NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
373211 |
1do9   |
4602 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1do9
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 1320
_Distance_constraint_stats_list.Viol_count 3055
_Distance_constraint_stats_list.Viol_total 14927.809
_Distance_constraint_stats_list.Viol_max 0.950
_Distance_constraint_stats_list.Viol_rms 0.0444
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.1222
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ASP 0.397 0.164 16 0 "[ . 1 . 2 . 3 . 4]"
1 4 VAL 8.243 0.561 5 3 "[- + * . 2 . 3 . 4]"
1 5 LYS 25.323 0.657 40 6 "[ . * 1- . 2 . * 3 * *. +]"
1 6 TYR 27.860 0.671 32 16 "[* ******* * .* - 2 * . 3 + .*** 4]"
1 7 TYR 43.361 0.671 32 16 "[ *.****1 * .* - 2 * . * 3 + *.*** *]"
1 8 THR 1.972 0.109 19 0 "[ . 1 . 2 . 3 . 4]"
1 9 LEU 3.425 0.117 19 0 "[ . 1 . 2 . 3 . 4]"
1 10 GLU 6.655 0.245 7 0 "[ . 1 . 2 . 3 . 4]"
1 11 GLU 0.167 0.123 7 0 "[ . 1 . 2 . 3 . 4]"
1 12 ILE 11.856 0.165 30 0 "[ . 1 . 2 . 3 . 4]"
1 13 LYS 0.632 0.073 9 0 "[ . 1 . 2 . 3 . 4]"
1 14 LYS 1.366 0.134 20 0 "[ . 1 . 2 . 3 . 4]"
1 15 HIS 12.214 0.950 7 7 "[ .*+ 1 . * -* . 3 * *. 4]"
1 16 ASN 13.567 0.950 7 7 "[ .*+ 1 . * -* . 3 * *. 4]"
1 17 HIS 3.524 0.118 33 0 "[ . 1 . 2 . 3 . 4]"
1 19 LYS 2.253 0.134 38 0 "[ . 1 . 2 . 3 . 4]"
1 20 SER 2.898 0.126 23 0 "[ . 1 . 2 . 3 . 4]"
1 21 THR 0.900 0.101 21 0 "[ . 1 . 2 . 3 . 4]"
1 22 TRP 3.333 0.140 9 0 "[ . 1 . 2 . 3 . 4]"
1 23 LEU 5.240 0.885 4 5 "[ +. * 1 - . 2* . 3 . * 4]"
1 24 ILE 16.513 0.748 36 13 "[ ** * 1- *.* 2 * .* * *.+** 4]"
1 25 LEU 41.030 0.800 6 8 "[ * .+ 1 * . * 2 .* - * *]"
1 26 HIS 13.272 0.467 23 0 "[ . 1 . 2 . 3 . 4]"
1 27 HIS 1.009 0.192 32 0 "[ . 1 . 2 . 3 . 4]"
1 28 LYS 0.010 0.010 19 0 "[ . 1 . 2 . 3 . 4]"
1 29 VAL 6.147 0.280 14 0 "[ . 1 . 2 . 3 . 4]"
1 30 TYR 9.906 0.426 35 0 "[ . 1 . 2 . 3 . 4]"
1 31 ASP 0.978 0.138 34 0 "[ . 1 . 2 . 3 . 4]"
1 32 LEU 0.554 0.235 29 0 "[ . 1 . 2 . 3 . 4]"
1 33 THR 4.330 0.148 3 0 "[ . 1 . 2 . 3 . 4]"
1 34 LYS 1.419 0.090 33 0 "[ . 1 . 2 . 3 . 4]"
1 35 PHE 8.689 0.398 30 0 "[ . 1 . 2 . 3 . 4]"
1 36 LEU 11.725 0.243 31 0 "[ . 1 . 2 . 3 . 4]"
1 37 GLU 0.989 0.105 39 0 "[ . 1 . 2 . 3 . 4]"
1 38 GLU 9.162 0.398 30 0 "[ . 1 . 2 . 3 . 4]"
1 39 HIS 1.861 0.137 39 0 "[ . 1 . 2 . 3 . 4]"
1 40 PRO 0.965 0.070 17 0 "[ . 1 . 2 . 3 . 4]"
1 41 GLY 0.211 0.116 31 0 "[ . 1 . 2 . 3 . 4]"
1 42 GLY 1.714 0.116 31 0 "[ . 1 . 2 . 3 . 4]"
1 43 GLU 1.117 0.243 31 0 "[ . 1 . 2 . 3 . 4]"
1 44 GLU 10.035 0.798 26 5 "[ . 1 * . 2 .+ *3* . - 4]"
1 45 VAL 4.309 0.126 19 0 "[ . 1 . 2 . 3 . 4]"
1 46 LEU 0.704 0.165 16 0 "[ . 1 . 2 . 3 . 4]"
1 47 ARG 8.983 0.798 26 5 "[ . 1 * . 2 .+ *3* . - 4]"
1 48 GLU 2.101 0.165 16 0 "[ . 1 . 2 . 3 . 4]"
1 49 GLN 26.998 0.885 4 6 "[ +. * 1 * . 2- . * 3 . * 4]"
1 50 ALA 4.073 0.097 29 0 "[ . 1 . 2 . 3 . 4]"
1 51 GLY 4.890 0.165 30 0 "[ . 1 . 2 . 3 . 4]"
1 52 GLY 1.128 0.066 17 0 "[ . 1 . 2 . 3 . 4]"
1 53 ASP 18.187 0.748 36 13 "[ ** * 1- *.* 2 * .* * *.+** 4]"
1 54 ALA 9.411 0.800 6 8 "[ * .+ 1 * . * 2 .* - * *]"
1 55 THR 16.201 0.629 30 1 "[ . 1 . 2 . + . 4]"
1 56 GLU 1.678 0.842 28 1 "[ . 1 . 2 . + 3 . 4]"
1 57 ASN 3.940 0.657 27 1 "[ . 1 . 2 . + 3 . 4]"
1 58 PHE 4.084 0.309 18 0 "[ . 1 . 2 . 3 . 4]"
1 59 GLU 14.226 0.842 28 1 "[ . 1 . 2 . + 3 . 4]"
1 60 ASP 0.290 0.102 28 0 "[ . 1 . 2 . 3 . 4]"
1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 63 HIS 2.950 0.171 16 0 "[ . 1 . 2 . 3 . 4]"
1 64 SER 7.182 0.483 27 0 "[ . 1 . 2 . 3 . 4]"
1 65 THR 6.531 0.483 27 0 "[ . 1 . 2 . 3 . 4]"
1 66 ASP 3.011 0.379 9 0 "[ . 1 . 2 . 3 . 4]"
1 67 ALA 3.247 0.436 3 0 "[ . 1 . 2 . 3 . 4]"
1 68 ARG 0.909 0.135 33 0 "[ . 1 . 2 . 3 . 4]"
1 69 GLU 7.901 0.247 15 0 "[ . 1 . 2 . 3 . 4]"
1 70 LEU 4.906 0.436 3 0 "[ . 1 . 2 . 3 . 4]"
1 71 SER 0.620 0.113 6 0 "[ . 1 . 2 . 3 . 4]"
1 72 LYS 1.906 0.223 34 0 "[ . 1 . 2 . 3 . 4]"
1 73 THR 0.009 0.009 20 0 "[ . 1 . 2 . 3 . 4]"
1 74 PHE 17.820 0.362 39 0 "[ . 1 . 2 . 3 . 4]"
1 75 ILE 11.412 0.453 12 0 "[ . 1 . 2 . 3 . 4]"
1 76 ILE 2.369 0.210 26 0 "[ . 1 . 2 . 3 . 4]"
1 77 GLY 26.698 0.546 11 1 "[ . 1+ . 2 . 3 . 4]"
1 78 GLU 0.569 0.079 21 0 "[ . 1 . 2 . 3 . 4]"
1 79 LEU 5.700 0.224 7 0 "[ . 1 . 2 . 3 . 4]"
1 80 HIS 19.474 0.444 25 0 "[ . 1 . 2 . 3 . 4]"
1 81 PRO 27.822 0.444 25 0 "[ . 1 . 2 . 3 . 4]"
1 82 ASP 1.944 0.337 29 0 "[ . 1 . 2 . 3 . 4]"
1 83 ASP 14.939 0.481 26 0 "[ . 1 . 2 . 3 . 4]"
1 84 ARG 15.626 0.481 26 0 "[ . 1 . 2 . 3 . 4]"
1 85 SER 0.802 0.099 40 0 "[ . 1 . 2 . 3 . 4]"
1 86 LYS 11.339 0.454 15 0 "[ . 1 . 2 . 3 . 4]"
1 87 LEU 9.087 0.454 15 0 "[ . 1 . 2 . 3 . 4]"
1 88 SER 0.488 0.093 16 0 "[ . 1 . 2 . 3 . 4]"
1 89 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ASP HA 1 4 VAL H . . 3.300 2.640 2.171 3.464 0.164 16 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 3 ASP HA 1 4 VAL HA . . 5.500 4.487 4.378 4.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 4 VAL H 1 4 VAL HB . . 3.100 2.882 2.573 3.113 0.013 7 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 4 VAL H 1 4 VAL MG1 . . 4.700 3.926 3.784 3.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 4 VAL H 1 4 VAL MG2 . . 3.700 2.604 2.119 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 4 VAL H 1 5 LYS H . . 3.700 3.710 3.329 3.792 0.092 22 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 4 VAL HA 1 5 LYS H . . 3.100 2.845 2.235 3.216 0.116 19 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 4 VAL HA 1 5 LYS HA . . 5.400 4.533 4.385 4.734 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 4 VAL HB 1 6 TYR CG . . 7.500 4.297 3.410 5.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 4 VAL HB 1 6 TYR CZ . . 7.500 4.175 2.749 6.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 4 VAL HB 1 6 TYR HA . . 5.500 5.128 4.400 5.593 0.093 10 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 4 VAL HB 1 6 TYR HB2 . . 5.500 5.105 3.716 6.061 0.561 5 3 "[- + * . 2 . 3 . 4]" 1
13 1 4 VAL HB 1 78 GLU H . . 5.500 5.000 4.063 5.565 0.065 19 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 4 VAL MG1 1 5 LYS H . . 4.800 2.577 1.883 3.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 4 VAL MG1 1 6 TYR CG . . 8.400 4.350 2.917 5.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 4 VAL MG1 1 6 TYR CZ . . 7.000 4.231 2.688 5.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 4 VAL MG1 1 6 TYR HA . . 6.500 4.329 3.053 5.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 4 VAL MG1 1 77 GLY QA . . 6.100 2.768 1.937 4.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 4 VAL MG1 1 78 GLU H . . 5.500 3.382 2.244 4.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 4 VAL MG1 1 78 GLU QG . . 5.800 3.110 1.985 4.203 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 4 VAL MG2 1 5 LYS H . . 5.400 3.903 3.503 4.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 4 VAL MG2 1 6 TYR CZ . . 8.400 4.181 2.673 6.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 4 VAL MG2 1 78 GLU QG . . 7.000 4.413 3.089 5.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 5 LYS H 1 5 LYS HG2 . . 5.500 4.329 2.707 5.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 5 LYS H 1 5 LYS HG3 . . 5.400 4.358 3.222 4.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 5 LYS H 1 78 GLU H . . 4.600 3.831 2.574 4.645 0.045 6 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 5 LYS HA 1 6 TYR H . . 3.500 3.032 2.154 3.566 0.066 22 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 5 LYS HA 1 6 TYR HA . . 5.500 5.009 4.414 5.353 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 5 LYS HA 1 77 GLY QA . . 3.800 4.207 3.949 4.346 0.546 11 1 "[ . 1+ . 2 . 3 . 4]" 1
30 1 5 LYS QB 1 5 LYS HE2 . . 4.200 3.669 2.141 4.461 0.261 40 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 5 LYS QB 1 6 TYR H . . 5.000 3.302 2.056 4.080 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 5 LYS QB 1 7 TYR CG . . 8.500 3.976 3.386 4.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 5 LYS QB 1 7 TYR CZ . . 8.500 3.503 2.477 4.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 5 LYS QB 1 77 GLY H . . 6.500 4.430 3.900 5.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 5 LYS QB 1 77 GLY QA . . 6.500 2.282 1.797 3.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 5 LYS HE2 1 5 LYS HG3 . . 4.000 3.124 1.975 4.246 0.246 25 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 5 LYS HE2 1 7 TYR CG . . 7.500 6.849 4.484 8.157 0.657 40 5 "[ . - 1 . 2 . * 3 * *. +]" 1
38 1 5 LYS HE2 1 7 TYR CZ . . 7.500 4.992 2.735 6.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 5 LYS HG3 1 7 TYR CZ . . 7.500 4.376 2.923 5.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 6 TYR CG 1 7 TYR H . . 7.500 4.923 4.521 5.159 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 6 TYR CG 1 78 GLU H . . 7.500 4.755 4.066 5.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 6 TYR CG 1 78 GLU QB . . 8.500 4.719 3.524 6.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 6 TYR CG 1 78 GLU QG . . 8.500 5.037 3.050 6.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 6 TYR CG 1 79 LEU H . . 7.500 6.914 5.371 7.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 6 TYR CG 1 79 LEU HA . . 7.500 6.531 5.377 7.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 6 TYR CG 1 80 HIS HA . . 7.500 4.251 3.272 5.328 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 6 TYR CZ 1 6 TYR HA . . 6.100 4.965 4.712 5.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 6 TYR CZ 1 78 GLU H . . 7.500 6.067 5.371 7.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 6 TYR CZ 1 78 GLU QB . . 8.500 4.713 3.293 6.145 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 6 TYR CZ 1 78 GLU QG . . 8.500 4.949 3.122 6.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 6 TYR CZ 1 80 HIS HD2 . . 7.500 6.978 5.347 7.745 0.245 37 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 6 TYR H 1 6 TYR HB2 . . 3.500 2.912 2.214 3.585 0.085 20 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 6 TYR H 1 6 TYR HB3 . . 3.800 3.741 3.484 3.955 0.155 6 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 6 TYR H 1 7 TYR H . . 4.000 3.925 3.292 4.255 0.255 1 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 6 TYR HA 1 7 TYR H . . 3.100 2.358 2.155 2.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 6 TYR HA 1 7 TYR HA . . 5.500 4.491 4.416 4.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 6 TYR HA 1 7 TYR HB2 . . 5.000 4.465 4.302 4.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 6 TYR HA 1 78 GLU H . . 3.500 2.769 1.999 3.576 0.076 11 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 6 TYR HA 1 78 GLU QB . . 6.500 3.950 2.983 5.061 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 6 TYR HA 1 78 GLU QG . . 6.500 4.328 2.584 5.341 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 6 TYR HA 1 79 LEU H . . 5.500 5.186 4.050 5.536 0.036 6 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 6 TYR HA 1 79 LEU HA . . 5.500 4.433 3.005 5.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 6 TYR HA 1 80 HIS HA . . 5.500 3.974 3.210 4.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 6 TYR HB2 1 7 TYR H . . 4.200 4.653 4.461 4.871 0.671 32 13 "[ *.****1 * .* - 2 * . 3 + .*** 4]" 1
65 1 6 TYR HB2 1 80 HIS HA . . 5.500 4.921 4.019 5.543 0.043 40 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 6 TYR HB2 1 80 HIS HD2 . . 5.500 4.207 3.113 5.525 0.025 32 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 6 TYR HB3 1 80 HIS HA . . 5.300 3.277 2.323 4.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 6 TYR HB3 1 80 HIS HD2 . . 5.500 2.865 2.154 4.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 7 TYR CG 1 8 THR H . . 7.500 4.117 3.841 4.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 7 TYR CG 1 8 THR HA . . 7.500 6.341 6.206 6.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 7 TYR CG 1 8 THR MG . . 8.500 5.777 5.186 6.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 7 TYR CG 1 11 GLU QB . . 7.500 3.882 3.367 4.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 7 TYR CG 1 11 GLU QG . . 8.500 3.584 2.939 4.328 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 7 TYR CG 1 12 ILE H . . 7.500 5.661 5.305 6.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 7 TYR CG 1 12 ILE HA . . 7.300 5.931 5.695 6.126 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 7 TYR CG 1 12 ILE HG13 . . 7.500 4.392 3.990 4.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 7 TYR CG 1 22 TRP HH2 . . 7.500 3.626 2.774 3.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 7 TYR CG 1 22 TRP HZ3 . . 7.500 3.044 2.777 3.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 7 TYR CG 1 29 VAL HA . . 7.500 7.480 6.895 7.780 0.280 14 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 7 TYR CG 1 29 VAL HB . . 7.500 5.365 4.755 5.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 7 TYR CG 1 29 VAL MG1 . . 7.500 3.821 3.407 4.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 7 TYR CG 1 29 VAL MG2 . . 6.900 4.064 3.564 4.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 7 TYR CG 1 76 ILE MD . . 8.500 3.789 3.323 4.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 7 TYR CG 1 76 ILE HG12 . . 7.500 6.709 6.125 7.538 0.038 9 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 7 TYR CG 1 76 ILE HG13 . . 7.500 6.466 5.755 6.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 7 TYR CG 1 77 GLY QA . . 7.500 4.581 3.838 5.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 7 TYR CG 1 78 GLU H . . 7.500 5.435 4.626 6.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 7 TYR CZ 1 7 TYR H . . 6.500 5.729 5.063 6.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 7 TYR CZ 1 7 TYR HA . . 6.100 4.886 4.747 5.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 7 TYR CZ 1 11 GLU QG . . 8.500 4.453 3.632 5.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 7 TYR CZ 1 22 TRP HH2 . . 7.500 2.622 2.384 3.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 7 TYR CZ 1 22 TRP HZ3 . . 7.500 4.056 3.653 4.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 7 TYR CZ 1 29 VAL HB . . 7.500 6.830 5.637 7.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 7 TYR CZ 1 29 VAL MG1 . . 8.100 4.936 3.790 5.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 7 TYR CZ 1 29 VAL MG2 . . 8.500 5.978 5.170 6.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 7 TYR CZ 1 76 ILE HA . . 7.500 7.080 6.342 7.710 0.210 26 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 7 TYR CZ 1 76 ILE HB . . 7.500 5.276 4.289 5.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 7 TYR CZ 1 76 ILE MD . . 7.200 3.451 2.930 4.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 7 TYR CZ 1 76 ILE HG12 . . 7.500 6.211 5.540 7.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 7 TYR CZ 1 76 ILE HG13 . . 7.500 6.432 5.096 7.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 7 TYR CZ 1 76 ILE MG . . 8.000 6.287 5.503 6.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 7 TYR CZ 1 77 GLY QA . . 7.200 5.089 4.164 5.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 7 TYR CZ 1 78 GLU H . . 7.500 6.872 5.559 7.579 0.079 21 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 7 TYR H 1 7 TYR HB2 . . 3.900 2.199 2.110 2.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 7 TYR H 1 7 TYR HB3 . . 3.200 3.394 3.336 3.450 0.250 1 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 7 TYR H 1 8 THR H . . 5.500 4.491 4.292 4.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 7 TYR H 1 11 GLU QG . . 6.500 5.824 5.718 5.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 7 TYR H 1 29 VAL MG2 . . 6.000 3.308 2.622 3.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 7 TYR H 1 77 GLY QA . . 5.500 4.080 3.329 4.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 7 TYR H 1 78 GLU H . . 4.000 3.256 2.465 4.055 0.055 19 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 7 TYR H 1 78 GLU QG . . 6.500 5.325 4.120 5.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 7 TYR H 1 79 LEU HA . . 4.100 3.366 2.120 4.017 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 7 TYR H 1 80 HIS H . . 3.900 3.930 3.736 4.017 0.117 30 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 7 TYR HA 1 8 THR H . . 3.700 2.329 2.155 2.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 7 TYR HB2 1 8 THR H . . 4.000 4.026 3.809 4.109 0.109 19 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 7 TYR HB2 1 11 GLU QB . . 5.500 4.176 3.709 4.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 7 TYR HB2 1 12 ILE HA . . 5.500 5.544 5.301 5.607 0.107 40 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 7 TYR HB2 1 12 ILE HG12 . . 5.500 3.949 3.148 4.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 7 TYR HB2 1 12 ILE HG13 . . 5.500 3.449 3.087 3.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 7 TYR HB2 1 22 TRP HE3 . . 5.500 4.871 4.467 5.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 7 TYR HB2 1 22 TRP HH2 . . 5.500 5.138 4.018 5.580 0.080 5 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 7 TYR HB2 1 22 TRP HZ3 . . 5.500 3.632 2.954 4.065 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 7 TYR HB2 1 29 VAL MG1 . . 6.500 3.070 2.605 3.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 7 TYR HB2 1 29 VAL MG2 . . 4.800 2.396 2.053 2.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 7 TYR HB2 1 78 GLU H . . 5.500 4.484 3.556 5.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 7 TYR HB3 1 8 THR H . . 3.900 2.804 2.463 3.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 7 TYR HB3 1 12 ILE HA . . 5.500 4.701 4.384 4.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 7 TYR HB3 1 12 ILE HG12 . . 4.500 4.017 3.077 4.536 0.036 29 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 7 TYR HB3 1 12 ILE HG13 . . 4.800 2.869 2.294 3.434 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 7 TYR HB3 1 22 TRP HZ3 . . 5.500 2.976 2.427 3.358 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 7 TYR HB3 1 29 VAL HB . . 5.500 5.542 5.413 5.598 0.098 11 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 7 TYR HB3 1 29 VAL MG2 . . 4.900 3.493 3.095 3.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 8 THR H 1 8 THR HB . . 4.200 3.545 3.334 3.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 8 THR H 1 8 THR MG . . 3.800 2.622 2.080 3.266 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 8 THR H 1 9 LEU H . . 5.500 4.576 4.496 4.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 8 THR H 1 11 GLU H . . 5.000 3.561 3.162 3.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 8 THR H 1 11 GLU QB . . 3.300 2.434 2.072 3.144 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 8 THR H 1 12 ILE HG13 . . 5.500 4.927 4.073 5.540 0.040 20 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 8 THR HA 1 8 THR MG . . 3.500 2.315 2.099 2.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 8 THR HA 1 9 LEU H . . 3.400 2.342 2.243 2.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 8 THR HA 1 10 GLU H . . 4.700 4.382 3.980 4.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 8 THR HA 1 11 GLU QB . . 5.500 4.546 4.105 5.353 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 8 THR HA 1 80 HIS H . . 3.300 3.175 2.708 3.356 0.056 38 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 8 THR HA 1 80 HIS QB . . 5.200 2.631 2.011 3.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 8 THR HA 1 80 HIS HD2 . . 5.500 3.791 2.875 5.531 0.031 12 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 8 THR HB 1 9 LEU H . . 3.700 2.922 2.385 3.501 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 8 THR HB 1 9 LEU MD1 . . 6.500 4.982 3.955 5.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 8 THR HB 1 10 GLU H . . 3.300 2.970 2.637 3.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 8 THR HB 1 11 GLU H . . 4.900 3.587 3.250 4.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 8 THR MG 1 9 LEU H . . 5.500 3.803 3.243 4.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 8 THR MG 1 10 GLU H . . 5.800 4.509 4.276 4.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 8 THR MG 1 11 GLU H . . 6.500 4.393 3.751 4.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 8 THR MG 1 11 GLU QB . . 6.500 4.067 3.317 5.062 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 8 THR MG 1 80 HIS H . . 6.300 4.314 3.858 5.200 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 8 THR MG 1 80 HIS QB . . 5.400 3.037 2.135 3.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 8 THR MG 1 80 HIS HD2 . . 4.700 3.253 2.094 3.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 9 LEU H 1 9 LEU HB2 . . 3.900 2.784 2.556 2.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 9 LEU H 1 9 LEU MD1 . . 4.800 2.501 1.775 2.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 9 LEU H 1 9 LEU MD2 . . 4.600 1.914 1.721 3.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 9 LEU H 1 9 LEU HG . . 4.500 3.707 2.512 3.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 9 LEU H 1 10 GLU H . . 3.900 2.979 2.664 3.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 9 LEU H 1 11 GLU H . . 5.500 4.408 3.964 5.053 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 9 LEU H 1 79 LEU HG . . 5.500 5.095 4.208 5.617 0.117 19 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 9 LEU H 1 80 HIS H . . 5.500 4.383 3.399 5.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 9 LEU H 1 80 HIS QB . . 5.500 3.847 2.553 4.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 9 LEU H 1 83 ASP HB2 . . 5.500 4.768 4.025 5.575 0.075 8 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 9 LEU H 1 83 ASP HB3 . . 5.500 5.136 4.265 5.596 0.096 38 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 9 LEU HA 1 9 LEU MD1 . . 4.000 2.134 1.926 3.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 9 LEU HA 1 9 LEU MD2 . . 4.000 3.373 3.314 3.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 9 LEU HA 1 9 LEU HG . . 3.700 3.593 2.341 3.737 0.037 36 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 9 LEU HA 1 10 GLU H . . 4.600 3.571 3.527 3.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 9 LEU HA 1 12 ILE H . . 4.100 3.315 3.090 3.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 9 LEU HA 1 12 ILE HB . . 2.900 2.781 2.314 3.010 0.110 15 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 9 LEU HA 1 12 ILE HG13 . . 4.600 4.458 3.756 4.712 0.112 16 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 9 LEU HA 1 12 ILE MG . . 5.900 4.178 3.674 4.487 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 9 LEU HA 1 13 LYS H . . 4.200 4.090 3.508 4.239 0.039 26 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 9 LEU HB2 1 9 LEU MD2 . . 3.000 2.208 2.072 2.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 9 LEU HB2 1 10 GLU H . . 3.500 2.647 2.279 3.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 9 LEU MD1 1 13 LYS QD . . 6.100 4.053 3.565 4.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 9 LEU MD1 1 80 HIS H . . 4.800 3.865 3.293 4.101 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 9 LEU MD2 1 80 HIS H . . 5.700 4.027 3.653 4.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 9 LEU MD2 1 83 ASP HB2 . . 5.400 2.562 1.964 3.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 9 LEU HG 1 10 GLU H . . 5.500 5.047 4.770 5.243 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 10 GLU H 1 10 GLU HB3 . . 3.300 3.292 2.449 3.545 0.245 7 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 10 GLU H 1 10 GLU HG2 . . 4.700 3.987 2.110 4.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 10 GLU H 1 10 GLU HG3 . . 4.500 3.381 2.446 4.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 10 GLU H 1 11 GLU H . . 3.500 2.858 2.685 3.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 10 GLU H 1 13 LYS H . . 5.500 4.769 4.539 5.011 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 10 GLU HA 1 10 GLU HB3 . . 2.800 2.779 2.395 3.042 0.242 15 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 10 GLU HA 1 10 GLU HG2 . . 4.100 2.696 2.091 3.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 10 GLU HA 1 11 GLU H . . 3.900 3.598 3.491 3.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 10 GLU HA 1 13 LYS H . . 4.300 3.502 3.237 4.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 10 GLU HA 1 13 LYS QG . . 6.500 4.009 1.993 4.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 11 GLU H 1 11 GLU QB . . 3.000 2.265 2.073 2.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 11 GLU H 1 12 ILE H . . 3.400 2.729 2.396 2.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 11 GLU H 1 14 LYS QD . . 6.500 4.955 3.914 5.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 11 GLU HA 1 12 ILE H . . 4.600 3.645 3.551 3.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 11 GLU HA 1 13 LYS H . . 5.100 4.299 4.000 4.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 11 GLU HA 1 14 LYS H . . 5.000 3.530 3.082 4.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 11 GLU HA 1 14 LYS QE . . 6.500 4.757 3.438 5.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 11 GLU HA 1 14 LYS QG . . 5.900 3.915 2.095 4.626 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 11 GLU HA 1 15 HIS HD2 . . 5.500 4.487 3.978 5.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 11 GLU QB 1 12 ILE H . . 3.500 2.546 2.392 2.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 11 GLU QB 1 12 ILE HG13 . . 5.500 3.459 2.901 4.340 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 11 GLU QB 1 22 TRP HH2 . . 5.500 4.831 3.255 5.623 0.123 7 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 11 GLU QB 1 22 TRP HZ3 . . 5.500 3.443 2.348 4.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 11 GLU QG 1 12 ILE HA . . 6.500 4.319 3.393 5.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 11 GLU QG 1 14 LYS QG . . 7.500 5.482 3.762 5.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 11 GLU QG 1 15 HIS HD2 . . 6.500 3.926 2.180 5.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 11 GLU QG 1 22 TRP HH2 . . 6.500 3.966 2.914 5.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 11 GLU QG 1 22 TRP HZ3 . . 6.500 3.119 2.050 4.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 12 ILE H 1 12 ILE HB . . 3.300 2.454 2.252 2.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 12 ILE H 1 12 ILE HG12 . . 3.700 3.754 3.607 3.820 0.120 14 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 12 ILE H 1 12 ILE HG13 . . 4.100 2.516 2.099 3.155 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 12 ILE H 1 12 ILE MG . . 4.600 3.766 3.680 3.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 12 ILE H 1 13 LYS H . . 3.400 2.720 2.383 2.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 12 ILE H 1 13 LYS QG . . 6.500 4.733 4.012 5.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 12 ILE H 1 14 LYS H . . 4.800 4.074 3.806 4.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 12 ILE H 1 15 HIS HD2 . . 5.500 4.473 3.696 4.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 12 ILE H 1 22 TRP HE3 . . 5.500 4.442 4.167 4.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 12 ILE H 1 22 TRP HZ3 . . 5.500 4.312 3.871 4.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 12 ILE HA 1 12 ILE HG12 . . 4.400 3.123 2.542 3.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 12 ILE HA 1 12 ILE HG13 . . 3.500 2.333 2.117 2.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 12 ILE HA 1 13 LYS H . . 4.500 3.536 3.458 3.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 12 ILE HA 1 14 LYS H . . 4.700 3.658 3.349 4.106 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 12 ILE HA 1 15 HIS H . . 5.100 3.810 3.333 4.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 12 ILE HA 1 15 HIS HB2 . . 4.900 3.723 2.618 4.903 0.003 22 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 12 ILE HA 1 15 HIS HD2 . . 4.400 2.456 2.055 2.804 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 12 ILE HA 1 22 TRP HB2 . . 5.500 3.689 3.319 4.017 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 12 ILE HA 1 22 TRP HE3 . . 4.500 2.166 2.025 2.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 12 ILE HA 1 22 TRP HH2 . . 5.500 5.480 5.312 5.600 0.100 24 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 12 ILE HA 1 22 TRP HZ3 . . 5.100 3.352 3.158 3.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 12 ILE HA 1 29 VAL MG1 . . 6.500 4.269 3.558 4.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 12 ILE HB 1 15 HIS HD2 . . 5.500 5.366 4.902 5.618 0.118 28 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 12 ILE HG12 1 12 ILE MG . . 3.500 2.080 1.995 2.326 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 12 ILE HG12 1 13 LYS H . . 5.500 5.278 5.079 5.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 12 ILE HG12 1 15 HIS HD2 . . 5.500 5.199 4.632 5.544 0.044 25 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 12 ILE HG12 1 22 TRP HE3 . . 5.500 2.906 2.225 3.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 12 ILE HG12 1 22 TRP HZ3 . . 5.500 4.015 3.223 4.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 12 ILE HG12 1 29 VAL MG1 . . 6.100 2.712 1.903 3.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 12 ILE HG13 1 13 LYS H . . 5.000 4.569 4.276 4.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 12 ILE HG13 1 14 LYS H . . 5.500 5.502 5.362 5.634 0.134 20 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 12 ILE HG13 1 22 TRP HE3 . . 4.200 2.590 2.086 3.235 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 12 ILE HG13 1 22 TRP HH2 . . 5.500 5.309 4.918 5.551 0.051 4 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 12 ILE HG13 1 22 TRP HZ3 . . 5.500 2.861 2.450 3.143 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 12 ILE HG13 1 29 VAL MG1 . . 5.000 3.220 2.110 3.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 12 ILE HG13 1 29 VAL MG2 . . 5.700 3.091 2.476 4.171 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 12 ILE HG13 1 51 GLY HA2 . . 5.500 5.572 5.406 5.665 0.165 30 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 12 ILE HG13 1 79 LEU MD1 . . 5.500 4.414 3.474 4.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 12 ILE MG 1 13 LYS H . . 5.500 3.580 3.068 3.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 12 ILE MG 1 15 HIS HD2 . . 6.500 4.189 3.525 4.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 12 ILE MG 1 22 TRP HA . . 6.400 4.701 4.215 5.231 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 12 ILE MG 1 22 TRP HE3 . . 4.400 2.862 2.546 3.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 12 ILE MG 1 22 TRP HZ3 . . 5.600 4.656 4.525 4.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 12 ILE MG 1 29 VAL MG1 . . 7.500 3.352 2.355 4.201 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 12 ILE MG 1 29 VAL MG2 . . 7.500 3.226 2.508 4.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 13 LYS H 1 13 LYS QD . . 4.700 3.137 2.586 4.201 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 13 LYS H 1 13 LYS QG . . 4.900 2.642 1.971 3.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 13 LYS H 1 14 LYS H . . 3.600 2.680 2.477 3.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 13 LYS H 1 15 HIS HD2 . . 5.500 4.997 4.185 5.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 13 LYS HA 1 13 LYS QE . . 5.700 4.532 2.869 5.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 13 LYS HA 1 14 LYS H . . 4.500 3.273 2.841 3.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 13 LYS HA 1 15 HIS H . . 4.300 3.629 3.276 4.326 0.026 22 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 13 LYS HA 1 51 GLY H . . 5.500 5.253 4.575 5.573 0.073 9 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 13 LYS HA 1 51 GLY HA2 . . 4.200 3.653 3.031 4.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 13 LYS QB 1 14 LYS H . . 6.500 3.487 2.944 4.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 13 LYS QD 1 14 LYS H . . 6.500 5.144 4.553 5.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 14 LYS H 1 14 LYS QB . . 3.700 2.328 2.034 2.986 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 14 LYS H 1 14 LYS QD . . 5.200 3.984 2.830 4.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 14 LYS H 1 14 LYS QE . . 6.500 5.318 3.042 5.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 14 LYS H 1 15 HIS H . . 3.200 2.370 1.944 2.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 14 LYS H 1 15 HIS HD2 . . 5.500 3.672 2.435 4.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 14 LYS HA 1 16 ASN HD21 . . 5.500 4.793 3.443 5.556 0.056 27 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 14 LYS HA 1 17 HIS HD2 . . 5.500 5.047 3.997 5.508 0.008 2 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 14 LYS QB 1 15 HIS H . . 5.600 3.432 2.659 4.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 14 LYS QB 1 15 HIS HD2 . . 6.500 3.891 3.004 5.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 14 LYS QD 1 15 HIS H . . 6.500 5.158 4.124 5.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 14 LYS QD 1 15 HIS HD2 . . 6.500 5.327 3.580 5.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 14 LYS QG 1 15 HIS H . . 6.500 4.519 3.423 4.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 15 HIS H 1 15 HIS HB2 . . 3.800 2.589 2.223 3.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 15 HIS H 1 15 HIS HB3 . . 3.900 3.671 3.498 3.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 15 HIS H 1 15 HIS HD2 . . 4.100 3.148 2.130 3.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 15 HIS H 1 16 ASN H . . 4.100 3.337 2.107 3.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 15 HIS H 1 22 TRP H . . 5.200 5.190 4.908 5.296 0.096 7 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 15 HIS H 1 51 GLY HA3 . . 4.800 4.470 3.758 4.941 0.141 7 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 15 HIS HA 1 15 HIS HD2 . . 5.300 4.295 3.604 4.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 15 HIS HA 1 16 ASN H . . 3.300 2.906 2.037 3.393 0.093 4 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 15 HIS HA 1 16 ASN HB3 . . 5.500 5.458 4.620 6.450 0.950 7 7 "[ .*+ 1 . * -* . 3 * *. 4]" 1
289 1 15 HIS HA 1 17 HIS H . . 4.400 3.836 3.052 4.424 0.024 17 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 15 HIS HA 1 20 SER HB3 . . 5.500 3.884 2.338 5.606 0.106 24 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 15 HIS HB2 1 16 ASN H . . 4.100 3.313 2.008 4.192 0.092 28 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 15 HIS HB2 1 17 HIS HD2 . . 5.500 5.342 4.722 5.573 0.073 40 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 15 HIS HB2 1 22 TRP H . . 5.500 3.325 2.590 4.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 15 HIS HB3 1 22 TRP H . . 5.500 3.393 2.034 5.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 16 ASN H 1 16 ASN HB2 . . 4.000 3.715 2.407 4.039 0.039 4 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 16 ASN H 1 16 ASN HB3 . . 3.700 3.244 2.268 3.960 0.260 19 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 16 ASN H 1 20 SER HB2 . . 5.500 4.888 3.855 5.541 0.041 10 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 16 ASN H 1 20 SER HB3 . . 5.500 5.120 2.988 5.626 0.126 23 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 16 ASN H 1 50 ALA MB . . 6.100 4.130 2.908 5.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 16 ASN H 1 51 GLY HA3 . . 5.200 5.021 3.532 5.313 0.113 20 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 16 ASN HA 1 16 ASN HD22 . . 5.500 5.019 3.770 5.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 16 ASN HA 1 17 HIS H . . 3.300 2.742 2.324 3.312 0.012 36 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 16 ASN HA 1 17 HIS HD2 . . 5.500 5.011 4.048 5.618 0.118 33 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 16 ASN HA 1 21 THR HA . . 5.500 2.905 2.177 3.837 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 16 ASN HA 1 50 ALA MB . . 3.800 2.343 1.911 2.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 16 ASN HB2 1 50 ALA MB . . 5.200 2.640 2.010 4.250 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 16 ASN HB3 1 16 ASN HD21 . . 3.600 2.657 2.156 3.672 0.072 10 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 16 ASN HB3 1 50 ALA MB . . 6.500 2.648 1.914 4.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 17 HIS H 1 17 HIS HB2 . . 4.000 3.027 2.288 3.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 17 HIS H 1 17 HIS HB3 . . 4.100 3.600 3.114 3.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 17 HIS H 1 17 HIS HD2 . . 3.800 3.234 2.555 3.853 0.053 3 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 17 HIS H 1 19 LYS H . . 4.300 4.197 3.406 4.391 0.091 18 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 17 HIS H 1 20 SER H . . 4.200 3.577 2.879 4.237 0.037 17 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 17 HIS H 1 21 THR HA . . 5.300 3.693 2.909 4.179 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 17 HIS H 1 21 THR MG . . 6.500 5.203 4.738 5.504 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 17 HIS H 1 50 ALA MB . . 5.800 4.484 3.814 4.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 17 HIS HA 1 17 HIS HB2 . . 3.000 2.839 2.355 3.037 0.037 36 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 17 HIS HA 1 17 HIS HD2 . . 5.300 4.345 3.671 4.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 17 HIS HB3 1 17 HIS HD2 . . 3.900 3.424 2.556 3.924 0.024 37 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 19 LYS H 1 19 LYS HB2 . . 3.900 3.032 2.026 4.034 0.134 38 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 19 LYS H 1 19 LYS HB3 . . 3.400 3.280 2.762 3.495 0.095 20 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 19 LYS H 1 19 LYS QE . . 6.500 5.000 3.821 5.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 19 LYS H 1 20 SER H . . 3.500 2.352 1.872 3.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 19 LYS HA 1 20 SER H . . 3.600 3.301 2.681 3.616 0.016 37 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 19 LYS HA 1 33 THR MG . . 5.700 3.220 2.069 4.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 19 LYS HB2 1 20 SER H . . 4.500 4.058 2.931 4.543 0.043 27 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 19 LYS HB3 1 20 SER H . . 5.200 3.594 2.080 4.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 20 SER H 1 20 SER HB2 . . 4.400 3.062 2.500 4.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 20 SER H 1 20 SER HB3 . . 3.900 3.753 3.407 4.008 0.108 14 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 20 SER H 1 21 THR H . . 4.500 3.049 1.967 4.390 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 20 SER H 1 21 THR HB . . 5.500 4.865 3.870 5.593 0.093 17 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 20 SER H 1 33 THR HA . . 5.500 5.110 4.004 5.582 0.082 24 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 20 SER H 1 33 THR HB . . 5.500 4.904 4.122 5.613 0.113 37 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 20 SER H 1 33 THR MG . . 5.400 3.826 2.398 4.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 20 SER HA 1 21 THR H . . 3.000 2.511 2.138 3.041 0.041 12 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 20 SER HA 1 22 TRP HD1 . . 5.500 3.915 3.383 4.662 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 20 SER HA 1 22 TRP HE1 . . 5.500 4.093 3.400 5.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 20 SER HA 1 33 THR H . . 4.900 4.543 3.861 4.936 0.036 25 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 20 SER HA 1 33 THR HB . . 5.500 3.028 2.091 4.019 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 20 SER HB2 1 21 THR H . . 5.500 4.366 3.488 4.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 20 SER HB3 1 21 THR H . . 5.500 4.236 3.372 4.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 21 THR H 1 21 THR HB . . 3.400 2.435 2.085 2.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 21 THR H 1 22 TRP HD1 . . 5.500 3.868 2.864 4.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 21 THR H 1 33 THR HA . . 3.300 3.162 2.776 3.401 0.101 21 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 21 THR H 1 33 THR HB . . 5.500 3.034 1.908 4.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 21 THR H 1 33 THR MG . . 5.200 3.393 2.155 3.821 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 21 THR HA 1 22 TRP H . . 3.000 2.265 2.122 2.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 21 THR HA 1 22 TRP HA . . 4.800 4.460 4.384 4.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 21 THR HA 1 50 ALA MB . . 6.300 3.027 2.527 3.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 21 THR HB 1 32 LEU H . . 5.500 3.679 3.241 4.232 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 21 THR HB 1 32 LEU MD1 . . 6.500 5.395 5.177 5.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 21 THR HB 1 32 LEU HG . . 5.500 5.040 4.613 5.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 21 THR HB 1 33 THR H . . 5.500 3.394 2.879 4.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 21 THR HB 1 33 THR HB . . 4.800 3.931 3.181 4.861 0.061 37 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 21 THR HB 1 33 THR MG . . 5.600 4.234 3.276 4.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 21 THR HB 1 36 LEU MD1 . . 5.500 3.012 2.335 3.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 21 THR HB 1 36 LEU MD2 . . 4.900 3.300 2.136 3.810 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 21 THR MG 1 22 TRP H . . 5.500 3.572 3.116 3.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 21 THR MG 1 22 TRP HA . . 6.500 4.095 3.864 4.353 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 21 THR MG 1 22 TRP HB2 . . 6.500 5.287 5.080 5.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 21 THR MG 1 23 LEU H . . 6.500 5.262 5.042 5.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 21 THR MG 1 23 LEU MD2 . . 7.500 2.994 2.519 3.360 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 21 THR MG 1 32 LEU H . . 6.500 3.388 3.019 3.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 21 THR MG 1 33 THR HA . . 4.400 3.722 3.669 3.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 21 THR MG 1 36 LEU MD1 . . 5.400 2.825 2.104 3.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 21 THR MG 1 36 LEU MD2 . . 4.400 2.132 1.925 2.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 21 THR MG 1 47 ARG H . . 5.600 3.896 3.632 4.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 21 THR MG 1 47 ARG HA . . 5.600 2.827 2.496 3.227 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 21 THR MG 1 50 ALA HA . . 5.000 3.390 2.985 3.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 21 THR MG 1 50 ALA MB . . 5.000 2.369 2.036 2.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 21 THR MG 1 51 GLY H . . 5.400 4.433 4.226 4.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 22 TRP H 1 22 TRP HB2 . . 4.000 2.317 2.192 2.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 22 TRP H 1 22 TRP HB3 . . 4.000 3.572 3.458 3.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 22 TRP H 1 22 TRP HD1 . . 4.800 3.236 2.905 3.678 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 22 TRP H 1 23 LEU HG . . 5.500 5.298 5.052 5.576 0.076 36 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 22 TRP H 1 31 ASP HA . . 4.900 4.680 4.456 4.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 22 TRP H 1 50 ALA HA . . 5.300 4.483 3.878 5.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 22 TRP H 1 50 ALA MB . . 5.500 3.511 3.071 3.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 22 TRP H 1 51 GLY H . . 3.900 3.574 3.035 3.962 0.062 34 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 22 TRP HA 1 22 TRP HD1 . . 3.700 2.368 2.206 2.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 22 TRP HA 1 22 TRP HE1 . . 5.500 4.635 4.477 4.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 22 TRP HA 1 22 TRP HE3 . . 5.500 5.000 4.706 5.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 22 TRP HA 1 23 LEU H . . 3.100 2.475 2.381 2.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 22 TRP HA 1 23 LEU HA . . 5.500 4.624 4.564 4.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 22 TRP HA 1 23 LEU MD1 . . 6.500 4.542 4.354 4.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 22 TRP HA 1 23 LEU HG . . 5.500 3.337 3.167 3.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 22 TRP HA 1 29 VAL MG1 . . 6.500 4.451 4.064 4.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 22 TRP HA 1 30 TYR HB3 . . 5.500 5.139 4.797 5.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 22 TRP HA 1 31 ASP HA . . 3.200 2.276 2.097 2.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 22 TRP HA 1 31 ASP HB3 . . 5.500 5.158 4.922 5.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 22 TRP HA 1 32 LEU H . . 3.500 3.264 2.930 3.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 22 TRP HA 1 32 LEU MD2 . . 6.500 4.496 3.787 5.110 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 22 TRP HA 1 76 ILE MD . . 6.500 5.161 3.783 5.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 22 TRP HB2 1 22 TRP HE3 . . 4.300 3.123 2.949 3.367 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 22 TRP HB2 1 23 LEU H . . 4.200 3.625 3.478 4.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 22 TRP HB2 1 29 VAL MG1 . . 6.500 4.449 3.602 5.046 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 22 TRP HB3 1 22 TRP HE3 . . 4.200 2.731 2.467 2.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 22 TRP HB3 1 23 LEU H . . 3.400 2.322 2.165 2.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 22 TRP HB3 1 23 LEU HG . . 5.500 4.756 4.628 5.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 22 TRP HB3 1 29 VAL MG1 . . 5.700 3.128 2.381 3.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 22 TRP HD1 1 23 LEU H . . 5.500 4.641 4.444 4.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 22 TRP HD1 1 31 ASP HA . . 4.100 2.388 2.094 2.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 22 TRP HD1 1 31 ASP HB2 . . 5.500 3.052 2.545 3.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 22 TRP HD1 1 31 ASP HB3 . . 5.400 4.283 3.890 4.707 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 22 TRP HD1 1 32 LEU H . . 5.500 3.764 3.357 4.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 22 TRP HD1 1 76 ILE MD . . 6.500 4.656 3.070 5.159 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 22 TRP HD1 1 76 ILE HG13 . . 5.500 5.480 5.255 5.640 0.140 9 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 22 TRP HD1 1 76 ILE MG . . 6.500 4.757 4.343 5.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 22 TRP HE1 1 31 ASP HA . . 5.500 3.977 3.571 4.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 22 TRP HE1 1 31 ASP HB2 . . 5.500 2.727 2.391 3.235 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 22 TRP HE1 1 31 ASP HB3 . . 4.900 3.994 3.623 4.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 22 TRP HE1 1 76 ILE MD . . 5.100 3.673 2.396 4.266 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 22 TRP HE1 1 76 ILE MG . . 6.300 3.591 3.060 4.117 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 22 TRP HE3 1 29 VAL MG1 . . 4.300 2.806 2.283 3.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 22 TRP HE3 1 29 VAL MG2 . . 6.500 3.939 3.319 4.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 22 TRP HE3 1 76 ILE MD . . 6.100 3.423 3.060 3.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 22 TRP HH2 1 29 VAL MG1 . . 6.500 4.339 3.473 5.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 22 TRP HH2 1 76 ILE MD . . 5.400 2.958 2.639 3.720 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 22 TRP HZ2 1 29 VAL MG1 . . 6.500 4.808 4.090 5.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 22 TRP HZ2 1 76 ILE MD . . 4.700 2.713 2.302 3.067 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
421 1 22 TRP HZ3 1 29 VAL MG1 . . 6.100 3.257 2.665 3.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 22 TRP HZ3 1 29 VAL MG2 . . 6.500 4.226 3.504 4.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 22 TRP HZ3 1 76 ILE MD . . 6.500 3.292 2.900 4.171 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 23 LEU H 1 23 LEU HG . . 4.000 2.720 2.556 2.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 23 LEU H 1 24 ILE H . . 5.000 4.318 4.261 4.385 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 23 LEU H 1 29 VAL HA . . 5.500 4.027 3.677 4.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 23 LEU H 1 29 VAL MG1 . . 5.900 3.673 3.113 4.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 23 LEU H 1 30 TYR CG . . 7.500 5.621 5.230 5.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 23 LEU H 1 30 TYR H . . 3.700 2.838 2.649 3.091 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 23 LEU H 1 30 TYR HB3 . . 4.900 4.708 4.178 4.936 0.036 11 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 23 LEU H 1 32 LEU MD2 . . 6.500 4.865 4.106 5.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 23 LEU H 1 32 LEU HG . . 5.500 5.018 4.492 5.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 23 LEU HA 1 24 ILE H . . 3.200 2.525 2.351 2.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 23 LEU HA 1 51 GLY H . . 4.400 2.615 2.190 3.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 23 LEU HA 1 52 GLY H . . 3.600 2.520 2.336 2.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 23 LEU QB 1 24 ILE H . . 5.000 2.368 2.062 2.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 23 LEU QB 1 50 ALA HA . . 6.500 2.311 1.936 2.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 23 LEU QB 1 51 GLY H . . 6.500 3.140 2.920 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 23 LEU QB 1 52 GLY H . . 6.500 3.161 2.826 3.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 23 LEU QB 1 54 ALA MB . . 7.500 2.456 2.020 2.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 23 LEU MD1 1 24 ILE H . . 5.300 3.171 2.652 3.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 23 LEU MD1 1 25 LEU H . . 6.400 2.987 2.155 3.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 23 LEU MD1 1 25 LEU HB2 . . 6.500 2.904 2.224 4.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 23 LEU MD1 1 25 LEU MD1 . . 6.200 1.978 1.826 2.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 23 LEU MD1 1 25 LEU MD2 . . 7.500 3.142 1.961 3.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 23 LEU MD1 1 25 LEU HG . . 4.600 1.991 1.874 2.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 23 LEU MD1 1 30 TYR CG . . 7.300 3.392 3.117 3.795 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 23 LEU MD1 1 30 TYR CZ . . 8.500 5.159 4.710 5.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 23 LEU MD1 1 30 TYR H . . 5.700 3.034 2.634 3.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 23 LEU MD1 1 30 TYR HB2 . . 4.800 2.006 1.845 2.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 23 LEU MD1 1 30 TYR HB3 . . 5.800 2.825 2.297 3.514 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 23 LEU MD1 1 32 LEU MD1 . . 5.100 2.705 2.100 3.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 23 LEU MD1 1 32 LEU MD2 . . 6.700 2.726 2.044 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 23 LEU MD1 1 46 LEU HA . . 6.500 5.393 5.199 5.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 23 LEU MD1 1 50 ALA HA . . 6.500 5.041 4.655 5.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 23 LEU MD1 1 54 ALA H . . 6.500 3.776 3.006 4.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 23 LEU MD1 1 54 ALA MB . . 5.100 2.613 2.028 3.068 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 23 LEU MD2 1 24 ILE H . . 5.700 4.508 4.181 4.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 23 LEU MD2 1 25 LEU MD1 . . 7.400 2.782 2.191 3.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 23 LEU MD2 1 32 LEU HB3 . . 6.500 4.331 3.381 4.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 23 LEU MD2 1 32 LEU MD1 . . 6.200 1.930 1.804 2.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 23 LEU MD2 1 32 LEU MD2 . . 7.500 3.195 2.569 3.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 23 LEU MD2 1 32 LEU HG . . 6.500 2.323 1.951 2.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 23 LEU MD2 1 46 LEU HA . . 5.500 3.092 2.923 3.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 23 LEU MD2 1 49 GLN H . . 6.200 4.512 4.127 4.838 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 23 LEU MD2 1 49 GLN HB2 . . 4.000 3.341 2.983 3.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 23 LEU MD2 1 49 GLN HB3 . . 6.400 4.149 3.675 4.622 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 23 LEU MD2 1 49 GLN HG2 . . 6.500 5.392 4.874 5.747 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 23 LEU MD2 1 49 GLN HG3 . . 5.100 5.091 4.587 5.985 0.885 4 5 "[ +. * 1 - . 2* . 3 . * 4]" 1
470 1 23 LEU MD2 1 50 ALA H . . 6.500 4.548 4.123 4.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 23 LEU MD2 1 50 ALA HA . . 5.300 3.430 2.973 3.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 23 LEU MD2 1 50 ALA MB . . 7.400 4.062 3.454 4.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 23 LEU MD2 1 54 ALA H . . 6.500 4.679 3.965 5.067 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 23 LEU MD2 1 54 ALA MB . . 5.100 2.627 2.105 2.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 23 LEU HG 1 24 ILE H . . 5.500 4.705 4.411 5.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 24 ILE H 1 24 ILE HB . . 3.400 2.499 2.188 2.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 24 ILE H 1 24 ILE QG . . 3.600 2.793 2.450 3.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 24 ILE H 1 24 ILE MG . . 4.600 3.788 3.523 3.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 24 ILE H 1 25 LEU MD2 . . 6.200 4.941 3.510 5.339 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 24 ILE H 1 52 GLY H . . 5.500 3.446 3.021 3.815 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 24 ILE H 1 53 ASP HA . . 3.300 3.178 2.719 3.395 0.095 36 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 24 ILE H 1 53 ASP HB3 . . 5.500 5.681 4.845 6.248 0.748 36 13 "[ ** * 1- *.* 2 * .* * *.+** 4]" 1
483 1 24 ILE H 1 54 ALA H . . 3.600 2.938 2.379 3.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 24 ILE H 1 54 ALA MB . . 5.500 3.678 3.202 3.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 24 ILE HA 1 24 ILE QG . . 3.900 2.693 2.248 3.203 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 24 ILE HA 1 25 LEU H . . 3.100 2.282 2.168 2.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 24 ILE HA 1 29 VAL HA . . 4.700 2.925 2.704 3.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 24 ILE HA 1 29 VAL MG1 . . 6.500 4.742 3.507 5.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 24 ILE HA 1 29 VAL MG2 . . 6.500 3.936 3.457 4.849 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 24 ILE HA 1 30 TYR CG . . 7.500 5.512 5.051 5.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 24 ILE HA 1 30 TYR CZ . . 7.500 6.839 6.087 7.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 24 ILE HA 1 30 TYR H . . 3.600 3.566 3.175 3.694 0.094 27 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 24 ILE HB 1 53 ASP HA . . 3.700 2.305 1.994 2.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 24 ILE HB 1 53 ASP QB . . 6.500 3.680 3.070 4.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 24 ILE QG 1 25 LEU H . . 4.800 4.622 4.225 5.081 0.281 17 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 24 ILE QG 1 29 VAL HA . . 5.500 3.976 3.103 4.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 24 ILE QG 1 53 ASP H . . 5.500 5.122 4.205 5.733 0.233 29 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 24 ILE QG 1 53 ASP HA . . 5.500 4.093 3.237 4.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 25 LEU H 1 25 LEU HB2 . . 4.300 2.409 2.222 2.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 25 LEU H 1 25 LEU HB3 . . 3.900 3.600 3.411 3.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 25 LEU H 1 25 LEU MD1 . . 4.700 3.963 3.924 4.017 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 25 LEU H 1 25 LEU MD2 . . 5.000 4.105 3.311 4.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 25 LEU H 1 25 LEU HG . . 4.400 3.312 2.581 3.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 25 LEU H 1 26 HIS H . . 5.500 3.849 2.457 4.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 25 LEU H 1 29 VAL HA . . 5.500 3.999 3.158 4.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 25 LEU H 1 30 TYR CG . . 7.500 4.139 3.622 4.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 25 LEU H 1 30 TYR CZ . . 7.400 4.969 4.189 5.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 25 LEU HA 1 25 LEU MD2 . . 4.200 2.016 1.911 2.232 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
509 1 25 LEU HA 1 26 HIS H . . 3.100 2.255 2.074 3.085 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 25 LEU HA 1 55 THR HA . . 4.000 3.277 2.035 3.760 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 25 LEU HA 1 55 THR MG . . 6.500 3.611 2.856 4.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 25 LEU HB2 1 26 HIS H . . 4.200 4.496 3.863 4.667 0.467 23 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 25 LEU HB2 1 26 HIS HD2 . . 5.200 3.927 2.584 5.271 0.071 33 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 25 LEU HB2 1 30 TYR CG . . 7.500 3.405 2.701 4.367 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 25 LEU HB2 1 30 TYR CZ . . 6.900 3.775 3.009 4.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 25 LEU HB2 1 30 TYR H . . 5.500 4.851 4.096 5.926 0.426 35 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 25 LEU HB2 1 54 ALA H . . 5.500 5.691 5.219 6.300 0.800 6 8 "[ * .+ 1 * . * 2 .* - * *]" 1
518 1 25 LEU HB2 1 55 THR H . . 5.500 5.810 5.353 6.129 0.629 30 1 "[ . 1 . 2 . + . 4]" 1
519 1 25 LEU HB2 1 55 THR HA . . 5.500 5.420 4.282 5.739 0.239 7 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 25 LEU HB3 1 25 LEU MD1 . . 3.300 2.484 2.171 2.631 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 25 LEU HB3 1 26 HIS H . . 5.100 3.985 3.310 4.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 25 LEU HB3 1 26 HIS HD2 . . 5.500 2.709 2.102 4.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 25 LEU HB3 1 30 TYR CG . . 6.800 4.805 3.766 5.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 25 LEU HB3 1 30 TYR CZ . . 5.900 4.291 3.432 5.684 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 25 LEU MD1 1 26 HIS H . . 6.500 5.374 4.953 5.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 25 LEU MD1 1 26 HIS HD2 . . 5.900 4.377 3.704 4.904 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 25 LEU MD1 1 30 TYR CG . . 7.300 3.586 2.755 4.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 25 LEU MD1 1 30 TYR CZ . . 6.800 4.324 3.491 5.110 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 25 LEU MD1 1 30 TYR H . . 6.500 5.114 4.762 5.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 25 LEU MD1 1 30 TYR HB3 . . 5.500 3.724 2.826 4.169 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 25 LEU MD1 1 32 LEU MD2 . . 7.500 3.241 2.680 3.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 25 LEU MD1 1 54 ALA H . . 6.400 4.863 4.440 5.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 25 LEU MD1 1 54 ALA MB . . 6.700 2.924 2.360 3.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 25 LEU MD1 1 55 THR H . . 6.500 5.111 4.836 5.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 25 LEU MD1 1 55 THR HA . . 5.200 4.387 4.348 4.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 25 LEU MD1 1 58 PHE H . . 6.500 4.817 4.092 5.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 25 LEU MD1 1 58 PHE HB3 . . 6.500 4.069 2.887 4.659 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 25 LEU MD1 1 71 SER HA . . 6.500 5.051 4.509 5.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 25 LEU MD1 1 71 SER QB . . 7.500 3.930 3.316 4.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 25 LEU MD2 1 26 HIS H . . 5.300 3.566 2.837 4.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 25 LEU MD2 1 26 HIS QB . . 7.500 4.861 4.180 5.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 25 LEU MD2 1 26 HIS HD2 . . 6.500 3.559 2.410 5.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 25 LEU MD2 1 30 TYR CZ . . 8.500 5.718 4.982 6.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 25 LEU MD2 1 54 ALA H . . 4.600 3.425 2.646 3.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 25 LEU MD2 1 54 ALA MB . . 5.100 2.220 1.750 2.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 25 LEU MD2 1 55 THR H . . 4.700 2.743 2.409 3.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 25 LEU MD2 1 55 THR HA . . 3.400 1.970 1.851 2.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 25 LEU MD2 1 55 THR MG . . 7.000 3.255 2.432 4.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 25 LEU MD2 1 58 PHE H . . 4.800 3.205 2.755 3.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 25 LEU MD2 1 58 PHE HB2 . . 5.000 2.120 1.918 2.854 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 25 LEU MD2 1 58 PHE HB3 . . 4.100 2.471 2.042 3.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 25 LEU MD2 1 59 GLU H . . 6.400 4.475 3.412 4.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 25 LEU HG 1 26 HIS H . . 5.500 4.723 4.485 4.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 25 LEU HG 1 30 TYR CG . . 7.500 5.159 3.909 5.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 25 LEU HG 1 30 TYR CZ . . 7.500 6.122 5.211 7.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 25 LEU HG 1 30 TYR HB2 . . 5.500 4.359 2.987 5.033 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 25 LEU HG 1 54 ALA H . . 5.500 3.614 3.105 4.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
558 1 25 LEU HG 1 54 ALA MB . . 5.400 2.610 2.166 3.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
559 1 25 LEU HG 1 55 THR H . . 5.500 4.103 3.488 5.106 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
560 1 25 LEU HG 1 55 THR HA . . 5.500 4.277 3.748 4.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
561 1 26 HIS H 1 26 HIS HD2 . . 5.500 3.838 2.491 4.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
562 1 26 HIS H 1 27 HIS H . . 4.500 3.179 2.710 4.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
563 1 26 HIS H 1 28 LYS H . . 5.500 4.158 2.777 4.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
564 1 26 HIS H 1 55 THR H . . 4.400 4.073 3.411 4.503 0.103 35 0 "[ . 1 . 2 . 3 . 4]" 1
565 1 26 HIS H 1 55 THR HA . . 4.900 4.224 3.502 4.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
566 1 26 HIS H 1 55 THR MG . . 4.300 2.895 2.023 3.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
567 1 26 HIS HA 1 27 HIS H . . 3.500 2.459 2.277 2.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
568 1 26 HIS HA 1 55 THR MG . . 4.700 3.009 2.055 3.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
569 1 26 HIS QB 1 27 HIS H . . 6.100 3.735 1.950 4.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
570 1 26 HIS QB 1 28 LYS H . . 6.500 4.291 2.335 5.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
571 1 26 HIS QB 1 30 TYR CZ . . 8.500 5.078 3.594 6.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
572 1 26 HIS QB 1 55 THR MG . . 6.300 3.873 2.662 4.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
573 1 26 HIS HD2 1 55 THR MG . . 6.500 4.065 2.507 5.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 1 27 HIS H 1 28 LYS H . . 3.700 3.100 2.826 3.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
575 1 27 HIS HA 1 28 LYS H . . 4.000 2.783 2.584 3.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
576 1 27 HIS HA 1 79 LEU H . . 5.000 4.513 3.791 5.046 0.046 12 0 "[ . 1 . 2 . 3 . 4]" 1
577 1 27 HIS QB 1 28 LYS QD . . 5.600 4.370 3.120 5.216 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
578 1 27 HIS QB 1 79 LEU MD2 . . 6.500 3.270 2.612 4.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
579 1 27 HIS QB 1 79 LEU HG . . 5.500 5.338 4.626 5.692 0.192 32 0 "[ . 1 . 2 . 3 . 4]" 1
580 1 28 LYS H 1 28 LYS QG . . 4.800 3.755 2.097 4.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
581 1 28 LYS H 1 30 TYR CZ . . 7.500 6.180 5.396 7.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
582 1 28 LYS HA 1 29 VAL H . . 4.100 2.531 2.345 2.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
583 1 28 LYS HA 1 29 VAL MG2 . . 5.900 3.587 3.033 3.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
584 1 28 LYS HA 1 78 GLU H . . 5.500 5.004 4.659 5.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
585 1 28 LYS HA 1 78 GLU HA . . 5.500 2.149 1.925 2.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
586 1 28 LYS HA 1 78 GLU QG . . 6.500 3.239 1.977 5.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
587 1 28 LYS HA 1 79 LEU H . . 3.800 2.804 2.021 3.810 0.010 19 0 "[ . 1 . 2 . 3 . 4]" 1
588 1 28 LYS QB 1 30 TYR CG . . 8.500 4.195 3.791 5.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
589 1 28 LYS QB 1 30 TYR CZ . . 8.200 3.522 3.072 4.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
590 1 28 LYS QB 1 75 ILE MD . . 7.500 2.300 1.932 4.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
591 1 29 VAL H 1 29 VAL HB . . 3.500 2.267 2.072 2.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
592 1 29 VAL H 1 29 VAL MG1 . . 4.100 3.521 3.437 3.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
593 1 29 VAL H 1 29 VAL MG2 . . 3.800 2.880 1.825 3.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
594 1 29 VAL H 1 30 TYR CG . . 7.500 5.280 4.988 5.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
595 1 29 VAL H 1 75 ILE QG . . 5.500 3.097 2.794 5.686 0.186 34 0 "[ . 1 . 2 . 3 . 4]" 1
596 1 29 VAL H 1 75 ILE MG . . 5.600 4.656 4.197 4.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
597 1 29 VAL H 1 77 GLY H . . 3.800 3.540 3.206 3.820 0.020 12 0 "[ . 1 . 2 . 3 . 4]" 1
598 1 29 VAL H 1 78 GLU HA . . 4.000 2.341 2.020 2.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
599 1 29 VAL HA 1 30 TYR CG . . 7.400 4.896 4.624 5.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
600 1 29 VAL HA 1 30 TYR CZ . . 7.500 6.581 6.012 7.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
601 1 29 VAL HA 1 30 TYR H . . 2.900 2.200 2.089 2.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
602 1 29 VAL HA 1 75 ILE HA . . 5.500 5.461 5.294 5.542 0.042 40 0 "[ . 1 . 2 . 3 . 4]" 1
603 1 29 VAL HB 1 30 TYR H . . 4.600 4.395 3.744 4.607 0.007 11 0 "[ . 1 . 2 . 3 . 4]" 1
604 1 29 VAL HB 1 76 ILE H . . 5.500 4.097 3.294 4.732 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
605 1 29 VAL HB 1 76 ILE MD . . 5.500 3.319 1.993 4.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
606 1 29 VAL HB 1 76 ILE HG12 . . 5.500 5.169 4.230 5.584 0.084 32 0 "[ . 1 . 2 . 3 . 4]" 1
607 1 29 VAL HB 1 77 GLY H . . 5.500 3.373 2.748 3.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
608 1 29 VAL MG1 1 30 TYR H . . 4.300 3.048 2.443 3.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
609 1 29 VAL MG1 1 76 ILE H . . 6.500 3.332 2.779 4.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
610 1 29 VAL MG1 1 76 ILE MD . . 5.600 1.896 1.742 2.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
611 1 29 VAL MG1 1 77 GLY H . . 6.000 3.527 2.750 5.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
612 1 29 VAL MG2 1 30 TYR H . . 5.400 4.086 3.778 4.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
613 1 29 VAL MG2 1 76 ILE MD . . 7.300 3.614 2.920 4.236 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
614 1 29 VAL MG2 1 76 ILE HG12 . . 6.500 5.498 5.415 5.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
615 1 29 VAL MG2 1 77 GLY H . . 6.500 4.669 3.557 5.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
616 1 29 VAL MG2 1 78 GLU H . . 5.700 3.691 2.792 4.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
617 1 29 VAL MG2 1 78 GLU HA . . 5.100 2.847 2.218 3.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
618 1 30 TYR CG 1 32 LEU MD2 . . 7.200 3.638 3.245 3.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
619 1 30 TYR CG 1 71 SER HA . . 7.500 4.846 3.920 6.144 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
620 1 30 TYR CG 1 71 SER QB . . 8.500 4.190 3.309 5.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
621 1 30 TYR CG 1 74 PHE CG . . 9.500 5.819 5.429 6.249 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
622 1 30 TYR CG 1 74 PHE H . . 7.000 5.765 5.381 6.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
623 1 30 TYR CG 1 74 PHE HA . . 6.900 6.070 5.830 6.352 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
624 1 30 TYR CG 1 74 PHE HB2 . . 6.400 4.073 3.628 4.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
625 1 30 TYR CG 1 75 ILE HA . . 7.500 3.562 3.124 4.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
626 1 30 TYR CG 1 75 ILE MD . . 8.500 4.165 2.666 5.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
627 1 30 TYR CG 1 75 ILE QG . . 7.500 3.221 2.751 6.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
628 1 30 TYR CZ 1 30 TYR H . . 6.500 5.764 5.344 6.114 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
629 1 30 TYR CZ 1 30 TYR HA . . 5.900 5.011 4.843 5.133 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
630 1 30 TYR CZ 1 32 LEU MD1 . . 8.500 6.848 6.374 7.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
631 1 30 TYR CZ 1 71 SER HA . . 7.500 4.583 3.604 5.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
632 1 30 TYR CZ 1 71 SER QB . . 8.500 3.021 2.275 3.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
633 1 30 TYR CZ 1 72 LYS QG . . 8.500 6.693 5.162 7.712 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
634 1 30 TYR CZ 1 74 PHE HA . . 7.500 7.444 6.886 7.783 0.283 31 0 "[ . 1 . 2 . 3 . 4]" 1
635 1 30 TYR CZ 1 74 PHE HB2 . . 7.500 4.999 4.367 5.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
636 1 30 TYR CZ 1 75 ILE HA . . 7.500 4.650 4.202 5.269 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
637 1 30 TYR CZ 1 75 ILE MD . . 7.600 2.771 2.383 4.849 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
638 1 30 TYR CZ 1 75 ILE QG . . 7.500 3.121 2.600 5.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
639 1 30 TYR CZ 1 75 ILE MG . . 8.500 5.154 2.525 6.068 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
640 1 30 TYR H 1 30 TYR HB2 . . 3.400 2.213 2.077 2.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
641 1 30 TYR H 1 30 TYR HB3 . . 3.300 3.441 3.336 3.496 0.196 33 0 "[ . 1 . 2 . 3 . 4]" 1
642 1 30 TYR H 1 76 ILE MD . . 6.500 4.938 4.054 5.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
643 1 30 TYR H 1 76 ILE HG13 . . 5.500 4.428 3.955 4.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
644 1 30 TYR HA 1 31 ASP H . . 2.900 2.328 2.114 2.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
645 1 30 TYR HA 1 75 ILE HA . . 3.100 2.163 1.983 2.487 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
646 1 30 TYR HA 1 76 ILE H . . 3.800 2.745 2.259 3.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
647 1 30 TYR HA 1 76 ILE HG13 . . 5.500 3.362 2.904 3.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
648 1 30 TYR HA 1 76 ILE MG . . 6.500 3.748 3.234 4.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
649 1 30 TYR HB2 1 32 LEU MD2 . . 4.400 3.133 2.695 3.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
650 1 30 TYR HB3 1 32 LEU MD1 . . 5.400 4.019 3.581 4.321 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
651 1 30 TYR HB3 1 32 LEU MD2 . . 4.700 2.083 1.911 2.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
652 1 30 TYR HB3 1 32 LEU HG . . 4.900 3.847 3.235 4.385 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
653 1 31 ASP H 1 31 ASP HB2 . . 3.300 3.093 2.812 3.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
654 1 31 ASP H 1 31 ASP HB3 . . 3.200 2.667 2.358 2.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
655 1 31 ASP H 1 74 PHE CG . . 7.500 4.509 4.121 4.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
656 1 31 ASP H 1 74 PHE HA . . 3.500 3.483 3.224 3.638 0.138 34 0 "[ . 1 . 2 . 3 . 4]" 1
657 1 31 ASP H 1 74 PHE HB2 . . 4.600 3.918 3.293 4.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
658 1 31 ASP H 1 75 ILE HA . . 4.400 3.781 3.347 4.111 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
659 1 31 ASP H 1 76 ILE MD . . 6.500 5.145 4.004 5.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
660 1 31 ASP H 1 76 ILE HG12 . . 5.500 4.076 2.889 4.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
661 1 31 ASP H 1 76 ILE HG13 . . 5.500 4.055 3.408 4.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
662 1 31 ASP H 1 76 ILE MG . . 4.700 3.099 2.486 3.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
663 1 31 ASP HA 1 32 LEU H . . 3.900 2.153 2.102 2.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
664 1 31 ASP HA 1 33 THR H . . 3.700 3.417 3.180 3.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
665 1 31 ASP HA 1 76 ILE MD . . 6.500 5.040 3.540 5.385 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
666 1 31 ASP HA 1 76 ILE HG12 . . 5.500 4.140 3.815 4.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
667 1 31 ASP HA 1 76 ILE MG . . 6.100 4.167 3.760 4.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
668 1 31 ASP HB2 1 74 PHE CG . . 7.500 7.093 6.690 7.519 0.019 30 0 "[ . 1 . 2 . 3 . 4]" 1
669 1 31 ASP HB2 1 76 ILE HB . . 5.500 4.189 3.889 4.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
670 1 31 ASP HB2 1 76 ILE MD . . 5.400 3.559 2.060 4.093 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
671 1 31 ASP HB2 1 76 ILE HG13 . . 5.000 3.318 2.700 4.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
672 1 31 ASP HB2 1 76 ILE MG . . 4.800 2.258 1.903 2.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
673 1 31 ASP HB3 1 32 LEU H . . 4.400 4.345 4.190 4.444 0.044 8 0 "[ . 1 . 2 . 3 . 4]" 1
674 1 31 ASP HB3 1 74 PHE CG . . 7.500 5.740 5.240 6.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
675 1 32 LEU H 1 32 LEU HB2 . . 3.900 3.039 2.509 3.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
676 1 32 LEU H 1 32 LEU HB3 . . 4.000 3.755 3.642 3.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
677 1 32 LEU H 1 32 LEU MD1 . . 5.100 3.986 3.760 4.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
678 1 32 LEU H 1 32 LEU MD2 . . 4.600 2.882 2.616 3.169 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
679 1 32 LEU H 1 32 LEU HG . . 4.100 2.477 2.062 2.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
680 1 32 LEU H 1 33 THR H . . 3.300 2.494 2.209 3.093 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
681 1 32 LEU H 1 33 THR HA . . 5.500 4.440 4.191 4.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
682 1 32 LEU H 1 34 LYS H . . 5.500 5.089 4.634 5.519 0.019 33 0 "[ . 1 . 2 . 3 . 4]" 1
683 1 32 LEU HA 1 32 LEU MD2 . . 3.800 2.508 1.995 2.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
684 1 32 LEU HA 1 32 LEU HG . . 4.400 3.638 3.479 3.786 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
685 1 32 LEU HA 1 33 THR H . . 4.000 3.047 2.715 3.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
686 1 32 LEU HA 1 35 PHE CG . . 7.500 4.197 3.839 4.514 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
687 1 32 LEU HA 1 35 PHE H . . 3.300 3.170 2.854 3.331 0.031 19 0 "[ . 1 . 2 . 3 . 4]" 1
688 1 32 LEU HA 1 35 PHE HB2 . . 4.100 2.997 2.761 3.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
689 1 32 LEU HA 1 35 PHE HB3 . . 4.900 2.409 2.095 2.732 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
690 1 32 LEU HA 1 36 LEU H . . 5.100 4.471 4.249 4.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
691 1 32 LEU HA 1 36 LEU MD2 . . 6.500 5.194 4.087 5.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
692 1 32 LEU HA 1 74 PHE CG . . 7.500 4.164 3.731 4.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
693 1 32 LEU HB2 1 32 LEU HG . . 2.800 2.448 2.280 2.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
694 1 32 LEU HB2 1 35 PHE CG . . 7.500 4.842 3.710 6.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
695 1 32 LEU HB2 1 35 PHE HB3 . . 5.100 3.229 2.251 4.275 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
696 1 32 LEU HB2 1 36 LEU H . . 5.500 4.345 3.743 5.353 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
697 1 32 LEU HB2 1 36 LEU MD2 . . 4.900 3.287 2.476 4.146 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
698 1 32 LEU HB3 1 35 PHE CG . . 7.500 3.548 3.081 4.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
699 1 32 LEU HB3 1 35 PHE HB2 . . 5.300 3.595 3.052 4.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
700 1 32 LEU HB3 1 35 PHE HB3 . . 5.500 2.249 2.058 2.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
701 1 32 LEU MD1 1 33 THR H . . 6.500 5.463 5.404 5.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
702 1 32 LEU MD1 1 35 PHE CG . . 7.100 4.297 3.724 4.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
703 1 32 LEU MD1 1 46 LEU QB . . 6.800 2.450 2.067 3.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
704 1 32 LEU MD1 1 46 LEU MD2 . . 5.700 2.558 1.990 3.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
705 1 32 LEU MD1 1 46 LEU HG . . 6.500 4.074 3.843 4.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
706 1 32 LEU MD1 1 74 PHE CG . . 8.500 4.912 4.518 5.238 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
707 1 32 LEU MD2 1 35 PHE CG . . 6.700 4.425 3.613 5.019 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
708 1 32 LEU MD2 1 35 PHE HB3 . . 5.100 3.668 2.927 4.101 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
709 1 32 LEU MD2 1 46 LEU QB . . 7.500 4.799 4.382 5.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
710 1 32 LEU MD2 1 74 PHE CG . . 6.600 2.906 2.632 3.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
711 1 32 LEU MD2 1 74 PHE CZ . . 8.500 4.093 3.469 4.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
712 1 32 LEU MD2 1 74 PHE H . . 6.500 5.006 4.646 5.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
713 1 32 LEU MD2 1 74 PHE HA . . 4.900 4.069 3.890 4.157 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
714 1 32 LEU MD2 1 74 PHE HB2 . . 4.000 3.141 2.664 3.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
715 1 32 LEU MD2 1 74 PHE HZ . . 6.500 4.817 4.134 5.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
716 1 32 LEU HG 1 33 THR H . . 5.500 4.711 4.486 5.352 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
717 1 32 LEU HG 1 35 PHE CG . . 7.500 6.349 5.945 6.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
718 1 32 LEU HG 1 46 LEU QB . . 6.500 3.894 3.366 4.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
719 1 32 LEU HG 1 74 PHE CG . . 7.500 5.852 5.395 6.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
720 1 32 LEU HG 1 74 PHE CZ . . 7.300 6.986 6.425 7.535 0.235 29 0 "[ . 1 . 2 . 3 . 4]" 1
721 1 33 THR H 1 33 THR HB . . 3.600 2.192 2.028 2.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
722 1 33 THR H 1 33 THR MG . . 4.200 3.387 2.679 3.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
723 1 33 THR H 1 34 LYS H . . 3.300 2.845 2.456 3.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
724 1 33 THR HA 1 33 THR MG . . 3.400 2.826 2.346 3.114 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
725 1 33 THR HA 1 36 LEU H . . 4.800 3.542 3.371 3.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
726 1 33 THR HA 1 36 LEU HB2 . . 3.600 3.671 3.414 3.748 0.148 3 0 "[ . 1 . 2 . 3 . 4]" 1
727 1 33 THR HA 1 36 LEU MD1 . . 4.800 2.829 2.224 4.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
728 1 33 THR HA 1 36 LEU MD2 . . 4.700 3.717 1.982 3.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
729 1 33 THR HA 1 36 LEU HG . . 5.400 2.475 2.113 5.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
730 1 33 THR HB 1 34 LYS H . . 4.700 2.961 2.091 3.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
731 1 33 THR HB 1 34 LYS QG . . 6.500 5.706 5.278 5.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
732 1 33 THR MG 1 34 LYS H . . 4.100 2.561 2.005 3.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
733 1 33 THR MG 1 34 LYS HA . . 5.700 3.190 2.924 3.615 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
734 1 34 LYS H 1 34 LYS HB2 . . 3.400 2.517 2.149 3.490 0.090 33 0 "[ . 1 . 2 . 3 . 4]" 1
735 1 34 LYS H 1 34 LYS HB3 . . 3.300 2.743 2.109 3.179 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
736 1 34 LYS H 1 35 PHE H . . 3.100 2.529 2.026 2.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
737 1 34 LYS H 1 36 LEU H . . 4.100 4.093 3.659 4.189 0.089 18 0 "[ . 1 . 2 . 3 . 4]" 1
738 1 34 LYS HA 1 35 PHE H . . 3.600 3.304 3.225 3.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
739 1 34 LYS HA 1 36 LEU H . . 4.800 3.913 3.757 4.113 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
740 1 34 LYS HB2 1 35 PHE H . . 5.400 4.241 3.953 4.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
741 1 34 LYS HB3 1 74 PHE CG . . 7.500 7.282 6.848 7.505 0.005 15 0 "[ . 1 . 2 . 3 . 4]" 1
742 1 34 LYS HB3 1 74 PHE CZ . . 7.500 6.849 5.714 7.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
743 1 34 LYS QD 1 74 PHE CZ . . 8.500 6.791 4.498 7.555 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
744 1 35 PHE CG 1 36 LEU H . . 7.500 4.539 4.372 4.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
745 1 35 PHE CG 1 38 GLU HB2 . . 7.500 4.260 2.927 5.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
746 1 35 PHE CG 1 38 GLU HB3 . . 6.900 3.851 3.078 4.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
747 1 35 PHE CG 1 38 GLU QG . . 7.500 5.391 4.090 6.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
748 1 35 PHE CG 1 39 HIS H . . 7.500 4.529 3.992 4.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
749 1 35 PHE CG 1 46 LEU QB . . 8.500 6.478 6.074 7.159 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
750 1 35 PHE CG 1 46 LEU MD2 . . 8.500 5.905 5.292 6.559 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
751 1 35 PHE CG 1 74 PHE CZ . . 9.500 3.229 3.008 3.707 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
752 1 35 PHE CG 1 74 PHE HZ . . 6.700 2.945 2.572 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
753 1 35 PHE CZ 1 36 LEU H . . 7.400 6.971 6.636 7.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
754 1 35 PHE CZ 1 39 HIS H . . 7.500 4.708 3.916 5.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
755 1 35 PHE CZ 1 39 HIS HA . . 7.500 2.627 2.445 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
756 1 35 PHE CZ 1 40 PRO HG2 . . 7.500 5.569 4.851 7.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
757 1 35 PHE CZ 1 70 LEU MD2 . . 8.500 4.269 3.861 4.821 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
758 1 35 PHE H 1 35 PHE HB2 . . 3.300 2.713 2.593 2.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
759 1 35 PHE H 1 35 PHE HB3 . . 3.700 2.411 2.277 2.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
760 1 35 PHE H 1 36 LEU H . . 3.200 2.042 1.983 2.200 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
761 1 35 PHE H 1 36 LEU HB3 . . 5.500 5.545 5.438 5.594 0.094 15 0 "[ . 1 . 2 . 3 . 4]" 1
762 1 35 PHE HA 1 36 LEU H . . 3.900 3.430 3.364 3.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
763 1 35 PHE HA 1 37 GLU H . . 5.500 4.532 3.641 5.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
764 1 35 PHE HA 1 38 GLU H . . 3.900 3.299 2.979 3.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
765 1 35 PHE HA 1 38 GLU HB2 . . 5.000 2.216 1.995 3.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
766 1 35 PHE HA 1 38 GLU HB3 . . 3.300 2.653 1.994 3.698 0.398 30 0 "[ . 1 . 2 . 3 . 4]" 1
767 1 35 PHE HA 1 38 GLU QG . . 5.000 3.637 2.228 4.179 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
768 1 35 PHE HA 1 39 HIS H . . 5.500 4.406 4.113 4.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
769 1 35 PHE HA 1 74 PHE CZ . . 7.500 4.994 4.298 5.504 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
770 1 35 PHE HA 1 74 PHE HZ . . 5.500 4.611 3.755 5.106 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
771 1 35 PHE HB2 1 36 LEU H . . 4.000 4.121 4.063 4.197 0.197 14 0 "[ . 1 . 2 . 3 . 4]" 1
772 1 35 PHE HB2 1 74 PHE CZ . . 7.500 3.187 2.586 3.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
773 1 35 PHE HB2 1 74 PHE HZ . . 5.000 3.317 2.394 3.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
774 1 35 PHE HB3 1 36 LEU H . . 3.800 3.161 3.014 3.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
775 1 35 PHE HB3 1 74 PHE CZ . . 7.500 4.174 3.798 4.770 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
776 1 35 PHE HB3 1 74 PHE HZ . . 5.500 4.351 3.787 5.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
777 1 35 PHE HZ 1 70 LEU MD2 . . 5.300 4.278 3.958 4.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
778 1 36 LEU H 1 36 LEU HB2 . . 2.900 2.297 2.123 2.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
779 1 36 LEU H 1 36 LEU HB3 . . 3.600 3.539 3.452 3.603 0.003 26 0 "[ . 1 . 2 . 3 . 4]" 1
780 1 36 LEU H 1 36 LEU MD1 . . 4.600 3.773 2.435 3.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
781 1 36 LEU H 1 36 LEU MD2 . . 4.700 3.397 2.333 3.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
782 1 36 LEU H 1 36 LEU HG . . 4.300 2.745 2.355 4.349 0.049 39 0 "[ . 1 . 2 . 3 . 4]" 1
783 1 36 LEU H 1 37 GLU H . . 3.500 3.169 2.811 3.536 0.036 8 0 "[ . 1 . 2 . 3 . 4]" 1
784 1 36 LEU H 1 38 GLU H . . 4.200 3.953 3.632 4.205 0.005 27 0 "[ . 1 . 2 . 3 . 4]" 1
785 1 36 LEU HA 1 36 LEU MD1 . . 4.700 3.725 1.855 4.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
786 1 36 LEU HA 1 36 LEU MD2 . . 4.100 2.150 1.937 3.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
787 1 36 LEU HA 1 36 LEU HG . . 4.000 3.163 2.851 3.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
788 1 36 LEU HA 1 37 GLU H . . 4.100 3.570 3.503 3.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
789 1 36 LEU HA 1 39 HIS H . . 4.800 3.948 3.658 4.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
790 1 36 LEU HA 1 39 HIS HB3 . . 5.500 4.012 3.301 5.260 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
791 1 36 LEU HA 1 43 GLU HA . . 4.100 3.010 2.559 3.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
792 1 36 LEU HA 1 43 GLU QB . . 5.500 3.168 2.496 4.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
793 1 36 LEU HA 1 46 LEU QB . . 6.500 3.832 3.394 4.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
794 1 36 LEU HB2 1 37 GLU H . . 4.200 2.466 2.228 3.130 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
795 1 36 LEU HB3 1 37 GLU H . . 3.300 2.867 2.273 3.340 0.040 14 0 "[ . 1 . 2 . 3 . 4]" 1
796 1 36 LEU HB3 1 43 GLU HA . . 5.500 4.093 3.509 4.653 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
797 1 36 LEU HB3 1 43 GLU QB . . 5.500 2.638 2.004 3.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
798 1 36 LEU MD1 1 37 GLU H . . 6.300 4.252 3.845 4.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
799 1 36 LEU MD1 1 43 GLU HA . . 6.500 4.643 2.348 5.266 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
800 1 36 LEU MD1 1 43 GLU QB . . 4.700 3.592 2.033 4.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
801 1 36 LEU MD1 1 47 ARG QD . . 7.500 4.171 2.188 5.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
802 1 36 LEU MD2 1 43 GLU HA . . 5.200 2.749 2.141 4.353 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
803 1 36 LEU MD2 1 43 GLU QB . . 4.400 2.641 2.074 3.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
804 1 36 LEU MD2 1 46 LEU H . . 6.500 3.694 3.315 5.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
805 1 36 LEU MD2 1 46 LEU QB . . 5.100 1.968 1.803 3.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
806 1 36 LEU MD2 1 46 LEU MD2 . . 7.500 3.959 3.634 5.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
807 1 36 LEU MD2 1 47 ARG H . . 6.000 3.626 3.314 4.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
808 1 36 LEU MD2 1 47 ARG HA . . 6.500 4.237 3.752 4.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
809 1 36 LEU MD2 1 47 ARG QD . . 7.500 4.602 2.105 5.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
810 1 36 LEU HG 1 37 GLU H . . 5.400 4.627 4.402 5.251 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
811 1 36 LEU HG 1 43 GLU HA . . 5.500 5.248 2.763 5.538 0.038 37 0 "[ . 1 . 2 . 3 . 4]" 1
812 1 36 LEU HG 1 43 GLU QB . . 5.500 4.698 2.398 5.743 0.243 31 0 "[ . 1 . 2 . 3 . 4]" 1
813 1 37 GLU H 1 37 GLU HB2 . . 3.500 2.514 2.130 3.553 0.053 11 0 "[ . 1 . 2 . 3 . 4]" 1
814 1 37 GLU H 1 37 GLU HB3 . . 3.700 3.427 2.382 3.644 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
815 1 37 GLU H 1 38 GLU H . . 3.100 2.838 2.602 3.059 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
816 1 37 GLU H 1 39 HIS H . . 5.100 4.543 4.231 4.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
817 1 37 GLU HA 1 39 HIS H . . 5.200 3.872 3.413 4.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
818 1 37 GLU HA 1 43 GLU HA . . 5.500 5.184 4.182 5.605 0.105 39 0 "[ . 1 . 2 . 3 . 4]" 1
819 1 37 GLU HA 1 43 GLU QB . . 5.500 3.258 2.065 4.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
820 1 37 GLU HB2 1 38 GLU H . . 4.300 4.017 3.325 4.375 0.075 11 0 "[ . 1 . 2 . 3 . 4]" 1
821 1 38 GLU H 1 38 GLU HB2 . . 3.600 2.504 2.137 3.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
822 1 38 GLU H 1 38 GLU HB3 . . 3.500 3.315 2.475 3.671 0.171 27 0 "[ . 1 . 2 . 3 . 4]" 1
823 1 38 GLU H 1 38 GLU QG . . 3.700 3.696 2.988 3.984 0.284 10 0 "[ . 1 . 2 . 3 . 4]" 1
824 1 38 GLU H 1 39 HIS H . . 3.000 2.114 1.903 2.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
825 1 38 GLU H 1 39 HIS HB3 . . 4.900 4.280 3.797 4.946 0.046 30 0 "[ . 1 . 2 . 3 . 4]" 1
826 1 38 GLU HA 1 38 GLU QG . . 3.900 2.200 2.009 2.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
827 1 38 GLU HA 1 39 HIS H . . 3.400 3.377 3.161 3.537 0.137 39 0 "[ . 1 . 2 . 3 . 4]" 1
828 1 38 GLU HB2 1 39 HIS H . . 4.700 3.850 2.797 4.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
829 1 39 HIS H 1 39 HIS HB2 . . 3.400 2.623 2.037 2.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
830 1 39 HIS H 1 39 HIS HB3 . . 3.500 2.482 2.230 3.068 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
831 1 39 HIS H 1 39 HIS HD1 . . 5.000 4.761 4.024 5.090 0.090 39 0 "[ . 1 . 2 . 3 . 4]" 1
832 1 39 HIS H 1 42 GLY H . . 5.500 5.329 4.775 5.562 0.062 36 0 "[ . 1 . 2 . 3 . 4]" 1
833 1 39 HIS HA 1 40 PRO HG2 . . 5.500 4.540 4.375 4.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
834 1 39 HIS HB3 1 42 GLY H . . 5.500 3.288 1.887 4.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
835 1 39 HIS HD1 1 42 GLY H . . 5.000 2.296 1.910 4.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
836 1 39 HIS HD1 1 42 GLY QA . . 5.000 3.233 1.832 4.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
837 1 39 HIS HD1 1 45 VAL QG . . 6.500 3.043 2.503 4.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
838 1 39 HIS HD1 1 46 LEU QB . . 6.500 5.152 4.597 5.752 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
839 1 40 PRO HA 1 40 PRO HG2 . . 4.200 3.954 3.817 4.046 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
840 1 40 PRO HA 1 42 GLY H . . 5.000 4.948 4.424 5.070 0.070 17 0 "[ . 1 . 2 . 3 . 4]" 1
841 1 41 GLY HA2 1 42 GLY H . . 3.700 3.549 3.234 3.816 0.116 31 0 "[ . 1 . 2 . 3 . 4]" 1
842 1 42 GLY H 1 43 GLU H . . 5.500 4.213 3.692 4.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
843 1 42 GLY QA 1 43 GLU H . . 3.100 2.160 2.042 2.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
844 1 42 GLY QA 1 43 GLU HA . . 5.200 4.017 3.889 4.120 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
845 1 42 GLY QA 1 43 GLU QB . . 4.500 4.046 3.570 4.285 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
846 1 42 GLY QA 1 44 GLU H . . 4.100 3.515 3.200 3.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
847 1 42 GLY QA 1 45 VAL H . . 5.500 3.528 3.234 3.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
848 1 43 GLU H 1 43 GLU QB . . 3.400 2.727 2.200 3.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
849 1 43 GLU H 1 44 GLU H . . 3.400 2.154 1.854 2.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
850 1 43 GLU H 1 44 GLU HB3 . . 5.500 4.436 3.862 5.265 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
851 1 43 GLU H 1 45 VAL H . . 5.500 3.651 2.304 4.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
852 1 43 GLU H 1 46 LEU QB . . 6.500 5.777 4.685 5.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
853 1 43 GLU HA 1 44 GLU H . . 4.100 3.468 3.322 3.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
854 1 43 GLU HA 1 45 VAL H . . 5.500 4.441 3.880 4.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
855 1 43 GLU HA 1 45 VAL QG . . 6.500 3.635 3.275 4.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
856 1 43 GLU HA 1 46 LEU H . . 4.300 3.474 2.985 3.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
857 1 43 GLU HA 1 46 LEU QB . . 4.900 3.548 3.276 3.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
858 1 43 GLU HA 1 46 LEU MD2 . . 5.900 3.927 3.390 4.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
859 1 43 GLU HA 1 47 ARG H . . 5.400 5.067 4.816 5.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
860 1 43 GLU QB 1 44 GLU H . . 3.900 3.198 1.938 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
861 1 43 GLU QB 1 46 LEU H . . 5.500 4.709 4.373 5.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
862 1 44 GLU H 1 44 GLU HB2 . . 3.600 2.942 2.596 3.703 0.103 4 0 "[ . 1 . 2 . 3 . 4]" 1
863 1 44 GLU H 1 44 GLU HB3 . . 3.000 2.634 2.249 3.020 0.020 1 0 "[ . 1 . 2 . 3 . 4]" 1
864 1 44 GLU H 1 45 VAL H . . 3.500 2.686 2.499 2.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
865 1 44 GLU H 1 46 LEU H . . 5.500 3.972 3.732 4.241 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
866 1 44 GLU H 1 46 LEU QB . . 6.500 5.383 5.220 5.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
867 1 44 GLU H 1 46 LEU MD2 . . 6.500 5.441 5.118 5.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
868 1 44 GLU H 1 47 ARG H . . 5.500 4.924 4.691 5.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
869 1 44 GLU H 1 47 ARG HB2 . . 5.500 5.603 4.921 6.298 0.798 26 5 "[ . 1 * . 2 .+ *3* . - 4]" 1
870 1 44 GLU HA 1 45 VAL H . . 4.800 3.579 3.471 3.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
871 1 44 GLU HA 1 47 ARG H . . 4.200 3.037 2.735 3.302 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
872 1 44 GLU HA 1 47 ARG HB2 . . 4.000 2.965 2.271 3.659 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
873 1 44 GLU HA 1 47 ARG HB3 . . 5.500 3.393 2.459 4.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
874 1 44 GLU HA 1 48 GLU QG . . 5.500 5.161 4.674 5.654 0.154 40 0 "[ . 1 . 2 . 3 . 4]" 1
875 1 44 GLU HB2 1 45 VAL H . . 4.000 3.995 3.886 4.106 0.106 16 0 "[ . 1 . 2 . 3 . 4]" 1
876 1 44 GLU HB2 1 47 ARG H . . 5.300 5.194 4.711 5.386 0.086 34 0 "[ . 1 . 2 . 3 . 4]" 1
877 1 44 GLU HB3 1 45 VAL H . . 3.700 3.010 2.570 3.820 0.120 35 0 "[ . 1 . 2 . 3 . 4]" 1
878 1 44 GLU QG 1 45 VAL H . . 6.500 3.441 1.812 4.106 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
879 1 45 VAL H 1 45 VAL HB . . 3.500 3.462 2.074 3.626 0.126 19 0 "[ . 1 . 2 . 3 . 4]" 1
880 1 45 VAL H 1 45 VAL QG . . 3.900 1.988 1.849 2.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
881 1 45 VAL H 1 46 LEU H . . 3.500 2.795 2.635 2.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
882 1 45 VAL H 1 47 ARG H . . 5.400 4.160 3.850 4.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
883 1 45 VAL HA 1 45 VAL HB . . 2.800 2.550 2.406 2.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
884 1 45 VAL HA 1 45 VAL QG . . 3.300 2.188 2.059 2.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
885 1 45 VAL HA 1 46 LEU H . . 4.000 3.598 3.414 3.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
886 1 45 VAL HA 1 47 ARG H . . 4.100 4.018 3.732 4.148 0.048 40 0 "[ . 1 . 2 . 3 . 4]" 1
887 1 45 VAL HA 1 48 GLU H . . 4.300 3.044 2.744 3.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
888 1 45 VAL HA 1 48 GLU HB2 . . 3.500 2.289 2.010 3.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
889 1 45 VAL HA 1 48 GLU HB3 . . 4.100 3.757 3.233 4.153 0.053 30 0 "[ . 1 . 2 . 3 . 4]" 1
890 1 45 VAL HB 1 46 LEU H . . 5.100 3.824 3.461 4.188 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
891 1 45 VAL QG 1 46 LEU H . . 5.600 2.244 1.973 2.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
892 1 46 LEU H 1 46 LEU MD2 . . 3.900 2.613 2.208 3.049 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
893 1 46 LEU H 1 47 ARG H . . 3.000 2.498 2.031 2.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
894 1 46 LEU H 1 48 GLU H . . 4.300 3.991 3.598 4.465 0.165 16 0 "[ . 1 . 2 . 3 . 4]" 1
895 1 46 LEU HA 1 46 LEU MD2 . . 3.600 2.162 2.034 2.285 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
896 1 46 LEU HA 1 47 ARG H . . 3.900 3.509 3.405 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
897 1 46 LEU HA 1 47 ARG HA . . 4.800 4.701 4.602 4.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
898 1 46 LEU HA 1 48 GLU H . . 5.500 4.195 3.546 4.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
899 1 46 LEU HA 1 49 GLN H . . 4.200 3.839 3.480 4.188 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
900 1 46 LEU HA 1 50 ALA H . . 5.500 4.927 4.315 5.525 0.025 26 0 "[ . 1 . 2 . 3 . 4]" 1
901 1 46 LEU QB 1 47 ARG H . . 4.700 2.948 2.805 3.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
902 1 46 LEU QB 1 47 ARG HA . . 6.500 4.095 3.917 4.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
903 1 46 LEU MD2 1 47 ARG H . . 5.800 4.358 4.159 4.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
904 1 47 ARG H 1 47 ARG HA . . 2.900 2.916 2.888 2.944 0.044 36 0 "[ . 1 . 2 . 3 . 4]" 1
905 1 47 ARG H 1 47 ARG HB2 . . 3.500 2.384 2.110 2.735 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
906 1 47 ARG H 1 47 ARG HB3 . . 3.700 2.931 2.385 3.661 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
907 1 47 ARG H 1 48 GLU H . . 3.200 2.454 2.203 2.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
908 1 47 ARG HA 1 47 ARG HB2 . . 3.100 2.713 2.444 3.049 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
909 1 47 ARG HA 1 48 GLU H . . 4.000 3.545 3.405 3.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
910 1 47 ARG HA 1 49 GLN H . . 5.000 3.861 3.532 4.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
911 1 47 ARG HA 1 50 ALA H . . 3.800 2.996 2.680 3.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
912 1 47 ARG HA 1 50 ALA MB . . 3.800 1.983 1.896 2.136 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
913 1 47 ARG HB3 1 48 GLU H . . 4.300 3.259 2.874 4.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
914 1 48 GLU H 1 48 GLU HB2 . . 2.800 2.098 2.000 2.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
915 1 48 GLU H 1 48 GLU HB3 . . 3.400 3.366 3.120 3.470 0.070 20 0 "[ . 1 . 2 . 3 . 4]" 1
916 1 48 GLU H 1 48 GLU QG . . 4.100 3.194 2.824 3.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
917 1 48 GLU H 1 49 GLN H . . 3.500 2.573 2.407 2.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
918 1 48 GLU H 1 49 GLN HA . . 5.500 5.284 5.132 5.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
919 1 48 GLU H 1 49 GLN HB2 . . 4.800 4.746 4.525 4.842 0.042 36 0 "[ . 1 . 2 . 3 . 4]" 1
920 1 48 GLU H 1 50 ALA H . . 4.500 3.809 3.535 4.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
921 1 48 GLU HA 1 48 GLU HB3 . . 3.100 2.796 2.659 2.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
922 1 48 GLU HA 1 49 GLN H . . 4.200 3.476 3.416 3.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
923 1 48 GLU HA 1 50 ALA H . . 4.900 3.984 3.825 4.176 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
924 1 48 GLU HB2 1 49 GLN H . . 3.700 3.335 2.926 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
925 1 48 GLU HB3 1 49 GLN H . . 4.000 3.514 3.207 3.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
926 1 48 GLU HB3 1 49 GLN HE21 . . 5.500 3.821 2.553 4.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
927 1 48 GLU HB3 1 49 GLN HE22 . . 5.500 4.543 2.079 5.586 0.086 34 0 "[ . 1 . 2 . 3 . 4]" 1
928 1 48 GLU QG 1 49 GLN H . . 5.500 4.592 4.431 4.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
929 1 49 GLN H 1 49 GLN HB2 . . 3.100 2.450 2.264 2.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
930 1 49 GLN H 1 49 GLN HB3 . . 3.900 3.665 3.524 3.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
931 1 49 GLN H 1 49 GLN HG2 . . 4.100 2.898 2.510 3.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
932 1 49 GLN H 1 49 GLN HG3 . . 3.700 3.915 3.797 4.052 0.352 38 0 "[ . 1 . 2 . 3 . 4]" 1
933 1 49 GLN H 1 50 ALA H . . 2.800 2.171 1.994 2.335 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
934 1 49 GLN H 1 50 ALA MB . . 4.600 3.840 3.631 3.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
935 1 49 GLN HA 1 49 GLN HE21 . . 5.500 4.461 3.426 4.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
936 1 49 GLN HA 1 49 GLN HE22 . . 5.500 4.472 4.044 4.756 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
937 1 49 GLN HA 1 49 GLN HG2 . . 3.900 3.147 2.877 3.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
938 1 49 GLN HA 1 49 GLN HG3 . . 4.000 3.640 2.473 3.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
939 1 49 GLN HA 1 50 ALA H . . 3.600 3.224 3.117 3.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
940 1 49 GLN HA 1 54 ALA MB . . 5.900 4.201 4.014 4.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
941 1 49 GLN HB2 1 49 GLN HG3 . . 2.900 2.459 2.299 3.041 0.141 13 0 "[ . 1 . 2 . 3 . 4]" 1
942 1 49 GLN HB2 1 50 ALA H . . 3.600 3.616 3.443 3.687 0.087 20 0 "[ . 1 . 2 . 3 . 4]" 1
943 1 49 GLN HB2 1 54 ALA MB . . 4.700 2.275 2.042 2.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
944 1 49 GLN HB3 1 49 GLN HE22 . . 4.700 4.685 4.457 5.341 0.641 13 5 "[ *. * 1 + . 2- . 3 . * 4]" 1
945 1 49 GLN HB3 1 50 ALA H . . 4.600 4.335 4.168 4.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
946 1 49 GLN HB3 1 54 ALA MB . . 4.200 2.133 2.014 2.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
947 1 49 GLN HE21 1 54 ALA MB . . 6.500 4.810 4.113 5.559 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
948 1 49 GLN HE21 1 57 ASN HD21 . . 5.500 3.866 2.028 5.927 0.427 4 0 "[ . 1 . 2 . 3 . 4]" 1
949 1 49 GLN HE22 1 49 GLN HG2 . . 3.700 3.697 3.552 3.961 0.261 21 0 "[ . 1 . 2 . 3 . 4]" 1
950 1 49 GLN HE22 1 57 ASN QB . . 5.500 4.901 3.653 5.903 0.403 21 0 "[ . 1 . 2 . 3 . 4]" 1
951 1 49 GLN HE22 1 57 ASN HD22 . . 5.500 4.417 3.048 6.157 0.657 27 1 "[ . 1 . 2 . + 3 . 4]" 1
952 1 49 GLN HG2 1 50 ALA H . . 5.500 4.726 4.507 5.596 0.096 13 0 "[ . 1 . 2 . 3 . 4]" 1
953 1 49 GLN HG2 1 54 ALA MB . . 5.400 3.586 2.264 4.105 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
954 1 49 GLN HG3 1 50 ALA H . . 5.500 5.536 5.235 5.597 0.097 29 0 "[ . 1 . 2 . 3 . 4]" 1
955 1 49 GLN HG3 1 54 ALA MB . . 4.700 2.643 2.063 3.631 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
956 1 50 ALA H 1 50 ALA MB . . 3.000 2.212 2.015 2.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
957 1 50 ALA H 1 51 GLY H . . 4.800 4.636 4.588 4.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
958 1 50 ALA HA 1 51 GLY H . . 3.300 2.244 2.161 2.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
959 1 50 ALA HA 1 51 GLY HA2 . . 5.200 4.403 4.323 4.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
960 1 50 ALA HA 1 52 GLY H . . 4.300 3.345 3.026 3.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
961 1 50 ALA MB 1 51 GLY H . . 3.500 2.782 2.512 2.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
962 1 50 ALA MB 1 51 GLY HA3 . . 5.200 3.934 3.852 4.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
963 1 50 ALA MB 1 52 GLY H . . 5.200 4.333 4.249 4.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
964 1 51 GLY H 1 52 GLY H . . 3.500 2.854 2.687 3.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
965 1 51 GLY HA2 1 52 GLY H . . 4.300 3.120 2.938 3.262 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
966 1 51 GLY HA3 1 52 GLY H . . 4.000 3.573 3.512 3.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
967 1 52 GLY H 1 53 ASP H . . 4.300 4.325 4.251 4.366 0.066 17 0 "[ . 1 . 2 . 3 . 4]" 1
968 1 52 GLY H 1 54 ALA MB . . 5.800 4.624 4.410 4.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
969 1 52 GLY HA2 1 53 ASP H . . 3.200 2.631 2.447 2.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
970 1 52 GLY HA3 1 53 ASP H . . 3.100 2.609 2.475 2.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
971 1 53 ASP H 1 53 ASP HB2 . . 3.100 2.773 2.155 3.452 0.352 7 0 "[ . 1 . 2 . 3 . 4]" 1
972 1 53 ASP H 1 53 ASP HB3 . . 3.300 3.055 2.548 3.329 0.029 35 0 "[ . 1 . 2 . 3 . 4]" 1
973 1 53 ASP H 1 54 ALA MB . . 6.500 5.145 4.890 5.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
974 1 53 ASP HA 1 54 ALA H . . 4.100 2.201 2.105 2.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
975 1 53 ASP HA 1 55 THR H . . 4.300 3.176 2.939 3.342 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
976 1 53 ASP QB 1 54 ALA H . . 6.500 3.803 3.488 4.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
977 1 53 ASP QB 1 54 ALA MB . . 6.700 4.964 4.757 5.112 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
978 1 53 ASP HB2 1 55 THR H . . 5.500 4.283 3.289 5.067 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
979 1 54 ALA H 1 54 ALA MB . . 3.500 2.311 2.121 2.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
980 1 54 ALA H 1 55 THR H . . 3.300 2.382 2.153 2.707 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
981 1 54 ALA H 1 55 THR HA . . 5.200 4.678 4.471 5.053 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
982 1 54 ALA H 1 55 THR MG . . 6.500 5.339 4.164 5.514 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
983 1 54 ALA HA 1 55 THR H . . 3.400 3.385 3.284 3.449 0.049 18 0 "[ . 1 . 2 . 3 . 4]" 1
984 1 54 ALA HA 1 57 ASN H . . 3.900 3.394 2.999 3.949 0.049 10 0 "[ . 1 . 2 . 3 . 4]" 1
985 1 54 ALA MB 1 55 THR H . . 4.000 3.350 3.240 3.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
986 1 54 ALA MB 1 55 THR HA . . 5.200 4.013 3.840 4.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
987 1 54 ALA MB 1 57 ASN H . . 5.000 4.068 3.830 4.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
988 1 54 ALA MB 1 57 ASN QB . . 5.100 3.096 2.668 3.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
989 1 54 ALA MB 1 58 PHE H . . 4.600 3.668 3.275 3.877 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
990 1 55 THR H 1 55 THR HB . . 3.300 2.497 2.051 2.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
991 1 55 THR H 1 55 THR MG . . 4.200 3.500 2.309 3.666 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
992 1 55 THR H 1 56 GLU H . . 3.800 2.908 2.606 3.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
993 1 55 THR H 1 56 GLU QG . . 5.500 4.667 3.760 5.591 0.091 13 0 "[ . 1 . 2 . 3 . 4]" 1
994 1 55 THR HA 1 55 THR MG . . 3.600 2.430 2.112 3.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
995 1 55 THR HA 1 56 GLU H . . 4.200 3.586 3.534 3.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
996 1 55 THR HA 1 57 ASN H . . 4.800 4.170 3.379 4.514 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
997 1 55 THR HA 1 59 GLU H . . 4.000 3.843 3.585 4.073 0.073 35 0 "[ . 1 . 2 . 3 . 4]" 1
998 1 55 THR HA 1 59 GLU HG2 . . 5.500 4.958 4.449 5.558 0.058 37 0 "[ . 1 . 2 . 3 . 4]" 1
999 1 55 THR MG 1 56 GLU H . . 4.900 3.420 2.219 4.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1000 1 55 THR MG 1 56 GLU HA . . 5.500 3.741 2.964 4.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1001 1 55 THR MG 1 56 GLU HB3 . . 6.500 5.389 3.434 6.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1002 1 55 THR MG 1 58 PHE H . . 6.500 4.963 4.499 5.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1003 1 55 THR MG 1 58 PHE HB3 . . 6.500 3.719 3.130 5.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1004 1 55 THR MG 1 59 GLU H . . 6.200 3.988 3.652 4.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1005 1 55 THR MG 1 59 GLU HB2 . . 6.500 3.631 2.938 4.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1006 1 55 THR MG 1 59 GLU HG3 . . 4.800 3.251 2.464 3.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1007 1 56 GLU H 1 56 GLU HB2 . . 4.000 2.668 2.022 3.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1008 1 56 GLU H 1 56 GLU HB3 . . 4.200 3.277 2.452 3.630 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1009 1 56 GLU H 1 56 GLU QG . . 3.500 2.434 1.979 3.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1010 1 56 GLU H 1 57 ASN H . . 3.300 2.834 2.668 3.059 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1011 1 56 GLU HA 1 57 ASN H . . 3.900 3.560 2.979 3.667 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1012 1 56 GLU HA 1 59 GLU H . . 4.000 3.808 3.578 4.025 0.025 22 0 "[ . 1 . 2 . 3 . 4]" 1
1013 1 56 GLU HA 1 59 GLU HB2 . . 3.800 3.182 2.778 4.642 0.842 28 1 "[ . 1 . 2 . + 3 . 4]" 1
1014 1 56 GLU HA 1 59 GLU HB3 . . 4.600 4.343 3.922 4.707 0.107 10 0 "[ . 1 . 2 . 3 . 4]" 1
1015 1 56 GLU HA 1 60 ASP H . . 5.000 3.934 3.014 4.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1016 1 56 GLU QG 1 57 ASN H . . 4.900 3.731 1.878 4.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1017 1 57 ASN H 1 57 ASN QB . . 3.000 2.244 2.061 2.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1018 1 57 ASN H 1 58 PHE H . . 3.500 2.600 2.342 2.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1019 1 57 ASN H 1 58 PHE HB3 . . 5.300 4.741 4.035 5.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1020 1 57 ASN H 1 59 GLU H . . 4.900 4.021 2.895 4.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1021 1 57 ASN H 1 60 ASP H . . 5.500 4.550 3.199 4.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1022 1 57 ASN HA 1 57 ASN HD21 . . 4.300 3.247 2.261 4.342 0.042 32 0 "[ . 1 . 2 . 3 . 4]" 1
1023 1 57 ASN HA 1 57 ASN HD22 . . 4.500 3.871 3.338 4.519 0.019 21 0 "[ . 1 . 2 . 3 . 4]" 1
1024 1 57 ASN HA 1 58 PHE H . . 4.200 3.534 3.373 3.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1025 1 57 ASN HA 1 59 GLU H . . 4.600 4.320 4.036 4.622 0.022 37 0 "[ . 1 . 2 . 3 . 4]" 1
1026 1 57 ASN HA 1 60 ASP H . . 3.700 3.395 3.115 3.740 0.040 40 0 "[ . 1 . 2 . 3 . 4]" 1
1027 1 57 ASN HA 1 60 ASP HB2 . . 4.900 2.668 2.084 4.091 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1028 1 57 ASN QB 1 58 PHE H . . 3.700 2.250 1.884 2.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1029 1 58 PHE H 1 58 PHE HB2 . . 3.500 2.449 2.130 2.849 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1030 1 58 PHE H 1 58 PHE HB3 . . 3.000 2.785 2.338 3.309 0.309 18 0 "[ . 1 . 2 . 3 . 4]" 1
1031 1 58 PHE H 1 59 GLU H . . 3.400 3.101 2.801 3.509 0.109 16 0 "[ . 1 . 2 . 3 . 4]" 1
1032 1 58 PHE H 1 60 ASP H . . 5.100 4.453 4.108 4.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1033 1 58 PHE HA 1 61 VAL H . . 5.500 4.123 3.691 4.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1034 1 58 PHE HA 1 63 HIS HB2 . . 5.500 4.401 4.321 4.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1035 1 58 PHE HA 1 63 HIS HB3 . . 5.500 5.574 5.505 5.671 0.171 16 0 "[ . 1 . 2 . 3 . 4]" 1
1036 1 58 PHE HA 1 63 HIS HE1 . . 5.000 2.481 2.140 3.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1037 1 58 PHE HB2 1 59 GLU H . . 4.300 3.927 3.363 4.229 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1038 1 59 GLU H 1 59 GLU HB2 . . 3.400 2.151 2.072 3.474 0.074 28 0 "[ . 1 . 2 . 3 . 4]" 1
1039 1 59 GLU H 1 59 GLU HB3 . . 3.100 3.379 2.328 3.490 0.390 16 0 "[ . 1 . 2 . 3 . 4]" 1
1040 1 59 GLU H 1 59 GLU HG2 . . 3.700 3.246 2.831 3.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1041 1 59 GLU H 1 59 GLU HG3 . . 4.100 3.813 2.240 4.105 0.005 31 0 "[ . 1 . 2 . 3 . 4]" 1
1042 1 59 GLU H 1 60 ASP H . . 3.300 2.516 2.301 2.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1043 1 59 GLU H 1 60 ASP HB2 . . 4.900 4.439 4.108 4.916 0.016 36 0 "[ . 1 . 2 . 3 . 4]" 1
1044 1 59 GLU HA 1 59 GLU HB3 . . 2.900 2.744 2.531 2.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1045 1 59 GLU HA 1 59 GLU HG2 . . 4.300 2.459 2.116 4.250 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1046 1 59 GLU HA 1 59 GLU HG3 . . 4.400 3.603 3.427 3.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1047 1 59 GLU HA 1 60 ASP H . . 4.000 3.592 3.499 3.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1048 1 59 GLU HA 1 60 ASP HA . . 5.500 4.895 4.770 5.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1049 1 59 GLU HA 1 61 VAL H . . 5.500 4.412 3.857 4.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1050 1 59 GLU HA 1 62 GLY H . . 4.900 3.168 2.646 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1051 1 59 GLU HA 1 62 GLY HA2 . . 5.500 3.307 2.493 4.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1052 1 59 GLU HA 1 63 HIS H . . 5.500 4.383 3.598 5.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1053 1 59 GLU HB2 1 60 ASP H . . 3.800 2.920 2.658 3.902 0.102 28 0 "[ . 1 . 2 . 3 . 4]" 1
1054 1 59 GLU HB3 1 60 ASP H . . 3.800 3.231 2.826 3.813 0.013 28 0 "[ . 1 . 2 . 3 . 4]" 1
1055 1 59 GLU HG2 1 60 ASP H . . 5.500 4.838 3.715 5.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1056 1 60 ASP H 1 60 ASP HB2 . . 3.300 2.219 2.076 2.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1057 1 60 ASP H 1 60 ASP HB3 . . 3.500 3.128 2.400 3.542 0.042 16 0 "[ . 1 . 2 . 3 . 4]" 1
1058 1 60 ASP H 1 61 VAL H . . 3.300 2.741 2.538 2.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1059 1 60 ASP HA 1 61 VAL H . . 4.000 3.544 3.474 3.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1060 1 60 ASP HB2 1 61 VAL H . . 4.000 3.179 2.454 3.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1061 1 60 ASP HB3 1 61 VAL H . . 4.100 2.689 2.247 3.176 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1062 1 61 VAL H 1 62 GLY H . . 3.400 2.614 2.300 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1063 1 61 VAL H 1 62 GLY HA2 . . 5.500 4.800 4.470 5.071 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1064 1 61 VAL H 1 63 HIS H . . 5.500 4.683 4.303 5.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1065 1 61 VAL HA 1 62 GLY H . . 4.000 3.583 3.482 3.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1066 1 61 VAL HB 1 62 GLY H . . 5.500 3.354 2.275 4.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1067 1 61 VAL MG2 1 63 HIS HE1 . . 5.000 3.392 2.265 4.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1068 1 62 GLY H 1 62 GLY HA2 . . 3.000 2.364 2.304 2.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1069 1 62 GLY H 1 63 HIS H . . 5.500 2.521 2.074 3.179 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1070 1 62 GLY HA2 1 63 HIS H . . 5.500 2.970 2.436 3.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1071 1 62 GLY HA3 1 63 HIS H . . 5.500 3.307 2.563 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1072 1 63 HIS H 1 64 SER H . . 5.500 4.460 3.350 4.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1073 1 63 HIS HA 1 64 SER H . . 4.100 2.498 2.202 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1074 1 63 HIS HB2 1 64 SER H . . 5.500 3.853 2.344 4.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1075 1 63 HIS HB2 1 67 ALA MB . . 6.500 3.654 2.821 4.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1076 1 63 HIS HB3 1 64 SER H . . 4.400 2.690 2.163 3.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1077 1 63 HIS HB3 1 67 ALA MB . . 5.100 2.287 2.051 2.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1078 1 63 HIS HD2 1 67 ALA MB . . 5.000 2.096 1.676 2.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1079 1 64 SER H 1 65 THR H . . 5.000 4.591 4.241 4.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1080 1 64 SER H 1 67 ALA H . . 5.500 4.066 3.386 4.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1081 1 64 SER H 1 67 ALA MB . . 3.600 2.748 2.291 3.019 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1082 1 64 SER HA 1 65 THR H . . 3.100 2.505 2.391 2.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1083 1 64 SER HA 1 65 THR HB . . 5.500 4.773 4.574 5.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1084 1 64 SER HA 1 66 ASP H . . 5.500 4.543 4.292 4.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1085 1 64 SER HA 1 67 ALA H . . 5.500 4.700 4.326 4.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1086 1 64 SER HB2 1 65 THR H . . 3.800 3.215 2.257 3.853 0.053 6 0 "[ . 1 . 2 . 3 . 4]" 1
1087 1 64 SER HB2 1 65 THR HA . . 5.500 5.091 4.643 5.983 0.483 27 0 "[ . 1 . 2 . 3 . 4]" 1
1088 1 64 SER HB2 1 66 ASP H . . 4.300 3.363 2.571 4.614 0.314 27 0 "[ . 1 . 2 . 3 . 4]" 1
1089 1 64 SER HB2 1 67 ALA H . . 5.500 3.302 2.170 5.065 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1090 1 64 SER HB3 1 65 THR H . . 3.400 3.017 2.096 3.842 0.442 33 0 "[ . 1 . 2 . 3 . 4]" 1
1091 1 65 THR H 1 65 THR HB . . 2.800 2.289 2.160 2.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1092 1 65 THR H 1 65 THR MG . . 4.300 3.648 3.620 3.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1093 1 65 THR H 1 66 ASP H . . 3.900 2.707 2.476 2.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1094 1 65 THR HA 1 66 ASP H . . 3.700 3.614 3.522 3.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1095 1 65 THR HA 1 67 ALA H . . 4.900 3.943 3.550 4.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1096 1 65 THR HA 1 68 ARG H . . 5.500 2.964 2.663 3.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1097 1 65 THR HA 1 68 ARG HB3 . . 4.300 3.549 2.063 4.310 0.010 3 0 "[ . 1 . 2 . 3 . 4]" 1
1098 1 65 THR HA 1 69 GLU HG3 . . 5.500 5.322 4.741 5.502 0.002 3 0 "[ . 1 . 2 . 3 . 4]" 1
1099 1 65 THR HB 1 66 ASP H . . 3.300 2.727 2.338 3.079 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1100 1 65 THR MG 1 66 ASP H . . 6.200 3.472 3.103 3.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1101 1 65 THR MG 1 69 GLU HG2 . . 6.100 4.198 2.894 4.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1102 1 66 ASP H 1 66 ASP HB2 . . 3.200 2.255 2.013 3.579 0.379 9 0 "[ . 1 . 2 . 3 . 4]" 1
1103 1 66 ASP H 1 66 ASP HB3 . . 3.600 3.270 2.457 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1104 1 66 ASP H 1 67 ALA H . . 3.400 2.713 2.505 2.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1105 1 66 ASP H 1 68 ARG H . . 4.300 4.209 3.885 4.435 0.135 33 0 "[ . 1 . 2 . 3 . 4]" 1
1106 1 66 ASP HA 1 67 ALA H . . 3.900 3.517 3.474 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1107 1 66 ASP HA 1 68 ARG H . . 5.000 4.511 3.981 4.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1108 1 66 ASP HA 1 69 GLU H . . 4.600 3.393 3.073 3.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1109 1 66 ASP HA 1 69 GLU HB2 . . 3.900 2.642 2.361 3.095 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1110 1 66 ASP HA 1 69 GLU HB3 . . 4.300 4.198 3.878 4.323 0.023 34 0 "[ . 1 . 2 . 3 . 4]" 1
1111 1 66 ASP HA 1 70 LEU H . . 4.700 4.432 3.976 4.723 0.023 40 0 "[ . 1 . 2 . 3 . 4]" 1
1112 1 66 ASP HB2 1 67 ALA H . . 3.600 3.212 2.662 3.815 0.215 2 0 "[ . 1 . 2 . 3 . 4]" 1
1113 1 66 ASP HB3 1 67 ALA H . . 3.800 3.324 2.732 3.829 0.029 30 0 "[ . 1 . 2 . 3 . 4]" 1
1114 1 67 ALA H 1 68 ARG H . . 3.400 2.508 2.299 2.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1115 1 67 ALA H 1 68 ARG QD . . 6.500 5.443 3.965 5.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1116 1 67 ALA H 1 69 GLU H . . 3.800 3.794 3.681 3.879 0.079 9 0 "[ . 1 . 2 . 3 . 4]" 1
1117 1 67 ALA HA 1 68 ARG H . . 4.800 3.622 3.547 3.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1118 1 67 ALA HA 1 69 GLU H . . 5.500 3.857 3.528 4.136 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1119 1 67 ALA HA 1 70 LEU H . . 3.600 3.366 3.119 3.648 0.048 13 0 "[ . 1 . 2 . 3 . 4]" 1
1120 1 67 ALA HA 1 70 LEU QB . . 3.300 2.954 2.466 3.736 0.436 3 0 "[ . 1 . 2 . 3 . 4]" 1
1121 1 67 ALA HA 1 70 LEU MD2 . . 6.500 4.357 2.901 5.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1122 1 67 ALA HA 1 70 LEU HG . . 5.500 4.454 3.534 5.033 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1123 1 67 ALA HA 1 71 SER H . . 4.700 4.328 3.890 4.683 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1124 1 67 ALA MB 1 68 ARG H . . 4.300 2.629 2.268 3.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1125 1 68 ARG H 1 68 ARG HB2 . . 3.300 2.276 2.030 2.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1126 1 68 ARG H 1 68 ARG HB3 . . 4.000 3.289 2.434 3.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1127 1 68 ARG H 1 68 ARG QD . . 4.900 3.611 2.305 4.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1128 1 68 ARG H 1 69 GLU H . . 3.500 2.785 2.542 2.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1129 1 68 ARG HA 1 69 GLU H . . 4.000 3.596 3.443 3.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1130 1 68 ARG HA 1 71 SER H . . 4.400 3.837 3.285 4.483 0.083 6 0 "[ . 1 . 2 . 3 . 4]" 1
1131 1 68 ARG HA 1 71 SER QB . . 6.500 3.337 2.438 4.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1132 1 68 ARG HB2 1 69 GLU H . . 4.000 3.526 2.878 4.053 0.053 27 0 "[ . 1 . 2 . 3 . 4]" 1
1133 1 68 ARG HB3 1 69 GLU H . . 5.400 3.487 2.784 4.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1134 1 68 ARG HB3 1 69 GLU HA . . 4.600 4.262 3.916 4.605 0.005 6 0 "[ . 1 . 2 . 3 . 4]" 1
1135 1 68 ARG QD 1 69 GLU H . . 6.500 4.937 3.132 5.653 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1136 1 68 ARG QG 1 69 GLU H . . 6.500 4.501 4.127 4.752 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1137 1 69 GLU H 1 69 GLU HB2 . . 3.700 2.256 2.089 2.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1138 1 69 GLU H 1 69 GLU HB3 . . 3.400 3.503 3.245 3.647 0.247 15 0 "[ . 1 . 2 . 3 . 4]" 1
1139 1 69 GLU H 1 69 GLU HG2 . . 4.100 3.610 2.755 4.146 0.046 40 0 "[ . 1 . 2 . 3 . 4]" 1
1140 1 69 GLU H 1 69 GLU HG3 . . 4.200 3.316 2.796 3.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1141 1 69 GLU H 1 70 LEU H . . 3.200 2.706 2.422 2.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1142 1 69 GLU H 1 70 LEU QB . . 5.500 4.324 4.010 4.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1143 1 69 GLU H 1 71 SER H . . 5.400 3.823 3.431 4.099 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1144 1 69 GLU HA 1 69 GLU HB2 . . 3.100 3.023 2.926 3.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1145 1 69 GLU HA 1 69 GLU HG2 . . 4.400 2.190 2.041 2.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1146 1 69 GLU HA 1 69 GLU HG3 . . 3.700 3.259 2.736 3.712 0.012 30 0 "[ . 1 . 2 . 3 . 4]" 1
1147 1 69 GLU HA 1 70 LEU H . . 4.000 3.680 3.638 3.734 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1148 1 69 GLU HA 1 72 LYS H . . 4.100 3.299 2.931 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1149 1 69 GLU HA 1 72 LYS HB2 . . 3.100 3.092 2.724 3.209 0.109 13 0 "[ . 1 . 2 . 3 . 4]" 1
1150 1 69 GLU HA 1 72 LYS HB3 . . 5.300 4.037 3.274 4.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1151 1 69 GLU HB2 1 70 LEU H . . 3.800 2.802 2.569 3.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1152 1 69 GLU HB3 1 70 LEU H . . 4.000 3.169 2.787 3.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1153 1 69 GLU HG2 1 70 LEU H . . 4.900 4.912 4.707 5.000 0.100 9 0 "[ . 1 . 2 . 3 . 4]" 1
1154 1 70 LEU H 1 70 LEU QB . . 3.300 2.129 2.039 2.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1155 1 70 LEU H 1 70 LEU MD1 . . 4.200 3.004 1.949 3.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1156 1 70 LEU H 1 70 LEU MD2 . . 4.600 3.432 2.121 3.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1157 1 70 LEU H 1 70 LEU HG . . 5.100 3.175 2.451 4.385 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1158 1 70 LEU H 1 71 SER H . . 3.900 2.782 2.485 2.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1159 1 70 LEU H 1 71 SER QB . . 6.500 4.945 4.337 5.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1160 1 70 LEU H 1 72 LYS H . . 4.800 4.314 4.151 4.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1161 1 70 LEU HA 1 70 LEU MD2 . . 4.000 2.727 2.154 3.291 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1162 1 70 LEU HA 1 71 SER H . . 4.700 3.579 3.447 3.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1163 1 70 LEU HA 1 72 LYS H . . 5.300 3.892 3.472 4.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1164 1 70 LEU HA 1 73 THR H . . 5.500 3.270 2.822 3.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1165 1 70 LEU QB 1 71 SER H . . 3.300 2.846 2.534 3.413 0.113 6 0 "[ . 1 . 2 . 3 . 4]" 1
1166 1 70 LEU MD1 1 71 SER H . . 6.500 4.250 1.863 4.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1167 1 70 LEU MD1 1 74 PHE CG . . 8.500 5.609 3.631 6.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1168 1 70 LEU MD1 1 74 PHE CZ . . 7.800 4.091 2.625 4.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1169 1 70 LEU MD1 1 74 PHE HZ . . 5.100 3.714 2.477 4.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1170 1 70 LEU MD2 1 73 THR H . . 6.500 4.954 3.684 5.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1171 1 70 LEU MD2 1 73 THR HB . . 6.500 4.830 3.506 5.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1172 1 70 LEU MD2 1 74 PHE HZ . . 5.400 3.094 2.126 4.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1173 1 70 LEU HG 1 71 SER H . . 5.500 4.871 4.165 5.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1174 1 70 LEU HG 1 74 PHE CG . . 7.100 6.671 5.205 7.435 0.335 18 0 "[ . 1 . 2 . 3 . 4]" 1
1175 1 70 LEU HG 1 74 PHE CZ . . 6.600 4.912 3.253 5.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1176 1 70 LEU HG 1 74 PHE HZ . . 5.500 4.462 2.509 5.539 0.039 34 0 "[ . 1 . 2 . 3 . 4]" 1
1177 1 71 SER H 1 71 SER HA . . 2.900 2.796 2.708 2.934 0.034 11 0 "[ . 1 . 2 . 3 . 4]" 1
1178 1 71 SER H 1 72 LYS H . . 3.400 2.864 2.670 2.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1179 1 71 SER H 1 74 PHE CG . . 7.000 5.439 4.837 6.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1180 1 71 SER HA 1 72 LYS H . . 3.800 3.509 3.397 3.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1181 1 71 SER HA 1 74 PHE CG . . 5.600 3.458 2.965 4.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1182 1 71 SER HA 1 74 PHE CZ . . 7.400 4.929 3.861 6.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1183 1 71 SER QB 1 72 LYS H . . 6.100 3.088 2.593 3.644 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1184 1 72 LYS H 1 72 LYS HB2 . . 2.900 2.179 2.001 2.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1185 1 72 LYS H 1 72 LYS HB3 . . 2.900 2.800 2.587 2.981 0.081 34 0 "[ . 1 . 2 . 3 . 4]" 1
1186 1 72 LYS H 1 73 THR H . . 3.200 2.760 2.594 2.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1187 1 72 LYS H 1 74 PHE CG . . 6.700 5.967 5.399 6.718 0.018 34 0 "[ . 1 . 2 . 3 . 4]" 1
1188 1 72 LYS HA 1 73 THR H . . 4.400 3.545 3.245 3.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1189 1 72 LYS HA 1 74 PHE H . . 4.500 3.781 3.338 4.046 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1190 1 72 LYS HA 1 75 ILE H . . 4.000 3.568 3.191 3.986 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1191 1 72 LYS HA 1 75 ILE HB . . 4.700 3.168 2.581 4.923 0.223 34 0 "[ . 1 . 2 . 3 . 4]" 1
1192 1 72 LYS HA 1 75 ILE MD . . 5.700 3.406 1.938 4.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1193 1 72 LYS HA 1 75 ILE MG . . 5.000 3.882 2.617 4.115 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1194 1 72 LYS HB2 1 73 THR H . . 5.500 3.876 3.603 4.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1195 1 72 LYS HB3 1 73 THR H . . 4.000 3.012 2.483 3.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1196 1 73 THR H 1 73 THR HB . . 3.700 2.640 2.041 3.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1197 1 73 THR H 1 73 THR MG . . 3.800 2.543 2.014 3.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1198 1 73 THR H 1 74 PHE CG . . 7.500 4.669 4.364 5.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1199 1 73 THR H 1 74 PHE H . . 3.200 2.457 2.007 2.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1200 1 73 THR H 1 75 ILE H . . 5.300 4.185 3.910 4.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1201 1 73 THR HA 1 73 THR HB . . 3.100 2.586 2.287 2.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1202 1 73 THR HA 1 74 PHE H . . 3.700 3.290 3.002 3.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1203 1 73 THR HA 1 75 ILE H . . 5.500 4.218 3.821 4.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1204 1 73 THR HB 1 74 PHE CG . . 7.500 5.875 5.358 6.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1205 1 73 THR HB 1 74 PHE CZ . . 7.500 6.250 5.604 6.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1206 1 73 THR HB 1 74 PHE H . . 4.500 4.257 3.845 4.509 0.009 20 0 "[ . 1 . 2 . 3 . 4]" 1
1207 1 73 THR MG 1 74 PHE CG . . 8.500 3.725 3.003 5.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1208 1 73 THR MG 1 74 PHE CZ . . 8.500 3.788 2.835 6.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1209 1 73 THR MG 1 74 PHE H . . 4.900 3.353 2.836 4.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1210 1 74 PHE CZ 1 74 PHE HA . . 6.100 5.113 4.906 5.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1211 1 74 PHE H 1 74 PHE HB2 . . 3.300 2.405 2.226 2.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1212 1 74 PHE H 1 75 ILE H . . 3.100 2.192 1.952 2.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1213 1 74 PHE H 1 75 ILE HB . . 5.500 3.970 3.564 5.506 0.006 34 0 "[ . 1 . 2 . 3 . 4]" 1
1214 1 74 PHE H 1 75 ILE MD . . 6.500 5.110 2.647 5.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1215 1 74 PHE HA 1 74 PHE HB2 . . 2.700 3.029 3.004 3.062 0.362 39 0 "[ . 1 . 2 . 3 . 4]" 1
1216 1 74 PHE HB2 1 75 ILE H . . 4.800 3.083 2.435 4.025 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1217 1 75 ILE H 1 75 ILE HB . . 3.600 2.059 1.971 3.657 0.057 34 0 "[ . 1 . 2 . 3 . 4]" 1
1218 1 75 ILE H 1 75 ILE MD . . 5.300 3.703 1.834 4.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1219 1 75 ILE H 1 75 ILE QG . . 4.200 3.490 2.885 3.872 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1220 1 75 ILE H 1 75 ILE MG . . 4.400 3.151 2.746 3.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1221 1 75 ILE HA 1 75 ILE MD . . 4.400 3.574 2.094 3.659 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1222 1 75 ILE HA 1 76 ILE H . . 3.000 2.110 2.059 2.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1223 1 75 ILE HA 1 76 ILE HA . . 5.500 4.415 4.366 4.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1224 1 75 ILE HA 1 76 ILE MD . . 6.500 5.068 4.405 5.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1225 1 75 ILE HA 1 76 ILE HG12 . . 5.500 5.064 3.835 5.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1226 1 75 ILE HA 1 76 ILE HG13 . . 5.200 3.841 3.496 4.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1227 1 75 ILE HA 1 77 GLY H . . 3.400 3.366 3.177 3.484 0.084 34 0 "[ . 1 . 2 . 3 . 4]" 1
1228 1 75 ILE HB 1 76 ILE H . . 5.300 4.502 2.966 4.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1229 1 75 ILE HB 1 77 GLY H . . 5.500 4.861 2.681 5.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1230 1 75 ILE MD 1 76 ILE H . . 6.200 4.844 3.552 5.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1231 1 75 ILE MD 1 77 GLY H . . 6.500 4.502 3.881 5.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1232 1 75 ILE QG 1 76 ILE H . . 5.500 3.259 2.839 3.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1233 1 75 ILE QG 1 76 ILE HG13 . . 5.500 4.770 4.411 5.696 0.196 34 0 "[ . 1 . 2 . 3 . 4]" 1
1234 1 75 ILE QG 1 77 GLY H . . 5.500 2.896 2.460 3.644 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1235 1 75 ILE QG 1 77 GLY QA . . 4.100 4.343 4.075 4.553 0.453 12 0 "[ . 1 . 2 . 3 . 4]" 1
1236 1 75 ILE MG 1 76 ILE H . . 4.700 3.442 3.148 3.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1237 1 75 ILE MG 1 77 GLY H . . 4.800 2.734 2.375 4.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1238 1 76 ILE H 1 76 ILE HB . . 4.200 3.757 3.606 3.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1239 1 76 ILE H 1 76 ILE MD . . 4.500 3.367 2.700 3.752 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1240 1 76 ILE H 1 76 ILE HG12 . . 4.100 3.376 2.207 3.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1241 1 76 ILE H 1 76 ILE HG13 . . 3.800 2.037 1.965 2.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1242 1 76 ILE H 1 76 ILE MG . . 4.000 2.835 2.559 3.184 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1243 1 76 ILE H 1 77 GLY H . . 3.100 2.161 1.980 2.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1244 1 76 ILE H 1 77 GLY QA . . 4.900 4.153 3.991 4.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1245 1 76 ILE HA 1 76 ILE HB . . 2.900 2.452 2.390 2.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1246 1 76 ILE HA 1 76 ILE MG . . 3.500 2.281 2.166 2.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1247 1 76 ILE HA 1 77 GLY H . . 4.300 3.339 3.222 3.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1248 1 76 ILE HB 1 76 ILE MD . . 3.100 2.152 2.091 2.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1249 1 76 ILE MD 1 77 GLY H . . 6.500 3.467 2.905 4.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1250 1 76 ILE HG12 1 77 GLY H . . 5.400 4.810 3.749 5.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1251 1 76 ILE HG13 1 77 GLY H . . 5.300 3.305 2.338 3.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1252 1 76 ILE MG 1 77 GLY H . . 5.300 4.298 4.191 4.436 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1253 1 77 GLY H 1 78 GLU H . . 5.500 4.335 4.227 4.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1254 1 77 GLY QA 1 78 GLU H . . 3.300 2.305 2.179 2.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1255 1 77 GLY QA 1 78 GLU QG . . 6.500 4.062 2.993 5.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1256 1 78 GLU H 1 79 LEU H . . 5.100 4.351 4.146 4.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1257 1 78 GLU HA 1 79 LEU H . . 3.300 2.466 2.190 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1258 1 78 GLU QB 1 79 LEU H . . 5.500 2.836 2.053 3.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1259 1 79 LEU H 1 79 LEU MD1 . . 4.600 2.982 2.116 4.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1260 1 79 LEU H 1 79 LEU MD2 . . 4.600 3.025 1.772 3.874 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1261 1 79 LEU H 1 79 LEU HG . . 4.000 3.963 2.955 4.127 0.127 16 0 "[ . 1 . 2 . 3 . 4]" 1
1262 1 79 LEU H 1 80 HIS H . . 5.100 4.558 4.241 4.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1263 1 79 LEU HA 1 79 LEU MD1 . . 4.800 2.541 1.903 4.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1264 1 79 LEU HA 1 79 LEU MD2 . . 4.800 3.567 2.833 4.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1265 1 79 LEU HA 1 79 LEU HG . . 3.900 3.018 2.316 3.786 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1266 1 79 LEU HA 1 80 HIS H . . 3.500 2.242 2.093 2.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1267 1 79 LEU HA 1 80 HIS QB . . 4.500 4.248 4.004 4.674 0.174 2 0 "[ . 1 . 2 . 3 . 4]" 1
1268 1 79 LEU QB 1 80 HIS QB . . 6.500 4.223 3.792 4.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1269 1 79 LEU MD1 1 87 LEU QD . . 8.400 4.894 4.167 5.227 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1270 1 79 LEU HG 1 80 HIS QB . . 5.500 4.927 3.801 5.724 0.224 7 0 "[ . 1 . 2 . 3 . 4]" 1
1271 1 79 LEU HG 1 83 ASP HB2 . . 5.500 4.513 3.222 5.571 0.071 40 0 "[ . 1 . 2 . 3 . 4]" 1
1272 1 80 HIS H 1 80 HIS QB . . 3.400 2.179 2.010 2.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1273 1 80 HIS H 1 80 HIS HD2 . . 5.500 3.223 2.250 5.388 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1274 1 80 HIS H 1 83 ASP H . . 5.500 4.929 4.279 5.553 0.053 34 0 "[ . 1 . 2 . 3 . 4]" 1
1275 1 80 HIS HA 1 80 HIS HD2 . . 4.800 2.713 2.173 4.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1276 1 80 HIS QB 1 81 PRO HA . . 4.100 4.486 4.429 4.544 0.444 25 0 "[ . 1 . 2 . 3 . 4]" 1
1277 1 80 HIS QB 1 82 ASP H . . 5.000 3.027 2.025 4.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1278 1 81 PRO HA 1 81 PRO HG2 . . 3.700 3.965 3.830 4.046 0.346 39 0 "[ . 1 . 2 . 3 . 4]" 1
1279 1 81 PRO HA 1 82 ASP H . . 5.500 3.145 2.180 3.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1280 1 81 PRO HA 1 83 ASP H . . 4.300 4.009 3.476 4.383 0.083 12 0 "[ . 1 . 2 . 3 . 4]" 1
1281 1 81 PRO HA 1 84 ARG H . . 4.400 3.818 3.068 4.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1282 1 81 PRO HA 1 84 ARG QB . . 4.000 2.970 2.008 4.393 0.393 8 0 "[ . 1 . 2 . 3 . 4]" 1
1283 1 81 PRO HB2 1 81 PRO HG3 . . 2.900 2.767 2.702 2.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1284 1 81 PRO HB2 1 82 ASP H . . 4.700 3.762 2.966 4.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1285 1 81 PRO HB3 1 82 ASP H . . 4.500 4.348 3.994 4.562 0.062 19 0 "[ . 1 . 2 . 3 . 4]" 1
1286 1 82 ASP H 1 82 ASP HB2 . . 3.600 2.668 2.051 3.932 0.332 13 0 "[ . 1 . 2 . 3 . 4]" 1
1287 1 82 ASP H 1 82 ASP HB3 . . 4.100 3.267 2.501 4.015 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1288 1 82 ASP H 1 83 ASP H . . 3.600 2.466 1.987 2.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1289 1 82 ASP H 1 84 ARG H . . 5.500 3.771 2.432 4.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1290 1 82 ASP HA 1 85 SER H . . 4.800 4.341 3.080 4.867 0.067 1 0 "[ . 1 . 2 . 3 . 4]" 1
1291 1 82 ASP HB2 1 83 ASP H . . 3.700 3.360 2.226 4.037 0.337 29 0 "[ . 1 . 2 . 3 . 4]" 1
1292 1 82 ASP HB3 1 83 ASP H . . 4.500 3.227 2.095 4.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1293 1 83 ASP H 1 83 ASP HB2 . . 3.300 2.548 2.172 2.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1294 1 83 ASP H 1 83 ASP HB3 . . 3.700 3.111 2.079 3.665 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1295 1 83 ASP H 1 84 ARG H . . 3.200 2.707 2.123 3.067 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1296 1 83 ASP H 1 84 ARG QB . . 3.800 4.098 3.579 4.281 0.481 26 0 "[ . 1 . 2 . 3 . 4]" 1
1297 1 83 ASP HA 1 84 ARG H . . 4.400 3.184 2.469 3.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1298 1 83 ASP HA 1 85 SER H . . 4.200 4.013 3.449 4.288 0.088 40 0 "[ . 1 . 2 . 3 . 4]" 1
1299 1 83 ASP HB3 1 84 ARG H . . 5.100 3.971 2.522 4.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1300 1 84 ARG H 1 84 ARG QB . . 3.000 2.362 2.088 2.874 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1301 1 84 ARG H 1 85 SER H . . 4.800 2.383 1.928 3.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1302 1 84 ARG H 1 86 LYS H . . 4.000 3.788 2.351 4.077 0.077 26 0 "[ . 1 . 2 . 3 . 4]" 1
1303 1 84 ARG H 1 86 LYS QB . . 4.900 4.442 3.654 5.261 0.361 20 0 "[ . 1 . 2 . 3 . 4]" 1
1304 1 84 ARG H 1 87 LEU QD . . 7.900 4.154 2.286 5.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1305 1 84 ARG HA 1 85 SER HA . . 5.500 4.731 4.503 5.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1306 1 84 ARG QB 1 85 SER H . . 5.500 3.015 2.503 3.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1307 1 84 ARG QB 1 85 SER HA . . 5.500 4.703 4.019 5.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1308 1 85 SER H 1 86 LYS H . . 3.600 2.492 1.956 3.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1309 1 85 SER H 1 86 LYS QG . . 6.500 5.151 4.111 5.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1310 1 85 SER H 1 87 LEU H . . 5.300 4.572 3.594 5.384 0.084 8 0 "[ . 1 . 2 . 3 . 4]" 1
1311 1 85 SER HA 1 86 LYS H . . 3.400 2.919 2.551 3.499 0.099 40 0 "[ . 1 . 2 . 3 . 4]" 1
1312 1 86 LYS H 1 86 LYS QB . . 3.100 2.656 2.148 3.214 0.114 20 0 "[ . 1 . 2 . 3 . 4]" 1
1313 1 86 LYS H 1 87 LEU H . . 3.700 2.553 1.955 3.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1314 1 86 LYS QB 1 87 LEU HG . . 4.000 4.152 2.919 4.454 0.454 15 0 "[ . 1 . 2 . 3 . 4]" 1
1315 1 87 LEU H 1 87 LEU HG . . 5.200 2.811 2.054 4.045 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1316 1 87 LEU HA 1 88 SER H . . 4.000 2.666 2.141 3.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1317 1 87 LEU QD 1 88 SER HB2 . . 7.200 5.017 2.274 5.415 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1318 1 88 SER H 1 88 SER HB2 . . 3.800 3.165 2.108 3.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1319 1 88 SER H 1 88 SER HB3 . . 3.600 3.327 2.472 3.693 0.093 16 0 "[ . 1 . 2 . 3 . 4]" 1
1320 1 88 SER H 1 89 LYS H . . 5.500 3.805 2.165 4.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
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