Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
426055 | 2gzp RC | 7178 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2gzp
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 1132
_Distance_constraint_stats_list.Viol_count 1216
_Distance_constraint_stats_list.Viol_total 1514.299
_Distance_constraint_stats_list.Viol_max 0.913
_Distance_constraint_stats_list.Viol_rms 0.0206
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0623
_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 11 TRP 2.389 0.136 2 0 "[ . 1 . 2]"
1 12 GLN 1.015 0.147 2 0 "[ . 1 . 2]"
1 13 ARG 0.053 0.032 1 0 "[ . 1 . 2]"
1 14 LEU 0.524 0.196 2 0 "[ . 1 . 2]"
1 15 LEU 1.310 0.196 2 0 "[ . 1 . 2]"
1 16 THR 0.053 0.032 1 0 "[ . 1 . 2]"
1 17 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 TRP 2.118 0.139 7 0 "[ . 1 . 2]"
1 20 GLN 1.787 0.195 17 0 "[ . 1 . 2]"
1 21 PRO 0.926 0.090 2 0 "[ . 1 . 2]"
1 22 VAL 0.066 0.043 1 0 "[ . 1 . 2]"
1 23 GLU 4.280 0.234 19 0 "[ . 1 . 2]"
1 24 ALA 0.919 0.234 19 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 THR 0.357 0.078 17 0 "[ . 1 . 2]"
1 27 VAL 0.496 0.082 12 0 "[ . 1 . 2]"
1 28 ASP 0.414 0.065 17 0 "[ . 1 . 2]"
1 29 ASP 0.805 0.102 8 0 "[ . 1 . 2]"
1 30 TRP 1.051 0.115 19 0 "[ . 1 . 2]"
1 31 ILE 0.408 0.083 16 0 "[ . 1 . 2]"
1 32 LYS 3.371 0.315 20 0 "[ . 1 . 2]"
1 33 ARG 4.214 0.365 19 0 "[ . 1 . 2]"
1 34 VAL 2.330 0.182 1 0 "[ . 1 . 2]"
1 35 GLY 3.136 0.151 15 0 "[ . 1 . 2]"
1 36 ASP 2.738 0.151 15 0 "[ . 1 . 2]"
1 37 GLY 0.312 0.065 11 0 "[ . 1 . 2]"
1 38 VAL 0.884 0.182 3 0 "[ . 1 . 2]"
1 39 ILE 3.717 0.182 3 0 "[ . 1 . 2]"
1 40 LEU 1.043 0.133 9 0 "[ . 1 . 2]"
1 41 LEU 0.589 0.102 20 0 "[ . 1 . 2]"
1 42 SER 1.606 0.127 2 0 "[ . 1 . 2]"
1 55 PRO 0.102 0.080 16 0 "[ . 1 . 2]"
1 56 VAL 0.847 0.165 2 0 "[ . 1 . 2]"
1 57 MET 0.847 0.165 2 0 "[ . 1 . 2]"
1 58 ILE 1.884 0.144 20 0 "[ . 1 . 2]"
1 59 ALA 0.090 0.052 3 0 "[ . 1 . 2]"
1 60 GLU 1.275 0.130 14 0 "[ . 1 . 2]"
1 61 LEU 2.482 0.200 3 0 "[ . 1 . 2]"
1 62 LEU 2.335 0.200 3 0 "[ . 1 . 2]"
1 63 ARG 0.563 0.101 1 0 "[ . 1 . 2]"
1 64 GLU 1.973 0.237 6 0 "[ . 1 . 2]"
1 65 PHE 1.673 0.096 2 0 "[ . 1 . 2]"
1 67 GLN 0.521 0.096 2 0 "[ . 1 . 2]"
1 68 PHE 0.409 0.085 15 0 "[ . 1 . 2]"
1 69 ASP 0.214 0.047 9 0 "[ . 1 . 2]"
1 70 TRP 1.410 0.106 13 0 "[ . 1 . 2]"
1 71 GLN 1.703 0.133 1 0 "[ . 1 . 2]"
1 72 VAL 0.036 0.024 5 0 "[ . 1 . 2]"
1 73 ALA 0.519 0.105 19 0 "[ . 1 . 2]"
1 74 VAL 2.302 0.144 20 0 "[ . 1 . 2]"
1 75 ALA 0.352 0.061 1 0 "[ . 1 . 2]"
1 76 ASP 0.056 0.036 2 0 "[ . 1 . 2]"
1 77 LEU 0.562 0.407 4 0 "[ . 1 . 2]"
1 78 GLU 2.502 0.407 4 0 "[ . 1 . 2]"
1 79 GLN 0.548 0.245 19 0 "[ . 1 . 2]"
1 80 SER 2.011 0.245 19 0 "[ . 1 . 2]"
1 81 GLU 0.054 0.009 12 0 "[ . 1 . 2]"
1 82 ALA 0.128 0.034 16 0 "[ . 1 . 2]"
1 83 ILE 0.050 0.050 4 0 "[ . 1 . 2]"
1 84 GLY 0.098 0.045 16 0 "[ . 1 . 2]"
1 85 ASP 3.536 0.206 14 0 "[ . 1 . 2]"
1 86 ARG 4.287 0.206 14 0 "[ . 1 . 2]"
1 87 PHE 2.425 0.123 17 0 "[ . 1 . 2]"
1 88 ASN 1.786 0.181 12 0 "[ . 1 . 2]"
1 89 VAL 0.712 0.062 19 0 "[ . 1 . 2]"
1 93 PRO 0.334 0.100 8 0 "[ . 1 . 2]"
1 94 ALA 0.816 0.100 8 0 "[ . 1 . 2]"
1 95 THR 1.408 0.179 16 0 "[ . 1 . 2]"
1 96 LEU 3.376 0.676 8 1 "[ . + 1 . 2]"
1 97 VAL 0.085 0.025 5 0 "[ . 1 . 2]"
1 98 PHE 5.260 0.913 8 1 "[ . + 1 . 2]"
1 99 THR 1.489 0.099 12 0 "[ . 1 . 2]"
1 100 ASP 4.051 0.215 20 0 "[ . 1 . 2]"
1 101 GLY 1.268 0.100 20 0 "[ . 1 . 2]"
1 102 LYS 3.536 0.215 20 0 "[ . 1 . 2]"
1 103 LEU 1.821 0.104 3 0 "[ . 1 . 2]"
1 104 ARG 0.065 0.047 17 0 "[ . 1 . 2]"
1 105 GLY 0.800 0.101 10 0 "[ . 1 . 2]"
1 106 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 LEU 2.024 0.179 16 0 "[ . 1 . 2]"
1 108 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 TRP 2.110 0.111 18 0 "[ . 1 . 2]"
1 114 ALA 0.190 0.112 16 0 "[ . 1 . 2]"
1 115 GLU 0.749 0.111 18 0 "[ . 1 . 2]"
1 116 LEU 1.948 0.097 7 0 "[ . 1 . 2]"
1 117 LEU 0.604 0.112 16 0 "[ . 1 . 2]"
1 118 THR 0.777 0.134 16 0 "[ . 1 . 2]"
1 119 LEU 1.296 0.165 12 0 "[ . 1 . 2]"
1 120 MET 0.806 0.095 7 0 "[ . 1 . 2]"
1 121 ARG 2.092 0.215 6 0 "[ . 1 . 2]"
1 122 SER 3.197 0.355 19 0 "[ . 1 . 2]"
1 123 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 VAL 1.933 0.241 1 0 "[ . 1 . 2]"
1 125 ASP 1.716 0.241 1 0 "[ . 1 . 2]"
1 126 THR 0.040 0.040 11 0 "[ . 1 . 2]"
1 127 PRO 0.040 0.040 11 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 11 TRP H 1 11 TRP HB2 . . 3.760 2.278 2.053 2.667 . 0 0 "[ . 1 . 2]" 1
2 1 11 TRP H 1 11 TRP HB3 . . 3.760 2.885 2.393 3.471 . 0 0 "[ . 1 . 2]" 1
3 1 11 TRP H 1 12 GLN H . . 3.980 2.673 2.485 2.854 . 0 0 "[ . 1 . 2]" 1
4 1 11 TRP HA 1 11 TRP HE3 . . 4.410 2.785 1.737 3.665 . 0 0 "[ . 1 . 2]" 1
5 1 11 TRP HA 1 11 TRP HZ3 . . 5.500 4.924 4.184 5.636 0.136 2 0 "[ . 1 . 2]" 1
6 1 11 TRP HA 1 14 LEU MD2 . . 5.190 3.918 1.860 4.771 . 0 0 "[ . 1 . 2]" 1
7 1 11 TRP HB2 1 12 GLN H . . 3.920 3.578 2.998 3.968 0.048 8 0 "[ . 1 . 2]" 1
8 1 11 TRP HB3 1 12 GLN H . . 3.920 2.813 2.380 3.325 . 0 0 "[ . 1 . 2]" 1
9 1 11 TRP HE1 1 21 PRO QB . . 6.380 4.777 2.240 6.380 . 0 0 "[ . 1 . 2]" 1
10 1 11 TRP HE1 1 74 VAL MG2 . . 4.980 4.503 2.808 5.061 0.081 4 0 "[ . 1 . 2]" 1
11 1 11 TRP HE3 1 14 LEU MD2 . . 6.500 4.988 2.781 6.505 0.005 12 0 "[ . 1 . 2]" 1
12 1 11 TRP HH2 1 21 PRO HA . . 5.000 3.348 2.349 4.532 . 0 0 "[ . 1 . 2]" 1
13 1 11 TRP HH2 1 21 PRO HB2 . . 5.500 4.491 3.451 5.588 0.088 10 0 "[ . 1 . 2]" 1
14 1 11 TRP HH2 1 21 PRO QB . . 5.350 2.955 1.783 4.216 . 0 0 "[ . 1 . 2]" 1
15 1 11 TRP HH2 1 21 PRO HB3 . . 5.500 3.010 1.788 4.376 . 0 0 "[ . 1 . 2]" 1
16 1 11 TRP HH2 1 74 VAL MG1 . . 5.190 3.195 1.743 4.885 . 0 0 "[ . 1 . 2]" 1
17 1 11 TRP HH2 1 74 VAL MG2 . . 6.370 3.485 1.883 5.217 . 0 0 "[ . 1 . 2]" 1
18 1 11 TRP HH2 1 75 ALA HA . . 5.500 4.536 2.985 5.555 0.055 4 0 "[ . 1 . 2]" 1
19 1 11 TRP HH2 1 76 ASP H . . 5.500 4.758 3.295 5.536 0.036 2 0 "[ . 1 . 2]" 1
20 1 11 TRP HZ2 1 15 LEU MD1 . . 5.880 4.908 3.038 5.880 0.000 9 0 "[ . 1 . 2]" 1
21 1 11 TRP HZ2 1 21 PRO HA . . 5.500 3.749 2.605 4.649 . 0 0 "[ . 1 . 2]" 1
22 1 11 TRP HZ2 1 21 PRO HB2 . . 5.500 4.483 2.945 5.552 0.052 14 0 "[ . 1 . 2]" 1
23 1 11 TRP HZ2 1 21 PRO QB . . 5.120 2.880 1.782 3.763 . 0 0 "[ . 1 . 2]" 1
24 1 11 TRP HZ2 1 21 PRO HB3 . . 5.500 2.918 1.787 3.828 . 0 0 "[ . 1 . 2]" 1
25 1 11 TRP HZ2 1 21 PRO HG2 . . 5.500 5.025 3.296 5.590 0.090 2 0 "[ . 1 . 2]" 1
26 1 11 TRP HZ2 1 21 PRO HG3 . . 5.500 3.832 1.819 4.547 . 0 0 "[ . 1 . 2]" 1
27 1 11 TRP HZ3 1 74 VAL MG1 . . 6.530 3.960 2.079 5.704 . 0 0 "[ . 1 . 2]" 1
28 1 12 GLN H 1 12 GLN HB2 . . 3.420 2.499 2.242 2.589 . 0 0 "[ . 1 . 2]" 1
29 1 12 GLN H 1 12 GLN QB . . 3.050 2.299 2.143 2.512 . 0 0 "[ . 1 . 2]" 1
30 1 12 GLN H 1 12 GLN HB3 . . 3.420 2.839 2.420 3.567 0.147 2 0 "[ . 1 . 2]" 1
31 1 12 GLN H 1 12 GLN HG2 . . 4.660 4.044 2.218 4.619 . 0 0 "[ . 1 . 2]" 1
32 1 12 GLN H 1 12 GLN QG . . 4.350 3.405 1.952 4.054 . 0 0 "[ . 1 . 2]" 1
33 1 12 GLN H 1 12 GLN HG3 . . 4.660 3.827 1.970 4.551 . 0 0 "[ . 1 . 2]" 1
34 1 12 GLN H 1 13 ARG H . . 4.350 2.650 2.458 2.787 . 0 0 "[ . 1 . 2]" 1
35 1 12 GLN HA 1 15 LEU HB2 . . 3.110 2.913 2.479 3.132 0.022 11 0 "[ . 1 . 2]" 1
36 1 12 GLN HA 1 15 LEU MD1 . . 5.440 2.927 2.086 4.985 . 0 0 "[ . 1 . 2]" 1
37 1 12 GLN QB 1 13 ARG H . . 3.660 2.601 2.352 2.803 . 0 0 "[ . 1 . 2]" 1
38 1 12 GLN HB2 1 13 ARG H . . 4.450 3.508 2.396 4.061 . 0 0 "[ . 1 . 2]" 1
39 1 12 GLN HB3 1 13 ARG H . . 4.450 2.970 2.500 3.796 . 0 0 "[ . 1 . 2]" 1
40 1 13 ARG H 1 13 ARG HB2 . . 3.860 2.350 2.079 2.527 . 0 0 "[ . 1 . 2]" 1
41 1 13 ARG H 1 13 ARG QB . . 3.530 2.307 2.052 2.481 . 0 0 "[ . 1 . 2]" 1
42 1 13 ARG H 1 13 ARG HB3 . . 3.860 3.462 2.677 3.609 . 0 0 "[ . 1 . 2]" 1
43 1 13 ARG H 1 13 ARG HG2 . . 5.070 3.063 2.216 4.605 . 0 0 "[ . 1 . 2]" 1
44 1 13 ARG H 1 13 ARG QG . . 4.570 2.880 2.199 4.072 . 0 0 "[ . 1 . 2]" 1
45 1 13 ARG H 1 13 ARG HG3 . . 5.070 3.909 3.406 4.539 . 0 0 "[ . 1 . 2]" 1
46 1 13 ARG H 1 14 LEU H . . 4.290 2.573 2.483 2.720 . 0 0 "[ . 1 . 2]" 1
47 1 13 ARG H 1 14 LEU HG . . 5.070 4.155 3.914 4.423 . 0 0 "[ . 1 . 2]" 1
48 1 13 ARG HA 1 13 ARG HG2 . . 3.950 3.128 2.244 3.692 . 0 0 "[ . 1 . 2]" 1
49 1 13 ARG HA 1 13 ARG QG . . 3.700 2.715 2.219 2.981 . 0 0 "[ . 1 . 2]" 1
50 1 13 ARG HA 1 13 ARG HG3 . . 3.950 3.354 2.432 3.790 . 0 0 "[ . 1 . 2]" 1
51 1 13 ARG HA 1 16 THR HB . . 3.610 3.073 2.377 3.642 0.032 1 0 "[ . 1 . 2]" 1
52 1 13 ARG HA 1 16 THR MG . . 6.530 4.045 3.512 4.618 . 0 0 "[ . 1 . 2]" 1
53 1 13 ARG QB 1 13 ARG QG . . 2.350 2.000 1.982 2.019 . 0 0 "[ . 1 . 2]" 1
54 1 14 LEU H 1 14 LEU QB . . 3.880 2.495 2.410 2.640 . 0 0 "[ . 1 . 2]" 1
55 1 14 LEU H 1 14 LEU HG . . 5.500 2.230 2.043 2.451 . 0 0 "[ . 1 . 2]" 1
56 1 14 LEU H 1 15 LEU H . . 3.730 2.609 2.399 2.764 . 0 0 "[ . 1 . 2]" 1
57 1 14 LEU HA 1 14 LEU MD1 . . 4.510 3.817 3.657 3.872 . 0 0 "[ . 1 . 2]" 1
58 1 14 LEU QB 1 15 LEU H . . 3.620 2.667 2.324 3.551 . 0 0 "[ . 1 . 2]" 1
59 1 14 LEU HB2 1 15 LEU H . . 3.890 2.762 2.364 3.900 0.010 2 0 "[ . 1 . 2]" 1
60 1 14 LEU HB3 1 15 LEU H . . 3.890 3.703 3.388 4.086 0.196 2 0 "[ . 1 . 2]" 1
61 1 14 LEU MD1 1 15 LEU H . . 6.530 4.188 2.341 4.720 . 0 0 "[ . 1 . 2]" 1
62 1 14 LEU MD1 1 19 TRP HE3 . . 4.980 2.961 2.014 3.684 . 0 0 "[ . 1 . 2]" 1
63 1 14 LEU MD1 1 19 TRP HH2 . . 6.530 4.781 2.986 6.127 . 0 0 "[ . 1 . 2]" 1
64 1 14 LEU MD1 1 19 TRP HZ3 . . 5.130 3.821 2.147 5.191 0.061 14 0 "[ . 1 . 2]" 1
65 1 14 LEU MD2 1 15 LEU H . . 6.530 4.505 3.950 4.681 . 0 0 "[ . 1 . 2]" 1
66 1 15 LEU H 1 15 LEU HB2 . . 3.240 2.288 2.045 2.480 . 0 0 "[ . 1 . 2]" 1
67 1 15 LEU H 1 15 LEU HB3 . . 3.550 3.490 3.056 3.598 0.048 2 0 "[ . 1 . 2]" 1
68 1 15 LEU H 1 15 LEU MD2 . . 5.100 3.691 2.433 4.302 . 0 0 "[ . 1 . 2]" 1
69 1 15 LEU H 1 15 LEU HG . . 3.830 3.260 2.221 3.916 0.086 13 0 "[ . 1 . 2]" 1
70 1 15 LEU H 1 16 THR H . . 3.580 2.626 2.413 2.786 . 0 0 "[ . 1 . 2]" 1
71 1 15 LEU HA 1 15 LEU MD2 . . 4.260 2.729 1.876 3.767 . 0 0 "[ . 1 . 2]" 1
72 1 15 LEU MD1 1 21 PRO QG . . 5.730 3.124 1.946 4.662 . 0 0 "[ . 1 . 2]" 1
73 1 15 LEU MD2 1 20 GLN QE . . 7.400 5.715 3.397 7.439 0.039 16 0 "[ . 1 . 2]" 1
74 1 15 LEU MD2 1 21 PRO HD2 . . 6.530 4.260 2.709 6.545 0.015 19 0 "[ . 1 . 2]" 1
75 1 15 LEU MD2 1 21 PRO HD3 . . 6.530 3.564 1.794 6.209 . 0 0 "[ . 1 . 2]" 1
76 1 15 LEU MD2 1 21 PRO HG2 . . 5.970 3.620 2.317 5.210 . 0 0 "[ . 1 . 2]" 1
77 1 15 LEU MD2 1 21 PRO QG . . 5.660 2.954 1.924 4.763 . 0 0 "[ . 1 . 2]" 1
78 1 15 LEU MD2 1 21 PRO HG3 . . 5.970 3.335 1.933 5.512 . 0 0 "[ . 1 . 2]" 1
79 1 16 THR H 1 16 THR HB . . 4.070 2.587 2.494 2.701 . 0 0 "[ . 1 . 2]" 1
80 1 16 THR HB 1 17 ARG H . . 4.760 2.660 2.201 3.083 . 0 0 "[ . 1 . 2]" 1
81 1 17 ARG HA 1 17 ARG QG . . 3.960 2.660 2.210 3.354 . 0 0 "[ . 1 . 2]" 1
82 1 19 TRP H 1 19 TRP HE1 . . 5.070 4.936 4.477 5.145 0.075 7 0 "[ . 1 . 2]" 1
83 1 19 TRP HA 1 19 TRP HE1 . . 5.500 4.996 4.558 5.326 . 0 0 "[ . 1 . 2]" 1
84 1 19 TRP HA 1 20 GLN H . . 3.490 2.264 2.065 2.789 . 0 0 "[ . 1 . 2]" 1
85 1 19 TRP HA 1 73 ALA HA . . 3.950 3.753 2.709 4.032 0.082 17 0 "[ . 1 . 2]" 1
86 1 19 TRP HB2 1 20 GLN H . . 4.230 3.983 3.012 4.362 0.132 3 0 "[ . 1 . 2]" 1
87 1 19 TRP HB3 1 20 GLN H . . 3.580 2.946 1.771 3.629 0.049 10 0 "[ . 1 . 2]" 1
88 1 19 TRP HB3 1 74 VAL MG2 . . 6.530 4.271 1.838 5.823 . 0 0 "[ . 1 . 2]" 1
89 1 19 TRP HD1 1 59 ALA MB . . 6.250 5.386 2.856 6.302 0.052 3 0 "[ . 1 . 2]" 1
90 1 19 TRP HE1 1 58 ILE MG . . 6.530 4.755 3.162 6.511 . 0 0 "[ . 1 . 2]" 1
91 1 19 TRP HE1 1 72 VAL MG2 . . 6.090 4.201 2.638 6.114 0.024 5 0 "[ . 1 . 2]" 1
92 1 19 TRP HE3 1 74 VAL MG1 . . 6.530 2.209 1.766 2.660 . 0 0 "[ . 1 . 2]" 1
93 1 19 TRP HH2 1 40 LEU MD1 . . 6.530 3.307 2.488 4.673 . 0 0 "[ . 1 . 2]" 1
94 1 19 TRP HH2 1 40 LEU MD2 . . 5.910 5.251 3.312 5.929 0.019 11 0 "[ . 1 . 2]" 1
95 1 19 TRP HH2 1 58 ILE HB . . 5.500 2.831 1.790 4.567 . 0 0 "[ . 1 . 2]" 1
96 1 19 TRP HH2 1 59 ALA H . . 5.500 4.067 2.903 5.415 . 0 0 "[ . 1 . 2]" 1
97 1 19 TRP HH2 1 59 ALA MB . . 6.530 4.036 3.004 5.493 . 0 0 "[ . 1 . 2]" 1
98 1 19 TRP HH2 1 74 VAL HB . . 5.500 5.113 4.291 5.639 0.139 7 0 "[ . 1 . 2]" 1
99 1 19 TRP HZ2 1 58 ILE HB . . 5.500 3.518 2.298 4.923 . 0 0 "[ . 1 . 2]" 1
100 1 19 TRP HZ2 1 59 ALA MB . . 5.440 2.563 1.770 3.594 . 0 0 "[ . 1 . 2]" 1
101 1 19 TRP HZ3 1 40 LEU MD1 . . 6.530 2.822 1.773 3.997 . 0 0 "[ . 1 . 2]" 1
102 1 19 TRP HZ3 1 40 LEU MD2 . . 6.250 4.654 2.640 6.282 0.032 15 0 "[ . 1 . 2]" 1
103 1 19 TRP HZ3 1 74 VAL HB . . 5.500 3.031 1.887 4.279 . 0 0 "[ . 1 . 2]" 1
104 1 19 TRP HZ3 1 74 VAL MG1 . . 6.530 3.307 2.526 4.158 . 0 0 "[ . 1 . 2]" 1
105 1 19 TRP HZ3 1 74 VAL MG2 . . 6.500 3.352 2.828 3.781 . 0 0 "[ . 1 . 2]" 1
106 1 20 GLN H 1 20 GLN HB2 . . 3.450 2.883 2.132 3.501 0.051 5 0 "[ . 1 . 2]" 1
107 1 20 GLN H 1 20 GLN QB . . 3.240 2.471 2.109 2.784 . 0 0 "[ . 1 . 2]" 1
108 1 20 GLN H 1 20 GLN HB3 . . 3.450 2.947 2.410 3.645 0.195 17 0 "[ . 1 . 2]" 1
109 1 20 GLN H 1 20 GLN HG2 . . 5.500 4.422 2.517 5.070 . 0 0 "[ . 1 . 2]" 1
110 1 20 GLN H 1 20 GLN QG . . 5.120 3.857 2.482 4.214 . 0 0 "[ . 1 . 2]" 1
111 1 20 GLN H 1 20 GLN HG3 . . 5.500 4.366 2.649 4.857 . 0 0 "[ . 1 . 2]" 1
112 1 20 GLN H 1 73 ALA HA . . 3.330 2.540 2.210 2.992 . 0 0 "[ . 1 . 2]" 1
113 1 20 GLN QB 1 30 TRP HE1 . . 5.260 4.005 2.784 4.904 . 0 0 "[ . 1 . 2]" 1
114 1 20 GLN QB 1 73 ALA HA . . 5.120 3.266 2.188 4.456 . 0 0 "[ . 1 . 2]" 1
115 1 20 GLN HB2 1 30 TRP HE1 . . 5.500 4.781 3.632 5.515 0.015 5 0 "[ . 1 . 2]" 1
116 1 20 GLN HB2 1 73 ALA HA . . 5.440 4.274 2.654 5.438 . 0 0 "[ . 1 . 2]" 1
117 1 20 GLN HB3 1 30 TRP HE1 . . 5.500 4.361 2.891 5.495 . 0 0 "[ . 1 . 2]" 1
118 1 20 GLN HB3 1 73 ALA HA . . 5.440 3.715 2.204 5.545 0.105 19 0 "[ . 1 . 2]" 1
119 1 20 GLN QG 1 30 TRP HE1 . . 5.850 3.824 2.205 5.081 . 0 0 "[ . 1 . 2]" 1
120 1 21 PRO HA 1 22 VAL H . . 2.800 2.170 2.127 2.239 . 0 0 "[ . 1 . 2]" 1
121 1 21 PRO HA 1 22 VAL HA . . 4.660 4.408 4.372 4.446 . 0 0 "[ . 1 . 2]" 1
122 1 21 PRO HA 1 22 VAL MG1 . . 6.340 4.082 3.890 4.282 . 0 0 "[ . 1 . 2]" 1
123 1 21 PRO HA 1 22 VAL MG2 . . 6.470 3.598 3.376 3.743 . 0 0 "[ . 1 . 2]" 1
124 1 21 PRO HA 1 74 VAL H . . 3.890 3.172 2.748 3.764 . 0 0 "[ . 1 . 2]" 1
125 1 21 PRO HA 1 74 VAL MG2 . . 5.230 3.984 2.458 5.051 . 0 0 "[ . 1 . 2]" 1
126 1 21 PRO QB 1 22 VAL H . . 4.190 3.539 3.251 3.743 . 0 0 "[ . 1 . 2]" 1
127 1 21 PRO QB 1 74 VAL MG2 . . 7.310 4.610 3.223 5.631 . 0 0 "[ . 1 . 2]" 1
128 1 21 PRO HB2 1 22 VAL H . . 4.510 3.981 3.680 4.233 . 0 0 "[ . 1 . 2]" 1
129 1 21 PRO HB3 1 22 VAL H . . 4.510 3.984 3.612 4.304 . 0 0 "[ . 1 . 2]" 1
130 1 21 PRO QD 1 74 VAL MG2 . . 7.410 5.587 3.820 6.677 . 0 0 "[ . 1 . 2]" 1
131 1 22 VAL H 1 22 VAL MG2 . . 4.510 1.879 1.778 2.043 . 0 0 "[ . 1 . 2]" 1
132 1 22 VAL H 1 73 ALA MB . . 6.530 3.495 3.119 3.817 . 0 0 "[ . 1 . 2]" 1
133 1 22 VAL H 1 74 VAL H . . 3.830 3.311 2.835 3.850 0.020 20 0 "[ . 1 . 2]" 1
134 1 22 VAL H 1 74 VAL MG2 . . 6.530 4.663 3.641 5.477 . 0 0 "[ . 1 . 2]" 1
135 1 22 VAL H 1 75 ALA MB . . 6.530 3.791 3.180 4.343 . 0 0 "[ . 1 . 2]" 1
136 1 22 VAL HA 1 23 GLU H . . 2.710 2.566 2.283 2.753 0.043 1 0 "[ . 1 . 2]" 1
137 1 22 VAL HB 1 23 GLU H . . 2.830 1.960 1.713 2.545 . 0 0 "[ . 1 . 2]" 1
138 1 22 VAL HB 1 23 GLU QB . . 6.380 4.511 4.044 4.972 . 0 0 "[ . 1 . 2]" 1
139 1 22 VAL HB 1 27 VAL MG2 . . 6.530 3.803 3.107 4.541 . 0 0 "[ . 1 . 2]" 1
140 1 22 VAL HB 1 39 ILE QG . . 6.380 3.493 2.852 3.987 . 0 0 "[ . 1 . 2]" 1
141 1 22 VAL HB 1 73 ALA MB . . 5.260 3.994 3.574 4.266 . 0 0 "[ . 1 . 2]" 1
142 1 22 VAL MG1 1 23 GLU H . . 6.030 3.323 3.054 3.486 . 0 0 "[ . 1 . 2]" 1
143 1 22 VAL MG1 1 27 VAL HA . . 6.280 4.204 3.607 4.667 . 0 0 "[ . 1 . 2]" 1
144 1 22 VAL MG1 1 27 VAL MG2 . . 7.400 3.999 3.089 4.655 . 0 0 "[ . 1 . 2]" 1
145 1 22 VAL MG1 1 30 TRP H . . 6.530 5.732 5.008 6.310 . 0 0 "[ . 1 . 2]" 1
146 1 22 VAL MG1 1 30 TRP HB2 . . 6.090 3.918 3.128 4.588 . 0 0 "[ . 1 . 2]" 1
147 1 22 VAL MG1 1 39 ILE MD . . 7.150 3.380 2.856 3.885 . 0 0 "[ . 1 . 2]" 1
148 1 22 VAL MG1 1 39 ILE QG . . 6.570 2.705 2.102 3.410 . 0 0 "[ . 1 . 2]" 1
149 1 22 VAL MG1 1 39 ILE MG . . 6.970 4.006 3.188 4.586 . 0 0 "[ . 1 . 2]" 1
150 1 22 VAL MG1 1 40 LEU H . . 6.530 5.230 4.639 5.565 . 0 0 "[ . 1 . 2]" 1
151 1 22 VAL MG1 1 73 ALA MB . . 5.730 1.802 1.764 1.948 . 0 0 "[ . 1 . 2]" 1
152 1 22 VAL MG1 1 74 VAL H . . 6.530 3.622 3.240 4.212 . 0 0 "[ . 1 . 2]" 1
153 1 22 VAL MG1 1 75 ALA MB . . 7.560 4.773 4.287 5.488 . 0 0 "[ . 1 . 2]" 1
154 1 22 VAL MG1 1 83 ILE MD . . 7.560 4.548 3.773 5.473 . 0 0 "[ . 1 . 2]" 1
155 1 22 VAL MG2 1 23 GLU H . . 4.850 3.244 2.847 3.713 . 0 0 "[ . 1 . 2]" 1
156 1 22 VAL MG2 1 27 VAL HA . . 6.160 4.885 4.486 5.399 . 0 0 "[ . 1 . 2]" 1
157 1 22 VAL MG2 1 27 VAL HB . . 5.010 4.554 3.991 4.878 . 0 0 "[ . 1 . 2]" 1
158 1 22 VAL MG2 1 30 TRP HB3 . . 6.530 5.584 4.988 6.341 . 0 0 "[ . 1 . 2]" 1
159 1 22 VAL MG2 1 39 ILE HA . . 6.530 3.200 2.786 3.627 . 0 0 "[ . 1 . 2]" 1
160 1 22 VAL MG2 1 39 ILE QG . . 5.140 2.009 1.778 2.604 . 0 0 "[ . 1 . 2]" 1
161 1 22 VAL MG2 1 73 ALA MB . . 5.450 2.450 2.025 2.939 . 0 0 "[ . 1 . 2]" 1
162 1 22 VAL MG2 1 74 VAL H . . 6.530 3.122 2.749 3.724 . 0 0 "[ . 1 . 2]" 1
163 1 22 VAL MG2 1 75 ALA MB . . 7.560 2.405 1.831 3.302 . 0 0 "[ . 1 . 2]" 1
164 1 23 GLU H 1 23 GLU HB2 . . 4.010 2.836 2.736 2.923 . 0 0 "[ . 1 . 2]" 1
165 1 23 GLU H 1 23 GLU QB . . 3.660 2.746 2.584 2.838 . 0 0 "[ . 1 . 2]" 1
166 1 23 GLU H 1 23 GLU HB3 . . 4.010 3.764 2.878 3.930 . 0 0 "[ . 1 . 2]" 1
167 1 23 GLU H 1 23 GLU HG2 . . 4.790 4.236 3.960 4.569 . 0 0 "[ . 1 . 2]" 1
168 1 23 GLU H 1 23 GLU QG . . 4.180 3.271 2.894 4.198 0.018 17 0 "[ . 1 . 2]" 1
169 1 23 GLU H 1 23 GLU HG3 . . 4.790 3.462 2.969 4.943 0.153 19 0 "[ . 1 . 2]" 1
170 1 23 GLU H 1 24 ALA H . . 4.690 4.374 4.289 4.432 . 0 0 "[ . 1 . 2]" 1
171 1 23 GLU H 1 26 THR MG . . 6.530 3.500 2.354 5.788 . 0 0 "[ . 1 . 2]" 1
172 1 23 GLU H 1 27 VAL MG2 . . 6.530 4.452 3.947 4.963 . 0 0 "[ . 1 . 2]" 1
173 1 23 GLU H 1 39 ILE HG12 . . 5.500 5.527 5.476 5.554 0.054 8 0 "[ . 1 . 2]" 1
174 1 23 GLU H 1 39 ILE HG13 . . 5.500 5.605 5.550 5.663 0.163 18 0 "[ . 1 . 2]" 1
175 1 23 GLU H 1 83 ILE MD . . 6.530 3.746 3.216 4.709 . 0 0 "[ . 1 . 2]" 1
176 1 23 GLU HA 1 24 ALA H . . 2.930 2.481 2.352 2.743 . 0 0 "[ . 1 . 2]" 1
177 1 23 GLU HA 1 79 GLN HG2 . . 5.500 3.463 1.910 5.518 0.018 7 0 "[ . 1 . 2]" 1
178 1 23 GLU HA 1 79 GLN HG3 . . 5.500 3.596 2.596 5.299 . 0 0 "[ . 1 . 2]" 1
179 1 23 GLU HA 1 83 ILE MD . . 6.530 2.976 2.363 3.892 . 0 0 "[ . 1 . 2]" 1
180 1 23 GLU QB 1 26 THR H . . 3.650 2.711 2.129 3.250 . 0 0 "[ . 1 . 2]" 1
181 1 23 GLU QB 1 26 THR MG . . 5.120 2.526 1.767 4.053 . 0 0 "[ . 1 . 2]" 1
182 1 23 GLU QB 1 79 GLN QG . . 7.250 3.810 2.691 4.889 . 0 0 "[ . 1 . 2]" 1
183 1 23 GLU HB2 1 24 ALA H . . 3.550 3.523 3.009 3.784 0.234 19 0 "[ . 1 . 2]" 1
184 1 23 GLU HB2 1 26 THR H . . 3.920 3.036 2.161 3.998 0.078 17 0 "[ . 1 . 2]" 1
185 1 23 GLU HB2 1 26 THR MG . . 5.690 2.661 1.786 4.228 . 0 0 "[ . 1 . 2]" 1
186 1 23 GLU HB3 1 24 ALA H . . 3.550 2.385 1.904 2.940 . 0 0 "[ . 1 . 2]" 1
187 1 23 GLU HB3 1 26 THR H . . 3.920 3.458 2.322 3.946 0.026 5 0 "[ . 1 . 2]" 1
188 1 23 GLU HB3 1 26 THR MG . . 5.690 3.690 1.796 5.200 . 0 0 "[ . 1 . 2]" 1
189 1 23 GLU QG 1 24 ALA H . . 4.780 3.666 2.030 4.035 . 0 0 "[ . 1 . 2]" 1
190 1 23 GLU QG 1 26 THR MG . . 6.970 3.820 3.028 5.266 . 0 0 "[ . 1 . 2]" 1
191 1 23 GLU QG 1 75 ALA MB . . 5.420 4.997 4.186 5.481 0.061 1 0 "[ . 1 . 2]" 1
192 1 23 GLU QG 1 79 GLN QG . . 6.320 2.896 1.766 4.459 . 0 0 "[ . 1 . 2]" 1
193 1 23 GLU HG2 1 24 ALA H . . 5.470 3.850 2.044 4.266 . 0 0 "[ . 1 . 2]" 1
194 1 23 GLU HG2 1 79 GLN HG2 . . 7.250 3.569 1.779 5.345 . 0 0 "[ . 1 . 2]" 1
195 1 23 GLU HG2 1 79 GLN HG3 . . 7.250 3.651 1.789 5.089 . 0 0 "[ . 1 . 2]" 1
196 1 23 GLU HG3 1 24 ALA H . . 5.470 4.658 3.439 4.975 . 0 0 "[ . 1 . 2]" 1
197 1 23 GLU HG3 1 79 GLN HG2 . . 7.250 4.987 3.494 6.899 . 0 0 "[ . 1 . 2]" 1
198 1 23 GLU HG3 1 79 GLN HG3 . . 7.250 5.095 3.486 6.665 . 0 0 "[ . 1 . 2]" 1
199 1 24 ALA H 1 25 SER H . . 4.070 2.349 1.993 2.830 . 0 0 "[ . 1 . 2]" 1
200 1 24 ALA H 1 83 ILE MD . . 6.470 3.760 2.901 4.315 . 0 0 "[ . 1 . 2]" 1
201 1 24 ALA H 1 83 ILE QG . . 5.980 3.406 2.730 4.248 . 0 0 "[ . 1 . 2]" 1
202 1 24 ALA HA 1 27 VAL HB . . 4.290 2.763 2.195 3.507 . 0 0 "[ . 1 . 2]" 1
203 1 24 ALA HA 1 27 VAL MG1 . . 4.760 2.566 2.042 3.479 . 0 0 "[ . 1 . 2]" 1
204 1 24 ALA HA 1 27 VAL MG2 . . 4.480 3.964 3.553 4.511 0.031 9 0 "[ . 1 . 2]" 1
205 1 24 ALA HA 1 83 ILE MD . . 5.410 3.511 2.784 3.984 . 0 0 "[ . 1 . 2]" 1
206 1 24 ALA HA 1 83 ILE QG . . 4.680 2.311 1.932 2.701 . 0 0 "[ . 1 . 2]" 1
207 1 24 ALA MB 1 83 ILE H . . 6.190 3.102 2.738 3.691 . 0 0 "[ . 1 . 2]" 1
208 1 24 ALA MB 1 83 ILE HA . . 6.530 2.834 1.762 4.160 . 0 0 "[ . 1 . 2]" 1
209 1 24 ALA MB 1 83 ILE MD . . 7.560 3.546 3.043 4.092 . 0 0 "[ . 1 . 2]" 1
210 1 24 ALA MB 1 83 ILE HG12 . . 6.000 2.634 2.016 3.577 . 0 0 "[ . 1 . 2]" 1
211 1 24 ALA MB 1 83 ILE QG . . 5.670 2.254 1.788 2.868 . 0 0 "[ . 1 . 2]" 1
212 1 24 ALA MB 1 83 ILE HG13 . . 6.000 2.525 1.827 3.080 . 0 0 "[ . 1 . 2]" 1
213 1 24 ALA MB 1 83 ILE MG . . 7.560 3.965 3.336 4.835 . 0 0 "[ . 1 . 2]" 1
214 1 25 SER HA 1 27 VAL H . . 5.410 4.208 3.657 4.472 . 0 0 "[ . 1 . 2]" 1
215 1 26 THR HA 1 27 VAL H . . 3.550 3.183 3.029 3.459 . 0 0 "[ . 1 . 2]" 1
216 1 26 THR HA 1 28 ASP H . . 3.920 3.861 3.692 3.950 0.030 9 0 "[ . 1 . 2]" 1
217 1 26 THR HA 1 29 ASP H . . 3.830 3.371 3.126 3.591 . 0 0 "[ . 1 . 2]" 1
218 1 26 THR HA 1 29 ASP QB . . 5.760 3.217 2.616 3.785 . 0 0 "[ . 1 . 2]" 1
219 1 26 THR HB 1 29 ASP QB . . 5.230 4.352 2.694 5.266 0.036 17 0 "[ . 1 . 2]" 1
220 1 27 VAL H 1 27 VAL HB . . 2.960 2.578 2.465 2.667 . 0 0 "[ . 1 . 2]" 1
221 1 27 VAL H 1 27 VAL MG1 . . 4.570 2.099 1.970 2.274 . 0 0 "[ . 1 . 2]" 1
222 1 27 VAL H 1 28 ASP H . . 3.300 2.647 2.486 2.825 . 0 0 "[ . 1 . 2]" 1
223 1 27 VAL H 1 30 TRP H . . 4.850 4.765 4.650 4.901 0.051 1 0 "[ . 1 . 2]" 1
224 1 27 VAL HA 1 30 TRP H . . 3.800 3.523 3.245 3.814 0.014 8 0 "[ . 1 . 2]" 1
225 1 27 VAL HA 1 30 TRP HB3 . . 3.860 2.829 2.097 3.244 . 0 0 "[ . 1 . 2]" 1
226 1 27 VAL HA 1 31 ILE H . . 4.510 3.982 3.475 4.498 . 0 0 "[ . 1 . 2]" 1
227 1 27 VAL HA 1 39 ILE QG . . 4.610 4.394 4.076 4.692 0.082 12 0 "[ . 1 . 2]" 1
228 1 27 VAL HB 1 28 ASP H . . 4.260 3.963 3.877 4.022 . 0 0 "[ . 1 . 2]" 1
229 1 27 VAL MG1 1 28 ASP H . . 4.260 2.142 1.934 2.418 . 0 0 "[ . 1 . 2]" 1
230 1 27 VAL MG1 1 28 ASP HA . . 6.250 3.222 3.090 3.358 . 0 0 "[ . 1 . 2]" 1
231 1 27 VAL MG1 1 29 ASP H . . 6.530 4.343 4.080 4.593 . 0 0 "[ . 1 . 2]" 1
232 1 27 VAL MG2 1 28 ASP H . . 5.540 3.663 3.427 3.957 . 0 0 "[ . 1 . 2]" 1
233 1 27 VAL MG2 1 28 ASP HA . . 4.790 3.687 3.398 4.025 . 0 0 "[ . 1 . 2]" 1
234 1 27 VAL MG2 1 29 ASP H . . 6.530 5.164 4.925 5.349 . 0 0 "[ . 1 . 2]" 1
235 1 27 VAL MG2 1 30 TRP H . . 6.530 4.762 4.429 5.033 . 0 0 "[ . 1 . 2]" 1
236 1 27 VAL MG2 1 30 TRP HZ3 . . 6.530 5.018 4.048 5.764 . 0 0 "[ . 1 . 2]" 1
237 1 27 VAL MG2 1 31 ILE H . . 6.000 3.960 3.404 4.534 . 0 0 "[ . 1 . 2]" 1
238 1 27 VAL MG2 1 31 ILE HB . . 4.700 4.249 3.732 4.718 0.018 8 0 "[ . 1 . 2]" 1
239 1 27 VAL MG2 1 31 ILE MD . . 6.560 2.824 1.811 3.864 . 0 0 "[ . 1 . 2]" 1
240 1 27 VAL MG2 1 31 ILE QG . . 5.670 2.641 1.917 3.795 . 0 0 "[ . 1 . 2]" 1
241 1 27 VAL MG2 1 39 ILE QG . . 5.830 2.319 1.845 2.792 . 0 0 "[ . 1 . 2]" 1
242 1 27 VAL MG2 1 87 PHE QE . . 6.220 3.667 2.107 4.579 . 0 0 "[ . 1 . 2]" 1
243 1 27 VAL MG2 1 98 PHE HD1 . . 6.530 5.661 5.315 6.087 . 0 0 "[ . 1 . 2]" 1
244 1 27 VAL MG2 1 98 PHE HD2 . . 5.720 5.405 4.732 5.798 0.078 8 0 "[ . 1 . 2]" 1
245 1 27 VAL MG2 1 98 PHE QE . . 4.790 4.011 3.614 4.365 . 0 0 "[ . 1 . 2]" 1
246 1 27 VAL MG2 1 98 PHE HZ . . 6.530 3.953 3.627 4.376 . 0 0 "[ . 1 . 2]" 1
247 1 28 ASP H 1 28 ASP QB . . 3.410 2.408 2.209 2.721 . 0 0 "[ . 1 . 2]" 1
248 1 28 ASP H 1 29 ASP H . . 3.140 2.656 2.393 2.881 . 0 0 "[ . 1 . 2]" 1
249 1 28 ASP HA 1 31 ILE H . . 4.010 3.837 3.135 4.075 0.065 17 0 "[ . 1 . 2]" 1
250 1 28 ASP HA 1 31 ILE HB . . 3.520 3.245 2.432 3.560 0.040 11 0 "[ . 1 . 2]" 1
251 1 29 ASP H 1 29 ASP HB2 . . 3.270 2.526 2.362 2.677 . 0 0 "[ . 1 . 2]" 1
252 1 29 ASP H 1 29 ASP QB . . 2.780 2.264 2.232 2.305 . 0 0 "[ . 1 . 2]" 1
253 1 29 ASP H 1 29 ASP HB3 . . 3.270 2.584 2.444 2.763 . 0 0 "[ . 1 . 2]" 1
254 1 29 ASP H 1 30 TRP H . . 2.990 2.555 2.269 2.744 . 0 0 "[ . 1 . 2]" 1
255 1 29 ASP H 1 31 ILE H . . 4.910 4.275 3.945 4.594 . 0 0 "[ . 1 . 2]" 1
256 1 29 ASP HA 1 30 TRP H . . 3.640 3.521 3.485 3.558 . 0 0 "[ . 1 . 2]" 1
257 1 29 ASP HA 1 32 LYS H . . 3.670 3.532 3.149 3.738 0.068 20 0 "[ . 1 . 2]" 1
258 1 29 ASP HA 1 32 LYS QB . . 4.120 2.694 2.080 4.222 0.102 8 0 "[ . 1 . 2]" 1
259 1 29 ASP HA 1 32 LYS QD . . 5.910 4.219 2.853 5.814 . 0 0 "[ . 1 . 2]" 1
260 1 29 ASP HA 1 32 LYS QE . . 6.380 2.931 1.725 6.425 0.045 18 0 "[ . 1 . 2]" 1
261 1 29 ASP HA 1 32 LYS HG2 . . 5.500 4.801 2.184 5.543 0.043 12 0 "[ . 1 . 2]" 1
262 1 29 ASP HA 1 32 LYS HG3 . . 5.500 4.146 2.175 5.132 . 0 0 "[ . 1 . 2]" 1
263 1 29 ASP QB 1 30 TRP H . . 3.650 2.614 2.374 2.835 . 0 0 "[ . 1 . 2]" 1
264 1 29 ASP HB2 1 30 TRP H . . 3.860 3.856 3.723 3.932 0.072 2 0 "[ . 1 . 2]" 1
265 1 29 ASP HB3 1 30 TRP H . . 3.860 2.661 2.402 2.913 . 0 0 "[ . 1 . 2]" 1
266 1 30 TRP H 1 30 TRP HB2 . . 2.900 2.435 2.321 2.595 . 0 0 "[ . 1 . 2]" 1
267 1 30 TRP H 1 30 TRP HB3 . . 2.900 2.636 2.507 2.731 . 0 0 "[ . 1 . 2]" 1
268 1 30 TRP H 1 30 TRP HD1 . . 5.500 4.794 4.618 4.988 . 0 0 "[ . 1 . 2]" 1
269 1 30 TRP H 1 30 TRP HE3 . . 5.500 4.919 4.672 5.070 . 0 0 "[ . 1 . 2]" 1
270 1 30 TRP H 1 31 ILE H . . 3.050 2.749 2.641 2.837 . 0 0 "[ . 1 . 2]" 1
271 1 30 TRP H 1 32 LYS H . . 4.720 4.124 3.872 4.527 . 0 0 "[ . 1 . 2]" 1
272 1 30 TRP HA 1 30 TRP HE1 . . 5.500 4.949 4.841 5.039 . 0 0 "[ . 1 . 2]" 1
273 1 30 TRP HA 1 30 TRP HE3 . . 5.500 4.640 4.432 4.926 . 0 0 "[ . 1 . 2]" 1
274 1 30 TRP HA 1 33 ARG HB3 . . 3.580 3.212 2.566 3.695 0.115 19 0 "[ . 1 . 2]" 1
275 1 30 TRP HB2 1 31 ILE H . . 4.540 3.726 3.575 3.874 . 0 0 "[ . 1 . 2]" 1
276 1 30 TRP HB3 1 31 ILE H . . 3.800 2.430 2.228 2.568 . 0 0 "[ . 1 . 2]" 1
277 1 30 TRP HD1 1 34 VAL MG1 . . 6.530 4.032 3.344 4.944 . 0 0 "[ . 1 . 2]" 1
278 1 30 TRP HE1 1 34 VAL MG1 . . 4.570 3.388 2.609 4.405 . 0 0 "[ . 1 . 2]" 1
279 1 30 TRP HE1 1 71 GLN HB2 . . 5.500 5.379 4.915 5.597 0.097 12 0 "[ . 1 . 2]" 1
280 1 30 TRP HE1 1 71 GLN HB3 . . 5.500 4.884 4.338 5.520 0.020 15 0 "[ . 1 . 2]" 1
281 1 30 TRP HE3 1 31 ILE H . . 4.290 3.230 2.944 3.474 . 0 0 "[ . 1 . 2]" 1
282 1 30 TRP HE3 1 31 ILE HA . . 4.850 3.064 2.508 3.803 . 0 0 "[ . 1 . 2]" 1
283 1 30 TRP HE3 1 31 ILE HB . . 5.500 4.667 4.344 5.080 . 0 0 "[ . 1 . 2]" 1
284 1 30 TRP HE3 1 31 ILE MD . . 5.780 2.715 1.754 4.615 . 0 0 "[ . 1 . 2]" 1
285 1 30 TRP HE3 1 31 ILE HG12 . . 5.340 2.861 2.500 4.118 . 0 0 "[ . 1 . 2]" 1
286 1 30 TRP HE3 1 31 ILE QG . . 4.840 2.628 2.175 3.019 . 0 0 "[ . 1 . 2]" 1
287 1 30 TRP HE3 1 31 ILE HG13 . . 5.340 3.551 2.288 4.215 . 0 0 "[ . 1 . 2]" 1
288 1 30 TRP HH2 1 34 VAL MG1 . . 6.280 4.304 3.546 5.319 . 0 0 "[ . 1 . 2]" 1
289 1 30 TRP HH2 1 38 VAL H . . 5.280 2.911 2.285 3.684 . 0 0 "[ . 1 . 2]" 1
290 1 30 TRP HH2 1 73 ALA H . . 4.820 3.947 3.550 4.549 . 0 0 "[ . 1 . 2]" 1
291 1 30 TRP HZ2 1 34 VAL MG1 . . 5.660 3.400 2.853 4.503 . 0 0 "[ . 1 . 2]" 1
292 1 30 TRP HZ2 1 34 VAL MG2 . . 5.380 3.918 3.307 4.466 . 0 0 "[ . 1 . 2]" 1
293 1 30 TRP HZ2 1 71 GLN HB2 . . 5.310 3.088 2.480 3.523 . 0 0 "[ . 1 . 2]" 1
294 1 30 TRP HZ2 1 71 GLN QB . . 4.900 2.431 2.058 2.867 . 0 0 "[ . 1 . 2]" 1
295 1 30 TRP HZ2 1 71 GLN HB3 . . 5.310 2.604 2.125 3.455 . 0 0 "[ . 1 . 2]" 1
296 1 30 TRP HZ2 1 73 ALA MB . . 5.540 2.936 2.327 3.539 . 0 0 "[ . 1 . 2]" 1
297 1 30 TRP HZ3 1 39 ILE MD . . 5.660 2.241 1.796 2.592 . 0 0 "[ . 1 . 2]" 1
298 1 31 ILE H 1 31 ILE HB . . 2.740 2.499 2.349 2.617 . 0 0 "[ . 1 . 2]" 1
299 1 31 ILE H 1 31 ILE MD . . 5.100 3.247 1.963 3.496 . 0 0 "[ . 1 . 2]" 1
300 1 31 ILE H 1 31 ILE HG12 . . 4.630 2.741 2.151 4.037 . 0 0 "[ . 1 . 2]" 1
301 1 31 ILE H 1 31 ILE QG . . 3.960 2.208 1.900 3.370 . 0 0 "[ . 1 . 2]" 1
302 1 31 ILE H 1 31 ILE HG13 . . 4.630 3.102 1.911 3.741 . 0 0 "[ . 1 . 2]" 1
303 1 31 ILE H 1 32 LYS H . . 3.270 2.705 2.612 2.865 . 0 0 "[ . 1 . 2]" 1
304 1 31 ILE H 1 33 ARG H . . 4.290 4.059 3.803 4.373 0.083 16 0 "[ . 1 . 2]" 1
305 1 31 ILE HA 1 34 VAL MG2 . . 4.540 2.357 1.793 2.841 . 0 0 "[ . 1 . 2]" 1
306 1 31 ILE HA 1 35 GLY H . . 4.260 3.348 2.804 3.896 . 0 0 "[ . 1 . 2]" 1
307 1 31 ILE HB 1 32 LYS H . . 2.930 2.610 2.403 2.818 . 0 0 "[ . 1 . 2]" 1
308 1 31 ILE HB 1 98 PHE QE . . 5.500 5.250 4.718 5.464 . 0 0 "[ . 1 . 2]" 1
309 1 31 ILE MD 1 32 LYS H . . 6.530 4.521 4.065 4.645 . 0 0 "[ . 1 . 2]" 1
310 1 31 ILE MD 1 34 VAL MG2 . . 7.560 3.716 2.441 5.420 . 0 0 "[ . 1 . 2]" 1
311 1 31 ILE MD 1 39 ILE MD . . 7.560 2.213 1.768 3.683 . 0 0 "[ . 1 . 2]" 1
312 1 31 ILE QG 1 32 LYS H . . 5.760 4.062 3.871 4.550 . 0 0 "[ . 1 . 2]" 1
313 1 31 ILE MG 1 32 LYS H . . 5.070 3.327 3.050 3.619 . 0 0 "[ . 1 . 2]" 1
314 1 31 ILE MG 1 32 LYS HA . . 6.030 3.362 3.045 3.700 . 0 0 "[ . 1 . 2]" 1
315 1 31 ILE MG 1 34 VAL H . . 6.530 4.908 4.694 5.224 . 0 0 "[ . 1 . 2]" 1
316 1 31 ILE MG 1 34 VAL MG2 . . 7.560 3.624 3.089 4.388 . 0 0 "[ . 1 . 2]" 1
317 1 31 ILE MG 1 39 ILE MD . . 7.060 4.220 3.666 4.985 . 0 0 "[ . 1 . 2]" 1
318 1 31 ILE MG 1 98 PHE HB3 . . 6.530 2.464 1.872 3.589 . 0 0 "[ . 1 . 2]" 1
319 1 31 ILE MG 1 98 PHE QE . . 6.090 3.776 3.452 4.159 . 0 0 "[ . 1 . 2]" 1
320 1 31 ILE MG 1 101 GLY H . . 5.780 4.068 3.598 4.920 . 0 0 "[ . 1 . 2]" 1
321 1 31 ILE MG 1 101 GLY HA2 . . 5.470 2.526 1.966 3.612 . 0 0 "[ . 1 . 2]" 1
322 1 31 ILE MG 1 101 GLY QA . . 5.200 2.480 1.951 3.513 . 0 0 "[ . 1 . 2]" 1
323 1 31 ILE MG 1 101 GLY HA3 . . 5.470 3.652 3.127 4.801 . 0 0 "[ . 1 . 2]" 1
324 1 31 ILE MG 1 102 LYS H . . 6.530 4.139 3.439 5.083 . 0 0 "[ . 1 . 2]" 1
325 1 32 LYS H 1 32 LYS QB . . 3.370 2.249 2.155 2.585 . 0 0 "[ . 1 . 2]" 1
326 1 32 LYS H 1 32 LYS QD . . 5.910 4.318 3.650 4.657 . 0 0 "[ . 1 . 2]" 1
327 1 32 LYS H 1 32 LYS QE . . 6.380 4.140 3.141 5.849 . 0 0 "[ . 1 . 2]" 1
328 1 32 LYS H 1 32 LYS HG2 . . 5.500 4.189 2.220 4.580 . 0 0 "[ . 1 . 2]" 1
329 1 32 LYS H 1 32 LYS HG3 . . 5.500 4.115 2.041 4.604 . 0 0 "[ . 1 . 2]" 1
330 1 32 LYS H 1 33 ARG H . . 2.900 2.638 2.522 2.740 . 0 0 "[ . 1 . 2]" 1
331 1 32 LYS HA 1 32 LYS HD2 . . 5.130 3.764 1.969 4.721 . 0 0 "[ . 1 . 2]" 1
332 1 32 LYS HA 1 32 LYS HD3 . . 5.130 4.477 2.557 4.966 . 0 0 "[ . 1 . 2]" 1
333 1 32 LYS HA 1 32 LYS HG2 . . 3.950 2.875 2.439 4.182 0.232 8 0 "[ . 1 . 2]" 1
334 1 32 LYS HA 1 32 LYS HG3 . . 4.010 3.471 2.839 3.718 . 0 0 "[ . 1 . 2]" 1
335 1 32 LYS HA 1 33 ARG H . . 3.520 3.496 3.385 3.532 0.012 7 0 "[ . 1 . 2]" 1
336 1 32 LYS QB 1 33 ARG H . . 4.150 2.781 2.065 3.674 . 0 0 "[ . 1 . 2]" 1
337 1 32 LYS QD 1 32 LYS HG3 . . 2.720 2.323 2.220 2.407 . 0 0 "[ . 1 . 2]" 1
338 1 32 LYS QD 1 33 ARG H . . 4.240 3.740 2.738 4.521 0.281 16 0 "[ . 1 . 2]" 1
339 1 32 LYS HD2 1 32 LYS HG2 . . 2.650 2.563 2.381 2.965 0.315 20 0 "[ . 1 . 2]" 1
340 1 32 LYS HD3 1 32 LYS HG2 . . 2.650 2.460 2.380 2.559 . 0 0 "[ . 1 . 2]" 1
341 1 32 LYS QE 1 33 ARG H . . 6.380 3.923 2.801 6.242 . 0 0 "[ . 1 . 2]" 1
342 1 32 LYS HG2 1 33 ARG H . . 4.790 4.460 3.011 4.923 0.133 4 0 "[ . 1 . 2]" 1
343 1 32 LYS HG3 1 33 ARG H . . 5.310 4.598 2.327 5.314 0.004 11 0 "[ . 1 . 2]" 1
344 1 33 ARG H 1 33 ARG HB2 . . 2.650 2.274 2.117 2.432 . 0 0 "[ . 1 . 2]" 1
345 1 33 ARG H 1 33 ARG HB3 . . 3.050 2.828 2.622 3.415 0.365 19 0 "[ . 1 . 2]" 1
346 1 33 ARG H 1 33 ARG HG2 . . 4.970 4.293 2.739 4.567 . 0 0 "[ . 1 . 2]" 1
347 1 33 ARG H 1 33 ARG QG . . 4.270 3.826 2.688 3.971 . 0 0 "[ . 1 . 2]" 1
348 1 33 ARG H 1 33 ARG HG3 . . 4.970 4.352 3.897 4.533 . 0 0 "[ . 1 . 2]" 1
349 1 33 ARG H 1 34 VAL H . . 2.900 2.562 2.433 2.907 0.007 16 0 "[ . 1 . 2]" 1
350 1 33 ARG H 1 34 VAL MG1 . . 6.190 4.263 3.997 4.568 . 0 0 "[ . 1 . 2]" 1
351 1 33 ARG H 1 34 VAL MG2 . . 6.530 3.825 3.569 4.259 . 0 0 "[ . 1 . 2]" 1
352 1 33 ARG H 1 35 GLY H . . 4.040 3.996 3.765 4.135 0.095 4 0 "[ . 1 . 2]" 1
353 1 33 ARG HA 1 33 ARG HG2 . . 3.890 2.608 2.166 3.035 . 0 0 "[ . 1 . 2]" 1
354 1 33 ARG HA 1 33 ARG QG . . 3.690 2.333 2.146 2.765 . 0 0 "[ . 1 . 2]" 1
355 1 33 ARG HA 1 33 ARG HG3 . . 3.890 3.011 2.360 3.628 . 0 0 "[ . 1 . 2]" 1
356 1 33 ARG HB2 1 33 ARG QG . . 2.600 2.245 2.134 2.406 . 0 0 "[ . 1 . 2]" 1
357 1 33 ARG HB2 1 34 VAL H . . 3.420 3.491 2.762 3.602 0.182 1 0 "[ . 1 . 2]" 1
358 1 33 ARG HB3 1 34 VAL H . . 3.360 2.543 2.371 3.312 . 0 0 "[ . 1 . 2]" 1
359 1 33 ARG QD 1 34 VAL H . . 6.380 4.315 3.436 4.928 . 0 0 "[ . 1 . 2]" 1
360 1 33 ARG QG 1 34 VAL H . . 4.930 4.156 3.764 4.587 . 0 0 "[ . 1 . 2]" 1
361 1 33 ARG HG2 1 34 VAL H . . 5.500 4.485 3.932 5.101 . 0 0 "[ . 1 . 2]" 1
362 1 33 ARG HG3 1 34 VAL H . . 5.500 4.968 4.806 5.201 . 0 0 "[ . 1 . 2]" 1
363 1 34 VAL H 1 34 VAL HB . . 3.670 3.680 3.653 3.720 0.050 7 0 "[ . 1 . 2]" 1
364 1 34 VAL H 1 34 VAL MG1 . . 4.020 2.431 2.233 2.910 . 0 0 "[ . 1 . 2]" 1
365 1 34 VAL H 1 34 VAL MG2 . . 4.080 2.020 1.855 2.119 . 0 0 "[ . 1 . 2]" 1
366 1 34 VAL H 1 35 GLY H . . 3.300 2.414 2.231 2.585 . 0 0 "[ . 1 . 2]" 1
367 1 34 VAL HA 1 34 VAL HB . . 2.990 2.453 2.414 2.537 . 0 0 "[ . 1 . 2]" 1
368 1 34 VAL HA 1 71 GLN HE21 . . 5.500 4.155 2.732 5.221 . 0 0 "[ . 1 . 2]" 1
369 1 34 VAL HA 1 71 GLN HE22 . . 5.500 3.814 1.851 4.933 . 0 0 "[ . 1 . 2]" 1
370 1 34 VAL HB 1 35 GLY H . . 4.110 3.737 3.455 3.921 . 0 0 "[ . 1 . 2]" 1
371 1 34 VAL HB 1 71 GLN HE21 . . 5.500 2.100 1.749 2.718 . 0 0 "[ . 1 . 2]" 1
372 1 34 VAL HB 1 71 GLN HE22 . . 5.500 2.371 1.781 2.842 . 0 0 "[ . 1 . 2]" 1
373 1 34 VAL HB 1 71 GLN QG . . 5.110 3.703 2.268 4.309 . 0 0 "[ . 1 . 2]" 1
374 1 34 VAL MG1 1 35 GLY H . . 6.090 3.935 3.861 4.077 . 0 0 "[ . 1 . 2]" 1
375 1 34 VAL MG1 1 36 ASP H . . 6.530 4.631 4.170 4.902 . 0 0 "[ . 1 . 2]" 1
376 1 34 VAL MG1 1 71 GLN H . . 6.530 5.053 4.428 5.915 . 0 0 "[ . 1 . 2]" 1
377 1 34 VAL MG1 1 71 GLN HB2 . . 4.730 3.461 2.699 4.413 . 0 0 "[ . 1 . 2]" 1
378 1 34 VAL MG1 1 71 GLN HB3 . . 4.730 3.957 3.164 4.686 . 0 0 "[ . 1 . 2]" 1
379 1 34 VAL MG1 1 71 GLN HE21 . . 6.530 2.916 1.962 4.128 . 0 0 "[ . 1 . 2]" 1
380 1 34 VAL MG1 1 71 GLN QE . . 6.410 2.637 1.906 3.460 . 0 0 "[ . 1 . 2]" 1
381 1 34 VAL MG1 1 71 GLN HE22 . . 6.530 3.420 1.925 4.173 . 0 0 "[ . 1 . 2]" 1
382 1 34 VAL MG1 1 71 GLN QG . . 5.920 3.032 2.037 4.198 . 0 0 "[ . 1 . 2]" 1
383 1 34 VAL MG2 1 35 GLY H . . 4.390 2.106 1.845 2.275 . 0 0 "[ . 1 . 2]" 1
384 1 34 VAL MG2 1 35 GLY QA . . 7.410 3.419 3.290 3.600 . 0 0 "[ . 1 . 2]" 1
385 1 34 VAL MG2 1 36 ASP H . . 5.100 2.685 1.776 3.040 . 0 0 "[ . 1 . 2]" 1
386 1 34 VAL MG2 1 37 GLY HA2 . . 6.530 4.452 3.892 4.934 . 0 0 "[ . 1 . 2]" 1
387 1 34 VAL MG2 1 37 GLY QA . . 6.300 3.135 2.513 3.669 . 0 0 "[ . 1 . 2]" 1
388 1 34 VAL MG2 1 37 GLY HA3 . . 6.530 3.206 2.544 3.784 . 0 0 "[ . 1 . 2]" 1
389 1 34 VAL MG2 1 71 GLN HB2 . . 5.810 3.423 2.960 4.026 . 0 0 "[ . 1 . 2]" 1
390 1 34 VAL MG2 1 71 GLN QB . . 5.520 3.323 2.907 3.787 . 0 0 "[ . 1 . 2]" 1
391 1 34 VAL MG2 1 71 GLN HB3 . . 5.810 4.534 4.027 5.009 . 0 0 "[ . 1 . 2]" 1
392 1 35 GLY H 1 36 ASP H . . 3.270 3.258 2.611 3.421 0.151 15 0 "[ . 1 . 2]" 1
393 1 35 GLY H 1 71 GLN HE21 . . 5.500 5.351 4.639 5.633 0.133 1 0 "[ . 1 . 2]" 1
394 1 35 GLY H 1 71 GLN HE22 . . 5.500 5.425 4.675 5.621 0.121 5 0 "[ . 1 . 2]" 1
395 1 35 GLY H 1 101 GLY QA . . 5.540 3.955 3.437 4.416 . 0 0 "[ . 1 . 2]" 1
396 1 35 GLY QA 1 101 GLY H . . 3.580 3.045 2.656 3.449 . 0 0 "[ . 1 . 2]" 1
397 1 35 GLY QA 1 101 GLY QA . . 5.860 2.400 1.916 2.949 . 0 0 "[ . 1 . 2]" 1
398 1 35 GLY HA2 1 101 GLY H . . 4.040 3.182 2.743 3.786 . 0 0 "[ . 1 . 2]" 1
399 1 35 GLY HA3 1 101 GLY H . . 4.040 3.956 3.445 4.090 0.050 15 0 "[ . 1 . 2]" 1
400 1 36 ASP H 1 36 ASP HB2 . . 3.670 3.041 2.495 3.801 0.131 3 0 "[ . 1 . 2]" 1
401 1 36 ASP H 1 36 ASP QB . . 3.440 2.716 2.457 3.075 . 0 0 "[ . 1 . 2]" 1
402 1 36 ASP H 1 36 ASP HB3 . . 3.670 3.440 2.600 3.799 0.129 16 0 "[ . 1 . 2]" 1
403 1 36 ASP H 1 37 GLY H . . 5.000 4.283 3.719 4.495 . 0 0 "[ . 1 . 2]" 1
404 1 36 ASP HA 1 37 GLY H . . 2.900 2.207 2.121 2.443 . 0 0 "[ . 1 . 2]" 1
405 1 36 ASP HA 1 37 GLY QA . . 4.890 3.932 3.900 4.012 . 0 0 "[ . 1 . 2]" 1
406 1 36 ASP HA 1 99 THR MG . . 6.530 3.236 2.188 4.165 . 0 0 "[ . 1 . 2]" 1
407 1 36 ASP HA 1 100 ASP H . . 4.070 3.686 2.969 4.088 0.018 17 0 "[ . 1 . 2]" 1
408 1 36 ASP QB 1 37 GLY H . . 4.410 3.163 2.347 3.985 . 0 0 "[ . 1 . 2]" 1
409 1 36 ASP QB 1 70 TRP H . . 6.380 5.341 4.566 6.389 0.009 9 0 "[ . 1 . 2]" 1
410 1 36 ASP QB 1 70 TRP HA . . 6.380 3.483 2.772 4.309 . 0 0 "[ . 1 . 2]" 1
411 1 36 ASP QB 1 70 TRP QB . . 5.520 2.745 2.022 4.235 . 0 0 "[ . 1 . 2]" 1
412 1 36 ASP HB2 1 37 GLY H . . 4.940 3.817 2.375 4.571 . 0 0 "[ . 1 . 2]" 1
413 1 36 ASP HB2 1 70 TRP HB2 . . 6.230 4.047 2.539 6.204 . 0 0 "[ . 1 . 2]" 1
414 1 36 ASP HB2 1 70 TRP HB3 . . 6.230 3.500 2.109 5.432 . 0 0 "[ . 1 . 2]" 1
415 1 36 ASP HB3 1 37 GLY H . . 4.940 3.647 2.683 4.483 . 0 0 "[ . 1 . 2]" 1
416 1 36 ASP HB3 1 70 TRP HB2 . . 6.230 4.133 2.719 5.886 . 0 0 "[ . 1 . 2]" 1
417 1 36 ASP HB3 1 70 TRP HB3 . . 6.230 3.498 2.310 4.969 . 0 0 "[ . 1 . 2]" 1
418 1 37 GLY H 1 38 VAL H . . 5.070 4.372 4.332 4.419 . 0 0 "[ . 1 . 2]" 1
419 1 37 GLY H 1 97 VAL MG1 . . 6.530 4.645 4.361 4.906 . 0 0 "[ . 1 . 2]" 1
420 1 37 GLY H 1 98 PHE H . . 3.950 3.517 3.283 3.895 . 0 0 "[ . 1 . 2]" 1
421 1 37 GLY H 1 98 PHE HB2 . . 4.170 3.089 2.694 3.623 . 0 0 "[ . 1 . 2]" 1
422 1 37 GLY H 1 98 PHE HB3 . . 4.970 4.099 3.767 4.480 . 0 0 "[ . 1 . 2]" 1
423 1 37 GLY H 1 99 THR MG . . 6.530 3.525 2.641 4.416 . 0 0 "[ . 1 . 2]" 1
424 1 37 GLY QA 1 38 VAL MG1 . . 7.410 3.291 2.996 3.450 . 0 0 "[ . 1 . 2]" 1
425 1 37 GLY QA 1 70 TRP H . . 6.380 5.381 4.808 5.916 . 0 0 "[ . 1 . 2]" 1
426 1 37 GLY QA 1 70 TRP HA . . 5.200 3.938 3.029 4.741 . 0 0 "[ . 1 . 2]" 1
427 1 37 GLY QA 1 70 TRP HE3 . . 4.800 3.534 2.878 3.942 . 0 0 "[ . 1 . 2]" 1
428 1 37 GLY QA 1 71 GLN H . . 3.230 2.444 1.854 2.801 . 0 0 "[ . 1 . 2]" 1
429 1 37 GLY HA2 1 38 VAL H . . 3.550 2.618 2.439 2.786 . 0 0 "[ . 1 . 2]" 1
430 1 37 GLY HA2 1 70 TRP HE3 . . 5.340 3.619 2.927 4.050 . 0 0 "[ . 1 . 2]" 1
431 1 37 GLY HA2 1 71 GLN H . . 3.520 2.531 1.902 2.940 . 0 0 "[ . 1 . 2]" 1
432 1 37 GLY HA3 1 38 VAL H . . 3.550 2.521 2.354 2.664 . 0 0 "[ . 1 . 2]" 1
433 1 37 GLY HA3 1 70 TRP HE3 . . 5.340 4.972 4.264 5.405 0.065 11 0 "[ . 1 . 2]" 1
434 1 37 GLY HA3 1 71 GLN H . . 3.520 3.270 2.565 3.572 0.052 7 0 "[ . 1 . 2]" 1
435 1 38 VAL H 1 38 VAL MG2 . . 4.700 2.658 2.200 3.927 . 0 0 "[ . 1 . 2]" 1
436 1 38 VAL H 1 71 GLN H . . 5.410 4.469 3.554 4.967 . 0 0 "[ . 1 . 2]" 1
437 1 38 VAL H 1 72 VAL HA . . 3.920 3.074 2.530 3.565 . 0 0 "[ . 1 . 2]" 1
438 1 38 VAL H 1 73 ALA H . . 4.070 3.399 3.073 3.710 . 0 0 "[ . 1 . 2]" 1
439 1 38 VAL HA 1 39 ILE H . . 2.900 2.177 2.135 2.256 . 0 0 "[ . 1 . 2]" 1
440 1 38 VAL HA 1 97 VAL HA . . 3.640 3.227 2.902 3.660 0.020 8 0 "[ . 1 . 2]" 1
441 1 38 VAL HB 1 39 ILE H . . 3.730 3.269 2.819 3.912 0.182 3 0 "[ . 1 . 2]" 1
442 1 38 VAL HB 1 95 THR MG . . 4.820 2.487 1.791 4.037 . 0 0 "[ . 1 . 2]" 1
443 1 38 VAL HB 1 97 VAL MG2 . . 6.030 4.145 3.450 4.868 . 0 0 "[ . 1 . 2]" 1
444 1 38 VAL MG1 1 39 ILE H . . 5.970 3.832 3.685 4.079 . 0 0 "[ . 1 . 2]" 1
445 1 38 VAL MG1 1 70 TRP HE3 . . 5.570 3.441 2.541 4.625 . 0 0 "[ . 1 . 2]" 1
446 1 38 VAL MG1 1 72 VAL MG2 . . 5.970 3.943 2.265 5.083 . 0 0 "[ . 1 . 2]" 1
447 1 38 VAL MG1 1 73 ALA H . . 5.380 4.404 2.188 5.261 . 0 0 "[ . 1 . 2]" 1
448 1 38 VAL MG1 1 95 THR MG . . 6.410 2.973 2.487 3.606 . 0 0 "[ . 1 . 2]" 1
449 1 38 VAL MG1 1 97 VAL HA . . 5.660 2.530 1.743 4.888 . 0 0 "[ . 1 . 2]" 1
450 1 38 VAL MG1 1 98 PHE H . . 5.720 3.314 2.653 4.881 . 0 0 "[ . 1 . 2]" 1
451 1 38 VAL MG2 1 39 ILE H . . 5.850 3.573 2.350 4.135 . 0 0 "[ . 1 . 2]" 1
452 1 38 VAL MG2 1 70 TRP HE3 . . 6.160 4.881 4.202 6.132 . 0 0 "[ . 1 . 2]" 1
453 1 38 VAL MG2 1 72 VAL HA . . 5.910 2.650 1.842 4.327 . 0 0 "[ . 1 . 2]" 1
454 1 38 VAL MG2 1 72 VAL MG1 . . 6.350 3.165 1.911 4.488 . 0 0 "[ . 1 . 2]" 1
455 1 38 VAL MG2 1 95 THR MG . . 7.460 2.519 1.799 3.070 . 0 0 "[ . 1 . 2]" 1
456 1 39 ILE H 1 39 ILE HB . . 3.270 2.496 2.388 2.571 . 0 0 "[ . 1 . 2]" 1
457 1 39 ILE H 1 39 ILE HG12 . . 5.500 4.396 4.263 4.582 . 0 0 "[ . 1 . 2]" 1
458 1 39 ILE H 1 39 ILE HG13 . . 5.500 4.047 3.904 4.165 . 0 0 "[ . 1 . 2]" 1
459 1 39 ILE H 1 40 LEU H . . 5.130 4.302 4.219 4.378 . 0 0 "[ . 1 . 2]" 1
460 1 39 ILE H 1 95 THR MG . . 5.810 3.781 3.087 4.532 . 0 0 "[ . 1 . 2]" 1
461 1 39 ILE H 1 96 LEU H . . 3.800 3.301 2.911 3.836 0.036 9 0 "[ . 1 . 2]" 1
462 1 39 ILE HA 1 40 LEU H . . 2.800 2.138 2.104 2.189 . 0 0 "[ . 1 . 2]" 1
463 1 39 ILE HA 1 73 ALA MB . . 5.350 2.756 2.087 3.363 . 0 0 "[ . 1 . 2]" 1
464 1 39 ILE HB 1 40 LEU H . . 4.630 4.389 4.275 4.463 . 0 0 "[ . 1 . 2]" 1
465 1 39 ILE MD 1 73 ALA MB . . 7.560 3.234 2.650 3.802 . 0 0 "[ . 1 . 2]" 1
466 1 39 ILE MD 1 87 PHE QE . . 5.780 5.221 4.304 5.748 . 0 0 "[ . 1 . 2]" 1
467 1 39 ILE MD 1 98 PHE HD1 . . 6.340 2.849 2.526 4.620 . 0 0 "[ . 1 . 2]" 1
468 1 39 ILE MD 1 98 PHE QE . . 4.330 2.515 2.275 2.991 . 0 0 "[ . 1 . 2]" 1
469 1 39 ILE MD 1 98 PHE HZ . . 6.220 3.492 3.361 3.878 . 0 0 "[ . 1 . 2]" 1
470 1 39 ILE QG 1 40 LEU H . . 6.380 4.058 3.862 4.207 . 0 0 "[ . 1 . 2]" 1
471 1 39 ILE QG 1 87 PHE QE . . 6.380 5.300 3.942 5.966 . 0 0 "[ . 1 . 2]" 1
472 1 39 ILE MG 1 40 LEU H . . 4.920 2.908 2.597 3.089 . 0 0 "[ . 1 . 2]" 1
473 1 39 ILE MG 1 40 LEU HA . . 6.530 3.709 3.610 3.823 . 0 0 "[ . 1 . 2]" 1
474 1 39 ILE MG 1 41 LEU HA . . 6.250 3.550 3.029 3.837 . 0 0 "[ . 1 . 2]" 1
475 1 39 ILE MG 1 41 LEU MD2 . . 6.970 4.046 3.364 4.582 . 0 0 "[ . 1 . 2]" 1
476 1 39 ILE MG 1 41 LEU HG . . 5.910 3.430 2.475 4.859 . 0 0 "[ . 1 . 2]" 1
477 1 39 ILE MG 1 73 ALA MB . . 7.560 3.899 3.426 4.486 . 0 0 "[ . 1 . 2]" 1
478 1 39 ILE MG 1 75 ALA MB . . 7.560 2.947 2.331 3.606 . 0 0 "[ . 1 . 2]" 1
479 1 39 ILE MG 1 87 PHE QE . . 6.530 4.516 3.284 5.415 . 0 0 "[ . 1 . 2]" 1
480 1 40 LEU H 1 40 LEU HB2 . . 3.640 2.415 2.278 2.635 . 0 0 "[ . 1 . 2]" 1
481 1 40 LEU H 1 40 LEU QB . . 3.240 2.270 2.188 2.380 . 0 0 "[ . 1 . 2]" 1
482 1 40 LEU H 1 40 LEU HB3 . . 3.640 2.838 2.538 3.631 . 0 0 "[ . 1 . 2]" 1
483 1 40 LEU H 1 40 LEU MD2 . . 5.230 4.200 3.424 4.295 . 0 0 "[ . 1 . 2]" 1
484 1 40 LEU H 1 40 LEU HG . . 5.500 4.297 2.715 4.716 . 0 0 "[ . 1 . 2]" 1
485 1 40 LEU H 1 41 LEU H . . 4.630 4.403 4.284 4.579 . 0 0 "[ . 1 . 2]" 1
486 1 40 LEU H 1 74 VAL HA . . 3.420 2.353 2.013 2.617 . 0 0 "[ . 1 . 2]" 1
487 1 40 LEU HA 1 58 ILE MD . . 6.470 5.270 3.652 6.106 . 0 0 "[ . 1 . 2]" 1
488 1 40 LEU HA 1 58 ILE QG . . 5.510 5.062 3.823 5.609 0.099 3 0 "[ . 1 . 2]" 1
489 1 40 LEU HA 1 95 THR HA . . 3.550 2.416 1.953 3.243 . 0 0 "[ . 1 . 2]" 1
490 1 40 LEU HA 1 96 LEU H . . 3.830 3.675 3.232 3.876 0.046 16 0 "[ . 1 . 2]" 1
491 1 40 LEU QB 1 41 LEU H . . 4.370 3.733 2.920 3.912 . 0 0 "[ . 1 . 2]" 1
492 1 40 LEU QB 1 74 VAL MG1 . . 5.200 3.400 1.811 4.348 . 0 0 "[ . 1 . 2]" 1
493 1 40 LEU HB2 1 41 LEU H . . 4.820 4.468 4.084 4.605 . 0 0 "[ . 1 . 2]" 1
494 1 40 LEU HB2 1 74 VAL MG1 . . 5.810 4.085 1.916 5.428 . 0 0 "[ . 1 . 2]" 1
495 1 40 LEU HB3 1 41 LEU H . . 4.820 4.015 2.991 4.337 . 0 0 "[ . 1 . 2]" 1
496 1 40 LEU HB3 1 74 VAL MG1 . . 5.810 3.733 1.982 5.065 . 0 0 "[ . 1 . 2]" 1
497 1 40 LEU MD1 1 41 LEU H . . 6.530 4.685 3.181 5.102 . 0 0 "[ . 1 . 2]" 1
498 1 40 LEU MD1 1 55 PRO HA . . 5.720 4.532 3.247 5.688 . 0 0 "[ . 1 . 2]" 1
499 1 40 LEU MD1 1 55 PRO HB2 . . 6.530 3.340 1.783 5.431 . 0 0 "[ . 1 . 2]" 1
500 1 40 LEU MD1 1 55 PRO HB3 . . 5.910 3.376 2.235 5.047 . 0 0 "[ . 1 . 2]" 1
501 1 40 LEU MD1 1 55 PRO HG2 . . 6.280 4.250 2.080 6.360 0.080 16 0 "[ . 1 . 2]" 1
502 1 40 LEU MD1 1 55 PRO HG3 . . 6.280 4.321 2.793 6.228 . 0 0 "[ . 1 . 2]" 1
503 1 40 LEU MD1 1 58 ILE HA . . 6.530 5.197 4.708 6.663 0.133 9 0 "[ . 1 . 2]" 1
504 1 40 LEU MD1 1 58 ILE HB . . 4.920 3.284 2.438 4.940 0.020 9 0 "[ . 1 . 2]" 1
505 1 40 LEU MD1 1 58 ILE MD . . 7.560 2.300 1.788 3.893 . 0 0 "[ . 1 . 2]" 1
506 1 40 LEU MD2 1 41 LEU H . . 6.530 2.564 1.982 4.681 . 0 0 "[ . 1 . 2]" 1
507 1 40 LEU MD2 1 55 PRO HA . . 6.530 5.231 3.464 6.547 0.017 10 0 "[ . 1 . 2]" 1
508 1 40 LEU MD2 1 58 ILE HB . . 5.600 5.047 2.978 5.683 0.083 18 0 "[ . 1 . 2]" 1
509 1 40 LEU MD2 1 58 ILE QG . . 5.580 3.696 2.030 4.571 . 0 0 "[ . 1 . 2]" 1
510 1 40 LEU MD2 1 94 ALA H . . 6.530 4.224 3.084 6.475 . 0 0 "[ . 1 . 2]" 1
511 1 40 LEU MD2 1 94 ALA HA . . 6.530 4.506 3.598 5.860 . 0 0 "[ . 1 . 2]" 1
512 1 40 LEU MD2 1 95 THR H . . 6.530 4.839 3.653 5.714 . 0 0 "[ . 1 . 2]" 1
513 1 40 LEU MD2 1 95 THR HA . . 6.530 3.741 2.503 4.722 . 0 0 "[ . 1 . 2]" 1
514 1 40 LEU MD2 1 95 THR HB . . 5.600 5.029 3.858 5.625 0.025 2 0 "[ . 1 . 2]" 1
515 1 41 LEU H 1 41 LEU HB2 . . 3.420 2.331 2.224 2.532 . 0 0 "[ . 1 . 2]" 1
516 1 41 LEU H 1 41 LEU HG . . 4.600 3.955 3.667 4.556 . 0 0 "[ . 1 . 2]" 1
517 1 41 LEU H 1 94 ALA H . . 3.700 3.390 2.769 3.777 0.077 5 0 "[ . 1 . 2]" 1
518 1 41 LEU H 1 95 THR HA . . 3.890 3.200 2.868 3.940 0.050 9 0 "[ . 1 . 2]" 1
519 1 41 LEU H 1 96 LEU H . . 4.660 4.343 3.814 4.685 0.025 15 0 "[ . 1 . 2]" 1
520 1 41 LEU HA 1 42 SER H . . 2.960 2.152 2.110 2.278 . 0 0 "[ . 1 . 2]" 1
521 1 41 LEU HB2 1 94 ALA H . . 4.570 2.371 1.730 3.226 . 0 0 "[ . 1 . 2]" 1
522 1 41 LEU HB2 1 94 ALA MB . . 5.570 3.839 2.924 4.816 . 0 0 "[ . 1 . 2]" 1
523 1 41 LEU HB3 1 42 SER H . . 3.760 3.370 2.759 3.862 0.102 2 0 "[ . 1 . 2]" 1
524 1 41 LEU HB3 1 42 SER QB . . 5.450 4.009 3.451 5.291 . 0 0 "[ . 1 . 2]" 1
525 1 41 LEU HB3 1 89 VAL QG . . 8.090 5.488 4.145 7.270 . 0 0 "[ . 1 . 2]" 1
526 1 41 LEU HB3 1 94 ALA MB . . 6.250 5.004 3.437 6.127 . 0 0 "[ . 1 . 2]" 1
527 1 41 LEU MD1 1 42 SER H . . 6.530 4.510 3.107 4.774 . 0 0 "[ . 1 . 2]" 1
528 1 41 LEU MD1 1 84 GLY H . . 6.000 4.715 2.841 5.493 . 0 0 "[ . 1 . 2]" 1
529 1 41 LEU MD1 1 84 GLY HA2 . . 5.190 4.362 3.238 5.084 . 0 0 "[ . 1 . 2]" 1
530 1 41 LEU MD1 1 84 GLY HA3 . . 6.060 4.965 3.357 5.866 . 0 0 "[ . 1 . 2]" 1
531 1 41 LEU MD1 1 89 VAL HB . . 6.530 5.223 4.250 6.372 . 0 0 "[ . 1 . 2]" 1
532 1 41 LEU MD1 1 89 VAL QG . . 9.120 4.069 3.086 5.502 . 0 0 "[ . 1 . 2]" 1
533 1 41 LEU MD1 1 94 ALA H . . 6.530 3.586 2.880 4.681 . 0 0 "[ . 1 . 2]" 1
534 1 41 LEU MD1 1 94 ALA MB . . 7.560 3.729 2.875 4.644 . 0 0 "[ . 1 . 2]" 1
535 1 41 LEU MD1 1 98 PHE HZ . . 5.230 4.871 4.348 5.332 0.102 20 0 "[ . 1 . 2]" 1
536 1 41 LEU MD2 1 42 SER H . . 6.530 4.816 4.263 5.251 . 0 0 "[ . 1 . 2]" 1
537 1 41 LEU MD2 1 75 ALA MB . . 7.560 4.938 4.465 5.676 . 0 0 "[ . 1 . 2]" 1
538 1 41 LEU MD2 1 84 GLY HA3 . . 4.700 2.883 2.136 3.584 . 0 0 "[ . 1 . 2]" 1
539 1 42 SER H 1 42 SER HB2 . . 4.110 3.414 2.424 4.061 . 0 0 "[ . 1 . 2]" 1
540 1 42 SER H 1 42 SER QB . . 3.640 3.097 2.390 3.457 . 0 0 "[ . 1 . 2]" 1
541 1 42 SER H 1 42 SER HB3 . . 4.110 3.742 2.604 4.121 0.011 13 0 "[ . 1 . 2]" 1
542 1 42 SER H 1 75 ALA MB . . 6.530 2.817 1.781 3.999 . 0 0 "[ . 1 . 2]" 1
543 1 42 SER H 1 80 SER H . . 4.230 4.283 4.025 4.357 0.127 2 0 "[ . 1 . 2]" 1
544 1 42 SER HA 1 75 ALA MB . . 5.690 4.328 2.901 5.366 . 0 0 "[ . 1 . 2]" 1
545 1 56 VAL H 1 56 VAL HB . . 4.040 3.184 2.541 3.845 . 0 0 "[ . 1 . 2]" 1
546 1 56 VAL HA 1 59 ALA MB . . 5.600 3.487 2.502 5.244 . 0 0 "[ . 1 . 2]" 1
547 1 56 VAL HB 1 57 MET H . . 3.520 3.169 2.087 3.685 0.165 2 0 "[ . 1 . 2]" 1
548 1 56 VAL QG 1 59 ALA MB . . 9.120 3.422 2.415 5.521 . 0 0 "[ . 1 . 2]" 1
549 1 56 VAL MG1 1 57 MET H . . 6.530 3.848 2.825 4.150 . 0 0 "[ . 1 . 2]" 1
550 1 56 VAL MG2 1 57 MET H . . 6.530 3.546 2.153 4.240 . 0 0 "[ . 1 . 2]" 1
551 1 57 MET QB 1 58 ILE HB . . 5.230 4.791 4.248 5.193 . 0 0 "[ . 1 . 2]" 1
552 1 58 ILE H 1 58 ILE HB . . 3.830 2.489 2.373 2.625 . 0 0 "[ . 1 . 2]" 1
553 1 58 ILE H 1 58 ILE HG12 . . 5.500 3.813 2.015 4.032 . 0 0 "[ . 1 . 2]" 1
554 1 58 ILE H 1 58 ILE HG13 . . 5.500 3.235 2.090 3.561 . 0 0 "[ . 1 . 2]" 1
555 1 58 ILE H 1 59 ALA H . . 4.010 2.621 2.466 2.852 . 0 0 "[ . 1 . 2]" 1
556 1 58 ILE HA 1 58 ILE MD . . 4.540 3.113 2.031 3.867 . 0 0 "[ . 1 . 2]" 1
557 1 58 ILE HA 1 61 LEU HB2 . . 3.860 2.605 1.804 3.619 . 0 0 "[ . 1 . 2]" 1
558 1 58 ILE HA 1 61 LEU HB3 . . 4.260 3.072 2.377 3.956 . 0 0 "[ . 1 . 2]" 1
559 1 58 ILE HB 1 59 ALA H . . 3.640 2.811 2.361 3.160 . 0 0 "[ . 1 . 2]" 1
560 1 58 ILE MD 1 59 ALA H . . 6.530 3.932 3.746 4.606 . 0 0 "[ . 1 . 2]" 1
561 1 58 ILE MD 1 74 VAL HB . . 5.940 5.978 5.565 6.084 0.144 20 0 "[ . 1 . 2]" 1
562 1 58 ILE MD 1 74 VAL MG2 . . 7.560 5.550 4.852 6.294 . 0 0 "[ . 1 . 2]" 1
563 1 58 ILE MD 1 94 ALA HA . . 6.530 5.872 5.144 6.569 0.039 19 0 "[ . 1 . 2]" 1
564 1 58 ILE MG 1 59 ALA H . . 5.810 3.449 2.917 3.800 . 0 0 "[ . 1 . 2]" 1
565 1 58 ILE MG 1 59 ALA HA . . 6.530 3.381 2.993 3.718 . 0 0 "[ . 1 . 2]" 1
566 1 58 ILE MG 1 59 ALA MB . . 7.150 4.068 3.371 4.494 . 0 0 "[ . 1 . 2]" 1
567 1 59 ALA H 1 60 GLU H . . 3.210 2.659 2.447 2.854 . 0 0 "[ . 1 . 2]" 1
568 1 59 ALA H 1 61 LEU H . . 4.380 3.995 3.625 4.306 . 0 0 "[ . 1 . 2]" 1
569 1 59 ALA HA 1 62 LEU MD1 . . 6.530 4.553 1.912 5.902 . 0 0 "[ . 1 . 2]" 1
570 1 59 ALA HA 1 62 LEU MD2 . . 6.530 4.154 3.098 6.346 . 0 0 "[ . 1 . 2]" 1
571 1 60 GLU H 1 60 GLU HB2 . . 2.960 2.411 2.175 2.588 . 0 0 "[ . 1 . 2]" 1
572 1 60 GLU H 1 60 GLU HB3 . . 3.450 3.005 2.495 3.580 0.130 14 0 "[ . 1 . 2]" 1
573 1 60 GLU H 1 60 GLU HG2 . . 5.100 4.295 3.688 4.627 . 0 0 "[ . 1 . 2]" 1
574 1 60 GLU H 1 60 GLU QG . . 4.790 3.683 2.740 4.073 . 0 0 "[ . 1 . 2]" 1
575 1 60 GLU H 1 60 GLU HG3 . . 5.100 4.048 2.821 4.536 . 0 0 "[ . 1 . 2]" 1
576 1 60 GLU H 1 61 LEU H . . 2.990 2.557 2.408 2.826 . 0 0 "[ . 1 . 2]" 1
577 1 60 GLU HA 1 60 GLU HG2 . . 3.800 3.688 3.574 3.778 . 0 0 "[ . 1 . 2]" 1
578 1 60 GLU HA 1 60 GLU QG . . 3.540 2.647 2.380 2.969 . 0 0 "[ . 1 . 2]" 1
579 1 60 GLU HA 1 60 GLU HG3 . . 3.800 2.719 2.416 3.106 . 0 0 "[ . 1 . 2]" 1
580 1 60 GLU HA 1 62 LEU H . . 4.480 4.316 3.936 4.552 0.072 13 0 "[ . 1 . 2]" 1
581 1 60 GLU HA 1 63 ARG H . . 4.480 3.580 2.971 4.010 . 0 0 "[ . 1 . 2]" 1
582 1 60 GLU HA 1 63 ARG QD . . 5.540 3.353 2.074 5.471 . 0 0 "[ . 1 . 2]" 1
583 1 60 GLU HB2 1 61 LEU H . . 5.500 3.327 2.379 3.878 . 0 0 "[ . 1 . 2]" 1
584 1 60 GLU HB3 1 60 GLU HG2 . . 2.520 2.364 2.251 2.470 . 0 0 "[ . 1 . 2]" 1
585 1 60 GLU HB3 1 60 GLU HG3 . . 2.520 2.498 2.393 2.615 0.095 7 0 "[ . 1 . 2]" 1
586 1 60 GLU HB3 1 61 LEU H . . 4.630 2.999 2.224 3.747 . 0 0 "[ . 1 . 2]" 1
587 1 60 GLU QG 1 63 ARG QD . . 7.250 4.238 2.129 6.310 . 0 0 "[ . 1 . 2]" 1
588 1 61 LEU H 1 61 LEU HB2 . . 3.490 2.176 2.028 2.398 . 0 0 "[ . 1 . 2]" 1
589 1 61 LEU H 1 61 LEU HB3 . . 4.140 2.965 2.550 3.526 . 0 0 "[ . 1 . 2]" 1
590 1 61 LEU H 1 62 LEU H . . 3.610 2.745 2.605 2.860 . 0 0 "[ . 1 . 2]" 1
591 1 61 LEU H 1 63 ARG H . . 4.720 4.284 3.947 4.754 0.034 10 0 "[ . 1 . 2]" 1
592 1 61 LEU HA 1 113 TRP HH2 . . 3.890 2.965 1.790 3.871 . 0 0 "[ . 1 . 2]" 1
593 1 61 LEU HA 1 113 TRP HZ2 . . 5.500 4.981 3.621 5.543 0.043 18 0 "[ . 1 . 2]" 1
594 1 61 LEU HB2 1 62 LEU H . . 3.420 3.337 2.472 3.620 0.200 3 0 "[ . 1 . 2]" 1
595 1 61 LEU HB2 1 113 TRP HH2 . . 5.500 4.814 3.088 5.605 0.105 1 0 "[ . 1 . 2]" 1
596 1 61 LEU HB3 1 62 LEU H . . 2.900 2.622 2.187 3.031 0.131 7 0 "[ . 1 . 2]" 1
597 1 61 LEU HB3 1 113 TRP HH2 . . 5.500 5.249 4.413 5.544 0.044 5 0 "[ . 1 . 2]" 1
598 1 61 LEU QD 1 62 LEU H . . 7.970 3.786 3.278 3.985 . 0 0 "[ . 1 . 2]" 1
599 1 61 LEU QD 1 64 GLU QG . . 5.740 3.670 2.814 4.837 . 0 0 "[ . 1 . 2]" 1
600 1 61 LEU QD 1 113 TRP HH2 . . 8.100 2.415 1.811 3.760 . 0 0 "[ . 1 . 2]" 1
601 1 61 LEU QD 1 113 TRP HZ2 . . 7.110 3.489 2.438 4.919 . 0 0 "[ . 1 . 2]" 1
602 1 61 LEU QD 1 113 TRP HZ3 . . 5.740 2.763 1.764 3.635 . 0 0 "[ . 1 . 2]" 1
603 1 61 LEU MD1 1 64 GLU HG2 . . 7.010 4.960 3.347 7.034 0.024 13 0 "[ . 1 . 2]" 1
604 1 61 LEU MD1 1 64 GLU HG3 . . 7.010 4.680 3.193 6.794 . 0 0 "[ . 1 . 2]" 1
605 1 61 LEU MD2 1 64 GLU HG2 . . 7.010 5.349 4.046 7.012 0.002 2 0 "[ . 1 . 2]" 1
606 1 61 LEU MD2 1 64 GLU HG3 . . 7.010 5.178 3.726 6.844 . 0 0 "[ . 1 . 2]" 1
607 1 61 LEU HG 1 62 LEU H . . 5.500 4.635 3.589 5.218 . 0 0 "[ . 1 . 2]" 1
608 1 62 LEU H 1 62 LEU HB2 . . 4.040 2.368 2.059 2.601 . 0 0 "[ . 1 . 2]" 1
609 1 62 LEU H 1 62 LEU QB . . 3.540 2.208 2.040 2.543 . 0 0 "[ . 1 . 2]" 1
610 1 62 LEU H 1 62 LEU HB3 . . 4.040 2.794 2.466 3.585 . 0 0 "[ . 1 . 2]" 1
611 1 62 LEU H 1 63 ARG H . . 3.420 2.800 2.574 3.020 . 0 0 "[ . 1 . 2]" 1
612 1 62 LEU QB 1 63 ARG H . . 3.660 2.670 2.273 3.348 . 0 0 "[ . 1 . 2]" 1
613 1 62 LEU QB 1 70 TRP HD1 . . 6.380 5.041 3.747 5.883 . 0 0 "[ . 1 . 2]" 1
614 1 62 LEU HB2 1 63 ARG H . . 3.920 3.706 2.798 3.971 0.051 7 0 "[ . 1 . 2]" 1
615 1 62 LEU HB3 1 63 ARG H . . 3.920 2.850 2.303 3.917 . 0 0 "[ . 1 . 2]" 1
616 1 62 LEU QD 1 63 ARG QG . . 7.490 3.997 2.590 5.293 . 0 0 "[ . 1 . 2]" 1
617 1 63 ARG H 1 63 ARG QB . . 3.440 2.471 2.122 2.962 . 0 0 "[ . 1 . 2]" 1
618 1 63 ARG H 1 63 ARG HD2 . . 5.500 4.407 3.782 5.308 . 0 0 "[ . 1 . 2]" 1
619 1 63 ARG H 1 63 ARG HD3 . . 5.500 4.352 2.534 5.038 . 0 0 "[ . 1 . 2]" 1
620 1 63 ARG H 1 63 ARG HG2 . . 3.950 3.210 1.968 4.051 0.101 1 0 "[ . 1 . 2]" 1
621 1 63 ARG H 1 63 ARG HG3 . . 3.950 2.761 1.773 4.045 0.095 14 0 "[ . 1 . 2]" 1
622 1 63 ARG H 1 64 GLU H . . 3.170 2.533 2.223 2.880 . 0 0 "[ . 1 . 2]" 1
623 1 63 ARG HA 1 63 ARG QG . . 3.840 2.673 2.216 3.400 . 0 0 "[ . 1 . 2]" 1
624 1 63 ARG QG 1 64 GLU H . . 6.380 3.935 2.349 4.549 . 0 0 "[ . 1 . 2]" 1
625 1 64 GLU H 1 64 GLU HB2 . . 3.520 2.998 2.345 3.757 0.237 6 0 "[ . 1 . 2]" 1
626 1 64 GLU H 1 64 GLU QB . . 3.150 2.572 2.273 3.036 . 0 0 "[ . 1 . 2]" 1
627 1 64 GLU H 1 64 GLU HB3 . . 3.520 3.157 2.537 3.647 0.127 15 0 "[ . 1 . 2]" 1
628 1 64 GLU H 1 64 GLU QG . . 4.490 2.683 1.877 4.208 . 0 0 "[ . 1 . 2]" 1
629 1 64 GLU H 1 65 PHE H . . 3.080 2.466 1.838 2.884 . 0 0 "[ . 1 . 2]" 1
630 1 64 GLU QB 1 65 PHE H . . 4.550 3.505 1.883 4.033 . 0 0 "[ . 1 . 2]" 1
631 1 64 GLU HB2 1 65 PHE H . . 5.220 3.941 1.968 4.471 . 0 0 "[ . 1 . 2]" 1
632 1 64 GLU HB3 1 65 PHE H . . 5.220 4.082 2.399 4.627 . 0 0 "[ . 1 . 2]" 1
633 1 64 GLU QG 1 113 TRP HH2 . . 6.380 3.021 2.131 4.691 . 0 0 "[ . 1 . 2]" 1
634 1 64 GLU QG 1 113 TRP HZ2 . . 5.360 3.756 2.071 5.380 0.020 15 0 "[ . 1 . 2]" 1
635 1 65 PHE H 1 65 PHE QB . . 3.420 2.272 2.082 2.586 . 0 0 "[ . 1 . 2]" 1
636 1 65 PHE H 1 65 PHE HD1 . . 5.160 4.449 3.265 5.218 0.058 4 0 "[ . 1 . 2]" 1
637 1 65 PHE HA 1 65 PHE HD1 . . 4.970 2.948 2.118 3.518 . 0 0 "[ . 1 . 2]" 1
638 1 65 PHE HA 1 67 GLN H . . 4.410 3.480 3.138 3.800 . 0 0 "[ . 1 . 2]" 1
639 1 65 PHE QB 1 68 PHE QD . . 5.500 4.058 3.511 4.375 . 0 0 "[ . 1 . 2]" 1
640 1 65 PHE QB 1 70 TRP HE1 . . 3.980 3.383 2.694 3.637 . 0 0 "[ . 1 . 2]" 1
641 1 65 PHE QB 1 70 TRP HZ2 . . 5.500 3.834 2.843 4.881 . 0 0 "[ . 1 . 2]" 1
642 1 65 PHE HZ 1 67 GLN HB2 . . 5.160 4.635 4.158 5.193 0.033 17 0 "[ . 1 . 2]" 1
643 1 65 PHE HZ 1 67 GLN HB3 . . 5.500 5.374 4.613 5.596 0.096 2 0 "[ . 1 . 2]" 1
644 1 65 PHE HZ 1 67 GLN QG . . 6.380 4.510 3.476 5.626 . 0 0 "[ . 1 . 2]" 1
645 1 65 PHE HZ 1 116 LEU MD2 . . 4.730 4.770 4.570 4.821 0.091 2 0 "[ . 1 . 2]" 1
646 1 65 PHE HZ 1 124 VAL MG1 . . 5.880 4.591 2.625 5.934 0.054 3 0 "[ . 1 . 2]" 1
647 1 65 PHE HZ 1 124 VAL MG2 . . 5.880 3.383 2.814 4.688 . 0 0 "[ . 1 . 2]" 1
648 1 67 GLN H 1 67 GLN HB2 . . 3.830 2.364 2.195 2.612 . 0 0 "[ . 1 . 2]" 1
649 1 67 GLN H 1 67 GLN HB3 . . 4.010 3.334 2.761 3.758 . 0 0 "[ . 1 . 2]" 1
650 1 67 GLN H 1 67 GLN HG2 . . 5.500 3.346 2.329 4.431 . 0 0 "[ . 1 . 2]" 1
651 1 67 GLN H 1 67 GLN HG3 . . 5.500 4.220 3.715 4.709 . 0 0 "[ . 1 . 2]" 1
652 1 67 GLN H 1 68 PHE H . . 3.490 2.514 2.012 2.876 . 0 0 "[ . 1 . 2]" 1
653 1 67 GLN HB2 1 67 GLN HG2 . . 2.800 2.457 2.405 2.527 . 0 0 "[ . 1 . 2]" 1
654 1 67 GLN HB2 1 67 GLN QG . . 2.520 2.161 2.154 2.164 . 0 0 "[ . 1 . 2]" 1
655 1 67 GLN HB2 1 67 GLN HG3 . . 2.800 2.399 2.335 2.444 . 0 0 "[ . 1 . 2]" 1
656 1 67 GLN HB2 1 68 PHE H . . 4.350 2.938 2.236 3.674 . 0 0 "[ . 1 . 2]" 1
657 1 67 GLN HB3 1 68 PHE H . . 4.110 3.004 1.807 4.073 . 0 0 "[ . 1 . 2]" 1
658 1 67 GLN QG 1 68 PHE H . . 4.740 4.200 3.818 4.761 0.021 3 0 "[ . 1 . 2]" 1
659 1 68 PHE H 1 68 PHE QE . . 5.500 4.420 3.701 5.225 . 0 0 "[ . 1 . 2]" 1
660 1 68 PHE HA 1 69 ASP H . . 3.550 2.401 2.157 2.756 . 0 0 "[ . 1 . 2]" 1
661 1 68 PHE QB 1 70 TRP H . . 5.820 4.211 2.070 5.656 . 0 0 "[ . 1 . 2]" 1
662 1 68 PHE QD 1 99 THR MG . . 6.430 3.932 2.997 5.120 . 0 0 "[ . 1 . 2]" 1
663 1 68 PHE HZ 1 99 THR HB . . 5.500 4.808 3.564 5.527 0.027 16 0 "[ . 1 . 2]" 1
664 1 68 PHE HZ 1 124 VAL HB . . 4.760 3.979 2.627 4.845 0.085 15 0 "[ . 1 . 2]" 1
665 1 68 PHE HZ 1 124 VAL MG2 . . 5.750 3.394 1.891 4.712 . 0 0 "[ . 1 . 2]" 1
666 1 69 ASP H 1 69 ASP HB2 . . 4.040 2.839 2.387 3.769 . 0 0 "[ . 1 . 2]" 1
667 1 69 ASP H 1 69 ASP QB . . 3.870 2.461 2.249 2.895 . 0 0 "[ . 1 . 2]" 1
668 1 69 ASP H 1 69 ASP HB3 . . 4.040 3.030 2.331 3.689 . 0 0 "[ . 1 . 2]" 1
669 1 69 ASP H 1 70 TRP H . . 4.410 3.871 2.381 4.457 0.047 9 0 "[ . 1 . 2]" 1
670 1 69 ASP HA 1 70 TRP H . . 3.140 2.334 2.116 2.908 . 0 0 "[ . 1 . 2]" 1
671 1 70 TRP H 1 70 TRP HB2 . . 3.800 3.723 3.553 3.906 0.106 13 0 "[ . 1 . 2]" 1
672 1 70 TRP H 1 70 TRP QB . . 3.410 2.984 2.521 3.296 . 0 0 "[ . 1 . 2]" 1
673 1 70 TRP H 1 70 TRP HB3 . . 3.800 3.153 2.579 3.558 . 0 0 "[ . 1 . 2]" 1
674 1 70 TRP H 1 70 TRP HD1 . . 3.580 1.923 1.725 2.446 . 0 0 "[ . 1 . 2]" 1
675 1 70 TRP H 1 70 TRP HE1 . . 4.660 4.099 3.842 4.337 . 0 0 "[ . 1 . 2]" 1
676 1 70 TRP H 1 71 GLN H . . 4.850 4.478 4.361 4.605 . 0 0 "[ . 1 . 2]" 1
677 1 70 TRP HA 1 70 TRP HE3 . . 5.380 5.011 4.834 5.076 . 0 0 "[ . 1 . 2]" 1
678 1 70 TRP HA 1 71 GLN H . . 2.800 2.422 2.238 2.668 . 0 0 "[ . 1 . 2]" 1
679 1 70 TRP HA 1 71 GLN HA . . 5.250 4.306 4.185 4.385 . 0 0 "[ . 1 . 2]" 1
680 1 70 TRP QB 1 70 TRP HZ3 . . 5.920 4.647 4.617 4.666 . 0 0 "[ . 1 . 2]" 1
681 1 70 TRP HB2 1 71 GLN H . . 3.950 2.319 1.809 2.702 . 0 0 "[ . 1 . 2]" 1
682 1 70 TRP HB3 1 71 GLN H . . 3.950 3.570 3.325 3.833 . 0 0 "[ . 1 . 2]" 1
683 1 70 TRP HE3 1 71 GLN H . . 5.500 5.135 4.425 5.526 0.026 6 0 "[ . 1 . 2]" 1
684 1 70 TRP HH2 1 97 VAL MG1 . . 5.570 3.135 1.949 3.948 . 0 0 "[ . 1 . 2]" 1
685 1 70 TRP HH2 1 99 THR MG . . 5.690 5.179 3.902 5.747 0.057 5 0 "[ . 1 . 2]" 1
686 1 70 TRP HH2 1 124 VAL MG1 . . 6.000 5.468 3.747 6.050 0.050 18 0 "[ . 1 . 2]" 1
687 1 70 TRP HH2 1 124 VAL MG2 . . 6.530 5.494 4.331 6.457 . 0 0 "[ . 1 . 2]" 1
688 1 70 TRP HZ3 1 97 VAL MG1 . . 5.190 1.949 1.757 2.402 . 0 0 "[ . 1 . 2]" 1
689 1 70 TRP HZ3 1 99 THR MG . . 5.350 3.341 2.148 4.126 . 0 0 "[ . 1 . 2]" 1
690 1 71 GLN H 1 71 GLN QB . . 3.700 2.437 2.327 3.039 . 0 0 "[ . 1 . 2]" 1
691 1 71 GLN H 1 71 GLN QG . . 4.430 3.179 1.835 3.625 . 0 0 "[ . 1 . 2]" 1
692 1 71 GLN HA 1 72 VAL H . . 2.900 2.155 2.090 2.258 . 0 0 "[ . 1 . 2]" 1
693 1 71 GLN QB 1 72 VAL H . . 4.350 3.204 2.755 3.501 . 0 0 "[ . 1 . 2]" 1
694 1 71 GLN HB2 1 72 VAL H . . 5.000 4.207 3.571 4.407 . 0 0 "[ . 1 . 2]" 1
695 1 71 GLN HB3 1 72 VAL H . . 5.000 3.338 2.808 3.743 . 0 0 "[ . 1 . 2]" 1
696 1 71 GLN QG 1 72 VAL H . . 4.710 4.135 3.742 4.722 0.012 15 0 "[ . 1 . 2]" 1
697 1 72 VAL H 1 72 VAL MG1 . . 4.760 3.225 1.832 3.831 . 0 0 "[ . 1 . 2]" 1
698 1 72 VAL H 1 72 VAL MG2 . . 4.760 2.658 1.844 3.875 . 0 0 "[ . 1 . 2]" 1
699 1 72 VAL H 1 73 ALA H . . 4.760 4.435 4.121 4.541 . 0 0 "[ . 1 . 2]" 1
700 1 72 VAL HA 1 73 ALA H . . 2.650 2.159 2.133 2.202 . 0 0 "[ . 1 . 2]" 1
701 1 72 VAL HA 1 73 ALA HA . . 5.500 4.403 4.384 4.437 . 0 0 "[ . 1 . 2]" 1
702 1 72 VAL MG1 1 73 ALA H . . 5.190 3.191 2.549 4.214 . 0 0 "[ . 1 . 2]" 1
703 1 72 VAL MG2 1 73 ALA H . . 6.280 3.703 2.419 4.197 . 0 0 "[ . 1 . 2]" 1
704 1 73 ALA H 1 74 VAL H . . 4.540 4.413 4.324 4.484 . 0 0 "[ . 1 . 2]" 1
705 1 73 ALA HA 1 74 VAL H . . 2.710 2.297 2.174 2.526 . 0 0 "[ . 1 . 2]" 1
706 1 73 ALA HA 1 74 VAL MG1 . . 6.060 3.447 3.196 3.674 . 0 0 "[ . 1 . 2]" 1
707 1 73 ALA MB 1 74 VAL HA . . 6.530 4.002 3.932 4.178 . 0 0 "[ . 1 . 2]" 1
708 1 74 VAL H 1 74 VAL MG2 . . 4.360 3.426 2.168 3.994 . 0 0 "[ . 1 . 2]" 1
709 1 74 VAL HA 1 75 ALA H . . 3.110 2.280 2.185 2.433 . 0 0 "[ . 1 . 2]" 1
710 1 74 VAL HA 1 75 ALA MB . . 5.380 3.945 3.788 4.045 . 0 0 "[ . 1 . 2]" 1
711 1 74 VAL HB 1 75 ALA H . . 4.110 3.602 2.497 4.115 0.005 10 0 "[ . 1 . 2]" 1
712 1 74 VAL MG1 1 75 ALA H . . 6.530 3.832 3.414 4.060 . 0 0 "[ . 1 . 2]" 1
713 1 74 VAL MG1 1 75 ALA MB . . 7.560 4.881 4.485 5.166 . 0 0 "[ . 1 . 2]" 1
714 1 74 VAL MG2 1 75 ALA H . . 5.690 2.646 1.941 3.661 . 0 0 "[ . 1 . 2]" 1
715 1 75 ALA HA 1 76 ASP H . . 3.360 2.333 2.173 2.883 . 0 0 "[ . 1 . 2]" 1
716 1 75 ALA MB 1 79 GLN QB . . 6.040 2.264 1.747 3.555 . 0 0 "[ . 1 . 2]" 1
717 1 75 ALA MB 1 80 SER H . . 5.660 3.255 2.534 4.393 . 0 0 "[ . 1 . 2]" 1
718 1 75 ALA MB 1 80 SER HA . . 5.130 3.094 2.484 4.426 . 0 0 "[ . 1 . 2]" 1
719 1 75 ALA MB 1 83 ILE MD . . 6.130 2.174 1.834 2.601 . 0 0 "[ . 1 . 2]" 1
720 1 75 ALA MB 1 83 ILE MG . . 7.560 4.078 3.496 4.539 . 0 0 "[ . 1 . 2]" 1
721 1 77 LEU H 1 77 LEU MD1 . . 5.540 4.192 2.886 4.609 . 0 0 "[ . 1 . 2]" 1
722 1 77 LEU H 1 78 GLU H . . 3.420 2.504 1.887 3.827 0.407 4 0 "[ . 1 . 2]" 1
723 1 77 LEU QB 1 78 GLU H . . 4.190 2.638 1.924 3.551 . 0 0 "[ . 1 . 2]" 1
724 1 77 LEU QB 1 78 GLU HB3 . . 6.380 5.074 4.290 5.799 . 0 0 "[ . 1 . 2]" 1
725 1 77 LEU HB2 1 78 GLU H . . 4.660 3.377 2.010 3.984 . 0 0 "[ . 1 . 2]" 1
726 1 77 LEU HB3 1 78 GLU H . . 4.660 3.029 1.934 4.262 . 0 0 "[ . 1 . 2]" 1
727 1 78 GLU H 1 78 GLU HB2 . . 2.990 2.460 2.120 2.659 . 0 0 "[ . 1 . 2]" 1
728 1 78 GLU H 1 78 GLU HB3 . . 3.390 2.882 2.447 3.552 0.162 11 0 "[ . 1 . 2]" 1
729 1 78 GLU H 1 78 GLU HG2 . . 4.820 4.124 2.062 4.615 . 0 0 "[ . 1 . 2]" 1
730 1 78 GLU H 1 78 GLU HG3 . . 4.820 4.061 1.842 4.568 . 0 0 "[ . 1 . 2]" 1
731 1 78 GLU H 1 79 GLN H . . 3.390 2.562 2.386 2.842 . 0 0 "[ . 1 . 2]" 1
732 1 78 GLU HA 1 78 GLU HB3 . . 2.930 2.848 2.392 3.018 0.088 20 0 "[ . 1 . 2]" 1
733 1 78 GLU HA 1 78 GLU QG . . 3.880 2.504 2.326 2.983 . 0 0 "[ . 1 . 2]" 1
734 1 78 GLU HB2 1 79 GLN H . . 4.140 3.450 2.269 3.995 . 0 0 "[ . 1 . 2]" 1
735 1 78 GLU HB3 1 79 GLN H . . 3.860 2.929 2.370 3.876 0.016 19 0 "[ . 1 . 2]" 1
736 1 78 GLU QG 1 79 GLN H . . 6.380 3.959 3.464 4.615 . 0 0 "[ . 1 . 2]" 1
737 1 79 GLN H 1 79 GLN QB . . 3.660 2.394 2.099 2.668 . 0 0 "[ . 1 . 2]" 1
738 1 79 GLN H 1 79 GLN HG2 . . 5.160 3.378 1.874 4.580 . 0 0 "[ . 1 . 2]" 1
739 1 79 GLN H 1 79 GLN HG3 . . 5.160 3.346 1.746 4.501 . 0 0 "[ . 1 . 2]" 1
740 1 79 GLN H 1 80 SER H . . 3.270 2.647 2.414 2.845 . 0 0 "[ . 1 . 2]" 1
741 1 79 GLN HA 1 82 ALA H . . 4.040 3.450 2.965 3.855 . 0 0 "[ . 1 . 2]" 1
742 1 79 GLN HA 1 82 ALA MB . . 4.610 2.968 2.204 3.803 . 0 0 "[ . 1 . 2]" 1
743 1 79 GLN QB 1 83 ILE MG . . 6.170 5.137 4.450 5.971 . 0 0 "[ . 1 . 2]" 1
744 1 79 GLN HB2 1 80 SER H . . 3.950 3.091 2.677 4.011 0.061 4 0 "[ . 1 . 2]" 1
745 1 79 GLN HB3 1 80 SER H . . 3.950 3.698 2.723 4.195 0.245 19 0 "[ . 1 . 2]" 1
746 1 80 SER H 1 80 SER HA . . 2.800 2.769 2.731 2.826 0.026 7 0 "[ . 1 . 2]" 1
747 1 80 SER H 1 80 SER QB . . 3.820 2.420 2.195 2.666 . 0 0 "[ . 1 . 2]" 1
748 1 80 SER H 1 81 GLU H . . 3.640 2.811 2.629 3.032 . 0 0 "[ . 1 . 2]" 1
749 1 80 SER H 1 82 ALA H . . 4.760 4.382 4.025 4.780 0.020 4 0 "[ . 1 . 2]" 1
750 1 80 SER HA 1 83 ILE H . . 4.010 3.553 2.973 3.891 . 0 0 "[ . 1 . 2]" 1
751 1 80 SER HA 1 83 ILE HB . . 4.200 2.747 1.879 3.159 . 0 0 "[ . 1 . 2]" 1
752 1 80 SER HA 1 83 ILE MD . . 6.530 2.778 1.972 3.411 . 0 0 "[ . 1 . 2]" 1
753 1 81 GLU H 1 81 GLU HB2 . . 2.800 2.500 2.301 2.625 . 0 0 "[ . 1 . 2]" 1
754 1 81 GLU H 1 81 GLU HB3 . . 3.080 2.567 2.416 2.706 . 0 0 "[ . 1 . 2]" 1
755 1 81 GLU H 1 82 ALA H . . 3.080 2.655 2.499 2.832 . 0 0 "[ . 1 . 2]" 1
756 1 81 GLU H 1 82 ALA MB . . 6.530 4.339 4.189 4.493 . 0 0 "[ . 1 . 2]" 1
757 1 81 GLU HA 1 81 GLU HB2 . . 2.830 2.484 2.417 2.561 . 0 0 "[ . 1 . 2]" 1
758 1 81 GLU HA 1 81 GLU HB3 . . 3.020 3.023 3.019 3.029 0.009 12 0 "[ . 1 . 2]" 1
759 1 81 GLU HB3 1 82 ALA H . . 2.830 2.541 2.276 2.806 . 0 0 "[ . 1 . 2]" 1
760 1 81 GLU QG 1 82 ALA H . . 5.600 3.675 3.395 4.200 . 0 0 "[ . 1 . 2]" 1
761 1 82 ALA H 1 82 ALA HA . . 2.930 2.832 2.803 2.871 . 0 0 "[ . 1 . 2]" 1
762 1 82 ALA H 1 83 ILE H . . 3.210 2.614 2.407 2.714 . 0 0 "[ . 1 . 2]" 1
763 1 82 ALA H 1 84 GLY H . . 4.630 4.175 3.842 4.442 . 0 0 "[ . 1 . 2]" 1
764 1 82 ALA HA 1 85 ASP HB2 . . 3.610 3.255 2.695 3.637 0.027 19 0 "[ . 1 . 2]" 1
765 1 82 ALA HA 1 85 ASP HB3 . . 3.610 2.749 2.282 3.212 . 0 0 "[ . 1 . 2]" 1
766 1 82 ALA HA 1 86 ARG H . . 4.660 4.251 3.863 4.694 0.034 16 0 "[ . 1 . 2]" 1
767 1 82 ALA MB 1 83 ILE QG . . 6.260 3.201 3.054 3.415 . 0 0 "[ . 1 . 2]" 1
768 1 82 ALA MB 1 84 GLY H . . 6.530 4.621 4.416 4.861 . 0 0 "[ . 1 . 2]" 1
769 1 82 ALA MB 1 85 ASP H . . 6.530 4.548 4.330 4.783 . 0 0 "[ . 1 . 2]" 1
770 1 82 ALA MB 1 85 ASP HB2 . . 6.530 4.760 4.309 5.080 . 0 0 "[ . 1 . 2]" 1
771 1 82 ALA MB 1 85 ASP HB3 . . 6.530 4.061 3.604 4.366 . 0 0 "[ . 1 . 2]" 1
772 1 83 ILE H 1 83 ILE HB . . 3.020 2.507 2.417 2.574 . 0 0 "[ . 1 . 2]" 1
773 1 83 ILE H 1 83 ILE MD . . 5.850 3.630 3.564 3.719 . 0 0 "[ . 1 . 2]" 1
774 1 83 ILE H 1 83 ILE HG12 . . 4.200 3.442 3.311 3.563 . 0 0 "[ . 1 . 2]" 1
775 1 83 ILE H 1 83 ILE QG . . 3.850 2.181 2.073 2.296 . 0 0 "[ . 1 . 2]" 1
776 1 83 ILE H 1 83 ILE HG13 . . 4.200 2.206 2.092 2.324 . 0 0 "[ . 1 . 2]" 1
777 1 83 ILE H 1 84 GLY H . . 3.140 2.658 2.560 2.774 . 0 0 "[ . 1 . 2]" 1
778 1 83 ILE H 1 85 ASP H . . 4.260 3.961 3.757 4.134 . 0 0 "[ . 1 . 2]" 1
779 1 83 ILE H 1 86 ARG H . . 5.030 4.739 4.546 5.016 . 0 0 "[ . 1 . 2]" 1
780 1 83 ILE HA 1 86 ARG H . . 3.640 3.450 3.229 3.690 0.050 4 0 "[ . 1 . 2]" 1
781 1 83 ILE HB 1 84 GLY H . . 3.270 2.558 2.389 2.662 . 0 0 "[ . 1 . 2]" 1
782 1 83 ILE MD 1 84 GLY H . . 6.530 4.566 4.370 4.674 . 0 0 "[ . 1 . 2]" 1
783 1 83 ILE QG 1 84 GLY H . . 4.830 4.015 3.883 4.111 . 0 0 "[ . 1 . 2]" 1
784 1 83 ILE HG12 1 84 GLY H . . 5.500 4.955 4.863 5.010 . 0 0 "[ . 1 . 2]" 1
785 1 83 ILE HG13 1 84 GLY H . . 5.500 4.245 4.080 4.368 . 0 0 "[ . 1 . 2]" 1
786 1 83 ILE MG 1 84 GLY H . . 5.970 3.329 3.074 3.486 . 0 0 "[ . 1 . 2]" 1
787 1 83 ILE MG 1 86 ARG QG . . 5.890 4.177 3.768 4.965 . 0 0 "[ . 1 . 2]" 1
788 1 83 ILE MG 1 87 PHE QD . . 5.600 4.094 3.337 5.052 . 0 0 "[ . 1 . 2]" 1
789 1 83 ILE MG 1 87 PHE QE . . 4.610 2.520 1.725 3.555 . 0 0 "[ . 1 . 2]" 1
790 1 84 GLY H 1 84 GLY HA3 . . 2.710 2.297 2.290 2.306 . 0 0 "[ . 1 . 2]" 1
791 1 84 GLY H 1 85 ASP H . . 3.170 2.641 2.534 2.719 . 0 0 "[ . 1 . 2]" 1
792 1 84 GLY H 1 85 ASP QB . . 5.570 4.373 4.250 4.481 . 0 0 "[ . 1 . 2]" 1
793 1 84 GLY HA2 1 85 ASP H . . 3.640 3.496 3.456 3.533 . 0 0 "[ . 1 . 2]" 1
794 1 84 GLY HA2 1 89 VAL H . . 4.450 3.386 2.879 3.774 . 0 0 "[ . 1 . 2]" 1
795 1 84 GLY HA2 1 89 VAL HB . . 4.230 3.124 1.916 4.146 . 0 0 "[ . 1 . 2]" 1
796 1 84 GLY HA2 1 89 VAL QG . . 7.250 3.274 1.765 4.503 . 0 0 "[ . 1 . 2]" 1
797 1 84 GLY HA3 1 85 ASP H . . 3.330 2.885 2.762 2.976 . 0 0 "[ . 1 . 2]" 1
798 1 84 GLY HA3 1 89 VAL H . . 3.980 3.776 3.399 4.025 0.045 16 0 "[ . 1 . 2]" 1
799 1 84 GLY HA3 1 89 VAL HB . . 5.070 3.738 2.521 5.094 0.024 10 0 "[ . 1 . 2]" 1
800 1 84 GLY HA3 1 89 VAL QG . . 8.090 3.859 2.574 5.192 . 0 0 "[ . 1 . 2]" 1
801 1 85 ASP H 1 85 ASP HB2 . . 2.960 2.486 2.361 2.650 . 0 0 "[ . 1 . 2]" 1
802 1 85 ASP H 1 85 ASP QB . . 2.730 2.234 2.202 2.290 . 0 0 "[ . 1 . 2]" 1
803 1 85 ASP H 1 85 ASP HB3 . . 2.960 2.550 2.373 2.678 . 0 0 "[ . 1 . 2]" 1
804 1 85 ASP H 1 86 ARG H . . 3.110 2.491 2.326 2.693 . 0 0 "[ . 1 . 2]" 1
805 1 85 ASP H 1 87 PHE H . . 4.410 4.423 4.253 4.533 0.123 17 0 "[ . 1 . 2]" 1
806 1 85 ASP HA 1 88 ASN H . . 4.040 3.467 2.869 4.180 0.140 6 0 "[ . 1 . 2]" 1
807 1 85 ASP HA 1 89 VAL H . . 4.380 3.812 2.945 4.386 0.006 2 0 "[ . 1 . 2]" 1
808 1 85 ASP QB 1 86 ARG H . . 3.350 2.613 2.481 2.724 . 0 0 "[ . 1 . 2]" 1
809 1 85 ASP HB2 1 86 ARG H . . 3.700 3.822 3.775 3.906 0.206 14 0 "[ . 1 . 2]" 1
810 1 85 ASP HB3 1 86 ARG H . . 3.700 2.662 2.515 2.790 . 0 0 "[ . 1 . 2]" 1
811 1 86 ARG H 1 86 ARG HB2 . . 2.960 2.411 2.045 2.588 . 0 0 "[ . 1 . 2]" 1
812 1 86 ARG H 1 86 ARG HB3 . . 2.960 2.604 2.419 3.076 0.116 14 0 "[ . 1 . 2]" 1
813 1 86 ARG H 1 86 ARG HG2 . . 5.500 4.543 3.834 4.607 . 0 0 "[ . 1 . 2]" 1
814 1 86 ARG H 1 86 ARG HG3 . . 5.500 4.465 4.317 4.548 . 0 0 "[ . 1 . 2]" 1
815 1 86 ARG H 1 87 PHE H . . 2.990 2.936 2.774 3.035 0.045 19 0 "[ . 1 . 2]" 1
816 1 86 ARG QB 1 87 PHE H . . 3.440 2.486 2.337 2.737 . 0 0 "[ . 1 . 2]" 1
817 1 86 ARG QB 1 87 PHE QD . . 6.380 3.245 2.566 3.887 . 0 0 "[ . 1 . 2]" 1
818 1 86 ARG HB2 1 87 PHE H . . 3.760 3.806 3.470 3.880 0.120 5 0 "[ . 1 . 2]" 1
819 1 86 ARG HB3 1 87 PHE H . . 3.760 2.523 2.358 2.866 . 0 0 "[ . 1 . 2]" 1
820 1 86 ARG QG 1 87 PHE H . . 6.260 3.560 3.106 4.590 . 0 0 "[ . 1 . 2]" 1
821 1 86 ARG QG 1 87 PHE QD . . 5.200 3.039 2.152 4.488 . 0 0 "[ . 1 . 2]" 1
822 1 86 ARG QG 1 98 PHE HZ . . 6.380 6.179 5.424 6.448 0.068 18 0 "[ . 1 . 2]" 1
823 1 86 ARG QG 1 103 LEU MD1 . . 7.410 7.046 6.004 7.464 0.054 14 0 "[ . 1 . 2]" 1
824 1 87 PHE H 1 87 PHE QB . . 3.790 3.032 2.693 3.221 . 0 0 "[ . 1 . 2]" 1
825 1 87 PHE H 1 87 PHE QD . . 4.850 2.934 2.512 3.118 . 0 0 "[ . 1 . 2]" 1
826 1 87 PHE H 1 88 ASN H . . 2.800 2.328 1.850 2.842 0.042 4 0 "[ . 1 . 2]" 1
827 1 87 PHE H 1 89 VAL H . . 4.170 3.896 3.233 4.232 0.062 19 0 "[ . 1 . 2]" 1
828 1 87 PHE QB 1 89 VAL QG . . 7.040 3.116 1.950 4.624 . 0 0 "[ . 1 . 2]" 1
829 1 87 PHE QB 1 96 LEU QD . . 7.080 4.264 3.107 5.181 . 0 0 "[ . 1 . 2]" 1
830 1 87 PHE HB2 1 89 VAL MG1 . . 8.810 5.579 4.640 6.903 . 0 0 "[ . 1 . 2]" 1
831 1 87 PHE HB2 1 89 VAL MG2 . . 8.810 3.267 1.964 5.204 . 0 0 "[ . 1 . 2]" 1
832 1 87 PHE HB2 1 96 LEU MD1 . . 8.220 5.499 4.225 7.107 . 0 0 "[ . 1 . 2]" 1
833 1 87 PHE HB2 1 96 LEU MD2 . . 8.220 5.397 3.321 6.731 . 0 0 "[ . 1 . 2]" 1
834 1 87 PHE HB3 1 89 VAL MG1 . . 8.810 6.719 5.890 7.871 . 0 0 "[ . 1 . 2]" 1
835 1 87 PHE HB3 1 89 VAL MG2 . . 8.810 4.499 3.322 6.436 . 0 0 "[ . 1 . 2]" 1
836 1 87 PHE HB3 1 96 LEU MD1 . . 8.220 5.930 4.882 7.921 . 0 0 "[ . 1 . 2]" 1
837 1 87 PHE HB3 1 96 LEU MD2 . . 8.220 5.963 3.558 7.507 . 0 0 "[ . 1 . 2]" 1
838 1 87 PHE QD 1 88 ASN H . . 5.500 3.446 1.760 3.935 . 0 0 "[ . 1 . 2]" 1
839 1 87 PHE QD 1 96 LEU QD . . 8.100 3.363 2.733 3.995 . 0 0 "[ . 1 . 2]" 1
840 1 87 PHE QD 1 103 LEU MD1 . . 6.530 4.909 3.679 5.613 . 0 0 "[ . 1 . 2]" 1
841 1 87 PHE QD 1 103 LEU MD2 . . 5.190 3.390 2.948 4.337 . 0 0 "[ . 1 . 2]" 1
842 1 87 PHE QE 1 88 ASN H . . 5.500 5.147 3.856 5.485 . 0 0 "[ . 1 . 2]" 1
843 1 87 PHE QE 1 103 LEU MD1 . . 6.530 4.469 3.311 5.511 . 0 0 "[ . 1 . 2]" 1
844 1 87 PHE QE 1 103 LEU MD2 . . 5.690 3.682 2.645 4.922 . 0 0 "[ . 1 . 2]" 1
845 1 88 ASN H 1 88 ASN HA . . 2.560 2.394 2.245 2.735 0.175 4 0 "[ . 1 . 2]" 1
846 1 88 ASN H 1 88 ASN HB2 . . 3.890 3.291 3.001 4.071 0.181 12 0 "[ . 1 . 2]" 1
847 1 88 ASN H 1 88 ASN HB3 . . 3.920 3.625 3.368 4.089 0.169 16 0 "[ . 1 . 2]" 1
848 1 88 ASN H 1 89 VAL H . . 3.110 2.622 1.651 3.162 0.052 18 0 "[ . 1 . 2]" 1
849 1 88 ASN HA 1 89 VAL H . . 2.990 2.624 2.292 3.016 0.026 16 0 "[ . 1 . 2]" 1
850 1 88 ASN HB2 1 89 VAL H . . 5.100 4.554 4.037 4.648 . 0 0 "[ . 1 . 2]" 1
851 1 88 ASN HB3 1 89 VAL H . . 4.690 4.332 4.012 4.584 . 0 0 "[ . 1 . 2]" 1
852 1 89 VAL H 1 89 VAL HB . . 2.830 2.718 2.493 2.823 . 0 0 "[ . 1 . 2]" 1
853 1 89 VAL HB 1 94 ALA MB . . 6.530 5.660 4.163 6.584 0.054 10 0 "[ . 1 . 2]" 1
854 1 89 VAL QG 1 94 ALA HA . . 8.090 5.969 4.562 7.458 . 0 0 "[ . 1 . 2]" 1
855 1 89 VAL QG 1 94 ALA MB . . 6.690 3.515 2.140 4.747 . 0 0 "[ . 1 . 2]" 1
856 1 89 VAL QG 1 98 PHE HZ . . 7.840 5.863 4.655 7.567 . 0 0 "[ . 1 . 2]" 1
857 1 89 VAL QG 1 106 ALA MB . . 6.620 3.569 2.159 4.349 . 0 0 "[ . 1 . 2]" 1
858 1 89 VAL MG1 1 94 ALA MB . . 7.560 3.627 2.164 4.861 . 0 0 "[ . 1 . 2]" 1
859 1 89 VAL MG1 1 106 ALA MB . . 7.560 3.931 2.175 5.287 . 0 0 "[ . 1 . 2]" 1
860 1 89 VAL MG2 1 94 ALA MB . . 7.560 5.053 3.373 6.647 . 0 0 "[ . 1 . 2]" 1
861 1 89 VAL MG2 1 106 ALA MB . . 7.560 4.332 3.546 5.487 . 0 0 "[ . 1 . 2]" 1
862 1 93 PRO HB2 1 94 ALA H . . 4.010 3.825 3.035 4.110 0.100 8 0 "[ . 1 . 2]" 1
863 1 94 ALA H 1 95 THR H . . 5.070 4.361 4.246 4.489 . 0 0 "[ . 1 . 2]" 1
864 1 94 ALA HA 1 95 THR H . . 2.770 2.510 2.210 2.827 0.057 13 0 "[ . 1 . 2]" 1
865 1 94 ALA HA 1 95 THR HB . . 5.500 4.893 4.699 5.280 . 0 0 "[ . 1 . 2]" 1
866 1 94 ALA MB 1 95 THR HB . . 6.000 4.555 3.993 5.124 . 0 0 "[ . 1 . 2]" 1
867 1 94 ALA MB 1 106 ALA MB . . 7.560 2.784 2.121 3.690 . 0 0 "[ . 1 . 2]" 1
868 1 95 THR H 1 95 THR HB . . 3.210 2.702 2.580 2.860 . 0 0 "[ . 1 . 2]" 1
869 1 95 THR H 1 96 LEU H . . 5.100 4.297 4.197 4.418 . 0 0 "[ . 1 . 2]" 1
870 1 95 THR H 1 106 ALA MB . . 6.340 3.785 3.172 5.106 . 0 0 "[ . 1 . 2]" 1
871 1 95 THR H 1 107 LEU H . . 3.140 3.179 2.946 3.319 0.179 16 0 "[ . 1 . 2]" 1
872 1 95 THR H 1 107 LEU HB2 . . 4.510 3.941 2.413 4.581 0.071 10 0 "[ . 1 . 2]" 1
873 1 95 THR H 1 107 LEU HB3 . . 5.380 4.142 3.034 5.313 . 0 0 "[ . 1 . 2]" 1
874 1 95 THR HA 1 96 LEU H . . 2.770 2.177 2.155 2.209 . 0 0 "[ . 1 . 2]" 1
875 1 95 THR HB 1 96 LEU H . . 4.690 4.199 4.035 4.301 . 0 0 "[ . 1 . 2]" 1
876 1 95 THR HB 1 107 LEU H . . 5.470 3.288 2.729 3.882 . 0 0 "[ . 1 . 2]" 1
877 1 95 THR HB 1 107 LEU HB2 . . 4.540 2.763 1.774 3.673 . 0 0 "[ . 1 . 2]" 1
878 1 95 THR MG 1 96 LEU H . . 4.760 2.907 2.645 3.021 . 0 0 "[ . 1 . 2]" 1
879 1 95 THR MG 1 107 LEU HG . . 6.530 4.637 3.668 6.536 0.006 17 0 "[ . 1 . 2]" 1
880 1 96 LEU H 1 96 LEU HB2 . . 3.170 2.446 2.289 2.541 . 0 0 "[ . 1 . 2]" 1
881 1 96 LEU H 1 96 LEU HB3 . . 3.580 3.626 3.544 3.678 0.098 2 0 "[ . 1 . 2]" 1
882 1 96 LEU H 1 96 LEU HG . . 3.580 3.131 2.387 3.892 0.312 5 0 "[ . 1 . 2]" 1
883 1 96 LEU H 1 97 VAL H . . 4.760 4.503 4.411 4.558 . 0 0 "[ . 1 . 2]" 1
884 1 96 LEU HA 1 96 LEU MD1 . . 4.760 3.360 2.040 3.920 . 0 0 "[ . 1 . 2]" 1
885 1 96 LEU HA 1 96 LEU MD2 . . 4.760 2.658 1.934 3.642 . 0 0 "[ . 1 . 2]" 1
886 1 96 LEU HA 1 97 VAL H . . 2.620 2.167 2.120 2.227 . 0 0 "[ . 1 . 2]" 1
887 1 96 LEU HA 1 106 ALA HA . . 3.330 2.135 1.765 2.504 . 0 0 "[ . 1 . 2]" 1
888 1 96 LEU HA 1 106 ALA MB . . 6.530 2.897 2.353 3.485 . 0 0 "[ . 1 . 2]" 1
889 1 96 LEU HB2 1 97 VAL H . . 5.380 4.100 3.971 4.217 . 0 0 "[ . 1 . 2]" 1
890 1 96 LEU HB2 1 98 PHE HD1 . . 5.500 3.849 3.331 6.176 0.676 8 1 "[ . + 1 . 2]" 1
891 1 96 LEU HB2 1 98 PHE QE . . 5.380 1.862 1.628 2.106 . 0 0 "[ . 1 . 2]" 1
892 1 96 LEU HB3 1 97 VAL H . . 3.270 3.087 2.815 3.292 0.022 9 0 "[ . 1 . 2]" 1
893 1 96 LEU HB3 1 98 PHE HD1 . . 5.440 4.107 3.899 5.649 0.209 8 0 "[ . 1 . 2]" 1
894 1 96 LEU HB3 1 103 LEU MD1 . . 6.160 2.022 1.782 2.852 . 0 0 "[ . 1 . 2]" 1
895 1 96 LEU QD 1 97 VAL H . . 8.100 3.666 3.199 4.260 . 0 0 "[ . 1 . 2]" 1
896 1 96 LEU QD 1 98 PHE QE . . 8.100 3.009 2.475 3.737 . 0 0 "[ . 1 . 2]" 1
897 1 96 LEU QD 1 103 LEU MD1 . . 6.640 2.198 1.791 2.675 . 0 0 "[ . 1 . 2]" 1
898 1 96 LEU QD 1 103 LEU MD2 . . 6.300 2.359 1.861 3.296 . 0 0 "[ . 1 . 2]" 1
899 1 96 LEU QD 1 106 ALA HA . . 7.230 3.157 2.395 3.971 . 0 0 "[ . 1 . 2]" 1
900 1 96 LEU MD1 1 103 LEU MD1 . . 7.210 3.133 1.794 4.253 . 0 0 "[ . 1 . 2]" 1
901 1 96 LEU MD2 1 103 LEU MD1 . . 7.210 2.588 1.950 4.046 . 0 0 "[ . 1 . 2]" 1
902 1 97 VAL H 1 97 VAL HB . . 2.930 2.533 2.439 2.627 . 0 0 "[ . 1 . 2]" 1
903 1 97 VAL H 1 97 VAL MG2 . . 4.080 2.392 2.316 2.466 . 0 0 "[ . 1 . 2]" 1
904 1 97 VAL H 1 98 PHE H . . 4.820 4.357 4.211 4.509 . 0 0 "[ . 1 . 2]" 1
905 1 97 VAL H 1 103 LEU MD1 . . 5.010 3.005 2.684 4.699 . 0 0 "[ . 1 . 2]" 1
906 1 97 VAL H 1 105 GLY H . . 3.640 3.225 3.006 3.526 . 0 0 "[ . 1 . 2]" 1
907 1 97 VAL H 1 105 GLY QA . . 5.020 4.084 3.412 4.422 . 0 0 "[ . 1 . 2]" 1
908 1 97 VAL H 1 106 ALA HA . . 3.550 2.743 2.346 3.423 . 0 0 "[ . 1 . 2]" 1
909 1 97 VAL H 1 106 ALA MB . . 6.530 3.954 3.308 4.864 . 0 0 "[ . 1 . 2]" 1
910 1 97 VAL HA 1 98 PHE H . . 2.680 2.139 2.123 2.157 . 0 0 "[ . 1 . 2]" 1
911 1 97 VAL HB 1 98 PHE H . . 5.220 4.290 4.192 4.369 . 0 0 "[ . 1 . 2]" 1
912 1 97 VAL HB 1 105 GLY H . . 4.540 2.882 2.148 3.559 . 0 0 "[ . 1 . 2]" 1
913 1 97 VAL MG1 1 98 PHE H . . 4.640 2.939 2.677 3.177 . 0 0 "[ . 1 . 2]" 1
914 1 97 VAL MG1 1 99 THR H . . 6.530 3.746 3.189 4.099 . 0 0 "[ . 1 . 2]" 1
915 1 97 VAL MG1 1 99 THR MG . . 7.180 2.627 1.860 4.193 . 0 0 "[ . 1 . 2]" 1
916 1 97 VAL MG1 1 105 GLY H . . 5.910 4.020 3.244 4.629 . 0 0 "[ . 1 . 2]" 1
917 1 97 VAL MG2 1 98 PHE H . . 4.760 4.124 3.953 4.220 . 0 0 "[ . 1 . 2]" 1
918 1 97 VAL MG2 1 99 THR MG . . 6.220 4.825 4.122 6.245 0.025 5 0 "[ . 1 . 2]" 1
919 1 97 VAL MG2 1 105 GLY H . . 5.600 4.195 3.765 4.679 . 0 0 "[ . 1 . 2]" 1
920 1 97 VAL MG2 1 105 GLY QA . . 6.690 4.172 2.895 5.301 . 0 0 "[ . 1 . 2]" 1
921 1 97 VAL MG2 1 106 ALA HA . . 5.130 3.031 2.172 4.581 . 0 0 "[ . 1 . 2]" 1
922 1 97 VAL MG2 1 106 ALA MB . . 7.560 4.337 3.711 5.578 . 0 0 "[ . 1 . 2]" 1
923 1 97 VAL MG2 1 107 LEU H . . 6.370 3.422 2.836 4.294 . 0 0 "[ . 1 . 2]" 1
924 1 97 VAL MG2 1 124 VAL MG1 . . 6.440 5.056 3.632 6.204 . 0 0 "[ . 1 . 2]" 1
925 1 97 VAL MG2 1 124 VAL MG2 . . 7.560 5.289 3.662 6.701 . 0 0 "[ . 1 . 2]" 1
926 1 98 PHE H 1 98 PHE HB2 . . 3.760 2.549 2.492 2.624 . 0 0 "[ . 1 . 2]" 1
927 1 98 PHE H 1 98 PHE HB3 . . 4.110 3.714 3.671 3.762 . 0 0 "[ . 1 . 2]" 1
928 1 98 PHE H 1 98 PHE HD1 . . 4.230 2.683 2.231 5.143 0.913 8 1 "[ . + 1 . 2]" 1
929 1 98 PHE H 1 99 THR H . . 4.230 4.200 3.935 4.329 0.099 12 0 "[ . 1 . 2]" 1
930 1 98 PHE HA 1 98 PHE HD1 . . 4.970 3.844 3.021 3.969 . 0 0 "[ . 1 . 2]" 1
931 1 98 PHE HA 1 99 THR H . . 2.680 2.141 2.089 2.219 . 0 0 "[ . 1 . 2]" 1
932 1 98 PHE HA 1 103 LEU HA . . 3.950 2.477 2.239 3.337 . 0 0 "[ . 1 . 2]" 1
933 1 98 PHE HA 1 103 LEU MD1 . . 6.530 3.255 2.926 4.056 . 0 0 "[ . 1 . 2]" 1
934 1 98 PHE HA 1 104 ARG H . . 3.450 2.886 2.690 3.255 . 0 0 "[ . 1 . 2]" 1
935 1 98 PHE HA 1 105 GLY H . . 4.630 4.612 4.216 4.731 0.101 10 0 "[ . 1 . 2]" 1
936 1 98 PHE HB2 1 99 THR H . . 4.480 4.340 4.221 4.481 0.001 18 0 "[ . 1 . 2]" 1
937 1 98 PHE HB3 1 99 THR H . . 3.800 3.581 3.308 3.861 0.061 2 0 "[ . 1 . 2]" 1
938 1 98 PHE HD1 1 103 LEU MD1 . . 6.530 3.766 3.487 4.631 . 0 0 "[ . 1 . 2]" 1
939 1 98 PHE QE 1 103 LEU HB2 . . 5.500 2.550 2.141 2.964 . 0 0 "[ . 1 . 2]" 1
940 1 98 PHE QE 1 103 LEU HB3 . . 5.500 4.197 3.749 4.642 . 0 0 "[ . 1 . 2]" 1
941 1 98 PHE QE 1 103 LEU MD1 . . 6.530 2.693 2.213 2.846 . 0 0 "[ . 1 . 2]" 1
942 1 98 PHE QE 1 103 LEU HG . . 5.500 4.905 4.704 5.051 . 0 0 "[ . 1 . 2]" 1
943 1 98 PHE HZ 1 103 LEU MD1 . . 6.530 2.768 2.564 3.012 . 0 0 "[ . 1 . 2]" 1
944 1 98 PHE HZ 1 103 LEU HG . . 5.500 5.576 5.548 5.604 0.104 3 0 "[ . 1 . 2]" 1
945 1 99 THR H 1 100 ASP H . . 5.500 4.368 4.293 4.445 . 0 0 "[ . 1 . 2]" 1
946 1 99 THR H 1 102 LYS H . . 3.450 3.373 3.124 3.529 0.079 9 0 "[ . 1 . 2]" 1
947 1 99 THR H 1 104 ARG H . . 4.690 3.485 3.112 3.697 . 0 0 "[ . 1 . 2]" 1
948 1 99 THR H 1 104 ARG QB . . 4.680 3.795 2.867 4.552 . 0 0 "[ . 1 . 2]" 1
949 1 99 THR HA 1 100 ASP H . . 2.680 2.300 2.134 2.519 . 0 0 "[ . 1 . 2]" 1
950 1 99 THR HA 1 101 GLY H . . 4.040 3.103 2.912 3.320 . 0 0 "[ . 1 . 2]" 1
951 1 99 THR HB 1 100 ASP H . . 3.490 2.845 2.261 3.577 0.087 5 0 "[ . 1 . 2]" 1
952 1 99 THR MG 1 100 ASP H . . 6.030 3.426 2.130 3.989 . 0 0 "[ . 1 . 2]" 1
953 1 99 THR MG 1 104 ARG QG . . 6.690 3.699 2.566 5.032 . 0 0 "[ . 1 . 2]" 1
954 1 100 ASP H 1 100 ASP HA . . 2.740 2.285 2.261 2.299 . 0 0 "[ . 1 . 2]" 1
955 1 100 ASP H 1 100 ASP HB2 . . 4.070 3.371 3.148 3.638 . 0 0 "[ . 1 . 2]" 1
956 1 100 ASP H 1 100 ASP QB . . 3.880 3.189 2.999 3.406 . 0 0 "[ . 1 . 2]" 1
957 1 100 ASP H 1 100 ASP HB3 . . 4.070 3.940 3.679 4.144 0.074 16 0 "[ . 1 . 2]" 1
958 1 100 ASP H 1 101 GLY H . . 3.490 2.530 2.436 2.613 . 0 0 "[ . 1 . 2]" 1
959 1 100 ASP H 1 102 LYS H . . 4.170 4.111 4.032 4.204 0.034 12 0 "[ . 1 . 2]" 1
960 1 100 ASP HA 1 101 GLY H . . 3.050 3.092 3.014 3.150 0.100 20 0 "[ . 1 . 2]" 1
961 1 100 ASP QB 1 101 GLY H . . 4.440 3.596 3.482 3.716 . 0 0 "[ . 1 . 2]" 1
962 1 100 ASP QB 1 102 LYS H . . 3.770 2.922 2.714 3.143 . 0 0 "[ . 1 . 2]" 1
963 1 100 ASP QB 1 102 LYS QD . . 7.250 3.355 2.084 4.768 . 0 0 "[ . 1 . 2]" 1
964 1 100 ASP HB2 1 101 GLY H . . 4.660 4.121 3.797 4.414 . 0 0 "[ . 1 . 2]" 1
965 1 100 ASP HB2 1 102 LYS H . . 4.040 3.688 2.937 4.255 0.215 20 0 "[ . 1 . 2]" 1
966 1 100 ASP HB3 1 101 GLY H . . 4.660 4.059 3.668 4.415 . 0 0 "[ . 1 . 2]" 1
967 1 100 ASP HB3 1 102 LYS H . . 4.040 3.448 2.746 4.160 0.120 13 0 "[ . 1 . 2]" 1
968 1 101 GLY H 1 102 LYS H . . 3.170 2.513 2.425 2.614 . 0 0 "[ . 1 . 2]" 1
969 1 102 LYS H 1 102 LYS HB2 . . 3.760 2.756 2.466 3.802 0.042 14 0 "[ . 1 . 2]" 1
970 1 102 LYS H 1 102 LYS QB . . 3.470 2.629 2.430 3.134 . 0 0 "[ . 1 . 2]" 1
971 1 102 LYS H 1 102 LYS HB3 . . 3.760 3.665 2.867 3.826 0.066 9 0 "[ . 1 . 2]" 1
972 1 102 LYS H 1 102 LYS HG2 . . 4.940 3.805 2.457 4.657 . 0 0 "[ . 1 . 2]" 1
973 1 102 LYS H 1 102 LYS QG . . 4.250 2.896 2.277 4.148 . 0 0 "[ . 1 . 2]" 1
974 1 102 LYS H 1 102 LYS HG3 . . 4.940 3.160 2.669 4.656 . 0 0 "[ . 1 . 2]" 1
975 1 102 LYS HA 1 102 LYS QG . . 3.850 2.589 2.286 3.355 . 0 0 "[ . 1 . 2]" 1
976 1 102 LYS HA 1 103 LEU H . . 2.430 2.325 2.162 2.492 0.062 15 0 "[ . 1 . 2]" 1
977 1 102 LYS QB 1 102 LYS QD . . 2.790 2.154 2.079 2.370 . 0 0 "[ . 1 . 2]" 1
978 1 102 LYS QB 1 103 LEU H . . 3.930 2.624 2.152 3.487 . 0 0 "[ . 1 . 2]" 1
979 1 102 LYS HB2 1 102 LYS HD2 . . 3.730 2.637 2.284 3.748 0.018 10 0 "[ . 1 . 2]" 1
980 1 102 LYS HB2 1 102 LYS HD3 . . 3.730 3.012 2.440 3.755 0.025 17 0 "[ . 1 . 2]" 1
981 1 102 LYS HB2 1 102 LYS HE2 . . 5.500 4.609 2.981 5.503 0.003 10 0 "[ . 1 . 2]" 1
982 1 102 LYS HB2 1 102 LYS HE3 . . 5.500 4.476 3.999 4.814 . 0 0 "[ . 1 . 2]" 1
983 1 102 LYS HB3 1 102 LYS HD2 . . 3.730 3.101 2.446 3.690 . 0 0 "[ . 1 . 2]" 1
984 1 102 LYS HB3 1 102 LYS HD3 . . 3.730 2.677 2.309 3.497 . 0 0 "[ . 1 . 2]" 1
985 1 102 LYS HB3 1 102 LYS HE2 . . 5.500 4.502 1.895 5.422 . 0 0 "[ . 1 . 2]" 1
986 1 102 LYS HB3 1 102 LYS HE3 . . 5.500 4.496 2.805 4.938 . 0 0 "[ . 1 . 2]" 1
987 1 102 LYS QG 1 103 LEU H . . 6.380 3.891 2.448 4.641 . 0 0 "[ . 1 . 2]" 1
988 1 103 LEU H 1 103 LEU QB . . 3.800 2.262 2.244 2.302 . 0 0 "[ . 1 . 2]" 1
989 1 103 LEU H 1 103 LEU HG . . 5.500 4.427 4.382 4.484 . 0 0 "[ . 1 . 2]" 1
990 1 103 LEU HA 1 103 LEU MD1 . . 4.540 2.082 1.995 2.141 . 0 0 "[ . 1 . 2]" 1
991 1 103 LEU HA 1 104 ARG H . . 2.900 2.146 2.125 2.165 . 0 0 "[ . 1 . 2]" 1
992 1 103 LEU HA 1 105 GLY H . . 4.110 3.835 3.610 4.140 0.030 18 0 "[ . 1 . 2]" 1
993 1 103 LEU QB 1 104 ARG H . . 5.510 3.852 3.754 3.950 . 0 0 "[ . 1 . 2]" 1
994 1 103 LEU MD1 1 104 ARG H . . 5.350 2.487 2.136 2.857 . 0 0 "[ . 1 . 2]" 1
995 1 103 LEU MD1 1 105 GLY H . . 4.610 2.633 2.307 3.053 . 0 0 "[ . 1 . 2]" 1
996 1 103 LEU MD2 1 104 ARG H . . 6.530 4.758 4.531 5.029 . 0 0 "[ . 1 . 2]" 1
997 1 103 LEU MD2 1 105 GLY H . . 6.530 4.578 4.133 5.175 . 0 0 "[ . 1 . 2]" 1
998 1 103 LEU HG 1 104 ARG H . . 5.500 3.497 3.217 3.877 . 0 0 "[ . 1 . 2]" 1
999 1 103 LEU HG 1 105 GLY H . . 5.470 3.301 2.716 3.945 . 0 0 "[ . 1 . 2]" 1
1000 1 104 ARG H 1 104 ARG QB . . 3.810 2.381 2.145 2.524 . 0 0 "[ . 1 . 2]" 1
1001 1 104 ARG H 1 105 GLY H . . 2.870 2.260 2.030 2.661 . 0 0 "[ . 1 . 2]" 1
1002 1 104 ARG HA 1 104 ARG QD . . 4.400 2.637 1.960 4.088 . 0 0 "[ . 1 . 2]" 1
1003 1 104 ARG QB 1 105 GLY H . . 3.730 2.703 2.091 3.158 . 0 0 "[ . 1 . 2]" 1
1004 1 104 ARG QB 1 123 ILE MD . . 5.770 3.315 1.776 4.471 . 0 0 "[ . 1 . 2]" 1
1005 1 104 ARG QB 1 123 ILE MG . . 6.190 2.129 1.774 3.351 . 0 0 "[ . 1 . 2]" 1
1006 1 104 ARG HB2 1 105 GLY H . . 3.950 2.896 2.117 3.997 0.047 17 0 "[ . 1 . 2]" 1
1007 1 104 ARG HB2 1 123 ILE MD . . 6.160 4.111 3.012 4.968 . 0 0 "[ . 1 . 2]" 1
1008 1 104 ARG HB2 1 123 ILE MG . . 6.340 2.749 1.970 3.992 . 0 0 "[ . 1 . 2]" 1
1009 1 104 ARG HB3 1 105 GLY H . . 3.950 3.575 2.826 3.968 0.018 12 0 "[ . 1 . 2]" 1
1010 1 104 ARG HB3 1 123 ILE MD . . 6.160 3.615 1.788 5.073 . 0 0 "[ . 1 . 2]" 1
1011 1 104 ARG HB3 1 123 ILE MG . . 6.340 2.275 1.812 3.600 . 0 0 "[ . 1 . 2]" 1
1012 1 104 ARG QG 1 105 GLY H . . 6.380 4.168 3.784 4.700 . 0 0 "[ . 1 . 2]" 1
1013 1 105 GLY H 1 106 ALA H . . 4.940 4.337 4.161 4.418 . 0 0 "[ . 1 . 2]" 1
1014 1 105 GLY QA 1 106 ALA MB . . 6.940 3.622 3.575 3.740 . 0 0 "[ . 1 . 2]" 1
1015 1 105 GLY QA 1 107 LEU QD . . 8.200 4.912 2.787 6.189 . 0 0 "[ . 1 . 2]" 1
1016 1 105 GLY HA2 1 106 ALA H . . 3.490 2.736 2.205 3.088 . 0 0 "[ . 1 . 2]" 1
1017 1 105 GLY HA3 1 106 ALA H . . 3.490 2.411 2.180 2.969 . 0 0 "[ . 1 . 2]" 1
1018 1 106 ALA HA 1 107 LEU H . . 2.830 2.276 2.161 2.424 . 0 0 "[ . 1 . 2]" 1
1019 1 107 LEU H 1 107 LEU HB2 . . 3.140 2.415 2.229 2.546 . 0 0 "[ . 1 . 2]" 1
1020 1 107 LEU H 1 108 SER H . . 4.630 4.017 2.039 4.505 . 0 0 "[ . 1 . 2]" 1
1021 1 107 LEU HB2 1 107 LEU HG . . 2.400 2.436 2.364 2.501 0.101 8 0 "[ . 1 . 2]" 1
1022 1 107 LEU HB3 1 107 LEU HG . . 2.710 2.424 2.339 2.522 . 0 0 "[ . 1 . 2]" 1
1023 1 107 LEU QD 1 119 LEU HG . . 6.920 4.576 2.844 6.528 . 0 0 "[ . 1 . 2]" 1
1024 1 110 ILE HB 1 110 ILE QG . . 2.710 2.333 2.185 2.455 . 0 0 "[ . 1 . 2]" 1
1025 1 113 TRP HA 1 113 TRP HE3 . . 4.790 3.709 2.589 4.381 . 0 0 "[ . 1 . 2]" 1
1026 1 113 TRP QB 1 114 ALA H . . 4.920 3.021 1.695 4.049 . 0 0 "[ . 1 . 2]" 1
1027 1 113 TRP HD1 1 114 ALA MB . . 6.530 4.432 3.409 5.700 . 0 0 "[ . 1 . 2]" 1
1028 1 113 TRP HD1 1 115 GLU H . . 5.500 5.370 3.320 5.611 0.111 18 0 "[ . 1 . 2]" 1
1029 1 113 TRP HE1 1 117 LEU MD2 . . 5.470 3.119 2.013 3.976 . 0 0 "[ . 1 . 2]" 1
1030 1 113 TRP HZ2 1 116 LEU MD2 . . 5.600 5.482 4.724 5.697 0.097 7 0 "[ . 1 . 2]" 1
1031 1 113 TRP HZ2 1 117 LEU MD2 . . 5.160 4.923 4.079 5.257 0.097 18 0 "[ . 1 . 2]" 1
1032 1 114 ALA H 1 115 GLU H . . 4.540 2.890 1.781 4.115 . 0 0 "[ . 1 . 2]" 1
1033 1 114 ALA HA 1 117 LEU QB . . 4.830 3.998 2.479 4.942 0.112 16 0 "[ . 1 . 2]" 1
1034 1 114 ALA MB 1 115 GLU QG . . 6.880 3.525 2.826 4.525 . 0 0 "[ . 1 . 2]" 1
1035 1 114 ALA MB 1 118 THR H . . 6.530 5.600 4.929 6.392 . 0 0 "[ . 1 . 2]" 1
1036 1 115 GLU H 1 115 GLU QG . . 4.490 2.222 1.744 3.343 . 0 0 "[ . 1 . 2]" 1
1037 1 115 GLU H 1 116 LEU H . . 3.050 2.487 2.130 2.881 . 0 0 "[ . 1 . 2]" 1
1038 1 115 GLU HA 1 115 GLU QG . . 3.790 3.095 2.346 3.512 . 0 0 "[ . 1 . 2]" 1
1039 1 115 GLU HB2 1 116 LEU H . . 5.500 3.491 2.600 4.209 . 0 0 "[ . 1 . 2]" 1
1040 1 115 GLU HB3 1 116 LEU H . . 5.500 4.093 3.660 4.356 . 0 0 "[ . 1 . 2]" 1
1041 1 115 GLU QG 1 116 LEU H . . 4.680 3.372 2.252 4.671 . 0 0 "[ . 1 . 2]" 1
1042 1 116 LEU H 1 116 LEU HB2 . . 3.700 2.259 2.052 2.447 . 0 0 "[ . 1 . 2]" 1
1043 1 116 LEU H 1 116 LEU QB . . 3.350 2.232 2.035 2.408 . 0 0 "[ . 1 . 2]" 1
1044 1 116 LEU H 1 116 LEU HB3 . . 3.700 3.507 3.341 3.589 . 0 0 "[ . 1 . 2]" 1
1045 1 116 LEU H 1 116 LEU MD1 . . 5.850 3.652 3.438 3.859 . 0 0 "[ . 1 . 2]" 1
1046 1 116 LEU H 1 116 LEU HG . . 3.270 2.792 2.349 3.332 0.062 6 0 "[ . 1 . 2]" 1
1047 1 116 LEU H 1 117 LEU H . . 3.210 2.752 2.565 2.901 . 0 0 "[ . 1 . 2]" 1
1048 1 116 LEU H 1 117 LEU QB . . 5.510 4.615 4.273 4.932 . 0 0 "[ . 1 . 2]" 1
1049 1 116 LEU HA 1 119 LEU H . . 3.980 3.393 3.047 3.906 . 0 0 "[ . 1 . 2]" 1
1050 1 116 LEU HA 1 120 MET H . . 3.610 3.496 2.707 3.686 0.076 4 0 "[ . 1 . 2]" 1
1051 1 116 LEU QB 1 117 LEU H . . 3.940 2.757 2.497 2.905 . 0 0 "[ . 1 . 2]" 1
1052 1 116 LEU HB2 1 117 LEU H . . 4.630 2.931 2.577 3.241 . 0 0 "[ . 1 . 2]" 1
1053 1 116 LEU HB3 1 117 LEU H . . 4.630 3.447 3.134 3.685 . 0 0 "[ . 1 . 2]" 1
1054 1 116 LEU MD2 1 117 LEU H . . 6.530 4.676 4.492 4.789 . 0 0 "[ . 1 . 2]" 1
1055 1 116 LEU MD2 1 120 MET H . . 4.640 4.057 3.418 4.637 . 0 0 "[ . 1 . 2]" 1
1056 1 117 LEU H 1 117 LEU HB2 . . 3.610 2.311 2.040 2.548 . 0 0 "[ . 1 . 2]" 1
1057 1 117 LEU H 1 117 LEU QB . . 3.300 2.266 2.021 2.497 . 0 0 "[ . 1 . 2]" 1
1058 1 117 LEU H 1 117 LEU HB3 . . 3.610 3.354 2.681 3.596 . 0 0 "[ . 1 . 2]" 1
1059 1 117 LEU H 1 117 LEU MD2 . . 5.100 2.848 1.781 3.911 . 0 0 "[ . 1 . 2]" 1
1060 1 117 LEU H 1 117 LEU HG . . 5.500 3.702 2.161 4.559 . 0 0 "[ . 1 . 2]" 1
1061 1 117 LEU H 1 118 THR H . . 3.300 2.674 2.545 2.966 . 0 0 "[ . 1 . 2]" 1
1062 1 117 LEU HA 1 117 LEU MD2 . . 4.330 2.269 1.864 2.906 . 0 0 "[ . 1 . 2]" 1
1063 1 117 LEU QB 1 118 THR H . . 3.530 2.573 2.369 2.756 . 0 0 "[ . 1 . 2]" 1
1064 1 117 LEU QB 1 118 THR HA . . 4.770 3.892 3.623 4.028 . 0 0 "[ . 1 . 2]" 1
1065 1 117 LEU HB2 1 118 THR H . . 3.700 2.946 2.504 3.668 . 0 0 "[ . 1 . 2]" 1
1066 1 117 LEU HB3 1 118 THR H . . 3.700 3.206 2.440 3.714 0.014 5 0 "[ . 1 . 2]" 1
1067 1 117 LEU MD1 1 118 THR H . . 6.530 4.333 3.482 4.701 . 0 0 "[ . 1 . 2]" 1
1068 1 117 LEU MD2 1 118 THR H . . 6.370 4.374 3.886 4.666 . 0 0 "[ . 1 . 2]" 1
1069 1 117 LEU MD2 1 121 ARG H . . 6.530 5.825 4.234 6.575 0.045 20 0 "[ . 1 . 2]" 1
1070 1 117 LEU HG 1 118 THR H . . 5.500 4.857 4.172 5.227 . 0 0 "[ . 1 . 2]" 1
1071 1 118 THR H 1 118 THR HB . . 3.020 2.635 2.566 2.741 . 0 0 "[ . 1 . 2]" 1
1072 1 118 THR H 1 119 LEU H . . 3.270 2.528 2.284 2.791 . 0 0 "[ . 1 . 2]" 1
1073 1 118 THR HA 1 121 ARG H . . 4.070 3.694 3.356 4.045 . 0 0 "[ . 1 . 2]" 1
1074 1 118 THR HA 1 121 ARG HB2 . . 3.300 3.248 2.868 3.434 0.134 16 0 "[ . 1 . 2]" 1
1075 1 118 THR HB 1 119 LEU H . . 3.330 2.582 2.351 2.763 . 0 0 "[ . 1 . 2]" 1
1076 1 118 THR MG 1 119 LEU H . . 5.600 3.661 3.476 3.854 . 0 0 "[ . 1 . 2]" 1
1077 1 119 LEU H 1 119 LEU HB2 . . 3.110 2.394 2.148 2.496 . 0 0 "[ . 1 . 2]" 1
1078 1 119 LEU H 1 119 LEU HB3 . . 3.580 3.565 3.463 3.603 0.023 1 0 "[ . 1 . 2]" 1
1079 1 119 LEU H 1 119 LEU MD1 . . 5.850 3.731 3.600 4.102 . 0 0 "[ . 1 . 2]" 1
1080 1 119 LEU H 1 119 LEU MD2 . . 5.570 3.039 2.138 3.399 . 0 0 "[ . 1 . 2]" 1
1081 1 119 LEU H 1 119 LEU HG . . 3.640 2.693 2.244 3.805 0.165 12 0 "[ . 1 . 2]" 1
1082 1 119 LEU H 1 120 MET H . . 3.210 2.715 2.585 2.852 . 0 0 "[ . 1 . 2]" 1
1083 1 119 LEU HA 1 119 LEU MD2 . . 4.420 2.037 1.931 2.404 . 0 0 "[ . 1 . 2]" 1
1084 1 119 LEU HB2 1 120 MET H . . 2.770 2.530 2.402 2.632 . 0 0 "[ . 1 . 2]" 1
1085 1 119 LEU HB3 1 120 MET H . . 3.580 3.414 2.976 3.597 0.017 10 0 "[ . 1 . 2]" 1
1086 1 119 LEU MD1 1 120 MET H . . 6.530 4.495 4.339 4.636 . 0 0 "[ . 1 . 2]" 1
1087 1 119 LEU MD1 1 123 ILE MD . . 5.790 4.039 1.774 5.566 . 0 0 "[ . 1 . 2]" 1
1088 1 119 LEU MD2 1 120 MET H . . 6.530 4.509 4.081 4.663 . 0 0 "[ . 1 . 2]" 1
1089 1 119 LEU HG 1 120 MET H . . 4.760 4.470 4.212 4.855 0.095 7 0 "[ . 1 . 2]" 1
1090 1 120 MET H 1 121 ARG H . . 2.830 2.681 2.438 2.840 0.010 7 0 "[ . 1 . 2]" 1
1091 1 120 MET QG 1 121 ARG H . . 6.290 3.610 2.101 4.458 . 0 0 "[ . 1 . 2]" 1
1092 1 121 ARG H 1 121 ARG HB2 . . 2.740 2.363 2.111 2.747 0.007 16 0 "[ . 1 . 2]" 1
1093 1 121 ARG H 1 121 ARG HB3 . . 3.300 2.825 2.471 3.515 0.215 6 0 "[ . 1 . 2]" 1
1094 1 121 ARG H 1 122 SER H . . 3.170 2.728 2.285 2.937 . 0 0 "[ . 1 . 2]" 1
1095 1 121 ARG HA 1 121 ARG HB2 . . 2.960 2.624 2.426 2.996 0.036 6 0 "[ . 1 . 2]" 1
1096 1 121 ARG HB2 1 121 ARG QD . . 3.740 2.706 2.283 3.506 . 0 0 "[ . 1 . 2]" 1
1097 1 121 ARG HB3 1 122 SER H . . 2.990 2.684 2.003 3.150 0.160 6 0 "[ . 1 . 2]" 1
1098 1 121 ARG QD 1 122 SER H . . 6.380 4.471 3.699 5.179 . 0 0 "[ . 1 . 2]" 1
1099 1 122 SER H 1 122 SER HB2 . . 3.140 2.521 2.385 2.634 . 0 0 "[ . 1 . 2]" 1
1100 1 122 SER H 1 122 SER QB . . 2.800 2.329 2.242 2.498 . 0 0 "[ . 1 . 2]" 1
1101 1 122 SER H 1 122 SER HB3 . . 3.140 2.922 2.474 3.495 0.355 19 0 "[ . 1 . 2]" 1
1102 1 122 SER QB 1 123 ILE H . . 4.370 2.674 2.439 2.854 . 0 0 "[ . 1 . 2]" 1
1103 1 123 ILE H 1 123 ILE HB . . 2.960 2.469 2.363 2.544 . 0 0 "[ . 1 . 2]" 1
1104 1 123 ILE H 1 123 ILE MD . . 5.440 3.588 3.200 3.930 . 0 0 "[ . 1 . 2]" 1
1105 1 123 ILE H 1 123 ILE HG12 . . 4.630 3.268 2.225 3.766 . 0 0 "[ . 1 . 2]" 1
1106 1 123 ILE H 1 123 ILE QG . . 4.030 2.314 2.125 2.610 . 0 0 "[ . 1 . 2]" 1
1107 1 123 ILE H 1 123 ILE HG13 . . 4.630 2.695 2.146 3.870 . 0 0 "[ . 1 . 2]" 1
1108 1 123 ILE H 1 124 VAL H . . 3.080 2.567 2.372 2.781 . 0 0 "[ . 1 . 2]" 1
1109 1 123 ILE H 1 124 VAL MG1 . . 6.530 4.884 4.125 6.040 . 0 0 "[ . 1 . 2]" 1
1110 1 123 ILE H 1 124 VAL MG2 . . 6.000 4.020 3.726 4.448 . 0 0 "[ . 1 . 2]" 1
1111 1 123 ILE H 1 125 ASP H . . 5.500 4.917 4.236 5.260 . 0 0 "[ . 1 . 2]" 1
1112 1 123 ILE HB 1 124 VAL H . . 3.360 2.522 2.428 2.711 . 0 0 "[ . 1 . 2]" 1
1113 1 123 ILE MD 1 124 VAL H . . 6.400 4.550 4.421 4.655 . 0 0 "[ . 1 . 2]" 1
1114 1 123 ILE QG 1 124 VAL H . . 6.380 4.030 3.879 4.133 . 0 0 "[ . 1 . 2]" 1
1115 1 123 ILE MG 1 124 VAL H . . 6.060 3.264 3.107 3.482 . 0 0 "[ . 1 . 2]" 1
1116 1 124 VAL H 1 124 VAL HB . . 3.800 3.742 2.948 3.851 0.051 3 0 "[ . 1 . 2]" 1
1117 1 124 VAL H 1 125 ASP H . . 3.330 3.351 2.843 3.571 0.241 1 0 "[ . 1 . 2]" 1
1118 1 124 VAL HA 1 125 ASP H . . 3.420 2.383 2.166 2.922 . 0 0 "[ . 1 . 2]" 1
1119 1 124 VAL HB 1 125 ASP H . . 5.000 4.217 4.016 4.475 . 0 0 "[ . 1 . 2]" 1
1120 1 124 VAL MG1 1 125 ASP H . . 6.060 4.193 3.689 4.337 . 0 0 "[ . 1 . 2]" 1
1121 1 124 VAL MG2 1 125 ASP H . . 5.190 4.166 3.643 4.374 . 0 0 "[ . 1 . 2]" 1
1122 1 125 ASP H 1 125 ASP HB2 . . 3.390 2.736 2.377 3.569 0.179 3 0 "[ . 1 . 2]" 1
1123 1 125 ASP H 1 125 ASP QB . . 3.180 2.281 2.218 2.655 . 0 0 "[ . 1 . 2]" 1
1124 1 125 ASP H 1 125 ASP HB3 . . 3.390 2.492 2.353 2.747 . 0 0 "[ . 1 . 2]" 1
1125 1 125 ASP H 1 126 THR H . . 3.580 2.742 2.384 3.122 . 0 0 "[ . 1 . 2]" 1
1126 1 125 ASP QB 1 126 THR H . . 4.400 2.574 1.929 3.432 . 0 0 "[ . 1 . 2]" 1
1127 1 126 THR HA 1 127 PRO HD2 . . 3.240 2.381 1.863 3.280 0.040 11 0 "[ . 1 . 2]" 1
1128 1 126 THR HA 1 127 PRO HD3 . . 3.240 2.268 1.794 2.761 . 0 0 "[ . 1 . 2]" 1
1129 1 126 THR HB 1 127 PRO QD . . 6.190 3.924 1.760 4.416 . 0 0 "[ . 1 . 2]" 1
1130 1 126 THR MG 1 127 PRO HD2 . . 6.400 3.272 2.199 4.147 . 0 0 "[ . 1 . 2]" 1
1131 1 126 THR MG 1 127 PRO QD . . 6.220 3.087 2.182 3.791 . 0 0 "[ . 1 . 2]" 1
1132 1 126 THR MG 1 127 PRO HD3 . . 6.400 3.935 3.071 4.705 . 0 0 "[ . 1 . 2]" 1
stop_
save_