NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
490835 |
2rqs   |
11080 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rqs
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 1486
_Distance_constraint_stats_list.Viol_count 2946
_Distance_constraint_stats_list.Viol_total 2190.338
_Distance_constraint_stats_list.Viol_max 0.368
_Distance_constraint_stats_list.Viol_rms 0.0161
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0372
_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 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ALA 0.336 0.027 20 0 "[ . 1 . 2]"
1 8 ASP 0.080 0.038 7 0 "[ . 1 . 2]"
1 9 LYS 10.317 0.246 6 0 "[ . 1 . 2]"
1 10 ILE 6.170 0.150 12 0 "[ . 1 . 2]"
1 11 LYS 8.024 0.246 6 0 "[ . 1 . 2]"
1 12 CYS 5.846 0.150 12 0 "[ . 1 . 2]"
1 13 SER 1.462 0.071 9 0 "[ . 1 . 2]"
1 14 HIS 1.094 0.089 1 0 "[ . 1 . 2]"
1 15 ILE 2.507 0.089 1 0 "[ . 1 . 2]"
1 16 LEU 3.233 0.130 11 0 "[ . 1 . 2]"
1 17 VAL 4.137 0.199 12 0 "[ . 1 . 2]"
1 18 LYS 1.322 0.127 7 0 "[ . 1 . 2]"
1 19 LYS 3.053 0.155 8 0 "[ . 1 . 2]"
1 20 GLN 1.990 0.158 16 0 "[ . 1 . 2]"
1 21 GLY 1.778 0.149 8 0 "[ . 1 . 2]"
1 22 GLU 8.096 0.199 12 0 "[ . 1 . 2]"
1 23 ALA 5.123 0.166 20 0 "[ . 1 . 2]"
1 24 LEU 1.388 0.197 20 0 "[ . 1 . 2]"
1 25 ALA 0.927 0.046 16 0 "[ . 1 . 2]"
1 26 VAL 2.487 0.058 12 0 "[ . 1 . 2]"
1 27 GLN 1.866 0.197 20 0 "[ . 1 . 2]"
1 28 GLU 1.000 0.160 11 0 "[ . 1 . 2]"
1 29 ARG 0.872 0.049 10 0 "[ . 1 . 2]"
1 30 LEU 2.351 0.071 4 0 "[ . 1 . 2]"
1 31 LYS 1.322 0.260 4 0 "[ . 1 . 2]"
1 32 ALA 1.924 0.061 17 0 "[ . 1 . 2]"
1 33 GLY 2.035 0.116 19 0 "[ . 1 . 2]"
1 34 GLU 1.425 0.061 17 0 "[ . 1 . 2]"
1 35 LYS 1.114 0.051 14 0 "[ . 1 . 2]"
1 36 PHE 0.518 0.051 14 0 "[ . 1 . 2]"
1 37 GLY 0.278 0.037 1 0 "[ . 1 . 2]"
1 38 LYS 0.220 0.032 12 0 "[ . 1 . 2]"
1 39 LEU 5.608 0.084 8 0 "[ . 1 . 2]"
1 40 ALA 0.771 0.040 11 0 "[ . 1 . 2]"
1 41 LYS 0.401 0.031 3 0 "[ . 1 . 2]"
1 42 GLU 1.888 0.081 10 0 "[ . 1 . 2]"
1 43 LEU 1.038 0.062 12 0 "[ . 1 . 2]"
1 44 SER 4.132 0.103 8 0 "[ . 1 . 2]"
1 45 ILE 3.459 0.130 11 0 "[ . 1 . 2]"
1 46 ASP 0.751 0.048 18 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ALA 2.706 0.172 11 0 "[ . 1 . 2]"
1 51 LYS 4.299 0.368 11 0 "[ . 1 . 2]"
1 52 ARG 1.961 0.368 11 0 "[ . 1 . 2]"
1 53 ASP 0.257 0.027 16 0 "[ . 1 . 2]"
1 54 GLY 0.261 0.032 6 0 "[ . 1 . 2]"
1 55 SER 1.145 0.064 19 0 "[ . 1 . 2]"
1 56 LEU 2.943 0.083 7 0 "[ . 1 . 2]"
1 57 GLY 1.617 0.111 9 0 "[ . 1 . 2]"
1 58 TYR 3.285 0.111 9 0 "[ . 1 . 2]"
1 59 PHE 2.757 0.138 4 0 "[ . 1 . 2]"
1 60 GLY 4.862 0.138 4 0 "[ . 1 . 2]"
1 61 ARG 2.705 0.181 7 0 "[ . 1 . 2]"
1 62 GLY 2.705 0.181 7 0 "[ . 1 . 2]"
1 63 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 MET 0.509 0.059 18 0 "[ . 1 . 2]"
1 65 VAL 1.989 0.084 1 0 "[ . 1 . 2]"
1 66 LYS 0.479 0.040 13 0 "[ . 1 . 2]"
1 67 PRO 4.788 0.116 14 0 "[ . 1 . 2]"
1 68 PHE 2.251 0.104 5 0 "[ . 1 . 2]"
1 69 GLU 1.207 0.040 13 0 "[ . 1 . 2]"
1 70 ASP 0.541 0.041 19 0 "[ . 1 . 2]"
1 71 ALA 0.197 0.025 12 0 "[ . 1 . 2]"
1 72 ALA 0.560 0.032 11 0 "[ . 1 . 2]"
1 73 PHE 0.291 0.032 11 0 "[ . 1 . 2]"
1 74 ARG 1.034 0.060 19 0 "[ . 1 . 2]"
1 75 LEU 5.680 0.187 18 0 "[ . 1 . 2]"
1 76 GLN 1.755 0.076 3 0 "[ . 1 . 2]"
1 77 VAL 1.822 0.061 12 0 "[ . 1 . 2]"
1 78 GLY 4.359 0.187 18 0 "[ . 1 . 2]"
1 79 GLU 7.543 0.138 5 0 "[ . 1 . 2]"
1 80 VAL 3.665 0.115 16 0 "[ . 1 . 2]"
1 81 SER 1.760 0.114 18 0 "[ . 1 . 2]"
1 82 GLU 1.020 0.154 10 0 "[ . 1 . 2]"
1 83 PRO 0.873 0.154 10 0 "[ . 1 . 2]"
1 84 VAL 5.008 0.116 14 0 "[ . 1 . 2]"
1 85 LYS 0.038 0.017 3 0 "[ . 1 . 2]"
1 86 SER 0.775 0.046 1 0 "[ . 1 . 2]"
1 87 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 PHE 0.405 0.033 1 0 "[ . 1 . 2]"
1 89 GLY 1.893 0.148 7 0 "[ . 1 . 2]"
1 90 TYR 5.718 0.148 7 0 "[ . 1 . 2]"
1 91 HIS 1.499 0.046 1 0 "[ . 1 . 2]"
1 92 VAL 0.254 0.032 19 0 "[ . 1 . 2]"
1 93 ILE 1.449 0.066 18 0 "[ . 1 . 2]"
1 94 LYS 0.557 0.046 11 0 "[ . 1 . 2]"
1 95 ARG 2.516 0.110 5 0 "[ . 1 . 2]"
1 96 LEU 6.614 0.159 7 0 "[ . 1 . 2]"
1 97 GLY 5.135 0.104 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 LYS HA 1 12 CYS H 2.500 . 2.800 2.212 2.143 2.365 . 0 0 "[ . 1 . 2]" 1
2 1 12 CYS HA 1 13 SER H 2.500 . 2.800 2.588 2.565 2.616 . 0 0 "[ . 1 . 2]" 1
3 1 12 CYS HB3 1 13 SER H 3.500 . 3.800 2.701 2.097 3.807 0.007 17 0 "[ . 1 . 2]" 1
4 1 15 ILE HA 1 15 ILE MG 2.500 . 2.800 2.541 2.412 2.699 . 0 0 "[ . 1 . 2]" 1
5 1 15 ILE HG13 1 15 ILE MG 2.500 . 2.800 2.677 2.509 2.753 . 0 0 "[ . 1 . 2]" 1
6 1 15 ILE MG 1 17 VAL MG1 2.500 . 2.800 2.373 2.183 2.674 . 0 0 "[ . 1 . 2]" 1
7 1 15 ILE H 1 92 VAL H 2.500 . 2.800 2.564 2.374 2.803 0.003 2 0 "[ . 1 . 2]" 1
8 1 16 LEU HA 1 17 VAL H 2.500 . 2.800 2.162 2.134 2.207 . 0 0 "[ . 1 . 2]" 1
9 1 19 LYS H 1 19 LYS HB3 2.500 . 2.800 2.633 2.119 2.955 0.155 8 0 "[ . 1 . 2]" 1
10 1 1 GLY QA 1 2 PRO QD 2.500 . 2.800 2.046 1.900 2.337 . 0 0 "[ . 1 . 2]" 1
11 1 23 ALA MB 1 90 TYR HB3 2.500 . 2.800 2.417 2.304 2.625 . 0 0 "[ . 1 . 2]" 1
12 1 28 GLU HB3 1 28 GLU HG2 2.500 . 2.800 2.398 2.204 2.960 0.160 11 0 "[ . 1 . 2]" 1
13 1 29 ARG H 1 29 ARG HB3 2.500 . 2.800 2.599 2.075 2.800 . 0 0 "[ . 1 . 2]" 1
14 1 30 LEU MD2 1 39 LEU HG 2.500 . 2.800 2.337 2.232 2.436 . 0 0 "[ . 1 . 2]" 1
15 1 31 LYS H 1 31 LYS HB3 2.500 . 2.800 2.635 2.518 3.060 0.260 4 0 "[ . 1 . 2]" 1
16 1 31 LYS H 1 32 ALA H 2.500 . 2.800 2.590 2.575 2.647 . 0 0 "[ . 1 . 2]" 1
17 1 33 GLY H 1 33 GLY HA3 2.500 . 2.800 2.891 2.856 2.916 0.116 19 0 "[ . 1 . 2]" 1
18 1 33 GLY H 1 34 GLU H 2.500 . 2.800 2.050 1.867 2.823 0.023 15 0 "[ . 1 . 2]" 1
19 1 37 GLY H 1 37 GLY HA2 2.500 . 2.800 2.802 2.773 2.824 0.024 10 0 "[ . 1 . 2]" 1
20 1 42 GLU HB3 1 43 LEU H 2.500 . 2.800 2.327 2.271 2.402 . 0 0 "[ . 1 . 2]" 1
21 1 43 LEU H 1 43 LEU MD1 2.500 . 2.800 2.058 1.960 2.249 . 0 0 "[ . 1 . 2]" 1
22 1 44 SER HA 1 45 ILE H 2.500 . 2.800 2.162 2.129 2.215 . 0 0 "[ . 1 . 2]" 1
23 1 45 ILE MD 1 45 ILE MG 2.500 . 2.800 2.499 2.097 2.820 0.020 8 0 "[ . 1 . 2]" 1
24 1 46 ASP H 1 46 ASP HB3 2.500 . 2.800 2.543 2.393 2.812 0.012 8 0 "[ . 1 . 2]" 1
25 1 55 SER HA 1 56 LEU H 2.500 . 2.800 2.267 2.217 2.296 . 0 0 "[ . 1 . 2]" 1
26 1 60 GLY HA2 1 61 ARG H 2.500 . 2.800 2.650 2.637 2.665 . 0 0 "[ . 1 . 2]" 1
27 1 61 ARG H 1 61 ARG QG 2.500 . 2.800 2.115 1.858 2.712 . 0 0 "[ . 1 . 2]" 1
28 1 62 GLY H 1 62 GLY QA 2.500 . 2.800 2.443 2.439 2.445 . 0 0 "[ . 1 . 2]" 1
29 1 65 VAL MG2 1 68 PHE H 2.500 . 2.800 1.787 1.765 1.799 0.035 1 0 "[ . 1 . 2]" 1
30 1 67 PRO HB3 1 84 VAL MG1 2.500 . 2.800 2.894 2.876 2.916 0.116 14 0 "[ . 1 . 2]" 1
31 1 69 GLU HB3 1 70 ASP H 2.500 . 2.800 2.807 2.726 2.818 0.018 1 0 "[ . 1 . 2]" 1
32 1 69 GLU H 1 69 GLU HB3 2.500 . 2.800 2.790 2.692 2.835 0.035 1 0 "[ . 1 . 2]" 1
33 1 70 ASP H 1 70 ASP QB 2.500 . 2.800 2.176 2.052 2.260 . 0 0 "[ . 1 . 2]" 1
34 1 70 ASP H 1 71 ALA H 2.500 . 2.800 2.718 2.651 2.759 . 0 0 "[ . 1 . 2]" 1
35 1 71 ALA MB 1 84 VAL MG2 2.500 . 2.800 2.609 2.492 2.709 . 0 0 "[ . 1 . 2]" 1
36 1 71 ALA H 1 71 ALA MB 2.500 . 2.800 2.132 2.072 2.231 . 0 0 "[ . 1 . 2]" 1
37 1 71 ALA H 1 72 ALA H 2.500 . 2.800 2.552 2.518 2.573 . 0 0 "[ . 1 . 2]" 1
38 1 79 GLU HB2 1 79 GLU QG 2.500 . 2.800 2.130 2.109 2.376 . 0 0 "[ . 1 . 2]" 1
39 1 80 VAL H 1 80 VAL HB 2.500 . 2.800 2.565 2.491 2.636 . 0 0 "[ . 1 . 2]" 1
40 1 80 VAL H 1 80 VAL MG2 2.500 . 2.800 2.257 2.117 2.360 . 0 0 "[ . 1 . 2]" 1
41 1 88 PHE H 1 89 GLY H 2.500 . 2.800 2.321 2.180 2.443 . 0 0 "[ . 1 . 2]" 1
42 1 92 VAL HA 1 93 ILE H 2.500 . 2.800 2.289 2.172 2.383 . 0 0 "[ . 1 . 2]" 1
43 1 93 ILE HA 1 94 LYS H 2.500 . 2.800 2.120 2.106 2.140 . 0 0 "[ . 1 . 2]" 1
44 1 95 ARG H 1 95 ARG QB 2.500 . 2.800 2.105 2.036 2.245 . 0 0 "[ . 1 . 2]" 1
45 1 10 ILE HA 1 10 ILE MG 3.500 . 3.800 2.134 2.000 2.243 . 0 0 "[ . 1 . 2]" 1
46 1 10 ILE HB 1 10 ILE MD 3.500 . 3.800 2.381 1.964 3.203 . 0 0 "[ . 1 . 2]" 1
47 1 10 ILE HB 1 11 LYS H 3.500 . 3.800 3.556 3.347 3.815 0.015 11 0 "[ . 1 . 2]" 1
48 1 10 ILE HB 1 12 CYS H 4.500 . 5.000 4.056 3.548 4.334 . 0 0 "[ . 1 . 2]" 1
49 1 10 ILE MD 1 72 ALA MB 3.500 . 3.800 2.034 1.772 3.262 0.028 5 0 "[ . 1 . 2]" 1
50 1 10 ILE MD 1 73 PHE HA 3.500 . 3.800 2.343 2.052 2.667 . 0 0 "[ . 1 . 2]" 1
51 1 10 ILE MD 1 10 ILE MG 3.500 . 3.800 2.167 1.797 2.929 0.003 2 0 "[ . 1 . 2]" 1
52 1 10 ILE HG12 1 10 ILE MG 3.500 . 3.800 2.337 1.978 3.191 . 0 0 "[ . 1 . 2]" 1
53 1 10 ILE MG 1 12 CYS HB2 3.500 . 3.800 3.669 2.877 3.904 0.104 7 0 "[ . 1 . 2]" 1
54 1 10 ILE MG 1 72 ALA MB 3.500 . 3.800 3.322 2.169 3.731 . 0 0 "[ . 1 . 2]" 1
55 1 10 ILE H 1 59 PHE H 3.500 . 3.800 2.219 1.800 2.993 0.000 4 0 "[ . 1 . 2]" 1
56 1 11 LYS HA 1 11 LYS HG2 3.500 . 3.800 3.152 3.060 3.330 . 0 0 "[ . 1 . 2]" 1
57 1 11 LYS HB2 1 97 GLY H 3.500 . 3.800 3.868 3.834 3.904 0.104 12 0 "[ . 1 . 2]" 1
58 1 11 LYS QE 1 11 LYS HG2 3.500 . 3.800 2.020 1.974 2.175 . 0 0 "[ . 1 . 2]" 1
59 1 11 LYS H 1 11 LYS HG3 3.500 . 3.800 2.424 2.295 2.499 . 0 0 "[ . 1 . 2]" 1
60 1 12 CYS HA 1 96 LEU H 3.500 . 3.800 1.889 1.805 1.985 . 0 0 "[ . 1 . 2]" 1
61 1 12 CYS HB3 1 93 ILE MG 3.500 . 3.800 2.634 2.363 3.287 . 0 0 "[ . 1 . 2]" 1
62 1 12 CYS HB2 1 13 SER H 3.500 . 3.800 3.351 2.497 3.796 . 0 0 "[ . 1 . 2]" 1
63 1 12 CYS H 1 56 LEU HB3 3.500 . 3.800 3.846 3.828 3.883 0.083 7 0 "[ . 1 . 2]" 1
64 1 13 SER HA 1 55 SER HA 3.500 . 3.800 3.161 2.805 3.402 . 0 0 "[ . 1 . 2]" 1
65 1 13 SER QB 1 55 SER HA 3.500 . 3.800 3.081 2.205 3.649 . 0 0 "[ . 1 . 2]" 1
66 1 13 SER H 1 13 SER QB 3.500 . 3.800 2.630 2.392 3.198 . 0 0 "[ . 1 . 2]" 1
67 1 13 SER H 1 95 ARG HA 3.500 . 3.800 3.433 3.295 3.747 . 0 0 "[ . 1 . 2]" 1
68 1 14 HIS HA 1 15 ILE H 3.500 . 3.800 2.234 2.166 2.301 . 0 0 "[ . 1 . 2]" 1
69 1 14 HIS QB 1 15 ILE H 3.500 . 3.800 2.760 2.520 3.580 . 0 0 "[ . 1 . 2]" 1
70 1 15 ILE HA 1 15 ILE HG12 3.500 . 3.800 3.471 3.390 3.565 . 0 0 "[ . 1 . 2]" 1
71 1 15 ILE HB 1 15 ILE MD 3.500 . 3.800 2.201 2.151 2.310 . 0 0 "[ . 1 . 2]" 1
72 1 15 ILE MD 1 40 ALA MB 3.500 . 3.800 3.682 2.695 3.828 0.028 10 0 "[ . 1 . 2]" 1
73 1 15 ILE MD 1 15 ILE MG 3.500 . 3.800 3.150 3.102 3.229 . 0 0 "[ . 1 . 2]" 1
74 1 15 ILE MG 1 16 LEU H 3.500 . 3.800 2.583 1.956 3.029 . 0 0 "[ . 1 . 2]" 1
75 1 15 ILE MG 1 39 LEU HB2 3.500 . 3.800 3.431 3.154 3.837 0.037 19 0 "[ . 1 . 2]" 1
76 1 15 ILE MG 1 43 LEU MD2 3.500 . 3.800 2.070 1.779 2.470 0.021 2 0 "[ . 1 . 2]" 1
77 1 15 ILE MG 1 44 SER HB3 3.500 . 3.800 3.692 3.411 3.810 0.010 1 0 "[ . 1 . 2]" 1
78 1 15 ILE MG 1 44 SER HB2 3.500 . 3.800 2.956 2.180 3.541 . 0 0 "[ . 1 . 2]" 1
79 1 15 ILE MG 1 92 VAL HB 3.500 . 3.800 3.375 3.054 3.812 0.012 20 0 "[ . 1 . 2]" 1
80 1 15 ILE H 1 15 ILE HB 3.500 . 3.800 2.820 2.566 2.911 . 0 0 "[ . 1 . 2]" 1
81 1 15 ILE H 1 15 ILE MD 3.500 . 3.800 2.903 2.751 3.066 . 0 0 "[ . 1 . 2]" 1
82 1 16 LEU HA 1 16 LEU QD 3.500 . 3.800 2.176 1.871 2.772 . 0 0 "[ . 1 . 2]" 1
83 1 16 LEU HB2 1 45 ILE MD 3.500 . 3.800 3.845 3.809 3.923 0.123 9 0 "[ . 1 . 2]" 1
84 1 16 LEU HB2 1 45 ILE H 3.500 . 3.800 3.644 2.950 3.859 0.059 18 0 "[ . 1 . 2]" 1
85 1 16 LEU HB2 1 46 ASP H 3.500 . 3.800 2.831 1.827 3.475 . 0 0 "[ . 1 . 2]" 1
86 1 16 LEU H 1 45 ILE H 3.500 . 3.800 3.093 2.777 3.485 . 0 0 "[ . 1 . 2]" 1
87 1 16 LEU H 1 46 ASP H 3.500 . 3.800 3.043 2.878 3.234 . 0 0 "[ . 1 . 2]" 1
88 1 16 LEU QD 1 17 VAL H 3.500 . 3.800 2.494 1.934 3.009 . 0 0 "[ . 1 . 2]" 1
89 1 16 LEU QD 1 45 ILE MD 3.500 . 3.800 2.539 1.887 3.684 . 0 0 "[ . 1 . 2]" 1
90 1 16 LEU QD 1 88 PHE HB2 3.500 . 3.800 3.132 2.719 3.802 0.002 4 0 "[ . 1 . 2]" 1
91 1 16 LEU QD 1 89 GLY HA2 3.500 . 3.800 3.347 3.125 3.805 0.005 13 0 "[ . 1 . 2]" 1
92 1 17 VAL HA 1 17 VAL MG1 3.500 . 3.800 2.316 2.166 2.414 . 0 0 "[ . 1 . 2]" 1
93 1 17 VAL HA 1 17 VAL MG2 3.500 . 3.800 3.197 3.179 3.214 . 0 0 "[ . 1 . 2]" 1
94 1 17 VAL HB 1 18 LYS H 3.500 . 3.800 3.112 3.034 3.165 . 0 0 "[ . 1 . 2]" 1
95 1 17 VAL HB 1 19 LYS H 3.500 . 3.800 2.934 2.274 3.226 . 0 0 "[ . 1 . 2]" 1
96 1 17 VAL MG2 1 19 LYS H 3.500 . 3.800 3.307 2.818 3.800 . 0 0 "[ . 1 . 2]" 1
97 1 17 VAL MG2 1 22 GLU HB2 3.500 . 3.800 3.897 3.854 3.999 0.199 12 0 "[ . 1 . 2]" 1
98 1 17 VAL MG2 1 23 ALA HA 3.500 . 3.800 2.765 2.561 3.182 . 0 0 "[ . 1 . 2]" 1
99 1 17 VAL MG2 1 23 ALA MB 3.500 . 3.800 2.283 2.064 2.631 . 0 0 "[ . 1 . 2]" 1
100 1 17 VAL MG2 1 23 ALA H 3.500 . 3.800 2.675 2.446 2.901 . 0 0 "[ . 1 . 2]" 1
101 1 17 VAL MG2 1 26 VAL MG1 3.500 . 3.800 3.115 2.882 3.594 . 0 0 "[ . 1 . 2]" 1
102 1 17 VAL MG2 1 90 TYR HB3 3.500 . 3.800 2.904 2.602 3.591 . 0 0 "[ . 1 . 2]" 1
103 1 17 VAL H 1 17 VAL MG2 3.500 . 3.800 2.273 2.127 2.414 . 0 0 "[ . 1 . 2]" 1
104 1 18 LYS HA 1 18 LYS QG 3.500 . 3.800 2.432 2.048 3.416 . 0 0 "[ . 1 . 2]" 1
105 1 18 LYS QD 1 45 ILE MD 3.500 . 3.800 2.514 1.797 3.800 0.003 16 0 "[ . 1 . 2]" 1
106 1 18 LYS QE 1 45 ILE MD 3.500 . 3.800 2.749 1.888 3.788 . 0 0 "[ . 1 . 2]" 1
107 1 18 LYS H 1 18 LYS QG 3.500 . 3.800 2.909 1.982 3.760 . 0 0 "[ . 1 . 2]" 1
108 1 18 LYS H 1 19 LYS H 3.500 . 3.800 2.547 2.477 2.615 . 0 0 "[ . 1 . 2]" 1
109 1 18 LYS H 1 45 ILE MD 3.500 . 3.800 2.936 2.814 3.080 . 0 0 "[ . 1 . 2]" 1
110 1 19 LYS HA 1 19 LYS HG3 3.500 . 3.800 3.396 2.897 3.884 0.084 11 0 "[ . 1 . 2]" 1
111 1 19 LYS HA 1 20 GLN H 3.500 . 3.800 2.304 2.248 2.399 . 0 0 "[ . 1 . 2]" 1
112 1 19 LYS H 1 19 LYS HG2 3.500 . 3.800 3.110 1.926 3.940 0.140 16 0 "[ . 1 . 2]" 1
113 1 20 GLN H 1 20 GLN QB 3.500 . 3.800 2.506 2.233 2.790 . 0 0 "[ . 1 . 2]" 1
114 1 22 GLU HA 1 22 GLU HG3 3.500 . 3.800 3.589 3.548 3.652 . 0 0 "[ . 1 . 2]" 1
115 1 22 GLU HA 1 25 ALA MB 3.500 . 3.800 2.262 2.095 2.382 . 0 0 "[ . 1 . 2]" 1
116 1 22 GLU HB3 1 23 ALA H 3.500 . 3.800 3.658 3.425 3.782 . 0 0 "[ . 1 . 2]" 1
117 1 22 GLU HB2 1 23 ALA H 3.500 . 3.800 3.904 3.885 3.966 0.166 20 0 "[ . 1 . 2]" 1
118 1 22 GLU HB2 1 26 VAL MG1 3.500 . 3.800 2.930 2.628 3.344 . 0 0 "[ . 1 . 2]" 1
119 1 22 GLU H 1 22 GLU HB3 3.500 . 3.800 2.343 2.153 2.457 . 0 0 "[ . 1 . 2]" 1
120 1 22 GLU H 1 22 GLU HB2 3.500 . 3.800 3.544 3.455 3.585 . 0 0 "[ . 1 . 2]" 1
121 1 22 GLU H 1 22 GLU HG3 3.500 . 3.800 2.896 2.798 3.047 . 0 0 "[ . 1 . 2]" 1
122 1 22 GLU H 1 23 ALA H 3.500 . 3.800 2.486 2.423 2.614 . 0 0 "[ . 1 . 2]" 1
123 1 23 ALA HA 1 26 VAL MG1 3.500 . 3.800 2.579 2.037 3.389 . 0 0 "[ . 1 . 2]" 1
124 1 23 ALA MB 1 83 PRO HB3 3.500 . 3.800 2.614 1.865 3.029 . 0 0 "[ . 1 . 2]" 1
125 1 23 ALA MB 1 83 PRO HB2 3.500 . 3.800 3.642 2.810 3.833 0.033 10 0 "[ . 1 . 2]" 1
126 1 23 ALA H 1 24 LEU H 3.500 . 3.800 2.776 2.703 2.917 . 0 0 "[ . 1 . 2]" 1
127 1 24 LEU HA 1 24 LEU MD2 3.500 . 3.800 1.995 1.898 2.118 . 0 0 "[ . 1 . 2]" 1
128 1 24 LEU HA 1 27 GLN HB3 3.500 . 3.800 3.854 3.821 3.997 0.197 20 0 "[ . 1 . 2]" 1
129 1 24 LEU HB2 1 25 ALA H 3.500 . 3.800 3.628 3.209 3.771 . 0 0 "[ . 1 . 2]" 1
130 1 24 LEU MD2 1 83 PRO HG3 3.500 . 3.800 1.875 1.796 2.122 0.004 15 0 "[ . 1 . 2]" 1
131 1 24 LEU H 1 25 ALA H 3.500 . 3.800 2.470 2.446 2.540 . 0 0 "[ . 1 . 2]" 1
132 1 25 ALA HA 1 28 GLU HB3 3.500 . 3.800 3.768 3.389 3.846 0.046 16 0 "[ . 1 . 2]" 1
133 1 25 ALA MB 1 26 VAL H 3.500 . 3.800 2.519 2.193 2.697 . 0 0 "[ . 1 . 2]" 1
134 1 25 ALA H 1 26 VAL H 3.500 . 3.800 2.521 2.412 2.968 . 0 0 "[ . 1 . 2]" 1
135 1 26 VAL HA 1 26 VAL MG1 3.500 . 3.800 2.442 2.286 2.509 . 0 0 "[ . 1 . 2]" 1
136 1 26 VAL HA 1 26 VAL MG2 3.500 . 3.800 3.191 3.180 3.203 . 0 0 "[ . 1 . 2]" 1
137 1 26 VAL HA 1 29 ARG H 3.500 . 3.800 3.140 3.028 3.231 . 0 0 "[ . 1 . 2]" 1
138 1 26 VAL MG1 1 39 LEU MD1 3.500 . 3.800 3.203 2.617 3.669 . 0 0 "[ . 1 . 2]" 1
139 1 26 VAL MG1 1 43 LEU HG 3.500 . 3.800 2.587 2.228 2.932 . 0 0 "[ . 1 . 2]" 1
140 1 26 VAL MG2 1 27 GLN HA 3.500 . 3.800 2.958 2.851 3.070 . 0 0 "[ . 1 . 2]" 1
141 1 26 VAL MG2 1 80 VAL MG1 3.500 . 3.800 3.110 2.804 3.357 . 0 0 "[ . 1 . 2]" 1
142 1 26 VAL H 1 26 VAL HB 3.500 . 3.800 3.602 3.589 3.630 . 0 0 "[ . 1 . 2]" 1
143 1 26 VAL H 1 26 VAL MG1 3.500 . 3.800 1.969 1.887 2.180 . 0 0 "[ . 1 . 2]" 1
144 1 26 VAL H 1 26 VAL MG2 3.500 . 3.800 2.501 2.290 2.663 . 0 0 "[ . 1 . 2]" 1
145 1 26 VAL H 1 27 GLN H 3.500 . 3.800 2.826 2.735 2.921 . 0 0 "[ . 1 . 2]" 1
146 1 27 GLN HA 1 80 VAL MG2 3.500 . 3.800 2.022 1.789 2.250 0.011 20 0 "[ . 1 . 2]" 1
147 1 27 GLN HB3 1 28 GLU H 3.500 . 3.800 3.687 3.305 3.847 0.047 1 0 "[ . 1 . 2]" 1
148 1 27 GLN HB2 1 80 VAL MG2 3.500 . 3.800 3.288 3.028 3.875 0.075 20 0 "[ . 1 . 2]" 1
149 1 27 GLN H 1 27 GLN HB3 3.500 . 3.800 2.455 2.259 3.594 . 0 0 "[ . 1 . 2]" 1
150 1 27 GLN H 1 27 GLN HG3 3.500 . 3.800 3.329 2.164 3.533 . 0 0 "[ . 1 . 2]" 1
151 1 27 GLN H 1 28 GLU H 3.500 . 3.800 2.796 2.676 2.959 . 0 0 "[ . 1 . 2]" 1
152 1 28 GLU HA 1 28 GLU HG3 3.500 . 3.800 3.424 3.016 3.757 . 0 0 "[ . 1 . 2]" 1
153 1 28 GLU H 1 28 GLU HB3 3.500 . 3.800 2.376 2.065 3.357 . 0 0 "[ . 1 . 2]" 1
154 1 28 GLU H 1 28 GLU HG2 3.500 . 3.800 3.216 2.532 3.825 0.025 15 0 "[ . 1 . 2]" 1
155 1 29 ARG HA 1 29 ARG HG3 3.500 . 3.800 2.841 2.676 3.076 . 0 0 "[ . 1 . 2]" 1
156 1 29 ARG HA 1 32 ALA MB 3.500 . 3.800 2.062 1.894 2.492 . 0 0 "[ . 1 . 2]" 1
157 1 29 ARG HA 1 32 ALA H 3.500 . 3.800 3.325 3.249 3.452 . 0 0 "[ . 1 . 2]" 1
158 1 29 ARG HG3 1 32 ALA MB 3.500 . 3.800 3.131 2.829 3.533 . 0 0 "[ . 1 . 2]" 1
159 1 30 LEU HA 1 30 LEU MD1 3.500 . 3.800 2.701 2.591 2.794 . 0 0 "[ . 1 . 2]" 1
160 1 30 LEU HA 1 31 LYS H 3.500 . 3.800 3.567 3.532 3.577 . 0 0 "[ . 1 . 2]" 1
161 1 30 LEU HB3 1 31 LYS H 3.500 . 3.800 2.258 2.169 2.473 . 0 0 "[ . 1 . 2]" 1
162 1 30 LEU HB2 1 31 LYS H 3.500 . 3.800 3.544 3.480 3.655 . 0 0 "[ . 1 . 2]" 1
163 1 30 LEU MD1 1 36 PHE HA 3.500 . 3.800 3.452 3.124 3.742 . 0 0 "[ . 1 . 2]" 1
164 1 30 LEU MD1 1 36 PHE QD 3.500 . 3.800 2.765 2.067 3.080 . 0 0 "[ . 1 . 2]" 1
165 1 30 LEU MD1 1 39 LEU MD2 3.500 . 3.800 3.375 3.219 3.646 . 0 0 "[ . 1 . 2]" 1
166 1 30 LEU MD2 1 39 LEU HB2 3.500 . 3.800 3.239 3.121 3.322 . 0 0 "[ . 1 . 2]" 1
167 1 30 LEU H 1 30 LEU HB3 3.500 . 3.800 2.760 2.637 2.803 . 0 0 "[ . 1 . 2]" 1
168 1 30 LEU H 1 30 LEU HB2 3.500 . 3.800 2.257 2.218 2.364 . 0 0 "[ . 1 . 2]" 1
169 1 30 LEU H 1 30 LEU MD2 3.500 . 3.800 3.684 3.619 3.821 0.021 4 0 "[ . 1 . 2]" 1
170 1 30 LEU H 1 80 VAL MG2 3.500 . 3.800 3.776 3.604 3.851 0.051 20 0 "[ . 1 . 2]" 1
171 1 31 LYS HA 1 33 GLY H 3.500 . 3.800 3.501 3.402 3.707 . 0 0 "[ . 1 . 2]" 1
172 1 31 LYS HB3 1 31 LYS HD2 3.500 . 3.800 2.044 1.954 3.493 . 0 0 "[ . 1 . 2]" 1
173 1 31 LYS H 1 31 LYS HD2 3.500 . 3.800 2.741 2.576 2.954 . 0 0 "[ . 1 . 2]" 1
174 1 32 ALA MB 1 33 GLY H 3.500 . 3.800 3.026 2.827 3.720 . 0 0 "[ . 1 . 2]" 1
175 1 32 ALA H 1 33 GLY H 3.500 . 3.800 2.809 2.620 3.500 . 0 0 "[ . 1 . 2]" 1
176 1 32 ALA H 1 34 GLU H 3.500 . 3.800 3.799 3.509 3.861 0.061 17 0 "[ . 1 . 2]" 1
177 1 34 GLU HA 1 34 GLU HG3 3.500 . 3.800 3.743 3.506 3.813 0.013 20 0 "[ . 1 . 2]" 1
178 1 34 GLU HA 1 35 LYS H 3.500 . 3.800 2.329 2.300 2.349 . 0 0 "[ . 1 . 2]" 1
179 1 34 GLU HB3 1 35 LYS H 3.500 . 3.800 3.732 2.841 3.837 0.037 20 0 "[ . 1 . 2]" 1
180 1 34 GLU HB2 1 35 LYS H 3.500 . 3.800 2.614 2.538 3.131 . 0 0 "[ . 1 . 2]" 1
181 1 34 GLU HB2 1 38 LYS QG 3.500 . 3.800 3.726 3.356 3.827 0.027 2 0 "[ . 1 . 2]" 1
182 1 34 GLU HB2 1 39 LEU MD2 3.500 . 3.800 2.715 2.597 2.964 . 0 0 "[ . 1 . 2]" 1
183 1 34 GLU H 1 34 GLU HB3 3.500 . 3.800 2.855 2.667 3.635 . 0 0 "[ . 1 . 2]" 1
184 1 34 GLU H 1 34 GLU HG3 3.500 . 3.800 2.881 1.798 3.374 0.002 17 0 "[ . 1 . 2]" 1
185 1 35 LYS HA 1 35 LYS QG 3.500 . 3.800 2.433 2.089 3.319 . 0 0 "[ . 1 . 2]" 1
186 1 35 LYS H 1 35 LYS HB3 3.500 . 3.800 2.765 2.545 3.131 . 0 0 "[ . 1 . 2]" 1
187 1 35 LYS H 1 35 LYS HB2 3.500 . 3.800 2.726 2.224 3.703 . 0 0 "[ . 1 . 2]" 1
188 1 37 GLY HA3 1 53 ASP HB2 3.500 . 3.800 1.956 1.819 2.141 . 0 0 "[ . 1 . 2]" 1
189 1 37 GLY HA2 1 53 ASP HB2 3.500 . 3.800 2.230 1.992 2.598 . 0 0 "[ . 1 . 2]" 1
190 1 37 GLY H 1 38 LYS H 3.500 . 3.800 2.697 2.614 2.782 . 0 0 "[ . 1 . 2]" 1
191 1 38 LYS HA 1 38 LYS QG 3.500 . 3.800 2.412 2.032 2.780 . 0 0 "[ . 1 . 2]" 1
192 1 38 LYS QB 1 39 LEU H 3.500 . 3.800 2.338 2.256 2.452 . 0 0 "[ . 1 . 2]" 1
193 1 39 LEU HA 1 39 LEU MD2 3.500 . 3.800 3.071 2.859 3.183 . 0 0 "[ . 1 . 2]" 1
194 1 39 LEU HA 1 42 GLU HB2 3.500 . 3.800 1.997 1.931 2.138 . 0 0 "[ . 1 . 2]" 1
195 1 39 LEU HA 1 43 LEU H 3.500 . 3.800 2.716 2.562 2.785 . 0 0 "[ . 1 . 2]" 1
196 1 39 LEU HB3 1 40 ALA H 3.500 . 3.800 3.732 3.665 3.792 . 0 0 "[ . 1 . 2]" 1
197 1 39 LEU HB2 1 40 ALA H 3.500 . 3.800 2.784 2.739 2.857 . 0 0 "[ . 1 . 2]" 1
198 1 39 LEU MD1 1 42 GLU HB2 3.500 . 3.800 3.041 2.966 3.236 . 0 0 "[ . 1 . 2]" 1
199 1 39 LEU MD1 1 43 LEU MD1 3.500 . 3.800 1.754 1.738 1.772 0.062 12 0 "[ . 1 . 2]" 1
200 1 39 LEU H 1 39 LEU HB3 3.500 . 3.800 3.596 3.587 3.613 . 0 0 "[ . 1 . 2]" 1
201 1 39 LEU H 1 40 ALA H 3.500 . 3.800 2.749 2.694 2.800 . 0 0 "[ . 1 . 2]" 1
202 1 3 MET HA 1 3 MET QG 3.500 . 3.800 2.623 2.038 3.427 . 0 0 "[ . 1 . 2]" 1
203 1 40 ALA MB 1 41 LYS H 3.500 . 3.800 2.313 2.207 2.435 . 0 0 "[ . 1 . 2]" 1
204 1 40 ALA MB 1 50 ALA MB 3.500 . 3.800 2.629 2.351 2.968 . 0 0 "[ . 1 . 2]" 1
205 1 41 LYS H 1 41 LYS QB 3.500 . 3.800 2.640 2.526 2.781 . 0 0 "[ . 1 . 2]" 1
206 1 41 LYS H 1 41 LYS QG 3.500 . 3.800 2.156 1.948 2.524 . 0 0 "[ . 1 . 2]" 1
207 1 41 LYS H 1 42 GLU H 3.500 . 3.800 2.304 2.289 2.321 . 0 0 "[ . 1 . 2]" 1
208 1 42 GLU HA 1 42 GLU QG 3.500 . 3.800 2.175 1.992 2.541 . 0 0 "[ . 1 . 2]" 1
209 1 42 GLU HB3 1 43 LEU MD2 3.500 . 3.800 3.336 3.106 3.496 . 0 0 "[ . 1 . 2]" 1
210 1 42 GLU HB2 1 43 LEU H 3.500 . 3.800 2.861 2.815 2.903 . 0 0 "[ . 1 . 2]" 1
211 1 42 GLU H 1 42 GLU HB3 3.500 . 3.800 3.276 3.251 3.311 . 0 0 "[ . 1 . 2]" 1
212 1 42 GLU H 1 42 GLU HB2 3.500 . 3.800 2.054 2.035 2.074 . 0 0 "[ . 1 . 2]" 1
213 1 42 GLU H 1 43 LEU H 3.500 . 3.800 3.024 2.984 3.050 . 0 0 "[ . 1 . 2]" 1
214 1 43 LEU HA 1 43 LEU MD2 3.500 . 3.800 3.451 3.425 3.465 . 0 0 "[ . 1 . 2]" 1
215 1 43 LEU MD2 1 44 SER HB3 4.500 . 5.000 4.285 4.093 4.514 . 0 0 "[ . 1 . 2]" 1
216 1 43 LEU MD2 1 44 SER H 3.500 . 3.800 2.122 1.979 2.316 . 0 0 "[ . 1 . 2]" 1
217 1 43 LEU H 1 43 LEU MD2 3.500 . 3.800 1.887 1.850 1.927 . 0 0 "[ . 1 . 2]" 1
218 1 44 SER HA 1 46 ASP H 3.500 . 3.800 3.656 3.477 3.835 0.035 10 0 "[ . 1 . 2]" 1
219 1 44 SER HB2 1 50 ALA MB 3.500 . 3.800 3.823 3.709 3.848 0.048 12 0 "[ . 1 . 2]" 1
220 1 44 SER H 1 44 SER HB3 3.500 . 3.800 3.212 2.852 3.418 . 0 0 "[ . 1 . 2]" 1
221 1 44 SER H 1 44 SER HB2 3.500 . 3.800 2.119 2.059 2.322 . 0 0 "[ . 1 . 2]" 1
222 1 45 ILE HA 1 45 ILE MG 3.500 . 3.800 2.231 2.078 2.446 . 0 0 "[ . 1 . 2]" 1
223 1 45 ILE HB 1 45 ILE MD 3.500 . 3.800 2.139 2.009 2.417 . 0 0 "[ . 1 . 2]" 1
224 1 45 ILE HG13 1 46 ASP H 3.500 . 3.800 2.571 2.013 3.048 . 0 0 "[ . 1 . 2]" 1
225 1 45 ILE H 1 45 ILE MD 3.500 . 3.800 3.660 3.507 3.854 0.054 11 0 "[ . 1 . 2]" 1
226 1 45 ILE H 1 45 ILE HG13 3.500 . 3.800 2.246 1.770 2.926 0.030 8 0 "[ . 1 . 2]" 1
227 1 45 ILE H 1 45 ILE MG 3.500 . 3.800 2.829 2.380 3.199 . 0 0 "[ . 1 . 2]" 1
228 1 45 ILE H 1 46 ASP H 3.500 . 3.800 2.167 2.075 2.311 . 0 0 "[ . 1 . 2]" 1
229 1 46 ASP H 1 46 ASP HB2 3.500 . 3.800 3.096 2.308 3.596 . 0 0 "[ . 1 . 2]" 1
230 1 49 SER H 1 50 ALA H 3.500 . 3.800 2.779 2.626 2.836 . 0 0 "[ . 1 . 2]" 1
231 1 51 LYS HA 1 51 LYS QD 3.500 . 3.800 3.272 2.183 3.833 0.033 8 0 "[ . 1 . 2]" 1
232 1 51 LYS HA 1 51 LYS HG3 3.500 . 3.800 2.721 2.046 3.694 . 0 0 "[ . 1 . 2]" 1
233 1 51 LYS HB3 1 52 ARG H 3.500 . 3.800 3.806 3.622 4.168 0.368 11 0 "[ . 1 . 2]" 1
234 1 51 LYS QE 1 51 LYS HG3 3.500 . 3.800 2.598 1.946 3.308 . 0 0 "[ . 1 . 2]" 1
235 1 51 LYS H 1 51 LYS HB3 3.500 . 3.800 3.347 2.939 3.493 . 0 0 "[ . 1 . 2]" 1
236 1 51 LYS H 1 51 LYS HB2 3.500 . 3.800 2.184 2.056 3.588 . 0 0 "[ . 1 . 2]" 1
237 1 51 LYS H 1 51 LYS HG3 3.500 . 3.800 3.610 1.779 3.843 0.043 18 0 "[ . 1 . 2]" 1
238 1 51 LYS H 1 52 ARG H 3.500 . 3.800 2.463 2.184 2.720 . 0 0 "[ . 1 . 2]" 1
239 1 52 ARG H 1 52 ARG HG3 3.500 . 3.800 2.960 1.975 3.818 0.018 7 0 "[ . 1 . 2]" 1
240 1 52 ARG H 1 52 ARG HG2 3.500 . 3.800 2.649 1.868 3.816 0.016 7 0 "[ . 1 . 2]" 1
241 1 55 SER HA 1 96 LEU MD2 3.500 . 3.800 2.080 1.797 2.470 0.003 11 0 "[ . 1 . 2]" 1
242 1 55 SER QB 1 56 LEU H 3.500 . 3.800 3.820 3.802 3.838 0.038 8 0 "[ . 1 . 2]" 1
243 1 55 SER H 1 55 SER QB 3.500 . 3.800 2.293 2.111 2.776 . 0 0 "[ . 1 . 2]" 1
244 1 56 LEU HA 1 56 LEU MD2 3.500 . 3.800 1.943 1.843 2.167 . 0 0 "[ . 1 . 2]" 1
245 1 56 LEU MD1 1 64 MET ME 3.500 . 3.800 2.986 1.958 3.808 0.008 14 0 "[ . 1 . 2]" 1
246 1 56 LEU MD1 1 93 ILE MG 3.500 . 3.800 2.814 2.289 3.340 . 0 0 "[ . 1 . 2]" 1
247 1 57 GLY HA3 1 58 TYR H 3.500 . 3.800 2.415 2.350 2.488 . 0 0 "[ . 1 . 2]" 1
248 1 57 GLY HA2 1 58 TYR H 3.500 . 3.800 2.715 2.646 2.799 . 0 0 "[ . 1 . 2]" 1
249 1 58 TYR HA 1 59 PHE H 3.500 . 3.800 2.109 2.099 2.125 . 0 0 "[ . 1 . 2]" 1
250 1 58 TYR H 1 58 TYR HB3 3.500 . 3.800 3.351 2.736 3.526 . 0 0 "[ . 1 . 2]" 1
251 1 58 TYR H 1 58 TYR HB2 3.500 . 3.800 3.237 3.079 3.578 . 0 0 "[ . 1 . 2]" 1
252 1 59 PHE HB3 1 60 GLY H 3.500 . 3.800 2.862 2.465 3.933 0.133 6 0 "[ . 1 . 2]" 1
253 1 59 PHE HB2 1 60 GLY H 3.500 . 3.800 3.707 2.903 3.938 0.138 4 0 "[ . 1 . 2]" 1
254 1 59 PHE H 1 59 PHE HB3 3.500 . 3.800 3.641 3.353 3.821 0.021 9 0 "[ . 1 . 2]" 1
255 1 61 ARG HA 1 61 ARG QG 3.500 . 3.800 3.182 2.402 3.418 . 0 0 "[ . 1 . 2]" 1
256 1 61 ARG HB3 1 61 ARG QD 3.500 . 3.800 2.494 1.952 3.305 . 0 0 "[ . 1 . 2]" 1
257 1 61 ARG HB2 1 61 ARG QD 3.500 . 3.800 2.539 1.954 3.267 . 0 0 "[ . 1 . 2]" 1
258 1 63 LYS HA 1 63 LYS QD 3.500 . 3.800 3.005 2.112 3.797 . 0 0 "[ . 1 . 2]" 1
259 1 63 LYS HA 1 63 LYS QG 3.500 . 3.800 2.334 2.027 2.910 . 0 0 "[ . 1 . 2]" 1
260 1 63 LYS HA 1 64 MET H 3.500 . 3.800 3.451 2.932 3.567 . 0 0 "[ . 1 . 2]" 1
261 1 63 LYS H 1 63 LYS QB 3.500 . 3.800 2.602 2.162 2.739 . 0 0 "[ . 1 . 2]" 1
262 1 64 MET HA 1 65 VAL H 3.500 . 3.800 2.452 2.265 2.524 . 0 0 "[ . 1 . 2]" 1
263 1 64 MET H 1 64 MET HB3 3.500 . 3.800 3.524 2.949 3.859 0.059 18 0 "[ . 1 . 2]" 1
264 1 65 VAL HA 1 65 VAL MG1 3.500 . 3.800 2.388 2.251 2.457 . 0 0 "[ . 1 . 2]" 1
265 1 65 VAL HA 1 65 VAL MG2 3.500 . 3.800 3.188 3.184 3.192 . 0 0 "[ . 1 . 2]" 1
266 1 65 VAL MG1 1 88 PHE QD 3.500 . 3.800 3.605 3.006 3.807 0.007 12 0 "[ . 1 . 2]" 1
267 1 65 VAL MG2 1 66 LYS H 3.500 . 3.800 3.502 3.386 3.641 . 0 0 "[ . 1 . 2]" 1
268 1 65 VAL MG2 1 67 PRO HD3 3.500 . 3.800 3.755 3.612 3.818 0.018 9 0 "[ . 1 . 2]" 1
269 1 65 VAL MG2 1 67 PRO HD2 3.500 . 3.800 2.397 2.205 2.476 . 0 0 "[ . 1 . 2]" 1
270 1 65 VAL MG2 1 67 PRO HG3 3.500 . 3.800 3.394 3.298 3.446 . 0 0 "[ . 1 . 2]" 1
271 1 65 VAL MG2 1 68 PHE QD 3.500 . 3.800 3.372 3.310 3.443 . 0 0 "[ . 1 . 2]" 1
272 1 65 VAL MG2 1 69 GLU H 3.500 . 3.800 2.595 2.391 2.814 . 0 0 "[ . 1 . 2]" 1
273 1 65 VAL MG2 1 84 VAL MG1 3.500 . 3.800 3.372 3.294 3.438 . 0 0 "[ . 1 . 2]" 1
274 1 65 VAL MG2 1 86 SER QB 3.500 . 3.800 3.051 2.424 3.400 . 0 0 "[ . 1 . 2]" 1
275 1 65 VAL H 1 65 VAL MG1 3.500 . 3.800 2.118 1.972 2.339 . 0 0 "[ . 1 . 2]" 1
276 1 65 VAL H 1 65 VAL MG2 3.500 . 3.800 2.318 2.266 2.380 . 0 0 "[ . 1 . 2]" 1
277 1 66 LYS HA 1 69 GLU HB3 3.500 . 3.800 2.964 2.799 3.103 . 0 0 "[ . 1 . 2]" 1
278 1 66 LYS HA 1 69 GLU H 3.500 . 3.800 3.824 3.803 3.840 0.040 13 0 "[ . 1 . 2]" 1
279 1 66 LYS HB3 1 67 PRO HD2 3.500 . 3.800 3.297 3.003 3.683 . 0 0 "[ . 1 . 2]" 1
280 1 66 LYS HB2 1 67 PRO HD2 3.500 . 3.800 3.384 2.981 3.693 . 0 0 "[ . 1 . 2]" 1
281 1 67 PRO HD3 1 68 PHE H 3.500 . 3.800 3.884 3.851 3.904 0.104 5 0 "[ . 1 . 2]" 1
282 1 68 PHE HA 1 71 ALA H 3.500 . 3.800 3.514 3.350 3.617 . 0 0 "[ . 1 . 2]" 1
283 1 68 PHE HA 1 84 VAL MG1 3.500 . 3.800 2.686 2.512 2.901 . 0 0 "[ . 1 . 2]" 1
284 1 68 PHE QD 1 69 GLU H 3.500 . 3.800 3.511 3.218 3.803 0.003 10 0 "[ . 1 . 2]" 1
285 1 68 PHE H 1 68 PHE HB3 3.500 . 3.800 2.687 2.578 2.732 . 0 0 "[ . 1 . 2]" 1
286 1 68 PHE H 1 68 PHE HB2 3.500 . 3.800 2.447 2.391 2.544 . 0 0 "[ . 1 . 2]" 1
287 1 68 PHE H 1 69 GLU H 3.500 . 3.800 2.605 2.566 2.633 . 0 0 "[ . 1 . 2]" 1
288 1 68 PHE H 1 70 ASP H 3.500 . 3.800 3.815 3.803 3.841 0.041 19 0 "[ . 1 . 2]" 1
289 1 69 GLU HA 1 69 GLU HG3 3.500 . 3.800 3.153 2.868 3.449 . 0 0 "[ . 1 . 2]" 1
290 1 69 GLU HA 1 69 GLU HG2 3.500 . 3.800 2.309 2.201 2.493 . 0 0 "[ . 1 . 2]" 1
291 1 69 GLU HA 1 69 GLU QG 3.500 . 3.800 2.247 2.172 2.371 . 0 0 "[ . 1 . 2]" 1
292 1 69 GLU HA 1 72 ALA MB 3.500 . 3.800 2.204 2.012 2.324 . 0 0 "[ . 1 . 2]" 1
293 1 69 GLU H 1 70 ASP H 3.500 . 3.800 2.689 2.652 2.715 . 0 0 "[ . 1 . 2]" 1
294 1 70 ASP QB 1 71 ALA H 3.500 . 3.800 2.453 2.294 2.583 . 0 0 "[ . 1 . 2]" 1
295 1 71 ALA HA 1 74 ARG QD 3.500 . 3.800 2.619 1.918 3.825 0.025 12 0 "[ . 1 . 2]" 1
296 1 71 ALA MB 1 72 ALA H 3.500 . 3.800 3.178 3.056 3.210 . 0 0 "[ . 1 . 2]" 1
297 1 71 ALA MB 1 93 ILE MD 3.500 . 3.800 1.813 1.775 1.994 0.025 16 0 "[ . 1 . 2]" 1
298 1 72 ALA HA 1 93 ILE MD 3.500 . 3.800 2.846 2.292 3.417 . 0 0 "[ . 1 . 2]" 1
299 1 72 ALA HA 1 93 ILE MG 3.500 . 3.800 2.533 2.149 3.428 . 0 0 "[ . 1 . 2]" 1
300 1 72 ALA MB 1 73 PHE H 3.500 . 3.800 2.451 2.285 2.648 . 0 0 "[ . 1 . 2]" 1
301 1 72 ALA MB 1 93 ILE MD 3.500 . 3.800 3.220 2.791 3.757 . 0 0 "[ . 1 . 2]" 1
302 1 72 ALA H 1 73 PHE H 3.500 . 3.800 2.721 2.605 2.922 . 0 0 "[ . 1 . 2]" 1
303 1 73 PHE HA 1 73 PHE QD 3.500 . 3.800 3.702 3.684 3.715 . 0 0 "[ . 1 . 2]" 1
304 1 73 PHE HA 1 74 ARG H 3.500 . 3.800 3.100 3.093 3.109 . 0 0 "[ . 1 . 2]" 1
305 1 73 PHE H 1 73 PHE HB3 3.500 . 3.800 3.016 2.934 3.112 . 0 0 "[ . 1 . 2]" 1
306 1 73 PHE H 1 73 PHE HB2 3.500 . 3.800 3.610 3.557 3.652 . 0 0 "[ . 1 . 2]" 1
307 1 73 PHE H 1 74 ARG H 3.500 . 3.800 2.646 2.520 2.757 . 0 0 "[ . 1 . 2]" 1
308 1 74 ARG H 1 74 ARG HB3 3.500 . 3.800 3.049 2.638 3.685 . 0 0 "[ . 1 . 2]" 1
309 1 74 ARG H 1 74 ARG HB2 3.500 . 3.800 2.526 2.212 3.706 . 0 0 "[ . 1 . 2]" 1
310 1 74 ARG H 1 74 ARG QB 3.500 . 3.800 2.326 2.179 2.603 . 0 0 "[ . 1 . 2]" 1
311 1 75 LEU HA 1 75 LEU MD2 3.500 . 3.800 1.929 1.846 2.269 . 0 0 "[ . 1 . 2]" 1
312 1 75 LEU HA 1 76 GLN H 3.500 . 3.800 2.522 2.428 2.657 . 0 0 "[ . 1 . 2]" 1
313 1 75 LEU HB3 1 79 GLU H 3.500 . 3.800 2.282 2.066 2.380 . 0 0 "[ . 1 . 2]" 1
314 1 75 LEU HB2 1 79 GLU H 3.500 . 3.800 3.621 2.727 3.817 0.017 9 0 "[ . 1 . 2]" 1
315 1 75 LEU MD1 1 79 GLU HB3 3.500 . 3.800 2.330 1.943 3.838 0.038 18 0 "[ . 1 . 2]" 1
316 1 75 LEU MD1 1 80 VAL HA 3.500 . 3.800 2.852 2.652 2.954 . 0 0 "[ . 1 . 2]" 1
317 1 75 LEU MD1 1 81 SER HA 3.500 . 3.800 2.293 1.820 2.588 . 0 0 "[ . 1 . 2]" 1
318 1 75 LEU MD1 1 81 SER QB 3.500 . 3.800 2.408 1.786 3.228 0.014 13 0 "[ . 1 . 2]" 1
319 1 75 LEU MD1 1 81 SER H 3.500 . 3.800 2.795 2.587 2.907 . 0 0 "[ . 1 . 2]" 1
320 1 75 LEU MD2 1 77 VAL MG1 3.500 . 3.800 2.895 2.436 3.784 . 0 0 "[ . 1 . 2]" 1
321 1 75 LEU H 1 75 LEU HB3 3.500 . 3.800 3.642 3.590 3.710 . 0 0 "[ . 1 . 2]" 1
322 1 75 LEU H 1 75 LEU HG 3.500 . 3.800 3.001 2.245 3.298 . 0 0 "[ . 1 . 2]" 1
323 1 76 GLN HA 1 76 GLN HG3 3.500 . 3.800 3.230 2.993 3.302 . 0 0 "[ . 1 . 2]" 1
324 1 76 GLN HB3 1 77 VAL H 3.500 . 3.800 3.800 3.646 3.829 0.029 12 0 "[ . 1 . 2]" 1
325 1 76 GLN H 1 76 GLN HB3 3.500 . 3.800 3.528 3.503 3.587 . 0 0 "[ . 1 . 2]" 1
326 1 76 GLN H 1 76 GLN HB2 3.500 . 3.800 2.256 2.207 2.509 . 0 0 "[ . 1 . 2]" 1
327 1 77 VAL MG1 1 79 GLU H 3.500 . 3.800 2.889 2.731 3.401 . 0 0 "[ . 1 . 2]" 1
328 1 77 VAL MG2 1 79 GLU QG 3.500 . 3.800 3.850 3.841 3.861 0.061 12 0 "[ . 1 . 2]" 1
329 1 78 GLY HA3 1 79 GLU H 3.500 . 3.800 3.522 3.487 3.538 . 0 0 "[ . 1 . 2]" 1
330 1 79 GLU HA 1 79 GLU HG3 3.500 . 3.800 3.273 3.165 3.555 . 0 0 "[ . 1 . 2]" 1
331 1 79 GLU HA 1 79 GLU HG2 3.500 . 3.800 2.279 2.172 3.848 0.048 18 0 "[ . 1 . 2]" 1
332 1 79 GLU HA 1 80 VAL MG2 3.500 . 3.800 3.573 3.485 3.737 . 0 0 "[ . 1 . 2]" 1
333 1 79 GLU HA 1 80 VAL H 3.500 . 3.800 2.546 2.530 2.590 . 0 0 "[ . 1 . 2]" 1
334 1 79 GLU HB2 1 80 VAL H 3.500 . 3.800 3.749 2.530 3.825 0.025 13 0 "[ . 1 . 2]" 1
335 1 79 GLU QG 1 80 VAL H 3.500 . 3.800 2.037 1.962 2.478 . 0 0 "[ . 1 . 2]" 1
336 1 79 GLU H 1 79 GLU HB3 3.500 . 3.800 2.932 2.814 2.971 . 0 0 "[ . 1 . 2]" 1
337 1 7 ALA HA 1 9 LYS H 3.500 . 3.800 3.250 3.057 3.792 . 0 0 "[ . 1 . 2]" 1
338 1 80 VAL HA 1 80 VAL MG1 3.500 . 3.800 2.280 2.198 2.362 . 0 0 "[ . 1 . 2]" 1
339 1 80 VAL HA 1 80 VAL MG2 3.500 . 3.800 2.410 2.346 2.485 . 0 0 "[ . 1 . 2]" 1
340 1 80 VAL HA 1 81 SER H 3.500 . 3.800 2.290 2.257 2.327 . 0 0 "[ . 1 . 2]" 1
341 1 80 VAL HA 1 94 LYS HA 3.500 . 3.800 2.645 2.422 2.912 . 0 0 "[ . 1 . 2]" 1
342 1 80 VAL MG1 1 81 SER H 3.500 . 3.800 2.006 1.873 2.151 . 0 0 "[ . 1 . 2]" 1
343 1 80 VAL MG1 1 92 VAL MG1 3.500 . 3.800 1.891 1.768 2.266 0.032 19 0 "[ . 1 . 2]" 1
344 1 80 VAL MG2 1 92 VAL MG1 3.500 . 3.800 3.228 3.021 3.568 . 0 0 "[ . 1 . 2]" 1
345 1 80 VAL MG2 1 94 LYS HB3 3.500 . 3.800 3.823 3.804 3.846 0.046 11 0 "[ . 1 . 2]" 1
346 1 80 VAL MG2 1 94 LYS QE 3.500 . 3.800 3.337 2.526 3.807 0.007 2 0 "[ . 1 . 2]" 1
347 1 81 SER HA 1 82 GLU H 3.500 . 3.800 2.345 2.257 2.384 . 0 0 "[ . 1 . 2]" 1
348 1 81 SER QB 1 82 GLU H 3.500 . 3.800 2.942 2.389 3.367 . 0 0 "[ . 1 . 2]" 1
349 1 81 SER H 1 81 SER QB 3.500 . 3.800 2.427 2.244 3.045 . 0 0 "[ . 1 . 2]" 1
350 1 81 SER H 1 92 VAL MG1 3.500 . 3.800 3.271 2.812 3.788 . 0 0 "[ . 1 . 2]" 1
351 1 81 SER H 1 93 ILE HB 3.500 . 3.800 3.610 3.321 3.824 0.024 2 0 "[ . 1 . 2]" 1
352 1 82 GLU HA 1 82 GLU HG3 3.500 . 3.800 2.597 2.348 3.523 . 0 0 "[ . 1 . 2]" 1
353 1 82 GLU HA 1 83 PRO HD3 3.500 . 3.800 2.504 2.446 2.573 . 0 0 "[ . 1 . 2]" 1
354 1 82 GLU HA 1 83 PRO HD2 3.500 . 3.800 2.320 2.197 2.582 . 0 0 "[ . 1 . 2]" 1
355 1 82 GLU HG3 1 83 PRO HD2 3.500 . 3.800 3.748 3.500 3.954 0.154 10 0 "[ . 1 . 2]" 1
356 1 82 GLU H 1 82 GLU HB3 3.500 . 3.800 3.447 2.337 3.583 . 0 0 "[ . 1 . 2]" 1
357 1 82 GLU H 1 82 GLU HB2 3.500 . 3.800 2.612 2.208 3.534 . 0 0 "[ . 1 . 2]" 1
358 1 82 GLU H 1 82 GLU HG2 3.500 . 3.800 3.650 2.776 3.814 0.014 12 0 "[ . 1 . 2]" 1
359 1 83 PRO HA 1 84 VAL H 3.500 . 3.800 2.191 2.172 2.207 . 0 0 "[ . 1 . 2]" 1
360 1 84 VAL HA 1 84 VAL MG1 3.500 . 3.800 2.402 2.345 2.433 . 0 0 "[ . 1 . 2]" 1
361 1 84 VAL HA 1 84 VAL MG2 3.500 . 3.800 2.329 2.271 2.395 . 0 0 "[ . 1 . 2]" 1
362 1 84 VAL HA 1 85 LYS H 3.500 . 3.800 2.177 2.146 2.195 . 0 0 "[ . 1 . 2]" 1
363 1 84 VAL HB 1 91 HIS H 3.500 . 3.800 3.718 3.617 3.764 . 0 0 "[ . 1 . 2]" 1
364 1 84 VAL MG2 1 93 ILE MD 3.500 . 3.800 2.752 2.422 3.048 . 0 0 "[ . 1 . 2]" 1
365 1 84 VAL H 1 84 VAL HB 3.500 . 3.800 2.537 2.504 2.573 . 0 0 "[ . 1 . 2]" 1
366 1 85 LYS HA 1 85 LYS QG 3.500 . 3.800 2.646 2.202 3.436 . 0 0 "[ . 1 . 2]" 1
367 1 85 LYS HA 1 90 TYR HA 3.500 . 3.800 1.962 1.795 2.234 0.005 17 0 "[ . 1 . 2]" 1
368 1 85 LYS H 1 85 LYS QB 3.500 . 3.800 2.330 2.257 2.598 . 0 0 "[ . 1 . 2]" 1
369 1 86 SER QB 1 89 GLY H 3.500 . 3.800 3.099 2.913 3.285 . 0 0 "[ . 1 . 2]" 1
370 1 86 SER H 1 91 HIS HD1 3.500 . 3.800 2.369 1.961 3.201 . 0 0 "[ . 1 . 2]" 1
371 1 87 GLU H 1 87 GLU QB 3.500 . 3.800 2.585 2.490 2.667 . 0 0 "[ . 1 . 2]" 1
372 1 88 PHE HA 1 88 PHE QD 3.500 . 3.800 2.812 2.297 3.024 . 0 0 "[ . 1 . 2]" 1
373 1 88 PHE HB3 1 89 GLY H 3.500 . 3.800 3.369 3.203 3.554 . 0 0 "[ . 1 . 2]" 1
374 1 88 PHE HB2 1 89 GLY H 3.500 . 3.800 3.034 2.830 3.396 . 0 0 "[ . 1 . 2]" 1
375 1 88 PHE H 1 88 PHE HB3 3.500 . 3.800 3.439 3.311 3.538 . 0 0 "[ . 1 . 2]" 1
376 1 88 PHE H 1 88 PHE HB2 3.500 . 3.800 2.190 2.129 2.255 . 0 0 "[ . 1 . 2]" 1
377 1 88 PHE H 1 88 PHE QD 3.500 . 3.800 3.154 2.673 3.653 . 0 0 "[ . 1 . 2]" 1
378 1 89 GLY HA2 1 90 TYR H 3.500 . 3.800 2.694 2.613 2.819 . 0 0 "[ . 1 . 2]" 1
379 1 8 ASP QB 1 9 LYS H 3.500 . 3.800 2.879 2.386 3.085 . 0 0 "[ . 1 . 2]" 1
380 1 90 TYR HA 1 91 HIS H 3.500 . 3.800 2.174 2.149 2.197 . 0 0 "[ . 1 . 2]" 1
381 1 91 HIS HB2 1 92 VAL H 3.500 . 3.800 3.604 3.486 3.805 0.005 20 0 "[ . 1 . 2]" 1
382 1 91 HIS H 1 91 HIS HB3 3.500 . 3.800 3.569 3.472 3.621 . 0 0 "[ . 1 . 2]" 1
383 1 91 HIS H 1 91 HIS HD1 3.500 . 3.800 2.455 1.967 3.438 . 0 0 "[ . 1 . 2]" 1
384 1 92 VAL HA 1 92 VAL MG2 3.500 . 3.800 2.429 2.367 2.528 . 0 0 "[ . 1 . 2]" 1
385 1 92 VAL H 1 92 VAL MG2 3.500 . 3.800 2.926 2.777 3.013 . 0 0 "[ . 1 . 2]" 1
386 1 93 ILE HA 1 93 ILE MG 3.500 . 3.800 2.031 1.935 2.189 . 0 0 "[ . 1 . 2]" 1
387 1 93 ILE MD 1 93 ILE MG 3.500 . 3.800 1.932 1.802 2.184 . 0 0 "[ . 1 . 2]" 1
388 1 93 ILE MG 1 94 LYS H 3.500 . 3.800 2.847 2.721 3.042 . 0 0 "[ . 1 . 2]" 1
389 1 94 LYS HA 1 95 ARG H 3.500 . 3.800 2.152 2.133 2.168 . 0 0 "[ . 1 . 2]" 1
390 1 94 LYS HD3 1 95 ARG H 3.500 . 3.800 3.200 2.184 3.810 0.010 8 0 "[ . 1 . 2]" 1
391 1 94 LYS HD2 1 95 ARG H 3.500 . 3.800 3.124 2.261 3.806 0.006 19 0 "[ . 1 . 2]" 1
392 1 94 LYS QD 1 95 ARG H 3.500 . 3.800 2.542 2.163 3.055 . 0 0 "[ . 1 . 2]" 1
393 1 95 ARG HA 1 96 LEU H 3.500 . 3.800 2.118 2.104 2.128 . 0 0 "[ . 1 . 2]" 1
394 1 95 ARG QG 1 96 LEU H 3.500 . 3.800 2.663 2.243 3.065 . 0 0 "[ . 1 . 2]" 1
395 1 95 ARG QG 1 97 GLY H 5.200 . 5.700 4.958 3.904 5.712 0.012 18 0 "[ . 1 . 2]" 1
396 1 95 ARG H 1 95 ARG HB3 3.500 . 3.800 2.987 2.461 3.288 . 0 0 "[ . 1 . 2]" 1
397 1 95 ARG H 1 95 ARG HB2 3.500 . 3.800 2.177 2.058 2.574 . 0 0 "[ . 1 . 2]" 1
398 1 96 LEU MD1 1 97 GLY HA3 3.500 . 3.800 3.870 3.859 3.888 0.088 19 0 "[ . 1 . 2]" 1
399 1 96 LEU MD1 1 97 GLY H 3.500 . 3.800 3.272 3.223 3.365 . 0 0 "[ . 1 . 2]" 1
400 1 96 LEU H 1 96 LEU HB2 3.500 . 3.800 3.939 3.918 3.959 0.159 7 0 "[ . 1 . 2]" 1
401 1 96 LEU H 1 96 LEU HG 3.500 . 3.800 3.107 2.941 3.177 . 0 0 "[ . 1 . 2]" 1
402 1 96 LEU H 1 97 GLY H 3.500 . 3.800 3.869 3.835 3.895 0.095 1 0 "[ . 1 . 2]" 1
403 1 9 LYS HB2 1 10 ILE H 3.500 . 3.800 3.395 2.353 3.807 0.007 11 0 "[ . 1 . 2]" 1
404 1 9 LYS HB2 1 59 PHE H 3.500 . 3.800 3.683 3.301 3.817 0.017 11 0 "[ . 1 . 2]" 1
405 1 9 LYS HG3 1 60 GLY H 3.500 . 3.800 3.260 2.546 3.816 0.016 9 0 "[ . 1 . 2]" 1
406 1 9 LYS QE 1 9 LYS HG2 3.500 . 3.800 2.851 1.962 3.315 . 0 0 "[ . 1 . 2]" 1
407 1 9 LYS H 1 9 LYS HB3 3.500 . 3.800 3.317 2.440 3.556 . 0 0 "[ . 1 . 2]" 1
408 1 9 LYS H 1 9 LYS HD3 3.500 . 3.800 3.059 1.884 3.755 . 0 0 "[ . 1 . 2]" 1
409 1 9 LYS H 1 9 LYS HG2 3.500 . 3.800 3.834 3.491 3.976 0.176 5 0 "[ . 1 . 2]" 1
410 1 10 ILE HA 1 10 ILE MD 4.500 . 5.000 3.820 2.130 4.055 . 0 0 "[ . 1 . 2]" 1
411 1 10 ILE HB 1 11 LYS HA 4.500 . 5.000 4.395 4.217 4.618 . 0 0 "[ . 1 . 2]" 1
412 1 10 ILE HB 1 12 CYS HB2 4.500 . 5.000 4.056 3.535 5.071 0.071 17 0 "[ . 1 . 2]" 1
413 1 10 ILE MD 1 11 LYS H 4.500 . 5.000 4.947 3.887 5.139 0.139 17 0 "[ . 1 . 2]" 1
414 1 10 ILE MD 1 72 ALA HA 4.500 . 5.000 3.825 3.148 4.969 . 0 0 "[ . 1 . 2]" 1
415 1 10 ILE MD 1 73 PHE HB3 4.500 . 5.000 1.890 1.820 2.008 . 0 0 "[ . 1 . 2]" 1
416 1 10 ILE MD 1 73 PHE HB2 4.500 . 5.000 3.302 3.188 3.465 . 0 0 "[ . 1 . 2]" 1
417 1 10 ILE MD 1 73 PHE QD 4.500 . 5.000 2.324 1.913 3.275 . 0 0 "[ . 1 . 2]" 1
418 1 10 ILE MD 1 73 PHE H 4.500 . 5.000 2.884 2.631 3.676 . 0 0 "[ . 1 . 2]" 1
419 1 10 ILE MD 1 74 ARG H 4.500 . 5.000 4.377 4.086 4.905 . 0 0 "[ . 1 . 2]" 1
420 1 10 ILE HG13 1 11 LYS H 4.500 . 5.000 5.021 4.729 5.085 0.085 9 0 "[ . 1 . 2]" 1
421 1 10 ILE HG12 1 11 LYS H 4.500 . 5.000 4.925 4.797 5.027 0.027 1 0 "[ . 1 . 2]" 1
422 1 10 ILE MG 1 11 LYS H 4.500 . 5.000 2.370 1.905 2.725 . 0 0 "[ . 1 . 2]" 1
423 1 10 ILE MG 1 12 CYS H 4.500 . 5.000 4.201 3.440 4.881 . 0 0 "[ . 1 . 2]" 1
424 1 10 ILE MG 1 73 PHE HA 4.500 . 5.000 2.655 2.228 3.136 . 0 0 "[ . 1 . 2]" 1
425 1 10 ILE MG 1 74 ARG H 4.500 . 5.000 4.729 4.324 4.961 . 0 0 "[ . 1 . 2]" 1
426 1 10 ILE MG 1 76 GLN HG3 4.500 . 5.000 4.798 4.207 5.025 0.025 10 0 "[ . 1 . 2]" 1
427 1 10 ILE H 1 10 ILE MD 4.500 . 5.000 3.479 2.650 3.780 . 0 0 "[ . 1 . 2]" 1
428 1 10 ILE H 1 10 ILE HG13 4.500 . 5.000 2.278 1.952 3.748 . 0 0 "[ . 1 . 2]" 1
429 1 10 ILE H 1 10 ILE HG12 4.500 . 5.000 3.187 2.116 3.959 . 0 0 "[ . 1 . 2]" 1
430 1 10 ILE H 1 10 ILE MG 4.500 . 5.000 3.867 3.804 3.903 . 0 0 "[ . 1 . 2]" 1
431 1 10 ILE H 1 11 LYS HG3 4.500 . 5.000 4.509 4.323 4.630 . 0 0 "[ . 1 . 2]" 1
432 1 10 ILE H 1 11 LYS H 4.500 . 5.000 4.390 4.319 4.464 . 0 0 "[ . 1 . 2]" 1
433 1 10 ILE H 1 58 TYR HB2 4.500 . 5.000 5.028 4.950 5.079 0.079 4 0 "[ . 1 . 2]" 1
434 1 10 ILE H 1 60 GLY HA3 4.500 . 5.000 4.845 4.331 5.053 0.053 2 0 "[ . 1 . 2]" 1
435 1 10 ILE H 1 60 GLY H 4.500 . 5.000 4.619 4.414 4.716 . 0 0 "[ . 1 . 2]" 1
436 1 11 LYS HA 1 58 TYR HA 4.500 . 5.000 2.739 2.143 2.981 . 0 0 "[ . 1 . 2]" 1
437 1 11 LYS HB2 1 11 LYS QE 4.500 . 5.000 3.010 2.794 3.158 . 0 0 "[ . 1 . 2]" 1
438 1 11 LYS HB2 1 58 TYR HA 4.500 . 5.000 4.663 3.930 4.954 . 0 0 "[ . 1 . 2]" 1
439 1 11 LYS HB2 1 97 GLY HA3 4.500 . 5.000 2.003 1.949 2.135 . 0 0 "[ . 1 . 2]" 1
440 1 11 LYS HB2 1 97 GLY HA2 4.500 . 5.000 2.923 2.716 3.263 . 0 0 "[ . 1 . 2]" 1
441 1 11 LYS HG3 1 58 TYR HA 4.500 . 5.000 2.545 2.094 2.892 . 0 0 "[ . 1 . 2]" 1
442 1 11 LYS HG3 1 58 TYR H 4.500 . 5.000 4.241 3.815 4.723 . 0 0 "[ . 1 . 2]" 1
443 1 11 LYS H 1 12 CYS H 4.500 . 5.000 3.936 3.499 4.092 . 0 0 "[ . 1 . 2]" 1
444 1 11 LYS H 1 58 TYR HA 4.500 . 5.000 3.969 3.682 4.149 . 0 0 "[ . 1 . 2]" 1
445 1 12 CYS HA 1 93 ILE MG 4.500 . 5.000 4.463 4.290 4.639 . 0 0 "[ . 1 . 2]" 1
446 1 12 CYS HA 1 95 ARG HA 4.500 . 5.000 1.866 1.773 2.066 0.027 18 0 "[ . 1 . 2]" 1
447 1 12 CYS HA 1 96 LEU MD1 4.500 . 5.000 4.796 4.644 4.961 . 0 0 "[ . 1 . 2]" 1
448 1 12 CYS HA 1 96 LEU HG 4.500 . 5.000 3.413 3.179 3.633 . 0 0 "[ . 1 . 2]" 1
449 1 12 CYS HA 1 97 GLY H 5.200 . 5.700 5.677 5.522 5.753 0.053 16 0 "[ . 1 . 2]" 1
450 1 12 CYS HB3 1 56 LEU MD1 4.500 . 5.000 3.540 2.229 4.624 . 0 0 "[ . 1 . 2]" 1
451 1 12 CYS HB3 1 95 ARG HA 4.500 . 5.000 3.240 2.167 4.027 . 0 0 "[ . 1 . 2]" 1
452 1 12 CYS HB2 1 93 ILE MG 4.500 . 5.000 2.940 2.276 3.570 . 0 0 "[ . 1 . 2]" 1
453 1 12 CYS HB2 1 95 ARG H 4.500 . 5.000 4.977 3.986 5.110 0.110 5 0 "[ . 1 . 2]" 1
454 1 12 CYS HB2 1 96 LEU H 4.500 . 5.000 4.296 3.922 4.770 . 0 0 "[ . 1 . 2]" 1
455 1 12 CYS H 1 13 SER H 4.500 . 5.000 4.408 4.382 4.435 . 0 0 "[ . 1 . 2]" 1
456 1 12 CYS H 1 56 LEU MD1 4.500 . 5.000 4.138 3.503 4.447 . 0 0 "[ . 1 . 2]" 1
457 1 12 CYS H 1 56 LEU H 4.500 . 5.000 4.697 4.477 5.041 0.041 12 0 "[ . 1 . 2]" 1
458 1 12 CYS H 1 93 ILE MG 4.500 . 5.000 4.977 4.553 5.066 0.066 18 0 "[ . 1 . 2]" 1
459 1 12 CYS H 1 95 ARG HA 4.500 . 5.000 4.391 4.174 4.639 . 0 0 "[ . 1 . 2]" 1
460 1 13 SER HA 1 55 SER H 4.500 . 5.000 5.016 4.966 5.064 0.064 19 0 "[ . 1 . 2]" 1
461 1 13 SER HA 1 56 LEU MD1 4.500 . 5.000 3.411 2.975 3.903 . 0 0 "[ . 1 . 2]" 1
462 1 13 SER HA 1 56 LEU H 4.500 . 5.000 1.997 1.832 2.141 . 0 0 "[ . 1 . 2]" 1
463 1 13 SER QB 1 14 HIS H 4.500 . 5.000 3.007 2.435 3.346 . 0 0 "[ . 1 . 2]" 1
464 1 13 SER QB 1 56 LEU H 4.500 . 5.000 3.482 2.816 3.942 . 0 0 "[ . 1 . 2]" 1
465 1 13 SER H 1 14 HIS H 4.500 . 5.000 4.482 4.451 4.526 . 0 0 "[ . 1 . 2]" 1
466 1 13 SER H 1 95 ARG H 4.500 . 5.000 4.370 4.176 4.847 . 0 0 "[ . 1 . 2]" 1
467 1 13 SER H 1 96 LEU H 4.500 . 5.000 4.178 4.056 4.304 . 0 0 "[ . 1 . 2]" 1
468 1 14 HIS HA 1 15 ILE MD 4.500 . 5.000 2.964 2.871 3.028 . 0 0 "[ . 1 . 2]" 1
469 1 14 HIS HA 1 56 LEU MD1 4.500 . 5.000 3.611 3.156 4.255 . 0 0 "[ . 1 . 2]" 1
470 1 14 HIS HA 1 92 VAL HB 4.500 . 5.000 4.063 3.625 4.639 . 0 0 "[ . 1 . 2]" 1
471 1 14 HIS HA 1 93 ILE HA 4.500 . 5.000 3.024 2.759 3.467 . 0 0 "[ . 1 . 2]" 1
472 1 14 HIS HA 1 93 ILE MG 4.500 . 5.000 3.778 2.898 4.220 . 0 0 "[ . 1 . 2]" 1
473 1 14 HIS QB 1 15 ILE MD 4.500 . 5.000 4.146 4.029 4.224 . 0 0 "[ . 1 . 2]" 1
474 1 14 HIS QB 1 56 LEU MD1 4.500 . 5.000 1.984 1.860 2.428 . 0 0 "[ . 1 . 2]" 1
475 1 14 HIS QB 1 56 LEU MD2 4.500 . 5.000 2.654 1.790 3.959 0.010 2 0 "[ . 1 . 2]" 1
476 1 14 HIS QB 1 92 VAL H 4.500 . 5.000 3.813 2.851 5.017 0.017 12 0 "[ . 1 . 2]" 1
477 1 14 HIS QB 1 93 ILE HA 4.500 . 5.000 4.114 3.273 4.819 . 0 0 "[ . 1 . 2]" 1
478 1 14 HIS QB 1 93 ILE MG 4.500 . 5.000 3.717 2.802 4.568 . 0 0 "[ . 1 . 2]" 1
479 1 14 HIS HD1 1 56 LEU MD2 4.500 . 5.000 3.047 1.927 5.002 0.002 12 0 "[ . 1 . 2]" 1
480 1 14 HIS H 1 14 HIS HD1 4.500 . 5.000 3.064 1.922 5.018 0.018 16 0 "[ . 1 . 2]" 1
481 1 14 HIS H 1 15 ILE MD 4.500 . 5.000 3.161 2.806 3.448 . 0 0 "[ . 1 . 2]" 1
482 1 14 HIS H 1 15 ILE H 4.500 . 5.000 4.426 4.365 4.461 . 0 0 "[ . 1 . 2]" 1
483 1 14 HIS H 1 54 GLY HA3 4.500 . 5.000 3.004 2.664 3.270 . 0 0 "[ . 1 . 2]" 1
484 1 14 HIS H 1 54 GLY HA2 4.500 . 5.000 3.627 3.334 3.958 . 0 0 "[ . 1 . 2]" 1
485 1 14 HIS H 1 55 SER HA 4.500 . 5.000 4.571 3.946 4.917 . 0 0 "[ . 1 . 2]" 1
486 1 14 HIS H 1 56 LEU MD1 4.500 . 5.000 3.716 3.509 3.969 . 0 0 "[ . 1 . 2]" 1
487 1 14 HIS H 1 56 LEU MD2 4.500 . 5.000 3.595 3.042 4.049 . 0 0 "[ . 1 . 2]" 1
488 1 14 HIS H 1 56 LEU H 4.500 . 5.000 3.636 3.277 3.887 . 0 0 "[ . 1 . 2]" 1
489 1 15 ILE HA 1 15 ILE MD 4.500 . 5.000 3.174 2.684 3.295 . 0 0 "[ . 1 . 2]" 1
490 1 15 ILE HA 1 44 SER HA 4.500 . 5.000 4.053 3.438 4.483 . 0 0 "[ . 1 . 2]" 1
491 1 15 ILE HA 1 44 SER HB2 4.500 . 5.000 3.799 2.894 4.155 . 0 0 "[ . 1 . 2]" 1
492 1 15 ILE HA 1 46 ASP H 4.500 . 5.000 4.673 4.410 5.014 0.014 8 0 "[ . 1 . 2]" 1
493 1 15 ILE HB 1 30 LEU MD2 4.500 . 5.000 4.971 4.747 5.023 0.023 4 0 "[ . 1 . 2]" 1
494 1 15 ILE HB 1 92 VAL HB 4.500 . 5.000 2.204 1.933 2.644 . 0 0 "[ . 1 . 2]" 1
495 1 15 ILE HB 1 92 VAL H 4.500 . 5.000 4.272 3.791 4.571 . 0 0 "[ . 1 . 2]" 1
496 1 15 ILE MD 1 30 LEU MD2 4.500 . 5.000 3.000 2.595 3.671 . 0 0 "[ . 1 . 2]" 1
497 1 15 ILE MD 1 30 LEU HG 4.500 . 5.000 4.294 3.871 5.031 0.031 1 0 "[ . 1 . 2]" 1
498 1 15 ILE MD 1 36 PHE HA 4.500 . 5.000 3.183 2.860 3.684 . 0 0 "[ . 1 . 2]" 1
499 1 15 ILE MD 1 36 PHE HB3 4.500 . 5.000 3.374 2.565 4.201 . 0 0 "[ . 1 . 2]" 1
500 1 15 ILE MD 1 39 LEU HB3 4.500 . 5.000 3.807 3.496 4.043 . 0 0 "[ . 1 . 2]" 1
501 1 15 ILE MD 1 40 ALA H 4.500 . 5.000 4.052 3.269 4.279 . 0 0 "[ . 1 . 2]" 1
502 1 15 ILE MD 1 92 VAL HB 4.500 . 5.000 3.241 3.046 3.644 . 0 0 "[ . 1 . 2]" 1
503 1 15 ILE MD 1 92 VAL H 4.500 . 5.000 4.783 4.426 5.010 0.010 19 0 "[ . 1 . 2]" 1
504 1 15 ILE MD 1 94 LYS H 4.500 . 5.000 4.258 3.879 4.921 . 0 0 "[ . 1 . 2]" 1
505 1 15 ILE HG13 1 40 ALA HA 4.500 . 5.000 2.879 2.231 3.074 . 0 0 "[ . 1 . 2]" 1
506 1 15 ILE HG13 1 40 ALA MB 4.500 . 5.000 3.512 3.320 3.694 . 0 0 "[ . 1 . 2]" 1
507 1 15 ILE HG13 1 40 ALA H 4.500 . 5.000 3.960 3.672 4.083 . 0 0 "[ . 1 . 2]" 1
508 1 15 ILE HG12 1 40 ALA HA 4.500 . 5.000 3.686 3.494 4.032 . 0 0 "[ . 1 . 2]" 1
509 1 15 ILE HG12 1 44 SER HB3 4.500 . 5.000 5.018 4.897 5.052 0.052 18 0 "[ . 1 . 2]" 1
510 1 15 ILE MG 1 17 VAL H 4.500 . 5.000 4.237 3.947 4.483 . 0 0 "[ . 1 . 2]" 1
511 1 15 ILE MG 1 40 ALA HA 4.500 . 5.000 3.793 3.335 4.114 . 0 0 "[ . 1 . 2]" 1
512 1 15 ILE MG 1 40 ALA MB 4.500 . 5.000 4.730 4.407 4.932 . 0 0 "[ . 1 . 2]" 1
513 1 15 ILE MG 1 43 LEU H 4.500 . 5.000 4.283 3.755 4.793 . 0 0 "[ . 1 . 2]" 1
514 1 15 ILE MG 1 44 SER HA 4.500 . 5.000 2.473 2.017 2.742 . 0 0 "[ . 1 . 2]" 1
515 1 15 ILE MG 1 44 SER H 4.500 . 5.000 3.429 2.918 3.835 . 0 0 "[ . 1 . 2]" 1
516 1 15 ILE MG 1 45 ILE H 4.500 . 5.000 3.977 3.602 4.181 . 0 0 "[ . 1 . 2]" 1
517 1 15 ILE H 1 15 ILE MG 4.500 . 5.000 3.834 3.618 3.920 . 0 0 "[ . 1 . 2]" 1
518 1 15 ILE H 1 16 LEU HA 4.500 . 5.000 4.571 4.449 4.810 . 0 0 "[ . 1 . 2]" 1
519 1 15 ILE H 1 91 HIS HA 4.500 . 5.000 4.081 3.846 4.465 . 0 0 "[ . 1 . 2]" 1
520 1 15 ILE H 1 92 VAL HA 4.500 . 5.000 4.716 4.477 4.941 . 0 0 "[ . 1 . 2]" 1
521 1 16 LEU HA 1 46 ASP H 4.500 . 5.000 4.913 4.507 5.048 0.048 18 0 "[ . 1 . 2]" 1
522 1 16 LEU HA 1 91 HIS HA 4.500 . 5.000 2.674 2.403 2.906 . 0 0 "[ . 1 . 2]" 1
523 1 16 LEU HA 1 92 VAL H 4.500 . 5.000 4.254 4.026 4.591 . 0 0 "[ . 1 . 2]" 1
524 1 16 LEU HB3 1 46 ASP HB3 4.500 . 5.000 3.832 2.464 5.040 0.040 4 0 "[ . 1 . 2]" 1
525 1 16 LEU HB3 1 46 ASP HB2 4.500 . 5.000 4.154 3.168 5.022 0.022 17 0 "[ . 1 . 2]" 1
526 1 16 LEU HB2 1 17 VAL H 4.500 . 5.000 4.354 4.232 4.449 . 0 0 "[ . 1 . 2]" 1
527 1 16 LEU HB2 1 44 SER HA 4.500 . 5.000 4.725 4.064 5.045 0.045 13 0 "[ . 1 . 2]" 1
528 1 16 LEU MD1 1 45 ILE MD 4.500 . 5.000 3.331 2.829 4.115 . 0 0 "[ . 1 . 2]" 1
529 1 16 LEU MD1 1 88 PHE HB3 4.500 . 5.000 2.610 1.872 3.588 . 0 0 "[ . 1 . 2]" 1
530 1 16 LEU MD1 1 89 GLY H 4.500 . 5.000 3.577 2.979 4.374 . 0 0 "[ . 1 . 2]" 1
531 1 16 LEU MD2 1 45 ILE MD 4.500 . 5.000 2.867 1.900 4.888 . 0 0 "[ . 1 . 2]" 1
532 1 16 LEU MD2 1 88 PHE HB3 4.500 . 5.000 2.972 1.911 4.047 . 0 0 "[ . 1 . 2]" 1
533 1 16 LEU MD2 1 89 GLY H 4.500 . 5.000 3.658 2.753 5.018 0.018 10 0 "[ . 1 . 2]" 1
534 1 16 LEU HG 1 17 VAL H 4.500 . 5.000 3.914 2.891 4.882 . 0 0 "[ . 1 . 2]" 1
535 1 16 LEU HG 1 90 TYR H 4.500 . 5.000 4.709 3.316 5.037 0.037 15 0 "[ . 1 . 2]" 1
536 1 16 LEU H 1 17 VAL H 4.500 . 5.000 4.442 4.330 4.535 . 0 0 "[ . 1 . 2]" 1
537 1 16 LEU H 1 44 SER HA 4.500 . 5.000 2.952 2.338 3.575 . 0 0 "[ . 1 . 2]" 1
538 1 16 LEU H 1 44 SER HB3 4.500 . 5.000 3.576 3.161 4.064 . 0 0 "[ . 1 . 2]" 1
539 1 16 LEU H 1 46 ASP HB3 4.500 . 5.000 3.645 2.733 4.892 . 0 0 "[ . 1 . 2]" 1
540 1 16 LEU H 1 91 HIS HA 4.500 . 5.000 4.884 4.702 5.042 0.042 1 0 "[ . 1 . 2]" 1
541 1 16 LEU QD 1 17 VAL MG2 4.500 . 5.000 4.025 3.600 4.588 . 0 0 "[ . 1 . 2]" 1
542 1 16 LEU QD 1 45 ILE H 4.500 . 5.000 4.249 3.947 4.496 . 0 0 "[ . 1 . 2]" 1
543 1 16 LEU QD 1 46 ASP HB3 4.500 . 5.000 3.401 1.792 4.349 0.008 2 0 "[ . 1 . 2]" 1
544 1 16 LEU QD 1 46 ASP H 4.500 . 5.000 3.769 3.016 4.193 . 0 0 "[ . 1 . 2]" 1
545 1 16 LEU QD 1 88 PHE HA 4.500 . 5.000 4.062 3.573 4.916 . 0 0 "[ . 1 . 2]" 1
546 1 16 LEU QD 1 88 PHE HB3 4.500 . 5.000 2.258 1.865 3.306 . 0 0 "[ . 1 . 2]" 1
547 1 16 LEU QD 1 89 GLY HA3 4.500 . 5.000 2.124 1.847 2.725 . 0 0 "[ . 1 . 2]" 1
548 1 16 LEU QD 1 89 GLY H 4.500 . 5.000 3.020 2.687 3.420 . 0 0 "[ . 1 . 2]" 1
549 1 16 LEU QD 1 90 TYR HA 4.500 . 5.000 3.550 3.322 3.860 . 0 0 "[ . 1 . 2]" 1
550 1 16 LEU QD 1 90 TYR H 4.500 . 5.000 2.643 2.293 3.195 . 0 0 "[ . 1 . 2]" 1
551 1 16 LEU QD 1 91 HIS HA 4.500 . 5.000 2.456 1.785 3.161 0.015 4 0 "[ . 1 . 2]" 1
552 1 16 LEU QD 1 91 HIS H 4.500 . 5.000 3.149 2.717 3.668 . 0 0 "[ . 1 . 2]" 1
553 1 17 VAL HA 1 19 LYS H 4.500 . 5.000 3.931 3.547 4.070 . 0 0 "[ . 1 . 2]" 1
554 1 17 VAL HA 1 45 ILE MD 4.500 . 5.000 3.048 2.970 3.105 . 0 0 "[ . 1 . 2]" 1
555 1 17 VAL HA 1 45 ILE HG13 4.500 . 5.000 3.707 3.056 4.808 . 0 0 "[ . 1 . 2]" 1
556 1 17 VAL HA 1 45 ILE MG 4.500 . 5.000 2.780 1.977 3.505 . 0 0 "[ . 1 . 2]" 1
557 1 17 VAL HA 1 45 ILE H 4.500 . 5.000 3.561 3.290 3.783 . 0 0 "[ . 1 . 2]" 1
558 1 17 VAL HB 1 45 ILE MD 4.500 . 5.000 5.028 5.010 5.052 0.052 2 0 "[ . 1 . 2]" 1
559 1 17 VAL MG1 1 18 LYS H 4.500 . 5.000 3.984 3.810 4.086 . 0 0 "[ . 1 . 2]" 1
560 1 17 VAL MG1 1 22 GLU HB2 4.500 . 5.000 4.440 4.005 4.819 . 0 0 "[ . 1 . 2]" 1
561 1 17 VAL MG1 1 43 LEU HA 4.500 . 5.000 4.001 3.392 4.545 . 0 0 "[ . 1 . 2]" 1
562 1 17 VAL MG1 1 43 LEU HB3 4.500 . 5.000 3.719 3.152 4.323 . 0 0 "[ . 1 . 2]" 1
563 1 17 VAL MG1 1 44 SER HA 4.500 . 5.000 2.369 2.055 2.709 . 0 0 "[ . 1 . 2]" 1
564 1 17 VAL MG1 1 44 SER HB3 4.500 . 5.000 4.805 4.535 5.103 0.103 8 0 "[ . 1 . 2]" 1
565 1 17 VAL MG1 1 44 SER H 4.500 . 5.000 3.864 3.588 4.169 . 0 0 "[ . 1 . 2]" 1
566 1 17 VAL MG1 1 45 ILE H 4.500 . 5.000 3.132 2.823 3.438 . 0 0 "[ . 1 . 2]" 1
567 1 17 VAL MG2 1 18 LYS HA 4.500 . 5.000 4.347 4.211 4.537 . 0 0 "[ . 1 . 2]" 1
568 1 17 VAL MG2 1 18 LYS H 4.500 . 5.000 3.858 3.742 4.020 . 0 0 "[ . 1 . 2]" 1
569 1 17 VAL MG2 1 19 LYS HG2 4.500 . 5.000 4.218 3.082 5.046 0.046 3 0 "[ . 1 . 2]" 1
570 1 17 VAL MG2 1 22 GLU HA 4.500 . 5.000 4.792 4.704 4.866 . 0 0 "[ . 1 . 2]" 1
571 1 17 VAL MG2 1 22 GLU HB3 4.500 . 5.000 3.877 3.488 4.191 . 0 0 "[ . 1 . 2]" 1
572 1 17 VAL MG2 1 22 GLU H 4.500 . 5.000 3.821 3.607 3.997 . 0 0 "[ . 1 . 2]" 1
573 1 17 VAL MG2 1 90 TYR HB2 4.500 . 5.000 3.351 2.744 3.748 . 0 0 "[ . 1 . 2]" 1
574 1 17 VAL MG2 1 90 TYR QD 4.500 . 5.000 4.047 3.313 4.522 . 0 0 "[ . 1 . 2]" 1
575 1 17 VAL MG2 1 90 TYR H 4.500 . 5.000 4.410 4.180 4.632 . 0 0 "[ . 1 . 2]" 1
576 1 17 VAL H 1 17 VAL MG1 4.500 . 5.000 3.133 2.902 3.336 . 0 0 "[ . 1 . 2]" 1
577 1 17 VAL H 1 18 LYS H 4.500 . 5.000 4.242 4.196 4.278 . 0 0 "[ . 1 . 2]" 1
578 1 18 LYS HA 1 18 LYS QD 4.500 . 5.000 3.598 2.725 4.127 . 0 0 "[ . 1 . 2]" 1
579 1 18 LYS HA 1 45 ILE MD 4.500 . 5.000 3.783 3.540 4.197 . 0 0 "[ . 1 . 2]" 1
580 1 18 LYS HA 1 90 TYR HB3 4.500 . 5.000 5.061 5.033 5.127 0.127 7 0 "[ . 1 . 2]" 1
581 1 18 LYS HB2 1 19 LYS H 4.500 . 5.000 3.119 2.731 3.686 . 0 0 "[ . 1 . 2]" 1
582 1 18 LYS QD 1 45 ILE MG 4.500 . 5.000 3.071 1.967 4.874 . 0 0 "[ . 1 . 2]" 1
583 1 18 LYS QE 1 45 ILE MG 4.500 . 5.000 3.620 2.026 5.000 . 2 0 "[ . 1 . 2]" 1
584 1 18 LYS QG 1 45 ILE MD 4.500 . 5.000 2.936 1.915 4.214 . 0 0 "[ . 1 . 2]" 1
585 1 18 LYS H 1 18 LYS HD3 4.500 . 5.000 3.616 1.995 4.866 . 0 0 "[ . 1 . 2]" 1
586 1 18 LYS H 1 18 LYS HD2 4.500 . 5.000 3.320 2.092 4.872 . 0 0 "[ . 1 . 2]" 1
587 1 18 LYS H 1 18 LYS HG3 4.500 . 5.000 3.270 2.157 4.077 . 0 0 "[ . 1 . 2]" 1
588 1 18 LYS H 1 18 LYS HG2 4.500 . 5.000 3.791 1.992 4.510 . 0 0 "[ . 1 . 2]" 1
589 1 18 LYS H 1 45 ILE MG 4.500 . 5.000 3.189 2.470 3.656 . 0 0 "[ . 1 . 2]" 1
590 1 19 LYS HA 1 19 LYS QD 4.500 . 5.000 3.741 1.911 4.291 . 0 0 "[ . 1 . 2]" 1
591 1 19 LYS HB3 1 22 GLU H 4.500 . 5.000 4.070 2.682 4.844 . 0 0 "[ . 1 . 2]" 1
592 1 19 LYS HB2 1 19 LYS QE 4.500 . 5.000 3.759 2.607 4.362 . 0 0 "[ . 1 . 2]" 1
593 1 19 LYS HB2 1 20 GLN H 4.500 . 5.000 4.361 4.133 4.644 . 0 0 "[ . 1 . 2]" 1
594 1 19 LYS HB2 1 22 GLU H 4.500 . 5.000 3.841 2.916 4.599 . 0 0 "[ . 1 . 2]" 1
595 1 1 GLY QA 1 2 PRO QG 4.500 . 5.000 3.801 3.681 4.026 . 0 0 "[ . 1 . 2]" 1
596 1 20 GLN HA 1 21 GLY HA3 5.200 . 5.700 5.293 5.269 5.343 . 0 0 "[ . 1 . 2]" 1
597 1 20 GLN HA 1 22 GLU H 4.500 . 5.000 4.021 3.889 4.287 . 0 0 "[ . 1 . 2]" 1
598 1 20 GLN HA 1 23 ALA H 4.500 . 5.000 3.197 2.961 3.655 . 0 0 "[ . 1 . 2]" 1
599 1 20 GLN H 1 22 GLU H 4.500 . 5.000 4.394 4.297 4.457 . 0 0 "[ . 1 . 2]" 1
600 1 21 GLY HA3 1 24 LEU HB2 4.500 . 5.000 4.988 4.850 5.040 0.040 20 0 "[ . 1 . 2]" 1
601 1 21 GLY HA3 1 24 LEU H 4.500 . 5.000 4.759 4.691 4.884 . 0 0 "[ . 1 . 2]" 1
602 1 21 GLY HA2 1 24 LEU H 4.500 . 5.000 3.593 3.519 3.725 . 0 0 "[ . 1 . 2]" 1
603 1 22 GLU HA 1 26 VAL MG1 4.500 . 5.000 3.549 3.419 3.815 . 0 0 "[ . 1 . 2]" 1
604 1 22 GLU HB3 1 26 VAL MG1 4.500 . 5.000 4.217 3.971 4.572 . 0 0 "[ . 1 . 2]" 1
605 1 22 GLU HB2 1 25 ALA MB 4.500 . 5.000 3.684 3.477 3.831 . 0 0 "[ . 1 . 2]" 1
606 1 22 GLU HG3 1 23 ALA H 4.500 . 5.000 1.823 1.776 1.871 0.024 15 0 "[ . 1 . 2]" 1
607 1 22 GLU HG3 1 25 ALA MB 4.500 . 5.000 5.015 4.929 5.031 0.031 14 0 "[ . 1 . 2]" 1
608 1 22 GLU H 1 23 ALA MB 4.500 . 5.000 4.114 3.993 4.224 . 0 0 "[ . 1 . 2]" 1
609 1 22 GLU H 1 24 LEU H 4.500 . 5.000 4.078 3.973 4.315 . 0 0 "[ . 1 . 2]" 1
610 1 22 GLU H 1 25 ALA MB 4.500 . 5.000 4.700 4.540 4.823 . 0 0 "[ . 1 . 2]" 1
611 1 22 GLU H 1 25 ALA H 4.500 . 5.000 4.754 4.680 4.844 . 0 0 "[ . 1 . 2]" 1
612 1 23 ALA HA 1 25 ALA H 4.500 . 5.000 4.259 4.167 4.697 . 0 0 "[ . 1 . 2]" 1
613 1 23 ALA HA 1 26 VAL MG2 4.500 . 5.000 2.243 2.037 2.442 . 0 0 "[ . 1 . 2]" 1
614 1 23 ALA HA 1 26 VAL H 4.500 . 5.000 3.676 3.527 4.040 . 0 0 "[ . 1 . 2]" 1
615 1 23 ALA MB 1 24 LEU HA 4.500 . 5.000 3.882 3.775 3.920 . 0 0 "[ . 1 . 2]" 1
616 1 23 ALA MB 1 24 LEU H 4.500 . 5.000 2.640 2.548 2.731 . 0 0 "[ . 1 . 2]" 1
617 1 23 ALA MB 1 25 ALA H 4.500 . 5.000 4.435 4.360 4.582 . 0 0 "[ . 1 . 2]" 1
618 1 23 ALA MB 1 83 PRO HA 4.500 . 5.000 3.159 2.692 3.533 . 0 0 "[ . 1 . 2]" 1
619 1 23 ALA MB 1 90 TYR HA 4.500 . 5.000 4.439 4.303 4.627 . 0 0 "[ . 1 . 2]" 1
620 1 23 ALA MB 1 90 TYR HB2 4.500 . 5.000 3.578 3.009 3.795 . 0 0 "[ . 1 . 2]" 1
621 1 23 ALA MB 1 90 TYR QD 4.500 . 5.000 2.290 1.756 3.924 0.044 1 0 "[ . 1 . 2]" 1
622 1 23 ALA MB 1 90 TYR H 4.500 . 5.000 5.095 5.063 5.142 0.142 7 0 "[ . 1 . 2]" 1
623 1 23 ALA H 1 25 ALA MB 4.500 . 5.000 4.775 4.650 4.881 . 0 0 "[ . 1 . 2]" 1
624 1 23 ALA H 1 26 VAL MG1 4.500 . 5.000 3.792 3.574 4.392 . 0 0 "[ . 1 . 2]" 1
625 1 23 ALA H 1 26 VAL H 4.500 . 5.000 4.666 4.597 4.919 . 0 0 "[ . 1 . 2]" 1
626 1 24 LEU HA 1 24 LEU MD1 4.500 . 5.000 2.566 2.267 2.855 . 0 0 "[ . 1 . 2]" 1
627 1 24 LEU HA 1 27 GLN HG2 4.500 . 5.000 2.994 2.105 3.436 . 0 0 "[ . 1 . 2]" 1
628 1 24 LEU HA 1 27 GLN H 4.500 . 5.000 3.973 3.392 4.083 . 0 0 "[ . 1 . 2]" 1
629 1 24 LEU HB3 1 25 ALA H 4.500 . 5.000 2.909 2.609 3.064 . 0 0 "[ . 1 . 2]" 1
630 1 24 LEU HB2 1 25 ALA MB 4.500 . 5.000 4.951 4.746 5.025 0.025 8 0 "[ . 1 . 2]" 1
631 1 24 LEU MD1 1 25 ALA HA 4.500 . 5.000 3.585 3.203 4.091 . 0 0 "[ . 1 . 2]" 1
632 1 24 LEU MD1 1 25 ALA H 4.500 . 5.000 3.928 3.601 4.185 . 0 0 "[ . 1 . 2]" 1
633 1 24 LEU MD1 1 27 GLN HB3 4.500 . 5.000 4.623 3.681 4.988 . 0 0 "[ . 1 . 2]" 1
634 1 24 LEU MD1 1 83 PRO HD2 4.500 . 5.000 4.902 4.466 5.015 0.015 15 0 "[ . 1 . 2]" 1
635 1 24 LEU MD2 1 27 GLN HB3 4.500 . 5.000 4.589 4.263 4.823 . 0 0 "[ . 1 . 2]" 1
636 1 24 LEU MD2 1 27 GLN HE21 4.500 . 5.000 3.357 2.802 4.467 . 0 0 "[ . 1 . 2]" 1
637 1 24 LEU MD2 1 27 GLN HG2 4.500 . 5.000 3.836 3.167 4.223 . 0 0 "[ . 1 . 2]" 1
638 1 24 LEU MD2 1 83 PRO HD3 4.500 . 5.000 2.079 1.837 2.426 . 0 0 "[ . 1 . 2]" 1
639 1 24 LEU MD2 1 83 PRO HD2 4.500 . 5.000 2.931 2.299 3.389 . 0 0 "[ . 1 . 2]" 1
640 1 24 LEU MD2 1 83 PRO HG2 4.500 . 5.000 3.189 2.893 3.532 . 0 0 "[ . 1 . 2]" 1
641 1 24 LEU H 1 24 LEU MD1 4.500 . 5.000 4.262 4.201 4.311 . 0 0 "[ . 1 . 2]" 1
642 1 24 LEU H 1 24 LEU MD2 4.500 . 5.000 3.560 3.215 3.861 . 0 0 "[ . 1 . 2]" 1
643 1 24 LEU H 1 25 ALA MB 4.500 . 5.000 4.143 4.109 4.173 . 0 0 "[ . 1 . 2]" 1
644 1 25 ALA HA 1 27 GLN H 4.500 . 5.000 4.168 4.024 4.473 . 0 0 "[ . 1 . 2]" 1
645 1 25 ALA HA 1 28 GLU HG2 4.500 . 5.000 3.314 1.963 5.020 0.020 1 0 "[ . 1 . 2]" 1
646 1 25 ALA HA 1 28 GLU H 4.500 . 5.000 3.529 3.336 3.858 . 0 0 "[ . 1 . 2]" 1
647 1 25 ALA MB 1 26 VAL HA 4.500 . 5.000 3.768 3.712 3.823 . 0 0 "[ . 1 . 2]" 1
648 1 25 ALA MB 1 26 VAL MG1 4.500 . 5.000 3.163 2.906 3.376 . 0 0 "[ . 1 . 2]" 1
649 1 25 ALA MB 1 28 GLU H 4.500 . 5.000 4.622 4.398 4.892 . 0 0 "[ . 1 . 2]" 1
650 1 25 ALA MB 1 29 ARG HB3 4.500 . 5.000 4.330 3.920 4.635 . 0 0 "[ . 1 . 2]" 1
651 1 25 ALA H 1 26 VAL MG1 4.500 . 5.000 3.761 3.591 4.201 . 0 0 "[ . 1 . 2]" 1
652 1 25 ALA H 1 26 VAL MG2 4.500 . 5.000 3.976 3.747 4.236 . 0 0 "[ . 1 . 2]" 1
653 1 26 VAL HA 1 28 GLU H 4.500 . 5.000 4.489 4.079 4.661 . 0 0 "[ . 1 . 2]" 1
654 1 26 VAL HA 1 29 ARG HB3 4.500 . 5.000 2.040 1.892 2.758 . 0 0 "[ . 1 . 2]" 1
655 1 26 VAL HA 1 30 LEU MD2 4.500 . 5.000 4.750 4.536 4.939 . 0 0 "[ . 1 . 2]" 1
656 1 26 VAL HA 1 30 LEU H 4.500 . 5.000 3.483 3.341 3.622 . 0 0 "[ . 1 . 2]" 1
657 1 26 VAL HB 1 30 LEU MD2 4.500 . 5.000 3.863 3.420 4.174 . 0 0 "[ . 1 . 2]" 1
658 1 26 VAL MG1 1 27 GLN H 4.500 . 5.000 3.759 3.664 3.938 . 0 0 "[ . 1 . 2]" 1
659 1 26 VAL MG1 1 43 LEU HB3 4.500 . 5.000 4.682 4.392 5.009 0.009 7 0 "[ . 1 . 2]" 1
660 1 26 VAL MG2 1 27 GLN H 4.500 . 5.000 2.080 1.903 2.350 . 0 0 "[ . 1 . 2]" 1
661 1 26 VAL MG2 1 28 GLU H 4.500 . 5.000 4.395 4.046 4.664 . 0 0 "[ . 1 . 2]" 1
662 1 26 VAL MG2 1 30 LEU HB3 4.500 . 5.000 5.040 5.025 5.058 0.058 12 0 "[ . 1 . 2]" 1
663 1 26 VAL H 1 28 GLU H 4.500 . 5.000 4.530 4.110 4.809 . 0 0 "[ . 1 . 2]" 1
664 1 27 GLN HA 1 29 ARG H 4.500 . 5.000 4.315 4.199 4.690 . 0 0 "[ . 1 . 2]" 1
665 1 27 GLN HA 1 30 LEU HB3 4.500 . 5.000 3.570 3.141 3.912 . 0 0 "[ . 1 . 2]" 1
666 1 27 GLN HA 1 30 LEU HB2 4.500 . 5.000 3.159 2.750 3.424 . 0 0 "[ . 1 . 2]" 1
667 1 27 GLN HA 1 30 LEU H 4.500 . 5.000 3.646 3.567 3.805 . 0 0 "[ . 1 . 2]" 1
668 1 27 GLN HB3 1 27 GLN HE21 4.500 . 5.000 2.319 1.893 4.165 . 0 0 "[ . 1 . 2]" 1
669 1 27 GLN HB3 1 27 GLN HE22 4.500 . 5.000 3.799 3.417 4.868 . 0 0 "[ . 1 . 2]" 1
670 1 27 GLN HB2 1 27 GLN HE21 4.500 . 5.000 2.836 2.440 4.511 . 0 0 "[ . 1 . 2]" 1
671 1 27 GLN HE21 1 80 VAL HB 4.500 . 5.000 4.584 3.950 5.006 0.006 20 0 "[ . 1 . 2]" 1
672 1 27 GLN HE21 1 80 VAL MG1 4.500 . 5.000 3.135 2.748 3.946 . 0 0 "[ . 1 . 2]" 1
673 1 27 GLN HE21 1 82 GLU HA 4.500 . 5.000 3.338 2.874 4.176 . 0 0 "[ . 1 . 2]" 1
674 1 27 GLN HE21 1 83 PRO HD2 4.500 . 5.000 4.533 3.855 5.017 0.017 20 0 "[ . 1 . 2]" 1
675 1 27 GLN HG3 1 80 VAL MG2 4.500 . 5.000 4.721 4.467 5.025 0.025 11 0 "[ . 1 . 2]" 1
676 1 27 GLN HG2 1 80 VAL MG1 4.500 . 5.000 3.976 1.802 4.258 . 0 0 "[ . 1 . 2]" 1
677 1 28 GLU H 1 29 ARG HB3 4.500 . 5.000 4.821 4.425 5.029 0.029 14 0 "[ . 1 . 2]" 1
678 1 28 GLU H 1 30 LEU H 4.500 . 5.000 4.034 3.756 4.151 . 0 0 "[ . 1 . 2]" 1
679 1 28 GLU H 1 80 VAL MG2 4.500 . 5.000 4.764 4.218 4.999 . 0 0 "[ . 1 . 2]" 1
680 1 29 ARG HA 1 29 ARG HD3 4.500 . 5.000 3.028 1.953 4.203 . 0 0 "[ . 1 . 2]" 1
681 1 29 ARG HA 1 29 ARG HD2 4.500 . 5.000 2.874 1.929 4.771 . 0 0 "[ . 1 . 2]" 1
682 1 29 ARG HA 1 29 ARG QD 4.500 . 5.000 2.369 1.912 3.943 . 0 0 "[ . 1 . 2]" 1
683 1 29 ARG HB2 1 32 ALA MB 4.500 . 5.000 4.155 3.502 4.545 . 0 0 "[ . 1 . 2]" 1
684 1 29 ARG H 1 30 LEU H 4.500 . 5.000 2.478 2.447 2.614 . 0 0 "[ . 1 . 2]" 1
685 1 30 LEU HA 1 30 LEU MD2 4.500 . 5.000 2.110 1.943 2.262 . 0 0 "[ . 1 . 2]" 1
686 1 30 LEU HA 1 39 LEU HG 4.500 . 5.000 4.143 3.893 4.323 . 0 0 "[ . 1 . 2]" 1
687 1 30 LEU HB3 1 31 LYS HD3 4.500 . 5.000 3.930 3.748 4.798 . 0 0 "[ . 1 . 2]" 1
688 1 30 LEU HB3 1 31 LYS HD2 4.500 . 5.000 3.740 3.216 4.129 . 0 0 "[ . 1 . 2]" 1
689 1 30 LEU HB3 1 80 VAL MG1 4.500 . 5.000 4.188 3.841 4.645 . 0 0 "[ . 1 . 2]" 1
690 1 30 LEU HB3 1 80 VAL MG2 4.500 . 5.000 2.236 1.939 2.771 . 0 0 "[ . 1 . 2]" 1
691 1 30 LEU HB2 1 80 VAL MG2 4.500 . 5.000 2.695 2.466 3.164 . 0 0 "[ . 1 . 2]" 1
692 1 30 LEU MD1 1 31 LYS HD3 4.500 . 5.000 4.954 3.977 5.027 0.027 10 0 "[ . 1 . 2]" 1
693 1 30 LEU MD1 1 31 LYS HG2 4.500 . 5.000 4.989 4.831 5.037 0.037 4 0 "[ . 1 . 2]" 1
694 1 30 LEU MD1 1 31 LYS H 4.500 . 5.000 3.069 2.920 3.293 . 0 0 "[ . 1 . 2]" 1
695 1 30 LEU MD1 1 35 LYS HA 4.500 . 5.000 3.223 2.862 3.741 . 0 0 "[ . 1 . 2]" 1
696 1 30 LEU MD1 1 35 LYS H 4.500 . 5.000 4.820 4.663 5.021 0.021 19 0 "[ . 1 . 2]" 1
697 1 30 LEU MD1 1 36 PHE HB3 4.500 . 5.000 3.294 2.763 4.404 . 0 0 "[ . 1 . 2]" 1
698 1 30 LEU MD1 1 36 PHE HB2 4.500 . 5.000 4.326 2.738 4.960 . 0 0 "[ . 1 . 2]" 1
699 1 30 LEU MD2 1 36 PHE HA 4.500 . 5.000 1.938 1.827 2.105 . 0 0 "[ . 1 . 2]" 1
700 1 30 LEU MD2 1 39 LEU HA 4.500 . 5.000 5.021 4.935 5.055 0.055 20 0 "[ . 1 . 2]" 1
701 1 30 LEU MD2 1 39 LEU HB3 4.500 . 5.000 4.004 3.934 4.076 . 0 0 "[ . 1 . 2]" 1
702 1 30 LEU MD2 1 39 LEU MD1 4.500 . 5.000 3.309 3.161 3.392 . 0 0 "[ . 1 . 2]" 1
703 1 30 LEU MD2 1 39 LEU H 4.500 . 5.000 3.865 3.746 3.978 . 0 0 "[ . 1 . 2]" 1
704 1 30 LEU MD2 1 80 VAL MG1 4.500 . 5.000 4.670 4.433 5.018 0.018 20 0 "[ . 1 . 2]" 1
705 1 30 LEU HG 1 80 VAL MG1 4.500 . 5.000 4.186 3.772 4.753 . 0 0 "[ . 1 . 2]" 1
706 1 30 LEU HG 1 94 LYS HB3 4.500 . 5.000 3.824 3.265 4.438 . 0 0 "[ . 1 . 2]" 1
707 1 30 LEU H 1 30 LEU MD1 4.500 . 5.000 4.206 4.150 4.225 . 0 0 "[ . 1 . 2]" 1
708 1 30 LEU H 1 31 LYS HD2 4.500 . 5.000 4.955 4.788 5.071 0.071 4 0 "[ . 1 . 2]" 1
709 1 30 LEU H 1 31 LYS H 4.500 . 5.000 2.925 2.555 3.008 . 0 0 "[ . 1 . 2]" 1
710 1 31 LYS HA 1 31 LYS HD2 4.500 . 5.000 4.054 2.435 4.224 . 0 0 "[ . 1 . 2]" 1
711 1 31 LYS HA 1 32 ALA HA 4.500 . 5.000 4.837 4.753 4.862 . 0 0 "[ . 1 . 2]" 1
712 1 31 LYS HB3 1 31 LYS QE 4.500 . 5.000 3.465 3.110 3.883 . 0 0 "[ . 1 . 2]" 1
713 1 31 LYS HB3 1 32 ALA H 4.500 . 5.000 4.259 3.562 4.385 . 0 0 "[ . 1 . 2]" 1
714 1 31 LYS HD3 1 80 VAL MG2 4.500 . 5.000 3.719 3.021 4.001 . 0 0 "[ . 1 . 2]" 1
715 1 31 LYS QE 1 80 VAL MG2 4.500 . 5.000 4.312 3.560 4.996 . 0 0 "[ . 1 . 2]" 1
716 1 31 LYS H 1 31 LYS QE 4.500 . 5.000 4.223 4.090 4.332 . 0 0 "[ . 1 . 2]" 1
717 1 31 LYS H 1 31 LYS HG2 4.500 . 5.000 2.574 2.145 4.269 . 0 0 "[ . 1 . 2]" 1
718 1 32 ALA MB 1 33 GLY HA2 4.500 . 5.000 4.663 4.538 5.054 0.054 15 0 "[ . 1 . 2]" 1
719 1 32 ALA MB 1 34 GLU HG3 4.500 . 5.000 4.435 2.705 5.006 0.006 20 0 "[ . 1 . 2]" 1
720 1 33 GLY H 1 34 GLU HG3 4.500 . 5.000 4.274 3.316 4.972 . 0 0 "[ . 1 . 2]" 1
721 1 34 GLU HA 1 39 LEU MD2 4.500 . 5.000 4.598 4.467 4.963 . 0 0 "[ . 1 . 2]" 1
722 1 34 GLU HB3 1 39 LEU MD2 4.500 . 5.000 3.898 3.345 4.327 . 0 0 "[ . 1 . 2]" 1
723 1 34 GLU HB2 1 38 LYS QE 4.500 . 5.000 3.807 2.349 5.032 0.032 12 0 "[ . 1 . 2]" 1
724 1 34 GLU HG3 1 35 LYS H 4.500 . 5.000 4.061 3.753 5.010 0.010 2 0 "[ . 1 . 2]" 1
725 1 34 GLU HG3 1 39 LEU MD2 4.500 . 5.000 2.483 1.917 4.372 . 0 0 "[ . 1 . 2]" 1
726 1 34 GLU HG2 1 35 LYS H 4.500 . 5.000 4.840 4.591 5.045 0.045 17 0 "[ . 1 . 2]" 1
727 1 34 GLU HG2 1 39 LEU MD2 4.500 . 5.000 3.691 3.343 4.949 . 0 0 "[ . 1 . 2]" 1
728 1 34 GLU H 1 34 GLU HG2 4.500 . 5.000 2.085 1.924 3.448 . 0 0 "[ . 1 . 2]" 1
729 1 34 GLU H 1 35 LYS H 4.500 . 5.000 4.595 4.546 4.618 . 0 0 "[ . 1 . 2]" 1
730 1 34 GLU H 1 39 LEU MD2 4.500 . 5.000 4.845 4.736 5.024 0.024 8 0 "[ . 1 . 2]" 1
731 1 35 LYS HA 1 36 PHE HA 4.500 . 5.000 4.306 4.279 4.337 . 0 0 "[ . 1 . 2]" 1
732 1 35 LYS HB3 1 37 GLY H 4.500 . 5.000 3.283 2.624 4.532 . 0 0 "[ . 1 . 2]" 1
733 1 35 LYS HB2 1 37 GLY H 4.500 . 5.000 4.285 3.062 4.974 . 0 0 "[ . 1 . 2]" 1
734 1 35 LYS QG 1 36 PHE HB2 4.500 . 5.000 4.776 4.331 5.034 0.034 3 0 "[ . 1 . 2]" 1
735 1 35 LYS H 1 38 LYS H 4.500 . 5.000 3.901 3.663 4.350 . 0 0 "[ . 1 . 2]" 1
736 1 35 LYS H 1 39 LEU MD2 4.500 . 5.000 3.711 3.578 4.052 . 0 0 "[ . 1 . 2]" 1
737 1 36 PHE HA 1 39 LEU HB3 4.500 . 5.000 4.797 4.469 5.013 0.013 19 0 "[ . 1 . 2]" 1
738 1 36 PHE HA 1 39 LEU HB2 4.500 . 5.000 3.179 2.848 3.437 . 0 0 "[ . 1 . 2]" 1
739 1 36 PHE HA 1 39 LEU MD2 4.500 . 5.000 2.105 1.919 2.319 . 0 0 "[ . 1 . 2]" 1
740 1 36 PHE HA 1 39 LEU H 4.500 . 5.000 3.566 3.314 3.705 . 0 0 "[ . 1 . 2]" 1
741 1 36 PHE HA 1 40 ALA H 4.500 . 5.000 4.517 4.226 4.931 . 0 0 "[ . 1 . 2]" 1
742 1 36 PHE HB3 1 37 GLY H 4.500 . 5.000 3.902 2.402 4.219 . 0 0 "[ . 1 . 2]" 1
743 1 36 PHE QD 1 37 GLY HA3 4.500 . 5.000 3.549 3.183 5.037 0.037 1 0 "[ . 1 . 2]" 1
744 1 36 PHE QD 1 40 ALA MB 4.500 . 5.000 4.636 4.382 4.903 . 0 0 "[ . 1 . 2]" 1
745 1 37 GLY HA3 1 40 ALA MB 4.500 . 5.000 3.961 3.657 4.263 . 0 0 "[ . 1 . 2]" 1
746 1 37 GLY HA3 1 53 ASP HA 4.500 . 5.000 3.269 2.803 3.900 . 0 0 "[ . 1 . 2]" 1
747 1 37 GLY HA2 1 40 ALA MB 4.500 . 5.000 2.668 2.371 2.961 . 0 0 "[ . 1 . 2]" 1
748 1 37 GLY H 1 40 ALA MB 4.500 . 5.000 4.784 4.636 4.947 . 0 0 "[ . 1 . 2]" 1
749 1 38 LYS HA 1 38 LYS QD 4.500 . 5.000 3.149 2.385 4.082 . 0 0 "[ . 1 . 2]" 1
750 1 38 LYS HA 1 40 ALA H 4.500 . 5.000 4.135 3.998 4.224 . 0 0 "[ . 1 . 2]" 1
751 1 38 LYS HA 1 41 LYS QG 4.500 . 5.000 3.133 2.597 4.858 . 0 0 "[ . 1 . 2]" 1
752 1 38 LYS HA 1 41 LYS H 4.500 . 5.000 3.759 3.686 3.853 . 0 0 "[ . 1 . 2]" 1
753 1 38 LYS HB3 1 39 LEU H 4.500 . 5.000 2.769 2.279 3.823 . 0 0 "[ . 1 . 2]" 1
754 1 38 LYS HB2 1 39 LEU H 4.500 . 5.000 3.106 2.299 3.778 . 0 0 "[ . 1 . 2]" 1
755 1 38 LYS QD 1 39 LEU MD2 4.500 . 5.000 4.598 3.652 5.008 0.008 1 0 "[ . 1 . 2]" 1
756 1 38 LYS QD 1 39 LEU H 4.500 . 5.000 4.784 3.873 5.023 0.023 8 0 "[ . 1 . 2]" 1
757 1 38 LYS QG 1 39 LEU MD2 4.500 . 5.000 3.659 3.107 4.290 . 0 0 "[ . 1 . 2]" 1
758 1 38 LYS H 1 39 LEU MD2 4.500 . 5.000 3.396 3.235 3.477 . 0 0 "[ . 1 . 2]" 1
759 1 38 LYS H 1 39 LEU H 4.500 . 5.000 2.754 2.596 2.826 . 0 0 "[ . 1 . 2]" 1
760 1 38 LYS H 1 40 ALA H 4.500 . 5.000 3.966 3.866 4.053 . 0 0 "[ . 1 . 2]" 1
761 1 39 LEU HA 1 39 LEU MD1 4.500 . 5.000 1.909 1.869 2.053 . 0 0 "[ . 1 . 2]" 1
762 1 39 LEU HA 1 42 GLU HB3 4.500 . 5.000 2.590 2.503 2.666 . 0 0 "[ . 1 . 2]" 1
763 1 39 LEU HA 1 42 GLU H 4.500 . 5.000 3.100 3.068 3.145 . 0 0 "[ . 1 . 2]" 1
764 1 39 LEU HB3 1 40 ALA MB 4.500 . 5.000 4.986 4.918 5.030 0.030 1 0 "[ . 1 . 2]" 1
765 1 39 LEU HB2 1 40 ALA MB 4.500 . 5.000 4.232 4.169 4.288 . 0 0 "[ . 1 . 2]" 1
766 1 39 LEU HB2 1 44 SER H 4.500 . 5.000 5.069 5.055 5.084 0.084 8 0 "[ . 1 . 2]" 1
767 1 39 LEU MD1 1 43 LEU MD2 4.500 . 5.000 2.384 1.988 2.742 . 0 0 "[ . 1 . 2]" 1
768 1 39 LEU MD2 1 40 ALA H 4.500 . 5.000 3.766 3.714 3.833 . 0 0 "[ . 1 . 2]" 1
769 1 39 LEU MD2 1 42 GLU HB3 4.500 . 5.000 4.823 4.536 4.980 . 0 0 "[ . 1 . 2]" 1
770 1 39 LEU H 1 39 LEU MD1 4.500 . 5.000 3.083 2.943 3.330 . 0 0 "[ . 1 . 2]" 1
771 1 39 LEU H 1 39 LEU MD2 4.500 . 5.000 1.801 1.783 1.817 0.017 12 0 "[ . 1 . 2]" 1
772 1 39 LEU H 1 40 ALA MB 4.500 . 5.000 4.358 4.278 4.415 . 0 0 "[ . 1 . 2]" 1
773 1 39 LEU H 1 42 GLU HB3 4.500 . 5.000 5.055 5.022 5.079 0.079 14 0 "[ . 1 . 2]" 1
774 1 3 MET HA 1 4 GLY QA 4.500 . 5.000 3.944 3.900 4.001 . 0 0 "[ . 1 . 2]" 1
775 1 40 ALA HA 1 44 SER HB2 4.500 . 5.000 1.821 1.780 1.902 0.020 1 0 "[ . 1 . 2]" 1
776 1 40 ALA MB 1 41 LYS HA 4.500 . 5.000 3.833 3.760 3.886 . 0 0 "[ . 1 . 2]" 1
777 1 40 ALA MB 1 44 SER HB2 4.500 . 5.000 3.541 3.476 3.654 . 0 0 "[ . 1 . 2]" 1
778 1 40 ALA MB 1 50 ALA HA 4.500 . 5.000 2.481 1.887 2.906 . 0 0 "[ . 1 . 2]" 1
779 1 40 ALA MB 1 53 ASP HA 4.500 . 5.000 2.455 1.992 2.635 . 0 0 "[ . 1 . 2]" 1
780 1 40 ALA MB 1 53 ASP HB2 4.500 . 5.000 4.012 3.380 4.199 . 0 0 "[ . 1 . 2]" 1
781 1 40 ALA MB 1 54 GLY HA3 4.500 . 5.000 2.971 2.458 3.709 . 0 0 "[ . 1 . 2]" 1
782 1 40 ALA MB 1 54 GLY HA2 4.500 . 5.000 3.673 2.904 4.434 . 0 0 "[ . 1 . 2]" 1
783 1 40 ALA MB 1 54 GLY H 4.500 . 5.000 2.988 2.423 3.372 . 0 0 "[ . 1 . 2]" 1
784 1 40 ALA H 1 41 LYS H 4.500 . 5.000 2.908 2.886 2.937 . 0 0 "[ . 1 . 2]" 1
785 1 40 ALA H 1 53 ASP HA 4.500 . 5.000 4.546 4.319 4.747 . 0 0 "[ . 1 . 2]" 1
786 1 41 LYS QB 1 50 ALA MB 4.500 . 5.000 4.558 4.108 4.900 . 0 0 "[ . 1 . 2]" 1
787 1 41 LYS H 1 41 LYS QD 4.500 . 5.000 3.800 2.177 4.310 . 0 0 "[ . 1 . 2]" 1
788 1 41 LYS H 1 42 GLU QG 4.500 . 5.000 5.010 4.963 5.031 0.031 3 0 "[ . 1 . 2]" 1
789 1 41 LYS H 1 43 LEU H 4.500 . 5.000 4.884 4.809 4.941 . 0 0 "[ . 1 . 2]" 1
790 1 41 LYS H 1 44 SER HB2 4.500 . 5.000 4.402 4.143 4.896 . 0 0 "[ . 1 . 2]" 1
791 1 42 GLU H 1 42 GLU QG 4.500 . 5.000 3.350 3.318 3.376 . 0 0 "[ . 1 . 2]" 1
792 1 43 LEU HB3 1 44 SER H 4.500 . 5.000 4.464 4.417 4.543 . 0 0 "[ . 1 . 2]" 1
793 1 43 LEU HB2 1 44 SER H 4.500 . 5.000 3.966 3.880 4.018 . 0 0 "[ . 1 . 2]" 1
794 1 43 LEU MD1 1 44 SER H 4.500 . 5.000 3.557 3.394 3.828 . 0 0 "[ . 1 . 2]" 1
795 1 43 LEU H 1 44 SER HB2 4.500 . 5.000 3.825 3.742 4.126 . 0 0 "[ . 1 . 2]" 1
796 1 44 SER HA 1 45 ILE HG13 4.500 . 5.000 4.297 3.734 5.025 0.025 20 0 "[ . 1 . 2]" 1
797 1 44 SER HA 1 45 ILE MG 4.500 . 5.000 3.866 3.432 4.206 . 0 0 "[ . 1 . 2]" 1
798 1 44 SER HB2 1 45 ILE H 4.500 . 5.000 4.366 4.252 4.477 . 0 0 "[ . 1 . 2]" 1
799 1 44 SER H 1 45 ILE H 4.500 . 5.000 4.573 4.528 4.618 . 0 0 "[ . 1 . 2]" 1
800 1 45 ILE HA 1 45 ILE MD 4.500 . 5.000 4.109 4.000 4.194 . 0 0 "[ . 1 . 2]" 1
801 1 48 GLY QA 1 50 ALA H 4.500 . 5.000 3.461 3.245 3.785 . 0 0 "[ . 1 . 2]" 1
802 1 49 SER HA 1 51 LYS H 4.500 . 5.000 3.666 3.255 4.043 . 0 0 "[ . 1 . 2]" 1
803 1 50 ALA MB 1 51 LYS QD 4.500 . 5.000 4.753 4.125 5.172 0.172 11 0 "[ . 1 . 2]" 1
804 1 50 ALA MB 1 54 GLY H 4.500 . 5.000 4.378 4.177 4.814 . 0 0 "[ . 1 . 2]" 1
805 1 50 ALA H 1 51 LYS H 4.500 . 5.000 2.490 2.391 2.797 . 0 0 "[ . 1 . 2]" 1
806 1 50 ALA H 1 52 ARG H 4.500 . 5.000 4.012 3.710 4.279 . 0 0 "[ . 1 . 2]" 1
807 1 51 LYS HA 1 51 LYS HE3 4.500 . 5.000 4.010 2.052 5.010 0.010 11 0 "[ . 1 . 2]" 1
808 1 51 LYS HA 1 51 LYS HE2 4.500 . 5.000 4.107 2.213 5.067 0.067 11 0 "[ . 1 . 2]" 1
809 1 51 LYS HA 1 51 LYS QE 4.500 . 5.000 3.479 1.990 4.489 . 0 0 "[ . 1 . 2]" 1
810 1 52 ARG HA 1 52 ARG QD 4.500 . 5.000 3.863 2.470 4.662 . 0 0 "[ . 1 . 2]" 1
811 1 52 ARG HB3 1 54 GLY H 4.500 . 5.000 4.767 3.725 5.027 0.027 10 0 "[ . 1 . 2]" 1
812 1 52 ARG HB3 1 55 SER H 4.500 . 5.000 4.395 3.482 5.026 0.026 11 0 "[ . 1 . 2]" 1
813 1 52 ARG HB2 1 55 SER QB 4.500 . 5.000 3.949 2.966 5.007 0.007 19 0 "[ . 1 . 2]" 1
814 1 52 ARG HB2 1 55 SER H 4.500 . 5.000 3.480 2.854 4.382 . 0 0 "[ . 1 . 2]" 1
815 1 52 ARG H 1 52 ARG QD 4.500 . 5.000 4.179 3.356 4.799 . 0 0 "[ . 1 . 2]" 1
816 1 52 ARG H 1 53 ASP HA 4.500 . 5.000 4.629 4.475 4.791 . 0 0 "[ . 1 . 2]" 1
817 1 52 ARG H 1 53 ASP H 4.500 . 5.000 2.604 2.401 2.676 . 0 0 "[ . 1 . 2]" 1
818 1 52 ARG H 1 54 GLY H 4.500 . 5.000 3.040 2.752 3.322 . 0 0 "[ . 1 . 2]" 1
819 1 53 ASP HB3 1 55 SER QB 4.500 . 5.000 4.650 4.263 5.005 0.005 5 0 "[ . 1 . 2]" 1
820 1 53 ASP HB3 1 55 SER H 4.500 . 5.000 4.594 4.220 5.006 0.006 10 0 "[ . 1 . 2]" 1
821 1 54 GLY HA3 1 56 LEU MD2 4.500 . 5.000 4.725 4.258 5.032 0.032 6 0 "[ . 1 . 2]" 1
822 1 54 GLY H 1 55 SER H 4.500 . 5.000 2.717 2.500 2.824 . 0 0 "[ . 1 . 2]" 1
823 1 55 SER HA 1 56 LEU MD2 4.500 . 5.000 4.837 4.615 4.982 . 0 0 "[ . 1 . 2]" 1
824 1 55 SER HA 1 96 LEU MD1 4.500 . 5.000 3.736 3.046 4.110 . 0 0 "[ . 1 . 2]" 1
825 1 55 SER QB 1 96 LEU MD1 4.500 . 5.000 3.357 2.375 3.945 . 0 0 "[ . 1 . 2]" 1
826 1 55 SER H 1 56 LEU MD2 4.500 . 5.000 4.955 4.811 5.019 0.019 19 0 "[ . 1 . 2]" 1
827 1 56 LEU HA 1 56 LEU MD1 4.500 . 5.000 3.755 3.718 3.862 . 0 0 "[ . 1 . 2]" 1
828 1 56 LEU HB2 1 57 GLY H 4.500 . 5.000 3.026 2.626 3.314 . 0 0 "[ . 1 . 2]" 1
829 1 56 LEU HG 1 57 GLY H 4.500 . 5.000 4.652 4.316 4.911 . 0 0 "[ . 1 . 2]" 1
830 1 56 LEU H 1 56 LEU MD1 4.500 . 5.000 3.843 3.597 3.952 . 0 0 "[ . 1 . 2]" 1
831 1 56 LEU H 1 56 LEU MD2 4.500 . 5.000 3.227 3.018 3.407 . 0 0 "[ . 1 . 2]" 1
832 1 56 LEU H 1 56 LEU HG 4.500 . 5.000 2.487 2.119 2.726 . 0 0 "[ . 1 . 2]" 1
833 1 56 LEU H 1 57 GLY H 4.500 . 5.000 2.664 2.604 2.746 . 0 0 "[ . 1 . 2]" 1
834 1 56 LEU H 1 96 LEU MD2 4.500 . 5.000 3.244 2.728 3.780 . 0 0 "[ . 1 . 2]" 1
835 1 57 GLY H 1 58 TYR H 4.500 . 5.000 4.620 4.596 4.643 . 0 0 "[ . 1 . 2]" 1
836 1 58 TYR HB2 1 59 PHE H 4.500 . 5.000 3.816 3.341 3.972 . 0 0 "[ . 1 . 2]" 1
837 1 58 TYR H 1 58 TYR QE 4.500 . 5.000 3.745 3.690 3.843 . 0 0 "[ . 1 . 2]" 1
838 1 58 TYR H 1 59 PHE H 4.500 . 5.000 4.431 4.367 4.482 . 0 0 "[ . 1 . 2]" 1
839 1 59 PHE HB3 1 64 MET ME 4.500 . 5.000 3.203 1.833 5.005 0.005 6 0 "[ . 1 . 2]" 1
840 1 59 PHE HB2 1 60 GLY HA2 4.500 . 5.000 4.923 4.645 5.045 0.045 19 0 "[ . 1 . 2]" 1
841 1 59 PHE HB2 1 64 MET ME 4.500 . 5.000 2.816 2.184 4.302 . 0 0 "[ . 1 . 2]" 1
842 1 59 PHE QD 1 64 MET ME 4.500 . 5.000 2.691 2.105 3.500 . 0 0 "[ . 1 . 2]" 1
843 1 59 PHE H 1 59 PHE QD 4.500 . 5.000 3.647 3.194 4.034 . 0 0 "[ . 1 . 2]" 1
844 1 59 PHE H 1 60 GLY H 4.500 . 5.000 4.377 4.240 4.450 . 0 0 "[ . 1 . 2]" 1
845 1 60 GLY H 1 61 ARG H 4.500 . 5.000 4.423 4.386 4.484 . 0 0 "[ . 1 . 2]" 1
846 1 61 ARG HA 1 61 ARG QD 4.500 . 5.000 4.091 3.620 4.458 . 0 0 "[ . 1 . 2]" 1
847 1 61 ARG H 1 61 ARG QD 4.500 . 5.000 3.248 1.950 4.122 . 0 0 "[ . 1 . 2]" 1
848 1 61 ARG H 1 62 GLY H 4.500 . 5.000 4.107 3.903 4.591 . 0 0 "[ . 1 . 2]" 1
849 1 61 ARG H 1 62 GLY QA 4.500 . 5.000 4.783 4.713 4.952 . 0 0 "[ . 1 . 2]" 1
850 1 62 GLY H 1 63 LYS H 4.500 . 5.000 1.911 1.856 2.372 . 0 0 "[ . 1 . 2]" 1
851 1 62 GLY QA 1 64 MET H 4.500 . 5.000 4.316 3.690 4.542 . 0 0 "[ . 1 . 2]" 1
852 1 63 LYS HA 1 64 MET HA 4.500 . 5.000 4.563 4.357 4.637 . 0 0 "[ . 1 . 2]" 1
853 1 63 LYS H 1 64 MET H 4.500 . 5.000 2.028 1.806 2.452 . 0 0 "[ . 1 . 2]" 1
854 1 64 MET HA 1 65 VAL MG1 4.500 . 5.000 3.702 3.422 3.904 . 0 0 "[ . 1 . 2]" 1
855 1 64 MET HA 1 69 GLU QG 4.500 . 5.000 5.016 5.006 5.039 0.039 19 0 "[ . 1 . 2]" 1
856 1 64 MET HB2 1 64 MET ME 4.500 . 5.000 3.040 1.882 4.248 . 0 0 "[ . 1 . 2]" 1
857 1 64 MET HB2 1 65 VAL MG1 4.500 . 5.000 4.668 3.854 5.029 0.029 18 0 "[ . 1 . 2]" 1
858 1 64 MET HB2 1 65 VAL MG2 4.500 . 5.000 3.712 3.118 4.444 . 0 0 "[ . 1 . 2]" 1
859 1 64 MET HB2 1 68 PHE HB3 4.500 . 5.000 3.194 2.444 4.752 . 0 0 "[ . 1 . 2]" 1
860 1 64 MET HB2 1 68 PHE QD 4.500 . 5.000 3.089 2.316 5.003 0.003 9 0 "[ . 1 . 2]" 1
861 1 64 MET HB2 1 69 GLU QG 4.500 . 5.000 3.397 2.181 4.640 . 0 0 "[ . 1 . 2]" 1
862 1 64 MET ME 1 68 PHE QD 4.500 . 5.000 2.544 1.984 4.060 . 0 0 "[ . 1 . 2]" 1
863 1 65 VAL HA 1 67 PRO HD3 4.500 . 5.000 4.968 4.683 5.024 0.024 20 0 "[ . 1 . 2]" 1
864 1 65 VAL HB 1 67 PRO HD3 4.500 . 5.000 3.430 3.351 3.502 . 0 0 "[ . 1 . 2]" 1
865 1 65 VAL HB 1 68 PHE H 4.500 . 5.000 3.599 3.539 3.667 . 0 0 "[ . 1 . 2]" 1
866 1 65 VAL MG1 1 67 PRO HD3 4.500 . 5.000 4.875 4.817 4.953 . 0 0 "[ . 1 . 2]" 1
867 1 65 VAL MG1 1 68 PHE HB2 4.500 . 5.000 4.087 3.999 4.140 . 0 0 "[ . 1 . 2]" 1
868 1 65 VAL MG1 1 86 SER HB3 4.500 . 5.000 3.147 2.565 3.795 . 0 0 "[ . 1 . 2]" 1
869 1 65 VAL MG1 1 86 SER HB2 4.500 . 5.000 3.647 2.803 4.123 . 0 0 "[ . 1 . 2]" 1
870 1 65 VAL MG1 1 86 SER QB 4.500 . 5.000 2.961 2.375 3.479 . 0 0 "[ . 1 . 2]" 1
871 1 65 VAL MG1 1 87 GLU HG3 4.500 . 5.000 4.408 3.690 4.960 . 0 0 "[ . 1 . 2]" 1
872 1 65 VAL MG2 1 67 PRO HA 4.500 . 5.000 4.588 4.535 4.618 . 0 0 "[ . 1 . 2]" 1
873 1 65 VAL MG2 1 67 PRO HG2 4.500 . 5.000 1.890 1.865 1.919 . 0 0 "[ . 1 . 2]" 1
874 1 65 VAL MG2 1 68 PHE HA 4.500 . 5.000 3.548 3.531 3.569 . 0 0 "[ . 1 . 2]" 1
875 1 65 VAL MG2 1 68 PHE HB3 4.500 . 5.000 1.849 1.797 1.914 0.003 14 0 "[ . 1 . 2]" 1
876 1 65 VAL MG2 1 68 PHE HB2 4.500 . 5.000 1.950 1.907 2.034 . 0 0 "[ . 1 . 2]" 1
877 1 65 VAL MG2 1 84 VAL MG2 4.500 . 5.000 5.053 5.032 5.084 0.084 1 0 "[ . 1 . 2]" 1
878 1 65 VAL MG2 1 86 SER HB3 4.500 . 5.000 3.390 2.490 3.889 . 0 0 "[ . 1 . 2]" 1
879 1 65 VAL MG2 1 86 SER HB2 4.500 . 5.000 3.544 3.284 3.882 . 0 0 "[ . 1 . 2]" 1
880 1 66 LYS HA 1 70 ASP H 4.500 . 5.000 3.896 3.742 4.136 . 0 0 "[ . 1 . 2]" 1
881 1 66 LYS H 1 66 LYS QD 4.500 . 5.000 4.076 2.778 4.826 . 0 0 "[ . 1 . 2]" 1
882 1 67 PRO HA 1 71 ALA MB 4.500 . 5.000 4.916 4.590 5.015 0.015 1 0 "[ . 1 . 2]" 1
883 1 67 PRO HA 1 84 VAL MG1 4.500 . 5.000 3.684 3.532 3.800 . 0 0 "[ . 1 . 2]" 1
884 1 67 PRO HB3 1 68 PHE H 4.500 . 5.000 4.027 3.987 4.070 . 0 0 "[ . 1 . 2]" 1
885 1 67 PRO HB2 1 68 PHE H 4.500 . 5.000 3.010 2.930 3.125 . 0 0 "[ . 1 . 2]" 1
886 1 67 PRO HB2 1 84 VAL MG1 4.500 . 5.000 1.754 1.741 1.771 0.059 1 0 "[ . 1 . 2]" 1
887 1 67 PRO HG3 1 84 VAL MG1 4.500 . 5.000 3.575 3.427 3.717 . 0 0 "[ . 1 . 2]" 1
888 1 67 PRO HG3 1 86 SER HA 4.500 . 5.000 3.727 3.220 4.205 . 0 0 "[ . 1 . 2]" 1
889 1 67 PRO HG3 1 86 SER HB3 4.500 . 5.000 4.178 3.287 4.978 . 0 0 "[ . 1 . 2]" 1
890 1 67 PRO HG3 1 86 SER HB2 4.500 . 5.000 4.934 4.099 5.014 0.014 14 0 "[ . 1 . 2]" 1
891 1 67 PRO HG3 1 86 SER QB 4.500 . 5.000 3.897 3.246 4.375 . 0 0 "[ . 1 . 2]" 1
892 1 68 PHE HA 1 71 ALA MB 4.500 . 5.000 3.087 2.775 3.282 . 0 0 "[ . 1 . 2]" 1
893 1 68 PHE HA 1 93 ILE MD 4.500 . 5.000 2.458 1.922 2.786 . 0 0 "[ . 1 . 2]" 1
894 1 68 PHE QD 1 69 GLU HA 4.500 . 5.000 3.202 2.773 3.911 . 0 0 "[ . 1 . 2]" 1
895 1 68 PHE QD 1 72 ALA MB 4.500 . 5.000 3.212 2.620 4.275 . 0 0 "[ . 1 . 2]" 1
896 1 68 PHE QD 1 93 ILE MD 4.500 . 5.000 2.989 2.679 3.305 . 0 0 "[ . 1 . 2]" 1
897 1 68 PHE H 1 84 VAL MG1 4.500 . 5.000 3.203 3.092 3.344 . 0 0 "[ . 1 . 2]" 1
898 1 69 GLU HA 1 72 ALA H 4.500 . 5.000 3.413 3.353 3.490 . 0 0 "[ . 1 . 2]" 1
899 1 69 GLU HB2 1 70 ASP H 4.500 . 5.000 3.786 3.703 3.872 . 0 0 "[ . 1 . 2]" 1
900 1 69 GLU HG3 1 73 PHE QE 4.500 . 5.000 4.661 4.301 5.005 0.005 12 0 "[ . 1 . 2]" 1
901 1 69 GLU HG2 1 73 PHE QE 4.500 . 5.000 3.446 2.750 4.149 . 0 0 "[ . 1 . 2]" 1
902 1 69 GLU QG 1 73 PHE QE 4.500 . 5.000 3.348 2.720 3.927 . 0 0 "[ . 1 . 2]" 1
903 1 70 ASP HA 1 71 ALA HA 4.500 . 5.000 4.702 4.694 4.710 . 0 0 "[ . 1 . 2]" 1
904 1 70 ASP QB 1 71 ALA HA 4.500 . 5.000 3.926 3.769 4.146 . 0 0 "[ . 1 . 2]" 1
905 1 70 ASP QB 1 71 ALA MB 4.500 . 5.000 3.626 3.407 3.705 . 0 0 "[ . 1 . 2]" 1
906 1 70 ASP H 1 71 ALA MB 4.500 . 5.000 4.368 4.329 4.425 . 0 0 "[ . 1 . 2]" 1
907 1 70 ASP H 1 72 ALA H 4.500 . 5.000 3.718 3.654 3.816 . 0 0 "[ . 1 . 2]" 1
908 1 71 ALA HA 1 72 ALA HA 4.500 . 5.000 4.814 4.770 4.884 . 0 0 "[ . 1 . 2]" 1
909 1 71 ALA HA 1 74 ARG QB 4.500 . 5.000 2.114 1.942 2.663 . 0 0 "[ . 1 . 2]" 1
910 1 71 ALA HA 1 74 ARG H 4.500 . 5.000 3.387 3.278 3.507 . 0 0 "[ . 1 . 2]" 1
911 1 71 ALA HA 1 81 SER QB 4.500 . 5.000 4.609 4.227 5.008 0.008 5 0 "[ . 1 . 2]" 1
912 1 71 ALA HA 1 93 ILE MD 4.500 . 5.000 3.863 3.669 4.043 . 0 0 "[ . 1 . 2]" 1
913 1 71 ALA MB 1 81 SER QB 4.500 . 5.000 2.535 2.184 2.795 . 0 0 "[ . 1 . 2]" 1
914 1 71 ALA MB 1 82 GLU H 4.500 . 5.000 4.282 4.010 4.520 . 0 0 "[ . 1 . 2]" 1
915 1 71 ALA MB 1 84 VAL MG1 4.500 . 5.000 3.863 3.701 4.015 . 0 0 "[ . 1 . 2]" 1
916 1 71 ALA H 1 73 PHE H 4.500 . 5.000 4.751 4.599 4.824 . 0 0 "[ . 1 . 2]" 1
917 1 71 ALA H 1 93 ILE MD 4.500 . 5.000 3.417 3.180 3.665 . 0 0 "[ . 1 . 2]" 1
918 1 72 ALA HA 1 74 ARG H 4.500 . 5.000 3.852 3.766 4.002 . 0 0 "[ . 1 . 2]" 1
919 1 72 ALA MB 1 73 PHE HB3 4.500 . 5.000 3.780 3.705 3.957 . 0 0 "[ . 1 . 2]" 1
920 1 72 ALA MB 1 73 PHE HB2 4.500 . 5.000 4.980 4.929 5.010 0.010 12 0 "[ . 1 . 2]" 1
921 1 72 ALA MB 1 73 PHE QD 4.500 . 5.000 3.249 2.921 3.459 . 0 0 "[ . 1 . 2]" 1
922 1 72 ALA MB 1 74 ARG H 4.500 . 5.000 4.191 4.126 4.344 . 0 0 "[ . 1 . 2]" 1
923 1 72 ALA MB 1 93 ILE MG 4.500 . 5.000 3.110 2.695 3.601 . 0 0 "[ . 1 . 2]" 1
924 1 72 ALA H 1 73 PHE QD 4.500 . 5.000 4.603 4.287 4.828 . 0 0 "[ . 1 . 2]" 1
925 1 72 ALA H 1 74 ARG H 4.500 . 5.000 3.900 3.788 4.015 . 0 0 "[ . 1 . 2]" 1
926 1 72 ALA H 1 93 ILE MD 4.500 . 5.000 3.185 2.898 3.555 . 0 0 "[ . 1 . 2]" 1
927 1 72 ALA H 1 93 ILE MG 4.500 . 5.000 4.302 3.726 4.848 . 0 0 "[ . 1 . 2]" 1
928 1 73 PHE HA 1 75 LEU H 4.500 . 5.000 3.944 3.860 4.040 . 0 0 "[ . 1 . 2]" 1
929 1 73 PHE HB3 1 74 ARG H 4.500 . 5.000 4.604 4.584 4.655 . 0 0 "[ . 1 . 2]" 1
930 1 73 PHE HB2 1 74 ARG H 4.500 . 5.000 4.344 4.283 4.366 . 0 0 "[ . 1 . 2]" 1
931 1 73 PHE QD 1 74 ARG H 4.500 . 5.000 3.705 3.422 4.040 . 0 0 "[ . 1 . 2]" 1
932 1 73 PHE H 1 73 PHE QD 4.500 . 5.000 2.838 2.588 2.980 . 0 0 "[ . 1 . 2]" 1
933 1 73 PHE H 1 75 LEU H 4.500 . 5.000 4.566 4.440 4.654 . 0 0 "[ . 1 . 2]" 1
934 1 74 ARG HA 1 74 ARG QD 4.500 . 5.000 3.659 2.136 4.319 . 0 0 "[ . 1 . 2]" 1
935 1 74 ARG HA 1 75 LEU HA 4.500 . 5.000 4.578 4.567 4.611 . 0 0 "[ . 1 . 2]" 1
936 1 74 ARG QB 1 75 LEU H 4.500 . 5.000 2.952 2.784 3.578 . 0 0 "[ . 1 . 2]" 1
937 1 74 ARG H 1 75 LEU HA 4.500 . 5.000 4.867 4.814 4.922 . 0 0 "[ . 1 . 2]" 1
938 1 74 ARG H 1 76 GLN H 4.500 . 5.000 4.869 4.632 5.014 0.014 20 0 "[ . 1 . 2]" 1
939 1 75 LEU HA 1 77 VAL MG1 4.500 . 5.000 2.718 2.591 2.855 . 0 0 "[ . 1 . 2]" 1
940 1 75 LEU HA 1 79 GLU HB3 4.500 . 5.000 4.868 4.502 5.031 0.031 18 0 "[ . 1 . 2]" 1
941 1 75 LEU HB3 1 77 VAL MG1 4.500 . 5.000 3.013 2.865 3.241 . 0 0 "[ . 1 . 2]" 1
942 1 75 LEU HB3 1 79 GLU HB3 4.500 . 5.000 3.496 3.308 3.620 . 0 0 "[ . 1 . 2]" 1
943 1 75 LEU HB3 1 81 SER H 5.200 . 5.700 5.758 5.741 5.814 0.114 18 0 "[ . 1 . 2]" 1
944 1 75 LEU HB2 1 77 VAL MG1 4.500 . 5.000 4.319 4.084 4.437 . 0 0 "[ . 1 . 2]" 1
945 1 75 LEU HB2 1 77 VAL H 4.500 . 5.000 4.991 4.524 5.039 0.039 20 0 "[ . 1 . 2]" 1
946 1 75 LEU HB2 1 78 GLY H 4.500 . 5.000 4.253 3.384 4.456 . 0 0 "[ . 1 . 2]" 1
947 1 75 LEU HB2 1 79 GLU HB3 4.500 . 5.000 5.015 4.986 5.041 0.041 18 0 "[ . 1 . 2]" 1
948 1 75 LEU MD1 1 79 GLU HB2 4.500 . 5.000 3.592 3.307 4.714 . 0 0 "[ . 1 . 2]" 1
949 1 75 LEU MD1 1 79 GLU QG 4.500 . 5.000 3.847 1.803 4.859 . 0 0 "[ . 1 . 2]" 1
950 1 75 LEU MD1 1 79 GLU H 4.500 . 5.000 2.750 2.648 3.119 . 0 0 "[ . 1 . 2]" 1
951 1 75 LEU MD1 1 80 VAL H 4.500 . 5.000 3.411 3.257 3.959 . 0 0 "[ . 1 . 2]" 1
952 1 75 LEU MD1 1 82 GLU H 4.500 . 5.000 4.211 3.797 4.393 . 0 0 "[ . 1 . 2]" 1
953 1 75 LEU MD2 1 76 GLN H 4.500 . 5.000 3.945 3.820 4.311 . 0 0 "[ . 1 . 2]" 1
954 1 75 LEU MD2 1 79 GLU HB3 4.500 . 5.000 3.375 3.252 4.872 . 0 0 "[ . 1 . 2]" 1
955 1 75 LEU MD2 1 79 GLU QG 4.500 . 5.000 4.849 2.712 5.014 0.014 13 0 "[ . 1 . 2]" 1
956 1 75 LEU H 1 75 LEU MD1 4.500 . 5.000 4.209 3.775 4.349 . 0 0 "[ . 1 . 2]" 1
957 1 75 LEU H 1 75 LEU MD2 4.500 . 5.000 3.139 2.674 3.369 . 0 0 "[ . 1 . 2]" 1
958 1 75 LEU H 1 76 GLN HG3 4.500 . 5.000 4.890 4.233 5.004 0.004 9 0 "[ . 1 . 2]" 1
959 1 75 LEU H 1 76 GLN H 4.500 . 5.000 3.446 3.256 3.600 . 0 0 "[ . 1 . 2]" 1
960 1 76 GLN HA 1 77 VAL MG1 4.500 . 5.000 4.620 4.529 4.714 . 0 0 "[ . 1 . 2]" 1
961 1 76 GLN HB2 1 77 VAL H 4.500 . 5.000 3.163 2.779 3.275 . 0 0 "[ . 1 . 2]" 1
962 1 76 GLN HG2 1 77 VAL H 4.500 . 5.000 4.996 4.951 5.038 0.038 5 0 "[ . 1 . 2]" 1
963 1 76 GLN H 1 76 GLN HG2 4.500 . 5.000 3.501 3.394 3.620 . 0 0 "[ . 1 . 2]" 1
964 1 76 GLN H 1 77 VAL MG1 4.500 . 5.000 3.539 3.404 3.703 . 0 0 "[ . 1 . 2]" 1
965 1 77 VAL MG1 1 78 GLY HA3 4.500 . 5.000 4.155 4.081 4.680 . 0 0 "[ . 1 . 2]" 1
966 1 77 VAL MG1 1 78 GLY HA2 4.500 . 5.000 4.018 3.915 4.506 . 0 0 "[ . 1 . 2]" 1
967 1 77 VAL MG1 1 79 GLU HB3 4.500 . 5.000 3.016 2.867 3.250 . 0 0 "[ . 1 . 2]" 1
968 1 77 VAL MG2 1 78 GLY HA2 4.500 . 5.000 4.737 4.310 4.784 . 0 0 "[ . 1 . 2]" 1
969 1 77 VAL H 1 79 GLU H 4.500 . 5.000 4.551 4.459 4.867 . 0 0 "[ . 1 . 2]" 1
970 1 78 GLY HA3 1 94 LYS QE 4.500 . 5.000 4.735 4.172 5.009 0.009 8 0 "[ . 1 . 2]" 1
971 1 78 GLY HA2 1 94 LYS QE 4.500 . 5.000 4.740 4.133 5.013 0.013 3 0 "[ . 1 . 2]" 1
972 1 78 GLY H 1 79 GLU HB3 4.500 . 5.000 4.606 4.032 4.713 . 0 0 "[ . 1 . 2]" 1
973 1 79 GLU HB3 1 80 VAL H 4.500 . 5.000 3.051 2.973 3.859 . 0 0 "[ . 1 . 2]" 1
974 1 79 GLU H 1 79 GLU QG 4.500 . 5.000 4.107 2.670 4.197 . 0 0 "[ . 1 . 2]" 1
975 1 79 GLU H 1 95 ARG H 4.500 . 5.000 3.443 3.130 3.909 . 0 0 "[ . 1 . 2]" 1
976 1 7 ALA HA 1 8 ASP HA 4.500 . 5.000 4.784 4.673 4.822 . 0 0 "[ . 1 . 2]" 1
977 1 7 ALA HA 1 8 ASP QB 4.500 . 5.000 4.687 4.539 4.817 . 0 0 "[ . 1 . 2]" 1
978 1 7 ALA MB 1 11 LYS HD2 4.500 . 5.000 3.618 3.370 3.848 . 0 0 "[ . 1 . 2]" 1
979 1 7 ALA MB 1 11 LYS HG3 4.500 . 5.000 4.997 4.858 5.019 0.019 14 0 "[ . 1 . 2]" 1
980 1 7 ALA MB 1 8 ASP HA 4.500 . 5.000 4.247 4.136 4.391 . 0 0 "[ . 1 . 2]" 1
981 1 80 VAL HA 1 81 SER HA 4.500 . 5.000 4.362 4.348 4.369 . 0 0 "[ . 1 . 2]" 1
982 1 80 VAL HB 1 81 SER H 4.500 . 5.000 3.845 3.771 3.902 . 0 0 "[ . 1 . 2]" 1
983 1 80 VAL MG1 1 81 SER HA 4.500 . 5.000 3.888 3.797 3.985 . 0 0 "[ . 1 . 2]" 1
984 1 80 VAL MG1 1 81 SER QB 4.500 . 5.000 3.807 3.657 4.213 . 0 0 "[ . 1 . 2]" 1
985 1 80 VAL MG1 1 93 ILE HB 4.500 . 5.000 4.685 4.345 4.942 . 0 0 "[ . 1 . 2]" 1
986 1 80 VAL MG1 1 94 LYS HA 4.500 . 5.000 4.068 3.756 4.504 . 0 0 "[ . 1 . 2]" 1
987 1 80 VAL MG2 1 81 SER H 4.500 . 5.000 3.915 3.791 3.993 . 0 0 "[ . 1 . 2]" 1
988 1 80 VAL MG2 1 93 ILE H 4.500 . 5.000 4.830 4.582 5.013 0.013 10 0 "[ . 1 . 2]" 1
989 1 80 VAL MG2 1 94 LYS HA 4.500 . 5.000 3.314 2.869 3.733 . 0 0 "[ . 1 . 2]" 1
990 1 80 VAL H 1 80 VAL MG1 4.500 . 5.000 3.799 3.784 3.818 . 0 0 "[ . 1 . 2]" 1
991 1 80 VAL H 1 81 SER H 4.500 . 5.000 4.597 4.582 4.616 . 0 0 "[ . 1 . 2]" 1
992 1 81 SER HB3 1 93 ILE HB 4.500 . 5.000 3.591 2.098 4.628 . 0 0 "[ . 1 . 2]" 1
993 1 81 SER HB2 1 93 ILE HB 4.500 . 5.000 3.096 2.099 4.358 . 0 0 "[ . 1 . 2]" 1
994 1 81 SER QB 1 84 VAL MG2 4.500 . 5.000 3.361 2.906 3.930 . 0 0 "[ . 1 . 2]" 1
995 1 81 SER QB 1 92 VAL HA 4.500 . 5.000 4.398 3.804 4.753 . 0 0 "[ . 1 . 2]" 1
996 1 81 SER QB 1 92 VAL MG1 4.500 . 5.000 4.336 3.807 4.672 . 0 0 "[ . 1 . 2]" 1
997 1 81 SER QB 1 93 ILE HB 4.500 . 5.000 2.806 2.068 3.825 . 0 0 "[ . 1 . 2]" 1
998 1 81 SER QB 1 93 ILE MD 4.500 . 5.000 2.828 2.271 3.169 . 0 0 "[ . 1 . 2]" 1
999 1 81 SER QB 1 93 ILE MG 4.500 . 5.000 4.066 3.537 4.750 . 0 0 "[ . 1 . 2]" 1
1000 1 81 SER H 1 82 GLU H 4.500 . 5.000 4.529 4.510 4.537 . 0 0 "[ . 1 . 2]" 1
1001 1 81 SER H 1 92 VAL HA 4.500 . 5.000 4.453 4.059 4.784 . 0 0 "[ . 1 . 2]" 1
1002 1 81 SER H 1 93 ILE HA 4.500 . 5.000 4.781 4.527 4.946 . 0 0 "[ . 1 . 2]" 1
1003 1 81 SER H 1 93 ILE MD 4.500 . 5.000 4.695 4.245 5.004 0.004 19 0 "[ . 1 . 2]" 1
1004 1 81 SER H 1 93 ILE HG12 4.500 . 5.000 5.021 4.934 5.061 0.061 9 0 "[ . 1 . 2]" 1
1005 1 81 SER H 1 93 ILE H 4.500 . 5.000 2.700 2.207 2.959 . 0 0 "[ . 1 . 2]" 1
1006 1 81 SER H 1 94 LYS HA 4.500 . 5.000 4.249 3.996 4.617 . 0 0 "[ . 1 . 2]" 1
1007 1 82 GLU HB3 1 83 PRO HD3 4.500 . 5.000 3.624 3.517 4.334 . 0 0 "[ . 1 . 2]" 1
1008 1 82 GLU HB2 1 83 PRO HD3 4.500 . 5.000 4.634 3.185 4.859 . 0 0 "[ . 1 . 2]" 1
1009 1 82 GLU HB2 1 83 PRO HD2 4.500 . 5.000 3.352 1.731 3.605 0.069 10 0 "[ . 1 . 2]" 1
1010 1 82 GLU HG3 1 83 PRO HD3 4.500 . 5.000 4.684 4.407 4.954 . 0 0 "[ . 1 . 2]" 1
1011 1 82 GLU H 1 82 GLU HG3 4.500 . 5.000 2.499 2.127 2.784 . 0 0 "[ . 1 . 2]" 1
1012 1 82 GLU H 1 84 VAL MG2 4.500 . 5.000 4.321 4.175 4.450 . 0 0 "[ . 1 . 2]" 1
1013 1 83 PRO HA 1 84 VAL MG2 4.500 . 5.000 3.985 3.904 4.082 . 0 0 "[ . 1 . 2]" 1
1014 1 83 PRO HB3 1 90 TYR QD 4.500 . 5.000 3.166 2.708 4.597 . 0 0 "[ . 1 . 2]" 1
1015 1 84 VAL HB 1 85 LYS H 4.500 . 5.000 4.397 4.269 4.443 . 0 0 "[ . 1 . 2]" 1
1016 1 84 VAL HB 1 91 HIS HB3 4.500 . 5.000 3.666 3.363 3.909 . 0 0 "[ . 1 . 2]" 1
1017 1 84 VAL HB 1 91 HIS HB2 4.500 . 5.000 2.532 2.248 3.049 . 0 0 "[ . 1 . 2]" 1
1018 1 84 VAL HB 1 92 VAL H 4.500 . 5.000 4.935 4.772 5.015 0.015 20 0 "[ . 1 . 2]" 1
1019 1 84 VAL HB 1 93 ILE MD 4.500 . 5.000 3.899 3.485 4.317 . 0 0 "[ . 1 . 2]" 1
1020 1 84 VAL MG1 1 85 LYS H 4.500 . 5.000 3.187 2.854 3.282 . 0 0 "[ . 1 . 2]" 1
1021 1 84 VAL MG1 1 86 SER H 4.500 . 5.000 3.836 3.728 3.919 . 0 0 "[ . 1 . 2]" 1
1022 1 84 VAL MG1 1 90 TYR HA 4.500 . 5.000 5.008 4.874 5.047 0.047 10 0 "[ . 1 . 2]" 1
1023 1 84 VAL MG1 1 91 HIS HB3 4.500 . 5.000 4.266 4.031 4.600 . 0 0 "[ . 1 . 2]" 1
1024 1 84 VAL MG1 1 91 HIS HB2 4.500 . 5.000 3.046 2.779 3.296 . 0 0 "[ . 1 . 2]" 1
1025 1 84 VAL MG1 1 91 HIS HD1 4.500 . 5.000 3.836 3.121 4.724 . 0 0 "[ . 1 . 2]" 1
1026 1 84 VAL MG1 1 91 HIS H 4.500 . 5.000 3.862 3.740 3.995 . 0 0 "[ . 1 . 2]" 1
1027 1 84 VAL MG1 1 93 ILE MD 4.500 . 5.000 3.731 3.115 4.071 . 0 0 "[ . 1 . 2]" 1
1028 1 84 VAL MG2 1 85 LYS H 4.500 . 5.000 4.182 4.083 4.228 . 0 0 "[ . 1 . 2]" 1
1029 1 84 VAL MG2 1 91 HIS HB3 4.500 . 5.000 4.828 4.499 5.012 0.012 7 0 "[ . 1 . 2]" 1
1030 1 84 VAL MG2 1 91 HIS H 4.500 . 5.000 5.009 4.923 5.036 0.036 10 0 "[ . 1 . 2]" 1
1031 1 84 VAL MG2 1 92 VAL HA 4.500 . 5.000 4.228 3.969 4.450 . 0 0 "[ . 1 . 2]" 1
1032 1 84 VAL MG2 1 93 ILE HG13 4.500 . 5.000 3.478 2.893 3.740 . 0 0 "[ . 1 . 2]" 1
1033 1 84 VAL H 1 84 VAL MG1 4.500 . 5.000 3.806 3.792 3.820 . 0 0 "[ . 1 . 2]" 1
1034 1 84 VAL H 1 84 VAL MG2 4.500 . 5.000 2.582 2.495 2.675 . 0 0 "[ . 1 . 2]" 1
1035 1 84 VAL H 1 85 LYS H 4.500 . 5.000 4.193 4.124 4.376 . 0 0 "[ . 1 . 2]" 1
1036 1 84 VAL H 1 91 HIS HB3 4.500 . 5.000 4.928 4.714 5.020 0.020 15 0 "[ . 1 . 2]" 1
1037 1 84 VAL H 1 91 HIS H 4.500 . 5.000 3.829 3.659 3.942 . 0 0 "[ . 1 . 2]" 1
1038 1 84 VAL H 1 92 VAL HA 4.500 . 5.000 3.785 3.575 3.950 . 0 0 "[ . 1 . 2]" 1
1039 1 85 LYS HA 1 85 LYS QD 4.500 . 5.000 2.847 2.128 3.626 . 0 0 "[ . 1 . 2]" 1
1040 1 85 LYS HA 1 90 TYR H 4.500 . 5.000 4.151 3.984 4.367 . 0 0 "[ . 1 . 2]" 1
1041 1 85 LYS HA 1 91 HIS H 4.500 . 5.000 2.624 2.467 2.804 . 0 0 "[ . 1 . 2]" 1
1042 1 85 LYS HB3 1 86 SER H 4.500 . 5.000 4.307 4.153 4.431 . 0 0 "[ . 1 . 2]" 1
1043 1 85 LYS HB3 1 90 TYR QE 4.500 . 5.000 3.638 2.804 3.987 . 0 0 "[ . 1 . 2]" 1
1044 1 85 LYS HB2 1 86 SER H 4.500 . 5.000 4.363 3.567 4.504 . 0 0 "[ . 1 . 2]" 1
1045 1 85 LYS HB2 1 90 TYR QE 4.500 . 5.000 2.736 1.887 3.197 . 0 0 "[ . 1 . 2]" 1
1046 1 85 LYS QB 1 86 SER H 4.500 . 5.000 3.849 3.424 3.895 . 0 0 "[ . 1 . 2]" 1
1047 1 85 LYS HD3 1 86 SER H 4.500 . 5.000 3.339 2.512 3.905 . 0 0 "[ . 1 . 2]" 1
1048 1 85 LYS HD2 1 86 SER H 4.500 . 5.000 3.736 2.351 5.007 0.007 3 0 "[ . 1 . 2]" 1
1049 1 85 LYS QD 1 86 SER H 4.500 . 5.000 2.925 2.318 3.757 . 0 0 "[ . 1 . 2]" 1
1050 1 85 LYS QD 1 90 TYR QE 4.500 . 5.000 4.001 3.182 4.603 . 0 0 "[ . 1 . 2]" 1
1051 1 85 LYS QE 1 90 TYR QE 4.500 . 5.000 3.755 2.834 4.611 . 0 0 "[ . 1 . 2]" 1
1052 1 85 LYS QG 1 86 SER H 4.500 . 5.000 3.474 2.995 4.431 . 0 0 "[ . 1 . 2]" 1
1053 1 85 LYS H 1 85 LYS QD 4.500 . 5.000 4.268 3.916 4.399 . 0 0 "[ . 1 . 2]" 1
1054 1 86 SER HB3 1 88 PHE QD 4.500 . 5.000 4.478 3.234 5.005 0.005 2 0 "[ . 1 . 2]" 1
1055 1 86 SER HB2 1 88 PHE QD 4.500 . 5.000 4.544 3.698 5.011 0.011 18 0 "[ . 1 . 2]" 1
1056 1 86 SER QB 1 88 PHE QD 4.500 . 5.000 3.917 3.175 4.374 . 0 0 "[ . 1 . 2]" 1
1057 1 86 SER QB 1 91 HIS HD1 4.500 . 5.000 2.783 1.997 3.380 . 0 0 "[ . 1 . 2]" 1
1058 1 86 SER H 1 89 GLY HA3 4.500 . 5.000 4.662 4.600 4.736 . 0 0 "[ . 1 . 2]" 1
1059 1 86 SER H 1 89 GLY HA2 4.500 . 5.000 4.094 3.922 4.252 . 0 0 "[ . 1 . 2]" 1
1060 1 86 SER H 1 89 GLY H 4.500 . 5.000 2.755 2.648 2.842 . 0 0 "[ . 1 . 2]" 1
1061 1 87 GLU HG3 1 88 PHE QD 4.500 . 5.000 3.140 2.370 4.164 . 0 0 "[ . 1 . 2]" 1
1062 1 87 GLU HG2 1 88 PHE HA 4.500 . 5.000 4.329 3.692 4.775 . 0 0 "[ . 1 . 2]" 1
1063 1 87 GLU HG2 1 88 PHE QD 4.500 . 5.000 2.870 2.010 3.750 . 0 0 "[ . 1 . 2]" 1
1064 1 87 GLU H 1 88 PHE H 4.500 . 5.000 2.694 2.653 2.768 . 0 0 "[ . 1 . 2]" 1
1065 1 89 GLY HA2 1 90 TYR HB3 5.200 . 5.700 5.793 5.752 5.848 0.148 7 0 "[ . 1 . 2]" 1
1066 1 89 GLY HA2 1 90 TYR QD 4.500 . 5.000 4.281 4.022 4.726 . 0 0 "[ . 1 . 2]" 1
1067 1 89 GLY H 1 90 TYR H 4.500 . 5.000 4.411 4.382 4.454 . 0 0 "[ . 1 . 2]" 1
1068 1 8 ASP HB3 1 9 LYS H 4.500 . 5.000 3.335 2.699 3.862 . 0 0 "[ . 1 . 2]" 1
1069 1 8 ASP HB2 1 9 LYS H 4.500 . 5.000 3.362 2.440 4.132 . 0 0 "[ . 1 . 2]" 1
1070 1 8 ASP QB 1 9 LYS HA 4.500 . 5.000 4.017 3.898 4.293 . 0 0 "[ . 1 . 2]" 1
1071 1 8 ASP QB 1 9 LYS HD3 4.500 . 5.000 3.752 2.463 5.038 0.038 7 0 "[ . 1 . 2]" 1
1072 1 90 TYR HA 1 91 HIS HD1 4.500 . 5.000 3.826 3.212 5.006 0.006 18 0 "[ . 1 . 2]" 1
1073 1 90 TYR HB3 1 91 HIS H 4.500 . 5.000 4.022 3.896 4.142 . 0 0 "[ . 1 . 2]" 1
1074 1 90 TYR HB2 1 91 HIS H 4.500 . 5.000 4.608 4.408 4.645 . 0 0 "[ . 1 . 2]" 1
1075 1 90 TYR H 1 91 HIS H 4.500 . 5.000 4.208 4.166 4.343 . 0 0 "[ . 1 . 2]" 1
1076 1 91 HIS HB3 1 92 VAL H 4.500 . 5.000 2.304 2.216 2.618 . 0 0 "[ . 1 . 2]" 1
1077 1 91 HIS H 1 92 VAL H 4.500 . 5.000 4.552 4.530 4.579 . 0 0 "[ . 1 . 2]" 1
1078 1 92 VAL HA 1 93 ILE MD 4.500 . 5.000 4.647 4.500 4.894 . 0 0 "[ . 1 . 2]" 1
1079 1 92 VAL MG2 1 93 ILE H 4.500 . 5.000 4.049 3.955 4.155 . 0 0 "[ . 1 . 2]" 1
1080 1 92 VAL H 1 93 ILE HG12 4.500 . 5.000 4.003 3.781 4.205 . 0 0 "[ . 1 . 2]" 1
1081 1 93 ILE HA 1 93 ILE MD 4.500 . 5.000 3.946 3.788 4.091 . 0 0 "[ . 1 . 2]" 1
1082 1 93 ILE MG 1 94 LYS HA 4.500 . 5.000 4.405 4.084 4.715 . 0 0 "[ . 1 . 2]" 1
1083 1 93 ILE H 1 93 ILE MG 4.500 . 5.000 3.905 3.789 3.978 . 0 0 "[ . 1 . 2]" 1
1084 1 93 ILE H 1 94 LYS H 4.500 . 5.000 4.269 4.182 4.401 . 0 0 "[ . 1 . 2]" 1
1085 1 94 LYS HA 1 94 LYS QE 4.500 . 5.000 4.218 3.996 4.606 . 0 0 "[ . 1 . 2]" 1
1086 1 94 LYS HA 1 95 ARG HA 4.500 . 5.000 4.396 4.377 4.417 . 0 0 "[ . 1 . 2]" 1
1087 1 94 LYS HB3 1 94 LYS QE 4.500 . 5.000 4.093 3.094 4.626 . 0 0 "[ . 1 . 2]" 1
1088 1 94 LYS QE 1 95 ARG H 4.500 . 5.000 4.430 3.942 5.002 0.002 9 0 "[ . 1 . 2]" 1
1089 1 95 ARG HA 1 96 LEU MD2 4.500 . 5.000 5.009 4.791 5.037 0.037 17 0 "[ . 1 . 2]" 1
1090 1 95 ARG HA 1 96 LEU HG 4.500 . 5.000 4.782 4.620 4.837 . 0 0 "[ . 1 . 2]" 1
1091 1 95 ARG QB 1 96 LEU H 4.500 . 5.000 3.482 3.359 3.677 . 0 0 "[ . 1 . 2]" 1
1092 1 95 ARG H 1 95 ARG HG3 4.500 . 5.000 4.086 3.562 4.602 . 0 0 "[ . 1 . 2]" 1
1093 1 95 ARG H 1 95 ARG HG2 4.500 . 5.000 4.261 3.898 4.613 . 0 0 "[ . 1 . 2]" 1
1094 1 95 ARG H 1 95 ARG QG 4.500 . 5.000 3.700 3.351 4.020 . 0 0 "[ . 1 . 2]" 1
1095 1 96 LEU HA 1 96 LEU MD1 4.500 . 5.000 3.254 3.201 3.350 . 0 0 "[ . 1 . 2]" 1
1096 1 96 LEU HB2 1 97 GLY H 4.500 . 5.000 3.682 3.658 3.729 . 0 0 "[ . 1 . 2]" 1
1097 1 96 LEU MD1 1 97 GLY HA2 4.500 . 5.000 2.564 2.548 2.589 . 0 0 "[ . 1 . 2]" 1
1098 1 96 LEU HG 1 97 GLY HA3 4.500 . 5.000 5.001 4.979 5.010 0.010 15 0 "[ . 1 . 2]" 1
1099 1 96 LEU HG 1 97 GLY H 4.500 . 5.000 4.446 4.429 4.473 . 0 0 "[ . 1 . 2]" 1
1100 1 96 LEU H 1 96 LEU MD1 4.500 . 5.000 4.054 3.990 4.079 . 0 0 "[ . 1 . 2]" 1
1101 1 96 LEU H 1 96 LEU MD2 4.500 . 5.000 4.107 3.932 4.181 . 0 0 "[ . 1 . 2]" 1
1102 1 96 LEU H 1 97 GLY HA2 4.500 . 5.000 4.811 4.784 4.830 . 0 0 "[ . 1 . 2]" 1
1103 1 9 LYS HA 1 60 GLY HA3 4.500 . 5.000 3.716 3.585 3.897 . 0 0 "[ . 1 . 2]" 1
1104 1 9 LYS HA 1 60 GLY HA2 4.500 . 5.000 2.689 2.321 3.014 . 0 0 "[ . 1 . 2]" 1
1105 1 9 LYS HB3 1 10 ILE H 4.500 . 5.000 2.606 2.032 3.845 . 0 0 "[ . 1 . 2]" 1
1106 1 9 LYS HB3 1 58 TYR HB2 4.500 . 5.000 3.178 2.616 4.396 . 0 0 "[ . 1 . 2]" 1
1107 1 9 LYS HB3 1 58 TYR QD 4.500 . 5.000 4.514 4.012 5.047 0.047 7 0 "[ . 1 . 2]" 1
1108 1 9 LYS HB3 1 60 GLY H 4.500 . 5.000 4.390 4.022 4.719 . 0 0 "[ . 1 . 2]" 1
1109 1 9 LYS HB2 1 58 TYR HB2 4.500 . 5.000 3.009 2.330 4.439 . 0 0 "[ . 1 . 2]" 1
1110 1 9 LYS HD2 1 58 TYR HB3 4.500 . 5.000 4.274 2.846 5.087 0.087 4 0 "[ . 1 . 2]" 1
1111 1 9 LYS HD2 1 58 TYR HB2 4.500 . 5.000 4.137 1.784 5.056 0.056 3 0 "[ . 1 . 2]" 1
1112 1 9 LYS QE 1 58 TYR HB3 4.500 . 5.000 4.706 2.965 5.084 0.084 11 0 "[ . 1 . 2]" 1
1113 1 9 LYS HG3 1 10 ILE H 4.500 . 5.000 3.705 3.549 3.881 . 0 0 "[ . 1 . 2]" 1
1114 1 9 LYS HG3 1 59 PHE HA 4.500 . 5.000 3.109 2.644 3.544 . 0 0 "[ . 1 . 2]" 1
1115 1 9 LYS HG3 1 59 PHE HB3 4.500 . 5.000 4.926 4.677 5.066 0.066 9 0 "[ . 1 . 2]" 1
1116 1 9 LYS HG3 1 60 GLY HA2 4.500 . 5.000 3.290 2.472 4.517 . 0 0 "[ . 1 . 2]" 1
1117 1 9 LYS HG2 1 60 GLY HA3 4.500 . 5.000 4.575 3.975 5.137 0.137 12 0 "[ . 1 . 2]" 1
1118 1 9 LYS HG2 1 60 GLY HA2 4.500 . 5.000 4.629 4.160 5.034 0.034 11 0 "[ . 1 . 2]" 1
1119 1 9 LYS HG2 1 60 GLY H 4.500 . 5.000 4.267 3.645 4.960 . 0 0 "[ . 1 . 2]" 1
1120 1 9 LYS H 1 10 ILE H 4.500 . 5.000 4.526 4.466 4.564 . 0 0 "[ . 1 . 2]" 1
1121 1 10 ILE HB 1 12 CYS HA 5.200 . 5.700 5.752 5.682 5.832 0.132 3 0 "[ . 1 . 2]" 1
1122 1 10 ILE HB 1 12 CYS HB3 5.200 . 5.700 4.948 3.398 5.701 0.001 9 0 "[ . 1 . 2]" 1
1123 1 10 ILE HB 1 64 MET ME 5.200 . 5.700 3.872 3.475 4.637 . 0 0 "[ . 1 . 2]" 1
1124 1 10 ILE HB 1 73 PHE HA 5.200 . 5.700 4.779 4.300 5.294 . 0 0 "[ . 1 . 2]" 1
1125 1 10 ILE MD 1 12 CYS H 5.200 . 5.700 5.594 5.299 5.850 0.150 12 0 "[ . 1 . 2]" 1
1126 1 10 ILE MD 1 72 ALA H 5.200 . 5.700 4.361 4.020 5.545 . 0 0 "[ . 1 . 2]" 1
1127 1 10 ILE MD 1 75 LEU H 5.200 . 5.700 5.348 4.979 5.713 0.013 9 0 "[ . 1 . 2]" 1
1128 1 10 ILE MD 1 76 GLN HG3 5.200 . 5.700 5.638 4.898 5.721 0.021 1 0 "[ . 1 . 2]" 1
1129 1 10 ILE HG12 1 64 MET ME 5.200 . 5.700 5.236 4.540 5.706 0.006 6 0 "[ . 1 . 2]" 1
1130 1 10 ILE MG 1 75 LEU H 5.200 . 5.700 4.811 4.590 5.148 . 0 0 "[ . 1 . 2]" 1
1131 1 10 ILE H 1 11 LYS HA 5.200 . 5.700 4.888 4.749 5.045 . 0 0 "[ . 1 . 2]" 1
1132 1 10 ILE H 1 12 CYS H 5.200 . 5.700 5.659 5.493 5.744 0.044 6 0 "[ . 1 . 2]" 1
1133 1 10 ILE H 1 58 TYR HB3 5.200 . 5.700 4.598 4.181 5.779 0.079 9 0 "[ . 1 . 2]" 1
1134 1 10 ILE H 1 60 GLY HA2 5.200 . 5.700 3.474 2.747 3.699 . 0 0 "[ . 1 . 2]" 1
1135 1 11 LYS HA 1 11 LYS HD3 5.200 . 5.700 4.489 4.420 4.560 . 0 0 "[ . 1 . 2]" 1
1136 1 11 LYS HA 1 58 TYR H 5.200 . 5.700 3.826 3.486 4.144 . 0 0 "[ . 1 . 2]" 1
1137 1 11 LYS HB3 1 57 GLY HA3 5.200 . 5.700 4.548 4.036 4.781 . 0 0 "[ . 1 . 2]" 1
1138 1 11 LYS HB3 1 58 TYR HA 5.200 . 5.700 3.963 3.024 4.314 . 0 0 "[ . 1 . 2]" 1
1139 1 11 LYS HB3 1 58 TYR H 5.200 . 5.700 3.953 2.918 4.347 . 0 0 "[ . 1 . 2]" 1
1140 1 11 LYS HB2 1 58 TYR H 5.200 . 5.700 5.427 4.616 5.719 0.019 17 0 "[ . 1 . 2]" 1
1141 1 11 LYS HB2 1 96 LEU MD1 5.200 . 5.700 4.271 4.084 4.552 . 0 0 "[ . 1 . 2]" 1
1142 1 11 LYS HD3 1 97 GLY HA3 5.200 . 5.700 2.139 1.907 2.653 . 0 0 "[ . 1 . 2]" 1
1143 1 11 LYS HE3 1 97 GLY H 5.200 . 5.700 5.550 5.028 5.707 0.007 4 0 "[ . 1 . 2]" 1
1144 1 11 LYS HE2 1 97 GLY H 5.200 . 5.700 4.407 4.223 4.509 . 0 0 "[ . 1 . 2]" 1
1145 1 11 LYS QE 1 57 GLY HA3 5.200 . 5.700 5.720 5.711 5.731 0.031 4 0 "[ . 1 . 2]" 1
1146 1 12 CYS HA 1 95 ARG H 5.200 . 5.700 4.312 4.205 4.483 . 0 0 "[ . 1 . 2]" 1
1147 1 12 CYS HB3 1 72 ALA MB 5.200 . 5.700 4.420 3.600 5.460 . 0 0 "[ . 1 . 2]" 1
1148 1 12 CYS HB3 1 93 ILE MD 5.200 . 5.700 5.208 4.961 5.610 . 0 0 "[ . 1 . 2]" 1
1149 1 12 CYS HB2 1 56 LEU MD1 5.200 . 5.700 3.847 2.975 4.576 . 0 0 "[ . 1 . 2]" 1
1150 1 12 CYS HB2 1 72 ALA MB 5.200 . 5.700 3.989 3.454 4.612 . 0 0 "[ . 1 . 2]" 1
1151 1 12 CYS H 1 56 LEU HB2 5.200 . 5.700 3.013 2.621 3.467 . 0 0 "[ . 1 . 2]" 1
1152 1 12 CYS H 1 96 LEU HG 5.200 . 5.700 4.423 4.090 4.897 . 0 0 "[ . 1 . 2]" 1
1153 1 12 CYS H 1 96 LEU H 5.200 . 5.700 4.032 3.951 4.107 . 0 0 "[ . 1 . 2]" 1
1154 1 13 SER QB 1 55 SER H 5.200 . 5.700 4.796 4.045 5.634 . 0 0 "[ . 1 . 2]" 1
1155 1 13 SER H 1 56 LEU HB3 5.200 . 5.700 5.737 5.709 5.771 0.071 9 0 "[ . 1 . 2]" 1
1156 1 13 SER H 1 56 LEU MD1 5.200 . 5.700 3.905 3.077 4.476 . 0 0 "[ . 1 . 2]" 1
1157 1 13 SER H 1 56 LEU HG 5.200 . 5.700 4.476 3.864 5.065 . 0 0 "[ . 1 . 2]" 1
1158 1 13 SER H 1 57 GLY H 5.200 . 5.700 5.705 5.567 5.735 0.035 18 0 "[ . 1 . 2]" 1
1159 1 14 HIS HA 1 15 ILE HB 5.200 . 5.700 4.255 4.084 4.427 . 0 0 "[ . 1 . 2]" 1
1160 1 14 HIS HA 1 15 ILE HG12 5.200 . 5.700 5.741 5.707 5.789 0.089 1 0 "[ . 1 . 2]" 1
1161 1 14 HIS HA 1 92 VAL H 5.200 . 5.700 3.815 3.615 4.066 . 0 0 "[ . 1 . 2]" 1
1162 1 14 HIS H 1 55 SER H 5.200 . 5.700 5.118 4.762 5.435 . 0 0 "[ . 1 . 2]" 1
1163 1 14 HIS H 1 56 LEU HB3 5.200 . 5.700 5.675 5.538 5.732 0.032 1 0 "[ . 1 . 2]" 1
1164 1 14 HIS H 1 56 LEU HB2 5.200 . 5.700 4.661 4.215 5.062 . 0 0 "[ . 1 . 2]" 1
1165 1 15 ILE HA 1 40 ALA MB 5.200 . 5.700 4.676 4.272 4.894 . 0 0 "[ . 1 . 2]" 1
1166 1 15 ILE HA 1 44 SER H 5.200 . 5.700 5.465 4.917 5.722 0.022 5 0 "[ . 1 . 2]" 1
1167 1 15 ILE MD 1 36 PHE HB2 5.200 . 5.700 3.050 2.447 4.798 . 0 0 "[ . 1 . 2]" 1
1168 1 15 ILE MD 1 36 PHE QD 5.200 . 5.700 4.085 2.505 4.655 . 0 0 "[ . 1 . 2]" 1
1169 1 15 ILE MD 1 44 SER HB2 5.200 . 5.700 4.733 3.994 5.121 . 0 0 "[ . 1 . 2]" 1
1170 1 15 ILE MD 1 56 LEU MD1 5.200 . 5.700 5.314 4.852 5.715 0.015 1 0 "[ . 1 . 2]" 1
1171 1 15 ILE HG13 1 16 LEU H 5.200 . 5.700 4.098 3.528 4.331 . 0 0 "[ . 1 . 2]" 1
1172 1 15 ILE HG13 1 39 LEU H 5.200 . 5.700 5.716 5.539 5.750 0.050 18 0 "[ . 1 . 2]" 1
1173 1 15 ILE HG13 1 44 SER HB3 5.200 . 5.700 4.050 3.467 4.405 . 0 0 "[ . 1 . 2]" 1
1174 1 15 ILE HG13 1 44 SER H 5.200 . 5.700 4.986 4.282 5.440 . 0 0 "[ . 1 . 2]" 1
1175 1 15 ILE HG12 1 44 SER HB2 5.200 . 5.700 3.810 3.306 4.338 . 0 0 "[ . 1 . 2]" 1
1176 1 15 ILE MG 1 45 ILE MG 5.200 . 5.700 5.273 4.551 5.717 0.017 6 0 "[ . 1 . 2]" 1
1177 1 15 ILE H 1 15 ILE HG13 5.200 . 5.700 4.061 3.912 4.413 . 0 0 "[ . 1 . 2]" 1
1178 1 15 ILE H 1 16 LEU H 5.200 . 5.700 4.117 3.955 4.440 . 0 0 "[ . 1 . 2]" 1
1179 1 15 ILE H 1 93 ILE HA 5.200 . 5.700 4.503 4.166 4.696 . 0 0 "[ . 1 . 2]" 1
1180 1 16 LEU HB2 1 45 ILE HG13 5.200 . 5.700 3.182 2.614 3.603 . 0 0 "[ . 1 . 2]" 1
1181 1 16 LEU HB2 1 46 ASP HB3 5.200 . 5.700 2.911 2.182 3.682 . 0 0 "[ . 1 . 2]" 1
1182 1 16 LEU MD1 1 45 ILE HG13 5.200 . 5.700 4.026 3.773 4.513 . 0 0 "[ . 1 . 2]" 1
1183 1 16 LEU MD1 1 45 ILE MG 5.200 . 5.700 5.538 4.710 5.785 0.085 16 0 "[ . 1 . 2]" 1
1184 1 16 LEU MD1 1 45 ILE H 5.200 . 5.700 4.957 4.493 5.171 . 0 0 "[ . 1 . 2]" 1
1185 1 16 LEU MD1 1 91 HIS HB2 5.200 . 5.700 4.427 3.401 5.531 . 0 0 "[ . 1 . 2]" 1
1186 1 16 LEU MD2 1 45 ILE HG13 5.200 . 5.700 3.507 1.972 4.676 . 0 0 "[ . 1 . 2]" 1
1187 1 16 LEU MD2 1 45 ILE MG 5.200 . 5.700 5.118 4.261 5.830 0.130 11 0 "[ . 1 . 2]" 1
1188 1 16 LEU MD2 1 45 ILE H 5.200 . 5.700 4.653 4.175 5.086 . 0 0 "[ . 1 . 2]" 1
1189 1 16 LEU MD2 1 91 HIS HB2 5.200 . 5.700 4.661 3.787 5.714 0.014 17 0 "[ . 1 . 2]" 1
1190 1 16 LEU HG 1 46 ASP HB3 5.200 . 5.700 4.883 1.939 5.738 0.038 15 0 "[ . 1 . 2]" 1
1191 1 16 LEU H 1 44 SER H 5.200 . 5.700 5.305 4.826 5.718 0.018 5 0 "[ . 1 . 2]" 1
1192 1 16 LEU QD 1 90 TYR HB2 5.200 . 5.700 3.808 3.330 4.260 . 0 0 "[ . 1 . 2]" 1
1193 1 16 LEU QD 1 91 HIS HB3 5.200 . 5.700 3.712 2.788 4.357 . 0 0 "[ . 1 . 2]" 1
1194 1 16 LEU QD 1 92 VAL H 5.200 . 5.700 4.085 3.089 4.746 . 0 0 "[ . 1 . 2]" 1
1195 1 17 VAL HA 1 18 LYS HB3 5.200 . 5.700 5.513 4.704 5.719 0.019 1 0 "[ . 1 . 2]" 1
1196 1 17 VAL HA 1 18 LYS HB2 5.200 . 5.700 4.640 4.226 5.721 0.021 5 0 "[ . 1 . 2]" 1
1197 1 17 VAL HB 1 45 ILE MG 5.200 . 5.700 4.276 3.645 5.078 . 0 0 "[ . 1 . 2]" 1
1198 1 17 VAL MG1 1 19 LYS HG2 5.200 . 5.700 5.063 3.804 5.773 0.073 8 0 "[ . 1 . 2]" 1
1199 1 17 VAL MG1 1 44 SER HB2 5.200 . 5.700 4.477 4.016 4.910 . 0 0 "[ . 1 . 2]" 1
1200 1 17 VAL MG2 1 90 TYR HA 5.200 . 5.700 5.086 4.932 5.273 . 0 0 "[ . 1 . 2]" 1
1201 1 17 VAL MG2 1 91 HIS HA 5.200 . 5.700 4.991 4.609 5.296 . 0 0 "[ . 1 . 2]" 1
1202 1 17 VAL H 1 23 ALA HA 5.200 . 5.700 5.740 5.717 5.772 0.072 3 0 "[ . 1 . 2]" 1
1203 1 18 LYS HA 1 18 LYS QE 5.200 . 5.700 4.392 2.836 5.309 . 0 0 "[ . 1 . 2]" 1
1204 1 18 LYS HA 1 90 TYR HB2 5.200 . 5.700 3.581 3.374 3.937 . 0 0 "[ . 1 . 2]" 1
1205 1 18 LYS HB3 1 19 LYS H 5.200 . 5.700 3.656 3.196 4.223 . 0 0 "[ . 1 . 2]" 1
1206 1 18 LYS HB3 1 45 ILE MD 5.200 . 5.700 4.482 2.920 5.057 . 0 0 "[ . 1 . 2]" 1
1207 1 18 LYS HB2 1 45 ILE MD 5.200 . 5.700 3.993 3.355 4.731 . 0 0 "[ . 1 . 2]" 1
1208 1 18 LYS QG 1 45 ILE MG 5.200 . 5.700 4.185 2.870 5.150 . 0 0 "[ . 1 . 2]" 1
1209 1 18 LYS H 1 18 LYS HE3 5.200 . 5.700 4.659 2.933 5.379 . 0 0 "[ . 1 . 2]" 1
1210 1 18 LYS H 1 18 LYS HE2 5.200 . 5.700 4.872 3.694 5.706 0.006 17 0 "[ . 1 . 2]" 1
1211 1 18 LYS H 1 45 ILE H 5.200 . 5.700 5.404 5.067 5.626 . 0 0 "[ . 1 . 2]" 1
1212 1 18 LYS H 1 90 TYR H 5.200 . 5.700 5.293 4.961 5.603 . 0 0 "[ . 1 . 2]" 1
1213 1 19 LYS HA 1 19 LYS HD3 5.200 . 5.700 4.254 1.922 5.358 . 0 0 "[ . 1 . 2]" 1
1214 1 19 LYS HA 1 19 LYS HD2 5.200 . 5.700 4.366 2.256 5.309 . 0 0 "[ . 1 . 2]" 1
1215 1 19 LYS HB2 1 19 LYS HE3 5.200 . 5.700 4.297 2.636 5.437 . 0 0 "[ . 1 . 2]" 1
1216 1 19 LYS HB2 1 19 LYS HE2 5.200 . 5.700 4.323 3.318 5.262 . 0 0 "[ . 1 . 2]" 1
1217 1 20 GLN HA 1 22 GLU HB3 5.200 . 5.700 5.800 5.717 5.858 0.158 16 0 "[ . 1 . 2]" 1
1218 1 20 GLN H 1 23 ALA H 5.200 . 5.700 4.948 4.814 5.093 . 0 0 "[ . 1 . 2]" 1
1219 1 21 GLY HA2 1 22 GLU HB3 5.200 . 5.700 5.637 5.523 5.685 . 0 0 "[ . 1 . 2]" 1
1220 1 21 GLY HA2 1 22 GLU HG3 5.200 . 5.700 5.780 5.755 5.849 0.149 8 0 "[ . 1 . 2]" 1
1221 1 21 GLY HA2 1 23 ALA H 5.200 . 5.700 4.325 4.246 4.438 . 0 0 "[ . 1 . 2]" 1
1222 1 21 GLY HA2 1 25 ALA H 5.200 . 5.700 4.840 4.735 4.918 . 0 0 "[ . 1 . 2]" 1
1223 1 22 GLU HA 1 24 LEU H 5.200 . 5.700 4.002 3.830 4.105 . 0 0 "[ . 1 . 2]" 1
1224 1 22 GLU HA 1 26 VAL MG2 5.200 . 5.700 5.108 4.799 5.439 . 0 0 "[ . 1 . 2]" 1
1225 1 22 GLU HB3 1 26 VAL H 5.200 . 5.700 5.554 5.314 5.723 0.023 8 0 "[ . 1 . 2]" 1
1226 1 22 GLU HB2 1 26 VAL MG2 5.200 . 5.700 4.996 4.633 5.538 . 0 0 "[ . 1 . 2]" 1
1227 1 22 GLU H 1 26 VAL MG1 5.200 . 5.700 4.952 4.779 5.425 . 0 0 "[ . 1 . 2]" 1
1228 1 23 ALA HA 1 27 GLN H 5.200 . 5.700 4.370 4.064 4.630 . 0 0 "[ . 1 . 2]" 1
1229 1 23 ALA MB 1 26 VAL H 5.200 . 5.700 4.834 4.706 5.070 . 0 0 "[ . 1 . 2]" 1
1230 1 24 LEU MD1 1 27 GLN H 5.200 . 5.700 4.808 4.160 5.045 . 0 0 "[ . 1 . 2]" 1
1231 1 24 LEU MD2 1 27 GLN HB2 5.200 . 5.700 5.318 4.050 5.712 0.012 10 0 "[ . 1 . 2]" 1
1232 1 24 LEU MD2 1 27 GLN HG3 5.200 . 5.700 4.796 3.231 5.556 . 0 0 "[ . 1 . 2]" 1
1233 1 25 ALA H 1 26 VAL HA 5.200 . 5.700 5.123 5.033 5.484 . 0 0 "[ . 1 . 2]" 1
1234 1 25 ALA H 1 28 GLU H 5.200 . 5.700 5.163 4.755 5.535 . 0 0 "[ . 1 . 2]" 1
1235 1 26 VAL HA 1 80 VAL MG2 5.200 . 5.700 5.717 5.646 5.745 0.045 19 0 "[ . 1 . 2]" 1
1236 1 26 VAL HB 1 27 GLN H 5.200 . 5.700 3.949 3.677 4.061 . 0 0 "[ . 1 . 2]" 1
1237 1 26 VAL HB 1 39 LEU MD2 5.200 . 5.700 4.461 3.980 4.800 . 0 0 "[ . 1 . 2]" 1
1238 1 26 VAL MG1 1 27 GLN HA 5.200 . 5.700 5.336 5.286 5.388 . 0 0 "[ . 1 . 2]" 1
1239 1 26 VAL MG1 1 29 ARG H 5.200 . 5.700 4.957 4.882 5.027 . 0 0 "[ . 1 . 2]" 1
1240 1 26 VAL MG2 1 30 LEU H 5.200 . 5.700 4.406 4.298 4.646 . 0 0 "[ . 1 . 2]" 1
1241 1 26 VAL H 1 27 GLN HG3 5.200 . 5.700 5.593 4.236 5.745 0.045 6 0 "[ . 1 . 2]" 1
1242 1 26 VAL H 1 29 ARG HG2 5.200 . 5.700 5.737 5.718 5.749 0.049 10 0 "[ . 1 . 2]" 1
1243 1 27 GLN HA 1 80 VAL MG1 5.200 . 5.700 1.923 1.859 2.016 . 0 0 "[ . 1 . 2]" 1
1244 1 27 GLN HE21 1 80 VAL MG2 5.200 . 5.700 5.358 5.026 5.704 0.004 6 0 "[ . 1 . 2]" 1
1245 1 27 GLN HE21 1 81 SER H 5.200 . 5.700 5.406 4.792 5.708 0.008 7 0 "[ . 1 . 2]" 1
1246 1 27 GLN HE21 1 82 GLU H 5.200 . 5.700 5.227 4.208 5.705 0.005 15 0 "[ . 1 . 2]" 1
1247 1 27 GLN HE21 1 83 PRO HD3 5.200 . 5.700 3.210 2.436 4.416 . 0 0 "[ . 1 . 2]" 1
1248 1 27 GLN HG3 1 28 GLU H 5.200 . 5.700 2.012 1.773 3.975 0.027 11 0 "[ . 1 . 2]" 1
1249 1 27 GLN H 1 27 GLN HE21 5.200 . 5.700 4.206 3.480 5.501 . 0 0 "[ . 1 . 2]" 1
1250 1 28 GLU H 1 29 ARG HB2 5.200 . 5.700 4.605 4.331 5.718 0.018 1 0 "[ . 1 . 2]" 1
1251 1 28 GLU H 1 31 LYS H 5.200 . 5.700 5.541 5.119 5.678 . 0 0 "[ . 1 . 2]" 1
1252 1 29 ARG HA 1 30 LEU HA 5.200 . 5.700 4.861 4.765 4.882 . 0 0 "[ . 1 . 2]" 1
1253 1 29 ARG HG3 1 32 ALA H 5.200 . 5.700 4.641 4.099 5.030 . 0 0 "[ . 1 . 2]" 1
1254 1 29 ARG HG2 1 32 ALA MB 5.200 . 5.700 4.447 4.204 4.854 . 0 0 "[ . 1 . 2]" 1
1255 1 29 ARG H 1 29 ARG HG3 5.200 . 5.700 4.461 4.320 4.550 . 0 0 "[ . 1 . 2]" 1
1256 1 29 ARG H 1 29 ARG HG2 5.200 . 5.700 4.513 3.733 4.599 . 0 0 "[ . 1 . 2]" 1
1257 1 29 ARG H 1 32 ALA H 5.200 . 5.700 4.872 4.785 5.133 . 0 0 "[ . 1 . 2]" 1
1258 1 30 LEU HB2 1 32 ALA H 5.200 . 5.700 5.148 5.091 5.248 . 0 0 "[ . 1 . 2]" 1
1259 1 30 LEU HB2 1 80 VAL MG1 5.200 . 5.700 3.942 3.644 4.376 . 0 0 "[ . 1 . 2]" 1
1260 1 30 LEU MD2 1 31 LYS H 5.200 . 5.700 4.534 4.472 4.603 . 0 0 "[ . 1 . 2]" 1
1261 1 30 LEU HG 1 94 LYS HB2 5.200 . 5.700 3.072 2.619 3.647 . 0 0 "[ . 1 . 2]" 1
1262 1 30 LEU H 1 39 LEU MD1 5.200 . 5.700 5.116 4.786 5.470 . 0 0 "[ . 1 . 2]" 1
1263 1 30 LEU H 1 39 LEU MD2 5.200 . 5.700 4.781 4.569 5.322 . 0 0 "[ . 1 . 2]" 1
1264 1 30 LEU H 1 39 LEU HG 5.200 . 5.700 5.279 5.028 5.650 . 0 0 "[ . 1 . 2]" 1
1265 1 31 LYS HB3 1 32 ALA HA 5.200 . 5.700 5.645 4.112 5.746 0.046 5 0 "[ . 1 . 2]" 1
1266 1 31 LYS HB2 1 32 ALA HA 5.200 . 5.700 4.788 4.582 5.273 . 0 0 "[ . 1 . 2]" 1
1267 1 31 LYS HB2 1 33 GLY H 5.200 . 5.700 5.019 4.440 5.565 . 0 0 "[ . 1 . 2]" 1
1268 1 31 LYS HD3 1 80 VAL MG1 5.200 . 5.700 5.433 5.245 5.673 . 0 0 "[ . 1 . 2]" 1
1269 1 31 LYS HD2 1 80 VAL MG1 5.200 . 5.700 5.315 4.862 5.707 0.007 8 0 "[ . 1 . 2]" 1
1270 1 31 LYS H 1 33 GLY H 5.200 . 5.700 4.635 4.498 5.282 . 0 0 "[ . 1 . 2]" 1
1271 1 31 LYS H 1 80 VAL MG2 5.200 . 5.700 3.538 3.072 3.892 . 0 0 "[ . 1 . 2]" 1
1272 1 32 ALA MB 1 34 GLU HG2 5.200 . 5.700 3.266 2.731 4.123 . 0 0 "[ . 1 . 2]" 1
1273 1 32 ALA MB 1 39 LEU MD2 5.200 . 5.700 5.719 5.616 5.751 0.051 11 0 "[ . 1 . 2]" 1
1274 1 32 ALA H 1 34 GLU HG3 5.200 . 5.700 4.616 3.526 5.193 . 0 0 "[ . 1 . 2]" 1
1275 1 32 ALA H 1 34 GLU HG2 5.200 . 5.700 3.912 3.237 5.717 0.017 17 0 "[ . 1 . 2]" 1
1276 1 35 LYS HA 1 36 PHE HB2 5.200 . 5.700 5.505 4.267 5.751 0.051 14 0 "[ . 1 . 2]" 1
1277 1 35 LYS HA 1 39 LEU MD2 5.200 . 5.700 4.157 4.005 4.286 . 0 0 "[ . 1 . 2]" 1
1278 1 35 LYS HA 1 39 LEU H 5.200 . 5.700 5.715 5.693 5.741 0.041 19 0 "[ . 1 . 2]" 1
1279 1 35 LYS QD 1 37 GLY H 5.200 . 5.700 4.017 2.293 5.036 . 0 0 "[ . 1 . 2]" 1
1280 1 35 LYS QG 1 37 GLY H 5.200 . 5.700 2.356 1.955 3.255 . 0 0 "[ . 1 . 2]" 1
1281 1 35 LYS H 1 35 LYS QE 5.200 . 5.700 4.826 3.906 5.628 . 0 0 "[ . 1 . 2]" 1
1282 1 35 LYS H 1 37 GLY H 5.200 . 5.700 5.093 4.754 5.712 0.012 5 0 "[ . 1 . 2]" 1
1283 1 35 LYS H 1 39 LEU H 5.200 . 5.700 4.862 4.742 5.146 . 0 0 "[ . 1 . 2]" 1
1284 1 36 PHE QD 1 37 GLY H 5.200 . 5.700 2.529 1.994 3.994 . 0 0 "[ . 1 . 2]" 1
1285 1 37 GLY HA2 1 53 ASP HA 5.200 . 5.700 2.320 1.981 3.116 . 0 0 "[ . 1 . 2]" 1
1286 1 37 GLY H 1 39 LEU H 5.200 . 5.700 4.533 4.410 4.629 . 0 0 "[ . 1 . 2]" 1
1287 1 38 LYS HA 1 38 LYS QE 5.200 . 5.700 4.343 2.369 5.123 . 0 0 "[ . 1 . 2]" 1
1288 1 38 LYS HA 1 41 LYS QE 5.200 . 5.700 3.967 2.031 5.699 . 0 0 "[ . 1 . 2]" 1
1289 1 38 LYS HA 1 41 LYS HG3 5.200 . 5.700 3.793 3.072 5.264 . 0 0 "[ . 1 . 2]" 1
1290 1 38 LYS HA 1 41 LYS HG2 5.200 . 5.700 3.634 2.653 5.705 0.005 11 0 "[ . 1 . 2]" 1
1291 1 38 LYS HE3 1 39 LEU MD2 5.200 . 5.700 5.273 3.685 5.712 0.012 12 0 "[ . 1 . 2]" 1
1292 1 38 LYS HE2 1 39 LEU MD2 5.200 . 5.700 4.954 4.048 5.666 . 0 0 "[ . 1 . 2]" 1
1293 1 38 LYS QG 1 39 LEU H 5.200 . 5.700 3.785 3.281 4.345 . 0 0 "[ . 1 . 2]" 1
1294 1 38 LYS H 1 41 LYS H 5.200 . 5.700 5.313 5.249 5.405 . 0 0 "[ . 1 . 2]" 1
1295 1 39 LEU HB2 1 41 LYS H 5.200 . 5.700 5.407 5.371 5.494 . 0 0 "[ . 1 . 2]" 1
1296 1 39 LEU HB2 1 42 GLU H 5.200 . 5.700 5.210 5.191 5.249 . 0 0 "[ . 1 . 2]" 1
1297 1 39 LEU MD1 1 44 SER H 5.200 . 5.700 4.719 4.497 4.850 . 0 0 "[ . 1 . 2]" 1
1298 1 39 LEU MD2 1 40 ALA MB 5.200 . 5.700 4.889 4.836 4.976 . 0 0 "[ . 1 . 2]" 1
1299 1 39 LEU MD2 1 42 GLU H 5.200 . 5.700 5.235 5.074 5.303 . 0 0 "[ . 1 . 2]" 1
1300 1 39 LEU H 1 42 GLU QG 5.200 . 5.700 4.793 4.546 5.026 . 0 0 "[ . 1 . 2]" 1
1301 1 40 ALA HA 1 42 GLU H 5.200 . 5.700 4.418 4.395 4.432 . 0 0 "[ . 1 . 2]" 1
1302 1 40 ALA MB 1 41 LYS QG 5.200 . 5.700 3.383 2.550 4.089 . 0 0 "[ . 1 . 2]" 1
1303 1 40 ALA H 1 42 GLU HB3 5.200 . 5.700 5.700 5.620 5.740 0.040 11 0 "[ . 1 . 2]" 1
1304 1 40 ALA H 1 43 LEU MD1 5.200 . 5.700 5.068 4.960 5.227 . 0 0 "[ . 1 . 2]" 1
1305 1 40 ALA H 1 43 LEU H 5.200 . 5.700 4.955 4.848 5.019 . 0 0 "[ . 1 . 2]" 1
1306 1 40 ALA H 1 53 ASP HB2 5.200 . 5.700 5.624 4.999 5.727 0.027 16 0 "[ . 1 . 2]" 1
1307 1 41 LYS HA 1 41 LYS QE 5.200 . 5.700 4.938 4.005 5.522 . 0 0 "[ . 1 . 2]" 1
1308 1 41 LYS HB3 1 50 ALA MB 5.200 . 5.700 4.841 4.323 5.331 . 0 0 "[ . 1 . 2]" 1
1309 1 41 LYS HB2 1 50 ALA MB 5.200 . 5.700 5.580 5.130 5.728 0.028 8 0 "[ . 1 . 2]" 1
1310 1 41 LYS QD 1 42 GLU H 5.200 . 5.700 4.424 3.146 5.464 . 0 0 "[ . 1 . 2]" 1
1311 1 41 LYS H 1 41 LYS HD3 5.200 . 5.700 4.338 2.820 4.899 . 0 0 "[ . 1 . 2]" 1
1312 1 41 LYS H 1 41 LYS HD2 5.200 . 5.700 4.268 2.197 4.871 . 0 0 "[ . 1 . 2]" 1
1313 1 41 LYS H 1 50 ALA MB 5.200 . 5.700 4.548 4.354 4.776 . 0 0 "[ . 1 . 2]" 1
1314 1 41 LYS H 1 53 ASP HA 5.200 . 5.700 4.664 4.058 4.993 . 0 0 "[ . 1 . 2]" 1
1315 1 42 GLU HB2 1 44 SER H 5.200 . 5.700 4.416 4.356 4.522 . 0 0 "[ . 1 . 2]" 1
1316 1 42 GLU H 1 44 SER HB3 5.200 . 5.700 5.518 5.173 5.781 0.081 10 0 "[ . 1 . 2]" 1
1317 1 43 LEU HB3 1 44 SER HA 5.200 . 5.700 5.694 5.656 5.714 0.014 11 0 "[ . 1 . 2]" 1
1318 1 43 LEU MD1 1 44 SER HB2 5.200 . 5.700 4.897 4.623 5.274 . 0 0 "[ . 1 . 2]" 1
1319 1 44 SER HA 1 50 ALA MB 5.200 . 5.700 5.212 4.840 5.565 . 0 0 "[ . 1 . 2]" 1
1320 1 44 SER HB3 1 45 ILE H 5.200 . 5.700 3.532 3.195 3.979 . 0 0 "[ . 1 . 2]" 1
1321 1 44 SER HB2 1 45 ILE HA 5.200 . 5.700 5.620 5.382 5.797 0.097 16 0 "[ . 1 . 2]" 1
1322 1 45 ILE HG13 1 46 ASP HB3 5.200 . 5.700 4.346 3.249 5.313 . 0 0 "[ . 1 . 2]" 1
1323 1 50 ALA H 1 51 LYS HA 5.200 . 5.700 5.098 5.040 5.371 . 0 0 "[ . 1 . 2]" 1
1324 1 50 ALA H 1 51 LYS HB3 5.200 . 5.700 5.760 5.478 5.842 0.142 10 0 "[ . 1 . 2]" 1
1325 1 50 ALA H 1 51 LYS QE 5.200 . 5.700 5.467 3.667 5.714 0.014 15 0 "[ . 1 . 2]" 1
1326 1 50 ALA H 1 51 LYS HG3 5.200 . 5.700 5.619 3.886 5.731 0.031 8 0 "[ . 1 . 2]" 1
1327 1 51 LYS HA 1 54 GLY H 5.200 . 5.700 5.298 5.163 5.421 . 0 0 "[ . 1 . 2]" 1
1328 1 51 LYS H 1 52 ARG HB3 5.200 . 5.700 5.566 4.541 5.813 0.113 18 0 "[ . 1 . 2]" 1
1329 1 51 LYS H 1 52 ARG QG 5.200 . 5.700 3.687 3.052 4.924 . 0 0 "[ . 1 . 2]" 1
1330 1 52 ARG HA 1 52 ARG HD3 5.200 . 5.700 4.136 2.492 5.041 . 0 0 "[ . 1 . 2]" 1
1331 1 52 ARG HA 1 52 ARG HD2 5.200 . 5.700 4.780 2.991 5.520 . 0 0 "[ . 1 . 2]" 1
1332 1 52 ARG HA 1 54 GLY H 5.200 . 5.700 4.477 4.297 4.859 . 0 0 "[ . 1 . 2]" 1
1333 1 52 ARG HB3 1 55 SER QB 5.200 . 5.700 4.363 3.488 5.708 0.008 15 0 "[ . 1 . 2]" 1
1334 1 52 ARG HB2 1 53 ASP HB3 5.200 . 5.700 5.431 4.883 5.717 0.017 10 0 "[ . 1 . 2]" 1
1335 1 52 ARG QD 1 55 SER QB 5.200 . 5.700 4.658 3.136 5.716 0.016 18 0 "[ . 1 . 2]" 1
1336 1 52 ARG QG 1 54 GLY H 5.200 . 5.700 3.983 2.497 5.426 . 0 0 "[ . 1 . 2]" 1
1337 1 52 ARG H 1 52 ARG HD3 5.200 . 5.700 4.697 3.530 5.298 . 0 0 "[ . 1 . 2]" 1
1338 1 52 ARG H 1 52 ARG HD2 5.200 . 5.700 4.729 4.186 5.709 0.009 19 0 "[ . 1 . 2]" 1
1339 1 52 ARG H 1 55 SER H 5.200 . 5.700 4.727 4.281 4.980 . 0 0 "[ . 1 . 2]" 1
1340 1 53 ASP HB3 1 54 GLY H 5.200 . 5.700 4.442 4.204 4.581 . 0 0 "[ . 1 . 2]" 1
1341 1 53 ASP HB2 1 54 GLY H 5.200 . 5.700 4.587 4.535 4.657 . 0 0 "[ . 1 . 2]" 1
1342 1 53 ASP HB2 1 55 SER H 5.200 . 5.700 4.733 4.550 5.147 . 0 0 "[ . 1 . 2]" 1
1343 1 53 ASP H 1 55 SER H 5.200 . 5.700 4.355 4.210 4.499 . 0 0 "[ . 1 . 2]" 1
1344 1 54 GLY H 1 55 SER HA 5.200 . 5.700 5.284 5.091 5.379 . 0 0 "[ . 1 . 2]" 1
1345 1 54 GLY H 1 56 LEU MD2 5.200 . 5.700 5.669 5.521 5.730 0.030 7 0 "[ . 1 . 2]" 1
1346 1 55 SER HA 1 56 LEU MD1 5.200 . 5.700 5.648 5.310 5.730 0.030 8 0 "[ . 1 . 2]" 1
1347 1 55 SER H 1 56 LEU H 5.200 . 5.700 4.061 3.981 4.134 . 0 0 "[ . 1 . 2]" 1
1348 1 56 LEU HB2 1 64 MET ME 5.200 . 5.700 4.874 3.921 5.712 0.012 7 0 "[ . 1 . 2]" 1
1349 1 56 LEU MD1 1 59 PHE QD 5.200 . 5.700 3.297 2.542 4.512 . 0 0 "[ . 1 . 2]" 1
1350 1 56 LEU MD1 1 93 ILE MD 5.200 . 5.700 4.490 4.138 4.869 . 0 0 "[ . 1 . 2]" 1
1351 1 56 LEU MD1 1 96 LEU MD2 5.200 . 5.700 5.408 4.967 5.724 0.024 19 0 "[ . 1 . 2]" 1
1352 1 56 LEU H 1 57 GLY HA2 5.200 . 5.700 4.943 4.869 5.023 . 0 0 "[ . 1 . 2]" 1
1353 1 57 GLY HA3 1 58 TYR HB2 5.200 . 5.700 5.430 5.244 5.811 0.111 9 0 "[ . 1 . 2]" 1
1354 1 57 GLY HA3 1 96 LEU MD2 5.200 . 5.700 5.725 5.707 5.739 0.039 19 0 "[ . 1 . 2]" 1
1355 1 57 GLY H 1 96 LEU MD2 5.200 . 5.700 3.647 3.523 3.880 . 0 0 "[ . 1 . 2]" 1
1356 1 57 GLY H 1 96 LEU HG 5.200 . 5.700 3.744 3.512 3.984 . 0 0 "[ . 1 . 2]" 1
1357 1 58 TYR HA 1 59 PHE QD 5.200 . 5.700 4.626 3.909 5.160 . 0 0 "[ . 1 . 2]" 1
1358 1 61 ARG HA 1 61 ARG HD3 5.200 . 5.700 4.674 4.276 5.483 . 0 0 "[ . 1 . 2]" 1
1359 1 61 ARG HA 1 61 ARG HD2 5.200 . 5.700 4.657 3.825 5.521 . 0 0 "[ . 1 . 2]" 1
1360 1 61 ARG HB3 1 62 GLY QA 5.200 . 5.700 5.091 4.177 5.330 . 0 0 "[ . 1 . 2]" 1
1361 1 61 ARG H 1 62 GLY HA3 5.200 . 5.700 5.081 4.990 5.356 . 0 0 "[ . 1 . 2]" 1
1362 1 61 ARG H 1 62 GLY HA2 5.200 . 5.700 5.835 5.793 5.881 0.181 7 0 "[ . 1 . 2]" 1
1363 1 62 GLY H 1 63 LYS QB 5.200 . 5.700 3.712 3.406 4.817 . 0 0 "[ . 1 . 2]" 1
1364 1 63 LYS HA 1 63 LYS HE3 5.200 . 5.700 4.240 1.987 5.456 . 0 0 "[ . 1 . 2]" 1
1365 1 63 LYS HA 1 63 LYS HE2 5.200 . 5.700 4.494 3.309 5.516 . 0 0 "[ . 1 . 2]" 1
1366 1 64 MET ME 1 65 VAL MG2 5.200 . 5.700 5.040 4.495 5.598 . 0 0 "[ . 1 . 2]" 1
1367 1 64 MET ME 1 93 ILE MG 5.200 . 5.700 3.873 3.173 4.803 . 0 0 "[ . 1 . 2]" 1
1368 1 64 MET QG 1 65 VAL MG2 5.200 . 5.700 4.538 3.372 5.388 . 0 0 "[ . 1 . 2]" 1
1369 1 65 VAL MG1 1 67 PRO HG2 5.200 . 5.700 4.006 3.922 4.097 . 0 0 "[ . 1 . 2]" 1
1370 1 65 VAL MG1 1 88 PHE HB3 5.200 . 5.700 5.716 5.699 5.733 0.033 1 0 "[ . 1 . 2]" 1
1371 1 65 VAL MG2 1 69 GLU HA 5.200 . 5.700 4.850 4.646 5.036 . 0 0 "[ . 1 . 2]" 1
1372 1 65 VAL MG2 1 71 ALA MB 5.200 . 5.700 5.610 5.400 5.708 0.008 10 0 "[ . 1 . 2]" 1
1373 1 65 VAL MG2 1 86 SER HA 5.200 . 5.700 4.704 4.185 5.242 . 0 0 "[ . 1 . 2]" 1
1374 1 65 VAL H 1 68 PHE H 5.200 . 5.700 4.545 4.389 4.726 . 0 0 "[ . 1 . 2]" 1
1375 1 66 LYS HA 1 66 LYS QE 5.200 . 5.700 4.104 2.206 4.781 . 0 0 "[ . 1 . 2]" 1
1376 1 66 LYS HA 1 68 PHE H 5.200 . 5.700 4.534 4.468 4.608 . 0 0 "[ . 1 . 2]" 1
1377 1 66 LYS HB2 1 67 PRO HA 5.200 . 5.700 5.399 5.026 5.626 . 0 0 "[ . 1 . 2]" 1
1378 1 66 LYS HG3 1 67 PRO HD2 5.200 . 5.700 5.267 4.939 5.470 . 0 0 "[ . 1 . 2]" 1
1379 1 66 LYS HG2 1 67 PRO HD2 5.200 . 5.700 5.234 4.990 5.578 . 0 0 "[ . 1 . 2]" 1
1380 1 67 PRO HB3 1 84 VAL MG2 5.200 . 5.700 4.547 4.323 4.769 . 0 0 "[ . 1 . 2]" 1
1381 1 67 PRO HB3 1 86 SER HA 5.200 . 5.700 5.351 4.901 5.679 . 0 0 "[ . 1 . 2]" 1
1382 1 67 PRO HG2 1 86 SER HA 5.200 . 5.700 4.140 3.670 4.671 . 0 0 "[ . 1 . 2]" 1
1383 1 67 PRO HG2 1 86 SER H 5.200 . 5.700 5.396 5.103 5.642 . 0 0 "[ . 1 . 2]" 1
1384 1 68 PHE HB3 1 72 ALA MB 5.200 . 5.700 4.767 4.541 5.025 . 0 0 "[ . 1 . 2]" 1
1385 1 68 PHE HB2 1 84 VAL MG1 5.200 . 5.700 3.203 3.087 3.369 . 0 0 "[ . 1 . 2]" 1
1386 1 68 PHE H 1 93 ILE MD 5.200 . 5.700 4.873 4.361 5.185 . 0 0 "[ . 1 . 2]" 1
1387 1 69 GLU HB2 1 72 ALA H 5.200 . 5.700 5.650 5.604 5.704 0.004 16 0 "[ . 1 . 2]" 1
1388 1 69 GLU H 1 84 VAL MG1 5.200 . 5.700 5.092 4.963 5.269 . 0 0 "[ . 1 . 2]" 1
1389 1 70 ASP HA 1 74 ARG QD 5.200 . 5.700 5.040 4.208 5.717 0.017 1 0 "[ . 1 . 2]" 1
1390 1 70 ASP HB3 1 71 ALA HA 5.200 . 5.700 4.070 3.879 4.273 . 0 0 "[ . 1 . 2]" 1
1391 1 70 ASP HB2 1 71 ALA HA 5.200 . 5.700 5.194 4.730 5.601 . 0 0 "[ . 1 . 2]" 1
1392 1 70 ASP QB 1 72 ALA H 5.200 . 5.700 4.287 4.226 4.384 . 0 0 "[ . 1 . 2]" 1
1393 1 70 ASP H 1 73 PHE H 5.200 . 5.700 5.500 5.392 5.649 . 0 0 "[ . 1 . 2]" 1
1394 1 71 ALA HA 1 74 ARG HA 5.200 . 5.700 4.772 4.657 4.989 . 0 0 "[ . 1 . 2]" 1
1395 1 71 ALA HA 1 84 VAL MG2 5.200 . 5.700 5.083 4.948 5.249 . 0 0 "[ . 1 . 2]" 1
1396 1 71 ALA MB 1 81 SER HA 5.200 . 5.700 4.533 4.240 4.776 . 0 0 "[ . 1 . 2]" 1
1397 1 72 ALA HA 1 75 LEU H 5.200 . 5.700 4.408 4.268 4.583 . 0 0 "[ . 1 . 2]" 1
1398 1 72 ALA H 1 73 PHE QE 5.200 . 5.700 4.861 4.589 4.967 . 0 0 "[ . 1 . 2]" 1
1399 1 72 ALA H 1 73 PHE HZ 5.200 . 5.700 5.709 5.659 5.732 0.032 11 0 "[ . 1 . 2]" 1
1400 1 72 ALA H 1 74 ARG QD 5.200 . 5.700 5.322 4.509 5.700 0.000 14 0 "[ . 1 . 2]" 1
1401 1 72 ALA H 1 84 VAL MG2 5.200 . 5.700 5.700 5.620 5.731 0.031 16 0 "[ . 1 . 2]" 1
1402 1 73 PHE HA 1 74 ARG HA 5.200 . 5.700 4.578 4.553 4.598 . 0 0 "[ . 1 . 2]" 1
1403 1 73 PHE HA 1 74 ARG QB 5.200 . 5.700 4.985 4.923 5.256 . 0 0 "[ . 1 . 2]" 1
1404 1 74 ARG HA 1 74 ARG HD3 5.200 . 5.700 4.397 3.217 5.436 . 0 0 "[ . 1 . 2]" 1
1405 1 74 ARG HA 1 74 ARG HD2 5.200 . 5.700 3.982 2.168 4.737 . 0 0 "[ . 1 . 2]" 1
1406 1 74 ARG HA 1 75 LEU MD2 5.200 . 5.700 4.272 3.900 4.471 . 0 0 "[ . 1 . 2]" 1
1407 1 74 ARG QD 1 75 LEU H 5.200 . 5.700 5.081 4.468 5.351 . 0 0 "[ . 1 . 2]" 1
1408 1 74 ARG QG 1 75 LEU H 5.200 . 5.700 4.174 2.461 4.610 . 0 0 "[ . 1 . 2]" 1
1409 1 74 ARG H 1 75 LEU MD1 5.200 . 5.700 5.596 4.882 5.760 0.060 19 0 "[ . 1 . 2]" 1
1410 1 74 ARG H 1 75 LEU MD2 5.200 . 5.700 4.445 3.756 4.726 . 0 0 "[ . 1 . 2]" 1
1411 1 74 ARG H 1 76 GLN HG3 5.200 . 5.700 5.249 4.711 5.420 . 0 0 "[ . 1 . 2]" 1
1412 1 74 ARG H 1 76 GLN HG2 5.200 . 5.700 5.710 5.701 5.721 0.021 10 0 "[ . 1 . 2]" 1
1413 1 74 ARG H 1 93 ILE MD 5.200 . 5.700 4.918 4.545 5.360 . 0 0 "[ . 1 . 2]" 1
1414 1 75 LEU HA 1 77 VAL H 5.200 . 5.700 3.029 2.965 3.228 . 0 0 "[ . 1 . 2]" 1
1415 1 75 LEU MD1 1 78 GLY HA3 5.200 . 5.700 5.795 5.763 5.887 0.187 18 0 "[ . 1 . 2]" 1
1416 1 75 LEU MD1 1 79 GLU HG3 5.200 . 5.700 4.502 1.996 5.757 0.057 10 0 "[ . 1 . 2]" 1
1417 1 75 LEU MD1 1 79 GLU HG2 5.200 . 5.700 4.179 2.055 5.236 . 0 0 "[ . 1 . 2]" 1
1418 1 75 LEU MD1 1 80 VAL MG1 5.200 . 5.700 3.821 3.676 3.890 . 0 0 "[ . 1 . 2]" 1
1419 1 75 LEU MD1 1 82 GLU HG3 5.200 . 5.700 5.638 5.347 5.827 0.127 10 0 "[ . 1 . 2]" 1
1420 1 75 LEU MD2 1 77 VAL H 5.200 . 5.700 4.220 3.926 4.898 . 0 0 "[ . 1 . 2]" 1
1421 1 75 LEU MD2 1 78 GLY H 5.200 . 5.700 4.597 4.436 5.003 . 0 0 "[ . 1 . 2]" 1
1422 1 75 LEU MD2 1 79 GLU HG3 5.200 . 5.700 5.339 3.319 5.585 . 0 0 "[ . 1 . 2]" 1
1423 1 75 LEU MD2 1 79 GLU HG2 5.200 . 5.700 5.575 2.877 5.731 0.031 20 0 "[ . 1 . 2]" 1
1424 1 75 LEU HG 1 81 SER QB 5.200 . 5.700 2.759 2.133 3.695 . 0 0 "[ . 1 . 2]" 1
1425 1 75 LEU H 1 77 VAL H 5.200 . 5.700 5.198 5.075 5.338 . 0 0 "[ . 1 . 2]" 1
1426 1 76 GLN H 1 79 GLU H 5.200 . 5.700 5.742 5.707 5.776 0.076 3 0 "[ . 1 . 2]" 1
1427 1 77 VAL MG1 1 79 GLU QG 5.200 . 5.700 3.761 3.093 3.874 . 0 0 "[ . 1 . 2]" 1
1428 1 78 GLY HA3 1 79 GLU HB3 5.200 . 5.700 5.765 4.879 5.838 0.138 5 0 "[ . 1 . 2]" 1
1429 1 78 GLY HA3 1 79 GLU QG 5.200 . 5.700 5.712 5.660 5.748 0.048 10 0 "[ . 1 . 2]" 1
1430 1 78 GLY HA2 1 95 ARG H 5.200 . 5.700 3.467 2.923 4.034 . 0 0 "[ . 1 . 2]" 1
1431 1 78 GLY H 1 95 ARG H 5.200 . 5.700 4.966 4.393 5.548 . 0 0 "[ . 1 . 2]" 1
1432 1 79 GLU HB2 1 80 VAL HA 5.200 . 5.700 5.770 5.091 5.815 0.115 16 0 "[ . 1 . 2]" 1
1433 1 79 GLU H 1 94 LYS QE 5.200 . 5.700 4.824 4.212 5.557 . 0 0 "[ . 1 . 2]" 1
1434 1 7 ALA HA 1 11 LYS HG3 5.200 . 5.700 5.523 4.722 5.727 0.027 20 0 "[ . 1 . 2]" 1
1435 1 80 VAL HA 1 94 LYS HB3 5.200 . 5.700 4.858 4.537 5.198 . 0 0 "[ . 1 . 2]" 1
1436 1 80 VAL MG1 1 93 ILE HG12 5.200 . 5.700 5.400 5.277 5.652 . 0 0 "[ . 1 . 2]" 1
1437 1 80 VAL MG1 1 94 LYS HB3 5.200 . 5.700 5.005 4.790 5.285 . 0 0 "[ . 1 . 2]" 1
1438 1 81 SER HA 1 82 GLU HG3 5.200 . 5.700 4.233 3.760 4.815 . 0 0 "[ . 1 . 2]" 1
1439 1 81 SER HA 1 93 ILE HB 5.200 . 5.700 5.298 4.740 5.712 0.012 2 0 "[ . 1 . 2]" 1
1440 1 81 SER HA 1 93 ILE MD 5.200 . 5.700 5.304 4.772 5.704 0.004 9 0 "[ . 1 . 2]" 1
1441 1 82 GLU HA 1 83 PRO HG2 5.200 . 5.700 4.469 4.368 4.679 . 0 0 "[ . 1 . 2]" 1
1442 1 82 GLU H 1 83 PRO HD2 5.200 . 5.700 4.634 4.565 4.695 . 0 0 "[ . 1 . 2]" 1
1443 1 83 PRO HA 1 84 VAL HB 5.200 . 5.700 4.716 4.668 4.769 . 0 0 "[ . 1 . 2]" 1
1444 1 83 PRO HA 1 85 LYS H 5.200 . 5.700 5.358 5.223 5.706 0.006 1 0 "[ . 1 . 2]" 1
1445 1 84 VAL MG1 1 91 HIS HA 5.200 . 5.700 5.542 5.320 5.726 0.026 4 0 "[ . 1 . 2]" 1
1446 1 84 VAL MG2 1 92 VAL H 5.200 . 5.700 5.544 5.368 5.696 . 0 0 "[ . 1 . 2]" 1
1447 1 84 VAL MG2 1 93 ILE MG 5.200 . 5.700 5.111 4.779 5.347 . 0 0 "[ . 1 . 2]" 1
1448 1 84 VAL H 1 93 ILE MD 5.200 . 5.700 5.268 5.018 5.636 . 0 0 "[ . 1 . 2]" 1
1449 1 85 LYS HD3 1 90 TYR QE 5.200 . 5.700 4.605 3.250 5.646 . 0 0 "[ . 1 . 2]" 1
1450 1 85 LYS HD2 1 90 TYR QE 5.200 . 5.700 4.700 4.006 5.130 . 0 0 "[ . 1 . 2]" 1
1451 1 85 LYS QE 1 86 SER H 5.200 . 5.700 4.646 3.274 5.717 0.017 3 0 "[ . 1 . 2]" 1
1452 1 85 LYS H 1 85 LYS HD3 5.200 . 5.700 4.870 4.411 5.440 . 0 0 "[ . 1 . 2]" 1
1453 1 85 LYS H 1 85 LYS HD2 5.200 . 5.700 4.801 4.380 5.452 . 0 0 "[ . 1 . 2]" 1
1454 1 85 LYS H 1 90 TYR HA 5.200 . 5.700 4.133 3.890 4.446 . 0 0 "[ . 1 . 2]" 1
1455 1 85 LYS H 1 90 TYR QE 5.200 . 5.700 4.576 3.426 5.242 . 0 0 "[ . 1 . 2]" 1
1456 1 86 SER QB 1 87 GLU HG3 5.200 . 5.700 4.405 4.061 4.656 . 0 0 "[ . 1 . 2]" 1
1457 1 86 SER H 1 88 PHE HB3 5.200 . 5.700 5.610 5.326 5.707 0.007 16 0 "[ . 1 . 2]" 1
1458 1 86 SER H 1 91 HIS HB3 5.200 . 5.700 5.730 5.717 5.746 0.046 1 0 "[ . 1 . 2]" 1
1459 1 87 GLU HA 1 89 GLY H 5.200 . 5.700 4.480 4.121 4.705 . 0 0 "[ . 1 . 2]" 1
1460 1 87 GLU H 1 87 GLU HG2 5.200 . 5.700 2.162 1.996 2.739 . 0 0 "[ . 1 . 2]" 1
1461 1 91 HIS HA 1 92 VAL HA 5.200 . 5.700 4.514 4.459 4.538 . 0 0 "[ . 1 . 2]" 1
1462 1 91 HIS HB3 1 93 ILE MD 5.200 . 5.700 4.656 4.236 5.051 . 0 0 "[ . 1 . 2]" 1
1463 1 91 HIS HB3 1 93 ILE HG12 5.200 . 5.700 3.956 3.572 4.250 . 0 0 "[ . 1 . 2]" 1
1464 1 91 HIS HB2 1 92 VAL MG2 5.200 . 5.700 4.840 4.731 5.013 . 0 0 "[ . 1 . 2]" 1
1465 1 91 HIS HB2 1 93 ILE MD 5.200 . 5.700 4.925 4.687 5.218 . 0 0 "[ . 1 . 2]" 1
1466 1 91 HIS HB2 1 93 ILE HG13 5.200 . 5.700 5.682 5.595 5.735 0.035 18 0 "[ . 1 . 2]" 1
1467 1 91 HIS HB2 1 93 ILE HG12 5.200 . 5.700 4.796 4.486 5.119 . 0 0 "[ . 1 . 2]" 1
1468 1 92 VAL H 1 93 ILE H 5.200 . 5.700 4.301 4.061 4.394 . 0 0 "[ . 1 . 2]" 1
1469 1 94 LYS HA 1 94 LYS HE3 5.200 . 5.700 4.748 4.336 5.249 . 0 0 "[ . 1 . 2]" 1
1470 1 94 LYS HA 1 94 LYS HE2 5.200 . 5.700 4.746 4.351 5.320 . 0 0 "[ . 1 . 2]" 1
1471 1 94 LYS HA 1 95 ARG QB 5.200 . 5.700 4.043 4.013 4.088 . 0 0 "[ . 1 . 2]" 1
1472 1 94 LYS HB2 1 94 LYS HE3 5.200 . 5.700 4.632 3.514 5.505 . 0 0 "[ . 1 . 2]" 1
1473 1 94 LYS HB2 1 94 LYS HE2 5.200 . 5.700 4.707 4.075 5.468 . 0 0 "[ . 1 . 2]" 1
1474 1 94 LYS H 1 95 ARG H 5.200 . 5.700 4.086 4.026 4.148 . 0 0 "[ . 1 . 2]" 1
1475 1 95 ARG HA 1 97 GLY H 5.200 . 5.700 5.725 5.703 5.741 0.041 4 0 "[ . 1 . 2]" 1
1476 1 9 LYS HA 1 10 ILE MG 5.200 . 5.700 5.184 4.943 5.342 . 0 0 "[ . 1 . 2]" 1
1477 1 9 LYS HA 1 11 LYS HG3 5.200 . 5.700 5.859 5.778 5.946 0.246 6 0 "[ . 1 . 2]" 1
1478 1 9 LYS HA 1 58 TYR HB2 5.200 . 5.700 5.303 4.977 5.796 0.096 12 0 "[ . 1 . 2]" 1
1479 1 9 LYS HA 1 9 LYS HE3 5.200 . 5.700 3.961 2.469 5.287 . 0 0 "[ . 1 . 2]" 1
1480 1 9 LYS HA 1 9 LYS HE2 5.200 . 5.700 3.826 2.186 5.581 . 0 0 "[ . 1 . 2]" 1
1481 1 9 LYS HE3 1 58 TYR HB3 5.200 . 5.700 5.433 3.013 5.758 0.058 1 0 "[ . 1 . 2]" 1
1482 1 9 LYS HE3 1 60 GLY HA2 5.200 . 5.700 5.001 3.461 5.727 0.027 6 0 "[ . 1 . 2]" 1
1483 1 9 LYS HE2 1 58 TYR HB3 5.200 . 5.700 5.304 4.069 5.744 0.044 14 0 "[ . 1 . 2]" 1
1484 1 9 LYS HE2 1 60 GLY HA2 5.200 . 5.700 4.584 2.422 5.772 0.072 14 0 "[ . 1 . 2]" 1
1485 1 9 LYS H 1 11 LYS HG3 5.200 . 5.700 5.678 5.403 5.752 0.052 13 0 "[ . 1 . 2]" 1
1486 1 9 LYS H 1 60 GLY HA3 5.200 . 5.700 5.743 5.517 5.823 0.123 10 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 76
_Distance_constraint_stats_list.Viol_count 219
_Distance_constraint_stats_list.Viol_total 149.898
_Distance_constraint_stats_list.Viol_max 0.121
_Distance_constraint_stats_list.Viol_rms 0.0155
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.0342
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 10 ILE 0.025 0.016 2 0 "[ . 1 . 2]"
1 11 LYS 0.378 0.068 5 0 "[ . 1 . 2]"
1 12 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 SER 0.089 0.030 3 0 "[ . 1 . 2]"
1 14 HIS 0.013 0.013 10 0 "[ . 1 . 2]"
1 15 ILE 0.301 0.032 14 0 "[ . 1 . 2]"
1 16 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LYS 0.118 0.027 11 0 "[ . 1 . 2]"
1 21 GLY 1.272 0.086 14 0 "[ . 1 . 2]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.118 0.027 11 0 "[ . 1 . 2]"
1 24 LEU 0.980 0.086 14 0 "[ . 1 . 2]"
1 25 ALA 0.337 0.044 13 0 "[ . 1 . 2]"
1 26 VAL 1.028 0.067 1 0 "[ . 1 . 2]"
1 28 GLU 0.045 0.016 20 0 "[ . 1 . 2]"
1 29 ARG 0.410 0.033 4 0 "[ . 1 . 2]"
1 30 LEU 0.617 0.067 1 0 "[ . 1 . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LYS 0.139 0.037 17 0 "[ . 1 . 2]"
1 36 PHE 0.008 0.008 5 0 "[ . 1 . 2]"
1 38 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 1.131 0.073 4 0 "[ . 1 . 2]"
1 40 ALA 0.008 0.008 5 0 "[ . 1 . 2]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLU 0.991 0.073 4 0 "[ . 1 . 2]"
1 43 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLY 0.420 0.072 11 0 "[ . 1 . 2]"
1 48 GLY 0.202 0.050 10 0 "[ . 1 . 2]"
1 49 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ALA 0.420 0.072 11 0 "[ . 1 . 2]"
1 51 LYS 0.202 0.050 10 0 "[ . 1 . 2]"
1 52 ARG 0.157 0.045 16 0 "[ . 1 . 2]"
1 54 GLY 0.013 0.013 10 0 "[ . 1 . 2]"
1 55 SER 0.157 0.045 16 0 "[ . 1 . 2]"
1 56 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 PHE 0.025 0.016 2 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 PHE 0.403 0.049 16 0 "[ . 1 . 2]"
1 69 GLU 0.082 0.037 19 0 "[ . 1 . 2]"
1 71 ALA 0.403 0.049 16 0 "[ . 1 . 2]"
1 72 ALA 0.082 0.037 19 0 "[ . 1 . 2]"
1 75 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLU 1.824 0.121 2 0 "[ . 1 . 2]"
1 84 VAL 1.824 0.121 2 0 "[ . 1 . 2]"
1 86 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 VAL 0.301 0.032 14 0 "[ . 1 . 2]"
1 93 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 LYS 0.089 0.030 3 0 "[ . 1 . 2]"
1 96 LEU 0.378 0.068 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 ILE H 1 59 PHE O 2.100 . 2.600 1.664 1.585 1.779 . 0 0 "[ . 1 . 2]" 2
2 1 10 ILE N 1 59 PHE O 3.000 2.500 3.500 2.574 2.484 2.708 0.016 2 0 "[ . 1 . 2]" 2
3 1 13 SER H 1 94 LYS O 2.100 . 2.600 1.916 1.682 2.353 . 0 0 "[ . 1 . 2]" 2
4 1 13 SER N 1 94 LYS O 3.000 2.500 3.500 2.632 2.470 3.097 0.030 3 0 "[ . 1 . 2]" 2
5 1 14 HIS H 1 54 GLY O 2.100 . 2.600 2.229 1.708 2.613 0.013 10 0 "[ . 1 . 2]" 2
6 1 14 HIS N 1 54 GLY O 3.000 2.500 3.500 3.088 2.633 3.416 . 0 0 "[ . 1 . 2]" 2
7 1 15 ILE H 1 92 VAL O 2.100 . 2.600 2.588 2.388 2.632 0.032 14 0 "[ . 1 . 2]" 2
8 1 15 ILE N 1 92 VAL O 3.000 2.500 3.500 3.392 3.215 3.496 . 0 0 "[ . 1 . 2]" 2
9 1 17 VAL H 1 90 TYR O 2.100 . 2.600 2.292 2.138 2.526 . 0 0 "[ . 1 . 2]" 2
10 1 17 VAL N 1 90 TYR O 3.000 2.500 3.500 3.228 3.097 3.432 . 0 0 "[ . 1 . 2]" 2
11 1 19 LYS O 1 22 GLU H 2.100 . 2.600 1.819 1.712 2.103 . 0 0 "[ . 1 . 2]" 2
12 1 19 LYS O 1 22 GLU N 3.000 2.500 3.500 2.654 2.586 2.785 . 0 0 "[ . 1 . 2]" 2
13 1 19 LYS O 1 23 ALA H 2.100 . 2.600 2.489 2.176 2.619 0.019 11 0 "[ . 1 . 2]" 2
14 1 19 LYS O 1 23 ALA N 3.000 2.500 3.500 3.399 3.120 3.527 0.027 11 0 "[ . 1 . 2]" 2
15 1 21 GLY O 1 24 LEU H 2.100 . 2.600 2.649 2.593 2.686 0.086 14 0 "[ . 1 . 2]" 2
16 1 21 GLY O 1 24 LEU N 3.000 2.500 3.500 3.366 3.297 3.403 . 0 0 "[ . 1 . 2]" 2
17 1 21 GLY O 1 25 ALA H 2.100 . 2.600 2.585 2.442 2.644 0.044 13 0 "[ . 1 . 2]" 2
18 1 21 GLY O 1 25 ALA N 3.000 2.500 3.500 3.387 3.236 3.456 . 0 0 "[ . 1 . 2]" 2
19 1 22 GLU O 1 25 ALA H 2.100 . 2.600 2.034 1.893 2.321 . 0 0 "[ . 1 . 2]" 2
20 1 22 GLU O 1 25 ALA N 3.000 2.500 3.500 2.657 2.572 2.727 . 0 0 "[ . 1 . 2]" 2
21 1 22 GLU O 1 26 VAL H 2.100 . 2.600 1.629 1.559 1.860 . 0 0 "[ . 1 . 2]" 2
22 1 22 GLU O 1 26 VAL N 3.000 2.500 3.500 2.591 2.528 2.803 . 0 0 "[ . 1 . 2]" 2
23 1 25 ALA O 1 28 GLU H 2.100 . 2.600 2.398 2.037 2.616 0.016 20 0 "[ . 1 . 2]" 2
24 1 25 ALA O 1 28 GLU N 3.000 2.500 3.500 2.939 2.673 3.204 . 0 0 "[ . 1 . 2]" 2
25 1 26 VAL O 1 29 ARG H 2.100 . 2.600 2.621 2.612 2.633 0.033 4 0 "[ . 1 . 2]" 2
26 1 26 VAL O 1 29 ARG N 3.000 2.500 3.500 3.086 3.013 3.125 . 0 0 "[ . 1 . 2]" 2
27 1 26 VAL O 1 30 LEU H 2.100 . 2.600 1.610 1.558 1.684 . 0 0 "[ . 1 . 2]" 2
28 1 26 VAL O 1 30 LEU N 3.000 2.500 3.500 2.470 2.433 2.509 0.067 1 0 "[ . 1 . 2]" 2
29 1 29 ARG O 1 32 ALA H 2.100 . 2.600 2.186 1.924 2.506 . 0 0 "[ . 1 . 2]" 2
30 1 29 ARG O 1 32 ALA N 3.000 2.500 3.500 2.941 2.742 3.330 . 0 0 "[ . 1 . 2]" 2
31 1 35 LYS O 1 38 LYS H 2.100 . 2.600 1.972 1.773 2.243 . 0 0 "[ . 1 . 2]" 2
32 1 35 LYS O 1 38 LYS N 3.000 2.500 3.500 2.746 2.605 2.939 . 0 0 "[ . 1 . 2]" 2
33 1 35 LYS O 1 39 LEU H 2.100 . 2.600 2.555 2.481 2.616 0.016 17 0 "[ . 1 . 2]" 2
34 1 35 LYS O 1 39 LEU N 3.000 2.500 3.500 3.472 3.392 3.537 0.037 17 0 "[ . 1 . 2]" 2
35 1 36 PHE O 1 40 ALA H 2.100 . 2.600 2.356 2.039 2.608 0.008 5 0 "[ . 1 . 2]" 2
36 1 36 PHE O 1 40 ALA N 3.000 2.500 3.500 3.228 2.937 3.471 . 0 0 "[ . 1 . 2]" 2
37 1 38 LYS O 1 41 LYS H 2.100 . 2.600 2.458 2.389 2.536 . 0 0 "[ . 1 . 2]" 2
38 1 38 LYS O 1 41 LYS N 3.000 2.500 3.500 3.072 3.039 3.158 . 0 0 "[ . 1 . 2]" 2
39 1 39 LEU O 1 42 GLU H 2.100 . 2.600 2.650 2.636 2.673 0.073 4 0 "[ . 1 . 2]" 2
40 1 39 LEU O 1 42 GLU N 3.000 2.500 3.500 3.106 3.091 3.131 . 0 0 "[ . 1 . 2]" 2
41 1 39 LEU O 1 43 LEU H 2.100 . 2.600 2.079 1.963 2.160 . 0 0 "[ . 1 . 2]" 2
42 1 39 LEU O 1 43 LEU N 3.000 2.500 3.500 2.884 2.769 2.956 . 0 0 "[ . 1 . 2]" 2
43 1 39 LEU O 1 44 SER H 2.100 . 2.600 1.776 1.709 1.822 . 0 0 "[ . 1 . 2]" 2
44 1 39 LEU O 1 44 SER N 3.000 2.500 3.500 2.726 2.633 2.771 . 0 0 "[ . 1 . 2]" 2
45 1 16 LEU O 1 45 ILE H 2.100 . 2.600 1.668 1.591 1.840 . 0 0 "[ . 1 . 2]" 2
46 1 16 LEU O 1 45 ILE N 3.000 2.500 3.500 2.582 2.507 2.698 . 0 0 "[ . 1 . 2]" 2
47 1 49 SER O 1 52 ARG H 2.100 . 2.600 2.196 1.783 2.406 . 0 0 "[ . 1 . 2]" 2
48 1 49 SER O 1 52 ARG N 3.000 2.500 3.500 3.074 2.605 3.352 . 0 0 "[ . 1 . 2]" 2
49 1 52 ARG O 1 55 SER H 2.100 . 2.600 2.308 1.895 2.619 0.019 2 0 "[ . 1 . 2]" 2
50 1 52 ARG O 1 55 SER N 3.000 2.500 3.500 3.241 2.816 3.545 0.045 16 0 "[ . 1 . 2]" 2
51 1 12 CYS O 1 56 LEU H 2.100 . 2.600 2.311 2.099 2.500 . 0 0 "[ . 1 . 2]" 2
52 1 12 CYS O 1 56 LEU N 3.000 2.500 3.500 2.869 2.740 2.996 . 0 0 "[ . 1 . 2]" 2
53 1 47 GLY O 1 50 ALA H 2.100 . 2.600 1.897 1.540 2.672 0.072 11 0 "[ . 1 . 2]" 2
54 1 47 GLY O 1 50 ALA N 3.000 2.500 3.500 2.821 2.500 3.569 0.069 11 0 "[ . 1 . 2]" 2
55 1 48 GLY O 1 51 LYS H 2.100 . 2.600 1.928 1.656 2.580 . 0 0 "[ . 1 . 2]" 2
56 1 48 GLY O 1 51 LYS N 3.000 2.500 3.500 2.848 2.584 3.550 0.050 10 0 "[ . 1 . 2]" 2
57 1 65 VAL O 1 69 GLU H 2.100 . 2.600 1.715 1.673 1.826 . 0 0 "[ . 1 . 2]" 2
58 1 65 VAL O 1 69 GLU N 3.000 2.500 3.500 2.641 2.588 2.741 . 0 0 "[ . 1 . 2]" 2
59 1 68 PHE O 1 71 ALA H 2.100 . 2.600 2.620 2.610 2.649 0.049 16 0 "[ . 1 . 2]" 2
60 1 68 PHE O 1 71 ALA N 3.000 2.500 3.500 3.103 3.028 3.167 . 0 0 "[ . 1 . 2]" 2
61 1 69 GLU O 1 72 ALA H 2.100 . 2.600 2.543 2.328 2.637 0.037 19 0 "[ . 1 . 2]" 2
62 1 69 GLU O 1 72 ALA N 3.000 2.500 3.500 3.304 3.114 3.398 . 0 0 "[ . 1 . 2]" 2
63 1 75 LEU O 1 78 GLY H 2.100 . 2.600 2.239 1.917 2.590 . 0 0 "[ . 1 . 2]" 2
64 1 75 LEU O 1 78 GLY N 3.000 2.500 3.500 3.119 2.773 3.472 . 0 0 "[ . 1 . 2]" 2
65 1 81 SER H 1 93 ILE O 2.100 . 2.600 2.270 2.002 2.569 . 0 0 "[ . 1 . 2]" 2
66 1 81 SER N 1 93 ILE O 3.000 2.500 3.500 3.014 2.704 3.325 . 0 0 "[ . 1 . 2]" 2
67 1 82 GLU O 1 84 VAL H 2.100 . 2.600 2.691 2.641 2.721 0.121 2 0 "[ . 1 . 2]" 2
68 1 82 GLU O 1 84 VAL N 3.000 2.500 3.500 2.901 2.811 3.022 . 0 0 "[ . 1 . 2]" 2
69 1 86 SER H 1 89 GLY O 2.100 . 2.600 1.848 1.750 1.930 . 0 0 "[ . 1 . 2]" 2
70 1 86 SER N 1 89 GLY O 3.000 2.500 3.500 2.773 2.667 2.852 . 0 0 "[ . 1 . 2]" 2
71 1 84 VAL O 1 91 HIS H 2.100 . 2.600 1.672 1.636 1.700 . 0 0 "[ . 1 . 2]" 2
72 1 84 VAL O 1 91 HIS N 3.000 2.500 3.500 2.551 2.502 2.600 . 0 0 "[ . 1 . 2]" 2
73 1 13 SER O 1 94 LYS H 2.100 . 2.600 2.212 1.833 2.500 . 0 0 "[ . 1 . 2]" 2
74 1 13 SER O 1 94 LYS N 3.000 2.500 3.500 3.148 2.795 3.408 . 0 0 "[ . 1 . 2]" 2
75 1 11 LYS O 1 96 LEU H 2.100 . 2.600 1.590 1.520 1.660 . 0 0 "[ . 1 . 2]" 2
76 1 11 LYS O 1 96 LEU N 3.000 2.500 3.500 2.489 2.432 2.538 0.068 5 0 "[ . 1 . 2]" 2
stop_
save_
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