Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
470077 | 2aje RC | 6727 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2aje
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 1066
_Distance_constraint_stats_list.Viol_count 1335
_Distance_constraint_stats_list.Viol_total 837.207
_Distance_constraint_stats_list.Viol_max 0.830
_Distance_constraint_stats_list.Viol_rms 0.0246
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0418
_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 9 GLN 0.054 0.033 8 0 "[ . 1 .]"
1 10 ARG 0.058 0.033 8 0 "[ . 1 .]"
1 11 ARG 0.030 0.016 15 0 "[ . 1 .]"
1 12 ILE 0.091 0.035 13 0 "[ . 1 .]"
1 13 ARG 0.329 0.061 2 0 "[ . 1 .]"
1 14 ARG 0.366 0.061 2 0 "[ . 1 .]"
1 15 PRO 0.023 0.017 12 0 "[ . 1 .]"
1 16 PHE 0.070 0.026 12 0 "[ . 1 .]"
1 17 SER 0.139 0.036 7 0 "[ . 1 .]"
1 18 VAL 7.350 0.803 14 6 "[ *. * *1- +*]"
1 19 ALA 0.162 0.022 14 0 "[ . 1 .]"
1 20 GLU 0.270 0.036 7 0 "[ . 1 .]"
1 21 VAL 0.064 0.026 12 0 "[ . 1 .]"
1 22 GLU 0.713 0.108 6 0 "[ . 1 .]"
1 23 ALA 0.375 0.068 6 0 "[ . 1 .]"
1 24 LEU 0.341 0.104 14 0 "[ . 1 .]"
1 25 VAL 0.915 0.140 4 0 "[ . 1 .]"
1 26 GLN 0.161 0.053 2 0 "[ . 1 .]"
1 27 ALA 0.656 0.050 11 0 "[ . 1 .]"
1 28 VAL 0.435 0.045 14 0 "[ . 1 .]"
1 29 GLU 0.742 0.051 10 0 "[ . 1 .]"
1 30 LYS 0.878 0.073 6 0 "[ . 1 .]"
1 31 LEU 0.110 0.034 3 0 "[ . 1 .]"
1 32 GLY 1.003 0.067 10 0 "[ . 1 .]"
1 33 THR 1.054 0.079 1 0 "[ . 1 .]"
1 34 GLY 1.007 0.052 3 0 "[ . 1 .]"
1 35 ARG 1.002 0.078 10 0 "[ . 1 .]"
1 36 TRP 0.476 0.051 7 0 "[ . 1 .]"
1 37 ARG 1.328 0.078 10 0 "[ . 1 .]"
1 38 ASP 0.983 0.064 8 0 "[ . 1 .]"
1 39 VAL 0.468 0.059 9 0 "[ . 1 .]"
1 40 LYS 0.316 0.042 13 0 "[ . 1 .]"
1 41 LEU 1.947 0.082 3 0 "[ . 1 .]"
1 42 CYS 0.690 0.076 4 0 "[ . 1 .]"
1 43 ALA 2.652 0.085 8 0 "[ . 1 .]"
1 44 PHE 4.769 0.229 9 0 "[ . 1 .]"
1 45 GLU 11.043 0.803 14 6 "[ *. * *1- +*]"
1 46 ASP 1.196 0.076 4 0 "[ . 1 .]"
1 47 ALA 0.665 0.080 13 0 "[ . 1 .]"
1 48 ASP 0.190 0.027 12 0 "[ . 1 .]"
1 49 HIS 0.424 0.062 12 0 "[ . 1 .]"
1 50 ARG 0.219 0.028 13 0 "[ . 1 .]"
1 51 THR 0.761 0.057 15 0 "[ . 1 .]"
1 52 TYR 2.630 0.109 8 0 "[ . 1 .]"
1 53 VAL 2.091 0.602 15 2 "[ . -1 +]"
1 54 ASP 0.703 0.060 3 0 "[ . 1 .]"
1 55 LEU 0.974 0.061 15 0 "[ . 1 .]"
1 56 LYS 0.601 0.090 5 0 "[ . 1 .]"
1 57 ASP 1.431 0.076 12 0 "[ . 1 .]"
1 58 LYS 0.793 0.068 14 0 "[ . 1 .]"
1 59 TRP 2.875 0.333 1 0 "[ . 1 .]"
1 60 LYS 2.724 0.830 10 1 "[ . + .]"
1 61 THR 2.306 0.102 12 0 "[ . 1 .]"
1 62 LEU 3.074 0.154 14 0 "[ . 1 .]"
1 63 VAL 0.396 0.041 12 0 "[ . 1 .]"
1 64 HIS 0.454 0.064 7 0 "[ . 1 .]"
1 65 THR 1.451 0.065 7 0 "[ . 1 .]"
1 66 ALA 0.295 0.030 15 0 "[ . 1 .]"
1 67 LYS 0.924 0.063 7 0 "[ . 1 .]"
1 68 ILE 0.748 0.065 7 0 "[ . 1 .]"
1 69 SER 0.454 0.063 7 0 "[ . 1 .]"
1 70 PRO 0.387 0.035 9 0 "[ . 1 .]"
1 71 GLN 0.061 0.017 9 0 "[ . 1 .]"
1 72 GLN 0.061 0.035 7 0 "[ . 1 .]"
1 73 ARG 0.134 0.035 7 0 "[ . 1 .]"
1 74 ARG 0.013 0.013 7 0 "[ . 1 .]"
1 75 GLY 1.543 0.767 13 2 "[ . - 1 + .]"
1 76 GLU 1.543 0.767 13 2 "[ . - 1 + .]"
1 77 PRO 0.955 0.078 9 0 "[ . 1 .]"
1 78 VAL 0.955 0.078 9 0 "[ . 1 .]"
1 79 PRO 0.460 0.061 5 0 "[ . 1 .]"
1 80 GLN 1.088 0.153 5 0 "[ . 1 .]"
1 81 GLU 1.653 0.153 5 0 "[ . 1 .]"
1 82 LEU 2.208 0.830 10 1 "[ . + .]"
1 83 LEU 1.819 0.272 3 0 "[ . 1 .]"
1 84 ASN 1.414 0.272 3 0 "[ . 1 .]"
1 85 ARG 0.321 0.051 3 0 "[ . 1 .]"
1 86 VAL 0.407 0.333 1 0 "[ . 1 .]"
1 87 LEU 3.688 0.602 15 2 "[ . -1 +]"
1 88 ASN 2.081 0.349 15 0 "[ . 1 .]"
1 89 ALA 0.720 0.082 7 0 "[ . 1 .]"
1 90 HIS 0.981 0.076 11 0 "[ . 1 .]"
1 91 GLY 0.488 0.057 6 0 "[ . 1 .]"
1 92 TYR 1.989 0.169 2 0 "[ . 1 .]"
1 93 TRP 1.986 0.047 5 0 "[ . 1 .]"
1 94 THR 0.669 0.050 9 0 "[ . 1 .]"
1 95 GLN 1.208 0.071 12 0 "[ . 1 .]"
1 96 GLN 2.788 0.169 2 0 "[ . 1 .]"
1 97 GLN 0.138 0.066 9 0 "[ . 1 .]"
1 98 MET 0.558 0.060 10 0 "[ . 1 .]"
1 99 GLN 0.017 0.011 5 0 "[ . 1 .]"
1 100 GLN 0.319 0.097 7 0 "[ . 1 .]"
1 101 LEU 0.207 0.066 9 0 "[ . 1 .]"
1 102 GLN 0.180 0.097 7 0 "[ . 1 .]"
1 103 GLN 0.507 0.092 8 0 "[ . 1 .]"
1 104 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 105 VAL 0.594 0.092 8 0 "[ . 1 .]"
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 9 GLN H 1 9 GLN QB 3.400 . 5.000 2.670 2.362 3.061 . 0 0 "[ . 1 .]" 1
2 1 9 GLN H 1 10 ARG H 3.400 . 5.000 2.433 1.792 4.476 0.008 10 0 "[ . 1 .]" 1
3 1 9 GLN H 1 10 ARG QG 3.400 . 5.000 4.064 2.934 5.033 0.033 8 0 "[ . 1 .]" 1
4 1 9 GLN H 1 11 ARG H 3.390 . 4.980 3.706 2.557 4.992 0.012 12 0 "[ . 1 .]" 1
5 1 9 GLN HA 1 10 ARG H 3.400 . 5.000 3.342 2.283 3.569 . 0 0 "[ . 1 .]" 1
6 1 10 ARG H 1 10 ARG QB 3.400 . 5.000 2.968 2.455 3.368 . 0 0 "[ . 1 .]" 1
7 1 10 ARG H 1 10 ARG QG 3.400 . 5.000 2.552 1.956 2.912 . 0 0 "[ . 1 .]" 1
8 1 10 ARG H 1 11 ARG H 2.750 . 3.700 2.480 1.784 2.841 0.016 15 0 "[ . 1 .]" 1
9 1 10 ARG HA 1 11 ARG H 3.400 . 5.000 3.207 2.949 3.570 . 0 0 "[ . 1 .]" 1
10 1 10 ARG HB2 1 11 ARG H 3.400 . 5.000 3.753 2.215 4.476 . 0 0 "[ . 1 .]" 1
11 1 10 ARG HB3 1 11 ARG H 3.400 . 5.000 4.250 3.287 4.577 . 0 0 "[ . 1 .]" 1
12 1 11 ARG H 1 11 ARG HB2 2.635 . 3.470 2.714 2.469 3.026 . 0 0 "[ . 1 .]" 1
13 1 11 ARG H 1 11 ARG QB 3.400 . 5.000 2.310 2.240 2.470 . 0 0 "[ . 1 .]" 1
14 1 11 ARG H 1 11 ARG HB3 2.635 . 3.470 2.510 2.477 2.618 . 0 0 "[ . 1 .]" 1
15 1 11 ARG H 1 12 ILE H 3.240 . 4.680 4.448 3.998 4.642 . 0 0 "[ . 1 .]" 1
16 1 11 ARG HA 1 12 ILE H 3.400 . 5.000 2.178 2.139 2.316 . 0 0 "[ . 1 .]" 1
17 1 11 ARG HB2 1 12 ILE H 3.400 . 5.000 4.240 3.947 4.508 . 0 0 "[ . 1 .]" 1
18 1 11 ARG HB3 1 12 ILE H 3.400 . 5.000 4.180 3.746 4.440 . 0 0 "[ . 1 .]" 1
19 1 11 ARG QG 1 12 ILE H 3.400 . 5.000 2.845 2.124 3.458 . 0 0 "[ . 1 .]" 1
20 1 11 ARG HG2 1 12 ILE H 3.090 . 4.380 3.405 2.271 4.382 0.002 6 0 "[ . 1 .]" 1
21 1 11 ARG HG3 1 12 ILE H 3.090 . 4.380 3.168 2.470 3.966 . 0 0 "[ . 1 .]" 1
22 1 12 ILE H 1 13 ARG H 3.195 . 4.590 4.379 2.724 4.604 0.014 5 0 "[ . 1 .]" 1
23 1 12 ILE HA 1 13 ARG H 3.400 . 5.000 2.339 2.145 3.552 . 0 0 "[ . 1 .]" 1
24 1 12 ILE HB 1 13 ARG H 3.400 . 5.000 3.625 1.960 4.198 . 0 0 "[ . 1 .]" 1
25 1 12 ILE QG 1 13 ARG H 3.400 . 5.000 3.812 2.247 4.703 . 0 0 "[ . 1 .]" 1
26 1 12 ILE MG 1 13 ARG H 3.400 . 5.000 2.827 2.003 3.785 . 0 0 "[ . 1 .]" 1
27 1 12 ILE MG 1 14 ARG H 3.400 . 5.000 4.522 3.721 5.035 0.035 13 0 "[ . 1 .]" 1
28 1 13 ARG H 1 14 ARG H 3.075 . 4.350 3.878 1.801 4.384 0.034 11 0 "[ . 1 .]" 1
29 1 13 ARG HB2 1 14 ARG H 3.400 . 5.000 3.704 1.794 4.499 0.006 13 0 "[ . 1 .]" 1
30 1 13 ARG HB3 1 14 ARG H 3.400 . 5.000 3.336 1.803 4.449 . 0 0 "[ . 1 .]" 1
31 1 13 ARG QG 1 14 ARG H 3.400 . 5.000 3.239 1.786 4.043 0.014 5 0 "[ . 1 .]" 1
32 1 13 ARG HG2 1 14 ARG H 3.265 . 4.730 3.868 2.774 4.731 0.001 12 0 "[ . 1 .]" 1
33 1 13 ARG HG3 1 14 ARG H 3.265 . 4.730 3.758 1.804 4.791 0.061 2 0 "[ . 1 .]" 1
34 1 15 PRO QB 1 16 PHE H 3.400 . 5.000 2.922 2.025 3.717 . 0 0 "[ . 1 .]" 1
35 1 15 PRO QG 1 16 PHE H 3.400 . 5.000 2.639 1.783 4.651 0.017 12 0 "[ . 1 .]" 1
36 1 16 PHE H 1 16 PHE QD 2.955 . 4.110 2.754 2.313 3.109 . 0 0 "[ . 1 .]" 1
37 1 16 PHE H 1 16 PHE QE 3.650 . 5.500 4.863 4.393 5.233 . 0 0 "[ . 1 .]" 1
38 1 16 PHE H 1 17 SER H 3.250 . 4.700 4.494 4.409 4.585 . 0 0 "[ . 1 .]" 1
39 1 16 PHE HA 1 17 SER H 3.400 . 5.000 2.350 2.138 2.517 . 0 0 "[ . 1 .]" 1
40 1 16 PHE QB 1 17 SER H 3.400 . 5.000 2.524 2.124 3.194 . 0 0 "[ . 1 .]" 1
41 1 16 PHE QB 1 21 VAL H 3.400 . 5.000 4.748 4.238 5.026 0.026 12 0 "[ . 1 .]" 1
42 1 16 PHE HB2 1 17 SER H 3.400 . 5.000 3.798 3.495 4.297 . 0 0 "[ . 1 .]" 1
43 1 16 PHE HB3 1 17 SER H 3.400 . 5.000 2.566 2.142 3.294 . 0 0 "[ . 1 .]" 1
44 1 16 PHE QD 1 17 SER H 3.180 . 4.560 3.571 3.357 3.926 . 0 0 "[ . 1 .]" 1
45 1 16 PHE QD 1 20 GLU H 3.525 . 5.250 4.938 4.594 5.212 . 0 0 "[ . 1 .]" 1
46 1 16 PHE QD 1 21 VAL H 3.375 . 4.950 4.929 4.905 4.941 . 0 0 "[ . 1 .]" 1
47 1 17 SER H 1 17 SER HG 3.075 . 4.350 3.761 2.710 4.368 0.018 8 0 "[ . 1 .]" 1
48 1 17 SER H 1 18 VAL H 3.400 . 5.000 4.379 4.346 4.421 . 0 0 "[ . 1 .]" 1
49 1 17 SER H 1 19 ALA H 3.350 . 4.900 4.325 3.862 4.674 . 0 0 "[ . 1 .]" 1
50 1 17 SER H 1 19 ALA MB 3.400 . 5.000 4.312 3.623 4.756 . 0 0 "[ . 1 .]" 1
51 1 17 SER H 1 20 GLU H 2.780 . 3.760 3.078 2.868 3.339 . 0 0 "[ . 1 .]" 1
52 1 17 SER H 1 20 GLU HB2 2.815 . 3.830 2.822 2.183 3.701 . 0 0 "[ . 1 .]" 1
53 1 17 SER H 1 20 GLU QB 3.400 . 5.000 2.432 2.171 3.031 . 0 0 "[ . 1 .]" 1
54 1 17 SER H 1 20 GLU HB3 2.815 . 3.830 3.356 2.399 3.866 0.036 7 0 "[ . 1 .]" 1
55 1 17 SER H 1 21 VAL H 3.400 . 5.000 3.921 3.572 4.214 . 0 0 "[ . 1 .]" 1
56 1 17 SER HA 1 18 VAL H 3.400 . 5.000 2.553 2.399 2.667 . 0 0 "[ . 1 .]" 1
57 1 17 SER QB 1 19 ALA H 3.400 . 5.000 2.879 2.514 3.107 . 0 0 "[ . 1 .]" 1
58 1 17 SER QB 1 20 GLU H 3.400 . 5.000 3.895 2.991 4.544 . 0 0 "[ . 1 .]" 1
59 1 17 SER HB2 1 18 VAL H 3.400 . 5.000 2.694 2.006 3.804 . 0 0 "[ . 1 .]" 1
60 1 17 SER HB3 1 18 VAL H 3.400 . 5.000 3.295 1.993 3.795 . 0 0 "[ . 1 .]" 1
61 1 17 SER HG 1 18 VAL H 3.095 . 4.390 3.460 1.799 4.370 0.001 8 0 "[ . 1 .]" 1
62 1 18 VAL H 1 18 VAL HB 2.350 . 2.900 2.500 2.470 2.538 . 0 0 "[ . 1 .]" 1
63 1 18 VAL H 1 18 VAL QG 3.400 . 5.000 2.117 2.053 2.161 . 0 0 "[ . 1 .]" 1
64 1 18 VAL H 1 19 ALA H 2.700 . 3.600 2.774 2.641 2.881 . 0 0 "[ . 1 .]" 1
65 1 18 VAL H 1 19 ALA MB 3.400 . 5.000 4.426 4.305 4.524 . 0 0 "[ . 1 .]" 1
66 1 18 VAL H 1 20 GLU H 3.345 . 4.890 4.617 4.301 4.899 0.009 3 0 "[ . 1 .]" 1
67 1 18 VAL H 1 21 VAL H 3.510 . 5.220 4.785 4.537 4.862 . 0 0 "[ . 1 .]" 1
68 1 18 VAL H 1 21 VAL QG 3.400 . 5.000 3.780 3.582 4.150 . 0 0 "[ . 1 .]" 1
69 1 18 VAL H 1 45 GLU HG2 3.900 . 6.000 5.817 5.452 6.038 0.038 13 0 "[ . 1 .]" 1
70 1 18 VAL HA 1 19 ALA H 2.700 . 3.600 3.489 3.451 3.519 . 0 0 "[ . 1 .]" 1
71 1 18 VAL HA 1 19 ALA HA 3.320 . 4.840 4.845 4.795 4.862 0.022 14 0 "[ . 1 .]" 1
72 1 18 VAL HA 1 20 GLU H 3.430 . 5.060 4.483 4.111 4.701 . 0 0 "[ . 1 .]" 1
73 1 18 VAL HA 1 21 VAL H 3.400 . 5.000 3.261 2.968 3.535 . 0 0 "[ . 1 .]" 1
74 1 18 VAL HB 1 19 ALA H 3.060 . 4.320 4.037 3.975 4.107 . 0 0 "[ . 1 .]" 1
75 1 18 VAL HB 1 45 GLU HB2 3.900 . 6.000 6.026 5.977 6.041 0.041 14 0 "[ . 1 .]" 1
76 1 18 VAL HB 1 45 GLU HG2 3.660 . 5.520 5.891 5.194 6.323 0.803 14 6 "[ *. * *1- +*]" 1
77 1 18 VAL QG 1 19 ALA H 3.400 . 5.000 2.242 2.114 2.412 . 0 0 "[ . 1 .]" 1
78 1 18 VAL QG 1 62 LEU H 3.400 . 5.000 4.992 4.913 5.018 0.018 11 0 "[ . 1 .]" 1
79 1 18 VAL QG 1 63 VAL H 3.900 . 6.000 5.792 5.178 6.036 0.036 14 0 "[ . 1 .]" 1
80 1 18 VAL MG2 1 61 THR MG 3.400 . 5.000 4.859 4.265 5.028 0.028 11 0 "[ . 1 .]" 1
81 1 18 VAL MG2 1 62 LEU H 4.150 . 6.500 5.086 4.987 5.118 . 0 0 "[ . 1 .]" 1
82 1 19 ALA H 1 19 ALA HA 2.360 . 2.920 2.794 2.781 2.832 . 0 0 "[ . 1 .]" 1
83 1 19 ALA H 1 19 ALA MB 3.400 . 5.000 2.222 2.195 2.236 . 0 0 "[ . 1 .]" 1
84 1 19 ALA H 1 20 GLU H 3.400 . 5.000 2.795 2.567 2.922 . 0 0 "[ . 1 .]" 1
85 1 19 ALA H 1 21 VAL H 3.400 . 5.000 3.935 3.811 4.051 . 0 0 "[ . 1 .]" 1
86 1 19 ALA H 1 21 VAL HB 3.650 . 5.500 4.899 4.620 5.517 0.017 10 0 "[ . 1 .]" 1
87 1 19 ALA H 1 22 GLU H 3.470 . 5.140 4.913 4.792 5.134 . 0 0 "[ . 1 .]" 1
88 1 19 ALA HA 1 20 GLU H 2.700 . 3.600 3.554 3.514 3.574 . 0 0 "[ . 1 .]" 1
89 1 19 ALA HA 1 22 GLU H 2.925 . 4.050 3.758 3.615 4.010 . 0 0 "[ . 1 .]" 1
90 1 19 ALA MB 1 20 GLU H 3.400 . 3.600 2.353 2.166 2.618 . 0 0 "[ . 1 .]" 1
91 1 19 ALA MB 1 21 VAL H 3.400 . 5.000 4.319 4.171 4.569 . 0 0 "[ . 1 .]" 1
92 1 20 GLU H 1 20 GLU HB2 2.685 . 3.570 2.470 2.351 2.566 . 0 0 "[ . 1 .]" 1
93 1 20 GLU H 1 20 GLU QB 3.400 . 5.000 2.314 2.253 2.451 . 0 0 "[ . 1 .]" 1
94 1 20 GLU H 1 20 GLU HB3 2.685 . 3.570 3.084 2.509 3.602 0.032 6 0 "[ . 1 .]" 1
95 1 20 GLU H 1 21 VAL H 2.515 . 3.230 2.534 2.261 2.622 . 0 0 "[ . 1 .]" 1
96 1 20 GLU H 1 21 VAL QG 3.400 . 5.000 3.784 3.689 3.993 . 0 0 "[ . 1 .]" 1
97 1 20 GLU H 1 22 GLU H 2.965 . 4.130 4.088 3.833 4.148 0.018 1 0 "[ . 1 .]" 1
98 1 20 GLU HA 1 21 VAL H 3.400 . 5.000 3.508 3.451 3.543 . 0 0 "[ . 1 .]" 1
99 1 20 GLU HA 1 23 ALA H 3.400 . 5.000 3.638 3.482 3.796 . 0 0 "[ . 1 .]" 1
100 1 20 GLU QB 1 21 VAL H 3.400 . 5.000 2.676 2.540 2.867 . 0 0 "[ . 1 .]" 1
101 1 20 GLU QB 1 22 GLU H 3.900 . 6.000 4.614 4.446 4.746 . 0 0 "[ . 1 .]" 1
102 1 20 GLU HB2 1 21 VAL H 3.400 . 5.000 3.302 2.596 3.949 . 0 0 "[ . 1 .]" 1
103 1 20 GLU HB3 1 21 VAL H 3.400 . 5.000 3.231 2.576 3.892 . 0 0 "[ . 1 .]" 1
104 1 21 VAL H 1 21 VAL HB 2.795 . 3.790 2.557 2.346 2.627 . 0 0 "[ . 1 .]" 1
105 1 21 VAL H 1 21 VAL QG 3.400 . 5.000 2.025 1.930 2.470 . 0 0 "[ . 1 .]" 1
106 1 21 VAL H 1 22 GLU H 2.435 . 3.070 2.712 2.630 2.782 . 0 0 "[ . 1 .]" 1
107 1 21 VAL H 1 23 ALA H 3.400 . 5.000 4.698 4.554 4.801 . 0 0 "[ . 1 .]" 1
108 1 21 VAL HA 1 22 GLU H 2.700 . 3.600 3.500 3.462 3.533 . 0 0 "[ . 1 .]" 1
109 1 21 VAL HA 1 23 ALA H 3.400 . 5.000 4.500 4.277 4.626 . 0 0 "[ . 1 .]" 1
110 1 21 VAL HA 1 24 LEU H 3.400 . 5.000 3.188 3.008 3.289 . 0 0 "[ . 1 .]" 1
111 1 21 VAL HB 1 22 GLU H 3.400 . 5.000 2.920 2.749 3.932 . 0 0 "[ . 1 .]" 1
112 1 21 VAL QG 1 22 GLU H 3.400 . 5.000 3.268 2.428 3.408 . 0 0 "[ . 1 .]" 1
113 1 21 VAL QG 1 23 ALA H 3.400 . 5.000 4.759 4.340 4.863 . 0 0 "[ . 1 .]" 1
114 1 22 GLU H 1 22 GLU HB2 2.625 . 3.450 2.447 2.283 3.558 0.108 6 0 "[ . 1 .]" 1
115 1 22 GLU H 1 22 GLU QB 3.400 . 5.000 2.228 2.185 2.317 . 0 0 "[ . 1 .]" 1
116 1 22 GLU H 1 22 GLU HB3 2.625 . 3.450 2.678 2.348 2.786 . 0 0 "[ . 1 .]" 1
117 1 22 GLU H 1 23 ALA H 2.405 . 3.010 2.931 2.823 3.010 0.000 1 0 "[ . 1 .]" 1
118 1 22 GLU H 1 24 LEU H 3.400 . 5.000 4.062 3.959 4.148 . 0 0 "[ . 1 .]" 1
119 1 22 GLU H 1 24 LEU QD 3.900 . 6.000 5.583 5.388 5.702 . 0 0 "[ . 1 .]" 1
120 1 22 GLU HA 1 23 ALA H 3.400 . 5.000 3.561 3.543 3.572 . 0 0 "[ . 1 .]" 1
121 1 22 GLU HA 1 24 LEU H 3.150 . 4.500 4.499 4.438 4.537 0.037 11 0 "[ . 1 .]" 1
122 1 22 GLU HA 1 25 VAL H 3.400 . 5.000 3.600 3.424 4.081 . 0 0 "[ . 1 .]" 1
123 1 22 GLU HA 1 26 GLN H 3.400 . 5.000 4.572 4.424 4.649 . 0 0 "[ . 1 .]" 1
124 1 22 GLU QB 1 23 ALA H 3.400 . 5.000 2.301 2.156 3.256 . 0 0 "[ . 1 .]" 1
125 1 22 GLU HB2 1 23 ALA H 2.700 . 3.600 3.615 3.556 3.654 0.054 10 0 "[ . 1 .]" 1
126 1 22 GLU HB3 1 23 ALA H 2.700 . 3.600 2.349 2.172 3.668 0.068 6 0 "[ . 1 .]" 1
127 1 23 ALA H 1 23 ALA MB 3.400 . 5.000 2.212 2.169 2.237 . 0 0 "[ . 1 .]" 1
128 1 23 ALA H 1 24 LEU H 2.700 . 3.600 2.648 2.518 2.717 . 0 0 "[ . 1 .]" 1
129 1 23 ALA H 1 24 LEU HB2 3.455 . 5.110 4.965 4.823 5.043 . 0 0 "[ . 1 .]" 1
130 1 23 ALA H 1 24 LEU QB 3.400 . 5.000 4.365 4.242 4.427 . 0 0 "[ . 1 .]" 1
131 1 23 ALA H 1 25 VAL H 3.400 . 5.000 4.077 3.905 4.595 . 0 0 "[ . 1 .]" 1
132 1 23 ALA H 1 26 GLN H 3.570 . 5.340 4.811 4.672 4.923 . 0 0 "[ . 1 .]" 1
133 1 23 ALA HA 1 24 LEU H 3.400 . 5.000 3.528 3.513 3.534 . 0 0 "[ . 1 .]" 1
134 1 23 ALA HA 1 26 GLN H 2.910 . 4.020 3.256 3.164 3.371 . 0 0 "[ . 1 .]" 1
135 1 23 ALA MB 1 24 LEU H 3.400 . 3.600 2.525 2.430 2.627 . 0 0 "[ . 1 .]" 1
136 1 24 LEU H 1 24 LEU HB2 2.890 . 3.980 2.475 2.442 2.531 . 0 0 "[ . 1 .]" 1
137 1 24 LEU H 1 24 LEU QB 3.400 . 5.000 2.234 2.230 2.239 . 0 0 "[ . 1 .]" 1
138 1 24 LEU H 1 24 LEU HB3 2.890 . 3.980 2.546 2.478 2.581 . 0 0 "[ . 1 .]" 1
139 1 24 LEU H 1 25 VAL H 2.700 . 3.600 2.702 2.605 2.961 . 0 0 "[ . 1 .]" 1
140 1 24 LEU H 1 26 GLN H 3.400 . 5.000 4.167 3.824 4.353 . 0 0 "[ . 1 .]" 1
141 1 24 LEU H 1 62 LEU MD1 4.150 . 6.500 5.758 5.466 6.489 . 0 0 "[ . 1 .]" 1
142 1 24 LEU HA 1 26 GLN H 3.265 . 4.730 4.363 4.155 4.488 . 0 0 "[ . 1 .]" 1
143 1 24 LEU HA 1 27 ALA H 2.800 . 3.800 3.496 3.404 3.631 . 0 0 "[ . 1 .]" 1
144 1 24 LEU QB 1 25 VAL H 3.400 . 5.000 2.703 2.177 2.886 . 0 0 "[ . 1 .]" 1
145 1 24 LEU QB 1 26 GLN H 3.900 . 6.000 4.770 4.275 4.947 . 0 0 "[ . 1 .]" 1
146 1 24 LEU QB 1 28 VAL H 3.900 . 6.000 5.336 5.160 5.581 . 0 0 "[ . 1 .]" 1
147 1 24 LEU HB2 1 25 VAL H 3.400 . 5.000 3.942 3.670 4.030 . 0 0 "[ . 1 .]" 1
148 1 24 LEU HB3 1 25 VAL H 3.400 . 5.000 2.756 2.194 2.957 . 0 0 "[ . 1 .]" 1
149 1 24 LEU QD 1 25 VAL H 3.400 . 5.000 3.999 3.415 4.153 . 0 0 "[ . 1 .]" 1
150 1 24 LEU QD 1 27 ALA H 3.900 . 6.000 4.364 4.224 4.535 . 0 0 "[ . 1 .]" 1
151 1 24 LEU QD 1 28 VAL H 3.400 . 5.000 4.187 3.944 4.604 . 0 0 "[ . 1 .]" 1
152 1 24 LEU QD 1 37 ARG HB2 3.900 . 6.000 4.277 3.537 5.227 . 0 0 "[ . 1 .]" 1
153 1 24 LEU MD2 1 62 LEU MD2 4.150 . 6.500 5.464 4.687 6.604 0.104 14 0 "[ . 1 .]" 1
154 1 24 LEU HG 1 25 VAL H 3.180 . 4.560 3.975 3.222 4.223 . 0 0 "[ . 1 .]" 1
155 1 24 LEU HG 1 26 GLN H 3.900 . 6.000 5.715 5.076 5.916 . 0 0 "[ . 1 .]" 1
156 1 25 VAL H 1 25 VAL HB 3.400 . 5.000 2.723 2.266 3.640 . 0 0 "[ . 1 .]" 1
157 1 25 VAL H 1 25 VAL MG1 3.400 . 5.000 3.326 2.068 3.768 . 0 0 "[ . 1 .]" 1
158 1 25 VAL H 1 25 VAL QG 3.400 . 5.000 2.258 1.852 2.593 . 0 0 "[ . 1 .]" 1
159 1 25 VAL H 1 25 VAL MG2 3.400 . 5.000 2.330 2.055 2.652 . 0 0 "[ . 1 .]" 1
160 1 25 VAL H 1 26 GLN H 3.400 . 5.000 2.529 2.460 2.628 . 0 0 "[ . 1 .]" 1
161 1 25 VAL H 1 26 GLN HB2 3.355 . 4.910 4.870 4.780 4.963 0.053 2 0 "[ . 1 .]" 1
162 1 25 VAL H 1 27 ALA H 3.160 . 4.520 3.830 3.743 4.058 . 0 0 "[ . 1 .]" 1
163 1 25 VAL H 1 27 ALA MB 3.900 . 6.000 4.742 4.633 4.975 . 0 0 "[ . 1 .]" 1
164 1 25 VAL H 1 28 VAL H 3.485 . 5.170 4.697 4.627 4.800 . 0 0 "[ . 1 .]" 1
165 1 25 VAL H 1 62 LEU MD1 4.150 . 6.500 4.816 4.374 5.341 . 0 0 "[ . 1 .]" 1
166 1 25 VAL H 1 62 LEU QD 3.400 . 5.000 4.172 3.850 4.451 . 0 0 "[ . 1 .]" 1
167 1 25 VAL HA 1 27 ALA H 3.105 . 4.410 3.831 3.727 3.894 . 0 0 "[ . 1 .]" 1
168 1 25 VAL HA 1 29 GLU H 3.400 . 5.000 3.969 3.905 4.073 . 0 0 "[ . 1 .]" 1
169 1 25 VAL HB 1 26 GLN H 3.400 . 5.000 3.007 2.568 3.981 . 0 0 "[ . 1 .]" 1
170 1 25 VAL QG 1 26 GLN H 3.400 . 5.000 2.886 2.229 3.189 . 0 0 "[ . 1 .]" 1
171 1 25 VAL QG 1 27 ALA H 3.900 . 6.000 4.201 4.023 4.304 . 0 0 "[ . 1 .]" 1
172 1 25 VAL QG 1 29 GLU H 3.400 . 5.000 4.072 3.813 4.672 . 0 0 "[ . 1 .]" 1
173 1 25 VAL QG 1 59 TRP HE1 4.150 . 6.500 5.173 4.485 6.197 . 0 0 "[ . 1 .]" 1
174 1 25 VAL QG 1 60 LYS H 4.150 . 6.500 6.389 6.033 6.541 0.041 13 0 "[ . 1 .]" 1
175 1 25 VAL QG 1 62 LEU QD 3.400 . 5.000 1.822 1.660 2.154 0.140 4 0 "[ . 1 .]" 1
176 1 25 VAL MG1 1 62 LEU HB3 3.900 . 6.000 5.134 3.743 5.877 . 0 0 "[ . 1 .]" 1
177 1 25 VAL MG1 1 62 LEU MD1 4.150 . 6.500 4.069 3.194 4.595 . 0 0 "[ . 1 .]" 1
178 1 25 VAL MG2 1 62 LEU H 3.900 . 6.000 5.967 5.627 6.076 0.076 4 0 "[ . 1 .]" 1
179 1 25 VAL MG2 1 62 LEU MD1 3.400 . 5.000 2.601 1.801 2.963 . 0 0 "[ . 1 .]" 1
180 1 26 GLN H 1 26 GLN HB2 2.390 . 2.980 2.521 2.467 2.584 . 0 0 "[ . 1 .]" 1
181 1 26 GLN H 1 26 GLN QB 3.400 . 5.000 2.252 2.242 2.266 . 0 0 "[ . 1 .]" 1
182 1 26 GLN H 1 26 GLN HB3 2.375 . 2.950 2.536 2.507 2.576 . 0 0 "[ . 1 .]" 1
183 1 26 GLN H 1 27 ALA H 2.435 . 3.070 2.536 2.430 2.585 . 0 0 "[ . 1 .]" 1
184 1 26 GLN H 1 28 VAL H 3.400 . 5.000 4.171 3.964 4.242 . 0 0 "[ . 1 .]" 1
185 1 26 GLN H 1 29 GLU H 3.380 . 4.960 4.828 4.729 4.872 . 0 0 "[ . 1 .]" 1
186 1 26 GLN H 1 29 GLU HG2 3.400 . 5.000 4.301 4.183 5.014 0.014 10 0 "[ . 1 .]" 1
187 1 26 GLN HA 1 27 ALA H 3.400 . 5.000 3.428 3.417 3.437 . 0 0 "[ . 1 .]" 1
188 1 26 GLN HA 1 28 VAL H 3.375 . 4.950 4.491 4.279 4.558 . 0 0 "[ . 1 .]" 1
189 1 26 GLN HA 1 29 GLU H 3.400 . 5.000 3.714 3.635 3.767 . 0 0 "[ . 1 .]" 1
190 1 26 GLN QB 1 27 ALA H 3.400 . 5.000 2.966 2.909 3.006 . 0 0 "[ . 1 .]" 1
191 1 26 GLN HB2 1 27 ALA H 3.400 . 5.000 4.080 4.041 4.106 . 0 0 "[ . 1 .]" 1
192 1 26 GLN HB3 1 27 ALA H 3.400 . 5.000 3.046 2.983 3.091 . 0 0 "[ . 1 .]" 1
193 1 27 ALA H 1 27 ALA MB 3.400 . 5.000 2.289 2.287 2.291 . 0 0 "[ . 1 .]" 1
194 1 27 ALA H 1 28 VAL H 2.700 . 3.600 2.359 2.300 2.376 . 0 0 "[ . 1 .]" 1
195 1 27 ALA H 1 28 VAL MG1 3.400 . 5.000 3.903 3.530 3.994 . 0 0 "[ . 1 .]" 1
196 1 27 ALA H 1 28 VAL QG 3.400 . 5.000 3.325 3.267 3.348 . 0 0 "[ . 1 .]" 1
197 1 27 ALA H 1 28 VAL MG2 3.900 . 6.000 3.622 3.541 3.852 . 0 0 "[ . 1 .]" 1
198 1 27 ALA H 1 29 GLU H 2.875 . 3.950 3.728 3.638 3.803 . 0 0 "[ . 1 .]" 1
199 1 27 ALA H 1 29 GLU HG2 3.400 . 5.000 3.844 3.750 4.564 . 0 0 "[ . 1 .]" 1
200 1 27 ALA H 1 29 GLU HG3 3.400 . 5.000 5.044 5.003 5.050 0.050 11 0 "[ . 1 .]" 1
201 1 27 ALA H 1 30 LYS HG2 3.900 . 6.000 5.661 5.454 5.794 . 0 0 "[ . 1 .]" 1
202 1 27 ALA HA 1 29 GLU H 3.305 . 4.810 4.209 4.140 4.237 . 0 0 "[ . 1 .]" 1
203 1 27 ALA HA 1 30 LYS H 3.400 . 5.000 4.659 4.420 4.750 . 0 0 "[ . 1 .]" 1
204 1 27 ALA MB 1 28 VAL H 3.400 . 5.000 2.670 2.612 2.799 . 0 0 "[ . 1 .]" 1
205 1 28 VAL H 1 28 VAL HB 2.860 . 3.920 3.664 3.656 3.675 . 0 0 "[ . 1 .]" 1
206 1 28 VAL H 1 28 VAL MG1 3.400 . 5.000 2.312 2.098 2.384 . 0 0 "[ . 1 .]" 1
207 1 28 VAL H 1 28 VAL QG 3.400 . 5.000 1.882 1.863 1.925 . 0 0 "[ . 1 .]" 1
208 1 28 VAL H 1 28 VAL MG2 3.400 . 5.000 2.006 1.944 2.240 . 0 0 "[ . 1 .]" 1
209 1 28 VAL H 1 29 GLU H 2.700 . 3.600 2.417 2.405 2.426 . 0 0 "[ . 1 .]" 1
210 1 28 VAL H 1 29 GLU HG2 3.400 . 5.000 3.827 3.659 4.831 . 0 0 "[ . 1 .]" 1
211 1 28 VAL H 1 29 GLU HG3 3.595 . 5.390 4.696 4.571 4.744 . 0 0 "[ . 1 .]" 1
212 1 28 VAL H 1 30 LYS H 3.400 . 5.000 4.310 4.220 4.379 . 0 0 "[ . 1 .]" 1
213 1 28 VAL H 1 30 LYS HG2 3.530 . 5.260 4.816 4.708 4.948 . 0 0 "[ . 1 .]" 1
214 1 28 VAL H 1 30 LYS QG 3.400 . 5.000 4.601 4.513 4.702 . 0 0 "[ . 1 .]" 1
215 1 28 VAL H 1 31 LEU QD 3.400 . 5.000 4.450 4.135 4.768 . 0 0 "[ . 1 .]" 1
216 1 28 VAL HA 1 30 LYS H 2.970 . 4.140 3.299 3.250 3.426 . 0 0 "[ . 1 .]" 1
217 1 28 VAL HA 1 31 LEU H 2.785 . 3.770 3.035 2.963 3.157 . 0 0 "[ . 1 .]" 1
218 1 28 VAL HA 1 32 GLY H 3.400 . 5.000 3.915 3.710 4.029 . 0 0 "[ . 1 .]" 1
219 1 28 VAL HB 1 29 GLU H 3.400 . 5.000 4.120 4.088 4.207 . 0 0 "[ . 1 .]" 1
220 1 28 VAL HB 1 32 GLY QA 3.005 . 4.210 2.569 2.356 2.643 . 0 0 "[ . 1 .]" 1
221 1 28 VAL HB 1 33 THR H 3.095 . 4.390 4.359 4.042 4.415 0.025 6 0 "[ . 1 .]" 1
222 1 28 VAL QG 1 29 GLU H 3.400 . 5.000 2.560 2.517 2.578 . 0 0 "[ . 1 .]" 1
223 1 28 VAL QG 1 30 LYS H 3.400 . 5.000 4.078 4.026 4.150 . 0 0 "[ . 1 .]" 1
224 1 28 VAL QG 1 31 LEU H 3.900 . 6.000 4.435 4.366 4.533 . 0 0 "[ . 1 .]" 1
225 1 28 VAL QG 1 32 GLY H 3.400 . 5.000 4.335 4.154 4.425 . 0 0 "[ . 1 .]" 1
226 1 28 VAL QG 1 93 TRP HE1 3.400 . 5.000 4.433 4.088 4.724 . 0 0 "[ . 1 .]" 1
227 1 28 VAL MG1 1 30 LYS H 3.900 . 6.000 5.006 4.976 5.102 . 0 0 "[ . 1 .]" 1
228 1 28 VAL MG1 1 93 TRP HE1 4.150 . 6.500 6.441 6.211 6.522 0.022 4 0 "[ . 1 .]" 1
229 1 28 VAL MG2 1 29 GLU H 3.400 . 5.000 2.588 2.546 2.606 . 0 0 "[ . 1 .]" 1
230 1 28 VAL MG2 1 30 LYS H 3.900 . 6.000 4.320 4.246 4.393 . 0 0 "[ . 1 .]" 1
231 1 28 VAL MG2 1 32 GLY H 3.900 . 6.000 4.677 4.396 4.826 . 0 0 "[ . 1 .]" 1
232 1 28 VAL MG2 1 33 THR H 3.900 . 6.000 4.897 4.483 5.093 . 0 0 "[ . 1 .]" 1
233 1 28 VAL MG2 1 34 GLY H 3.900 . 6.000 5.578 5.085 5.934 . 0 0 "[ . 1 .]" 1
234 1 28 VAL MG2 1 59 TRP NE1 4.150 . 6.500 6.456 6.076 6.545 0.045 14 0 "[ . 1 .]" 1
235 1 28 VAL MG2 1 93 TRP HE1 3.900 . 6.000 4.519 4.141 4.849 . 0 0 "[ . 1 .]" 1
236 1 28 VAL MG2 1 93 TRP NE1 3.900 . 6.000 4.667 4.219 5.004 . 0 0 "[ . 1 .]" 1
237 1 29 GLU H 1 29 GLU HB2 2.770 . 3.740 3.589 3.580 3.594 . 0 0 "[ . 1 .]" 1
238 1 29 GLU H 1 29 GLU QB 3.400 . 5.000 2.638 2.376 2.701 . 0 0 "[ . 1 .]" 1
239 1 29 GLU H 1 29 GLU HB3 2.770 . 3.740 2.716 2.412 2.793 . 0 0 "[ . 1 .]" 1
240 1 29 GLU H 1 29 GLU HG2 2.575 . 3.350 2.128 1.984 3.044 . 0 0 "[ . 1 .]" 1
241 1 29 GLU H 1 29 GLU HG3 2.825 . 3.850 2.708 2.612 2.744 . 0 0 "[ . 1 .]" 1
242 1 29 GLU H 1 30 LYS H 2.700 . 3.600 2.774 2.704 2.800 . 0 0 "[ . 1 .]" 1
243 1 29 GLU H 1 31 LEU H 3.400 . 5.000 4.565 4.403 4.656 . 0 0 "[ . 1 .]" 1
244 1 29 GLU H 1 93 TRP HE1 3.900 . 6.000 4.785 4.386 4.973 . 0 0 "[ . 1 .]" 1
245 1 29 GLU H 1 93 TRP HZ2 3.510 . 5.220 4.575 4.179 5.050 . 0 0 "[ . 1 .]" 1
246 1 29 GLU HA 1 30 LYS H 3.400 . 5.000 3.373 3.357 3.453 . 0 0 "[ . 1 .]" 1
247 1 29 GLU HA 1 93 TRP HE1 3.370 . 4.940 2.244 1.799 2.573 0.001 14 0 "[ . 1 .]" 1
248 1 29 GLU HB2 1 30 LYS H 3.400 . 5.000 4.077 4.002 4.115 . 0 0 "[ . 1 .]" 1
249 1 29 GLU HB3 1 30 LYS H 3.400 . 5.000 4.384 4.083 4.434 . 0 0 "[ . 1 .]" 1
250 1 29 GLU HB3 1 93 TRP HE1 3.410 . 5.020 4.386 3.930 4.906 . 0 0 "[ . 1 .]" 1
251 1 29 GLU HG2 1 30 LYS H 2.810 . 3.820 3.806 3.702 3.871 0.051 10 0 "[ . 1 .]" 1
252 1 29 GLU HG3 1 30 LYS H 2.700 . 3.600 2.811 2.191 2.912 . 0 0 "[ . 1 .]" 1
253 1 29 GLU HG3 1 31 LEU H 3.530 . 5.260 5.015 4.529 5.159 . 0 0 "[ . 1 .]" 1
254 1 29 GLU HG3 1 93 TRP HE1 3.900 . 6.000 5.254 4.888 5.575 . 0 0 "[ . 1 .]" 1
255 1 30 LYS H 1 30 LYS HE2 3.650 . 5.500 4.569 4.421 5.156 . 0 0 "[ . 1 .]" 1
256 1 30 LYS H 1 30 LYS QE 3.400 . 5.000 4.087 3.894 4.568 . 0 0 "[ . 1 .]" 1
257 1 30 LYS H 1 30 LYS HE3 3.650 . 5.500 4.662 4.251 5.573 0.073 6 0 "[ . 1 .]" 1
258 1 30 LYS H 1 30 LYS HG2 3.075 . 4.350 2.081 1.948 2.188 . 0 0 "[ . 1 .]" 1
259 1 30 LYS H 1 30 LYS QG 3.400 . 5.000 2.025 1.903 2.115 . 0 0 "[ . 1 .]" 1
260 1 30 LYS H 1 31 LEU H 2.700 . 3.600 2.246 2.155 2.367 . 0 0 "[ . 1 .]" 1
261 1 30 LYS H 1 31 LEU QB 3.900 . 6.000 4.977 4.719 5.071 . 0 0 "[ . 1 .]" 1
262 1 30 LYS H 1 31 LEU QD 3.400 . 5.000 3.895 3.059 4.070 . 0 0 "[ . 1 .]" 1
263 1 30 LYS H 1 32 GLY H 3.400 . 5.000 3.567 3.460 3.790 . 0 0 "[ . 1 .]" 1
264 1 30 LYS H 1 93 TRP HE1 3.400 . 5.000 4.212 3.853 4.647 . 0 0 "[ . 1 .]" 1
265 1 30 LYS H 1 105 VAL QG 3.900 . 6.000 4.906 4.022 5.452 . 0 0 "[ . 1 .]" 1
266 1 30 LYS HA 1 31 LEU HA 3.205 . 4.610 4.545 4.530 4.573 . 0 0 "[ . 1 .]" 1
267 1 30 LYS HA 1 32 GLY H 3.400 . 5.000 4.200 3.994 4.354 . 0 0 "[ . 1 .]" 1
268 1 30 LYS QB 1 105 VAL HB 3.400 . 5.000 4.274 3.130 5.005 0.005 8 0 "[ . 1 .]" 1
269 1 30 LYS HB2 1 31 LEU H 3.400 . 5.000 3.539 3.401 3.696 . 0 0 "[ . 1 .]" 1
270 1 30 LYS HB3 1 31 LEU H 3.400 . 5.000 3.933 3.902 3.984 . 0 0 "[ . 1 .]" 1
271 1 30 LYS QG 1 31 LEU H 3.400 . 5.000 1.833 1.779 1.958 0.021 10 0 "[ . 1 .]" 1
272 1 30 LYS QG 1 32 GLY H 3.400 . 5.000 4.192 4.154 4.229 . 0 0 "[ . 1 .]" 1
273 1 30 LYS QG 1 105 VAL QG 3.400 . 5.000 3.293 2.827 3.780 . 0 0 "[ . 1 .]" 1
274 1 30 LYS HG2 1 31 LEU H 2.720 . 3.640 2.755 2.672 2.841 . 0 0 "[ . 1 .]" 1
275 1 30 LYS HG2 1 31 LEU QB 3.400 . 5.000 4.743 4.356 4.826 . 0 0 "[ . 1 .]" 1
276 1 30 LYS HG2 1 105 VAL MG1 3.400 . 5.000 4.653 4.118 5.010 0.010 5 0 "[ . 1 .]" 1
277 1 30 LYS HG2 1 105 VAL MG2 3.400 . 5.000 4.641 3.983 5.013 0.013 14 0 "[ . 1 .]" 1
278 1 30 LYS HG3 1 31 LEU H 2.700 . 3.600 1.861 1.803 1.995 . 0 0 "[ . 1 .]" 1
279 1 30 LYS HG3 1 31 LEU QB 2.515 . 3.230 3.159 2.708 3.238 0.008 6 0 "[ . 1 .]" 1
280 1 30 LYS HG3 1 32 GLY H 3.110 . 4.420 4.461 4.442 4.487 0.067 10 0 "[ . 1 .]" 1
281 1 30 LYS HG3 1 105 VAL MG1 3.400 . 5.000 4.145 3.359 5.000 . 0 0 "[ . 1 .]" 1
282 1 30 LYS HG3 1 105 VAL MG2 3.400 . 5.000 4.008 2.967 4.830 . 0 0 "[ . 1 .]" 1
283 1 31 LEU H 1 31 LEU QB 3.400 . 5.000 3.034 2.838 3.108 . 0 0 "[ . 1 .]" 1
284 1 31 LEU H 1 31 LEU QD 3.400 . 5.000 2.556 1.766 2.699 0.034 3 0 "[ . 1 .]" 1
285 1 31 LEU H 1 32 GLY H 2.700 . 3.600 2.657 2.524 2.767 . 0 0 "[ . 1 .]" 1
286 1 31 LEU H 1 32 GLY QA 3.400 . 5.000 4.011 3.917 4.116 . 0 0 "[ . 1 .]" 1
287 1 31 LEU H 1 93 TRP HD1 3.900 . 6.000 5.324 4.971 5.679 . 0 0 "[ . 1 .]" 1
288 1 31 LEU H 1 93 TRP HE1 3.900 . 6.000 5.031 4.462 5.555 . 0 0 "[ . 1 .]" 1
289 1 31 LEU QB 1 32 GLY H 3.400 . 5.000 4.011 4.000 4.039 . 0 0 "[ . 1 .]" 1
290 1 31 LEU HB2 1 32 GLY H 3.400 . 5.000 4.392 4.370 4.537 . 0 0 "[ . 1 .]" 1
291 1 31 LEU HB3 1 32 GLY H 3.400 . 5.000 4.637 4.529 4.651 . 0 0 "[ . 1 .]" 1
292 1 31 LEU QD 1 32 GLY H 3.400 . 5.000 3.446 3.351 3.573 . 0 0 "[ . 1 .]" 1
293 1 31 LEU MD1 1 32 GLY H 3.900 . 6.000 3.611 3.388 5.282 . 0 0 "[ . 1 .]" 1
294 1 31 LEU MD2 1 32 GLY H 3.900 . 6.000 5.222 3.454 5.381 . 0 0 "[ . 1 .]" 1
295 1 32 GLY H 1 33 THR H 3.400 . 5.000 4.508 4.412 4.603 . 0 0 "[ . 1 .]" 1
296 1 32 GLY H 1 93 TRP HB2 3.900 . 6.000 5.665 5.558 5.773 . 0 0 "[ . 1 .]" 1
297 1 32 GLY H 1 93 TRP HB3 3.090 . 4.380 4.406 4.385 4.422 0.042 1 0 "[ . 1 .]" 1
298 1 32 GLY H 1 93 TRP HD1 3.810 . 5.820 3.215 2.955 3.419 . 0 0 "[ . 1 .]" 1
299 1 32 GLY H 1 93 TRP HE1 3.565 . 5.330 3.405 3.030 3.824 . 0 0 "[ . 1 .]" 1
300 1 32 GLY QA 1 33 THR H 3.400 . 5.000 2.267 2.248 2.277 . 0 0 "[ . 1 .]" 1
301 1 32 GLY QA 1 34 GLY H 3.400 . 5.000 3.798 3.690 3.982 . 0 0 "[ . 1 .]" 1
302 1 32 GLY QA 1 93 TRP HE1 3.400 . 5.000 3.656 3.383 4.148 . 0 0 "[ . 1 .]" 1
303 1 32 GLY HA2 1 33 THR H 2.670 . 3.540 2.594 2.419 2.734 . 0 0 "[ . 1 .]" 1
304 1 32 GLY HA2 1 34 GLY H 3.155 . 4.510 4.304 4.063 4.516 0.006 4 0 "[ . 1 .]" 1
305 1 32 GLY HA2 1 93 TRP HE1 3.875 . 5.950 5.314 5.002 5.860 . 0 0 "[ . 1 .]" 1
306 1 32 GLY HA3 1 33 THR H 2.700 . 3.600 2.516 2.391 2.692 . 0 0 "[ . 1 .]" 1
307 1 32 GLY HA3 1 34 GLY H 3.155 . 4.510 4.239 3.997 4.484 . 0 0 "[ . 1 .]" 1
308 1 32 GLY HA3 1 93 TRP HE1 3.860 . 5.920 3.726 3.436 4.242 . 0 0 "[ . 1 .]" 1
309 1 33 THR H 1 33 THR HB 2.765 . 3.730 3.233 2.851 3.809 0.079 1 0 "[ . 1 .]" 1
310 1 33 THR H 1 33 THR HG1 3.300 . 4.800 3.479 2.311 4.423 . 0 0 "[ . 1 .]" 1
311 1 33 THR H 1 33 THR MG 3.400 . 5.000 3.749 3.239 3.991 . 0 0 "[ . 1 .]" 1
312 1 33 THR H 1 34 GLY H 3.400 . 5.000 1.871 1.772 2.049 0.028 14 0 "[ . 1 .]" 1
313 1 33 THR H 1 34 GLY QA 3.900 . 6.000 3.819 3.761 3.885 . 0 0 "[ . 1 .]" 1
314 1 33 THR H 1 35 ARG H 3.485 . 5.170 2.716 2.611 2.821 . 0 0 "[ . 1 .]" 1
315 1 33 THR H 1 93 TRP HB2 3.900 . 6.000 4.457 4.181 4.660 . 0 0 "[ . 1 .]" 1
316 1 33 THR H 1 93 TRP HB3 3.335 . 4.870 3.655 3.379 4.065 . 0 0 "[ . 1 .]" 1
317 1 33 THR H 1 93 TRP HD1 3.900 . 6.000 5.527 5.281 5.774 . 0 0 "[ . 1 .]" 1
318 1 33 THR H 1 93 TRP HE1 3.900 . 6.000 5.745 5.537 5.976 . 0 0 "[ . 1 .]" 1
319 1 33 THR H 1 93 TRP HH2 3.900 . 6.000 5.418 4.917 5.974 . 0 0 "[ . 1 .]" 1
320 1 33 THR H 1 93 TRP HZ3 3.900 . 6.000 4.437 3.822 5.028 . 0 0 "[ . 1 .]" 1
321 1 33 THR HA 1 34 GLY H 3.400 . 5.000 3.535 3.518 3.563 . 0 0 "[ . 1 .]" 1
322 1 33 THR HA 1 36 TRP HE1 3.340 . 4.880 4.846 4.620 4.895 0.015 9 0 "[ . 1 .]" 1
323 1 33 THR HA 1 94 THR H 3.040 . 4.280 4.300 4.285 4.317 0.037 10 0 "[ . 1 .]" 1
324 1 33 THR HB 1 34 GLY H 3.400 . 5.000 2.916 2.510 3.605 . 0 0 "[ . 1 .]" 1
325 1 33 THR HB 1 36 TRP H 3.650 . 5.500 4.937 4.400 5.527 0.027 11 0 "[ . 1 .]" 1
326 1 33 THR MG 1 34 GLY H 3.400 . 5.000 3.720 3.467 4.053 . 0 0 "[ . 1 .]" 1
327 1 33 THR MG 1 94 THR H 3.900 . 6.000 5.091 4.674 5.628 . 0 0 "[ . 1 .]" 1
328 1 34 GLY H 1 35 ARG H 2.700 . 3.600 1.777 1.748 1.796 0.052 3 0 "[ . 1 .]" 1
329 1 34 GLY H 1 36 TRP H 3.475 . 5.150 3.210 3.142 3.251 . 0 0 "[ . 1 .]" 1
330 1 34 GLY H 1 36 TRP QB 3.400 . 5.000 4.970 4.808 5.051 0.051 7 0 "[ . 1 .]" 1
331 1 34 GLY H 1 36 TRP HD1 2.975 . 4.150 3.041 2.807 3.338 . 0 0 "[ . 1 .]" 1
332 1 34 GLY H 1 36 TRP HE1 3.225 . 4.650 3.593 3.119 3.971 . 0 0 "[ . 1 .]" 1
333 1 34 GLY H 1 93 TRP HH2 3.900 . 6.000 5.529 5.300 5.775 . 0 0 "[ . 1 .]" 1
334 1 34 GLY H 1 93 TRP HZ2 4.150 . 6.500 6.516 6.439 6.540 0.040 14 0 "[ . 1 .]" 1
335 1 34 GLY H 1 93 TRP HZ3 3.900 . 6.000 3.967 3.631 4.264 . 0 0 "[ . 1 .]" 1
336 1 34 GLY QA 1 36 TRP HE1 3.400 . 5.000 2.864 2.195 4.054 . 0 0 "[ . 1 .]" 1
337 1 34 GLY QA 1 93 TRP HZ3 3.400 . 5.000 2.587 2.166 3.050 . 0 0 "[ . 1 .]" 1
338 1 34 GLY HA2 1 35 ARG H 3.400 . 5.000 3.013 2.936 3.096 . 0 0 "[ . 1 .]" 1
339 1 34 GLY HA2 1 36 TRP HE1 3.900 . 6.000 4.399 3.848 5.435 . 0 0 "[ . 1 .]" 1
340 1 34 GLY HA3 1 35 ARG H 3.400 . 5.000 3.457 3.416 3.486 . 0 0 "[ . 1 .]" 1
341 1 34 GLY HA3 1 36 TRP HE1 2.985 . 4.170 2.920 2.208 4.200 0.030 15 0 "[ . 1 .]" 1
342 1 35 ARG H 1 35 ARG HB2 2.960 . 4.120 3.912 3.837 3.957 . 0 0 "[ . 1 .]" 1
343 1 35 ARG H 1 35 ARG QB 3.400 . 5.000 2.910 2.810 3.327 . 0 0 "[ . 1 .]" 1
344 1 35 ARG H 1 35 ARG HB3 2.960 . 4.120 3.012 2.884 3.582 . 0 0 "[ . 1 .]" 1
345 1 35 ARG H 1 35 ARG HG2 3.550 . 5.300 3.781 3.326 4.338 . 0 0 "[ . 1 .]" 1
346 1 35 ARG H 1 35 ARG QG 3.400 . 5.000 3.385 2.379 3.912 . 0 0 "[ . 1 .]" 1
347 1 35 ARG H 1 35 ARG HG3 3.550 . 5.300 4.155 2.401 5.029 . 0 0 "[ . 1 .]" 1
348 1 35 ARG H 1 36 TRP H 3.400 . 5.000 2.870 2.826 2.913 . 0 0 "[ . 1 .]" 1
349 1 35 ARG H 1 36 TRP HD1 3.080 . 4.360 3.947 3.608 4.309 . 0 0 "[ . 1 .]" 1
350 1 35 ARG H 1 37 ARG H 3.275 . 4.750 4.787 4.728 4.828 0.078 10 0 "[ . 1 .]" 1
351 1 35 ARG H 1 55 LEU QD 3.900 . 6.000 5.503 5.075 5.835 . 0 0 "[ . 1 .]" 1
352 1 35 ARG H 1 93 TRP HZ3 3.085 . 4.370 3.162 2.721 3.615 . 0 0 "[ . 1 .]" 1
353 1 35 ARG HA 1 36 TRP H 3.400 . 5.000 2.954 2.890 3.049 . 0 0 "[ . 1 .]" 1
354 1 35 ARG HA 1 37 ARG H 2.825 . 3.850 3.737 3.562 3.882 0.032 13 0 "[ . 1 .]" 1
355 1 35 ARG HA 1 38 ASP H 3.125 . 4.450 3.079 2.970 3.224 . 0 0 "[ . 1 .]" 1
356 1 35 ARG QB 1 36 TRP H 3.400 . 5.000 4.017 3.899 4.049 . 0 0 "[ . 1 .]" 1
357 1 35 ARG HB2 1 36 TRP H 3.320 . 4.840 4.475 4.180 4.568 . 0 0 "[ . 1 .]" 1
358 1 35 ARG HB3 1 36 TRP H 3.320 . 4.840 4.557 4.402 4.664 . 0 0 "[ . 1 .]" 1
359 1 36 TRP H 1 36 TRP QB 3.400 . 5.000 2.626 2.549 2.732 . 0 0 "[ . 1 .]" 1
360 1 36 TRP H 1 36 TRP HD1 2.535 . 3.270 2.410 2.160 2.678 . 0 0 "[ . 1 .]" 1
361 1 36 TRP H 1 37 ARG H 2.750 . 3.700 2.712 2.557 2.800 . 0 0 "[ . 1 .]" 1
362 1 36 TRP H 1 37 ARG QG 3.400 . 5.000 3.750 3.571 4.265 . 0 0 "[ . 1 .]" 1
363 1 36 TRP H 1 38 ASP H 3.485 . 5.170 3.918 3.742 4.067 . 0 0 "[ . 1 .]" 1
364 1 36 TRP H 1 55 LEU QD 4.150 . 6.500 4.855 4.353 5.557 . 0 0 "[ . 1 .]" 1
365 1 36 TRP HA 1 37 ARG H 3.400 . 5.000 3.545 3.535 3.558 . 0 0 "[ . 1 .]" 1
366 1 36 TRP HA 1 39 VAL H 3.400 . 5.000 3.865 3.662 4.106 . 0 0 "[ . 1 .]" 1
367 1 37 ARG H 1 37 ARG HB2 2.705 . 3.610 3.582 3.567 3.604 . 0 0 "[ . 1 .]" 1
368 1 37 ARG H 1 37 ARG HB3 2.705 . 3.610 2.675 2.632 2.721 . 0 0 "[ . 1 .]" 1
369 1 37 ARG H 1 37 ARG HD2 3.050 . 4.300 3.947 1.771 4.375 0.075 5 0 "[ . 1 .]" 1
370 1 37 ARG H 1 37 ARG HD3 3.050 . 4.300 4.089 3.266 4.370 0.070 11 0 "[ . 1 .]" 1
371 1 37 ARG H 1 37 ARG HG2 2.865 . 3.930 1.900 1.804 2.449 . 0 0 "[ . 1 .]" 1
372 1 37 ARG H 1 37 ARG QG 3.400 . 5.000 1.887 1.795 2.415 0.005 5 0 "[ . 1 .]" 1
373 1 37 ARG H 1 37 ARG HG3 2.865 . 3.930 3.255 3.095 3.681 . 0 0 "[ . 1 .]" 1
374 1 37 ARG H 1 38 ASP H 3.400 . 5.000 2.529 2.466 2.639 . 0 0 "[ . 1 .]" 1
375 1 37 ARG H 1 39 VAL H 3.395 . 4.990 4.558 4.375 4.711 . 0 0 "[ . 1 .]" 1
376 1 37 ARG HA 1 39 VAL H 3.600 . 5.400 4.892 4.703 5.094 . 0 0 "[ . 1 .]" 1
377 1 37 ARG HA 1 41 LEU H 3.400 . 5.000 4.201 4.021 4.277 . 0 0 "[ . 1 .]" 1
378 1 37 ARG QB 1 38 ASP H 3.400 . 5.000 3.499 3.405 3.592 . 0 0 "[ . 1 .]" 1
379 1 37 ARG HB2 1 38 ASP H 3.400 . 5.000 3.812 3.688 3.928 . 0 0 "[ . 1 .]" 1
380 1 37 ARG HB3 1 38 ASP H 3.400 . 5.000 4.075 4.001 4.157 . 0 0 "[ . 1 .]" 1
381 1 37 ARG QG 1 38 ASP H 3.400 . 5.000 2.296 2.163 2.466 . 0 0 "[ . 1 .]" 1
382 1 37 ARG QG 1 39 VAL H 3.400 . 5.000 4.722 4.649 4.833 . 0 0 "[ . 1 .]" 1
383 1 38 ASP H 1 38 ASP QB 3.400 . 5.000 2.425 2.251 2.491 . 0 0 "[ . 1 .]" 1
384 1 38 ASP H 1 39 VAL H 2.700 . 3.600 2.776 2.628 2.898 . 0 0 "[ . 1 .]" 1
385 1 38 ASP H 1 41 LEU H 3.600 . 5.400 4.835 4.668 4.926 . 0 0 "[ . 1 .]" 1
386 1 38 ASP H 1 55 LEU QD 3.600 . 5.400 5.396 5.204 5.461 0.061 15 0 "[ . 1 .]" 1
387 1 38 ASP HA 1 39 VAL H 2.680 . 3.560 3.566 3.561 3.574 0.014 15 0 "[ . 1 .]" 1
388 1 38 ASP HA 1 40 LYS H 3.400 . 5.000 4.162 4.031 4.476 . 0 0 "[ . 1 .]" 1
389 1 38 ASP HA 1 41 LEU H 2.700 . 3.600 3.630 3.603 3.664 0.064 8 0 "[ . 1 .]" 1
390 1 38 ASP QB 1 39 VAL H 3.400 . 5.000 2.216 2.109 2.344 . 0 0 "[ . 1 .]" 1
391 1 39 VAL H 1 39 VAL HB 2.725 . 3.650 2.768 2.467 3.621 . 0 0 "[ . 1 .]" 1
392 1 39 VAL H 1 39 VAL MG1 3.400 . 5.000 2.300 1.954 3.763 . 0 0 "[ . 1 .]" 1
393 1 39 VAL H 1 39 VAL QG 3.400 . 5.000 1.984 1.807 2.145 . 0 0 "[ . 1 .]" 1
394 1 39 VAL H 1 39 VAL MG2 3.400 . 5.000 3.167 1.811 3.769 . 0 0 "[ . 1 .]" 1
395 1 39 VAL H 1 40 LYS H 2.605 . 3.410 2.686 2.601 2.815 . 0 0 "[ . 1 .]" 1
396 1 39 VAL H 1 40 LYS QB 3.900 . 6.000 4.521 4.312 4.700 . 0 0 "[ . 1 .]" 1
397 1 39 VAL H 1 41 LEU H 3.400 . 5.000 4.506 4.204 4.725 . 0 0 "[ . 1 .]" 1
398 1 39 VAL H 1 42 CYS QB 3.400 . 5.000 4.225 4.057 4.402 . 0 0 "[ . 1 .]" 1
399 1 39 VAL H 1 55 LEU QD 3.400 . 5.000 3.769 3.311 4.028 . 0 0 "[ . 1 .]" 1
400 1 39 VAL HA 1 43 ALA H 3.600 . 5.400 5.351 5.024 5.459 0.059 9 0 "[ . 1 .]" 1
401 1 39 VAL HB 1 40 LYS H 3.400 . 5.000 3.856 2.710 4.111 . 0 0 "[ . 1 .]" 1
402 1 39 VAL QG 1 56 LYS QB 4.150 . 6.500 5.942 4.531 6.506 0.006 5 0 "[ . 1 .]" 1
403 1 40 LYS H 1 40 LYS HB2 2.650 . 3.500 2.224 2.070 2.279 . 0 0 "[ . 1 .]" 1
404 1 40 LYS H 1 40 LYS QB 3.400 . 5.000 2.200 2.051 2.253 . 0 0 "[ . 1 .]" 1
405 1 40 LYS H 1 40 LYS HB3 2.650 . 3.500 3.505 3.342 3.542 0.042 13 0 "[ . 1 .]" 1
406 1 40 LYS H 1 41 LEU H 3.400 . 5.000 2.708 2.565 2.783 . 0 0 "[ . 1 .]" 1
407 1 40 LYS H 1 41 LEU QB 3.900 . 6.000 4.901 4.692 5.452 . 0 0 "[ . 1 .]" 1
408 1 40 LYS HA 1 41 LEU H 3.400 . 5.000 3.562 3.512 3.580 . 0 0 "[ . 1 .]" 1
409 1 40 LYS QB 1 41 LEU H 3.400 . 5.000 2.546 2.399 2.796 . 0 0 "[ . 1 .]" 1
410 1 40 LYS HB2 1 41 LEU H 3.400 . 5.000 2.684 2.488 2.939 . 0 0 "[ . 1 .]" 1
411 1 40 LYS HB3 1 41 LEU H 3.400 . 5.000 3.211 2.817 3.585 . 0 0 "[ . 1 .]" 1
412 1 41 LEU H 1 41 LEU QB 3.400 . 5.000 2.505 2.423 3.065 . 0 0 "[ . 1 .]" 1
413 1 41 LEU H 1 42 CYS H 3.400 . 5.000 2.562 2.414 2.596 . 0 0 "[ . 1 .]" 1
414 1 41 LEU H 1 42 CYS QB 3.400 . 5.000 4.228 4.109 4.394 . 0 0 "[ . 1 .]" 1
415 1 41 LEU H 1 43 ALA H 3.400 . 5.000 5.045 5.022 5.067 0.067 2 0 "[ . 1 .]" 1
416 1 41 LEU HA 1 42 CYS HA 3.535 . 5.270 4.805 4.778 4.836 . 0 0 "[ . 1 .]" 1
417 1 41 LEU HA 1 44 PHE H 3.035 . 4.270 3.324 3.250 3.486 . 0 0 "[ . 1 .]" 1
418 1 41 LEU HA 1 45 GLU H 3.600 . 5.400 5.455 5.421 5.482 0.082 3 0 "[ . 1 .]" 1
419 1 41 LEU QB 1 42 CYS H 3.400 . 5.000 3.754 3.651 3.984 . 0 0 "[ . 1 .]" 1
420 1 41 LEU HB2 1 42 CYS H 3.400 . 5.000 4.122 3.933 4.517 . 0 0 "[ . 1 .]" 1
421 1 41 LEU HB3 1 42 CYS H 3.400 . 5.000 4.361 4.042 4.644 . 0 0 "[ . 1 .]" 1
422 1 42 CYS H 1 42 CYS QB 3.400 . 5.000 2.293 2.240 2.536 . 0 0 "[ . 1 .]" 1
423 1 42 CYS H 1 43 ALA H 3.400 . 5.000 2.763 2.699 2.858 . 0 0 "[ . 1 .]" 1
424 1 42 CYS H 1 46 ASP H 3.145 . 4.490 4.535 4.476 4.566 0.076 4 0 "[ . 1 .]" 1
425 1 42 CYS QB 1 46 ASP H 3.400 . 5.000 3.300 3.036 4.325 . 0 0 "[ . 1 .]" 1
426 1 43 ALA H 1 43 ALA MB 3.400 . 5.000 2.920 2.891 2.948 . 0 0 "[ . 1 .]" 1
427 1 43 ALA H 1 44 PHE H 2.960 . 4.120 1.733 1.715 1.771 0.085 8 0 "[ . 1 .]" 1
428 1 43 ALA HA 1 44 PHE H 3.400 . 5.000 2.988 2.947 3.013 . 0 0 "[ . 1 .]" 1
429 1 43 ALA HA 1 45 GLU H 3.300 . 4.800 4.080 4.030 4.166 . 0 0 "[ . 1 .]" 1
430 1 43 ALA MB 1 44 PHE H 3.400 . 5.000 3.590 3.574 3.609 . 0 0 "[ . 1 .]" 1
431 1 43 ALA MB 1 47 ALA H 3.900 . 6.000 6.040 6.015 6.080 0.080 13 0 "[ . 1 .]" 1
432 1 44 PHE H 1 44 PHE HB2 2.895 . 3.990 3.400 3.190 3.647 . 0 0 "[ . 1 .]" 1
433 1 44 PHE H 1 44 PHE QB 3.400 . 5.000 3.168 3.015 3.397 . 0 0 "[ . 1 .]" 1
434 1 44 PHE H 1 44 PHE HB3 2.895 . 3.990 3.819 3.241 4.065 0.075 9 0 "[ . 1 .]" 1
435 1 44 PHE H 1 44 PHE HD1 3.220 . 4.640 4.411 4.328 4.701 0.061 15 0 "[ . 1 .]" 1
436 1 44 PHE H 1 45 GLU H 2.700 . 3.600 2.396 2.329 2.426 . 0 0 "[ . 1 .]" 1
437 1 44 PHE H 1 45 GLU HA 3.325 . 4.850 5.058 5.009 5.079 0.229 9 0 "[ . 1 .]" 1
438 1 44 PHE H 1 45 GLU QB 3.400 . 5.000 4.385 4.101 4.493 . 0 0 "[ . 1 .]" 1
439 1 44 PHE H 1 45 GLU QG 3.900 . 6.000 4.584 4.140 6.044 0.044 3 0 "[ . 1 .]" 1
440 1 44 PHE H 1 46 ASP H 3.335 . 4.870 4.066 3.961 4.226 . 0 0 "[ . 1 .]" 1
441 1 44 PHE H 1 47 ALA H 3.115 . 4.430 4.364 4.163 4.449 0.019 8 0 "[ . 1 .]" 1
442 1 44 PHE HA 1 45 GLU H 2.700 . 3.600 3.058 2.959 3.146 . 0 0 "[ . 1 .]" 1
443 1 44 PHE HA 1 46 ASP H 3.425 . 5.050 4.392 4.178 4.548 . 0 0 "[ . 1 .]" 1
444 1 44 PHE HA 1 47 ALA H 2.960 . 4.120 3.400 3.136 3.549 . 0 0 "[ . 1 .]" 1
445 1 44 PHE QB 1 45 GLU H 3.400 . 5.000 3.594 3.520 3.685 . 0 0 "[ . 1 .]" 1
446 1 44 PHE QB 1 45 GLU HA 3.400 . 5.000 4.285 4.160 4.821 . 0 0 "[ . 1 .]" 1
447 1 44 PHE HB2 1 45 GLU H 3.400 . 5.000 4.154 3.785 4.584 . 0 0 "[ . 1 .]" 1
448 1 44 PHE HB3 1 45 GLU H 3.400 . 5.000 4.050 3.731 4.443 . 0 0 "[ . 1 .]" 1
449 1 45 GLU H 1 45 GLU HB2 2.745 . 3.690 2.447 2.399 2.602 . 0 0 "[ . 1 .]" 1
450 1 45 GLU H 1 45 GLU QB 3.400 . 5.000 2.360 2.254 2.402 . 0 0 "[ . 1 .]" 1
451 1 45 GLU H 1 45 GLU HB3 2.745 . 3.690 3.393 2.517 3.617 . 0 0 "[ . 1 .]" 1
452 1 45 GLU H 1 45 GLU QG 3.400 . 5.000 2.813 2.473 4.043 . 0 0 "[ . 1 .]" 1
453 1 45 GLU H 1 46 ASP H 2.475 . 3.150 2.478 2.409 2.571 . 0 0 "[ . 1 .]" 1
454 1 45 GLU H 1 46 ASP QB 3.400 . 5.000 4.731 4.674 4.803 . 0 0 "[ . 1 .]" 1
455 1 45 GLU H 1 47 ALA H 2.810 . 3.820 3.546 3.329 3.651 . 0 0 "[ . 1 .]" 1
456 1 45 GLU H 1 47 ALA MB 3.400 . 5.000 3.971 3.775 4.070 . 0 0 "[ . 1 .]" 1
457 1 45 GLU HA 1 46 ASP H 2.700 . 3.600 3.556 3.546 3.563 . 0 0 "[ . 1 .]" 1
458 1 45 GLU HA 1 47 ALA H 3.135 . 4.470 4.092 3.919 4.227 . 0 0 "[ . 1 .]" 1
459 1 45 GLU QB 1 46 ASP H 3.400 . 5.000 2.364 2.225 2.521 . 0 0 "[ . 1 .]" 1
460 1 45 GLU QB 1 47 ALA H 3.400 . 5.000 4.338 4.196 4.438 . 0 0 "[ . 1 .]" 1
461 1 45 GLU HB2 1 46 ASP H 2.700 . 3.600 2.683 2.374 3.638 0.038 3 0 "[ . 1 .]" 1
462 1 45 GLU HB3 1 46 ASP H 2.700 . 3.600 3.198 2.245 3.553 . 0 0 "[ . 1 .]" 1
463 1 45 GLU QG 1 46 ASP H 3.900 . 6.000 3.904 3.420 4.078 . 0 0 "[ . 1 .]" 1
464 1 46 ASP H 1 46 ASP QB 3.400 . 5.000 2.514 2.459 2.566 . 0 0 "[ . 1 .]" 1
465 1 46 ASP H 1 47 ALA H 2.350 . 2.900 2.556 2.396 2.685 . 0 0 "[ . 1 .]" 1
466 1 46 ASP H 1 47 ALA MB 3.400 . 5.000 3.990 3.875 4.102 . 0 0 "[ . 1 .]" 1
467 1 46 ASP H 1 48 ASP H 3.285 . 4.770 4.636 4.531 4.703 . 0 0 "[ . 1 .]" 1
468 1 46 ASP HA 1 47 ALA H 3.400 . 5.000 2.978 2.899 3.079 . 0 0 "[ . 1 .]" 1
469 1 46 ASP HA 1 49 HIS H 2.925 . 4.050 3.404 3.190 3.954 . 0 0 "[ . 1 .]" 1
470 1 46 ASP QB 1 47 ALA H 3.400 . 5.000 3.740 3.644 3.797 . 0 0 "[ . 1 .]" 1
471 1 46 ASP QB 1 49 HIS H 3.400 . 5.000 3.452 3.284 4.230 . 0 0 "[ . 1 .]" 1
472 1 46 ASP QB 1 49 HIS QB 3.400 . 5.000 5.026 5.008 5.062 0.062 12 0 "[ . 1 .]" 1
473 1 46 ASP QB 1 50 ARG H 3.400 . 5.000 3.733 3.285 5.028 0.028 13 0 "[ . 1 .]" 1
474 1 46 ASP HB2 1 47 ALA H 3.400 . 5.000 4.054 3.881 4.492 . 0 0 "[ . 1 .]" 1
475 1 46 ASP HB3 1 47 ALA H 3.400 . 5.000 4.417 4.005 4.459 . 0 0 "[ . 1 .]" 1
476 1 47 ALA H 1 47 ALA HA 2.350 . 2.900 2.820 2.792 2.829 . 0 0 "[ . 1 .]" 1
477 1 47 ALA H 1 47 ALA MB 3.400 . 5.000 2.236 2.230 2.240 . 0 0 "[ . 1 .]" 1
478 1 47 ALA H 1 48 ASP H 2.715 . 3.630 2.696 2.631 2.755 . 0 0 "[ . 1 .]" 1
479 1 47 ALA H 1 48 ASP HA 3.650 . 5.500 5.242 5.171 5.285 . 0 0 "[ . 1 .]" 1
480 1 47 ALA H 1 49 HIS H 3.540 . 5.280 4.181 4.052 4.310 . 0 0 "[ . 1 .]" 1
481 1 47 ALA HA 1 48 ASP H 3.400 . 5.000 3.328 3.272 3.447 . 0 0 "[ . 1 .]" 1
482 1 47 ALA HA 1 49 HIS H 2.925 . 4.050 3.849 3.459 4.080 0.030 8 0 "[ . 1 .]" 1
483 1 47 ALA MB 1 48 ASP H 3.400 . 5.000 3.198 2.931 3.311 . 0 0 "[ . 1 .]" 1
484 1 47 ALA MB 1 49 HIS H 3.400 . 5.000 4.536 4.285 4.686 . 0 0 "[ . 1 .]" 1
485 1 48 ASP H 1 50 ARG H 3.555 . 5.310 5.315 5.201 5.337 0.027 12 0 "[ . 1 .]" 1
486 1 48 ASP HA 1 49 HIS H 3.400 . 5.000 3.320 3.201 3.453 . 0 0 "[ . 1 .]" 1
487 1 48 ASP QB 1 49 HIS H 3.400 . 5.000 3.314 2.901 3.906 . 0 0 "[ . 1 .]" 1
488 1 48 ASP HB2 1 49 HIS H 3.400 . 5.000 3.739 3.176 4.344 . 0 0 "[ . 1 .]" 1
489 1 48 ASP HB3 1 49 HIS H 3.400 . 5.000 3.976 2.969 4.427 . 0 0 "[ . 1 .]" 1
490 1 49 HIS H 1 49 HIS QB 3.400 . 5.000 3.307 2.895 3.400 . 0 0 "[ . 1 .]" 1
491 1 49 HIS H 1 50 ARG H 3.400 . 5.000 3.687 3.510 3.834 . 0 0 "[ . 1 .]" 1
492 1 49 HIS HA 1 50 ARG H 3.400 . 5.000 2.156 2.133 2.216 . 0 0 "[ . 1 .]" 1
493 1 50 ARG H 1 50 ARG QB 3.400 . 5.000 2.388 2.276 2.504 . 0 0 "[ . 1 .]" 1
494 1 50 ARG H 1 51 THR H 3.400 . 5.000 2.764 2.518 3.142 . 0 0 "[ . 1 .]" 1
495 1 50 ARG HA 1 51 THR H 3.400 . 5.000 3.568 3.541 3.579 . 0 0 "[ . 1 .]" 1
496 1 50 ARG HB2 1 51 THR H 3.650 . 5.500 2.748 1.854 3.719 . 0 0 "[ . 1 .]" 1
497 1 50 ARG HB3 1 51 THR H 3.650 . 5.500 2.593 1.865 3.174 . 0 0 "[ . 1 .]" 1
498 1 51 THR H 1 51 THR HB 2.920 . 4.040 3.210 2.984 3.920 . 0 0 "[ . 1 .]" 1
499 1 51 THR H 1 52 TYR H 3.175 . 4.550 4.368 4.339 4.393 . 0 0 "[ . 1 .]" 1
500 1 51 THR H 1 52 TYR HA 3.650 . 5.500 4.859 4.773 5.046 . 0 0 "[ . 1 .]" 1
501 1 51 THR H 1 55 LEU H 3.325 . 4.850 3.063 2.535 3.350 . 0 0 "[ . 1 .]" 1
502 1 51 THR H 1 55 LEU HB2 3.015 . 4.230 3.595 2.947 4.287 0.057 15 0 "[ . 1 .]" 1
503 1 51 THR H 1 55 LEU QB 3.400 . 5.000 3.174 2.671 3.606 . 0 0 "[ . 1 .]" 1
504 1 51 THR H 1 55 LEU HB3 3.015 . 4.230 3.966 2.698 4.281 0.051 11 0 "[ . 1 .]" 1
505 1 51 THR HA 1 52 TYR H 3.400 . 5.000 2.422 2.307 2.597 . 0 0 "[ . 1 .]" 1
506 1 51 THR HB 1 52 TYR H 2.725 . 3.650 3.253 2.027 3.662 0.012 1 0 "[ . 1 .]" 1
507 1 51 THR HB 1 53 VAL H 2.955 . 4.110 3.384 2.837 3.622 . 0 0 "[ . 1 .]" 1
508 1 51 THR HB 1 54 ASP H 2.970 . 4.140 2.419 2.154 3.702 . 0 0 "[ . 1 .]" 1
509 1 51 THR MG 1 52 TYR HD1 3.400 . 5.000 2.051 1.778 3.782 0.022 15 0 "[ . 1 .]" 1
510 1 51 THR MG 1 53 VAL H 3.400 . 5.000 2.616 1.988 4.562 . 0 0 "[ . 1 .]" 1
511 1 51 THR MG 1 54 ASP H 3.400 . 5.000 3.114 2.655 4.191 . 0 0 "[ . 1 .]" 1
512 1 52 TYR H 1 52 TYR HB2 2.860 . 3.920 3.607 3.596 3.614 . 0 0 "[ . 1 .]" 1
513 1 52 TYR H 1 52 TYR QB 3.400 . 5.000 2.438 2.424 2.455 . 0 0 "[ . 1 .]" 1
514 1 52 TYR H 1 52 TYR HB3 2.860 . 3.920 2.479 2.465 2.497 . 0 0 "[ . 1 .]" 1
515 1 52 TYR H 1 52 TYR HD1 2.590 . 3.380 1.708 1.691 1.723 0.109 8 0 "[ . 1 .]" 1
516 1 52 TYR H 1 52 TYR HE1 2.960 . 4.120 4.128 4.114 4.142 0.022 15 0 "[ . 1 .]" 1
517 1 52 TYR H 1 53 VAL H 3.400 . 5.000 2.814 2.778 2.861 . 0 0 "[ . 1 .]" 1
518 1 52 TYR H 1 53 VAL HB 3.620 . 5.440 5.070 4.970 5.158 . 0 0 "[ . 1 .]" 1
519 1 52 TYR H 1 53 VAL QG 3.400 . 5.000 4.387 4.294 4.500 . 0 0 "[ . 1 .]" 1
520 1 52 TYR H 1 54 ASP H 3.140 . 4.480 4.106 3.995 4.304 . 0 0 "[ . 1 .]" 1
521 1 52 TYR HA 1 55 LEU H 3.400 . 5.000 3.964 3.710 4.109 . 0 0 "[ . 1 .]" 1
522 1 52 TYR HA 1 56 LYS H 3.400 . 5.000 4.196 3.929 4.321 . 0 0 "[ . 1 .]" 1
523 1 52 TYR QB 1 52 TYR HE2 3.400 . 5.000 4.307 4.303 4.311 . 0 0 "[ . 1 .]" 1
524 1 52 TYR QB 1 53 VAL H 3.400 . 5.000 3.400 3.390 3.410 . 0 0 "[ . 1 .]" 1
525 1 52 TYR HB2 1 52 TYR HD2 2.660 . 3.520 2.281 2.276 2.285 . 0 0 "[ . 1 .]" 1
526 1 52 TYR HB2 1 52 TYR HE2 3.270 . 4.740 4.595 4.591 4.598 . 0 0 "[ . 1 .]" 1
527 1 52 TYR HB2 1 53 VAL H 2.775 . 3.750 3.765 3.751 3.782 0.032 3 0 "[ . 1 .]" 1
528 1 52 TYR HB3 1 53 VAL H 2.965 . 4.130 3.872 3.855 3.892 . 0 0 "[ . 1 .]" 1
529 1 52 TYR HD1 1 53 VAL H 2.975 . 4.150 2.340 2.266 2.408 . 0 0 "[ . 1 .]" 1
530 1 52 TYR HD1 1 54 ASP H 3.005 . 4.210 4.251 4.212 4.270 0.060 3 0 "[ . 1 .]" 1
531 1 52 TYR HD1 1 55 LEU H 3.900 . 6.000 5.656 5.548 5.865 . 0 0 "[ . 1 .]" 1
532 1 52 TYR HD2 1 53 VAL H 3.040 . 4.280 4.249 4.187 4.283 0.003 12 0 "[ . 1 .]" 1
533 1 52 TYR HE1 1 53 VAL H 3.325 . 4.850 3.554 3.512 3.598 . 0 0 "[ . 1 .]" 1
534 1 52 TYR HE2 1 53 VAL H 3.420 . 5.040 5.020 4.964 5.053 0.013 11 0 "[ . 1 .]" 1
535 1 53 VAL H 1 53 VAL HB 2.440 . 3.080 2.470 2.395 2.533 . 0 0 "[ . 1 .]" 1
536 1 53 VAL H 1 53 VAL QG 3.400 . 5.000 2.322 2.232 2.444 . 0 0 "[ . 1 .]" 1
537 1 53 VAL H 1 54 ASP H 2.700 . 3.600 2.495 2.431 2.572 . 0 0 "[ . 1 .]" 1
538 1 53 VAL H 1 54 ASP QB 3.400 . 5.000 4.421 4.374 4.455 . 0 0 "[ . 1 .]" 1
539 1 53 VAL H 1 55 LEU H 3.400 . 5.000 4.162 4.003 4.348 . 0 0 "[ . 1 .]" 1
540 1 53 VAL H 1 56 LYS H 3.650 . 5.500 4.588 4.504 4.809 . 0 0 "[ . 1 .]" 1
541 1 53 VAL HA 1 55 LEU H 3.400 . 5.000 4.503 4.249 4.714 . 0 0 "[ . 1 .]" 1
542 1 53 VAL HA 1 56 LYS H 3.400 . 5.000 3.310 3.129 3.648 . 0 0 "[ . 1 .]" 1
543 1 53 VAL HA 1 57 ASP H 3.095 . 4.390 4.147 3.962 4.275 . 0 0 "[ . 1 .]" 1
544 1 53 VAL HB 1 54 ASP H 3.400 . 5.000 2.707 2.527 2.862 . 0 0 "[ . 1 .]" 1
545 1 53 VAL QG 1 54 ASP H 3.400 . 5.000 3.190 3.084 3.322 . 0 0 "[ . 1 .]" 1
546 1 53 VAL QG 1 55 LEU H 3.900 . 6.000 4.668 4.540 4.800 . 0 0 "[ . 1 .]" 1
547 1 53 VAL QG 1 83 LEU MD2 3.900 . 6.000 4.618 4.355 4.878 . 0 0 "[ . 1 .]" 1
548 1 53 VAL QG 1 86 VAL MG1 3.900 . 6.000 5.409 4.800 5.654 . 0 0 "[ . 1 .]" 1
549 1 53 VAL QG 1 87 LEU MD1 3.400 . 5.000 4.758 4.469 5.602 0.602 15 2 "[ . -1 +]" 1
550 1 54 ASP H 1 54 ASP HB2 2.725 . 3.650 2.402 2.333 2.441 . 0 0 "[ . 1 .]" 1
551 1 54 ASP H 1 54 ASP QB 3.400 . 5.000 2.368 2.304 2.403 . 0 0 "[ . 1 .]" 1
552 1 54 ASP H 1 54 ASP HB3 2.725 . 3.650 3.589 3.574 3.595 . 0 0 "[ . 1 .]" 1
553 1 54 ASP H 1 55 LEU H 3.400 . 5.000 2.751 2.622 2.851 . 0 0 "[ . 1 .]" 1
554 1 54 ASP H 1 55 LEU QB 3.900 . 6.000 4.474 4.293 4.753 . 0 0 "[ . 1 .]" 1
555 1 54 ASP H 1 56 LYS H 3.550 . 5.300 4.009 3.795 4.288 . 0 0 "[ . 1 .]" 1
556 1 54 ASP H 1 57 ASP H 3.400 . 5.000 4.556 4.473 4.621 . 0 0 "[ . 1 .]" 1
557 1 54 ASP H 1 57 ASP QB 3.400 . 5.000 4.724 4.310 5.029 0.029 15 0 "[ . 1 .]" 1
558 1 54 ASP HA 1 55 LEU HA 3.610 . 5.420 4.777 4.749 4.825 . 0 0 "[ . 1 .]" 1
559 1 54 ASP HA 1 57 ASP H 3.400 . 5.000 3.345 3.122 3.528 . 0 0 "[ . 1 .]" 1
560 1 54 ASP QB 1 55 LEU H 3.400 . 5.000 2.461 2.340 2.579 . 0 0 "[ . 1 .]" 1
561 1 54 ASP QB 1 57 ASP QB 3.400 . 5.000 4.017 3.697 4.317 . 0 0 "[ . 1 .]" 1
562 1 54 ASP HB2 1 55 LEU H 3.400 . 5.000 2.527 2.391 2.666 . 0 0 "[ . 1 .]" 1
563 1 54 ASP HB3 1 55 LEU H 2.980 . 4.160 3.396 3.196 3.590 . 0 0 "[ . 1 .]" 1
564 1 55 LEU H 1 55 LEU HB2 2.850 . 3.900 2.805 2.374 3.521 . 0 0 "[ . 1 .]" 1
565 1 55 LEU H 1 55 LEU QB 3.400 . 5.000 2.193 2.104 2.232 . 0 0 "[ . 1 .]" 1
566 1 55 LEU H 1 55 LEU HB3 2.850 . 3.900 2.341 2.123 2.580 . 0 0 "[ . 1 .]" 1
567 1 55 LEU H 1 55 LEU QD 3.400 . 5.000 3.584 3.149 3.757 . 0 0 "[ . 1 .]" 1
568 1 55 LEU H 1 56 LYS H 3.400 . 5.000 2.623 2.534 2.741 . 0 0 "[ . 1 .]" 1
569 1 55 LEU H 1 56 LYS QB 3.900 . 6.000 4.428 4.285 4.755 . 0 0 "[ . 1 .]" 1
570 1 55 LEU H 1 57 ASP H 2.940 . 4.080 3.832 3.661 4.002 . 0 0 "[ . 1 .]" 1
571 1 55 LEU HA 1 57 ASP H 3.080 . 4.360 3.942 3.814 4.047 . 0 0 "[ . 1 .]" 1
572 1 55 LEU QB 1 56 LYS H 3.400 . 5.000 2.734 2.329 3.431 . 0 0 "[ . 1 .]" 1
573 1 55 LEU HB2 1 56 LYS H 3.400 . 5.000 3.955 3.753 4.152 . 0 0 "[ . 1 .]" 1
574 1 55 LEU HB3 1 56 LYS H 2.890 . 3.980 2.807 2.351 3.684 . 0 0 "[ . 1 .]" 1
575 1 55 LEU QD 1 56 LYS H 3.400 . 5.000 3.037 2.601 3.827 . 0 0 "[ . 1 .]" 1
576 1 55 LEU QD 1 56 LYS QB 3.400 . 5.000 3.435 2.981 4.400 . 0 0 "[ . 1 .]" 1
577 1 56 LYS H 1 56 LYS HB2 2.785 . 3.770 2.727 2.219 3.572 . 0 0 "[ . 1 .]" 1
578 1 56 LYS H 1 56 LYS QB 3.400 . 5.000 2.243 2.167 2.310 . 0 0 "[ . 1 .]" 1
579 1 56 LYS H 1 56 LYS HB3 2.785 . 3.770 2.526 2.188 3.512 . 0 0 "[ . 1 .]" 1
580 1 56 LYS H 1 56 LYS QE 3.400 . 5.000 4.312 3.817 5.045 0.045 13 0 "[ . 1 .]" 1
581 1 56 LYS H 1 56 LYS QG 3.400 . 5.000 3.688 2.601 4.056 . 0 0 "[ . 1 .]" 1
582 1 56 LYS H 1 57 ASP H 3.400 . 5.000 2.539 2.396 2.651 . 0 0 "[ . 1 .]" 1
583 1 56 LYS H 1 57 ASP QB 3.400 . 5.000 4.401 4.133 4.562 . 0 0 "[ . 1 .]" 1
584 1 56 LYS HA 1 58 LYS H 3.150 . 4.500 4.425 4.174 4.538 0.038 1 0 "[ . 1 .]" 1
585 1 56 LYS QB 1 57 ASP H 3.400 . 5.000 3.052 2.811 3.639 . 0 0 "[ . 1 .]" 1
586 1 56 LYS HB2 1 57 ASP H 3.400 . 5.000 4.040 3.347 4.233 . 0 0 "[ . 1 .]" 1
587 1 56 LYS HB2 1 86 VAL MG1 4.150 . 6.500 4.435 2.778 5.736 . 0 0 "[ . 1 .]" 1
588 1 56 LYS HB3 1 57 ASP H 3.400 . 5.000 3.211 2.867 3.967 . 0 0 "[ . 1 .]" 1
589 1 56 LYS QD 1 60 LYS H 3.400 . 3.930 3.751 3.550 3.808 . 0 0 "[ . 1 .]" 1
590 1 56 LYS QG 1 59 TRP H 3.400 . 5.000 4.994 4.810 5.090 0.090 5 0 "[ . 1 .]" 1
591 1 56 LYS QG 1 60 LYS H 3.900 . 5.000 4.285 3.879 5.080 0.080 5 0 "[ . 1 .]" 1
592 1 57 ASP H 1 57 ASP HA 2.290 . 2.780 2.837 2.814 2.856 0.076 12 0 "[ . 1 .]" 1
593 1 57 ASP H 1 57 ASP QB 3.400 . 5.000 2.294 2.239 2.369 . 0 0 "[ . 1 .]" 1
594 1 57 ASP H 1 58 LYS H 2.700 . 3.600 2.562 2.462 2.671 . 0 0 "[ . 1 .]" 1
595 1 57 ASP H 1 59 TRP H 3.400 . 5.000 3.793 3.620 3.927 . 0 0 "[ . 1 .]" 1
596 1 57 ASP HA 1 58 LYS H 2.700 . 3.600 3.535 3.515 3.549 . 0 0 "[ . 1 .]" 1
597 1 57 ASP HA 1 58 LYS HA 3.600 . 5.400 4.776 4.698 4.827 . 0 0 "[ . 1 .]" 1
598 1 57 ASP HA 1 60 LYS H 3.400 . 5.000 3.420 3.079 3.914 . 0 0 "[ . 1 .]" 1
599 1 57 ASP QB 1 58 LYS H 3.400 . 5.000 2.468 2.292 2.650 . 0 0 "[ . 1 .]" 1
600 1 57 ASP QB 1 60 LYS H 3.900 . 6.000 4.942 4.654 5.286 . 0 0 "[ . 1 .]" 1
601 1 57 ASP HB2 1 58 LYS H 2.700 . 3.600 3.185 2.562 3.668 0.068 14 0 "[ . 1 .]" 1
602 1 57 ASP HB3 1 58 LYS H 2.700 . 3.600 2.939 2.317 3.612 0.012 3 0 "[ . 1 .]" 1
603 1 58 LYS H 1 58 LYS HB2 2.685 . 3.570 2.492 2.285 2.647 . 0 0 "[ . 1 .]" 1
604 1 58 LYS H 1 58 LYS QB 3.400 . 5.000 2.365 2.229 2.490 . 0 0 "[ . 1 .]" 1
605 1 58 LYS H 1 58 LYS HB3 2.685 . 3.570 3.180 2.484 3.594 0.024 10 0 "[ . 1 .]" 1
606 1 58 LYS H 1 59 TRP H 2.700 . 3.600 2.567 2.420 2.685 . 0 0 "[ . 1 .]" 1
607 1 58 LYS H 1 59 TRP QB 3.400 . 5.000 4.243 4.111 4.361 . 0 0 "[ . 1 .]" 1
608 1 58 LYS H 1 59 TRP HB3 3.335 . 4.870 4.442 4.321 4.537 . 0 0 "[ . 1 .]" 1
609 1 58 LYS H 1 60 LYS H 3.280 . 4.760 4.236 3.928 4.346 . 0 0 "[ . 1 .]" 1
610 1 58 LYS H 1 61 THR H 3.540 . 5.280 4.755 4.631 4.883 . 0 0 "[ . 1 .]" 1
611 1 58 LYS HA 1 59 TRP HA 3.650 . 5.500 4.745 4.687 4.779 . 0 0 "[ . 1 .]" 1
612 1 58 LYS HA 1 61 THR H 3.400 . 5.000 3.598 3.454 3.762 . 0 0 "[ . 1 .]" 1
613 1 58 LYS HA 1 62 LEU H 3.650 . 5.500 4.158 3.979 4.317 . 0 0 "[ . 1 .]" 1
614 1 58 LYS QB 1 59 TRP H 3.400 . 5.000 2.762 2.627 2.880 . 0 0 "[ . 1 .]" 1
615 1 58 LYS HB2 1 59 TRP H 3.400 . 5.000 3.288 2.763 4.073 . 0 0 "[ . 1 .]" 1
616 1 58 LYS HB3 1 59 TRP H 3.400 . 5.000 3.417 2.676 3.936 . 0 0 "[ . 1 .]" 1
617 1 59 TRP H 1 59 TRP QB 3.400 . 5.000 2.100 2.080 2.146 . 0 0 "[ . 1 .]" 1
618 1 59 TRP H 1 59 TRP HB3 2.455 . 3.110 2.147 2.116 2.202 . 0 0 "[ . 1 .]" 1
619 1 59 TRP H 1 59 TRP HD1 3.000 . 4.200 4.202 3.679 4.290 0.090 5 0 "[ . 1 .]" 1
620 1 59 TRP H 1 60 LYS H 2.485 . 3.170 2.530 2.295 2.593 . 0 0 "[ . 1 .]" 1
621 1 59 TRP H 1 61 THR H 3.400 . 5.000 3.841 3.752 3.922 . 0 0 "[ . 1 .]" 1
622 1 59 TRP H 1 62 LEU HB3 3.900 . 6.000 4.632 4.382 5.983 . 0 0 "[ . 1 .]" 1
623 1 59 TRP H 1 62 LEU QD 3.900 . 6.000 4.700 4.063 5.314 . 0 0 "[ . 1 .]" 1
624 1 59 TRP H 1 86 VAL MG1 4.150 . 6.500 5.532 5.305 6.833 0.333 1 0 "[ . 1 .]" 1
625 1 59 TRP HA 1 60 LYS H 3.400 . 5.000 3.536 3.460 3.553 . 0 0 "[ . 1 .]" 1
626 1 59 TRP HA 1 62 LEU H 3.400 . 5.000 3.238 3.053 3.525 . 0 0 "[ . 1 .]" 1
627 1 59 TRP HA 1 63 VAL H 3.900 . 6.000 4.383 4.107 4.526 . 0 0 "[ . 1 .]" 1
628 1 59 TRP QB 1 60 LYS H 3.400 . 5.000 2.648 2.495 3.115 . 0 0 "[ . 1 .]" 1
629 1 59 TRP HB2 1 60 LYS H 3.400 . 5.000 3.984 3.883 4.250 . 0 0 "[ . 1 .]" 1
630 1 59 TRP HB3 1 59 TRP HE1 3.385 . 4.970 4.802 4.792 4.834 . 0 0 "[ . 1 .]" 1
631 1 59 TRP HB3 1 60 LYS H 2.700 . 3.600 2.689 2.525 3.203 . 0 0 "[ . 1 .]" 1
632 1 59 TRP HD1 1 60 LYS H 2.680 . 3.560 2.614 2.482 2.703 . 0 0 "[ . 1 .]" 1
633 1 59 TRP HD1 1 61 THR H 3.400 . 5.000 5.022 4.901 5.074 0.074 14 0 "[ . 1 .]" 1
634 1 59 TRP HE1 1 60 LYS H 3.400 . 5.000 5.010 4.930 5.036 0.036 15 0 "[ . 1 .]" 1
635 1 59 TRP HE1 1 60 LYS HA 3.005 . 4.210 4.003 3.945 4.056 . 0 0 "[ . 1 .]" 1
636 1 59 TRP HE1 1 60 LYS QB 4.150 . 6.500 4.575 4.223 4.838 . 0 0 "[ . 1 .]" 1
637 1 59 TRP HE1 1 60 LYS QG 3.900 . 6.000 5.484 5.009 6.010 0.010 10 0 "[ . 1 .]" 1
638 1 59 TRP HE1 1 63 VAL MG1 3.400 . 5.000 4.085 3.745 4.683 . 0 0 "[ . 1 .]" 1
639 1 59 TRP HE1 1 90 HIS HA 3.900 . 6.000 6.044 6.004 6.076 0.076 11 0 "[ . 1 .]" 1
640 1 59 TRP HE1 1 93 TRP HZ2 3.770 . 5.740 5.412 5.018 5.721 . 0 0 "[ . 1 .]" 1
641 1 59 TRP HZ2 1 93 TRP HE1 3.600 . 5.400 5.372 5.201 5.431 0.031 8 0 "[ . 1 .]" 1
642 1 59 TRP HZ2 1 93 TRP HH2 3.815 . 5.830 3.069 2.535 4.016 . 0 0 "[ . 1 .]" 1
643 1 59 TRP HZ2 1 93 TRP HZ2 3.315 . 4.830 2.970 2.721 3.551 . 0 0 "[ . 1 .]" 1
644 1 59 TRP HZ2 1 93 TRP HZ3 3.900 . 6.000 5.222 4.875 5.888 . 0 0 "[ . 1 .]" 1
645 1 59 TRP NE1 1 63 VAL MG2 3.900 . 6.000 3.953 3.708 4.168 . 0 0 "[ . 1 .]" 1
646 1 60 LYS H 1 60 LYS HB3 2.320 . 2.840 2.396 2.148 2.666 . 0 0 "[ . 1 .]" 1
647 1 60 LYS H 1 60 LYS QG 3.400 . 5.000 3.869 2.131 4.035 . 0 0 "[ . 1 .]" 1
648 1 60 LYS H 1 61 THR H 3.400 . 5.000 2.672 2.530 2.766 . 0 0 "[ . 1 .]" 1
649 1 60 LYS H 1 62 LEU H 3.400 . 5.000 3.899 3.660 4.052 . 0 0 "[ . 1 .]" 1
650 1 60 LYS H 1 62 LEU QD 3.400 . 5.000 5.039 4.753 5.154 0.154 14 0 "[ . 1 .]" 1
651 1 60 LYS H 1 63 VAL MG1 3.900 . 6.000 5.298 4.904 5.639 . 0 0 "[ . 1 .]" 1
652 1 60 LYS H 1 63 VAL MG2 3.900 . 6.000 4.272 4.133 4.488 . 0 0 "[ . 1 .]" 1
653 1 60 LYS H 1 86 VAL MG1 4.150 . 6.500 3.880 3.533 4.891 . 0 0 "[ . 1 .]" 1
654 1 60 LYS HA 1 61 THR H 2.700 . 3.600 3.503 3.480 3.528 . 0 0 "[ . 1 .]" 1
655 1 60 LYS HA 1 61 THR HA 3.320 . 4.840 4.699 4.676 4.743 . 0 0 "[ . 1 .]" 1
656 1 60 LYS HA 1 63 VAL H 3.400 . 5.000 3.674 3.376 3.806 . 0 0 "[ . 1 .]" 1
657 1 60 LYS HA 1 64 HIS H 3.400 . 5.000 4.128 4.008 4.219 . 0 0 "[ . 1 .]" 1
658 1 60 LYS HB2 1 61 THR H 3.400 . 5.000 4.027 3.786 4.206 . 0 0 "[ . 1 .]" 1
659 1 60 LYS HB3 1 62 LEU H 3.650 . 5.500 4.924 4.719 5.543 0.043 10 0 "[ . 1 .]" 1
660 1 60 LYS QE 1 82 LEU QB 3.400 . 5.000 2.890 2.433 3.386 . 0 0 "[ . 1 .]" 1
661 1 60 LYS QE 1 83 LEU H 3.400 . 5.000 4.456 3.766 5.001 0.001 9 0 "[ . 1 .]" 1
662 1 60 LYS HE2 1 61 THR H 3.650 . 5.500 4.468 2.946 5.225 . 0 0 "[ . 1 .]" 1
663 1 60 LYS HE2 1 82 LEU QB 3.605 . 4.620 3.402 2.583 4.193 . 0 0 "[ . 1 .]" 1
664 1 60 LYS HE2 1 83 LEU H 3.900 . 6.000 5.357 4.448 6.115 0.115 11 0 "[ . 1 .]" 1
665 1 60 LYS HE3 1 61 THR H 3.650 . 5.500 5.262 3.975 5.550 0.050 3 0 "[ . 1 .]" 1
666 1 60 LYS HE3 1 82 LEU QB 3.160 . 4.520 3.493 2.454 4.372 . 0 0 "[ . 1 .]" 1
667 1 60 LYS QG 1 61 THR H 3.400 . 5.000 3.744 2.284 4.052 . 0 0 "[ . 1 .]" 1
668 1 60 LYS QG 1 62 LEU H 3.900 . 6.000 5.154 4.227 5.291 . 0 0 "[ . 1 .]" 1
669 1 60 LYS QG 1 64 HIS H 3.400 . 5.000 4.240 4.029 4.989 . 0 0 "[ . 1 .]" 1
670 1 60 LYS QG 1 82 LEU QB 3.400 . 5.000 2.502 1.978 4.221 . 0 0 "[ . 1 .]" 1
671 1 60 LYS QG 1 82 LEU QD 3.400 . 5.000 2.898 1.951 3.481 . 0 0 "[ . 1 .]" 1
672 1 60 LYS HG2 1 82 LEU MD2 3.900 . 6.000 4.666 3.148 6.830 0.830 10 1 "[ . + .]" 1
673 1 60 LYS HG3 1 82 LEU QB 3.155 . 4.510 3.210 2.281 4.377 . 0 0 "[ . 1 .]" 1
674 1 60 LYS HG3 1 82 LEU MD2 4.150 . 6.500 5.363 4.360 6.104 . 0 0 "[ . 1 .]" 1
675 1 61 THR H 1 61 THR HB 2.430 . 3.060 2.551 2.449 2.728 . 0 0 "[ . 1 .]" 1
676 1 61 THR H 1 61 THR MG 3.400 . 5.000 3.435 1.968 3.798 . 0 0 "[ . 1 .]" 1
677 1 61 THR H 1 62 LEU H 2.700 . 3.600 2.306 2.199 2.532 . 0 0 "[ . 1 .]" 1
678 1 61 THR H 1 62 LEU QD 3.400 . 5.000 5.066 5.005 5.102 0.102 12 0 "[ . 1 .]" 1
679 1 61 THR H 1 63 VAL H 3.400 . 5.000 4.019 3.884 4.280 . 0 0 "[ . 1 .]" 1
680 1 61 THR H 1 63 VAL MG1 3.900 . 6.000 5.503 5.175 5.849 . 0 0 "[ . 1 .]" 1
681 1 61 THR H 1 63 VAL MG2 3.900 . 6.000 4.126 4.012 4.362 . 0 0 "[ . 1 .]" 1
682 1 61 THR HA 1 62 LEU H 2.700 . 3.600 3.449 3.427 3.501 . 0 0 "[ . 1 .]" 1
683 1 61 THR HA 1 63 VAL H 3.015 . 4.230 4.059 3.925 4.234 0.004 7 0 "[ . 1 .]" 1
684 1 61 THR HA 1 64 HIS H 3.400 . 5.000 3.208 3.096 3.332 . 0 0 "[ . 1 .]" 1
685 1 61 THR HA 1 65 THR H 2.700 . 3.600 3.599 3.314 3.664 0.064 13 0 "[ . 1 .]" 1
686 1 61 THR HB 1 62 LEU H 2.940 . 4.080 3.137 2.878 4.013 . 0 0 "[ . 1 .]" 1
687 1 61 THR MG 1 62 LEU H 3.400 . 5.000 3.436 2.265 3.820 . 0 0 "[ . 1 .]" 1
688 1 61 THR MG 1 64 HIS H 3.400 . 5.000 4.705 4.528 5.037 0.037 6 0 "[ . 1 .]" 1
689 1 62 LEU H 1 62 LEU HB2 2.655 . 3.510 2.890 2.035 3.276 . 0 0 "[ . 1 .]" 1
690 1 62 LEU H 1 62 LEU QB 3.400 . 5.000 2.051 2.010 2.128 . 0 0 "[ . 1 .]" 1
691 1 62 LEU H 1 62 LEU HB3 2.840 . 3.880 2.176 2.037 3.242 . 0 0 "[ . 1 .]" 1
692 1 62 LEU H 1 62 LEU QD 3.400 . 5.000 3.596 3.422 3.676 . 0 0 "[ . 1 .]" 1
693 1 62 LEU H 1 63 VAL H 2.700 . 3.600 2.589 2.471 2.689 . 0 0 "[ . 1 .]" 1
694 1 62 LEU H 1 63 VAL HA 3.650 . 5.500 5.231 5.143 5.302 . 0 0 "[ . 1 .]" 1
695 1 62 LEU H 1 63 VAL MG1 3.400 . 5.000 4.334 4.067 4.518 . 0 0 "[ . 1 .]" 1
696 1 62 LEU H 1 63 VAL MG2 3.400 . 5.000 3.696 3.630 3.770 . 0 0 "[ . 1 .]" 1
697 1 62 LEU H 1 64 HIS H 3.085 . 4.370 4.026 3.690 4.124 . 0 0 "[ . 1 .]" 1
698 1 62 LEU H 1 65 THR H 3.530 . 4.710 4.719 4.661 4.772 0.062 7 0 "[ . 1 .]" 1
699 1 62 LEU HA 1 63 VAL H 3.400 . 5.000 3.508 3.480 3.541 . 0 0 "[ . 1 .]" 1
700 1 62 LEU HA 1 64 HIS H 3.320 . 4.840 4.756 4.347 4.880 0.040 11 0 "[ . 1 .]" 1
701 1 62 LEU HA 1 65 THR H 3.100 . 4.400 4.009 3.904 4.282 . 0 0 "[ . 1 .]" 1
702 1 62 LEU QB 1 63 VAL H 3.400 . 5.000 2.910 2.605 3.269 . 0 0 "[ . 1 .]" 1
703 1 62 LEU HB2 1 63 VAL H 3.400 . 5.000 4.099 3.086 4.287 . 0 0 "[ . 1 .]" 1
704 1 62 LEU HB3 1 63 VAL H 3.400 . 5.000 2.985 2.641 3.390 . 0 0 "[ . 1 .]" 1
705 1 62 LEU QD 1 63 VAL H 3.900 . 6.000 3.453 2.569 3.971 . 0 0 "[ . 1 .]" 1
706 1 62 LEU QD 1 64 HIS H 3.900 . 6.000 5.032 4.278 5.496 . 0 0 "[ . 1 .]" 1
707 1 63 VAL H 1 63 VAL HB 2.820 . 3.840 3.655 3.633 3.674 . 0 0 "[ . 1 .]" 1
708 1 63 VAL H 1 63 VAL MG1 3.400 . 5.000 2.537 2.463 2.600 . 0 0 "[ . 1 .]" 1
709 1 63 VAL H 1 63 VAL MG2 3.400 . 5.000 1.883 1.845 1.955 . 0 0 "[ . 1 .]" 1
710 1 63 VAL H 1 64 HIS H 2.465 . 3.130 2.343 2.265 2.472 . 0 0 "[ . 1 .]" 1
711 1 63 VAL H 1 64 HIS HA 3.605 . 5.410 4.991 4.921 5.098 . 0 0 "[ . 1 .]" 1
712 1 63 VAL H 1 64 HIS QB 3.400 . 5.000 4.035 3.933 4.371 . 0 0 "[ . 1 .]" 1
713 1 63 VAL H 1 65 THR H 3.400 . 5.000 3.855 3.706 4.201 . 0 0 "[ . 1 .]" 1
714 1 63 VAL H 1 65 THR HB 3.650 . 5.500 5.462 5.206 5.541 0.041 12 0 "[ . 1 .]" 1
715 1 63 VAL H 1 66 ALA H 3.325 . 4.850 4.613 4.477 4.838 . 0 0 "[ . 1 .]" 1
716 1 63 VAL H 1 66 ALA MB 3.400 . 5.000 4.643 4.401 4.927 . 0 0 "[ . 1 .]" 1
717 1 63 VAL HA 1 64 HIS H 3.400 . 5.000 3.535 3.457 3.553 . 0 0 "[ . 1 .]" 1
718 1 63 VAL HA 1 65 THR H 3.225 . 4.650 4.198 4.008 4.561 . 0 0 "[ . 1 .]" 1
719 1 63 VAL HA 1 66 ALA H 2.795 . 3.790 3.240 3.039 3.460 . 0 0 "[ . 1 .]" 1
720 1 63 VAL HA 1 67 LYS H 3.400 . 5.000 4.762 4.164 5.039 0.039 4 0 "[ . 1 .]" 1
721 1 63 VAL HB 1 64 HIS H 2.885 . 3.970 3.652 3.533 3.971 0.001 10 0 "[ . 1 .]" 1
722 1 63 VAL MG1 1 64 HIS H 3.400 . 5.000 3.949 3.921 4.025 . 0 0 "[ . 1 .]" 1
723 1 63 VAL MG2 1 64 HIS H 3.900 . 6.000 2.011 1.887 2.407 . 0 0 "[ . 1 .]" 1
724 1 63 VAL MG2 1 65 THR H 3.400 . 5.000 4.223 4.099 4.472 . 0 0 "[ . 1 .]" 1
725 1 63 VAL MG2 1 66 ALA H 3.400 . 5.000 4.750 4.655 4.870 . 0 0 "[ . 1 .]" 1
726 1 64 HIS H 1 64 HIS HA 2.345 . 2.890 2.797 2.746 2.872 . 0 0 "[ . 1 .]" 1
727 1 64 HIS H 1 64 HIS QB 3.400 . 5.000 2.158 2.045 2.315 . 0 0 "[ . 1 .]" 1
728 1 64 HIS H 1 64 HIS HD2 3.345 . 4.890 4.526 3.509 4.942 0.052 7 0 "[ . 1 .]" 1
729 1 64 HIS H 1 65 THR H 2.495 . 3.190 2.675 2.451 2.916 . 0 0 "[ . 1 .]" 1
730 1 64 HIS H 1 82 LEU QB 3.400 . 4.830 4.014 3.638 4.390 . 0 0 "[ . 1 .]" 1
731 1 64 HIS HA 1 65 THR H 2.700 . 3.600 3.506 3.472 3.547 . 0 0 "[ . 1 .]" 1
732 1 64 HIS HA 1 66 ALA H 2.980 . 4.160 4.038 3.844 4.167 0.007 11 0 "[ . 1 .]" 1
733 1 64 HIS HA 1 82 LEU HA 3.400 . 5.000 4.796 4.410 5.024 0.024 7 0 "[ . 1 .]" 1
734 1 64 HIS QB 1 65 THR H 3.400 . 5.000 2.902 2.336 3.495 . 0 0 "[ . 1 .]" 1
735 1 64 HIS QB 1 66 ALA H 3.900 . 6.000 4.665 4.426 4.932 . 0 0 "[ . 1 .]" 1
736 1 64 HIS QB 1 82 LEU QB 3.400 . 5.000 2.223 1.883 2.653 . 0 0 "[ . 1 .]" 1
737 1 64 HIS HB2 1 65 THR H 3.400 . 5.000 4.105 3.779 4.289 . 0 0 "[ . 1 .]" 1
738 1 64 HIS HB3 1 65 THR H 3.400 . 5.000 2.980 2.358 3.752 . 0 0 "[ . 1 .]" 1
739 1 64 HIS HD2 1 65 THR H 2.985 . 4.170 3.437 2.565 4.234 0.064 7 0 "[ . 1 .]" 1
740 1 65 THR H 1 65 THR HB 2.860 . 3.920 2.565 2.500 2.609 . 0 0 "[ . 1 .]" 1
741 1 65 THR H 1 66 ALA H 3.400 . 5.000 2.422 2.273 2.720 . 0 0 "[ . 1 .]" 1
742 1 65 THR H 1 66 ALA HA 3.520 . 5.240 4.945 4.779 5.264 0.024 7 0 "[ . 1 .]" 1
743 1 65 THR H 1 66 ALA MB 3.400 . 5.000 4.114 3.982 4.408 . 0 0 "[ . 1 .]" 1
744 1 65 THR H 1 68 ILE H 3.540 . 5.280 5.273 5.215 5.345 0.065 7 0 "[ . 1 .]" 1
745 1 65 THR H 1 68 ILE HB 3.550 . 5.300 5.325 5.309 5.352 0.052 12 0 "[ . 1 .]" 1
746 1 65 THR H 1 68 ILE QG 3.400 . 5.000 4.575 4.402 5.016 0.016 6 0 "[ . 1 .]" 1
747 1 65 THR HA 1 66 ALA H 2.635 . 3.470 3.426 3.398 3.481 0.011 7 0 "[ . 1 .]" 1
748 1 65 THR HB 1 66 ALA H 2.975 . 4.150 3.454 2.963 4.105 . 0 0 "[ . 1 .]" 1
749 1 66 ALA H 1 67 LYS H 2.595 . 3.390 3.267 3.170 3.395 0.005 14 0 "[ . 1 .]" 1
750 1 66 ALA H 1 68 ILE H 2.910 . 4.020 3.959 3.877 4.032 0.012 10 0 "[ . 1 .]" 1
751 1 66 ALA HA 1 67 LYS H 3.400 . 5.000 3.546 3.523 3.570 . 0 0 "[ . 1 .]" 1
752 1 66 ALA HA 1 67 LYS HA 3.240 . 4.680 4.684 4.641 4.710 0.030 15 0 "[ . 1 .]" 1
753 1 66 ALA MB 1 67 LYS H 3.400 . 3.600 1.855 1.781 1.950 0.019 7 0 "[ . 1 .]" 1
754 1 67 LYS H 1 67 LYS HB2 2.895 . 3.990 3.592 2.824 4.012 0.022 9 0 "[ . 1 .]" 1
755 1 67 LYS H 1 67 LYS QB 3.400 . 5.000 3.084 2.760 3.298 . 0 0 "[ . 1 .]" 1
756 1 67 LYS H 1 67 LYS HB3 2.895 . 3.990 3.540 3.124 3.893 . 0 0 "[ . 1 .]" 1
757 1 67 LYS H 1 68 ILE H 2.385 . 2.970 1.894 1.787 2.121 0.013 13 0 "[ . 1 .]" 1
758 1 67 LYS H 1 68 ILE HA 3.105 . 4.410 4.051 3.991 4.130 . 0 0 "[ . 1 .]" 1
759 1 67 LYS H 1 68 ILE MD 3.400 . 5.000 3.784 3.529 4.281 . 0 0 "[ . 1 .]" 1
760 1 67 LYS H 1 68 ILE QG 3.400 . 5.000 2.844 2.690 2.992 . 0 0 "[ . 1 .]" 1
761 1 67 LYS H 1 69 SER H 3.150 . 4.500 4.208 3.943 4.412 . 0 0 "[ . 1 .]" 1
762 1 67 LYS HA 1 68 ILE H 2.700 . 3.600 3.008 2.849 3.100 . 0 0 "[ . 1 .]" 1
763 1 67 LYS HA 1 69 SER H 2.525 . 3.250 3.266 3.132 3.313 0.063 7 0 "[ . 1 .]" 1
764 1 67 LYS HB2 1 68 ILE H 3.400 . 5.000 4.321 3.867 4.497 . 0 0 "[ . 1 .]" 1
765 1 67 LYS HB3 1 68 ILE H 3.400 . 5.000 4.437 3.943 4.626 . 0 0 "[ . 1 .]" 1
766 1 68 ILE H 1 68 ILE HB 2.425 . 3.050 2.495 2.388 2.558 . 0 0 "[ . 1 .]" 1
767 1 68 ILE H 1 68 ILE MD 3.400 . 5.000 3.292 3.112 3.735 . 0 0 "[ . 1 .]" 1
768 1 68 ILE H 1 68 ILE QG 3.400 . 5.000 2.159 2.054 2.324 . 0 0 "[ . 1 .]" 1
769 1 68 ILE H 1 69 SER H 3.400 . 5.000 2.613 2.445 2.677 . 0 0 "[ . 1 .]" 1
770 1 68 ILE H 1 70 PRO HG3 3.900 . 6.000 5.770 5.099 6.034 0.034 12 0 "[ . 1 .]" 1
771 1 68 ILE HA 1 69 SER H 2.700 . 3.600 3.461 3.417 3.482 . 0 0 "[ . 1 .]" 1
772 1 68 ILE HB 1 69 SER H 2.700 . 3.600 2.991 2.895 3.151 . 0 0 "[ . 1 .]" 1
773 1 69 SER H 1 70 PRO HG3 3.900 . 6.000 4.684 4.092 5.016 . 0 0 "[ . 1 .]" 1
774 1 70 PRO HA 1 79 PRO HA 3.385 . 4.970 4.971 4.831 5.005 0.035 9 0 "[ . 1 .]" 1
775 1 70 PRO QB 1 79 PRO HB2 3.400 . 5.000 3.375 2.376 4.074 . 0 0 "[ . 1 .]" 1
776 1 70 PRO HG3 1 79 PRO HB3 3.230 . 4.660 4.244 3.303 4.677 0.017 10 0 "[ . 1 .]" 1
777 1 71 GLN H 1 71 GLN QB 3.400 . 5.000 2.575 2.249 2.869 . 0 0 "[ . 1 .]" 1
778 1 71 GLN H 1 71 GLN HG2 3.380 . 4.960 2.707 1.935 4.446 . 0 0 "[ . 1 .]" 1
779 1 71 GLN H 1 71 GLN QG 3.400 . 5.000 2.387 1.914 4.017 . 0 0 "[ . 1 .]" 1
780 1 71 GLN H 1 71 GLN HG3 3.380 . 4.960 3.255 2.174 4.711 . 0 0 "[ . 1 .]" 1
781 1 71 GLN H 1 72 GLN H 2.855 . 3.910 2.410 2.069 2.712 . 0 0 "[ . 1 .]" 1
782 1 71 GLN H 1 72 GLN QB 3.900 . 6.000 4.711 4.013 5.187 . 0 0 "[ . 1 .]" 1
783 1 71 GLN H 1 72 GLN QG 3.900 . 6.000 3.903 3.524 4.882 . 0 0 "[ . 1 .]" 1
784 1 71 GLN H 1 73 ARG H 3.240 . 4.680 4.404 3.942 4.697 0.017 9 0 "[ . 1 .]" 1
785 1 71 GLN HA 1 72 GLN H 3.400 . 5.000 3.422 2.967 3.551 . 0 0 "[ . 1 .]" 1
786 1 71 GLN QB 1 72 GLN H 3.400 . 5.000 3.163 2.368 3.979 . 0 0 "[ . 1 .]" 1
787 1 71 GLN HB2 1 72 GLN H 3.400 . 5.000 3.512 2.404 4.415 . 0 0 "[ . 1 .]" 1
788 1 71 GLN HB3 1 72 GLN H 3.400 . 5.000 3.849 2.478 4.523 . 0 0 "[ . 1 .]" 1
789 1 72 GLN H 1 72 GLN QB 3.400 . 5.000 2.913 2.233 3.395 . 0 0 "[ . 1 .]" 1
790 1 72 GLN H 1 72 GLN QG 3.400 . 5.000 2.621 1.915 3.453 . 0 0 "[ . 1 .]" 1
791 1 72 GLN H 1 73 ARG H 2.370 . 2.940 2.737 2.560 2.975 0.035 7 0 "[ . 1 .]" 1
792 1 72 GLN HA 1 73 ARG H 3.400 . 5.000 3.250 2.861 3.555 . 0 0 "[ . 1 .]" 1
793 1 72 GLN HB2 1 73 ARG H 3.400 . 5.000 3.529 2.488 4.155 . 0 0 "[ . 1 .]" 1
794 1 72 GLN HB3 1 73 ARG H 3.400 . 5.000 4.161 3.237 4.457 . 0 0 "[ . 1 .]" 1
795 1 73 ARG H 1 73 ARG QB 3.400 . 5.000 3.017 2.490 3.363 . 0 0 "[ . 1 .]" 1
796 1 73 ARG H 1 74 ARG H 3.245 . 4.690 3.470 1.787 4.648 0.013 7 0 "[ . 1 .]" 1
797 1 73 ARG HA 1 74 ARG H 3.400 . 5.000 2.682 2.127 3.558 . 0 0 "[ . 1 .]" 1
798 1 73 ARG QB 1 74 ARG H 3.400 . 5.000 3.156 1.827 4.027 . 0 0 "[ . 1 .]" 1
799 1 73 ARG HB2 1 74 ARG H 3.400 . 5.000 3.896 1.940 4.486 . 0 0 "[ . 1 .]" 1
800 1 73 ARG HB3 1 74 ARG H 3.400 . 5.000 3.491 1.846 4.591 . 0 0 "[ . 1 .]" 1
801 1 74 ARG H 1 74 ARG QB 3.400 . 5.000 2.893 2.400 3.362 . 0 0 "[ . 1 .]" 1
802 1 74 ARG HA 1 75 GLY H 3.400 . 5.000 2.941 2.141 3.572 . 0 0 "[ . 1 .]" 1
803 1 74 ARG QB 1 75 GLY H 3.400 . 5.000 3.086 1.916 3.959 . 0 0 "[ . 1 .]" 1
804 1 74 ARG HB2 1 75 GLY H 3.400 . 5.000 3.695 2.079 4.637 . 0 0 "[ . 1 .]" 1
805 1 74 ARG HB3 1 75 GLY H 3.400 . 5.000 3.588 1.935 4.479 . 0 0 "[ . 1 .]" 1
806 1 75 GLY QA 1 76 GLU H 3.400 . 5.000 2.361 2.123 2.706 . 0 0 "[ . 1 .]" 1
807 1 75 GLY HA2 1 76 GLU H 2.300 . 2.800 2.671 2.148 3.567 0.767 13 2 "[ . - 1 + .]" 1
808 1 75 GLY HA3 1 76 GLU H 2.700 . 3.600 2.998 2.152 3.570 . 0 0 "[ . 1 .]" 1
809 1 77 PRO HB2 1 78 VAL H 2.220 . 2.640 1.909 1.764 1.991 0.036 5 0 "[ . 1 .]" 1
810 1 77 PRO HB3 1 78 VAL H 2.555 . 3.310 3.361 3.216 3.388 0.078 9 0 "[ . 1 .]" 1
811 1 79 PRO HA 1 80 GLN H 3.400 . 5.000 2.306 2.200 2.458 . 0 0 "[ . 1 .]" 1
812 1 79 PRO HA 1 81 GLU H 2.825 . 3.850 3.396 3.313 3.588 . 0 0 "[ . 1 .]" 1
813 1 79 PRO HA 1 82 LEU H 3.200 . 4.600 4.490 4.183 4.638 0.038 13 0 "[ . 1 .]" 1
814 1 79 PRO HB2 1 82 LEU H 2.965 . 4.130 3.925 3.511 4.191 0.061 5 0 "[ . 1 .]" 1
815 1 80 GLN H 1 80 GLN HB2 2.900 . 4.000 2.574 2.353 3.675 . 0 0 "[ . 1 .]" 1
816 1 80 GLN H 1 80 GLN QB 3.400 . 5.000 2.401 2.324 2.712 . 0 0 "[ . 1 .]" 1
817 1 80 GLN H 1 80 GLN HB3 2.900 . 4.000 3.441 2.646 3.636 . 0 0 "[ . 1 .]" 1
818 1 80 GLN H 1 81 GLU H 2.955 . 4.110 2.132 2.047 2.182 . 0 0 "[ . 1 .]" 1
819 1 80 GLN H 1 82 LEU H 3.400 . 5.000 4.265 4.127 4.582 . 0 0 "[ . 1 .]" 1
820 1 80 GLN HA 1 82 LEU H 3.175 . 4.550 4.042 3.791 4.563 0.013 10 0 "[ . 1 .]" 1
821 1 80 GLN HA 1 84 ASN H 3.110 . 4.420 4.320 4.161 4.461 0.041 9 0 "[ . 1 .]" 1
822 1 80 GLN QB 1 81 GLU H 3.400 . 5.000 2.947 2.777 3.469 . 0 0 "[ . 1 .]" 1
823 1 80 GLN HB2 1 81 GLU H 2.790 . 3.780 3.150 2.896 3.858 0.078 5 0 "[ . 1 .]" 1
824 1 80 GLN HB3 1 81 GLU H 2.790 . 3.780 3.769 2.849 3.933 0.153 5 0 "[ . 1 .]" 1
825 1 81 GLU H 1 81 GLU QB 3.400 . 5.000 2.444 2.383 2.526 . 0 0 "[ . 1 .]" 1
826 1 81 GLU H 1 81 GLU HG2 3.020 . 4.240 3.033 2.050 3.738 . 0 0 "[ . 1 .]" 1
827 1 81 GLU H 1 81 GLU HG3 3.020 . 4.240 2.819 2.065 3.674 . 0 0 "[ . 1 .]" 1
828 1 81 GLU H 1 82 LEU H 2.535 . 3.270 2.914 2.827 3.084 . 0 0 "[ . 1 .]" 1
829 1 81 GLU H 1 82 LEU QD 3.400 . 5.000 3.652 3.234 4.302 . 0 0 "[ . 1 .]" 1
830 1 81 GLU H 1 83 LEU H 3.400 . 5.000 4.649 4.155 5.005 0.005 5 0 "[ . 1 .]" 1
831 1 81 GLU H 1 84 ASN H 3.300 . 4.800 4.793 4.729 4.839 0.039 8 0 "[ . 1 .]" 1
832 1 81 GLU H 1 84 ASN HB2 3.650 . 5.500 5.112 4.640 5.513 0.013 1 0 "[ . 1 .]" 1
833 1 81 GLU H 1 84 ASN HB3 3.650 . 5.500 5.022 4.484 5.315 . 0 0 "[ . 1 .]" 1
834 1 81 GLU HA 1 82 LEU H 3.400 . 5.000 3.540 3.506 3.583 . 0 0 "[ . 1 .]" 1
835 1 81 GLU HA 1 84 ASN H 3.400 . 5.000 3.569 3.327 3.717 . 0 0 "[ . 1 .]" 1
836 1 81 GLU HA 1 85 ARG H 3.400 . 5.000 4.039 3.753 4.261 . 0 0 "[ . 1 .]" 1
837 1 81 GLU QB 1 82 LEU H 3.400 . 5.000 2.648 2.288 3.159 . 0 0 "[ . 1 .]" 1
838 1 81 GLU QB 1 82 LEU QD 3.400 . 5.000 3.069 2.310 4.162 . 0 0 "[ . 1 .]" 1
839 1 81 GLU HB2 1 82 LEU H 2.700 . 3.600 2.732 2.346 3.403 . 0 0 "[ . 1 .]" 1
840 1 81 GLU HB3 1 82 LEU H 2.700 . 3.600 3.597 3.183 3.745 0.145 6 0 "[ . 1 .]" 1
841 1 82 LEU H 1 82 LEU QB . . 2.910 2.816 2.445 2.916 0.006 4 0 "[ . 1 .]" 1
842 1 82 LEU H 1 82 LEU QD 3.400 . 5.000 2.083 1.778 2.760 0.022 10 0 "[ . 1 .]" 1
843 1 82 LEU H 1 82 LEU HG 3.005 . 3.750 1.946 1.752 3.521 0.048 8 0 "[ . 1 .]" 1
844 1 82 LEU H 1 83 LEU H 2.450 . 3.100 2.822 2.724 3.026 . 0 0 "[ . 1 .]" 1
845 1 82 LEU H 1 83 LEU QB 3.400 . 5.000 4.633 4.513 4.821 . 0 0 "[ . 1 .]" 1
846 1 82 LEU H 1 83 LEU QD 3.600 . 5.400 5.103 4.947 5.300 . 0 0 "[ . 1 .]" 1
847 1 82 LEU H 1 84 ASN H 3.400 . 5.000 3.921 3.703 4.265 . 0 0 "[ . 1 .]" 1
848 1 82 LEU H 1 85 ARG H 3.400 . 5.000 4.827 4.755 5.010 0.010 7 0 "[ . 1 .]" 1
849 1 82 LEU HA 1 83 LEU H 3.400 . 5.000 3.561 3.489 3.581 . 0 0 "[ . 1 .]" 1
850 1 82 LEU HA 1 83 LEU HA 3.650 . 5.500 4.761 4.698 4.814 . 0 0 "[ . 1 .]" 1
851 1 82 LEU HA 1 84 ASN H 3.400 . 5.000 4.210 3.993 4.601 . 0 0 "[ . 1 .]" 1
852 1 82 LEU HA 1 85 ARG H 2.925 . 4.050 3.667 3.510 3.842 . 0 0 "[ . 1 .]" 1
853 1 82 LEU HA 1 86 VAL H 3.400 . 5.000 4.268 3.968 4.523 . 0 0 "[ . 1 .]" 1
854 1 82 LEU QB 1 83 LEU H 3.400 . 5.000 2.780 2.380 3.481 . 0 0 "[ . 1 .]" 1
855 1 82 LEU QD 1 83 LEU H 3.400 . 5.000 2.728 1.763 3.330 0.037 13 0 "[ . 1 .]" 1
856 1 83 LEU H 1 83 LEU HB2 2.730 . 3.660 2.318 2.201 2.427 . 0 0 "[ . 1 .]" 1
857 1 83 LEU H 1 83 LEU HB3 2.730 . 3.660 3.552 3.501 3.580 . 0 0 "[ . 1 .]" 1
858 1 83 LEU H 1 83 LEU QD 3.400 . 5.000 3.260 3.135 3.409 . 0 0 "[ . 1 .]" 1
859 1 83 LEU H 1 83 LEU HG 2.550 . 3.300 2.644 2.358 2.965 . 0 0 "[ . 1 .]" 1
860 1 83 LEU H 1 84 ASN H 2.700 . 3.600 2.629 2.425 2.756 . 0 0 "[ . 1 .]" 1
861 1 83 LEU H 1 85 ARG H 3.160 . 4.520 4.445 3.898 4.571 0.051 3 0 "[ . 1 .]" 1
862 1 83 LEU H 1 86 VAL H 3.340 . 4.880 4.767 4.628 4.852 . 0 0 "[ . 1 .]" 1
863 1 83 LEU HA 1 84 ASN HA 3.370 . 4.940 4.768 4.717 4.817 . 0 0 "[ . 1 .]" 1
864 1 83 LEU HA 1 86 VAL H 3.400 . 5.000 3.482 3.301 3.783 . 0 0 "[ . 1 .]" 1
865 1 83 LEU HA 1 87 LEU H 3.400 . 5.000 3.771 3.555 4.072 . 0 0 "[ . 1 .]" 1
866 1 83 LEU QB 1 84 ASN H 3.400 . 5.000 2.813 2.616 2.945 . 0 0 "[ . 1 .]" 1
867 1 83 LEU HB2 1 84 ASN H 3.400 . 5.000 2.931 2.722 3.089 . 0 0 "[ . 1 .]" 1
868 1 83 LEU HB3 1 84 ASN H 2.700 . 3.600 3.642 3.386 3.872 0.272 3 0 "[ . 1 .]" 1
869 1 83 LEU QD 1 84 ASN H 3.400 . 5.000 4.232 4.126 4.307 . 0 0 "[ . 1 .]" 1
870 1 83 LEU HG 1 84 ASN H 3.400 . 5.000 4.695 4.547 4.876 . 0 0 "[ . 1 .]" 1
871 1 84 ASN H 1 84 ASN HB2 2.500 . 3.200 2.560 2.429 2.642 . 0 0 "[ . 1 .]" 1
872 1 84 ASN H 1 84 ASN HB3 2.585 . 3.370 2.518 2.470 2.637 . 0 0 "[ . 1 .]" 1
873 1 84 ASN H 1 85 ARG H 2.700 . 3.600 2.673 2.571 2.781 . 0 0 "[ . 1 .]" 1
874 1 84 ASN H 1 85 ARG QG 3.400 . 5.000 3.896 3.799 4.023 . 0 0 "[ . 1 .]" 1
875 1 84 ASN H 1 86 VAL H 3.400 . 5.000 3.790 3.605 4.116 . 0 0 "[ . 1 .]" 1
876 1 84 ASN H 1 87 LEU H 3.650 . 5.500 4.934 4.784 5.130 . 0 0 "[ . 1 .]" 1
877 1 84 ASN HA 1 85 ARG H 3.400 . 5.000 3.559 3.515 3.571 . 0 0 "[ . 1 .]" 1
878 1 84 ASN HA 1 87 LEU H 3.475 . 5.150 4.019 3.831 4.116 . 0 0 "[ . 1 .]" 1
879 1 84 ASN HA 1 88 ASN H 3.400 . 5.000 4.225 4.094 4.376 . 0 0 "[ . 1 .]" 1
880 1 84 ASN HB2 1 85 ARG H 3.400 . 5.000 3.799 3.712 3.958 . 0 0 "[ . 1 .]" 1
881 1 84 ASN HB3 1 85 ARG H 3.400 . 5.000 2.452 2.372 2.760 . 0 0 "[ . 1 .]" 1
882 1 85 ARG H 1 86 VAL H 2.700 . 3.600 2.523 2.438 2.591 . 0 0 "[ . 1 .]" 1
883 1 85 ARG H 1 86 VAL QG 3.900 . 6.000 3.997 3.681 4.284 . 0 0 "[ . 1 .]" 1
884 1 85 ARG H 1 87 LEU H 3.400 . 5.000 4.637 4.192 4.840 . 0 0 "[ . 1 .]" 1
885 1 85 ARG HA 1 88 ASN H 3.400 . 5.000 3.599 3.466 3.907 . 0 0 "[ . 1 .]" 1
886 1 85 ARG HA 1 89 ALA H 3.010 . 4.220 3.660 3.360 4.034 . 0 0 "[ . 1 .]" 1
887 1 85 ARG HB2 1 86 VAL H 3.400 . 5.000 4.033 3.890 4.103 . 0 0 "[ . 1 .]" 1
888 1 85 ARG HB3 1 86 VAL H 3.400 . 5.000 4.129 3.946 4.197 . 0 0 "[ . 1 .]" 1
889 1 85 ARG QG 1 86 VAL H 3.400 . 5.000 2.520 2.231 2.638 . 0 0 "[ . 1 .]" 1
890 1 85 ARG QG 1 86 VAL HB 3.400 . 5.000 4.025 3.171 4.275 . 0 0 "[ . 1 .]" 1
891 1 85 ARG HG2 1 86 VAL H 2.725 . 3.650 2.936 2.485 3.127 . 0 0 "[ . 1 .]" 1
892 1 85 ARG HG3 1 86 VAL H 2.725 . 3.650 2.752 2.392 2.931 . 0 0 "[ . 1 .]" 1
893 1 85 ARG HG3 1 86 VAL HB 3.310 . 4.820 4.343 3.282 4.630 . 0 0 "[ . 1 .]" 1
894 1 86 VAL H 1 86 VAL HB 2.415 . 3.030 2.379 2.296 2.600 . 0 0 "[ . 1 .]" 1
895 1 86 VAL H 1 86 VAL QG 3.400 . 5.000 2.404 2.051 2.551 . 0 0 "[ . 1 .]" 1
896 1 86 VAL H 1 87 LEU H 2.540 . 3.280 2.721 2.584 2.812 . 0 0 "[ . 1 .]" 1
897 1 86 VAL H 1 87 LEU QD 3.400 . 5.000 4.555 4.138 5.008 0.008 13 0 "[ . 1 .]" 1
898 1 86 VAL H 1 88 ASN H 3.400 . 5.000 3.654 3.539 3.889 . 0 0 "[ . 1 .]" 1
899 1 86 VAL H 1 89 ALA H 3.420 . 5.040 4.561 4.457 4.725 . 0 0 "[ . 1 .]" 1
900 1 86 VAL HA 1 88 ASN H 3.400 . 5.000 4.178 4.063 4.356 . 0 0 "[ . 1 .]" 1
901 1 86 VAL HA 1 89 ALA H 3.400 . 5.000 3.690 3.371 3.925 . 0 0 "[ . 1 .]" 1
902 1 86 VAL HA 1 90 HIS H 3.400 . 5.000 4.047 3.707 4.412 . 0 0 "[ . 1 .]" 1
903 1 86 VAL HB 1 87 LEU QD 2.995 . 4.190 3.453 2.807 4.251 0.061 1 0 "[ . 1 .]" 1
904 1 86 VAL QG 1 87 LEU H 3.400 . 5.000 2.665 1.906 2.998 . 0 0 "[ . 1 .]" 1
905 1 86 VAL QG 1 87 LEU HG 3.400 . 5.000 3.996 3.017 5.003 0.003 13 0 "[ . 1 .]" 1
906 1 86 VAL QG 1 88 ASN H 3.900 . 6.000 4.211 3.872 4.404 . 0 0 "[ . 1 .]" 1
907 1 86 VAL QG 1 89 ALA H 3.900 . 6.000 4.526 4.252 4.739 . 0 0 "[ . 1 .]" 1
908 1 86 VAL QG 1 91 GLY H 3.900 . 6.000 5.466 5.079 5.720 . 0 0 "[ . 1 .]" 1
909 1 86 VAL MG1 1 87 LEU H 3.900 . 6.000 2.723 1.914 3.098 . 0 0 "[ . 1 .]" 1
910 1 86 VAL MG2 1 87 LEU H 3.400 . 5.000 3.832 3.517 3.994 . 0 0 "[ . 1 .]" 1
911 1 87 LEU H 1 87 LEU QB 3.400 . 5.000 2.210 2.036 2.494 . 0 0 "[ . 1 .]" 1
912 1 87 LEU H 1 88 ASN H 2.410 . 3.020 2.606 2.537 2.684 . 0 0 "[ . 1 .]" 1
913 1 87 LEU H 1 89 ALA H 3.400 . 5.000 4.455 4.152 4.619 . 0 0 "[ . 1 .]" 1
914 1 87 LEU H 1 91 GLY H 3.900 . 6.000 5.898 5.622 6.033 0.033 5 0 "[ . 1 .]" 1
915 1 87 LEU HA 1 88 ASN H 3.400 . 5.000 3.470 3.417 3.505 . 0 0 "[ . 1 .]" 1
916 1 87 LEU HA 1 90 HIS H 3.400 . 5.000 3.744 3.392 3.966 . 0 0 "[ . 1 .]" 1
917 1 87 LEU HA 1 91 GLY H 3.400 . 5.000 3.751 3.408 3.991 . 0 0 "[ . 1 .]" 1
918 1 87 LEU QB 1 91 GLY H 3.900 . 5.000 4.667 4.470 5.009 0.009 13 0 "[ . 1 .]" 1
919 1 87 LEU HB2 1 88 ASN H 3.400 . 5.000 3.141 2.852 3.452 . 0 0 "[ . 1 .]" 1
920 1 87 LEU HB3 1 88 ASN H 2.700 . 3.600 3.560 2.960 3.949 0.349 15 0 "[ . 1 .]" 1
921 1 87 LEU QD 1 88 ASN H 3.400 . 5.000 4.129 3.992 4.239 . 0 0 "[ . 1 .]" 1
922 1 87 LEU QD 1 91 GLY H 3.400 . 5.000 4.944 4.144 5.057 0.057 6 0 "[ . 1 .]" 1
923 1 87 LEU HG 1 88 ASN H 3.600 . 5.400 4.956 4.332 5.401 0.001 2 0 "[ . 1 .]" 1
924 1 88 ASN H 1 88 ASN HA 2.345 . 2.890 2.856 2.833 2.872 . 0 0 "[ . 1 .]" 1
925 1 88 ASN H 1 88 ASN HB2 2.535 . 3.270 2.496 2.412 2.578 . 0 0 "[ . 1 .]" 1
926 1 88 ASN H 1 88 ASN QB 3.400 . 5.000 2.265 2.246 2.285 . 0 0 "[ . 1 .]" 1
927 1 88 ASN H 1 88 ASN HB3 2.535 . 3.270 2.601 2.539 2.678 . 0 0 "[ . 1 .]" 1
928 1 88 ASN H 1 89 ALA H 2.420 . 3.040 2.610 2.485 2.721 . 0 0 "[ . 1 .]" 1
929 1 88 ASN H 1 89 ALA MB 3.400 . 5.000 4.243 4.145 4.303 . 0 0 "[ . 1 .]" 1
930 1 88 ASN H 1 90 HIS H 3.400 . 5.000 4.086 3.886 4.411 . 0 0 "[ . 1 .]" 1
931 1 88 ASN H 1 90 HIS QB 3.900 . 6.000 4.831 4.611 5.216 . 0 0 "[ . 1 .]" 1
932 1 88 ASN H 1 91 GLY H 3.400 . 5.000 4.716 4.557 4.811 . 0 0 "[ . 1 .]" 1
933 1 88 ASN HA 1 89 ALA H 3.400 . 5.000 3.549 3.518 3.567 . 0 0 "[ . 1 .]" 1
934 1 88 ASN HA 1 92 TYR H 3.400 . 5.000 4.123 3.940 4.273 . 0 0 "[ . 1 .]" 1
935 1 88 ASN QB 1 89 ALA H 3.400 . 5.000 2.298 2.178 2.501 . 0 0 "[ . 1 .]" 1
936 1 88 ASN HB2 1 89 ALA H 2.700 . 3.600 3.648 3.618 3.682 0.082 7 0 "[ . 1 .]" 1
937 1 88 ASN HB3 1 89 ALA H 2.700 . 3.600 2.323 2.195 2.544 . 0 0 "[ . 1 .]" 1
938 1 89 ALA H 1 89 ALA MB 3.400 . 5.000 2.234 2.231 2.238 . 0 0 "[ . 1 .]" 1
939 1 89 ALA H 1 90 HIS H 2.700 . 3.600 2.809 2.722 2.914 . 0 0 "[ . 1 .]" 1
940 1 89 ALA H 1 90 HIS QB 3.900 . 6.000 4.531 4.463 4.613 . 0 0 "[ . 1 .]" 1
941 1 89 ALA H 1 92 TYR HB3 3.400 . 5.000 4.757 4.614 4.883 . 0 0 "[ . 1 .]" 1
942 1 89 ALA HA 1 90 HIS H 3.400 . 5.000 3.558 3.537 3.579 . 0 0 "[ . 1 .]" 1
943 1 89 ALA HA 1 92 TYR H 3.400 . 5.000 3.550 3.503 3.708 . 0 0 "[ . 1 .]" 1
944 1 89 ALA HA 1 93 TRP H 3.900 . 6.000 4.354 4.252 4.531 . 0 0 "[ . 1 .]" 1
945 1 89 ALA MB 1 90 HIS H 3.400 . 5.000 2.409 2.213 2.543 . 0 0 "[ . 1 .]" 1
946 1 90 HIS H 1 91 GLY H 3.400 . 5.000 2.819 2.778 2.901 . 0 0 "[ . 1 .]" 1
947 1 90 HIS H 1 92 TYR H 3.400 . 5.000 3.903 3.762 4.041 . 0 0 "[ . 1 .]" 1
948 1 90 HIS HA 1 91 GLY H 2.700 . 3.600 3.564 3.557 3.570 . 0 0 "[ . 1 .]" 1
949 1 90 HIS HA 1 92 TYR H 3.400 . 5.000 4.126 4.021 4.211 . 0 0 "[ . 1 .]" 1
950 1 90 HIS HA 1 93 TRP H 3.400 . 5.000 3.502 3.375 3.669 . 0 0 "[ . 1 .]" 1
951 1 90 HIS HA 1 93 TRP HZ2 3.235 . 4.670 4.680 4.554 4.711 0.041 13 0 "[ . 1 .]" 1
952 1 90 HIS QB 1 91 GLY H 3.400 . 5.000 2.264 2.211 2.338 . 0 0 "[ . 1 .]" 1
953 1 90 HIS QB 1 92 TYR H 3.400 . 5.000 4.425 4.302 4.519 . 0 0 "[ . 1 .]" 1
954 1 90 HIS HB2 1 91 GLY H 3.400 . 5.000 3.712 3.648 3.789 . 0 0 "[ . 1 .]" 1
955 1 90 HIS HB2 1 92 TYR H 3.900 . 6.000 5.514 5.363 5.610 . 0 0 "[ . 1 .]" 1
956 1 90 HIS HB3 1 91 GLY H 2.700 . 3.600 2.284 2.230 2.362 . 0 0 "[ . 1 .]" 1
957 1 90 HIS HB3 1 92 TYR H 3.650 . 5.500 4.660 4.530 4.765 . 0 0 "[ . 1 .]" 1
958 1 90 HIS HD2 1 91 GLY H 3.390 . 4.980 3.762 3.334 4.999 0.019 9 0 "[ . 1 .]" 1
959 1 91 GLY H 1 92 TYR H 2.700 . 3.600 2.717 2.649 2.781 . 0 0 "[ . 1 .]" 1
960 1 91 GLY H 1 92 TYR HB3 3.305 . 4.810 4.696 4.656 4.754 . 0 0 "[ . 1 .]" 1
961 1 91 GLY H 1 93 TRP H 3.400 . 5.000 4.450 4.311 4.631 . 0 0 "[ . 1 .]" 1
962 1 91 GLY HA2 1 92 TYR H 3.400 . 5.000 3.491 3.457 3.512 . 0 0 "[ . 1 .]" 1
963 1 91 GLY HA2 1 93 TRP H 3.400 . 5.000 4.501 4.351 4.633 . 0 0 "[ . 1 .]" 1
964 1 91 GLY HA3 1 92 TYR H 3.400 . 5.000 2.923 2.869 2.999 . 0 0 "[ . 1 .]" 1
965 1 92 TYR H 1 93 TRP H 2.700 . 3.600 2.689 2.589 2.769 . 0 0 "[ . 1 .]" 1
966 1 92 TYR H 1 94 THR H 3.650 . 5.500 4.421 4.270 4.524 . 0 0 "[ . 1 .]" 1
967 1 92 TYR H 1 95 GLN QB 3.400 . 5.000 4.590 4.543 4.650 . 0 0 "[ . 1 .]" 1
968 1 92 TYR HA 1 92 TYR QD 3.095 . 4.390 2.984 2.864 3.100 . 0 0 "[ . 1 .]" 1
969 1 92 TYR HA 1 93 TRP H 2.700 . 3.600 3.563 3.534 3.582 . 0 0 "[ . 1 .]" 1
970 1 92 TYR HA 1 95 GLN H 3.400 . 5.000 3.611 3.484 3.721 . 0 0 "[ . 1 .]" 1
971 1 92 TYR HA 1 96 GLN H 3.400 . 5.000 3.576 2.710 4.201 . 0 0 "[ . 1 .]" 1
972 1 92 TYR HA 1 96 GLN HA 3.400 . 5.000 5.124 5.060 5.169 0.169 2 0 "[ . 1 .]" 1
973 1 92 TYR HB2 1 93 TRP H 3.900 . 6.000 4.019 3.937 4.114 . 0 0 "[ . 1 .]" 1
974 1 92 TYR HB3 1 93 TRP H 2.700 . 3.600 2.686 2.553 2.841 . 0 0 "[ . 1 .]" 1
975 1 92 TYR QD 1 93 TRP H 2.700 . 3.600 2.855 2.773 2.889 . 0 0 "[ . 1 .]" 1
976 1 92 TYR QD 1 93 TRP HD1 2.995 . 4.190 1.955 1.887 2.074 . 0 0 "[ . 1 .]" 1
977 1 92 TYR QD 1 93 TRP HE1 2.860 . 3.920 3.156 3.043 3.280 . 0 0 "[ . 1 .]" 1
978 1 92 TYR QD 1 94 THR H 3.650 . 5.500 5.363 5.325 5.383 . 0 0 "[ . 1 .]" 1
979 1 92 TYR QE 1 93 TRP H 3.400 . 5.000 4.892 4.786 4.926 . 0 0 "[ . 1 .]" 1
980 1 92 TYR QE 1 93 TRP HE1 2.820 . 3.840 3.848 3.834 3.860 0.020 2 0 "[ . 1 .]" 1
981 1 93 TRP H 1 93 TRP HB2 2.570 . 3.340 2.666 2.578 2.764 . 0 0 "[ . 1 .]" 1
982 1 93 TRP H 1 93 TRP HD1 2.830 . 3.860 3.125 3.027 3.216 . 0 0 "[ . 1 .]" 1
983 1 93 TRP H 1 94 THR H 2.700 . 3.600 2.871 2.819 2.971 . 0 0 "[ . 1 .]" 1
984 1 93 TRP H 1 95 GLN H 3.400 . 5.000 4.146 3.982 4.268 . 0 0 "[ . 1 .]" 1
985 1 93 TRP H 1 95 GLN QB 3.400 . 5.000 5.028 5.006 5.047 0.047 5 0 "[ . 1 .]" 1
986 1 93 TRP H 1 96 GLN H 3.245 . 4.690 4.590 4.434 4.728 0.038 11 0 "[ . 1 .]" 1
987 1 93 TRP HA 1 94 THR H 3.400 . 5.000 3.558 3.553 3.562 . 0 0 "[ . 1 .]" 1
988 1 93 TRP HA 1 94 THR HA 3.400 . 5.000 4.774 4.718 4.821 . 0 0 "[ . 1 .]" 1
989 1 93 TRP HA 1 95 GLN H 3.345 . 4.890 4.634 4.300 4.917 0.027 12 0 "[ . 1 .]" 1
990 1 93 TRP HA 1 96 GLN H 3.400 . 5.000 3.853 3.205 4.614 . 0 0 "[ . 1 .]" 1
991 1 93 TRP HA 1 97 GLN H 3.400 . 5.000 4.334 3.912 4.643 . 0 0 "[ . 1 .]" 1
992 1 93 TRP HB2 1 94 THR H 2.835 . 3.870 2.187 2.101 2.276 . 0 0 "[ . 1 .]" 1
993 1 93 TRP HB2 1 95 GLN H 3.400 . 5.000 4.775 4.630 4.909 . 0 0 "[ . 1 .]" 1
994 1 93 TRP HD1 1 94 THR H 3.650 . 5.500 5.146 5.097 5.205 . 0 0 "[ . 1 .]" 1
995 1 94 THR H 1 94 THR HG1 2.445 . 3.090 2.242 1.966 3.093 0.003 1 0 "[ . 1 .]" 1
996 1 94 THR H 1 95 GLN H 2.475 . 3.150 2.759 2.701 2.846 . 0 0 "[ . 1 .]" 1
997 1 94 THR H 1 95 GLN QB 3.900 . 6.000 4.723 4.630 4.790 . 0 0 "[ . 1 .]" 1
998 1 94 THR H 1 95 GLN QG 3.400 . 5.000 4.669 4.556 4.774 . 0 0 "[ . 1 .]" 1
999 1 94 THR H 1 96 GLN H 3.400 . 5.000 4.143 3.746 4.790 . 0 0 "[ . 1 .]" 1
1000 1 94 THR HA 1 95 GLN H 3.400 . 5.000 3.544 3.509 3.564 . 0 0 "[ . 1 .]" 1
1001 1 94 THR HA 1 97 GLN H 3.400 . 5.000 3.796 3.511 4.136 . 0 0 "[ . 1 .]" 1
1002 1 94 THR HA 1 98 MET H 3.400 . 5.000 5.019 4.951 5.050 0.050 9 0 "[ . 1 .]" 1
1003 1 94 THR HG1 1 95 GLN H 2.560 . 3.320 2.223 1.799 2.949 0.001 1 0 "[ . 1 .]" 1
1004 1 94 THR HG1 1 96 GLN H 3.415 . 5.030 4.623 4.197 5.027 . 0 0 "[ . 1 .]" 1
1005 1 95 GLN H 1 95 GLN QB 3.400 . 5.000 2.341 2.320 2.364 . 0 0 "[ . 1 .]" 1
1006 1 95 GLN H 1 95 GLN QG 3.400 . 5.000 2.531 2.400 2.677 . 0 0 "[ . 1 .]" 1
1007 1 95 GLN H 1 96 GLN H 2.700 . 3.600 2.601 2.327 2.917 . 0 0 "[ . 1 .]" 1
1008 1 95 GLN H 1 97 GLN H 3.400 . 5.000 3.969 3.468 4.273 . 0 0 "[ . 1 .]" 1
1009 1 95 GLN HA 1 96 GLN H 3.400 . 5.000 3.437 3.311 3.580 . 0 0 "[ . 1 .]" 1
1010 1 95 GLN HA 1 96 GLN HA 3.220 . 4.640 4.687 4.644 4.711 0.071 12 0 "[ . 1 .]" 1
1011 1 95 GLN HB2 1 96 GLN H 3.400 . 5.000 2.920 2.232 3.441 . 0 0 "[ . 1 .]" 1
1012 1 95 GLN HB3 1 96 GLN H 3.400 . 5.000 3.677 3.054 4.137 . 0 0 "[ . 1 .]" 1
1013 1 96 GLN H 1 96 GLN HB2 2.405 . 3.010 2.603 2.401 2.794 . 0 0 "[ . 1 .]" 1
1014 1 96 GLN H 1 96 GLN QB 3.400 . 5.000 2.276 2.242 2.305 . 0 0 "[ . 1 .]" 1
1015 1 96 GLN H 1 96 GLN HB3 2.405 . 3.010 2.544 2.442 2.697 . 0 0 "[ . 1 .]" 1
1016 1 96 GLN H 1 97 GLN H 3.400 . 5.000 2.454 2.242 2.684 . 0 0 "[ . 1 .]" 1
1017 1 96 GLN H 1 98 MET H 3.400 . 5.000 4.396 3.898 5.008 0.008 7 0 "[ . 1 .]" 1
1018 1 96 GLN HA 1 97 GLN H 2.700 . 3.600 3.447 3.387 3.489 . 0 0 "[ . 1 .]" 1
1019 1 96 GLN HA 1 99 GLN H 3.400 . 5.000 4.607 4.127 5.011 0.011 5 0 "[ . 1 .]" 1
1020 1 96 GLN QB 1 97 GLN H 3.900 . 5.000 2.910 2.710 3.125 . 0 0 "[ . 1 .]" 1
1021 1 97 GLN H 1 97 GLN QB 3.400 . 5.000 3.246 2.899 3.400 . 0 0 "[ . 1 .]" 1
1022 1 97 GLN H 1 97 GLN QG 3.400 . 5.000 3.188 2.681 4.477 . 0 0 "[ . 1 .]" 1
1023 1 97 GLN H 1 98 MET H 3.400 . 5.000 2.709 2.533 3.069 . 0 0 "[ . 1 .]" 1
1024 1 97 GLN H 1 99 GLN H 3.400 . 5.000 4.324 3.872 4.965 . 0 0 "[ . 1 .]" 1
1025 1 97 GLN HA 1 98 MET H 2.700 . 3.600 2.775 2.425 3.092 . 0 0 "[ . 1 .]" 1
1026 1 97 GLN QB 1 101 LEU H 3.400 . 5.000 4.755 3.566 5.066 0.066 9 0 "[ . 1 .]" 1
1027 1 97 GLN HB2 1 98 MET H 3.400 . 5.000 4.305 3.850 4.641 . 0 0 "[ . 1 .]" 1
1028 1 97 GLN HB3 1 98 MET H 3.400 . 5.000 4.338 4.015 4.462 . 0 0 "[ . 1 .]" 1
1029 1 98 MET H 1 98 MET HA 2.355 . 2.910 2.275 2.268 2.295 . 0 0 "[ . 1 .]" 1
1030 1 98 MET H 1 98 MET QB 3.400 . 5.000 3.107 2.848 3.368 . 0 0 "[ . 1 .]" 1
1031 1 98 MET H 1 99 GLN H 3.400 . 5.000 2.841 2.665 3.117 . 0 0 "[ . 1 .]" 1
1032 1 98 MET H 1 100 GLN H 3.400 . 5.000 4.584 3.680 5.060 0.060 10 0 "[ . 1 .]" 1
1033 1 98 MET HA 1 99 GLN H 3.400 . 5.000 2.881 2.366 3.438 . 0 0 "[ . 1 .]" 1
1034 1 98 MET QB 1 99 GLN H 3.400 . 5.000 3.741 3.028 4.047 . 0 0 "[ . 1 .]" 1
1035 1 98 MET HB2 1 99 GLN H 3.400 . 5.000 4.302 3.631 4.646 . 0 0 "[ . 1 .]" 1
1036 1 98 MET HB3 1 99 GLN H 3.400 . 5.000 4.191 3.114 4.629 . 0 0 "[ . 1 .]" 1
1037 1 99 GLN H 1 100 GLN H 3.400 . 5.000 2.942 2.242 3.667 . 0 0 "[ . 1 .]" 1
1038 1 99 GLN HA 1 100 GLN H 2.700 . 3.600 2.986 2.289 3.569 . 0 0 "[ . 1 .]" 1
1039 1 99 GLN HB2 1 100 GLN H 3.400 . 5.000 4.063 3.286 4.639 . 0 0 "[ . 1 .]" 1
1040 1 99 GLN HB3 1 100 GLN H 3.400 . 5.000 3.903 2.183 4.470 . 0 0 "[ . 1 .]" 1
1041 1 100 GLN H 1 101 LEU H 3.400 . 5.000 3.375 1.827 4.667 . 0 0 "[ . 1 .]" 1
1042 1 100 GLN HA 1 101 LEU H 2.700 . 3.600 2.857 2.173 3.533 . 0 0 "[ . 1 .]" 1
1043 1 100 GLN HA 1 102 GLN H 3.335 . 4.870 4.265 3.300 4.967 0.097 7 0 "[ . 1 .]" 1
1044 1 100 GLN QB 1 101 LEU H 3.900 . 6.000 2.923 1.770 4.015 0.030 5 0 "[ . 1 .]" 1
1045 1 101 LEU H 1 101 LEU QB 3.400 . 5.000 2.692 2.095 3.315 . 0 0 "[ . 1 .]" 1
1046 1 101 LEU H 1 101 LEU QD 3.400 . 5.000 3.030 1.973 3.862 . 0 0 "[ . 1 .]" 1
1047 1 101 LEU H 1 102 GLN H 3.400 . 5.000 2.512 1.772 2.823 0.028 7 0 "[ . 1 .]" 1
1048 1 101 LEU HA 1 102 GLN H 3.400 . 5.000 3.272 2.748 3.556 . 0 0 "[ . 1 .]" 1
1049 1 101 LEU QB 1 102 GLN H 3.400 . 5.000 3.204 2.423 3.869 . 0 0 "[ . 1 .]" 1
1050 1 101 LEU HB2 1 102 GLN H 3.410 . 5.020 3.735 2.481 4.262 . 0 0 "[ . 1 .]" 1
1051 1 101 LEU HB3 1 102 GLN H 3.410 . 5.020 3.735 2.555 4.440 . 0 0 "[ . 1 .]" 1
1052 1 101 LEU QD 1 102 GLN H 3.400 . 5.000 3.961 2.591 4.393 . 0 0 "[ . 1 .]" 1
1053 1 102 GLN H 1 102 GLN HB2 2.500 . 3.200 2.846 2.470 3.206 0.006 5 0 "[ . 1 .]" 1
1054 1 102 GLN H 1 102 GLN QB 3.400 . 5.000 2.432 2.245 2.845 . 0 0 "[ . 1 .]" 1
1055 1 102 GLN H 1 102 GLN HB3 2.500 . 3.200 2.657 2.480 3.181 . 0 0 "[ . 1 .]" 1
1056 1 102 GLN H 1 102 GLN HG2 3.650 . 5.500 4.559 4.409 4.809 . 0 0 "[ . 1 .]" 1
1057 1 102 GLN H 1 102 GLN QG 3.400 . 5.000 4.074 3.969 4.405 . 0 0 "[ . 1 .]" 1
1058 1 102 GLN H 1 102 GLN HG3 3.650 . 5.500 4.607 4.407 5.197 . 0 0 "[ . 1 .]" 1
1059 1 102 GLN H 1 103 GLN H 3.195 . 4.590 4.014 2.400 4.608 0.018 7 0 "[ . 1 .]" 1
1060 1 102 GLN HA 1 103 GLN H 3.400 . 5.000 2.492 2.139 3.570 . 0 0 "[ . 1 .]" 1
1061 1 102 GLN HB2 1 103 GLN H 3.400 . 5.000 4.098 3.468 4.651 . 0 0 "[ . 1 .]" 1
1062 1 102 GLN HB3 1 103 GLN H 3.400 . 5.000 3.693 1.897 4.389 . 0 0 "[ . 1 .]" 1
1063 1 103 GLN HA 1 105 VAL H 3.080 . 4.360 4.392 4.374 4.452 0.092 8 0 "[ . 1 .]" 1
1064 1 104 ASN H 1 105 VAL H 3.100 . 4.400 3.862 3.650 3.977 . 0 0 "[ . 1 .]" 1
1065 1 104 ASN QB 1 105 VAL H 3.400 . 5.000 3.913 3.831 4.046 . 0 0 "[ . 1 .]" 1
1066 1 105 VAL H 1 105 VAL QG 3.400 . 5.000 2.155 1.779 2.655 0.021 15 0 "[ . 1 .]" 1
stop_
save_