NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
490455 |
2kxc   |
16909 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kxc
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 1472
_Distance_constraint_stats_list.Viol_count 2659
_Distance_constraint_stats_list.Viol_total 9753.491
_Distance_constraint_stats_list.Viol_max 1.993
_Distance_constraint_stats_list.Viol_rms 0.0964
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0166
_Distance_constraint_stats_list.Viol_average_violations_only 0.1834
_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 HIS 4.948 1.309 10 3 "[ . + * . -]"
1 4 MET 5.259 1.309 10 3 "[ . + * . -]"
1 6 LYS 0.888 0.187 18 0 "[ . 1 . 2]"
1 7 GLN 2.752 0.356 1 0 "[ . 1 . 2]"
1 8 LYS 46.539 1.667 9 18 "[ ******+**********-]"
1 9 VAL 75.497 1.028 1 20 [+*-*****************]
1 10 LYS 30.743 0.838 15 9 "[- *. * *1 *+ ***]"
1 11 THR 39.055 0.627 8 20 [*******+********-***]
1 12 ILE 5.504 0.611 1 1 "[+ . 1 . 2]"
1 13 PHE 2.818 0.148 20 0 "[ . 1 . 2]"
1 14 PRO 2.732 0.148 20 0 "[ . 1 . 2]"
1 15 HIS 2.157 0.215 5 0 "[ . 1 . 2]"
1 16 THR 0.255 0.214 7 0 "[ . 1 . 2]"
1 17 ALA 2.657 0.437 7 0 "[ . 1 . 2]"
1 18 GLY 0.041 0.018 5 0 "[ . 1 . 2]"
1 20 ASN 1.163 0.533 5 1 "[ + 1 . 2]"
1 21 LYS 1.164 0.437 7 0 "[ . 1 . 2]"
1 22 THR 0.949 0.076 18 0 "[ . 1 . 2]"
1 23 LEU 5.122 0.533 5 1 "[ + 1 . 2]"
1 24 LEU 4.980 0.234 18 0 "[ . 1 . 2]"
1 25 SER 1.712 0.214 7 0 "[ . 1 . 2]"
1 26 PHE 1.922 0.259 17 0 "[ . 1 . 2]"
1 27 ALA 1.129 0.063 10 0 "[ . 1 . 2]"
1 28 GLN 2.788 0.246 17 0 "[ . 1 . 2]"
1 29 GLY 18.095 0.838 15 7 "[- *. * *1 + **2]"
1 30 ASP 13.788 0.546 17 3 "[ - . 1 .*+ 2]"
1 31 VAL 22.615 1.401 3 12 "[ + .****1* *** -**]"
1 32 ILE 30.894 1.246 18 10 "[ **** * * .**+ -]"
1 33 THR 8.129 0.356 1 0 "[ . 1 . 2]"
1 34 LEU 6.112 0.272 16 0 "[ . 1 . 2]"
1 35 LEU 34.849 0.976 13 20 [************+*******]
1 36 ILE 165.575 1.993 14 20 [*************+***-**]
1 37 PRO 8.828 0.363 7 0 "[ . 1 . 2]"
1 38 GLU 19.916 0.772 13 17 "[ ***********+*- ** *]"
1 39 GLU 4.650 0.282 13 0 "[ . 1 . 2]"
1 40 LYS 4.299 0.307 13 0 "[ . 1 . 2]"
1 41 ASP 1.066 0.175 17 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 TRP 10.418 0.374 5 0 "[ . 1 . 2]"
1 44 LEU 6.616 0.249 6 0 "[ . 1 . 2]"
1 45 TYR 78.454 1.993 14 20 [*************+**-***]
1 46 GLY 19.847 0.527 8 7 "[*** . + * . - *]"
1 47 GLU 8.018 0.480 8 0 "[ . 1 . 2]"
1 48 HIS 23.660 0.546 17 6 "[ * .* * 1 - .*+ 2]"
1 49 ASP 0.766 0.183 11 0 "[ . 1 . 2]"
1 50 VAL 13.087 0.459 8 0 "[ . 1 . 2]"
1 51 SER 8.247 0.530 6 3 "[ .+ * 1 - . 2]"
1 52 LYS 6.371 0.155 11 0 "[ . 1 . 2]"
1 53 ALA 1.908 0.065 14 0 "[ . 1 . 2]"
1 54 ARG 17.259 0.480 8 0 "[ . 1 . 2]"
1 55 GLY 3.490 0.220 12 0 "[ . 1 . 2]"
1 56 TRP 13.362 0.877 6 17 "[****.+********* *- *]"
1 57 PHE 0.628 0.040 9 0 "[ . 1 . 2]"
1 58 PRO 5.929 0.318 6 0 "[ . 1 . 2]"
1 59 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 TYR 0.840 0.146 6 0 "[ . 1 . 2]"
1 62 THR 27.043 1.003 13 20 [************+***-***]
1 63 LYS 11.729 0.611 1 10 "[+ - * ** *** * *]"
1 64 LEU 2.792 0.244 20 0 "[ . 1 . 2]"
1 65 LEU 33.256 1.667 9 18 "[****-***+1** *******]"
1 66 GLU 2.366 0.525 20 1 "[ . 1 . +]"
2 27 HIS 0.027 0.027 12 0 "[ . 1 . 2]"
2 28 ILE 33.382 1.077 6 18 "[*****+********* -* *]"
2 29 PRO 6.269 0.371 16 0 "[ . 1 . 2]"
2 30 PRO 2.853 0.117 18 0 "[ . 1 . 2]"
2 31 ALA 2.790 0.117 18 0 "[ . 1 . 2]"
2 32 PRO 2.389 0.092 7 0 "[ . 1 . 2]"
2 33 ASN 3.621 0.124 7 0 "[ . 1 . 2]"
2 34 TRP 10.996 0.124 7 0 "[ . 1 . 2]"
2 35 PRO 4.172 0.106 18 0 "[ . 1 . 2]"
2 36 ALA 15.213 0.374 5 0 "[ . 1 . 2]"
2 37 PRO 3.499 0.101 6 0 "[ . 1 . 2]"
2 38 THR 1.881 0.052 19 0 "[ . 1 . 2]"
2 39 PRO 0.775 0.038 17 0 "[ . 1 . 2]"
2 40 PRO 0.030 0.024 17 0 "[ . 1 . 2]"
2 41 VAL 0.071 0.024 17 0 "[ . 1 . 2]"
2 42 GLN 0.044 0.018 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 HIS HA 1 3 HIS HD2 . . 4.470 3.887 2.363 4.493 0.023 15 0 "[ . 1 . 2]" 1
2 1 3 HIS QB 1 3 HIS HD2 . . 3.420 2.802 2.540 3.220 . 0 0 "[ . 1 . 2]" 1
3 1 3 HIS HD2 1 4 MET QG . . 4.560 4.525 2.373 5.869 1.309 10 3 "[ . + * . -]" 1
4 1 4 MET HA 1 4 MET ME . . 4.230 3.899 2.025 4.308 0.078 6 0 "[ . 1 . 2]" 1
5 1 4 MET HA 1 4 MET QG . . 3.550 2.909 2.259 3.434 . 0 0 "[ . 1 . 2]" 1
6 1 6 LYS HA 1 7 GLN H . . 2.920 2.301 2.150 2.713 . 0 0 "[ . 1 . 2]" 1
7 1 6 LYS HA 1 33 THR MG . . 4.470 4.122 2.844 4.657 0.187 18 0 "[ . 1 . 2]" 1
8 1 6 LYS QB 1 33 THR MG . . 3.700 2.946 2.179 3.811 0.111 17 0 "[ . 1 . 2]" 1
9 1 7 GLN H 1 7 GLN QB . . 3.100 2.291 2.036 2.663 . 0 0 "[ . 1 . 2]" 1
10 1 7 GLN H 1 7 GLN HG2 . . 5.240 4.632 3.903 5.042 . 0 0 "[ . 1 . 2]" 1
11 1 7 GLN H 1 7 GLN QG . . 4.430 4.070 3.624 4.235 . 0 0 "[ . 1 . 2]" 1
12 1 7 GLN H 1 7 GLN HG3 . . 5.240 4.526 4.298 4.567 . 0 0 "[ . 1 . 2]" 1
13 1 7 GLN HA 1 7 GLN QE . . 4.400 3.285 2.928 4.027 . 0 0 "[ . 1 . 2]" 1
14 1 7 GLN HA 1 7 GLN QG . . 3.420 2.983 2.587 3.181 . 0 0 "[ . 1 . 2]" 1
15 1 7 GLN HA 1 8 LYS H . . 2.830 2.131 2.090 2.198 . 0 0 "[ . 1 . 2]" 1
16 1 7 GLN HA 1 8 LYS HA . . 4.740 4.473 4.426 4.506 . 0 0 "[ . 1 . 2]" 1
17 1 7 GLN HA 1 8 LYS QB . . 4.660 3.991 3.678 4.155 . 0 0 "[ . 1 . 2]" 1
18 1 7 GLN HA 1 33 THR MG . . 4.970 5.036 4.680 5.326 0.356 1 0 "[ . 1 . 2]" 1
19 1 7 GLN QB 1 8 LYS H . . 3.660 3.594 3.289 3.640 . 0 0 "[ . 1 . 2]" 1
20 1 7 GLN QB 1 8 LYS HA . . 4.680 4.635 4.433 4.774 0.094 18 0 "[ . 1 . 2]" 1
21 1 7 GLN QB 1 34 LEU QD . . 4.670 2.836 2.233 3.227 . 0 0 "[ . 1 . 2]" 1
22 1 7 GLN QE 1 7 GLN QG . . 3.100 2.208 2.145 2.267 . 0 0 "[ . 1 . 2]" 1
23 1 7 GLN QE 1 8 LYS H . . 3.900 2.337 2.227 2.974 . 0 0 "[ . 1 . 2]" 1
24 1 7 GLN QE 1 64 LEU MD2 . . 3.560 2.685 1.789 3.497 . 0 0 "[ . 1 . 2]" 1
25 1 7 GLN QE 1 65 LEU H . . 3.810 3.428 3.033 3.662 . 0 0 "[ . 1 . 2]" 1
26 1 7 GLN QE 1 65 LEU QB . . 4.300 3.405 3.078 3.734 . 0 0 "[ . 1 . 2]" 1
27 1 7 GLN QE 1 66 GLU H . . 4.210 3.942 3.194 4.247 0.037 18 0 "[ . 1 . 2]" 1
28 1 7 GLN HE21 1 8 LYS H . . 4.580 2.412 2.285 3.013 . 0 0 "[ . 1 . 2]" 1
29 1 7 GLN HE21 1 65 LEU H . . 4.440 3.703 3.364 4.548 0.108 17 0 "[ . 1 . 2]" 1
30 1 7 GLN HE22 1 8 LYS H . . 4.580 3.249 2.449 4.582 0.002 18 0 "[ . 1 . 2]" 1
31 1 7 GLN HE22 1 65 LEU H . . 4.440 4.167 3.079 4.456 0.016 16 0 "[ . 1 . 2]" 1
32 1 7 GLN QG 1 8 LYS H . . 3.830 2.775 2.631 3.485 . 0 0 "[ . 1 . 2]" 1
33 1 7 GLN QG 1 34 LEU QB . . 4.760 3.829 3.225 4.073 . 0 0 "[ . 1 . 2]" 1
34 1 7 GLN QG 1 34 LEU QD . . 3.590 2.365 2.012 2.542 . 0 0 "[ . 1 . 2]" 1
35 1 7 GLN QG 1 34 LEU HG . . 3.700 2.961 2.111 3.537 . 0 0 "[ . 1 . 2]" 1
36 1 7 GLN HG2 1 8 LYS H . . 4.410 4.153 3.670 4.218 . 0 0 "[ . 1 . 2]" 1
37 1 7 GLN HG3 1 8 LYS H . . 4.410 2.853 2.660 4.343 . 0 0 "[ . 1 . 2]" 1
38 1 8 LYS H 1 8 LYS QD . . 4.430 3.539 3.115 3.967 . 0 0 "[ . 1 . 2]" 1
39 1 8 LYS H 1 8 LYS QG . . 4.040 4.138 4.037 4.201 0.161 1 0 "[ . 1 . 2]" 1
40 1 8 LYS H 1 33 THR HA . . 5.430 5.066 4.844 5.278 . 0 0 "[ . 1 . 2]" 1
41 1 8 LYS H 1 65 LEU H . . 5.150 5.037 4.624 5.191 0.041 10 0 "[ . 1 . 2]" 1
42 1 8 LYS H 1 65 LEU QB . . 4.270 3.975 3.617 4.234 . 0 0 "[ . 1 . 2]" 1
43 1 8 LYS H 1 65 LEU QD . . 4.760 4.398 3.657 4.998 0.238 17 0 "[ . 1 . 2]" 1
44 1 8 LYS H 1 65 LEU HG . . 5.290 5.581 4.469 6.957 1.667 9 7 "[ *.-* +1 * . **]" 1
45 1 8 LYS HA 1 8 LYS QD . . 4.090 2.855 2.657 3.101 . 0 0 "[ . 1 . 2]" 1
46 1 8 LYS HA 1 8 LYS QG . . 3.410 2.316 2.142 2.404 . 0 0 "[ . 1 . 2]" 1
47 1 8 LYS HA 1 9 VAL H . . 2.790 2.223 2.090 2.283 . 0 0 "[ . 1 . 2]" 1
48 1 8 LYS HA 1 9 VAL QG . . 3.980 3.234 3.172 3.267 . 0 0 "[ . 1 . 2]" 1
49 1 8 LYS HA 1 31 VAL QG . . 4.560 4.222 3.927 4.491 . 0 0 "[ . 1 . 2]" 1
50 1 8 LYS HA 1 32 ILE MG . . 5.080 5.195 5.063 5.343 0.263 1 0 "[ . 1 . 2]" 1
51 1 8 LYS HA 1 33 THR HA . . 3.120 2.413 2.299 2.583 . 0 0 "[ . 1 . 2]" 1
52 1 8 LYS HA 1 33 THR MG . . 3.930 3.730 3.559 3.846 . 0 0 "[ . 1 . 2]" 1
53 1 8 LYS HA 1 34 LEU H . . 3.780 3.370 3.200 3.533 . 0 0 "[ . 1 . 2]" 1
54 1 8 LYS HA 1 34 LEU HG . . 3.740 3.493 3.297 3.747 0.007 17 0 "[ . 1 . 2]" 1
55 1 8 LYS HA 1 65 LEU QD . . 5.130 4.507 4.278 4.675 . 0 0 "[ . 1 . 2]" 1
56 1 8 LYS QB 1 8 LYS QE . . 4.450 3.469 2.119 3.869 . 0 0 "[ . 1 . 2]" 1
57 1 8 LYS QB 1 9 VAL H . . 3.400 2.629 2.391 3.144 . 0 0 "[ . 1 . 2]" 1
58 1 8 LYS QB 1 31 VAL QG . . 3.340 2.790 2.479 3.457 0.117 16 0 "[ . 1 . 2]" 1
59 1 8 LYS QB 1 32 ILE H . . 5.160 4.157 3.599 4.955 . 0 0 "[ . 1 . 2]" 1
60 1 8 LYS QB 1 32 ILE HA . . 5.500 5.956 5.428 6.527 1.027 16 7 "[ * * * * .+* -]" 1
61 1 8 LYS QB 1 65 LEU QD . . 3.970 2.153 1.951 2.494 . 0 0 "[ . 1 . 2]" 1
62 1 8 LYS QD 1 9 VAL H . . 4.890 4.437 4.122 4.659 . 0 0 "[ . 1 . 2]" 1
63 1 8 LYS QD 1 31 VAL QG . . 3.280 3.671 3.455 3.827 0.547 18 1 "[ . 1 . + 2]" 1
64 1 8 LYS QD 1 33 THR HA . . 4.390 2.953 2.468 3.323 . 0 0 "[ . 1 . 2]" 1
65 1 8 LYS QD 1 33 THR HB . . 5.500 4.508 4.149 5.045 . 0 0 "[ . 1 . 2]" 1
66 1 8 LYS QE 1 31 VAL HB . . 4.470 5.043 4.080 5.871 1.401 3 12 "[ + .***-1* *** ***]" 1
67 1 8 LYS QE 1 32 ILE HA . . 5.500 5.105 4.005 6.746 1.246 18 4 "[ .**- 1 . + 2]" 1
68 1 8 LYS QE 1 33 THR MG . . 4.190 3.352 2.560 4.232 0.042 6 0 "[ . 1 . 2]" 1
69 1 8 LYS QG 1 9 VAL H . . 4.510 2.884 2.429 3.150 . 0 0 "[ . 1 . 2]" 1
70 1 8 LYS QG 1 9 VAL QG . . 5.070 4.093 3.900 4.227 . 0 0 "[ . 1 . 2]" 1
71 1 8 LYS QG 1 31 VAL QG . . 2.840 2.047 1.993 2.104 . 0 0 "[ . 1 . 2]" 1
72 1 8 LYS QG 1 32 ILE MG . . 5.340 4.987 4.701 5.165 . 0 0 "[ . 1 . 2]" 1
73 1 8 LYS QG 1 33 THR H . . 4.850 4.100 3.694 4.422 . 0 0 "[ . 1 . 2]" 1
74 1 8 LYS QG 1 33 THR HA . . 3.230 2.760 2.120 3.094 . 0 0 "[ . 1 . 2]" 1
75 1 8 LYS QG 1 33 THR HB . . 5.410 4.814 4.129 5.333 . 0 0 "[ . 1 . 2]" 1
76 1 8 LYS QG 1 34 LEU H . . 5.100 4.641 3.979 4.907 . 0 0 "[ . 1 . 2]" 1
77 1 9 VAL H 1 9 VAL MG1 . . 4.070 3.172 3.084 3.198 . 0 0 "[ . 1 . 2]" 1
78 1 9 VAL H 1 9 VAL QG . . 3.000 2.258 2.181 2.309 . 0 0 "[ . 1 . 2]" 1
79 1 9 VAL H 1 9 VAL MG2 . . 4.070 2.312 2.230 2.369 . 0 0 "[ . 1 . 2]" 1
80 1 9 VAL H 1 31 VAL QG . . 3.660 3.605 3.329 3.910 0.250 1 0 "[ . 1 . 2]" 1
81 1 9 VAL H 1 32 ILE H . . 3.770 2.979 2.857 3.145 . 0 0 "[ . 1 . 2]" 1
82 1 9 VAL H 1 32 ILE HB . . 4.250 4.025 3.930 4.155 . 0 0 "[ . 1 . 2]" 1
83 1 9 VAL H 1 32 ILE MD . . 5.500 5.900 5.812 5.993 0.493 10 0 "[ . 1 . 2]" 1
84 1 9 VAL H 1 32 ILE QG . . 5.340 5.235 5.129 5.357 0.017 1 0 "[ . 1 . 2]" 1
85 1 9 VAL H 1 33 THR HA . . 4.290 3.682 3.556 3.834 . 0 0 "[ . 1 . 2]" 1
86 1 9 VAL H 1 65 LEU QD . . 4.010 3.949 3.495 4.119 0.109 17 0 "[ . 1 . 2]" 1
87 1 9 VAL HA 1 9 VAL MG1 . . 3.640 2.294 2.276 2.310 . 0 0 "[ . 1 . 2]" 1
88 1 9 VAL HA 1 9 VAL QG . . 2.800 2.251 2.236 2.265 . 0 0 "[ . 1 . 2]" 1
89 1 9 VAL HA 1 9 VAL MG2 . . 3.640 3.266 3.255 3.276 . 0 0 "[ . 1 . 2]" 1
90 1 9 VAL HA 1 10 LYS H . . 3.270 2.270 2.179 2.319 . 0 0 "[ . 1 . 2]" 1
91 1 9 VAL HA 1 10 LYS HB2 . . 4.780 4.245 3.990 4.416 . 0 0 "[ . 1 . 2]" 1
92 1 9 VAL HA 1 10 LYS HB3 . . 4.780 4.524 4.357 4.646 . 0 0 "[ . 1 . 2]" 1
93 1 9 VAL HA 1 34 LEU QD . . 4.810 4.489 4.428 4.628 . 0 0 "[ . 1 . 2]" 1
94 1 9 VAL HA 1 64 LEU HA . . 3.660 3.006 2.604 3.235 . 0 0 "[ . 1 . 2]" 1
95 1 9 VAL HA 1 64 LEU MD1 . . 4.300 3.876 2.963 4.320 0.020 19 0 "[ . 1 . 2]" 1
96 1 9 VAL HA 1 64 LEU MD2 . . 4.500 3.999 3.437 4.251 . 0 0 "[ . 1 . 2]" 1
97 1 9 VAL HA 1 65 LEU H . . 3.540 2.437 2.245 2.597 . 0 0 "[ . 1 . 2]" 1
98 1 9 VAL HA 1 65 LEU QB . . 4.210 2.699 2.510 2.920 . 0 0 "[ . 1 . 2]" 1
99 1 9 VAL HA 1 65 LEU HG . . 4.800 5.520 4.916 5.828 1.028 1 17 "[+***-*** 1** *******]" 1
100 1 9 VAL HB 1 10 LYS H . . 3.680 2.614 2.470 2.981 . 0 0 "[ . 1 . 2]" 1
101 1 9 VAL HB 1 10 LYS HA . . 4.770 4.523 4.456 4.573 . 0 0 "[ . 1 . 2]" 1
102 1 9 VAL HB 1 11 THR HA . . 5.010 5.282 5.201 5.345 0.335 6 0 "[ . 1 . 2]" 1
103 1 9 VAL HB 1 11 THR MG . . 4.470 5.046 4.849 5.097 0.627 8 19 "[*******+*****-** ***]" 1
104 1 9 VAL HB 1 62 THR HA . . 4.790 4.487 4.401 4.631 . 0 0 "[ . 1 . 2]" 1
105 1 9 VAL HB 1 62 THR HB . . 3.060 2.189 2.094 2.332 . 0 0 "[ . 1 . 2]" 1
106 1 9 VAL HB 1 62 THR MG . . 3.850 3.222 2.885 3.485 . 0 0 "[ . 1 . 2]" 1
107 1 9 VAL HB 1 64 LEU HA . . 5.500 3.957 3.423 4.247 . 0 0 "[ . 1 . 2]" 1
108 1 9 VAL HB 1 65 LEU H . . 5.500 4.593 4.413 4.730 . 0 0 "[ . 1 . 2]" 1
109 1 9 VAL QG 1 10 LYS H . . 3.630 3.272 3.193 3.437 . 0 0 "[ . 1 . 2]" 1
110 1 9 VAL QG 1 11 THR H . . 5.160 4.738 4.672 4.854 . 0 0 "[ . 1 . 2]" 1
111 1 9 VAL QG 1 11 THR HA . . 4.460 4.852 4.774 4.935 0.475 18 0 "[ . 1 . 2]" 1
112 1 9 VAL QG 1 11 THR MG . . 4.760 3.800 3.687 3.852 . 0 0 "[ . 1 . 2]" 1
113 1 9 VAL QG 1 32 ILE H . . 3.840 3.046 2.906 3.141 . 0 0 "[ . 1 . 2]" 1
114 1 9 VAL QG 1 32 ILE HA . . 5.290 4.286 4.217 4.358 . 0 0 "[ . 1 . 2]" 1
115 1 9 VAL QG 1 32 ILE HB . . 3.080 2.168 2.085 2.232 . 0 0 "[ . 1 . 2]" 1
116 1 9 VAL QG 1 32 ILE MD . . 4.240 3.522 3.408 3.603 . 0 0 "[ . 1 . 2]" 1
117 1 9 VAL QG 1 32 ILE MG . . 3.500 3.013 2.954 3.064 . 0 0 "[ . 1 . 2]" 1
118 1 9 VAL QG 1 33 THR HA . . 4.230 3.827 3.799 3.854 . 0 0 "[ . 1 . 2]" 1
119 1 9 VAL QG 1 34 LEU HA . . 5.440 4.246 4.192 4.299 . 0 0 "[ . 1 . 2]" 1
120 1 9 VAL QG 1 34 LEU HG . . 3.730 2.955 2.784 3.168 . 0 0 "[ . 1 . 2]" 1
121 1 9 VAL QG 1 57 PHE QE . . 4.020 3.240 2.957 3.448 . 0 0 "[ . 1 . 2]" 1
122 1 9 VAL QG 1 62 THR HA . . 3.670 4.558 4.448 4.673 1.003 13 20 [*******-****+*******] 1
123 1 9 VAL QG 1 62 THR HB . . 3.080 2.834 2.693 2.984 . 0 0 "[ . 1 . 2]" 1
124 1 9 VAL QG 1 63 LYS H . . 3.620 4.067 3.932 4.199 0.579 13 9 "[ - * ** +** * *]" 1
125 1 9 VAL QG 1 64 LEU HA . . 2.780 2.464 2.252 2.715 . 0 0 "[ . 1 . 2]" 1
126 1 9 VAL QG 1 65 LEU H . . 3.430 3.346 3.135 3.425 . 0 0 "[ . 1 . 2]" 1
127 1 9 VAL MG1 1 10 LYS H . . 4.430 3.614 3.531 3.760 . 0 0 "[ . 1 . 2]" 1
128 1 9 VAL MG1 1 62 THR HB . . 3.620 3.551 3.477 3.606 . 0 0 "[ . 1 . 2]" 1
129 1 9 VAL MG2 1 10 LYS H . . 4.430 3.740 3.635 3.976 . 0 0 "[ . 1 . 2]" 1
130 1 9 VAL MG2 1 62 THR HB . . 3.620 2.984 2.790 3.208 . 0 0 "[ . 1 . 2]" 1
131 1 10 LYS H 1 10 LYS HB2 . . 3.910 2.981 2.832 3.156 . 0 0 "[ . 1 . 2]" 1
132 1 10 LYS H 1 10 LYS QB . . 3.290 2.468 2.412 2.554 . 0 0 "[ . 1 . 2]" 1
133 1 10 LYS H 1 10 LYS HB3 . . 3.910 2.636 2.577 2.720 . 0 0 "[ . 1 . 2]" 1
134 1 10 LYS H 1 11 THR MG . . 5.030 5.159 5.058 5.277 0.247 8 0 "[ . 1 . 2]" 1
135 1 10 LYS H 1 62 THR HB . . 4.370 3.440 3.213 3.706 . 0 0 "[ . 1 . 2]" 1
136 1 10 LYS H 1 64 LEU H . . 5.370 4.550 3.463 5.200 . 0 0 "[ . 1 . 2]" 1
137 1 10 LYS H 1 64 LEU HA . . 4.150 3.835 3.233 4.155 0.005 4 0 "[ . 1 . 2]" 1
138 1 10 LYS H 1 64 LEU QB . . 5.500 5.422 4.826 5.744 0.244 20 0 "[ . 1 . 2]" 1
139 1 10 LYS H 1 65 LEU H . . 4.220 3.590 3.358 3.798 . 0 0 "[ . 1 . 2]" 1
140 1 10 LYS H 1 65 LEU HA . . 4.170 3.449 2.888 3.838 . 0 0 "[ . 1 . 2]" 1
141 1 10 LYS H 1 65 LEU QB . . 4.250 3.477 3.351 3.688 . 0 0 "[ . 1 . 2]" 1
142 1 10 LYS HA 1 10 LYS QD . . 3.840 3.464 2.790 4.180 0.340 14 0 "[ . 1 . 2]" 1
143 1 10 LYS HA 1 10 LYS QE . . 4.540 4.399 3.264 4.676 0.136 9 0 "[ . 1 . 2]" 1
144 1 10 LYS HA 1 10 LYS HG2 . . 3.910 3.452 3.053 3.704 . 0 0 "[ . 1 . 2]" 1
145 1 10 LYS HA 1 10 LYS QG . . 3.180 2.427 2.320 2.584 . 0 0 "[ . 1 . 2]" 1
146 1 10 LYS HA 1 10 LYS HG3 . . 3.910 2.484 2.390 2.637 . 0 0 "[ . 1 . 2]" 1
147 1 10 LYS HA 1 11 THR H . . 2.990 2.130 2.053 2.180 . 0 0 "[ . 1 . 2]" 1
148 1 10 LYS HA 1 11 THR MG . . 4.060 3.542 3.426 3.642 . 0 0 "[ . 1 . 2]" 1
149 1 10 LYS HA 1 32 ILE H . . 4.790 3.650 3.535 3.737 . 0 0 "[ . 1 . 2]" 1
150 1 10 LYS HA 1 65 LEU QD . . 3.430 3.753 3.291 4.039 0.609 1 3 "[+ . 1 -. *]" 1
151 1 10 LYS QB 1 10 LYS QE . . 4.000 2.656 2.025 3.702 . 0 0 "[ . 1 . 2]" 1
152 1 10 LYS QB 1 31 VAL HA . . 5.340 4.011 3.694 4.198 . 0 0 "[ . 1 . 2]" 1
153 1 10 LYS QB 1 65 LEU HA . . 3.170 2.573 2.084 3.056 . 0 0 "[ . 1 . 2]" 1
154 1 10 LYS HB2 1 10 LYS QE . . 4.710 3.044 2.121 3.978 . 0 0 "[ . 1 . 2]" 1
155 1 10 LYS HB2 1 65 LEU QD . . 3.430 2.212 2.058 2.456 . 0 0 "[ . 1 . 2]" 1
156 1 10 LYS HB3 1 10 LYS QE . . 4.710 3.156 2.061 4.422 . 0 0 "[ . 1 . 2]" 1
157 1 10 LYS HB3 1 65 LEU QD . . 3.430 3.303 3.034 3.468 0.038 9 0 "[ . 1 . 2]" 1
158 1 10 LYS QD 1 11 THR H . . 5.410 4.170 3.525 4.773 . 0 0 "[ . 1 . 2]" 1
159 1 10 LYS QD 1 29 GLY HA2 . . 4.000 3.091 2.401 3.797 . 0 0 "[ . 1 . 2]" 1
160 1 10 LYS QD 1 29 GLY HA3 . . 4.490 4.220 3.492 4.853 0.363 10 0 "[ . 1 . 2]" 1
161 1 10 LYS QD 1 30 ASP H . . 5.500 4.832 3.905 5.858 0.358 6 0 "[ . 1 . 2]" 1
162 1 10 LYS QD 1 65 LEU HA . . 4.950 4.209 3.060 5.063 0.113 8 0 "[ . 1 . 2]" 1
163 1 10 LYS QD 1 65 LEU QD . . 2.980 2.474 1.980 2.950 . 0 0 "[ . 1 . 2]" 1
164 1 10 LYS QE 1 10 LYS QG . . 3.320 2.321 2.078 2.492 . 0 0 "[ . 1 . 2]" 1
165 1 10 LYS QE 1 29 GLY HA2 . . 3.810 3.529 2.378 3.944 0.134 18 0 "[ . 1 . 2]" 1
166 1 10 LYS QE 1 29 GLY HA3 . . 4.970 4.636 3.235 5.272 0.302 7 0 "[ . 1 . 2]" 1
167 1 10 LYS QE 1 65 LEU HA . . 5.500 4.197 2.914 5.519 0.019 19 0 "[ . 1 . 2]" 1
168 1 10 LYS QE 1 65 LEU QD . . 3.650 2.849 1.979 3.185 . 0 0 "[ . 1 . 2]" 1
169 1 10 LYS QG 1 11 THR H . . 3.940 2.509 2.245 2.798 . 0 0 "[ . 1 . 2]" 1
170 1 10 LYS QG 1 29 GLY HA2 . . 3.750 2.669 2.464 2.962 . 0 0 "[ . 1 . 2]" 1
171 1 10 LYS QG 1 29 GLY HA3 . . 3.920 4.152 3.929 4.396 0.476 7 0 "[ . 1 . 2]" 1
172 1 10 LYS HG2 1 29 GLY HA2 . . 4.370 3.134 2.665 3.703 . 0 0 "[ . 1 . 2]" 1
173 1 10 LYS HG2 1 29 GLY HA3 . . 4.540 4.843 4.417 5.378 0.838 15 6 "[- *. *1 + **2]" 1
174 1 10 LYS HG3 1 29 GLY HA2 . . 4.370 2.987 2.660 3.730 . 0 0 "[ . 1 . 2]" 1
175 1 10 LYS HG3 1 29 GLY HA3 . . 4.540 4.551 4.305 5.094 0.554 7 1 "[ . + 1 . 2]" 1
176 1 11 THR H 1 11 THR MG . . 3.120 2.296 2.219 2.371 . 0 0 "[ . 1 . 2]" 1
177 1 11 THR H 1 29 GLY H . . 4.480 3.926 3.660 4.053 . 0 0 "[ . 1 . 2]" 1
178 1 11 THR H 1 30 ASP H . . 4.280 3.418 3.137 4.080 . 0 0 "[ . 1 . 2]" 1
179 1 11 THR H 1 31 VAL HA . . 4.450 3.825 3.414 4.081 . 0 0 "[ . 1 . 2]" 1
180 1 11 THR H 1 31 VAL QG . . 5.500 4.405 3.988 4.634 . 0 0 "[ . 1 . 2]" 1
181 1 11 THR H 1 65 LEU QD . . 5.500 5.294 4.940 5.535 0.035 20 0 "[ . 1 . 2]" 1
182 1 11 THR HA 1 11 THR MG . . 3.190 2.508 2.449 2.532 . 0 0 "[ . 1 . 2]" 1
183 1 11 THR HA 1 12 ILE H . . 3.310 2.276 2.244 2.322 . 0 0 "[ . 1 . 2]" 1
184 1 11 THR HA 1 12 ILE MD . . 4.100 4.244 4.103 4.353 0.253 11 0 "[ . 1 . 2]" 1
185 1 11 THR HA 1 12 ILE QG . . 5.180 3.539 3.432 3.655 . 0 0 "[ . 1 . 2]" 1
186 1 11 THR HA 1 12 ILE MG . . 4.150 3.814 3.705 3.985 . 0 0 "[ . 1 . 2]" 1
187 1 11 THR HA 1 13 PHE H . . 4.600 4.027 3.971 4.129 . 0 0 "[ . 1 . 2]" 1
188 1 11 THR HA 1 28 GLN HA . . 5.330 5.062 4.979 5.264 . 0 0 "[ . 1 . 2]" 1
189 1 11 THR HA 1 62 THR HA . . 3.170 2.221 2.103 2.406 . 0 0 "[ . 1 . 2]" 1
190 1 11 THR HA 1 62 THR HB . . 3.510 3.578 3.370 3.784 0.274 14 0 "[ . 1 . 2]" 1
191 1 11 THR HA 1 62 THR MG . . 3.110 2.174 2.095 2.239 . 0 0 "[ . 1 . 2]" 1
192 1 11 THR HA 1 63 LYS H . . 4.250 3.870 3.619 4.259 0.009 11 0 "[ . 1 . 2]" 1
193 1 11 THR HB 1 12 ILE H . . 3.810 2.740 2.635 2.875 . 0 0 "[ . 1 . 2]" 1
194 1 11 THR HB 1 12 ILE MD . . 4.500 4.523 4.493 4.548 0.048 15 0 "[ . 1 . 2]" 1
195 1 11 THR HB 1 13 PHE H . . 3.880 2.976 2.928 3.054 . 0 0 "[ . 1 . 2]" 1
196 1 11 THR HB 1 26 PHE QD . . 4.380 2.949 2.763 3.071 . 0 0 "[ . 1 . 2]" 1
197 1 11 THR HB 1 28 GLN HA . . 4.010 3.369 3.261 3.598 . 0 0 "[ . 1 . 2]" 1
198 1 11 THR HB 1 29 GLY H . . 4.550 3.925 3.828 4.074 . 0 0 "[ . 1 . 2]" 1
199 1 11 THR HB 1 62 THR HA . . 4.170 4.475 4.303 4.681 0.511 14 2 "[ . 1 +. - 2]" 1
200 1 11 THR HB 1 62 THR MG . . 3.950 3.547 3.252 3.746 . 0 0 "[ . 1 . 2]" 1
201 1 11 THR MG 1 12 ILE H . . 3.960 3.886 3.821 3.972 0.012 1 0 "[ . 1 . 2]" 1
202 1 11 THR MG 1 13 PHE H . . 4.490 4.502 4.484 4.542 0.052 1 0 "[ . 1 . 2]" 1
203 1 11 THR MG 1 26 PHE HB2 . . 3.880 2.741 2.623 2.874 . 0 0 "[ . 1 . 2]" 1
204 1 11 THR MG 1 26 PHE HB3 . . 4.420 3.605 3.493 3.733 . 0 0 "[ . 1 . 2]" 1
205 1 11 THR MG 1 26 PHE QD . . 3.830 2.651 2.598 2.726 . 0 0 "[ . 1 . 2]" 1
206 1 11 THR MG 1 26 PHE QE . . 4.180 2.968 2.887 3.236 . 0 0 "[ . 1 . 2]" 1
207 1 11 THR MG 1 28 GLN HA . . 4.590 4.524 4.405 4.694 0.104 17 0 "[ . 1 . 2]" 1
208 1 11 THR MG 1 29 GLY H . . 4.820 4.520 4.401 4.623 . 0 0 "[ . 1 . 2]" 1
209 1 11 THR MG 1 30 ASP H . . 3.920 3.543 3.203 3.932 0.012 17 0 "[ . 1 . 2]" 1
210 1 11 THR MG 1 30 ASP HB2 . . 4.140 2.667 2.456 2.895 . 0 0 "[ . 1 . 2]" 1
211 1 11 THR MG 1 30 ASP QB . . 3.500 2.585 2.357 2.795 . 0 0 "[ . 1 . 2]" 1
212 1 11 THR MG 1 30 ASP HB3 . . 4.140 3.476 3.037 3.732 . 0 0 "[ . 1 . 2]" 1
213 1 11 THR MG 1 31 VAL HA . . 4.620 4.109 3.791 4.346 . 0 0 "[ . 1 . 2]" 1
214 1 11 THR MG 1 32 ILE H . . 4.630 4.263 4.147 4.400 . 0 0 "[ . 1 . 2]" 1
215 1 11 THR MG 1 32 ILE HB . . 3.950 3.783 3.720 3.877 . 0 0 "[ . 1 . 2]" 1
216 1 11 THR MG 1 32 ILE MD . . 2.970 2.311 2.194 2.447 . 0 0 "[ . 1 . 2]" 1
217 1 11 THR MG 1 32 ILE HG12 . . 4.430 3.857 3.669 4.008 . 0 0 "[ . 1 . 2]" 1
218 1 11 THR MG 1 32 ILE QG . . 3.790 2.573 2.399 2.713 . 0 0 "[ . 1 . 2]" 1
219 1 11 THR MG 1 32 ILE HG13 . . 4.430 2.612 2.432 2.759 . 0 0 "[ . 1 . 2]" 1
220 1 11 THR MG 1 62 THR HA . . 4.360 3.951 3.794 4.124 . 0 0 "[ . 1 . 2]" 1
221 1 11 THR MG 1 62 THR MG . . 3.150 2.095 2.041 2.177 . 0 0 "[ . 1 . 2]" 1
222 1 12 ILE H 1 12 ILE MD . . 4.160 2.432 2.340 2.502 . 0 0 "[ . 1 . 2]" 1
223 1 12 ILE H 1 12 ILE HG12 . . 4.200 3.855 3.801 3.894 . 0 0 "[ . 1 . 2]" 1
224 1 12 ILE H 1 12 ILE QG . . 3.670 2.333 2.276 2.360 . 0 0 "[ . 1 . 2]" 1
225 1 12 ILE H 1 12 ILE HG13 . . 4.200 2.353 2.294 2.381 . 0 0 "[ . 1 . 2]" 1
226 1 12 ILE H 1 12 ILE MG . . 4.150 3.182 3.079 3.317 . 0 0 "[ . 1 . 2]" 1
227 1 12 ILE H 1 13 PHE H . . 3.630 2.139 2.099 2.245 . 0 0 "[ . 1 . 2]" 1
228 1 12 ILE H 1 62 THR HA . . 3.580 3.088 2.936 3.310 . 0 0 "[ . 1 . 2]" 1
229 1 12 ILE H 1 62 THR MG . . 4.170 3.850 3.716 3.946 . 0 0 "[ . 1 . 2]" 1
230 1 12 ILE H 1 63 LYS QG . . 4.870 4.820 4.525 5.481 0.611 1 1 "[+ . 1 . 2]" 1
231 1 12 ILE HA 1 12 ILE MD . . 3.950 3.650 3.632 3.669 . 0 0 "[ . 1 . 2]" 1
232 1 12 ILE HA 1 12 ILE MG . . 3.180 2.167 2.139 2.201 . 0 0 "[ . 1 . 2]" 1
233 1 12 ILE HA 1 28 GLN HA . . 4.560 3.603 3.432 3.817 . 0 0 "[ . 1 . 2]" 1
234 1 12 ILE HA 1 28 GLN HB2 . . 4.510 4.457 4.300 4.657 0.147 5 0 "[ . 1 . 2]" 1
235 1 12 ILE HA 1 28 GLN HG2 . . 4.000 3.909 3.738 4.052 0.052 11 0 "[ . 1 . 2]" 1
236 1 12 ILE HA 1 28 GLN HG3 . . 4.000 2.431 2.251 2.636 . 0 0 "[ . 1 . 2]" 1
237 1 12 ILE HB 1 12 ILE MD . . 3.360 2.445 2.406 2.467 . 0 0 "[ . 1 . 2]" 1
238 1 12 ILE HB 1 13 PHE H . . 4.600 4.194 4.162 4.235 . 0 0 "[ . 1 . 2]" 1
239 1 12 ILE HB 1 13 PHE QD . . 5.110 3.918 3.726 4.007 . 0 0 "[ . 1 . 2]" 1
240 1 12 ILE MD 1 13 PHE QD . . 4.700 2.151 2.125 2.241 . 0 0 "[ . 1 . 2]" 1
241 1 12 ILE MD 1 13 PHE QE . . 4.180 3.561 3.469 3.653 . 0 0 "[ . 1 . 2]" 1
242 1 12 ILE MD 1 61 TYR HA . . 4.140 2.207 2.124 2.288 . 0 0 "[ . 1 . 2]" 1
243 1 12 ILE MD 1 62 THR HA . . 4.250 3.913 3.729 4.100 . 0 0 "[ . 1 . 2]" 1
244 1 12 ILE MD 1 63 LYS QD . . 4.240 4.073 3.769 4.220 . 0 0 "[ . 1 . 2]" 1
245 1 12 ILE MD 1 63 LYS QG . . 4.720 3.851 3.701 4.283 . 0 0 "[ . 1 . 2]" 1
246 1 12 ILE QG 1 13 PHE H . . 4.680 3.845 3.786 3.911 . 0 0 "[ . 1 . 2]" 1
247 1 12 ILE QG 1 61 TYR HA . . 4.060 3.626 3.429 3.825 . 0 0 "[ . 1 . 2]" 1
248 1 12 ILE QG 1 62 THR HA . . 4.140 2.712 2.571 2.817 . 0 0 "[ . 1 . 2]" 1
249 1 12 ILE QG 1 63 LYS H . . 4.560 3.830 3.585 4.235 . 0 0 "[ . 1 . 2]" 1
250 1 12 ILE QG 1 63 LYS QG . . 4.690 2.409 2.209 2.818 . 0 0 "[ . 1 . 2]" 1
251 1 12 ILE HG12 1 61 TYR HA . . 4.630 4.535 4.346 4.696 0.066 19 0 "[ . 1 . 2]" 1
252 1 12 ILE HG12 1 62 THR HA . . 4.920 4.314 4.126 4.400 . 0 0 "[ . 1 . 2]" 1
253 1 12 ILE HG13 1 61 TYR HA . . 4.630 3.814 3.591 4.052 . 0 0 "[ . 1 . 2]" 1
254 1 12 ILE HG13 1 62 THR HA . . 4.920 2.741 2.597 2.853 . 0 0 "[ . 1 . 2]" 1
255 1 12 ILE MG 1 62 THR HA . . 4.620 3.601 3.411 4.008 . 0 0 "[ . 1 . 2]" 1
256 1 12 ILE MG 1 63 LYS H . . 4.280 3.634 3.243 4.018 . 0 0 "[ . 1 . 2]" 1
257 1 12 ILE MG 1 63 LYS QB . . 3.580 3.146 2.831 3.765 0.185 19 0 "[ . 1 . 2]" 1
258 1 12 ILE MG 1 63 LYS QD . . 3.690 2.792 1.992 3.767 0.077 15 0 "[ . 1 . 2]" 1
259 1 12 ILE MG 1 63 LYS QE . . 4.320 3.988 3.298 4.378 0.058 14 0 "[ . 1 . 2]" 1
260 1 12 ILE MG 1 63 LYS QG . . 3.470 2.458 2.019 3.452 . 0 0 "[ . 1 . 2]" 1
261 1 13 PHE H 1 13 PHE QD . . 4.630 4.095 3.986 4.165 . 0 0 "[ . 1 . 2]" 1
262 1 13 PHE H 1 28 GLN HA . . 4.590 3.299 3.167 3.448 . 0 0 "[ . 1 . 2]" 1
263 1 13 PHE H 1 28 GLN QG . . 5.340 3.989 3.908 4.103 . 0 0 "[ . 1 . 2]" 1
264 1 13 PHE H 1 62 THR HA . . 5.380 5.126 4.923 5.401 0.021 11 0 "[ . 1 . 2]" 1
265 1 13 PHE HA 1 14 PRO HD2 . . 3.570 2.571 2.537 2.604 . 0 0 "[ . 1 . 2]" 1
266 1 13 PHE HA 1 14 PRO HD3 . . 3.380 2.506 2.458 2.543 . 0 0 "[ . 1 . 2]" 1
267 1 13 PHE HA 1 14 PRO QG . . 4.350 4.198 4.178 4.216 . 0 0 "[ . 1 . 2]" 1
268 1 13 PHE HA 1 28 GLN HG2 . . 5.040 4.847 4.797 4.896 . 0 0 "[ . 1 . 2]" 1
269 1 13 PHE HA 1 28 GLN QG . . 4.220 3.480 3.371 3.544 . 0 0 "[ . 1 . 2]" 1
270 1 13 PHE HA 1 28 GLN HG3 . . 5.040 3.567 3.444 3.639 . 0 0 "[ . 1 . 2]" 1
271 1 13 PHE HB2 1 14 PRO HD3 . . 4.760 4.888 4.856 4.908 0.148 20 0 "[ . 1 . 2]" 1
272 1 13 PHE HB2 1 61 TYR HB3 . . 5.200 4.811 4.554 4.984 . 0 0 "[ . 1 . 2]" 1
273 1 13 PHE HB2 1 61 TYR QD . . 4.620 3.608 2.910 4.023 . 0 0 "[ . 1 . 2]" 1
274 1 13 PHE HB2 2 39 PRO HA . . 5.450 4.169 4.079 4.253 . 0 0 "[ . 1 . 2]" 1
275 1 13 PHE HB2 2 39 PRO QB . . 5.020 3.201 3.109 3.349 . 0 0 "[ . 1 . 2]" 1
276 1 13 PHE HB2 2 40 PRO QD . . 3.770 3.635 3.511 3.735 . 0 0 "[ . 1 . 2]" 1
277 1 13 PHE HB3 1 14 PRO HD2 . . 3.820 2.262 2.210 2.301 . 0 0 "[ . 1 . 2]" 1
278 1 13 PHE HB3 1 14 PRO HD3 . . 3.970 3.684 3.641 3.724 . 0 0 "[ . 1 . 2]" 1
279 1 13 PHE HB3 1 61 TYR QD . . 5.090 4.119 3.543 4.522 . 0 0 "[ . 1 . 2]" 1
280 1 13 PHE HB3 1 61 TYR QE . . 4.830 3.727 2.917 4.207 . 0 0 "[ . 1 . 2]" 1
281 1 13 PHE HB3 2 39 PRO HA . . 5.340 4.822 4.780 4.845 . 0 0 "[ . 1 . 2]" 1
282 1 13 PHE HB3 2 39 PRO QB . . 5.420 4.419 4.334 4.486 . 0 0 "[ . 1 . 2]" 1
283 1 13 PHE HB3 2 40 PRO QD . . 4.230 3.842 3.721 3.946 . 0 0 "[ . 1 . 2]" 1
284 1 13 PHE QD 1 14 PRO HD2 . . 4.380 2.205 2.175 2.254 . 0 0 "[ . 1 . 2]" 1
285 1 13 PHE QD 1 14 PRO HD3 . . 4.400 3.065 2.973 3.189 . 0 0 "[ . 1 . 2]" 1
286 1 13 PHE QD 2 39 PRO HA . . 5.220 3.845 3.749 3.935 . 0 0 "[ . 1 . 2]" 1
287 1 13 PHE QD 2 39 PRO QB . . 4.650 2.276 2.197 2.333 . 0 0 "[ . 1 . 2]" 1
288 1 13 PHE QD 2 40 PRO QD . . 5.020 2.559 2.509 2.728 . 0 0 "[ . 1 . 2]" 1
289 1 13 PHE QD 2 40 PRO QG . . 5.290 3.592 3.500 3.676 . 0 0 "[ . 1 . 2]" 1
290 1 13 PHE QE 2 39 PRO HA . . 5.500 5.150 5.026 5.279 . 0 0 "[ . 1 . 2]" 1
291 1 13 PHE QE 2 39 PRO QB . . 4.660 3.113 2.931 3.207 . 0 0 "[ . 1 . 2]" 1
292 1 13 PHE QE 2 40 PRO QD . . 4.870 3.040 2.935 3.179 . 0 0 "[ . 1 . 2]" 1
293 1 13 PHE HZ 2 40 PRO QG . . 4.390 3.030 2.910 3.120 . 0 0 "[ . 1 . 2]" 1
294 1 14 PRO HA 1 15 HIS H . . 3.330 2.311 2.273 2.344 . 0 0 "[ . 1 . 2]" 1
295 1 14 PRO HB2 1 15 HIS H . . 3.920 2.883 2.822 2.923 . 0 0 "[ . 1 . 2]" 1
296 1 14 PRO HB2 1 26 PHE H . . 5.130 5.061 4.933 5.249 0.119 16 0 "[ . 1 . 2]" 1
297 1 14 PRO HB3 1 15 HIS H . . 4.110 3.629 3.587 3.673 . 0 0 "[ . 1 . 2]" 1
298 1 14 PRO HB3 1 26 PHE QD . . 5.500 4.996 4.907 5.102 . 0 0 "[ . 1 . 2]" 1
299 1 14 PRO HB3 1 27 ALA MB . . 3.900 3.214 3.110 3.298 . 0 0 "[ . 1 . 2]" 1
300 1 14 PRO HB3 1 28 GLN H . . 3.990 3.273 3.017 3.489 . 0 0 "[ . 1 . 2]" 1
301 1 14 PRO HD2 1 28 GLN HB2 . . 4.300 3.902 3.793 3.971 . 0 0 "[ . 1 . 2]" 1
302 1 14 PRO HD3 1 27 ALA MB . . 4.740 4.451 4.346 4.552 . 0 0 "[ . 1 . 2]" 1
303 1 14 PRO HD3 1 28 GLN HB2 . . 3.670 2.642 2.531 2.780 . 0 0 "[ . 1 . 2]" 1
304 1 14 PRO QG 1 27 ALA HA . . 4.450 4.063 4.015 4.118 . 0 0 "[ . 1 . 2]" 1
305 1 14 PRO QG 1 28 GLN H . . 4.950 4.247 4.100 4.387 . 0 0 "[ . 1 . 2]" 1
306 1 15 HIS H 1 15 HIS HB2 . . 4.080 3.242 3.128 3.318 . 0 0 "[ . 1 . 2]" 1
307 1 15 HIS H 1 15 HIS HB3 . . 4.080 2.799 2.719 2.850 . 0 0 "[ . 1 . 2]" 1
308 1 15 HIS H 1 25 SER HA . . 4.670 4.219 4.075 4.449 . 0 0 "[ . 1 . 2]" 1
309 1 15 HIS H 1 26 PHE H . . 3.580 2.648 2.572 2.790 . 0 0 "[ . 1 . 2]" 1
310 1 15 HIS H 1 26 PHE QD . . 4.320 3.507 3.378 3.686 . 0 0 "[ . 1 . 2]" 1
311 1 15 HIS H 1 27 ALA H . . 5.500 4.833 4.729 5.009 . 0 0 "[ . 1 . 2]" 1
312 1 15 HIS H 1 27 ALA HA . . 4.880 3.669 3.447 3.820 . 0 0 "[ . 1 . 2]" 1
313 1 15 HIS QB 1 26 PHE H . . 3.850 2.905 2.753 3.084 . 0 0 "[ . 1 . 2]" 1
314 1 15 HIS QB 1 26 PHE QD . . 4.360 3.242 3.153 3.300 . 0 0 "[ . 1 . 2]" 1
315 1 15 HIS QB 1 61 TYR QD . . 3.760 2.548 2.305 2.900 . 0 0 "[ . 1 . 2]" 1
316 1 15 HIS QB 1 61 TYR QE . . 3.750 3.311 2.763 3.805 0.055 19 0 "[ . 1 . 2]" 1
317 1 15 HIS HB2 1 61 TYR QD . . 4.410 2.571 2.322 2.939 . 0 0 "[ . 1 . 2]" 1
318 1 15 HIS HB3 1 61 TYR QD . . 4.410 4.170 3.897 4.430 0.020 19 0 "[ . 1 . 2]" 1
319 1 15 HIS HD2 1 58 PRO QG . . 4.610 3.184 2.907 3.612 . 0 0 "[ . 1 . 2]" 1
320 1 15 HIS HE1 1 17 ALA HA . . 4.500 4.112 3.520 4.715 0.215 5 0 "[ . 1 . 2]" 1
321 1 15 HIS HE1 1 17 ALA MB . . 4.850 4.588 3.974 4.712 . 0 0 "[ . 1 . 2]" 1
322 1 15 HIS HE1 1 23 LEU HA . . 4.710 4.030 3.686 4.412 . 0 0 "[ . 1 . 2]" 1
323 1 15 HIS HE1 1 23 LEU HB2 . . 3.830 3.847 3.698 3.899 0.069 3 0 "[ . 1 . 2]" 1
324 1 15 HIS HE1 1 23 LEU HB3 . . 3.460 2.221 2.150 2.494 . 0 0 "[ . 1 . 2]" 1
325 1 15 HIS HE1 1 23 LEU MD1 . . 4.120 2.531 1.991 2.902 . 0 0 "[ . 1 . 2]" 1
326 1 15 HIS HE1 1 23 LEU QD . . 3.550 2.275 1.985 2.375 . 0 0 "[ . 1 . 2]" 1
327 1 15 HIS HE1 1 23 LEU MD2 . . 4.120 2.780 2.284 3.982 . 0 0 "[ . 1 . 2]" 1
328 1 15 HIS HE1 1 23 LEU HG . . 4.620 4.540 2.614 4.723 0.103 10 0 "[ . 1 . 2]" 1
329 1 15 HIS HE1 1 24 LEU H . . 4.920 4.088 3.731 4.633 . 0 0 "[ . 1 . 2]" 1
330 1 15 HIS HE1 1 43 TRP HZ3 . . 5.310 3.595 3.226 4.109 . 0 0 "[ . 1 . 2]" 1
331 1 15 HIS HE1 1 57 PHE HA . . 4.330 3.498 3.262 4.357 0.027 18 0 "[ . 1 . 2]" 1
332 1 15 HIS HE1 1 57 PHE HB2 . . 5.220 4.364 4.016 5.128 . 0 0 "[ . 1 . 2]" 1
333 1 15 HIS HE1 1 58 PRO HD3 . . 5.400 3.568 3.393 4.105 . 0 0 "[ . 1 . 2]" 1
334 1 16 THR H 1 16 THR HB . . 4.100 2.966 2.651 3.374 . 0 0 "[ . 1 . 2]" 1
335 1 16 THR H 1 16 THR MG . . 4.350 3.449 2.444 4.007 . 0 0 "[ . 1 . 2]" 1
336 1 16 THR HA 1 16 THR MG . . 3.310 2.699 2.336 3.261 . 0 0 "[ . 1 . 2]" 1
337 1 16 THR HA 1 17 ALA H . . 3.550 2.234 2.150 2.426 . 0 0 "[ . 1 . 2]" 1
338 1 16 THR HA 1 17 ALA MB . . 4.100 3.922 3.808 4.004 . 0 0 "[ . 1 . 2]" 1
339 1 16 THR HA 1 25 SER QB . . 4.160 2.712 2.253 4.374 0.214 7 0 "[ . 1 . 2]" 1
340 1 16 THR MG 1 17 ALA H . . 4.500 3.006 2.480 3.701 . 0 0 "[ . 1 . 2]" 1
341 1 16 THR MG 1 18 GLY H . . 4.330 2.962 1.950 4.348 0.018 5 0 "[ . 1 . 2]" 1
342 1 16 THR MG 1 18 GLY HA2 . . 4.250 3.528 2.898 4.224 . 0 0 "[ . 1 . 2]" 1
343 1 16 THR MG 1 18 GLY QA . . 3.660 3.228 2.765 3.662 0.002 12 0 "[ . 1 . 2]" 1
344 1 16 THR MG 1 18 GLY HA3 . . 4.250 3.822 3.314 4.259 0.009 2 0 "[ . 1 . 2]" 1
345 1 17 ALA H 1 17 ALA MB . . 3.600 2.225 2.140 2.531 . 0 0 "[ . 1 . 2]" 1
346 1 17 ALA HA 1 23 LEU H . . 5.210 4.971 4.708 5.423 0.213 5 0 "[ . 1 . 2]" 1
347 1 17 ALA HA 1 23 LEU HB2 . . 3.430 2.699 2.387 3.279 . 0 0 "[ . 1 . 2]" 1
348 1 17 ALA HA 1 23 LEU HB3 . . 3.730 3.222 2.819 3.802 0.072 16 0 "[ . 1 . 2]" 1
349 1 17 ALA HA 1 23 LEU QD . . 3.940 2.383 2.103 3.550 . 0 0 "[ . 1 . 2]" 1
350 1 17 ALA HA 1 23 LEU HG . . 4.340 4.150 2.707 4.516 0.176 7 0 "[ . 1 . 2]" 1
351 1 17 ALA MB 1 18 GLY H . . 4.350 3.098 2.397 3.754 . 0 0 "[ . 1 . 2]" 1
352 1 17 ALA MB 1 20 ASN H . . 5.130 3.365 2.827 4.215 . 0 0 "[ . 1 . 2]" 1
353 1 17 ALA MB 1 20 ASN HB2 . . 4.580 3.356 2.334 4.621 0.041 12 0 "[ . 1 . 2]" 1
354 1 17 ALA MB 1 20 ASN QB . . 3.970 2.692 2.277 3.704 . 0 0 "[ . 1 . 2]" 1
355 1 17 ALA MB 1 20 ASN HB3 . . 4.580 3.314 2.308 4.631 0.051 7 0 "[ . 1 . 2]" 1
356 1 17 ALA MB 1 21 LYS HA . . 4.010 3.923 3.585 4.447 0.437 7 0 "[ . 1 . 2]" 1
357 1 17 ALA MB 1 23 LEU H . . 3.690 3.351 3.125 3.537 . 0 0 "[ . 1 . 2]" 1
358 1 17 ALA MB 1 23 LEU HA . . 4.940 4.589 4.317 4.689 . 0 0 "[ . 1 . 2]" 1
359 1 17 ALA MB 1 23 LEU HB2 . . 3.220 2.249 2.172 2.296 . 0 0 "[ . 1 . 2]" 1
360 1 17 ALA MB 1 23 LEU HB3 . . 3.440 3.216 2.837 3.387 . 0 0 "[ . 1 . 2]" 1
361 1 17 ALA MB 1 23 LEU QD . . 4.580 3.069 2.873 3.682 . 0 0 "[ . 1 . 2]" 1
362 1 17 ALA MB 1 23 LEU HG . . 4.110 3.940 3.256 4.138 0.028 7 0 "[ . 1 . 2]" 1
363 1 17 ALA MB 1 25 SER H . . 4.860 4.622 3.901 4.984 0.124 18 0 "[ . 1 . 2]" 1
364 1 17 ALA MB 1 25 SER QB . . 4.170 3.726 2.655 4.204 0.034 8 0 "[ . 1 . 2]" 1
365 1 20 ASN H 1 23 LEU QD . . 5.000 4.342 3.799 5.533 0.533 5 1 "[ + 1 . 2]" 1
366 1 20 ASN QB 1 23 LEU H . . 4.120 3.657 3.418 4.072 . 0 0 "[ . 1 . 2]" 1
367 1 20 ASN QB 1 23 LEU HB2 . . 3.930 3.064 2.713 3.322 . 0 0 "[ . 1 . 2]" 1
368 1 20 ASN QB 1 23 LEU QD . . 3.090 2.281 1.957 2.867 . 0 0 "[ . 1 . 2]" 1
369 1 20 ASN QB 1 23 LEU HG . . 3.620 2.603 2.164 2.715 . 0 0 "[ . 1 . 2]" 1
370 1 20 ASN QB 2 34 TRP HH2 . . 4.890 4.113 2.732 4.826 . 0 0 "[ . 1 . 2]" 1
371 1 20 ASN QB 2 34 TRP HZ2 . . 5.060 4.056 2.496 4.845 . 0 0 "[ . 1 . 2]" 1
372 1 20 ASN HB2 1 23 LEU HB2 . . 4.620 3.921 2.829 4.716 0.096 3 0 "[ . 1 . 2]" 1
373 1 20 ASN HB2 1 23 LEU MD1 . . 4.780 2.759 2.361 4.197 . 0 0 "[ . 1 . 2]" 1
374 1 20 ASN HB2 1 23 LEU MD2 . . 4.780 4.542 2.384 4.851 0.071 6 0 "[ . 1 . 2]" 1
375 1 20 ASN HB2 1 23 LEU HG . . 4.250 3.418 2.679 3.821 . 0 0 "[ . 1 . 2]" 1
376 1 20 ASN HB3 1 23 LEU HB2 . . 4.620 3.435 2.883 4.433 . 0 0 "[ . 1 . 2]" 1
377 1 20 ASN HB3 1 23 LEU MD1 . . 4.780 2.797 2.262 4.047 . 0 0 "[ . 1 . 2]" 1
378 1 20 ASN HB3 1 23 LEU MD2 . . 4.780 4.096 2.091 4.378 . 0 0 "[ . 1 . 2]" 1
379 1 20 ASN HB3 1 23 LEU HG . . 4.250 2.730 2.284 3.234 . 0 0 "[ . 1 . 2]" 1
380 1 21 LYS HA 1 21 LYS QD . . 3.820 3.354 2.119 3.915 0.095 18 0 "[ . 1 . 2]" 1
381 1 21 LYS HA 1 21 LYS QE . . 4.940 4.279 3.209 4.755 . 0 0 "[ . 1 . 2]" 1
382 1 21 LYS HA 1 21 LYS QG . . 3.420 2.534 2.194 3.397 . 0 0 "[ . 1 . 2]" 1
383 1 21 LYS HA 1 23 LEU H . . 4.180 3.824 3.593 4.133 . 0 0 "[ . 1 . 2]" 1
384 1 21 LYS QB 1 22 THR MG . . 4.140 3.111 2.756 4.037 . 0 0 "[ . 1 . 2]" 1
385 1 21 LYS QE 1 21 LYS QG . . 3.490 2.440 2.077 2.881 . 0 0 "[ . 1 . 2]" 1
386 1 21 LYS QE 1 22 THR MG . . 4.380 4.136 2.806 4.452 0.072 16 0 "[ . 1 . 2]" 1
387 1 22 THR H 1 22 THR MG . . 4.330 2.656 2.380 3.091 . 0 0 "[ . 1 . 2]" 1
388 1 22 THR H 1 23 LEU H . . 3.610 2.755 2.346 3.089 . 0 0 "[ . 1 . 2]" 1
389 1 22 THR HA 1 22 THR MG . . 3.130 2.333 2.273 2.435 . 0 0 "[ . 1 . 2]" 1
390 1 22 THR HB 1 56 TRP HD1 . . 3.790 2.649 2.487 3.228 . 0 0 "[ . 1 . 2]" 1
391 1 22 THR HB 1 56 TRP HE1 . . 4.960 4.472 4.285 4.857 . 0 0 "[ . 1 . 2]" 1
392 1 22 THR HB 2 29 PRO HB2 . . 4.140 3.547 3.038 3.693 . 0 0 "[ . 1 . 2]" 1
393 1 22 THR HB 2 29 PRO HB3 . . 5.030 4.667 3.960 4.805 . 0 0 "[ . 1 . 2]" 1
394 1 22 THR HB 2 29 PRO HG2 . . 4.100 3.583 3.021 3.777 . 0 0 "[ . 1 . 2]" 1
395 1 22 THR HB 2 29 PRO HG3 . . 4.320 3.724 2.963 4.076 . 0 0 "[ . 1 . 2]" 1
396 1 22 THR MG 1 23 LEU H . . 4.400 4.412 4.397 4.441 0.041 18 0 "[ . 1 . 2]" 1
397 1 22 THR MG 1 56 TRP HB2 . . 5.420 5.399 5.106 5.496 0.076 18 0 "[ . 1 . 2]" 1
398 1 22 THR MG 1 56 TRP HD1 . . 4.110 3.910 3.606 4.090 . 0 0 "[ . 1 . 2]" 1
399 1 22 THR MG 2 29 PRO HB2 . . 3.580 2.690 2.395 2.832 . 0 0 "[ . 1 . 2]" 1
400 1 22 THR MG 2 29 PRO HB3 . . 3.600 3.431 3.143 3.605 0.005 2 0 "[ . 1 . 2]" 1
401 1 22 THR MG 2 29 PRO HG2 . . 4.240 3.911 3.599 4.004 . 0 0 "[ . 1 . 2]" 1
402 1 22 THR MG 2 29 PRO HG3 . . 4.080 3.564 3.285 3.715 . 0 0 "[ . 1 . 2]" 1
403 1 22 THR MG 2 30 PRO QD . . 4.140 3.581 3.326 3.711 . 0 0 "[ . 1 . 2]" 1
404 1 23 LEU H 1 23 LEU HB2 . . 3.310 2.470 2.094 2.542 . 0 0 "[ . 1 . 2]" 1
405 1 23 LEU H 1 23 LEU HB3 . . 3.880 3.668 3.399 3.713 . 0 0 "[ . 1 . 2]" 1
406 1 23 LEU H 1 23 LEU MD1 . . 4.220 4.114 3.957 4.483 0.263 5 0 "[ . 1 . 2]" 1
407 1 23 LEU H 1 23 LEU MD2 . . 4.220 3.722 2.459 4.040 . 0 0 "[ . 1 . 2]" 1
408 1 23 LEU H 1 23 LEU HG . . 4.450 3.143 2.947 3.841 . 0 0 "[ . 1 . 2]" 1
409 1 23 LEU H 1 24 LEU HA . . 5.040 5.090 5.041 5.274 0.234 18 0 "[ . 1 . 2]" 1
410 1 23 LEU H 1 55 GLY HA3 . . 5.500 4.612 4.504 4.761 . 0 0 "[ . 1 . 2]" 1
411 1 23 LEU HA 1 23 LEU MD1 . . 4.190 3.722 2.251 3.872 . 0 0 "[ . 1 . 2]" 1
412 1 23 LEU HA 1 23 LEU QD . . 3.210 2.105 2.068 2.168 . 0 0 "[ . 1 . 2]" 1
413 1 23 LEU HA 1 23 LEU MD2 . . 4.190 2.138 2.076 2.571 . 0 0 "[ . 1 . 2]" 1
414 1 23 LEU HA 1 23 LEU HG . . 4.070 3.196 2.989 3.704 . 0 0 "[ . 1 . 2]" 1
415 1 23 LEU HA 1 24 LEU H . . 3.440 2.158 2.124 2.233 . 0 0 "[ . 1 . 2]" 1
416 1 23 LEU HA 1 55 GLY HA3 . . 4.200 3.583 3.461 3.711 . 0 0 "[ . 1 . 2]" 1
417 1 23 LEU HA 1 56 TRP H . . 3.700 3.168 2.902 3.375 . 0 0 "[ . 1 . 2]" 1
418 1 23 LEU HA 1 56 TRP HB2 . . 4.730 3.432 3.131 3.624 . 0 0 "[ . 1 . 2]" 1
419 1 23 LEU HA 1 56 TRP HB3 . . 5.000 4.660 4.369 4.800 . 0 0 "[ . 1 . 2]" 1
420 1 23 LEU HA 1 57 PHE H . . 5.500 5.339 5.260 5.385 . 0 0 "[ . 1 . 2]" 1
421 1 23 LEU HB2 1 24 LEU H . . 4.570 4.288 4.106 4.436 . 0 0 "[ . 1 . 2]" 1
422 1 23 LEU HB3 1 24 LEU H . . 4.020 3.296 3.067 3.550 . 0 0 "[ . 1 . 2]" 1
423 1 23 LEU QD 1 43 TRP HE3 . . 4.370 3.291 3.136 3.509 . 0 0 "[ . 1 . 2]" 1
424 1 23 LEU QD 1 43 TRP HH2 . . 3.720 2.775 2.450 2.908 . 0 0 "[ . 1 . 2]" 1
425 1 23 LEU QD 1 43 TRP HZ3 . . 3.550 2.172 2.050 2.261 . 0 0 "[ . 1 . 2]" 1
426 1 23 LEU QD 1 56 TRP H . . 4.270 3.605 3.420 3.887 . 0 0 "[ . 1 . 2]" 1
427 1 23 LEU QD 1 56 TRP HA . . 4.840 4.459 4.351 4.608 . 0 0 "[ . 1 . 2]" 1
428 1 23 LEU QD 1 56 TRP HB2 . . 3.820 2.462 2.281 3.015 . 0 0 "[ . 1 . 2]" 1
429 1 23 LEU QD 1 56 TRP HB3 . . 4.070 3.290 3.064 3.567 . 0 0 "[ . 1 . 2]" 1
430 1 23 LEU QD 1 56 TRP HD1 . . 5.130 4.170 3.780 4.520 . 0 0 "[ . 1 . 2]" 1
431 1 23 LEU QD 1 57 PHE H . . 4.990 4.377 4.274 4.503 . 0 0 "[ . 1 . 2]" 1
432 1 23 LEU QD 1 57 PHE HA . . 3.970 2.992 2.641 3.243 . 0 0 "[ . 1 . 2]" 1
433 1 23 LEU QD 1 57 PHE HB2 . . 5.420 4.665 4.076 4.912 . 0 0 "[ . 1 . 2]" 1
434 1 23 LEU QD 1 57 PHE HB3 . . 5.090 4.356 3.882 4.586 . 0 0 "[ . 1 . 2]" 1
435 1 23 LEU QD 2 32 PRO HG3 . . 5.250 3.383 3.097 3.597 . 0 0 "[ . 1 . 2]" 1
436 1 23 LEU QD 2 34 TRP HE1 . . 4.300 3.971 3.786 4.086 . 0 0 "[ . 1 . 2]" 1
437 1 23 LEU QD 2 34 TRP HH2 . . 4.470 4.225 3.253 4.317 . 0 0 "[ . 1 . 2]" 1
438 1 23 LEU QD 2 34 TRP HZ2 . . 3.340 2.934 2.429 3.100 . 0 0 "[ . 1 . 2]" 1
439 1 23 LEU MD1 1 43 TRP HH2 . . 4.410 3.226 2.492 3.464 . 0 0 "[ . 1 . 2]" 1
440 1 23 LEU MD1 1 43 TRP HZ3 . . 4.510 3.288 2.058 3.669 . 0 0 "[ . 1 . 2]" 1
441 1 23 LEU MD1 2 34 TRP HE1 . . 5.110 4.266 3.960 4.457 . 0 0 "[ . 1 . 2]" 1
442 1 23 LEU MD1 2 34 TRP HZ2 . . 4.050 3.108 2.959 3.745 . 0 0 "[ . 1 . 2]" 1
443 1 23 LEU MD2 1 43 TRP HH2 . . 4.410 3.112 2.904 3.755 . 0 0 "[ . 1 . 2]" 1
444 1 23 LEU MD2 1 43 TRP HZ3 . . 4.510 2.346 2.135 3.907 . 0 0 "[ . 1 . 2]" 1
445 1 23 LEU MD2 2 34 TRP HE1 . . 5.110 4.746 4.504 4.834 . 0 0 "[ . 1 . 2]" 1
446 1 23 LEU MD2 2 34 TRP HZ2 . . 4.050 3.842 2.460 4.054 0.004 9 0 "[ . 1 . 2]" 1
447 1 23 LEU HG 2 34 TRP HH2 . . 5.500 5.477 5.272 5.552 0.052 18 0 "[ . 1 . 2]" 1
448 1 23 LEU HG 2 34 TRP HZ2 . . 4.720 4.669 4.079 4.750 0.030 2 0 "[ . 1 . 2]" 1
449 1 24 LEU H 1 24 LEU HB2 . . 3.690 2.720 2.651 2.830 . 0 0 "[ . 1 . 2]" 1
450 1 24 LEU H 1 24 LEU HB3 . . 3.790 2.440 2.401 2.502 . 0 0 "[ . 1 . 2]" 1
451 1 24 LEU H 1 24 LEU MD2 . . 4.850 4.350 4.312 4.433 . 0 0 "[ . 1 . 2]" 1
452 1 24 LEU H 1 55 GLY HA3 . . 4.390 3.089 2.942 3.223 . 0 0 "[ . 1 . 2]" 1
453 1 24 LEU H 1 56 TRP H . . 4.510 3.758 3.655 3.930 . 0 0 "[ . 1 . 2]" 1
454 1 24 LEU HA 1 24 LEU MD1 . . 2.920 2.171 2.144 2.217 . 0 0 "[ . 1 . 2]" 1
455 1 24 LEU HA 1 24 LEU MD2 . . 4.140 3.831 3.817 3.851 . 0 0 "[ . 1 . 2]" 1
456 1 24 LEU HA 1 24 LEU HG . . 4.050 3.352 3.302 3.396 . 0 0 "[ . 1 . 2]" 1
457 1 24 LEU HA 1 25 SER H . . 3.050 2.185 2.158 2.264 . 0 0 "[ . 1 . 2]" 1
458 1 24 LEU HA 1 53 ALA MB . . 4.130 3.995 3.794 4.178 0.048 7 0 "[ . 1 . 2]" 1
459 1 24 LEU HA 1 55 GLY HA3 . . 4.120 3.698 3.457 3.850 . 0 0 "[ . 1 . 2]" 1
460 1 24 LEU HB2 1 24 LEU MD2 . . 3.590 2.341 2.326 2.357 . 0 0 "[ . 1 . 2]" 1
461 1 24 LEU HB2 1 26 PHE QE . . 5.370 5.284 5.124 5.380 0.010 14 0 "[ . 1 . 2]" 1
462 1 24 LEU HB2 1 54 ARG HA . . 4.000 3.822 3.759 3.897 . 0 0 "[ . 1 . 2]" 1
463 1 24 LEU HB2 1 54 ARG HB3 . . 5.500 5.466 5.341 5.552 0.052 14 0 "[ . 1 . 2]" 1
464 1 24 LEU HB2 1 55 GLY H . . 3.970 3.187 2.964 3.341 . 0 0 "[ . 1 . 2]" 1
465 1 24 LEU HB2 1 55 GLY HA2 . . 4.160 4.126 4.036 4.232 0.072 4 0 "[ . 1 . 2]" 1
466 1 24 LEU HB2 1 55 GLY HA3 . . 4.140 2.702 2.598 2.798 . 0 0 "[ . 1 . 2]" 1
467 1 24 LEU HB2 1 56 TRP H . . 4.910 4.650 4.551 4.760 . 0 0 "[ . 1 . 2]" 1
468 1 24 LEU HB2 1 57 PHE HB3 . . 4.820 3.931 3.801 4.024 . 0 0 "[ . 1 . 2]" 1
469 1 24 LEU HB3 1 24 LEU MD2 . . 3.510 2.442 2.410 2.471 . 0 0 "[ . 1 . 2]" 1
470 1 24 LEU HB3 1 26 PHE QE . . 4.340 3.584 3.411 3.693 . 0 0 "[ . 1 . 2]" 1
471 1 24 LEU HB3 1 55 GLY H . . 4.790 4.503 4.319 4.628 . 0 0 "[ . 1 . 2]" 1
472 1 24 LEU HB3 1 55 GLY HA3 . . 4.260 3.995 3.884 4.088 . 0 0 "[ . 1 . 2]" 1
473 1 24 LEU HB3 1 57 PHE HB2 . . 4.690 3.881 3.759 3.986 . 0 0 "[ . 1 . 2]" 1
474 1 24 LEU HB3 1 57 PHE HB3 . . 4.140 2.386 2.292 2.472 . 0 0 "[ . 1 . 2]" 1
475 1 24 LEU MD1 1 25 SER H . . 3.100 2.181 1.896 2.429 . 0 0 "[ . 1 . 2]" 1
476 1 24 LEU MD1 1 25 SER HA . . 4.480 4.376 4.314 4.473 . 0 0 "[ . 1 . 2]" 1
477 1 24 LEU MD1 1 47 GLU HA . . 4.800 4.300 4.140 4.480 . 0 0 "[ . 1 . 2]" 1
478 1 24 LEU MD1 1 48 HIS H . . 3.900 3.331 3.220 3.428 . 0 0 "[ . 1 . 2]" 1
479 1 24 LEU MD1 1 48 HIS HA . . 4.610 4.504 4.360 4.622 0.012 3 0 "[ . 1 . 2]" 1
480 1 24 LEU MD1 1 48 HIS HB2 . . 3.340 2.234 2.149 2.329 . 0 0 "[ . 1 . 2]" 1
481 1 24 LEU MD1 1 48 HIS HB3 . . 3.810 3.431 3.272 3.588 . 0 0 "[ . 1 . 2]" 1
482 1 24 LEU MD1 1 48 HIS HD2 . . 3.700 3.026 2.621 3.712 0.012 7 0 "[ . 1 . 2]" 1
483 1 24 LEU MD1 1 53 ALA HA . . 4.150 3.986 3.858 4.088 . 0 0 "[ . 1 . 2]" 1
484 1 24 LEU MD1 1 53 ALA MB . . 2.860 2.068 1.992 2.165 . 0 0 "[ . 1 . 2]" 1
485 1 24 LEU MD1 1 54 ARG H . . 4.370 3.499 3.236 3.704 . 0 0 "[ . 1 . 2]" 1
486 1 24 LEU MD1 1 54 ARG HA . . 3.550 3.345 3.195 3.488 . 0 0 "[ . 1 . 2]" 1
487 1 24 LEU MD1 1 54 ARG HB2 . . 5.250 5.151 4.980 5.299 0.049 14 0 "[ . 1 . 2]" 1
488 1 24 LEU MD1 1 54 ARG HB3 . . 5.500 5.280 5.131 5.412 . 0 0 "[ . 1 . 2]" 1
489 1 24 LEU MD2 1 25 SER H . . 5.280 4.664 4.333 4.864 . 0 0 "[ . 1 . 2]" 1
490 1 24 LEU MD2 1 26 PHE HB3 . . 5.500 4.476 4.297 4.636 . 0 0 "[ . 1 . 2]" 1
491 1 24 LEU MD2 1 26 PHE QD . . 4.050 3.590 3.388 3.771 . 0 0 "[ . 1 . 2]" 1
492 1 24 LEU MD2 1 26 PHE QE . . 4.240 4.105 3.900 4.258 0.018 5 0 "[ . 1 . 2]" 1
493 1 24 LEU MD2 1 32 ILE MD . . 3.040 2.351 2.208 2.491 . 0 0 "[ . 1 . 2]" 1
494 1 24 LEU MD2 1 32 ILE MG . . 3.270 2.531 2.445 2.669 . 0 0 "[ . 1 . 2]" 1
495 1 24 LEU MD2 1 46 GLY H . . 4.560 3.564 3.434 3.649 . 0 0 "[ . 1 . 2]" 1
496 1 24 LEU MD2 1 46 GLY HA3 . . 4.870 3.728 3.595 3.780 . 0 0 "[ . 1 . 2]" 1
497 1 24 LEU MD2 1 47 GLU HA . . 4.170 3.058 2.864 3.214 . 0 0 "[ . 1 . 2]" 1
498 1 24 LEU MD2 1 48 HIS HB2 . . 3.870 2.305 2.173 2.508 . 0 0 "[ . 1 . 2]" 1
499 1 24 LEU MD2 1 48 HIS HB3 . . 4.210 3.847 3.722 4.037 . 0 0 "[ . 1 . 2]" 1
500 1 24 LEU MD2 1 48 HIS HD2 . . 4.190 2.996 2.788 3.212 . 0 0 "[ . 1 . 2]" 1
501 1 24 LEU MD2 1 52 LYS HA . . 5.500 5.617 5.559 5.651 0.151 12 0 "[ . 1 . 2]" 1
502 1 24 LEU MD2 1 53 ALA MB . . 4.570 3.655 3.584 3.778 . 0 0 "[ . 1 . 2]" 1
503 1 24 LEU MD2 1 54 ARG H . . 5.500 4.418 4.235 4.629 . 0 0 "[ . 1 . 2]" 1
504 1 24 LEU MD2 1 54 ARG HA . . 3.810 2.571 2.433 2.732 . 0 0 "[ . 1 . 2]" 1
505 1 24 LEU MD2 1 54 ARG HB2 . . 5.500 5.221 5.091 5.382 . 0 0 "[ . 1 . 2]" 1
506 1 24 LEU MD2 1 54 ARG HB3 . . 5.500 4.710 4.576 4.839 . 0 0 "[ . 1 . 2]" 1
507 1 24 LEU MD2 1 55 GLY H . . 4.260 3.141 3.018 3.280 . 0 0 "[ . 1 . 2]" 1
508 1 24 LEU MD2 1 57 PHE HB3 . . 5.170 3.836 3.679 3.945 . 0 0 "[ . 1 . 2]" 1
509 1 24 LEU MD2 1 57 PHE QD . . 4.560 3.292 3.179 3.490 . 0 0 "[ . 1 . 2]" 1
510 1 24 LEU HG 1 25 SER H . . 3.770 3.528 3.050 3.774 0.004 12 0 "[ . 1 . 2]" 1
511 1 24 LEU HG 1 25 SER HA . . 4.440 4.450 4.258 4.528 0.088 12 0 "[ . 1 . 2]" 1
512 1 24 LEU HG 1 25 SER QB . . 5.340 5.252 4.947 5.422 0.082 19 0 "[ . 1 . 2]" 1
513 1 24 LEU HG 1 26 PHE HB2 . . 5.500 5.357 5.240 5.460 . 0 0 "[ . 1 . 2]" 1
514 1 24 LEU HG 1 26 PHE HB3 . . 4.760 3.720 3.584 3.848 . 0 0 "[ . 1 . 2]" 1
515 1 24 LEU HG 1 26 PHE QD . . 4.290 2.319 2.239 2.393 . 0 0 "[ . 1 . 2]" 1
516 1 24 LEU HG 1 32 ILE MD . . 4.180 3.069 2.933 3.266 . 0 0 "[ . 1 . 2]" 1
517 1 24 LEU HG 1 32 ILE MG . . 5.120 4.418 4.295 4.590 . 0 0 "[ . 1 . 2]" 1
518 1 24 LEU HG 1 48 HIS HB2 . . 4.430 3.850 3.706 4.003 . 0 0 "[ . 1 . 2]" 1
519 1 24 LEU HG 1 48 HIS HD2 . . 4.580 3.163 2.901 3.715 . 0 0 "[ . 1 . 2]" 1
520 1 25 SER H 1 25 SER HB2 . . 3.820 3.177 2.452 3.784 . 0 0 "[ . 1 . 2]" 1
521 1 25 SER H 1 25 SER QB . . 3.220 2.647 2.327 3.056 . 0 0 "[ . 1 . 2]" 1
522 1 25 SER H 1 25 SER HB3 . . 3.820 3.153 2.430 3.731 . 0 0 "[ . 1 . 2]" 1
523 1 25 SER H 1 53 ALA MB . . 5.120 4.192 3.898 4.443 . 0 0 "[ . 1 . 2]" 1
524 1 25 SER QB 1 26 PHE H . . 3.490 2.753 2.557 3.518 0.028 9 0 "[ . 1 . 2]" 1
525 1 25 SER HB2 1 26 PHE H . . 4.140 3.237 2.599 3.979 . 0 0 "[ . 1 . 2]" 1
526 1 25 SER HB3 1 26 PHE H . . 4.140 3.480 2.735 3.962 . 0 0 "[ . 1 . 2]" 1
527 1 26 PHE HA 1 27 ALA H . . 3.360 2.545 2.515 2.563 . 0 0 "[ . 1 . 2]" 1
528 1 26 PHE HA 1 27 ALA MB . . 4.050 3.970 3.888 4.007 . 0 0 "[ . 1 . 2]" 1
529 1 26 PHE HB2 1 27 ALA H . . 3.580 2.118 2.061 2.152 . 0 0 "[ . 1 . 2]" 1
530 1 26 PHE HB2 1 27 ALA MB . . 4.300 4.250 4.225 4.311 0.011 7 0 "[ . 1 . 2]" 1
531 1 26 PHE HB2 1 30 ASP HB2 . . 4.260 2.831 2.499 3.084 . 0 0 "[ . 1 . 2]" 1
532 1 26 PHE HB2 1 30 ASP QB . . 3.690 2.719 2.419 2.956 . 0 0 "[ . 1 . 2]" 1
533 1 26 PHE HB2 1 30 ASP HB3 . . 4.260 3.519 3.231 3.795 . 0 0 "[ . 1 . 2]" 1
534 1 26 PHE HB2 1 32 ILE MD . . 3.850 3.323 3.200 3.569 . 0 0 "[ . 1 . 2]" 1
535 1 26 PHE HB2 1 48 HIS HD2 . . 3.740 3.745 3.661 3.999 0.259 17 0 "[ . 1 . 2]" 1
536 1 26 PHE HB3 1 27 ALA H . . 3.880 3.493 3.433 3.528 . 0 0 "[ . 1 . 2]" 1
537 1 26 PHE HB3 1 30 ASP HB2 . . 4.620 4.253 3.931 4.474 . 0 0 "[ . 1 . 2]" 1
538 1 26 PHE HB3 1 30 ASP QB . . 4.050 3.839 3.539 4.054 0.004 20 0 "[ . 1 . 2]" 1
539 1 26 PHE HB3 1 30 ASP HB3 . . 4.620 4.372 4.018 4.637 0.017 20 0 "[ . 1 . 2]" 1
540 1 26 PHE HB3 1 32 ILE MD . . 3.860 2.875 2.728 3.120 . 0 0 "[ . 1 . 2]" 1
541 1 26 PHE HB3 1 48 HIS HD2 . . 3.540 2.439 2.236 2.784 . 0 0 "[ . 1 . 2]" 1
542 1 26 PHE QD 1 32 ILE MD . . 3.760 2.650 2.568 2.785 . 0 0 "[ . 1 . 2]" 1
543 1 26 PHE QD 1 32 ILE MG . . 5.120 4.847 4.709 5.003 . 0 0 "[ . 1 . 2]" 1
544 1 26 PHE QE 1 27 ALA H . . 5.500 5.547 5.532 5.563 0.063 10 0 "[ . 1 . 2]" 1
545 1 26 PHE QE 1 57 PHE HB2 . . 4.110 2.271 2.173 2.374 . 0 0 "[ . 1 . 2]" 1
546 1 26 PHE QE 1 57 PHE HB3 . . 3.690 2.816 2.721 2.922 . 0 0 "[ . 1 . 2]" 1
547 1 26 PHE QE 1 58 PRO HD2 . . 4.950 3.717 3.504 3.876 . 0 0 "[ . 1 . 2]" 1
548 1 26 PHE QE 1 62 THR MG . . 5.010 3.737 3.525 4.001 . 0 0 "[ . 1 . 2]" 1
549 1 26 PHE HZ 1 58 PRO HD2 . . 4.440 3.454 3.302 3.620 . 0 0 "[ . 1 . 2]" 1
550 1 27 ALA H 1 27 ALA MB . . 2.920 2.488 2.445 2.532 . 0 0 "[ . 1 . 2]" 1
551 1 27 ALA H 1 30 ASP HB2 . . 4.850 3.067 2.785 3.249 . 0 0 "[ . 1 . 2]" 1
552 1 27 ALA H 1 30 ASP QB . . 4.200 2.975 2.720 3.138 . 0 0 "[ . 1 . 2]" 1
553 1 27 ALA H 1 30 ASP HB3 . . 4.850 4.010 3.808 4.186 . 0 0 "[ . 1 . 2]" 1
554 1 27 ALA H 1 48 HIS HD2 . . 5.500 5.401 5.205 5.547 0.047 13 0 "[ . 1 . 2]" 1
555 1 27 ALA HA 1 28 GLN H . . 3.280 2.531 2.324 2.595 . 0 0 "[ . 1 . 2]" 1
556 1 27 ALA MB 1 28 GLN H . . 2.840 2.288 2.208 2.618 . 0 0 "[ . 1 . 2]" 1
557 1 27 ALA MB 1 28 GLN HB3 . . 4.130 3.911 3.817 4.070 . 0 0 "[ . 1 . 2]" 1
558 1 27 ALA MB 1 29 GLY HA3 . . 5.500 5.485 5.451 5.525 0.025 7 0 "[ . 1 . 2]" 1
559 1 27 ALA MB 1 30 ASP H . . 5.160 4.372 4.150 4.664 . 0 0 "[ . 1 . 2]" 1
560 1 27 ALA MB 1 30 ASP QB . . 4.250 3.923 3.786 4.049 . 0 0 "[ . 1 . 2]" 1
561 1 28 GLN H 1 28 GLN HB2 . . 3.310 2.556 2.448 2.608 . 0 0 "[ . 1 . 2]" 1
562 1 28 GLN H 1 28 GLN HB3 . . 3.200 2.382 2.329 2.473 . 0 0 "[ . 1 . 2]" 1
563 1 28 GLN H 1 28 GLN HG2 . . 4.800 4.413 4.381 4.472 . 0 0 "[ . 1 . 2]" 1
564 1 28 GLN H 1 28 GLN QG . . 4.050 3.969 3.957 3.986 . 0 0 "[ . 1 . 2]" 1
565 1 28 GLN H 1 28 GLN HG3 . . 4.800 4.502 4.457 4.531 . 0 0 "[ . 1 . 2]" 1
566 1 28 GLN HA 1 28 GLN HG2 . . 3.700 3.249 3.206 3.275 . 0 0 "[ . 1 . 2]" 1
567 1 28 GLN HA 1 28 GLN QG . . 3.190 2.502 2.448 2.560 . 0 0 "[ . 1 . 2]" 1
568 1 28 GLN HA 1 28 GLN HG3 . . 3.700 2.601 2.540 2.677 . 0 0 "[ . 1 . 2]" 1
569 1 28 GLN HA 1 29 GLY H . . 3.040 2.238 2.152 2.267 . 0 0 "[ . 1 . 2]" 1
570 1 28 GLN HA 1 30 ASP H . . 3.840 3.574 3.498 3.658 . 0 0 "[ . 1 . 2]" 1
571 1 28 GLN HA 1 30 ASP QB . . 4.710 4.740 4.718 4.795 0.085 7 0 "[ . 1 . 2]" 1
572 1 28 GLN HB2 1 29 GLY H . . 4.270 4.196 4.167 4.242 . 0 0 "[ . 1 . 2]" 1
573 1 28 GLN HB3 1 29 GLY H . . 4.400 4.186 4.154 4.284 . 0 0 "[ . 1 . 2]" 1
574 1 28 GLN QG 1 29 GLY HA2 . . 3.990 3.709 3.632 3.774 . 0 0 "[ . 1 . 2]" 1
575 1 28 GLN QG 1 29 GLY HA3 . . 4.000 3.393 3.280 3.592 . 0 0 "[ . 1 . 2]" 1
576 1 28 GLN HG2 1 29 GLY H . . 4.030 3.032 2.973 3.252 . 0 0 "[ . 1 . 2]" 1
577 1 28 GLN HG2 1 29 GLY HA2 . . 4.550 3.952 3.879 4.028 . 0 0 "[ . 1 . 2]" 1
578 1 28 GLN HG2 1 29 GLY HA3 . . 4.550 3.491 3.364 3.710 . 0 0 "[ . 1 . 2]" 1
579 1 28 GLN HG3 1 29 GLY H . . 4.030 2.886 2.754 3.075 . 0 0 "[ . 1 . 2]" 1
580 1 28 GLN HG3 1 29 GLY HA2 . . 4.550 4.492 4.376 4.571 0.021 2 0 "[ . 1 . 2]" 1
581 1 28 GLN HG3 1 29 GLY HA3 . . 4.550 4.621 4.509 4.796 0.246 17 0 "[ . 1 . 2]" 1
582 1 29 GLY H 1 30 ASP H . . 3.420 2.660 2.520 2.711 . 0 0 "[ . 1 . 2]" 1
583 1 29 GLY H 1 30 ASP QB . . 4.700 4.563 4.454 4.637 . 0 0 "[ . 1 . 2]" 1
584 1 30 ASP H 1 30 ASP HB2 . . 3.780 2.302 2.238 2.345 . 0 0 "[ . 1 . 2]" 1
585 1 30 ASP H 1 30 ASP QB . . 3.260 2.275 2.215 2.316 . 0 0 "[ . 1 . 2]" 1
586 1 30 ASP H 1 30 ASP HB3 . . 3.780 3.561 3.523 3.586 . 0 0 "[ . 1 . 2]" 1
587 1 30 ASP H 1 31 VAL H . . 4.620 4.570 4.512 4.627 0.007 7 0 "[ . 1 . 2]" 1
588 1 30 ASP QB 1 31 VAL H . . 3.440 2.361 2.204 2.590 . 0 0 "[ . 1 . 2]" 1
589 1 30 ASP QB 1 31 VAL HB . . 5.220 4.721 4.585 4.873 . 0 0 "[ . 1 . 2]" 1
590 1 30 ASP QB 1 31 VAL QG . . 4.360 4.154 4.072 4.255 . 0 0 "[ . 1 . 2]" 1
591 1 30 ASP QB 1 48 HIS HD2 . . 4.280 4.286 3.905 4.476 0.196 17 0 "[ . 1 . 2]" 1
592 1 30 ASP QB 1 48 HIS HE1 . . 5.150 2.762 2.441 3.254 . 0 0 "[ . 1 . 2]" 1
593 1 30 ASP QB 1 49 ASP H . . 4.820 4.739 4.381 5.003 0.183 11 0 "[ . 1 . 2]" 1
594 1 30 ASP HB2 1 31 VAL H . . 4.060 3.749 3.619 3.895 . 0 0 "[ . 1 . 2]" 1
595 1 30 ASP HB2 1 31 VAL QG . . 5.200 5.082 4.966 5.157 . 0 0 "[ . 1 . 2]" 1
596 1 30 ASP HB2 1 32 ILE MD . . 4.100 4.223 3.928 4.464 0.364 17 0 "[ . 1 . 2]" 1
597 1 30 ASP HB2 1 48 HIS HD2 . . 4.950 5.244 4.811 5.496 0.546 17 3 "[ - . 1 .*+ 2]" 1
598 1 30 ASP HB3 1 31 VAL H . . 4.060 2.386 2.223 2.630 . 0 0 "[ . 1 . 2]" 1
599 1 30 ASP HB3 1 31 VAL QG . . 5.200 4.407 4.316 4.554 . 0 0 "[ . 1 . 2]" 1
600 1 30 ASP HB3 1 32 ILE MD . . 4.100 4.161 3.835 4.470 0.370 7 0 "[ . 1 . 2]" 1
601 1 30 ASP HB3 1 48 HIS HD2 . . 4.950 4.547 4.130 4.766 . 0 0 "[ . 1 . 2]" 1
602 1 31 VAL H 1 31 VAL HB . . 3.300 2.544 2.463 2.628 . 0 0 "[ . 1 . 2]" 1
603 1 31 VAL H 1 31 VAL QG . . 3.440 2.711 2.574 2.803 . 0 0 "[ . 1 . 2]" 1
604 1 31 VAL H 1 32 ILE MD . . 5.150 5.193 5.018 5.445 0.295 7 0 "[ . 1 . 2]" 1
605 1 31 VAL H 1 32 ILE QG . . 4.430 3.888 3.722 4.123 . 0 0 "[ . 1 . 2]" 1
606 1 31 VAL H 1 49 ASP QB . . 4.570 3.497 3.165 4.041 . 0 0 "[ . 1 . 2]" 1
607 1 31 VAL H 1 50 VAL MG2 . . 4.400 3.734 3.287 4.412 0.012 4 0 "[ . 1 . 2]" 1
608 1 31 VAL HB 1 32 ILE H . . 4.570 4.203 4.082 4.286 . 0 0 "[ . 1 . 2]" 1
609 1 31 VAL HB 1 32 ILE QG . . 5.340 4.945 4.880 5.036 . 0 0 "[ . 1 . 2]" 1
610 1 31 VAL HB 1 49 ASP QB . . 3.460 2.388 2.270 2.870 . 0 0 "[ . 1 . 2]" 1
611 1 31 VAL QG 1 32 ILE H . . 3.110 2.626 2.405 2.777 . 0 0 "[ . 1 . 2]" 1
612 1 31 VAL QG 1 32 ILE HA . . 3.960 3.625 3.536 3.706 . 0 0 "[ . 1 . 2]" 1
613 1 31 VAL QG 1 49 ASP HA . . 4.810 4.633 4.362 4.826 0.016 3 0 "[ . 1 . 2]" 1
614 1 31 VAL QG 1 49 ASP QB . . 3.920 2.529 2.242 3.024 . 0 0 "[ . 1 . 2]" 1
615 1 32 ILE H 1 32 ILE HB . . 3.450 2.788 2.732 2.827 . 0 0 "[ . 1 . 2]" 1
616 1 32 ILE H 1 32 ILE MD . . 4.340 4.343 4.303 4.370 0.030 6 0 "[ . 1 . 2]" 1
617 1 32 ILE H 1 32 ILE QG . . 4.000 2.932 2.887 2.987 . 0 0 "[ . 1 . 2]" 1
618 1 32 ILE H 1 32 ILE MG . . 4.030 3.959 3.917 3.979 . 0 0 "[ . 1 . 2]" 1
619 1 32 ILE H 1 33 THR HA . . 5.500 4.846 4.797 4.928 . 0 0 "[ . 1 . 2]" 1
620 1 32 ILE HA 1 32 ILE MD . . 3.950 3.836 3.795 3.862 . 0 0 "[ . 1 . 2]" 1
621 1 32 ILE HA 1 32 ILE QG . . 3.460 2.422 2.375 2.452 . 0 0 "[ . 1 . 2]" 1
622 1 32 ILE HA 1 32 ILE MG . . 3.140 2.441 2.418 2.459 . 0 0 "[ . 1 . 2]" 1
623 1 32 ILE HA 1 33 THR H . . 2.910 2.172 2.141 2.194 . 0 0 "[ . 1 . 2]" 1
624 1 32 ILE HA 1 33 THR HB . . 5.500 4.680 4.521 4.811 . 0 0 "[ . 1 . 2]" 1
625 1 32 ILE HA 1 48 HIS H . . 5.100 4.685 4.533 4.825 . 0 0 "[ . 1 . 2]" 1
626 1 32 ILE HA 1 48 HIS HA . . 3.490 2.428 2.227 2.677 . 0 0 "[ . 1 . 2]" 1
627 1 32 ILE HA 1 48 HIS HB2 . . 5.500 4.972 4.746 5.269 . 0 0 "[ . 1 . 2]" 1
628 1 32 ILE HA 1 49 ASP H . . 3.720 3.068 2.802 3.439 . 0 0 "[ . 1 . 2]" 1
629 1 32 ILE HA 1 49 ASP QB . . 4.390 3.817 3.565 4.055 . 0 0 "[ . 1 . 2]" 1
630 1 32 ILE HB 1 32 ILE MD . . 3.310 2.550 2.529 2.584 . 0 0 "[ . 1 . 2]" 1
631 1 32 ILE HB 1 33 THR H . . 4.840 4.065 3.999 4.130 . 0 0 "[ . 1 . 2]" 1
632 1 32 ILE HB 1 34 LEU QD . . 4.520 4.192 3.975 4.279 . 0 0 "[ . 1 . 2]" 1
633 1 32 ILE HB 1 46 GLY HA3 . . 5.500 4.892 4.694 5.057 . 0 0 "[ . 1 . 2]" 1
634 1 32 ILE HB 1 62 THR HB . . 5.500 5.190 4.933 5.545 0.045 16 0 "[ . 1 . 2]" 1
635 1 32 ILE MD 1 32 ILE MG . . 3.010 2.068 2.056 2.077 . 0 0 "[ . 1 . 2]" 1
636 1 32 ILE MD 1 33 THR H . . 5.500 4.950 4.838 5.038 . 0 0 "[ . 1 . 2]" 1
637 1 32 ILE MD 1 48 HIS HA . . 3.940 3.635 3.604 3.651 . 0 0 "[ . 1 . 2]" 1
638 1 32 ILE MD 1 48 HIS HB2 . . 4.520 3.919 3.763 4.195 . 0 0 "[ . 1 . 2]" 1
639 1 32 ILE MD 1 48 HIS HB3 . . 5.500 5.164 5.047 5.365 . 0 0 "[ . 1 . 2]" 1
640 1 32 ILE MD 1 48 HIS HD2 . . 3.610 2.671 2.281 3.342 . 0 0 "[ . 1 . 2]" 1
641 1 32 ILE MD 1 49 ASP H . . 5.280 5.011 4.941 5.064 . 0 0 "[ . 1 . 2]" 1
642 1 32 ILE MD 1 57 PHE QD . . 4.780 3.812 3.563 3.959 . 0 0 "[ . 1 . 2]" 1
643 1 32 ILE MD 1 57 PHE QE . . 4.070 3.659 3.417 3.853 . 0 0 "[ . 1 . 2]" 1
644 1 32 ILE MD 1 62 THR MG . . 3.430 2.862 2.634 3.148 . 0 0 "[ . 1 . 2]" 1
645 1 32 ILE QG 1 33 THR H . . 5.340 4.136 4.071 4.221 . 0 0 "[ . 1 . 2]" 1
646 1 32 ILE QG 1 48 HIS HB2 . . 5.240 3.736 3.558 4.133 . 0 0 "[ . 1 . 2]" 1
647 1 32 ILE QG 1 48 HIS HB3 . . 5.340 4.612 4.481 4.905 . 0 0 "[ . 1 . 2]" 1
648 1 32 ILE QG 1 48 HIS HD2 . . 4.480 2.940 2.117 3.668 . 0 0 "[ . 1 . 2]" 1
649 1 32 ILE HG12 1 48 HIS HA . . 4.000 2.256 2.160 2.371 . 0 0 "[ . 1 . 2]" 1
650 1 32 ILE HG13 1 48 HIS HA . . 4.000 3.885 3.741 4.045 0.045 8 0 "[ . 1 . 2]" 1
651 1 32 ILE MG 1 33 THR H . . 3.390 2.476 2.366 2.571 . 0 0 "[ . 1 . 2]" 1
652 1 32 ILE MG 1 33 THR HB . . 4.540 4.238 4.170 4.301 . 0 0 "[ . 1 . 2]" 1
653 1 32 ILE MG 1 34 LEU HA . . 4.380 4.022 3.841 4.124 . 0 0 "[ . 1 . 2]" 1
654 1 32 ILE MG 1 34 LEU QD . . 3.740 3.295 3.170 3.342 . 0 0 "[ . 1 . 2]" 1
655 1 32 ILE MG 1 46 GLY HA2 . . 4.400 3.572 3.417 3.703 . 0 0 "[ . 1 . 2]" 1
656 1 32 ILE MG 1 46 GLY HA3 . . 3.440 2.415 2.244 2.542 . 0 0 "[ . 1 . 2]" 1
657 1 32 ILE MG 1 47 GLU H . . 3.450 2.705 2.528 2.864 . 0 0 "[ . 1 . 2]" 1
658 1 32 ILE MG 1 47 GLU HA . . 4.710 3.723 3.657 3.789 . 0 0 "[ . 1 . 2]" 1
659 1 32 ILE MG 1 47 GLU HB2 . . 5.500 5.047 4.910 5.144 . 0 0 "[ . 1 . 2]" 1
660 1 32 ILE MG 1 47 GLU HB3 . . 5.300 4.536 4.391 4.649 . 0 0 "[ . 1 . 2]" 1
661 1 32 ILE MG 1 47 GLU QG . . 5.430 4.698 4.638 4.771 . 0 0 "[ . 1 . 2]" 1
662 1 32 ILE MG 1 48 HIS HA . . 3.580 2.817 2.641 2.976 . 0 0 "[ . 1 . 2]" 1
663 1 32 ILE MG 1 48 HIS HB2 . . 4.750 3.981 3.778 4.316 . 0 0 "[ . 1 . 2]" 1
664 1 32 ILE MG 1 48 HIS HD2 . . 4.510 4.250 3.627 4.985 0.475 17 0 "[ . 1 . 2]" 1
665 1 32 ILE MG 1 57 PHE QD . . 5.410 4.019 3.894 4.123 . 0 0 "[ . 1 . 2]" 1
666 1 32 ILE MG 1 57 PHE QE . . 3.630 3.085 2.871 3.179 . 0 0 "[ . 1 . 2]" 1
667 1 33 THR H 1 33 THR HB . . 3.170 2.588 2.498 2.698 . 0 0 "[ . 1 . 2]" 1
668 1 33 THR H 1 33 THR MG . . 3.860 3.845 3.821 3.870 0.010 20 0 "[ . 1 . 2]" 1
669 1 33 THR H 1 47 GLU HB3 . . 4.440 3.877 3.724 3.994 . 0 0 "[ . 1 . 2]" 1
670 1 33 THR H 1 48 HIS HA . . 4.320 3.714 3.415 3.978 . 0 0 "[ . 1 . 2]" 1
671 1 33 THR H 1 49 ASP H . . 5.160 4.544 4.255 4.897 . 0 0 "[ . 1 . 2]" 1
672 1 33 THR HA 1 33 THR MG . . 3.090 2.395 2.346 2.450 . 0 0 "[ . 1 . 2]" 1
673 1 33 THR HA 1 34 LEU H . . 2.950 2.242 2.183 2.293 . 0 0 "[ . 1 . 2]" 1
674 1 33 THR HA 1 34 LEU QB . . 5.040 4.573 4.488 4.639 . 0 0 "[ . 1 . 2]" 1
675 1 33 THR HA 1 34 LEU QD . . 3.420 3.657 3.546 3.692 0.272 16 0 "[ . 1 . 2]" 1
676 1 33 THR HA 1 34 LEU HG . . 3.910 3.775 3.638 3.954 0.044 18 0 "[ . 1 . 2]" 1
677 1 33 THR HB 1 34 LEU HA . . 5.500 4.996 4.772 5.172 . 0 0 "[ . 1 . 2]" 1
678 1 33 THR HB 1 34 LEU QD . . 5.410 5.216 5.068 5.361 . 0 0 "[ . 1 . 2]" 1
679 1 33 THR HB 1 46 GLY HA2 . . 5.500 4.874 4.605 5.223 . 0 0 "[ . 1 . 2]" 1
680 1 33 THR HB 1 47 GLU HB3 . . 3.490 2.741 2.508 3.058 . 0 0 "[ . 1 . 2]" 1
681 1 33 THR HB 1 47 GLU QG . . 5.120 4.151 4.025 4.205 . 0 0 "[ . 1 . 2]" 1
682 1 33 THR MG 1 34 LEU H . . 3.300 2.527 2.430 2.613 . 0 0 "[ . 1 . 2]" 1
683 1 33 THR MG 1 34 LEU HA . . 5.230 4.260 4.194 4.304 . 0 0 "[ . 1 . 2]" 1
684 1 34 LEU H 1 34 LEU HB2 . . 3.850 2.583 2.541 2.639 . 0 0 "[ . 1 . 2]" 1
685 1 34 LEU H 1 34 LEU QB . . 3.210 2.531 2.493 2.581 . 0 0 "[ . 1 . 2]" 1
686 1 34 LEU H 1 34 LEU HB3 . . 3.850 3.630 3.611 3.652 . 0 0 "[ . 1 . 2]" 1
687 1 34 LEU H 1 34 LEU MD1 . . 3.770 3.796 3.774 3.853 0.083 18 0 "[ . 1 . 2]" 1
688 1 34 LEU H 1 34 LEU QD . . 3.230 2.859 2.713 2.918 . 0 0 "[ . 1 . 2]" 1
689 1 34 LEU H 1 34 LEU MD2 . . 3.770 2.958 2.772 3.034 . 0 0 "[ . 1 . 2]" 1
690 1 34 LEU H 1 34 LEU HG . . 3.300 2.284 2.247 2.316 . 0 0 "[ . 1 . 2]" 1
691 1 34 LEU H 1 35 LEU H . . 4.760 4.642 4.614 4.687 . 0 0 "[ . 1 . 2]" 1
692 1 34 LEU HA 1 34 LEU QD . . 2.760 2.191 2.173 2.222 . 0 0 "[ . 1 . 2]" 1
693 1 34 LEU HA 1 35 LEU H . . 3.030 2.190 2.158 2.223 . 0 0 "[ . 1 . 2]" 1
694 1 34 LEU HA 1 36 ILE H . . 3.960 3.791 3.714 3.873 . 0 0 "[ . 1 . 2]" 1
695 1 34 LEU HA 1 46 GLY HA3 . . 3.690 3.447 3.323 3.571 . 0 0 "[ . 1 . 2]" 1
696 1 34 LEU HA 1 57 PHE QE . . 5.500 4.611 4.415 4.853 . 0 0 "[ . 1 . 2]" 1
697 1 34 LEU QB 1 34 LEU QD . . 2.610 1.985 1.975 1.992 . 0 0 "[ . 1 . 2]" 1
698 1 34 LEU QB 1 36 ILE H . . 3.810 2.998 2.758 3.223 . 0 0 "[ . 1 . 2]" 1
699 1 34 LEU HB2 1 35 LEU H . . 4.250 4.012 3.893 4.099 . 0 0 "[ . 1 . 2]" 1
700 1 34 LEU HB2 1 36 ILE H . . 4.330 4.268 3.939 4.507 0.177 14 0 "[ . 1 . 2]" 1
701 1 34 LEU HB3 1 35 LEU H . . 4.250 3.049 2.902 3.180 . 0 0 "[ . 1 . 2]" 1
702 1 34 LEU HB3 1 36 ILE H . . 4.330 3.063 2.816 3.302 . 0 0 "[ . 1 . 2]" 1
703 1 34 LEU QD 1 35 LEU H . . 4.230 3.628 3.550 3.681 . 0 0 "[ . 1 . 2]" 1
704 1 34 LEU QD 1 36 ILE H . . 4.950 4.053 3.914 4.201 . 0 0 "[ . 1 . 2]" 1
705 1 34 LEU QD 1 46 GLY HA2 . . 4.730 4.122 4.013 4.208 . 0 0 "[ . 1 . 2]" 1
706 1 34 LEU QD 1 46 GLY HA3 . . 4.030 3.780 3.649 3.878 . 0 0 "[ . 1 . 2]" 1
707 1 35 LEU H 1 35 LEU HB2 . . 4.010 2.548 2.506 2.614 . 0 0 "[ . 1 . 2]" 1
708 1 35 LEU H 1 35 LEU HB3 . . 4.010 3.736 3.714 3.764 . 0 0 "[ . 1 . 2]" 1
709 1 35 LEU H 1 35 LEU QD . . 4.330 3.419 3.344 3.516 . 0 0 "[ . 1 . 2]" 1
710 1 35 LEU H 1 35 LEU HG . . 5.500 2.786 2.647 2.972 . 0 0 "[ . 1 . 2]" 1
711 1 35 LEU H 1 36 ILE H . . 3.360 2.177 2.093 2.245 . 0 0 "[ . 1 . 2]" 1
712 1 35 LEU H 1 36 ILE MD . . 4.620 4.938 4.678 5.167 0.547 6 3 "[ .+ 1* - . 2]" 1
713 1 35 LEU H 1 36 ILE QG . . 4.020 3.524 3.291 3.679 . 0 0 "[ . 1 . 2]" 1
714 1 35 LEU H 1 36 ILE MG . . 4.690 5.618 5.567 5.666 0.976 13 20 [-***********+*******] 1
715 1 35 LEU H 1 46 GLY HA2 . . 3.650 2.756 2.672 2.812 . 0 0 "[ . 1 . 2]" 1
716 1 35 LEU H 1 46 GLY HA3 . . 3.800 4.016 3.980 4.038 0.238 14 0 "[ . 1 . 2]" 1
717 1 35 LEU H 1 47 GLU H . . 5.340 4.713 4.596 4.802 . 0 0 "[ . 1 . 2]" 1
718 1 35 LEU HA 1 35 LEU MD1 . . 4.200 3.943 3.932 3.958 . 0 0 "[ . 1 . 2]" 1
719 1 35 LEU HA 1 35 LEU QD . . 2.720 2.346 2.296 2.407 . 0 0 "[ . 1 . 2]" 1
720 1 35 LEU HA 1 35 LEU MD2 . . 4.200 2.364 2.311 2.428 . 0 0 "[ . 1 . 2]" 1
721 1 35 LEU HA 1 35 LEU HG . . 4.000 3.154 3.104 3.184 . 0 0 "[ . 1 . 2]" 1
722 1 35 LEU QB 1 35 LEU QD . . 2.380 1.958 1.943 1.970 . 0 0 "[ . 1 . 2]" 1
723 1 35 LEU QB 1 36 ILE H . . 3.880 3.282 3.148 3.431 . 0 0 "[ . 1 . 2]" 1
724 1 35 LEU QB 1 45 TYR QD . . 3.610 2.163 2.117 2.222 . 0 0 "[ . 1 . 2]" 1
725 1 35 LEU QB 1 46 GLY H . . 4.680 4.409 4.193 4.619 . 0 0 "[ . 1 . 2]" 1
726 1 35 LEU QB 1 46 GLY HA2 . . 3.410 3.165 2.972 3.284 . 0 0 "[ . 1 . 2]" 1
727 1 35 LEU QB 1 46 GLY HA3 . . 4.390 4.671 4.497 4.796 0.406 5 0 "[ . 1 . 2]" 1
728 1 35 LEU QB 2 28 ILE MD . . 4.450 3.787 3.509 4.107 . 0 0 "[ . 1 . 2]" 1
729 1 35 LEU HB2 1 45 TYR QD . . 4.170 2.229 2.180 2.281 . 0 0 "[ . 1 . 2]" 1
730 1 35 LEU HB2 1 45 TYR QE . . 4.380 3.500 3.406 3.655 . 0 0 "[ . 1 . 2]" 1
731 1 35 LEU HB3 1 45 TYR QD . . 4.170 2.924 2.752 3.067 . 0 0 "[ . 1 . 2]" 1
732 1 35 LEU HB3 1 45 TYR QE . . 4.380 3.141 3.021 3.375 . 0 0 "[ . 1 . 2]" 1
733 1 35 LEU QD 1 36 ILE H . . 5.080 4.475 4.410 4.557 . 0 0 "[ . 1 . 2]" 1
734 1 35 LEU QD 1 45 TYR QD . . 4.240 2.881 2.669 2.958 . 0 0 "[ . 1 . 2]" 1
735 1 35 LEU QD 1 45 TYR QE . . 3.630 2.383 2.254 2.436 . 0 0 "[ . 1 . 2]" 1
736 1 35 LEU QD 1 46 GLY H . . 4.960 3.228 3.144 3.328 . 0 0 "[ . 1 . 2]" 1
737 1 35 LEU QD 1 46 GLY HA2 . . 3.640 2.606 2.523 2.691 . 0 0 "[ . 1 . 2]" 1
738 1 35 LEU QD 1 46 GLY HA3 . . 4.080 3.687 3.633 3.743 . 0 0 "[ . 1 . 2]" 1
739 1 35 LEU QD 1 47 GLU H . . 3.730 3.034 2.875 3.193 . 0 0 "[ . 1 . 2]" 1
740 1 35 LEU QD 1 47 GLU HA . . 4.230 3.269 3.130 3.367 . 0 0 "[ . 1 . 2]" 1
741 1 35 LEU QD 1 47 GLU HB2 . . 3.120 2.053 2.013 2.131 . 0 0 "[ . 1 . 2]" 1
742 1 35 LEU QD 1 47 GLU QG . . 4.040 3.624 3.562 3.694 . 0 0 "[ . 1 . 2]" 1
743 1 35 LEU QD 1 54 ARG HB2 . . 5.440 4.287 4.221 4.334 . 0 0 "[ . 1 . 2]" 1
744 1 35 LEU QD 1 54 ARG HB3 . . 5.440 3.226 3.151 3.317 . 0 0 "[ . 1 . 2]" 1
745 1 35 LEU QD 1 54 ARG QD . . 3.300 2.525 2.300 2.760 . 0 0 "[ . 1 . 2]" 1
746 1 35 LEU QD 1 54 ARG HG2 . . 3.630 2.157 2.071 2.203 . 0 0 "[ . 1 . 2]" 1
747 1 35 LEU QD 1 54 ARG HG3 . . 4.840 3.548 3.402 3.606 . 0 0 "[ . 1 . 2]" 1
748 1 35 LEU MD1 1 45 TYR QE . . 4.470 2.400 2.265 2.454 . 0 0 "[ . 1 . 2]" 1
749 1 35 LEU MD2 1 45 TYR QE . . 4.470 4.064 3.959 4.125 . 0 0 "[ . 1 . 2]" 1
750 1 35 LEU HG 1 46 GLY HA2 . . 3.930 2.012 2.000 2.037 . 0 0 "[ . 1 . 2]" 1
751 1 35 LEU HG 1 46 GLY HA3 . . 5.110 3.693 3.669 3.707 . 0 0 "[ . 1 . 2]" 1
752 1 35 LEU HG 1 47 GLU H . . 4.680 2.959 2.732 3.159 . 0 0 "[ . 1 . 2]" 1
753 1 36 ILE H 1 36 ILE HB . . 4.050 2.904 2.816 3.146 . 0 0 "[ . 1 . 2]" 1
754 1 36 ILE H 1 36 ILE MD . . 4.240 4.098 3.919 4.264 0.024 6 0 "[ . 1 . 2]" 1
755 1 36 ILE H 1 36 ILE QG . . 3.630 2.600 2.422 2.722 . 0 0 "[ . 1 . 2]" 1
756 1 36 ILE H 1 36 ILE MG . . 3.940 3.997 3.957 4.048 0.108 16 0 "[ . 1 . 2]" 1
757 1 36 ILE HA 1 37 PRO QG . . 4.750 3.973 3.962 4.006 . 0 0 "[ . 1 . 2]" 1
758 1 36 ILE HB 1 36 ILE MD . . 3.140 2.386 2.159 2.502 . 0 0 "[ . 1 . 2]" 1
759 1 36 ILE HB 1 37 PRO QD . . 3.430 3.716 3.209 3.793 0.363 7 0 "[ . 1 . 2]" 1
760 1 36 ILE HB 1 38 GLU H . . 4.080 2.941 2.687 3.039 . 0 0 "[ . 1 . 2]" 1
761 1 36 ILE HB 1 45 TYR H . . 5.460 3.879 3.715 4.123 . 0 0 "[ . 1 . 2]" 1
762 1 36 ILE HB 1 45 TYR QB . . 4.980 3.880 3.787 4.060 . 0 0 "[ . 1 . 2]" 1
763 1 36 ILE HB 1 45 TYR QD . . 5.500 5.048 4.860 5.304 . 0 0 "[ . 1 . 2]" 1
764 1 36 ILE HB 2 28 ILE MD . . 4.680 4.500 4.395 4.655 . 0 0 "[ . 1 . 2]" 1
765 1 36 ILE MD 1 37 PRO QD . . 4.270 4.382 4.224 4.446 0.176 14 0 "[ . 1 . 2]" 1
766 1 36 ILE MD 1 38 GLU H . . 3.730 4.342 4.011 4.502 0.772 13 17 "[ ***********+*- ** *]" 1
767 1 36 ILE MD 1 39 GLU HA . . 3.800 3.681 2.930 4.082 0.282 13 0 "[ . 1 . 2]" 1
768 1 36 ILE MD 1 40 LYS H . . 4.430 4.492 4.063 4.737 0.307 13 0 "[ . 1 . 2]" 1
769 1 36 ILE MD 1 45 TYR H . . 3.650 2.874 2.233 3.457 . 0 0 "[ . 1 . 2]" 1
770 1 36 ILE MD 1 45 TYR QB . . 3.340 1.970 1.920 2.046 . 0 0 "[ . 1 . 2]" 1
771 1 36 ILE MD 1 45 TYR QD . . 4.290 3.049 2.799 3.575 . 0 0 "[ . 1 . 2]" 1
772 1 36 ILE MD 1 56 TRP HH2 . . 3.780 2.591 2.465 2.771 . 0 0 "[ . 1 . 2]" 1
773 1 36 ILE MD 1 56 TRP HZ2 . . 4.910 3.975 3.775 4.099 . 0 0 "[ . 1 . 2]" 1
774 1 36 ILE MD 1 56 TRP HZ3 . . 3.500 2.642 2.362 2.918 . 0 0 "[ . 1 . 2]" 1
775 1 36 ILE MD 2 28 ILE MD . . 3.530 2.226 2.032 2.649 . 0 0 "[ . 1 . 2]" 1
776 1 36 ILE MD 2 28 ILE MG . . 4.460 2.509 2.334 2.973 . 0 0 "[ . 1 . 2]" 1
777 1 36 ILE QG 1 37 PRO QD . . 4.470 3.834 3.770 4.001 . 0 0 "[ . 1 . 2]" 1
778 1 36 ILE QG 1 38 GLU H . . 4.320 4.665 4.544 4.751 0.431 13 0 "[ . 1 . 2]" 1
779 1 36 ILE QG 1 45 TYR H . . 4.080 3.291 2.632 3.488 . 0 0 "[ . 1 . 2]" 1
780 1 36 ILE MG 1 37 PRO QB . . 5.340 4.219 4.153 4.524 . 0 0 "[ . 1 . 2]" 1
781 1 36 ILE MG 1 37 PRO QD . . 3.680 1.891 1.820 1.957 . 0 0 "[ . 1 . 2]" 1
782 1 36 ILE MG 1 37 PRO QG . . 4.200 3.055 2.995 3.313 . 0 0 "[ . 1 . 2]" 1
783 1 36 ILE MG 1 38 GLU H . . 4.190 1.902 1.779 2.527 . 0 0 "[ . 1 . 2]" 1
784 1 36 ILE MG 1 39 GLU HA . . 5.310 4.306 4.084 4.550 . 0 0 "[ . 1 . 2]" 1
785 1 36 ILE MG 1 45 TYR QB . . 3.620 4.252 3.923 4.318 0.698 10 19 "[*********+***** **-*]" 1
786 1 36 ILE MG 1 45 TYR QD . . 4.090 4.861 4.472 4.973 0.883 14 19 "[*************+* -***]" 1
787 1 36 ILE MG 1 45 TYR QE . . 4.550 6.429 6.019 6.543 1.993 14 20 [*************+*-****] 1
788 1 36 ILE MG 1 56 TRP HZ2 . . 5.460 6.082 5.574 6.337 0.877 6 17 "[****.+********* *- *]" 1
789 1 36 ILE MG 2 28 ILE HB . . 4.980 5.786 5.211 6.057 1.077 6 18 "[*****+********* -* *]" 1
790 1 36 ILE MG 2 28 ILE MD . . 3.180 3.075 2.641 3.303 0.123 11 0 "[ . 1 . 2]" 1
791 1 36 ILE MG 2 28 ILE MG . . 3.780 4.443 4.022 4.651 0.871 11 16 "[ *********+***- * *]" 1
792 1 37 PRO QB 1 38 GLU H . . 3.710 3.730 3.604 3.838 0.128 6 0 "[ . 1 . 2]" 1
793 1 37 PRO QD 1 38 GLU H . . 3.680 2.937 2.406 3.046 . 0 0 "[ . 1 . 2]" 1
794 1 37 PRO QD 1 38 GLU QG . . 4.600 3.812 3.435 4.401 . 0 0 "[ . 1 . 2]" 1
795 1 37 PRO QG 1 38 GLU H . . 3.420 3.169 2.870 3.305 . 0 0 "[ . 1 . 2]" 1
796 1 38 GLU H 1 38 GLU QB . . 3.570 3.217 2.748 3.294 . 0 0 "[ . 1 . 2]" 1
797 1 38 GLU H 1 38 GLU HG2 . . 4.300 2.782 2.618 4.241 . 0 0 "[ . 1 . 2]" 1
798 1 38 GLU H 1 38 GLU HG3 . . 4.300 3.468 3.263 4.395 0.095 17 0 "[ . 1 . 2]" 1
799 1 38 GLU H 1 39 GLU H . . 4.660 4.389 4.298 4.439 . 0 0 "[ . 1 . 2]" 1
800 1 38 GLU HA 1 38 GLU HG2 . . 4.010 3.704 2.504 3.823 . 0 0 "[ . 1 . 2]" 1
801 1 38 GLU HA 1 38 GLU QG . . 3.500 3.329 2.419 3.400 . 0 0 "[ . 1 . 2]" 1
802 1 38 GLU HA 1 38 GLU HG3 . . 4.010 3.793 3.200 3.862 . 0 0 "[ . 1 . 2]" 1
803 1 38 GLU HA 1 39 GLU H . . 2.730 2.344 2.185 2.559 . 0 0 "[ . 1 . 2]" 1
804 1 38 GLU HB2 1 39 GLU H . . 4.010 2.770 2.248 4.016 0.006 16 0 "[ . 1 . 2]" 1
805 1 38 GLU HB3 1 39 GLU H . . 4.010 3.803 2.795 4.011 0.001 10 0 "[ . 1 . 2]" 1
806 1 38 GLU QG 1 39 GLU H . . 4.490 3.809 3.346 4.549 0.059 17 0 "[ . 1 . 2]" 1
807 1 39 GLU H 1 39 GLU QB . . 3.290 2.544 2.337 2.917 . 0 0 "[ . 1 . 2]" 1
808 1 39 GLU H 1 39 GLU QG . . 3.450 3.035 2.270 3.313 . 0 0 "[ . 1 . 2]" 1
809 1 39 GLU H 1 44 LEU QD . . 3.630 3.453 3.205 3.879 0.249 6 0 "[ . 1 . 2]" 1
810 1 39 GLU HA 1 39 GLU QG . . 3.620 3.492 3.342 3.529 . 0 0 "[ . 1 . 2]" 1
811 1 39 GLU HA 1 40 LYS H . . 3.040 2.422 2.333 2.472 . 0 0 "[ . 1 . 2]" 1
812 1 39 GLU HA 1 44 LEU QD . . 3.120 2.446 2.368 2.612 . 0 0 "[ . 1 . 2]" 1
813 1 39 GLU HA 1 44 LEU HG . . 3.880 3.654 3.440 3.886 0.006 17 0 "[ . 1 . 2]" 1
814 1 39 GLU QB 1 40 LYS H . . 3.520 2.363 2.272 2.450 . 0 0 "[ . 1 . 2]" 1
815 1 39 GLU QB 1 42 GLY HA2 . . 4.350 3.886 3.608 4.183 . 0 0 "[ . 1 . 2]" 1
816 1 39 GLU QB 1 43 TRP H . . 4.410 3.783 3.519 3.964 . 0 0 "[ . 1 . 2]" 1
817 1 39 GLU QB 1 44 LEU MD1 . . 4.020 3.413 3.191 3.598 . 0 0 "[ . 1 . 2]" 1
818 1 39 GLU QB 1 44 LEU QD . . 3.120 2.378 2.206 2.436 . 0 0 "[ . 1 . 2]" 1
819 1 39 GLU QB 1 44 LEU MD2 . . 4.020 2.428 2.244 2.489 . 0 0 "[ . 1 . 2]" 1
820 1 39 GLU QB 1 44 LEU HG . . 3.780 2.304 2.169 2.434 . 0 0 "[ . 1 . 2]" 1
821 1 39 GLU QB 1 59 SER HB2 . . 4.460 3.704 3.111 4.277 . 0 0 "[ . 1 . 2]" 1
822 1 39 GLU QB 1 59 SER QB . . 3.890 3.108 2.806 3.586 . 0 0 "[ . 1 . 2]" 1
823 1 39 GLU QB 1 59 SER HB3 . . 4.460 3.546 2.906 4.085 . 0 0 "[ . 1 . 2]" 1
824 1 39 GLU QG 1 40 LYS H . . 4.730 3.225 2.988 3.491 . 0 0 "[ . 1 . 2]" 1
825 1 39 GLU QG 1 40 LYS QB . . 4.790 4.782 4.589 4.969 0.179 12 0 "[ . 1 . 2]" 1
826 1 39 GLU QG 1 42 GLY H . . 4.360 2.596 2.376 2.930 . 0 0 "[ . 1 . 2]" 1
827 1 39 GLU QG 1 42 GLY HA2 . . 4.660 3.022 2.743 3.407 . 0 0 "[ . 1 . 2]" 1
828 1 39 GLU QG 1 43 TRP HA . . 5.500 5.460 5.331 5.502 0.002 14 0 "[ . 1 . 2]" 1
829 1 39 GLU QG 1 44 LEU MD1 . . 4.860 4.765 4.552 4.912 0.052 8 0 "[ . 1 . 2]" 1
830 1 39 GLU QG 1 44 LEU QD . . 3.810 3.938 3.871 3.990 0.180 8 0 "[ . 1 . 2]" 1
831 1 39 GLU QG 1 44 LEU MD2 . . 4.860 4.203 4.055 4.242 . 0 0 "[ . 1 . 2]" 1
832 1 39 GLU QG 1 44 LEU HG . . 4.310 4.027 3.873 4.255 . 0 0 "[ . 1 . 2]" 1
833 1 39 GLU QG 1 59 SER HB2 . . 5.290 4.248 3.800 5.244 . 0 0 "[ . 1 . 2]" 1
834 1 39 GLU QG 1 59 SER QB . . 4.520 3.626 3.266 4.249 . 0 0 "[ . 1 . 2]" 1
835 1 39 GLU QG 1 59 SER HB3 . . 5.290 3.979 3.449 4.492 . 0 0 "[ . 1 . 2]" 1
836 1 40 LYS H 1 40 LYS QB . . 3.470 2.442 2.391 2.474 . 0 0 "[ . 1 . 2]" 1
837 1 40 LYS H 1 40 LYS QG . . 4.380 4.072 4.046 4.095 . 0 0 "[ . 1 . 2]" 1
838 1 40 LYS H 1 43 TRP H . . 3.970 3.234 3.070 3.411 . 0 0 "[ . 1 . 2]" 1
839 1 40 LYS H 1 43 TRP HB3 . . 5.010 4.731 4.692 4.759 . 0 0 "[ . 1 . 2]" 1
840 1 40 LYS H 1 44 LEU QD . . 4.250 4.177 4.102 4.246 . 0 0 "[ . 1 . 2]" 1
841 1 40 LYS HA 1 40 LYS QD . . 3.660 2.264 2.231 2.305 . 0 0 "[ . 1 . 2]" 1
842 1 40 LYS HA 1 40 LYS QG . . 3.870 3.084 3.046 3.118 . 0 0 "[ . 1 . 2]" 1
843 1 40 LYS QB 1 43 TRP HB2 . . 4.430 3.006 2.868 3.184 . 0 0 "[ . 1 . 2]" 1
844 1 40 LYS QB 1 43 TRP HB3 . . 4.570 4.381 4.194 4.579 0.009 14 0 "[ . 1 . 2]" 1
845 1 40 LYS QB 1 56 TRP HE3 . . 4.810 4.000 3.739 4.130 . 0 0 "[ . 1 . 2]" 1
846 1 40 LYS QB 1 56 TRP HH2 . . 4.300 2.746 2.630 2.857 . 0 0 "[ . 1 . 2]" 1
847 1 40 LYS QB 1 56 TRP HZ2 . . 4.990 4.384 4.271 4.453 . 0 0 "[ . 1 . 2]" 1
848 1 40 LYS QB 1 56 TRP HZ3 . . 3.930 2.537 2.405 2.617 . 0 0 "[ . 1 . 2]" 1
849 1 40 LYS QB 2 31 ALA MB . . 4.340 3.354 3.190 3.589 . 0 0 "[ . 1 . 2]" 1
850 1 40 LYS QD 1 41 ASP HB2 . . 4.400 3.878 3.771 4.186 . 0 0 "[ . 1 . 2]" 1
851 1 40 LYS QD 1 41 ASP HB3 . . 5.250 4.977 4.959 5.021 . 0 0 "[ . 1 . 2]" 1
852 1 40 LYS QD 1 56 TRP HH2 . . 5.500 4.930 4.442 5.270 . 0 0 "[ . 1 . 2]" 1
853 1 40 LYS QD 2 31 ALA MB . . 4.920 3.742 3.362 3.989 . 0 0 "[ . 1 . 2]" 1
854 1 40 LYS QG 1 41 ASP HA . . 4.970 4.978 4.900 5.009 0.039 10 0 "[ . 1 . 2]" 1
855 1 40 LYS QG 1 41 ASP HB2 . . 4.340 3.137 3.033 3.308 . 0 0 "[ . 1 . 2]" 1
856 1 40 LYS QG 1 41 ASP HB3 . . 4.740 4.739 4.666 4.766 0.026 11 0 "[ . 1 . 2]" 1
857 1 40 LYS QG 1 43 TRP H . . 4.460 4.479 4.430 4.527 0.067 2 0 "[ . 1 . 2]" 1
858 1 40 LYS QG 1 56 TRP HH2 . . 4.140 3.385 3.259 3.529 . 0 0 "[ . 1 . 2]" 1
859 1 40 LYS QG 1 56 TRP HZ3 . . 4.610 4.157 3.988 4.292 . 0 0 "[ . 1 . 2]" 1
860 1 40 LYS QG 2 31 ALA MB . . 3.670 2.304 2.198 2.571 . 0 0 "[ . 1 . 2]" 1
861 1 41 ASP HB2 1 43 TRP HD1 . . 3.830 2.819 2.419 2.948 . 0 0 "[ . 1 . 2]" 1
862 1 41 ASP HB2 2 35 PRO HA . . 4.510 4.155 3.629 4.399 . 0 0 "[ . 1 . 2]" 1
863 1 41 ASP HB2 2 36 ALA H . . 5.140 5.034 4.505 5.315 0.175 17 0 "[ . 1 . 2]" 1
864 1 41 ASP HB3 1 43 TRP HD1 . . 3.980 3.976 3.839 4.017 0.037 15 0 "[ . 1 . 2]" 1
865 1 41 ASP HB3 2 35 PRO HA . . 4.210 3.467 3.004 3.729 . 0 0 "[ . 1 . 2]" 1
866 1 41 ASP HB3 2 35 PRO HB2 . . 5.500 5.127 4.819 5.384 . 0 0 "[ . 1 . 2]" 1
867 1 41 ASP HB3 2 35 PRO HB3 . . 5.340 3.853 3.513 4.073 . 0 0 "[ . 1 . 2]" 1
868 1 42 GLY H 1 43 TRP H . . 3.910 2.666 2.538 2.735 . 0 0 "[ . 1 . 2]" 1
869 1 42 GLY HA2 2 36 ALA MB . . 3.940 3.747 3.634 3.867 . 0 0 "[ . 1 . 2]" 1
870 1 42 GLY HA3 2 36 ALA H . . 3.890 3.235 2.990 3.503 . 0 0 "[ . 1 . 2]" 1
871 1 42 GLY HA3 2 36 ALA MB . . 3.540 2.619 2.503 2.776 . 0 0 "[ . 1 . 2]" 1
872 1 43 TRP H 1 43 TRP HB2 . . 3.890 2.512 2.474 2.540 . 0 0 "[ . 1 . 2]" 1
873 1 43 TRP H 1 43 TRP HD1 . . 4.020 2.732 2.652 2.836 . 0 0 "[ . 1 . 2]" 1
874 1 43 TRP HA 1 43 TRP HE3 . . 4.160 3.043 2.909 3.170 . 0 0 "[ . 1 . 2]" 1
875 1 43 TRP HA 1 44 LEU H . . 3.240 2.140 2.115 2.159 . 0 0 "[ . 1 . 2]" 1
876 1 43 TRP HA 1 44 LEU HB2 . . 4.320 4.354 4.335 4.364 0.044 8 0 "[ . 1 . 2]" 1
877 1 43 TRP HA 1 44 LEU MD1 . . 5.500 5.431 5.209 5.566 0.066 9 0 "[ . 1 . 2]" 1
878 1 43 TRP HA 1 44 LEU MD2 . . 5.500 5.628 5.536 5.693 0.193 17 0 "[ . 1 . 2]" 1
879 1 43 TRP HA 1 56 TRP HE3 . . 4.430 4.057 4.012 4.121 . 0 0 "[ . 1 . 2]" 1
880 1 43 TRP HA 1 58 PRO HA . . 3.540 2.821 2.758 2.916 . 0 0 "[ . 1 . 2]" 1
881 1 43 TRP HA 1 58 PRO QB . . 4.720 4.611 4.547 4.676 . 0 0 "[ . 1 . 2]" 1
882 1 43 TRP HA 1 59 SER H . . 4.100 3.051 2.865 3.203 . 0 0 "[ . 1 . 2]" 1
883 1 43 TRP HA 2 36 ALA MB . . 4.190 2.940 2.878 3.035 . 0 0 "[ . 1 . 2]" 1
884 1 43 TRP HB2 1 44 LEU H . . 4.760 4.178 4.076 4.285 . 0 0 "[ . 1 . 2]" 1
885 1 43 TRP HB2 1 56 TRP HE3 . . 3.860 2.932 2.848 2.996 . 0 0 "[ . 1 . 2]" 1
886 1 43 TRP HB2 1 56 TRP HZ3 . . 4.430 3.585 3.426 3.711 . 0 0 "[ . 1 . 2]" 1
887 1 43 TRP HB2 2 31 ALA MB . . 4.580 3.818 3.694 3.897 . 0 0 "[ . 1 . 2]" 1
888 1 43 TRP HB2 2 32 PRO HD2 . . 4.490 4.131 4.005 4.253 . 0 0 "[ . 1 . 2]" 1
889 1 43 TRP HB2 2 36 ALA H . . 5.500 5.810 5.752 5.874 0.374 5 0 "[ . 1 . 2]" 1
890 1 43 TRP HB3 1 43 TRP HE3 . . 4.050 2.699 2.660 2.726 . 0 0 "[ . 1 . 2]" 1
891 1 43 TRP HB3 1 44 LEU H . . 4.020 3.292 3.106 3.488 . 0 0 "[ . 1 . 2]" 1
892 1 43 TRP HB3 1 56 TRP HA . . 4.780 3.836 3.662 4.070 . 0 0 "[ . 1 . 2]" 1
893 1 43 TRP HB3 1 56 TRP HB3 . . 4.040 2.496 2.357 2.792 . 0 0 "[ . 1 . 2]" 1
894 1 43 TRP HB3 1 56 TRP HE3 . . 3.720 2.257 2.219 2.329 . 0 0 "[ . 1 . 2]" 1
895 1 43 TRP HB3 1 56 TRP HZ3 . . 4.400 4.051 3.871 4.175 . 0 0 "[ . 1 . 2]" 1
896 1 43 TRP HB3 1 57 PHE H . . 4.700 3.290 3.207 3.342 . 0 0 "[ . 1 . 2]" 1
897 1 43 TRP HB3 2 31 ALA MB . . 4.650 4.639 4.584 4.665 0.015 17 0 "[ . 1 . 2]" 1
898 1 43 TRP HB3 2 32 PRO HD2 . . 4.540 4.402 4.273 4.466 . 0 0 "[ . 1 . 2]" 1
899 1 43 TRP HD1 2 31 ALA MB . . 4.700 3.621 3.487 3.823 . 0 0 "[ . 1 . 2]" 1
900 1 43 TRP HD1 2 32 PRO HD2 . . 4.790 3.641 3.478 3.871 . 0 0 "[ . 1 . 2]" 1
901 1 43 TRP HD1 2 36 ALA H . . 4.080 3.981 3.894 4.077 . 0 0 "[ . 1 . 2]" 1
902 1 43 TRP HD1 2 36 ALA MB . . 4.560 3.588 3.486 3.687 . 0 0 "[ . 1 . 2]" 1
903 1 43 TRP HE1 2 32 PRO HB2 . . 4.580 4.364 4.272 4.422 . 0 0 "[ . 1 . 2]" 1
904 1 43 TRP HE1 2 32 PRO HB3 . . 5.500 5.327 5.223 5.409 . 0 0 "[ . 1 . 2]" 1
905 1 43 TRP HE1 2 34 TRP H . . 4.430 4.034 3.975 4.087 . 0 0 "[ . 1 . 2]" 1
906 1 43 TRP HE1 2 36 ALA H . . 3.400 3.276 3.227 3.328 . 0 0 "[ . 1 . 2]" 1
907 1 43 TRP HE1 2 36 ALA MB . . 4.570 3.573 3.494 3.650 . 0 0 "[ . 1 . 2]" 1
908 1 43 TRP HE3 1 56 TRP HA . . 4.490 4.368 4.275 4.440 . 0 0 "[ . 1 . 2]" 1
909 1 43 TRP HE3 1 56 TRP HB2 . . 4.840 3.987 3.881 4.154 . 0 0 "[ . 1 . 2]" 1
910 1 43 TRP HE3 1 56 TRP HB3 . . 4.210 2.777 2.710 2.877 . 0 0 "[ . 1 . 2]" 1
911 1 43 TRP HE3 1 57 PHE HA . . 4.250 2.806 2.720 2.881 . 0 0 "[ . 1 . 2]" 1
912 1 43 TRP HE3 1 58 PRO HD3 . . 5.160 3.352 3.267 3.447 . 0 0 "[ . 1 . 2]" 1
913 1 43 TRP HH2 1 58 PRO QG . . 5.400 4.984 4.915 5.082 . 0 0 "[ . 1 . 2]" 1
914 1 43 TRP HH2 2 34 TRP HE1 . . 3.070 2.762 2.490 2.885 . 0 0 "[ . 1 . 2]" 1
915 1 43 TRP HH2 2 36 ALA HA . . 4.460 3.431 3.321 3.582 . 0 0 "[ . 1 . 2]" 1
916 1 43 TRP HH2 2 37 PRO HD2 . . 4.260 3.258 3.176 3.354 . 0 0 "[ . 1 . 2]" 1
917 1 43 TRP HH2 2 37 PRO HD3 . . 4.450 2.892 2.756 3.058 . 0 0 "[ . 1 . 2]" 1
918 1 43 TRP HH2 2 37 PRO HG2 . . 5.420 4.788 4.655 4.917 . 0 0 "[ . 1 . 2]" 1
919 1 43 TRP HH2 2 37 PRO HG3 . . 5.260 3.914 3.764 4.036 . 0 0 "[ . 1 . 2]" 1
920 1 43 TRP HZ2 2 32 PRO HB2 . . 5.400 4.059 3.993 4.143 . 0 0 "[ . 1 . 2]" 1
921 1 43 TRP HZ2 2 32 PRO HB3 . . 5.320 4.799 4.722 4.870 . 0 0 "[ . 1 . 2]" 1
922 1 43 TRP HZ2 2 34 TRP HD1 . . 3.610 3.019 2.915 3.131 . 0 0 "[ . 1 . 2]" 1
923 1 43 TRP HZ2 2 34 TRP HE1 . . 3.360 2.674 2.532 2.745 . 0 0 "[ . 1 . 2]" 1
924 1 43 TRP HZ2 2 36 ALA HA . . 3.780 2.773 2.706 2.831 . 0 0 "[ . 1 . 2]" 1
925 1 43 TRP HZ2 2 36 ALA MB . . 4.730 3.916 3.816 4.001 . 0 0 "[ . 1 . 2]" 1
926 1 43 TRP HZ2 2 37 PRO HD2 . . 4.290 4.225 4.094 4.289 . 0 0 "[ . 1 . 2]" 1
927 1 43 TRP HZ2 2 37 PRO HD3 . . 4.510 3.510 3.311 3.601 . 0 0 "[ . 1 . 2]" 1
928 1 43 TRP HZ3 1 57 PHE HA . . 3.860 2.864 2.760 2.940 . 0 0 "[ . 1 . 2]" 1
929 1 43 TRP HZ3 1 58 PRO HD2 . . 4.830 3.839 3.753 3.932 . 0 0 "[ . 1 . 2]" 1
930 1 43 TRP HZ3 1 58 PRO HD3 . . 3.860 2.255 2.169 2.322 . 0 0 "[ . 1 . 2]" 1
931 1 43 TRP HZ3 2 36 ALA HA . . 5.500 4.350 4.167 4.543 . 0 0 "[ . 1 . 2]" 1
932 1 43 TRP HZ3 2 37 PRO HD2 . . 5.180 3.519 3.375 3.731 . 0 0 "[ . 1 . 2]" 1
933 1 43 TRP HZ3 2 37 PRO HD3 . . 5.150 4.323 4.195 4.533 . 0 0 "[ . 1 . 2]" 1
934 1 44 LEU H 1 44 LEU HB2 . . 3.760 2.314 2.243 2.377 . 0 0 "[ . 1 . 2]" 1
935 1 44 LEU H 1 44 LEU HB3 . . 4.000 3.542 3.500 3.592 . 0 0 "[ . 1 . 2]" 1
936 1 44 LEU H 1 44 LEU QD . . 4.390 3.663 3.607 3.724 . 0 0 "[ . 1 . 2]" 1
937 1 44 LEU H 1 44 LEU HG . . 4.220 3.441 3.369 3.549 . 0 0 "[ . 1 . 2]" 1
938 1 44 LEU H 1 45 TYR HA . . 5.250 5.127 5.024 5.241 . 0 0 "[ . 1 . 2]" 1
939 1 44 LEU H 1 56 TRP HA . . 4.730 4.603 4.427 4.835 0.105 4 0 "[ . 1 . 2]" 1
940 1 44 LEU H 1 56 TRP HE3 . . 4.580 3.707 3.471 3.979 . 0 0 "[ . 1 . 2]" 1
941 1 44 LEU H 1 57 PHE H . . 4.230 2.929 2.788 3.128 . 0 0 "[ . 1 . 2]" 1
942 1 44 LEU HB2 1 45 TYR H . . 4.510 3.928 3.869 4.007 . 0 0 "[ . 1 . 2]" 1
943 1 44 LEU HB2 1 57 PHE QD . . 4.750 3.903 3.824 3.995 . 0 0 "[ . 1 . 2]" 1
944 1 44 LEU HB2 1 57 PHE QE . . 4.220 3.227 3.178 3.284 . 0 0 "[ . 1 . 2]" 1
945 1 44 LEU HB2 1 59 SER HA . . 4.160 3.125 2.881 3.485 . 0 0 "[ . 1 . 2]" 1
946 1 44 LEU HB3 1 45 TYR H . . 3.940 2.601 2.528 2.721 . 0 0 "[ . 1 . 2]" 1
947 1 44 LEU HB3 1 46 GLY H . . 4.950 4.752 4.728 4.782 . 0 0 "[ . 1 . 2]" 1
948 1 44 LEU HB3 1 56 TRP HE3 . . 5.500 5.305 5.242 5.377 . 0 0 "[ . 1 . 2]" 1
949 1 44 LEU HB3 1 57 PHE H . . 5.500 4.717 4.649 4.784 . 0 0 "[ . 1 . 2]" 1
950 1 44 LEU HB3 1 57 PHE QE . . 4.530 2.769 2.637 2.900 . 0 0 "[ . 1 . 2]" 1
951 1 44 LEU QD 1 45 TYR H . . 4.070 2.721 2.650 2.857 . 0 0 "[ . 1 . 2]" 1
952 1 44 LEU QD 1 57 PHE QD . . 5.210 4.332 4.215 4.468 . 0 0 "[ . 1 . 2]" 1
953 1 44 LEU QD 1 57 PHE QE . . 3.800 3.035 2.888 3.152 . 0 0 "[ . 1 . 2]" 1
954 1 44 LEU QD 1 59 SER H . . 4.310 4.082 3.912 4.218 . 0 0 "[ . 1 . 2]" 1
955 1 44 LEU QD 1 59 SER HA . . 2.840 2.251 2.166 2.357 . 0 0 "[ . 1 . 2]" 1
956 1 44 LEU QD 1 59 SER QB . . 2.950 2.262 2.051 2.447 . 0 0 "[ . 1 . 2]" 1
957 1 44 LEU MD1 1 45 TYR H . . 5.030 4.391 4.309 4.491 . 0 0 "[ . 1 . 2]" 1
958 1 44 LEU MD2 1 45 TYR H . . 5.030 2.748 2.673 2.890 . 0 0 "[ . 1 . 2]" 1
959 1 44 LEU HG 1 45 TYR H . . 4.760 4.454 4.378 4.562 . 0 0 "[ . 1 . 2]" 1
960 1 44 LEU HG 1 59 SER H . . 4.970 4.317 4.175 4.438 . 0 0 "[ . 1 . 2]" 1
961 1 44 LEU HG 1 59 SER HA . . 4.540 3.765 3.437 3.998 . 0 0 "[ . 1 . 2]" 1
962 1 44 LEU HG 1 59 SER HB2 . . 4.000 2.892 2.144 3.841 . 0 0 "[ . 1 . 2]" 1
963 1 44 LEU HG 1 59 SER QB . . 3.460 2.249 2.132 2.551 . 0 0 "[ . 1 . 2]" 1
964 1 44 LEU HG 1 59 SER HB3 . . 4.000 2.931 2.182 3.816 . 0 0 "[ . 1 . 2]" 1
965 1 45 TYR H 1 45 TYR QB . . 3.870 2.466 2.433 2.492 . 0 0 "[ . 1 . 2]" 1
966 1 45 TYR H 1 45 TYR QD . . 4.600 4.347 4.325 4.376 . 0 0 "[ . 1 . 2]" 1
967 1 45 TYR H 1 46 GLY HA2 . . 5.330 4.882 4.842 4.929 . 0 0 "[ . 1 . 2]" 1
968 1 45 TYR H 1 46 GLY HA3 . . 5.500 4.981 4.885 5.034 . 0 0 "[ . 1 . 2]" 1
969 1 45 TYR HA 1 45 TYR QD . . 3.790 2.545 2.444 2.680 . 0 0 "[ . 1 . 2]" 1
970 1 45 TYR HA 1 46 GLY H . . 3.240 2.107 2.092 2.120 . 0 0 "[ . 1 . 2]" 1
971 1 45 TYR HA 1 56 TRP HA . . 3.310 2.704 2.625 2.806 . 0 0 "[ . 1 . 2]" 1
972 1 45 TYR HA 1 57 PHE H . . 4.490 3.806 3.684 3.885 . 0 0 "[ . 1 . 2]" 1
973 1 45 TYR HA 1 57 PHE QD . . 4.390 3.228 3.075 3.373 . 0 0 "[ . 1 . 2]" 1
974 1 45 TYR QB 1 46 GLY H . . 4.670 3.809 3.780 3.849 . 0 0 "[ . 1 . 2]" 1
975 1 45 TYR QB 1 56 TRP HA . . 4.570 3.538 3.398 3.702 . 0 0 "[ . 1 . 2]" 1
976 1 45 TYR QB 1 56 TRP HH2 . . 4.570 3.781 3.676 3.884 . 0 0 "[ . 1 . 2]" 1
977 1 45 TYR QB 1 57 PHE QE . . 5.480 4.840 4.813 4.872 . 0 0 "[ . 1 . 2]" 1
978 1 45 TYR QB 2 28 ILE MG . . 4.590 3.010 2.892 3.112 . 0 0 "[ . 1 . 2]" 1
979 1 45 TYR QB 2 29 PRO HG2 . . 5.240 5.346 5.207 5.611 0.371 16 0 "[ . 1 . 2]" 1
980 1 45 TYR QD 1 56 TRP HA . . 4.080 2.967 2.831 3.077 . 0 0 "[ . 1 . 2]" 1
981 1 45 TYR QD 2 28 ILE MD . . 4.600 2.820 2.496 3.206 . 0 0 "[ . 1 . 2]" 1
982 1 45 TYR QD 2 28 ILE QG . . 4.880 2.962 2.741 3.191 . 0 0 "[ . 1 . 2]" 1
983 1 45 TYR QD 2 28 ILE MG . . 5.050 2.972 2.911 3.034 . 0 0 "[ . 1 . 2]" 1
984 1 45 TYR QE 1 46 GLY HA2 . . 5.060 5.556 5.515 5.587 0.527 8 7 "[*** . + * . - *]" 1
985 1 45 TYR QE 1 54 ARG HB3 . . 4.560 2.990 2.781 3.129 . 0 0 "[ . 1 . 2]" 1
986 1 45 TYR QE 1 54 ARG HD2 . . 4.760 4.236 3.646 4.785 0.025 18 0 "[ . 1 . 2]" 1
987 1 45 TYR QE 1 54 ARG HD3 . . 4.760 4.343 3.247 4.925 0.165 14 0 "[ . 1 . 2]" 1
988 1 45 TYR QE 1 55 GLY HA2 . . 4.010 2.447 2.386 2.509 . 0 0 "[ . 1 . 2]" 1
989 1 45 TYR QE 1 56 TRP H . . 5.500 4.156 4.014 4.267 . 0 0 "[ . 1 . 2]" 1
990 1 45 TYR QE 2 28 ILE HA . . 4.680 3.544 3.387 3.738 . 0 0 "[ . 1 . 2]" 1
991 1 45 TYR QE 2 28 ILE MD . . 4.250 3.726 3.405 4.049 . 0 0 "[ . 1 . 2]" 1
992 1 45 TYR QE 2 28 ILE QG . . 4.020 2.547 2.392 2.687 . 0 0 "[ . 1 . 2]" 1
993 1 45 TYR QE 2 28 ILE MG . . 4.100 3.329 3.222 3.416 . 0 0 "[ . 1 . 2]" 1
994 1 45 TYR QE 2 29 PRO HD2 . . 4.060 2.959 2.754 3.109 . 0 0 "[ . 1 . 2]" 1
995 1 45 TYR QE 2 29 PRO HD3 . . 4.610 3.457 3.351 3.571 . 0 0 "[ . 1 . 2]" 1
996 1 45 TYR QE 2 29 PRO HG2 . . 4.410 3.501 3.283 3.701 . 0 0 "[ . 1 . 2]" 1
997 1 45 TYR QE 2 29 PRO HG3 . . 4.600 3.078 2.953 3.393 . 0 0 "[ . 1 . 2]" 1
998 1 46 GLY H 1 56 TRP HA . . 4.690 4.237 4.130 4.406 . 0 0 "[ . 1 . 2]" 1
999 1 46 GLY H 1 57 PHE QD . . 4.160 3.055 2.849 3.174 . 0 0 "[ . 1 . 2]" 1
1000 1 46 GLY HA2 1 47 GLU H . . 3.400 2.424 2.367 2.478 . 0 0 "[ . 1 . 2]" 1
1001 1 46 GLY HA2 1 57 PHE QE . . 5.500 3.734 3.677 3.791 . 0 0 "[ . 1 . 2]" 1
1002 1 46 GLY HA3 1 47 GLU H . . 3.460 2.601 2.543 2.667 . 0 0 "[ . 1 . 2]" 1
1003 1 46 GLY HA3 1 57 PHE QD . . 5.500 4.216 4.035 4.349 . 0 0 "[ . 1 . 2]" 1
1004 1 46 GLY HA3 1 57 PHE QE . . 5.020 2.437 2.353 2.515 . 0 0 "[ . 1 . 2]" 1
1005 1 47 GLU H 1 47 GLU HB2 . . 4.050 3.222 3.162 3.253 . 0 0 "[ . 1 . 2]" 1
1006 1 47 GLU H 1 47 GLU HB3 . . 3.380 2.639 2.600 2.709 . 0 0 "[ . 1 . 2]" 1
1007 1 47 GLU H 1 47 GLU QG . . 4.420 4.040 3.999 4.063 . 0 0 "[ . 1 . 2]" 1
1008 1 47 GLU H 1 48 HIS H . . 4.470 4.261 4.192 4.325 . 0 0 "[ . 1 . 2]" 1
1009 1 47 GLU HA 1 47 GLU QG . . 3.670 2.446 2.390 2.490 . 0 0 "[ . 1 . 2]" 1
1010 1 47 GLU HA 1 48 HIS H . . 3.210 2.102 2.078 2.143 . 0 0 "[ . 1 . 2]" 1
1011 1 47 GLU HA 1 48 HIS HB2 . . 4.330 4.150 4.106 4.188 . 0 0 "[ . 1 . 2]" 1
1012 1 47 GLU HA 1 48 HIS HB3 . . 5.120 4.794 4.710 4.958 . 0 0 "[ . 1 . 2]" 1
1013 1 47 GLU HA 1 53 ALA HA . . 5.400 5.317 5.261 5.386 . 0 0 "[ . 1 . 2]" 1
1014 1 47 GLU HA 1 54 ARG H . . 4.940 4.904 4.843 4.985 0.045 18 0 "[ . 1 . 2]" 1
1015 1 47 GLU HA 1 54 ARG HA . . 3.390 2.787 2.652 2.910 . 0 0 "[ . 1 . 2]" 1
1016 1 47 GLU HA 1 54 ARG HB3 . . 4.200 4.593 4.504 4.680 0.480 8 0 "[ . 1 . 2]" 1
1017 1 47 GLU HA 1 54 ARG HG2 . . 3.650 2.803 2.600 2.940 . 0 0 "[ . 1 . 2]" 1
1018 1 47 GLU HA 1 54 ARG HG3 . . 4.020 3.238 2.864 3.475 . 0 0 "[ . 1 . 2]" 1
1019 1 47 GLU HB2 1 48 HIS H . . 4.770 4.245 4.193 4.298 . 0 0 "[ . 1 . 2]" 1
1020 1 47 GLU HB2 1 54 ARG HG2 . . 3.510 2.356 2.290 2.463 . 0 0 "[ . 1 . 2]" 1
1021 1 47 GLU HB3 1 48 HIS H . . 4.860 4.381 4.356 4.401 . 0 0 "[ . 1 . 2]" 1
1022 1 47 GLU HB3 1 52 LYS HA . . 5.500 5.313 4.929 5.568 0.068 11 0 "[ . 1 . 2]" 1
1023 1 47 GLU QG 1 48 HIS H . . 3.570 2.916 2.828 3.019 . 0 0 "[ . 1 . 2]" 1
1024 1 47 GLU QG 1 48 HIS HB2 . . 5.020 4.615 4.516 4.713 . 0 0 "[ . 1 . 2]" 1
1025 1 47 GLU QG 1 49 ASP HA . . 4.830 4.304 4.149 4.384 . 0 0 "[ . 1 . 2]" 1
1026 1 47 GLU QG 1 52 LYS H . . 4.930 4.321 4.051 4.506 . 0 0 "[ . 1 . 2]" 1
1027 1 47 GLU QG 1 52 LYS HA . . 3.170 2.582 2.256 2.825 . 0 0 "[ . 1 . 2]" 1
1028 1 47 GLU QG 1 53 ALA H . . 4.350 4.227 3.980 4.341 . 0 0 "[ . 1 . 2]" 1
1029 1 47 GLU QG 1 53 ALA HA . . 4.840 4.554 4.520 4.576 . 0 0 "[ . 1 . 2]" 1
1030 1 47 GLU QG 1 53 ALA MB . . 5.500 4.877 4.709 4.956 . 0 0 "[ . 1 . 2]" 1
1031 1 47 GLU QG 1 54 ARG HA . . 4.660 4.215 4.028 4.369 . 0 0 "[ . 1 . 2]" 1
1032 1 47 GLU QG 1 54 ARG QD . . 5.280 4.092 3.445 4.616 . 0 0 "[ . 1 . 2]" 1
1033 1 47 GLU QG 1 54 ARG HG2 . . 3.980 3.353 3.136 3.471 . 0 0 "[ . 1 . 2]" 1
1034 1 48 HIS H 1 48 HIS HB2 . . 3.490 2.156 2.134 2.180 . 0 0 "[ . 1 . 2]" 1
1035 1 48 HIS H 1 48 HIS HB3 . . 3.540 2.744 2.679 2.844 . 0 0 "[ . 1 . 2]" 1
1036 1 48 HIS H 1 49 ASP H . . 4.770 4.715 4.691 4.745 . 0 0 "[ . 1 . 2]" 1
1037 1 48 HIS H 1 52 LYS HA . . 3.970 3.697 3.430 3.884 . 0 0 "[ . 1 . 2]" 1
1038 1 48 HIS H 1 53 ALA H . . 4.090 3.677 3.525 3.795 . 0 0 "[ . 1 . 2]" 1
1039 1 48 HIS H 1 53 ALA MB . . 4.360 3.992 3.775 4.140 . 0 0 "[ . 1 . 2]" 1
1040 1 48 HIS H 1 54 ARG HA . . 4.080 3.828 3.747 3.945 . 0 0 "[ . 1 . 2]" 1
1041 1 48 HIS H 1 54 ARG HG2 . . 4.620 4.659 4.460 4.796 0.176 9 0 "[ . 1 . 2]" 1
1042 1 48 HIS HA 1 48 HIS HD2 . . 4.380 3.527 2.601 4.040 . 0 0 "[ . 1 . 2]" 1
1043 1 48 HIS HA 1 49 ASP H . . 3.130 2.293 2.216 2.375 . 0 0 "[ . 1 . 2]" 1
1044 1 48 HIS HA 1 49 ASP QB . . 4.520 4.082 4.045 4.178 . 0 0 "[ . 1 . 2]" 1
1045 1 48 HIS HB2 1 48 HIS HD2 . . 3.920 2.645 2.545 2.938 . 0 0 "[ . 1 . 2]" 1
1046 1 48 HIS HB2 1 51 SER H . . 5.030 4.328 4.243 4.450 . 0 0 "[ . 1 . 2]" 1
1047 1 48 HIS HB2 1 52 LYS H . . 4.160 4.223 4.193 4.276 0.116 8 0 "[ . 1 . 2]" 1
1048 1 48 HIS HB2 1 52 LYS HA . . 4.900 4.598 4.459 4.679 . 0 0 "[ . 1 . 2]" 1
1049 1 48 HIS HB2 1 53 ALA H . . 3.900 3.451 3.291 3.670 . 0 0 "[ . 1 . 2]" 1
1050 1 48 HIS HB2 1 53 ALA MB . . 4.020 3.314 2.959 3.643 . 0 0 "[ . 1 . 2]" 1
1051 1 48 HIS HB2 1 54 ARG HA . . 4.950 5.083 4.941 5.213 0.263 4 0 "[ . 1 . 2]" 1
1052 1 48 HIS HB3 1 50 VAL H . . 4.460 4.271 3.640 4.517 0.057 1 0 "[ . 1 . 2]" 1
1053 1 48 HIS HB3 1 51 SER H . . 4.030 2.829 2.572 3.006 . 0 0 "[ . 1 . 2]" 1
1054 1 48 HIS HB3 1 52 LYS H . . 3.920 2.521 2.456 2.662 . 0 0 "[ . 1 . 2]" 1
1055 1 48 HIS HB3 1 52 LYS HA . . 4.190 3.401 3.253 3.643 . 0 0 "[ . 1 . 2]" 1
1056 1 48 HIS HB3 1 53 ALA H . . 3.740 2.579 2.430 2.791 . 0 0 "[ . 1 . 2]" 1
1057 1 48 HIS HB3 1 53 ALA MB . . 3.980 3.461 3.238 3.694 . 0 0 "[ . 1 . 2]" 1
1058 1 48 HIS HE1 1 49 ASP QB . . 5.500 4.838 4.459 5.521 0.021 7 0 "[ . 1 . 2]" 1
1059 1 48 HIS HE1 1 50 VAL H . . 3.650 3.325 3.129 3.773 0.123 13 0 "[ . 1 . 2]" 1
1060 1 48 HIS HE1 1 50 VAL HA . . 5.010 5.245 5.071 5.469 0.459 8 0 "[ . 1 . 2]" 1
1061 1 48 HIS HE1 1 50 VAL HB . . 2.910 2.541 2.417 2.757 . 0 0 "[ . 1 . 2]" 1
1062 1 48 HIS HE1 1 50 VAL MG1 . . 3.880 3.920 3.699 3.992 0.112 4 0 "[ . 1 . 2]" 1
1063 1 48 HIS HE1 1 50 VAL MG2 . . 3.400 2.921 2.693 3.164 . 0 0 "[ . 1 . 2]" 1
1064 1 48 HIS HE1 1 51 SER H . . 4.080 3.930 3.543 4.610 0.530 6 3 "[ .+ * 1 - . 2]" 1
1065 1 48 HIS HE1 1 51 SER QB . . 4.920 4.533 4.117 4.979 0.059 18 0 "[ . 1 . 2]" 1
1066 1 49 ASP H 1 49 ASP QB . . 3.290 2.207 2.106 2.403 . 0 0 "[ . 1 . 2]" 1
1067 1 49 ASP H 1 50 VAL H . . 3.910 2.764 2.446 2.866 . 0 0 "[ . 1 . 2]" 1
1068 1 49 ASP HA 1 50 VAL MG2 . . 5.100 4.939 4.843 5.006 . 0 0 "[ . 1 . 2]" 1
1069 1 49 ASP HA 1 52 LYS H . . 4.260 4.152 3.807 4.274 0.014 10 0 "[ . 1 . 2]" 1
1070 1 49 ASP HA 1 52 LYS HD2 . . 4.230 3.621 2.425 4.068 . 0 0 "[ . 1 . 2]" 1
1071 1 49 ASP HA 1 52 LYS QD . . 3.420 2.718 2.406 2.893 . 0 0 "[ . 1 . 2]" 1
1072 1 49 ASP HA 1 52 LYS HD3 . . 4.230 3.036 2.559 4.111 . 0 0 "[ . 1 . 2]" 1
1073 1 49 ASP HA 1 52 LYS HE2 . . 5.500 4.182 3.135 5.564 0.064 4 0 "[ . 1 . 2]" 1
1074 1 49 ASP HA 1 52 LYS HE3 . . 5.500 4.448 3.474 5.523 0.023 13 0 "[ . 1 . 2]" 1
1075 1 49 ASP QB 1 50 VAL H . . 4.020 2.545 2.331 3.255 . 0 0 "[ . 1 . 2]" 1
1076 1 49 ASP QB 1 50 VAL HA . . 4.530 4.302 4.062 4.515 . 0 0 "[ . 1 . 2]" 1
1077 1 49 ASP QB 1 50 VAL MG2 . . 3.650 3.130 2.973 3.745 0.095 4 0 "[ . 1 . 2]" 1
1078 1 50 VAL H 1 50 VAL HB . . 3.360 2.536 2.377 2.616 . 0 0 "[ . 1 . 2]" 1
1079 1 50 VAL H 1 50 VAL MG2 . . 3.120 2.122 2.053 2.260 . 0 0 "[ . 1 . 2]" 1
1080 1 50 VAL H 1 52 LYS H . . 4.380 4.099 3.757 4.228 . 0 0 "[ . 1 . 2]" 1
1081 1 50 VAL HA 1 50 VAL MG1 . . 2.780 2.451 2.415 2.549 . 0 0 "[ . 1 . 2]" 1
1082 1 50 VAL HA 1 50 VAL MG2 . . 2.700 2.388 2.320 2.438 . 0 0 "[ . 1 . 2]" 1
1083 1 50 VAL HA 1 52 LYS H . . 4.680 4.603 4.484 4.793 0.113 13 0 "[ . 1 . 2]" 1
1084 1 50 VAL HB 1 51 SER H . . 3.120 2.623 2.438 2.849 . 0 0 "[ . 1 . 2]" 1
1085 1 50 VAL HB 1 51 SER HA . . 4.380 4.525 4.395 4.679 0.299 20 0 "[ . 1 . 2]" 1
1086 1 50 VAL HB 1 52 LYS H . . 4.800 4.818 4.749 4.864 0.064 6 0 "[ . 1 . 2]" 1
1087 1 50 VAL MG1 1 51 SER H . . 3.410 3.402 3.216 3.668 0.258 13 0 "[ . 1 . 2]" 1
1088 1 50 VAL MG1 1 51 SER HA . . 3.610 3.495 3.318 3.852 0.242 7 0 "[ . 1 . 2]" 1
1089 1 50 VAL MG1 1 51 SER HB2 . . 4.920 3.801 3.153 4.857 . 0 0 "[ . 1 . 2]" 1
1090 1 50 VAL MG1 1 51 SER QB . . 4.110 3.533 3.097 4.253 0.143 11 0 "[ . 1 . 2]" 1
1091 1 50 VAL MG1 1 51 SER HB3 . . 4.920 4.622 3.609 4.894 . 0 0 "[ . 1 . 2]" 1
1092 1 51 SER H 1 51 SER HB2 . . 3.910 2.721 2.475 3.623 . 0 0 "[ . 1 . 2]" 1
1093 1 51 SER H 1 51 SER QB . . 3.320 2.373 2.220 2.593 . 0 0 "[ . 1 . 2]" 1
1094 1 51 SER H 1 51 SER HB3 . . 3.910 2.749 2.472 3.608 . 0 0 "[ . 1 . 2]" 1
1095 1 51 SER H 1 52 LYS H . . 3.370 2.358 2.014 2.525 . 0 0 "[ . 1 . 2]" 1
1096 1 51 SER H 1 53 ALA H . . 4.640 3.955 3.697 4.069 . 0 0 "[ . 1 . 2]" 1
1097 1 51 SER HA 1 53 ALA H . . 4.730 4.271 4.139 4.384 . 0 0 "[ . 1 . 2]" 1
1098 1 51 SER HA 1 53 ALA MB . . 4.840 4.745 4.605 4.900 0.060 8 0 "[ . 1 . 2]" 1
1099 1 51 SER QB 1 52 LYS H . . 4.390 3.186 2.995 3.725 . 0 0 "[ . 1 . 2]" 1
1100 1 51 SER QB 1 53 ALA H . . 4.140 2.623 2.416 3.272 . 0 0 "[ . 1 . 2]" 1
1101 1 51 SER QB 1 53 ALA MB . . 3.730 2.782 2.623 3.053 . 0 0 "[ . 1 . 2]" 1
1102 1 51 SER HB2 1 53 ALA MB . . 4.340 3.825 2.846 4.300 . 0 0 "[ . 1 . 2]" 1
1103 1 51 SER HB3 1 53 ALA MB . . 4.340 2.992 2.769 4.188 . 0 0 "[ . 1 . 2]" 1
1104 1 52 LYS H 1 52 LYS HA . . 2.860 2.269 2.253 2.289 . 0 0 "[ . 1 . 2]" 1
1105 1 52 LYS H 1 52 LYS QD . . 3.620 2.762 2.187 3.359 . 0 0 "[ . 1 . 2]" 1
1106 1 52 LYS H 1 52 LYS QG . . 3.730 3.084 2.619 3.733 0.003 6 0 "[ . 1 . 2]" 1
1107 1 52 LYS H 1 53 ALA H . . 3.550 2.769 2.731 2.808 . 0 0 "[ . 1 . 2]" 1
1108 1 52 LYS H 1 53 ALA MB . . 4.390 4.409 4.366 4.433 0.043 2 0 "[ . 1 . 2]" 1
1109 1 52 LYS HA 1 52 LYS HD2 . . 3.390 2.771 2.088 3.531 0.141 6 0 "[ . 1 . 2]" 1
1110 1 52 LYS HA 1 52 LYS QD . . 2.930 2.367 2.074 2.803 . 0 0 "[ . 1 . 2]" 1
1111 1 52 LYS HA 1 52 LYS HD3 . . 3.390 2.774 2.416 3.545 0.155 11 0 "[ . 1 . 2]" 1
1112 1 52 LYS HA 1 52 LYS HE2 . . 5.500 4.644 3.651 5.229 . 0 0 "[ . 1 . 2]" 1
1113 1 52 LYS HA 1 52 LYS QE . . 4.830 4.167 3.447 4.625 . 0 0 "[ . 1 . 2]" 1
1114 1 52 LYS HA 1 52 LYS HE3 . . 5.500 4.747 4.234 5.156 . 0 0 "[ . 1 . 2]" 1
1115 1 52 LYS HA 1 52 LYS HG2 . . 4.120 3.319 2.960 3.693 . 0 0 "[ . 1 . 2]" 1
1116 1 52 LYS HA 1 52 LYS QG . . 3.430 2.882 2.203 3.152 . 0 0 "[ . 1 . 2]" 1
1117 1 52 LYS HA 1 52 LYS HG3 . . 4.120 3.463 2.227 3.872 . 0 0 "[ . 1 . 2]" 1
1118 1 52 LYS QB 1 52 LYS QD . . 3.260 2.465 2.333 2.751 . 0 0 "[ . 1 . 2]" 1
1119 1 52 LYS QB 1 52 LYS QE . . 4.250 3.330 2.265 3.883 . 0 0 "[ . 1 . 2]" 1
1120 1 52 LYS QB 1 53 ALA MB . . 5.240 4.738 4.655 4.885 . 0 0 "[ . 1 . 2]" 1
1121 1 52 LYS HB2 1 52 LYS HE2 . . 5.500 4.656 2.346 5.549 0.049 5 0 "[ . 1 . 2]" 1
1122 1 52 LYS HB2 1 52 LYS HE3 . . 5.500 4.575 2.606 5.535 0.035 14 0 "[ . 1 . 2]" 1
1123 1 52 LYS HB3 1 52 LYS HE2 . . 5.500 4.358 2.308 5.514 0.014 20 0 "[ . 1 . 2]" 1
1124 1 52 LYS HB3 1 52 LYS HE3 . . 5.500 4.356 3.800 4.938 . 0 0 "[ . 1 . 2]" 1
1125 1 52 LYS QE 1 52 LYS QG . . 3.230 2.351 2.069 2.722 . 0 0 "[ . 1 . 2]" 1
1126 1 53 ALA H 1 53 ALA MB . . 2.950 2.202 2.181 2.223 . 0 0 "[ . 1 . 2]" 1
1127 1 53 ALA HA 1 54 ARG H . . 2.790 2.227 2.198 2.282 . 0 0 "[ . 1 . 2]" 1
1128 1 53 ALA HA 1 54 ARG HA . . 4.430 4.488 4.481 4.495 0.065 14 0 "[ . 1 . 2]" 1
1129 1 53 ALA HA 1 54 ARG HB2 . . 4.660 4.325 4.175 4.423 . 0 0 "[ . 1 . 2]" 1
1130 1 53 ALA HA 1 54 ARG HG3 . . 5.180 3.830 3.656 3.975 . 0 0 "[ . 1 . 2]" 1
1131 1 53 ALA MB 1 54 ARG H . . 3.130 2.657 2.491 2.858 . 0 0 "[ . 1 . 2]" 1
1132 1 53 ALA MB 1 54 ARG HG3 . . 5.500 4.769 4.657 4.856 . 0 0 "[ . 1 . 2]" 1
1133 1 54 ARG H 1 54 ARG HB2 . . 3.470 2.534 2.445 2.648 . 0 0 "[ . 1 . 2]" 1
1134 1 54 ARG H 1 54 ARG HB3 . . 4.050 3.721 3.664 3.793 . 0 0 "[ . 1 . 2]" 1
1135 1 54 ARG H 1 54 ARG QD . . 5.290 4.458 4.214 4.588 . 0 0 "[ . 1 . 2]" 1
1136 1 54 ARG H 1 54 ARG HG2 . . 4.380 4.255 4.135 4.396 0.016 14 0 "[ . 1 . 2]" 1
1137 1 54 ARG H 1 54 ARG HG3 . . 3.710 3.180 3.023 3.360 . 0 0 "[ . 1 . 2]" 1
1138 1 54 ARG H 1 55 GLY H . . 4.530 4.454 4.398 4.492 . 0 0 "[ . 1 . 2]" 1
1139 1 54 ARG HA 1 54 ARG HD2 . . 4.780 4.488 4.364 4.694 . 0 0 "[ . 1 . 2]" 1
1140 1 54 ARG HA 1 54 ARG QD . . 4.200 4.033 3.946 4.127 . 0 0 "[ . 1 . 2]" 1
1141 1 54 ARG HA 1 54 ARG HD3 . . 4.780 4.592 4.285 4.766 . 0 0 "[ . 1 . 2]" 1
1142 1 54 ARG HA 1 54 ARG HG2 . . 3.560 2.524 2.435 2.619 . 0 0 "[ . 1 . 2]" 1
1143 1 54 ARG HA 1 54 ARG HG3 . . 3.520 2.845 2.712 2.974 . 0 0 "[ . 1 . 2]" 1
1144 1 54 ARG HA 1 55 GLY H . . 3.360 2.256 2.218 2.297 . 0 0 "[ . 1 . 2]" 1
1145 1 54 ARG HA 1 55 GLY HA3 . . 4.770 4.453 4.431 4.499 . 0 0 "[ . 1 . 2]" 1
1146 1 54 ARG HB2 1 54 ARG HD2 . . 3.810 2.628 2.261 3.727 . 0 0 "[ . 1 . 2]" 1
1147 1 54 ARG HB2 1 54 ARG HD3 . . 3.810 3.442 2.507 3.741 . 0 0 "[ . 1 . 2]" 1
1148 1 54 ARG HB2 1 55 GLY H . . 4.270 3.872 3.742 4.066 . 0 0 "[ . 1 . 2]" 1
1149 1 54 ARG HB3 1 54 ARG HD2 . . 4.050 2.738 2.429 3.853 . 0 0 "[ . 1 . 2]" 1
1150 1 54 ARG HB3 1 54 ARG QD . . 3.470 2.491 2.365 3.102 . 0 0 "[ . 1 . 2]" 1
1151 1 54 ARG HB3 1 54 ARG HD3 . . 4.050 3.244 2.479 3.732 . 0 0 "[ . 1 . 2]" 1
1152 1 54 ARG HB3 1 55 GLY H . . 3.870 2.652 2.504 2.897 . 0 0 "[ . 1 . 2]" 1
1153 1 54 ARG HG2 1 55 GLY H . . 4.660 3.857 3.787 4.033 . 0 0 "[ . 1 . 2]" 1
1154 1 54 ARG HG3 1 55 GLY H . . 4.550 4.711 4.680 4.770 0.220 12 0 "[ . 1 . 2]" 1
1155 1 55 GLY H 1 57 PHE QD . . 5.320 4.664 4.546 4.774 . 0 0 "[ . 1 . 2]" 1
1156 1 56 TRP H 1 56 TRP HB2 . . 4.090 2.376 2.303 2.425 . 0 0 "[ . 1 . 2]" 1
1157 1 56 TRP H 1 56 TRP HD1 . . 4.130 3.004 2.942 3.063 . 0 0 "[ . 1 . 2]" 1
1158 1 56 TRP H 1 57 PHE H . . 4.790 4.640 4.617 4.662 . 0 0 "[ . 1 . 2]" 1
1159 1 56 TRP HA 1 56 TRP HE3 . . 4.190 2.743 2.641 2.834 . 0 0 "[ . 1 . 2]" 1
1160 1 56 TRP HA 1 57 PHE H . . 3.230 2.271 2.253 2.292 . 0 0 "[ . 1 . 2]" 1
1161 1 56 TRP HA 1 57 PHE HB3 . . 5.210 4.550 4.478 4.597 . 0 0 "[ . 1 . 2]" 1
1162 1 56 TRP HA 1 57 PHE QD . . 4.520 3.429 3.368 3.494 . 0 0 "[ . 1 . 2]" 1
1163 1 56 TRP HB2 2 31 ALA MB . . 5.500 5.508 5.420 5.528 0.028 11 0 "[ . 1 . 2]" 1
1164 1 56 TRP HB2 2 32 PRO HD2 . . 5.170 4.759 4.662 4.877 . 0 0 "[ . 1 . 2]" 1
1165 1 56 TRP HB2 2 32 PRO HD3 . . 5.010 3.829 3.569 3.926 . 0 0 "[ . 1 . 2]" 1
1166 1 56 TRP HB3 2 31 ALA HA . . 5.500 4.798 4.649 4.892 . 0 0 "[ . 1 . 2]" 1
1167 1 56 TRP HB3 2 32 PRO HD2 . . 5.170 4.308 4.120 4.391 . 0 0 "[ . 1 . 2]" 1
1168 1 56 TRP HB3 2 32 PRO HD3 . . 4.950 4.066 3.729 4.172 . 0 0 "[ . 1 . 2]" 1
1169 1 56 TRP HB3 2 32 PRO HG3 . . 5.210 4.666 4.273 4.764 . 0 0 "[ . 1 . 2]" 1
1170 1 56 TRP HD1 2 29 PRO HG2 . . 4.270 3.151 2.890 3.355 . 0 0 "[ . 1 . 2]" 1
1171 1 56 TRP HD1 2 29 PRO HG3 . . 4.960 4.397 4.191 4.558 . 0 0 "[ . 1 . 2]" 1
1172 1 56 TRP HD1 2 31 ALA HA . . 4.570 3.575 3.449 3.664 . 0 0 "[ . 1 . 2]" 1
1173 1 56 TRP HD1 2 32 PRO HD3 . . 5.190 3.726 3.587 4.032 . 0 0 "[ . 1 . 2]" 1
1174 1 56 TRP HE1 2 28 ILE MG . . 4.640 3.339 3.044 3.515 . 0 0 "[ . 1 . 2]" 1
1175 1 56 TRP HE1 2 29 PRO HG2 . . 3.960 2.623 2.556 2.682 . 0 0 "[ . 1 . 2]" 1
1176 1 56 TRP HE1 2 29 PRO HG3 . . 4.800 4.388 4.313 4.456 . 0 0 "[ . 1 . 2]" 1
1177 1 56 TRP HE1 2 31 ALA H . . 4.960 3.867 3.797 3.929 . 0 0 "[ . 1 . 2]" 1
1178 1 56 TRP HE1 2 31 ALA HA . . 4.650 3.053 2.893 3.264 . 0 0 "[ . 1 . 2]" 1
1179 1 56 TRP HE3 1 57 PHE H . . 4.650 3.307 3.216 3.384 . 0 0 "[ . 1 . 2]" 1
1180 1 56 TRP HH2 2 31 ALA MB . . 4.920 3.879 3.735 4.014 . 0 0 "[ . 1 . 2]" 1
1181 1 56 TRP HZ2 2 28 ILE MD . . 4.630 4.560 4.384 4.645 0.015 6 0 "[ . 1 . 2]" 1
1182 1 56 TRP HZ2 2 28 ILE MG . . 3.530 2.424 2.360 2.490 . 0 0 "[ . 1 . 2]" 1
1183 1 56 TRP HZ2 2 30 PRO HA . . 5.110 4.101 3.999 4.289 . 0 0 "[ . 1 . 2]" 1
1184 1 56 TRP HZ2 2 31 ALA HA . . 5.500 4.157 4.035 4.304 . 0 0 "[ . 1 . 2]" 1
1185 1 56 TRP HZ2 2 31 ALA MB . . 4.190 3.213 3.104 3.356 . 0 0 "[ . 1 . 2]" 1
1186 1 57 PHE HA 1 58 PRO HD2 . . 3.800 2.493 2.423 2.532 . 0 0 "[ . 1 . 2]" 1
1187 1 57 PHE HA 1 58 PRO HD3 . . 3.390 2.411 2.378 2.434 . 0 0 "[ . 1 . 2]" 1
1188 1 57 PHE HB2 1 58 PRO HD2 . . 4.020 2.116 2.103 2.137 . 0 0 "[ . 1 . 2]" 1
1189 1 57 PHE HB3 1 58 PRO HD2 . . 3.890 3.571 3.533 3.609 . 0 0 "[ . 1 . 2]" 1
1190 1 57 PHE HB3 1 58 PRO HD3 . . 4.480 4.510 4.503 4.520 0.040 9 0 "[ . 1 . 2]" 1
1191 1 57 PHE QD 1 58 PRO HD2 . . 4.200 3.341 3.253 3.428 . 0 0 "[ . 1 . 2]" 1
1192 1 57 PHE QD 1 61 TYR H . . 4.780 4.293 4.197 4.367 . 0 0 "[ . 1 . 2]" 1
1193 1 57 PHE QD 1 61 TYR HB2 . . 4.010 3.312 3.263 3.371 . 0 0 "[ . 1 . 2]" 1
1194 1 57 PHE QD 1 61 TYR HB3 . . 4.400 4.126 4.104 4.142 . 0 0 "[ . 1 . 2]" 1
1195 1 57 PHE QD 1 62 THR MG . . 3.260 3.024 2.788 3.270 0.010 13 0 "[ . 1 . 2]" 1
1196 1 57 PHE QE 1 62 THR MG . . 3.410 2.139 2.078 2.212 . 0 0 "[ . 1 . 2]" 1
1197 1 58 PRO HA 1 59 SER H . . 3.360 2.190 2.148 2.240 . 0 0 "[ . 1 . 2]" 1
1198 1 58 PRO HA 2 36 ALA MB . . 3.660 2.122 2.083 2.198 . 0 0 "[ . 1 . 2]" 1
1199 1 58 PRO HA 2 37 PRO HD2 . . 4.200 3.896 3.840 3.951 . 0 0 "[ . 1 . 2]" 1
1200 1 58 PRO QB 1 59 SER H . . 4.560 3.499 3.437 3.559 . 0 0 "[ . 1 . 2]" 1
1201 1 58 PRO QB 1 61 TYR H . . 4.200 2.820 2.715 2.928 . 0 0 "[ . 1 . 2]" 1
1202 1 58 PRO QB 1 61 TYR HB2 . . 4.540 3.262 3.171 3.359 . 0 0 "[ . 1 . 2]" 1
1203 1 58 PRO QB 1 61 TYR QD . . 4.190 2.309 2.209 2.413 . 0 0 "[ . 1 . 2]" 1
1204 1 58 PRO QB 1 61 TYR QE . . 4.440 3.563 3.424 3.691 . 0 0 "[ . 1 . 2]" 1
1205 1 58 PRO QB 2 36 ALA H . . 4.940 5.207 5.104 5.258 0.318 6 0 "[ . 1 . 2]" 1
1206 1 58 PRO QB 2 36 ALA HA . . 4.020 3.665 3.568 3.799 . 0 0 "[ . 1 . 2]" 1
1207 1 58 PRO QB 2 36 ALA MB . . 3.490 2.102 2.079 2.122 . 0 0 "[ . 1 . 2]" 1
1208 1 58 PRO QB 2 37 PRO HD2 . . 4.200 2.225 2.180 2.332 . 0 0 "[ . 1 . 2]" 1
1209 1 58 PRO QB 2 37 PRO HD3 . . 4.190 3.863 3.819 3.957 . 0 0 "[ . 1 . 2]" 1
1210 1 58 PRO QB 2 39 PRO HD3 . . 4.780 4.507 4.413 4.637 . 0 0 "[ . 1 . 2]" 1
1211 1 58 PRO HD2 1 61 TYR HB2 . . 4.640 3.709 3.680 3.747 . 0 0 "[ . 1 . 2]" 1
1212 1 58 PRO HD2 1 61 TYR HB3 . . 5.450 4.725 4.713 4.741 . 0 0 "[ . 1 . 2]" 1
1213 1 58 PRO QG 1 61 TYR HB2 . . 4.570 2.226 2.178 2.281 . 0 0 "[ . 1 . 2]" 1
1214 1 58 PRO QG 1 61 TYR HB3 . . 5.270 3.460 3.425 3.522 . 0 0 "[ . 1 . 2]" 1
1215 1 58 PRO QG 1 61 TYR QD . . 4.910 2.597 2.352 2.745 . 0 0 "[ . 1 . 2]" 1
1216 1 58 PRO QG 1 61 TYR QE . . 4.440 3.257 3.196 3.373 . 0 0 "[ . 1 . 2]" 1
1217 1 58 PRO QG 2 36 ALA MB . . 4.160 3.785 3.704 3.874 . 0 0 "[ . 1 . 2]" 1
1218 1 58 PRO QG 2 37 PRO HD2 . . 4.300 2.885 2.848 2.926 . 0 0 "[ . 1 . 2]" 1
1219 1 58 PRO QG 2 37 PRO HD3 . . 4.460 4.258 4.246 4.270 . 0 0 "[ . 1 . 2]" 1
1220 1 58 PRO QG 2 37 PRO HG2 . . 3.890 2.147 2.124 2.176 . 0 0 "[ . 1 . 2]" 1
1221 1 58 PRO QG 2 37 PRO HG3 . . 4.140 3.481 3.372 3.567 . 0 0 "[ . 1 . 2]" 1
1222 1 59 SER H 1 59 SER HB2 . . 4.000 3.113 2.514 3.633 . 0 0 "[ . 1 . 2]" 1
1223 1 59 SER H 1 59 SER HB3 . . 4.000 2.641 2.419 3.577 . 0 0 "[ . 1 . 2]" 1
1224 1 59 SER HA 1 61 TYR H . . 4.550 3.882 3.686 4.051 . 0 0 "[ . 1 . 2]" 1
1225 1 59 SER HA 1 62 THR H . . 4.430 4.043 3.887 4.188 . 0 0 "[ . 1 . 2]" 1
1226 1 60 SER H 1 60 SER QB . . 3.560 2.522 2.122 2.780 . 0 0 "[ . 1 . 2]" 1
1227 1 60 SER H 1 61 TYR H . . 4.110 2.843 2.598 2.996 . 0 0 "[ . 1 . 2]" 1
1228 1 60 SER H 1 62 THR H . . 4.650 4.354 4.257 4.465 . 0 0 "[ . 1 . 2]" 1
1229 1 60 SER HA 1 62 THR H . . 3.880 3.499 3.298 3.694 . 0 0 "[ . 1 . 2]" 1
1230 1 61 TYR H 1 61 TYR HB2 . . 3.520 2.197 2.166 2.233 . 0 0 "[ . 1 . 2]" 1
1231 1 61 TYR H 1 61 TYR HB3 . . 3.700 3.477 3.457 3.496 . 0 0 "[ . 1 . 2]" 1
1232 1 61 TYR H 1 61 TYR QD . . 3.970 2.658 2.553 2.777 . 0 0 "[ . 1 . 2]" 1
1233 1 61 TYR H 1 62 THR H . . 3.750 2.583 2.475 2.673 . 0 0 "[ . 1 . 2]" 1
1234 1 61 TYR H 1 62 THR HA . . 5.500 5.260 5.177 5.332 . 0 0 "[ . 1 . 2]" 1
1235 1 61 TYR H 1 62 THR MG . . 4.120 4.069 3.787 4.266 0.146 6 0 "[ . 1 . 2]" 1
1236 1 61 TYR HA 2 39 PRO HD2 . . 5.310 4.943 4.796 5.234 . 0 0 "[ . 1 . 2]" 1
1237 1 61 TYR HA 2 39 PRO HD3 . . 4.680 3.248 3.099 3.535 . 0 0 "[ . 1 . 2]" 1
1238 1 61 TYR HA 2 39 PRO HG2 . . 5.500 5.233 5.063 5.423 . 0 0 "[ . 1 . 2]" 1
1239 1 61 TYR HA 2 39 PRO HG3 . . 4.680 3.669 3.484 3.873 . 0 0 "[ . 1 . 2]" 1
1240 1 61 TYR HB2 1 62 THR MG . . 3.910 3.637 3.401 3.828 . 0 0 "[ . 1 . 2]" 1
1241 1 61 TYR HB3 1 62 THR MG . . 4.170 3.480 3.290 3.679 . 0 0 "[ . 1 . 2]" 1
1242 1 61 TYR QD 2 39 PRO HA . . 5.260 4.487 4.365 4.597 . 0 0 "[ . 1 . 2]" 1
1243 1 61 TYR QD 2 39 PRO HD2 . . 5.500 4.334 4.127 4.594 . 0 0 "[ . 1 . 2]" 1
1244 1 61 TYR QD 2 39 PRO HD3 . . 4.910 2.843 2.603 3.159 . 0 0 "[ . 1 . 2]" 1
1245 1 61 TYR QE 2 37 PRO QB . . 4.330 2.900 2.783 3.046 . 0 0 "[ . 1 . 2]" 1
1246 1 61 TYR QE 2 37 PRO HG2 . . 4.210 3.023 2.842 3.177 . 0 0 "[ . 1 . 2]" 1
1247 1 61 TYR QE 2 37 PRO HG3 . . 5.090 4.450 4.259 4.660 . 0 0 "[ . 1 . 2]" 1
1248 1 61 TYR QE 2 39 PRO HA . . 3.850 3.654 3.430 3.779 . 0 0 "[ . 1 . 2]" 1
1249 1 61 TYR QE 2 39 PRO QB . . 4.330 4.295 4.069 4.350 0.020 18 0 "[ . 1 . 2]" 1
1250 1 61 TYR QE 2 39 PRO HD2 . . 5.240 4.601 4.468 4.748 . 0 0 "[ . 1 . 2]" 1
1251 1 61 TYR QE 2 39 PRO HD3 . . 4.280 3.652 3.486 3.804 . 0 0 "[ . 1 . 2]" 1
1252 1 61 TYR QE 2 40 PRO QD . . 4.890 4.609 4.054 4.881 . 0 0 "[ . 1 . 2]" 1
1253 1 62 THR H 1 62 THR MG . . 3.740 3.004 2.906 3.111 . 0 0 "[ . 1 . 2]" 1
1254 1 62 THR H 2 39 PRO HD3 . . 5.500 5.308 5.124 5.517 0.017 11 0 "[ . 1 . 2]" 1
1255 1 62 THR HA 1 62 THR MG . . 3.340 2.445 2.391 2.520 . 0 0 "[ . 1 . 2]" 1
1256 1 62 THR HA 1 63 LYS H . . 3.310 2.346 2.267 2.470 . 0 0 "[ . 1 . 2]" 1
1257 1 62 THR HA 1 63 LYS QB . . 4.360 4.384 4.133 4.493 0.133 18 0 "[ . 1 . 2]" 1
1258 1 62 THR HA 1 63 LYS QG . . 4.500 3.645 3.434 4.019 . 0 0 "[ . 1 . 2]" 1
1259 1 62 THR HB 1 63 LYS H . . 3.470 2.411 2.304 2.542 . 0 0 "[ . 1 . 2]" 1
1260 1 62 THR HB 1 63 LYS QB . . 5.290 4.853 4.764 4.983 . 0 0 "[ . 1 . 2]" 1
1261 1 62 THR MG 1 63 LYS H . . 4.260 3.724 3.566 3.847 . 0 0 "[ . 1 . 2]" 1
1262 1 63 LYS H 1 63 LYS QB . . 3.750 2.695 2.583 3.240 . 0 0 "[ . 1 . 2]" 1
1263 1 63 LYS H 1 63 LYS QG . . 3.890 3.041 2.445 3.373 . 0 0 "[ . 1 . 2]" 1
1264 1 63 LYS H 1 64 LEU H . . 5.500 3.815 2.527 4.442 . 0 0 "[ . 1 . 2]" 1
1265 1 63 LYS HA 1 63 LYS QG . . 3.610 2.763 2.340 3.389 . 0 0 "[ . 1 . 2]" 1
1266 1 63 LYS HA 1 64 LEU QB . . 4.220 4.160 4.009 4.312 0.092 11 0 "[ . 1 . 2]" 1
1267 1 63 LYS QB 1 63 LYS QE . . 4.510 2.630 2.133 3.722 . 0 0 "[ . 1 . 2]" 1
1268 1 63 LYS QB 1 64 LEU H . . 4.200 2.285 1.927 2.691 . 0 0 "[ . 1 . 2]" 1
1269 1 63 LYS QG 1 64 LEU H . . 4.360 3.985 3.591 4.256 . 0 0 "[ . 1 . 2]" 1
1270 1 64 LEU H 1 64 LEU QB . . 3.040 2.424 2.105 2.929 . 0 0 "[ . 1 . 2]" 1
1271 1 64 LEU H 1 65 LEU H . . 4.800 4.467 4.198 4.612 . 0 0 "[ . 1 . 2]" 1
1272 1 64 LEU HA 1 64 LEU MD2 . . 3.440 2.179 2.151 2.235 . 0 0 "[ . 1 . 2]" 1
1273 1 64 LEU HA 1 65 LEU H . . 2.800 2.257 2.151 2.456 . 0 0 "[ . 1 . 2]" 1
1274 1 64 LEU QB 1 64 LEU MD1 . . 2.880 2.407 2.336 2.453 . 0 0 "[ . 1 . 2]" 1
1275 1 64 LEU MD1 1 65 LEU H . . 3.560 2.043 1.693 2.283 . 0 0 "[ . 1 . 2]" 1
1276 1 64 LEU MD1 1 65 LEU HA . . 4.000 3.969 3.931 4.016 0.016 9 0 "[ . 1 . 2]" 1
1277 1 64 LEU MD1 1 66 GLU H . . 3.790 2.087 1.944 2.390 . 0 0 "[ . 1 . 2]" 1
1278 1 64 LEU MD1 1 66 GLU HA . . 4.690 4.012 3.536 4.411 . 0 0 "[ . 1 . 2]" 1
1279 1 64 LEU MD1 1 66 GLU QG . . 4.280 3.114 2.483 3.977 . 0 0 "[ . 1 . 2]" 1
1280 1 64 LEU HG 1 65 LEU H . . 5.210 4.601 4.124 4.860 . 0 0 "[ . 1 . 2]" 1
1281 1 64 LEU HG 1 66 GLU H . . 5.480 4.716 4.334 5.093 . 0 0 "[ . 1 . 2]" 1
1282 1 65 LEU H 1 65 LEU QB . . 3.250 2.172 2.099 2.254 . 0 0 "[ . 1 . 2]" 1
1283 1 65 LEU H 1 65 LEU HG . . 5.500 4.464 4.309 4.541 . 0 0 "[ . 1 . 2]" 1
1284 1 65 LEU H 1 66 GLU H . . 4.250 2.746 2.578 2.845 . 0 0 "[ . 1 . 2]" 1
1285 1 65 LEU HA 1 65 LEU HG . . 4.260 3.598 2.291 3.876 . 0 0 "[ . 1 . 2]" 1
1286 1 65 LEU HA 1 66 GLU QG . . 5.130 4.651 4.521 4.759 . 0 0 "[ . 1 . 2]" 1
1287 1 65 LEU QB 1 66 GLU H . . 3.530 2.270 1.814 2.690 . 0 0 "[ . 1 . 2]" 1
1288 1 65 LEU QB 1 66 GLU HA . . 4.410 4.431 3.989 4.935 0.525 20 1 "[ . 1 . +]" 1
1289 1 65 LEU QB 1 66 GLU QG . . 3.730 2.726 2.345 3.220 . 0 0 "[ . 1 . 2]" 1
1290 1 65 LEU QD 1 66 GLU HA . . 4.920 3.426 2.407 4.619 . 0 0 "[ . 1 . 2]" 1
1291 1 65 LEU QD 1 66 GLU QG . . 4.570 3.095 1.991 3.893 . 0 0 "[ . 1 . 2]" 1
1292 1 65 LEU HG 1 66 GLU H . . 5.500 3.584 3.408 3.760 . 0 0 "[ . 1 . 2]" 1
1293 1 66 GLU H 1 66 GLU QB . . 3.410 2.703 2.386 3.327 . 0 0 "[ . 1 . 2]" 1
1294 1 66 GLU H 1 66 GLU QG . . 3.810 2.230 1.868 2.866 . 0 0 "[ . 1 . 2]" 1
1295 1 66 GLU HA 1 66 GLU QG . . 3.450 2.826 2.313 3.401 . 0 0 "[ . 1 . 2]" 1
1296 2 27 HIS HA 2 28 ILE H . . 2.670 2.180 2.136 2.261 . 0 0 "[ . 1 . 2]" 1
1297 2 27 HIS HA 2 28 ILE HB . . 4.880 4.650 4.567 4.719 . 0 0 "[ . 1 . 2]" 1
1298 2 27 HIS HA 2 28 ILE HG12 . . 5.370 4.932 4.710 5.229 . 0 0 "[ . 1 . 2]" 1
1299 2 27 HIS HA 2 28 ILE QG . . 4.690 3.567 3.477 3.732 . 0 0 "[ . 1 . 2]" 1
1300 2 27 HIS HA 2 28 ILE HG13 . . 5.370 3.661 3.562 3.836 . 0 0 "[ . 1 . 2]" 1
1301 2 27 HIS QB 2 28 ILE H . . 3.700 3.169 2.707 3.648 . 0 0 "[ . 1 . 2]" 1
1302 2 27 HIS QB 2 28 ILE HA . . 4.950 4.681 4.573 4.977 0.027 12 0 "[ . 1 . 2]" 1
1303 2 28 ILE H 2 28 ILE HB . . 3.000 2.488 2.458 2.553 . 0 0 "[ . 1 . 2]" 1
1304 2 28 ILE H 2 28 ILE MD . . 4.220 3.588 3.487 3.681 . 0 0 "[ . 1 . 2]" 1
1305 2 28 ILE H 2 28 ILE HG12 . . 3.570 3.350 3.239 3.511 . 0 0 "[ . 1 . 2]" 1
1306 2 28 ILE H 2 28 ILE QG . . 3.010 2.100 2.043 2.170 . 0 0 "[ . 1 . 2]" 1
1307 2 28 ILE H 2 28 ILE HG13 . . 3.570 2.122 2.062 2.191 . 0 0 "[ . 1 . 2]" 1
1308 2 28 ILE H 2 28 ILE MG . . 4.010 3.793 3.785 3.814 . 0 0 "[ . 1 . 2]" 1
1309 2 28 ILE H 2 29 PRO HD2 . . 4.960 4.956 4.940 4.966 0.006 4 0 "[ . 1 . 2]" 1
1310 2 28 ILE H 2 29 PRO HD3 . . 4.950 4.953 4.912 4.969 0.019 19 0 "[ . 1 . 2]" 1
1311 2 28 ILE HA 2 28 ILE MD . . 3.990 3.878 3.823 3.911 . 0 0 "[ . 1 . 2]" 1
1312 2 28 ILE HA 2 28 ILE HG12 . . 3.750 2.560 2.479 2.630 . 0 0 "[ . 1 . 2]" 1
1313 2 28 ILE HA 2 28 ILE HG13 . . 3.750 3.113 3.027 3.178 . 0 0 "[ . 1 . 2]" 1
1314 2 28 ILE HA 2 28 ILE MG . . 3.260 2.451 2.407 2.479 . 0 0 "[ . 1 . 2]" 1
1315 2 28 ILE HA 2 29 PRO HB3 . . 5.040 4.927 4.898 4.955 . 0 0 "[ . 1 . 2]" 1
1316 2 28 ILE HA 2 29 PRO HD2 . . 3.040 2.235 2.227 2.245 . 0 0 "[ . 1 . 2]" 1
1317 2 28 ILE HA 2 29 PRO HD3 . . 3.040 2.397 2.374 2.407 . 0 0 "[ . 1 . 2]" 1
1318 2 28 ILE HA 2 29 PRO HG2 . . 4.470 4.426 4.418 4.434 . 0 0 "[ . 1 . 2]" 1
1319 2 28 ILE HA 2 29 PRO HG3 . . 4.350 4.501 4.495 4.505 0.155 2 0 "[ . 1 . 2]" 1
1320 2 28 ILE HB 2 28 ILE MD . . 3.220 2.460 2.390 2.521 . 0 0 "[ . 1 . 2]" 1
1321 2 28 ILE HB 2 29 PRO HD2 . . 4.220 4.208 4.188 4.229 0.009 3 0 "[ . 1 . 2]" 1
1322 2 28 ILE HB 2 29 PRO HD3 . . 5.080 5.040 5.012 5.052 . 0 0 "[ . 1 . 2]" 1
1323 2 28 ILE MD 2 28 ILE MG . . 2.870 2.063 2.045 2.093 . 0 0 "[ . 1 . 2]" 1
1324 2 28 ILE MD 2 29 PRO HD2 . . 4.710 4.670 4.568 4.747 0.037 9 0 "[ . 1 . 2]" 1
1325 2 28 ILE QG 2 28 ILE MG . . 3.060 2.367 2.306 2.423 . 0 0 "[ . 1 . 2]" 1
1326 2 28 ILE QG 2 29 PRO HD2 . . 4.420 3.808 3.750 3.882 . 0 0 "[ . 1 . 2]" 1
1327 2 28 ILE HG12 2 28 ILE MG . . 3.530 2.432 2.360 2.499 . 0 0 "[ . 1 . 2]" 1
1328 2 28 ILE HG12 2 29 PRO HD3 . . 5.500 4.737 4.639 4.793 . 0 0 "[ . 1 . 2]" 1
1329 2 28 ILE HG13 2 28 ILE MG . . 3.530 3.251 3.241 3.257 . 0 0 "[ . 1 . 2]" 1
1330 2 28 ILE HG13 2 29 PRO HD3 . . 5.500 5.507 5.425 5.552 0.052 16 0 "[ . 1 . 2]" 1
1331 2 28 ILE MG 2 29 PRO HD2 . . 3.520 2.149 2.127 2.175 . 0 0 "[ . 1 . 2]" 1
1332 2 28 ILE MG 2 29 PRO HD3 . . 3.630 3.476 3.447 3.499 . 0 0 "[ . 1 . 2]" 1
1333 2 28 ILE MG 2 29 PRO HG2 . . 4.320 3.379 3.341 3.427 . 0 0 "[ . 1 . 2]" 1
1334 2 28 ILE MG 2 29 PRO HG3 . . 4.730 4.315 4.287 4.349 . 0 0 "[ . 1 . 2]" 1
1335 2 28 ILE MG 2 30 PRO HA . . 4.850 4.634 4.546 4.693 . 0 0 "[ . 1 . 2]" 1
1336 2 29 PRO HA 2 30 PRO QG . . 4.640 4.206 4.191 4.241 . 0 0 "[ . 1 . 2]" 1
1337 2 29 PRO HB2 2 30 PRO HD2 . . 3.790 2.380 2.351 2.408 . 0 0 "[ . 1 . 2]" 1
1338 2 29 PRO HB2 2 30 PRO QD . . 3.320 2.358 2.330 2.384 . 0 0 "[ . 1 . 2]" 1
1339 2 29 PRO HB2 2 30 PRO HD3 . . 3.790 3.815 3.801 3.824 0.034 2 0 "[ . 1 . 2]" 1
1340 2 29 PRO HB3 2 30 PRO QD . . 3.720 3.005 2.986 3.038 . 0 0 "[ . 1 . 2]" 1
1341 2 30 PRO HA 2 31 ALA H . . 2.410 2.211 2.192 2.220 . 0 0 "[ . 1 . 2]" 1
1342 2 30 PRO HA 2 31 ALA HA . . 4.860 4.417 4.407 4.429 . 0 0 "[ . 1 . 2]" 1
1343 2 30 PRO HA 2 31 ALA MB . . 3.990 3.990 3.960 4.003 0.013 11 0 "[ . 1 . 2]" 1
1344 2 30 PRO HB2 2 31 ALA H . . 3.270 3.180 3.116 3.225 . 0 0 "[ . 1 . 2]" 1
1345 2 30 PRO HB2 2 31 ALA HA . . 4.590 4.702 4.696 4.707 0.117 18 0 "[ . 1 . 2]" 1
1346 2 30 PRO HB2 2 31 ALA MB . . 4.600 4.534 4.474 4.586 . 0 0 "[ . 1 . 2]" 1
1347 2 30 PRO HB3 2 31 ALA H . . 4.120 3.724 3.680 3.748 . 0 0 "[ . 1 . 2]" 1
1348 2 30 PRO HB3 2 31 ALA MB . . 5.380 5.255 5.221 5.288 . 0 0 "[ . 1 . 2]" 1
1349 2 30 PRO QG 2 31 ALA H . . 4.570 4.562 4.529 4.579 0.009 8 0 "[ . 1 . 2]" 1
1350 2 31 ALA H 2 31 ALA MB . . 2.670 2.212 2.199 2.225 . 0 0 "[ . 1 . 2]" 1
1351 2 31 ALA H 2 32 PRO HD2 . . 5.500 4.901 4.880 4.920 . 0 0 "[ . 1 . 2]" 1
1352 2 31 ALA H 2 32 PRO HD3 . . 5.500 5.222 5.174 5.260 . 0 0 "[ . 1 . 2]" 1
1353 2 31 ALA HA 2 32 PRO HB3 . . 5.070 4.936 4.879 4.961 . 0 0 "[ . 1 . 2]" 1
1354 2 31 ALA HA 2 32 PRO HD2 . . 3.510 2.479 2.459 2.490 . 0 0 "[ . 1 . 2]" 1
1355 2 31 ALA HA 2 32 PRO HD3 . . 3.170 2.496 2.445 2.535 . 0 0 "[ . 1 . 2]" 1
1356 2 31 ALA HA 2 32 PRO HG2 . . 4.630 4.633 4.624 4.638 0.008 12 0 "[ . 1 . 2]" 1
1357 2 31 ALA HA 2 32 PRO HG3 . . 4.750 4.667 4.636 4.692 . 0 0 "[ . 1 . 2]" 1
1358 2 31 ALA MB 2 32 PRO HA . . 4.740 4.507 4.486 4.541 . 0 0 "[ . 1 . 2]" 1
1359 2 31 ALA MB 2 32 PRO HD2 . . 3.460 2.182 2.134 2.231 . 0 0 "[ . 1 . 2]" 1
1360 2 31 ALA MB 2 32 PRO HD3 . . 3.620 3.441 3.418 3.457 . 0 0 "[ . 1 . 2]" 1
1361 2 32 PRO HA 2 33 ASN H . . 2.590 2.483 2.468 2.497 . 0 0 "[ . 1 . 2]" 1
1362 2 32 PRO HA 2 33 ASN HB2 . . 4.780 4.116 4.030 4.185 . 0 0 "[ . 1 . 2]" 1
1363 2 32 PRO HA 2 34 TRP H . . 4.230 4.129 4.115 4.143 . 0 0 "[ . 1 . 2]" 1
1364 2 32 PRO HA 2 34 TRP HE3 . . 4.800 4.768 4.725 4.804 0.004 11 0 "[ . 1 . 2]" 1
1365 2 32 PRO HA 2 34 TRP HZ3 . . 4.510 4.092 4.001 4.166 . 0 0 "[ . 1 . 2]" 1
1366 2 32 PRO HB2 2 33 ASN H . . 3.540 2.368 2.360 2.379 . 0 0 "[ . 1 . 2]" 1
1367 2 32 PRO HB2 2 34 TRP H . . 3.480 2.349 2.332 2.368 . 0 0 "[ . 1 . 2]" 1
1368 2 32 PRO HB3 2 33 ASN H . . 3.520 3.331 3.323 3.339 . 0 0 "[ . 1 . 2]" 1
1369 2 32 PRO HB3 2 34 TRP H . . 4.050 4.087 4.074 4.100 0.050 3 0 "[ . 1 . 2]" 1
1370 2 32 PRO HB3 2 34 TRP HH2 . . 5.500 3.338 3.228 3.440 . 0 0 "[ . 1 . 2]" 1
1371 2 32 PRO HD2 2 34 TRP H . . 5.270 5.094 5.051 5.145 . 0 0 "[ . 1 . 2]" 1
1372 2 32 PRO HD3 2 33 ASN H . . 5.500 5.379 5.361 5.398 . 0 0 "[ . 1 . 2]" 1
1373 2 32 PRO HD3 2 34 TRP H . . 5.500 5.578 5.566 5.592 0.092 7 0 "[ . 1 . 2]" 1
1374 2 32 PRO HG2 2 33 ASN H . . 4.410 4.171 4.160 4.177 . 0 0 "[ . 1 . 2]" 1
1375 2 32 PRO HG3 2 33 ASN H . . 5.060 4.905 4.898 4.914 . 0 0 "[ . 1 . 2]" 1
1376 2 32 PRO HG3 2 34 TRP HE1 . . 4.950 4.646 4.489 4.855 . 0 0 "[ . 1 . 2]" 1
1377 2 33 ASN H 2 33 ASN HB2 . . 3.050 2.407 2.313 2.491 . 0 0 "[ . 1 . 2]" 1
1378 2 33 ASN H 2 33 ASN HB3 . . 3.040 2.709 2.577 2.849 . 0 0 "[ . 1 . 2]" 1
1379 2 33 ASN H 2 34 TRP H . . 2.960 2.549 2.528 2.570 . 0 0 "[ . 1 . 2]" 1
1380 2 33 ASN H 2 34 TRP HA . . 5.080 5.134 5.117 5.147 0.067 11 0 "[ . 1 . 2]" 1
1381 2 33 ASN H 2 34 TRP HB3 . . 4.550 4.580 4.570 4.590 0.040 16 0 "[ . 1 . 2]" 1
1382 2 33 ASN HA 2 34 TRP H . . 3.250 3.230 3.175 3.268 0.018 9 0 "[ . 1 . 2]" 1
1383 2 33 ASN HB2 2 34 TRP H . . 4.180 4.274 4.229 4.304 0.124 7 0 "[ . 1 . 2]" 1
1384 2 33 ASN HB3 2 34 TRP H . . 3.950 3.751 3.651 3.885 . 0 0 "[ . 1 . 2]" 1
1385 2 34 TRP H 2 34 TRP HB3 . . 3.420 3.194 3.158 3.253 . 0 0 "[ . 1 . 2]" 1
1386 2 34 TRP H 2 34 TRP HE3 . . 2.950 2.930 2.879 2.984 0.034 17 0 "[ . 1 . 2]" 1
1387 2 34 TRP H 2 35 PRO HD2 . . 5.200 4.935 4.930 4.943 . 0 0 "[ . 1 . 2]" 1
1388 2 34 TRP H 2 35 PRO HD3 . . 5.070 5.001 4.974 5.024 . 0 0 "[ . 1 . 2]" 1
1389 2 34 TRP HA 2 35 PRO HB3 . . 4.970 4.875 4.862 4.893 . 0 0 "[ . 1 . 2]" 1
1390 2 34 TRP HA 2 35 PRO HD2 . . 3.210 2.440 2.430 2.448 . 0 0 "[ . 1 . 2]" 1
1391 2 34 TRP HA 2 35 PRO HD3 . . 2.960 2.375 2.366 2.384 . 0 0 "[ . 1 . 2]" 1
1392 2 34 TRP HA 2 35 PRO HG2 . . 4.620 4.550 4.538 4.560 . 0 0 "[ . 1 . 2]" 1
1393 2 34 TRP HA 2 35 PRO HG3 . . 4.550 4.577 4.571 4.583 0.033 9 0 "[ . 1 . 2]" 1
1394 2 34 TRP HB2 2 34 TRP HD1 . . 3.540 2.602 2.583 2.615 . 0 0 "[ . 1 . 2]" 1
1395 2 34 TRP HB2 2 35 PRO HD2 . . 3.350 2.122 2.110 2.135 . 0 0 "[ . 1 . 2]" 1
1396 2 34 TRP HB2 2 35 PRO HD3 . . 3.500 3.527 3.514 3.539 0.039 6 0 "[ . 1 . 2]" 1
1397 2 34 TRP HB2 2 35 PRO HG2 . . 5.190 3.935 3.925 3.946 . 0 0 "[ . 1 . 2]" 1
1398 2 34 TRP HB2 2 35 PRO HG3 . . 4.990 4.789 4.773 4.806 . 0 0 "[ . 1 . 2]" 1
1399 2 34 TRP HB3 2 34 TRP HE3 . . 3.770 2.702 2.685 2.728 . 0 0 "[ . 1 . 2]" 1
1400 2 34 TRP HB3 2 34 TRP HZ3 . . 5.070 5.125 5.115 5.149 0.079 18 0 "[ . 1 . 2]" 1
1401 2 34 TRP HB3 2 35 PRO HD2 . . 3.730 3.506 3.485 3.536 . 0 0 "[ . 1 . 2]" 1
1402 2 34 TRP HB3 2 35 PRO HD3 . . 4.420 4.448 4.433 4.466 0.046 18 0 "[ . 1 . 2]" 1
1403 2 34 TRP HB3 2 35 PRO HG2 . . 5.500 5.586 5.573 5.606 0.106 18 0 "[ . 1 . 2]" 1
1404 2 34 TRP HD1 2 35 PRO HD2 . . 4.130 3.758 3.649 3.837 . 0 0 "[ . 1 . 2]" 1
1405 2 34 TRP HD1 2 36 ALA HA . . 5.500 4.183 4.050 4.283 . 0 0 "[ . 1 . 2]" 1
1406 2 34 TRP HE1 2 36 ALA HA . . 4.730 4.476 4.382 4.610 . 0 0 "[ . 1 . 2]" 1
1407 2 34 TRP HE1 2 37 PRO HD2 . . 5.060 5.021 4.753 5.089 0.029 6 0 "[ . 1 . 2]" 1
1408 2 34 TRP HE1 2 37 PRO HD3 . . 4.690 3.644 3.419 3.764 . 0 0 "[ . 1 . 2]" 1
1409 2 35 PRO HA 2 36 ALA H . . 2.400 2.260 2.251 2.271 . 0 0 "[ . 1 . 2]" 1
1410 2 35 PRO HA 2 36 ALA HA . . 4.810 4.305 4.277 4.319 . 0 0 "[ . 1 . 2]" 1
1411 2 35 PRO HA 2 36 ALA MB . . 4.130 3.916 3.891 3.934 . 0 0 "[ . 1 . 2]" 1
1412 2 35 PRO HB2 2 36 ALA H . . 3.400 2.976 2.952 2.997 . 0 0 "[ . 1 . 2]" 1
1413 2 35 PRO HB3 2 36 ALA H . . 3.610 3.650 3.641 3.659 0.049 16 0 "[ . 1 . 2]" 1
1414 2 35 PRO HG2 2 36 ALA H . . 4.750 4.659 4.638 4.678 . 0 0 "[ . 1 . 2]" 1
1415 2 35 PRO HG3 2 36 ALA H . . 5.380 5.372 5.355 5.385 0.005 11 0 "[ . 1 . 2]" 1
1416 2 36 ALA H 2 36 ALA MB . . 2.610 2.143 2.128 2.155 . 0 0 "[ . 1 . 2]" 1
1417 2 36 ALA H 2 37 PRO HD2 . . 4.870 4.912 4.879 4.924 0.054 12 0 "[ . 1 . 2]" 1
1418 2 36 ALA H 2 37 PRO HD3 . . 5.180 4.992 4.957 5.056 . 0 0 "[ . 1 . 2]" 1
1419 2 36 ALA HA 2 37 PRO QB . . 5.230 4.587 4.567 4.606 . 0 0 "[ . 1 . 2]" 1
1420 2 36 ALA HA 2 37 PRO HD3 . . 3.390 2.306 2.278 2.342 . 0 0 "[ . 1 . 2]" 1
1421 2 36 ALA HA 2 37 PRO HG2 . . 4.580 4.517 4.480 4.544 . 0 0 "[ . 1 . 2]" 1
1422 2 36 ALA HA 2 37 PRO HG3 . . 4.380 4.464 4.456 4.481 0.101 6 0 "[ . 1 . 2]" 1
1423 2 36 ALA MB 2 37 PRO HD2 . . 3.780 2.441 2.298 2.581 . 0 0 "[ . 1 . 2]" 1
1424 2 36 ALA MB 2 37 PRO HD3 . . 3.760 3.538 3.460 3.646 . 0 0 "[ . 1 . 2]" 1
1425 2 36 ALA MB 2 37 PRO HG2 . . 4.460 4.202 4.042 4.288 . 0 0 "[ . 1 . 2]" 1
1426 2 36 ALA MB 2 37 PRO HG3 . . 5.020 4.845 4.706 4.958 . 0 0 "[ . 1 . 2]" 1
1427 2 37 PRO HA 2 38 THR H . . 2.780 2.531 2.474 2.597 . 0 0 "[ . 1 . 2]" 1
1428 2 37 PRO QB 2 38 THR H . . 2.750 2.293 2.218 2.349 . 0 0 "[ . 1 . 2]" 1
1429 2 37 PRO HB2 2 38 THR H . . 3.330 2.333 2.250 2.396 . 0 0 "[ . 1 . 2]" 1
1430 2 37 PRO HB3 2 38 THR H . . 3.330 3.371 3.358 3.382 0.052 19 0 "[ . 1 . 2]" 1
1431 2 37 PRO HG2 2 38 THR H . . 4.160 4.128 4.034 4.182 0.022 11 0 "[ . 1 . 2]" 1
1432 2 38 THR H 2 38 THR HB . . 3.770 3.788 3.769 3.814 0.044 17 0 "[ . 1 . 2]" 1
1433 2 38 THR H 2 38 THR MG . . 3.500 3.113 3.060 3.205 . 0 0 "[ . 1 . 2]" 1
1434 2 38 THR H 2 39 PRO HD2 . . 4.980 4.902 4.881 4.914 . 0 0 "[ . 1 . 2]" 1
1435 2 38 THR H 2 39 PRO HD3 . . 5.160 5.107 5.050 5.146 . 0 0 "[ . 1 . 2]" 1
1436 2 38 THR HA 2 38 THR MG . . 3.290 2.318 2.299 2.330 . 0 0 "[ . 1 . 2]" 1
1437 2 38 THR HA 2 39 PRO HD2 . . 3.290 2.403 2.371 2.425 . 0 0 "[ . 1 . 2]" 1
1438 2 38 THR HA 2 39 PRO HD3 . . 3.210 2.469 2.442 2.492 . 0 0 "[ . 1 . 2]" 1
1439 2 38 THR HA 2 39 PRO HG2 . . 4.820 4.568 4.540 4.589 . 0 0 "[ . 1 . 2]" 1
1440 2 38 THR HA 2 39 PRO HG3 . . 4.840 4.632 4.613 4.661 . 0 0 "[ . 1 . 2]" 1
1441 2 38 THR HB 2 39 PRO HD2 . . 3.230 2.151 2.137 2.164 . 0 0 "[ . 1 . 2]" 1
1442 2 38 THR HB 2 39 PRO HD3 . . 3.600 3.620 3.605 3.638 0.038 17 0 "[ . 1 . 2]" 1
1443 2 38 THR HB 2 39 PRO HG2 . . 4.680 3.757 3.722 3.811 . 0 0 "[ . 1 . 2]" 1
1444 2 38 THR HB 2 39 PRO HG3 . . 4.720 4.729 4.712 4.750 0.030 7 0 "[ . 1 . 2]" 1
1445 2 38 THR MG 2 39 PRO HD2 . . 3.700 2.975 2.889 3.048 . 0 0 "[ . 1 . 2]" 1
1446 2 38 THR MG 2 39 PRO HD3 . . 3.890 3.877 3.811 3.909 0.019 7 0 "[ . 1 . 2]" 1
1447 2 39 PRO HA 2 40 PRO HB3 . . 5.030 4.987 4.944 5.036 0.006 6 0 "[ . 1 . 2]" 1
1448 2 39 PRO HA 2 40 PRO HD2 . . 3.070 2.510 2.484 2.545 . 0 0 "[ . 1 . 2]" 1
1449 2 39 PRO HA 2 40 PRO QD . . 2.650 2.258 2.232 2.282 . 0 0 "[ . 1 . 2]" 1
1450 2 39 PRO HA 2 40 PRO HD3 . . 3.070 2.561 2.516 2.602 . 0 0 "[ . 1 . 2]" 1
1451 2 39 PRO HA 2 40 PRO QG . . 4.400 4.195 4.174 4.219 . 0 0 "[ . 1 . 2]" 1
1452 2 39 PRO QB 2 40 PRO HD2 . . 3.820 2.245 2.193 2.303 . 0 0 "[ . 1 . 2]" 1
1453 2 39 PRO QB 2 40 PRO QD . . 3.240 2.221 2.171 2.275 . 0 0 "[ . 1 . 2]" 1
1454 2 39 PRO QB 2 40 PRO HD3 . . 3.820 3.518 3.480 3.549 . 0 0 "[ . 1 . 2]" 1
1455 2 40 PRO HA 2 41 VAL H . . 2.400 2.295 2.198 2.424 0.024 17 0 "[ . 1 . 2]" 1
1456 2 40 PRO HA 2 41 VAL HA . . 5.270 4.450 4.362 4.546 . 0 0 "[ . 1 . 2]" 1
1457 2 40 PRO HA 2 41 VAL QG . . 4.010 3.336 2.950 3.929 . 0 0 "[ . 1 . 2]" 1
1458 2 40 PRO HB2 2 41 VAL H . . 3.370 2.926 2.635 3.229 . 0 0 "[ . 1 . 2]" 1
1459 2 40 PRO HB2 2 41 VAL HA . . 5.020 4.684 4.353 4.923 . 0 0 "[ . 1 . 2]" 1
1460 2 40 PRO HB2 2 41 VAL QG . . 4.840 4.372 3.153 4.798 . 0 0 "[ . 1 . 2]" 1
1461 2 41 VAL H 2 41 VAL HB . . 3.410 2.815 2.476 3.374 . 0 0 "[ . 1 . 2]" 1
1462 2 41 VAL H 2 41 VAL QG . . 2.740 2.298 1.751 2.743 0.003 6 0 "[ . 1 . 2]" 1
1463 2 41 VAL H 2 42 GLN H . . 4.280 3.102 2.092 4.244 . 0 0 "[ . 1 . 2]" 1
1464 2 41 VAL H 2 42 GLN QG . . 4.200 3.901 3.398 4.217 0.017 12 0 "[ . 1 . 2]" 1
1465 2 41 VAL HA 2 41 VAL QG . . 2.920 2.190 2.135 2.323 . 0 0 "[ . 1 . 2]" 1
1466 2 41 VAL HA 2 42 GLN H . . 3.530 2.875 2.024 3.548 0.018 5 0 "[ . 1 . 2]" 1
1467 2 41 VAL HA 2 42 GLN HA . . 5.500 4.605 4.363 4.915 . 0 0 "[ . 1 . 2]" 1
1468 2 41 VAL QG 2 42 GLN H . . 4.450 3.185 2.317 3.749 . 0 0 "[ . 1 . 2]" 1
1469 2 41 VAL MG1 2 42 GLN H . . 5.150 3.778 2.920 4.329 . 0 0 "[ . 1 . 2]" 1
1470 2 41 VAL MG2 2 42 GLN H . . 5.150 3.726 2.345 4.337 . 0 0 "[ . 1 . 2]" 1
1471 2 42 GLN H 2 42 GLN QB . . 3.600 2.799 2.323 3.302 . 0 0 "[ . 1 . 2]" 1
1472 2 42 GLN H 2 42 GLN QG . . 4.830 2.724 2.085 3.847 . 0 0 "[ . 1 . 2]" 1
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