ . 1 . 2]" 1
472 1 26 THR H 1 29 GLN QG . . 5.340 4.866 4.587 5.114 . 0 0 "[ . 1 . 2]" 1
473 1 26 THR H 1 30 ALA H . . 5.140 4.874 4.642 5.088 . 0 0 "[ . 1 . 2]" 1
474 1 26 THR H 1 30 ALA MB . . 5.110 5.156 5.113 5.205 0.095 3 0 "[ . 1 . 2]" 1
475 1 26 THR HA 1 26 THR MG . . 3.270 2.468 2.205 3.228 . 0 0 "[ . 1 . 2]" 1
476 1 26 THR HA 1 27 LEU H . . 3.200 2.228 2.145 2.342 . 0 0 "[ . 1 . 2]" 1
477 1 26 THR HA 1 28 TYR H . . 4.120 3.685 3.548 3.837 . 0 0 "[ . 1 . 2]" 1
478 1 26 THR HA 1 29 GLN H . . 4.840 4.671 4.458 4.880 0.040 17 0 "[ . 1 . 2]" 1
479 1 26 THR HB 1 27 LEU H . . 3.930 3.043 2.443 3.861 . 0 0 "[ . 1 . 2]" 1
480 1 26 THR HB 1 28 TYR H . . 3.650 2.620 2.138 3.832 0.182 7 0 "[ . 1 . 2]" 1
481 1 26 THR HB 1 28 TYR HB2 . . 5.210 3.560 2.971 4.764 . 0 0 "[ . 1 . 2]" 1
482 1 26 THR HB 1 28 TYR HB3 . . 4.690 2.618 2.132 3.893 . 0 0 "[ . 1 . 2]" 1
483 1 26 THR HB 1 29 GLN H . . 4.680 3.173 2.389 4.575 . 0 0 "[ . 1 . 2]" 1
484 1 26 THR MG 1 27 LEU H . . 4.200 3.596 2.339 3.843 . 0 0 "[ . 1 . 2]" 1
485 1 26 THR MG 1 28 TYR H . . 4.620 3.562 1.742 4.064 . 0 0 "[ . 1 . 2]" 1
486 1 26 THR MG 1 28 TYR HB2 . . 4.650 3.970 2.457 4.461 . 0 0 "[ . 1 . 2]" 1
487 1 26 THR MG 1 29 GLN H . . 5.090 3.636 1.717 4.538 . 0 0 "[ . 1 . 2]" 1
488 1 27 LEU H 1 27 LEU HB2 . . 3.580 2.550 2.430 2.640 . 0 0 "[ . 1 . 2]" 1
489 1 27 LEU H 1 27 LEU HB3 . . 3.580 2.448 2.338 3.573 . 0 0 "[ . 1 . 2]" 1
490 1 27 LEU H 1 27 LEU MD1 . . 5.480 4.107 3.470 4.199 . 0 0 "[ . 1 . 2]" 1
491 1 27 LEU H 1 27 LEU QD . . 4.630 3.668 3.111 3.744 . 0 0 "[ . 1 . 2]" 1
492 1 27 LEU H 1 27 LEU MD2 . . 5.480 4.127 3.516 4.223 . 0 0 "[ . 1 . 2]" 1
493 1 27 LEU H 1 27 LEU HG . . 4.890 4.320 2.273 4.479 . 0 0 "[ . 1 . 2]" 1
494 1 27 LEU H 1 28 TYR H . . 3.440 2.299 2.208 2.453 . 0 0 "[ . 1 . 2]" 1
495 1 27 LEU HA 1 27 LEU MD1 . . 3.800 2.199 2.070 3.848 0.048 5 0 "[ . 1 . 2]" 1
496 1 27 LEU HA 1 27 LEU QD . . 3.320 2.099 2.039 2.157 . 0 0 "[ . 1 . 2]" 1
497 1 27 LEU HA 1 27 LEU MD2 . . 3.800 3.752 2.047 3.855 0.055 6 0 "[ . 1 . 2]" 1
498 1 27 LEU HA 1 27 LEU HG . . 4.040 3.251 2.880 3.338 . 0 0 "[ . 1 . 2]" 1
499 1 27 LEU HA 1 29 GLN H . . 5.450 4.267 4.123 4.329 . 0 0 "[ . 1 . 2]" 1
500 1 27 LEU HA 1 29 GLN QB . . 5.500 4.995 4.879 5.127 . 0 0 "[ . 1 . 2]" 1
501 1 27 LEU HA 1 30 ALA H . . 3.990 3.211 2.968 3.388 . 0 0 "[ . 1 . 2]" 1
502 1 27 LEU HA 1 30 ALA MB . . 3.660 2.506 2.193 2.702 . 0 0 "[ . 1 . 2]" 1
503 1 27 LEU HA 1 31 MET H . . 4.980 4.426 3.878 4.707 . 0 0 "[ . 1 . 2]" 1
504 1 27 LEU QB 1 27 LEU QD . . 2.820 1.926 1.879 1.941 . 0 0 "[ . 1 . 2]" 1
505 1 27 LEU QB 1 27 LEU HG . . 2.470 2.335 2.297 2.363 . 0 0 "[ . 1 . 2]" 1
506 1 27 LEU QB 1 28 TYR H . . 3.620 2.850 2.761 2.941 . 0 0 "[ . 1 . 2]" 1
507 1 27 LEU HB2 1 28 TYR H . . 4.490 3.930 2.929 4.055 . 0 0 "[ . 1 . 2]" 1
508 1 27 LEU HB2 1 64 SER QB . . 4.630 4.371 2.385 4.683 0.053 7 0 "[ . 1 . 2]" 1
509 1 27 LEU HB3 1 28 TYR H . . 4.490 2.966 2.819 3.834 . 0 0 "[ . 1 . 2]" 1
510 1 27 LEU HB3 1 64 SER QB . . 4.630 3.053 2.343 3.341 . 0 0 "[ . 1 . 2]" 1
511 1 27 LEU QD 1 28 TYR H . . 5.030 4.119 4.029 4.176 . 0 0 "[ . 1 . 2]" 1
512 1 27 LEU QD 1 31 MET ME . . 4.010 3.326 2.822 3.997 . 0 0 "[ . 1 . 2]" 1
513 1 27 LEU QD 1 31 MET QG . . 4.830 3.377 2.763 3.837 . 0 0 "[ . 1 . 2]" 1
514 1 27 LEU QD 1 41 PHE H . . 4.930 4.850 4.617 4.981 0.051 19 0 "[ . 1 . 2]" 1
515 1 27 LEU QD 1 41 PHE QB . . 3.620 2.206 2.034 2.342 . 0 0 "[ . 1 . 2]" 1
516 1 27 LEU QD 1 41 PHE QD . . 4.210 3.008 2.597 3.243 . 0 0 "[ . 1 . 2]" 1
517 1 27 LEU QD 1 57 SER H . . 5.350 3.596 3.191 3.924 . 0 0 "[ . 1 . 2]" 1
518 1 27 LEU QD 1 60 ALA MB . . 3.690 2.431 2.254 2.750 . 0 0 "[ . 1 . 2]" 1
519 1 27 LEU QD 1 61 LEU H . . 4.280 3.283 3.001 3.558 . 0 0 "[ . 1 . 2]" 1
520 1 27 LEU QD 1 61 LEU HA . . 3.530 2.391 2.198 2.609 . 0 0 "[ . 1 . 2]" 1
521 1 27 LEU QD 1 64 SER H . . 5.440 3.866 3.484 4.098 . 0 0 "[ . 1 . 2]" 1
522 1 27 LEU QD 1 64 SER QB . . 4.040 3.005 2.576 3.175 . 0 0 "[ . 1 . 2]" 1
523 1 27 LEU MD1 1 41 PHE HB2 . . 5.480 2.943 2.586 4.261 . 0 0 "[ . 1 . 2]" 1
524 1 27 LEU MD1 1 41 PHE HB3 . . 5.480 2.433 2.105 4.620 . 0 0 "[ . 1 . 2]" 1
525 1 27 LEU MD1 1 41 PHE QD . . 5.230 3.118 2.629 4.568 . 0 0 "[ . 1 . 2]" 1
526 1 27 LEU MD1 1 64 SER QB . . 5.050 3.977 3.243 4.139 . 0 0 "[ . 1 . 2]" 1
527 1 27 LEU MD2 1 41 PHE HB2 . . 5.480 4.179 2.634 4.443 . 0 0 "[ . 1 . 2]" 1
528 1 27 LEU MD2 1 41 PHE HB3 . . 5.480 4.158 2.420 4.520 . 0 0 "[ . 1 . 2]" 1
529 1 27 LEU MD2 1 41 PHE QD . . 5.230 4.457 3.317 4.825 . 0 0 "[ . 1 . 2]" 1
530 1 27 LEU MD2 1 64 SER QB . . 5.050 3.158 2.614 4.304 . 0 0 "[ . 1 . 2]" 1
531 1 27 LEU HG 1 28 TYR H . . 4.250 4.215 4.038 4.318 0.068 5 0 "[ . 1 . 2]" 1
532 1 27 LEU HG 1 64 SER QB . . 4.510 2.789 2.317 4.558 0.048 5 0 "[ . 1 . 2]" 1
533 1 28 TYR H 1 28 TYR HB2 . . 3.340 2.443 2.293 2.605 . 0 0 "[ . 1 . 2]" 1
534 1 28 TYR H 1 28 TYR HB3 . . 3.440 2.424 2.340 2.619 . 0 0 "[ . 1 . 2]" 1
535 1 28 TYR H 1 28 TYR QD . . 4.420 4.136 4.074 4.224 . 0 0 "[ . 1 . 2]" 1
536 1 28 TYR H 1 29 GLN H . . 3.830 2.858 2.731 2.931 . 0 0 "[ . 1 . 2]" 1
537 1 28 TYR H 1 64 SER HA . . 4.440 4.492 4.253 4.561 0.121 6 0 "[ . 1 . 2]" 1
538 1 28 TYR HA 1 28 TYR QD . . 3.040 2.656 2.177 3.054 0.014 5 0 "[ . 1 . 2]" 1
539 1 28 TYR HA 1 31 MET H . . 4.910 3.595 3.302 3.774 . 0 0 "[ . 1 . 2]" 1
540 1 28 TYR HA 1 31 MET HB2 . . 4.540 3.085 2.721 3.203 . 0 0 "[ . 1 . 2]" 1
541 1 28 TYR HA 1 31 MET HB3 . . 4.740 4.714 4.338 4.799 0.059 10 0 "[ . 1 . 2]" 1
542 1 28 TYR HA 1 31 MET QG . . 4.980 4.094 3.448 4.531 . 0 0 "[ . 1 . 2]" 1
543 1 28 TYR HB2 1 29 GLN H . . 4.280 3.837 3.705 4.075 . 0 0 "[ . 1 . 2]" 1
544 1 28 TYR HB3 1 29 GLN H . . 3.870 2.454 2.290 2.736 . 0 0 "[ . 1 . 2]" 1
545 1 28 TYR HB3 1 30 ALA H . . 5.290 4.840 4.649 5.049 . 0 0 "[ . 1 . 2]" 1
546 1 28 TYR QD 1 29 GLN H . . 4.500 3.444 3.073 4.095 . 0 0 "[ . 1 . 2]" 1
547 1 28 TYR QD 1 32 ILE MD . . 3.940 2.823 2.449 3.438 . 0 0 "[ . 1 . 2]" 1
548 1 28 TYR QD 1 32 ILE HG12 . . 4.490 4.506 4.039 4.579 0.089 19 0 "[ . 1 . 2]" 1
549 1 28 TYR QD 1 64 SER HA . . 4.150 3.331 2.570 4.188 0.038 3 0 "[ . 1 . 2]" 1
550 1 28 TYR QD 1 64 SER QB . . 3.910 3.547 3.165 3.925 0.015 5 0 "[ . 1 . 2]" 1
551 1 28 TYR QD 1 67 ARG HB2 . . 3.720 3.565 2.608 3.787 0.067 1 0 "[ . 1 . 2]" 1
552 1 28 TYR QD 1 67 ARG HB3 . . 4.090 2.443 1.851 3.675 . 0 0 "[ . 1 . 2]" 1
553 1 28 TYR QD 1 67 ARG QD . . 4.030 3.620 2.781 4.271 0.241 5 0 "[ . 1 . 2]" 1
554 1 28 TYR QD 1 67 ARG QG . . 4.150 3.341 2.416 4.194 0.044 9 0 "[ . 1 . 2]" 1
555 1 28 TYR QD 1 68 TYR H . . 5.020 3.479 3.188 4.100 . 0 0 "[ . 1 . 2]" 1
556 1 28 TYR QE 1 32 ILE MD . . 3.730 2.225 1.854 2.751 . 0 0 "[ . 1 . 2]" 1
557 1 28 TYR QE 1 32 ILE HG12 . . 4.450 3.946 2.922 4.314 . 0 0 "[ . 1 . 2]" 1
558 1 28 TYR QE 1 67 ARG HB2 . . 3.870 3.831 2.119 4.094 0.224 18 0 "[ . 1 . 2]" 1
559 1 28 TYR QE 1 67 ARG HB3 . . 4.310 2.452 2.105 3.085 . 0 0 "[ . 1 . 2]" 1
560 1 28 TYR QE 1 67 ARG QG . . 3.880 2.628 1.839 3.885 0.005 8 0 "[ . 1 . 2]" 1
561 1 28 TYR QE 1 68 TYR H . . 4.310 2.709 2.278 3.487 . 0 0 "[ . 1 . 2]" 1
562 1 28 TYR QE 1 68 TYR HA . . 3.260 2.314 2.016 2.678 . 0 0 "[ . 1 . 2]" 1
563 1 28 TYR QE 1 68 TYR QB . . 3.770 2.881 2.170 3.538 . 0 0 "[ . 1 . 2]" 1
564 1 29 GLN H 1 29 GLN QB . . 3.450 2.278 2.250 2.311 . 0 0 "[ . 1 . 2]" 1
565 1 29 GLN H 1 29 GLN QG . . 4.290 4.074 4.050 4.097 . 0 0 "[ . 1 . 2]" 1
566 1 29 GLN H 1 30 ALA H . . 3.590 2.651 2.581 2.693 . 0 0 "[ . 1 . 2]" 1
567 1 29 GLN HA 1 29 GLN QE . . 5.290 3.783 3.673 3.864 . 0 0 "[ . 1 . 2]" 1
568 1 29 GLN HA 1 32 ILE H . . 3.930 2.973 2.848 3.153 . 0 0 "[ . 1 . 2]" 1
569 1 29 GLN HA 1 32 ILE HB . . 3.740 2.500 2.233 2.828 . 0 0 "[ . 1 . 2]" 1
570 1 29 GLN HA 1 32 ILE MD . . 3.640 2.207 1.973 2.451 . 0 0 "[ . 1 . 2]" 1
571 1 29 GLN HA 1 32 ILE HG12 . . 5.070 3.964 3.800 4.138 . 0 0 "[ . 1 . 2]" 1
572 1 29 GLN HA 1 32 ILE HG13 . . 4.520 2.446 2.282 2.633 . 0 0 "[ . 1 . 2]" 1
573 1 29 GLN HA 1 32 ILE MG . . 4.290 3.875 3.703 4.144 . 0 0 "[ . 1 . 2]" 1
574 1 29 GLN QB 1 30 ALA H . . 4.090 2.856 2.683 2.993 . 0 0 "[ . 1 . 2]" 1
575 1 29 GLN QE 1 32 ILE MD . . 4.720 3.544 3.304 3.857 . 0 0 "[ . 1 . 2]" 1
576 1 29 GLN QE 1 32 ILE MG . . 3.840 2.934 2.555 3.236 . 0 0 "[ . 1 . 2]" 1
577 1 29 GLN QE 1 33 ILE MG . . 4.080 3.900 3.827 4.047 . 0 0 "[ . 1 . 2]" 1
578 1 29 GLN HE21 1 32 ILE MG . . 4.390 4.096 3.701 4.375 . 0 0 "[ . 1 . 2]" 1
579 1 29 GLN HE21 1 33 ILE MG . . 4.690 4.132 4.029 4.329 . 0 0 "[ . 1 . 2]" 1
580 1 29 GLN HE22 1 32 ILE MG . . 4.390 3.007 2.604 3.334 . 0 0 "[ . 1 . 2]" 1
581 1 29 GLN HE22 1 33 ILE MG . . 4.690 4.789 4.738 4.861 0.171 18 0 "[ . 1 . 2]" 1
582 1 29 GLN QG 1 33 ILE MD . . 4.320 2.381 2.154 2.950 . 0 0 "[ . 1 . 2]" 1
583 1 29 GLN HG2 1 33 ILE MD . . 5.040 3.413 3.169 3.932 . 0 0 "[ . 1 . 2]" 1
584 1 29 GLN HG3 1 33 ILE MD . . 5.040 2.432 2.191 3.048 . 0 0 "[ . 1 . 2]" 1
585 1 30 ALA H 1 30 ALA MB . . 3.260 2.167 2.104 2.207 . 0 0 "[ . 1 . 2]" 1
586 1 30 ALA H 1 31 MET H . . 3.590 2.725 2.623 2.811 . 0 0 "[ . 1 . 2]" 1
587 1 30 ALA HA 1 33 ILE H . . 4.200 3.668 3.402 3.792 . 0 0 "[ . 1 . 2]" 1
588 1 30 ALA HA 1 33 ILE HB . . 4.380 3.234 2.875 3.422 . 0 0 "[ . 1 . 2]" 1
589 1 30 ALA HA 1 33 ILE MD . . 4.380 3.199 2.648 4.414 0.034 18 0 "[ . 1 . 2]" 1
590 1 30 ALA HA 1 33 ILE QG . . 4.680 3.437 2.723 3.639 . 0 0 "[ . 1 . 2]" 1
591 1 30 ALA HA 1 33 ILE MG . . 4.770 4.541 4.072 4.737 . 0 0 "[ . 1 . 2]" 1
592 1 30 ALA HA 1 34 THR H . . 5.240 4.340 4.140 4.510 . 0 0 "[ . 1 . 2]" 1
593 1 30 ALA HA 1 41 PHE QD . . 5.280 4.283 4.142 4.379 . 0 0 "[ . 1 . 2]" 1
594 1 30 ALA MB 1 31 MET H . . 3.930 2.518 2.417 2.573 . 0 0 "[ . 1 . 2]" 1
595 1 30 ALA MB 1 41 PHE QD . . 3.450 2.036 1.873 2.211 . 0 0 "[ . 1 . 2]" 1
596 1 30 ALA MB 1 42 LEU H . . 4.890 4.964 4.917 5.018 0.128 14 0 "[ . 1 . 2]" 1
597 1 31 MET H 1 31 MET HB2 . . 3.520 2.264 2.208 2.428 . 0 0 "[ . 1 . 2]" 1
598 1 31 MET H 1 31 MET HB3 . . 3.420 3.511 3.491 3.531 0.111 3 0 "[ . 1 . 2]" 1
599 1 31 MET H 1 31 MET QG . . 3.530 2.696 2.218 2.880 . 0 0 "[ . 1 . 2]" 1
600 1 31 MET H 1 32 ILE H . . 3.460 2.585 2.525 2.663 . 0 0 "[ . 1 . 2]" 1
601 1 31 MET H 1 41 PHE QD . . 5.240 5.144 4.850 5.284 0.044 5 0 "[ . 1 . 2]" 1
602 1 31 MET HA 1 31 MET QG . . 3.990 2.365 2.259 2.718 . 0 0 "[ . 1 . 2]" 1
603 1 31 MET HA 1 33 ILE H . . 4.700 4.369 4.168 4.645 . 0 0 "[ . 1 . 2]" 1
604 1 31 MET HA 1 34 THR H . . 4.880 3.354 3.166 3.702 . 0 0 "[ . 1 . 2]" 1
605 1 31 MET HA 1 35 LYS H . . 5.070 3.263 2.938 3.708 . 0 0 "[ . 1 . 2]" 1
606 1 31 MET HA 1 41 PHE QE . . 4.340 3.320 2.904 3.742 . 0 0 "[ . 1 . 2]" 1
607 1 31 MET HB2 1 32 ILE H . . 4.530 3.013 2.805 3.108 . 0 0 "[ . 1 . 2]" 1
608 1 31 MET HB2 1 64 SER QB . . 4.650 3.625 3.187 4.172 . 0 0 "[ . 1 . 2]" 1
609 1 31 MET HB3 1 32 ILE H . . 4.230 3.653 3.571 3.932 . 0 0 "[ . 1 . 2]" 1
610 1 31 MET HB3 1 65 TRP HE3 . . 4.860 2.367 1.961 2.870 . 0 0 "[ . 1 . 2]" 1
611 1 31 MET ME 1 31 MET QG . . 3.400 2.121 2.029 2.282 . 0 0 "[ . 1 . 2]" 1
612 1 31 MET ME 1 37 SER HA . . 3.750 2.332 1.836 3.064 . 0 0 "[ . 1 . 2]" 1
613 1 31 MET ME 1 37 SER HB2 . . 4.770 3.969 2.942 4.786 0.016 8 0 "[ . 1 . 2]" 1
614 1 31 MET ME 1 37 SER QB . . 4.100 3.213 2.367 3.924 . 0 0 "[ . 1 . 2]" 1
615 1 31 MET ME 1 37 SER HB3 . . 4.770 3.616 2.395 4.606 . 0 0 "[ . 1 . 2]" 1
616 1 31 MET ME 1 39 GLY H . . 5.390 5.061 4.149 5.442 0.052 3 0 "[ . 1 . 2]" 1
617 1 31 MET ME 1 41 PHE QD . . 4.000 4.025 3.592 4.105 0.105 15 0 "[ . 1 . 2]" 1
618 1 31 MET ME 1 41 PHE QE . . 4.740 3.202 2.725 3.424 . 0 0 "[ . 1 . 2]" 1
619 1 31 MET ME 1 61 LEU HA . . 3.170 2.547 2.103 3.182 0.012 15 0 "[ . 1 . 2]" 1
620 1 31 MET ME 1 61 LEU MD1 . . 3.910 3.068 2.741 3.305 . 0 0 "[ . 1 . 2]" 1
621 1 31 MET ME 1 61 LEU MD2 . . 2.940 1.925 1.809 2.471 . 0 0 "[ . 1 . 2]" 1
622 1 31 MET ME 1 64 SER H . . 4.350 4.268 3.662 4.419 0.069 3 0 "[ . 1 . 2]" 1
623 1 31 MET ME 1 64 SER QB . . 3.980 3.103 2.193 3.969 . 0 0 "[ . 1 . 2]" 1
624 1 31 MET ME 1 65 TRP H . . 4.000 3.256 2.762 3.591 . 0 0 "[ . 1 . 2]" 1
625 1 31 MET ME 1 65 TRP HA . . 4.670 4.163 3.534 4.557 . 0 0 "[ . 1 . 2]" 1
626 1 31 MET ME 1 65 TRP QB . . 3.690 2.399 1.988 2.737 . 0 0 "[ . 1 . 2]" 1
627 1 31 MET ME 1 65 TRP HE3 . . 3.980 3.589 2.594 3.989 0.009 2 0 "[ . 1 . 2]" 1
628 1 31 MET QG 1 32 ILE H . . 4.640 4.431 4.200 4.518 . 0 0 "[ . 1 . 2]" 1
629 1 31 MET QG 1 35 LYS H . . 5.390 4.936 4.495 5.396 0.006 19 0 "[ . 1 . 2]" 1
630 1 31 MET QG 1 36 SER H . . 5.500 4.878 4.337 5.633 0.133 19 0 "[ . 1 . 2]" 1
631 1 31 MET QG 1 41 PHE QD . . 5.180 4.285 3.634 4.736 . 0 0 "[ . 1 . 2]" 1
632 1 31 MET QG 1 41 PHE QE . . 4.740 3.326 3.017 4.078 . 0 0 "[ . 1 . 2]" 1
633 1 31 MET QG 1 61 LEU HB3 . . 4.100 4.269 4.166 4.335 0.235 8 0 "[ . 1 . 2]" 1
634 1 31 MET QG 1 65 TRP HE3 . . 4.620 3.454 2.898 4.639 0.019 15 0 "[ . 1 . 2]" 1
635 1 32 ILE H 1 32 ILE HB . . 3.410 2.598 2.514 2.689 . 0 0 "[ . 1 . 2]" 1
636 1 32 ILE H 1 32 ILE MD . . 4.100 3.692 3.613 3.755 . 0 0 "[ . 1 . 2]" 1
637 1 32 ILE H 1 32 ILE HG12 . . 3.710 3.374 3.287 3.560 . 0 0 "[ . 1 . 2]" 1
638 1 32 ILE H 1 32 ILE HG13 . . 3.640 2.195 2.091 2.364 . 0 0 "[ . 1 . 2]" 1
639 1 32 ILE H 1 32 ILE MG . . 4.230 3.814 3.793 3.838 . 0 0 "[ . 1 . 2]" 1
640 1 32 ILE H 1 33 ILE H . . 3.630 2.658 2.508 2.769 . 0 0 "[ . 1 . 2]" 1
641 1 32 ILE H 1 68 TYR QE . . 4.740 4.024 3.389 4.493 . 0 0 "[ . 1 . 2]" 1
642 1 32 ILE HA 1 32 ILE MD . . 3.890 3.831 3.793 3.861 . 0 0 "[ . 1 . 2]" 1
643 1 32 ILE HA 1 32 ILE HG12 . . 3.730 2.562 2.484 2.639 . 0 0 "[ . 1 . 2]" 1
644 1 32 ILE HA 1 32 ILE MG . . 3.590 2.423 2.339 2.494 . 0 0 "[ . 1 . 2]" 1
645 1 32 ILE HA 1 68 TYR QD . . 4.390 3.616 3.041 4.231 . 0 0 "[ . 1 . 2]" 1
646 1 32 ILE HA 1 68 TYR QE . . 3.370 1.924 1.786 2.217 . 0 0 "[ . 1 . 2]" 1
647 1 32 ILE HB 1 32 ILE MD . . 3.700 2.452 2.431 2.475 . 0 0 "[ . 1 . 2]" 1
648 1 32 ILE HB 1 33 ILE H . . 4.160 2.543 2.188 2.814 . 0 0 "[ . 1 . 2]" 1
649 1 32 ILE HB 1 68 TYR QE . . 5.500 4.264 4.067 4.459 . 0 0 "[ . 1 . 2]" 1
650 1 32 ILE MD 1 32 ILE MG . . 2.900 1.879 1.822 1.909 . 0 0 "[ . 1 . 2]" 1
651 1 32 ILE MD 1 68 TYR QD . . 4.260 3.682 3.128 4.092 . 0 0 "[ . 1 . 2]" 1
652 1 32 ILE MD 1 68 TYR QE . . 4.000 3.781 3.296 4.061 0.061 18 0 "[ . 1 . 2]" 1
653 1 32 ILE HG12 1 32 ILE MG . . 2.400 2.420 2.403 2.441 0.041 20 0 "[ . 1 . 2]" 1
654 1 32 ILE HG12 1 68 TYR QD . . 4.290 2.542 1.893 3.350 . 0 0 "[ . 1 . 2]" 1
655 1 32 ILE HG12 1 68 TYR QE . . 3.580 2.266 1.961 2.574 . 0 0 "[ . 1 . 2]" 1
656 1 32 ILE HG13 1 68 TYR QD . . 4.790 3.218 2.905 3.504 . 0 0 "[ . 1 . 2]" 1
657 1 32 ILE HG13 1 68 TYR QE . . 4.420 3.493 2.647 3.986 . 0 0 "[ . 1 . 2]" 1
658 1 32 ILE MG 1 33 ILE H . . 4.000 3.393 3.125 3.656 . 0 0 "[ . 1 . 2]" 1
659 1 33 ILE H 1 33 ILE HB . . 3.220 2.568 2.511 2.664 . 0 0 "[ . 1 . 2]" 1
660 1 33 ILE H 1 33 ILE MD . . 4.240 3.573 3.349 3.679 . 0 0 "[ . 1 . 2]" 1
661 1 33 ILE H 1 33 ILE HG12 . . 3.800 3.122 2.171 3.345 . 0 0 "[ . 1 . 2]" 1
662 1 33 ILE H 1 33 ILE QG . . 3.310 2.042 1.904 2.172 . 0 0 "[ . 1 . 2]" 1
663 1 33 ILE H 1 33 ILE HG13 . . 3.800 2.203 1.922 3.581 . 0 0 "[ . 1 . 2]" 1
664 1 33 ILE H 1 33 ILE MG . . 3.590 3.710 3.692 3.728 0.138 8 0 "[ . 1 . 2]" 1
665 1 33 ILE H 1 68 TYR QE . . 5.160 5.231 5.160 5.276 0.116 20 0 "[ . 1 . 2]" 1
666 1 33 ILE HA 1 33 ILE MD . . 3.690 3.613 2.147 3.790 0.100 14 0 "[ . 1 . 2]" 1
667 1 33 ILE HA 1 33 ILE QG . . 3.740 2.442 2.337 2.926 . 0 0 "[ . 1 . 2]" 1
668 1 33 ILE HA 1 33 ILE MG . . 3.390 2.299 2.253 2.367 . 0 0 "[ . 1 . 2]" 1
669 1 33 ILE HB 1 33 ILE MD . . 3.390 2.503 2.392 3.234 . 0 0 "[ . 1 . 2]" 1
670 1 33 ILE HB 1 34 THR H . . 3.840 2.697 2.548 2.860 . 0 0 "[ . 1 . 2]" 1
671 1 33 ILE MD 1 33 ILE MG . . 2.400 1.854 1.811 1.879 . 0 0 "[ . 1 . 2]" 1
672 1 33 ILE QG 1 34 THR H . . 4.210 3.980 3.919 4.042 . 0 0 "[ . 1 . 2]" 1
673 1 33 ILE HG12 1 33 ILE MG . . 3.570 2.386 2.267 3.123 . 0 0 "[ . 1 . 2]" 1
674 1 33 ILE HG13 1 33 ILE MG . . 3.570 3.058 2.315 3.154 . 0 0 "[ . 1 . 2]" 1
675 1 33 ILE MG 1 34 THR H . . 4.110 3.533 3.320 3.673 . 0 0 "[ . 1 . 2]" 1
676 1 34 THR H 1 34 THR HB . . 4.030 3.603 3.540 3.695 . 0 0 "[ . 1 . 2]" 1
677 1 34 THR H 1 34 THR HG1 . . 3.690 2.251 2.165 2.332 . 0 0 "[ . 1 . 2]" 1
678 1 34 THR H 1 34 THR MG . . 3.470 2.434 2.336 2.580 . 0 0 "[ . 1 . 2]" 1
679 1 34 THR H 1 35 LYS H . . 3.360 2.376 2.240 2.462 . 0 0 "[ . 1 . 2]" 1
680 1 34 THR H 1 36 SER H . . 4.200 4.226 4.047 4.323 0.123 14 0 "[ . 1 . 2]" 1
681 1 34 THR HA 1 34 THR MG . . 3.200 2.331 2.300 2.387 . 0 0 "[ . 1 . 2]" 1
682 1 34 THR HA 1 36 SER H . . 4.300 4.079 3.936 4.200 . 0 0 "[ . 1 . 2]" 1
683 1 34 THR HB 1 35 LYS H . . 4.400 3.701 3.552 3.831 . 0 0 "[ . 1 . 2]" 1
684 1 34 THR HB 1 36 SER H . . 4.220 2.762 2.599 2.952 . 0 0 "[ . 1 . 2]" 1
685 1 34 THR HB 1 36 SER HB2 . . 4.800 3.030 2.574 3.811 . 0 0 "[ . 1 . 2]" 1
686 1 34 THR HB 1 36 SER HB3 . . 4.800 3.508 2.607 4.300 . 0 0 "[ . 1 . 2]" 1
687 1 34 THR HG1 1 35 LYS H . . 4.430 3.098 2.886 3.370 . 0 0 "[ . 1 . 2]" 1
688 1 34 THR HG1 1 36 SER H . . 3.820 3.582 3.222 3.820 0.000 14 0 "[ . 1 . 2]" 1
689 1 34 THR MG 1 35 LYS H . . 3.960 3.954 3.883 4.023 0.063 10 0 "[ . 1 . 2]" 1
690 1 34 THR MG 1 36 SER H . . 4.430 4.137 3.991 4.270 . 0 0 "[ . 1 . 2]" 1
691 1 34 THR MG 1 36 SER HB2 . . 5.430 4.403 3.960 5.244 . 0 0 "[ . 1 . 2]" 1
692 1 34 THR MG 1 36 SER QB . . 4.770 3.934 3.473 4.221 . 0 0 "[ . 1 . 2]" 1
693 1 34 THR MG 1 36 SER HB3 . . 5.430 4.765 3.735 5.455 0.025 8 0 "[ . 1 . 2]" 1
694 1 34 THR MG 1 41 PHE QD . . 3.950 3.808 3.529 3.966 0.016 20 0 "[ . 1 . 2]" 1
695 1 34 THR MG 1 41 PHE QE . . 4.500 2.245 2.112 2.526 . 0 0 "[ . 1 . 2]" 1
696 1 35 LYS H 1 35 LYS QE . . 5.500 4.761 3.206 5.193 . 0 0 "[ . 1 . 2]" 1
697 1 35 LYS H 1 35 LYS HG2 . . 4.630 3.812 2.980 4.691 0.061 15 0 "[ . 1 . 2]" 1
698 1 35 LYS H 1 35 LYS QG . . 3.880 3.115 2.720 3.977 0.097 15 0 "[ . 1 . 2]" 1
699 1 35 LYS H 1 35 LYS HG3 . . 4.630 3.373 2.793 4.482 . 0 0 "[ . 1 . 2]" 1
700 1 35 LYS H 1 36 SER H . . 3.720 2.632 2.571 2.711 . 0 0 "[ . 1 . 2]" 1
701 1 35 LYS H 1 68 TYR QE . . 5.050 4.862 4.254 5.134 0.084 4 0 "[ . 1 . 2]" 1
702 1 35 LYS HA 1 35 LYS QD . . 4.150 4.065 3.442 4.193 0.043 4 0 "[ . 1 . 2]" 1
703 1 35 LYS HA 1 35 LYS QG . . 3.710 2.423 2.310 2.866 . 0 0 "[ . 1 . 2]" 1
704 1 35 LYS HA 1 68 TYR QE . . 4.280 3.988 3.443 4.389 0.109 5 0 "[ . 1 . 2]" 1
705 1 35 LYS QB 1 35 LYS QD . . 3.400 2.322 2.119 2.412 . 0 0 "[ . 1 . 2]" 1
706 1 35 LYS QB 1 36 SER H . . 4.650 3.635 3.452 3.821 . 0 0 "[ . 1 . 2]" 1
707 1 35 LYS QD 1 35 LYS QG . . 2.220 2.020 1.997 2.093 . 0 0 "[ . 1 . 2]" 1
708 1 35 LYS QG 1 36 SER H . . 5.190 4.403 4.285 4.480 . 0 0 "[ . 1 . 2]" 1
709 1 36 SER QB 1 39 GLY H . . 5.050 4.251 2.652 5.116 0.066 15 0 "[ . 1 . 2]" 1
710 1 36 SER HB2 1 38 LYS H . . 4.580 3.807 2.643 4.618 0.038 5 0 "[ . 1 . 2]" 1
711 1 36 SER HB3 1 38 LYS H . . 4.580 3.160 2.454 4.030 . 0 0 "[ . 1 . 2]" 1
712 1 37 SER H 1 38 LYS H . . 4.020 3.019 2.565 3.727 . 0 0 "[ . 1 . 2]" 1
713 1 37 SER QB 1 65 TRP HE3 . . 4.600 3.823 2.576 4.646 0.046 19 0 "[ . 1 . 2]" 1
714 1 38 LYS H 1 38 LYS HB2 . . 4.170 3.282 2.619 4.014 . 0 0 "[ . 1 . 2]" 1
715 1 38 LYS H 1 38 LYS QB . . 3.410 2.818 2.282 3.288 . 0 0 "[ . 1 . 2]" 1
716 1 38 LYS H 1 38 LYS HB3 . . 4.170 3.306 2.387 3.837 . 0 0 "[ . 1 . 2]" 1
717 1 38 LYS H 1 38 LYS HG2 . . 4.870 3.530 1.958 4.531 . 0 0 "[ . 1 . 2]" 1
718 1 38 LYS H 1 38 LYS QG . . 4.020 3.183 1.935 4.137 0.117 6 0 "[ . 1 . 2]" 1
719 1 38 LYS H 1 38 LYS HG3 . . 4.870 3.892 2.933 4.804 . 0 0 "[ . 1 . 2]" 1
720 1 38 LYS H 1 39 GLY H . . 3.890 3.318 1.699 4.017 0.127 14 0 "[ . 1 . 2]" 1
721 1 38 LYS H 1 61 LEU MD2 . . 5.160 5.235 5.186 5.280 0.120 1 0 "[ . 1 . 2]" 1
722 1 38 LYS HA 1 38 LYS QD . . 4.670 3.833 2.083 4.561 . 0 0 "[ . 1 . 2]" 1
723 1 38 LYS HA 1 38 LYS QE . . 5.500 4.377 2.172 5.572 0.072 4 0 "[ . 1 . 2]" 1
724 1 38 LYS HA 1 39 GLY H . . 3.500 2.559 2.013 3.291 . 0 0 "[ . 1 . 2]" 1
725 1 38 LYS QB 1 38 LYS QE . . 3.930 2.825 1.929 3.636 . 0 0 "[ . 1 . 2]" 1
726 1 38 LYS QB 1 38 LYS QG . . 2.370 2.065 1.977 2.100 . 0 0 "[ . 1 . 2]" 1
727 1 38 LYS HB2 1 39 GLY H . . 4.810 3.918 2.379 4.596 . 0 0 "[ . 1 . 2]" 1
728 1 38 LYS HB3 1 39 GLY H . . 4.810 3.653 1.909 4.538 . 0 0 "[ . 1 . 2]" 1
729 1 38 LYS QG 1 39 GLY H . . 5.340 3.433 2.210 4.602 . 0 0 "[ . 1 . 2]" 1
730 1 39 GLY H 1 40 ASP H . . 4.610 4.364 4.120 4.558 . 0 0 "[ . 1 . 2]" 1
731 1 39 GLY H 1 41 PHE QD . . 4.650 3.811 2.724 4.277 . 0 0 "[ . 1 . 2]" 1
732 1 39 GLY QA 1 40 ASP QB . . 4.550 4.068 3.784 4.262 . 0 0 "[ . 1 . 2]" 1
733 1 39 GLY HA2 1 40 ASP H . . 3.380 2.751 2.534 2.955 . 0 0 "[ . 1 . 2]" 1
734 1 39 GLY HA2 1 40 ASP QB . . 5.170 4.554 4.127 4.950 . 0 0 "[ . 1 . 2]" 1
735 1 39 GLY HA3 1 40 ASP H . . 3.380 2.451 2.297 2.657 . 0 0 "[ . 1 . 2]" 1
736 1 39 GLY HA3 1 40 ASP QB . . 5.170 4.600 4.379 4.727 . 0 0 "[ . 1 . 2]" 1
737 1 40 ASP H 1 40 ASP QB . . 3.350 2.426 2.298 2.523 . 0 0 "[ . 1 . 2]" 1
738 1 40 ASP HA 1 41 PHE H . . 3.180 2.053 2.016 2.096 . 0 0 "[ . 1 . 2]" 1
739 1 40 ASP QB 1 41 PHE H . . 4.180 3.563 3.350 3.872 . 0 0 "[ . 1 . 2]" 1
740 1 40 ASP QB 1 42 LEU MD1 . . 5.000 4.117 3.125 5.007 0.007 8 0 "[ . 1 . 2]" 1
741 1 40 ASP QB 1 42 LEU QD . . 4.080 3.415 2.403 4.129 0.049 8 0 "[ . 1 . 2]" 1
742 1 40 ASP QB 1 42 LEU MD2 . . 5.000 3.687 2.498 4.589 . 0 0 "[ . 1 . 2]" 1
743 1 41 PHE H 1 41 PHE QB . . 3.510 2.563 2.477 2.611 . 0 0 "[ . 1 . 2]" 1
744 1 41 PHE H 1 41 PHE QD . . 3.980 3.220 2.818 3.416 . 0 0 "[ . 1 . 2]" 1
745 1 41 PHE H 1 55 ALA MB . . 4.870 4.119 3.520 4.872 0.002 3 0 "[ . 1 . 2]" 1
746 1 41 PHE HA 1 41 PHE QD . . 4.220 2.563 2.447 2.779 . 0 0 "[ . 1 . 2]" 1
747 1 41 PHE HA 1 42 LEU H . . 3.220 2.125 2.093 2.184 . 0 0 "[ . 1 . 2]" 1
748 1 41 PHE QB 1 42 LEU H . . 4.130 3.309 3.139 3.491 . 0 0 "[ . 1 . 2]" 1
749 1 41 PHE QB 1 43 ILE MD . . 4.500 3.775 2.995 4.019 . 0 0 "[ . 1 . 2]" 1
750 1 41 PHE QB 1 56 ALA H . . 4.350 3.116 2.808 3.399 . 0 0 "[ . 1 . 2]" 1
751 1 41 PHE QB 1 56 ALA MB . . 3.690 2.131 1.987 2.388 . 0 0 "[ . 1 . 2]" 1
752 1 41 PHE HB2 1 42 LEU H . . 4.830 4.227 4.099 4.333 . 0 0 "[ . 1 . 2]" 1
753 1 41 PHE HB2 1 43 ILE MD . . 5.220 4.600 3.894 4.817 . 0 0 "[ . 1 . 2]" 1
754 1 41 PHE HB2 1 56 ALA H . . 4.960 3.207 2.867 3.511 . 0 0 "[ . 1 . 2]" 1
755 1 41 PHE HB2 1 56 ALA MB . . 4.330 2.190 2.031 2.462 . 0 0 "[ . 1 . 2]" 1
756 1 41 PHE HB3 1 42 LEU H . . 4.830 3.458 3.251 3.688 . 0 0 "[ . 1 . 2]" 1
757 1 41 PHE HB3 1 43 ILE MD . . 5.220 4.019 3.113 4.420 . 0 0 "[ . 1 . 2]" 1
758 1 41 PHE HB3 1 56 ALA H . . 4.960 4.246 3.982 4.634 . 0 0 "[ . 1 . 2]" 1
759 1 41 PHE HB3 1 56 ALA MB . . 4.330 2.937 2.607 3.339 . 0 0 "[ . 1 . 2]" 1
760 1 41 PHE QD 1 42 LEU H . . 4.790 4.160 4.019 4.328 . 0 0 "[ . 1 . 2]" 1
761 1 41 PHE QD 1 56 ALA H . . 5.280 4.809 4.423 5.143 . 0 0 "[ . 1 . 2]" 1
762 1 41 PHE QD 1 56 ALA MB . . 4.990 3.180 2.877 3.572 . 0 0 "[ . 1 . 2]" 1
763 1 41 PHE QD 1 61 LEU MD1 . . 4.480 2.652 2.147 3.353 . 0 0 "[ . 1 . 2]" 1
764 1 41 PHE QD 1 61 LEU MD2 . . 3.610 2.139 1.899 2.370 . 0 0 "[ . 1 . 2]" 1
765 1 42 LEU H 1 42 LEU MD1 . . 4.680 4.063 3.927 4.173 . 0 0 "[ . 1 . 2]" 1
766 1 42 LEU H 1 42 LEU MD2 . . 4.680 3.590 2.642 3.791 . 0 0 "[ . 1 . 2]" 1
767 1 42 LEU H 1 42 LEU HG . . 4.500 2.995 2.719 4.463 . 0 0 "[ . 1 . 2]" 1
768 1 42 LEU H 1 43 ILE H . . 4.760 4.285 4.247 4.327 . 0 0 "[ . 1 . 2]" 1
769 1 42 LEU H 1 53 TRP HB3 . . 5.480 5.348 5.212 5.471 . 0 0 "[ . 1 . 2]" 1
770 1 42 LEU HA 1 42 LEU QD . . 3.320 2.116 2.080 2.157 . 0 0 "[ . 1 . 2]" 1
771 1 42 LEU HB2 1 43 ILE H . . 5.200 4.127 4.089 4.224 . 0 0 "[ . 1 . 2]" 1
772 1 42 LEU HB2 1 53 TRP HB2 . . 4.340 4.368 4.239 4.453 0.113 6 0 "[ . 1 . 2]" 1
773 1 42 LEU HB2 1 53 TRP HB3 . . 4.340 2.830 2.718 3.054 . 0 0 "[ . 1 . 2]" 1
774 1 42 LEU HB2 1 53 TRP HE3 . . 5.010 3.549 3.344 3.759 . 0 0 "[ . 1 . 2]" 1
775 1 42 LEU HB3 1 42 LEU MD1 . . 3.660 2.383 2.318 2.434 . 0 0 "[ . 1 . 2]" 1
776 1 42 LEU HB3 1 42 LEU QD . . 3.050 2.113 2.086 2.268 . 0 0 "[ . 1 . 2]" 1
777 1 42 LEU HB3 1 42 LEU MD2 . . 3.660 2.385 2.295 3.217 . 0 0 "[ . 1 . 2]" 1
778 1 42 LEU HB3 1 43 ILE H . . 4.360 3.196 3.134 3.260 . 0 0 "[ . 1 . 2]" 1
779 1 42 LEU HB3 1 53 TRP HB2 . . 4.290 3.400 3.315 3.469 . 0 0 "[ . 1 . 2]" 1
780 1 42 LEU HB3 1 53 TRP HB3 . . 4.260 1.814 1.742 1.911 . 0 0 "[ . 1 . 2]" 1
781 1 42 LEU HB3 1 53 TRP HE3 . . 3.550 3.276 2.782 3.470 . 0 0 "[ . 1 . 2]" 1
782 1 42 LEU QD 1 43 ILE H . . 4.130 3.602 3.422 3.677 . 0 0 "[ . 1 . 2]" 1
783 1 42 LEU QD 1 53 TRP H . . 4.680 4.629 4.440 4.750 0.070 8 0 "[ . 1 . 2]" 1
784 1 42 LEU QD 1 53 TRP HB2 . . 4.270 2.753 2.572 2.954 . 0 0 "[ . 1 . 2]" 1
785 1 42 LEU QD 1 54 GLU H . . 5.280 3.942 3.465 4.096 . 0 0 "[ . 1 . 2]" 1
786 1 42 LEU QD 1 55 ALA H . . 4.060 3.180 2.849 3.483 . 0 0 "[ . 1 . 2]" 1
787 1 42 LEU QD 1 55 ALA HA . . 3.410 2.001 1.933 2.098 . 0 0 "[ . 1 . 2]" 1
788 1 42 LEU QD 1 55 ALA MB . . 3.660 2.551 2.191 2.715 . 0 0 "[ . 1 . 2]" 1
789 1 42 LEU QD 1 56 ALA H . . 4.370 3.452 3.175 3.672 . 0 0 "[ . 1 . 2]" 1
790 1 42 LEU MD1 1 43 ILE H . . 5.500 4.963 3.519 5.094 . 0 0 "[ . 1 . 2]" 1
791 1 42 LEU MD1 1 53 TRP HB2 . . 4.880 2.804 2.633 2.979 . 0 0 "[ . 1 . 2]" 1
792 1 42 LEU MD1 1 53 TRP HB3 . . 4.260 2.384 2.201 2.513 . 0 0 "[ . 1 . 2]" 1
793 1 42 LEU MD2 1 43 ILE H . . 5.500 3.749 3.602 4.676 . 0 0 "[ . 1 . 2]" 1
794 1 42 LEU MD2 1 53 TRP HB2 . . 4.880 4.028 3.602 4.881 0.001 6 0 "[ . 1 . 2]" 1
795 1 42 LEU MD2 1 53 TRP HB3 . . 4.260 3.311 2.940 4.123 . 0 0 "[ . 1 . 2]" 1
796 1 43 ILE H 1 43 ILE HB . . 3.680 2.617 2.591 2.676 . 0 0 "[ . 1 . 2]" 1
797 1 43 ILE H 1 43 ILE HG12 . . 4.160 3.482 2.492 3.644 . 0 0 "[ . 1 . 2]" 1
798 1 43 ILE H 1 43 ILE HG13 . . 4.240 2.713 2.592 3.918 . 0 0 "[ . 1 . 2]" 1
799 1 43 ILE H 1 43 ILE MG . . 4.240 3.825 3.810 3.836 . 0 0 "[ . 1 . 2]" 1
800 1 43 ILE H 1 53 TRP HA . . 4.870 4.153 3.936 4.309 . 0 0 "[ . 1 . 2]" 1
801 1 43 ILE H 1 53 TRP HB3 . . 5.460 4.348 4.200 4.479 . 0 0 "[ . 1 . 2]" 1
802 1 43 ILE H 1 53 TRP HE3 . . 5.170 3.778 3.521 3.925 . 0 0 "[ . 1 . 2]" 1
803 1 43 ILE H 1 54 GLU H . . 3.610 2.850 2.692 2.993 . 0 0 "[ . 1 . 2]" 1
804 1 43 ILE H 1 54 GLU QB . . 4.830 3.816 3.321 4.597 . 0 0 "[ . 1 . 2]" 1
805 1 43 ILE H 1 55 ALA HA . . 4.450 3.606 3.419 3.905 . 0 0 "[ . 1 . 2]" 1
806 1 43 ILE H 1 56 ALA H . . 4.940 3.983 3.755 4.267 . 0 0 "[ . 1 . 2]" 1
807 1 43 ILE H 1 56 ALA MB . . 5.140 4.268 4.019 4.585 . 0 0 "[ . 1 . 2]" 1
808 1 43 ILE HA 1 43 ILE MD . . 4.440 3.658 2.289 3.773 . 0 0 "[ . 1 . 2]" 1
809 1 43 ILE HA 1 43 ILE MG . . 3.670 2.363 2.296 2.415 . 0 0 "[ . 1 . 2]" 1
810 1 43 ILE HA 1 44 ARG H . . 3.210 2.156 2.083 2.245 . 0 0 "[ . 1 . 2]" 1
811 1 43 ILE HA 1 53 TRP HE3 . . 5.200 3.054 2.964 3.201 . 0 0 "[ . 1 . 2]" 1
812 1 43 ILE HA 1 53 TRP HZ3 . . 4.980 3.158 2.827 3.472 . 0 0 "[ . 1 . 2]" 1
813 1 43 ILE HB 1 43 ILE MD . . 3.430 2.664 2.582 3.229 . 0 0 "[ . 1 . 2]" 1
814 1 43 ILE HB 1 44 ARG H . . 4.320 4.014 3.811 4.134 . 0 0 "[ . 1 . 2]" 1
815 1 43 ILE HB 1 54 GLU H . . 5.260 4.066 3.675 4.185 . 0 0 "[ . 1 . 2]" 1
816 1 43 ILE HB 1 56 ALA MB . . 4.830 4.344 4.185 4.618 . 0 0 "[ . 1 . 2]" 1
817 1 43 ILE MD 1 43 ILE MG . . 2.400 1.946 1.839 2.150 . 0 0 "[ . 1 . 2]" 1
818 1 43 ILE MD 1 56 ALA H . . 4.530 4.527 4.053 4.594 0.064 3 0 "[ . 1 . 2]" 1
819 1 43 ILE MD 1 56 ALA HA . . 3.870 3.319 2.998 3.676 . 0 0 "[ . 1 . 2]" 1
820 1 43 ILE MD 1 56 ALA MB . . 3.230 2.625 2.216 2.816 . 0 0 "[ . 1 . 2]" 1
821 1 43 ILE MD 1 57 SER H . . 4.760 4.403 3.886 4.819 0.059 4 0 "[ . 1 . 2]" 1
822 1 43 ILE HG12 1 43 ILE MG . . 3.310 2.644 2.548 3.211 . 0 0 "[ . 1 . 2]" 1
823 1 43 ILE HG13 1 43 ILE MG . . 3.290 3.153 2.232 3.217 . 0 0 "[ . 1 . 2]" 1
824 1 43 ILE HG13 1 44 ARG H . . 5.170 5.133 5.036 5.226 0.056 10 0 "[ . 1 . 2]" 1
825 1 43 ILE HG13 1 56 ALA HA . . 4.660 3.538 3.075 4.109 . 0 0 "[ . 1 . 2]" 1
826 1 43 ILE MG 1 44 ARG H . . 3.890 2.436 2.320 2.586 . 0 0 "[ . 1 . 2]" 1
827 1 43 ILE MG 1 53 TRP HE3 . . 4.390 4.464 4.437 4.491 0.101 16 0 "[ . 1 . 2]" 1
828 1 44 ARG H 1 44 ARG HB2 . . 3.830 2.357 2.211 2.525 . 0 0 "[ . 1 . 2]" 1
829 1 44 ARG H 1 44 ARG HB3 . . 3.830 2.628 2.511 2.680 . 0 0 "[ . 1 . 2]" 1
830 1 44 ARG H 1 44 ARG HD2 . . 5.360 5.182 4.789 5.641 0.281 10 0 "[ . 1 . 2]" 1
831 1 44 ARG H 1 44 ARG QG . . 4.410 3.996 3.787 4.088 . 0 0 "[ . 1 . 2]" 1
832 1 44 ARG H 1 53 TRP HE3 . . 4.460 2.931 2.756 3.102 . 0 0 "[ . 1 . 2]" 1
833 1 44 ARG H 1 53 TRP HZ3 . . 4.180 2.421 2.155 2.640 . 0 0 "[ . 1 . 2]" 1
834 1 44 ARG HA 1 44 ARG HD2 . . 5.110 3.017 2.348 4.390 . 0 0 "[ . 1 . 2]" 1
835 1 44 ARG HA 1 44 ARG HD3 . . 3.850 2.800 2.053 3.978 0.128 13 0 "[ . 1 . 2]" 1
836 1 44 ARG HA 1 44 ARG QG . . 3.630 2.630 2.164 2.852 . 0 0 "[ . 1 . 2]" 1
837 1 44 ARG HA 1 45 THR H . . 3.120 2.055 1.953 2.128 . 0 0 "[ . 1 . 2]" 1
838 1 44 ARG HA 1 52 VAL H . . 5.010 4.009 3.718 4.215 . 0 0 "[ . 1 . 2]" 1
839 1 44 ARG HA 1 53 TRP HE3 . . 3.880 2.885 2.739 3.120 . 0 0 "[ . 1 . 2]" 1
840 1 44 ARG QB 1 44 ARG HE . . 4.790 3.282 2.231 3.905 . 0 0 "[ . 1 . 2]" 1
841 1 44 ARG QB 1 53 TRP HE3 . . 5.120 3.275 2.865 3.683 . 0 0 "[ . 1 . 2]" 1
842 1 44 ARG QB 1 53 TRP HH2 . . 4.240 3.255 3.012 3.471 . 0 0 "[ . 1 . 2]" 1
843 1 44 ARG QB 1 53 TRP HZ3 . . 3.870 2.324 2.110 2.528 . 0 0 "[ . 1 . 2]" 1
844 1 44 ARG HB2 1 44 ARG HD3 . . 4.030 2.321 2.112 2.508 . 0 0 "[ . 1 . 2]" 1
845 1 44 ARG HB2 1 45 THR H . . 5.310 4.235 4.149 4.282 . 0 0 "[ . 1 . 2]" 1
846 1 44 ARG HB2 1 53 TRP HZ3 . . 4.500 2.348 2.124 2.560 . 0 0 "[ . 1 . 2]" 1
847 1 44 ARG HB3 1 44 ARG HD3 . . 4.030 3.450 2.693 3.622 . 0 0 "[ . 1 . 2]" 1
848 1 44 ARG HB3 1 45 THR H . . 5.310 3.974 3.821 4.091 . 0 0 "[ . 1 . 2]" 1
849 1 44 ARG HB3 1 53 TRP HZ3 . . 4.500 3.737 3.567 3.909 . 0 0 "[ . 1 . 2]" 1
850 1 44 ARG HD2 1 45 THR H . . 5.320 3.493 2.720 5.215 . 0 0 "[ . 1 . 2]" 1
851 1 44 ARG HD2 1 51 GLN H . . 5.300 5.317 4.872 5.447 0.147 17 0 "[ . 1 . 2]" 1
852 1 44 ARG HD2 1 51 GLN HB2 . . 4.790 3.374 1.827 3.974 . 0 0 "[ . 1 . 2]" 1
853 1 44 ARG HD2 1 51 GLN QB . . 4.010 2.343 1.821 2.785 . 0 0 "[ . 1 . 2]" 1
854 1 44 ARG HD2 1 51 GLN HB3 . . 4.790 2.618 1.918 3.649 . 0 0 "[ . 1 . 2]" 1
855 1 44 ARG HD3 1 51 GLN HB2 . . 4.920 4.670 3.380 4.972 0.052 12 0 "[ . 1 . 2]" 1
856 1 44 ARG HD3 1 51 GLN HB3 . . 4.920 3.976 3.574 5.070 0.150 18 0 "[ . 1 . 2]" 1
857 1 44 ARG HD3 1 53 TRP HE3 . . 4.740 3.795 3.439 4.767 0.027 13 0 "[ . 1 . 2]" 1
858 1 44 ARG HD3 1 53 TRP HZ2 . . 4.230 3.893 3.272 4.356 0.126 18 0 "[ . 1 . 2]" 1
859 1 44 ARG QG 1 45 THR H . . 3.590 2.791 2.500 2.937 . 0 0 "[ . 1 . 2]" 1
860 1 44 ARG QG 1 53 TRP HH2 . . 4.980 4.627 4.329 5.008 0.028 10 0 "[ . 1 . 2]" 1
861 1 44 ARG HG2 1 45 THR H . . 4.370 4.174 2.661 4.535 0.165 20 0 "[ . 1 . 2]" 1
862 1 44 ARG HG2 1 52 VAL H . . 5.060 4.800 3.359 5.163 0.103 7 0 "[ . 1 . 2]" 1
863 1 44 ARG HG3 1 45 THR H . . 4.370 2.880 2.697 3.035 . 0 0 "[ . 1 . 2]" 1
864 1 44 ARG HG3 1 52 VAL H . . 5.060 3.564 2.906 3.774 . 0 0 "[ . 1 . 2]" 1
865 1 45 THR H 1 45 THR HB . . 4.040 3.057 2.291 3.186 . 0 0 "[ . 1 . 2]" 1
866 1 45 THR H 1 45 THR MG . . 3.690 2.331 2.119 3.625 . 0 0 "[ . 1 . 2]" 1
867 1 45 THR H 1 52 VAL H . . 3.630 2.687 2.523 2.945 . 0 0 "[ . 1 . 2]" 1
868 1 45 THR H 1 52 VAL MG2 . . 4.210 3.311 3.122 3.511 . 0 0 "[ . 1 . 2]" 1
869 1 45 THR HA 1 46 LYS H . . 3.400 2.342 2.296 2.416 . 0 0 "[ . 1 . 2]" 1
870 1 45 THR HB 1 46 LYS H . . 4.370 4.002 3.878 4.143 . 0 0 "[ . 1 . 2]" 1
871 1 45 THR HB 1 52 VAL H . . 5.170 5.097 3.430 5.241 0.071 14 0 "[ . 1 . 2]" 1
872 1 45 THR HB 1 52 VAL MG2 . . 4.200 4.131 1.906 4.304 0.104 1 0 "[ . 1 . 2]" 1
873 1 45 THR MG 1 46 LYS H . . 3.910 3.412 2.584 3.592 . 0 0 "[ . 1 . 2]" 1
874 1 45 THR MG 1 47 LYS QD . . 4.380 3.473 2.350 4.328 . 0 0 "[ . 1 . 2]" 1
875 1 45 THR MG 1 47 LYS QE . . 4.800 2.986 1.878 4.467 . 0 0 "[ . 1 . 2]" 1
876 1 45 THR MG 1 52 VAL H . . 4.670 3.084 2.822 3.896 . 0 0 "[ . 1 . 2]" 1
877 1 45 THR MG 1 52 VAL HB . . 4.150 4.059 3.841 4.338 0.188 7 0 "[ . 1 . 2]" 1
878 1 45 THR MG 1 52 VAL MG2 . . 3.290 1.940 1.851 2.176 . 0 0 "[ . 1 . 2]" 1
879 1 45 THR MG 1 54 GLU HB2 . . 4.500 2.210 1.842 4.064 . 0 0 "[ . 1 . 2]" 1
880 1 45 THR MG 1 54 GLU QB . . 3.850 2.060 1.823 2.847 . 0 0 "[ . 1 . 2]" 1
881 1 45 THR MG 1 54 GLU HB3 . . 4.500 2.733 2.245 3.194 . 0 0 "[ . 1 . 2]" 1
882 1 45 THR MG 1 54 GLU QG . . 4.020 3.370 2.236 3.888 . 0 0 "[ . 1 . 2]" 1
883 1 46 LYS H 1 46 LYS QB . . 3.330 2.526 2.305 3.133 . 0 0 "[ . 1 . 2]" 1
884 1 46 LYS H 1 46 LYS QG . . 4.490 3.067 2.432 4.156 . 0 0 "[ . 1 . 2]" 1
885 1 46 LYS H 1 47 LYS H . . 4.390 4.160 4.044 4.287 . 0 0 "[ . 1 . 2]" 1
886 1 46 LYS HA 1 46 LYS QD . . 3.990 3.661 2.204 4.145 0.155 10 0 "[ . 1 . 2]" 1
887 1 46 LYS HA 1 46 LYS QE . . 5.500 4.637 3.959 5.322 . 0 0 "[ . 1 . 2]" 1
888 1 46 LYS HA 1 47 LYS H . . 2.930 2.047 1.923 2.167 . 0 0 "[ . 1 . 2]" 1
889 1 46 LYS HA 1 50 LYS H . . 4.540 4.184 3.794 4.551 0.011 8 0 "[ . 1 . 2]" 1
890 1 46 LYS HA 1 52 VAL H . . 4.050 3.423 3.084 3.944 . 0 0 "[ . 1 . 2]" 1
891 1 46 LYS HA 1 52 VAL MG2 . . 4.800 3.823 3.046 4.592 . 0 0 "[ . 1 . 2]" 1
892 1 46 LYS QB 1 46 LYS QD . . 2.400 2.247 2.082 2.500 0.100 2 0 "[ . 1 . 2]" 1
893 1 46 LYS QB 1 46 LYS QE . . 3.890 3.137 1.915 3.852 . 0 0 "[ . 1 . 2]" 1
894 1 46 LYS QB 1 47 LYS H . . 3.640 3.421 3.205 3.778 0.138 12 0 "[ . 1 . 2]" 1
895 1 46 LYS QG 1 47 LYS H . . 4.680 4.124 3.036 4.739 0.059 9 0 "[ . 1 . 2]" 1
896 1 47 LYS H 1 47 LYS QB . . 3.590 2.512 2.330 2.607 . 0 0 "[ . 1 . 2]" 1
897 1 47 LYS H 1 47 LYS QG . . 4.650 3.792 2.903 4.121 . 0 0 "[ . 1 . 2]" 1
898 1 47 LYS H 1 50 LYS H . . 3.540 2.972 2.744 3.255 . 0 0 "[ . 1 . 2]" 1
899 1 47 LYS H 1 52 VAL MG1 . . 4.900 3.909 3.507 4.399 . 0 0 "[ . 1 . 2]" 1
900 1 47 LYS H 1 52 VAL MG2 . . 4.400 3.219 2.589 3.881 . 0 0 "[ . 1 . 2]" 1
901 1 47 LYS HA 1 47 LYS QD . . 4.500 4.140 3.945 4.182 . 0 0 "[ . 1 . 2]" 1
902 1 47 LYS HA 1 47 LYS QE . . 5.070 4.017 3.679 4.620 . 0 0 "[ . 1 . 2]" 1
903 1 47 LYS QB 1 47 LYS QE . . 2.870 1.972 1.847 3.231 0.361 6 0 "[ . 1 . 2]" 1
904 1 47 LYS HB2 1 47 LYS QD . . 2.400 2.452 2.196 2.580 0.180 10 0 "[ . 1 . 2]" 1
905 1 47 LYS HB2 1 47 LYS QE . . 3.650 2.361 1.862 3.578 . 0 0 "[ . 1 . 2]" 1
906 1 47 LYS HB2 1 52 VAL MG1 . . 4.750 4.301 3.221 4.784 0.034 5 0 "[ . 1 . 2]" 1
907 1 47 LYS HB2 1 52 VAL MG2 . . 4.050 2.923 2.299 3.517 . 0 0 "[ . 1 . 2]" 1
908 1 47 LYS HB3 1 47 LYS QD . . 2.400 2.353 2.201 2.581 0.181 5 0 "[ . 1 . 2]" 1
909 1 47 LYS HB3 1 47 LYS QE . . 3.650 2.763 1.915 3.680 0.030 6 0 "[ . 1 . 2]" 1
910 1 47 LYS HB3 1 52 VAL MG1 . . 4.750 3.799 3.105 4.798 0.048 14 0 "[ . 1 . 2]" 1
911 1 47 LYS HB3 1 52 VAL MG2 . . 4.050 2.914 2.303 4.064 0.014 8 0 "[ . 1 . 2]" 1
912 1 47 LYS QE 1 47 LYS QG . . 3.490 2.480 1.959 2.839 . 0 0 "[ . 1 . 2]" 1
913 1 48 ASP HA 1 50 LYS H . . 5.050 4.379 4.227 4.520 . 0 0 "[ . 1 . 2]" 1
914 1 48 ASP QB 1 50 LYS H . . 4.970 3.620 3.178 4.004 . 0 0 "[ . 1 . 2]" 1
915 1 49 GLY H 1 50 LYS H . . 3.820 2.556 2.364 2.681 . 0 0 "[ . 1 . 2]" 1
916 1 50 LYS H 1 50 LYS QB . . 3.390 2.534 2.433 2.629 . 0 0 "[ . 1 . 2]" 1
917 1 50 LYS H 1 50 LYS QD . . 4.500 4.014 2.509 4.393 . 0 0 "[ . 1 . 2]" 1
918 1 50 LYS H 1 50 LYS QG . . 3.890 2.813 2.392 3.688 . 0 0 "[ . 1 . 2]" 1
919 1 50 LYS HA 1 50 LYS QE . . 5.500 4.593 3.849 5.138 . 0 0 "[ . 1 . 2]" 1
920 1 50 LYS HA 1 51 GLN H . . 3.240 2.247 2.134 2.375 . 0 0 "[ . 1 . 2]" 1
921 1 50 LYS QB 1 50 LYS QD . . 2.390 2.207 2.041 2.503 0.113 11 0 "[ . 1 . 2]" 1
922 1 50 LYS QB 1 51 GLN H . . 3.940 2.907 2.671 3.105 . 0 0 "[ . 1 . 2]" 1
923 1 50 LYS HB2 1 51 GLN H . . 4.480 3.988 3.818 4.157 . 0 0 "[ . 1 . 2]" 1
924 1 50 LYS HB3 1 51 GLN H . . 4.480 2.988 2.725 3.217 . 0 0 "[ . 1 . 2]" 1
925 1 50 LYS QD 1 50 LYS QG . . 2.400 2.065 2.002 2.095 . 0 0 "[ . 1 . 2]" 1
926 1 50 LYS QG 1 51 GLN H . . 4.640 4.149 3.888 4.648 0.008 19 0 "[ . 1 . 2]" 1
927 1 51 GLN H 1 51 GLN HB2 . . 3.920 2.650 2.345 3.682 . 0 0 "[ . 1 . 2]" 1
928 1 51 GLN H 1 51 GLN QB . . 3.150 2.500 2.314 3.048 . 0 0 "[ . 1 . 2]" 1
929 1 51 GLN H 1 51 GLN HB3 . . 3.920 3.513 2.886 3.664 . 0 0 "[ . 1 . 2]" 1
930 1 51 GLN H 1 51 GLN HG2 . . 4.050 3.629 2.109 4.084 0.034 8 0 "[ . 1 . 2]" 1
931 1 51 GLN H 1 51 GLN QG . . 3.540 2.820 2.075 3.544 0.004 12 0 "[ . 1 . 2]" 1
932 1 51 GLN H 1 51 GLN HG3 . . 4.050 3.106 2.209 3.888 . 0 0 "[ . 1 . 2]" 1
933 1 51 GLN HA 1 52 VAL H . . 3.290 2.104 2.001 2.184 . 0 0 "[ . 1 . 2]" 1
934 1 51 GLN QB 1 52 VAL H . . 3.880 3.196 3.024 3.340 . 0 0 "[ . 1 . 2]" 1
935 1 51 GLN HB2 1 52 VAL H . . 4.630 4.030 3.213 4.242 . 0 0 "[ . 1 . 2]" 1
936 1 51 GLN HB3 1 52 VAL H . . 4.630 3.441 3.112 4.186 . 0 0 "[ . 1 . 2]" 1
937 1 51 GLN QG 1 52 VAL H . . 4.790 4.305 3.936 4.838 0.048 16 0 "[ . 1 . 2]" 1
938 1 52 VAL H 1 52 VAL MG1 . . 4.010 3.043 2.949 3.205 . 0 0 "[ . 1 . 2]" 1
939 1 52 VAL H 1 52 VAL MG2 . . 3.520 2.269 2.180 2.364 . 0 0 "[ . 1 . 2]" 1
940 1 52 VAL HA 1 52 VAL MG1 . . 3.260 2.384 2.290 2.434 . 0 0 "[ . 1 . 2]" 1
941 1 52 VAL HA 1 53 TRP H . . 3.000 2.451 2.329 2.582 . 0 0 "[ . 1 . 2]" 1
942 1 52 VAL HB 1 53 TRP H . . 3.300 2.334 2.135 2.591 . 0 0 "[ . 1 . 2]" 1
943 1 52 VAL MG1 1 53 TRP H . . 4.270 3.649 3.425 3.787 . 0 0 "[ . 1 . 2]" 1
944 1 52 VAL MG2 1 53 TRP H . . 4.200 3.354 3.169 3.562 . 0 0 "[ . 1 . 2]" 1
945 1 52 VAL MG2 1 54 GLU HB2 . . 5.010 3.282 2.719 4.753 . 0 0 "[ . 1 . 2]" 1
946 1 52 VAL MG2 1 54 GLU HB3 . . 5.010 4.327 3.234 4.925 . 0 0 "[ . 1 . 2]" 1
947 1 53 TRP H 1 53 TRP HB2 . . 3.530 2.422 2.354 2.501 . 0 0 "[ . 1 . 2]" 1
948 1 53 TRP H 1 53 TRP HD1 . . 4.130 3.214 3.044 3.415 . 0 0 "[ . 1 . 2]" 1
949 1 53 TRP H 1 53 TRP HE3 . . 4.890 4.944 4.900 4.977 0.087 19 0 "[ . 1 . 2]" 1
950 1 53 TRP H 1 54 GLU H . . 4.830 4.343 4.243 4.457 . 0 0 "[ . 1 . 2]" 1
951 1 53 TRP HA 1 53 TRP HD1 . . 4.870 4.446 4.341 4.552 . 0 0 "[ . 1 . 2]" 1
952 1 53 TRP HA 1 53 TRP HE3 . . 3.350 2.461 2.394 2.572 . 0 0 "[ . 1 . 2]" 1
953 1 53 TRP HA 1 54 GLU H . . 3.160 2.138 2.096 2.191 . 0 0 "[ . 1 . 2]" 1
954 1 53 TRP HB2 1 53 TRP HE1 . . 5.050 4.667 4.631 4.696 . 0 0 "[ . 1 . 2]" 1
955 1 53 TRP HB2 1 54 GLU H . . 4.300 4.262 4.135 4.322 0.022 7 0 "[ . 1 . 2]" 1
956 1 53 TRP HB3 1 53 TRP HD1 . . 3.370 3.490 3.466 3.515 0.145 10 0 "[ . 1 . 2]" 1
957 1 53 TRP HB3 1 53 TRP HE3 . . 3.850 2.964 2.864 3.065 . 0 0 "[ . 1 . 2]" 1
958 1 53 TRP HE3 1 54 GLU H . . 4.170 3.581 3.235 3.955 . 0 0 "[ . 1 . 2]" 1
959 1 54 GLU H 1 54 GLU HB2 . . 3.810 3.030 2.815 3.815 0.005 16 0 "[ . 1 . 2]" 1
960 1 54 GLU H 1 54 GLU QB . . 3.340 2.439 2.295 2.987 . 0 0 "[ . 1 . 2]" 1
961 1 54 GLU H 1 54 GLU HB3 . . 3.810 2.573 2.411 3.120 . 0 0 "[ . 1 . 2]" 1
962 1 54 GLU H 1 54 GLU QG . . 4.050 3.938 2.330 4.075 0.025 4 0 "[ . 1 . 2]" 1
963 1 54 GLU HA 1 55 ALA H . . 3.420 2.208 2.134 2.246 . 0 0 "[ . 1 . 2]" 1
964 1 54 GLU QB 1 54 GLU QG . . 2.130 2.051 1.986 2.091 . 0 0 "[ . 1 . 2]" 1
965 1 54 GLU HB2 1 55 ALA H . . 4.430 4.018 2.686 4.238 . 0 0 "[ . 1 . 2]" 1
966 1 54 GLU HB3 1 55 ALA H . . 4.430 3.978 3.867 4.222 . 0 0 "[ . 1 . 2]" 1
967 1 54 GLU QG 1 55 ALA H . . 3.920 2.628 2.352 3.754 . 0 0 "[ . 1 . 2]" 1
968 1 54 GLU QG 1 56 ALA H . . 5.070 5.042 4.676 5.142 0.072 5 0 "[ . 1 . 2]" 1
969 1 54 GLU HG2 1 55 ALA H . . 4.790 3.353 2.518 4.857 0.067 16 0 "[ . 1 . 2]" 1
970 1 54 GLU HG3 1 55 ALA H . . 4.790 2.889 2.553 3.907 . 0 0 "[ . 1 . 2]" 1
971 1 55 ALA H 1 55 ALA MB . . 3.180 2.239 2.223 2.273 . 0 0 "[ . 1 . 2]" 1
972 1 55 ALA H 1 56 ALA H . . 4.570 4.530 4.487 4.561 . 0 0 "[ . 1 . 2]" 1
973 1 55 ALA HA 1 56 ALA H . . 3.350 2.127 2.088 2.191 . 0 0 "[ . 1 . 2]" 1
974 1 55 ALA MB 1 56 ALA H . . 3.710 2.885 2.706 3.096 . 0 0 "[ . 1 . 2]" 1
975 1 56 ALA H 1 56 ALA MB . . 3.300 2.225 2.204 2.248 . 0 0 "[ . 1 . 2]" 1
976 1 56 ALA HA 1 57 SER H . . 3.340 2.431 2.271 2.683 . 0 0 "[ . 1 . 2]" 1
977 1 56 ALA HA 1 61 LEU MD2 . . 4.740 4.677 4.494 4.786 0.046 9 0 "[ . 1 . 2]" 1
978 1 56 ALA MB 1 57 SER H . . 4.260 2.381 1.984 2.652 . 0 0 "[ . 1 . 2]" 1
979 1 56 ALA MB 1 61 LEU MD2 . . 3.250 2.144 1.969 2.303 . 0 0 "[ . 1 . 2]" 1
980 1 57 SER H 1 57 SER HB2 . . 4.120 2.837 2.459 3.586 . 0 0 "[ . 1 . 2]" 1
981 1 57 SER H 1 57 SER QB . . 3.420 2.420 2.233 2.759 . 0 0 "[ . 1 . 2]" 1
982 1 57 SER H 1 57 SER HB3 . . 4.120 2.868 2.343 3.667 . 0 0 "[ . 1 . 2]" 1
983 1 57 SER H 1 60 ALA H . . 4.900 3.725 3.522 3.992 . 0 0 "[ . 1 . 2]" 1
984 1 57 SER H 1 60 ALA MB . . 3.700 2.423 2.099 2.779 . 0 0 "[ . 1 . 2]" 1
985 1 57 SER H 1 61 LEU H . . 4.560 3.772 3.602 3.963 . 0 0 "[ . 1 . 2]" 1
986 1 57 SER H 1 61 LEU HB2 . . 5.090 5.209 5.128 5.254 0.164 17 0 "[ . 1 . 2]" 1
987 1 57 SER H 1 61 LEU HG . . 4.900 3.341 3.050 3.563 . 0 0 "[ . 1 . 2]" 1
988 1 57 SER HA 1 58 LYS H . . 3.480 2.278 2.158 2.353 . 0 0 "[ . 1 . 2]" 1
989 1 57 SER HA 1 61 LEU H . . 5.280 4.979 4.905 5.044 . 0 0 "[ . 1 . 2]" 1
990 1 57 SER QB 1 58 LYS H . . 4.240 3.245 2.688 3.594 . 0 0 "[ . 1 . 2]" 1
991 1 57 SER QB 1 60 ALA MB . . 4.150 2.674 1.951 3.583 . 0 0 "[ . 1 . 2]" 1
992 1 57 SER HB2 1 58 LYS H . . 4.940 3.888 2.736 4.119 . 0 0 "[ . 1 . 2]" 1
993 1 57 SER HB2 1 60 ALA MB . . 4.840 3.539 2.091 4.411 . 0 0 "[ . 1 . 2]" 1
994 1 57 SER HB3 1 58 LYS H . . 4.940 3.562 2.824 4.015 . 0 0 "[ . 1 . 2]" 1
995 1 57 SER HB3 1 60 ALA MB . . 4.840 3.163 1.966 4.466 . 0 0 "[ . 1 . 2]" 1
996 1 58 LYS H 1 58 LYS QB . . 3.650 2.396 2.162 2.573 . 0 0 "[ . 1 . 2]" 1
997 1 58 LYS H 1 58 LYS QG . . 4.860 2.987 2.010 3.980 . 0 0 "[ . 1 . 2]" 1
998 1 58 LYS HA 1 58 LYS QD . . 3.990 3.842 2.635 4.136 0.146 15 0 "[ . 1 . 2]" 1
999 1 58 LYS HA 1 58 LYS QG . . 3.770 2.591 2.329 3.588 . 0 0 "[ . 1 . 2]" 1
1000 1 58 LYS HA 1 61 LEU H . . 4.360 3.362 3.066 3.654 . 0 0 "[ . 1 . 2]" 1
1001 1 58 LYS HA 1 61 LEU HB2 . . 3.220 2.254 1.929 2.789 . 0 0 "[ . 1 . 2]" 1
1002 1 58 LYS HA 1 61 LEU HB3 . . 4.440 3.863 3.497 4.433 . 0 0 "[ . 1 . 2]" 1
1003 1 58 LYS QB 1 58 LYS QD . . 3.130 2.281 2.098 2.844 . 0 0 "[ . 1 . 2]" 1
1004 1 58 LYS QD 1 58 LYS QG . . 2.400 2.051 1.974 2.097 . 0 0 "[ . 1 . 2]" 1
1005 1 59 THR H 1 60 ALA H . . 4.690 2.670 2.552 2.807 . 0 0 "[ . 1 . 2]" 1
1006 1 59 THR HA 1 62 LYS H . . 4.330 3.541 3.222 3.924 . 0 0 "[ . 1 . 2]" 1
1007 1 59 THR HA 1 62 LYS QB . . 3.720 2.902 2.513 3.382 . 0 0 "[ . 1 . 2]" 1
1008 1 59 THR HB 1 60 ALA H . . 4.300 3.085 2.313 4.039 . 0 0 "[ . 1 . 2]" 1
1009 1 59 THR MG 1 60 ALA H . . 5.040 3.672 2.163 4.056 . 0 0 "[ . 1 . 2]" 1
1010 1 60 ALA H 1 60 ALA MB . . 3.220 2.262 2.236 2.291 . 0 0 "[ . 1 . 2]" 1
1011 1 60 ALA H 1 61 LEU H . . 3.530 2.539 2.410 2.634 . 0 0 "[ . 1 . 2]" 1
1012 1 60 ALA HA 1 63 LYS H . . 3.300 3.310 3.142 3.363 0.063 6 0 "[ . 1 . 2]" 1
1013 1 60 ALA HA 1 63 LYS QB . . 3.150 2.700 2.090 3.161 0.011 4 0 "[ . 1 . 2]" 1
1014 1 60 ALA HA 1 63 LYS QD . . 4.310 2.908 2.170 3.937 . 0 0 "[ . 1 . 2]" 1
1015 1 60 ALA MB 1 61 LEU H . . 3.690 2.598 2.525 2.664 . 0 0 "[ . 1 . 2]" 1
1016 1 61 LEU H 1 61 LEU HB2 . . 3.370 2.333 2.215 2.473 . 0 0 "[ . 1 . 2]" 1
1017 1 61 LEU H 1 61 LEU HB3 . . 3.490 3.535 3.518 3.550 0.060 6 0 "[ . 1 . 2]" 1
1018 1 61 LEU H 1 61 LEU MD1 . . 4.400 3.547 3.471 3.607 . 0 0 "[ . 1 . 2]" 1
1019 1 61 LEU H 1 61 LEU MD2 . . 4.600 3.564 3.361 3.651 . 0 0 "[ . 1 . 2]" 1
1020 1 61 LEU H 1 61 LEU HG . . 3.490 2.425 2.279 2.507 . 0 0 "[ . 1 . 2]" 1
1021 1 61 LEU H 1 62 LYS H . . 3.320 2.722 2.548 2.821 . 0 0 "[ . 1 . 2]" 1
1022 1 61 LEU HA 1 61 LEU MD1 . . 4.630 3.890 3.862 3.916 . 0 0 "[ . 1 . 2]" 1
1023 1 61 LEU HA 1 61 LEU MD2 . . 3.370 2.086 1.990 2.181 . 0 0 "[ . 1 . 2]" 1
1024 1 61 LEU HA 1 61 LEU HG . . 4.210 3.003 2.927 3.105 . 0 0 "[ . 1 . 2]" 1
1025 1 61 LEU HA 1 64 SER H . . 3.470 3.351 3.172 3.480 0.010 16 0 "[ . 1 . 2]" 1
1026 1 61 LEU HB2 1 61 LEU MD1 . . 3.650 2.250 2.207 2.315 . 0 0 "[ . 1 . 2]" 1
1027 1 61 LEU HB2 1 62 LYS H . . 3.810 2.652 2.418 2.870 . 0 0 "[ . 1 . 2]" 1
1028 1 61 LEU HB3 1 61 LEU MD1 . . 3.570 2.428 2.370 2.475 . 0 0 "[ . 1 . 2]" 1
1029 1 61 LEU HB3 1 61 LEU MD2 . . 3.450 2.297 2.249 2.369 . 0 0 "[ . 1 . 2]" 1
1030 1 61 LEU HB3 1 62 LYS H . . 4.040 3.549 3.322 3.725 . 0 0 "[ . 1 . 2]" 1
1031 1 61 LEU HG 1 62 LYS H . . 4.630 4.531 4.392 4.636 0.006 10 0 "[ . 1 . 2]" 1
1032 1 62 LYS H 1 62 LYS QB . . 3.230 2.347 2.152 2.592 . 0 0 "[ . 1 . 2]" 1
1033 1 62 LYS H 1 62 LYS QD . . 4.180 3.678 2.251 4.287 0.107 2 0 "[ . 1 . 2]" 1
1034 1 62 LYS H 1 62 LYS QG . . 4.400 3.259 2.161 4.056 . 0 0 "[ . 1 . 2]" 1
1035 1 62 LYS H 1 63 LYS H . . 3.180 2.718 2.607 2.880 . 0 0 "[ . 1 . 2]" 1
1036 1 62 LYS HA 1 62 LYS QD . . 3.910 2.679 1.933 3.941 0.031 1 0 "[ . 1 . 2]" 1
1037 1 62 LYS HA 1 62 LYS QE . . 4.720 3.892 2.248 4.618 . 0 0 "[ . 1 . 2]" 1
1038 1 62 LYS HA 1 62 LYS QG . . 3.950 2.733 2.325 3.046 . 0 0 "[ . 1 . 2]" 1
1039 1 62 LYS HA 1 65 TRP H . . 4.020 3.314 3.024 3.516 . 0 0 "[ . 1 . 2]" 1
1040 1 62 LYS HA 1 65 TRP QB . . 3.990 2.626 2.172 2.904 . 0 0 "[ . 1 . 2]" 1
1041 1 62 LYS QB 1 62 LYS QD . . 3.140 2.333 2.056 2.848 . 0 0 "[ . 1 . 2]" 1
1042 1 62 LYS QB 1 62 LYS QE . . 3.550 3.335 1.985 3.732 0.182 15 0 "[ . 1 . 2]" 1
1043 1 62 LYS QE 1 62 LYS QG . . 3.390 2.199 2.072 2.730 . 0 0 "[ . 1 . 2]" 1
1044 1 63 LYS H 1 63 LYS QB . . 3.180 2.335 2.067 2.506 . 0 0 "[ . 1 . 2]" 1
1045 1 63 LYS H 1 63 LYS QD . . 3.910 3.396 2.089 4.028 0.118 3 0 "[ . 1 . 2]" 1
1046 1 63 LYS H 1 63 LYS QG . . 4.550 3.147 2.133 4.046 . 0 0 "[ . 1 . 2]" 1
1047 1 63 LYS H 1 64 SER H . . 3.600 2.586 2.429 2.656 . 0 0 "[ . 1 . 2]" 1
1048 1 63 LYS HA 1 63 LYS QE . . 5.500 4.525 3.796 5.025 . 0 0 "[ . 1 . 2]" 1
1049 1 63 LYS HA 1 66 LYS H . . 3.600 3.427 3.135 3.641 0.041 3 0 "[ . 1 . 2]" 1
1050 1 63 LYS HA 1 66 LYS HB2 . . 3.720 3.116 2.515 3.589 . 0 0 "[ . 1 . 2]" 1
1051 1 63 LYS HA 1 66 LYS HB3 . . 3.720 2.759 2.408 3.223 . 0 0 "[ . 1 . 2]" 1
1052 1 63 LYS QB 1 63 LYS QD . . 3.050 2.228 1.999 2.441 . 0 0 "[ . 1 . 2]" 1
1053 1 63 LYS QB 1 64 SER H . . 3.690 2.727 2.475 2.947 . 0 0 "[ . 1 . 2]" 1
1054 1 63 LYS QD 1 63 LYS QG . . 2.400 2.081 2.009 2.094 . 0 0 "[ . 1 . 2]" 1
1055 1 63 LYS QD 1 64 SER H . . 4.970 4.123 2.824 4.948 . 0 0 "[ . 1 . 2]" 1
1056 1 63 LYS QG 1 64 SER H . . 4.700 4.238 3.613 4.725 0.025 16 0 "[ . 1 . 2]" 1
1057 1 64 SER H 1 64 SER QB . . 3.340 2.442 2.351 2.660 . 0 0 "[ . 1 . 2]" 1
1058 1 64 SER H 1 65 TRP H . . 3.500 2.554 2.419 2.691 . 0 0 "[ . 1 . 2]" 1
1059 1 64 SER HA 1 67 ARG H . . 4.280 3.689 3.437 3.873 . 0 0 "[ . 1 . 2]" 1
1060 1 64 SER HA 1 67 ARG HB2 . . 4.500 3.729 3.383 4.444 . 0 0 "[ . 1 . 2]" 1
1061 1 64 SER HA 1 67 ARG HB3 . . 5.130 3.805 3.015 5.201 0.071 8 0 "[ . 1 . 2]" 1
1062 1 64 SER QB 1 65 TRP H . . 3.720 2.720 2.491 3.471 . 0 0 "[ . 1 . 2]" 1
1063 1 65 TRP H 1 65 TRP QB . . 3.160 2.220 2.181 2.257 . 0 0 "[ . 1 . 2]" 1
1064 1 65 TRP H 1 65 TRP HD1 . . 4.730 4.809 4.756 4.831 0.101 3 0 "[ . 1 . 2]" 1
1065 1 65 TRP H 1 66 LYS H . . 3.120 2.487 2.396 2.572 . 0 0 "[ . 1 . 2]" 1
1066 1 65 TRP HA 1 65 TRP HD1 . . 4.480 4.309 4.214 4.492 0.012 4 0 "[ . 1 . 2]" 1
1067 1 65 TRP HA 1 65 TRP HE3 . . 4.030 2.798 2.648 3.197 . 0 0 "[ . 1 . 2]" 1
1068 1 65 TRP HA 1 68 TYR H . . 4.310 3.053 2.823 3.347 . 0 0 "[ . 1 . 2]" 1
1069 1 65 TRP HA 1 68 TYR QB . . 4.280 2.224 2.022 2.489 . 0 0 "[ . 1 . 2]" 1
1070 1 65 TRP QB 1 65 TRP HD1 . . 3.310 2.477 2.439 2.607 . 0 0 "[ . 1 . 2]" 1
1071 1 65 TRP QB 1 66 LYS H . . 3.720 2.838 2.662 2.928 . 0 0 "[ . 1 . 2]" 1
1072 1 65 TRP HD1 1 66 LYS HA . . 3.890 3.835 3.396 3.955 0.065 2 0 "[ . 1 . 2]" 1
1073 1 65 TRP HD1 1 69 GLU HG2 . . 4.020 3.427 2.882 3.833 . 0 0 "[ . 1 . 2]" 1
1074 1 65 TRP HD1 1 69 GLU HG3 . . 4.210 3.583 3.202 4.301 0.091 9 0 "[ . 1 . 2]" 1
1075 1 65 TRP HE3 1 68 TYR QB . . 5.410 3.363 3.187 3.815 . 0 0 "[ . 1 . 2]" 1
1076 1 65 TRP HH2 1 68 TYR QE . . 3.820 3.254 2.870 3.642 . 0 0 "[ . 1 . 2]" 1
1077 1 65 TRP HZ2 1 68 TYR QE . . 4.320 4.319 4.091 4.350 0.030 5 0 "[ . 1 . 2]" 1
1078 1 65 TRP HZ3 1 68 TYR QE . . 3.170 3.244 3.184 3.301 0.131 8 0 "[ . 1 . 2]" 1
1079 1 66 LYS H 1 66 LYS HB2 . . 3.730 2.483 2.368 2.615 . 0 0 "[ . 1 . 2]" 1
1080 1 66 LYS H 1 66 LYS QB . . 3.130 2.236 2.183 2.312 . 0 0 "[ . 1 . 2]" 1
1081 1 66 LYS H 1 66 LYS HB3 . . 3.730 2.541 2.456 2.593 . 0 0 "[ . 1 . 2]" 1
1082 1 66 LYS H 1 66 LYS QD . . 4.570 4.387 4.127 4.587 0.017 10 0 "[ . 1 . 2]" 1
1083 1 66 LYS H 1 66 LYS QG . . 4.390 3.988 3.940 4.083 . 0 0 "[ . 1 . 2]" 1
1084 1 66 LYS H 1 67 ARG H . . 3.680 2.685 2.520 2.919 . 0 0 "[ . 1 . 2]" 1
1085 1 66 LYS HA 1 66 LYS QD . . 3.950 3.601 1.975 4.139 0.189 13 0 "[ . 1 . 2]" 1
1086 1 66 LYS HA 1 66 LYS QE . . 5.500 4.402 2.801 5.098 . 0 0 "[ . 1 . 2]" 1
1087 1 66 LYS HA 1 66 LYS HG2 . . 4.030 3.160 2.605 3.821 . 0 0 "[ . 1 . 2]" 1
1088 1 66 LYS HA 1 66 LYS HG3 . . 4.030 2.838 2.470 3.782 . 0 0 "[ . 1 . 2]" 1
1089 1 66 LYS HA 1 69 GLU H . . 3.960 3.438 3.108 3.879 . 0 0 "[ . 1 . 2]" 1
1090 1 66 LYS HA 1 69 GLU QB . . 3.900 3.012 2.613 3.951 0.051 9 0 "[ . 1 . 2]" 1
1091 1 66 LYS QB 1 66 LYS QD . . 3.140 2.256 2.061 2.824 . 0 0 "[ . 1 . 2]" 1
1092 1 66 LYS QB 1 67 ARG H . . 4.150 2.628 2.450 2.931 . 0 0 "[ . 1 . 2]" 1
1093 1 66 LYS HB2 1 67 ARG H . . 4.710 3.900 3.730 4.100 . 0 0 "[ . 1 . 2]" 1
1094 1 66 LYS HB3 1 67 ARG H . . 4.710 2.672 2.484 3.001 . 0 0 "[ . 1 . 2]" 1
1095 1 66 LYS QD 1 66 LYS QG . . 2.310 2.058 1.965 2.099 . 0 0 "[ . 1 . 2]" 1
1096 1 67 ARG H 1 67 ARG HB2 . . 3.420 2.436 2.262 2.616 . 0 0 "[ . 1 . 2]" 1
1097 1 67 ARG H 1 67 ARG HB3 . . 3.530 2.694 2.397 3.578 0.048 20 0 "[ . 1 . 2]" 1
1098 1 67 ARG H 1 67 ARG QG . . 4.370 3.963 3.482 4.100 . 0 0 "[ . 1 . 2]" 1
1099 1 67 ARG H 1 68 TYR H . . 3.640 2.469 2.395 2.569 . 0 0 "[ . 1 . 2]" 1
1100 1 67 ARG HA 1 67 ARG HD2 . . 5.050 3.512 1.999 4.704 . 0 0 "[ . 1 . 2]" 1
1101 1 67 ARG HA 1 67 ARG QD . . 4.320 3.227 1.971 4.248 . 0 0 "[ . 1 . 2]" 1
1102 1 67 ARG HA 1 67 ARG HD3 . . 5.050 4.055 2.948 4.839 . 0 0 "[ . 1 . 2]" 1
1103 1 67 ARG HA 1 67 ARG QG . . 3.420 2.605 2.330 3.078 . 0 0 "[ . 1 . 2]" 1
1104 1 67 ARG HA 1 70 GLN H . . 4.350 3.381 3.066 3.792 . 0 0 "[ . 1 . 2]" 1
1105 1 67 ARG HA 1 70 GLN HB2 . . 4.130 2.757 2.271 4.227 0.097 13 0 "[ . 1 . 2]" 1
1106 1 67 ARG HA 1 70 GLN HB3 . . 4.150 3.813 2.300 4.198 0.048 18 0 "[ . 1 . 2]" 1
1107 1 67 ARG HA 1 70 GLN HG2 . . 4.880 3.461 1.950 4.307 . 0 0 "[ . 1 . 2]" 1
1108 1 67 ARG HA 1 70 GLN QG . . 4.280 2.846 1.941 3.560 . 0 0 "[ . 1 . 2]" 1
1109 1 67 ARG HA 1 70 GLN HG3 . . 4.880 3.308 2.332 4.582 . 0 0 "[ . 1 . 2]" 1
1110 1 67 ARG HB2 1 68 TYR H . . 3.850 3.690 2.982 3.902 0.052 10 0 "[ . 1 . 2]" 1
1111 1 67 ARG HB3 1 68 TYR H . . 4.020 2.727 2.229 3.749 . 0 0 "[ . 1 . 2]" 1
1112 1 68 TYR H 1 68 TYR QB . . 3.240 2.162 2.066 2.220 . 0 0 "[ . 1 . 2]" 1
1113 1 68 TYR H 1 68 TYR QD . . 4.540 4.098 3.965 4.163 . 0 0 "[ . 1 . 2]" 1
1114 1 68 TYR H 1 69 GLU H . . 3.530 2.643 2.464 2.894 . 0 0 "[ . 1 . 2]" 1
1115 1 68 TYR HA 1 68 TYR QD . . 3.760 2.931 2.437 3.151 . 0 0 "[ . 1 . 2]" 1
1116 1 68 TYR HA 1 68 TYR QE . . 4.480 4.599 4.499 4.680 0.200 17 0 "[ . 1 . 2]" 1
1117 1 68 TYR HA 1 71 GLU H . . 4.210 3.576 3.190 3.984 . 0 0 "[ . 1 . 2]" 1
1118 1 68 TYR HA 1 71 GLU QB . . 4.250 3.416 2.623 4.292 0.042 10 0 "[ . 1 . 2]" 1
1119 1 68 TYR QB 1 69 GLU H . . 3.560 2.319 2.148 2.561 . 0 0 "[ . 1 . 2]" 1
1120 1 68 TYR QD 1 69 GLU H . . 4.290 3.572 3.278 3.945 . 0 0 "[ . 1 . 2]" 1
1121 1 68 TYR QD 1 69 GLU HA . . 4.300 3.627 3.171 4.323 0.023 20 0 "[ . 1 . 2]" 1
1122 1 68 TYR QD 1 72 MET ME . . 4.820 3.815 1.898 4.896 0.076 4 0 "[ . 1 . 2]" 1
1123 1 68 TYR QE 1 72 MET ME . . 4.290 3.262 2.303 4.130 . 0 0 "[ . 1 . 2]" 1
1124 1 69 GLU H 1 69 GLU QB . . 3.260 2.505 2.429 2.669 . 0 0 "[ . 1 . 2]" 1
1125 1 69 GLU H 1 69 GLU HG2 . . 3.230 1.931 1.833 2.206 . 0 0 "[ . 1 . 2]" 1
1126 1 69 GLU H 1 69 GLU HG3 . . 3.680 3.404 3.208 3.498 . 0 0 "[ . 1 . 2]" 1
1127 1 69 GLU H 1 70 GLN H . . 3.640 2.662 2.571 2.772 . 0 0 "[ . 1 . 2]" 1
1128 1 69 GLU HA 1 69 GLU HG2 . . 4.200 3.013 2.830 3.787 . 0 0 "[ . 1 . 2]" 1
1129 1 69 GLU HA 1 72 MET H . . 4.510 3.653 3.119 4.103 . 0 0 "[ . 1 . 2]" 1
1130 1 69 GLU HA 1 72 MET QB . . 4.840 3.309 2.095 4.723 . 0 0 "[ . 1 . 2]" 1
1131 1 69 GLU HA 1 73 LEU H . . 4.490 3.744 3.015 4.070 . 0 0 "[ . 1 . 2]" 1
1132 1 69 GLU HA 1 73 LEU HB2 . . 4.720 4.235 2.645 4.748 0.028 8 0 "[ . 1 . 2]" 1
1133 1 69 GLU HA 1 73 LEU HB3 . . 4.600 4.637 3.681 4.750 0.150 20 0 "[ . 1 . 2]" 1
1134 1 69 GLU QB 1 69 GLU HG3 . . 2.780 2.158 2.120 2.371 . 0 0 "[ . 1 . 2]" 1
1135 1 69 GLU QB 1 70 GLN H . . 3.780 2.316 2.123 3.669 . 0 0 "[ . 1 . 2]" 1
1136 1 69 GLU HG2 1 70 GLN H . . 3.760 3.846 3.204 3.927 0.167 17 0 "[ . 1 . 2]" 1
1137 1 70 GLN H 1 70 GLN HB2 . . 3.440 2.569 2.283 3.569 0.129 13 0 "[ . 1 . 2]" 1
1138 1 70 GLN H 1 70 GLN HB3 . . 3.790 3.370 2.134 3.719 . 0 0 "[ . 1 . 2]" 1
1139 1 70 GLN H 1 70 GLN HG2 . . 3.970 2.956 2.177 4.171 0.201 15 0 "[ . 1 . 2]" 1
1140 1 70 GLN H 1 70 GLN HG3 . . 3.970 3.350 2.145 4.104 0.134 17 0 "[ . 1 . 2]" 1
1141 1 70 GLN H 1 71 GLU H . . 3.420 2.870 2.629 3.016 . 0 0 "[ . 1 . 2]" 1
1142 1 70 GLN HA 1 70 GLN HG2 . . 4.240 3.018 2.475 3.804 . 0 0 "[ . 1 . 2]" 1
1143 1 70 GLN HA 1 70 GLN HG3 . . 4.240 3.423 2.921 3.783 . 0 0 "[ . 1 . 2]" 1
1144 1 70 GLN HA 1 73 LEU H . . 4.790 3.797 3.467 4.403 . 0 0 "[ . 1 . 2]" 1
1145 1 70 GLN HA 1 73 LEU HB2 . . 4.910 4.210 3.625 4.987 0.077 1 0 "[ . 1 . 2]" 1
1146 1 70 GLN HA 1 73 LEU HB3 . . 4.460 2.870 2.282 3.977 . 0 0 "[ . 1 . 2]" 1
1147 1 70 GLN HB2 1 71 GLU H . . 4.520 2.880 2.406 3.957 . 0 0 "[ . 1 . 2]" 1
1148 1 70 GLN HB3 1 71 GLU H . . 4.530 3.417 2.541 3.827 . 0 0 "[ . 1 . 2]" 1
1149 1 70 GLN QG 1 71 GLU H . . 4.350 3.909 2.116 4.280 . 0 0 "[ . 1 . 2]" 1
1150 1 71 GLU H 1 71 GLU QB . . 3.310 2.494 2.299 2.726 . 0 0 "[ . 1 . 2]" 1
1151 1 71 GLU H 1 71 GLU HG2 . . 4.060 2.628 2.157 3.643 . 0 0 "[ . 1 . 2]" 1
1152 1 71 GLU H 1 71 GLU QG . . 3.440 2.401 2.139 2.671 . 0 0 "[ . 1 . 2]" 1
1153 1 71 GLU H 1 71 GLU HG3 . . 4.060 3.393 2.469 3.845 . 0 0 "[ . 1 . 2]" 1
1154 1 71 GLU H 1 72 MET H . . 3.290 2.645 2.498 2.866 . 0 0 "[ . 1 . 2]" 1
1155 1 71 GLU HA 1 71 GLU HG2 . . 4.090 3.084 2.303 3.908 . 0 0 "[ . 1 . 2]" 1
1156 1 71 GLU HA 1 71 GLU QG . . 3.590 2.880 2.231 3.398 . 0 0 "[ . 1 . 2]" 1
1157 1 71 GLU HA 1 71 GLU HG3 . . 4.090 3.595 2.982 3.764 . 0 0 "[ . 1 . 2]" 1
1158 1 71 GLU HA 1 74 LYS H . . 5.180 3.426 2.863 4.417 . 0 0 "[ . 1 . 2]" 1
1159 1 71 GLU QB 1 71 GLU HG2 . . 2.480 2.339 2.271 2.445 . 0 0 "[ . 1 . 2]" 1
1160 1 71 GLU QB 1 71 GLU HG3 . . 2.480 2.239 2.122 2.412 . 0 0 "[ . 1 . 2]" 1
1161 1 71 GLU QB 1 72 MET H . . 4.360 2.885 2.350 3.625 . 0 0 "[ . 1 . 2]" 1
1162 1 71 GLU QG 1 72 MET H . . 4.300 3.703 2.157 4.322 0.022 5 0 "[ . 1 . 2]" 1
1163 1 71 GLU HG2 1 72 MET H . . 5.080 4.197 2.883 5.107 0.027 5 0 "[ . 1 . 2]" 1
1164 1 71 GLU HG3 1 72 MET H . . 5.080 4.258 2.227 5.145 0.065 8 0 "[ . 1 . 2]" 1
1165 1 72 MET H 1 72 MET HB2 . . 4.140 2.859 2.376 3.694 . 0 0 "[ . 1 . 2]" 1
1166 1 72 MET H 1 72 MET QB . . 3.390 2.489 2.096 2.667 . 0 0 "[ . 1 . 2]" 1
1167 1 72 MET H 1 72 MET HB3 . . 4.140 3.236 2.269 3.696 . 0 0 "[ . 1 . 2]" 1
1168 1 72 MET H 1 72 MET ME . . 4.940 4.304 3.390 4.787 . 0 0 "[ . 1 . 2]" 1
1169 1 72 MET H 1 72 MET QG . . 3.510 2.438 2.100 3.744 0.234 11 0 "[ . 1 . 2]" 1
1170 1 72 MET H 1 73 LEU H . . 3.370 2.584 2.453 2.732 . 0 0 "[ . 1 . 2]" 1
1171 1 72 MET HA 1 72 MET ME . . 4.320 3.663 2.642 4.370 0.050 15 0 "[ . 1 . 2]" 1
1172 1 72 MET HA 1 72 MET QG . . 3.760 2.925 2.361 3.530 . 0 0 "[ . 1 . 2]" 1
1173 1 72 MET HA 1 75 ASN H . . 4.690 3.406 3.036 4.049 . 0 0 "[ . 1 . 2]" 1
1174 1 72 MET HA 1 75 ASN HB2 . . 5.010 3.711 2.626 5.044 0.034 16 0 "[ . 1 . 2]" 1
1175 1 72 MET HA 1 75 ASN QB . . 4.360 3.161 2.311 3.982 . 0 0 "[ . 1 . 2]" 1
1176 1 72 MET HA 1 75 ASN HB3 . . 5.010 4.026 2.421 5.095 0.085 1 0 "[ . 1 . 2]" 1
1177 1 72 MET QB 1 72 MET ME . . 3.270 2.005 1.921 2.103 . 0 0 "[ . 1 . 2]" 1
1178 1 72 MET QB 1 72 MET QG . . 2.380 2.031 1.985 2.089 . 0 0 "[ . 1 . 2]" 1
1179 1 72 MET ME 1 73 LEU H . . 5.280 4.709 3.920 5.289 0.009 1 0 "[ . 1 . 2]" 1
1180 1 72 MET QG 1 73 LEU H . . 4.410 3.606 2.431 4.413 0.003 18 0 "[ . 1 . 2]" 1
1181 1 73 LEU H 1 73 LEU HB2 . . 3.460 2.592 2.467 2.749 . 0 0 "[ . 1 . 2]" 1
1182 1 73 LEU H 1 73 LEU HB3 . . 3.470 2.286 2.161 2.462 . 0 0 "[ . 1 . 2]" 1
1183 1 73 LEU H 1 73 LEU MD1 . . 4.680 4.150 4.050 4.252 . 0 0 "[ . 1 . 2]" 1
1184 1 73 LEU H 1 73 LEU QD . . 4.110 3.692 3.552 3.752 . 0 0 "[ . 1 . 2]" 1
1185 1 73 LEU H 1 73 LEU MD2 . . 4.680 4.140 3.930 4.218 . 0 0 "[ . 1 . 2]" 1
1186 1 73 LEU H 1 73 LEU HG . . 4.270 4.320 4.282 4.382 0.112 20 0 "[ . 1 . 2]" 1
1187 1 73 LEU H 1 74 LYS H . . 3.510 2.492 2.356 2.657 . 0 0 "[ . 1 . 2]" 1
1188 1 73 LEU HA 1 73 LEU MD1 . . 4.030 2.290 2.086 3.832 . 0 0 "[ . 1 . 2]" 1
1189 1 73 LEU HA 1 73 LEU QD . . 3.170 2.242 2.078 3.105 . 0 0 "[ . 1 . 2]" 1
1190 1 73 LEU HA 1 73 LEU MD2 . . 4.030 3.888 3.282 3.975 . 0 0 "[ . 1 . 2]" 1
1191 1 73 LEU HB2 1 73 LEU MD1 . . 3.130 2.317 2.237 2.456 . 0 0 "[ . 1 . 2]" 1
1192 1 73 LEU HB2 1 73 LEU MD2 . . 3.130 2.449 2.355 3.180 0.050 20 0 "[ . 1 . 2]" 1
1193 1 73 LEU HB2 1 74 LYS H . . 4.630 4.029 3.650 4.222 . 0 0 "[ . 1 . 2]" 1
1194 1 73 LEU HB3 1 74 LYS H . . 4.580 2.894 2.293 3.202 . 0 0 "[ . 1 . 2]" 1
1195 1 74 LYS H 1 74 LYS QB . . 3.250 2.260 2.096 2.468 . 0 0 "[ . 1 . 2]" 1
1196 1 74 LYS H 1 74 LYS QG . . 4.860 3.626 2.232 4.066 . 0 0 "[ . 1 . 2]" 1
1197 1 74 LYS H 1 75 ASN H . . 3.990 2.519 2.302 2.862 . 0 0 "[ . 1 . 2]" 1
1198 1 74 LYS HA 1 74 LYS QD . . 4.030 3.255 1.993 4.165 0.135 15 0 "[ . 1 . 2]" 1
1199 1 74 LYS QB 1 74 LYS QD . . 3.020 2.253 2.038 2.619 . 0 0 "[ . 1 . 2]" 1
1200 1 74 LYS QB 1 75 ASN H . . 4.300 2.647 2.224 3.162 . 0 0 "[ . 1 . 2]" 1
1201 1 74 LYS QD 1 74 LYS QG . . 2.400 2.072 1.976 2.100 . 0 0 "[ . 1 . 2]" 1
1202 1 75 ASN H 1 75 ASN HB2 . . 4.110 2.802 2.411 3.918 . 0 0 "[ . 1 . 2]" 1
1203 1 75 ASN H 1 75 ASN QB . . 3.590 2.495 2.239 2.971 . 0 0 "[ . 1 . 2]" 1
1204 1 75 ASN H 1 75 ASN HB3 . . 4.110 3.069 2.446 3.694 . 0 0 "[ . 1 . 2]" 1
1205 1 75 ASN HB2 1 76 GLU H . . 5.290 3.869 2.752 4.531 . 0 0 "[ . 1 . 2]" 1
1206 1 75 ASN HB3 1 76 GLU H . . 5.290 3.415 1.981 4.473 . 0 0 "[ . 1 . 2]" 1
1207 1 76 GLU H 1 76 GLU QB . . 3.630 2.621 2.263 3.392 . 0 0 "[ . 1 . 2]" 1
1208 1 76 GLU H 1 76 GLU QG . . 4.250 3.111 2.118 4.201 . 0 0 "[ . 1 . 2]" 1
1209 1 76 GLU QB 1 76 GLU QG . . 2.400 2.066 1.996 2.090 . 0 0 "[ . 1 . 2]" 1
1210 1 78 VAL H 1 78 VAL HB . . 3.430 2.900 2.484 3.527 0.097 6 0 "[ . 1 . 2]" 1
1211 1 78 VAL H 1 78 VAL QG . . 3.350 2.481 2.109 3.102 . 0 0 "[ . 1 . 2]" 1
1212 1 78 VAL H 1 79 ALA H . . 3.650 2.747 1.813 3.777 0.127 16 0 "[ . 1 . 2]" 1
1213 1 78 VAL HA 1 78 VAL QG . . 3.070 2.210 2.142 2.391 . 0 0 "[ . 1 . 2]" 1
1214 1 78 VAL HB 1 79 ALA H . . 4.220 3.186 1.898 4.336 0.116 19 0 "[ . 1 . 2]" 1
1215 1 78 VAL QG 1 79 ALA H . . 4.470 3.073 2.228 3.447 . 0 0 "[ . 1 . 2]" 1
1216 1 79 ALA H 1 79 ALA MB . . 3.430 2.640 2.265 2.963 . 0 0 "[ . 1 . 2]" 1
1217 1 79 ALA MB 1 80 ALA H . . 3.470 2.975 1.831 3.564 0.094 20 0 "[ . 1 . 2]" 1
1218 1 81 LYS H 1 81 LYS QG . . 4.310 3.347 2.328 4.239 . 0 0 "[ . 1 . 2]" 1
1219 1 81 LYS HA 1 81 LYS QD . . 3.900 3.289 1.961 4.087 0.187 19 0 "[ . 1 . 2]" 1
1220 1 81 LYS HA 1 81 LYS QG . . 3.570 2.698 2.353 3.554 . 0 0 "[ . 1 . 2]" 1
1221 1 81 LYS QB 1 81 LYS QD . . 2.510 2.268 2.074 2.599 0.089 20 0 "[ . 1 . 2]" 1
1222 1 81 LYS QB 1 82 MET H . . 4.630 3.448 2.292 4.031 . 0 0 "[ . 1 . 2]" 1
1223 1 81 LYS QD 1 81 LYS QG . . 2.400 2.056 1.959 2.098 . 0 0 "[ . 1 . 2]" 1
1224 1 81 LYS QG 1 82 MET H . . 5.120 3.982 2.327 4.771 . 0 0 "[ . 1 . 2]" 1
1225 1 82 MET QB 1 83 LEU H . . 4.110 3.173 1.791 3.985 . 0 0 "[ . 1 . 2]" 1
1226 1 83 LEU H 1 83 LEU QB . . 3.350 2.779 2.269 3.361 0.011 15 0 "[ . 1 . 2]" 1
1227 1 83 LEU H 1 83 LEU QD . . 4.860 3.248 1.940 4.240 . 0 0 "[ . 1 . 2]" 1
1228 1 83 LEU HA 1 83 LEU MD1 . . 4.050 3.024 2.069 3.901 . 0 0 "[ . 1 . 2]" 1
1229 1 83 LEU HA 1 83 LEU QD . . 3.250 2.348 2.000 3.253 0.003 20 0 "[ . 1 . 2]" 1
1230 1 83 LEU HA 1 83 LEU MD2 . . 4.050 3.159 2.007 3.935 . 0 0 "[ . 1 . 2]" 1
1231 1 83 LEU QB 1 83 LEU QD . . 2.450 1.967 1.919 2.092 . 0 0 "[ . 1 . 2]" 1
1232 1 84 GLU H 1 84 GLU QB . . 3.860 2.730 2.238 3.250 . 0 0 "[ . 1 . 2]" 1
1233 1 84 GLU H 1 84 GLU QG . . 4.070 2.744 1.975 4.109 0.039 17 0 "[ . 1 . 2]" 1
1234 1 84 GLU QB 1 84 GLU QG . . 2.400 2.054 1.989 2.090 . 0 0 "[ . 1 . 2]" 1
1235 1 84 GLU QB 1 86 ASP H . . 5.190 4.234 2.748 5.233 0.043 5 0 "[ . 1 . 2]" 1
1236 1 84 GLU QG 1 85 LYS H . . 4.400 3.924 3.132 4.395 . 0 0 "[ . 1 . 2]" 1
1237 1 85 LYS H 1 85 LYS QD . . 4.590 4.063 2.260 4.661 0.071 5 0 "[ . 1 . 2]" 1
1238 1 85 LYS HA 1 85 LYS QD . . 4.510 3.085 2.001 4.524 0.014 3 0 "[ . 1 . 2]" 1
1239 1 85 LYS HA 1 85 LYS QE . . 5.500 4.442 2.623 5.462 . 0 0 "[ . 1 . 2]" 1
1240 1 85 LYS HA 1 85 LYS QG . . 3.740 2.843 2.405 3.514 . 0 0 "[ . 1 . 2]" 1
1241 1 85 LYS QB 1 85 LYS QD . . 2.730 2.311 2.095 2.791 0.061 11 0 "[ . 1 . 2]" 1
1242 1 87 ALA H 1 87 ALA MB . . 3.410 2.510 2.244 2.910 . 0 0 "[ . 1 . 2]" 1
1243 1 88 THR H 1 88 THR MG . . 4.710 3.033 1.955 4.013 . 0 0 "[ . 1 . 2]" 1
1244 1 88 THR HA 1 88 THR MG . . 3.670 2.566 2.239 3.256 . 0 0 "[ . 1 . 2]" 1
1245 1 89 GLU H 1 89 GLU QB . . 3.450 2.596 2.243 3.125 . 0 0 "[ . 1 . 2]" 1
1246 1 89 GLU H 1 89 GLU QG . . 5.020 3.557 2.208 4.215 . 0 0 "[ . 1 . 2]" 1
1247 1 89 GLU QB 1 89 GLU QG . . 2.310 2.054 1.988 2.090 . 0 0 "[ . 1 . 2]" 1
1248 1 90 VAL H 1 90 VAL HB . . 3.880 3.394 2.561 3.886 0.006 20 0 "[ . 1 . 2]" 1
1249 1 90 VAL H 1 90 VAL QG . . 4.280 2.181 1.881 2.779 . 0 0 "[ . 1 . 2]" 1
1250 1 93 LYS HA 1 93 LYS QD . . 3.770 3.206 1.975 3.902 0.132 17 0 "[ . 1 . 2]" 1
1251 1 93 LYS HA 1 93 LYS QE . . 5.500 4.485 2.977 5.387 . 0 0 "[ . 1 . 2]" 1
1252 1 93 LYS QB 1 93 LYS QD . . 2.400 2.288 2.023 2.560 0.160 5 0 "[ . 1 . 2]" 1
1253 1 93 LYS QB 1 94 ALA H . . 4.840 3.452 2.354 3.963 . 0 0 "[ . 1 . 2]" 1
1254 1 95 ALA H 1 95 ALA MB . . 3.600 2.435 2.217 2.935 . 0 0 "[ . 1 . 2]" 1
1255 1 96 LEU H 1 96 LEU HG . . 3.650 2.953 2.037 3.673 0.023 13 0 "[ . 1 . 2]" 1
1256 1 96 LEU HA 1 96 LEU MD1 . . 4.240 3.803 2.932 4.156 . 0 0 "[ . 1 . 2]" 1
1257 1 96 LEU HA 1 96 LEU QD . . 3.420 3.214 2.048 3.452 0.032 4 0 "[ . 1 . 2]" 1
1258 1 96 LEU HA 1 96 LEU MD2 . . 4.240 3.670 2.056 4.130 . 0 0 "[ . 1 . 2]" 1
1259 1 96 LEU QB 1 96 LEU QD . . 2.540 1.945 1.929 1.958 . 0 0 "[ . 1 . 2]" 1
1260 1 97 GLU H 1 97 GLU QB . . 3.770 2.675 2.277 3.314 . 0 0 "[ . 1 . 2]" 1
1261 1 99 ALA H 1 99 ALA MB . . 3.640 2.479 2.227 2.842 . 0 0 "[ . 1 . 2]" 1
1262 1 100 LYS QB 1 100 LYS QE . . 3.880 3.426 1.982 3.872 . 0 0 "[ . 1 . 2]" 1
1263 1 101 LYS HA 1 101 LYS QE . . 4.280 3.987 2.684 4.385 0.105 10 0 "[ . 1 . 2]" 1
1264 1 102 VAL H 1 102 VAL HB . . 3.910 3.476 2.572 3.858 . 0 0 "[ . 1 . 2]" 1
1265 1 102 VAL H 1 102 VAL QG . . 3.960 2.130 1.915 2.660 . 0 0 "[ . 1 . 2]" 1
1266 1 102 VAL HA 1 102 VAL QG . . 3.030 2.312 2.153 2.383 . 0 0 "[ . 1 . 2]" 1
1267 1 103 GLN H 1 103 GLN QB . . 3.680 2.703 2.236 3.197 . 0 0 "[ . 1 . 2]" 1
1268 1 103 GLN H 1 103 GLN QG . . 4.790 2.962 1.984 4.186 . 0 0 "[ . 1 . 2]" 1
1269 1 104 ILE H 1 104 ILE HB . . 3.920 3.302 2.505 3.832 . 0 0 "[ . 1 . 2]" 1
1270 1 104 ILE HB 1 105 GLU H . . 5.130 3.988 2.494 4.457 . 0 0 "[ . 1 . 2]" 1
1271 1 105 GLU H 1 105 GLU QG . . 4.500 2.969 2.149 4.105 . 0 0 "[ . 1 . 2]" 1
1272 1 106 LEU HA 1 106 LEU MD1 . . 4.060 3.039 2.034 4.115 0.055 6 0 "[ . 1 . 2]" 1
1273 1 106 LEU HA 1 106 LEU QD . . 3.490 2.426 2.009 3.386 . 0 0 "[ . 1 . 2]" 1
1274 1 106 LEU HA 1 106 LEU MD2 . . 4.060 3.164 2.071 3.922 . 0 0 "[ . 1 . 2]" 1
1275 1 108 THR HA 1 108 THR HB . . 2.400 2.444 2.411 2.486 0.086 9 0 "[ . 1 . 2]" 1
1276 1 109 SER H 1 110 LEU H . . 5.030 2.309 1.976 2.663 . 0 0 "[ . 1 . 2]" 1
1277 1 109 SER QB 1 110 LEU H . . 5.130 2.945 2.409 3.685 . 0 0 "[ . 1 . 2]" 1
1278 1 110 LEU H 1 110 LEU QB . . 3.680 3.068 2.199 3.435 . 0 0 "[ . 1 . 2]" 1
1279 1 110 LEU HA 1 110 LEU QD . . 3.820 2.396 2.013 3.446 . 0 0 "[ . 1 . 2]" 1
1280 1 110 LEU HA 1 110 LEU HG . . 4.050 3.401 2.508 3.862 . 0 0 "[ . 1 . 2]" 1
1281 1 110 LEU QB 1 110 LEU HG . . 2.310 2.280 2.141 2.376 0.066 14 0 "[ . 1 . 2]" 1
1282 1 112 TYR H 1 113 ILE H . . 5.240 4.178 3.667 4.549 . 0 0 "[ . 1 . 2]" 1
1283 1 113 ILE HA 1 113 ILE MD . . 3.650 3.108 2.032 3.782 0.132 19 0 "[ . 1 . 2]" 1
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