Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
462140 | 2e6q RC | 11221 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2e6q
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 2101
_Distance_constraint_stats_list.Viol_count 1070
_Distance_constraint_stats_list.Viol_total 426.506
_Distance_constraint_stats_list.Viol_max 0.678
_Distance_constraint_stats_list.Viol_rms 0.0059
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0199
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 GLY 0.003 0.003 19 0 "[ . 1 . 2]"
1 8 THR 0.267 0.035 16 0 "[ . 1 . 2]"
1 9 ALA 0.086 0.014 17 0 "[ . 1 . 2]"
1 10 ARG 0.819 0.096 7 0 "[ . 1 . 2]"
1 11 LEU 1.626 0.113 7 0 "[ . 1 . 2]"
1 12 VAL 2.048 0.125 16 0 "[ . 1 . 2]"
1 13 ALA 0.264 0.044 11 0 "[ . 1 . 2]"
1 14 GLY 0.241 0.033 18 0 "[ . 1 . 2]"
1 15 LEU 0.624 0.111 16 0 "[ . 1 . 2]"
1 16 GLU 0.049 0.018 14 0 "[ . 1 . 2]"
1 17 ASP 0.095 0.018 14 0 "[ . 1 . 2]"
1 18 VAL 0.316 0.094 16 0 "[ . 1 . 2]"
1 19 GLN 0.109 0.029 16 0 "[ . 1 . 2]"
1 20 VAL 0.141 0.020 2 0 "[ . 1 . 2]"
1 21 TYR 0.127 0.023 5 0 "[ . 1 . 2]"
1 22 ASP 0.177 0.064 10 0 "[ . 1 . 2]"
1 23 GLY 0.392 0.033 14 0 "[ . 1 . 2]"
1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASP 1.300 0.097 6 0 "[ . 1 . 2]"
1 26 ALA 0.058 0.016 4 0 "[ . 1 . 2]"
1 27 VAL 0.549 0.053 6 0 "[ . 1 . 2]"
1 28 PHE 0.356 0.038 17 0 "[ . 1 . 2]"
1 29 SER 0.543 0.044 6 0 "[ . 1 . 2]"
1 30 LEU 0.965 0.111 16 0 "[ . 1 . 2]"
1 31 ASP 0.474 0.042 14 0 "[ . 1 . 2]"
1 32 LEU 1.213 0.678 19 1 "[ . 1 . +2]"
1 33 SER 1.322 0.125 16 0 "[ . 1 . 2]"
1 34 THR 0.367 0.083 12 0 "[ . 1 . 2]"
1 35 ILE 0.219 0.042 5 0 "[ . 1 . 2]"
1 36 ILE 0.446 0.083 12 0 "[ . 1 . 2]"
1 37 GLN 0.436 0.104 7 0 "[ . 1 . 2]"
1 38 GLY 0.127 0.091 15 0 "[ . 1 . 2]"
1 39 THR 0.118 0.020 17 0 "[ . 1 . 2]"
1 40 TRP 0.185 0.025 16 0 "[ . 1 . 2]"
1 41 PHE 0.266 0.050 11 0 "[ . 1 . 2]"
1 42 LEU 0.296 0.082 6 0 "[ . 1 . 2]"
1 43 ASN 0.060 0.032 12 0 "[ . 1 . 2]"
1 44 GLY 0.026 0.010 13 0 "[ . 1 . 2]"
1 45 GLU 0.774 0.133 18 0 "[ . 1 . 2]"
1 46 GLU 0.042 0.015 6 0 "[ . 1 . 2]"
1 47 LEU 0.104 0.016 3 0 "[ . 1 . 2]"
1 48 LYS 0.036 0.016 3 0 "[ . 1 . 2]"
1 49 SER 0.004 0.003 4 0 "[ . 1 . 2]"
1 50 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.018 0.011 16 0 "[ . 1 . 2]"
1 52 PRO 0.597 0.111 10 0 "[ . 1 . 2]"
1 53 GLU 0.591 0.111 10 0 "[ . 1 . 2]"
1 54 GLY 0.001 0.001 14 0 "[ . 1 . 2]"
1 55 GLN 0.020 0.010 11 0 "[ . 1 . 2]"
1 56 VAL 0.041 0.020 3 0 "[ . 1 . 2]"
1 57 GLU 0.898 0.176 9 0 "[ . 1 . 2]"
1 58 PRO 0.868 0.176 9 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LEU 0.113 0.062 19 0 "[ . 1 . 2]"
1 62 ARG 0.370 0.167 20 0 "[ . 1 . 2]"
1 63 TYR 0.156 0.062 19 0 "[ . 1 . 2]"
1 64 ARG 0.122 0.027 18 0 "[ . 1 . 2]"
1 65 ILE 0.070 0.017 3 0 "[ . 1 . 2]"
1 66 GLU 0.016 0.015 14 0 "[ . 1 . 2]"
1 67 GLN 0.232 0.060 13 0 "[ . 1 . 2]"
1 68 LYS 0.278 0.086 11 0 "[ . 1 . 2]"
1 69 GLY 0.142 0.037 13 0 "[ . 1 . 2]"
1 70 LEU 0.669 0.058 16 0 "[ . 1 . 2]"
1 71 GLN 0.356 0.086 11 0 "[ . 1 . 2]"
1 72 HIS 0.115 0.032 14 0 "[ . 1 . 2]"
1 73 ARG 0.282 0.053 6 0 "[ . 1 . 2]"
1 74 LEU 0.259 0.038 17 0 "[ . 1 . 2]"
1 75 ILE 0.354 0.027 18 0 "[ . 1 . 2]"
1 76 LEU 0.103 0.026 19 0 "[ . 1 . 2]"
1 77 HIS 0.098 0.014 20 0 "[ . 1 . 2]"
1 78 ALA 1.091 0.097 6 0 "[ . 1 . 2]"
1 79 VAL 0.167 0.026 19 0 "[ . 1 . 2]"
1 80 LYS 0.531 0.058 17 0 "[ . 1 . 2]"
1 81 HIS 0.209 0.058 17 0 "[ . 1 . 2]"
1 82 GLN 0.264 0.163 8 0 "[ . 1 . 2]"
1 83 ASP 0.213 0.063 19 0 "[ . 1 . 2]"
1 84 SER 0.088 0.017 16 0 "[ . 1 . 2]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ALA 0.031 0.012 15 0 "[ . 1 . 2]"
1 87 LEU 0.158 0.036 14 0 "[ . 1 . 2]"
1 88 VAL 0.468 0.052 17 0 "[ . 1 . 2]"
1 89 GLY 0.132 0.025 4 0 "[ . 1 . 2]"
1 90 PHE 0.820 0.678 19 1 "[ . 1 . +2]"
1 91 SER 2.186 0.070 13 0 "[ . 1 . 2]"
1 92 CYS 1.478 0.048 6 0 "[ . 1 . 2]"
1 93 PRO 0.322 0.077 12 0 "[ . 1 . 2]"
1 94 GLY 0.091 0.035 16 0 "[ . 1 . 2]"
1 95 VAL 2.557 0.070 13 0 "[ . 1 . 2]"
1 96 GLN 1.575 0.077 20 0 "[ . 1 . 2]"
1 97 ASP 0.641 0.061 14 0 "[ . 1 . 2]"
1 98 SER 0.665 0.101 4 0 "[ . 1 . 2]"
1 99 ALA 0.091 0.027 16 0 "[ . 1 . 2]"
1 100 ALA 0.122 0.036 14 0 "[ . 1 . 2]"
1 101 LEU 0.327 0.094 16 0 "[ . 1 . 2]"
1 102 THR 0.178 0.035 17 0 "[ . 1 . 2]"
1 103 ILE 0.162 0.032 13 0 "[ . 1 . 2]"
1 104 GLN 0.093 0.032 13 0 "[ . 1 . 2]"
1 105 GLU 0.145 0.064 10 0 "[ . 1 . 2]"
1 106 SER 0.023 0.023 5 0 "[ . 1 . 2]"
1 107 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY QA 1 8 THR H . . 3.210 2.279 2.113 2.555 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 36 ILE MD . . 4.570 3.989 3.217 4.573 0.003 19 0 "[ . 1 . 2]" 1
3 1 8 THR H 1 8 THR MG . . 3.950 3.174 3.039 3.311 . 0 0 "[ . 1 . 2]" 1
4 1 8 THR H 1 9 ALA H . . 4.410 4.391 4.331 4.424 0.014 4 0 "[ . 1 . 2]" 1
5 1 8 THR H 1 36 ILE MD . . 5.010 3.724 3.086 4.566 . 0 0 "[ . 1 . 2]" 1
6 1 8 THR HA 1 8 THR MG . . 3.220 2.265 2.166 2.345 . 0 0 "[ . 1 . 2]" 1
7 1 8 THR HA 1 9 ALA H . . 2.840 2.377 2.263 2.535 . 0 0 "[ . 1 . 2]" 1
8 1 8 THR HA 1 9 ALA MB . . 4.470 3.813 3.730 3.881 . 0 0 "[ . 1 . 2]" 1
9 1 8 THR HA 1 36 ILE MD . . 3.690 2.043 1.886 2.753 . 0 0 "[ . 1 . 2]" 1
10 1 8 THR HA 1 93 PRO HB2 . . 3.910 3.442 3.240 3.654 . 0 0 "[ . 1 . 2]" 1
11 1 8 THR HB 1 9 ALA H . . 3.220 2.463 2.142 2.763 . 0 0 "[ . 1 . 2]" 1
12 1 8 THR HB 1 36 ILE MD . . 5.270 3.838 3.527 4.341 . 0 0 "[ . 1 . 2]" 1
13 1 8 THR HB 1 94 GLY HA2 . . 4.270 3.260 2.159 3.982 . 0 0 "[ . 1 . 2]" 1
14 1 8 THR HB 1 94 GLY HA3 . . 4.270 2.617 1.998 3.145 . 0 0 "[ . 1 . 2]" 1
15 1 8 THR MG 1 9 ALA H . . 3.780 3.682 3.582 3.784 0.004 11 0 "[ . 1 . 2]" 1
16 1 8 THR MG 1 93 PRO HB2 . . 3.830 2.320 2.204 2.511 . 0 0 "[ . 1 . 2]" 1
17 1 8 THR MG 1 93 PRO HB3 . . 3.850 3.855 3.811 3.868 0.018 16 0 "[ . 1 . 2]" 1
18 1 8 THR MG 1 94 GLY H . . 4.570 4.365 3.678 4.605 0.035 16 0 "[ . 1 . 2]" 1
19 1 8 THR MG 1 94 GLY QA . . 3.920 3.090 2.473 3.332 . 0 0 "[ . 1 . 2]" 1
20 1 9 ALA H 1 9 ALA MB . . 3.080 2.672 2.432 2.820 . 0 0 "[ . 1 . 2]" 1
21 1 9 ALA H 1 36 ILE MD . . 3.900 2.474 2.067 2.907 . 0 0 "[ . 1 . 2]" 1
22 1 9 ALA H 1 94 GLY HA2 . . 4.470 3.927 3.383 4.344 . 0 0 "[ . 1 . 2]" 1
23 1 9 ALA H 1 94 GLY QA . . 3.630 2.270 1.896 2.624 . 0 0 "[ . 1 . 2]" 1
24 1 9 ALA H 1 94 GLY HA3 . . 4.470 2.284 1.906 2.646 . 0 0 "[ . 1 . 2]" 1
25 1 9 ALA H 1 95 VAL MG2 . . 4.350 3.817 3.586 3.997 . 0 0 "[ . 1 . 2]" 1
26 1 9 ALA HA 1 10 ARG H . . 2.890 2.543 2.409 2.648 . 0 0 "[ . 1 . 2]" 1
27 1 9 ALA HA 1 10 ARG HB2 . . 4.560 4.333 4.037 4.566 0.006 4 0 "[ . 1 . 2]" 1
28 1 9 ALA HA 1 33 SER H . . 5.380 5.138 4.606 5.394 0.014 17 0 "[ . 1 . 2]" 1
29 1 9 ALA HA 1 34 THR H . . 4.880 4.534 4.048 4.861 . 0 0 "[ . 1 . 2]" 1
30 1 9 ALA HA 1 34 THR MG . . 3.400 2.424 1.857 3.267 . 0 0 "[ . 1 . 2]" 1
31 1 9 ALA HA 1 36 ILE MG . . 5.270 4.981 4.378 5.280 0.010 19 0 "[ . 1 . 2]" 1
32 1 9 ALA MB 1 10 ARG H . . 3.310 2.231 2.090 2.460 . 0 0 "[ . 1 . 2]" 1
33 1 9 ALA MB 1 10 ARG HA . . 4.530 4.015 3.893 4.106 . 0 0 "[ . 1 . 2]" 1
34 1 9 ALA MB 1 32 LEU HA . . 5.170 4.636 4.380 4.861 . 0 0 "[ . 1 . 2]" 1
35 1 9 ALA MB 1 32 LEU HB2 . . 4.530 4.018 3.723 4.389 . 0 0 "[ . 1 . 2]" 1
36 1 9 ALA MB 1 32 LEU HB3 . . 3.550 2.934 2.567 3.210 . 0 0 "[ . 1 . 2]" 1
37 1 9 ALA MB 1 32 LEU MD2 . . 4.020 3.602 3.091 3.893 . 0 0 "[ . 1 . 2]" 1
38 1 9 ALA MB 1 33 SER H . . 4.050 3.316 2.943 3.870 . 0 0 "[ . 1 . 2]" 1
39 1 9 ALA MB 1 34 THR H . . 3.690 2.612 2.259 3.281 . 0 0 "[ . 1 . 2]" 1
40 1 9 ALA MB 1 34 THR HB . . 4.680 3.887 3.412 4.188 . 0 0 "[ . 1 . 2]" 1
41 1 9 ALA MB 1 34 THR MG . . 3.130 1.771 1.664 2.044 . 0 0 "[ . 1 . 2]" 1
42 1 9 ALA MB 1 36 ILE HA . . 4.990 4.405 4.000 4.907 . 0 0 "[ . 1 . 2]" 1
43 1 9 ALA MB 1 36 ILE HB . . 4.420 2.289 1.977 2.737 . 0 0 "[ . 1 . 2]" 1
44 1 9 ALA MB 1 36 ILE MD . . 2.950 2.156 1.933 2.621 . 0 0 "[ . 1 . 2]" 1
45 1 9 ALA MB 1 36 ILE MG . . 2.890 2.403 1.863 2.729 . 0 0 "[ . 1 . 2]" 1
46 1 9 ALA MB 1 95 VAL MG2 . . 3.430 3.211 2.799 3.434 0.004 3 0 "[ . 1 . 2]" 1
47 1 10 ARG H 1 10 ARG HB2 . . 3.380 2.539 2.381 2.825 . 0 0 "[ . 1 . 2]" 1
48 1 10 ARG H 1 10 ARG HB3 . . 3.910 3.434 2.874 3.738 . 0 0 "[ . 1 . 2]" 1
49 1 10 ARG H 1 10 ARG QD . . 4.880 4.485 2.539 4.887 0.007 8 0 "[ . 1 . 2]" 1
50 1 10 ARG H 1 10 ARG QG . . 4.120 3.505 2.911 4.216 0.096 7 0 "[ . 1 . 2]" 1
51 1 10 ARG H 1 11 LEU H . . 4.780 4.483 4.415 4.530 . 0 0 "[ . 1 . 2]" 1
52 1 10 ARG H 1 32 LEU HA . . 5.450 4.959 4.687 5.283 . 0 0 "[ . 1 . 2]" 1
53 1 10 ARG H 1 32 LEU MD1 . . 5.500 5.165 4.547 5.504 0.004 19 0 "[ . 1 . 2]" 1
54 1 10 ARG H 1 32 LEU MD2 . . 4.880 4.619 4.127 4.884 0.004 3 0 "[ . 1 . 2]" 1
55 1 10 ARG H 1 33 SER H . . 3.540 2.990 2.538 3.445 . 0 0 "[ . 1 . 2]" 1
56 1 10 ARG H 1 33 SER HB2 . . 4.430 3.327 2.094 4.246 . 0 0 "[ . 1 . 2]" 1
57 1 10 ARG H 1 33 SER QB . . 3.870 2.453 1.768 3.402 . 0 0 "[ . 1 . 2]" 1
58 1 10 ARG H 1 33 SER HB3 . . 4.430 2.668 1.890 4.023 . 0 0 "[ . 1 . 2]" 1
59 1 10 ARG H 1 34 THR H . . 4.620 3.514 2.978 3.968 . 0 0 "[ . 1 . 2]" 1
60 1 10 ARG H 1 34 THR MG . . 4.360 3.192 2.469 3.882 . 0 0 "[ . 1 . 2]" 1
61 1 10 ARG H 1 36 ILE MD . . 5.500 5.110 4.794 5.527 0.027 15 0 "[ . 1 . 2]" 1
62 1 10 ARG H 1 95 VAL MG2 . . 4.650 3.741 3.433 4.051 . 0 0 "[ . 1 . 2]" 1
63 1 10 ARG HA 1 10 ARG QD . . 3.940 3.316 2.043 3.975 0.035 13 0 "[ . 1 . 2]" 1
64 1 10 ARG HA 1 10 ARG QG . . 3.800 2.300 2.124 2.572 . 0 0 "[ . 1 . 2]" 1
65 1 10 ARG HA 1 11 LEU H . . 2.770 2.341 2.186 2.502 . 0 0 "[ . 1 . 2]" 1
66 1 10 ARG HA 1 11 LEU HB2 . . 4.790 4.382 4.314 4.567 . 0 0 "[ . 1 . 2]" 1
67 1 10 ARG HA 1 11 LEU HB3 . . 4.790 4.766 4.634 4.822 0.032 11 0 "[ . 1 . 2]" 1
68 1 10 ARG HA 1 33 SER H . . 5.500 4.869 4.527 5.277 . 0 0 "[ . 1 . 2]" 1
69 1 10 ARG HA 1 95 VAL MG2 . . 3.490 2.288 2.010 2.597 . 0 0 "[ . 1 . 2]" 1
70 1 10 ARG HB2 1 11 LEU H . . 4.140 3.963 3.608 4.152 0.012 7 0 "[ . 1 . 2]" 1
71 1 10 ARG HB2 1 33 SER HA . . 5.460 5.196 4.532 5.511 0.051 16 0 "[ . 1 . 2]" 1
72 1 10 ARG HB2 1 33 SER HB2 . . 4.250 2.857 2.159 3.816 . 0 0 "[ . 1 . 2]" 1
73 1 10 ARG HB2 1 33 SER QB . . 3.600 2.492 1.927 3.001 . 0 0 "[ . 1 . 2]" 1
74 1 10 ARG HB2 1 33 SER HB3 . . 4.250 2.905 2.089 3.762 . 0 0 "[ . 1 . 2]" 1
75 1 10 ARG HB3 1 11 LEU H . . 3.790 2.857 2.224 3.628 . 0 0 "[ . 1 . 2]" 1
76 1 10 ARG HB3 1 12 VAL QG . . 4.680 3.979 3.322 4.377 . 0 0 "[ . 1 . 2]" 1
77 1 10 ARG HB3 1 33 SER QB . . 4.480 3.000 1.843 3.963 . 0 0 "[ . 1 . 2]" 1
78 1 10 ARG QD 1 11 LEU H . . 4.620 3.711 1.885 4.664 0.044 12 0 "[ . 1 . 2]" 1
79 1 10 ARG QD 1 12 VAL QG . . 5.440 4.973 3.234 5.505 0.065 12 0 "[ . 1 . 2]" 1
80 1 10 ARG QG 1 11 LEU H . . 4.190 3.322 1.985 4.199 0.009 14 0 "[ . 1 . 2]" 1
81 1 11 LEU H 1 11 LEU HB2 . . 3.120 2.667 2.412 2.887 . 0 0 "[ . 1 . 2]" 1
82 1 11 LEU H 1 11 LEU HB3 . . 3.120 2.533 2.396 2.613 . 0 0 "[ . 1 . 2]" 1
83 1 11 LEU H 1 11 LEU MD1 . . 5.300 4.142 3.907 4.283 . 0 0 "[ . 1 . 2]" 1
84 1 11 LEU H 1 11 LEU MD2 . . 4.950 4.307 4.222 4.402 . 0 0 "[ . 1 . 2]" 1
85 1 11 LEU H 1 11 LEU HG . . 4.600 4.491 4.411 4.543 . 0 0 "[ . 1 . 2]" 1
86 1 11 LEU H 1 12 VAL QG . . 5.160 4.512 4.357 4.768 . 0 0 "[ . 1 . 2]" 1
87 1 11 LEU H 1 32 LEU MD2 . . 5.500 4.448 3.965 4.806 . 0 0 "[ . 1 . 2]" 1
88 1 11 LEU H 1 95 VAL MG2 . . 3.520 2.257 1.863 2.696 . 0 0 "[ . 1 . 2]" 1
89 1 11 LEU HA 1 11 LEU MD1 . . 3.020 2.060 1.953 2.261 . 0 0 "[ . 1 . 2]" 1
90 1 11 LEU HA 1 11 LEU MD2 . . 4.180 3.861 3.797 3.908 . 0 0 "[ . 1 . 2]" 1
91 1 11 LEU HA 1 11 LEU HG . . 4.040 3.114 2.989 3.283 . 0 0 "[ . 1 . 2]" 1
92 1 11 LEU HA 1 12 VAL H . . 2.990 2.176 2.139 2.264 . 0 0 "[ . 1 . 2]" 1
93 1 11 LEU HA 1 12 VAL HB . . 5.500 5.109 4.532 5.613 0.113 7 0 "[ . 1 . 2]" 1
94 1 11 LEU HA 1 13 ALA H . . 3.980 3.877 3.417 4.024 0.044 11 0 "[ . 1 . 2]" 1
95 1 11 LEU HA 1 32 LEU HA . . 3.570 2.797 2.412 3.165 . 0 0 "[ . 1 . 2]" 1
96 1 11 LEU HA 1 32 LEU HB3 . . 4.360 4.142 3.817 4.376 0.016 15 0 "[ . 1 . 2]" 1
97 1 11 LEU HA 1 32 LEU MD2 . . 3.120 2.406 1.998 2.698 . 0 0 "[ . 1 . 2]" 1
98 1 11 LEU HA 1 95 VAL MG1 . . 4.620 3.264 2.794 3.567 . 0 0 "[ . 1 . 2]" 1
99 1 11 LEU HA 1 95 VAL MG2 . . 4.420 2.831 2.218 3.157 . 0 0 "[ . 1 . 2]" 1
100 1 11 LEU QB 1 11 LEU MD1 . . 3.060 2.294 2.178 2.392 . 0 0 "[ . 1 . 2]" 1
101 1 11 LEU QB 1 11 LEU MD2 . . 2.890 2.084 2.021 2.100 . 0 0 "[ . 1 . 2]" 1
102 1 11 LEU QB 1 95 VAL MG1 . . 3.450 1.786 1.755 1.831 . 0 0 "[ . 1 . 2]" 1
103 1 11 LEU QB 1 95 VAL MG2 . . 3.780 2.096 1.933 2.423 . 0 0 "[ . 1 . 2]" 1
104 1 11 LEU HB2 1 11 LEU MD2 . . 3.370 2.344 2.220 2.474 . 0 0 "[ . 1 . 2]" 1
105 1 11 LEU HB2 1 95 VAL MG1 . . 4.240 1.798 1.764 1.844 . 0 0 "[ . 1 . 2]" 1
106 1 11 LEU HB2 1 95 VAL MG2 . . 4.490 2.124 1.949 2.472 . 0 0 "[ . 1 . 2]" 1
107 1 11 LEU HB3 1 11 LEU MD2 . . 3.370 2.349 2.144 2.470 . 0 0 "[ . 1 . 2]" 1
108 1 11 LEU HB3 1 95 VAL MG1 . . 4.240 3.068 2.913 3.237 . 0 0 "[ . 1 . 2]" 1
109 1 11 LEU HB3 1 95 VAL MG2 . . 4.490 3.235 2.963 3.573 . 0 0 "[ . 1 . 2]" 1
110 1 11 LEU MD1 1 12 VAL H . . 3.740 2.435 2.050 3.006 . 0 0 "[ . 1 . 2]" 1
111 1 11 LEU MD1 1 13 ALA H . . 3.590 2.728 2.179 3.163 . 0 0 "[ . 1 . 2]" 1
112 1 11 LEU MD1 1 14 GLY H . . 4.170 3.450 3.244 3.629 . 0 0 "[ . 1 . 2]" 1
113 1 11 LEU MD1 1 14 GLY HA2 . . 3.200 2.096 1.979 2.246 . 0 0 "[ . 1 . 2]" 1
114 1 11 LEU MD1 1 14 GLY HA3 . . 3.580 3.468 3.355 3.576 . 0 0 "[ . 1 . 2]" 1
115 1 11 LEU MD1 1 15 LEU H . . 4.540 3.953 3.483 4.240 . 0 0 "[ . 1 . 2]" 1
116 1 11 LEU MD1 1 30 LEU HA . . 4.830 4.568 4.206 4.792 . 0 0 "[ . 1 . 2]" 1
117 1 11 LEU MD1 1 30 LEU QB . . 3.500 2.844 2.489 2.981 . 0 0 "[ . 1 . 2]" 1
118 1 11 LEU MD1 1 30 LEU MD1 . . 3.890 2.581 2.330 3.017 . 0 0 "[ . 1 . 2]" 1
119 1 11 LEU MD1 1 30 LEU QD . . 3.000 2.508 2.273 2.832 . 0 0 "[ . 1 . 2]" 1
120 1 11 LEU MD1 1 30 LEU MD2 . . 3.890 3.496 3.016 3.862 . 0 0 "[ . 1 . 2]" 1
121 1 11 LEU MD1 1 31 ASP H . . 4.030 3.470 3.313 3.682 . 0 0 "[ . 1 . 2]" 1
122 1 11 LEU MD1 1 32 LEU HA . . 4.270 3.355 2.956 4.010 . 0 0 "[ . 1 . 2]" 1
123 1 11 LEU MD1 1 97 ASP HB2 . . 4.500 3.826 3.300 4.275 . 0 0 "[ . 1 . 2]" 1
124 1 11 LEU MD1 1 97 ASP QB . . 3.680 3.364 3.030 3.625 . 0 0 "[ . 1 . 2]" 1
125 1 11 LEU MD1 1 97 ASP HB3 . . 4.500 3.752 3.171 4.030 . 0 0 "[ . 1 . 2]" 1
126 1 11 LEU MD2 1 14 GLY H . . 3.740 3.191 2.812 3.600 . 0 0 "[ . 1 . 2]" 1
127 1 11 LEU MD2 1 14 GLY HA2 . . 3.430 2.222 1.994 2.604 . 0 0 "[ . 1 . 2]" 1
128 1 11 LEU MD2 1 14 GLY HA3 . . 3.170 2.517 2.237 2.908 . 0 0 "[ . 1 . 2]" 1
129 1 11 LEU MD2 1 15 LEU H . . 4.370 3.761 3.470 4.230 . 0 0 "[ . 1 . 2]" 1
130 1 11 LEU MD2 1 30 LEU MD1 . . 5.000 4.481 4.213 4.857 . 0 0 "[ . 1 . 2]" 1
131 1 11 LEU MD2 1 30 LEU QD . . 4.340 4.066 3.766 4.200 . 0 0 "[ . 1 . 2]" 1
132 1 11 LEU MD2 1 30 LEU MD2 . . 5.000 4.693 4.241 5.005 0.005 2 0 "[ . 1 . 2]" 1
133 1 11 LEU MD2 1 31 ASP H . . 5.500 5.510 5.483 5.542 0.042 14 0 "[ . 1 . 2]" 1
134 1 11 LEU MD2 1 96 GLN H . . 4.240 3.870 3.395 4.133 . 0 0 "[ . 1 . 2]" 1
135 1 11 LEU MD2 1 97 ASP H . . 5.500 4.551 4.269 4.868 . 0 0 "[ . 1 . 2]" 1
136 1 11 LEU MD2 1 97 ASP HA . . 4.610 4.337 3.911 4.515 . 0 0 "[ . 1 . 2]" 1
137 1 11 LEU MD2 1 97 ASP HB2 . . 4.070 2.397 2.078 3.308 . 0 0 "[ . 1 . 2]" 1
138 1 11 LEU MD2 1 97 ASP QB . . 3.450 2.194 2.002 2.394 . 0 0 "[ . 1 . 2]" 1
139 1 11 LEU MD2 1 97 ASP HB3 . . 4.070 2.867 2.034 3.383 . 0 0 "[ . 1 . 2]" 1
140 1 11 LEU HG 1 12 VAL H . . 4.690 3.072 2.417 3.912 . 0 0 "[ . 1 . 2]" 1
141 1 11 LEU HG 1 12 VAL HA . . 5.110 4.187 3.847 4.737 . 0 0 "[ . 1 . 2]" 1
142 1 11 LEU HG 1 13 ALA H . . 4.290 3.191 2.939 3.500 . 0 0 "[ . 1 . 2]" 1
143 1 11 LEU HG 1 14 GLY H . . 4.340 3.045 2.666 3.680 . 0 0 "[ . 1 . 2]" 1
144 1 11 LEU HG 1 14 GLY HA2 . . 4.420 3.365 2.866 4.055 . 0 0 "[ . 1 . 2]" 1
145 1 11 LEU HG 1 14 GLY HA3 . . 4.600 3.908 3.478 4.472 . 0 0 "[ . 1 . 2]" 1
146 1 11 LEU HG 1 32 LEU HA . . 5.500 5.166 4.730 5.511 0.011 4 0 "[ . 1 . 2]" 1
147 1 11 LEU HG 1 32 LEU MD2 . . 4.570 4.318 4.091 4.570 . 0 0 "[ . 1 . 2]" 1
148 1 11 LEU HG 1 95 VAL MG1 . . 4.000 3.871 3.674 3.986 . 0 0 "[ . 1 . 2]" 1
149 1 11 LEU HG 1 95 VAL MG2 . . 4.880 4.630 4.282 4.887 0.007 11 0 "[ . 1 . 2]" 1
150 1 12 VAL H 1 12 VAL HB . . 3.710 3.075 2.438 3.655 . 0 0 "[ . 1 . 2]" 1
151 1 12 VAL H 1 12 VAL MG1 . . 3.970 3.593 3.238 3.871 . 0 0 "[ . 1 . 2]" 1
152 1 12 VAL H 1 12 VAL QG . . 3.180 2.188 1.864 2.696 . 0 0 "[ . 1 . 2]" 1
153 1 12 VAL H 1 12 VAL MG2 . . 3.970 2.210 1.871 2.751 . 0 0 "[ . 1 . 2]" 1
154 1 12 VAL H 1 13 ALA H . . 2.820 2.082 1.857 2.392 . 0 0 "[ . 1 . 2]" 1
155 1 12 VAL H 1 13 ALA MB . . 4.510 4.270 4.100 4.488 . 0 0 "[ . 1 . 2]" 1
156 1 12 VAL H 1 31 ASP H . . 4.970 4.413 4.115 4.894 . 0 0 "[ . 1 . 2]" 1
157 1 12 VAL H 1 31 ASP HB2 . . 4.930 4.076 3.822 4.494 . 0 0 "[ . 1 . 2]" 1
158 1 12 VAL H 1 32 LEU HA . . 3.490 2.492 1.957 2.843 . 0 0 "[ . 1 . 2]" 1
159 1 12 VAL H 1 32 LEU MD2 . . 3.800 3.208 2.588 3.662 . 0 0 "[ . 1 . 2]" 1
160 1 12 VAL H 1 33 SER H . . 4.660 4.221 3.136 4.681 0.021 18 0 "[ . 1 . 2]" 1
161 1 12 VAL HA 1 12 VAL MG1 . . 3.200 2.187 1.978 2.393 . 0 0 "[ . 1 . 2]" 1
162 1 12 VAL HA 1 12 VAL QG . . 2.760 2.067 1.957 2.160 . 0 0 "[ . 1 . 2]" 1
163 1 12 VAL HA 1 12 VAL MG2 . . 3.200 2.768 2.314 3.139 . 0 0 "[ . 1 . 2]" 1
164 1 12 VAL HA 1 13 ALA MB . . 4.650 4.587 4.381 4.659 0.009 1 0 "[ . 1 . 2]" 1
165 1 12 VAL HB 1 13 ALA H . . 3.640 3.033 2.482 3.386 . 0 0 "[ . 1 . 2]" 1
166 1 12 VAL HB 1 31 ASP H . . 5.500 5.019 4.279 5.541 0.041 5 0 "[ . 1 . 2]" 1
167 1 12 VAL HB 1 31 ASP HB2 . . 4.060 3.106 2.508 3.567 . 0 0 "[ . 1 . 2]" 1
168 1 12 VAL HB 1 31 ASP HB3 . . 4.330 3.451 2.641 4.098 . 0 0 "[ . 1 . 2]" 1
169 1 12 VAL HB 1 32 LEU H . . 5.500 4.534 3.288 5.506 0.006 18 0 "[ . 1 . 2]" 1
170 1 12 VAL HB 1 32 LEU HA . . 5.340 4.051 2.739 5.229 . 0 0 "[ . 1 . 2]" 1
171 1 12 VAL HB 1 33 SER HA . . 5.500 4.971 4.114 5.523 0.023 5 0 "[ . 1 . 2]" 1
172 1 12 VAL QG 1 13 ALA H . . 3.470 2.676 1.974 3.436 . 0 0 "[ . 1 . 2]" 1
173 1 12 VAL QG 1 13 ALA MB . . 3.240 2.930 2.629 3.098 . 0 0 "[ . 1 . 2]" 1
174 1 12 VAL QG 1 31 ASP H . . 4.890 4.146 3.448 4.838 . 0 0 "[ . 1 . 2]" 1
175 1 12 VAL QG 1 31 ASP HB2 . . 3.720 2.550 2.028 3.195 . 0 0 "[ . 1 . 2]" 1
176 1 12 VAL QG 1 31 ASP HB3 . . 3.790 2.651 1.980 3.513 . 0 0 "[ . 1 . 2]" 1
177 1 12 VAL QG 1 32 LEU H . . 4.190 3.194 2.686 4.035 . 0 0 "[ . 1 . 2]" 1
178 1 12 VAL QG 1 32 LEU HA . . 3.730 2.274 1.962 2.966 . 0 0 "[ . 1 . 2]" 1
179 1 12 VAL QG 1 33 SER H . . 3.770 2.700 2.110 3.292 . 0 0 "[ . 1 . 2]" 1
180 1 12 VAL QG 1 33 SER HA . . 3.310 2.418 1.878 2.882 . 0 0 "[ . 1 . 2]" 1
181 1 12 VAL QG 1 33 SER QB . . 3.350 2.675 1.968 3.425 0.075 1 0 "[ . 1 . 2]" 1
182 1 12 VAL MG1 1 13 ALA H . . 4.240 3.872 3.326 4.199 . 0 0 "[ . 1 . 2]" 1
183 1 12 VAL MG1 1 31 ASP HB2 . . 4.670 3.822 2.770 4.673 0.003 2 0 "[ . 1 . 2]" 1
184 1 12 VAL MG1 1 31 ASP HB3 . . 4.710 3.883 2.874 4.604 . 0 0 "[ . 1 . 2]" 1
185 1 12 VAL MG1 1 32 LEU H . . 4.970 4.805 4.422 4.978 0.008 7 0 "[ . 1 . 2]" 1
186 1 12 VAL MG1 1 32 LEU HA . . 4.590 4.245 3.918 4.603 0.013 15 0 "[ . 1 . 2]" 1
187 1 12 VAL MG1 1 33 SER H . . 4.770 4.488 3.978 4.895 0.125 16 0 "[ . 1 . 2]" 1
188 1 12 VAL MG2 1 13 ALA H . . 4.240 2.957 1.978 3.971 . 0 0 "[ . 1 . 2]" 1
189 1 12 VAL MG2 1 31 ASP HB2 . . 4.670 3.223 2.031 4.604 . 0 0 "[ . 1 . 2]" 1
190 1 12 VAL MG2 1 31 ASP HB3 . . 4.710 3.130 1.983 4.430 . 0 0 "[ . 1 . 2]" 1
191 1 12 VAL MG2 1 32 LEU H . . 4.970 3.279 2.700 4.275 . 0 0 "[ . 1 . 2]" 1
192 1 12 VAL MG2 1 32 LEU HA . . 4.590 2.285 1.964 3.003 . 0 0 "[ . 1 . 2]" 1
193 1 12 VAL MG2 1 33 SER H . . 4.770 2.768 2.112 3.468 . 0 0 "[ . 1 . 2]" 1
194 1 13 ALA H 1 13 ALA MB . . 3.090 2.646 2.595 2.820 . 0 0 "[ . 1 . 2]" 1
195 1 13 ALA H 1 14 GLY H . . 4.180 3.604 3.358 3.910 . 0 0 "[ . 1 . 2]" 1
196 1 13 ALA H 1 31 ASP H . . 3.350 2.944 2.789 3.268 . 0 0 "[ . 1 . 2]" 1
197 1 13 ALA H 1 31 ASP HB2 . . 3.420 2.703 2.361 3.028 . 0 0 "[ . 1 . 2]" 1
198 1 13 ALA H 1 31 ASP HB3 . . 4.290 4.045 3.754 4.302 0.012 16 0 "[ . 1 . 2]" 1
199 1 13 ALA H 1 32 LEU HA . . 4.350 3.916 3.690 4.095 . 0 0 "[ . 1 . 2]" 1
200 1 13 ALA H 1 32 LEU MD2 . . 4.930 4.030 3.584 4.422 . 0 0 "[ . 1 . 2]" 1
201 1 13 ALA HA 1 14 GLY H . . 2.620 2.295 2.147 2.418 . 0 0 "[ . 1 . 2]" 1
202 1 13 ALA MB 1 14 GLY H . . 3.660 3.589 3.314 3.693 0.033 18 0 "[ . 1 . 2]" 1
203 1 13 ALA MB 1 14 GLY HA3 . . 5.120 4.963 4.833 5.024 . 0 0 "[ . 1 . 2]" 1
204 1 13 ALA MB 1 31 ASP H . . 3.350 2.152 1.875 2.541 . 0 0 "[ . 1 . 2]" 1
205 1 13 ALA MB 1 31 ASP HB2 . . 3.120 1.870 1.787 2.111 . 0 0 "[ . 1 . 2]" 1
206 1 13 ALA MB 1 31 ASP HB3 . . 3.730 3.245 3.062 3.539 . 0 0 "[ . 1 . 2]" 1
207 1 14 GLY H 1 14 GLY HA3 . . 2.900 2.303 2.294 2.315 . 0 0 "[ . 1 . 2]" 1
208 1 14 GLY H 1 15 LEU H . . 4.670 4.626 4.597 4.647 . 0 0 "[ . 1 . 2]" 1
209 1 14 GLY HA2 1 15 LEU H . . 3.130 2.425 2.269 2.525 . 0 0 "[ . 1 . 2]" 1
210 1 14 GLY HA2 1 30 LEU HB2 . . 4.440 3.290 3.017 3.605 . 0 0 "[ . 1 . 2]" 1
211 1 14 GLY HA2 1 30 LEU QB . . 3.740 3.155 2.867 3.281 . 0 0 "[ . 1 . 2]" 1
212 1 14 GLY HA2 1 30 LEU HB3 . . 4.440 4.089 3.582 4.340 . 0 0 "[ . 1 . 2]" 1
213 1 14 GLY HA2 1 30 LEU QD . . 4.500 3.757 3.472 3.862 . 0 0 "[ . 1 . 2]" 1
214 1 14 GLY HA3 1 15 LEU H . . 3.180 2.714 2.602 2.914 . 0 0 "[ . 1 . 2]" 1
215 1 14 GLY HA3 1 15 LEU HB2 . . 5.460 4.878 4.717 5.059 . 0 0 "[ . 1 . 2]" 1
216 1 14 GLY HA3 1 30 LEU QB . . 4.570 4.552 4.283 4.587 0.017 15 0 "[ . 1 . 2]" 1
217 1 14 GLY HA3 1 30 LEU QD . . 5.440 5.027 4.721 5.120 . 0 0 "[ . 1 . 2]" 1
218 1 15 LEU H 1 15 LEU HB2 . . 3.140 2.439 2.266 2.661 . 0 0 "[ . 1 . 2]" 1
219 1 15 LEU H 1 15 LEU HB3 . . 3.640 3.581 3.539 3.597 . 0 0 "[ . 1 . 2]" 1
220 1 15 LEU H 1 15 LEU MD1 . . 3.890 3.097 1.834 3.643 . 0 0 "[ . 1 . 2]" 1
221 1 15 LEU H 1 15 LEU MD2 . . 3.890 3.517 1.757 3.972 0.082 19 0 "[ . 1 . 2]" 1
222 1 15 LEU H 1 15 LEU HG . . 3.940 2.665 1.994 3.940 . 0 0 "[ . 1 . 2]" 1
223 1 15 LEU H 1 16 GLU H . . 4.690 4.593 4.525 4.649 . 0 0 "[ . 1 . 2]" 1
224 1 15 LEU H 1 30 LEU HB2 . . 5.120 4.045 3.367 4.468 . 0 0 "[ . 1 . 2]" 1
225 1 15 LEU H 1 30 LEU QB . . 4.420 3.451 2.994 3.798 . 0 0 "[ . 1 . 2]" 1
226 1 15 LEU H 1 30 LEU HB3 . . 5.120 3.762 3.354 4.110 . 0 0 "[ . 1 . 2]" 1
227 1 15 LEU H 1 30 LEU MD1 . . 5.500 5.125 4.566 5.505 0.005 15 0 "[ . 1 . 2]" 1
228 1 15 LEU H 1 30 LEU QD . . 4.130 3.818 3.529 4.047 . 0 0 "[ . 1 . 2]" 1
229 1 15 LEU H 1 30 LEU MD2 . . 5.500 3.945 3.656 4.213 . 0 0 "[ . 1 . 2]" 1
230 1 15 LEU H 1 97 ASP HB2 . . 4.750 4.446 3.197 4.759 0.009 18 0 "[ . 1 . 2]" 1
231 1 15 LEU H 1 97 ASP QB . . 4.180 3.298 3.125 3.491 . 0 0 "[ . 1 . 2]" 1
232 1 15 LEU H 1 97 ASP HB3 . . 4.750 3.553 3.226 4.404 . 0 0 "[ . 1 . 2]" 1
233 1 15 LEU H 1 99 ALA MB . . 4.750 4.453 4.112 4.747 . 0 0 "[ . 1 . 2]" 1
234 1 15 LEU HA 1 15 LEU MD1 . . 4.340 3.564 1.955 3.940 . 0 0 "[ . 1 . 2]" 1
235 1 15 LEU HA 1 15 LEU QD . . 3.040 2.433 1.912 3.116 0.076 17 0 "[ . 1 . 2]" 1
236 1 15 LEU HA 1 15 LEU MD2 . . 4.340 2.612 2.268 3.589 . 0 0 "[ . 1 . 2]" 1
237 1 15 LEU HA 1 15 LEU HG . . 3.710 2.895 2.461 3.760 0.050 16 0 "[ . 1 . 2]" 1
238 1 15 LEU HA 1 16 GLU H . . 2.680 2.489 2.325 2.657 . 0 0 "[ . 1 . 2]" 1
239 1 15 LEU HA 1 16 GLU QB . . 5.000 4.329 4.063 4.466 . 0 0 "[ . 1 . 2]" 1
240 1 15 LEU HA 1 16 GLU QG . . 4.950 3.582 3.195 4.200 . 0 0 "[ . 1 . 2]" 1
241 1 15 LEU HA 1 29 SER H . . 4.620 3.966 3.618 4.373 . 0 0 "[ . 1 . 2]" 1
242 1 15 LEU HA 1 30 LEU QB . . 4.510 2.952 2.686 3.491 . 0 0 "[ . 1 . 2]" 1
243 1 15 LEU HA 1 30 LEU QD . . 4.600 4.040 3.604 4.552 . 0 0 "[ . 1 . 2]" 1
244 1 15 LEU HA 1 99 ALA MB . . 4.550 4.256 3.950 4.559 0.009 11 0 "[ . 1 . 2]" 1
245 1 15 LEU HB2 1 16 GLU H . . 3.990 3.496 3.100 3.853 . 0 0 "[ . 1 . 2]" 1
246 1 15 LEU HB2 1 98 SER H . . 4.560 4.504 4.104 4.577 0.017 4 0 "[ . 1 . 2]" 1
247 1 15 LEU HB2 1 99 ALA H . . 4.780 4.030 3.518 4.622 . 0 0 "[ . 1 . 2]" 1
248 1 15 LEU HB3 1 16 GLU H . . 3.650 2.249 1.902 2.605 . 0 0 "[ . 1 . 2]" 1
249 1 15 LEU HB3 1 28 PHE QD . . 5.190 3.211 2.636 3.861 . 0 0 "[ . 1 . 2]" 1
250 1 15 LEU HB3 1 99 ALA MB . . 3.590 2.276 1.945 2.640 . 0 0 "[ . 1 . 2]" 1
251 1 15 LEU QD 1 16 GLU H . . 3.570 3.164 2.900 3.536 . 0 0 "[ . 1 . 2]" 1
252 1 15 LEU QD 1 28 PHE HB2 . . 3.760 3.363 2.977 3.767 0.007 16 0 "[ . 1 . 2]" 1
253 1 15 LEU QD 1 28 PHE HB3 . . 3.200 2.186 1.941 2.480 . 0 0 "[ . 1 . 2]" 1
254 1 15 LEU QD 1 28 PHE QD . . 3.340 3.007 2.504 3.348 0.008 3 0 "[ . 1 . 2]" 1
255 1 15 LEU QD 1 29 SER H . . 3.350 2.869 2.440 3.352 0.002 7 0 "[ . 1 . 2]" 1
256 1 15 LEU QD 1 29 SER HA . . 4.180 3.526 2.876 3.995 . 0 0 "[ . 1 . 2]" 1
257 1 15 LEU QD 1 30 LEU H . . 4.500 3.894 3.322 4.411 . 0 0 "[ . 1 . 2]" 1
258 1 15 LEU QD 1 30 LEU QB . . 3.420 2.180 1.806 2.548 . 0 0 "[ . 1 . 2]" 1
259 1 15 LEU QD 1 30 LEU QD . . 2.910 1.950 1.585 2.359 . 0 0 "[ . 1 . 2]" 1
260 1 15 LEU QD 1 40 TRP HA . . 5.440 5.250 4.962 5.465 0.025 16 0 "[ . 1 . 2]" 1
261 1 15 LEU QD 1 40 TRP HH2 . . 3.490 1.999 1.849 2.239 . 0 0 "[ . 1 . 2]" 1
262 1 15 LEU QD 1 40 TRP HZ2 . . 5.170 3.859 3.599 4.300 . 0 0 "[ . 1 . 2]" 1
263 1 15 LEU QD 1 40 TRP HZ3 . . 3.190 2.175 1.859 2.586 . 0 0 "[ . 1 . 2]" 1
264 1 15 LEU QD 1 72 HIS HB3 . . 5.440 5.126 4.831 5.410 . 0 0 "[ . 1 . 2]" 1
265 1 15 LEU QD 1 89 GLY HA2 . . 4.330 2.281 1.858 3.075 . 0 0 "[ . 1 . 2]" 1
266 1 15 LEU QD 1 89 GLY HA3 . . 4.370 3.555 3.187 4.168 . 0 0 "[ . 1 . 2]" 1
267 1 15 LEU QD 1 90 PHE H . . 3.890 2.371 2.131 2.671 . 0 0 "[ . 1 . 2]" 1
268 1 15 LEU QD 1 90 PHE HA . . 4.950 4.169 3.943 4.488 . 0 0 "[ . 1 . 2]" 1
269 1 15 LEU QD 1 90 PHE QB . . 3.740 2.621 2.268 2.932 . 0 0 "[ . 1 . 2]" 1
270 1 15 LEU QD 1 97 ASP HA . . 4.890 4.700 4.167 4.901 0.011 6 0 "[ . 1 . 2]" 1
271 1 15 LEU QD 1 97 ASP QB . . 3.510 2.926 2.300 3.274 . 0 0 "[ . 1 . 2]" 1
272 1 15 LEU QD 1 98 SER H . . 3.970 3.708 3.298 3.974 0.004 16 0 "[ . 1 . 2]" 1
273 1 15 LEU QD 1 98 SER HA . . 3.540 2.435 2.032 3.256 . 0 0 "[ . 1 . 2]" 1
274 1 15 LEU QD 1 99 ALA H . . 3.990 3.058 2.354 4.017 0.027 16 0 "[ . 1 . 2]" 1
275 1 15 LEU QD 1 99 ALA MB . . 3.620 2.642 2.021 3.311 . 0 0 "[ . 1 . 2]" 1
276 1 15 LEU MD1 1 16 GLU H . . 4.810 4.318 2.936 4.773 . 0 0 "[ . 1 . 2]" 1
277 1 15 LEU MD1 1 40 TRP HH2 . . 4.900 3.404 1.944 4.158 . 0 0 "[ . 1 . 2]" 1
278 1 15 LEU MD1 1 40 TRP HZ3 . . 3.750 2.756 2.007 3.617 . 0 0 "[ . 1 . 2]" 1
279 1 15 LEU MD2 1 16 GLU H . . 4.810 3.443 2.996 4.486 . 0 0 "[ . 1 . 2]" 1
280 1 15 LEU MD2 1 40 TRP HH2 . . 4.900 2.294 1.856 3.890 . 0 0 "[ . 1 . 2]" 1
281 1 15 LEU MD2 1 40 TRP HZ3 . . 3.750 2.517 1.865 3.751 0.001 9 0 "[ . 1 . 2]" 1
282 1 15 LEU HG 1 30 LEU QD . . 3.310 2.517 2.063 3.421 0.111 16 0 "[ . 1 . 2]" 1
283 1 15 LEU HG 1 97 ASP QB . . 4.870 4.222 3.630 4.875 0.005 3 0 "[ . 1 . 2]" 1
284 1 16 GLU H 1 16 GLU HB2 . . 3.910 3.060 2.617 3.920 0.010 6 0 "[ . 1 . 2]" 1
285 1 16 GLU H 1 16 GLU QB . . 3.430 2.782 2.571 3.160 . 0 0 "[ . 1 . 2]" 1
286 1 16 GLU H 1 16 GLU HB3 . . 3.910 3.634 3.128 3.897 . 0 0 "[ . 1 . 2]" 1
287 1 16 GLU H 1 16 GLU HG2 . . 4.340 3.372 2.076 4.341 0.001 9 0 "[ . 1 . 2]" 1
288 1 16 GLU H 1 16 GLU QG . . 3.690 2.806 2.050 3.480 . 0 0 "[ . 1 . 2]" 1
289 1 16 GLU H 1 16 GLU HG3 . . 4.340 3.367 2.755 4.290 . 0 0 "[ . 1 . 2]" 1
290 1 16 GLU H 1 28 PHE QD . . 4.580 3.061 2.623 3.752 . 0 0 "[ . 1 . 2]" 1
291 1 16 GLU H 1 29 SER H . . 4.680 3.863 3.327 4.498 . 0 0 "[ . 1 . 2]" 1
292 1 16 GLU H 1 99 ALA MB . . 4.020 3.264 2.865 3.726 . 0 0 "[ . 1 . 2]" 1
293 1 16 GLU HA 1 16 GLU HG2 . . 3.830 3.102 2.434 3.817 . 0 0 "[ . 1 . 2]" 1
294 1 16 GLU HA 1 16 GLU QG . . 3.360 2.786 2.376 3.340 . 0 0 "[ . 1 . 2]" 1
295 1 16 GLU HA 1 16 GLU HG3 . . 3.830 3.363 2.417 3.827 . 0 0 "[ . 1 . 2]" 1
296 1 16 GLU HA 1 17 ASP H . . 2.840 2.255 2.144 2.474 . 0 0 "[ . 1 . 2]" 1
297 1 16 GLU HA 1 17 ASP QB . . 4.880 4.416 4.103 4.642 . 0 0 "[ . 1 . 2]" 1
298 1 16 GLU HA 1 99 ALA MB . . 4.120 3.647 3.348 4.116 . 0 0 "[ . 1 . 2]" 1
299 1 16 GLU HB2 1 17 ASP H . . 4.160 3.612 2.691 4.178 0.018 14 0 "[ . 1 . 2]" 1
300 1 16 GLU HB3 1 17 ASP H . . 4.160 3.204 2.280 4.167 0.007 2 0 "[ . 1 . 2]" 1
301 1 16 GLU QG 1 17 ASP H . . 4.600 4.071 3.558 4.464 . 0 0 "[ . 1 . 2]" 1
302 1 17 ASP H 1 17 ASP HB2 . . 3.630 3.278 2.441 3.641 0.011 15 0 "[ . 1 . 2]" 1
303 1 17 ASP H 1 17 ASP HB3 . . 3.630 2.776 2.222 3.590 . 0 0 "[ . 1 . 2]" 1
304 1 17 ASP H 1 99 ALA MB . . 4.170 3.700 3.225 4.160 . 0 0 "[ . 1 . 2]" 1
305 1 17 ASP HA 1 18 VAL H . . 2.850 2.212 2.144 2.306 . 0 0 "[ . 1 . 2]" 1
306 1 17 ASP HA 1 18 VAL HA . . 4.910 4.430 4.396 4.474 . 0 0 "[ . 1 . 2]" 1
307 1 17 ASP HA 1 18 VAL QG . . 4.470 3.582 3.451 3.784 . 0 0 "[ . 1 . 2]" 1
308 1 17 ASP HA 1 28 PHE QE . . 4.230 3.056 2.390 3.760 . 0 0 "[ . 1 . 2]" 1
309 1 17 ASP HA 1 99 ALA MB . . 3.030 2.664 1.988 2.972 . 0 0 "[ . 1 . 2]" 1
310 1 17 ASP HA 1 100 ALA H . . 3.270 2.827 2.027 3.187 . 0 0 "[ . 1 . 2]" 1
311 1 17 ASP QB 1 99 ALA MB . . 4.430 3.807 3.264 4.259 . 0 0 "[ . 1 . 2]" 1
312 1 17 ASP QB 1 100 ALA H . . 4.010 3.337 2.290 3.957 . 0 0 "[ . 1 . 2]" 1
313 1 17 ASP QB 1 100 ALA MB . . 4.000 3.334 2.261 3.865 . 0 0 "[ . 1 . 2]" 1
314 1 17 ASP HB2 1 18 VAL H . . 4.130 3.315 2.689 4.143 0.013 14 0 "[ . 1 . 2]" 1
315 1 17 ASP HB2 1 99 ALA MB . . 5.280 4.572 3.534 5.137 . 0 0 "[ . 1 . 2]" 1
316 1 17 ASP HB2 1 100 ALA MB . . 4.750 3.862 2.279 4.737 . 0 0 "[ . 1 . 2]" 1
317 1 17 ASP HB3 1 18 VAL H . . 4.130 3.896 2.946 4.142 0.012 2 0 "[ . 1 . 2]" 1
318 1 17 ASP HB3 1 99 ALA MB . . 5.280 4.204 3.402 5.152 . 0 0 "[ . 1 . 2]" 1
319 1 17 ASP HB3 1 100 ALA MB . . 4.750 3.869 3.353 4.755 0.005 14 0 "[ . 1 . 2]" 1
320 1 18 VAL H 1 18 VAL HB . . 3.160 2.799 2.623 3.205 0.045 16 0 "[ . 1 . 2]" 1
321 1 18 VAL H 1 18 VAL MG1 . . 4.240 3.812 2.408 3.943 . 0 0 "[ . 1 . 2]" 1
322 1 18 VAL H 1 18 VAL QG . . 3.330 2.889 2.388 3.056 . 0 0 "[ . 1 . 2]" 1
323 1 18 VAL H 1 18 VAL MG2 . . 4.240 3.062 2.888 3.953 . 0 0 "[ . 1 . 2]" 1
324 1 18 VAL H 1 28 PHE QE . . 4.100 2.825 2.374 3.955 . 0 0 "[ . 1 . 2]" 1
325 1 18 VAL H 1 28 PHE HZ . . 4.400 3.452 2.848 4.259 . 0 0 "[ . 1 . 2]" 1
326 1 18 VAL H 1 100 ALA H . . 4.470 4.174 3.685 4.453 . 0 0 "[ . 1 . 2]" 1
327 1 18 VAL H 1 100 ALA MB . . 4.600 4.469 4.068 4.603 0.003 5 0 "[ . 1 . 2]" 1
328 1 18 VAL H 1 101 LEU HA . . 3.980 3.135 2.879 3.401 . 0 0 "[ . 1 . 2]" 1
329 1 18 VAL H 1 101 LEU QD . . 4.460 3.912 3.228 4.459 . 0 0 "[ . 1 . 2]" 1
330 1 18 VAL H 1 102 THR H . . 4.340 4.006 3.482 4.338 . 0 0 "[ . 1 . 2]" 1
331 1 18 VAL HA 1 18 VAL MG1 . . 3.260 2.456 2.355 3.199 . 0 0 "[ . 1 . 2]" 1
332 1 18 VAL HA 1 18 VAL MG2 . . 3.260 2.297 2.193 2.423 . 0 0 "[ . 1 . 2]" 1
333 1 18 VAL HA 1 19 GLN H . . 2.650 2.214 2.145 2.303 . 0 0 "[ . 1 . 2]" 1
334 1 18 VAL HA 1 19 GLN HA . . 4.750 4.430 4.394 4.475 . 0 0 "[ . 1 . 2]" 1
335 1 18 VAL HA 1 19 GLN QB . . 4.220 4.102 4.005 4.233 0.013 14 0 "[ . 1 . 2]" 1
336 1 18 VAL HA 1 19 GLN QG . . 4.860 4.247 4.015 4.424 . 0 0 "[ . 1 . 2]" 1
337 1 18 VAL HB 1 19 GLN H . . 4.590 4.028 3.784 4.278 . 0 0 "[ . 1 . 2]" 1
338 1 18 VAL HB 1 28 PHE QE . . 4.290 2.699 2.060 3.508 . 0 0 "[ . 1 . 2]" 1
339 1 18 VAL HB 1 28 PHE HZ . . 4.010 2.541 2.039 3.963 . 0 0 "[ . 1 . 2]" 1
340 1 18 VAL HB 1 101 LEU HA . . 4.470 3.825 3.615 4.481 0.011 16 0 "[ . 1 . 2]" 1
341 1 18 VAL HB 1 101 LEU QD . . 3.790 2.926 2.297 3.884 0.094 16 0 "[ . 1 . 2]" 1
342 1 18 VAL QG 1 19 GLN H . . 3.100 2.313 1.932 2.699 . 0 0 "[ . 1 . 2]" 1
343 1 18 VAL QG 1 19 GLN HA . . 4.220 3.334 3.126 3.486 . 0 0 "[ . 1 . 2]" 1
344 1 18 VAL QG 1 19 GLN QB . . 4.530 4.123 3.892 4.312 . 0 0 "[ . 1 . 2]" 1
345 1 18 VAL QG 1 19 GLN QG . . 4.540 4.062 3.852 4.266 . 0 0 "[ . 1 . 2]" 1
346 1 18 VAL QG 1 20 VAL H . . 4.200 3.940 3.709 4.116 . 0 0 "[ . 1 . 2]" 1
347 1 18 VAL QG 1 20 VAL HA . . 5.180 4.684 4.525 4.864 . 0 0 "[ . 1 . 2]" 1
348 1 18 VAL QG 1 20 VAL HB . . 5.280 4.876 4.693 5.023 . 0 0 "[ . 1 . 2]" 1
349 1 18 VAL QG 1 20 VAL MG1 . . 2.610 2.413 2.299 2.598 . 0 0 "[ . 1 . 2]" 1
350 1 18 VAL QG 1 26 ALA HA . . 3.630 2.939 2.498 3.366 . 0 0 "[ . 1 . 2]" 1
351 1 18 VAL QG 1 26 ALA MB . . 3.140 2.702 2.283 3.156 0.016 4 0 "[ . 1 . 2]" 1
352 1 18 VAL QG 1 27 VAL H . . 3.550 2.454 2.026 2.804 . 0 0 "[ . 1 . 2]" 1
353 1 18 VAL QG 1 27 VAL HA . . 5.440 4.365 4.077 4.846 . 0 0 "[ . 1 . 2]" 1
354 1 18 VAL QG 1 27 VAL HB . . 5.090 4.148 3.095 5.105 0.015 2 0 "[ . 1 . 2]" 1
355 1 18 VAL QG 1 28 PHE HB2 . . 5.440 4.802 4.361 5.260 . 0 0 "[ . 1 . 2]" 1
356 1 18 VAL QG 1 28 PHE QE . . 3.490 2.352 2.021 2.705 . 0 0 "[ . 1 . 2]" 1
357 1 18 VAL QG 1 99 ALA MB . . 4.610 4.015 3.651 4.315 . 0 0 "[ . 1 . 2]" 1
358 1 18 VAL QG 1 101 LEU HA . . 4.290 4.066 1.865 4.298 0.008 15 0 "[ . 1 . 2]" 1
359 1 18 VAL QG 1 101 LEU QD . . 3.120 2.794 1.658 3.121 0.001 6 0 "[ . 1 . 2]" 1
360 1 18 VAL QG 1 102 THR H . . 4.660 4.338 2.382 4.662 0.002 14 0 "[ . 1 . 2]" 1
361 1 18 VAL MG1 1 19 GLN H . . 4.000 2.407 1.939 3.562 . 0 0 "[ . 1 . 2]" 1
362 1 18 VAL MG1 1 27 VAL H . . 4.510 2.587 2.125 3.584 . 0 0 "[ . 1 . 2]" 1
363 1 18 VAL MG1 1 28 PHE QE . . 4.230 3.709 2.444 4.100 . 0 0 "[ . 1 . 2]" 1
364 1 18 VAL MG1 1 101 LEU HA . . 4.970 4.389 1.867 4.702 . 0 0 "[ . 1 . 2]" 1
365 1 18 VAL MG2 1 19 GLN H . . 4.000 3.804 2.110 3.998 . 0 0 "[ . 1 . 2]" 1
366 1 18 VAL MG2 1 27 VAL H . . 4.510 3.447 2.076 3.884 . 0 0 "[ . 1 . 2]" 1
367 1 18 VAL MG2 1 28 PHE QE . . 4.230 2.464 2.031 4.145 . 0 0 "[ . 1 . 2]" 1
368 1 18 VAL MG2 1 101 LEU HA . . 4.970 4.900 4.212 4.990 0.020 14 0 "[ . 1 . 2]" 1
369 1 19 GLN H 1 19 GLN QB . . 3.290 2.900 2.719 3.061 . 0 0 "[ . 1 . 2]" 1
370 1 19 GLN H 1 19 GLN QG . . 3.820 2.548 2.399 2.688 . 0 0 "[ . 1 . 2]" 1
371 1 19 GLN H 1 20 VAL H . . 4.420 4.247 4.112 4.382 . 0 0 "[ . 1 . 2]" 1
372 1 19 GLN H 1 20 VAL MG1 . . 4.090 3.467 3.105 3.768 . 0 0 "[ . 1 . 2]" 1
373 1 19 GLN H 1 101 LEU QD . . 5.170 4.466 4.149 4.845 . 0 0 "[ . 1 . 2]" 1
374 1 19 GLN HA 1 19 GLN QG . . 3.490 3.299 3.277 3.318 . 0 0 "[ . 1 . 2]" 1
375 1 19 GLN HA 1 20 VAL H . . 2.840 2.153 2.139 2.173 . 0 0 "[ . 1 . 2]" 1
376 1 19 GLN HA 1 20 VAL MG1 . . 4.560 3.772 3.591 3.930 . 0 0 "[ . 1 . 2]" 1
377 1 19 GLN HA 1 20 VAL MG2 . . 4.210 3.648 3.572 3.725 . 0 0 "[ . 1 . 2]" 1
378 1 19 GLN HA 1 101 LEU QD . . 4.200 3.147 2.932 3.511 . 0 0 "[ . 1 . 2]" 1
379 1 19 GLN HA 1 102 THR H . . 3.680 2.725 2.449 2.922 . 0 0 "[ . 1 . 2]" 1
380 1 19 GLN HA 1 102 THR HB . . 3.680 2.841 2.069 3.235 . 0 0 "[ . 1 . 2]" 1
381 1 19 GLN HA 1 102 THR MG . . 4.190 3.890 3.088 4.159 . 0 0 "[ . 1 . 2]" 1
382 1 19 GLN HA 1 103 ILE HA . . 4.670 4.240 4.106 4.355 . 0 0 "[ . 1 . 2]" 1
383 1 19 GLN QB 1 19 GLN QE . . 4.070 2.860 1.862 3.564 . 0 0 "[ . 1 . 2]" 1
384 1 19 GLN QB 1 19 GLN QG . . 2.400 2.081 2.067 2.086 . 0 0 "[ . 1 . 2]" 1
385 1 19 GLN QB 1 20 VAL H . . 4.040 3.247 3.124 3.404 . 0 0 "[ . 1 . 2]" 1
386 1 19 GLN QB 1 20 VAL MG1 . . 5.100 4.565 4.419 4.736 . 0 0 "[ . 1 . 2]" 1
387 1 19 GLN QB 1 101 LEU QD . . 5.440 4.425 4.257 4.684 . 0 0 "[ . 1 . 2]" 1
388 1 19 GLN QB 1 102 THR H . . 4.780 3.387 3.025 3.885 . 0 0 "[ . 1 . 2]" 1
389 1 19 GLN QB 1 102 THR HB . . 3.930 1.987 1.866 2.144 . 0 0 "[ . 1 . 2]" 1
390 1 19 GLN QB 1 102 THR MG . . 3.900 2.522 2.225 2.734 . 0 0 "[ . 1 . 2]" 1
391 1 19 GLN QE 1 102 THR MG . . 4.810 3.864 2.878 4.499 . 0 0 "[ . 1 . 2]" 1
392 1 19 GLN QE 1 104 GLN QG . . 5.100 4.052 3.062 5.108 0.008 16 0 "[ . 1 . 2]" 1
393 1 19 GLN QG 1 20 VAL H . . 3.880 3.770 3.643 3.859 . 0 0 "[ . 1 . 2]" 1
394 1 19 GLN QG 1 20 VAL HA . . 4.490 3.564 3.450 3.675 . 0 0 "[ . 1 . 2]" 1
395 1 19 GLN QG 1 20 VAL MG1 . . 4.580 3.904 3.769 4.115 . 0 0 "[ . 1 . 2]" 1
396 1 19 GLN QG 1 20 VAL MG2 . . 5.020 4.984 4.916 5.031 0.011 9 0 "[ . 1 . 2]" 1
397 1 19 GLN QG 1 21 TYR H . . 5.500 5.356 5.205 5.509 0.009 16 0 "[ . 1 . 2]" 1
398 1 19 GLN QG 1 21 TYR QD . . 4.980 4.724 4.463 4.942 . 0 0 "[ . 1 . 2]" 1
399 1 19 GLN QG 1 21 TYR QE . . 4.880 4.668 4.271 4.869 . 0 0 "[ . 1 . 2]" 1
400 1 19 GLN QG 1 102 THR H . . 5.500 5.256 5.011 5.529 0.029 16 0 "[ . 1 . 2]" 1
401 1 19 GLN QG 1 102 THR HB . . 4.140 4.059 3.952 4.146 0.006 10 0 "[ . 1 . 2]" 1
402 1 19 GLN QG 1 102 THR MG . . 4.210 4.079 3.732 4.232 0.022 14 0 "[ . 1 . 2]" 1
403 1 20 VAL H 1 20 VAL MG1 . . 3.750 3.081 2.975 3.169 . 0 0 "[ . 1 . 2]" 1
404 1 20 VAL H 1 20 VAL MG2 . . 3.270 2.233 2.038 2.388 . 0 0 "[ . 1 . 2]" 1
405 1 20 VAL H 1 21 TYR H . . 4.870 4.414 4.349 4.453 . 0 0 "[ . 1 . 2]" 1
406 1 20 VAL H 1 101 LEU QD . . 4.220 3.469 3.054 3.931 . 0 0 "[ . 1 . 2]" 1
407 1 20 VAL H 1 102 THR H . . 4.510 4.321 3.808 4.512 0.002 2 0 "[ . 1 . 2]" 1
408 1 20 VAL H 1 102 THR HB . . 4.670 4.338 3.817 4.634 . 0 0 "[ . 1 . 2]" 1
409 1 20 VAL H 1 103 ILE HA . . 3.800 2.970 2.778 3.142 . 0 0 "[ . 1 . 2]" 1
410 1 20 VAL H 1 104 GLN H . . 4.430 4.194 3.890 4.435 0.005 17 0 "[ . 1 . 2]" 1
411 1 20 VAL HA 1 20 VAL MG1 . . 2.940 2.302 2.204 2.425 . 0 0 "[ . 1 . 2]" 1
412 1 20 VAL HA 1 20 VAL MG2 . . 3.620 3.202 3.198 3.203 . 0 0 "[ . 1 . 2]" 1
413 1 20 VAL HA 1 21 TYR H . . 3.090 2.355 2.290 2.468 . 0 0 "[ . 1 . 2]" 1
414 1 20 VAL HB 1 21 TYR H . . 2.870 2.503 2.246 2.675 . 0 0 "[ . 1 . 2]" 1
415 1 20 VAL HB 1 24 GLU H . . 5.350 4.632 4.522 4.824 . 0 0 "[ . 1 . 2]" 1
416 1 20 VAL HB 1 24 GLU HB2 . . 3.790 2.152 2.001 2.382 . 0 0 "[ . 1 . 2]" 1
417 1 20 VAL HB 1 24 GLU HB3 . . 4.020 2.557 2.235 2.878 . 0 0 "[ . 1 . 2]" 1
418 1 20 VAL HB 1 79 VAL MG2 . . 4.420 3.702 3.483 3.886 . 0 0 "[ . 1 . 2]" 1
419 1 20 VAL MG1 1 21 TYR H . . 3.770 3.717 3.609 3.790 0.020 2 0 "[ . 1 . 2]" 1
420 1 20 VAL MG1 1 24 GLU HB2 . . 3.940 3.632 3.486 3.785 . 0 0 "[ . 1 . 2]" 1
421 1 20 VAL MG1 1 24 GLU HB3 . . 3.920 3.366 3.014 3.723 . 0 0 "[ . 1 . 2]" 1
422 1 20 VAL MG1 1 24 GLU HG2 . . 5.500 5.202 4.986 5.388 . 0 0 "[ . 1 . 2]" 1
423 1 20 VAL MG1 1 24 GLU HG3 . . 4.840 4.156 3.932 4.384 . 0 0 "[ . 1 . 2]" 1
424 1 20 VAL MG1 1 25 ASP H . . 5.230 3.859 3.582 4.129 . 0 0 "[ . 1 . 2]" 1
425 1 20 VAL MG1 1 26 ALA HA . . 3.230 2.642 2.232 2.875 . 0 0 "[ . 1 . 2]" 1
426 1 20 VAL MG1 1 26 ALA MB . . 3.260 3.035 2.432 3.271 0.011 17 0 "[ . 1 . 2]" 1
427 1 20 VAL MG1 1 27 VAL H . . 4.350 4.011 3.731 4.230 . 0 0 "[ . 1 . 2]" 1
428 1 20 VAL MG2 1 21 TYR H . . 3.550 3.478 3.251 3.568 0.018 2 0 "[ . 1 . 2]" 1
429 1 20 VAL MG2 1 22 ASP HA . . 4.630 4.490 4.362 4.631 0.001 15 0 "[ . 1 . 2]" 1
430 1 20 VAL MG2 1 24 GLU H . . 4.480 4.091 3.866 4.375 . 0 0 "[ . 1 . 2]" 1
431 1 20 VAL MG2 1 24 GLU HB2 . . 3.780 2.455 2.020 2.713 . 0 0 "[ . 1 . 2]" 1
432 1 20 VAL MG2 1 24 GLU HB3 . . 3.990 3.396 2.995 3.714 . 0 0 "[ . 1 . 2]" 1
433 1 20 VAL MG2 1 24 GLU HG2 . . 4.930 4.271 3.924 4.538 . 0 0 "[ . 1 . 2]" 1
434 1 20 VAL MG2 1 24 GLU HG3 . . 5.120 4.081 3.773 4.325 . 0 0 "[ . 1 . 2]" 1
435 1 20 VAL MG2 1 25 ASP HA . . 4.830 3.909 3.600 4.095 . 0 0 "[ . 1 . 2]" 1
436 1 20 VAL MG2 1 26 ALA HA . . 4.130 3.039 2.807 3.222 . 0 0 "[ . 1 . 2]" 1
437 1 20 VAL MG2 1 26 ALA MB . . 3.100 2.366 1.814 2.849 . 0 0 "[ . 1 . 2]" 1
438 1 20 VAL MG2 1 79 VAL H . . 4.820 4.241 3.937 4.485 . 0 0 "[ . 1 . 2]" 1
439 1 20 VAL MG2 1 79 VAL HB . . 4.390 3.787 3.614 3.998 . 0 0 "[ . 1 . 2]" 1
440 1 20 VAL MG2 1 79 VAL MG2 . . 2.810 1.829 1.687 2.047 . 0 0 "[ . 1 . 2]" 1
441 1 20 VAL MG2 1 103 ILE HA . . 3.840 3.663 3.374 3.844 0.004 12 0 "[ . 1 . 2]" 1
442 1 21 TYR H 1 21 TYR HB2 . . 3.750 2.266 2.211 2.351 . 0 0 "[ . 1 . 2]" 1
443 1 21 TYR H 1 21 TYR HB3 . . 3.750 3.543 3.510 3.582 . 0 0 "[ . 1 . 2]" 1
444 1 21 TYR H 1 21 TYR QD . . 3.730 2.257 1.910 2.564 . 0 0 "[ . 1 . 2]" 1
445 1 21 TYR H 1 21 TYR QE . . 5.100 4.587 4.273 4.804 . 0 0 "[ . 1 . 2]" 1
446 1 21 TYR H 1 22 ASP H . . 5.300 4.604 4.570 4.621 . 0 0 "[ . 1 . 2]" 1
447 1 21 TYR H 1 24 GLU H . . 5.130 4.693 4.481 4.871 . 0 0 "[ . 1 . 2]" 1
448 1 21 TYR H 1 24 GLU HB2 . . 3.830 3.171 2.898 3.435 . 0 0 "[ . 1 . 2]" 1
449 1 21 TYR H 1 24 GLU HB3 . . 4.670 3.865 3.541 4.232 . 0 0 "[ . 1 . 2]" 1
450 1 21 TYR H 1 24 GLU HG2 . . 4.010 3.192 2.930 3.578 . 0 0 "[ . 1 . 2]" 1
451 1 21 TYR H 1 24 GLU HG3 . . 4.050 2.236 1.893 2.625 . 0 0 "[ . 1 . 2]" 1
452 1 21 TYR HA 1 21 TYR QD . . 4.060 2.926 2.365 3.084 . 0 0 "[ . 1 . 2]" 1
453 1 21 TYR HA 1 22 ASP H . . 3.380 2.382 2.300 2.481 . 0 0 "[ . 1 . 2]" 1
454 1 21 TYR HA 1 103 ILE MG . . 3.940 3.167 2.768 3.520 . 0 0 "[ . 1 . 2]" 1
455 1 21 TYR HA 1 104 GLN H . . 3.610 2.717 2.394 3.129 . 0 0 "[ . 1 . 2]" 1
456 1 21 TYR HA 1 104 GLN QG . . 4.790 4.535 4.098 4.774 . 0 0 "[ . 1 . 2]" 1
457 1 21 TYR QB 1 22 ASP H . . 3.730 2.475 2.239 2.680 . 0 0 "[ . 1 . 2]" 1
458 1 21 TYR QB 1 24 GLU HG2 . . 3.700 2.441 2.241 2.761 . 0 0 "[ . 1 . 2]" 1
459 1 21 TYR QB 1 24 GLU HG3 . . 4.000 2.343 2.123 2.652 . 0 0 "[ . 1 . 2]" 1
460 1 21 TYR HB2 1 22 ASP H . . 4.530 3.840 3.647 3.996 . 0 0 "[ . 1 . 2]" 1
461 1 21 TYR HB3 1 22 ASP H . . 4.530 2.506 2.260 2.723 . 0 0 "[ . 1 . 2]" 1
462 1 21 TYR QD 1 22 ASP H . . 4.540 3.759 3.499 4.093 . 0 0 "[ . 1 . 2]" 1
463 1 21 TYR QD 1 103 ILE MG . . 5.500 5.108 4.828 5.403 . 0 0 "[ . 1 . 2]" 1
464 1 21 TYR QD 1 104 GLN QB . . 3.920 3.533 3.068 3.871 . 0 0 "[ . 1 . 2]" 1
465 1 21 TYR QD 1 104 GLN QG . . 5.500 4.610 4.216 4.856 . 0 0 "[ . 1 . 2]" 1
466 1 21 TYR QD 1 105 GLU HA . . 5.500 5.133 3.857 5.504 0.004 17 0 "[ . 1 . 2]" 1
467 1 21 TYR QD 1 106 SER HA . . 4.310 2.706 2.031 4.166 . 0 0 "[ . 1 . 2]" 1
468 1 21 TYR QD 1 106 SER HB2 . . 4.520 3.423 2.101 4.543 0.023 5 0 "[ . 1 . 2]" 1
469 1 21 TYR QD 1 106 SER HB3 . . 4.520 3.680 2.336 4.505 . 0 0 "[ . 1 . 2]" 1
470 1 21 TYR QE 1 104 GLN HB2 . . 4.910 3.674 3.237 4.037 . 0 0 "[ . 1 . 2]" 1
471 1 21 TYR QE 1 104 GLN QB . . 4.270 3.451 3.125 3.840 . 0 0 "[ . 1 . 2]" 1
472 1 21 TYR QE 1 104 GLN HB3 . . 4.910 4.233 3.710 4.847 . 0 0 "[ . 1 . 2]" 1
473 1 21 TYR QE 1 104 GLN QG . . 4.450 4.107 3.525 4.447 . 0 0 "[ . 1 . 2]" 1
474 1 21 TYR QE 1 106 SER HA . . 4.570 3.540 2.893 4.453 . 0 0 "[ . 1 . 2]" 1
475 1 22 ASP H 1 22 ASP HB2 . . 3.610 3.011 2.505 3.597 . 0 0 "[ . 1 . 2]" 1
476 1 22 ASP H 1 22 ASP HB3 . . 3.610 2.446 2.210 3.565 . 0 0 "[ . 1 . 2]" 1
477 1 22 ASP H 1 23 GLY H . . 4.830 4.628 4.610 4.645 . 0 0 "[ . 1 . 2]" 1
478 1 22 ASP H 1 103 ILE MG . . 3.670 3.166 2.840 3.515 . 0 0 "[ . 1 . 2]" 1
479 1 22 ASP H 1 104 GLN H . . 4.650 4.202 3.729 4.654 0.004 10 0 "[ . 1 . 2]" 1
480 1 22 ASP H 1 105 GLU HA . . 4.670 3.539 2.816 4.134 . 0 0 "[ . 1 . 2]" 1
481 1 22 ASP H 1 106 SER QB . . 5.090 3.627 2.178 4.974 . 0 0 "[ . 1 . 2]" 1
482 1 22 ASP HA 1 23 GLY H . . 2.960 2.233 2.200 2.282 . 0 0 "[ . 1 . 2]" 1
483 1 22 ASP HA 1 23 GLY HA2 . . 4.740 4.471 4.449 4.507 . 0 0 "[ . 1 . 2]" 1
484 1 22 ASP HA 1 23 GLY HA3 . . 4.610 4.466 4.442 4.488 . 0 0 "[ . 1 . 2]" 1
485 1 22 ASP HA 1 24 GLU H . . 4.040 3.521 3.373 3.697 . 0 0 "[ . 1 . 2]" 1
486 1 22 ASP HA 1 24 GLU HG2 . . 4.840 4.663 4.492 4.814 . 0 0 "[ . 1 . 2]" 1
487 1 22 ASP HA 1 79 VAL MG2 . . 3.600 3.128 2.708 3.616 0.016 19 0 "[ . 1 . 2]" 1
488 1 22 ASP HA 1 80 LYS HA . . 4.580 3.712 2.679 4.106 . 0 0 "[ . 1 . 2]" 1
489 1 22 ASP HA 1 81 HIS H . . 4.930 3.972 3.653 4.368 . 0 0 "[ . 1 . 2]" 1
490 1 22 ASP HA 1 103 ILE MG . . 3.140 2.635 2.393 2.785 . 0 0 "[ . 1 . 2]" 1
491 1 22 ASP QB 1 24 GLU H . . 5.340 4.589 4.329 4.718 . 0 0 "[ . 1 . 2]" 1
492 1 22 ASP QB 1 81 HIS H . . 4.530 3.245 2.746 3.742 . 0 0 "[ . 1 . 2]" 1
493 1 22 ASP QB 1 103 ILE MG . . 3.690 3.173 2.864 3.665 . 0 0 "[ . 1 . 2]" 1
494 1 22 ASP QB 1 105 GLU HA . . 3.880 2.883 2.042 3.944 0.064 10 0 "[ . 1 . 2]" 1
495 1 22 ASP QB 1 106 SER H . . 4.280 2.952 2.123 3.731 . 0 0 "[ . 1 . 2]" 1
496 1 22 ASP HB2 1 23 GLY H . . 4.440 3.569 2.890 4.074 . 0 0 "[ . 1 . 2]" 1
497 1 22 ASP HB2 1 103 ILE MG . . 4.510 3.532 2.929 4.542 0.032 10 0 "[ . 1 . 2]" 1
498 1 22 ASP HB2 1 105 GLU HA . . 4.430 3.589 2.652 4.466 0.036 10 0 "[ . 1 . 2]" 1
499 1 22 ASP HB2 1 106 SER H . . 4.870 3.947 2.960 4.816 . 0 0 "[ . 1 . 2]" 1
500 1 22 ASP HB3 1 23 GLY H . . 4.440 4.026 2.872 4.266 . 0 0 "[ . 1 . 2]" 1
501 1 22 ASP HB3 1 103 ILE MG . . 4.510 3.927 3.113 4.398 . 0 0 "[ . 1 . 2]" 1
502 1 22 ASP HB3 1 105 GLU HA . . 4.430 3.241 2.052 4.451 0.021 13 0 "[ . 1 . 2]" 1
503 1 22 ASP HB3 1 106 SER H . . 4.870 3.150 2.175 4.538 . 0 0 "[ . 1 . 2]" 1
504 1 23 GLY H 1 24 GLU H . . 3.300 3.043 2.855 3.234 . 0 0 "[ . 1 . 2]" 1
505 1 23 GLY H 1 24 GLU HG2 . . 5.220 4.934 4.748 5.097 . 0 0 "[ . 1 . 2]" 1
506 1 23 GLY H 1 78 ALA HA . . 4.780 4.074 3.823 4.301 . 0 0 "[ . 1 . 2]" 1
507 1 23 GLY H 1 78 ALA MB . . 5.090 4.905 4.708 5.074 . 0 0 "[ . 1 . 2]" 1
508 1 23 GLY H 1 79 VAL H . . 4.420 3.907 3.713 4.181 . 0 0 "[ . 1 . 2]" 1
509 1 23 GLY H 1 79 VAL MG2 . . 3.830 3.104 2.496 3.540 . 0 0 "[ . 1 . 2]" 1
510 1 23 GLY H 1 80 LYS HA . . 4.010 3.342 2.646 3.571 . 0 0 "[ . 1 . 2]" 1
511 1 23 GLY H 1 80 LYS QB . . 5.340 5.232 3.780 5.373 0.033 14 0 "[ . 1 . 2]" 1
512 1 23 GLY H 1 80 LYS QD . . 5.500 4.559 3.353 5.273 . 0 0 "[ . 1 . 2]" 1
513 1 23 GLY H 1 80 LYS QG . . 5.500 4.842 2.994 5.510 0.010 19 0 "[ . 1 . 2]" 1
514 1 23 GLY H 1 103 ILE MG . . 4.380 4.130 3.691 4.355 . 0 0 "[ . 1 . 2]" 1
515 1 23 GLY HA2 1 78 ALA HA . . 3.840 2.645 2.444 2.840 . 0 0 "[ . 1 . 2]" 1
516 1 23 GLY HA2 1 78 ALA MB . . 3.920 3.490 3.301 3.563 . 0 0 "[ . 1 . 2]" 1
517 1 23 GLY HA2 1 79 VAL H . . 4.470 4.010 3.682 4.166 . 0 0 "[ . 1 . 2]" 1
518 1 23 GLY HA3 1 78 ALA HA . . 4.550 4.034 3.893 4.168 . 0 0 "[ . 1 . 2]" 1
519 1 23 GLY HA3 1 78 ALA MB . . 4.790 4.776 4.610 4.818 0.028 15 0 "[ . 1 . 2]" 1
520 1 24 GLU H 1 24 GLU HB2 . . 3.150 2.557 2.504 2.650 . 0 0 "[ . 1 . 2]" 1
521 1 24 GLU H 1 24 GLU HB3 . . 3.900 3.592 3.589 3.597 . 0 0 "[ . 1 . 2]" 1
522 1 24 GLU H 1 24 GLU HG2 . . 3.810 2.129 1.900 2.241 . 0 0 "[ . 1 . 2]" 1
523 1 24 GLU H 1 24 GLU HG3 . . 3.940 3.616 3.304 3.713 . 0 0 "[ . 1 . 2]" 1
524 1 24 GLU H 1 78 ALA HA . . 5.120 4.566 4.447 4.727 . 0 0 "[ . 1 . 2]" 1
525 1 24 GLU H 1 79 VAL MG2 . . 3.680 3.211 2.848 3.677 . 0 0 "[ . 1 . 2]" 1
526 1 24 GLU H 1 103 ILE MG . . 5.330 4.834 4.610 5.074 . 0 0 "[ . 1 . 2]" 1
527 1 24 GLU HA 1 24 GLU HB3 . . 2.930 2.457 2.433 2.478 . 0 0 "[ . 1 . 2]" 1
528 1 24 GLU HA 1 24 GLU HG2 . . 3.470 3.172 2.936 3.284 . 0 0 "[ . 1 . 2]" 1
529 1 24 GLU HA 1 24 GLU HG3 . . 3.880 3.738 3.686 3.830 . 0 0 "[ . 1 . 2]" 1
530 1 24 GLU HA 1 25 ASP H . . 2.900 2.595 2.483 2.661 . 0 0 "[ . 1 . 2]" 1
531 1 24 GLU HA 1 25 ASP HA . . 4.730 4.434 4.408 4.466 . 0 0 "[ . 1 . 2]" 1
532 1 24 GLU HB2 1 25 ASP H . . 3.510 3.208 3.034 3.406 . 0 0 "[ . 1 . 2]" 1
533 1 24 GLU HB2 1 79 VAL MG2 . . 4.530 2.975 2.820 3.194 . 0 0 "[ . 1 . 2]" 1
534 1 24 GLU HB3 1 25 ASP H . . 3.200 2.067 1.953 2.269 . 0 0 "[ . 1 . 2]" 1
535 1 24 GLU HB3 1 79 VAL MG2 . . 5.240 4.075 3.880 4.337 . 0 0 "[ . 1 . 2]" 1
536 1 24 GLU HG2 1 25 ASP H . . 5.040 4.734 4.685 4.863 . 0 0 "[ . 1 . 2]" 1
537 1 24 GLU HG2 1 79 VAL MG2 . . 5.500 4.412 4.267 4.775 . 0 0 "[ . 1 . 2]" 1
538 1 24 GLU HG2 1 103 ILE MG . . 5.500 5.315 5.128 5.481 . 0 0 "[ . 1 . 2]" 1
539 1 24 GLU HG3 1 25 ASP H . . 4.710 4.448 4.287 4.708 . 0 0 "[ . 1 . 2]" 1
540 1 25 ASP H 1 25 ASP HB2 . . 3.970 3.229 2.724 3.721 . 0 0 "[ . 1 . 2]" 1
541 1 25 ASP H 1 25 ASP QB . . 3.140 2.919 2.666 3.113 . 0 0 "[ . 1 . 2]" 1
542 1 25 ASP H 1 25 ASP HB3 . . 3.970 3.568 3.221 3.834 . 0 0 "[ . 1 . 2]" 1
543 1 25 ASP H 1 26 ALA H . . 4.460 4.350 4.159 4.470 0.010 4 0 "[ . 1 . 2]" 1
544 1 25 ASP H 1 27 VAL QG . . 5.440 5.432 5.350 5.492 0.052 18 0 "[ . 1 . 2]" 1
545 1 25 ASP H 1 79 VAL MG2 . . 5.500 4.178 3.906 4.445 . 0 0 "[ . 1 . 2]" 1
546 1 25 ASP HA 1 26 ALA H . . 2.900 2.165 2.139 2.218 . 0 0 "[ . 1 . 2]" 1
547 1 25 ASP HA 1 26 ALA MB . . 4.070 3.943 3.878 4.028 . 0 0 "[ . 1 . 2]" 1
548 1 25 ASP HA 1 27 VAL QG . . 5.440 5.190 5.057 5.321 . 0 0 "[ . 1 . 2]" 1
549 1 25 ASP HA 1 75 ILE MG . . 4.780 4.423 4.283 4.590 . 0 0 "[ . 1 . 2]" 1
550 1 25 ASP HA 1 77 HIS HA . . 3.590 2.294 1.989 2.534 . 0 0 "[ . 1 . 2]" 1
551 1 25 ASP HA 1 78 ALA H . . 2.600 2.645 2.607 2.697 0.097 6 0 "[ . 1 . 2]" 1
552 1 25 ASP HA 1 78 ALA HA . . 4.940 4.545 4.387 4.705 . 0 0 "[ . 1 . 2]" 1
553 1 25 ASP HA 1 78 ALA MB . . 5.150 5.053 4.996 5.089 . 0 0 "[ . 1 . 2]" 1
554 1 25 ASP HA 1 79 VAL H . . 3.980 3.226 2.999 3.445 . 0 0 "[ . 1 . 2]" 1
555 1 25 ASP HA 1 79 VAL MG1 . . 3.550 2.779 2.439 3.074 . 0 0 "[ . 1 . 2]" 1
556 1 25 ASP HA 1 79 VAL MG2 . . 4.280 3.382 3.040 3.959 . 0 0 "[ . 1 . 2]" 1
557 1 25 ASP QB 1 26 ALA H . . 3.450 3.166 2.893 3.465 0.015 18 0 "[ . 1 . 2]" 1
558 1 25 ASP QB 1 27 VAL QG . . 3.820 3.663 3.474 3.796 . 0 0 "[ . 1 . 2]" 1
559 1 25 ASP QB 1 75 ILE MG . . 3.240 2.840 2.545 3.134 . 0 0 "[ . 1 . 2]" 1
560 1 25 ASP QB 1 77 HIS HA . . 4.180 1.997 1.924 2.205 . 0 0 "[ . 1 . 2]" 1
561 1 25 ASP QB 1 78 ALA H . . 4.440 3.237 2.899 3.682 . 0 0 "[ . 1 . 2]" 1
562 1 25 ASP HB2 1 26 ALA H . . 4.290 3.656 2.996 4.271 . 0 0 "[ . 1 . 2]" 1
563 1 25 ASP HB2 1 75 ILE MG . . 3.850 3.297 2.583 3.862 0.012 14 0 "[ . 1 . 2]" 1
564 1 25 ASP HB2 1 77 HIS HA . . 4.870 3.241 2.504 3.689 . 0 0 "[ . 1 . 2]" 1
565 1 25 ASP HB2 1 78 ALA H . . 5.300 4.501 4.273 4.701 . 0 0 "[ . 1 . 2]" 1
566 1 25 ASP HB3 1 26 ALA H . . 4.290 3.666 3.051 4.117 . 0 0 "[ . 1 . 2]" 1
567 1 25 ASP HB3 1 75 ILE MG . . 3.850 3.457 2.821 3.877 0.027 12 0 "[ . 1 . 2]" 1
568 1 25 ASP HB3 1 77 HIS HA . . 4.870 2.021 1.990 2.222 . 0 0 "[ . 1 . 2]" 1
569 1 25 ASP HB3 1 78 ALA H . . 5.300 3.329 2.945 3.878 . 0 0 "[ . 1 . 2]" 1
570 1 26 ALA H 1 26 ALA MB . . 3.230 2.282 2.173 2.370 . 0 0 "[ . 1 . 2]" 1
571 1 26 ALA H 1 27 VAL H . . 4.840 4.507 4.345 4.567 . 0 0 "[ . 1 . 2]" 1
572 1 26 ALA H 1 27 VAL QG . . 4.880 4.400 4.221 4.622 . 0 0 "[ . 1 . 2]" 1
573 1 26 ALA H 1 75 ILE MG . . 4.810 3.951 3.592 4.528 . 0 0 "[ . 1 . 2]" 1
574 1 26 ALA H 1 76 LEU HB2 . . 3.940 3.015 2.674 3.311 . 0 0 "[ . 1 . 2]" 1
575 1 26 ALA H 1 76 LEU HB3 . . 5.160 4.307 3.884 4.563 . 0 0 "[ . 1 . 2]" 1
576 1 26 ALA H 1 79 VAL H . . 4.650 4.242 3.808 4.613 . 0 0 "[ . 1 . 2]" 1
577 1 26 ALA H 1 79 VAL MG1 . . 3.630 2.200 1.804 2.622 . 0 0 "[ . 1 . 2]" 1
578 1 26 ALA H 1 79 VAL MG2 . . 4.100 3.455 2.782 3.894 . 0 0 "[ . 1 . 2]" 1
579 1 26 ALA HA 1 27 VAL H . . 2.750 2.238 2.142 2.358 . 0 0 "[ . 1 . 2]" 1
580 1 26 ALA HA 1 79 VAL MG1 . . 4.720 3.985 3.540 4.339 . 0 0 "[ . 1 . 2]" 1
581 1 26 ALA HA 1 101 LEU QD . . 5.240 3.935 3.646 4.455 . 0 0 "[ . 1 . 2]" 1
582 1 26 ALA MB 1 27 VAL H . . 3.560 2.871 2.465 3.257 . 0 0 "[ . 1 . 2]" 1
583 1 26 ALA MB 1 28 PHE QE . . 3.290 2.659 1.960 3.260 . 0 0 "[ . 1 . 2]" 1
584 1 26 ALA MB 1 76 LEU H . . 4.060 3.311 2.638 4.008 . 0 0 "[ . 1 . 2]" 1
585 1 26 ALA MB 1 76 LEU HB2 . . 3.310 2.577 2.111 3.164 . 0 0 "[ . 1 . 2]" 1
586 1 26 ALA MB 1 79 VAL HB . . 5.160 3.897 3.363 4.201 . 0 0 "[ . 1 . 2]" 1
587 1 26 ALA MB 1 79 VAL MG1 . . 2.600 2.024 1.748 2.296 . 0 0 "[ . 1 . 2]" 1
588 1 26 ALA MB 1 79 VAL MG2 . . 3.210 2.941 2.314 3.194 . 0 0 "[ . 1 . 2]" 1
589 1 26 ALA MB 1 101 LEU QD . . 2.970 2.016 1.850 2.369 . 0 0 "[ . 1 . 2]" 1
590 1 27 VAL H 1 27 VAL HB . . 3.590 3.055 2.658 3.544 . 0 0 "[ . 1 . 2]" 1
591 1 27 VAL H 1 27 VAL MG1 . . 3.930 3.155 2.005 3.925 . 0 0 "[ . 1 . 2]" 1
592 1 27 VAL H 1 27 VAL QG . . 3.100 2.457 1.995 2.829 . 0 0 "[ . 1 . 2]" 1
593 1 27 VAL H 1 27 VAL MG2 . . 3.930 3.152 2.719 3.708 . 0 0 "[ . 1 . 2]" 1
594 1 27 VAL H 1 28 PHE H . . 4.750 4.371 4.249 4.454 . 0 0 "[ . 1 . 2]" 1
595 1 27 VAL HA 1 27 VAL MG1 . . 3.280 2.662 2.286 3.148 . 0 0 "[ . 1 . 2]" 1
596 1 27 VAL HA 1 27 VAL MG2 . . 3.280 2.501 2.414 2.639 . 0 0 "[ . 1 . 2]" 1
597 1 27 VAL HA 1 28 PHE H . . 3.140 2.202 2.151 2.300 . 0 0 "[ . 1 . 2]" 1
598 1 27 VAL HA 1 75 ILE HG12 . . 5.000 4.227 3.486 4.960 . 0 0 "[ . 1 . 2]" 1
599 1 27 VAL HA 1 75 ILE HG13 . . 4.550 2.959 2.096 3.565 . 0 0 "[ . 1 . 2]" 1
600 1 27 VAL HA 1 76 LEU H . . 3.910 3.372 2.883 3.866 . 0 0 "[ . 1 . 2]" 1
601 1 27 VAL HB 1 28 PHE H . . 5.120 3.915 3.603 4.150 . 0 0 "[ . 1 . 2]" 1
602 1 27 VAL HB 1 75 ILE MG . . 5.250 3.502 1.909 4.782 . 0 0 "[ . 1 . 2]" 1
603 1 27 VAL QG 1 28 PHE H . . 3.300 2.136 1.901 2.375 . 0 0 "[ . 1 . 2]" 1
604 1 27 VAL QG 1 28 PHE QD . . 4.770 4.351 4.052 4.629 . 0 0 "[ . 1 . 2]" 1
605 1 27 VAL QG 1 29 SER H . . 4.540 4.367 3.676 4.562 0.022 17 0 "[ . 1 . 2]" 1
606 1 27 VAL QG 1 29 SER HA . . 5.330 4.819 4.339 5.263 . 0 0 "[ . 1 . 2]" 1
607 1 27 VAL QG 1 29 SER QB . . 3.810 3.607 3.411 3.832 0.022 12 0 "[ . 1 . 2]" 1
608 1 27 VAL QG 1 73 ARG QB . . 4.600 4.251 3.722 4.611 0.011 19 0 "[ . 1 . 2]" 1
609 1 27 VAL QG 1 73 ARG QD . . 3.360 2.941 2.156 3.413 0.053 6 0 "[ . 1 . 2]" 1
610 1 27 VAL QG 1 73 ARG HE . . 5.340 3.142 1.750 4.820 . 0 0 "[ . 1 . 2]" 1
611 1 27 VAL QG 1 74 LEU H . . 4.300 3.809 3.069 4.312 0.012 3 0 "[ . 1 . 2]" 1
612 1 27 VAL QG 1 75 ILE MG . . 2.870 2.269 1.886 2.748 . 0 0 "[ . 1 . 2]" 1
613 1 27 VAL QG 1 76 LEU H . . 4.340 4.008 3.771 4.321 . 0 0 "[ . 1 . 2]" 1
614 1 27 VAL MG1 1 28 PHE H . . 4.180 2.954 2.032 4.202 0.022 13 0 "[ . 1 . 2]" 1
615 1 27 VAL MG1 1 75 ILE HG12 . . 3.630 3.234 2.509 3.640 0.010 20 0 "[ . 1 . 2]" 1
616 1 27 VAL MG1 1 75 ILE HG13 . . 3.590 2.894 1.958 3.604 0.014 14 0 "[ . 1 . 2]" 1
617 1 27 VAL MG1 1 75 ILE MG . . 3.610 3.172 2.531 3.622 0.012 4 0 "[ . 1 . 2]" 1
618 1 27 VAL MG2 1 28 PHE H . . 4.180 3.229 1.904 4.066 . 0 0 "[ . 1 . 2]" 1
619 1 27 VAL MG2 1 75 ILE HG12 . . 3.630 2.711 2.152 3.197 . 0 0 "[ . 1 . 2]" 1
620 1 27 VAL MG2 1 75 ILE HG13 . . 3.590 2.505 1.878 3.530 . 0 0 "[ . 1 . 2]" 1
621 1 27 VAL MG2 1 75 ILE MG . . 3.610 2.533 1.895 3.382 . 0 0 "[ . 1 . 2]" 1
622 1 28 PHE H 1 28 PHE HB2 . . 3.710 2.684 2.431 2.867 . 0 0 "[ . 1 . 2]" 1
623 1 28 PHE H 1 28 PHE HB3 . . 4.130 3.797 3.645 3.907 . 0 0 "[ . 1 . 2]" 1
624 1 28 PHE H 1 28 PHE QD . . 3.800 3.241 2.795 3.812 0.012 17 0 "[ . 1 . 2]" 1
625 1 28 PHE H 1 29 SER H . . 4.910 4.367 3.995 4.492 . 0 0 "[ . 1 . 2]" 1
626 1 28 PHE H 1 74 LEU H . . 3.820 2.946 2.709 3.161 . 0 0 "[ . 1 . 2]" 1
627 1 28 PHE H 1 74 LEU HB3 . . 5.180 4.058 3.545 4.560 . 0 0 "[ . 1 . 2]" 1
628 1 28 PHE H 1 75 ILE MD . . 4.880 4.287 3.405 4.733 . 0 0 "[ . 1 . 2]" 1
629 1 28 PHE HB2 1 29 SER H . . 4.470 3.904 3.568 4.420 . 0 0 "[ . 1 . 2]" 1
630 1 28 PHE HB2 1 40 TRP HE3 . . 5.500 5.336 5.054 5.514 0.014 13 0 "[ . 1 . 2]" 1
631 1 28 PHE HB2 1 40 TRP HH2 . . 4.800 3.635 3.189 4.405 . 0 0 "[ . 1 . 2]" 1
632 1 28 PHE HB2 1 40 TRP HZ3 . . 4.700 3.684 3.287 4.093 . 0 0 "[ . 1 . 2]" 1
633 1 28 PHE HB2 1 74 LEU H . . 4.230 3.192 2.973 3.618 . 0 0 "[ . 1 . 2]" 1
634 1 28 PHE HB2 1 74 LEU HB2 . . 5.000 4.597 4.262 4.790 . 0 0 "[ . 1 . 2]" 1
635 1 28 PHE HB2 1 74 LEU HB3 . . 4.240 2.894 2.558 3.062 . 0 0 "[ . 1 . 2]" 1
636 1 28 PHE HB2 1 74 LEU QD . . 4.170 3.555 2.288 4.013 . 0 0 "[ . 1 . 2]" 1
637 1 28 PHE HB2 1 88 VAL MG1 . . 4.450 3.097 2.490 3.571 . 0 0 "[ . 1 . 2]" 1
638 1 28 PHE HB3 1 29 SER H . . 3.900 2.748 2.221 3.630 . 0 0 "[ . 1 . 2]" 1
639 1 28 PHE HB3 1 40 TRP HH2 . . 4.980 3.344 2.777 3.762 . 0 0 "[ . 1 . 2]" 1
640 1 28 PHE HB3 1 40 TRP HZ3 . . 4.620 3.555 2.810 3.950 . 0 0 "[ . 1 . 2]" 1
641 1 28 PHE HB3 1 74 LEU H . . 4.790 4.259 3.767 4.636 . 0 0 "[ . 1 . 2]" 1
642 1 28 PHE HB3 1 74 LEU HB3 . . 4.610 4.282 3.647 4.617 0.007 20 0 "[ . 1 . 2]" 1
643 1 28 PHE HB3 1 88 VAL MG1 . . 4.300 3.448 2.795 4.284 . 0 0 "[ . 1 . 2]" 1
644 1 28 PHE QD 1 29 SER H . . 4.330 3.620 3.184 4.041 . 0 0 "[ . 1 . 2]" 1
645 1 28 PHE QD 1 74 LEU H . . 5.310 4.710 4.510 5.143 . 0 0 "[ . 1 . 2]" 1
646 1 28 PHE QD 1 74 LEU HB2 . . 5.500 5.491 5.368 5.538 0.038 17 0 "[ . 1 . 2]" 1
647 1 28 PHE QD 1 74 LEU HB3 . . 5.180 3.893 3.742 4.064 . 0 0 "[ . 1 . 2]" 1
648 1 28 PHE QD 1 74 LEU QD . . 4.340 3.421 2.121 3.825 . 0 0 "[ . 1 . 2]" 1
649 1 28 PHE QD 1 88 VAL MG1 . . 4.230 2.930 2.187 3.344 . 0 0 "[ . 1 . 2]" 1
650 1 28 PHE QD 1 99 ALA MB . . 4.440 3.194 2.840 3.492 . 0 0 "[ . 1 . 2]" 1
651 1 28 PHE QD 1 101 LEU QD . . 4.860 3.935 3.398 4.312 . 0 0 "[ . 1 . 2]" 1
652 1 28 PHE QE 1 88 VAL HB . . 4.710 3.698 3.304 4.136 . 0 0 "[ . 1 . 2]" 1
653 1 28 PHE QE 1 88 VAL MG2 . . 3.810 2.632 2.063 3.154 . 0 0 "[ . 1 . 2]" 1
654 1 28 PHE QE 1 99 ALA MB . . 3.220 2.722 2.101 3.228 0.008 19 0 "[ . 1 . 2]" 1
655 1 28 PHE QE 1 100 ALA H . . 4.700 4.277 3.675 4.639 . 0 0 "[ . 1 . 2]" 1
656 1 28 PHE QE 1 101 LEU HA . . 4.370 3.849 3.554 4.172 . 0 0 "[ . 1 . 2]" 1
657 1 28 PHE QE 1 101 LEU MD1 . . 3.470 2.328 2.034 2.856 . 0 0 "[ . 1 . 2]" 1
658 1 28 PHE QE 1 101 LEU QD . . 3.030 2.227 1.892 2.656 . 0 0 "[ . 1 . 2]" 1
659 1 28 PHE QE 1 101 LEU MD2 . . 3.470 3.008 2.249 3.479 0.009 16 0 "[ . 1 . 2]" 1
660 1 28 PHE QE 1 102 THR H . . 5.500 5.373 5.005 5.535 0.035 17 0 "[ . 1 . 2]" 1
661 1 28 PHE HZ 1 88 VAL MG2 . . 4.260 3.323 2.784 4.109 . 0 0 "[ . 1 . 2]" 1
662 1 28 PHE HZ 1 101 LEU H . . 4.820 4.463 3.778 4.840 0.020 15 0 "[ . 1 . 2]" 1
663 1 28 PHE HZ 1 101 LEU HA . . 3.830 2.745 2.443 3.143 . 0 0 "[ . 1 . 2]" 1
664 1 28 PHE HZ 1 101 LEU HB2 . . 4.540 2.323 1.991 4.136 . 0 0 "[ . 1 . 2]" 1
665 1 28 PHE HZ 1 101 LEU QB . . 3.990 2.292 1.984 3.838 . 0 0 "[ . 1 . 2]" 1
666 1 28 PHE HZ 1 101 LEU HB3 . . 4.540 3.922 3.715 4.547 0.007 17 0 "[ . 1 . 2]" 1
667 1 28 PHE HZ 1 101 LEU QD . . 3.380 2.224 1.832 3.048 . 0 0 "[ . 1 . 2]" 1
668 1 28 PHE HZ 1 101 LEU HG . . 5.100 4.025 1.996 4.833 . 0 0 "[ . 1 . 2]" 1
669 1 29 SER H 1 29 SER HB2 . . 3.980 3.863 3.478 4.017 0.037 19 0 "[ . 1 . 2]" 1
670 1 29 SER H 1 29 SER QB . . 3.440 3.081 2.571 3.321 . 0 0 "[ . 1 . 2]" 1
671 1 29 SER H 1 29 SER HB3 . . 3.980 3.246 2.643 3.600 . 0 0 "[ . 1 . 2]" 1
672 1 29 SER H 1 30 LEU H . . 4.400 4.346 4.258 4.444 0.044 6 0 "[ . 1 . 2]" 1
673 1 29 SER H 1 40 TRP HH2 . . 4.470 4.333 3.919 4.477 0.007 9 0 "[ . 1 . 2]" 1
674 1 29 SER HA 1 30 LEU H . . 2.720 2.324 2.224 2.454 . 0 0 "[ . 1 . 2]" 1
675 1 29 SER HA 1 30 LEU QD . . 4.800 4.093 3.947 4.216 . 0 0 "[ . 1 . 2]" 1
676 1 29 SER HA 1 40 TRP HH2 . . 4.210 3.508 2.698 4.219 0.009 2 0 "[ . 1 . 2]" 1
677 1 29 SER HA 1 40 TRP HZ2 . . 4.770 4.030 3.263 4.745 . 0 0 "[ . 1 . 2]" 1
678 1 29 SER HA 1 72 HIS H . . 5.100 4.874 4.607 5.116 0.016 14 0 "[ . 1 . 2]" 1
679 1 29 SER HA 1 73 ARG HG2 . . 5.030 4.478 3.756 5.069 0.039 6 0 "[ . 1 . 2]" 1
680 1 29 SER HA 1 73 ARG HG3 . . 4.080 3.193 2.452 4.019 . 0 0 "[ . 1 . 2]" 1
681 1 29 SER HA 1 74 LEU H . . 4.170 3.767 3.385 4.177 0.007 2 0 "[ . 1 . 2]" 1
682 1 29 SER QB 1 73 ARG HA . . 4.730 3.191 2.011 4.214 . 0 0 "[ . 1 . 2]" 1
683 1 29 SER QB 1 73 ARG QD . . 4.000 3.330 2.568 3.847 . 0 0 "[ . 1 . 2]" 1
684 1 29 SER QB 1 73 ARG HG2 . . 4.280 3.735 3.245 4.286 0.006 20 0 "[ . 1 . 2]" 1
685 1 29 SER HB2 1 30 LEU H . . 4.090 2.935 2.404 3.919 . 0 0 "[ . 1 . 2]" 1
686 1 29 SER HB2 1 73 ARG QD . . 4.610 4.043 3.007 4.623 0.013 19 0 "[ . 1 . 2]" 1
687 1 29 SER HB2 1 73 ARG HG3 . . 4.100 3.125 1.988 3.879 . 0 0 "[ . 1 . 2]" 1
688 1 29 SER HB3 1 30 LEU H . . 4.090 3.914 3.594 4.127 0.037 18 0 "[ . 1 . 2]" 1
689 1 29 SER HB3 1 73 ARG QD . . 4.610 3.806 2.633 4.634 0.024 9 0 "[ . 1 . 2]" 1
690 1 29 SER HB3 1 73 ARG HG3 . . 4.100 2.640 1.970 3.784 . 0 0 "[ . 1 . 2]" 1
691 1 30 LEU H 1 30 LEU QB . . 3.460 3.153 3.060 3.228 . 0 0 "[ . 1 . 2]" 1
692 1 30 LEU H 1 30 LEU MD1 . . 3.820 3.671 3.336 3.821 0.001 18 0 "[ . 1 . 2]" 1
693 1 30 LEU H 1 30 LEU QD . . 3.350 3.311 3.095 3.394 0.044 18 0 "[ . 1 . 2]" 1
694 1 30 LEU H 1 30 LEU MD2 . . 3.820 3.770 3.585 3.840 0.020 9 0 "[ . 1 . 2]" 1
695 1 30 LEU H 1 30 LEU HG . . 4.170 2.494 2.152 2.655 . 0 0 "[ . 1 . 2]" 1
696 1 30 LEU H 1 40 TRP HH2 . . 4.820 4.531 3.829 4.832 0.012 13 0 "[ . 1 . 2]" 1
697 1 30 LEU H 1 40 TRP HZ2 . . 4.930 4.666 4.206 4.940 0.010 18 0 "[ . 1 . 2]" 1
698 1 30 LEU HA 1 30 LEU MD1 . . 4.480 3.621 3.546 3.689 . 0 0 "[ . 1 . 2]" 1
699 1 30 LEU HA 1 30 LEU QD . . 3.820 3.383 3.330 3.411 . 0 0 "[ . 1 . 2]" 1
700 1 30 LEU HA 1 30 LEU MD2 . . 4.480 4.061 3.993 4.097 . 0 0 "[ . 1 . 2]" 1
701 1 30 LEU HA 1 31 ASP H . . 3.190 2.380 2.199 2.524 . 0 0 "[ . 1 . 2]" 1
702 1 30 LEU QB 1 30 LEU QD . . 2.770 1.826 1.737 1.884 . 0 0 "[ . 1 . 2]" 1
703 1 30 LEU QB 1 31 ASP H . . 3.440 2.505 2.159 2.962 . 0 0 "[ . 1 . 2]" 1
704 1 30 LEU QB 1 32 LEU MD2 . . 4.420 3.606 3.171 4.004 . 0 0 "[ . 1 . 2]" 1
705 1 30 LEU QB 1 97 ASP QB . . 5.180 4.820 4.189 5.189 0.009 15 0 "[ . 1 . 2]" 1
706 1 30 LEU HB2 1 31 ASP H . . 4.220 2.541 2.175 3.031 . 0 0 "[ . 1 . 2]" 1
707 1 30 LEU HB3 1 31 ASP H . . 4.220 3.862 3.551 4.169 . 0 0 "[ . 1 . 2]" 1
708 1 30 LEU QD 1 31 ASP H . . 4.110 2.909 2.333 3.356 . 0 0 "[ . 1 . 2]" 1
709 1 30 LEU QD 1 31 ASP HA . . 4.370 3.114 2.662 3.301 . 0 0 "[ . 1 . 2]" 1
710 1 30 LEU QD 1 32 LEU H . . 4.640 3.889 3.583 4.161 . 0 0 "[ . 1 . 2]" 1
711 1 30 LEU QD 1 32 LEU HA . . 4.600 3.980 3.794 4.206 . 0 0 "[ . 1 . 2]" 1
712 1 30 LEU QD 1 32 LEU HB2 . . 4.440 4.248 3.991 4.448 0.008 10 0 "[ . 1 . 2]" 1
713 1 30 LEU QD 1 32 LEU HB3 . . 4.960 4.395 4.179 4.587 . 0 0 "[ . 1 . 2]" 1
714 1 30 LEU QD 1 32 LEU MD1 . . 3.340 2.730 2.438 2.945 . 0 0 "[ . 1 . 2]" 1
715 1 30 LEU QD 1 32 LEU MD2 . . 2.910 1.844 1.764 1.928 . 0 0 "[ . 1 . 2]" 1
716 1 30 LEU QD 1 32 LEU HG . . 3.100 2.257 2.005 2.545 . 0 0 "[ . 1 . 2]" 1
717 1 30 LEU QD 1 40 TRP HH2 . . 3.470 2.632 1.976 3.413 . 0 0 "[ . 1 . 2]" 1
718 1 30 LEU QD 1 40 TRP HZ2 . . 4.480 3.211 2.657 4.068 . 0 0 "[ . 1 . 2]" 1
719 1 30 LEU QD 1 40 TRP HZ3 . . 4.970 3.778 3.446 4.440 . 0 0 "[ . 1 . 2]" 1
720 1 30 LEU QD 1 72 HIS H . . 3.910 3.039 2.817 3.287 . 0 0 "[ . 1 . 2]" 1
721 1 30 LEU QD 1 72 HIS HB2 . . 3.360 2.488 2.163 2.900 . 0 0 "[ . 1 . 2]" 1
722 1 30 LEU QD 1 72 HIS HB3 . . 4.230 3.468 3.059 4.001 . 0 0 "[ . 1 . 2]" 1
723 1 30 LEU QD 1 72 HIS HD2 . . 3.630 2.654 1.978 3.007 . 0 0 "[ . 1 . 2]" 1
724 1 30 LEU QD 1 88 VAL MG1 . . 5.440 4.992 4.496 5.440 0.000 6 0 "[ . 1 . 2]" 1
725 1 30 LEU QD 1 90 PHE HA . . 5.280 4.256 4.009 4.511 . 0 0 "[ . 1 . 2]" 1
726 1 30 LEU QD 1 90 PHE QB . . 3.710 2.012 1.807 2.271 . 0 0 "[ . 1 . 2]" 1
727 1 30 LEU QD 1 90 PHE HZ . . 4.600 4.282 3.692 4.605 0.005 11 0 "[ . 1 . 2]" 1
728 1 30 LEU QD 1 95 VAL MG1 . . 4.380 3.711 3.082 3.994 . 0 0 "[ . 1 . 2]" 1
729 1 30 LEU QD 1 97 ASP QB . . 4.320 3.979 3.323 4.327 0.007 14 0 "[ . 1 . 2]" 1
730 1 30 LEU MD1 1 32 LEU MD1 . . 4.750 2.764 2.468 2.980 . 0 0 "[ . 1 . 2]" 1
731 1 30 LEU MD1 1 32 LEU MD2 . . 3.980 1.851 1.771 1.934 . 0 0 "[ . 1 . 2]" 1
732 1 30 LEU MD1 1 72 HIS H . . 4.950 3.097 2.866 3.369 . 0 0 "[ . 1 . 2]" 1
733 1 30 LEU MD1 1 72 HIS HB2 . . 4.200 2.826 2.356 3.387 . 0 0 "[ . 1 . 2]" 1
734 1 30 LEU MD1 1 72 HIS HB3 . . 4.850 4.216 3.737 4.774 . 0 0 "[ . 1 . 2]" 1
735 1 30 LEU MD1 1 90 PHE HZ . . 5.500 4.634 4.044 5.128 . 0 0 "[ . 1 . 2]" 1
736 1 30 LEU MD1 1 95 VAL MG1 . . 5.220 3.995 3.333 4.239 . 0 0 "[ . 1 . 2]" 1
737 1 30 LEU MD2 1 32 LEU MD1 . . 4.750 4.244 3.791 4.588 . 0 0 "[ . 1 . 2]" 1
738 1 30 LEU MD2 1 32 LEU MD2 . . 3.980 3.546 3.263 3.792 . 0 0 "[ . 1 . 2]" 1
739 1 30 LEU MD2 1 72 HIS H . . 4.950 4.437 4.057 4.841 . 0 0 "[ . 1 . 2]" 1
740 1 30 LEU MD2 1 72 HIS HB2 . . 4.200 2.803 2.371 3.295 . 0 0 "[ . 1 . 2]" 1
741 1 30 LEU MD2 1 72 HIS HB3 . . 4.850 3.708 3.219 4.356 . 0 0 "[ . 1 . 2]" 1
742 1 30 LEU MD2 1 90 PHE HZ . . 5.500 5.060 4.265 5.438 . 0 0 "[ . 1 . 2]" 1
743 1 30 LEU MD2 1 95 VAL MG1 . . 5.220 4.444 3.629 4.995 . 0 0 "[ . 1 . 2]" 1
744 1 30 LEU HG 1 32 LEU MD2 . . 4.340 4.294 4.137 4.363 0.023 16 0 "[ . 1 . 2]" 1
745 1 30 LEU HG 1 40 TRP HZ2 . . 5.500 3.905 3.487 4.673 . 0 0 "[ . 1 . 2]" 1
746 1 30 LEU HG 1 72 HIS H . . 4.990 3.078 2.732 3.552 . 0 0 "[ . 1 . 2]" 1
747 1 30 LEU HG 1 72 HIS HB2 . . 4.300 2.240 1.998 2.688 . 0 0 "[ . 1 . 2]" 1
748 1 30 LEU HG 1 72 HIS HB3 . . 5.340 3.853 3.515 4.353 . 0 0 "[ . 1 . 2]" 1
749 1 31 ASP H 1 31 ASP HB2 . . 3.710 2.618 2.460 2.843 . 0 0 "[ . 1 . 2]" 1
750 1 31 ASP H 1 31 ASP HB3 . . 4.180 3.755 3.668 3.885 . 0 0 "[ . 1 . 2]" 1
751 1 31 ASP H 1 32 LEU MD2 . . 4.460 3.998 3.522 4.321 . 0 0 "[ . 1 . 2]" 1
752 1 31 ASP HA 1 32 LEU H . . 2.750 2.294 2.211 2.359 . 0 0 "[ . 1 . 2]" 1
753 1 31 ASP HA 1 32 LEU HB2 . . 4.850 4.615 4.512 4.743 . 0 0 "[ . 1 . 2]" 1
754 1 31 ASP HA 1 32 LEU HG . . 4.280 3.492 3.323 3.647 . 0 0 "[ . 1 . 2]" 1
755 1 31 ASP HA 1 71 GLN HA . . 3.310 3.065 2.716 3.322 0.012 17 0 "[ . 1 . 2]" 1
756 1 31 ASP HA 1 71 GLN QG . . 4.710 3.893 3.325 4.549 . 0 0 "[ . 1 . 2]" 1
757 1 31 ASP HA 1 72 HIS H . . 4.480 3.960 3.688 4.337 . 0 0 "[ . 1 . 2]" 1
758 1 31 ASP HB3 1 32 LEU H . . 3.550 2.726 2.537 2.995 . 0 0 "[ . 1 . 2]" 1
759 1 32 LEU H 1 32 LEU HB2 . . 3.410 2.765 2.675 2.804 . 0 0 "[ . 1 . 2]" 1
760 1 32 LEU H 1 32 LEU MD1 . . 4.990 4.114 3.875 4.277 . 0 0 "[ . 1 . 2]" 1
761 1 32 LEU H 1 32 LEU MD2 . . 3.920 3.721 3.543 3.840 . 0 0 "[ . 1 . 2]" 1
762 1 32 LEU H 1 32 LEU HG . . 3.840 2.935 2.690 3.141 . 0 0 "[ . 1 . 2]" 1
763 1 32 LEU H 1 33 SER H . . 4.860 4.432 4.400 4.485 . 0 0 "[ . 1 . 2]" 1
764 1 32 LEU H 1 34 THR H . . 5.300 5.086 4.598 5.220 . 0 0 "[ . 1 . 2]" 1
765 1 32 LEU H 1 70 LEU HA . . 4.630 3.850 3.433 4.271 . 0 0 "[ . 1 . 2]" 1
766 1 32 LEU H 1 70 LEU HB2 . . 4.230 2.149 1.901 2.671 . 0 0 "[ . 1 . 2]" 1
767 1 32 LEU H 1 70 LEU QB . . 3.610 2.135 1.892 2.641 . 0 0 "[ . 1 . 2]" 1
768 1 32 LEU H 1 70 LEU HB3 . . 4.230 3.668 3.388 4.156 . 0 0 "[ . 1 . 2]" 1
769 1 32 LEU H 1 70 LEU MD2 . . 5.340 4.876 4.642 5.319 . 0 0 "[ . 1 . 2]" 1
770 1 32 LEU H 1 71 GLN HA . . 4.190 4.118 3.809 4.244 0.054 16 0 "[ . 1 . 2]" 1
771 1 32 LEU HA 1 32 LEU MD2 . . 3.050 2.180 1.968 2.419 . 0 0 "[ . 1 . 2]" 1
772 1 32 LEU HA 1 33 SER H . . 3.090 2.473 2.302 2.627 . 0 0 "[ . 1 . 2]" 1
773 1 32 LEU HA 1 33 SER HA . . 4.780 4.329 4.307 4.368 . 0 0 "[ . 1 . 2]" 1
774 1 32 LEU HA 1 34 THR H . . 4.490 4.251 3.955 4.498 0.008 7 0 "[ . 1 . 2]" 1
775 1 32 LEU HB2 1 32 LEU MD1 . . 3.530 2.313 2.178 2.460 . 0 0 "[ . 1 . 2]" 1
776 1 32 LEU HB2 1 32 LEU MD2 . . 3.650 3.179 3.167 3.192 . 0 0 "[ . 1 . 2]" 1
777 1 32 LEU HB2 1 33 SER H . . 3.920 3.358 2.943 3.764 . 0 0 "[ . 1 . 2]" 1
778 1 32 LEU HB2 1 34 THR H . . 3.450 3.131 2.754 3.301 . 0 0 "[ . 1 . 2]" 1
779 1 32 LEU HB2 1 72 HIS HD2 . . 5.020 4.447 4.010 4.780 . 0 0 "[ . 1 . 2]" 1
780 1 32 LEU HB3 1 32 LEU MD1 . . 3.440 2.333 2.221 2.436 . 0 0 "[ . 1 . 2]" 1
781 1 32 LEU HB3 1 32 LEU MD2 . . 3.200 2.285 2.151 2.387 . 0 0 "[ . 1 . 2]" 1
782 1 32 LEU HB3 1 33 SER H . . 3.250 2.327 2.071 2.668 . 0 0 "[ . 1 . 2]" 1
783 1 32 LEU HB3 1 33 SER HA . . 5.500 4.770 4.598 4.916 . 0 0 "[ . 1 . 2]" 1
784 1 32 LEU HB3 1 34 THR H . . 3.050 2.775 2.560 2.988 . 0 0 "[ . 1 . 2]" 1
785 1 32 LEU MD1 1 33 SER H . . 5.070 4.307 3.968 4.621 . 0 0 "[ . 1 . 2]" 1
786 1 32 LEU MD1 1 34 THR H . . 4.070 4.014 3.832 4.117 0.047 15 0 "[ . 1 . 2]" 1
787 1 32 LEU MD1 1 38 GLY H . . 5.230 5.106 4.787 5.321 0.091 15 0 "[ . 1 . 2]" 1
788 1 32 LEU MD1 1 72 HIS H . . 4.960 4.434 4.108 4.822 . 0 0 "[ . 1 . 2]" 1
789 1 32 LEU MD1 1 72 HIS HD2 . . 3.640 2.254 1.843 2.762 . 0 0 "[ . 1 . 2]" 1
790 1 32 LEU MD1 1 72 HIS HE1 . . 5.110 3.948 3.607 4.365 . 0 0 "[ . 1 . 2]" 1
791 1 32 LEU MD1 1 72 HIS HE2 . . 4.310 2.011 1.755 2.359 . 0 0 "[ . 1 . 2]" 1
792 1 32 LEU MD1 1 90 PHE HE2 . . 5.420 2.820 2.254 4.836 . 0 0 "[ . 1 . 2]" 1
793 1 32 LEU MD1 1 90 PHE HZ . . 3.770 3.144 2.510 3.774 0.004 3 0 "[ . 1 . 2]" 1
794 1 32 LEU MD1 1 92 CYS HB3 . . 5.330 4.360 4.123 4.687 . 0 0 "[ . 1 . 2]" 1
795 1 32 LEU MD2 1 33 SER H . . 3.940 3.479 3.321 3.641 . 0 0 "[ . 1 . 2]" 1
796 1 32 LEU MD2 1 34 THR H . . 4.730 4.621 4.426 4.759 0.029 7 0 "[ . 1 . 2]" 1
797 1 32 LEU MD2 1 72 HIS HD2 . . 4.620 3.891 2.803 4.430 . 0 0 "[ . 1 . 2]" 1
798 1 32 LEU MD2 1 90 PHE HE2 . . 5.500 3.031 2.340 6.178 0.678 19 1 "[ . 1 . +2]" 1
799 1 32 LEU HG 1 33 SER H . . 5.080 4.885 4.748 5.047 . 0 0 "[ . 1 . 2]" 1
800 1 32 LEU HG 1 34 THR H . . 5.500 5.414 5.080 5.505 0.005 19 0 "[ . 1 . 2]" 1
801 1 32 LEU HG 1 71 GLN HA . . 4.840 4.318 3.842 4.840 0.000 11 0 "[ . 1 . 2]" 1
802 1 32 LEU HG 1 72 HIS HD2 . . 4.000 2.909 2.423 3.329 . 0 0 "[ . 1 . 2]" 1
803 1 33 SER H 1 33 SER HB2 . . 4.000 2.696 2.198 3.658 . 0 0 "[ . 1 . 2]" 1
804 1 33 SER H 1 33 SER QB . . 3.330 2.302 2.177 2.506 . 0 0 "[ . 1 . 2]" 1
805 1 33 SER H 1 33 SER HB3 . . 4.000 2.688 2.371 3.504 . 0 0 "[ . 1 . 2]" 1
806 1 33 SER H 1 34 THR H . . 3.200 2.371 2.133 2.565 . 0 0 "[ . 1 . 2]" 1
807 1 33 SER H 1 34 THR HA . . 5.500 5.014 4.817 5.193 . 0 0 "[ . 1 . 2]" 1
808 1 33 SER HA 1 70 LEU MD1 . . 4.330 3.174 2.914 3.478 . 0 0 "[ . 1 . 2]" 1
809 1 33 SER HA 1 70 LEU MD2 . . 4.580 4.602 4.583 4.638 0.058 16 0 "[ . 1 . 2]" 1
810 1 34 THR H 1 34 THR HB . . 3.730 3.323 3.155 3.519 . 0 0 "[ . 1 . 2]" 1
811 1 34 THR H 1 34 THR MG . . 3.140 2.531 2.258 2.697 . 0 0 "[ . 1 . 2]" 1
812 1 34 THR H 1 36 ILE MG . . 4.870 4.560 3.975 4.953 0.083 12 0 "[ . 1 . 2]" 1
813 1 34 THR H 1 70 LEU HA . . 4.960 4.589 4.209 4.976 0.016 14 0 "[ . 1 . 2]" 1
814 1 34 THR H 1 70 LEU MD2 . . 3.690 3.652 3.558 3.733 0.043 14 0 "[ . 1 . 2]" 1
815 1 34 THR HA 1 34 THR MG . . 3.600 3.191 3.170 3.205 . 0 0 "[ . 1 . 2]" 1
816 1 34 THR HA 1 35 ILE H . . 3.350 2.464 2.209 2.574 . 0 0 "[ . 1 . 2]" 1
817 1 34 THR HA 1 35 ILE HB . . 5.500 5.056 4.830 5.230 . 0 0 "[ . 1 . 2]" 1
818 1 34 THR HA 1 35 ILE QG . . 4.630 3.802 3.352 4.316 . 0 0 "[ . 1 . 2]" 1
819 1 34 THR HA 1 70 LEU QB . . 4.500 3.120 2.716 3.405 . 0 0 "[ . 1 . 2]" 1
820 1 34 THR HA 1 70 LEU MD2 . . 3.120 1.968 1.806 2.410 . 0 0 "[ . 1 . 2]" 1
821 1 34 THR HB 1 35 ILE H . . 4.030 3.765 3.576 3.998 . 0 0 "[ . 1 . 2]" 1
822 1 34 THR HB 1 70 LEU MD2 . . 4.710 4.109 3.746 4.547 . 0 0 "[ . 1 . 2]" 1
823 1 34 THR MG 1 35 ILE H . . 4.280 3.153 2.734 3.893 . 0 0 "[ . 1 . 2]" 1
824 1 34 THR MG 1 36 ILE HB . . 3.770 3.221 2.747 3.459 . 0 0 "[ . 1 . 2]" 1
825 1 35 ILE H 1 35 ILE HB . . 3.480 2.610 2.451 2.731 . 0 0 "[ . 1 . 2]" 1
826 1 35 ILE H 1 35 ILE MD . . 4.350 2.850 1.842 3.575 . 0 0 "[ . 1 . 2]" 1
827 1 35 ILE H 1 35 ILE HG12 . . 4.180 3.496 3.051 3.899 . 0 0 "[ . 1 . 2]" 1
828 1 35 ILE H 1 35 ILE QG . . 3.450 2.232 1.875 2.949 . 0 0 "[ . 1 . 2]" 1
829 1 35 ILE H 1 35 ILE HG13 . . 4.180 2.267 1.892 3.052 . 0 0 "[ . 1 . 2]" 1
830 1 35 ILE H 1 35 ILE MG . . 4.290 3.766 3.752 3.788 . 0 0 "[ . 1 . 2]" 1
831 1 35 ILE H 1 70 LEU MD2 . . 4.090 2.540 1.962 2.890 . 0 0 "[ . 1 . 2]" 1
832 1 35 ILE HA 1 35 ILE MD . . 3.940 3.726 3.371 3.958 0.018 11 0 "[ . 1 . 2]" 1
833 1 35 ILE HA 1 35 ILE HG12 . . 4.210 2.989 2.532 3.568 . 0 0 "[ . 1 . 2]" 1
834 1 35 ILE HA 1 35 ILE QG . . 3.650 2.442 2.289 2.609 . 0 0 "[ . 1 . 2]" 1
835 1 35 ILE HA 1 35 ILE HG13 . . 4.210 2.765 2.321 3.245 . 0 0 "[ . 1 . 2]" 1
836 1 35 ILE HA 1 35 ILE MG . . 3.370 2.313 2.207 2.489 . 0 0 "[ . 1 . 2]" 1
837 1 35 ILE HA 1 36 ILE H . . 3.380 2.224 2.149 2.279 . 0 0 "[ . 1 . 2]" 1
838 1 35 ILE HA 1 67 GLN QE . . 4.870 4.324 3.380 4.814 . 0 0 "[ . 1 . 2]" 1
839 1 35 ILE HA 1 70 LEU QB . . 4.760 3.462 2.980 4.015 . 0 0 "[ . 1 . 2]" 1
840 1 35 ILE HA 1 70 LEU MD2 . . 4.190 2.739 2.307 3.137 . 0 0 "[ . 1 . 2]" 1
841 1 35 ILE HB 1 35 ILE MD . . 3.200 2.261 2.077 2.489 . 0 0 "[ . 1 . 2]" 1
842 1 35 ILE HB 1 36 ILE HA . . 5.500 4.534 4.337 4.685 . 0 0 "[ . 1 . 2]" 1
843 1 35 ILE MD 1 69 GLY HA2 . . 3.960 3.347 2.764 3.748 . 0 0 "[ . 1 . 2]" 1
844 1 35 ILE MD 1 69 GLY QA . . 3.450 3.075 2.710 3.338 . 0 0 "[ . 1 . 2]" 1
845 1 35 ILE MD 1 69 GLY HA3 . . 3.960 3.682 3.217 3.997 0.037 13 0 "[ . 1 . 2]" 1
846 1 35 ILE MD 1 70 LEU H . . 4.580 4.195 3.554 4.622 0.042 5 0 "[ . 1 . 2]" 1
847 1 35 ILE QG 1 69 GLY QA . . 3.550 1.879 1.767 2.011 . 0 0 "[ . 1 . 2]" 1
848 1 35 ILE QG 1 70 LEU MD2 . . 3.100 2.193 1.805 2.806 . 0 0 "[ . 1 . 2]" 1
849 1 35 ILE HG12 1 69 GLY HA2 . . 5.230 2.185 1.978 2.810 . 0 0 "[ . 1 . 2]" 1
850 1 35 ILE HG12 1 69 GLY HA3 . . 5.230 2.908 1.998 3.756 . 0 0 "[ . 1 . 2]" 1
851 1 35 ILE HG13 1 69 GLY HA2 . . 5.230 3.066 1.981 3.796 . 0 0 "[ . 1 . 2]" 1
852 1 35 ILE HG13 1 69 GLY HA3 . . 5.230 3.582 2.047 5.241 0.011 7 0 "[ . 1 . 2]" 1
853 1 35 ILE MG 1 36 ILE H . . 3.760 2.137 1.864 3.151 . 0 0 "[ . 1 . 2]" 1
854 1 35 ILE MG 1 36 ILE HA . . 4.140 3.339 2.914 3.925 . 0 0 "[ . 1 . 2]" 1
855 1 35 ILE MG 1 67 GLN HE21 . . 3.590 3.087 2.460 3.584 . 0 0 "[ . 1 . 2]" 1
856 1 35 ILE MG 1 67 GLN HE22 . . 3.590 3.222 2.077 3.596 0.006 12 0 "[ . 1 . 2]" 1
857 1 35 ILE MG 1 69 GLY HA2 . . 4.410 2.303 1.830 3.085 . 0 0 "[ . 1 . 2]" 1
858 1 35 ILE MG 1 69 GLY QA . . 3.870 2.280 1.818 3.029 . 0 0 "[ . 1 . 2]" 1
859 1 35 ILE MG 1 69 GLY HA3 . . 4.410 3.717 3.097 4.416 0.006 7 0 "[ . 1 . 2]" 1
860 1 36 ILE H 1 36 ILE MG . . 3.550 2.599 2.190 2.805 . 0 0 "[ . 1 . 2]" 1
861 1 36 ILE H 1 67 GLN HE21 . . 4.820 3.739 2.461 4.418 . 0 0 "[ . 1 . 2]" 1
862 1 36 ILE H 1 67 GLN QE . . 4.100 3.443 2.409 4.042 . 0 0 "[ . 1 . 2]" 1
863 1 36 ILE H 1 67 GLN HE22 . . 4.820 4.141 3.287 4.752 . 0 0 "[ . 1 . 2]" 1
864 1 36 ILE H 1 72 HIS HE2 . . 5.400 3.553 3.018 4.042 . 0 0 "[ . 1 . 2]" 1
865 1 36 ILE HA 1 36 ILE MD . . 3.880 3.642 3.533 3.731 . 0 0 "[ . 1 . 2]" 1
866 1 36 ILE HA 1 36 ILE HG12 . . 3.630 3.150 2.938 3.317 . 0 0 "[ . 1 . 2]" 1
867 1 36 ILE HA 1 36 ILE QG . . 3.000 2.240 2.181 2.314 . 0 0 "[ . 1 . 2]" 1
868 1 36 ILE HA 1 36 ILE HG13 . . 3.630 2.294 2.221 2.385 . 0 0 "[ . 1 . 2]" 1
869 1 36 ILE HA 1 36 ILE MG . . 3.690 3.192 3.183 3.199 . 0 0 "[ . 1 . 2]" 1
870 1 36 ILE HA 1 37 GLN H . . 2.880 2.292 2.232 2.406 . 0 0 "[ . 1 . 2]" 1
871 1 36 ILE HB 1 36 ILE MD . . 3.060 2.258 2.124 2.410 . 0 0 "[ . 1 . 2]" 1
872 1 36 ILE HB 1 37 GLN H . . 4.090 3.989 3.828 4.098 0.008 19 0 "[ . 1 . 2]" 1
873 1 36 ILE MD 1 37 GLN H . . 3.960 3.777 3.500 3.946 . 0 0 "[ . 1 . 2]" 1
874 1 36 ILE MD 1 92 CYS HB2 . . 4.360 2.930 2.242 3.523 . 0 0 "[ . 1 . 2]" 1
875 1 36 ILE MD 1 92 CYS HB3 . . 5.500 4.172 3.366 4.848 . 0 0 "[ . 1 . 2]" 1
876 1 36 ILE MD 1 93 PRO HB2 . . 3.910 3.438 3.043 3.836 . 0 0 "[ . 1 . 2]" 1
877 1 36 ILE MD 1 93 PRO HB3 . . 4.470 4.309 4.118 4.464 . 0 0 "[ . 1 . 2]" 1
878 1 36 ILE MD 1 93 PRO HD2 . . 3.390 2.417 1.956 2.793 . 0 0 "[ . 1 . 2]" 1
879 1 36 ILE MD 1 93 PRO HD3 . . 4.010 3.801 3.455 4.030 0.020 15 0 "[ . 1 . 2]" 1
880 1 36 ILE MD 1 93 PRO HG2 . . 4.050 1.918 1.794 2.098 . 0 0 "[ . 1 . 2]" 1
881 1 36 ILE MD 1 93 PRO HG3 . . 3.680 3.352 3.153 3.637 . 0 0 "[ . 1 . 2]" 1
882 1 36 ILE QG 1 36 ILE MG . . 3.100 2.202 2.079 2.307 . 0 0 "[ . 1 . 2]" 1
883 1 36 ILE QG 1 92 CYS HB2 . . 4.870 3.013 2.473 3.777 . 0 0 "[ . 1 . 2]" 1
884 1 36 ILE QG 1 92 CYS HB3 . . 5.300 4.528 4.005 5.310 0.010 7 0 "[ . 1 . 2]" 1
885 1 36 ILE QG 1 93 PRO HD2 . . 4.170 2.718 2.342 3.201 . 0 0 "[ . 1 . 2]" 1
886 1 36 ILE QG 1 93 PRO HD3 . . 4.920 4.138 3.781 4.504 . 0 0 "[ . 1 . 2]" 1
887 1 36 ILE HG12 1 37 GLN H . . 3.330 2.416 1.895 2.781 . 0 0 "[ . 1 . 2]" 1
888 1 36 ILE HG12 1 93 PRO HD2 . . 4.930 2.772 2.385 3.259 . 0 0 "[ . 1 . 2]" 1
889 1 36 ILE HG13 1 37 GLN H . . 3.330 2.337 2.093 2.711 . 0 0 "[ . 1 . 2]" 1
890 1 36 ILE HG13 1 93 PRO HD2 . . 4.930 3.945 3.418 4.689 . 0 0 "[ . 1 . 2]" 1
891 1 36 ILE MG 1 37 GLN H . . 4.030 3.482 3.229 3.715 . 0 0 "[ . 1 . 2]" 1
892 1 36 ILE MG 1 37 GLN HB2 . . 5.500 5.334 5.056 5.536 0.036 7 0 "[ . 1 . 2]" 1
893 1 36 ILE MG 1 37 GLN HB3 . . 5.500 5.334 5.129 5.502 0.002 17 0 "[ . 1 . 2]" 1
894 1 36 ILE MG 1 38 GLY QA . . 5.340 3.790 3.362 4.034 . 0 0 "[ . 1 . 2]" 1
895 1 36 ILE MG 1 72 HIS HE1 . . 4.850 3.648 3.051 4.186 . 0 0 "[ . 1 . 2]" 1
896 1 36 ILE MG 1 72 HIS HE2 . . 4.480 2.585 1.905 2.977 . 0 0 "[ . 1 . 2]" 1
897 1 36 ILE MG 1 90 PHE HZ . . 4.870 2.608 1.949 3.206 . 0 0 "[ . 1 . 2]" 1
898 1 36 ILE MG 1 92 CYS HB2 . . 4.030 3.008 2.723 3.263 . 0 0 "[ . 1 . 2]" 1
899 1 36 ILE MG 1 92 CYS HB3 . . 4.270 3.712 3.401 4.130 . 0 0 "[ . 1 . 2]" 1
900 1 36 ILE MG 1 93 PRO HD2 . . 4.340 3.832 3.447 4.100 . 0 0 "[ . 1 . 2]" 1
901 1 36 ILE MG 1 93 PRO HD3 . . 5.410 5.310 4.938 5.487 0.077 12 0 "[ . 1 . 2]" 1
902 1 37 GLN H 1 37 GLN HB2 . . 3.640 2.921 2.330 3.697 0.057 7 0 "[ . 1 . 2]" 1
903 1 37 GLN H 1 37 GLN QB . . 2.960 2.407 2.300 2.609 . 0 0 "[ . 1 . 2]" 1
904 1 37 GLN H 1 37 GLN HB3 . . 3.640 2.651 2.470 3.543 . 0 0 "[ . 1 . 2]" 1
905 1 37 GLN H 1 37 GLN HG2 . . 5.390 4.250 2.246 4.696 . 0 0 "[ . 1 . 2]" 1
906 1 37 GLN H 1 37 GLN QG . . 4.570 3.830 2.226 4.203 . 0 0 "[ . 1 . 2]" 1
907 1 37 GLN H 1 37 GLN HG3 . . 5.390 4.454 3.381 4.894 . 0 0 "[ . 1 . 2]" 1
908 1 37 GLN H 1 38 GLY H . . 4.620 4.231 3.715 4.541 . 0 0 "[ . 1 . 2]" 1
909 1 37 GLN HA 1 37 GLN HG2 . . 4.100 3.008 2.344 3.740 . 0 0 "[ . 1 . 2]" 1
910 1 37 GLN HA 1 37 GLN HG3 . . 4.100 2.960 2.319 4.204 0.104 7 0 "[ . 1 . 2]" 1
911 1 37 GLN HA 1 38 GLY H . . 2.830 2.180 2.144 2.303 . 0 0 "[ . 1 . 2]" 1
912 1 37 GLN HA 1 72 HIS HE1 . . 3.700 3.216 2.196 3.705 0.005 2 0 "[ . 1 . 2]" 1
913 1 37 GLN QB 1 37 GLN QE . . 3.920 3.191 2.318 3.683 . 0 0 "[ . 1 . 2]" 1
914 1 37 GLN QB 1 38 GLY H . . 4.050 3.796 2.981 4.044 . 0 0 "[ . 1 . 2]" 1
915 1 37 GLN HB2 1 38 GLY H . . 4.650 4.293 3.050 4.626 . 0 0 "[ . 1 . 2]" 1
916 1 37 GLN HB3 1 38 GLY H . . 4.650 4.320 3.721 4.514 . 0 0 "[ . 1 . 2]" 1
917 1 37 GLN QG 1 38 GLY H . . 4.040 3.388 3.020 4.048 0.008 19 0 "[ . 1 . 2]" 1
918 1 37 GLN HG2 1 38 GLY H . . 4.810 3.733 3.116 4.788 . 0 0 "[ . 1 . 2]" 1
919 1 37 GLN HG3 1 38 GLY H . . 4.810 4.178 3.056 4.810 0.000 1 0 "[ . 1 . 2]" 1
920 1 38 GLY H 1 39 THR H . . 4.620 4.325 4.151 4.429 . 0 0 "[ . 1 . 2]" 1
921 1 38 GLY H 1 72 HIS HE1 . . 3.450 2.698 2.255 3.065 . 0 0 "[ . 1 . 2]" 1
922 1 38 GLY H 1 90 PHE HZ . . 4.760 3.011 1.905 4.021 . 0 0 "[ . 1 . 2]" 1
923 1 38 GLY QA 1 72 HIS HE1 . . 4.740 4.092 3.085 4.705 . 0 0 "[ . 1 . 2]" 1
924 1 38 GLY QA 1 90 PHE HZ . . 3.530 2.354 2.126 2.667 . 0 0 "[ . 1 . 2]" 1
925 1 38 GLY QA 1 92 CYS HA . . 4.730 2.619 2.415 2.819 . 0 0 "[ . 1 . 2]" 1
926 1 38 GLY QA 1 92 CYS HB2 . . 3.900 2.549 2.294 2.694 . 0 0 "[ . 1 . 2]" 1
927 1 38 GLY QA 1 92 CYS HB3 . . 3.630 2.679 2.441 2.853 . 0 0 "[ . 1 . 2]" 1
928 1 38 GLY QA 1 93 PRO HD2 . . 4.570 3.132 2.866 3.320 . 0 0 "[ . 1 . 2]" 1
929 1 38 GLY QA 1 93 PRO HD3 . . 4.750 3.296 3.100 3.580 . 0 0 "[ . 1 . 2]" 1
930 1 38 GLY HA2 1 39 THR H . . 3.260 2.754 2.593 2.942 . 0 0 "[ . 1 . 2]" 1
931 1 38 GLY HA2 1 90 PHE HZ . . 4.130 3.778 3.582 4.009 . 0 0 "[ . 1 . 2]" 1
932 1 38 GLY HA2 1 92 CYS HB2 . . 4.490 2.971 2.401 3.348 . 0 0 "[ . 1 . 2]" 1
933 1 38 GLY HA2 1 92 CYS HB3 . . 4.400 3.634 2.945 4.121 . 0 0 "[ . 1 . 2]" 1
934 1 38 GLY HA3 1 39 THR H . . 3.260 2.391 2.248 2.531 . 0 0 "[ . 1 . 2]" 1
935 1 38 GLY HA3 1 90 PHE HZ . . 4.130 2.379 2.139 2.714 . 0 0 "[ . 1 . 2]" 1
936 1 38 GLY HA3 1 92 CYS HB2 . . 4.490 2.802 2.508 2.969 . 0 0 "[ . 1 . 2]" 1
937 1 38 GLY HA3 1 92 CYS HB3 . . 4.400 2.767 2.487 2.909 . 0 0 "[ . 1 . 2]" 1
938 1 39 THR H 1 39 THR HB . . 3.360 2.768 2.686 2.853 . 0 0 "[ . 1 . 2]" 1
939 1 39 THR H 1 39 THR MG . . 4.110 3.877 3.805 3.940 . 0 0 "[ . 1 . 2]" 1
940 1 39 THR H 1 40 TRP H . . 4.590 4.355 4.273 4.422 . 0 0 "[ . 1 . 2]" 1
941 1 39 THR H 1 90 PHE HA . . 4.520 4.382 4.182 4.536 0.016 18 0 "[ . 1 . 2]" 1
942 1 39 THR H 1 90 PHE HZ . . 4.920 4.454 4.238 4.940 0.020 17 0 "[ . 1 . 2]" 1
943 1 39 THR H 1 91 SER H . . 3.610 3.360 3.038 3.610 . 19 0 "[ . 1 . 2]" 1
944 1 39 THR H 1 91 SER QB . . 5.150 4.425 4.202 4.656 . 0 0 "[ . 1 . 2]" 1
945 1 39 THR H 1 92 CYS HB2 . . 4.720 4.455 4.127 4.699 . 0 0 "[ . 1 . 2]" 1
946 1 39 THR H 1 92 CYS HB3 . . 4.540 3.902 3.495 4.168 . 0 0 "[ . 1 . 2]" 1
947 1 39 THR HA 1 39 THR MG . . 3.250 2.409 2.333 2.497 . 0 0 "[ . 1 . 2]" 1
948 1 39 THR HA 1 40 TRP H . . 2.860 2.221 2.164 2.314 . 0 0 "[ . 1 . 2]" 1
949 1 39 THR HA 1 40 TRP HB2 . . 4.560 4.404 4.352 4.532 . 0 0 "[ . 1 . 2]" 1
950 1 39 THR HA 1 40 TRP HD1 . . 4.700 4.072 3.576 4.526 . 0 0 "[ . 1 . 2]" 1
951 1 39 THR HB 1 40 TRP H . . 4.730 4.022 3.718 4.218 . 0 0 "[ . 1 . 2]" 1
952 1 39 THR HB 1 41 PHE QE . . 3.760 2.684 2.285 3.050 . 0 0 "[ . 1 . 2]" 1
953 1 39 THR HB 1 41 PHE HZ . . 5.170 4.792 4.267 5.170 . 0 0 "[ . 1 . 2]" 1
954 1 39 THR HB 1 91 SER H . . 4.190 4.047 3.565 4.206 0.016 16 0 "[ . 1 . 2]" 1
955 1 39 THR HB 1 91 SER QB . . 4.700 4.235 3.951 4.476 . 0 0 "[ . 1 . 2]" 1
956 1 39 THR MG 1 40 TRP H . . 3.380 2.070 1.878 2.442 . 0 0 "[ . 1 . 2]" 1
957 1 39 THR MG 1 40 TRP HA . . 4.800 3.793 3.627 3.965 . 0 0 "[ . 1 . 2]" 1
958 1 39 THR MG 1 40 TRP HD1 . . 5.480 4.768 4.334 5.008 . 0 0 "[ . 1 . 2]" 1
959 1 39 THR MG 1 41 PHE QD . . 4.370 2.940 2.718 3.140 . 0 0 "[ . 1 . 2]" 1
960 1 39 THR MG 1 41 PHE QE . . 3.370 2.419 2.011 2.845 . 0 0 "[ . 1 . 2]" 1
961 1 39 THR MG 1 41 PHE HZ . . 4.270 3.940 3.377 4.273 0.003 16 0 "[ . 1 . 2]" 1
962 1 39 THR MG 1 46 GLU HA . . 4.160 3.730 3.280 4.033 . 0 0 "[ . 1 . 2]" 1
963 1 39 THR MG 1 46 GLU HB2 . . 4.600 3.852 3.303 4.399 . 0 0 "[ . 1 . 2]" 1
964 1 39 THR MG 1 46 GLU HB3 . . 4.600 4.356 3.926 4.581 . 0 0 "[ . 1 . 2]" 1
965 1 39 THR MG 1 46 GLU QG . . 3.030 1.933 1.676 2.181 . 0 0 "[ . 1 . 2]" 1
966 1 39 THR MG 1 47 LEU H . . 4.250 3.195 2.918 3.669 . 0 0 "[ . 1 . 2]" 1
967 1 39 THR MG 1 91 SER H . . 4.840 4.343 4.100 4.623 . 0 0 "[ . 1 . 2]" 1
968 1 39 THR MG 1 91 SER HB2 . . 5.500 5.443 5.162 5.512 0.012 20 0 "[ . 1 . 2]" 1
969 1 39 THR MG 1 91 SER QB . . 4.820 4.747 4.605 4.825 0.005 4 0 "[ . 1 . 2]" 1
970 1 39 THR MG 1 91 SER HB3 . . 5.500 5.239 4.985 5.508 0.008 13 0 "[ . 1 . 2]" 1
971 1 40 TRP H 1 40 TRP HB2 . . 3.410 2.306 2.259 2.427 . 0 0 "[ . 1 . 2]" 1
972 1 40 TRP H 1 40 TRP HB3 . . 3.890 3.571 3.544 3.651 . 0 0 "[ . 1 . 2]" 1
973 1 40 TRP H 1 40 TRP HD1 . . 4.000 3.099 2.772 3.460 . 0 0 "[ . 1 . 2]" 1
974 1 40 TRP H 1 46 GLU QG . . 4.850 4.478 3.839 4.861 0.011 11 0 "[ . 1 . 2]" 1
975 1 40 TRP H 1 47 LEU HB2 . . 4.800 3.852 3.612 4.050 . 0 0 "[ . 1 . 2]" 1
976 1 40 TRP H 1 47 LEU HB3 . . 5.500 5.329 5.085 5.508 0.008 4 0 "[ . 1 . 2]" 1
977 1 40 TRP H 1 47 LEU MD1 . . 4.930 4.327 3.657 4.770 . 0 0 "[ . 1 . 2]" 1
978 1 40 TRP H 1 65 ILE MD . . 4.440 4.224 3.606 4.442 0.002 8 0 "[ . 1 . 2]" 1
979 1 40 TRP HA 1 40 TRP HE3 . . 4.000 3.044 2.654 3.415 . 0 0 "[ . 1 . 2]" 1
980 1 40 TRP HA 1 41 PHE H . . 3.010 2.275 2.176 2.402 . 0 0 "[ . 1 . 2]" 1
981 1 40 TRP HA 1 41 PHE HA . . 4.710 4.423 4.389 4.488 . 0 0 "[ . 1 . 2]" 1
982 1 40 TRP HA 1 41 PHE HB2 . . 5.140 4.211 4.145 4.290 . 0 0 "[ . 1 . 2]" 1
983 1 40 TRP HA 1 41 PHE QD . . 4.230 3.309 3.090 3.550 . 0 0 "[ . 1 . 2]" 1
984 1 40 TRP HA 1 90 PHE HA . . 3.310 2.430 2.080 2.954 . 0 0 "[ . 1 . 2]" 1
985 1 40 TRP HA 1 90 PHE QB . . 5.060 3.644 3.115 4.138 . 0 0 "[ . 1 . 2]" 1
986 1 40 TRP HA 1 91 SER H . . 3.870 3.459 3.123 3.805 . 0 0 "[ . 1 . 2]" 1
987 1 40 TRP HB2 1 41 PHE H . . 4.340 4.042 3.783 4.266 . 0 0 "[ . 1 . 2]" 1
988 1 40 TRP HB2 1 47 LEU HB2 . . 4.700 2.925 2.484 3.196 . 0 0 "[ . 1 . 2]" 1
989 1 40 TRP HB2 1 47 LEU HB3 . . 5.090 4.163 3.745 4.453 . 0 0 "[ . 1 . 2]" 1
990 1 40 TRP HB2 1 47 LEU MD1 . . 3.810 2.638 2.024 3.138 . 0 0 "[ . 1 . 2]" 1
991 1 40 TRP HB2 1 47 LEU MD2 . . 5.500 5.029 4.770 5.365 . 0 0 "[ . 1 . 2]" 1
992 1 40 TRP HB2 1 65 ILE MD . . 3.650 3.086 2.586 3.381 . 0 0 "[ . 1 . 2]" 1
993 1 40 TRP HB2 1 65 ILE QG . . 4.840 4.024 3.409 4.362 . 0 0 "[ . 1 . 2]" 1
994 1 40 TRP HB2 1 74 LEU HB2 . . 5.500 4.866 4.414 5.214 . 0 0 "[ . 1 . 2]" 1
995 1 40 TRP HB2 1 74 LEU QD . . 4.780 3.301 2.796 3.817 . 0 0 "[ . 1 . 2]" 1
996 1 40 TRP HB3 1 40 TRP HE3 . . 4.200 2.653 2.513 2.824 . 0 0 "[ . 1 . 2]" 1
997 1 40 TRP HB3 1 41 PHE H . . 3.860 2.820 2.446 3.179 . 0 0 "[ . 1 . 2]" 1
998 1 40 TRP HB3 1 47 LEU HB2 . . 4.900 3.540 3.133 4.039 . 0 0 "[ . 1 . 2]" 1
999 1 40 TRP HB3 1 47 LEU HB3 . . 5.470 4.789 4.400 5.156 . 0 0 "[ . 1 . 2]" 1
1000 1 40 TRP HB3 1 47 LEU MD1 . . 3.850 2.188 1.937 2.802 . 0 0 "[ . 1 . 2]" 1
1001 1 40 TRP HB3 1 65 ILE MD . . 4.650 4.197 3.699 4.632 . 0 0 "[ . 1 . 2]" 1
1002 1 40 TRP HB3 1 74 LEU HB2 . . 5.480 4.413 4.078 4.861 . 0 0 "[ . 1 . 2]" 1
1003 1 40 TRP HB3 1 74 LEU MD1 . . 4.470 3.642 2.942 4.476 0.006 20 0 "[ . 1 . 2]" 1
1004 1 40 TRP HB3 1 74 LEU QD . . 3.740 2.554 2.043 3.103 . 0 0 "[ . 1 . 2]" 1
1005 1 40 TRP HB3 1 74 LEU MD2 . . 4.470 2.715 2.055 4.480 0.010 17 0 "[ . 1 . 2]" 1
1006 1 40 TRP HD1 1 65 ILE MD . . 3.420 2.961 2.385 3.308 . 0 0 "[ . 1 . 2]" 1
1007 1 40 TRP HD1 1 65 ILE QG . . 4.840 3.429 2.493 4.193 . 0 0 "[ . 1 . 2]" 1
1008 1 40 TRP HD1 1 65 ILE MG . . 3.410 2.454 1.928 2.768 . 0 0 "[ . 1 . 2]" 1
1009 1 40 TRP HE1 1 65 ILE MG . . 3.670 2.577 1.968 3.108 . 0 0 "[ . 1 . 2]" 1
1010 1 40 TRP HE1 1 72 HIS HB2 . . 4.910 4.293 3.787 4.794 . 0 0 "[ . 1 . 2]" 1
1011 1 40 TRP HE1 1 72 HIS HB3 . . 4.210 2.688 2.252 3.222 . 0 0 "[ . 1 . 2]" 1
1012 1 40 TRP HE1 1 73 ARG H . . 4.740 3.637 2.987 4.268 . 0 0 "[ . 1 . 2]" 1
1013 1 40 TRP HE3 1 41 PHE H . . 4.110 2.887 2.487 3.255 . 0 0 "[ . 1 . 2]" 1
1014 1 40 TRP HE3 1 74 LEU QD . . 3.690 2.671 2.213 3.373 . 0 0 "[ . 1 . 2]" 1
1015 1 40 TRP HE3 1 88 VAL MG1 . . 3.350 2.438 2.158 2.909 . 0 0 "[ . 1 . 2]" 1
1016 1 40 TRP HE3 1 89 GLY H . . 4.630 3.691 3.520 3.991 . 0 0 "[ . 1 . 2]" 1
1017 1 40 TRP HE3 1 90 PHE HA . . 5.430 3.863 3.323 4.041 . 0 0 "[ . 1 . 2]" 1
1018 1 40 TRP HH2 1 72 HIS HB3 . . 5.500 4.454 4.070 4.865 . 0 0 "[ . 1 . 2]" 1
1019 1 40 TRP HH2 1 73 ARG HA . . 4.390 3.766 3.444 4.252 . 0 0 "[ . 1 . 2]" 1
1020 1 40 TRP HH2 1 74 LEU H . . 4.240 3.835 3.433 4.128 . 0 0 "[ . 1 . 2]" 1
1021 1 40 TRP HH2 1 74 LEU HB2 . . 5.500 4.466 3.717 4.849 . 0 0 "[ . 1 . 2]" 1
1022 1 40 TRP HH2 1 74 LEU HB3 . . 5.500 3.748 3.317 4.265 . 0 0 "[ . 1 . 2]" 1
1023 1 40 TRP HZ2 1 72 HIS H . . 5.250 4.902 4.517 5.245 . 0 0 "[ . 1 . 2]" 1
1024 1 40 TRP HZ2 1 72 HIS HA . . 4.690 4.058 3.734 4.351 . 0 0 "[ . 1 . 2]" 1
1025 1 40 TRP HZ2 1 72 HIS HB2 . . 4.120 2.869 2.334 3.181 . 0 0 "[ . 1 . 2]" 1
1026 1 40 TRP HZ2 1 72 HIS HB3 . . 3.720 2.244 2.027 2.769 . 0 0 "[ . 1 . 2]" 1
1027 1 40 TRP HZ2 1 73 ARG H . . 4.010 3.144 2.650 3.616 . 0 0 "[ . 1 . 2]" 1
1028 1 40 TRP HZ2 1 73 ARG HA . . 4.180 3.157 2.569 3.703 . 0 0 "[ . 1 . 2]" 1
1029 1 40 TRP HZ2 1 74 LEU H . . 4.510 3.810 3.426 4.225 . 0 0 "[ . 1 . 2]" 1
1030 1 40 TRP HZ3 1 74 LEU HB2 . . 5.500 4.659 3.996 5.173 . 0 0 "[ . 1 . 2]" 1
1031 1 40 TRP HZ3 1 74 LEU HB3 . . 5.280 3.741 3.359 4.071 . 0 0 "[ . 1 . 2]" 1
1032 1 40 TRP HZ3 1 74 LEU QD . . 4.310 3.429 2.812 3.928 . 0 0 "[ . 1 . 2]" 1
1033 1 40 TRP HZ3 1 88 VAL MG1 . . 3.260 2.243 1.952 2.706 . 0 0 "[ . 1 . 2]" 1
1034 1 40 TRP HZ3 1 89 GLY H . . 5.380 4.603 4.358 4.965 . 0 0 "[ . 1 . 2]" 1
1035 1 40 TRP HZ3 1 89 GLY HA2 . . 4.770 3.921 3.321 4.184 . 0 0 "[ . 1 . 2]" 1
1036 1 40 TRP HZ3 1 89 GLY HA3 . . 5.500 5.364 4.813 5.510 0.010 13 0 "[ . 1 . 2]" 1
1037 1 40 TRP HZ3 1 90 PHE H . . 4.940 4.449 3.754 4.934 . 0 0 "[ . 1 . 2]" 1
1038 1 40 TRP HZ3 1 90 PHE QB . . 5.030 3.584 2.942 3.902 . 0 0 "[ . 1 . 2]" 1
1039 1 41 PHE H 1 41 PHE HB2 . . 3.730 2.521 2.397 2.711 . 0 0 "[ . 1 . 2]" 1
1040 1 41 PHE H 1 41 PHE QD . . 3.660 3.090 2.894 3.265 . 0 0 "[ . 1 . 2]" 1
1041 1 41 PHE H 1 41 PHE QE . . 5.500 5.354 5.174 5.506 0.006 10 0 "[ . 1 . 2]" 1
1042 1 41 PHE H 1 42 LEU H . . 4.950 4.455 4.344 4.513 . 0 0 "[ . 1 . 2]" 1
1043 1 41 PHE H 1 47 LEU MD1 . . 5.060 3.543 3.234 3.936 . 0 0 "[ . 1 . 2]" 1
1044 1 41 PHE H 1 88 VAL HA . . 4.710 4.188 3.735 4.406 . 0 0 "[ . 1 . 2]" 1
1045 1 41 PHE H 1 88 VAL MG1 . . 4.850 3.786 3.156 4.183 . 0 0 "[ . 1 . 2]" 1
1046 1 41 PHE H 1 89 GLY HA3 . . 4.640 4.485 4.253 4.644 0.004 20 0 "[ . 1 . 2]" 1
1047 1 41 PHE H 1 90 PHE HA . . 4.070 3.562 3.291 3.976 . 0 0 "[ . 1 . 2]" 1
1048 1 41 PHE HA 1 41 PHE QD . . 4.140 2.980 2.819 3.071 . 0 0 "[ . 1 . 2]" 1
1049 1 41 PHE HA 1 41 PHE QE . . 4.720 4.505 4.457 4.556 . 0 0 "[ . 1 . 2]" 1
1050 1 41 PHE HA 1 42 LEU H . . 2.910 2.335 2.180 2.421 . 0 0 "[ . 1 . 2]" 1
1051 1 41 PHE HA 1 42 LEU QB . . 4.860 3.894 3.816 3.974 . 0 0 "[ . 1 . 2]" 1
1052 1 41 PHE HA 1 46 GLU H . . 5.190 4.826 4.595 5.053 . 0 0 "[ . 1 . 2]" 1
1053 1 41 PHE HA 1 46 GLU HA . . 3.590 2.323 1.989 2.947 . 0 0 "[ . 1 . 2]" 1
1054 1 41 PHE HA 1 46 GLU QB . . 5.250 4.337 3.967 4.896 . 0 0 "[ . 1 . 2]" 1
1055 1 41 PHE HA 1 47 LEU H . . 3.840 2.751 2.005 3.105 . 0 0 "[ . 1 . 2]" 1
1056 1 41 PHE HA 1 47 LEU MD1 . . 4.110 3.505 3.127 3.758 . 0 0 "[ . 1 . 2]" 1
1057 1 41 PHE HA 1 47 LEU MD2 . . 4.690 4.576 4.161 4.692 0.002 3 0 "[ . 1 . 2]" 1
1058 1 41 PHE HA 1 47 LEU HG . . 4.050 3.071 2.739 3.195 . 0 0 "[ . 1 . 2]" 1
1059 1 41 PHE HB2 1 42 LEU H . . 4.460 3.982 3.805 4.279 . 0 0 "[ . 1 . 2]" 1
1060 1 41 PHE HB2 1 89 GLY H . . 3.810 2.910 2.614 3.407 . 0 0 "[ . 1 . 2]" 1
1061 1 41 PHE HB2 1 89 GLY HA2 . . 5.250 4.859 4.557 5.157 . 0 0 "[ . 1 . 2]" 1
1062 1 41 PHE HB2 1 89 GLY HA3 . . 3.900 3.673 3.240 3.904 0.004 11 0 "[ . 1 . 2]" 1
1063 1 41 PHE HB3 1 42 LEU H . . 3.810 2.675 2.426 3.176 . 0 0 "[ . 1 . 2]" 1
1064 1 41 PHE HB3 1 44 GLY H . . 3.970 3.600 3.440 3.764 . 0 0 "[ . 1 . 2]" 1
1065 1 41 PHE HB3 1 44 GLY HA2 . . 4.440 4.008 3.764 4.185 . 0 0 "[ . 1 . 2]" 1
1066 1 41 PHE HB3 1 44 GLY HA3 . . 5.500 5.362 5.176 5.510 0.010 13 0 "[ . 1 . 2]" 1
1067 1 41 PHE HB3 1 45 GLU H . . 4.710 4.298 3.477 4.730 0.020 11 0 "[ . 1 . 2]" 1
1068 1 41 PHE HB3 1 89 GLY H . . 4.640 3.720 3.406 4.155 . 0 0 "[ . 1 . 2]" 1
1069 1 41 PHE HB3 1 89 GLY HA3 . . 5.430 4.872 4.545 5.181 . 0 0 "[ . 1 . 2]" 1
1070 1 41 PHE QD 1 42 LEU H . . 4.790 3.605 3.257 3.868 . 0 0 "[ . 1 . 2]" 1
1071 1 41 PHE QD 1 45 GLU H . . 4.640 3.937 3.001 4.431 . 0 0 "[ . 1 . 2]" 1
1072 1 41 PHE QD 1 46 GLU H . . 4.420 4.239 3.743 4.426 0.006 19 0 "[ . 1 . 2]" 1
1073 1 41 PHE QD 1 46 GLU HA . . 4.090 3.187 2.805 3.506 . 0 0 "[ . 1 . 2]" 1
1074 1 41 PHE QD 1 46 GLU QB . . 4.330 3.697 3.349 4.134 . 0 0 "[ . 1 . 2]" 1
1075 1 41 PHE QD 1 46 GLU QG . . 4.770 3.652 3.071 4.296 . 0 0 "[ . 1 . 2]" 1
1076 1 41 PHE QD 1 47 LEU H . . 4.930 4.214 3.848 4.456 . 0 0 "[ . 1 . 2]" 1
1077 1 41 PHE QD 1 89 GLY H . . 5.500 4.816 4.551 5.142 . 0 0 "[ . 1 . 2]" 1
1078 1 41 PHE QD 1 89 GLY HA3 . . 5.500 5.265 4.960 5.472 . 0 0 "[ . 1 . 2]" 1
1079 1 41 PHE QD 1 90 PHE HA . . 4.340 3.951 3.584 4.298 . 0 0 "[ . 1 . 2]" 1
1080 1 41 PHE QD 1 91 SER H . . 4.450 3.057 2.752 3.382 . 0 0 "[ . 1 . 2]" 1
1081 1 41 PHE QD 1 91 SER HB2 . . 5.100 4.854 4.605 5.100 . 0 0 "[ . 1 . 2]" 1
1082 1 41 PHE QD 1 91 SER QB . . 4.400 3.626 3.341 3.816 . 0 0 "[ . 1 . 2]" 1
1083 1 41 PHE QD 1 91 SER HB3 . . 5.100 3.747 3.419 3.974 . 0 0 "[ . 1 . 2]" 1
1084 1 41 PHE QE 1 46 GLU H . . 4.740 4.201 3.641 4.612 . 0 0 "[ . 1 . 2]" 1
1085 1 41 PHE QE 1 46 GLU HA . . 4.430 3.686 3.432 3.892 . 0 0 "[ . 1 . 2]" 1
1086 1 41 PHE QE 1 46 GLU HB2 . . 4.690 2.837 2.358 3.183 . 0 0 "[ . 1 . 2]" 1
1087 1 41 PHE QE 1 46 GLU QB . . 4.000 2.796 2.340 3.130 . 0 0 "[ . 1 . 2]" 1
1088 1 41 PHE QE 1 46 GLU HB3 . . 4.690 4.259 3.926 4.620 . 0 0 "[ . 1 . 2]" 1
1089 1 41 PHE QE 1 46 GLU QG . . 4.550 3.021 2.628 3.819 . 0 0 "[ . 1 . 2]" 1
1090 1 41 PHE QE 1 91 SER H . . 4.130 3.949 3.679 4.153 0.023 14 0 "[ . 1 . 2]" 1
1091 1 41 PHE QE 1 91 SER HB2 . . 4.120 3.940 3.719 4.077 . 0 0 "[ . 1 . 2]" 1
1092 1 41 PHE QE 1 91 SER QB . . 3.340 3.331 3.181 3.390 0.050 11 0 "[ . 1 . 2]" 1
1093 1 41 PHE QE 1 91 SER HB3 . . 4.120 3.602 3.401 3.906 . 0 0 "[ . 1 . 2]" 1
1094 1 41 PHE HZ 1 46 GLU HB2 . . 5.270 2.957 2.558 3.609 . 0 0 "[ . 1 . 2]" 1
1095 1 41 PHE HZ 1 46 GLU QB . . 4.620 2.921 2.535 3.526 . 0 0 "[ . 1 . 2]" 1
1096 1 41 PHE HZ 1 46 GLU HB3 . . 5.270 4.554 4.134 4.952 . 0 0 "[ . 1 . 2]" 1
1097 1 41 PHE HZ 1 46 GLU QG . . 5.090 3.473 2.861 4.151 . 0 0 "[ . 1 . 2]" 1
1098 1 41 PHE HZ 1 91 SER QB . . 5.300 4.402 3.895 4.939 . 0 0 "[ . 1 . 2]" 1
1099 1 42 LEU H 1 42 LEU HB2 . . 3.830 3.228 2.767 3.521 . 0 0 "[ . 1 . 2]" 1
1100 1 42 LEU H 1 42 LEU QB . . 3.260 2.655 2.498 2.761 . 0 0 "[ . 1 . 2]" 1
1101 1 42 LEU H 1 42 LEU HB3 . . 3.830 2.851 2.618 3.093 . 0 0 "[ . 1 . 2]" 1
1102 1 42 LEU H 1 42 LEU MD1 . . 4.880 4.397 4.098 4.632 . 0 0 "[ . 1 . 2]" 1
1103 1 42 LEU H 1 42 LEU QD . . 4.240 3.975 3.682 4.048 . 0 0 "[ . 1 . 2]" 1
1104 1 42 LEU H 1 42 LEU MD2 . . 4.880 4.556 4.049 4.764 . 0 0 "[ . 1 . 2]" 1
1105 1 42 LEU H 1 42 LEU HG . . 4.830 4.541 4.273 4.894 0.064 12 0 "[ . 1 . 2]" 1
1106 1 42 LEU H 1 43 ASN H . . 4.840 4.043 3.878 4.398 . 0 0 "[ . 1 . 2]" 1
1107 1 42 LEU H 1 44 GLY H . . 4.700 3.889 3.593 4.260 . 0 0 "[ . 1 . 2]" 1
1108 1 42 LEU H 1 45 GLU H . . 3.610 3.317 2.461 3.628 0.018 12 0 "[ . 1 . 2]" 1
1109 1 42 LEU H 1 45 GLU HB2 . . 5.120 4.422 3.650 5.133 0.013 18 0 "[ . 1 . 2]" 1
1110 1 42 LEU H 1 45 GLU QB . . 4.320 3.789 3.337 4.402 0.082 6 0 "[ . 1 . 2]" 1
1111 1 42 LEU H 1 45 GLU HB3 . . 5.120 4.285 3.399 5.068 . 0 0 "[ . 1 . 2]" 1
1112 1 42 LEU H 1 46 GLU HA . . 4.300 3.473 3.259 4.192 . 0 0 "[ . 1 . 2]" 1
1113 1 42 LEU H 1 47 LEU H . . 4.840 4.310 3.371 4.733 . 0 0 "[ . 1 . 2]" 1
1114 1 42 LEU H 1 47 LEU MD1 . . 4.260 4.015 3.404 4.254 . 0 0 "[ . 1 . 2]" 1
1115 1 42 LEU H 1 47 LEU MD2 . . 4.410 4.281 3.927 4.421 0.011 14 0 "[ . 1 . 2]" 1
1116 1 42 LEU H 1 47 LEU HG . . 4.180 3.349 2.913 3.631 . 0 0 "[ . 1 . 2]" 1
1117 1 42 LEU HA 1 42 LEU MD1 . . 4.170 2.344 1.990 3.550 . 0 0 "[ . 1 . 2]" 1
1118 1 42 LEU HA 1 42 LEU QD . . 2.960 2.266 1.983 2.918 . 0 0 "[ . 1 . 2]" 1
1119 1 42 LEU HA 1 42 LEU MD2 . . 4.170 3.766 2.080 3.985 . 0 0 "[ . 1 . 2]" 1
1120 1 42 LEU HA 1 42 LEU HG . . 4.000 3.031 2.263 3.693 . 0 0 "[ . 1 . 2]" 1
1121 1 42 LEU HA 1 43 ASN H . . 3.070 2.148 2.140 2.176 . 0 0 "[ . 1 . 2]" 1
1122 1 42 LEU HA 1 43 ASN HA . . 4.540 4.365 4.361 4.374 . 0 0 "[ . 1 . 2]" 1
1123 1 42 LEU HA 1 44 GLY H . . 4.360 3.882 3.555 4.127 . 0 0 "[ . 1 . 2]" 1
1124 1 42 LEU HA 1 45 GLU H . . 5.120 4.745 4.260 5.038 . 0 0 "[ . 1 . 2]" 1
1125 1 42 LEU HA 1 87 LEU H . . 4.970 3.978 3.598 4.351 . 0 0 "[ . 1 . 2]" 1
1126 1 42 LEU HA 1 88 VAL H . . 5.150 4.799 4.463 5.095 . 0 0 "[ . 1 . 2]" 1
1127 1 42 LEU HA 1 88 VAL HA . . 3.580 2.913 2.630 3.186 . 0 0 "[ . 1 . 2]" 1
1128 1 42 LEU HA 1 88 VAL MG1 . . 5.320 4.152 3.694 4.616 . 0 0 "[ . 1 . 2]" 1
1129 1 42 LEU HA 1 88 VAL MG2 . . 4.430 3.237 2.770 3.554 . 0 0 "[ . 1 . 2]" 1
1130 1 42 LEU HA 1 89 GLY H . . 5.350 4.146 3.850 4.563 . 0 0 "[ . 1 . 2]" 1
1131 1 42 LEU QB 1 42 LEU QD . . 2.620 1.874 1.754 1.991 . 0 0 "[ . 1 . 2]" 1
1132 1 42 LEU QB 1 45 GLU H . . 4.790 4.415 4.219 4.742 . 0 0 "[ . 1 . 2]" 1
1133 1 42 LEU QB 1 47 LEU MD1 . . 3.320 2.361 1.884 2.714 . 0 0 "[ . 1 . 2]" 1
1134 1 42 LEU QB 1 47 LEU MD2 . . 3.330 2.393 2.045 2.779 . 0 0 "[ . 1 . 2]" 1
1135 1 42 LEU QB 1 88 VAL MG2 . . 4.570 3.948 3.520 4.472 . 0 0 "[ . 1 . 2]" 1
1136 1 42 LEU HB2 1 42 LEU MD1 . . 3.660 2.286 2.033 3.189 . 0 0 "[ . 1 . 2]" 1
1137 1 42 LEU HB2 1 42 LEU MD2 . . 3.660 2.506 2.214 3.110 . 0 0 "[ . 1 . 2]" 1
1138 1 42 LEU HB2 1 47 LEU MD1 . . 3.920 2.406 1.969 2.807 . 0 0 "[ . 1 . 2]" 1
1139 1 42 LEU HB2 1 47 LEU MD2 . . 3.950 2.680 2.157 3.306 . 0 0 "[ . 1 . 2]" 1
1140 1 42 LEU HB3 1 42 LEU MD1 . . 3.660 3.093 2.268 3.192 . 0 0 "[ . 1 . 2]" 1
1141 1 42 LEU HB3 1 42 LEU MD2 . . 3.660 2.228 1.974 3.182 . 0 0 "[ . 1 . 2]" 1
1142 1 42 LEU HB3 1 47 LEU MD1 . . 3.920 3.512 2.331 3.917 . 0 0 "[ . 1 . 2]" 1
1143 1 42 LEU HB3 1 47 LEU MD2 . . 3.950 2.756 2.301 3.201 . 0 0 "[ . 1 . 2]" 1
1144 1 42 LEU QD 1 43 ASN H . . 3.500 2.973 1.851 3.465 . 0 0 "[ . 1 . 2]" 1
1145 1 42 LEU QD 1 43 ASN QD . . 3.770 2.455 1.732 3.346 . 0 0 "[ . 1 . 2]" 1
1146 1 42 LEU QD 1 47 LEU MD1 . . 3.760 2.892 2.259 3.410 . 0 0 "[ . 1 . 2]" 1
1147 1 42 LEU QD 1 47 LEU MD2 . . 3.390 2.351 1.954 3.389 . 0 0 "[ . 1 . 2]" 1
1148 1 42 LEU QD 1 86 ALA HA . . 4.540 4.169 3.073 4.546 0.006 16 0 "[ . 1 . 2]" 1
1149 1 42 LEU QD 1 86 ALA MB . . 2.950 2.296 1.832 2.602 . 0 0 "[ . 1 . 2]" 1
1150 1 42 LEU QD 1 87 LEU H . . 4.270 3.511 2.755 4.114 . 0 0 "[ . 1 . 2]" 1
1151 1 42 LEU QD 1 88 VAL H . . 5.100 4.510 4.043 4.923 . 0 0 "[ . 1 . 2]" 1
1152 1 42 LEU QD 1 88 VAL HA . . 3.890 3.454 2.764 3.912 0.022 3 0 "[ . 1 . 2]" 1
1153 1 42 LEU QD 1 88 VAL MG2 . . 3.170 2.209 1.742 2.720 . 0 0 "[ . 1 . 2]" 1
1154 1 42 LEU QD 1 89 GLY H . . 5.440 4.940 4.148 5.366 . 0 0 "[ . 1 . 2]" 1
1155 1 42 LEU MD1 1 43 ASN HD21 . . 4.960 3.264 1.828 4.739 . 0 0 "[ . 1 . 2]" 1
1156 1 42 LEU MD1 1 43 ASN HD22 . . 4.960 3.395 2.309 4.800 . 0 0 "[ . 1 . 2]" 1
1157 1 42 LEU MD2 1 43 ASN HD21 . . 4.960 3.564 1.773 4.783 . 0 0 "[ . 1 . 2]" 1
1158 1 42 LEU MD2 1 43 ASN HD22 . . 4.960 3.802 2.015 4.718 . 0 0 "[ . 1 . 2]" 1
1159 1 42 LEU HG 1 43 ASN H . . 4.430 3.467 2.887 4.462 0.032 12 0 "[ . 1 . 2]" 1
1160 1 42 LEU HG 1 43 ASN HD21 . . 4.880 2.839 1.897 4.405 . 0 0 "[ . 1 . 2]" 1
1161 1 42 LEU HG 1 43 ASN QD . . 4.190 2.558 1.836 3.958 . 0 0 "[ . 1 . 2]" 1
1162 1 42 LEU HG 1 43 ASN HD22 . . 4.880 3.474 2.254 4.850 . 0 0 "[ . 1 . 2]" 1
1163 1 43 ASN H 1 44 GLY H . . 3.510 2.696 2.478 2.946 . 0 0 "[ . 1 . 2]" 1
1164 1 43 ASN H 1 45 GLU H . . 4.980 4.226 3.868 4.512 . 0 0 "[ . 1 . 2]" 1
1165 1 43 ASN H 1 86 ALA MB . . 4.570 3.536 3.144 3.975 . 0 0 "[ . 1 . 2]" 1
1166 1 43 ASN H 1 87 LEU H . . 3.810 2.202 1.799 2.570 . 0 0 "[ . 1 . 2]" 1
1167 1 43 ASN H 1 87 LEU HB2 . . 4.500 3.554 3.142 3.886 . 0 0 "[ . 1 . 2]" 1
1168 1 43 ASN H 1 87 LEU HB3 . . 4.500 2.636 2.170 2.932 . 0 0 "[ . 1 . 2]" 1
1169 1 43 ASN H 1 87 LEU MD2 . . 5.500 4.964 4.714 5.137 . 0 0 "[ . 1 . 2]" 1
1170 1 43 ASN H 1 87 LEU HG . . 5.280 4.998 4.525 5.285 0.005 4 0 "[ . 1 . 2]" 1
1171 1 43 ASN H 1 88 VAL HA . . 4.390 3.911 3.471 4.370 . 0 0 "[ . 1 . 2]" 1
1172 1 43 ASN HA 1 44 GLY H . . 3.260 2.821 2.700 2.965 . 0 0 "[ . 1 . 2]" 1
1173 1 43 ASN HA 1 45 GLU H . . 4.790 4.259 4.084 4.538 . 0 0 "[ . 1 . 2]" 1
1174 1 43 ASN HA 1 87 LEU H . . 4.180 2.218 1.897 2.816 . 0 0 "[ . 1 . 2]" 1
1175 1 43 ASN HA 1 87 LEU HB2 . . 3.960 2.598 2.120 2.842 . 0 0 "[ . 1 . 2]" 1
1176 1 43 ASN HA 1 87 LEU HB3 . . 3.960 2.646 2.214 2.996 . 0 0 "[ . 1 . 2]" 1
1177 1 43 ASN HA 1 87 LEU MD1 . . 5.130 4.633 4.299 4.937 . 0 0 "[ . 1 . 2]" 1
1178 1 43 ASN HA 1 87 LEU MD2 . . 4.660 4.448 4.091 4.657 . 0 0 "[ . 1 . 2]" 1
1179 1 43 ASN QB 1 43 ASN QD . . 2.980 2.183 2.063 2.621 . 0 0 "[ . 1 . 2]" 1
1180 1 43 ASN HB2 1 44 GLY H . . 4.720 4.257 4.114 4.438 . 0 0 "[ . 1 . 2]" 1
1181 1 43 ASN HB2 1 45 GLU H . . 4.820 3.612 3.202 4.292 . 0 0 "[ . 1 . 2]" 1
1182 1 43 ASN HB3 1 44 GLY H . . 4.720 4.439 4.297 4.657 . 0 0 "[ . 1 . 2]" 1
1183 1 43 ASN HB3 1 45 GLU H . . 4.820 4.224 3.751 4.833 0.013 7 0 "[ . 1 . 2]" 1
1184 1 43 ASN QD 1 86 ALA HA . . 3.650 2.914 1.994 3.655 0.005 12 0 "[ . 1 . 2]" 1
1185 1 43 ASN QD 1 86 ALA MB . . 3.340 2.148 1.741 2.492 . 0 0 "[ . 1 . 2]" 1
1186 1 43 ASN QD 1 87 LEU H . . 4.160 3.404 1.812 4.055 . 0 0 "[ . 1 . 2]" 1
1187 1 43 ASN HD21 1 86 ALA MB . . 3.960 2.981 2.066 3.618 . 0 0 "[ . 1 . 2]" 1
1188 1 43 ASN HD22 1 86 ALA MB . . 3.960 2.344 1.825 3.959 . 0 0 "[ . 1 . 2]" 1
1189 1 44 GLY H 1 45 GLU H . . 3.560 2.846 2.537 3.072 . 0 0 "[ . 1 . 2]" 1
1190 1 44 GLY H 1 87 LEU H . . 4.820 4.119 3.792 4.428 . 0 0 "[ . 1 . 2]" 1
1191 1 44 GLY H 1 87 LEU HB2 . . 4.590 3.632 3.487 3.797 . 0 0 "[ . 1 . 2]" 1
1192 1 44 GLY H 1 87 LEU HB3 . . 4.590 2.256 2.051 2.498 . 0 0 "[ . 1 . 2]" 1
1193 1 44 GLY H 1 87 LEU MD2 . . 4.980 4.887 4.603 4.985 0.005 3 0 "[ . 1 . 2]" 1
1194 1 44 GLY H 1 87 LEU HG . . 4.660 3.873 3.396 4.097 . 0 0 "[ . 1 . 2]" 1
1195 1 45 GLU H 1 45 GLU HB2 . . 3.620 2.862 2.187 3.626 0.006 9 0 "[ . 1 . 2]" 1
1196 1 45 GLU H 1 45 GLU QB . . 2.980 2.268 2.165 2.550 . 0 0 "[ . 1 . 2]" 1
1197 1 45 GLU H 1 45 GLU HB3 . . 3.620 2.941 2.261 3.576 . 0 0 "[ . 1 . 2]" 1
1198 1 45 GLU H 1 45 GLU HG2 . . 4.390 3.540 2.436 4.471 0.081 18 0 "[ . 1 . 2]" 1
1199 1 45 GLU H 1 45 GLU QG . . 3.560 3.036 2.292 3.693 0.133 18 0 "[ . 1 . 2]" 1
1200 1 45 GLU H 1 45 GLU HG3 . . 4.390 3.697 2.792 4.414 0.024 1 0 "[ . 1 . 2]" 1
1201 1 45 GLU H 1 46 GLU H . . 4.870 4.549 4.451 4.623 . 0 0 "[ . 1 . 2]" 1
1202 1 45 GLU HA 1 45 GLU HG2 . . 3.960 3.246 2.467 3.993 0.033 18 0 "[ . 1 . 2]" 1
1203 1 45 GLU HA 1 45 GLU QG . . 3.440 2.751 2.276 3.339 . 0 0 "[ . 1 . 2]" 1
1204 1 45 GLU HA 1 45 GLU HG3 . . 3.960 3.117 2.390 3.730 . 0 0 "[ . 1 . 2]" 1
1205 1 45 GLU HA 1 46 GLU H . . 2.910 2.470 2.250 2.589 . 0 0 "[ . 1 . 2]" 1
1206 1 45 GLU HA 1 46 GLU QB . . 4.720 4.055 3.986 4.112 . 0 0 "[ . 1 . 2]" 1
1207 1 45 GLU QB 1 45 GLU QG . . 2.360 2.056 1.997 2.086 . 0 0 "[ . 1 . 2]" 1
1208 1 45 GLU QB 1 46 GLU H . . 3.550 2.519 2.096 3.411 . 0 0 "[ . 1 . 2]" 1
1209 1 45 GLU HB2 1 46 GLU H . . 4.200 3.289 2.142 3.888 . 0 0 "[ . 1 . 2]" 1
1210 1 45 GLU HB3 1 46 GLU H . . 4.200 3.098 2.113 4.190 . 0 0 "[ . 1 . 2]" 1
1211 1 45 GLU HG2 1 46 GLU H . . 4.480 3.701 3.253 4.495 0.015 6 0 "[ . 1 . 2]" 1
1212 1 45 GLU HG3 1 46 GLU H . . 4.480 3.366 2.017 4.473 . 0 0 "[ . 1 . 2]" 1
1213 1 46 GLU H 1 46 GLU HB2 . . 3.230 2.910 2.693 3.235 0.005 3 0 "[ . 1 . 2]" 1
1214 1 46 GLU H 1 46 GLU QB . . 2.830 2.365 2.270 2.460 . 0 0 "[ . 1 . 2]" 1
1215 1 46 GLU H 1 46 GLU HB3 . . 3.230 2.516 2.378 2.692 . 0 0 "[ . 1 . 2]" 1
1216 1 46 GLU H 1 46 GLU QG . . 4.320 4.033 3.834 4.147 . 0 0 "[ . 1 . 2]" 1
1217 1 46 GLU H 1 47 LEU H . . 4.720 4.496 4.316 4.569 . 0 0 "[ . 1 . 2]" 1
1218 1 46 GLU HA 1 46 GLU QG . . 3.550 2.474 2.297 2.675 . 0 0 "[ . 1 . 2]" 1
1219 1 46 GLU HA 1 47 LEU H . . 3.070 2.239 2.139 2.347 . 0 0 "[ . 1 . 2]" 1
1220 1 46 GLU HA 1 47 LEU HG . . 4.690 3.926 3.640 4.380 . 0 0 "[ . 1 . 2]" 1
1221 1 46 GLU QB 1 47 LEU H . . 4.060 3.566 3.357 3.911 . 0 0 "[ . 1 . 2]" 1
1222 1 46 GLU HB2 1 47 LEU H . . 4.790 4.036 3.684 4.424 . 0 0 "[ . 1 . 2]" 1
1223 1 46 GLU HB3 1 47 LEU H . . 4.790 3.983 3.663 4.358 . 0 0 "[ . 1 . 2]" 1
1224 1 46 GLU QG 1 47 LEU H . . 3.610 2.355 1.962 3.187 . 0 0 "[ . 1 . 2]" 1
1225 1 47 LEU H 1 47 LEU HB2 . . 3.740 2.407 2.279 2.520 . 0 0 "[ . 1 . 2]" 1
1226 1 47 LEU H 1 47 LEU MD1 . . 4.000 3.648 3.229 3.950 . 0 0 "[ . 1 . 2]" 1
1227 1 47 LEU H 1 47 LEU MD2 . . 4.060 3.920 3.756 4.062 0.002 3 0 "[ . 1 . 2]" 1
1228 1 47 LEU H 1 47 LEU HG . . 3.600 2.815 2.370 3.073 . 0 0 "[ . 1 . 2]" 1
1229 1 47 LEU H 1 48 LYS H . . 4.740 4.487 4.262 4.626 . 0 0 "[ . 1 . 2]" 1
1230 1 47 LEU HA 1 47 LEU MD1 . . 4.150 3.889 3.842 3.943 . 0 0 "[ . 1 . 2]" 1
1231 1 47 LEU HA 1 47 LEU MD2 . . 3.040 2.235 1.966 2.571 . 0 0 "[ . 1 . 2]" 1
1232 1 47 LEU HA 1 47 LEU HG . . 4.260 2.881 2.698 3.062 . 0 0 "[ . 1 . 2]" 1
1233 1 47 LEU HA 1 48 LYS H . . 2.970 2.269 2.139 2.484 . 0 0 "[ . 1 . 2]" 1
1234 1 47 LEU HB2 1 47 LEU MD1 . . 3.330 2.182 2.030 2.345 . 0 0 "[ . 1 . 2]" 1
1235 1 47 LEU HB2 1 48 LYS H . . 5.110 4.005 3.516 4.530 . 0 0 "[ . 1 . 2]" 1
1236 1 47 LEU HB2 1 63 TYR QE . . 5.500 5.422 5.106 5.506 0.006 18 0 "[ . 1 . 2]" 1
1237 1 47 LEU HB3 1 47 LEU MD1 . . 3.230 2.500 2.357 2.617 . 0 0 "[ . 1 . 2]" 1
1238 1 47 LEU HB3 1 48 LYS H . . 4.170 2.933 2.227 3.879 . 0 0 "[ . 1 . 2]" 1
1239 1 47 LEU HB3 1 63 TYR QE . . 4.380 4.122 3.840 4.384 0.004 6 0 "[ . 1 . 2]" 1
1240 1 47 LEU HB3 1 65 ILE MD . . 4.430 3.614 3.062 4.214 . 0 0 "[ . 1 . 2]" 1
1241 1 47 LEU MD1 1 61 LEU QD . . 4.700 4.299 3.223 4.696 . 0 0 "[ . 1 . 2]" 1
1242 1 47 LEU MD1 1 63 TYR QD . . 4.260 3.983 3.609 4.264 0.004 7 0 "[ . 1 . 2]" 1
1243 1 47 LEU MD1 1 63 TYR QE . . 4.630 4.458 4.055 4.632 0.002 11 0 "[ . 1 . 2]" 1
1244 1 47 LEU MD1 1 65 ILE MD . . 3.810 3.319 2.917 3.807 . 0 0 "[ . 1 . 2]" 1
1245 1 47 LEU MD1 1 74 LEU QD . . 3.650 2.259 1.892 2.587 . 0 0 "[ . 1 . 2]" 1
1246 1 47 LEU MD2 1 48 LYS H . . 3.870 3.392 2.896 3.821 . 0 0 "[ . 1 . 2]" 1
1247 1 47 LEU MD2 1 61 LEU QD . . 4.140 3.291 2.245 3.789 . 0 0 "[ . 1 . 2]" 1
1248 1 47 LEU MD2 1 63 TYR QB . . 5.340 4.541 3.861 5.173 . 0 0 "[ . 1 . 2]" 1
1249 1 47 LEU MD2 1 63 TYR QD . . 4.550 4.194 3.023 4.554 0.004 20 0 "[ . 1 . 2]" 1
1250 1 47 LEU MD2 1 63 TYR QE . . 4.190 4.061 3.177 4.193 0.003 15 0 "[ . 1 . 2]" 1
1251 1 47 LEU HG 1 48 LYS H . . 4.960 4.834 4.602 4.976 0.016 3 0 "[ . 1 . 2]" 1
1252 1 48 LYS H 1 48 LYS HB2 . . 3.830 2.854 2.281 3.833 0.003 16 0 "[ . 1 . 2]" 1
1253 1 48 LYS H 1 48 LYS QB . . 3.170 2.573 2.255 3.102 . 0 0 "[ . 1 . 2]" 1
1254 1 48 LYS H 1 48 LYS HB3 . . 3.830 3.474 2.330 3.778 . 0 0 "[ . 1 . 2]" 1
1255 1 48 LYS H 1 48 LYS QD . . 4.490 3.832 1.875 4.489 . 0 0 "[ . 1 . 2]" 1
1256 1 48 LYS H 1 48 LYS HG2 . . 4.180 3.186 2.079 4.089 . 0 0 "[ . 1 . 2]" 1
1257 1 48 LYS H 1 48 LYS QG . . 3.470 2.663 2.062 3.341 . 0 0 "[ . 1 . 2]" 1
1258 1 48 LYS H 1 48 LYS HG3 . . 4.180 3.304 2.234 4.181 0.001 15 0 "[ . 1 . 2]" 1
1259 1 48 LYS HA 1 48 LYS QD . . 4.510 3.534 1.997 4.318 . 0 0 "[ . 1 . 2]" 1
1260 1 48 LYS HA 1 48 LYS QG . . 3.640 2.761 2.173 3.453 . 0 0 "[ . 1 . 2]" 1
1261 1 48 LYS QE 1 48 LYS QG . . 3.430 2.253 2.090 2.607 . 0 0 "[ . 1 . 2]" 1
1262 1 49 SER HA 1 63 TYR QE . . 4.480 3.200 2.114 4.466 . 0 0 "[ . 1 . 2]" 1
1263 1 49 SER HA 1 65 ILE MD . . 3.530 3.145 2.371 3.533 0.003 4 0 "[ . 1 . 2]" 1
1264 1 49 SER QB 1 65 ILE MG . . 4.370 4.027 3.277 4.371 0.001 10 0 "[ . 1 . 2]" 1
1265 1 49 SER HB2 1 50 ASN H . . 5.100 4.063 2.196 4.646 . 0 0 "[ . 1 . 2]" 1
1266 1 49 SER HB2 1 65 ILE MD . . 4.360 3.252 2.026 4.271 . 0 0 "[ . 1 . 2]" 1
1267 1 49 SER HB3 1 50 ASN H . . 5.100 4.035 2.229 4.655 . 0 0 "[ . 1 . 2]" 1
1268 1 49 SER HB3 1 65 ILE MD . . 4.360 3.451 2.300 4.289 . 0 0 "[ . 1 . 2]" 1
1269 1 50 ASN QB 1 51 GLU H . . 4.410 2.731 1.952 3.992 . 0 0 "[ . 1 . 2]" 1
1270 1 51 GLU H 1 51 GLU QB . . 3.410 2.643 2.279 3.291 . 0 0 "[ . 1 . 2]" 1
1271 1 51 GLU H 1 51 GLU QG . . 4.270 2.575 2.062 3.731 . 0 0 "[ . 1 . 2]" 1
1272 1 51 GLU H 1 52 PRO HD2 . . 4.800 4.752 4.541 4.811 0.011 16 0 "[ . 1 . 2]" 1
1273 1 51 GLU HA 1 51 GLU QG . . 3.690 2.974 2.194 3.340 . 0 0 "[ . 1 . 2]" 1
1274 1 51 GLU HA 1 52 PRO HD2 . . 2.830 2.194 2.005 2.407 . 0 0 "[ . 1 . 2]" 1
1275 1 51 GLU QB 1 52 PRO HD2 . . 2.990 2.494 1.997 2.895 . 0 0 "[ . 1 . 2]" 1
1276 1 51 GLU QG 1 52 PRO HD2 . . 4.430 3.833 2.723 4.276 . 0 0 "[ . 1 . 2]" 1
1277 1 52 PRO HA 1 53 GLU H . . 3.180 2.639 2.161 3.291 0.111 10 0 "[ . 1 . 2]" 1
1278 1 52 PRO HD2 1 53 GLU H . . 5.500 4.659 3.047 5.514 0.014 11 0 "[ . 1 . 2]" 1
1279 1 52 PRO QG 1 57 GLU HA . . 5.350 4.941 4.332 5.323 . 0 0 "[ . 1 . 2]" 1
1280 1 52 PRO QG 1 58 PRO HA . . 3.820 2.439 1.885 3.426 . 0 0 "[ . 1 . 2]" 1
1281 1 52 PRO HG2 1 58 PRO HA . . 4.340 3.146 2.001 4.324 . 0 0 "[ . 1 . 2]" 1
1282 1 52 PRO HG3 1 58 PRO HA . . 4.340 2.861 2.002 3.690 . 0 0 "[ . 1 . 2]" 1
1283 1 53 GLU H 1 53 GLU HB2 . . 4.100 3.000 2.217 4.060 . 0 0 "[ . 1 . 2]" 1
1284 1 53 GLU H 1 53 GLU QB . . 3.480 2.613 2.153 3.346 . 0 0 "[ . 1 . 2]" 1
1285 1 53 GLU H 1 53 GLU HB3 . . 4.100 3.123 2.427 4.087 . 0 0 "[ . 1 . 2]" 1
1286 1 53 GLU H 1 53 GLU HG2 . . 4.800 3.790 2.492 4.812 0.012 18 0 "[ . 1 . 2]" 1
1287 1 53 GLU H 1 53 GLU QG . . 4.120 3.341 2.372 4.117 . 0 0 "[ . 1 . 2]" 1
1288 1 53 GLU H 1 53 GLU HG3 . . 4.800 3.867 2.578 4.781 . 0 0 "[ . 1 . 2]" 1
1289 1 53 GLU HA 1 53 GLU HG2 . . 4.000 3.202 2.232 3.929 . 0 0 "[ . 1 . 2]" 1
1290 1 53 GLU HA 1 53 GLU HG3 . . 4.000 3.180 2.385 3.789 . 0 0 "[ . 1 . 2]" 1
1291 1 53 GLU HA 1 54 GLY H . . 3.570 2.561 2.148 3.569 . 0 0 "[ . 1 . 2]" 1
1292 1 53 GLU QB 1 54 GLY H . . 4.110 3.310 2.026 4.046 . 0 0 "[ . 1 . 2]" 1
1293 1 53 GLU QB 1 54 GLY QA . . 4.310 3.984 3.474 4.311 0.001 14 0 "[ . 1 . 2]" 1
1294 1 53 GLU HB2 1 54 GLY H . . 4.780 3.962 2.240 4.616 . 0 0 "[ . 1 . 2]" 1
1295 1 53 GLU HB3 1 54 GLY H . . 4.780 3.805 2.037 4.637 . 0 0 "[ . 1 . 2]" 1
1296 1 54 GLY QA 1 55 GLN QB . . 4.760 4.153 3.793 4.565 . 0 0 "[ . 1 . 2]" 1
1297 1 55 GLN H 1 55 GLN HB2 . . 4.030 2.836 2.293 3.723 . 0 0 "[ . 1 . 2]" 1
1298 1 55 GLN H 1 55 GLN QB . . 3.400 2.494 2.205 3.053 . 0 0 "[ . 1 . 2]" 1
1299 1 55 GLN H 1 55 GLN HB3 . . 4.030 3.169 2.424 3.660 . 0 0 "[ . 1 . 2]" 1
1300 1 55 GLN H 1 55 GLN QG . . 3.990 2.852 1.843 3.999 0.009 14 0 "[ . 1 . 2]" 1
1301 1 55 GLN HA 1 55 GLN QG . . 3.620 2.786 2.252 3.463 . 0 0 "[ . 1 . 2]" 1
1302 1 55 GLN QB 1 56 VAL H . . 3.990 2.717 2.110 3.970 . 0 0 "[ . 1 . 2]" 1
1303 1 55 GLN QB 1 56 VAL QG . . 5.280 3.171 2.443 4.200 . 0 0 "[ . 1 . 2]" 1
1304 1 55 GLN QG 1 56 VAL H . . 4.230 3.574 1.908 4.240 0.010 11 0 "[ . 1 . 2]" 1
1305 1 55 GLN QG 1 56 VAL QG . . 5.120 3.646 2.078 4.891 . 0 0 "[ . 1 . 2]" 1
1306 1 56 VAL H 1 56 VAL HB . . 4.050 2.827 2.349 3.860 . 0 0 "[ . 1 . 2]" 1
1307 1 56 VAL H 1 56 VAL MG1 . . 4.090 3.463 2.060 3.890 . 0 0 "[ . 1 . 2]" 1
1308 1 56 VAL H 1 56 VAL QG . . 3.140 2.349 1.872 2.910 . 0 0 "[ . 1 . 2]" 1
1309 1 56 VAL H 1 56 VAL MG2 . . 4.090 2.547 1.913 3.985 . 0 0 "[ . 1 . 2]" 1
1310 1 56 VAL H 1 57 GLU H . . 4.700 4.490 4.307 4.598 . 0 0 "[ . 1 . 2]" 1
1311 1 56 VAL HA 1 56 VAL MG1 . . 3.610 2.452 2.246 3.204 . 0 0 "[ . 1 . 2]" 1
1312 1 56 VAL HA 1 56 VAL QG . . 3.080 2.129 2.040 2.294 . 0 0 "[ . 1 . 2]" 1
1313 1 56 VAL HA 1 56 VAL MG2 . . 3.610 2.474 2.217 3.202 . 0 0 "[ . 1 . 2]" 1
1314 1 56 VAL HA 1 57 GLU H . . 3.000 2.260 2.142 2.649 . 0 0 "[ . 1 . 2]" 1
1315 1 56 VAL HB 1 57 GLU H . . 4.260 3.701 1.906 4.267 0.007 7 0 "[ . 1 . 2]" 1
1316 1 56 VAL HB 1 60 ALA MB . . 5.500 4.621 2.931 5.441 . 0 0 "[ . 1 . 2]" 1
1317 1 56 VAL QG 1 57 GLU H . . 3.560 2.399 1.937 3.203 . 0 0 "[ . 1 . 2]" 1
1318 1 56 VAL QG 1 57 GLU QB . . 4.560 3.951 3.285 4.580 0.020 3 0 "[ . 1 . 2]" 1
1319 1 56 VAL QG 1 57 GLU QG . . 4.350 3.455 2.722 4.189 . 0 0 "[ . 1 . 2]" 1
1320 1 56 VAL QG 1 60 ALA MB . . 3.570 2.591 2.113 3.536 . 0 0 "[ . 1 . 2]" 1
1321 1 56 VAL MG1 1 57 GLU H . . 4.050 2.686 1.942 3.903 . 0 0 "[ . 1 . 2]" 1
1322 1 56 VAL MG2 1 57 GLU H . . 4.050 3.613 2.050 4.039 . 0 0 "[ . 1 . 2]" 1
1323 1 57 GLU H 1 57 GLU HB2 . . 4.080 3.269 2.612 3.723 . 0 0 "[ . 1 . 2]" 1
1324 1 57 GLU H 1 57 GLU QB . . 3.380 2.639 2.406 3.010 . 0 0 "[ . 1 . 2]" 1
1325 1 57 GLU H 1 57 GLU HB3 . . 4.080 3.068 2.445 3.689 . 0 0 "[ . 1 . 2]" 1
1326 1 57 GLU H 1 57 GLU QG . . 3.920 2.159 1.862 2.822 . 0 0 "[ . 1 . 2]" 1
1327 1 57 GLU H 1 58 PRO HD2 . . 5.500 4.784 4.741 4.830 . 0 0 "[ . 1 . 2]" 1
1328 1 57 GLU H 1 58 PRO QD . . 4.670 4.355 4.324 4.378 . 0 0 "[ . 1 . 2]" 1
1329 1 57 GLU H 1 58 PRO HD3 . . 5.500 5.013 4.938 5.054 . 0 0 "[ . 1 . 2]" 1
1330 1 57 GLU H 1 60 ALA MB . . 4.070 3.138 2.451 3.649 . 0 0 "[ . 1 . 2]" 1
1331 1 57 GLU HA 1 58 PRO HD2 . . 3.230 2.366 2.236 2.405 . 0 0 "[ . 1 . 2]" 1
1332 1 57 GLU HA 1 58 PRO QD . . 2.680 2.070 2.000 2.092 . 0 0 "[ . 1 . 2]" 1
1333 1 57 GLU HA 1 58 PRO HD3 . . 3.230 2.287 2.255 2.300 . 0 0 "[ . 1 . 2]" 1
1334 1 57 GLU HA 1 58 PRO QG . . 4.220 3.980 3.903 4.004 . 0 0 "[ . 1 . 2]" 1
1335 1 57 GLU HA 1 60 ALA MB . . 5.020 4.701 4.127 4.988 . 0 0 "[ . 1 . 2]" 1
1336 1 57 GLU QB 1 58 PRO QD . . 3.160 2.015 1.925 2.305 . 0 0 "[ . 1 . 2]" 1
1337 1 57 GLU HB2 1 58 PRO HD2 . . 4.410 2.613 1.999 3.466 . 0 0 "[ . 1 . 2]" 1
1338 1 57 GLU HB2 1 58 PRO HD3 . . 4.410 3.928 3.432 4.586 0.176 9 0 "[ . 1 . 2]" 1
1339 1 57 GLU HB2 1 60 ALA MB . . 4.580 3.567 1.946 4.545 . 0 0 "[ . 1 . 2]" 1
1340 1 57 GLU HB3 1 58 PRO HD2 . . 4.410 2.806 1.948 3.457 . 0 0 "[ . 1 . 2]" 1
1341 1 57 GLU HB3 1 58 PRO HD3 . . 4.410 3.957 3.380 4.412 0.002 16 0 "[ . 1 . 2]" 1
1342 1 57 GLU HB3 1 60 ALA MB . . 4.580 4.210 3.396 4.578 . 0 0 "[ . 1 . 2]" 1
1343 1 57 GLU QG 1 58 PRO QD . . 4.930 3.602 3.249 3.872 . 0 0 "[ . 1 . 2]" 1
1344 1 57 GLU QG 1 59 GLY H . . 5.310 3.704 2.095 5.166 . 0 0 "[ . 1 . 2]" 1
1345 1 57 GLU QG 1 60 ALA MB . . 4.060 2.546 1.821 3.801 . 0 0 "[ . 1 . 2]" 1
1346 1 58 PRO HA 1 59 GLY H . . 3.550 3.093 2.155 3.509 . 0 0 "[ . 1 . 2]" 1
1347 1 58 PRO HA 1 60 ALA H . . 4.790 4.242 3.476 4.659 . 0 0 "[ . 1 . 2]" 1
1348 1 58 PRO HB2 1 59 GLY QA . . 4.660 4.079 3.821 4.261 . 0 0 "[ . 1 . 2]" 1
1349 1 59 GLY QA 1 60 ALA MB . . 4.940 4.157 4.042 4.228 . 0 0 "[ . 1 . 2]" 1
1350 1 60 ALA H 1 60 ALA MB . . 2.870 2.235 2.045 2.529 . 0 0 "[ . 1 . 2]" 1
1351 1 60 ALA H 1 61 LEU H . . 4.060 2.681 1.976 3.140 . 0 0 "[ . 1 . 2]" 1
1352 1 60 ALA HA 1 61 LEU QB . . 5.150 4.837 4.565 5.021 . 0 0 "[ . 1 . 2]" 1
1353 1 60 ALA MB 1 61 LEU H . . 3.450 2.249 1.907 2.718 . 0 0 "[ . 1 . 2]" 1
1354 1 60 ALA MB 1 61 LEU QB . . 3.830 3.204 3.026 3.350 . 0 0 "[ . 1 . 2]" 1
1355 1 61 LEU H 1 61 LEU QB . . 3.020 2.605 2.274 2.971 . 0 0 "[ . 1 . 2]" 1
1356 1 61 LEU H 1 61 LEU MD1 . . 4.550 4.334 4.027 4.546 . 0 0 "[ . 1 . 2]" 1
1357 1 61 LEU H 1 61 LEU MD2 . . 4.550 3.302 1.885 4.486 . 0 0 "[ . 1 . 2]" 1
1358 1 61 LEU H 1 61 LEU HG . . 4.730 3.841 2.739 4.606 . 0 0 "[ . 1 . 2]" 1
1359 1 61 LEU HA 1 61 LEU MD1 . . 4.110 3.245 2.043 4.055 . 0 0 "[ . 1 . 2]" 1
1360 1 61 LEU HA 1 61 LEU QD . . 3.420 2.914 2.036 3.424 0.004 20 0 "[ . 1 . 2]" 1
1361 1 61 LEU HA 1 61 LEU MD2 . . 4.110 3.778 3.418 4.123 0.013 8 0 "[ . 1 . 2]" 1
1362 1 61 LEU HA 1 61 LEU HG . . 3.880 3.286 2.582 3.672 . 0 0 "[ . 1 . 2]" 1
1363 1 61 LEU HA 1 62 ARG H . . 2.920 2.266 2.140 2.410 . 0 0 "[ . 1 . 2]" 1
1364 1 61 LEU HA 1 62 ARG QD . . 5.410 4.505 2.873 5.412 0.002 13 0 "[ . 1 . 2]" 1
1365 1 61 LEU HA 1 62 ARG QG . . 4.910 4.134 3.157 4.914 0.004 15 0 "[ . 1 . 2]" 1
1366 1 61 LEU QB 1 61 LEU MD1 . . 3.040 2.094 1.966 2.340 . 0 0 "[ . 1 . 2]" 1
1367 1 61 LEU QB 1 61 LEU MD2 . . 3.040 2.083 1.963 2.207 . 0 0 "[ . 1 . 2]" 1
1368 1 61 LEU QB 1 62 ARG H . . 4.180 3.177 2.520 3.801 . 0 0 "[ . 1 . 2]" 1
1369 1 61 LEU QB 1 63 TYR QD . . 4.560 4.106 3.133 4.557 . 0 0 "[ . 1 . 2]" 1
1370 1 61 LEU QB 1 63 TYR QE . . 5.480 4.780 3.424 5.473 . 0 0 "[ . 1 . 2]" 1
1371 1 61 LEU QD 1 62 ARG H . . 3.740 2.937 1.974 3.723 . 0 0 "[ . 1 . 2]" 1
1372 1 61 LEU QD 1 63 TYR H . . 4.940 4.061 2.924 4.482 . 0 0 "[ . 1 . 2]" 1
1373 1 61 LEU QD 1 63 TYR QB . . 4.330 2.777 1.978 3.166 . 0 0 "[ . 1 . 2]" 1
1374 1 61 LEU QD 1 63 TYR QD . . 3.810 2.623 1.798 3.501 . 0 0 "[ . 1 . 2]" 1
1375 1 61 LEU QD 1 63 TYR QE . . 4.670 3.251 2.287 4.294 . 0 0 "[ . 1 . 2]" 1
1376 1 61 LEU MD1 1 62 ARG H . . 4.640 3.190 1.977 4.479 . 0 0 "[ . 1 . 2]" 1
1377 1 61 LEU MD1 1 63 TYR QD . . 4.540 3.520 1.978 4.387 . 0 0 "[ . 1 . 2]" 1
1378 1 61 LEU MD2 1 62 ARG H . . 4.640 4.219 2.669 4.640 . 0 0 "[ . 1 . 2]" 1
1379 1 61 LEU MD2 1 63 TYR QD . . 4.540 3.045 1.800 3.989 . 0 0 "[ . 1 . 2]" 1
1380 1 61 LEU HG 1 62 ARG H . . 4.560 3.089 2.266 3.948 . 0 0 "[ . 1 . 2]" 1
1381 1 61 LEU HG 1 63 TYR QD . . 4.190 2.772 2.061 4.252 0.062 19 0 "[ . 1 . 2]" 1
1382 1 62 ARG H 1 62 ARG HB2 . . 4.100 2.583 2.307 3.674 . 0 0 "[ . 1 . 2]" 1
1383 1 62 ARG H 1 62 ARG QB . . 3.470 2.489 2.280 3.174 . 0 0 "[ . 1 . 2]" 1
1384 1 62 ARG H 1 62 ARG HB3 . . 4.100 3.614 3.122 3.767 . 0 0 "[ . 1 . 2]" 1
1385 1 62 ARG H 1 62 ARG HG2 . . 4.630 3.794 1.891 4.616 . 0 0 "[ . 1 . 2]" 1
1386 1 62 ARG H 1 62 ARG QG . . 3.910 3.153 1.875 3.913 0.003 15 0 "[ . 1 . 2]" 1
1387 1 62 ARG H 1 62 ARG HG3 . . 4.630 3.686 2.861 4.376 . 0 0 "[ . 1 . 2]" 1
1388 1 62 ARG H 1 63 TYR H . . 4.640 4.305 4.180 4.525 . 0 0 "[ . 1 . 2]" 1
1389 1 62 ARG H 1 77 HIS HB2 . . 5.020 4.862 4.294 5.027 0.007 18 0 "[ . 1 . 2]" 1
1390 1 62 ARG HA 1 62 ARG QD . . 4.160 3.237 1.994 4.284 0.124 12 0 "[ . 1 . 2]" 1
1391 1 62 ARG HA 1 62 ARG HG2 . . 4.060 3.001 2.479 3.628 . 0 0 "[ . 1 . 2]" 1
1392 1 62 ARG HA 1 62 ARG QG . . 3.470 2.518 2.206 3.430 . 0 0 "[ . 1 . 2]" 1
1393 1 62 ARG HA 1 62 ARG HG3 . . 4.060 3.021 2.230 4.227 0.167 20 0 "[ . 1 . 2]" 1
1394 1 62 ARG HA 1 63 TYR H . . 2.960 2.145 2.140 2.172 . 0 0 "[ . 1 . 2]" 1
1395 1 62 ARG HA 1 63 TYR QD . . 4.930 3.179 2.852 4.484 . 0 0 "[ . 1 . 2]" 1
1396 1 62 ARG QB 1 62 ARG QD . . 3.400 2.265 2.019 2.644 . 0 0 "[ . 1 . 2]" 1
1397 1 62 ARG QB 1 63 TYR H . . 3.820 3.344 3.061 3.513 . 0 0 "[ . 1 . 2]" 1
1398 1 62 ARG QB 1 77 HIS HB3 . . 4.520 4.296 3.572 4.534 0.014 20 0 "[ . 1 . 2]" 1
1399 1 62 ARG HB2 1 63 TYR H . . 4.630 4.286 3.245 4.512 . 0 0 "[ . 1 . 2]" 1
1400 1 62 ARG HB2 1 77 HIS HB2 . . 4.480 3.001 2.639 3.362 . 0 0 "[ . 1 . 2]" 1
1401 1 62 ARG HB2 1 77 HIS HD2 . . 4.830 3.580 2.628 4.177 . 0 0 "[ . 1 . 2]" 1
1402 1 62 ARG HB3 1 63 TYR H . . 4.630 3.546 3.153 4.078 . 0 0 "[ . 1 . 2]" 1
1403 1 62 ARG HB3 1 77 HIS HB2 . . 4.480 3.385 2.074 4.404 . 0 0 "[ . 1 . 2]" 1
1404 1 62 ARG HB3 1 77 HIS HD2 . . 4.830 2.994 2.182 4.794 . 0 0 "[ . 1 . 2]" 1
1405 1 62 ARG QG 1 63 TYR H . . 4.770 4.187 3.873 4.567 . 0 0 "[ . 1 . 2]" 1
1406 1 62 ARG HG2 1 63 TYR H . . 5.500 4.725 4.226 5.320 . 0 0 "[ . 1 . 2]" 1
1407 1 62 ARG HG3 1 63 TYR H . . 5.500 4.841 4.062 5.510 0.010 10 0 "[ . 1 . 2]" 1
1408 1 63 TYR H 1 63 TYR QD . . 3.760 2.283 1.897 3.433 . 0 0 "[ . 1 . 2]" 1
1409 1 63 TYR H 1 64 ARG H . . 4.640 4.403 4.347 4.473 . 0 0 "[ . 1 . 2]" 1
1410 1 63 TYR HA 1 63 TYR QD . . 4.220 3.665 3.638 3.736 . 0 0 "[ . 1 . 2]" 1
1411 1 63 TYR HA 1 64 ARG H . . 3.070 2.364 2.172 2.595 . 0 0 "[ . 1 . 2]" 1
1412 1 63 TYR HA 1 74 LEU QD . . 4.660 4.074 3.556 4.628 . 0 0 "[ . 1 . 2]" 1
1413 1 63 TYR HA 1 76 LEU HA . . 3.980 2.534 2.340 3.112 . 0 0 "[ . 1 . 2]" 1
1414 1 63 TYR HA 1 76 LEU MD2 . . 4.170 3.138 2.484 3.920 . 0 0 "[ . 1 . 2]" 1
1415 1 63 TYR HA 1 77 HIS H . . 3.690 3.112 2.593 3.646 . 0 0 "[ . 1 . 2]" 1
1416 1 63 TYR HA 1 77 HIS HD2 . . 4.380 2.829 2.042 3.737 . 0 0 "[ . 1 . 2]" 1
1417 1 63 TYR QB 1 64 ARG H . . 3.400 2.535 2.066 3.054 . 0 0 "[ . 1 . 2]" 1
1418 1 63 TYR QB 1 64 ARG HA . . 5.210 4.312 4.138 4.439 . 0 0 "[ . 1 . 2]" 1
1419 1 63 TYR QB 1 74 LEU QD . . 3.440 2.366 1.926 3.169 . 0 0 "[ . 1 . 2]" 1
1420 1 63 TYR QB 1 76 LEU HA . . 4.530 3.121 2.566 3.656 . 0 0 "[ . 1 . 2]" 1
1421 1 63 TYR QB 1 76 LEU MD2 . . 3.340 1.949 1.768 2.409 . 0 0 "[ . 1 . 2]" 1
1422 1 63 TYR HB2 1 76 LEU MD2 . . 3.850 2.392 1.962 2.984 . 0 0 "[ . 1 . 2]" 1
1423 1 63 TYR HB3 1 76 LEU MD2 . . 3.850 2.106 1.937 2.779 . 0 0 "[ . 1 . 2]" 1
1424 1 63 TYR QD 1 64 ARG H . . 4.500 3.751 2.678 4.256 . 0 0 "[ . 1 . 2]" 1
1425 1 63 TYR QD 1 64 ARG HA . . 4.820 4.145 2.856 4.578 . 0 0 "[ . 1 . 2]" 1
1426 1 63 TYR QD 1 65 ILE H . . 4.680 4.198 2.854 4.684 0.004 18 0 "[ . 1 . 2]" 1
1427 1 63 TYR QD 1 65 ILE MD . . 3.470 2.679 2.128 3.309 . 0 0 "[ . 1 . 2]" 1
1428 1 63 TYR QD 1 65 ILE HG12 . . 4.490 3.680 3.391 4.175 . 0 0 "[ . 1 . 2]" 1
1429 1 63 TYR QD 1 65 ILE QG . . 3.670 2.445 2.030 2.800 . 0 0 "[ . 1 . 2]" 1
1430 1 63 TYR QD 1 65 ILE HG13 . . 4.490 2.486 2.045 2.861 . 0 0 "[ . 1 . 2]" 1
1431 1 63 TYR QD 1 65 ILE MG . . 5.300 5.028 4.788 5.301 0.001 13 0 "[ . 1 . 2]" 1
1432 1 63 TYR QD 1 74 LEU QD . . 3.610 2.698 2.124 3.057 . 0 0 "[ . 1 . 2]" 1
1433 1 63 TYR QD 1 76 LEU HA . . 5.420 5.066 4.666 5.425 0.005 6 0 "[ . 1 . 2]" 1
1434 1 63 TYR QD 1 76 LEU MD2 . . 4.080 3.507 3.153 3.758 . 0 0 "[ . 1 . 2]" 1
1435 1 63 TYR QE 1 65 ILE MD . . 3.270 2.285 1.971 2.847 . 0 0 "[ . 1 . 2]" 1
1436 1 63 TYR QE 1 65 ILE QG . . 4.280 3.421 2.062 4.236 . 0 0 "[ . 1 . 2]" 1
1437 1 63 TYR QE 1 74 LEU QD . . 4.740 4.183 3.661 4.580 . 0 0 "[ . 1 . 2]" 1
1438 1 64 ARG H 1 64 ARG HB2 . . 3.960 3.113 2.858 3.333 . 0 0 "[ . 1 . 2]" 1
1439 1 64 ARG H 1 64 ARG HB3 . . 3.960 2.817 2.553 3.042 . 0 0 "[ . 1 . 2]" 1
1440 1 64 ARG H 1 64 ARG QG . . 4.890 4.131 4.003 4.246 . 0 0 "[ . 1 . 2]" 1
1441 1 64 ARG H 1 74 LEU MD1 . . 5.500 3.119 2.586 4.157 . 0 0 "[ . 1 . 2]" 1
1442 1 64 ARG H 1 74 LEU QD . . 4.020 3.090 2.580 3.918 . 0 0 "[ . 1 . 2]" 1
1443 1 64 ARG H 1 74 LEU MD2 . . 5.500 5.397 4.791 5.505 0.005 16 0 "[ . 1 . 2]" 1
1444 1 64 ARG H 1 74 LEU HG . . 5.500 4.463 3.612 5.099 . 0 0 "[ . 1 . 2]" 1
1445 1 64 ARG H 1 75 ILE H . . 3.670 2.914 2.595 3.228 . 0 0 "[ . 1 . 2]" 1
1446 1 64 ARG H 1 75 ILE HB . . 3.850 3.425 3.104 3.669 . 0 0 "[ . 1 . 2]" 1
1447 1 64 ARG H 1 75 ILE MD . . 4.300 3.936 3.658 4.302 0.002 1 0 "[ . 1 . 2]" 1
1448 1 64 ARG H 1 75 ILE MG . . 4.820 4.411 4.167 4.786 . 0 0 "[ . 1 . 2]" 1
1449 1 64 ARG H 1 76 LEU MD2 . . 4.400 3.859 3.437 4.211 . 0 0 "[ . 1 . 2]" 1
1450 1 64 ARG H 1 76 LEU HG . . 5.500 4.791 4.414 5.185 . 0 0 "[ . 1 . 2]" 1
1451 1 64 ARG H 1 77 HIS H . . 4.970 4.753 4.425 4.973 0.003 11 0 "[ . 1 . 2]" 1
1452 1 64 ARG HA 1 65 ILE H . . 3.080 2.152 2.140 2.193 . 0 0 "[ . 1 . 2]" 1
1453 1 64 ARG HA 1 74 LEU QD . . 5.080 4.479 4.186 5.096 0.016 17 0 "[ . 1 . 2]" 1
1454 1 64 ARG QB 1 64 ARG QD . . 3.260 2.213 2.065 2.499 . 0 0 "[ . 1 . 2]" 1
1455 1 64 ARG QB 1 65 ILE H . . 4.290 3.813 3.618 3.912 . 0 0 "[ . 1 . 2]" 1
1456 1 64 ARG QB 1 75 ILE H . . 4.430 3.008 2.663 3.282 . 0 0 "[ . 1 . 2]" 1
1457 1 64 ARG QB 1 75 ILE HB . . 3.460 2.439 1.975 2.702 . 0 0 "[ . 1 . 2]" 1
1458 1 64 ARG QB 1 75 ILE MG . . 3.980 3.778 3.498 3.990 0.010 17 0 "[ . 1 . 2]" 1
1459 1 64 ARG QB 1 77 HIS HE1 . . 4.260 4.011 3.454 4.266 0.006 5 0 "[ . 1 . 2]" 1
1460 1 64 ARG HB2 1 65 ILE H . . 4.980 4.363 4.183 4.532 . 0 0 "[ . 1 . 2]" 1
1461 1 64 ARG HB2 1 75 ILE H . . 5.050 4.543 4.167 4.752 . 0 0 "[ . 1 . 2]" 1
1462 1 64 ARG HB2 1 75 ILE HB . . 3.980 3.605 3.150 3.754 . 0 0 "[ . 1 . 2]" 1
1463 1 64 ARG HB2 1 75 ILE MD . . 4.380 3.771 3.337 4.264 . 0 0 "[ . 1 . 2]" 1
1464 1 64 ARG HB2 1 75 ILE MG . . 4.850 4.608 4.148 4.831 . 0 0 "[ . 1 . 2]" 1
1465 1 64 ARG HB2 1 77 HIS HE1 . . 4.890 4.474 3.780 4.812 . 0 0 "[ . 1 . 2]" 1
1466 1 64 ARG HB3 1 65 ILE H . . 4.980 4.212 3.917 4.429 . 0 0 "[ . 1 . 2]" 1
1467 1 64 ARG HB3 1 75 ILE H . . 5.050 3.053 2.686 3.349 . 0 0 "[ . 1 . 2]" 1
1468 1 64 ARG HB3 1 75 ILE HB . . 3.980 2.484 1.990 2.787 . 0 0 "[ . 1 . 2]" 1
1469 1 64 ARG HB3 1 75 ILE MD . . 4.380 2.309 1.952 2.829 . 0 0 "[ . 1 . 2]" 1
1470 1 64 ARG HB3 1 75 ILE MG . . 4.850 4.019 3.664 4.317 . 0 0 "[ . 1 . 2]" 1
1471 1 64 ARG HB3 1 77 HIS HE1 . . 4.890 4.540 3.994 4.826 . 0 0 "[ . 1 . 2]" 1
1472 1 64 ARG QD 1 66 GLU QG . . 4.940 2.992 2.056 4.463 . 0 0 "[ . 1 . 2]" 1
1473 1 64 ARG QD 1 75 ILE MD . . 3.750 2.816 2.025 3.777 0.027 18 0 "[ . 1 . 2]" 1
1474 1 64 ARG QD 1 77 HIS HE1 . . 5.220 4.346 3.695 5.233 0.013 18 0 "[ . 1 . 2]" 1
1475 1 64 ARG HD2 1 75 ILE MD . . 4.500 3.222 2.044 4.504 0.004 7 0 "[ . 1 . 2]" 1
1476 1 64 ARG HD3 1 75 ILE MD . . 4.500 3.597 2.406 4.407 . 0 0 "[ . 1 . 2]" 1
1477 1 64 ARG QG 1 66 GLU QG . . 3.870 2.563 2.127 3.759 . 0 0 "[ . 1 . 2]" 1
1478 1 64 ARG QG 1 75 ILE MD . . 4.420 3.197 1.915 4.108 . 0 0 "[ . 1 . 2]" 1
1479 1 64 ARG HG2 1 65 ILE H . . 4.450 3.350 2.715 4.459 0.009 18 0 "[ . 1 . 2]" 1
1480 1 64 ARG HG3 1 65 ILE H . . 4.450 3.528 2.817 4.346 . 0 0 "[ . 1 . 2]" 1
1481 1 65 ILE H 1 65 ILE HB . . 3.330 2.549 2.430 2.671 . 0 0 "[ . 1 . 2]" 1
1482 1 65 ILE H 1 65 ILE MD . . 4.370 3.791 3.446 4.085 . 0 0 "[ . 1 . 2]" 1
1483 1 65 ILE H 1 65 ILE HG12 . . 4.480 3.995 3.873 4.187 . 0 0 "[ . 1 . 2]" 1
1484 1 65 ILE H 1 65 ILE QG . . 3.840 2.695 2.489 2.974 . 0 0 "[ . 1 . 2]" 1
1485 1 65 ILE H 1 65 ILE HG13 . . 4.480 2.741 2.519 3.042 . 0 0 "[ . 1 . 2]" 1
1486 1 65 ILE H 1 65 ILE MG . . 4.390 3.805 3.751 3.859 . 0 0 "[ . 1 . 2]" 1
1487 1 65 ILE HA 1 65 ILE MD . . 4.390 3.850 3.804 3.882 . 0 0 "[ . 1 . 2]" 1
1488 1 65 ILE HA 1 65 ILE HG12 . . 3.920 2.610 2.480 2.802 . 0 0 "[ . 1 . 2]" 1
1489 1 65 ILE HA 1 65 ILE QG . . 3.390 2.412 2.350 2.452 . 0 0 "[ . 1 . 2]" 1
1490 1 65 ILE HA 1 65 ILE HG13 . . 3.920 2.859 2.675 2.982 . 0 0 "[ . 1 . 2]" 1
1491 1 65 ILE HA 1 65 ILE MG . . 3.330 2.419 2.330 2.492 . 0 0 "[ . 1 . 2]" 1
1492 1 65 ILE HA 1 66 GLU H . . 3.000 2.156 2.140 2.203 . 0 0 "[ . 1 . 2]" 1
1493 1 65 ILE HA 1 74 LEU QD . . 3.870 3.079 2.445 3.414 . 0 0 "[ . 1 . 2]" 1
1494 1 65 ILE HA 1 75 ILE H . . 4.120 4.009 3.655 4.137 0.017 3 0 "[ . 1 . 2]" 1
1495 1 65 ILE HB 1 65 ILE MD . . 3.140 2.289 2.149 2.412 . 0 0 "[ . 1 . 2]" 1
1496 1 65 ILE MD 1 65 ILE MG . . 2.860 2.173 1.944 2.460 . 0 0 "[ . 1 . 2]" 1
1497 1 65 ILE MD 1 74 LEU QD . . 3.440 2.795 2.290 3.097 . 0 0 "[ . 1 . 2]" 1
1498 1 65 ILE QG 1 65 ILE MG . . 3.170 2.213 2.092 2.322 . 0 0 "[ . 1 . 2]" 1
1499 1 65 ILE QG 1 66 GLU H . . 5.340 4.202 4.060 4.298 . 0 0 "[ . 1 . 2]" 1
1500 1 65 ILE QG 1 74 LEU HA . . 4.120 3.476 3.098 4.059 . 0 0 "[ . 1 . 2]" 1
1501 1 65 ILE QG 1 74 LEU QD . . 3.280 1.936 1.740 2.246 . 0 0 "[ . 1 . 2]" 1
1502 1 65 ILE HG12 1 65 ILE MG . . 3.700 2.259 2.125 2.384 . 0 0 "[ . 1 . 2]" 1
1503 1 65 ILE HG12 1 74 LEU HA . . 4.790 3.714 3.239 4.479 . 0 0 "[ . 1 . 2]" 1
1504 1 65 ILE HG13 1 65 ILE MG . . 3.700 3.181 3.137 3.200 . 0 0 "[ . 1 . 2]" 1
1505 1 65 ILE HG13 1 74 LEU HA . . 4.790 4.227 3.614 4.701 . 0 0 "[ . 1 . 2]" 1
1506 1 65 ILE MG 1 66 GLU H . . 3.510 2.847 2.496 3.161 . 0 0 "[ . 1 . 2]" 1
1507 1 65 ILE MG 1 66 GLU HA . . 4.350 3.680 3.432 4.025 . 0 0 "[ . 1 . 2]" 1
1508 1 65 ILE MG 1 73 ARG H . . 4.510 3.958 3.430 4.515 0.005 17 0 "[ . 1 . 2]" 1
1509 1 65 ILE MG 1 74 LEU QD . . 4.120 3.464 3.235 3.711 . 0 0 "[ . 1 . 2]" 1
1510 1 66 GLU H 1 66 GLU QB . . 3.590 2.538 2.200 3.095 . 0 0 "[ . 1 . 2]" 1
1511 1 66 GLU H 1 66 GLU HG2 . . 4.500 3.044 2.494 3.769 . 0 0 "[ . 1 . 2]" 1
1512 1 66 GLU H 1 66 GLU QG . . 3.850 2.783 2.217 3.289 . 0 0 "[ . 1 . 2]" 1
1513 1 66 GLU H 1 66 GLU HG3 . . 4.500 3.625 2.378 4.334 . 0 0 "[ . 1 . 2]" 1
1514 1 66 GLU H 1 73 ARG H . . 3.850 3.108 2.703 3.632 . 0 0 "[ . 1 . 2]" 1
1515 1 66 GLU H 1 73 ARG QB . . 4.180 3.393 2.849 4.099 . 0 0 "[ . 1 . 2]" 1
1516 1 66 GLU H 1 73 ARG HG2 . . 5.500 4.943 4.261 5.493 . 0 0 "[ . 1 . 2]" 1
1517 1 66 GLU H 1 74 LEU QD . . 5.240 4.640 3.924 4.988 . 0 0 "[ . 1 . 2]" 1
1518 1 66 GLU H 1 75 ILE MD . . 4.320 3.987 3.536 4.314 . 0 0 "[ . 1 . 2]" 1
1519 1 66 GLU HA 1 66 GLU HG2 . . 3.980 2.807 2.379 3.847 . 0 0 "[ . 1 . 2]" 1
1520 1 66 GLU HA 1 66 GLU QG . . 3.310 2.708 2.326 3.325 0.015 14 0 "[ . 1 . 2]" 1
1521 1 66 GLU HA 1 66 GLU HG3 . . 3.980 3.662 3.286 3.824 . 0 0 "[ . 1 . 2]" 1
1522 1 66 GLU HA 1 67 GLN H . . 3.300 2.150 2.139 2.186 . 0 0 "[ . 1 . 2]" 1
1523 1 66 GLU QB 1 73 ARG H . . 4.540 3.517 2.593 4.527 . 0 0 "[ . 1 . 2]" 1
1524 1 66 GLU QB 1 73 ARG QB . . 4.210 2.473 1.995 3.765 . 0 0 "[ . 1 . 2]" 1
1525 1 66 GLU QB 1 75 ILE MD . . 4.300 3.843 3.393 4.254 . 0 0 "[ . 1 . 2]" 1
1526 1 66 GLU QG 1 73 ARG QB . . 5.330 3.414 1.912 4.224 . 0 0 "[ . 1 . 2]" 1
1527 1 66 GLU QG 1 73 ARG QD . . 5.340 4.087 3.311 4.827 . 0 0 "[ . 1 . 2]" 1
1528 1 66 GLU QG 1 75 ILE MD . . 3.590 3.119 2.544 3.571 . 0 0 "[ . 1 . 2]" 1
1529 1 66 GLU HG2 1 75 ILE MD . . 4.160 3.752 2.806 4.161 0.001 1 0 "[ . 1 . 2]" 1
1530 1 66 GLU HG3 1 75 ILE MD . . 4.160 3.477 2.578 3.998 . 0 0 "[ . 1 . 2]" 1
1531 1 67 GLN H 1 67 GLN HB2 . . 4.150 3.053 2.790 3.306 . 0 0 "[ . 1 . 2]" 1
1532 1 67 GLN H 1 67 GLN HB3 . . 3.950 2.657 2.445 2.858 . 0 0 "[ . 1 . 2]" 1
1533 1 67 GLN HA 1 67 GLN HG2 . . 3.660 2.791 2.351 3.720 0.060 13 0 "[ . 1 . 2]" 1
1534 1 67 GLN HA 1 67 GLN HG3 . . 3.660 3.255 2.717 3.666 0.006 17 0 "[ . 1 . 2]" 1
1535 1 67 GLN HA 1 68 LYS H . . 3.020 2.162 2.138 2.224 . 0 0 "[ . 1 . 2]" 1
1536 1 67 GLN HA 1 72 HIS HA . . 3.440 2.664 2.341 2.899 . 0 0 "[ . 1 . 2]" 1
1537 1 67 GLN HA 1 73 ARG H . . 4.220 3.993 3.598 4.218 . 0 0 "[ . 1 . 2]" 1
1538 1 67 GLN HB2 1 68 LYS H . . 4.580 4.425 4.181 4.532 . 0 0 "[ . 1 . 2]" 1
1539 1 67 GLN HB2 1 72 HIS HA . . 4.610 4.303 3.763 4.624 0.014 17 0 "[ . 1 . 2]" 1
1540 1 67 GLN HB2 1 72 HIS HE1 . . 5.160 4.120 3.462 5.006 . 0 0 "[ . 1 . 2]" 1
1541 1 67 GLN HB2 1 73 ARG H . . 5.330 5.023 4.693 5.271 . 0 0 "[ . 1 . 2]" 1
1542 1 67 GLN QE 1 69 GLY H . . 4.810 3.084 2.029 4.218 . 0 0 "[ . 1 . 2]" 1
1543 1 67 GLN QE 1 72 HIS HE1 . . 4.430 3.570 2.797 4.235 . 0 0 "[ . 1 . 2]" 1
1544 1 67 GLN HE21 1 69 GLY H . . 5.500 3.368 2.335 5.112 . 0 0 "[ . 1 . 2]" 1
1545 1 67 GLN HE21 1 72 HIS HE1 . . 5.140 3.887 2.826 4.855 . 0 0 "[ . 1 . 2]" 1
1546 1 67 GLN HE22 1 69 GLY H . . 5.500 3.970 2.229 5.302 . 0 0 "[ . 1 . 2]" 1
1547 1 67 GLN HE22 1 72 HIS HE1 . . 5.140 4.485 3.791 5.172 0.032 14 0 "[ . 1 . 2]" 1
1548 1 67 GLN QG 1 68 LYS H . . 3.700 3.327 2.830 3.698 . 0 0 "[ . 1 . 2]" 1
1549 1 67 GLN QG 1 72 HIS HE1 . . 4.540 2.517 1.916 3.933 . 0 0 "[ . 1 . 2]" 1
1550 1 68 LYS H 1 68 LYS HB2 . . 3.880 2.753 2.500 3.902 0.022 14 0 "[ . 1 . 2]" 1
1551 1 68 LYS H 1 68 LYS HB3 . . 3.880 3.432 2.748 3.755 . 0 0 "[ . 1 . 2]" 1
1552 1 68 LYS H 1 68 LYS QD . . 5.070 4.366 2.825 5.070 0.000 7 0 "[ . 1 . 2]" 1
1553 1 68 LYS H 1 68 LYS QG . . 4.220 3.661 2.274 4.232 0.012 7 0 "[ . 1 . 2]" 1
1554 1 68 LYS H 1 71 GLN H . . 4.300 3.379 2.984 3.644 . 0 0 "[ . 1 . 2]" 1
1555 1 68 LYS H 1 72 HIS HA . . 4.120 3.533 3.038 4.110 . 0 0 "[ . 1 . 2]" 1
1556 1 68 LYS HA 1 68 LYS QD . . 4.300 3.360 1.990 4.312 0.012 14 0 "[ . 1 . 2]" 1
1557 1 68 LYS HA 1 68 LYS QG . . 3.670 2.410 2.138 3.342 . 0 0 "[ . 1 . 2]" 1
1558 1 68 LYS QB 1 71 GLN H . . 4.760 4.314 3.911 4.798 0.038 14 0 "[ . 1 . 2]" 1
1559 1 68 LYS HB2 1 71 GLN H . . 5.500 4.963 4.233 5.586 0.086 11 0 "[ . 1 . 2]" 1
1560 1 68 LYS HB3 1 71 GLN H . . 5.500 4.903 4.101 5.562 0.062 14 0 "[ . 1 . 2]" 1
1561 1 69 GLY QA 1 70 LEU H . . 2.950 2.147 2.109 2.362 . 0 0 "[ . 1 . 2]" 1
1562 1 69 GLY QA 1 70 LEU HG . . 4.400 3.527 3.130 3.952 . 0 0 "[ . 1 . 2]" 1
1563 1 69 GLY QA 1 71 GLN H . . 3.840 3.598 3.408 3.817 . 0 0 "[ . 1 . 2]" 1
1564 1 69 GLY HA2 1 70 LEU H . . 3.530 2.788 2.152 3.374 . 0 0 "[ . 1 . 2]" 1
1565 1 69 GLY HA2 1 71 GLN H . . 4.690 4.148 3.814 4.560 . 0 0 "[ . 1 . 2]" 1
1566 1 69 GLY HA3 1 70 LEU H . . 3.530 2.714 2.137 3.545 0.015 7 0 "[ . 1 . 2]" 1
1567 1 69 GLY HA3 1 71 GLN H . . 4.690 3.998 3.598 4.348 . 0 0 "[ . 1 . 2]" 1
1568 1 70 LEU H 1 70 LEU HB2 . . 4.050 3.712 3.477 3.966 . 0 0 "[ . 1 . 2]" 1
1569 1 70 LEU H 1 70 LEU QB . . 3.540 2.971 2.861 3.065 . 0 0 "[ . 1 . 2]" 1
1570 1 70 LEU H 1 70 LEU HB3 . . 4.050 3.137 3.026 3.305 . 0 0 "[ . 1 . 2]" 1
1571 1 70 LEU H 1 70 LEU MD1 . . 4.540 3.974 3.548 4.453 . 0 0 "[ . 1 . 2]" 1
1572 1 70 LEU H 1 70 LEU MD2 . . 3.890 2.247 1.968 2.499 . 0 0 "[ . 1 . 2]" 1
1573 1 70 LEU H 1 70 LEU HG . . 3.390 2.562 1.877 3.356 . 0 0 "[ . 1 . 2]" 1
1574 1 70 LEU H 1 71 GLN H . . 3.060 3.022 2.937 3.070 0.010 5 0 "[ . 1 . 2]" 1
1575 1 70 LEU HA 1 70 LEU MD1 . . 4.300 4.124 4.107 4.135 . 0 0 "[ . 1 . 2]" 1
1576 1 70 LEU HA 1 70 LEU MD2 . . 3.320 3.289 3.216 3.355 0.035 5 0 "[ . 1 . 2]" 1
1577 1 70 LEU QB 1 70 LEU MD1 . . 3.070 2.032 1.925 2.085 . 0 0 "[ . 1 . 2]" 1
1578 1 70 LEU QB 1 70 LEU MD2 . . 2.950 2.094 2.028 2.172 . 0 0 "[ . 1 . 2]" 1
1579 1 70 LEU QB 1 71 GLN H . . 4.180 3.977 3.957 3.995 . 0 0 "[ . 1 . 2]" 1
1580 1 70 LEU HB2 1 70 LEU MD2 . . 3.520 3.125 3.113 3.140 . 0 0 "[ . 1 . 2]" 1
1581 1 70 LEU HB2 1 71 GLN H . . 4.870 4.320 4.282 4.351 . 0 0 "[ . 1 . 2]" 1
1582 1 70 LEU HB3 1 70 LEU MD2 . . 3.520 2.128 2.055 2.214 . 0 0 "[ . 1 . 2]" 1
1583 1 70 LEU HB3 1 71 GLN H . . 4.870 4.652 4.648 4.655 . 0 0 "[ . 1 . 2]" 1
1584 1 70 LEU MD1 1 71 GLN H . . 5.360 5.116 4.995 5.227 . 0 0 "[ . 1 . 2]" 1
1585 1 70 LEU MD2 1 71 GLN H . . 4.740 4.537 4.435 4.619 . 0 0 "[ . 1 . 2]" 1
1586 1 70 LEU HG 1 71 GLN H . . 4.370 4.086 3.941 4.261 . 0 0 "[ . 1 . 2]" 1
1587 1 71 GLN H 1 71 GLN HB2 . . 3.190 3.026 2.829 3.168 . 0 0 "[ . 1 . 2]" 1
1588 1 71 GLN H 1 71 GLN QB . . 2.780 2.679 2.567 2.769 . 0 0 "[ . 1 . 2]" 1
1589 1 71 GLN H 1 71 GLN HB3 . . 3.190 2.994 2.811 3.093 . 0 0 "[ . 1 . 2]" 1
1590 1 71 GLN H 1 71 GLN HG2 . . 4.860 4.721 4.572 4.798 . 0 0 "[ . 1 . 2]" 1
1591 1 71 GLN H 1 71 GLN HG3 . . 4.860 4.666 4.580 4.781 . 0 0 "[ . 1 . 2]" 1
1592 1 71 GLN H 1 72 HIS H . . 4.750 3.909 3.782 4.099 . 0 0 "[ . 1 . 2]" 1
1593 1 71 GLN HA 1 71 GLN HG2 . . 3.920 3.002 2.891 3.180 . 0 0 "[ . 1 . 2]" 1
1594 1 71 GLN HA 1 71 GLN QG . . 3.270 2.265 2.201 2.382 . 0 0 "[ . 1 . 2]" 1
1595 1 71 GLN HA 1 71 GLN HG3 . . 3.920 2.345 2.265 2.518 . 0 0 "[ . 1 . 2]" 1
1596 1 71 GLN HA 1 72 HIS H . . 2.870 2.170 2.140 2.226 . 0 0 "[ . 1 . 2]" 1
1597 1 71 GLN HA 1 72 HIS HD2 . . 4.660 3.588 3.178 4.444 . 0 0 "[ . 1 . 2]" 1
1598 1 71 GLN QB 1 71 GLN QE . . 3.840 3.089 2.044 3.570 . 0 0 "[ . 1 . 2]" 1
1599 1 71 GLN QB 1 72 HIS H . . 4.020 3.911 3.797 3.997 . 0 0 "[ . 1 . 2]" 1
1600 1 71 GLN HB2 1 72 HIS H . . 4.640 4.555 4.504 4.602 . 0 0 "[ . 1 . 2]" 1
1601 1 71 GLN HB3 1 72 HIS H . . 4.640 4.261 4.089 4.413 . 0 0 "[ . 1 . 2]" 1
1602 1 71 GLN HG2 1 72 HIS H . . 4.010 3.790 3.555 3.994 . 0 0 "[ . 1 . 2]" 1
1603 1 71 GLN HG3 1 72 HIS H . . 4.010 3.813 3.561 4.015 0.005 11 0 "[ . 1 . 2]" 1
1604 1 72 HIS H 1 72 HIS HB2 . . 3.390 2.579 2.431 2.658 . 0 0 "[ . 1 . 2]" 1
1605 1 72 HIS H 1 72 HIS HB3 . . 4.060 3.728 3.650 3.791 . 0 0 "[ . 1 . 2]" 1
1606 1 72 HIS H 1 72 HIS HD2 . . 3.810 2.702 2.425 3.280 . 0 0 "[ . 1 . 2]" 1
1607 1 72 HIS HA 1 73 ARG H . . 2.870 2.264 2.150 2.387 . 0 0 "[ . 1 . 2]" 1
1608 1 72 HIS HB2 1 73 ARG H . . 4.460 3.891 3.569 4.170 . 0 0 "[ . 1 . 2]" 1
1609 1 72 HIS HB3 1 73 ARG H . . 4.020 2.836 2.498 3.322 . 0 0 "[ . 1 . 2]" 1
1610 1 72 HIS HD2 1 90 PHE HZ . . 5.300 4.909 4.175 5.317 0.017 14 0 "[ . 1 . 2]" 1
1611 1 72 HIS HE1 1 90 PHE HZ . . 5.070 3.316 2.498 3.962 . 0 0 "[ . 1 . 2]" 1
1612 1 73 ARG H 1 73 ARG QB . . 3.450 2.765 2.563 2.882 . 0 0 "[ . 1 . 2]" 1
1613 1 73 ARG H 1 73 ARG QD . . 5.500 5.078 4.701 5.443 . 0 0 "[ . 1 . 2]" 1
1614 1 73 ARG H 1 73 ARG HG2 . . 4.800 4.651 4.384 4.779 . 0 0 "[ . 1 . 2]" 1
1615 1 73 ARG H 1 74 LEU H . . 4.690 4.208 4.014 4.424 . 0 0 "[ . 1 . 2]" 1
1616 1 73 ARG H 1 74 LEU HB2 . . 5.500 4.867 4.573 5.147 . 0 0 "[ . 1 . 2]" 1
1617 1 73 ARG HA 1 73 ARG QD . . 4.560 4.034 3.882 4.248 . 0 0 "[ . 1 . 2]" 1
1618 1 73 ARG HA 1 74 LEU H . . 2.980 2.187 2.141 2.275 . 0 0 "[ . 1 . 2]" 1
1619 1 73 ARG QB 1 73 ARG QD . . 3.190 2.216 2.095 2.438 . 0 0 "[ . 1 . 2]" 1
1620 1 73 ARG QB 1 73 ARG HE . . 4.710 3.214 1.942 4.183 . 0 0 "[ . 1 . 2]" 1
1621 1 73 ARG QB 1 74 LEU H . . 3.790 3.634 3.489 3.818 0.028 20 0 "[ . 1 . 2]" 1
1622 1 73 ARG QD 1 75 ILE H . . 5.500 5.273 4.993 5.468 . 0 0 "[ . 1 . 2]" 1
1623 1 73 ARG QD 1 75 ILE MD . . 3.660 2.369 1.927 3.206 . 0 0 "[ . 1 . 2]" 1
1624 1 73 ARG QD 1 75 ILE HG13 . . 4.410 3.576 3.064 4.055 . 0 0 "[ . 1 . 2]" 1
1625 1 73 ARG HE 1 75 ILE MD . . 5.080 3.325 1.955 4.566 . 0 0 "[ . 1 . 2]" 1
1626 1 73 ARG HG2 1 74 LEU H . . 4.910 2.842 2.458 3.216 . 0 0 "[ . 1 . 2]" 1
1627 1 73 ARG HG2 1 75 ILE H . . 5.500 4.149 3.549 4.843 . 0 0 "[ . 1 . 2]" 1
1628 1 73 ARG HG2 1 75 ILE MD . . 3.990 2.237 1.770 2.985 . 0 0 "[ . 1 . 2]" 1
1629 1 74 LEU H 1 74 LEU HB2 . . 4.070 3.284 3.030 3.451 . 0 0 "[ . 1 . 2]" 1
1630 1 74 LEU H 1 74 LEU HB3 . . 3.750 2.587 2.356 2.793 . 0 0 "[ . 1 . 2]" 1
1631 1 74 LEU H 1 74 LEU MD1 . . 5.120 4.466 4.362 4.689 . 0 0 "[ . 1 . 2]" 1
1632 1 74 LEU H 1 74 LEU MD2 . . 5.120 4.344 3.571 4.643 . 0 0 "[ . 1 . 2]" 1
1633 1 74 LEU H 1 75 ILE H . . 4.960 4.049 3.826 4.319 . 0 0 "[ . 1 . 2]" 1
1634 1 74 LEU H 1 75 ILE MD . . 4.470 3.727 3.308 4.123 . 0 0 "[ . 1 . 2]" 1
1635 1 74 LEU HA 1 74 LEU QD . . 3.360 2.347 2.108 3.217 . 0 0 "[ . 1 . 2]" 1
1636 1 74 LEU HA 1 75 ILE H . . 3.110 2.163 2.139 2.216 . 0 0 "[ . 1 . 2]" 1
1637 1 74 LEU HA 1 75 ILE HB . . 5.130 4.746 4.600 4.898 . 0 0 "[ . 1 . 2]" 1
1638 1 74 LEU HA 1 75 ILE MD . . 4.060 3.082 2.767 3.296 . 0 0 "[ . 1 . 2]" 1
1639 1 74 LEU HB2 1 75 ILE H . . 4.970 4.313 3.964 4.510 . 0 0 "[ . 1 . 2]" 1
1640 1 74 LEU QD 1 75 ILE H . . 3.490 3.078 2.467 3.439 . 0 0 "[ . 1 . 2]" 1
1641 1 74 LEU QD 1 76 LEU H . . 5.440 4.557 3.663 4.807 . 0 0 "[ . 1 . 2]" 1
1642 1 74 LEU QD 1 76 LEU HA . . 5.410 4.318 3.883 4.673 . 0 0 "[ . 1 . 2]" 1
1643 1 74 LEU QD 1 76 LEU HG . . 4.080 2.958 1.958 3.220 . 0 0 "[ . 1 . 2]" 1
1644 1 74 LEU QD 1 88 VAL MG1 . . 3.200 2.044 1.865 2.307 . 0 0 "[ . 1 . 2]" 1
1645 1 74 LEU QD 1 88 VAL MG2 . . 3.590 3.227 2.856 3.477 . 0 0 "[ . 1 . 2]" 1
1646 1 74 LEU MD1 1 76 LEU MD2 . . 3.270 2.398 1.986 3.003 . 0 0 "[ . 1 . 2]" 1
1647 1 74 LEU MD2 1 76 LEU MD2 . . 3.270 2.691 2.189 3.052 . 0 0 "[ . 1 . 2]" 1
1648 1 74 LEU HG 1 75 ILE H . . 4.220 3.566 2.644 3.866 . 0 0 "[ . 1 . 2]" 1
1649 1 74 LEU HG 1 76 LEU H . . 4.560 4.435 4.148 4.573 0.013 17 0 "[ . 1 . 2]" 1
1650 1 75 ILE H 1 75 ILE HB . . 3.540 2.618 2.535 2.720 . 0 0 "[ . 1 . 2]" 1
1651 1 75 ILE H 1 75 ILE MD . . 3.570 2.039 1.857 2.260 . 0 0 "[ . 1 . 2]" 1
1652 1 75 ILE H 1 75 ILE HG12 . . 4.760 4.070 3.828 4.344 . 0 0 "[ . 1 . 2]" 1
1653 1 75 ILE H 1 75 ILE HG13 . . 4.170 3.169 2.742 3.633 . 0 0 "[ . 1 . 2]" 1
1654 1 75 ILE H 1 75 ILE MG . . 4.120 3.828 3.803 3.886 . 0 0 "[ . 1 . 2]" 1
1655 1 75 ILE HB 1 75 ILE MD . . 3.650 2.181 2.074 2.304 . 0 0 "[ . 1 . 2]" 1
1656 1 75 ILE HB 1 77 HIS HE1 . . 4.990 3.505 3.069 3.950 . 0 0 "[ . 1 . 2]" 1
1657 1 75 ILE MD 1 75 ILE MG . . 3.240 3.135 3.104 3.177 . 0 0 "[ . 1 . 2]" 1
1658 1 75 ILE MD 1 77 HIS HE1 . . 4.880 4.333 3.920 4.733 . 0 0 "[ . 1 . 2]" 1
1659 1 75 ILE HG12 1 75 ILE MG . . 3.130 2.165 1.999 2.212 . 0 0 "[ . 1 . 2]" 1
1660 1 75 ILE HG12 1 76 LEU H . . 5.460 5.173 5.026 5.400 . 0 0 "[ . 1 . 2]" 1
1661 1 75 ILE HG13 1 75 ILE MG . . 3.360 2.669 2.631 2.724 . 0 0 "[ . 1 . 2]" 1
1662 1 75 ILE HG13 1 76 LEU H . . 4.610 4.455 4.232 4.632 0.022 12 0 "[ . 1 . 2]" 1
1663 1 75 ILE MG 1 76 LEU H . . 3.460 2.513 2.144 2.959 . 0 0 "[ . 1 . 2]" 1
1664 1 75 ILE MG 1 77 HIS H . . 4.780 3.464 3.277 3.704 . 0 0 "[ . 1 . 2]" 1
1665 1 75 ILE MG 1 77 HIS HD2 . . 4.840 3.938 3.497 4.324 . 0 0 "[ . 1 . 2]" 1
1666 1 75 ILE MG 1 77 HIS HE1 . . 4.140 2.343 1.982 2.756 . 0 0 "[ . 1 . 2]" 1
1667 1 76 LEU H 1 76 LEU HB2 . . 3.570 2.648 2.483 2.771 . 0 0 "[ . 1 . 2]" 1
1668 1 76 LEU H 1 76 LEU MD1 . . 3.830 3.606 3.341 3.832 0.002 20 0 "[ . 1 . 2]" 1
1669 1 76 LEU H 1 76 LEU MD2 . . 4.030 3.932 3.771 4.035 0.005 17 0 "[ . 1 . 2]" 1
1670 1 76 LEU H 1 76 LEU HG . . 3.780 2.720 2.518 3.018 . 0 0 "[ . 1 . 2]" 1
1671 1 76 LEU H 1 77 HIS H . . 5.200 4.018 3.908 4.117 . 0 0 "[ . 1 . 2]" 1
1672 1 76 LEU HA 1 76 LEU MD1 . . 3.990 3.957 3.892 3.981 . 0 0 "[ . 1 . 2]" 1
1673 1 76 LEU HA 1 76 LEU MD2 . . 3.280 2.413 2.114 2.625 . 0 0 "[ . 1 . 2]" 1
1674 1 76 LEU HA 1 76 LEU HG . . 4.240 2.996 2.921 3.087 . 0 0 "[ . 1 . 2]" 1
1675 1 76 LEU HA 1 77 HIS H . . 3.070 2.198 2.189 2.205 . 0 0 "[ . 1 . 2]" 1
1676 1 76 LEU HA 1 79 VAL MG1 . . 4.250 4.147 3.946 4.276 0.026 19 0 "[ . 1 . 2]" 1
1677 1 76 LEU HB2 1 76 LEU MD1 . . 3.240 2.155 2.016 2.291 . 0 0 "[ . 1 . 2]" 1
1678 1 76 LEU HB2 1 76 LEU MD2 . . 3.630 3.147 3.121 3.181 . 0 0 "[ . 1 . 2]" 1
1679 1 76 LEU HB2 1 79 VAL MG1 . . 3.210 2.341 2.155 2.637 . 0 0 "[ . 1 . 2]" 1
1680 1 76 LEU HB3 1 77 HIS H . . 4.330 3.873 3.843 3.885 . 0 0 "[ . 1 . 2]" 1
1681 1 76 LEU HB3 1 79 VAL MG1 . . 3.550 2.596 2.030 2.887 . 0 0 "[ . 1 . 2]" 1
1682 1 76 LEU MD2 1 77 HIS H . . 4.380 4.188 3.867 4.362 . 0 0 "[ . 1 . 2]" 1
1683 1 77 HIS H 1 77 HIS HB2 . . 3.340 2.842 2.774 2.897 . 0 0 "[ . 1 . 2]" 1
1684 1 77 HIS H 1 77 HIS HB3 . . 3.820 3.595 3.569 3.621 . 0 0 "[ . 1 . 2]" 1
1685 1 77 HIS H 1 77 HIS HD2 . . 4.600 2.156 1.924 2.643 . 0 0 "[ . 1 . 2]" 1
1686 1 77 HIS HA 1 78 ALA H . . 3.090 2.177 2.146 2.241 . 0 0 "[ . 1 . 2]" 1
1687 1 77 HIS HA 1 78 ALA HA . . 4.680 4.402 4.376 4.451 . 0 0 "[ . 1 . 2]" 1
1688 1 77 HIS HA 1 78 ALA MB . . 4.200 4.036 3.997 4.091 . 0 0 "[ . 1 . 2]" 1
1689 1 77 HIS HB2 1 78 ALA H . . 5.090 3.825 3.679 3.928 . 0 0 "[ . 1 . 2]" 1
1690 1 77 HIS HB2 1 78 ALA MB . . 4.710 3.288 3.246 3.337 . 0 0 "[ . 1 . 2]" 1
1691 1 77 HIS HB3 1 78 ALA H . . 4.200 3.247 2.968 3.456 . 0 0 "[ . 1 . 2]" 1
1692 1 77 HIS HB3 1 78 ALA MB . . 4.120 3.858 3.824 3.911 . 0 0 "[ . 1 . 2]" 1
1693 1 77 HIS HD2 1 78 ALA MB . . 5.500 5.476 5.392 5.506 0.006 17 0 "[ . 1 . 2]" 1
1694 1 78 ALA H 1 78 ALA MB . . 3.400 2.953 2.946 2.957 . 0 0 "[ . 1 . 2]" 1
1695 1 78 ALA H 1 79 VAL H . . 3.680 2.658 2.623 2.703 . 0 0 "[ . 1 . 2]" 1
1696 1 78 ALA HA 1 79 VAL H . . 2.980 2.626 2.621 2.653 . 0 0 "[ . 1 . 2]" 1
1697 1 78 ALA HA 1 79 VAL MG1 . . 4.880 4.516 4.181 4.695 . 0 0 "[ . 1 . 2]" 1
1698 1 78 ALA HA 1 79 VAL MG2 . . 4.260 3.978 3.755 4.137 . 0 0 "[ . 1 . 2]" 1
1699 1 78 ALA MB 1 79 VAL H . . 3.910 3.718 3.716 3.719 . 0 0 "[ . 1 . 2]" 1
1700 1 79 VAL H 1 79 VAL HB . . 3.940 3.623 3.606 3.659 . 0 0 "[ . 1 . 2]" 1
1701 1 79 VAL H 1 79 VAL MG1 . . 3.190 2.430 1.911 2.710 . 0 0 "[ . 1 . 2]" 1
1702 1 79 VAL H 1 79 VAL MG2 . . 2.760 1.991 1.859 2.415 . 0 0 "[ . 1 . 2]" 1
1703 1 79 VAL H 1 80 LYS H . . 4.960 4.508 4.301 4.631 . 0 0 "[ . 1 . 2]" 1
1704 1 79 VAL H 1 103 ILE MD . . 5.450 5.181 4.731 5.453 0.003 16 0 "[ . 1 . 2]" 1
1705 1 79 VAL HA 1 79 VAL MG1 . . 2.950 2.270 2.141 2.508 . 0 0 "[ . 1 . 2]" 1
1706 1 79 VAL HA 1 80 LYS H . . 2.930 2.215 2.139 2.599 . 0 0 "[ . 1 . 2]" 1
1707 1 79 VAL HA 1 80 LYS HA . . 5.240 4.392 4.359 4.485 . 0 0 "[ . 1 . 2]" 1
1708 1 79 VAL HA 1 80 LYS QD . . 4.120 3.390 2.879 4.122 0.002 10 0 "[ . 1 . 2]" 1
1709 1 79 VAL HA 1 80 LYS QG . . 4.810 4.244 3.220 4.823 0.013 7 0 "[ . 1 . 2]" 1
1710 1 79 VAL HA 1 103 ILE MD . . 4.320 3.986 3.116 4.324 0.004 8 0 "[ . 1 . 2]" 1
1711 1 79 VAL HB 1 80 LYS H . . 3.650 3.129 1.978 3.674 0.024 19 0 "[ . 1 . 2]" 1
1712 1 79 VAL HB 1 83 ASP QB . . 4.740 4.673 4.293 4.749 0.009 12 0 "[ . 1 . 2]" 1
1713 1 79 VAL HB 1 103 ILE MD . . 3.220 2.230 1.948 2.518 . 0 0 "[ . 1 . 2]" 1
1714 1 79 VAL HB 1 103 ILE QG . . 5.340 3.276 2.138 3.918 . 0 0 "[ . 1 . 2]" 1
1715 1 79 VAL HB 1 103 ILE MG . . 4.540 3.621 3.085 4.095 . 0 0 "[ . 1 . 2]" 1
1716 1 79 VAL MG1 1 80 LYS H . . 4.220 3.897 3.481 4.146 . 0 0 "[ . 1 . 2]" 1
1717 1 79 VAL MG2 1 80 LYS H . . 4.260 3.892 3.125 4.171 . 0 0 "[ . 1 . 2]" 1
1718 1 79 VAL MG2 1 80 LYS HA . . 4.810 4.218 3.711 4.429 . 0 0 "[ . 1 . 2]" 1
1719 1 80 LYS H 1 80 LYS HB2 . . 3.990 2.558 2.322 3.653 . 0 0 "[ . 1 . 2]" 1
1720 1 80 LYS H 1 80 LYS QB . . 3.500 2.462 2.294 2.731 . 0 0 "[ . 1 . 2]" 1
1721 1 80 LYS H 1 80 LYS HB3 . . 3.990 3.594 2.591 3.850 . 0 0 "[ . 1 . 2]" 1
1722 1 80 LYS H 1 80 LYS QD . . 4.390 2.461 1.856 3.730 . 0 0 "[ . 1 . 2]" 1
1723 1 80 LYS H 1 80 LYS QG . . 3.600 2.947 1.971 3.379 . 0 0 "[ . 1 . 2]" 1
1724 1 80 LYS H 1 81 HIS H . . 5.140 4.573 4.422 4.611 . 0 0 "[ . 1 . 2]" 1
1725 1 80 LYS H 1 83 ASP H . . 4.960 4.694 4.162 4.885 . 0 0 "[ . 1 . 2]" 1
1726 1 80 LYS H 1 83 ASP QB . . 4.060 3.891 3.693 4.072 0.012 15 0 "[ . 1 . 2]" 1
1727 1 80 LYS H 1 103 ILE MD . . 3.970 3.467 2.660 3.969 . 0 0 "[ . 1 . 2]" 1
1728 1 80 LYS HA 1 80 LYS QD . . 4.080 2.842 1.986 3.839 . 0 0 "[ . 1 . 2]" 1
1729 1 80 LYS HA 1 80 LYS QE . . 5.340 4.070 2.802 4.918 . 0 0 "[ . 1 . 2]" 1
1730 1 80 LYS HA 1 80 LYS QG . . 3.590 2.635 2.265 3.367 . 0 0 "[ . 1 . 2]" 1
1731 1 80 LYS HA 1 81 HIS H . . 3.200 2.273 2.223 2.347 . 0 0 "[ . 1 . 2]" 1
1732 1 80 LYS HA 1 81 HIS QB . . 5.340 4.251 4.101 4.663 . 0 0 "[ . 1 . 2]" 1
1733 1 80 LYS HA 1 103 ILE MD . . 4.740 4.291 3.688 4.577 . 0 0 "[ . 1 . 2]" 1
1734 1 80 LYS HA 1 103 ILE MG . . 4.760 3.843 2.702 4.292 . 0 0 "[ . 1 . 2]" 1
1735 1 80 LYS QB 1 80 LYS QD . . 3.310 2.396 2.106 2.731 . 0 0 "[ . 1 . 2]" 1
1736 1 80 LYS QB 1 80 LYS QE . . 4.080 2.885 1.989 3.748 . 0 0 "[ . 1 . 2]" 1
1737 1 80 LYS QB 1 81 HIS H . . 3.740 2.734 2.549 2.864 . 0 0 "[ . 1 . 2]" 1
1738 1 80 LYS QB 1 82 GLN H . . 4.300 2.737 2.314 3.082 . 0 0 "[ . 1 . 2]" 1
1739 1 80 LYS QB 1 82 GLN QG . . 3.150 2.033 1.828 3.003 . 0 0 "[ . 1 . 2]" 1
1740 1 80 LYS QB 1 83 ASP H . . 4.260 3.227 2.920 4.174 . 0 0 "[ . 1 . 2]" 1
1741 1 80 LYS HB2 1 81 HIS H . . 4.490 3.810 2.641 4.048 . 0 0 "[ . 1 . 2]" 1
1742 1 80 LYS HB2 1 82 GLN H . . 4.890 3.686 2.938 4.296 . 0 0 "[ . 1 . 2]" 1
1743 1 80 LYS HB2 1 83 ASP H . . 4.840 3.470 3.030 4.537 . 0 0 "[ . 1 . 2]" 1
1744 1 80 LYS HB3 1 81 HIS H . . 4.490 2.863 2.609 3.970 . 0 0 "[ . 1 . 2]" 1
1745 1 80 LYS HB3 1 82 GLN H . . 4.890 2.891 2.375 4.285 . 0 0 "[ . 1 . 2]" 1
1746 1 80 LYS HB3 1 83 ASP H . . 4.840 3.898 3.425 4.876 0.036 19 0 "[ . 1 . 2]" 1
1747 1 80 LYS QD 1 81 HIS H . . 4.980 4.628 3.835 5.038 0.058 17 0 "[ . 1 . 2]" 1
1748 1 80 LYS QG 1 81 HIS H . . 4.530 4.068 3.392 4.550 0.020 4 0 "[ . 1 . 2]" 1
1749 1 80 LYS QG 1 82 GLN HG2 . . 4.970 3.516 2.616 4.476 . 0 0 "[ . 1 . 2]" 1
1750 1 80 LYS QG 1 82 GLN QG . . 4.350 3.289 1.989 3.596 . 0 0 "[ . 1 . 2]" 1
1751 1 80 LYS QG 1 82 GLN HG3 . . 4.970 4.291 2.061 4.967 . 0 0 "[ . 1 . 2]" 1
1752 1 81 HIS H 1 81 HIS HB2 . . 3.740 2.979 2.698 3.552 . 0 0 "[ . 1 . 2]" 1
1753 1 81 HIS H 1 81 HIS HB3 . . 3.740 2.480 2.209 3.056 . 0 0 "[ . 1 . 2]" 1
1754 1 81 HIS H 1 81 HIS HD2 . . 4.970 4.642 3.737 4.971 0.001 12 0 "[ . 1 . 2]" 1
1755 1 81 HIS H 1 82 GLN H . . 4.680 2.546 2.402 2.675 . 0 0 "[ . 1 . 2]" 1
1756 1 81 HIS H 1 103 ILE MD . . 5.060 4.365 3.845 4.647 . 0 0 "[ . 1 . 2]" 1
1757 1 81 HIS H 1 103 ILE MG . . 4.130 3.351 2.610 3.779 . 0 0 "[ . 1 . 2]" 1
1758 1 81 HIS HA 1 83 ASP H . . 4.630 3.650 3.330 4.341 . 0 0 "[ . 1 . 2]" 1
1759 1 81 HIS HA 1 84 SER H . . 4.250 3.787 3.231 4.117 . 0 0 "[ . 1 . 2]" 1
1760 1 81 HIS HA 1 103 ILE HB . . 3.450 2.401 1.994 2.712 . 0 0 "[ . 1 . 2]" 1
1761 1 81 HIS HA 1 103 ILE MD . . 3.700 2.880 2.375 3.227 . 0 0 "[ . 1 . 2]" 1
1762 1 81 HIS HA 1 103 ILE QG . . 4.680 4.065 3.825 4.256 . 0 0 "[ . 1 . 2]" 1
1763 1 81 HIS HA 1 103 ILE MG . . 3.150 1.938 1.809 2.146 . 0 0 "[ . 1 . 2]" 1
1764 1 81 HIS QB 1 103 ILE MG . . 3.770 2.460 2.010 2.690 . 0 0 "[ . 1 . 2]" 1
1765 1 81 HIS QB 1 105 GLU H . . 5.340 4.207 2.834 5.225 . 0 0 "[ . 1 . 2]" 1
1766 1 81 HIS QB 1 105 GLU HA . . 4.170 3.064 2.603 3.408 . 0 0 "[ . 1 . 2]" 1
1767 1 81 HIS HB2 1 82 GLN H . . 4.710 3.981 3.651 4.190 . 0 0 "[ . 1 . 2]" 1
1768 1 81 HIS HB2 1 103 ILE MG . . 4.370 2.821 2.069 3.768 . 0 0 "[ . 1 . 2]" 1
1769 1 81 HIS HB2 1 105 GLU QG . . 5.500 3.517 2.561 4.764 . 0 0 "[ . 1 . 2]" 1
1770 1 81 HIS HB3 1 82 GLN H . . 4.710 3.160 2.593 4.413 . 0 0 "[ . 1 . 2]" 1
1771 1 81 HIS HB3 1 103 ILE MG . . 4.370 3.462 2.024 4.028 . 0 0 "[ . 1 . 2]" 1
1772 1 81 HIS HB3 1 105 GLU QG . . 5.500 3.661 2.522 5.246 . 0 0 "[ . 1 . 2]" 1
1773 1 81 HIS HD2 1 82 GLN HA . . 4.880 3.755 3.134 4.098 . 0 0 "[ . 1 . 2]" 1
1774 1 81 HIS HD2 1 82 GLN QB . . 5.500 4.493 3.814 4.964 . 0 0 "[ . 1 . 2]" 1
1775 1 81 HIS HD2 1 103 ILE MG . . 5.500 5.400 5.176 5.503 0.003 7 0 "[ . 1 . 2]" 1
1776 1 81 HIS HD2 1 105 GLU HA . . 5.500 5.143 4.500 5.499 . 0 0 "[ . 1 . 2]" 1
1777 1 81 HIS HD2 1 105 GLU QB . . 5.340 4.534 2.673 5.342 0.002 19 0 "[ . 1 . 2]" 1
1778 1 81 HIS HD2 1 105 GLU QG . . 4.710 3.349 2.594 4.676 . 0 0 "[ . 1 . 2]" 1
1779 1 81 HIS HE1 1 103 ILE MG . . 5.320 4.929 4.458 5.330 0.010 19 0 "[ . 1 . 2]" 1
1780 1 81 HIS HE1 1 105 GLU HA . . 5.500 4.931 3.493 5.504 0.004 13 0 "[ . 1 . 2]" 1
1781 1 81 HIS HE1 1 105 GLU QG . . 5.130 3.390 2.475 5.129 . 0 0 "[ . 1 . 2]" 1
1782 1 82 GLN H 1 82 GLN QB . . 3.710 2.464 2.335 2.801 . 0 0 "[ . 1 . 2]" 1
1783 1 82 GLN H 1 82 GLN HG2 . . 4.250 2.335 1.881 3.128 . 0 0 "[ . 1 . 2]" 1
1784 1 82 GLN H 1 82 GLN HG3 . . 4.250 3.230 1.889 3.775 . 0 0 "[ . 1 . 2]" 1
1785 1 82 GLN H 1 83 ASP H . . 4.040 2.793 2.608 2.936 . 0 0 "[ . 1 . 2]" 1
1786 1 82 GLN HA 1 82 GLN HG2 . . 3.980 3.708 2.807 4.143 0.163 8 0 "[ . 1 . 2]" 1
1787 1 82 GLN HA 1 82 GLN QG . . 3.480 3.277 2.733 3.350 . 0 0 "[ . 1 . 2]" 1
1788 1 82 GLN HA 1 82 GLN HG3 . . 3.980 3.715 3.539 3.893 . 0 0 "[ . 1 . 2]" 1
1789 1 82 GLN HA 1 84 SER H . . 4.460 3.630 3.425 3.931 . 0 0 "[ . 1 . 2]" 1
1790 1 82 GLN QB 1 83 ASP H . . 4.560 3.501 2.323 3.705 . 0 0 "[ . 1 . 2]" 1
1791 1 82 GLN HG2 1 83 ASP H . . 4.340 3.098 2.415 4.379 0.039 3 0 "[ . 1 . 2]" 1
1792 1 82 GLN HG3 1 83 ASP H . . 4.340 2.761 2.160 4.403 0.063 19 0 "[ . 1 . 2]" 1
1793 1 83 ASP H 1 83 ASP HB2 . . 3.780 2.415 2.275 2.601 . 0 0 "[ . 1 . 2]" 1
1794 1 83 ASP H 1 83 ASP QB . . 3.250 2.352 2.249 2.534 . 0 0 "[ . 1 . 2]" 1
1795 1 83 ASP H 1 83 ASP HB3 . . 3.780 3.412 2.804 3.735 . 0 0 "[ . 1 . 2]" 1
1796 1 83 ASP H 1 84 SER H . . 3.220 2.720 2.260 2.972 . 0 0 "[ . 1 . 2]" 1
1797 1 83 ASP H 1 103 ILE MD . . 4.180 3.385 3.022 3.656 . 0 0 "[ . 1 . 2]" 1
1798 1 83 ASP QB 1 84 SER H . . 4.110 3.729 3.547 3.825 . 0 0 "[ . 1 . 2]" 1
1799 1 83 ASP QB 1 86 ALA MB . . 3.880 2.941 2.573 3.333 . 0 0 "[ . 1 . 2]" 1
1800 1 83 ASP QB 1 101 LEU QD . . 4.070 3.788 3.326 4.079 0.009 17 0 "[ . 1 . 2]" 1
1801 1 83 ASP QB 1 103 ILE MD . . 3.520 2.824 2.443 3.145 . 0 0 "[ . 1 . 2]" 1
1802 1 83 ASP HB2 1 84 SER H . . 4.720 4.141 3.825 4.499 . 0 0 "[ . 1 . 2]" 1
1803 1 83 ASP HB2 1 86 ALA MB . . 4.500 4.177 3.559 4.504 0.004 18 0 "[ . 1 . 2]" 1
1804 1 83 ASP HB2 1 103 ILE MD . . 4.270 3.274 2.711 4.092 . 0 0 "[ . 1 . 2]" 1
1805 1 83 ASP HB3 1 84 SER H . . 4.720 4.279 4.009 4.458 . 0 0 "[ . 1 . 2]" 1
1806 1 83 ASP HB3 1 86 ALA MB . . 4.500 3.011 2.601 3.443 . 0 0 "[ . 1 . 2]" 1
1807 1 83 ASP HB3 1 103 ILE MD . . 4.270 3.375 2.473 3.933 . 0 0 "[ . 1 . 2]" 1
1808 1 84 SER H 1 84 SER HB2 . . 3.600 3.138 2.331 3.617 0.017 16 0 "[ . 1 . 2]" 1
1809 1 84 SER H 1 84 SER QB . . 3.030 2.340 2.232 2.445 . 0 0 "[ . 1 . 2]" 1
1810 1 84 SER H 1 84 SER HB3 . . 3.600 2.550 2.363 3.575 . 0 0 "[ . 1 . 2]" 1
1811 1 84 SER H 1 85 GLY H . . 4.700 4.611 4.368 4.653 . 0 0 "[ . 1 . 2]" 1
1812 1 84 SER H 1 103 ILE H . . 5.500 5.339 5.114 5.515 0.015 20 0 "[ . 1 . 2]" 1
1813 1 84 SER H 1 103 ILE HB . . 4.220 3.936 3.535 4.110 . 0 0 "[ . 1 . 2]" 1
1814 1 84 SER H 1 103 ILE MD . . 3.820 3.468 3.009 3.759 . 0 0 "[ . 1 . 2]" 1
1815 1 84 SER HA 1 85 GLY H . . 3.250 2.316 2.153 2.394 . 0 0 "[ . 1 . 2]" 1
1816 1 84 SER HA 1 86 ALA H . . 4.290 3.653 3.423 4.014 . 0 0 "[ . 1 . 2]" 1
1817 1 84 SER HA 1 86 ALA MB . . 4.800 4.332 4.060 4.812 0.012 15 0 "[ . 1 . 2]" 1
1818 1 84 SER HA 1 102 THR HA . . 4.000 3.820 3.226 4.015 0.015 16 0 "[ . 1 . 2]" 1
1819 1 84 SER HA 1 102 THR MG . . 5.400 4.641 4.179 5.173 . 0 0 "[ . 1 . 2]" 1
1820 1 84 SER HA 1 103 ILE H . . 4.130 2.889 2.639 3.139 . 0 0 "[ . 1 . 2]" 1
1821 1 84 SER HA 1 103 ILE HB . . 4.680 2.421 2.035 3.167 . 0 0 "[ . 1 . 2]" 1
1822 1 84 SER HA 1 103 ILE MD . . 3.720 2.478 2.072 3.023 . 0 0 "[ . 1 . 2]" 1
1823 1 84 SER HA 1 103 ILE QG . . 4.110 3.027 2.654 3.534 . 0 0 "[ . 1 . 2]" 1
1824 1 84 SER QB 1 103 ILE H . . 3.750 3.091 2.488 3.618 . 0 0 "[ . 1 . 2]" 1
1825 1 84 SER QB 1 103 ILE HB . . 3.730 2.917 2.568 3.676 . 0 0 "[ . 1 . 2]" 1
1826 1 84 SER QB 1 103 ILE MD . . 4.250 3.748 3.174 4.184 . 0 0 "[ . 1 . 2]" 1
1827 1 84 SER HB2 1 85 GLY H . . 4.730 3.282 2.519 4.070 . 0 0 "[ . 1 . 2]" 1
1828 1 84 SER HB2 1 103 ILE H . . 4.550 3.275 2.521 4.529 . 0 0 "[ . 1 . 2]" 1
1829 1 84 SER HB2 1 103 ILE HB . . 4.310 3.366 2.589 4.310 . 6 0 "[ . 1 . 2]" 1
1830 1 84 SER HB3 1 85 GLY H . . 4.730 3.847 2.566 4.445 . 0 0 "[ . 1 . 2]" 1
1831 1 84 SER HB3 1 103 ILE H . . 4.550 4.027 3.316 4.541 . 0 0 "[ . 1 . 2]" 1
1832 1 84 SER HB3 1 103 ILE HB . . 4.310 3.585 2.873 4.316 0.006 8 0 "[ . 1 . 2]" 1
1833 1 85 GLY H 1 86 ALA H . . 3.170 2.794 2.188 3.072 . 0 0 "[ . 1 . 2]" 1
1834 1 85 GLY H 1 86 ALA MB . . 4.740 4.345 3.711 4.627 . 0 0 "[ . 1 . 2]" 1
1835 1 85 GLY H 1 102 THR HA . . 3.860 2.237 1.898 2.826 . 0 0 "[ . 1 . 2]" 1
1836 1 85 GLY H 1 102 THR MG . . 4.580 3.708 3.206 4.424 . 0 0 "[ . 1 . 2]" 1
1837 1 85 GLY H 1 103 ILE H . . 4.610 2.668 2.165 3.316 . 0 0 "[ . 1 . 2]" 1
1838 1 85 GLY H 1 103 ILE MD . . 4.680 3.986 3.266 4.638 . 0 0 "[ . 1 . 2]" 1
1839 1 85 GLY QA 1 86 ALA MB . . 5.140 4.179 4.137 4.226 . 0 0 "[ . 1 . 2]" 1
1840 1 85 GLY QA 1 100 ALA MB . . 4.420 3.857 3.330 4.372 . 0 0 "[ . 1 . 2]" 1
1841 1 85 GLY QA 1 102 THR MG . . 5.340 4.160 3.735 4.970 . 0 0 "[ . 1 . 2]" 1
1842 1 86 ALA H 1 86 ALA MB . . 2.810 2.123 2.035 2.242 . 0 0 "[ . 1 . 2]" 1
1843 1 86 ALA H 1 87 LEU H . . 4.760 4.588 4.506 4.623 . 0 0 "[ . 1 . 2]" 1
1844 1 86 ALA H 1 101 LEU H . . 4.370 3.504 3.124 3.923 . 0 0 "[ . 1 . 2]" 1
1845 1 86 ALA H 1 101 LEU QB . . 3.830 2.733 2.247 3.214 . 0 0 "[ . 1 . 2]" 1
1846 1 86 ALA H 1 101 LEU QD . . 4.200 3.315 2.497 3.908 . 0 0 "[ . 1 . 2]" 1
1847 1 86 ALA HA 1 87 LEU H . . 2.650 2.387 2.144 2.489 . 0 0 "[ . 1 . 2]" 1
1848 1 86 ALA MB 1 87 LEU H . . 3.200 2.556 2.223 3.183 . 0 0 "[ . 1 . 2]" 1
1849 1 86 ALA MB 1 88 VAL MG2 . . 4.040 2.754 2.581 3.002 . 0 0 "[ . 1 . 2]" 1
1850 1 86 ALA MB 1 101 LEU H . . 4.000 3.582 3.139 3.976 . 0 0 "[ . 1 . 2]" 1
1851 1 86 ALA MB 1 101 LEU QB . . 3.260 2.033 1.852 2.435 . 0 0 "[ . 1 . 2]" 1
1852 1 86 ALA MB 1 101 LEU QD . . 3.010 1.997 1.657 2.537 . 0 0 "[ . 1 . 2]" 1
1853 1 86 ALA MB 1 103 ILE MD . . 4.080 3.267 2.720 3.861 . 0 0 "[ . 1 . 2]" 1
1854 1 87 LEU H 1 87 LEU HB2 . . 3.290 2.610 2.269 2.856 . 0 0 "[ . 1 . 2]" 1
1855 1 87 LEU H 1 87 LEU HB3 . . 3.290 2.903 2.823 2.967 . 0 0 "[ . 1 . 2]" 1
1856 1 87 LEU H 1 87 LEU MD1 . . 4.390 4.221 4.181 4.257 . 0 0 "[ . 1 . 2]" 1
1857 1 87 LEU H 1 87 LEU MD2 . . 4.350 3.978 3.674 4.144 . 0 0 "[ . 1 . 2]" 1
1858 1 87 LEU H 1 87 LEU HG . . 5.090 4.833 4.595 4.970 . 0 0 "[ . 1 . 2]" 1
1859 1 87 LEU H 1 88 VAL H . . 4.900 4.030 3.827 4.183 . 0 0 "[ . 1 . 2]" 1
1860 1 87 LEU HA 1 87 LEU MD1 . . 3.110 2.330 2.204 2.479 . 0 0 "[ . 1 . 2]" 1
1861 1 87 LEU HA 1 87 LEU MD2 . . 3.500 2.174 2.027 2.352 . 0 0 "[ . 1 . 2]" 1
1862 1 87 LEU HA 1 88 VAL H . . 2.980 2.201 2.149 2.221 . 0 0 "[ . 1 . 2]" 1
1863 1 87 LEU HA 1 88 VAL HB . . 4.980 4.810 4.742 4.905 . 0 0 "[ . 1 . 2]" 1
1864 1 87 LEU HA 1 88 VAL MG2 . . 4.550 3.837 3.686 3.967 . 0 0 "[ . 1 . 2]" 1
1865 1 87 LEU HA 1 99 ALA H . . 5.050 4.654 4.398 4.853 . 0 0 "[ . 1 . 2]" 1
1866 1 87 LEU HA 1 100 ALA HA . . 3.610 3.043 2.755 3.299 . 0 0 "[ . 1 . 2]" 1
1867 1 87 LEU HA 1 100 ALA MB . . 4.550 4.354 4.037 4.586 0.036 14 0 "[ . 1 . 2]" 1
1868 1 87 LEU HA 1 101 LEU H . . 4.180 3.553 3.256 3.780 . 0 0 "[ . 1 . 2]" 1
1869 1 87 LEU QB 1 88 VAL H . . 4.320 3.918 3.841 3.952 . 0 0 "[ . 1 . 2]" 1
1870 1 87 LEU MD1 1 88 VAL H . . 3.600 2.783 2.490 3.012 . 0 0 "[ . 1 . 2]" 1
1871 1 87 LEU MD1 1 88 VAL HA . . 4.870 3.695 3.508 3.847 . 0 0 "[ . 1 . 2]" 1
1872 1 87 LEU MD1 1 98 SER HB2 . . 3.440 1.982 1.831 2.770 . 0 0 "[ . 1 . 2]" 1
1873 1 87 LEU MD1 1 98 SER HB3 . . 3.900 2.751 2.057 2.956 . 0 0 "[ . 1 . 2]" 1
1874 1 87 LEU MD1 1 99 ALA H . . 3.980 2.961 2.646 3.226 . 0 0 "[ . 1 . 2]" 1
1875 1 87 LEU MD1 1 100 ALA H . . 5.500 5.114 4.998 5.201 . 0 0 "[ . 1 . 2]" 1
1876 1 87 LEU MD1 1 100 ALA HA . . 3.960 3.935 3.784 3.974 0.014 11 0 "[ . 1 . 2]" 1
1877 1 87 LEU MD1 1 101 LEU H . . 5.300 5.073 4.835 5.214 . 0 0 "[ . 1 . 2]" 1
1878 1 87 LEU MD2 1 98 SER HB3 . . 5.280 4.781 3.907 5.046 . 0 0 "[ . 1 . 2]" 1
1879 1 87 LEU MD2 1 99 ALA HA . . 5.250 4.819 4.432 5.215 . 0 0 "[ . 1 . 2]" 1
1880 1 87 LEU MD2 1 100 ALA H . . 5.500 4.909 4.571 5.217 . 0 0 "[ . 1 . 2]" 1
1881 1 87 LEU MD2 1 100 ALA HA . . 4.290 3.098 2.830 3.289 . 0 0 "[ . 1 . 2]" 1
1882 1 87 LEU MD2 1 101 LEU H . . 4.350 4.292 3.967 4.367 0.017 16 0 "[ . 1 . 2]" 1
1883 1 88 VAL H 1 88 VAL HB . . 3.360 2.624 2.565 2.697 . 0 0 "[ . 1 . 2]" 1
1884 1 88 VAL H 1 88 VAL MG1 . . 4.620 3.834 3.807 3.865 . 0 0 "[ . 1 . 2]" 1
1885 1 88 VAL H 1 88 VAL MG2 . . 3.550 2.449 2.262 2.608 . 0 0 "[ . 1 . 2]" 1
1886 1 88 VAL H 1 99 ALA MB . . 4.220 3.886 3.535 4.148 . 0 0 "[ . 1 . 2]" 1
1887 1 88 VAL H 1 100 ALA HA . . 4.040 3.556 3.256 3.839 . 0 0 "[ . 1 . 2]" 1
1888 1 88 VAL H 1 100 ALA MB . . 5.500 4.997 4.738 5.239 . 0 0 "[ . 1 . 2]" 1
1889 1 88 VAL H 1 101 LEU H . . 4.500 3.768 3.390 4.103 . 0 0 "[ . 1 . 2]" 1
1890 1 88 VAL H 1 101 LEU HB2 . . 5.500 4.210 3.828 4.628 . 0 0 "[ . 1 . 2]" 1
1891 1 88 VAL H 1 101 LEU HB3 . . 5.500 4.449 3.837 5.552 0.052 17 0 "[ . 1 . 2]" 1
1892 1 88 VAL HA 1 88 VAL MG1 . . 3.560 2.297 2.211 2.416 . 0 0 "[ . 1 . 2]" 1
1893 1 88 VAL HA 1 88 VAL MG2 . . 3.380 2.403 2.329 2.501 . 0 0 "[ . 1 . 2]" 1
1894 1 88 VAL HA 1 89 GLY H . . 2.820 2.157 2.144 2.182 . 0 0 "[ . 1 . 2]" 1
1895 1 88 VAL HA 1 89 GLY HA3 . . 4.640 4.422 4.382 4.465 . 0 0 "[ . 1 . 2]" 1
1896 1 88 VAL HB 1 89 GLY H . . 4.530 4.299 4.180 4.386 . 0 0 "[ . 1 . 2]" 1
1897 1 88 VAL HB 1 98 SER HA . . 5.500 5.514 5.491 5.538 0.038 14 0 "[ . 1 . 2]" 1
1898 1 88 VAL HB 1 99 ALA H . . 4.360 3.852 3.719 4.005 . 0 0 "[ . 1 . 2]" 1
1899 1 88 VAL HB 1 99 ALA MB . . 4.230 3.213 2.661 3.652 . 0 0 "[ . 1 . 2]" 1
1900 1 88 VAL MG1 1 89 GLY H . . 3.490 2.895 2.564 3.178 . 0 0 "[ . 1 . 2]" 1
1901 1 88 VAL MG1 1 89 GLY HA2 . . 5.500 3.685 3.556 3.811 . 0 0 "[ . 1 . 2]" 1
1902 1 88 VAL MG2 1 89 GLY H . . 4.230 4.207 4.141 4.255 0.025 4 0 "[ . 1 . 2]" 1
1903 1 88 VAL MG2 1 99 ALA H . . 5.130 4.917 4.752 5.050 . 0 0 "[ . 1 . 2]" 1
1904 1 88 VAL MG2 1 99 ALA MB . . 4.590 4.208 3.734 4.472 . 0 0 "[ . 1 . 2]" 1
1905 1 88 VAL MG2 1 100 ALA HA . . 5.010 4.673 4.386 5.015 0.005 17 0 "[ . 1 . 2]" 1
1906 1 88 VAL MG2 1 101 LEU H . . 4.980 3.829 3.453 4.203 . 0 0 "[ . 1 . 2]" 1
1907 1 88 VAL MG2 1 101 LEU QD . . 3.470 2.478 1.749 2.915 . 0 0 "[ . 1 . 2]" 1
1908 1 89 GLY H 1 90 PHE H . . 4.520 4.426 4.368 4.454 . 0 0 "[ . 1 . 2]" 1
1909 1 89 GLY HA2 1 90 PHE H . . 2.940 2.278 2.214 2.371 . 0 0 "[ . 1 . 2]" 1
1910 1 89 GLY HA2 1 98 SER HA . . 3.400 2.028 1.973 2.163 . 0 0 "[ . 1 . 2]" 1
1911 1 89 GLY HA2 1 98 SER HB2 . . 4.490 3.574 2.969 4.436 . 0 0 "[ . 1 . 2]" 1
1912 1 89 GLY HA2 1 98 SER HB3 . . 4.030 3.502 2.839 3.936 . 0 0 "[ . 1 . 2]" 1
1913 1 89 GLY HA2 1 99 ALA H . . 4.020 3.128 2.932 3.354 . 0 0 "[ . 1 . 2]" 1
1914 1 89 GLY HA3 1 90 PHE H . . 3.250 2.902 2.775 3.004 . 0 0 "[ . 1 . 2]" 1
1915 1 89 GLY HA3 1 97 ASP H . . 5.370 5.155 4.837 5.381 0.011 15 0 "[ . 1 . 2]" 1
1916 1 89 GLY HA3 1 98 SER HA . . 3.570 2.511 2.231 3.009 . 0 0 "[ . 1 . 2]" 1
1917 1 89 GLY HA3 1 99 ALA H . . 4.780 3.741 3.532 4.104 . 0 0 "[ . 1 . 2]" 1
1918 1 90 PHE H 1 90 PHE HB2 . . 3.820 3.199 2.990 3.353 . 0 0 "[ . 1 . 2]" 1
1919 1 90 PHE H 1 90 PHE QB . . 3.230 2.341 2.237 2.429 . 0 0 "[ . 1 . 2]" 1
1920 1 90 PHE H 1 90 PHE HB3 . . 3.820 2.408 2.292 2.543 . 0 0 "[ . 1 . 2]" 1
1921 1 90 PHE H 1 97 ASP H . . 4.120 3.988 3.780 4.147 0.027 12 0 "[ . 1 . 2]" 1
1922 1 90 PHE H 1 97 ASP QB . . 4.530 4.211 3.877 4.545 0.015 11 0 "[ . 1 . 2]" 1
1923 1 90 PHE H 1 98 SER HA . . 3.800 3.305 3.027 3.524 . 0 0 "[ . 1 . 2]" 1
1924 1 90 PHE H 1 98 SER HB2 . . 5.500 5.180 4.662 5.516 0.016 18 0 "[ . 1 . 2]" 1
1925 1 90 PHE H 1 98 SER HB3 . . 4.940 4.518 3.939 4.940 . 0 0 "[ . 1 . 2]" 1
1926 1 90 PHE HA 1 91 SER H . . 2.840 2.158 2.146 2.163 . 0 0 "[ . 1 . 2]" 1
1927 1 90 PHE QB 1 91 SER H . . 4.060 3.916 3.894 3.936 . 0 0 "[ . 1 . 2]" 1
1928 1 90 PHE QB 1 97 ASP QB . . 5.180 4.590 4.118 4.986 . 0 0 "[ . 1 . 2]" 1
1929 1 90 PHE HB2 1 91 SER H . . 4.780 4.299 4.248 4.401 . 0 0 "[ . 1 . 2]" 1
1930 1 90 PHE HB3 1 91 SER H . . 4.780 4.510 4.436 4.550 . 0 0 "[ . 1 . 2]" 1
1931 1 90 PHE HZ 1 92 CYS HB3 . . 4.830 2.637 2.409 3.467 . 0 0 "[ . 1 . 2]" 1
1932 1 91 SER H 1 91 SER HB2 . . 3.970 3.638 3.535 3.672 . 0 0 "[ . 1 . 2]" 1
1933 1 91 SER H 1 91 SER QB . . 3.460 2.717 2.601 2.932 . 0 0 "[ . 1 . 2]" 1
1934 1 91 SER H 1 91 SER HB3 . . 3.970 2.808 2.664 3.131 . 0 0 "[ . 1 . 2]" 1
1935 1 91 SER H 1 92 CYS H . . 4.670 4.496 4.458 4.524 . 0 0 "[ . 1 . 2]" 1
1936 1 91 SER HA 1 92 CYS H . . 2.530 2.155 2.147 2.168 . 0 0 "[ . 1 . 2]" 1
1937 1 91 SER HA 1 92 CYS HB3 . . 4.860 4.211 4.177 4.235 . 0 0 "[ . 1 . 2]" 1
1938 1 91 SER HA 1 95 VAL HB . . 5.500 5.554 5.531 5.570 0.070 13 0 "[ . 1 . 2]" 1
1939 1 91 SER HA 1 95 VAL MG1 . . 5.060 4.829 4.749 4.912 . 0 0 "[ . 1 . 2]" 1
1940 1 91 SER HA 1 96 GLN QB . . 4.580 4.567 4.387 4.628 0.048 5 0 "[ . 1 . 2]" 1
1941 1 91 SER HA 1 96 GLN QG . . 5.110 4.095 3.721 4.549 . 0 0 "[ . 1 . 2]" 1
1942 1 91 SER QB 1 92 CYS H . . 3.310 3.160 3.096 3.217 . 0 0 "[ . 1 . 2]" 1
1943 1 91 SER QB 1 96 GLN QG . . 4.390 4.170 3.942 4.417 0.027 19 0 "[ . 1 . 2]" 1
1944 1 91 SER HB2 1 96 GLN QB . . 5.500 5.331 4.927 5.555 0.055 13 0 "[ . 1 . 2]" 1
1945 1 91 SER HB2 1 96 GLN QG . . 5.100 4.644 4.162 5.108 0.008 11 0 "[ . 1 . 2]" 1
1946 1 91 SER HB3 1 96 GLN QB . . 5.500 5.419 5.036 5.540 0.040 19 0 "[ . 1 . 2]" 1
1947 1 91 SER HB3 1 96 GLN QG . . 5.100 4.821 4.143 5.070 . 0 0 "[ . 1 . 2]" 1
1948 1 92 CYS H 1 92 CYS HG . . 4.490 4.089 4.021 4.125 . 0 0 "[ . 1 . 2]" 1
1949 1 92 CYS H 1 95 VAL H . . 3.630 3.660 3.643 3.673 0.043 16 0 "[ . 1 . 2]" 1
1950 1 92 CYS H 1 95 VAL HB . . 4.280 4.279 4.220 4.310 0.030 7 0 "[ . 1 . 2]" 1
1951 1 92 CYS H 1 95 VAL MG1 . . 4.430 4.462 4.420 4.478 0.048 6 0 "[ . 1 . 2]" 1
1952 1 92 CYS H 1 95 VAL MG2 . . 5.500 5.480 5.418 5.507 0.007 14 0 "[ . 1 . 2]" 1
1953 1 92 CYS HA 1 93 PRO HD2 . . 3.600 2.455 2.443 2.470 . 0 0 "[ . 1 . 2]" 1
1954 1 92 CYS HA 1 93 PRO HD3 . . 3.190 2.320 2.315 2.328 . 0 0 "[ . 1 . 2]" 1
1955 1 92 CYS HB2 1 93 PRO HD3 . . 4.020 3.316 3.292 3.332 . 0 0 "[ . 1 . 2]" 1
1956 1 92 CYS HB3 1 93 PRO HD2 . . 3.850 3.595 3.582 3.602 . 0 0 "[ . 1 . 2]" 1
1957 1 92 CYS HB3 1 93 PRO HD3 . . 4.790 4.565 4.557 4.572 . 0 0 "[ . 1 . 2]" 1
1958 1 92 CYS HB3 1 95 VAL MG1 . . 5.200 4.795 4.723 4.875 . 0 0 "[ . 1 . 2]" 1
1959 1 92 CYS HG 1 93 PRO HD2 . . 4.270 3.146 3.084 3.213 . 0 0 "[ . 1 . 2]" 1
1960 1 92 CYS HG 1 93 PRO HD3 . . 4.640 4.391 4.341 4.447 . 0 0 "[ . 1 . 2]" 1
1961 1 92 CYS HG 1 95 VAL H . . 3.940 2.358 2.267 2.413 . 0 0 "[ . 1 . 2]" 1
1962 1 92 CYS HG 1 95 VAL HB . . 4.130 3.277 3.236 3.316 . 0 0 "[ . 1 . 2]" 1
1963 1 92 CYS HG 1 95 VAL MG1 . . 5.010 4.773 4.733 4.801 . 0 0 "[ . 1 . 2]" 1
1964 1 93 PRO HA 1 94 GLY H . . 2.740 2.418 2.393 2.423 . 0 0 "[ . 1 . 2]" 1
1965 1 93 PRO HA 1 94 GLY QA . . 4.260 3.925 3.920 3.926 . 0 0 "[ . 1 . 2]" 1
1966 1 93 PRO HA 1 95 VAL H . . 4.270 4.079 4.039 4.112 . 0 0 "[ . 1 . 2]" 1
1967 1 93 PRO HB2 1 94 GLY H . . 4.350 4.259 4.241 4.264 . 0 0 "[ . 1 . 2]" 1
1968 1 93 PRO HG2 1 94 GLY H . . 4.930 4.919 4.914 4.940 0.010 6 0 "[ . 1 . 2]" 1
1969 1 94 GLY H 1 95 VAL H . . 3.200 1.977 1.949 2.022 . 0 0 "[ . 1 . 2]" 1
1970 1 94 GLY H 1 95 VAL HB . . 5.090 4.755 4.728 4.803 . 0 0 "[ . 1 . 2]" 1
1971 1 94 GLY QA 1 95 VAL MG2 . . 3.770 3.245 3.147 3.344 . 0 0 "[ . 1 . 2]" 1
1972 1 94 GLY HA2 1 95 VAL MG2 . . 4.360 4.127 4.037 4.221 . 0 0 "[ . 1 . 2]" 1
1973 1 94 GLY HA3 1 95 VAL MG2 . . 4.360 3.395 3.276 3.516 . 0 0 "[ . 1 . 2]" 1
1974 1 95 VAL H 1 95 VAL HB . . 3.100 2.797 2.770 2.826 . 0 0 "[ . 1 . 2]" 1
1975 1 95 VAL H 1 95 VAL MG1 . . 3.900 3.867 3.854 3.894 . 0 0 "[ . 1 . 2]" 1
1976 1 95 VAL H 1 95 VAL MG2 . . 3.500 3.143 3.083 3.213 . 0 0 "[ . 1 . 2]" 1
1977 1 95 VAL H 1 96 GLN H . . 4.440 4.369 4.352 4.392 . 0 0 "[ . 1 . 2]" 1
1978 1 95 VAL H 1 96 GLN HA . . 5.060 4.849 4.835 4.865 . 0 0 "[ . 1 . 2]" 1
1979 1 95 VAL HA 1 95 VAL MG1 . . 3.230 2.460 2.397 2.503 . 0 0 "[ . 1 . 2]" 1
1980 1 95 VAL HA 1 95 VAL MG2 . . 3.180 2.293 2.201 2.374 . 0 0 "[ . 1 . 2]" 1
1981 1 95 VAL HA 1 96 GLN H . . 2.590 2.255 2.238 2.276 . 0 0 "[ . 1 . 2]" 1
1982 1 95 VAL HB 1 96 GLN H . . 4.330 3.951 3.907 3.993 . 0 0 "[ . 1 . 2]" 1
1983 1 95 VAL HB 1 96 GLN HA . . 4.970 4.705 4.673 4.723 . 0 0 "[ . 1 . 2]" 1
1984 1 95 VAL MG1 1 96 GLN H . . 3.250 2.147 2.062 2.202 . 0 0 "[ . 1 . 2]" 1
1985 1 95 VAL MG1 1 96 GLN HA . . 3.750 3.180 3.118 3.284 . 0 0 "[ . 1 . 2]" 1
1986 1 95 VAL MG1 1 96 GLN QG . . 5.000 4.443 4.042 4.931 . 0 0 "[ . 1 . 2]" 1
1987 1 95 VAL MG1 1 97 ASP H . . 4.110 3.328 3.252 3.585 . 0 0 "[ . 1 . 2]" 1
1988 1 95 VAL MG1 1 97 ASP HB2 . . 4.700 3.294 2.965 4.552 . 0 0 "[ . 1 . 2]" 1
1989 1 95 VAL MG1 1 97 ASP QB . . 4.020 3.009 2.864 3.477 . 0 0 "[ . 1 . 2]" 1
1990 1 95 VAL MG1 1 97 ASP HB3 . . 4.700 3.733 3.285 3.874 . 0 0 "[ . 1 . 2]" 1
1991 1 95 VAL MG2 1 96 GLN H . . 4.000 3.761 3.718 3.819 . 0 0 "[ . 1 . 2]" 1
1992 1 96 GLN H 1 96 GLN QB . . 3.500 2.736 2.628 2.844 . 0 0 "[ . 1 . 2]" 1
1993 1 96 GLN H 1 96 GLN QG . . 4.160 3.596 2.889 4.237 0.077 20 0 "[ . 1 . 2]" 1
1994 1 96 GLN H 1 97 ASP H . . 4.450 3.929 3.901 4.060 . 0 0 "[ . 1 . 2]" 1
1995 1 96 GLN H 1 97 ASP QB . . 4.710 3.924 3.775 4.415 . 0 0 "[ . 1 . 2]" 1
1996 1 96 GLN HA 1 96 GLN QG . . 3.410 2.525 2.383 2.642 . 0 0 "[ . 1 . 2]" 1
1997 1 96 GLN HA 1 97 ASP H . . 2.850 2.155 2.138 2.161 . 0 0 "[ . 1 . 2]" 1
1998 1 96 GLN HA 1 97 ASP QB . . 5.320 4.236 4.123 4.727 . 0 0 "[ . 1 . 2]" 1
1999 1 96 GLN QB 1 97 ASP H . . 4.020 3.690 3.369 3.938 . 0 0 "[ . 1 . 2]" 1
2000 1 96 GLN QB 1 97 ASP HA . . 5.020 4.387 4.097 4.749 . 0 0 "[ . 1 . 2]" 1
2001 1 96 GLN QG 1 97 ASP H . . 4.310 3.840 3.160 4.371 0.061 14 0 "[ . 1 . 2]" 1
2002 1 97 ASP H 1 97 ASP QB . . 3.620 2.842 2.735 3.256 . 0 0 "[ . 1 . 2]" 1
2003 1 97 ASP HA 1 98 SER H . . 2.650 2.372 2.305 2.455 . 0 0 "[ . 1 . 2]" 1
2004 1 97 ASP QB 1 98 SER H . . 3.610 3.085 2.363 3.283 . 0 0 "[ . 1 . 2]" 1
2005 1 97 ASP HB2 1 98 SER H . . 4.240 3.779 2.403 4.117 . 0 0 "[ . 1 . 2]" 1
2006 1 97 ASP HB3 1 98 SER H . . 4.240 3.397 3.135 3.788 . 0 0 "[ . 1 . 2]" 1
2007 1 98 SER H 1 98 SER HB2 . . 4.110 3.828 2.968 3.998 . 0 0 "[ . 1 . 2]" 1
2008 1 98 SER H 1 98 SER HB3 . . 3.890 3.459 3.282 3.991 0.101 4 0 "[ . 1 . 2]" 1
2009 1 98 SER H 1 99 ALA H . . 4.490 4.362 4.303 4.386 . 0 0 "[ . 1 . 2]" 1
2010 1 98 SER H 1 99 ALA MB . . 4.960 4.843 4.732 4.970 0.010 17 0 "[ . 1 . 2]" 1
2011 1 98 SER HA 1 99 ALA H . . 2.750 2.390 2.251 2.537 . 0 0 "[ . 1 . 2]" 1
2012 1 98 SER HA 1 99 ALA MB . . 4.540 3.829 3.757 3.911 . 0 0 "[ . 1 . 2]" 1
2013 1 98 SER HB2 1 99 ALA H . . 3.300 2.674 2.271 3.310 0.010 15 0 "[ . 1 . 2]" 1
2014 1 98 SER HB3 1 99 ALA H . . 4.050 3.629 2.187 4.031 . 0 0 "[ . 1 . 2]" 1
2015 1 99 ALA H 1 99 ALA MB . . 3.280 2.512 2.352 2.654 . 0 0 "[ . 1 . 2]" 1
2016 1 99 ALA H 1 100 ALA H . . 4.510 4.427 4.388 4.487 . 0 0 "[ . 1 . 2]" 1
2017 1 99 ALA HA 1 100 ALA H . . 2.850 2.544 2.248 2.603 . 0 0 "[ . 1 . 2]" 1
2018 1 99 ALA HA 1 100 ALA MB . . 4.040 3.894 3.818 3.985 . 0 0 "[ . 1 . 2]" 1
2019 1 99 ALA MB 1 100 ALA H . . 2.990 2.231 1.993 2.848 . 0 0 "[ . 1 . 2]" 1
2020 1 99 ALA MB 1 100 ALA HA . . 4.580 4.023 3.940 4.266 . 0 0 "[ . 1 . 2]" 1
2021 1 100 ALA H 1 100 ALA MB . . 2.950 2.422 2.289 2.552 . 0 0 "[ . 1 . 2]" 1
2022 1 100 ALA H 1 101 LEU H . . 4.740 4.366 4.183 4.520 . 0 0 "[ . 1 . 2]" 1
2023 1 100 ALA HA 1 101 LEU H . . 3.010 2.157 2.142 2.188 . 0 0 "[ . 1 . 2]" 1
2024 1 100 ALA HA 1 101 LEU QB . . 5.070 4.026 3.963 4.071 . 0 0 "[ . 1 . 2]" 1
2025 1 100 ALA MB 1 101 LEU H . . 3.340 3.122 2.959 3.331 . 0 0 "[ . 1 . 2]" 1
2026 1 100 ALA MB 1 101 LEU QB . . 5.250 4.609 4.525 4.719 . 0 0 "[ . 1 . 2]" 1
2027 1 100 ALA MB 1 102 THR H . . 5.500 4.666 4.245 5.405 . 0 0 "[ . 1 . 2]" 1
2028 1 101 LEU H 1 101 LEU HB2 . . 3.490 2.940 2.178 3.179 . 0 0 "[ . 1 . 2]" 1
2029 1 101 LEU H 1 101 LEU QB . . 3.020 2.297 2.154 2.380 . 0 0 "[ . 1 . 2]" 1
2030 1 101 LEU H 1 101 LEU HB3 . . 3.490 2.490 2.288 3.392 . 0 0 "[ . 1 . 2]" 1
2031 1 101 LEU H 1 102 THR H . . 5.140 4.309 4.089 4.567 . 0 0 "[ . 1 . 2]" 1
2032 1 101 LEU HA 1 101 LEU MD1 . . 4.520 2.515 2.038 3.805 . 0 0 "[ . 1 . 2]" 1
2033 1 101 LEU HA 1 101 LEU QD . . 3.070 2.278 2.031 2.643 . 0 0 "[ . 1 . 2]" 1
2034 1 101 LEU HA 1 101 LEU MD2 . . 4.520 3.717 2.045 4.006 . 0 0 "[ . 1 . 2]" 1
2035 1 101 LEU HA 1 101 LEU HG . . 3.940 3.112 2.451 3.324 . 0 0 "[ . 1 . 2]" 1
2036 1 101 LEU HA 1 102 THR H . . 2.920 2.177 2.142 2.308 . 0 0 "[ . 1 . 2]" 1
2037 1 101 LEU HA 1 102 THR HB . . 4.980 4.585 4.379 4.678 . 0 0 "[ . 1 . 2]" 1
2038 1 101 LEU HA 1 102 THR MG . . 5.500 5.473 5.415 5.515 0.015 14 0 "[ . 1 . 2]" 1
2039 1 101 LEU QB 1 102 THR H . . 4.280 3.771 2.940 3.962 . 0 0 "[ . 1 . 2]" 1
2040 1 101 LEU HB2 1 102 THR H . . 4.860 4.257 3.831 4.545 . 0 0 "[ . 1 . 2]" 1
2041 1 101 LEU HB3 1 102 THR H . . 4.860 4.257 3.002 4.521 . 0 0 "[ . 1 . 2]" 1
2042 1 101 LEU QD 1 102 THR H . . 3.340 2.742 1.895 3.215 . 0 0 "[ . 1 . 2]" 1
2043 1 101 LEU HG 1 102 THR H . . 5.010 3.521 2.277 4.481 . 0 0 "[ . 1 . 2]" 1
2044 1 102 THR H 1 102 THR HB . . 3.570 2.559 2.375 2.823 . 0 0 "[ . 1 . 2]" 1
2045 1 102 THR H 1 102 THR MG . . 4.130 3.811 3.726 3.900 . 0 0 "[ . 1 . 2]" 1
2046 1 102 THR H 1 103 ILE MD . . 5.500 5.260 4.766 5.504 0.004 4 0 "[ . 1 . 2]" 1
2047 1 102 THR HA 1 102 THR MG . . 3.230 2.400 2.294 2.472 . 0 0 "[ . 1 . 2]" 1
2048 1 102 THR HA 1 103 ILE H . . 3.150 2.191 2.143 2.254 . 0 0 "[ . 1 . 2]" 1
2049 1 102 THR HA 1 103 ILE MD . . 5.090 4.637 4.428 4.842 . 0 0 "[ . 1 . 2]" 1
2050 1 102 THR HB 1 103 ILE H . . 4.490 4.087 3.898 4.285 . 0 0 "[ . 1 . 2]" 1
2051 1 102 THR MG 1 103 ILE H . . 3.630 2.188 1.926 2.608 . 0 0 "[ . 1 . 2]" 1
2052 1 102 THR MG 1 103 ILE HA . . 4.430 3.479 3.276 3.605 . 0 0 "[ . 1 . 2]" 1
2053 1 102 THR MG 1 104 GLN HA . . 4.780 4.255 4.011 4.500 . 0 0 "[ . 1 . 2]" 1
2054 1 102 THR MG 1 104 GLN HE21 . . 5.070 2.698 1.943 4.118 . 0 0 "[ . 1 . 2]" 1
2055 1 102 THR MG 1 104 GLN QE . . 4.340 2.631 1.917 3.883 . 0 0 "[ . 1 . 2]" 1
2056 1 102 THR MG 1 104 GLN HE22 . . 5.070 3.751 2.914 4.889 . 0 0 "[ . 1 . 2]" 1
2057 1 102 THR MG 1 104 GLN QG . . 3.300 2.690 2.350 2.868 . 0 0 "[ . 1 . 2]" 1
2058 1 103 ILE H 1 103 ILE HB . . 3.800 2.794 2.667 2.966 . 0 0 "[ . 1 . 2]" 1
2059 1 103 ILE H 1 103 ILE MD . . 4.260 3.912 3.611 4.142 . 0 0 "[ . 1 . 2]" 1
2060 1 103 ILE H 1 103 ILE HG12 . . 4.570 4.155 3.949 4.310 . 0 0 "[ . 1 . 2]" 1
2061 1 103 ILE H 1 103 ILE QG . . 3.910 2.833 2.648 2.981 . 0 0 "[ . 1 . 2]" 1
2062 1 103 ILE H 1 103 ILE HG13 . . 4.570 2.884 2.690 3.039 . 0 0 "[ . 1 . 2]" 1
2063 1 103 ILE H 1 103 ILE MG . . 4.540 3.912 3.864 3.981 . 0 0 "[ . 1 . 2]" 1
2064 1 103 ILE HA 1 103 ILE MD . . 4.080 3.898 3.871 3.949 . 0 0 "[ . 1 . 2]" 1
2065 1 103 ILE HA 1 103 ILE MG . . 3.280 2.300 2.179 2.381 . 0 0 "[ . 1 . 2]" 1
2066 1 103 ILE HA 1 104 GLN H . . 3.010 2.148 2.140 2.176 . 0 0 "[ . 1 . 2]" 1
2067 1 103 ILE HA 1 104 GLN QG . . 4.740 3.883 3.594 4.198 . 0 0 "[ . 1 . 2]" 1
2068 1 103 ILE HB 1 103 ILE MD . . 3.320 2.239 2.101 2.387 . 0 0 "[ . 1 . 2]" 1
2069 1 103 ILE MD 1 104 GLN H . . 5.420 5.338 5.109 5.452 0.032 13 0 "[ . 1 . 2]" 1
2070 1 103 ILE QG 1 103 ILE MG . . 3.320 2.222 2.050 2.324 . 0 0 "[ . 1 . 2]" 1
2071 1 103 ILE MG 1 104 GLN H . . 3.520 2.785 2.230 3.089 . 0 0 "[ . 1 . 2]" 1
2072 1 103 ILE MG 1 104 GLN QG . . 5.020 4.701 4.399 4.935 . 0 0 "[ . 1 . 2]" 1
2073 1 103 ILE MG 1 105 GLU QG . . 5.500 4.717 4.045 5.484 . 0 0 "[ . 1 . 2]" 1
2074 1 104 GLN H 1 104 GLN QB . . 3.340 2.442 2.303 2.609 . 0 0 "[ . 1 . 2]" 1
2075 1 104 GLN H 1 104 GLN QG . . 3.620 2.633 2.326 2.978 . 0 0 "[ . 1 . 2]" 1
2076 1 104 GLN HA 1 104 GLN QG . . 3.480 2.725 2.322 2.954 . 0 0 "[ . 1 . 2]" 1
2077 1 104 GLN HA 1 105 GLU H . . 2.710 2.238 2.140 2.403 . 0 0 "[ . 1 . 2]" 1
2078 1 104 GLN HA 1 105 GLU HA . . 4.540 4.341 4.309 4.392 . 0 0 "[ . 1 . 2]" 1
2079 1 104 GLN HA 1 105 GLU QB . . 4.710 4.418 4.218 4.650 . 0 0 "[ . 1 . 2]" 1
2080 1 104 GLN QB 1 105 GLU H . . 3.700 2.907 2.398 3.387 . 0 0 "[ . 1 . 2]" 1
2081 1 105 GLU H 1 105 GLU HB2 . . 3.620 2.661 2.200 3.632 0.012 15 0 "[ . 1 . 2]" 1
2082 1 105 GLU H 1 105 GLU QB . . 3.060 2.402 2.178 2.681 . 0 0 "[ . 1 . 2]" 1
2083 1 105 GLU H 1 105 GLU HB3 . . 3.620 3.353 2.674 3.613 . 0 0 "[ . 1 . 2]" 1
2084 1 105 GLU H 1 105 GLU QG . . 3.250 2.459 1.879 3.243 . 0 0 "[ . 1 . 2]" 1
2085 1 105 GLU HA 1 105 GLU QG . . 3.610 2.594 2.182 3.340 . 0 0 "[ . 1 . 2]" 1
2086 1 105 GLU HA 1 106 SER H . . 3.130 2.262 2.140 2.490 . 0 0 "[ . 1 . 2]" 1
2087 1 105 GLU QB 1 106 SER H . . 3.720 2.848 2.210 3.471 . 0 0 "[ . 1 . 2]" 1
2088 1 105 GLU HB2 1 106 SER H . . 4.420 3.802 2.231 4.221 . 0 0 "[ . 1 . 2]" 1
2089 1 105 GLU HB3 1 106 SER H . . 4.420 3.145 2.341 4.273 . 0 0 "[ . 1 . 2]" 1
2090 1 105 GLU QG 1 106 SER H . . 4.520 3.895 3.314 4.444 . 0 0 "[ . 1 . 2]" 1
2091 1 106 SER H 1 106 SER HB2 . . 3.890 3.028 2.293 3.814 . 0 0 "[ . 1 . 2]" 1
2092 1 106 SER H 1 106 SER HB3 . . 3.890 2.939 2.400 3.727 . 0 0 "[ . 1 . 2]" 1
2093 1 107 SER QB 1 108 GLY H . . 4.160 3.010 2.134 3.919 . 0 0 "[ . 1 . 2]" 1
2094 1 108 GLY QA 1 109 PRO QD . . 2.590 1.940 1.861 2.030 . 0 0 "[ . 1 . 2]" 1
2095 1 108 GLY QA 1 109 PRO QG . . 4.440 3.669 3.645 3.697 . 0 0 "[ . 1 . 2]" 1
2096 1 108 GLY HA2 1 109 PRO HD2 . . 3.370 3.047 2.737 3.281 . 0 0 "[ . 1 . 2]" 1
2097 1 108 GLY HA2 1 109 PRO HD3 . . 3.370 2.766 2.489 3.006 . 0 0 "[ . 1 . 2]" 1
2098 1 108 GLY HA2 1 109 PRO QG . . 5.280 4.478 4.231 4.675 . 0 0 "[ . 1 . 2]" 1
2099 1 108 GLY HA3 1 109 PRO HD2 . . 3.370 2.069 1.937 2.300 . 0 0 "[ . 1 . 2]" 1
2100 1 108 GLY HA3 1 109 PRO HD3 . . 3.370 2.875 2.636 3.184 . 0 0 "[ . 1 . 2]" 1
2101 1 108 GLY HA3 1 109 PRO QG . . 5.280 3.907 3.803 4.078 . 0 0 "[ . 1 . 2]" 1
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