NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
369205 |
1b64   |
4117 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1b64
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 1334
_Distance_constraint_stats_list.Viol_count 1397
_Distance_constraint_stats_list.Viol_total 1397.954
_Distance_constraint_stats_list.Viol_max 0.386
_Distance_constraint_stats_list.Viol_rms 0.0153
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0500
_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 VAL 0.599 0.137 1 0 "[ . 1 . 2]"
1 4 ALA 0.425 0.137 1 0 "[ . 1 . 2]"
1 5 LYS 3.214 0.158 19 0 "[ . 1 . 2]"
1 6 SER 3.260 0.158 19 0 "[ . 1 . 2]"
1 7 SER 2.090 0.184 18 0 "[ . 1 . 2]"
1 8 ILE 1.744 0.226 10 0 "[ . 1 . 2]"
1 9 LEU 1.708 0.226 10 0 "[ . 1 . 2]"
1 10 LEU 0.522 0.068 14 0 "[ . 1 . 2]"
1 11 ASP 0.696 0.057 13 0 "[ . 1 . 2]"
1 12 VAL 0.303 0.044 19 0 "[ . 1 . 2]"
1 13 LYS 1.113 0.056 19 0 "[ . 1 . 2]"
1 14 PRO 0.051 0.021 13 0 "[ . 1 . 2]"
1 15 TRP 0.344 0.054 17 0 "[ . 1 . 2]"
1 16 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ASP 1.920 0.136 15 0 "[ . 1 . 2]"
1 18 GLU 0.021 0.007 8 0 "[ . 1 . 2]"
1 19 THR 0.115 0.048 9 0 "[ . 1 . 2]"
1 20 ASP 0.277 0.050 5 0 "[ . 1 . 2]"
1 21 MET 0.425 0.126 11 0 "[ . 1 . 2]"
1 22 ALA 0.269 0.055 17 0 "[ . 1 . 2]"
1 23 LYS 7.713 0.386 12 0 "[ . 1 . 2]"
1 24 LEU 0.497 0.081 2 0 "[ . 1 . 2]"
1 25 GLU 0.509 0.105 1 0 "[ . 1 . 2]"
1 26 GLU 0.422 0.067 20 0 "[ . 1 . 2]"
1 27 CYS 0.604 0.124 11 0 "[ . 1 . 2]"
1 28 VAL 0.015 0.012 5 0 "[ . 1 . 2]"
1 29 ARG 0.185 0.043 20 0 "[ . 1 . 2]"
1 30 SER 0.009 0.008 3 0 "[ . 1 . 2]"
1 31 ILE 0.688 0.100 5 0 "[ . 1 . 2]"
1 32 GLN 0.688 0.100 5 0 "[ . 1 . 2]"
1 33 ALA 0.194 0.048 9 0 "[ . 1 . 2]"
1 34 ASP 1.184 0.235 9 0 "[ . 1 . 2]"
1 35 GLY 0.595 0.071 5 0 "[ . 1 . 2]"
1 36 LEU 1.015 0.235 9 0 "[ . 1 . 2]"
1 37 VAL 0.671 0.084 14 0 "[ . 1 . 2]"
1 38 TRP 0.482 0.073 15 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 SER 0.178 0.035 6 0 "[ . 1 . 2]"
1 42 LYS 1.964 0.116 11 0 "[ . 1 . 2]"
1 43 LEU 5.166 0.191 11 0 "[ . 1 . 2]"
1 44 VAL 0.204 0.045 18 0 "[ . 1 . 2]"
1 45 PRO 0.102 0.044 18 0 "[ . 1 . 2]"
1 46 VAL 1.337 0.126 20 0 "[ . 1 . 2]"
1 47 GLY 0.054 0.053 20 0 "[ . 1 . 2]"
1 50 ILE 0.842 0.089 5 0 "[ . 1 . 2]"
1 51 LYS 0.734 0.089 5 0 "[ . 1 . 2]"
1 52 LYS 0.250 0.091 5 0 "[ . 1 . 2]"
1 53 LEU 0.071 0.022 15 0 "[ . 1 . 2]"
1 54 GLN 3.944 0.301 15 0 "[ . 1 . 2]"
1 55 ILE 4.337 0.301 15 0 "[ . 1 . 2]"
1 56 GLN 0.482 0.090 18 0 "[ . 1 . 2]"
1 57 CYS 1.560 0.177 17 0 "[ . 1 . 2]"
1 58 VAL 1.836 0.177 17 0 "[ . 1 . 2]"
1 59 VAL 1.936 0.099 13 0 "[ . 1 . 2]"
1 60 GLU 2.371 0.106 19 0 "[ . 1 . 2]"
1 61 ASP 2.144 0.135 12 0 "[ . 1 . 2]"
1 62 ASP 4.043 0.140 3 0 "[ . 1 . 2]"
1 63 LYS 1.812 0.119 3 0 "[ . 1 . 2]"
1 64 VAL 1.929 0.119 3 0 "[ . 1 . 2]"
1 65 GLY 1.534 0.294 16 0 "[ . 1 . 2]"
1 66 THR 1.659 0.294 16 0 "[ . 1 . 2]"
1 67 ASP 0.465 0.076 13 0 "[ . 1 . 2]"
1 68 MET 1.271 0.127 14 0 "[ . 1 . 2]"
1 69 LEU 5.698 0.145 20 0 "[ . 1 . 2]"
1 70 GLU 1.636 0.105 5 0 "[ . 1 . 2]"
1 71 GLU 0.812 0.075 5 0 "[ . 1 . 2]"
1 72 GLN 0.660 0.127 14 0 "[ . 1 . 2]"
1 73 ILE 0.005 0.005 9 0 "[ . 1 . 2]"
1 74 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PHE 0.123 0.058 13 0 "[ . 1 . 2]"
1 77 GLU 0.736 0.165 15 0 "[ . 1 . 2]"
1 78 ASP 0.107 0.035 4 0 "[ . 1 . 2]"
1 79 TYR 1.487 0.125 15 0 "[ . 1 . 2]"
1 80 VAL 0.218 0.035 10 0 "[ . 1 . 2]"
1 81 GLN 1.064 0.083 8 0 "[ . 1 . 2]"
1 82 SER 0.086 0.017 8 0 "[ . 1 . 2]"
1 83 MET 0.674 0.107 18 0 "[ . 1 . 2]"
1 84 ASP 4.121 0.135 10 0 "[ . 1 . 2]"
1 85 VAL 1.999 0.125 5 0 "[ . 1 . 2]"
1 86 ALA 1.417 0.127 15 0 "[ . 1 . 2]"
1 87 ALA 1.421 0.127 15 0 "[ . 1 . 2]"
1 88 PHE 0.635 0.102 18 0 "[ . 1 . 2]"
1 89 ASN 0.601 0.122 18 0 "[ . 1 . 2]"
1 90 LYS 1.960 0.161 15 0 "[ . 1 . 2]"
1 91 ILE 1.588 0.097 7 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 VAL H 1 3 VAL HB . . 3.450 3.038 2.442 3.523 0.073 12 0 "[ . 1 . 2]" 1
2 1 3 VAL HA 1 4 ALA H . . 2.650 2.488 2.195 2.722 0.072 13 0 "[ . 1 . 2]" 1
3 1 3 VAL HA 1 4 ALA MB . . 6.310 4.105 3.708 4.285 . 0 0 "[ . 1 . 2]" 1
4 1 3 VAL HB 1 4 ALA H . . 4.200 3.939 3.421 4.337 0.137 1 0 "[ . 1 . 2]" 1
5 1 3 VAL QG 1 4 ALA H . . 7.620 2.232 1.776 3.796 . 0 0 "[ . 1 . 2]" 1
6 1 3 VAL QG 1 4 ALA HA . . 7.440 3.507 2.986 5.012 . 0 0 "[ . 1 . 2]" 1
7 1 3 VAL QG 1 5 LYS HG2 . . 7.370 4.377 3.167 4.902 . 0 0 "[ . 1 . 2]" 1
8 1 3 VAL QG 1 5 LYS QG . . 7.200 3.936 1.932 4.551 . 0 0 "[ . 1 . 2]" 1
9 1 3 VAL QG 1 5 LYS HG3 . . 7.370 4.607 1.949 5.485 . 0 0 "[ . 1 . 2]" 1
10 1 3 VAL QG 1 60 GLU QG . . 8.310 4.936 2.970 5.526 . 0 0 "[ . 1 . 2]" 1
11 1 4 ALA H 1 4 ALA HA . . 2.620 2.231 2.211 2.260 . 0 0 "[ . 1 . 2]" 1
12 1 4 ALA HA 1 5 LYS H . . 2.800 2.391 2.192 2.833 0.033 9 0 "[ . 1 . 2]" 1
13 1 4 ALA MB 1 61 ASP HB2 . . 4.670 2.993 2.007 3.713 . 0 0 "[ . 1 . 2]" 1
14 1 4 ALA MB 1 61 ASP QB . . 4.490 2.686 1.942 3.259 . 0 0 "[ . 1 . 2]" 1
15 1 4 ALA MB 1 61 ASP HB3 . . 4.670 3.331 2.509 3.804 . 0 0 "[ . 1 . 2]" 1
16 1 4 ALA MB 1 62 ASP H . . 6.370 4.922 3.805 5.187 . 0 0 "[ . 1 . 2]" 1
17 1 5 LYS H 1 5 LYS HB2 . . 3.610 2.420 2.267 2.636 . 0 0 "[ . 1 . 2]" 1
18 1 5 LYS H 1 5 LYS HB3 . . 3.610 3.617 3.526 3.723 0.113 14 0 "[ . 1 . 2]" 1
19 1 5 LYS H 1 5 LYS QG . . 4.610 3.017 2.836 3.325 . 0 0 "[ . 1 . 2]" 1
20 1 5 LYS H 1 6 SER H . . 4.540 4.499 4.426 4.561 0.021 19 0 "[ . 1 . 2]" 1
21 1 5 LYS HA 1 5 LYS HG2 . . 3.610 2.426 2.220 2.732 . 0 0 "[ . 1 . 2]" 1
22 1 5 LYS HA 1 5 LYS HG3 . . 3.610 3.602 3.485 3.687 0.077 8 0 "[ . 1 . 2]" 1
23 1 5 LYS HA 1 6 SER H . . 2.520 2.566 2.481 2.604 0.084 11 0 "[ . 1 . 2]" 1
24 1 5 LYS HA 1 60 GLU HA . . 2.800 2.031 1.945 2.223 . 0 0 "[ . 1 . 2]" 1
25 1 5 LYS HA 1 61 ASP H . . 3.050 2.654 1.920 3.101 0.051 16 0 "[ . 1 . 2]" 1
26 1 5 LYS QB 1 6 SER H . . 3.390 2.281 2.214 2.444 . 0 0 "[ . 1 . 2]" 1
27 1 5 LYS HB2 1 6 SER H . . 3.610 3.651 3.622 3.768 0.158 19 0 "[ . 1 . 2]" 1
28 1 5 LYS HB3 1 6 SER H . . 3.610 2.304 2.234 2.476 . 0 0 "[ . 1 . 2]" 1
29 1 5 LYS QD 1 64 VAL H . . 6.380 5.601 5.285 5.806 . 0 0 "[ . 1 . 2]" 1
30 1 5 LYS QE 1 37 VAL QG . . 6.950 2.813 1.913 4.165 . 0 0 "[ . 1 . 2]" 1
31 1 5 LYS QE 1 60 GLU HA . . 4.270 3.785 3.519 3.914 . 0 0 "[ . 1 . 2]" 1
32 1 5 LYS QG 1 58 VAL QG . . 8.470 3.568 2.902 4.018 . 0 0 "[ . 1 . 2]" 1
33 1 5 LYS QG 1 60 GLU HA . . 4.180 3.062 2.482 3.544 . 0 0 "[ . 1 . 2]" 1
34 1 5 LYS QG 1 60 GLU QB . . 6.380 4.239 3.841 4.904 . 0 0 "[ . 1 . 2]" 1
35 1 5 LYS HG2 1 6 SER H . . 5.500 4.409 4.192 4.675 . 0 0 "[ . 1 . 2]" 1
36 1 5 LYS HG2 1 60 GLU HA . . 4.540 3.136 2.508 3.700 . 0 0 "[ . 1 . 2]" 1
37 1 5 LYS HG3 1 6 SER H . . 5.500 4.821 4.671 4.963 . 0 0 "[ . 1 . 2]" 1
38 1 5 LYS HG3 1 60 GLU HA . . 4.540 4.368 3.952 4.615 0.075 18 0 "[ . 1 . 2]" 1
39 1 6 SER H 1 6 SER HB2 . . 3.860 3.359 2.787 3.759 . 0 0 "[ . 1 . 2]" 1
40 1 6 SER H 1 6 SER QB . . 3.600 2.801 2.549 3.312 . 0 0 "[ . 1 . 2]" 1
41 1 6 SER H 1 6 SER HB3 . . 3.860 3.133 2.637 3.861 0.001 18 0 "[ . 1 . 2]" 1
42 1 6 SER HA 1 7 SER H . . 2.650 2.523 2.240 2.604 . 0 0 "[ . 1 . 2]" 1
43 1 6 SER HA 1 8 ILE MD . . 6.530 4.773 4.233 5.254 . 0 0 "[ . 1 . 2]" 1
44 1 6 SER HA 1 90 LYS HA . . 2.620 2.389 1.964 2.685 0.065 15 0 "[ . 1 . 2]" 1
45 1 6 SER HA 1 91 ILE H . . 3.110 1.916 1.340 3.122 0.012 11 0 "[ . 1 . 2]" 1
46 1 6 SER HA 1 91 ILE HG12 . . 5.340 4.810 2.844 5.402 0.062 18 0 "[ . 1 . 2]" 1
47 1 6 SER HA 1 91 ILE HG13 . . 5.340 4.848 3.126 5.389 0.049 16 0 "[ . 1 . 2]" 1
48 1 6 SER QB 1 7 SER H . . 3.540 3.068 2.414 3.372 . 0 0 "[ . 1 . 2]" 1
49 1 6 SER QB 1 8 ILE QG . . 6.320 3.917 3.069 4.630 . 0 0 "[ . 1 . 2]" 1
50 1 6 SER QB 1 59 VAL QG . . 6.360 2.716 1.893 3.584 . 0 0 "[ . 1 . 2]" 1
51 1 6 SER QB 1 60 GLU HA . . 5.180 4.462 3.942 4.798 . 0 0 "[ . 1 . 2]" 1
52 1 6 SER QB 1 90 LYS HA . . 6.380 2.715 2.195 3.349 . 0 0 "[ . 1 . 2]" 1
53 1 6 SER HB2 1 7 SER H . . 3.800 3.659 2.670 3.938 0.138 7 0 "[ . 1 . 2]" 1
54 1 6 SER HB2 1 8 ILE MD . . 6.530 3.891 2.100 4.605 . 0 0 "[ . 1 . 2]" 1
55 1 6 SER HB2 1 8 ILE HG12 . . 7.250 5.878 3.618 7.001 . 0 0 "[ . 1 . 2]" 1
56 1 6 SER HB2 1 8 ILE HG13 . . 7.250 5.541 3.228 6.515 . 0 0 "[ . 1 . 2]" 1
57 1 6 SER HB2 1 59 VAL MG1 . . 8.250 6.047 4.835 6.859 . 0 0 "[ . 1 . 2]" 1
58 1 6 SER HB2 1 59 VAL MG2 . . 8.250 3.797 2.364 4.868 . 0 0 "[ . 1 . 2]" 1
59 1 6 SER HB2 1 60 GLU HA . . 5.500 5.205 4.034 5.546 0.046 16 0 "[ . 1 . 2]" 1
60 1 6 SER HB3 1 7 SER H . . 3.800 3.427 2.438 3.759 . 0 0 "[ . 1 . 2]" 1
61 1 6 SER HB3 1 8 ILE MD . . 6.530 3.173 2.514 4.213 . 0 0 "[ . 1 . 2]" 1
62 1 6 SER HB3 1 8 ILE HG12 . . 7.250 5.057 3.560 6.271 . 0 0 "[ . 1 . 2]" 1
63 1 6 SER HB3 1 8 ILE HG13 . . 7.250 4.774 4.142 6.283 . 0 0 "[ . 1 . 2]" 1
64 1 6 SER HB3 1 59 VAL MG1 . . 8.250 5.248 3.993 6.860 . 0 0 "[ . 1 . 2]" 1
65 1 6 SER HB3 1 59 VAL MG2 . . 8.250 3.015 1.908 4.677 . 0 0 "[ . 1 . 2]" 1
66 1 6 SER HB3 1 60 GLU HA . . 5.500 5.046 4.598 5.606 0.106 19 0 "[ . 1 . 2]" 1
67 1 7 SER H 1 7 SER HB2 . . 3.390 3.301 2.435 3.463 0.073 19 0 "[ . 1 . 2]" 1
68 1 7 SER H 1 7 SER QB . . 3.150 2.461 2.262 3.046 . 0 0 "[ . 1 . 2]" 1
69 1 7 SER H 1 7 SER HB3 . . 3.390 2.599 2.323 3.574 0.184 18 0 "[ . 1 . 2]" 1
70 1 7 SER H 1 89 ASN H . . 4.260 4.183 3.837 4.382 0.122 18 0 "[ . 1 . 2]" 1
71 1 7 SER H 1 90 LYS HA . . 4.410 2.671 1.929 4.178 . 0 0 "[ . 1 . 2]" 1
72 1 7 SER H 1 91 ILE H . . 4.570 3.064 2.387 3.576 . 0 0 "[ . 1 . 2]" 1
73 1 7 SER H 1 91 ILE MD . . 6.220 3.859 1.847 4.283 . 0 0 "[ . 1 . 2]" 1
74 1 7 SER H 1 91 ILE HG12 . . 5.500 4.880 2.539 5.582 0.082 1 0 "[ . 1 . 2]" 1
75 1 7 SER H 1 91 ILE HG13 . . 5.500 4.716 2.407 5.597 0.097 7 0 "[ . 1 . 2]" 1
76 1 7 SER H 1 91 ILE MG . . 5.190 3.596 3.111 4.412 . 0 0 "[ . 1 . 2]" 1
77 1 7 SER HA 1 8 ILE H . . 2.990 2.306 2.227 2.382 . 0 0 "[ . 1 . 2]" 1
78 1 7 SER HA 1 8 ILE QG . . 5.630 3.999 3.209 4.606 . 0 0 "[ . 1 . 2]" 1
79 1 7 SER HA 1 58 VAL HA . . 2.770 2.336 1.991 2.731 . 0 0 "[ . 1 . 2]" 1
80 1 7 SER HA 1 58 VAL MG1 . . 4.850 3.706 3.391 3.964 . 0 0 "[ . 1 . 2]" 1
81 1 7 SER HA 1 58 VAL QG . . 4.430 3.081 2.768 3.249 . 0 0 "[ . 1 . 2]" 1
82 1 7 SER HA 1 58 VAL MG2 . . 4.850 3.320 2.934 3.690 . 0 0 "[ . 1 . 2]" 1
83 1 7 SER HA 1 59 VAL H . . 3.550 3.193 2.388 3.607 0.057 14 0 "[ . 1 . 2]" 1
84 1 7 SER QB 1 91 ILE MD . . 5.310 1.773 1.640 1.960 . 0 0 "[ . 1 . 2]" 1
85 1 7 SER QB 1 91 ILE MG . . 4.270 2.860 1.854 3.325 . 0 0 "[ . 1 . 2]" 1
86 1 7 SER HB2 1 8 ILE H . . 5.500 3.919 3.085 4.385 . 0 0 "[ . 1 . 2]" 1
87 1 7 SER HB2 1 91 ILE MD . . 5.720 1.999 1.746 3.322 . 0 0 "[ . 1 . 2]" 1
88 1 7 SER HB2 1 91 ILE MG . . 4.480 3.176 1.877 3.736 . 0 0 "[ . 1 . 2]" 1
89 1 7 SER HB3 1 8 ILE H . . 5.500 4.213 3.625 4.657 . 0 0 "[ . 1 . 2]" 1
90 1 7 SER HB3 1 91 ILE MD . . 5.720 2.495 1.841 3.252 . 0 0 "[ . 1 . 2]" 1
91 1 7 SER HB3 1 91 ILE MG . . 4.480 3.408 1.916 3.809 . 0 0 "[ . 1 . 2]" 1
92 1 8 ILE H 1 8 ILE HB . . 2.990 2.710 2.317 2.895 . 0 0 "[ . 1 . 2]" 1
93 1 8 ILE H 1 8 ILE HG12 . . 5.100 3.971 1.989 4.867 . 0 0 "[ . 1 . 2]" 1
94 1 8 ILE H 1 8 ILE QG . . 4.570 3.209 1.977 3.854 . 0 0 "[ . 1 . 2]" 1
95 1 8 ILE H 1 8 ILE HG13 . . 5.100 3.726 3.006 4.221 . 0 0 "[ . 1 . 2]" 1
96 1 8 ILE H 1 57 CYS H . . 4.070 2.982 2.610 3.509 . 0 0 "[ . 1 . 2]" 1
97 1 8 ILE H 1 58 VAL HA . . 3.800 3.773 3.483 3.865 0.065 20 0 "[ . 1 . 2]" 1
98 1 8 ILE HB 1 8 ILE HG12 . . 3.020 2.671 2.380 2.968 . 0 0 "[ . 1 . 2]" 1
99 1 8 ILE HB 1 8 ILE HG13 . . 3.020 2.768 2.347 3.011 . 0 0 "[ . 1 . 2]" 1
100 1 8 ILE HB 1 9 LEU H . . 4.350 4.386 4.123 4.576 0.226 10 0 "[ . 1 . 2]" 1
101 1 8 ILE HB 1 57 CYS H . . 4.660 4.388 3.756 4.692 0.032 15 0 "[ . 1 . 2]" 1
102 1 8 ILE MD 1 88 PHE QD . . 8.650 3.628 2.382 4.534 . 0 0 "[ . 1 . 2]" 1
103 1 8 ILE MD 1 88 PHE HZ . . 5.750 3.711 2.776 4.472 . 0 0 "[ . 1 . 2]" 1
104 1 8 ILE QG 1 88 PHE HA . . 5.690 3.330 2.105 5.121 . 0 0 "[ . 1 . 2]" 1
105 1 8 ILE MG 1 9 LEU H . . 4.330 2.842 2.222 3.236 . 0 0 "[ . 1 . 2]" 1
106 1 8 ILE MG 1 57 CYS H . . 6.530 4.934 3.950 5.326 . 0 0 "[ . 1 . 2]" 1
107 1 8 ILE MG 1 66 THR HB . . 4.790 3.625 3.200 3.930 . 0 0 "[ . 1 . 2]" 1
108 1 8 ILE MG 1 85 VAL HA . . 5.880 4.400 3.834 4.869 . 0 0 "[ . 1 . 2]" 1
109 1 8 ILE MG 1 87 ALA H . . 6.530 3.959 3.300 5.000 . 0 0 "[ . 1 . 2]" 1
110 1 9 LEU H 1 9 LEU HB2 . . 3.360 2.681 2.434 3.084 . 0 0 "[ . 1 . 2]" 1
111 1 9 LEU H 1 9 LEU QB . . 3.100 2.309 2.242 2.430 . 0 0 "[ . 1 . 2]" 1
112 1 9 LEU H 1 9 LEU HB3 . . 3.360 2.533 2.449 2.624 . 0 0 "[ . 1 . 2]" 1
113 1 9 LEU H 1 9 LEU HG . . 5.220 4.447 4.317 4.506 . 0 0 "[ . 1 . 2]" 1
114 1 9 LEU H 1 10 LEU H . . 5.190 4.383 4.045 4.566 . 0 0 "[ . 1 . 2]" 1
115 1 9 LEU H 1 87 ALA H . . 4.040 3.636 2.800 3.994 . 0 0 "[ . 1 . 2]" 1
116 1 9 LEU H 1 87 ALA MB . . 5.380 3.498 2.965 4.105 . 0 0 "[ . 1 . 2]" 1
117 1 9 LEU HA 1 9 LEU HG . . 4.010 2.857 2.681 3.038 . 0 0 "[ . 1 . 2]" 1
118 1 9 LEU HA 1 10 LEU H . . 2.490 2.205 2.177 2.290 . 0 0 "[ . 1 . 2]" 1
119 1 9 LEU HA 1 56 GLN HA . . 2.830 2.444 2.117 2.816 . 0 0 "[ . 1 . 2]" 1
120 1 9 LEU HA 1 57 CYS H . . 4.070 3.728 3.442 4.089 0.019 14 0 "[ . 1 . 2]" 1
121 1 9 LEU QB 1 9 LEU HG . . 2.590 2.444 2.392 2.504 . 0 0 "[ . 1 . 2]" 1
122 1 9 LEU QB 1 10 LEU H . . 5.730 3.885 3.600 4.044 . 0 0 "[ . 1 . 2]" 1
123 1 9 LEU QB 1 86 ALA H . . 6.380 3.952 3.465 4.261 . 0 0 "[ . 1 . 2]" 1
124 1 9 LEU QB 1 86 ALA MB . . 4.510 2.195 1.975 2.473 . 0 0 "[ . 1 . 2]" 1
125 1 9 LEU QB 1 87 ALA H . . 4.800 3.661 3.091 4.004 . 0 0 "[ . 1 . 2]" 1
126 1 9 LEU QB 1 87 ALA MB . . 5.450 2.938 2.374 3.285 . 0 0 "[ . 1 . 2]" 1
127 1 9 LEU HB2 1 86 ALA MB . . 4.980 3.700 3.483 3.935 . 0 0 "[ . 1 . 2]" 1
128 1 9 LEU HB3 1 86 ALA MB . . 4.980 2.212 1.985 2.500 . 0 0 "[ . 1 . 2]" 1
129 1 9 LEU QD 1 10 LEU H . . 7.480 3.196 2.827 3.683 . 0 0 "[ . 1 . 2]" 1
130 1 9 LEU QD 1 42 LYS QG . . 8.140 2.985 2.122 3.603 . 0 0 "[ . 1 . 2]" 1
131 1 9 LEU QD 1 54 GLN QB . . 5.800 3.566 2.810 3.787 . 0 0 "[ . 1 . 2]" 1
132 1 9 LEU QD 1 54 GLN QE . . 5.940 2.082 1.846 2.315 . 0 0 "[ . 1 . 2]" 1
133 1 9 LEU QD 1 54 GLN QG . . 6.710 2.252 1.744 3.276 . 0 0 "[ . 1 . 2]" 1
134 1 9 LEU QD 1 56 GLN HA . . 5.470 2.287 1.959 2.733 . 0 0 "[ . 1 . 2]" 1
135 1 9 LEU QD 1 56 GLN QB . . 7.630 1.862 1.753 2.038 . 0 0 "[ . 1 . 2]" 1
136 1 9 LEU QD 1 56 GLN QG . . 6.990 3.081 2.709 3.429 . 0 0 "[ . 1 . 2]" 1
137 1 9 LEU QD 1 86 ALA MB . . 7.820 2.102 1.886 2.467 . 0 0 "[ . 1 . 2]" 1
138 1 9 LEU QD 1 87 ALA H . . 8.100 4.652 4.292 5.093 . 0 0 "[ . 1 . 2]" 1
139 1 9 LEU QD 1 87 ALA MB . . 7.950 3.403 2.776 3.929 . 0 0 "[ . 1 . 2]" 1
140 1 9 LEU MD1 1 54 GLN HB2 . . 7.500 4.655 4.248 5.007 . 0 0 "[ . 1 . 2]" 1
141 1 9 LEU MD1 1 54 GLN HB3 . . 7.500 4.361 2.932 4.925 . 0 0 "[ . 1 . 2]" 1
142 1 9 LEU MD1 1 54 GLN HE21 . . 6.530 3.681 3.213 4.506 . 0 0 "[ . 1 . 2]" 1
143 1 9 LEU MD1 1 54 GLN HE22 . . 6.530 4.128 3.686 5.092 . 0 0 "[ . 1 . 2]" 1
144 1 9 LEU MD1 1 56 GLN HA . . 6.120 2.291 1.961 2.743 . 0 0 "[ . 1 . 2]" 1
145 1 9 LEU MD1 1 56 GLN HB2 . . 9.260 1.876 1.767 2.055 . 0 0 "[ . 1 . 2]" 1
146 1 9 LEU MD1 1 56 GLN HB3 . . 9.260 3.269 3.116 3.480 . 0 0 "[ . 1 . 2]" 1
147 1 9 LEU MD1 1 56 GLN HG2 . . 8.280 3.730 3.358 4.120 . 0 0 "[ . 1 . 2]" 1
148 1 9 LEU MD1 1 56 GLN HG3 . . 8.280 3.416 2.816 3.996 . 0 0 "[ . 1 . 2]" 1
149 1 9 LEU MD2 1 54 GLN HB2 . . 7.500 4.565 4.406 4.977 . 0 0 "[ . 1 . 2]" 1
150 1 9 LEU MD2 1 54 GLN HB3 . . 7.500 4.732 3.550 5.273 . 0 0 "[ . 1 . 2]" 1
151 1 9 LEU MD2 1 54 GLN HE21 . . 6.530 2.724 1.926 3.062 . 0 0 "[ . 1 . 2]" 1
152 1 9 LEU MD2 1 54 GLN HE22 . . 6.530 2.279 1.901 3.377 . 0 0 "[ . 1 . 2]" 1
153 1 9 LEU MD2 1 56 GLN HA . . 6.120 4.982 4.732 5.142 . 0 0 "[ . 1 . 2]" 1
154 1 9 LEU MD2 1 56 GLN HB2 . . 9.260 4.166 3.566 4.540 . 0 0 "[ . 1 . 2]" 1
155 1 9 LEU MD2 1 56 GLN HB3 . . 9.260 5.601 4.987 5.997 . 0 0 "[ . 1 . 2]" 1
156 1 9 LEU MD2 1 56 GLN HG2 . . 8.280 5.747 5.181 6.331 . 0 0 "[ . 1 . 2]" 1
157 1 9 LEU MD2 1 56 GLN HG3 . . 8.280 5.536 4.575 6.274 . 0 0 "[ . 1 . 2]" 1
158 1 9 LEU HG 1 54 GLN HA . . 4.690 4.715 4.692 4.782 0.092 13 0 "[ . 1 . 2]" 1
159 1 9 LEU HG 1 54 GLN QG . . 4.760 2.710 2.223 3.544 . 0 0 "[ . 1 . 2]" 1
160 1 10 LEU H 1 10 LEU HB2 . . 3.610 2.392 2.167 2.685 . 0 0 "[ . 1 . 2]" 1
161 1 10 LEU H 1 10 LEU QB . . 3.300 2.346 2.146 2.576 . 0 0 "[ . 1 . 2]" 1
162 1 10 LEU H 1 10 LEU HB3 . . 3.610 3.484 2.940 3.678 0.068 14 0 "[ . 1 . 2]" 1
163 1 10 LEU H 1 10 LEU MD1 . . 5.720 2.694 1.808 4.021 . 0 0 "[ . 1 . 2]" 1
164 1 10 LEU H 1 10 LEU MD2 . . 5.720 4.258 3.935 4.586 . 0 0 "[ . 1 . 2]" 1
165 1 10 LEU H 1 10 LEU HG . . 4.630 3.981 2.891 4.637 0.007 5 0 "[ . 1 . 2]" 1
166 1 10 LEU H 1 54 GLN QG . . 6.380 4.076 3.555 4.856 . 0 0 "[ . 1 . 2]" 1
167 1 10 LEU H 1 55 ILE H . . 3.550 3.174 2.847 3.529 . 0 0 "[ . 1 . 2]" 1
168 1 10 LEU H 1 56 GLN HA . . 4.140 3.500 3.074 3.985 . 0 0 "[ . 1 . 2]" 1
169 1 10 LEU HA 1 10 LEU HG . . 2.800 2.436 2.280 2.620 . 0 0 "[ . 1 . 2]" 1
170 1 10 LEU HA 1 11 ASP H . . 3.140 2.338 2.202 2.465 . 0 0 "[ . 1 . 2]" 1
171 1 10 LEU HA 1 85 VAL HA . . 3.210 2.841 2.418 3.217 0.007 16 0 "[ . 1 . 2]" 1
172 1 10 LEU HA 1 86 ALA H . . 2.870 2.720 2.500 2.885 0.015 18 0 "[ . 1 . 2]" 1
173 1 10 LEU HA 1 86 ALA MB . . 5.940 3.044 2.458 3.565 . 0 0 "[ . 1 . 2]" 1
174 1 10 LEU HA 1 87 ALA H . . 4.600 4.518 4.250 4.619 0.019 16 0 "[ . 1 . 2]" 1
175 1 10 LEU QB 1 10 LEU HG . . 2.600 2.430 2.330 2.546 . 0 0 "[ . 1 . 2]" 1
176 1 10 LEU QB 1 11 ASP H . . 3.730 2.878 2.691 3.175 . 0 0 "[ . 1 . 2]" 1
177 1 10 LEU QB 1 55 ILE MD . . 5.670 1.934 1.710 2.450 . 0 0 "[ . 1 . 2]" 1
178 1 10 LEU QB 1 86 ALA H . . 6.380 4.796 4.542 4.991 . 0 0 "[ . 1 . 2]" 1
179 1 10 LEU HB2 1 11 ASP H . . 4.110 4.103 3.955 4.167 0.057 13 0 "[ . 1 . 2]" 1
180 1 10 LEU HB3 1 11 ASP H . . 4.110 2.943 2.738 3.300 . 0 0 "[ . 1 . 2]" 1
181 1 10 LEU QD 1 11 ASP H . . 8.100 3.828 3.081 4.404 . 0 0 "[ . 1 . 2]" 1
182 1 10 LEU QD 1 38 TRP HH2 . . 6.300 3.869 3.364 4.451 . 0 0 "[ . 1 . 2]" 1
183 1 10 LEU QD 1 69 LEU QD . . 9.270 3.073 2.186 4.079 . 0 0 "[ . 1 . 2]" 1
184 1 10 LEU QD 1 73 ILE MD . . 9.130 2.761 2.035 4.702 . 0 0 "[ . 1 . 2]" 1
185 1 10 LEU HG 1 85 VAL HA . . 3.480 3.328 2.826 3.507 0.027 19 0 "[ . 1 . 2]" 1
186 1 10 LEU HG 1 86 ALA H . . 4.880 4.295 3.890 4.788 . 0 0 "[ . 1 . 2]" 1
187 1 11 ASP H 1 11 ASP HB2 . . 3.360 2.771 2.477 3.343 . 0 0 "[ . 1 . 2]" 1
188 1 11 ASP H 1 11 ASP QB . . 3.070 2.505 2.324 2.704 . 0 0 "[ . 1 . 2]" 1
189 1 11 ASP H 1 11 ASP HB3 . . 3.360 3.023 2.487 3.395 0.035 10 0 "[ . 1 . 2]" 1
190 1 11 ASP H 1 83 MET ME . . 6.530 4.802 4.408 5.249 . 0 0 "[ . 1 . 2]" 1
191 1 11 ASP H 1 84 ASP H . . 3.800 3.153 2.753 3.332 . 0 0 "[ . 1 . 2]" 1
192 1 11 ASP H 1 84 ASP QB . . 6.380 3.930 3.307 4.292 . 0 0 "[ . 1 . 2]" 1
193 1 11 ASP H 1 85 VAL HA . . 4.040 3.583 3.128 4.017 . 0 0 "[ . 1 . 2]" 1
194 1 11 ASP H 1 85 VAL QG . . 6.970 4.646 4.285 4.942 . 0 0 "[ . 1 . 2]" 1
195 1 11 ASP HA 1 12 VAL H . . 2.490 2.304 2.259 2.397 . 0 0 "[ . 1 . 2]" 1
196 1 11 ASP HA 1 53 LEU H . . 5.100 4.778 4.459 5.111 0.011 6 0 "[ . 1 . 2]" 1
197 1 11 ASP HA 1 54 GLN HA . . 2.900 2.225 2.114 2.412 . 0 0 "[ . 1 . 2]" 1
198 1 11 ASP HA 1 54 GLN QB . . 5.850 3.272 2.622 4.020 . 0 0 "[ . 1 . 2]" 1
199 1 11 ASP HA 1 54 GLN QG . . 6.380 3.542 1.951 4.035 . 0 0 "[ . 1 . 2]" 1
200 1 11 ASP HA 1 55 ILE H . . 3.730 3.731 3.528 3.782 0.052 10 0 "[ . 1 . 2]" 1
201 1 11 ASP QB 1 52 LYS QD . . 7.250 3.883 3.037 4.936 . 0 0 "[ . 1 . 2]" 1
202 1 11 ASP QB 1 52 LYS QG . . 5.950 4.304 3.923 4.548 . 0 0 "[ . 1 . 2]" 1
203 1 11 ASP QB 1 84 ASP H . . 5.010 4.048 3.722 4.341 . 0 0 "[ . 1 . 2]" 1
204 1 11 ASP QB 1 84 ASP QB . . 4.690 3.299 2.675 3.576 . 0 0 "[ . 1 . 2]" 1
205 1 11 ASP QB 1 86 ALA MB . . 5.250 2.484 1.963 2.812 . 0 0 "[ . 1 . 2]" 1
206 1 11 ASP HB2 1 52 LYS HG2 . . 7.250 5.532 4.803 6.174 . 0 0 "[ . 1 . 2]" 1
207 1 11 ASP HB2 1 52 LYS HG3 . . 7.250 6.766 5.090 7.208 . 0 0 "[ . 1 . 2]" 1
208 1 11 ASP HB2 1 84 ASP HB2 . . 5.800 4.608 3.666 5.381 . 0 0 "[ . 1 . 2]" 1
209 1 11 ASP HB2 1 84 ASP HB3 . . 5.800 5.165 4.246 5.779 . 0 0 "[ . 1 . 2]" 1
210 1 11 ASP HB2 1 86 ALA MB . . 5.540 2.523 1.972 2.854 . 0 0 "[ . 1 . 2]" 1
211 1 11 ASP HB3 1 52 LYS HG2 . . 7.250 4.922 4.163 6.587 . 0 0 "[ . 1 . 2]" 1
212 1 11 ASP HB3 1 52 LYS HG3 . . 7.250 6.037 4.767 6.972 . 0 0 "[ . 1 . 2]" 1
213 1 11 ASP HB3 1 84 ASP HB2 . . 5.800 3.601 2.783 4.058 . 0 0 "[ . 1 . 2]" 1
214 1 11 ASP HB3 1 84 ASP HB3 . . 5.800 4.537 3.789 5.198 . 0 0 "[ . 1 . 2]" 1
215 1 11 ASP HB3 1 86 ALA MB . . 5.540 3.823 2.791 4.314 . 0 0 "[ . 1 . 2]" 1
216 1 12 VAL H 1 12 VAL HB . . 3.240 2.528 2.307 3.284 0.044 19 0 "[ . 1 . 2]" 1
217 1 12 VAL H 1 53 LEU H . . 4.070 3.875 2.986 4.092 0.022 15 0 "[ . 1 . 2]" 1
218 1 12 VAL H 1 53 LEU QD . . 8.100 4.052 3.531 4.422 . 0 0 "[ . 1 . 2]" 1
219 1 12 VAL H 1 54 GLN HA . . 3.640 3.193 2.676 3.486 . 0 0 "[ . 1 . 2]" 1
220 1 12 VAL HA 1 13 LYS H . . 2.650 2.320 2.204 2.395 . 0 0 "[ . 1 . 2]" 1
221 1 12 VAL HA 1 83 MET HA . . 2.460 2.214 1.993 2.404 . 0 0 "[ . 1 . 2]" 1
222 1 12 VAL HA 1 83 MET QG . . 5.380 3.540 3.230 3.771 . 0 0 "[ . 1 . 2]" 1
223 1 12 VAL HA 1 84 ASP H . . 4.690 3.365 3.163 3.668 . 0 0 "[ . 1 . 2]" 1
224 1 12 VAL HB 1 13 LYS H . . 3.890 3.879 3.570 3.926 0.036 20 0 "[ . 1 . 2]" 1
225 1 12 VAL HB 1 53 LEU H . . 5.310 4.474 3.978 5.163 . 0 0 "[ . 1 . 2]" 1
226 1 12 VAL QG 1 13 LYS H . . 6.630 2.123 1.915 3.070 . 0 0 "[ . 1 . 2]" 1
227 1 12 VAL QG 1 19 THR MG . . 8.650 4.590 4.246 5.291 . 0 0 "[ . 1 . 2]" 1
228 1 12 VAL QG 1 80 VAL HA . . 6.850 2.940 2.691 3.997 . 0 0 "[ . 1 . 2]" 1
229 1 12 VAL QG 1 80 VAL QG . . 9.000 1.614 1.531 1.742 . 0 0 "[ . 1 . 2]" 1
230 1 12 VAL QG 1 83 MET HA . . 6.600 2.457 2.003 2.920 . 0 0 "[ . 1 . 2]" 1
231 1 12 VAL QG 1 83 MET HB2 . . 5.980 2.216 1.836 2.928 . 0 0 "[ . 1 . 2]" 1
232 1 12 VAL QG 1 83 MET HB3 . . 5.980 3.484 3.155 4.018 . 0 0 "[ . 1 . 2]" 1
233 1 12 VAL QG 1 83 MET HG2 . . 6.100 2.858 1.952 3.724 . 0 0 "[ . 1 . 2]" 1
234 1 12 VAL QG 1 83 MET QG . . 5.840 2.140 1.801 2.674 . 0 0 "[ . 1 . 2]" 1
235 1 12 VAL QG 1 83 MET HG3 . . 6.100 2.390 1.812 3.049 . 0 0 "[ . 1 . 2]" 1
236 1 13 LYS H 1 13 LYS HA . . 2.900 2.935 2.900 2.939 0.039 8 0 "[ . 1 . 2]" 1
237 1 13 LYS H 1 13 LYS HB2 . . 3.020 2.596 2.241 2.905 . 0 0 "[ . 1 . 2]" 1
238 1 13 LYS H 1 13 LYS HB3 . . 3.020 2.928 2.659 3.052 0.032 18 0 "[ . 1 . 2]" 1
239 1 13 LYS H 1 13 LYS QD . . 4.830 4.259 4.037 4.402 . 0 0 "[ . 1 . 2]" 1
240 1 13 LYS H 1 13 LYS HG2 . . 5.500 4.719 4.406 4.916 . 0 0 "[ . 1 . 2]" 1
241 1 13 LYS H 1 13 LYS HG3 . . 5.500 4.499 4.131 4.925 . 0 0 "[ . 1 . 2]" 1
242 1 13 LYS H 1 14 PRO QD . . 5.790 4.196 4.108 4.294 . 0 0 "[ . 1 . 2]" 1
243 1 13 LYS H 1 80 VAL QG . . 7.810 3.126 2.739 3.479 . 0 0 "[ . 1 . 2]" 1
244 1 13 LYS H 1 82 SER H . . 3.980 2.835 2.710 2.970 . 0 0 "[ . 1 . 2]" 1
245 1 13 LYS H 1 83 MET HA . . 3.480 3.399 3.070 3.536 0.056 19 0 "[ . 1 . 2]" 1
246 1 13 LYS HA 1 13 LYS QG . . 3.860 2.027 1.957 2.219 . 0 0 "[ . 1 . 2]" 1
247 1 13 LYS HA 1 14 PRO HD2 . . 2.650 2.384 2.298 2.499 . 0 0 "[ . 1 . 2]" 1
248 1 13 LYS HA 1 14 PRO HD3 . . 2.650 1.917 1.909 1.940 . 0 0 "[ . 1 . 2]" 1
249 1 13 LYS HA 1 14 PRO QG . . 5.520 3.819 3.807 3.847 . 0 0 "[ . 1 . 2]" 1
250 1 13 LYS QB 1 14 PRO QD . . 4.460 3.374 3.189 3.523 . 0 0 "[ . 1 . 2]" 1
251 1 13 LYS HB2 1 13 LYS QD . . 3.460 2.460 2.059 3.247 . 0 0 "[ . 1 . 2]" 1
252 1 13 LYS HB2 1 14 PRO HD2 . . 4.940 4.339 4.245 4.452 . 0 0 "[ . 1 . 2]" 1
253 1 13 LYS HB2 1 14 PRO HD3 . . 4.940 4.557 4.461 4.641 . 0 0 "[ . 1 . 2]" 1
254 1 13 LYS HB3 1 13 LYS QD . . 3.460 2.730 2.152 3.135 . 0 0 "[ . 1 . 2]" 1
255 1 13 LYS HB3 1 14 PRO HD2 . . 4.940 3.905 3.547 4.365 . 0 0 "[ . 1 . 2]" 1
256 1 13 LYS HB3 1 14 PRO HD3 . . 4.940 4.499 4.284 4.749 . 0 0 "[ . 1 . 2]" 1
257 1 14 PRO HA 1 15 TRP H . . 2.960 2.250 2.175 2.386 . 0 0 "[ . 1 . 2]" 1
258 1 14 PRO HA 1 16 ASP H . . 4.910 3.840 3.598 4.118 . 0 0 "[ . 1 . 2]" 1
259 1 14 PRO HA 1 19 THR MG . . 5.660 2.368 1.974 2.777 . 0 0 "[ . 1 . 2]" 1
260 1 14 PRO HA 1 24 LEU QD . . 6.330 2.949 2.666 3.173 . 0 0 "[ . 1 . 2]" 1
261 1 14 PRO HA 1 80 VAL HA . . 3.240 3.128 2.885 3.261 0.021 13 0 "[ . 1 . 2]" 1
262 1 14 PRO HA 1 81 GLN H . . 3.450 3.243 2.953 3.398 . 0 0 "[ . 1 . 2]" 1
263 1 14 PRO HA 1 82 SER H . . 5.500 5.330 5.060 5.470 . 0 0 "[ . 1 . 2]" 1
264 1 14 PRO QB 1 15 TRP H . . 3.620 3.056 2.712 3.285 . 0 0 "[ . 1 . 2]" 1
265 1 14 PRO QB 1 16 ASP H . . 3.890 2.441 2.192 2.629 . 0 0 "[ . 1 . 2]" 1
266 1 14 PRO QB 1 19 THR HA . . 5.210 4.528 4.310 4.715 . 0 0 "[ . 1 . 2]" 1
267 1 14 PRO QB 1 19 THR MG . . 4.650 1.920 1.769 2.045 . 0 0 "[ . 1 . 2]" 1
268 1 14 PRO QB 1 24 LEU QD . . 5.900 2.603 2.368 2.860 . 0 0 "[ . 1 . 2]" 1
269 1 14 PRO HB2 1 15 TRP H . . 3.980 3.257 2.834 3.541 . 0 0 "[ . 1 . 2]" 1
270 1 14 PRO HB2 1 16 ASP H . . 4.110 2.464 2.207 2.661 . 0 0 "[ . 1 . 2]" 1
271 1 14 PRO HB2 1 19 THR HA . . 5.500 5.032 4.822 5.229 . 0 0 "[ . 1 . 2]" 1
272 1 14 PRO HB2 1 19 THR MG . . 4.850 2.748 2.542 2.955 . 0 0 "[ . 1 . 2]" 1
273 1 14 PRO HB2 1 24 LEU MD1 . . 7.740 3.973 3.816 4.247 . 0 0 "[ . 1 . 2]" 1
274 1 14 PRO HB2 1 24 LEU MD2 . . 7.740 6.371 6.197 6.455 . 0 0 "[ . 1 . 2]" 1
275 1 14 PRO HB3 1 15 TRP H . . 3.980 3.710 3.461 3.890 . 0 0 "[ . 1 . 2]" 1
276 1 14 PRO HB3 1 16 ASP H . . 4.110 3.959 3.756 4.094 . 0 0 "[ . 1 . 2]" 1
277 1 14 PRO HB3 1 19 THR HA . . 5.500 5.138 4.854 5.362 . 0 0 "[ . 1 . 2]" 1
278 1 14 PRO HB3 1 19 THR MG . . 4.850 1.961 1.804 2.093 . 0 0 "[ . 1 . 2]" 1
279 1 14 PRO HB3 1 24 LEU MD1 . . 7.740 2.653 2.396 2.936 . 0 0 "[ . 1 . 2]" 1
280 1 14 PRO HB3 1 24 LEU MD2 . . 7.740 4.975 4.778 5.160 . 0 0 "[ . 1 . 2]" 1
281 1 14 PRO QD 1 21 MET ME . . 5.500 3.174 2.917 3.645 . 0 0 "[ . 1 . 2]" 1
282 1 14 PRO QD 1 50 ILE QG . . 6.380 4.786 4.648 4.925 . 0 0 "[ . 1 . 2]" 1
283 1 14 PRO QD 1 50 ILE MG . . 5.030 2.983 2.692 3.240 . 0 0 "[ . 1 . 2]" 1
284 1 14 PRO QD 1 53 LEU H . . 6.380 2.961 2.560 3.392 . 0 0 "[ . 1 . 2]" 1
285 1 14 PRO HD2 1 21 MET ME . . 6.030 4.068 3.773 4.523 . 0 0 "[ . 1 . 2]" 1
286 1 14 PRO HD2 1 50 ILE MG . . 5.540 3.080 2.764 3.356 . 0 0 "[ . 1 . 2]" 1
287 1 14 PRO HD3 1 21 MET ME . . 6.030 3.315 3.002 3.845 . 0 0 "[ . 1 . 2]" 1
288 1 14 PRO HD3 1 50 ILE MG . . 5.540 4.002 3.601 4.381 . 0 0 "[ . 1 . 2]" 1
289 1 14 PRO QG 1 16 ASP H . . 6.380 4.050 3.785 4.255 . 0 0 "[ . 1 . 2]" 1
290 1 14 PRO QG 1 19 THR MG . . 6.350 3.625 3.292 3.803 . 0 0 "[ . 1 . 2]" 1
291 1 14 PRO QG 1 50 ILE MG . . 4.860 2.100 1.795 2.499 . 0 0 "[ . 1 . 2]" 1
292 1 14 PRO HG2 1 50 ILE MG . . 5.230 2.126 1.817 2.533 . 0 0 "[ . 1 . 2]" 1
293 1 14 PRO HG3 1 50 ILE MG . . 5.230 3.275 2.792 3.817 . 0 0 "[ . 1 . 2]" 1
294 1 15 TRP H 1 15 TRP HB2 . . 3.730 2.082 2.010 2.237 . 0 0 "[ . 1 . 2]" 1
295 1 15 TRP H 1 15 TRP QB . . 3.460 2.063 1.992 2.213 . 0 0 "[ . 1 . 2]" 1
296 1 15 TRP H 1 15 TRP HB3 . . 3.730 3.369 3.256 3.499 . 0 0 "[ . 1 . 2]" 1
297 1 15 TRP H 1 16 ASP H . . 3.670 2.676 2.417 2.874 . 0 0 "[ . 1 . 2]" 1
298 1 15 TRP H 1 19 THR MG . . 5.750 2.761 2.395 3.151 . 0 0 "[ . 1 . 2]" 1
299 1 15 TRP H 1 24 LEU QD . . 8.100 3.934 3.690 4.232 . 0 0 "[ . 1 . 2]" 1
300 1 15 TRP H 1 81 GLN H . . 4.910 3.776 3.501 4.161 . 0 0 "[ . 1 . 2]" 1
301 1 15 TRP H 1 81 GLN QB . . 6.380 3.391 3.124 3.602 . 0 0 "[ . 1 . 2]" 1
302 1 15 TRP H 1 81 GLN QG . . 6.380 5.035 4.803 5.223 . 0 0 "[ . 1 . 2]" 1
303 1 15 TRP HA 1 15 TRP HE3 . . 3.700 2.121 1.992 2.439 . 0 0 "[ . 1 . 2]" 1
304 1 15 TRP HA 1 81 GLN H . . 5.220 4.109 3.756 4.287 . 0 0 "[ . 1 . 2]" 1
305 1 15 TRP HA 1 81 GLN HA . . 3.550 3.536 3.371 3.604 0.054 17 0 "[ . 1 . 2]" 1
306 1 15 TRP HA 1 81 GLN HB2 . . 4.170 2.054 1.977 2.195 . 0 0 "[ . 1 . 2]" 1
307 1 15 TRP HA 1 81 GLN QB . . 3.730 2.045 1.969 2.184 . 0 0 "[ . 1 . 2]" 1
308 1 15 TRP HA 1 81 GLN HB3 . . 4.170 3.776 3.683 3.924 . 0 0 "[ . 1 . 2]" 1
309 1 15 TRP HA 1 81 GLN HG2 . . 5.340 4.265 4.039 4.400 . 0 0 "[ . 1 . 2]" 1
310 1 15 TRP HA 1 81 GLN QG . . 5.010 2.810 2.698 2.941 . 0 0 "[ . 1 . 2]" 1
311 1 15 TRP HA 1 81 GLN HG3 . . 5.340 2.850 2.733 2.987 . 0 0 "[ . 1 . 2]" 1
312 1 15 TRP QB 1 16 ASP H . . 3.890 2.933 2.784 3.140 . 0 0 "[ . 1 . 2]" 1
313 1 15 TRP HB2 1 16 ASP H . . 4.230 3.192 2.932 3.527 . 0 0 "[ . 1 . 2]" 1
314 1 15 TRP HB3 1 16 ASP H . . 4.230 3.432 3.211 3.623 . 0 0 "[ . 1 . 2]" 1
315 1 15 TRP HD1 1 79 TYR HA . . 3.800 2.885 2.521 3.287 . 0 0 "[ . 1 . 2]" 1
316 1 15 TRP HE1 1 77 GLU HA . . 5.500 3.535 2.767 4.134 . 0 0 "[ . 1 . 2]" 1
317 1 15 TRP HE1 1 78 ASP HA . . 5.500 3.429 2.803 4.040 . 0 0 "[ . 1 . 2]" 1
318 1 15 TRP HE1 1 79 TYR H . . 5.500 3.790 3.203 4.184 . 0 0 "[ . 1 . 2]" 1
319 1 15 TRP HE1 1 80 VAL H . . 5.500 4.678 3.923 5.133 . 0 0 "[ . 1 . 2]" 1
320 1 15 TRP HE3 1 81 GLN HA . . 4.170 4.168 4.095 4.197 0.027 11 0 "[ . 1 . 2]" 1
321 1 15 TRP HE3 1 81 GLN HG2 . . 5.410 4.169 3.871 4.373 . 0 0 "[ . 1 . 2]" 1
322 1 15 TRP HE3 1 81 GLN HG3 . . 5.410 2.494 2.318 2.637 . 0 0 "[ . 1 . 2]" 1
323 1 15 TRP HH2 1 81 GLN HG2 . . 3.980 3.872 3.712 3.986 0.006 14 0 "[ . 1 . 2]" 1
324 1 15 TRP HH2 1 81 GLN QG . . 3.740 3.416 3.379 3.433 . 0 0 "[ . 1 . 2]" 1
325 1 15 TRP HH2 1 81 GLN HG3 . . 3.980 3.810 3.669 3.964 . 0 0 "[ . 1 . 2]" 1
326 1 15 TRP HZ3 1 81 GLN HA . . 4.690 4.585 4.400 4.699 0.009 7 0 "[ . 1 . 2]" 1
327 1 15 TRP HZ3 1 81 GLN HG2 . . 5.130 3.532 3.198 3.803 . 0 0 "[ . 1 . 2]" 1
328 1 15 TRP HZ3 1 81 GLN QG . . 4.750 2.465 2.322 2.618 . 0 0 "[ . 1 . 2]" 1
329 1 15 TRP HZ3 1 81 GLN HG3 . . 5.130 2.517 2.384 2.668 . 0 0 "[ . 1 . 2]" 1
330 1 16 ASP H 1 19 THR H . . 4.410 2.906 2.663 3.225 . 0 0 "[ . 1 . 2]" 1
331 1 16 ASP HA 1 50 ILE MD . . 4.510 3.347 2.714 3.703 . 0 0 "[ . 1 . 2]" 1
332 1 16 ASP QB 1 17 ASP H . . 3.710 2.340 2.008 3.285 . 0 0 "[ . 1 . 2]" 1
333 1 16 ASP QB 1 18 GLU H . . 6.070 2.105 1.941 2.971 . 0 0 "[ . 1 . 2]" 1
334 1 16 ASP QB 1 19 THR H . . 6.380 3.383 3.200 3.558 . 0 0 "[ . 1 . 2]" 1
335 1 16 ASP QB 1 50 ILE MD . . 7.280 4.165 3.468 4.556 . 0 0 "[ . 1 . 2]" 1
336 1 17 ASP H 1 17 ASP HB2 . . 3.360 3.174 2.001 3.496 0.136 15 0 "[ . 1 . 2]" 1
337 1 17 ASP H 1 17 ASP HB3 . . 3.360 2.398 2.101 3.190 . 0 0 "[ . 1 . 2]" 1
338 1 17 ASP H 1 19 THR H . . 5.470 4.394 4.147 4.653 . 0 0 "[ . 1 . 2]" 1
339 1 17 ASP HA 1 17 ASP HB2 . . 2.900 2.456 2.312 2.864 . 0 0 "[ . 1 . 2]" 1
340 1 17 ASP HA 1 17 ASP QB . . 2.660 2.225 2.177 2.573 . 0 0 "[ . 1 . 2]" 1
341 1 17 ASP HA 1 17 ASP HB3 . . 2.900 2.693 2.276 3.010 0.110 8 0 "[ . 1 . 2]" 1
342 1 17 ASP HA 1 50 ILE HA . . 3.240 3.006 2.616 3.285 0.045 7 0 "[ . 1 . 2]" 1
343 1 17 ASP HA 1 50 ILE MD . . 5.190 3.910 1.804 4.346 . 0 0 "[ . 1 . 2]" 1
344 1 17 ASP HA 1 50 ILE HG12 . . 4.350 3.568 2.696 4.348 . 0 0 "[ . 1 . 2]" 1
345 1 17 ASP HA 1 50 ILE QG . . 4.170 2.570 2.072 3.856 . 0 0 "[ . 1 . 2]" 1
346 1 17 ASP HA 1 50 ILE HG13 . . 4.350 2.713 2.153 4.421 0.071 7 0 "[ . 1 . 2]" 1
347 1 17 ASP HA 1 50 ILE MG . . 6.310 4.010 3.654 4.412 . 0 0 "[ . 1 . 2]" 1
348 1 17 ASP QB 1 50 ILE HA . . 5.380 3.446 2.682 4.118 . 0 0 "[ . 1 . 2]" 1
349 1 17 ASP QB 1 50 ILE MD . . 5.680 2.906 2.009 3.670 . 0 0 "[ . 1 . 2]" 1
350 1 17 ASP HB2 1 50 ILE MD . . 6.000 3.775 2.032 4.919 . 0 0 "[ . 1 . 2]" 1
351 1 17 ASP HB3 1 50 ILE MD . . 6.000 3.236 2.190 4.554 . 0 0 "[ . 1 . 2]" 1
352 1 18 GLU H 1 18 GLU HB2 . . 3.670 3.545 3.516 3.572 . 0 0 "[ . 1 . 2]" 1
353 1 18 GLU H 1 18 GLU QB . . 3.320 2.406 2.253 2.651 . 0 0 "[ . 1 . 2]" 1
354 1 18 GLU H 1 18 GLU HB3 . . 3.670 2.449 2.280 2.738 . 0 0 "[ . 1 . 2]" 1
355 1 18 GLU H 1 18 GLU HG2 . . 4.410 2.172 1.972 2.509 . 0 0 "[ . 1 . 2]" 1
356 1 18 GLU H 1 18 GLU QG . . 4.200 2.145 1.905 2.474 . 0 0 "[ . 1 . 2]" 1
357 1 18 GLU H 1 18 GLU HG3 . . 4.410 3.385 2.520 3.761 . 0 0 "[ . 1 . 2]" 1
358 1 18 GLU H 1 19 THR H . . 3.110 2.654 2.453 2.830 . 0 0 "[ . 1 . 2]" 1
359 1 18 GLU HA 1 18 GLU HB2 . . 2.800 2.444 2.357 2.559 . 0 0 "[ . 1 . 2]" 1
360 1 18 GLU HA 1 18 GLU QB . . 2.580 2.198 2.189 2.200 . 0 0 "[ . 1 . 2]" 1
361 1 18 GLU HA 1 18 GLU HB3 . . 2.800 2.497 2.389 2.598 . 0 0 "[ . 1 . 2]" 1
362 1 18 GLU HA 1 18 GLU HG2 . . 3.800 3.733 3.681 3.805 0.005 4 0 "[ . 1 . 2]" 1
363 1 18 GLU HA 1 18 GLU HG3 . . 3.800 3.739 3.656 3.807 0.007 8 0 "[ . 1 . 2]" 1
364 1 18 GLU QB 1 19 THR H . . 4.310 3.513 3.334 3.681 . 0 0 "[ . 1 . 2]" 1
365 1 18 GLU HB2 1 19 THR H . . 4.480 3.932 3.662 4.301 . 0 0 "[ . 1 . 2]" 1
366 1 18 GLU HB3 1 19 THR H . . 4.480 3.964 3.827 4.185 . 0 0 "[ . 1 . 2]" 1
367 1 18 GLU QG 1 19 THR H . . 6.380 2.075 1.806 2.423 . 0 0 "[ . 1 . 2]" 1
368 1 19 THR H 1 20 ASP H . . 4.410 4.355 4.168 4.458 0.048 9 0 "[ . 1 . 2]" 1
369 1 19 THR HA 1 19 THR MG . . 3.680 2.531 2.333 2.637 . 0 0 "[ . 1 . 2]" 1
370 1 19 THR HA 1 20 ASP H . . 2.800 2.189 2.152 2.276 . 0 0 "[ . 1 . 2]" 1
371 1 19 THR MG 1 20 ASP H . . 4.820 3.364 3.117 3.590 . 0 0 "[ . 1 . 2]" 1
372 1 19 THR MG 1 24 LEU QD . . 9.120 1.705 1.621 1.827 . 0 0 "[ . 1 . 2]" 1
373 1 19 THR MG 1 53 LEU HG . . 4.760 3.944 3.879 3.986 . 0 0 "[ . 1 . 2]" 1
374 1 19 THR MG 1 79 TYR HA . . 4.540 2.814 2.267 3.174 . 0 0 "[ . 1 . 2]" 1
375 1 19 THR MG 1 79 TYR HB2 . . 4.790 3.785 3.619 3.906 . 0 0 "[ . 1 . 2]" 1
376 1 19 THR MG 1 79 TYR QB . . 4.570 2.308 2.140 2.470 . 0 0 "[ . 1 . 2]" 1
377 1 19 THR MG 1 79 TYR HB3 . . 4.790 2.329 2.156 2.497 . 0 0 "[ . 1 . 2]" 1
378 1 19 THR MG 1 79 TYR QD . . 7.300 2.235 1.972 2.882 . 0 0 "[ . 1 . 2]" 1
379 1 19 THR MG 1 79 TYR QE . . 8.660 4.205 3.609 4.855 . 0 0 "[ . 1 . 2]" 1
380 1 20 ASP H 1 20 ASP HB2 . . 3.300 2.041 2.011 2.112 . 0 0 "[ . 1 . 2]" 1
381 1 20 ASP H 1 20 ASP QB . . 2.990 2.018 1.991 2.067 . 0 0 "[ . 1 . 2]" 1
382 1 20 ASP H 1 20 ASP HB3 . . 3.300 3.197 2.931 3.350 0.050 5 0 "[ . 1 . 2]" 1
383 1 20 ASP H 1 21 MET H . . 4.880 4.431 4.228 4.673 . 0 0 "[ . 1 . 2]" 1
384 1 20 ASP H 1 79 TYR QD . . 7.640 3.267 2.867 3.731 . 0 0 "[ . 1 . 2]" 1
385 1 20 ASP HA 1 21 MET H . . 2.460 2.309 2.255 2.443 . 0 0 "[ . 1 . 2]" 1
386 1 20 ASP QB 1 23 LYS H . . 5.080 2.343 1.971 2.991 . 0 0 "[ . 1 . 2]" 1
387 1 20 ASP QB 1 23 LYS QB . . 4.110 2.107 1.793 2.994 . 0 0 "[ . 1 . 2]" 1
388 1 20 ASP HB2 1 23 LYS H . . 5.220 4.015 3.592 4.564 . 0 0 "[ . 1 . 2]" 1
389 1 20 ASP HB2 1 23 LYS HB2 . . 4.850 3.376 3.110 3.668 . 0 0 "[ . 1 . 2]" 1
390 1 20 ASP HB2 1 23 LYS HB3 . . 4.850 3.816 2.924 4.874 0.024 17 0 "[ . 1 . 2]" 1
391 1 20 ASP HB3 1 23 LYS H . . 5.220 2.361 1.979 3.033 . 0 0 "[ . 1 . 2]" 1
392 1 20 ASP HB3 1 23 LYS HB2 . . 4.850 2.297 1.978 3.387 . 0 0 "[ . 1 . 2]" 1
393 1 20 ASP HB3 1 23 LYS HB3 . . 4.850 2.860 2.004 4.473 . 0 0 "[ . 1 . 2]" 1
394 1 21 MET H 1 21 MET HB2 . . 3.550 2.387 2.093 2.736 . 0 0 "[ . 1 . 2]" 1
395 1 21 MET H 1 21 MET QB . . 3.270 2.348 2.075 2.665 . 0 0 "[ . 1 . 2]" 1
396 1 21 MET H 1 21 MET HB3 . . 3.550 3.521 3.411 3.676 0.126 11 0 "[ . 1 . 2]" 1
397 1 21 MET H 1 21 MET ME . . 6.530 4.732 4.435 5.101 . 0 0 "[ . 1 . 2]" 1
398 1 21 MET H 1 21 MET HG2 . . 3.580 2.641 1.943 3.492 . 0 0 "[ . 1 . 2]" 1
399 1 21 MET H 1 21 MET QG . . 3.390 2.351 1.932 3.094 . 0 0 "[ . 1 . 2]" 1
400 1 21 MET H 1 21 MET HG3 . . 3.580 3.149 2.189 3.572 . 0 0 "[ . 1 . 2]" 1
401 1 21 MET H 1 22 ALA H . . 3.670 2.498 1.990 2.759 . 0 0 "[ . 1 . 2]" 1
402 1 21 MET H 1 22 ALA MB . . 6.530 4.055 3.546 4.342 . 0 0 "[ . 1 . 2]" 1
403 1 21 MET H 1 23 LYS H . . 4.200 4.173 3.916 4.266 0.066 2 0 "[ . 1 . 2]" 1
404 1 21 MET HA 1 21 MET ME . . 5.160 3.597 3.174 3.971 . 0 0 "[ . 1 . 2]" 1
405 1 21 MET HA 1 21 MET HG2 . . 3.950 2.645 2.123 3.268 . 0 0 "[ . 1 . 2]" 1
406 1 21 MET HA 1 21 MET QG . . 3.770 2.566 2.095 3.118 . 0 0 "[ . 1 . 2]" 1
407 1 21 MET HA 1 21 MET HG3 . . 3.950 3.592 3.224 3.941 . 0 0 "[ . 1 . 2]" 1
408 1 21 MET HA 1 24 LEU H . . 4.380 3.378 3.062 4.002 . 0 0 "[ . 1 . 2]" 1
409 1 21 MET HA 1 24 LEU HB2 . . 3.140 2.822 2.474 3.165 0.025 13 0 "[ . 1 . 2]" 1
410 1 21 MET HA 1 24 LEU QB . . 2.880 2.573 2.362 2.712 . 0 0 "[ . 1 . 2]" 1
411 1 21 MET HA 1 24 LEU HB3 . . 3.140 2.998 2.844 3.126 . 0 0 "[ . 1 . 2]" 1
412 1 21 MET QB 1 43 LEU QD . . 8.970 3.110 2.097 3.733 . 0 0 "[ . 1 . 2]" 1
413 1 21 MET ME 1 24 LEU QD . . 8.160 3.799 3.106 4.538 . 0 0 "[ . 1 . 2]" 1
414 1 21 MET ME 1 51 LYS QB . . 6.470 1.951 1.737 2.248 . 0 0 "[ . 1 . 2]" 1
415 1 21 MET ME 1 52 LYS HA . . 4.420 3.567 3.240 3.739 . 0 0 "[ . 1 . 2]" 1
416 1 21 MET ME 1 53 LEU H . . 5.040 3.771 3.448 4.120 . 0 0 "[ . 1 . 2]" 1
417 1 21 MET ME 1 54 GLN H . . 6.530 5.035 4.732 5.279 . 0 0 "[ . 1 . 2]" 1
418 1 21 MET QG 1 43 LEU QD . . 8.820 3.872 3.260 4.436 . 0 0 "[ . 1 . 2]" 1
419 1 21 MET HG2 1 51 LYS QD . . 6.380 4.923 3.723 5.524 . 0 0 "[ . 1 . 2]" 1
420 1 21 MET HG3 1 51 LYS QD . . 6.380 3.751 2.162 4.741 . 0 0 "[ . 1 . 2]" 1
421 1 22 ALA H 1 23 LYS H . . 3.170 2.587 2.265 3.011 . 0 0 "[ . 1 . 2]" 1
422 1 22 ALA H 1 24 LEU H . . 4.350 4.069 3.661 4.350 0.000 5 0 "[ . 1 . 2]" 1
423 1 22 ALA H 1 25 GLU H . . 5.030 4.471 4.298 4.572 . 0 0 "[ . 1 . 2]" 1
424 1 22 ALA HA 1 23 LYS H . . 3.610 3.600 3.552 3.642 0.032 13 0 "[ . 1 . 2]" 1
425 1 22 ALA HA 1 25 GLU H . . 3.700 3.622 3.479 3.755 0.055 17 0 "[ . 1 . 2]" 1
426 1 22 ALA HA 1 25 GLU QB . . 4.490 2.784 2.608 2.970 . 0 0 "[ . 1 . 2]" 1
427 1 22 ALA HA 1 26 GLU H . . 5.030 3.703 3.513 3.997 . 0 0 "[ . 1 . 2]" 1
428 1 23 LYS H 1 23 LYS HB2 . . 3.520 2.296 2.172 2.806 . 0 0 "[ . 1 . 2]" 1
429 1 23 LYS H 1 23 LYS QB . . 3.140 2.216 2.103 2.712 . 0 0 "[ . 1 . 2]" 1
430 1 23 LYS H 1 23 LYS HB3 . . 3.520 3.005 2.659 3.592 0.072 17 0 "[ . 1 . 2]" 1
431 1 23 LYS H 1 23 LYS HD2 . . 4.910 4.381 3.950 5.027 0.117 2 0 "[ . 1 . 2]" 1
432 1 23 LYS H 1 23 LYS QD . . 4.770 4.019 3.796 4.436 . 0 0 "[ . 1 . 2]" 1
433 1 23 LYS H 1 23 LYS HD3 . . 4.910 4.828 4.247 4.943 0.033 9 0 "[ . 1 . 2]" 1
434 1 23 LYS H 1 24 LEU H . . 3.520 2.579 2.275 3.041 . 0 0 "[ . 1 . 2]" 1
435 1 23 LYS HA 1 23 LYS HD2 . . 4.170 3.593 3.097 4.332 0.162 8 0 "[ . 1 . 2]" 1
436 1 23 LYS HA 1 23 LYS QD . . 3.680 3.090 3.025 3.220 . 0 0 "[ . 1 . 2]" 1
437 1 23 LYS HA 1 23 LYS HD3 . . 4.170 3.845 3.155 4.270 0.100 4 0 "[ . 1 . 2]" 1
438 1 23 LYS HA 1 26 GLU H . . 3.890 3.358 3.095 3.652 . 0 0 "[ . 1 . 2]" 1
439 1 23 LYS HA 1 26 GLU QB . . 3.830 2.434 1.980 3.321 . 0 0 "[ . 1 . 2]" 1
440 1 23 LYS HA 1 26 GLU HG2 . . 4.970 3.906 1.983 4.680 . 0 0 "[ . 1 . 2]" 1
441 1 23 LYS HA 1 26 GLU QG . . 4.830 3.420 1.822 3.935 . 0 0 "[ . 1 . 2]" 1
442 1 23 LYS HA 1 26 GLU HG3 . . 4.970 4.128 2.010 4.976 0.006 14 0 "[ . 1 . 2]" 1
443 1 23 LYS HA 1 27 CYS H . . 3.170 3.191 3.122 3.294 0.124 11 0 "[ . 1 . 2]" 1
444 1 23 LYS QB 1 23 LYS QD . . 2.830 2.096 2.062 2.210 . 0 0 "[ . 1 . 2]" 1
445 1 23 LYS HB2 1 23 LYS HD2 . . 3.390 2.672 2.171 3.552 0.162 19 0 "[ . 1 . 2]" 1
446 1 23 LYS HB2 1 23 LYS HD3 . . 3.390 3.067 2.617 3.776 0.386 12 0 "[ . 1 . 2]" 1
447 1 23 LYS HB2 1 24 LEU H . . 3.920 3.331 2.547 3.853 . 0 0 "[ . 1 . 2]" 1
448 1 23 LYS HB3 1 23 LYS HD2 . . 3.390 3.142 2.391 3.552 0.162 9 0 "[ . 1 . 2]" 1
449 1 23 LYS HB3 1 23 LYS HD3 . . 3.390 2.997 2.207 3.449 0.059 1 0 "[ . 1 . 2]" 1
450 1 23 LYS HB3 1 24 LEU H . . 3.920 2.897 2.476 3.984 0.064 17 0 "[ . 1 . 2]" 1
451 1 24 LEU H 1 24 LEU HB2 . . 3.050 2.008 1.979 2.052 . 0 0 "[ . 1 . 2]" 1
452 1 24 LEU H 1 24 LEU HB3 . . 3.050 3.034 2.948 3.131 0.081 2 0 "[ . 1 . 2]" 1
453 1 24 LEU H 1 24 LEU HG . . 4.570 3.822 3.635 3.960 . 0 0 "[ . 1 . 2]" 1
454 1 24 LEU H 1 25 GLU H . . 4.040 2.735 2.580 2.969 . 0 0 "[ . 1 . 2]" 1
455 1 24 LEU HA 1 24 LEU HG . . 3.580 2.433 2.267 2.722 . 0 0 "[ . 1 . 2]" 1
456 1 24 LEU HA 1 27 CYS H . . 4.040 3.945 3.782 4.061 0.021 5 0 "[ . 1 . 2]" 1
457 1 24 LEU HA 1 27 CYS HB2 . . 4.070 3.561 2.722 3.897 . 0 0 "[ . 1 . 2]" 1
458 1 24 LEU HA 1 27 CYS QB . . 3.820 2.857 2.560 3.208 . 0 0 "[ . 1 . 2]" 1
459 1 24 LEU HA 1 27 CYS HB3 . . 4.070 3.172 2.613 4.057 . 0 0 "[ . 1 . 2]" 1
460 1 24 LEU QB 1 24 LEU HG . . 2.630 2.373 2.260 2.445 . 0 0 "[ . 1 . 2]" 1
461 1 24 LEU QB 1 25 GLU H . . 3.280 2.743 2.464 2.872 . 0 0 "[ . 1 . 2]" 1
462 1 24 LEU HB2 1 25 GLU H . . 3.550 3.459 3.313 3.554 0.004 10 0 "[ . 1 . 2]" 1
463 1 24 LEU HB3 1 25 GLU H . . 3.550 2.880 2.525 3.047 . 0 0 "[ . 1 . 2]" 1
464 1 24 LEU QD 1 25 GLU H . . 7.350 3.885 3.590 4.012 . 0 0 "[ . 1 . 2]" 1
465 1 24 LEU QD 1 79 TYR QB . . 7.550 2.260 1.915 2.893 . 0 0 "[ . 1 . 2]" 1
466 1 24 LEU QD 1 80 VAL HA . . 7.540 3.052 2.756 3.419 . 0 0 "[ . 1 . 2]" 1
467 1 24 LEU MD1 1 79 TYR HB2 . . 9.670 3.620 3.156 4.355 . 0 0 "[ . 1 . 2]" 1
468 1 24 LEU MD1 1 79 TYR HB3 . . 9.670 2.326 1.937 3.172 . 0 0 "[ . 1 . 2]" 1
469 1 24 LEU MD2 1 79 TYR HB2 . . 9.670 4.333 3.869 4.711 . 0 0 "[ . 1 . 2]" 1
470 1 24 LEU MD2 1 79 TYR HB3 . . 9.670 3.889 3.256 4.354 . 0 0 "[ . 1 . 2]" 1
471 1 24 LEU HG 1 25 GLU H . . 5.500 5.173 5.043 5.279 . 0 0 "[ . 1 . 2]" 1
472 1 24 LEU HG 1 79 TYR HB2 . . 3.800 3.741 3.392 3.831 0.031 18 0 "[ . 1 . 2]" 1
473 1 24 LEU HG 1 79 TYR QB . . 3.460 2.680 2.150 3.038 . 0 0 "[ . 1 . 2]" 1
474 1 24 LEU HG 1 79 TYR HB3 . . 3.800 2.755 2.175 3.186 . 0 0 "[ . 1 . 2]" 1
475 1 25 GLU H 1 25 GLU HB2 . . 3.050 2.446 2.056 2.568 . 0 0 "[ . 1 . 2]" 1
476 1 25 GLU H 1 25 GLU HB3 . . 3.050 2.559 2.438 3.039 . 0 0 "[ . 1 . 2]" 1
477 1 25 GLU H 1 25 GLU HG2 . . 4.480 4.397 4.358 4.585 0.105 1 0 "[ . 1 . 2]" 1
478 1 25 GLU H 1 25 GLU HG3 . . 4.480 4.466 4.359 4.537 0.057 14 0 "[ . 1 . 2]" 1
479 1 25 GLU H 1 53 LEU QD . . 7.940 3.072 2.738 3.328 . 0 0 "[ . 1 . 2]" 1
480 1 25 GLU HA 1 25 GLU QB . . 2.730 2.414 2.369 2.543 . 0 0 "[ . 1 . 2]" 1
481 1 25 GLU HA 1 28 VAL H . . 4.320 3.824 3.409 4.148 . 0 0 "[ . 1 . 2]" 1
482 1 25 GLU HA 1 28 VAL HB . . 3.170 2.869 2.463 3.182 0.012 5 0 "[ . 1 . 2]" 1
483 1 25 GLU HA 1 28 VAL QG . . 6.940 3.065 2.379 3.444 . 0 0 "[ . 1 . 2]" 1
484 1 25 GLU HA 1 29 ARG H . . 5.250 4.496 4.114 4.713 . 0 0 "[ . 1 . 2]" 1
485 1 25 GLU HA 1 53 LEU MD1 . . 5.100 2.512 2.163 2.874 . 0 0 "[ . 1 . 2]" 1
486 1 25 GLU HA 1 53 LEU QD . . 4.650 2.480 2.148 2.745 . 0 0 "[ . 1 . 2]" 1
487 1 25 GLU HA 1 53 LEU MD2 . . 5.100 3.971 3.481 4.162 . 0 0 "[ . 1 . 2]" 1
488 1 25 GLU QB 1 53 LEU QD . . 6.420 2.696 2.216 3.132 . 0 0 "[ . 1 . 2]" 1
489 1 25 GLU HB2 1 53 LEU MD1 . . 8.030 3.087 2.309 3.792 . 0 0 "[ . 1 . 2]" 1
490 1 25 GLU HB2 1 53 LEU MD2 . . 8.030 3.151 2.723 3.669 . 0 0 "[ . 1 . 2]" 1
491 1 25 GLU HB3 1 53 LEU MD1 . . 8.030 4.330 3.678 4.997 . 0 0 "[ . 1 . 2]" 1
492 1 25 GLU HB3 1 53 LEU MD2 . . 8.030 4.596 4.201 5.128 . 0 0 "[ . 1 . 2]" 1
493 1 25 GLU QG 1 53 LEU QD . . 8.450 3.289 2.769 3.802 . 0 0 "[ . 1 . 2]" 1
494 1 25 GLU QG 1 55 ILE MG . . 6.630 3.386 2.898 3.978 . 0 0 "[ . 1 . 2]" 1
495 1 26 GLU H 1 26 GLU QB . . 3.900 2.219 2.103 2.414 . 0 0 "[ . 1 . 2]" 1
496 1 26 GLU H 1 26 GLU HG2 . . 4.260 3.108 2.107 4.187 . 0 0 "[ . 1 . 2]" 1
497 1 26 GLU H 1 26 GLU QG . . 4.030 2.899 2.086 3.788 . 0 0 "[ . 1 . 2]" 1
498 1 26 GLU H 1 26 GLU HG3 . . 4.260 3.730 2.833 4.327 0.067 20 0 "[ . 1 . 2]" 1
499 1 26 GLU HA 1 29 ARG H . . 4.040 3.356 3.107 3.834 . 0 0 "[ . 1 . 2]" 1
500 1 26 GLU HA 1 29 ARG QB . . 4.730 2.672 2.175 3.965 . 0 0 "[ . 1 . 2]" 1
501 1 26 GLU HA 1 30 SER H . . 5.100 3.995 3.604 4.314 . 0 0 "[ . 1 . 2]" 1
502 1 26 GLU QB 1 27 CYS H . . 4.520 2.536 2.294 3.509 . 0 0 "[ . 1 . 2]" 1
503 1 26 GLU QG 1 27 CYS H . . 6.380 3.426 1.898 4.208 . 0 0 "[ . 1 . 2]" 1
504 1 27 CYS H 1 27 CYS HB2 . . 3.640 2.295 2.066 2.596 . 0 0 "[ . 1 . 2]" 1
505 1 27 CYS H 1 27 CYS QB . . 3.320 2.169 2.044 2.238 . 0 0 "[ . 1 . 2]" 1
506 1 27 CYS H 1 27 CYS HB3 . . 3.640 2.837 2.421 3.428 . 0 0 "[ . 1 . 2]" 1
507 1 27 CYS H 1 28 VAL H . . 3.300 3.007 2.663 3.255 . 0 0 "[ . 1 . 2]" 1
508 1 27 CYS H 1 28 VAL QG . . 8.090 4.582 4.245 4.803 . 0 0 "[ . 1 . 2]" 1
509 1 27 CYS HA 1 30 SER H . . 3.700 3.200 2.972 3.700 0.000 20 0 "[ . 1 . 2]" 1
510 1 27 CYS HA 1 30 SER QB . . 4.550 2.402 2.008 3.390 . 0 0 "[ . 1 . 2]" 1
511 1 27 CYS QB 1 28 VAL H . . 3.560 2.374 2.157 2.533 . 0 0 "[ . 1 . 2]" 1
512 1 27 CYS QB 1 76 PHE QD . . 8.500 4.385 3.700 5.520 . 0 0 "[ . 1 . 2]" 1
513 1 27 CYS HB2 1 28 VAL H . . 3.980 3.542 2.732 3.868 . 0 0 "[ . 1 . 2]" 1
514 1 27 CYS HB3 1 28 VAL H . . 3.980 2.433 2.174 2.787 . 0 0 "[ . 1 . 2]" 1
515 1 28 VAL H 1 28 VAL HB . . 3.240 2.260 2.049 2.541 . 0 0 "[ . 1 . 2]" 1
516 1 28 VAL H 1 29 ARG H . . 4.790 2.955 2.780 3.252 . 0 0 "[ . 1 . 2]" 1
517 1 28 VAL HA 1 30 SER H . . 5.000 4.620 4.058 4.989 . 0 0 "[ . 1 . 2]" 1
518 1 28 VAL HA 1 31 ILE H . . 4.910 3.743 3.441 3.968 . 0 0 "[ . 1 . 2]" 1
519 1 28 VAL HA 1 31 ILE MD . . 4.670 2.465 1.812 3.932 . 0 0 "[ . 1 . 2]" 1
520 1 28 VAL HA 1 31 ILE QG . . 5.850 2.989 2.014 4.283 . 0 0 "[ . 1 . 2]" 1
521 1 28 VAL HA 1 31 ILE MG . . 5.570 4.534 4.067 4.686 . 0 0 "[ . 1 . 2]" 1
522 1 28 VAL HB 1 29 ARG H . . 3.450 2.707 2.132 3.065 . 0 0 "[ . 1 . 2]" 1
523 1 28 VAL HB 1 53 LEU QD . . 7.690 3.847 3.464 4.362 . 0 0 "[ . 1 . 2]" 1
524 1 28 VAL HB 1 73 ILE MG . . 5.470 4.396 4.286 4.450 . 0 0 "[ . 1 . 2]" 1
525 1 28 VAL QG 1 29 ARG H . . 4.760 2.929 2.633 3.324 . 0 0 "[ . 1 . 2]" 1
526 1 28 VAL QG 1 29 ARG HA . . 8.090 3.169 2.859 3.664 . 0 0 "[ . 1 . 2]" 1
527 1 28 VAL QG 1 30 SER H . . 8.090 4.580 4.153 4.872 . 0 0 "[ . 1 . 2]" 1
528 1 28 VAL QG 1 38 TRP HE1 . . 8.090 4.348 3.981 4.646 . 0 0 "[ . 1 . 2]" 1
529 1 28 VAL QG 1 38 TRP HH2 . . 6.630 2.481 2.056 3.044 . 0 0 "[ . 1 . 2]" 1
530 1 28 VAL QG 1 38 TRP HZ2 . . 7.280 2.786 2.030 3.242 . 0 0 "[ . 1 . 2]" 1
531 1 28 VAL QG 1 53 LEU QD . . 10.590 2.624 2.165 2.824 . 0 0 "[ . 1 . 2]" 1
532 1 28 VAL QG 1 55 ILE HA . . 6.450 4.522 4.419 4.606 . 0 0 "[ . 1 . 2]" 1
533 1 28 VAL QG 1 55 ILE HB . . 6.380 2.792 2.665 2.956 . 0 0 "[ . 1 . 2]" 1
534 1 28 VAL QG 1 55 ILE MD . . 6.260 2.492 2.063 2.868 . 0 0 "[ . 1 . 2]" 1
535 1 28 VAL QG 1 55 ILE MG . . 7.660 2.026 1.846 2.292 . 0 0 "[ . 1 . 2]" 1
536 1 28 VAL QG 1 73 ILE MG . . 9.120 1.890 1.779 2.025 . 0 0 "[ . 1 . 2]" 1
537 1 28 VAL QG 1 80 VAL QG . . 8.660 4.128 3.848 4.382 . 0 0 "[ . 1 . 2]" 1
538 1 28 VAL MG1 1 29 ARG H . . 5.380 3.020 2.668 3.631 . 0 0 "[ . 1 . 2]" 1
539 1 28 VAL MG1 1 31 ILE MD . . 7.560 3.685 2.422 5.206 . 0 0 "[ . 1 . 2]" 1
540 1 28 VAL MG1 1 55 ILE MD . . 6.840 2.632 2.122 3.027 . 0 0 "[ . 1 . 2]" 1
541 1 28 VAL MG1 1 73 ILE QG . . 7.400 3.294 2.870 3.982 . 0 0 "[ . 1 . 2]" 1
542 1 28 VAL MG2 1 29 ARG H . . 5.380 4.062 3.767 4.270 . 0 0 "[ . 1 . 2]" 1
543 1 28 VAL MG2 1 31 ILE MD . . 7.560 3.463 2.785 4.662 . 0 0 "[ . 1 . 2]" 1
544 1 28 VAL MG2 1 55 ILE MD . . 6.840 3.183 2.589 3.609 . 0 0 "[ . 1 . 2]" 1
545 1 28 VAL MG2 1 73 ILE QG . . 7.400 2.359 1.826 2.855 . 0 0 "[ . 1 . 2]" 1
546 1 29 ARG H 1 29 ARG HB2 . . 3.730 2.160 2.023 3.552 . 0 0 "[ . 1 . 2]" 1
547 1 29 ARG H 1 29 ARG QB . . 3.410 2.073 2.002 2.394 . 0 0 "[ . 1 . 2]" 1
548 1 29 ARG H 1 29 ARG HB3 . . 3.730 3.115 2.433 3.496 . 0 0 "[ . 1 . 2]" 1
549 1 29 ARG H 1 29 ARG HG2 . . 5.500 4.033 2.275 4.607 . 0 0 "[ . 1 . 2]" 1
550 1 29 ARG H 1 29 ARG QG . . 5.010 3.391 2.229 3.814 . 0 0 "[ . 1 . 2]" 1
551 1 29 ARG H 1 29 ARG HG3 . . 5.500 3.744 2.731 4.356 . 0 0 "[ . 1 . 2]" 1
552 1 29 ARG H 1 30 SER H . . 3.800 2.647 2.469 2.982 . 0 0 "[ . 1 . 2]" 1
553 1 29 ARG HA 1 29 ARG HB2 . . 3.020 2.828 2.495 3.034 0.014 10 0 "[ . 1 . 2]" 1
554 1 29 ARG HA 1 29 ARG HB3 . . 3.020 2.894 2.477 3.024 0.004 11 0 "[ . 1 . 2]" 1
555 1 29 ARG HA 1 29 ARG HG2 . . 4.290 2.447 2.009 3.834 . 0 0 "[ . 1 . 2]" 1
556 1 29 ARG HA 1 29 ARG QG . . 3.730 2.172 1.981 3.337 . 0 0 "[ . 1 . 2]" 1
557 1 29 ARG HA 1 29 ARG HG3 . . 4.290 2.855 2.005 3.670 . 0 0 "[ . 1 . 2]" 1
558 1 29 ARG HA 1 31 ILE H . . 5.070 4.011 3.379 4.488 . 0 0 "[ . 1 . 2]" 1
559 1 29 ARG HA 1 38 TRP HD1 . . 3.730 3.662 3.066 3.773 0.043 20 0 "[ . 1 . 2]" 1
560 1 29 ARG HA 1 38 TRP HE1 . . 4.070 3.620 2.821 4.083 0.013 3 0 "[ . 1 . 2]" 1
561 1 29 ARG QG 1 30 SER H . . 6.380 4.276 2.181 4.614 . 0 0 "[ . 1 . 2]" 1
562 1 30 SER H 1 30 SER HB2 . . 3.550 3.409 3.131 3.558 0.008 3 0 "[ . 1 . 2]" 1
563 1 30 SER H 1 30 SER QB . . 3.280 2.142 2.006 2.524 . 0 0 "[ . 1 . 2]" 1
564 1 30 SER H 1 30 SER HB3 . . 3.550 2.165 2.025 2.582 . 0 0 "[ . 1 . 2]" 1
565 1 30 SER H 1 31 ILE H . . 3.480 2.847 2.527 3.106 . 0 0 "[ . 1 . 2]" 1
566 1 30 SER H 1 31 ILE MD . . 6.530 4.946 4.204 5.381 . 0 0 "[ . 1 . 2]" 1
567 1 30 SER H 1 31 ILE QG . . 6.380 4.283 3.516 5.367 . 0 0 "[ . 1 . 2]" 1
568 1 30 SER HA 1 30 SER HB2 . . 2.870 2.330 2.256 2.559 . 0 0 "[ . 1 . 2]" 1
569 1 30 SER HA 1 30 SER QB . . 2.520 2.183 2.172 2.199 . 0 0 "[ . 1 . 2]" 1
570 1 30 SER HA 1 30 SER HB3 . . 2.870 2.664 2.388 2.857 . 0 0 "[ . 1 . 2]" 1
571 1 31 ILE H 1 31 ILE HB . . 2.870 2.416 2.277 2.517 . 0 0 "[ . 1 . 2]" 1
572 1 31 ILE H 1 31 ILE MD . . 5.160 3.190 2.426 3.517 . 0 0 "[ . 1 . 2]" 1
573 1 31 ILE H 1 31 ILE HG12 . . 4.540 3.104 1.934 3.904 . 0 0 "[ . 1 . 2]" 1
574 1 31 ILE H 1 31 ILE QG . . 4.020 2.076 1.924 2.608 . 0 0 "[ . 1 . 2]" 1
575 1 31 ILE H 1 31 ILE HG13 . . 4.540 2.452 1.936 3.601 . 0 0 "[ . 1 . 2]" 1
576 1 31 ILE H 1 32 GLN H . . 4.540 4.572 4.522 4.640 0.100 5 0 "[ . 1 . 2]" 1
577 1 31 ILE H 1 36 LEU QD . . 8.100 5.162 4.657 5.653 . 0 0 "[ . 1 . 2]" 1
578 1 31 ILE H 1 38 TRP HE1 . . 5.070 3.371 2.889 3.773 . 0 0 "[ . 1 . 2]" 1
579 1 31 ILE H 1 38 TRP HZ2 . . 5.500 4.489 3.609 5.061 . 0 0 "[ . 1 . 2]" 1
580 1 31 ILE HA 1 31 ILE HG12 . . 3.890 2.748 2.452 3.252 . 0 0 "[ . 1 . 2]" 1
581 1 31 ILE HA 1 31 ILE QG . . 3.470 2.488 2.138 3.055 . 0 0 "[ . 1 . 2]" 1
582 1 31 ILE HA 1 31 ILE HG13 . . 3.890 2.972 2.183 3.780 . 0 0 "[ . 1 . 2]" 1
583 1 31 ILE HA 1 32 GLN H . . 2.770 2.197 2.178 2.262 . 0 0 "[ . 1 . 2]" 1
584 1 31 ILE HA 1 32 GLN QB . . 5.170 3.982 3.916 4.041 . 0 0 "[ . 1 . 2]" 1
585 1 31 ILE HA 1 38 TRP HE1 . . 5.500 3.992 3.775 4.260 . 0 0 "[ . 1 . 2]" 1
586 1 31 ILE HB 1 36 LEU QD . . 7.730 3.685 3.016 4.419 . 0 0 "[ . 1 . 2]" 1
587 1 31 ILE HB 1 38 TRP HD1 . . 5.410 4.694 4.328 5.367 . 0 0 "[ . 1 . 2]" 1
588 1 31 ILE HB 1 38 TRP HE1 . . 3.550 2.182 1.938 2.754 . 0 0 "[ . 1 . 2]" 1
589 1 31 ILE HB 1 38 TRP HZ2 . . 3.020 2.467 2.061 2.999 . 0 0 "[ . 1 . 2]" 1
590 1 31 ILE MD 1 38 TRP HE1 . . 6.530 4.122 3.719 5.176 . 0 0 "[ . 1 . 2]" 1
591 1 31 ILE MD 1 68 MET ME . . 6.690 4.224 3.736 4.512 . 0 0 "[ . 1 . 2]" 1
592 1 31 ILE MD 1 69 LEU QD . . 8.660 3.128 1.955 4.435 . 0 0 "[ . 1 . 2]" 1
593 1 31 ILE MD 1 72 GLN HB2 . . 5.190 3.380 1.975 4.164 . 0 0 "[ . 1 . 2]" 1
594 1 31 ILE MD 1 72 GLN QB . . 5.030 2.511 1.845 3.413 . 0 0 "[ . 1 . 2]" 1
595 1 31 ILE MD 1 72 GLN HB3 . . 5.190 2.719 1.970 3.987 . 0 0 "[ . 1 . 2]" 1
596 1 31 ILE MD 1 72 GLN QG . . 7.280 2.506 1.758 3.820 . 0 0 "[ . 1 . 2]" 1
597 1 31 ILE MD 1 73 ILE HA . . 4.880 3.084 2.532 3.707 . 0 0 "[ . 1 . 2]" 1
598 1 31 ILE MD 1 73 ILE QG . . 6.290 2.234 1.662 3.389 . 0 0 "[ . 1 . 2]" 1
599 1 31 ILE QG 1 32 GLN H . . 6.380 4.223 3.780 4.831 . 0 0 "[ . 1 . 2]" 1
600 1 31 ILE QG 1 38 TRP HE1 . . 4.950 4.102 3.781 4.434 . 0 0 "[ . 1 . 2]" 1
601 1 31 ILE HG12 1 38 TRP HE1 . . 5.500 4.785 4.070 5.243 . 0 0 "[ . 1 . 2]" 1
602 1 31 ILE HG13 1 38 TRP HE1 . . 5.500 4.509 4.051 5.048 . 0 0 "[ . 1 . 2]" 1
603 1 31 ILE MG 1 32 GLN H . . 6.530 2.598 2.157 2.881 . 0 0 "[ . 1 . 2]" 1
604 1 31 ILE MG 1 36 LEU QD . . 7.670 2.377 1.924 3.012 . 0 0 "[ . 1 . 2]" 1
605 1 31 ILE MG 1 38 TRP HE1 . . 6.530 2.734 1.996 3.438 . 0 0 "[ . 1 . 2]" 1
606 1 31 ILE MG 1 38 TRP HH2 . . 6.160 4.804 4.419 5.024 . 0 0 "[ . 1 . 2]" 1
607 1 31 ILE MG 1 38 TRP HZ2 . . 4.920 2.853 2.360 3.325 . 0 0 "[ . 1 . 2]" 1
608 1 31 ILE MG 1 68 MET ME . . 7.060 2.873 2.044 3.558 . 0 0 "[ . 1 . 2]" 1
609 1 31 ILE MG 1 69 LEU H . . 6.530 4.896 3.866 5.316 . 0 0 "[ . 1 . 2]" 1
610 1 31 ILE MG 1 69 LEU QD . . 7.260 1.978 1.624 3.311 . 0 0 "[ . 1 . 2]" 1
611 1 31 ILE MG 1 72 GLN HB2 . . 5.570 3.621 2.237 4.414 . 0 0 "[ . 1 . 2]" 1
612 1 31 ILE MG 1 72 GLN QB . . 5.330 2.987 2.076 3.877 . 0 0 "[ . 1 . 2]" 1
613 1 31 ILE MG 1 72 GLN HB3 . . 5.570 3.250 2.461 4.476 . 0 0 "[ . 1 . 2]" 1
614 1 31 ILE MG 1 72 GLN QG . . 6.540 2.900 1.872 3.978 . 0 0 "[ . 1 . 2]" 1
615 1 32 GLN H 1 32 GLN HB2 . . 3.450 2.782 2.463 3.113 . 0 0 "[ . 1 . 2]" 1
616 1 32 GLN H 1 32 GLN HB3 . . 3.450 3.066 2.643 3.402 . 0 0 "[ . 1 . 2]" 1
617 1 32 GLN H 1 32 GLN HG2 . . 5.500 4.672 4.132 5.077 . 0 0 "[ . 1 . 2]" 1
618 1 32 GLN H 1 32 GLN HG3 . . 5.500 4.515 4.124 4.884 . 0 0 "[ . 1 . 2]" 1
619 1 32 GLN H 1 36 LEU QD . . 7.200 4.019 3.419 4.601 . 0 0 "[ . 1 . 2]" 1
620 1 32 GLN HA 1 33 ALA H . . 2.900 2.338 2.207 2.539 . 0 0 "[ . 1 . 2]" 1
621 1 32 GLN HA 1 38 TRP HE1 . . 5.500 3.680 3.400 3.906 . 0 0 "[ . 1 . 2]" 1
622 1 32 GLN QB 1 33 ALA H . . 4.450 3.383 2.750 3.707 . 0 0 "[ . 1 . 2]" 1
623 1 33 ALA H 1 36 LEU H . . 4.880 3.985 3.324 4.440 . 0 0 "[ . 1 . 2]" 1
624 1 33 ALA H 1 36 LEU HB2 . . 4.010 3.939 3.240 4.047 0.037 14 0 "[ . 1 . 2]" 1
625 1 33 ALA H 1 36 LEU QB . . 3.650 2.472 1.937 2.815 . 0 0 "[ . 1 . 2]" 1
626 1 33 ALA H 1 36 LEU HB3 . . 4.010 2.501 1.952 2.891 . 0 0 "[ . 1 . 2]" 1
627 1 33 ALA H 1 36 LEU QD . . 7.480 2.563 1.907 3.363 . 0 0 "[ . 1 . 2]" 1
628 1 33 ALA H 1 36 LEU HG . . 5.500 4.599 2.994 5.426 . 0 0 "[ . 1 . 2]" 1
629 1 33 ALA HA 1 34 ASP H . . 2.520 2.402 2.188 2.568 0.048 9 0 "[ . 1 . 2]" 1
630 1 33 ALA MB 1 34 ASP QB . . 7.400 4.002 3.798 4.331 . 0 0 "[ . 1 . 2]" 1
631 1 33 ALA MB 1 36 LEU H . . 6.530 3.522 2.616 4.073 . 0 0 "[ . 1 . 2]" 1
632 1 33 ALA MB 1 36 LEU HB2 . . 4.610 2.091 1.761 2.986 . 0 0 "[ . 1 . 2]" 1
633 1 33 ALA MB 1 36 LEU QB . . 4.100 1.886 1.651 2.205 . 0 0 "[ . 1 . 2]" 1
634 1 33 ALA MB 1 36 LEU HB3 . . 4.610 2.248 1.893 2.794 . 0 0 "[ . 1 . 2]" 1
635 1 33 ALA MB 1 36 LEU QD . . 8.100 2.012 1.833 2.339 . 0 0 "[ . 1 . 2]" 1
636 1 33 ALA MB 1 36 LEU HG . . 5.010 3.872 3.620 4.025 . 0 0 "[ . 1 . 2]" 1
637 1 33 ALA MB 1 64 VAL QG . . 7.690 2.838 1.902 3.432 . 0 0 "[ . 1 . 2]" 1
638 1 33 ALA MB 1 68 MET ME . . 7.210 2.972 1.881 4.552 . 0 0 "[ . 1 . 2]" 1
639 1 34 ASP H 1 34 ASP HB2 . . 3.110 2.259 2.040 3.111 0.001 9 0 "[ . 1 . 2]" 1
640 1 34 ASP H 1 34 ASP HB3 . . 3.110 2.789 2.354 3.230 0.120 9 0 "[ . 1 . 2]" 1
641 1 34 ASP HA 1 35 GLY H . . 3.580 2.791 2.265 3.651 0.071 5 0 "[ . 1 . 2]" 1
642 1 34 ASP HA 1 36 LEU H . . 3.640 3.456 3.195 3.875 0.235 9 0 "[ . 1 . 2]" 1
643 1 34 ASP QB 1 35 GLY H . . 4.380 3.092 2.023 3.831 . 0 0 "[ . 1 . 2]" 1
644 1 34 ASP HB2 1 35 GLY H . . 4.600 3.998 3.318 4.537 . 0 0 "[ . 1 . 2]" 1
645 1 34 ASP HB3 1 35 GLY H . . 4.600 3.270 2.039 4.276 . 0 0 "[ . 1 . 2]" 1
646 1 35 GLY H 1 36 LEU H . . 3.210 2.822 2.591 3.259 0.049 9 0 "[ . 1 . 2]" 1
647 1 35 GLY QA 1 60 GLU QB . . 6.070 3.487 2.357 4.238 . 0 0 "[ . 1 . 2]" 1
648 1 35 GLY QA 1 60 GLU QG . . 5.170 3.606 2.623 4.115 . 0 0 "[ . 1 . 2]" 1
649 1 35 GLY QA 1 63 LYS QB . . 7.250 3.808 3.009 5.632 . 0 0 "[ . 1 . 2]" 1
650 1 35 GLY HA2 1 60 GLU HB2 . . 7.250 4.665 2.902 5.694 . 0 0 "[ . 1 . 2]" 1
651 1 35 GLY HA2 1 60 GLU HB3 . . 7.250 5.996 3.095 7.177 . 0 0 "[ . 1 . 2]" 1
652 1 35 GLY HA2 1 60 GLU HG2 . . 5.500 5.128 3.971 5.514 0.014 18 0 "[ . 1 . 2]" 1
653 1 35 GLY HA2 1 60 GLU HG3 . . 5.500 4.625 2.774 5.534 0.034 16 0 "[ . 1 . 2]" 1
654 1 35 GLY HA3 1 60 GLU HB2 . . 7.250 3.820 2.803 4.688 . 0 0 "[ . 1 . 2]" 1
655 1 35 GLY HA3 1 60 GLU HB3 . . 7.250 5.089 2.716 6.081 . 0 0 "[ . 1 . 2]" 1
656 1 35 GLY HA3 1 60 GLU HG2 . . 5.500 4.899 4.450 5.512 0.012 17 0 "[ . 1 . 2]" 1
657 1 35 GLY HA3 1 60 GLU HG3 . . 5.500 4.336 3.126 5.527 0.027 5 0 "[ . 1 . 2]" 1
658 1 36 LEU H 1 36 LEU HB2 . . 3.080 2.916 2.643 3.107 0.027 8 0 "[ . 1 . 2]" 1
659 1 36 LEU H 1 36 LEU QB . . 2.800 2.374 2.149 2.595 . 0 0 "[ . 1 . 2]" 1
660 1 36 LEU H 1 36 LEU HB3 . . 3.080 2.540 2.198 2.893 . 0 0 "[ . 1 . 2]" 1
661 1 36 LEU H 1 36 LEU HG . . 5.500 4.419 4.018 4.621 . 0 0 "[ . 1 . 2]" 1
662 1 36 LEU HA 1 36 LEU HG . . 4.200 2.688 2.360 3.333 . 0 0 "[ . 1 . 2]" 1
663 1 36 LEU HA 1 37 VAL H . . 3.110 2.204 2.176 2.270 . 0 0 "[ . 1 . 2]" 1
664 1 36 LEU HA 1 59 VAL HA . . 3.170 2.947 2.308 3.211 0.041 2 0 "[ . 1 . 2]" 1
665 1 36 LEU HA 1 59 VAL QG . . 6.600 3.446 2.518 4.143 . 0 0 "[ . 1 . 2]" 1
666 1 36 LEU QB 1 37 VAL H . . 5.010 3.792 3.594 3.982 . 0 0 "[ . 1 . 2]" 1
667 1 36 LEU QB 1 64 VAL QG . . 6.290 2.548 1.764 3.173 . 0 0 "[ . 1 . 2]" 1
668 1 36 LEU HB2 1 64 VAL QG . . 6.440 2.590 1.776 3.240 . 0 0 "[ . 1 . 2]" 1
669 1 36 LEU HB3 1 64 VAL QG . . 6.440 3.852 3.048 4.539 . 0 0 "[ . 1 . 2]" 1
670 1 36 LEU QD 1 37 VAL H . . 8.100 3.178 1.956 3.801 . 0 0 "[ . 1 . 2]" 1
671 1 36 LEU QD 1 38 TRP H . . 8.100 4.130 3.208 5.355 . 0 0 "[ . 1 . 2]" 1
672 1 36 LEU QD 1 38 TRP HD1 . . 8.100 3.355 2.789 4.349 . 0 0 "[ . 1 . 2]" 1
673 1 36 LEU QD 1 38 TRP HE1 . . 6.700 2.736 2.091 3.362 . 0 0 "[ . 1 . 2]" 1
674 1 36 LEU QD 1 38 TRP HZ2 . . 6.670 3.391 2.682 3.881 . 0 0 "[ . 1 . 2]" 1
675 1 36 LEU QD 1 68 MET ME . . 9.120 3.582 2.813 4.909 . 0 0 "[ . 1 . 2]" 1
676 1 36 LEU QD 1 69 LEU QD . . 8.740 1.667 1.490 2.394 . 0 0 "[ . 1 . 2]" 1
677 1 36 LEU HG 1 37 VAL H . . 4.320 2.831 2.422 3.202 . 0 0 "[ . 1 . 2]" 1
678 1 36 LEU HG 1 37 VAL HB . . 5.280 5.218 5.007 5.304 0.024 8 0 "[ . 1 . 2]" 1
679 1 36 LEU HG 1 38 TRP H . . 5.500 4.755 3.799 5.413 . 0 0 "[ . 1 . 2]" 1
680 1 36 LEU HG 1 38 TRP HE1 . . 5.500 4.980 4.006 5.516 0.016 3 0 "[ . 1 . 2]" 1
681 1 37 VAL H 1 37 VAL HB . . 3.170 2.535 2.311 2.728 . 0 0 "[ . 1 . 2]" 1
682 1 37 VAL H 1 38 TRP H . . 4.910 4.231 3.815 4.515 . 0 0 "[ . 1 . 2]" 1
683 1 37 VAL H 1 58 VAL HB . . 5.500 3.720 2.823 4.177 . 0 0 "[ . 1 . 2]" 1
684 1 37 VAL H 1 59 VAL HA . . 3.450 3.445 3.341 3.495 0.045 17 0 "[ . 1 . 2]" 1
685 1 37 VAL H 1 59 VAL HB . . 5.500 5.361 4.926 5.584 0.084 14 0 "[ . 1 . 2]" 1
686 1 37 VAL HA 1 38 TRP H . . 2.560 2.224 2.183 2.280 . 0 0 "[ . 1 . 2]" 1
687 1 37 VAL HA 1 38 TRP QB . . 5.010 4.180 4.092 4.248 . 0 0 "[ . 1 . 2]" 1
688 1 37 VAL HB 1 58 VAL H . . 5.500 3.434 2.524 4.235 . 0 0 "[ . 1 . 2]" 1
689 1 37 VAL HB 1 58 VAL HB . . 3.240 2.138 1.986 3.116 . 0 0 "[ . 1 . 2]" 1
690 1 37 VAL QG 1 38 TRP H . . 6.630 2.721 2.074 3.277 . 0 0 "[ . 1 . 2]" 1
691 1 37 VAL QG 1 39 GLY H . . 7.620 3.970 2.775 4.991 . 0 0 "[ . 1 . 2]" 1
692 1 38 TRP H 1 38 TRP HB2 . . 3.480 2.231 2.115 2.321 . 0 0 "[ . 1 . 2]" 1
693 1 38 TRP H 1 38 TRP HB3 . . 3.480 3.484 3.424 3.553 0.073 15 0 "[ . 1 . 2]" 1
694 1 38 TRP H 1 38 TRP HD1 . . 5.280 3.788 3.451 4.211 . 0 0 "[ . 1 . 2]" 1
695 1 38 TRP HA 1 57 CYS HA . . 3.170 2.617 2.252 3.076 . 0 0 "[ . 1 . 2]" 1
696 1 38 TRP HA 1 57 CYS HB2 . . 4.940 3.781 2.973 4.829 . 0 0 "[ . 1 . 2]" 1
697 1 38 TRP HA 1 57 CYS QB . . 4.800 3.127 2.290 4.354 . 0 0 "[ . 1 . 2]" 1
698 1 38 TRP HA 1 57 CYS HB3 . . 4.940 3.415 2.381 4.950 0.010 18 0 "[ . 1 . 2]" 1
699 1 38 TRP QB 1 39 GLY H . . 4.730 3.293 1.988 3.946 . 0 0 "[ . 1 . 2]" 1
700 1 38 TRP HB2 1 39 GLY H . . 5.070 4.369 3.431 4.667 . 0 0 "[ . 1 . 2]" 1
701 1 38 TRP HB3 1 39 GLY H . . 5.070 3.432 2.000 4.257 . 0 0 "[ . 1 . 2]" 1
702 1 38 TRP HE3 1 39 GLY H . . 5.500 2.763 2.029 4.195 . 0 0 "[ . 1 . 2]" 1
703 1 38 TRP HE3 1 55 ILE MD . . 6.470 5.250 4.891 5.479 . 0 0 "[ . 1 . 2]" 1
704 1 38 TRP HE3 1 55 ILE HG12 . . 5.500 4.035 3.605 4.521 . 0 0 "[ . 1 . 2]" 1
705 1 38 TRP HE3 1 55 ILE QG . . 4.910 3.715 3.379 3.861 . 0 0 "[ . 1 . 2]" 1
706 1 38 TRP HE3 1 55 ILE HG13 . . 5.500 4.386 3.973 4.741 . 0 0 "[ . 1 . 2]" 1
707 1 38 TRP HE3 1 57 CYS HB2 . . 5.070 3.960 3.256 4.484 . 0 0 "[ . 1 . 2]" 1
708 1 38 TRP HE3 1 57 CYS QB . . 4.540 2.763 2.056 3.867 . 0 0 "[ . 1 . 2]" 1
709 1 38 TRP HE3 1 57 CYS HB3 . . 5.070 3.034 2.067 4.907 . 0 0 "[ . 1 . 2]" 1
710 1 38 TRP HH2 1 69 LEU QD . . 6.390 2.959 2.374 3.609 . 0 0 "[ . 1 . 2]" 1
711 1 38 TRP HH2 1 73 ILE MD . . 4.480 2.716 2.233 3.424 . 0 0 "[ . 1 . 2]" 1
712 1 38 TRP HZ2 1 69 LEU QD . . 6.890 2.507 1.885 3.329 . 0 0 "[ . 1 . 2]" 1
713 1 38 TRP HZ2 1 73 ILE MD . . 6.060 3.018 2.398 3.887 . 0 0 "[ . 1 . 2]" 1
714 1 38 TRP HZ3 1 55 ILE MG . . 5.570 4.451 3.839 4.654 . 0 0 "[ . 1 . 2]" 1
715 1 38 TRP HZ3 1 57 CYS HB2 . . 5.500 3.826 2.068 4.954 . 0 0 "[ . 1 . 2]" 1
716 1 38 TRP HZ3 1 57 CYS HB3 . . 5.500 2.834 2.282 4.316 . 0 0 "[ . 1 . 2]" 1
717 1 39 GLY H 1 40 SER H . . 4.510 3.308 2.469 4.148 . 0 0 "[ . 1 . 2]" 1
718 1 39 GLY H 1 57 CYS HA . . 3.980 2.372 1.935 3.390 . 0 0 "[ . 1 . 2]" 1
719 1 39 GLY H 1 57 CYS QB . . 6.380 3.923 2.868 4.847 . 0 0 "[ . 1 . 2]" 1
720 1 39 GLY H 1 58 VAL H . . 5.500 4.118 3.266 5.282 . 0 0 "[ . 1 . 2]" 1
721 1 39 GLY QA 1 40 SER H . . 3.120 2.330 2.172 2.655 . 0 0 "[ . 1 . 2]" 1
722 1 39 GLY QA 1 56 GLN QB . . 7.000 3.839 3.254 4.291 . 0 0 "[ . 1 . 2]" 1
723 1 39 GLY QA 1 57 CYS HA . . 4.920 3.685 3.132 4.321 . 0 0 "[ . 1 . 2]" 1
724 1 40 SER H 1 56 GLN HB2 . . 5.500 4.551 3.988 4.976 . 0 0 "[ . 1 . 2]" 1
725 1 40 SER H 1 56 GLN QB . . 5.080 2.834 2.235 3.262 . 0 0 "[ . 1 . 2]" 1
726 1 40 SER H 1 56 GLN HB3 . . 5.500 2.863 2.247 3.309 . 0 0 "[ . 1 . 2]" 1
727 1 40 SER HA 1 41 SER H . . 2.770 2.263 2.230 2.358 . 0 0 "[ . 1 . 2]" 1
728 1 40 SER QB 1 41 SER H . . 4.360 3.335 3.031 3.734 . 0 0 "[ . 1 . 2]" 1
729 1 41 SER HA 1 41 SER HB2 . . 2.960 2.494 2.431 2.596 . 0 0 "[ . 1 . 2]" 1
730 1 41 SER HA 1 41 SER HB3 . . 2.960 2.446 2.359 2.508 . 0 0 "[ . 1 . 2]" 1
731 1 41 SER HA 1 42 LYS H . . 2.590 2.488 2.406 2.585 . 0 0 "[ . 1 . 2]" 1
732 1 41 SER HA 1 43 LEU QD . . 7.320 5.134 5.003 5.283 . 0 0 "[ . 1 . 2]" 1
733 1 41 SER HA 1 55 ILE HA . . 2.800 1.966 1.893 2.115 . 0 0 "[ . 1 . 2]" 1
734 1 41 SER HA 1 55 ILE HB . . 4.290 3.180 2.734 3.454 . 0 0 "[ . 1 . 2]" 1
735 1 41 SER HA 1 55 ILE HG12 . . 5.500 4.695 4.505 4.887 . 0 0 "[ . 1 . 2]" 1
736 1 41 SER HA 1 55 ILE QG . . 4.970 4.413 4.302 4.514 . 0 0 "[ . 1 . 2]" 1
737 1 41 SER HA 1 55 ILE HG13 . . 5.500 5.383 5.067 5.519 0.019 13 0 "[ . 1 . 2]" 1
738 1 41 SER HA 1 56 GLN H . . 3.390 2.451 2.104 2.739 . 0 0 "[ . 1 . 2]" 1
739 1 41 SER QB 1 42 LYS H . . 3.480 2.490 2.308 2.657 . 0 0 "[ . 1 . 2]" 1
740 1 41 SER QB 1 43 LEU QD . . 7.110 3.570 3.291 3.785 . 0 0 "[ . 1 . 2]" 1
741 1 41 SER QB 1 53 LEU QD . . 8.380 4.179 3.773 4.478 . 0 0 "[ . 1 . 2]" 1
742 1 41 SER QB 1 55 ILE HA . . 4.310 2.422 1.913 2.907 . 0 0 "[ . 1 . 2]" 1
743 1 41 SER QB 1 55 ILE QG . . 4.690 3.738 3.580 3.851 . 0 0 "[ . 1 . 2]" 1
744 1 41 SER QB 1 55 ILE MG . . 5.750 2.309 1.768 2.907 . 0 0 "[ . 1 . 2]" 1
745 1 41 SER QB 1 56 GLN H . . 6.380 3.399 2.873 3.869 . 0 0 "[ . 1 . 2]" 1
746 1 41 SER HB2 1 42 LYS H . . 3.860 2.523 2.329 2.705 . 0 0 "[ . 1 . 2]" 1
747 1 41 SER HB2 1 55 ILE HA . . 4.570 2.617 2.012 3.197 . 0 0 "[ . 1 . 2]" 1
748 1 41 SER HB2 1 55 ILE HB . . 4.230 2.926 2.715 3.135 . 0 0 "[ . 1 . 2]" 1
749 1 41 SER HB2 1 55 ILE HG12 . . 5.500 5.230 5.035 5.501 0.001 9 0 "[ . 1 . 2]" 1
750 1 41 SER HB2 1 55 ILE HG13 . . 5.500 5.157 4.893 5.502 0.002 20 0 "[ . 1 . 2]" 1
751 1 41 SER HB2 1 55 ILE MG . . 6.030 2.423 1.852 3.211 . 0 0 "[ . 1 . 2]" 1
752 1 41 SER HB3 1 42 LYS H . . 3.860 3.836 3.696 3.895 0.035 6 0 "[ . 1 . 2]" 1
753 1 41 SER HB3 1 55 ILE HA . . 4.570 2.903 2.395 3.339 . 0 0 "[ . 1 . 2]" 1
754 1 41 SER HB3 1 55 ILE HB . . 4.230 2.204 2.031 2.469 . 0 0 "[ . 1 . 2]" 1
755 1 41 SER HB3 1 55 ILE HG12 . . 5.500 4.520 4.153 5.005 . 0 0 "[ . 1 . 2]" 1
756 1 41 SER HB3 1 55 ILE HG13 . . 5.500 4.387 4.137 4.566 . 0 0 "[ . 1 . 2]" 1
757 1 41 SER HB3 1 55 ILE MG . . 6.030 2.946 2.239 3.359 . 0 0 "[ . 1 . 2]" 1
758 1 42 LYS H 1 42 LYS HG2 . . 5.340 2.921 1.924 3.564 . 0 0 "[ . 1 . 2]" 1
759 1 42 LYS H 1 42 LYS HG3 . . 5.340 2.651 1.935 3.529 . 0 0 "[ . 1 . 2]" 1
760 1 42 LYS H 1 43 LEU H . . 4.660 4.443 4.390 4.485 . 0 0 "[ . 1 . 2]" 1
761 1 42 LYS H 1 54 GLN H . . 4.320 4.360 4.317 4.401 0.081 13 0 "[ . 1 . 2]" 1
762 1 42 LYS H 1 54 GLN QB . . 6.380 3.600 3.239 4.122 . 0 0 "[ . 1 . 2]" 1
763 1 42 LYS H 1 55 ILE HA . . 4.320 2.665 2.385 2.889 . 0 0 "[ . 1 . 2]" 1
764 1 42 LYS HA 1 43 LEU H . . 2.590 2.419 2.336 2.538 . 0 0 "[ . 1 . 2]" 1
765 1 42 LYS QB 1 43 LEU H . . 3.310 2.620 2.330 2.838 . 0 0 "[ . 1 . 2]" 1
766 1 42 LYS HB2 1 43 LEU H . . 3.480 3.141 2.360 3.531 0.051 3 0 "[ . 1 . 2]" 1
767 1 42 LYS HB3 1 43 LEU H . . 3.480 3.097 2.666 3.596 0.116 11 0 "[ . 1 . 2]" 1
768 1 42 LYS QE 1 44 VAL QG . . 7.410 4.036 2.412 4.448 . 0 0 "[ . 1 . 2]" 1
769 1 42 LYS QG 1 54 GLN QB . . 5.740 3.650 1.969 4.434 . 0 0 "[ . 1 . 2]" 1
770 1 42 LYS QG 1 54 GLN QG . . 5.270 2.861 2.042 4.093 . 0 0 "[ . 1 . 2]" 1
771 1 42 LYS HG2 1 54 GLN HB2 . . 7.250 6.423 4.592 7.197 . 0 0 "[ . 1 . 2]" 1
772 1 42 LYS HG2 1 54 GLN HB3 . . 7.250 5.063 3.384 5.829 . 0 0 "[ . 1 . 2]" 1
773 1 42 LYS HG2 1 54 GLN HG2 . . 6.820 4.269 2.413 5.815 . 0 0 "[ . 1 . 2]" 1
774 1 42 LYS HG2 1 54 GLN HG3 . . 6.820 5.598 3.968 6.567 . 0 0 "[ . 1 . 2]" 1
775 1 42 LYS HG3 1 54 GLN HB2 . . 7.250 5.118 3.038 5.988 . 0 0 "[ . 1 . 2]" 1
776 1 42 LYS HG3 1 54 GLN HB3 . . 7.250 3.929 2.011 4.985 . 0 0 "[ . 1 . 2]" 1
777 1 42 LYS HG3 1 54 GLN HG2 . . 6.820 3.026 2.082 4.567 . 0 0 "[ . 1 . 2]" 1
778 1 42 LYS HG3 1 54 GLN HG3 . . 6.820 4.294 3.484 5.274 . 0 0 "[ . 1 . 2]" 1
779 1 43 LEU H 1 43 LEU HB2 . . 3.330 2.424 2.354 2.491 . 0 0 "[ . 1 . 2]" 1
780 1 43 LEU H 1 43 LEU QB . . 2.990 2.381 2.317 2.442 . 0 0 "[ . 1 . 2]" 1
781 1 43 LEU H 1 43 LEU HB3 . . 3.330 3.485 3.450 3.521 0.191 11 0 "[ . 1 . 2]" 1
782 1 43 LEU H 1 43 LEU HG . . 4.630 4.653 4.511 4.717 0.087 15 0 "[ . 1 . 2]" 1
783 1 43 LEU H 1 44 VAL H . . 5.070 4.484 4.455 4.512 . 0 0 "[ . 1 . 2]" 1
784 1 43 LEU HA 1 43 LEU MD1 . . 4.360 1.968 1.925 2.080 . 0 0 "[ . 1 . 2]" 1
785 1 43 LEU HA 1 43 LEU QD . . 3.760 1.909 1.863 1.986 . 0 0 "[ . 1 . 2]" 1
786 1 43 LEU HA 1 43 LEU MD2 . . 4.360 2.611 2.327 2.811 . 0 0 "[ . 1 . 2]" 1
787 1 43 LEU HA 1 44 VAL H . . 2.590 2.358 2.310 2.435 . 0 0 "[ . 1 . 2]" 1
788 1 43 LEU HA 1 44 VAL QG . . 7.780 3.560 3.306 3.973 . 0 0 "[ . 1 . 2]" 1
789 1 43 LEU HA 1 51 LYS QB . . 6.380 4.423 3.788 4.812 . 0 0 "[ . 1 . 2]" 1
790 1 43 LEU HA 1 54 GLN H . . 3.480 3.453 3.290 3.524 0.044 17 0 "[ . 1 . 2]" 1
791 1 43 LEU QB 1 43 LEU HG . . 2.320 2.163 2.158 2.166 . 0 0 "[ . 1 . 2]" 1
792 1 43 LEU QB 1 44 VAL H . . 3.860 2.851 2.657 2.968 . 0 0 "[ . 1 . 2]" 1
793 1 43 LEU HB2 1 43 LEU HG . . 2.560 2.479 2.409 2.542 . 0 0 "[ . 1 . 2]" 1
794 1 43 LEU HB2 1 44 VAL H . . 4.200 4.170 4.039 4.245 0.045 18 0 "[ . 1 . 2]" 1
795 1 43 LEU HB3 1 43 LEU HG . . 2.560 2.388 2.335 2.453 . 0 0 "[ . 1 . 2]" 1
796 1 43 LEU HB3 1 44 VAL H . . 4.200 2.903 2.694 3.030 . 0 0 "[ . 1 . 2]" 1
797 1 43 LEU QD 1 51 LYS QB . . 7.140 2.246 1.789 2.606 . 0 0 "[ . 1 . 2]" 1
798 1 43 LEU QD 1 52 LYS H . . 7.070 3.233 2.921 3.684 . 0 0 "[ . 1 . 2]" 1
799 1 43 LEU QD 1 53 LEU HA . . 6.050 2.839 2.580 3.106 . 0 0 "[ . 1 . 2]" 1
800 1 43 LEU QD 1 54 GLN H . . 6.730 3.200 2.927 3.363 . 0 0 "[ . 1 . 2]" 1
801 1 44 VAL H 1 44 VAL HB . . 3.020 2.819 2.674 2.914 . 0 0 "[ . 1 . 2]" 1
802 1 44 VAL H 1 51 LYS QB . . 5.940 3.220 2.297 3.676 . 0 0 "[ . 1 . 2]" 1
803 1 44 VAL H 1 52 LYS H . . 3.860 2.476 2.093 3.002 . 0 0 "[ . 1 . 2]" 1
804 1 44 VAL H 1 52 LYS HB2 . . 5.000 3.415 2.834 4.613 . 0 0 "[ . 1 . 2]" 1
805 1 44 VAL H 1 52 LYS QB . . 4.730 2.926 2.406 3.321 . 0 0 "[ . 1 . 2]" 1
806 1 44 VAL H 1 52 LYS HB3 . . 5.000 3.346 2.423 4.075 . 0 0 "[ . 1 . 2]" 1
807 1 44 VAL HA 1 45 PRO QD . . 3.520 1.903 1.847 1.949 . 0 0 "[ . 1 . 2]" 1
808 1 44 VAL HB 1 52 LYS H . . 4.480 3.482 2.973 3.890 . 0 0 "[ . 1 . 2]" 1
809 1 44 VAL HB 1 52 LYS QD . . 4.800 2.893 2.277 4.276 . 0 0 "[ . 1 . 2]" 1
810 1 44 VAL HB 1 54 GLN QB . . 6.040 4.110 3.717 4.464 . 0 0 "[ . 1 . 2]" 1
811 1 44 VAL QG 1 45 PRO QD . . 4.470 2.677 2.014 2.932 . 0 0 "[ . 1 . 2]" 1
812 1 44 VAL QG 1 52 LYS H . . 7.130 3.678 3.167 4.010 . 0 0 "[ . 1 . 2]" 1
813 1 44 VAL QG 1 52 LYS QB . . 6.200 2.547 1.947 2.919 . 0 0 "[ . 1 . 2]" 1
814 1 44 VAL QG 1 52 LYS QE . . 8.960 3.177 1.953 4.100 . 0 0 "[ . 1 . 2]" 1
815 1 44 VAL QG 1 54 GLN H . . 8.090 4.647 4.256 5.220 . 0 0 "[ . 1 . 2]" 1
816 1 44 VAL QG 1 54 GLN QB . . 7.080 3.425 3.124 4.190 . 0 0 "[ . 1 . 2]" 1
817 1 44 VAL QG 1 54 GLN QG . . 8.250 4.446 4.111 5.312 . 0 0 "[ . 1 . 2]" 1
818 1 44 VAL MG1 1 45 PRO HD2 . . 5.290 2.906 2.102 3.239 . 0 0 "[ . 1 . 2]" 1
819 1 44 VAL MG1 1 45 PRO HD3 . . 5.290 3.818 3.288 4.051 . 0 0 "[ . 1 . 2]" 1
820 1 44 VAL MG1 1 52 LYS HB2 . . 7.940 2.839 1.981 3.783 . 0 0 "[ . 1 . 2]" 1
821 1 44 VAL MG1 1 52 LYS HB3 . . 7.940 3.605 2.654 4.161 . 0 0 "[ . 1 . 2]" 1
822 1 44 VAL MG1 1 54 GLN HB2 . . 9.090 5.605 5.095 6.099 . 0 0 "[ . 1 . 2]" 1
823 1 44 VAL MG1 1 54 GLN HB3 . . 9.090 5.728 5.186 6.585 . 0 0 "[ . 1 . 2]" 1
824 1 44 VAL MG2 1 45 PRO HD2 . . 5.290 3.732 2.853 4.019 . 0 0 "[ . 1 . 2]" 1
825 1 44 VAL MG2 1 45 PRO HD3 . . 5.290 3.906 3.306 4.081 . 0 0 "[ . 1 . 2]" 1
826 1 44 VAL MG2 1 52 LYS HB2 . . 7.940 3.987 3.609 5.030 . 0 0 "[ . 1 . 2]" 1
827 1 44 VAL MG2 1 52 LYS HB3 . . 7.940 3.670 3.270 4.260 . 0 0 "[ . 1 . 2]" 1
828 1 44 VAL MG2 1 54 GLN HB2 . . 9.090 4.248 3.292 5.475 . 0 0 "[ . 1 . 2]" 1
829 1 44 VAL MG2 1 54 GLN HB3 . . 9.090 3.811 3.309 4.728 . 0 0 "[ . 1 . 2]" 1
830 1 45 PRO HA 1 46 VAL H . . 3.270 2.213 2.178 2.390 . 0 0 "[ . 1 . 2]" 1
831 1 45 PRO HA 1 50 ILE MG . . 6.340 4.867 4.541 5.097 . 0 0 "[ . 1 . 2]" 1
832 1 45 PRO HA 1 51 LYS HA . . 2.400 2.250 1.991 2.444 0.044 18 0 "[ . 1 . 2]" 1
833 1 45 PRO HA 1 51 LYS QB . . 6.310 3.474 2.362 3.815 . 0 0 "[ . 1 . 2]" 1
834 1 45 PRO HA 1 51 LYS QD . . 6.380 4.038 3.412 4.531 . 0 0 "[ . 1 . 2]" 1
835 1 45 PRO HA 1 51 LYS QE . . 6.380 4.045 3.180 5.089 . 0 0 "[ . 1 . 2]" 1
836 1 45 PRO HA 1 51 LYS HG2 . . 4.510 2.661 1.993 3.176 . 0 0 "[ . 1 . 2]" 1
837 1 45 PRO HA 1 51 LYS QG . . 3.990 2.046 1.789 2.413 . 0 0 "[ . 1 . 2]" 1
838 1 45 PRO HA 1 51 LYS HG3 . . 4.510 2.271 1.991 3.951 . 0 0 "[ . 1 . 2]" 1
839 1 45 PRO QB 1 46 VAL H . . 3.620 3.158 2.705 3.275 . 0 0 "[ . 1 . 2]" 1
840 1 45 PRO QB 1 51 LYS QG . . 5.980 2.244 1.888 3.030 . 0 0 "[ . 1 . 2]" 1
841 1 45 PRO HB2 1 46 VAL H . . 3.860 3.383 2.825 3.528 . 0 0 "[ . 1 . 2]" 1
842 1 45 PRO HB2 1 51 LYS HG2 . . 7.250 4.212 3.426 5.275 . 0 0 "[ . 1 . 2]" 1
843 1 45 PRO HB2 1 51 LYS HG3 . . 7.250 3.848 3.252 5.145 . 0 0 "[ . 1 . 2]" 1
844 1 45 PRO HB3 1 46 VAL H . . 3.860 3.789 3.456 3.883 0.023 13 0 "[ . 1 . 2]" 1
845 1 45 PRO HB3 1 51 LYS HG2 . . 7.250 2.680 2.076 3.840 . 0 0 "[ . 1 . 2]" 1
846 1 45 PRO HB3 1 51 LYS HG3 . . 7.250 2.610 2.005 3.730 . 0 0 "[ . 1 . 2]" 1
847 1 46 VAL H 1 46 VAL HB . . 3.390 2.675 2.216 3.465 0.075 10 0 "[ . 1 . 2]" 1
848 1 46 VAL H 1 47 GLY H . . 4.380 2.746 1.906 4.433 0.053 20 0 "[ . 1 . 2]" 1
849 1 46 VAL H 1 51 LYS HA . . 3.050 2.820 2.339 3.065 0.015 9 0 "[ . 1 . 2]" 1
850 1 46 VAL H 1 51 LYS QB . . 6.380 4.736 4.094 4.997 . 0 0 "[ . 1 . 2]" 1
851 1 46 VAL HA 1 46 VAL HB . . 2.900 2.759 2.332 3.026 0.126 20 0 "[ . 1 . 2]" 1
852 1 46 VAL HB 1 47 GLY H . . 4.760 3.401 2.104 4.673 . 0 0 "[ . 1 . 2]" 1
853 1 46 VAL QG 1 50 ILE HB . . 6.170 3.516 1.959 4.546 . 0 0 "[ . 1 . 2]" 1
854 1 46 VAL QG 1 51 LYS HA . . 6.760 3.377 2.491 3.997 . 0 0 "[ . 1 . 2]" 1
855 1 46 VAL QG 1 52 LYS H . . 6.850 4.129 3.316 5.099 . 0 0 "[ . 1 . 2]" 1
856 1 46 VAL QG 1 52 LYS HA . . 7.900 4.521 3.502 5.484 . 0 0 "[ . 1 . 2]" 1
857 1 46 VAL QG 1 52 LYS QD . . 8.190 4.266 2.894 5.246 . 0 0 "[ . 1 . 2]" 1
858 1 46 VAL QG 1 52 LYS QG . . 7.910 3.832 2.729 4.878 . 0 0 "[ . 1 . 2]" 1
859 1 47 GLY H 1 50 ILE MG . . 6.430 4.854 3.349 5.239 . 0 0 "[ . 1 . 2]" 1
860 1 50 ILE H 1 50 ILE HB . . 2.830 2.346 2.125 2.606 . 0 0 "[ . 1 . 2]" 1
861 1 50 ILE H 1 50 ILE MD . . 4.760 2.782 2.044 3.732 . 0 0 "[ . 1 . 2]" 1
862 1 50 ILE H 1 50 ILE HG12 . . 4.410 4.270 2.964 4.458 0.048 19 0 "[ . 1 . 2]" 1
863 1 50 ILE H 1 50 ILE HG13 . . 4.410 3.439 3.130 4.257 . 0 0 "[ . 1 . 2]" 1
864 1 50 ILE H 1 51 LYS H . . 5.000 4.550 4.454 4.601 . 0 0 "[ . 1 . 2]" 1
865 1 50 ILE HA 1 50 ILE HB . . 3.020 3.003 2.962 3.016 . 0 0 "[ . 1 . 2]" 1
866 1 50 ILE HA 1 50 ILE HG12 . . 4.040 3.181 2.678 3.487 . 0 0 "[ . 1 . 2]" 1
867 1 50 ILE HA 1 50 ILE QG . . 3.810 2.233 2.017 3.001 . 0 0 "[ . 1 . 2]" 1
868 1 50 ILE HA 1 50 ILE HG13 . . 4.040 2.319 2.041 3.602 . 0 0 "[ . 1 . 2]" 1
869 1 50 ILE HA 1 51 LYS H . . 2.520 2.439 2.364 2.480 . 0 0 "[ . 1 . 2]" 1
870 1 50 ILE HB 1 51 LYS H . . 3.860 3.879 3.715 3.949 0.089 5 0 "[ . 1 . 2]" 1
871 1 50 ILE MD 1 51 LYS H . . 6.160 4.759 3.286 4.938 . 0 0 "[ . 1 . 2]" 1
872 1 50 ILE QG 1 51 LYS H . . 6.380 3.740 3.396 4.296 . 0 0 "[ . 1 . 2]" 1
873 1 50 ILE MG 1 51 LYS H . . 4.570 1.887 1.817 1.983 . 0 0 "[ . 1 . 2]" 1
874 1 50 ILE MG 1 51 LYS HA . . 6.530 3.215 3.022 3.480 . 0 0 "[ . 1 . 2]" 1
875 1 50 ILE MG 1 52 LYS HA . . 6.430 4.253 4.001 4.405 . 0 0 "[ . 1 . 2]" 1
876 1 51 LYS H 1 51 LYS HG2 . . 5.500 4.767 3.842 5.010 . 0 0 "[ . 1 . 2]" 1
877 1 51 LYS H 1 51 LYS HG3 . . 5.500 3.824 2.956 4.179 . 0 0 "[ . 1 . 2]" 1
878 1 51 LYS HA 1 51 LYS HG2 . . 3.800 2.978 2.509 3.349 . 0 0 "[ . 1 . 2]" 1
879 1 51 LYS HA 1 51 LYS QG . . 3.520 2.147 2.010 2.501 . 0 0 "[ . 1 . 2]" 1
880 1 51 LYS HA 1 51 LYS HG3 . . 3.800 2.249 2.035 3.258 . 0 0 "[ . 1 . 2]" 1
881 1 51 LYS HA 1 52 LYS H . . 2.520 2.479 2.416 2.531 0.011 19 0 "[ . 1 . 2]" 1
882 1 51 LYS QB 1 52 LYS H . . 5.290 2.528 2.342 2.756 . 0 0 "[ . 1 . 2]" 1
883 1 52 LYS H 1 52 LYS HB2 . . 3.210 2.281 2.126 2.971 . 0 0 "[ . 1 . 2]" 1
884 1 52 LYS H 1 52 LYS QB . . 2.940 2.133 2.095 2.214 . 0 0 "[ . 1 . 2]" 1
885 1 52 LYS H 1 52 LYS HB3 . . 3.210 2.986 2.213 3.212 0.002 11 0 "[ . 1 . 2]" 1
886 1 52 LYS H 1 52 LYS HG2 . . 4.480 4.442 4.143 4.571 0.091 5 0 "[ . 1 . 2]" 1
887 1 52 LYS H 1 52 LYS QG . . 4.140 3.684 3.577 3.824 . 0 0 "[ . 1 . 2]" 1
888 1 52 LYS H 1 52 LYS HG3 . . 4.480 3.953 3.768 4.358 . 0 0 "[ . 1 . 2]" 1
889 1 52 LYS HA 1 53 LEU H . . 3.610 2.261 2.187 2.378 . 0 0 "[ . 1 . 2]" 1
890 1 52 LYS HB2 1 52 LYS HE2 . . 5.500 4.083 2.530 4.955 . 0 0 "[ . 1 . 2]" 1
891 1 52 LYS HB2 1 52 LYS HE3 . . 5.500 3.756 3.055 4.548 . 0 0 "[ . 1 . 2]" 1
892 1 52 LYS HB3 1 52 LYS HE2 . . 5.500 4.285 2.515 4.801 . 0 0 "[ . 1 . 2]" 1
893 1 52 LYS HB3 1 52 LYS HE3 . . 5.500 4.357 4.076 4.774 . 0 0 "[ . 1 . 2]" 1
894 1 53 LEU H 1 53 LEU HB2 . . 3.420 2.298 2.120 2.501 . 0 0 "[ . 1 . 2]" 1
895 1 53 LEU H 1 53 LEU QB . . 3.200 2.236 2.084 2.396 . 0 0 "[ . 1 . 2]" 1
896 1 53 LEU H 1 53 LEU HB3 . . 3.420 3.084 2.768 3.227 . 0 0 "[ . 1 . 2]" 1
897 1 53 LEU H 1 53 LEU HG . . 5.500 4.530 4.301 4.737 . 0 0 "[ . 1 . 2]" 1
898 1 53 LEU HA 1 55 ILE MG . . 5.850 4.010 3.861 4.179 . 0 0 "[ . 1 . 2]" 1
899 1 53 LEU QD 1 54 GLN H . . 6.520 3.541 3.286 3.683 . 0 0 "[ . 1 . 2]" 1
900 1 54 GLN H 1 54 GLN HB2 . . 3.270 2.846 2.185 3.140 . 0 0 "[ . 1 . 2]" 1
901 1 54 GLN H 1 54 GLN QB . . 3.080 2.235 2.158 2.322 . 0 0 "[ . 1 . 2]" 1
902 1 54 GLN H 1 54 GLN HB3 . . 3.270 2.481 2.291 3.346 0.076 5 0 "[ . 1 . 2]" 1
903 1 54 GLN H 1 54 GLN HG2 . . 4.600 4.297 4.116 4.557 . 0 0 "[ . 1 . 2]" 1
904 1 54 GLN H 1 54 GLN QG . . 4.110 3.797 3.395 3.897 . 0 0 "[ . 1 . 2]" 1
905 1 54 GLN H 1 54 GLN HG3 . . 4.600 4.275 3.590 4.492 . 0 0 "[ . 1 . 2]" 1
906 1 54 GLN HA 1 54 GLN QG . . 3.860 2.476 2.074 2.613 . 0 0 "[ . 1 . 2]" 1
907 1 54 GLN HA 1 55 ILE H . . 2.460 2.292 2.267 2.353 . 0 0 "[ . 1 . 2]" 1
908 1 54 GLN HA 1 55 ILE MD . . 5.260 3.459 2.779 3.946 . 0 0 "[ . 1 . 2]" 1
909 1 54 GLN QB 1 54 GLN QG . . 2.450 2.101 2.078 2.126 . 0 0 "[ . 1 . 2]" 1
910 1 54 GLN HB2 1 55 ILE H . . 4.110 4.062 3.874 4.411 0.301 15 0 "[ . 1 . 2]" 1
911 1 54 GLN HB3 1 55 ILE H . . 4.110 4.050 3.043 4.240 0.130 8 0 "[ . 1 . 2]" 1
912 1 54 GLN QE 1 86 ALA MB . . 5.740 2.788 1.889 3.805 . 0 0 "[ . 1 . 2]" 1
913 1 54 GLN HE21 1 86 ALA MB . . 5.970 3.462 2.043 5.013 . 0 0 "[ . 1 . 2]" 1
914 1 54 GLN HE22 1 86 ALA MB . . 5.970 3.043 2.019 3.943 . 0 0 "[ . 1 . 2]" 1
915 1 54 GLN HG2 1 55 ILE H . . 5.500 3.469 3.151 3.754 . 0 0 "[ . 1 . 2]" 1
916 1 54 GLN HG3 1 55 ILE H . . 5.500 2.448 2.022 4.556 . 0 0 "[ . 1 . 2]" 1
917 1 55 ILE H 1 55 ILE HB . . 3.860 3.942 3.859 3.977 0.117 6 0 "[ . 1 . 2]" 1
918 1 55 ILE H 1 55 ILE MD . . 4.230 2.058 1.923 2.347 . 0 0 "[ . 1 . 2]" 1
919 1 55 ILE HA 1 55 ILE QG . . 3.970 3.289 3.182 3.431 . 0 0 "[ . 1 . 2]" 1
920 1 55 ILE HA 1 56 GLN H . . 2.800 2.385 2.290 2.498 . 0 0 "[ . 1 . 2]" 1
921 1 55 ILE HB 1 55 ILE MD . . 3.640 3.201 3.154 3.214 . 0 0 "[ . 1 . 2]" 1
922 1 55 ILE HB 1 55 ILE HG12 . . 3.020 2.513 2.465 2.638 . 0 0 "[ . 1 . 2]" 1
923 1 55 ILE HB 1 55 ILE QG . . 2.580 2.169 2.153 2.173 . 0 0 "[ . 1 . 2]" 1
924 1 55 ILE HB 1 55 ILE HG13 . . 3.020 2.373 2.282 2.413 . 0 0 "[ . 1 . 2]" 1
925 1 55 ILE HB 1 56 GLN H . . 3.980 2.900 2.565 3.158 . 0 0 "[ . 1 . 2]" 1
926 1 55 ILE MD 1 56 GLN H . . 6.530 4.154 3.805 4.593 . 0 0 "[ . 1 . 2]" 1
927 1 55 ILE QG 1 56 GLN H . . 4.420 2.926 2.451 3.441 . 0 0 "[ . 1 . 2]" 1
928 1 55 ILE QG 1 73 ILE MD . . 7.400 3.823 3.408 4.311 . 0 0 "[ . 1 . 2]" 1
929 1 55 ILE HG12 1 56 GLN H . . 4.880 2.990 2.477 3.592 . 0 0 "[ . 1 . 2]" 1
930 1 55 ILE HG13 1 56 GLN H . . 4.880 4.230 3.826 4.625 . 0 0 "[ . 1 . 2]" 1
931 1 55 ILE MG 1 56 GLN H . . 6.530 4.165 3.877 4.306 . 0 0 "[ . 1 . 2]" 1
932 1 56 GLN H 1 56 GLN HB2 . . 3.390 3.104 2.919 3.277 . 0 0 "[ . 1 . 2]" 1
933 1 56 GLN H 1 56 GLN QB . . 3.200 2.493 2.378 2.599 . 0 0 "[ . 1 . 2]" 1
934 1 56 GLN H 1 56 GLN HB3 . . 3.390 2.631 2.486 2.749 . 0 0 "[ . 1 . 2]" 1
935 1 56 GLN H 1 56 GLN HG2 . . 5.000 4.631 4.358 4.902 . 0 0 "[ . 1 . 2]" 1
936 1 56 GLN H 1 56 GLN QG . . 4.700 4.055 3.912 4.134 . 0 0 "[ . 1 . 2]" 1
937 1 56 GLN H 1 56 GLN HG3 . . 5.000 4.533 4.289 4.975 . 0 0 "[ . 1 . 2]" 1
938 1 56 GLN H 1 57 CYS H . . 5.190 4.454 4.384 4.525 . 0 0 "[ . 1 . 2]" 1
939 1 56 GLN HA 1 57 CYS H . . 2.620 2.307 2.282 2.333 . 0 0 "[ . 1 . 2]" 1
940 1 56 GLN QB 1 57 CYS H . . 3.920 3.625 3.557 3.675 . 0 0 "[ . 1 . 2]" 1
941 1 56 GLN HB2 1 57 CYS H . . 4.110 4.103 3.938 4.200 0.090 18 0 "[ . 1 . 2]" 1
942 1 56 GLN HB3 1 57 CYS H . . 4.110 4.042 3.860 4.168 0.058 19 0 "[ . 1 . 2]" 1
943 1 56 GLN QG 1 58 VAL QG . . 8.960 3.315 3.056 3.550 . 0 0 "[ . 1 . 2]" 1
944 1 56 GLN HG2 1 57 CYS H . . 4.850 3.265 1.975 4.040 . 0 0 "[ . 1 . 2]" 1
945 1 56 GLN HG2 1 91 ILE MD . . 4.820 3.990 3.834 4.110 . 0 0 "[ . 1 . 2]" 1
946 1 56 GLN HG3 1 57 CYS H . . 4.850 2.553 1.952 3.724 . 0 0 "[ . 1 . 2]" 1
947 1 56 GLN HG3 1 91 ILE MD . . 4.820 4.039 3.947 4.156 . 0 0 "[ . 1 . 2]" 1
948 1 57 CYS H 1 57 CYS HB2 . . 4.070 3.558 2.575 3.873 . 0 0 "[ . 1 . 2]" 1
949 1 57 CYS H 1 57 CYS QB . . 3.880 3.099 2.450 3.315 . 0 0 "[ . 1 . 2]" 1
950 1 57 CYS H 1 57 CYS HB3 . . 4.070 3.434 3.031 3.717 . 0 0 "[ . 1 . 2]" 1
951 1 57 CYS H 1 58 VAL H . . 5.500 4.375 4.272 4.441 . 0 0 "[ . 1 . 2]" 1
952 1 57 CYS HA 1 58 VAL H . . 3.170 2.607 2.392 2.867 . 0 0 "[ . 1 . 2]" 1
953 1 57 CYS QB 1 58 VAL H . . 3.130 2.388 1.995 2.745 . 0 0 "[ . 1 . 2]" 1
954 1 57 CYS HB2 1 58 VAL H . . 3.550 2.674 2.006 3.727 0.177 17 0 "[ . 1 . 2]" 1
955 1 57 CYS HB3 1 58 VAL H . . 3.550 3.351 2.298 3.614 0.064 9 0 "[ . 1 . 2]" 1
956 1 58 VAL H 1 58 VAL HB . . 2.770 2.700 2.520 2.916 0.146 16 0 "[ . 1 . 2]" 1
957 1 58 VAL H 1 59 VAL H . . 4.380 3.640 2.823 4.118 . 0 0 "[ . 1 . 2]" 1
958 1 58 VAL HA 1 59 VAL H . . 2.620 2.334 2.193 2.593 . 0 0 "[ . 1 . 2]" 1
959 1 58 VAL HA 1 59 VAL QG . . 8.090 3.468 3.208 3.729 . 0 0 "[ . 1 . 2]" 1
960 1 58 VAL HA 1 91 ILE MD . . 6.310 3.549 2.203 5.140 . 0 0 "[ . 1 . 2]" 1
961 1 58 VAL HB 1 59 VAL H . . 5.500 4.525 4.408 4.582 . 0 0 "[ . 1 . 2]" 1
962 1 59 VAL H 1 59 VAL HB . . 3.920 3.586 3.564 3.648 . 0 0 "[ . 1 . 2]" 1
963 1 59 VAL HA 1 59 VAL HB . . 2.770 2.342 2.283 2.440 . 0 0 "[ . 1 . 2]" 1
964 1 59 VAL HA 1 60 GLU H . . 2.520 2.566 2.461 2.619 0.099 13 0 "[ . 1 . 2]" 1
965 1 59 VAL HB 1 60 GLU H . . 3.050 2.436 2.251 2.633 . 0 0 "[ . 1 . 2]" 1
966 1 59 VAL QG 1 60 GLU H . . 5.880 2.811 2.579 3.062 . 0 0 "[ . 1 . 2]" 1
967 1 59 VAL QG 1 61 ASP HA . . 6.850 3.990 3.454 4.351 . 0 0 "[ . 1 . 2]" 1
968 1 59 VAL MG1 1 60 GLU H . . 6.530 3.921 3.708 4.054 . 0 0 "[ . 1 . 2]" 1
969 1 59 VAL MG2 1 60 GLU H . . 6.530 2.889 2.611 3.257 . 0 0 "[ . 1 . 2]" 1
970 1 60 GLU H 1 60 GLU HB2 . . 3.330 2.229 2.102 3.155 . 0 0 "[ . 1 . 2]" 1
971 1 60 GLU H 1 60 GLU QB . . 3.120 2.110 2.078 2.193 . 0 0 "[ . 1 . 2]" 1
972 1 60 GLU H 1 60 GLU HB3 . . 3.330 3.141 2.213 3.401 0.071 2 0 "[ . 1 . 2]" 1
973 1 60 GLU H 1 60 GLU HG2 . . 4.380 3.921 3.428 4.486 0.106 16 0 "[ . 1 . 2]" 1
974 1 60 GLU H 1 60 GLU QG . . 3.980 3.531 3.272 3.727 . 0 0 "[ . 1 . 2]" 1
975 1 60 GLU H 1 60 GLU HG3 . . 4.380 4.090 3.720 4.354 . 0 0 "[ . 1 . 2]" 1
976 1 60 GLU HA 1 60 GLU HG2 . . 4.230 2.487 1.966 3.748 . 0 0 "[ . 1 . 2]" 1
977 1 60 GLU HA 1 60 GLU QG . . 3.860 2.162 1.945 2.704 . 0 0 "[ . 1 . 2]" 1
978 1 60 GLU HA 1 60 GLU HG3 . . 4.230 3.107 2.014 3.552 . 0 0 "[ . 1 . 2]" 1
979 1 60 GLU QB 1 62 ASP H . . 6.380 2.988 1.901 4.886 . 0 0 "[ . 1 . 2]" 1
980 1 60 GLU QG 1 61 ASP H . . 6.380 3.498 2.874 4.616 . 0 0 "[ . 1 . 2]" 1
981 1 61 ASP H 1 61 ASP HB2 . . 3.920 2.804 2.024 3.577 . 0 0 "[ . 1 . 2]" 1
982 1 61 ASP H 1 61 ASP QB . . 3.470 2.478 1.998 3.040 . 0 0 "[ . 1 . 2]" 1
983 1 61 ASP H 1 61 ASP HB3 . . 3.920 2.976 2.148 3.933 0.013 20 0 "[ . 1 . 2]" 1
984 1 61 ASP H 1 62 ASP H . . 4.110 3.001 1.920 4.220 0.110 8 0 "[ . 1 . 2]" 1
985 1 61 ASP HA 1 61 ASP HB2 . . 2.990 2.554 2.324 2.985 . 0 0 "[ . 1 . 2]" 1
986 1 61 ASP HA 1 61 ASP QB . . 2.700 2.400 2.196 2.554 . 0 0 "[ . 1 . 2]" 1
987 1 61 ASP HA 1 61 ASP HB3 . . 2.990 2.977 2.594 3.041 0.051 17 0 "[ . 1 . 2]" 1
988 1 61 ASP HA 1 62 ASP H . . 3.520 3.491 3.237 3.655 0.135 12 0 "[ . 1 . 2]" 1
989 1 62 ASP H 1 62 ASP HA . . 2.770 2.884 2.842 2.910 0.140 3 0 "[ . 1 . 2]" 1
990 1 62 ASP H 1 62 ASP HB2 . . 3.360 2.981 2.340 3.251 . 0 0 "[ . 1 . 2]" 1
991 1 62 ASP H 1 62 ASP QB . . 3.180 2.638 2.220 2.803 . 0 0 "[ . 1 . 2]" 1
992 1 62 ASP H 1 62 ASP HB3 . . 3.360 2.980 2.684 3.191 . 0 0 "[ . 1 . 2]" 1
993 1 62 ASP H 1 63 LYS H . . 3.610 2.072 1.856 2.595 . 0 0 "[ . 1 . 2]" 1
994 1 62 ASP H 1 63 LYS QB . . 6.380 3.332 3.115 4.683 . 0 0 "[ . 1 . 2]" 1
995 1 62 ASP H 1 64 VAL H . . 4.570 4.267 3.050 4.651 0.081 16 0 "[ . 1 . 2]" 1
996 1 62 ASP HA 1 63 LYS H . . 3.610 3.083 3.021 3.654 0.044 19 0 "[ . 1 . 2]" 1
997 1 63 LYS H 1 63 LYS HB2 . . 3.670 2.466 2.144 3.175 . 0 0 "[ . 1 . 2]" 1
998 1 63 LYS H 1 63 LYS QB . . 3.320 2.331 2.111 2.603 . 0 0 "[ . 1 . 2]" 1
999 1 63 LYS H 1 63 LYS HB3 . . 3.670 3.018 2.640 3.491 . 0 0 "[ . 1 . 2]" 1
1000 1 63 LYS H 1 63 LYS QE . . 6.380 5.013 3.174 5.738 . 0 0 "[ . 1 . 2]" 1
1001 1 63 LYS H 1 64 VAL H . . 3.170 2.439 1.849 2.963 . 0 0 "[ . 1 . 2]" 1
1002 1 63 LYS HA 1 64 VAL H . . 3.520 3.608 3.509 3.639 0.119 3 0 "[ . 1 . 2]" 1
1003 1 63 LYS QB 1 64 VAL QG . . 6.510 2.803 2.251 3.541 . 0 0 "[ . 1 . 2]" 1
1004 1 63 LYS HB2 1 64 VAL H . . 3.700 3.320 2.419 3.624 . 0 0 "[ . 1 . 2]" 1
1005 1 63 LYS HB3 1 64 VAL H . . 3.700 2.504 1.894 3.478 . 0 0 "[ . 1 . 2]" 1
1006 1 64 VAL H 1 64 VAL HB . . 3.080 2.555 2.227 3.050 . 0 0 "[ . 1 . 2]" 1
1007 1 64 VAL HA 1 65 GLY H . . 2.650 2.308 2.181 2.623 . 0 0 "[ . 1 . 2]" 1
1008 1 64 VAL HB 1 65 GLY H . . 4.820 4.130 3.568 4.649 . 0 0 "[ . 1 . 2]" 1
1009 1 64 VAL QG 1 68 MET QB . . 8.500 3.486 2.322 4.224 . 0 0 "[ . 1 . 2]" 1
1010 1 65 GLY H 1 67 ASP H . . 5.000 4.091 2.856 4.902 . 0 0 "[ . 1 . 2]" 1
1011 1 65 GLY H 1 68 MET H . . 4.410 4.345 3.783 4.491 0.081 12 0 "[ . 1 . 2]" 1
1012 1 65 GLY QA 1 66 THR H . . 3.120 2.342 2.215 2.971 . 0 0 "[ . 1 . 2]" 1
1013 1 65 GLY QA 1 66 THR MG . . 6.850 4.898 3.808 5.009 . 0 0 "[ . 1 . 2]" 1
1014 1 65 GLY QA 1 67 ASP H . . 6.280 3.367 2.784 3.889 . 0 0 "[ . 1 . 2]" 1
1015 1 65 GLY HA2 1 66 THR H . . 3.300 2.713 2.359 3.594 0.294 16 0 "[ . 1 . 2]" 1
1016 1 65 GLY HA3 1 66 THR H . . 3.300 2.730 2.241 3.574 0.274 17 0 "[ . 1 . 2]" 1
1017 1 66 THR H 1 66 THR HB . . 4.200 2.461 2.026 3.718 . 0 0 "[ . 1 . 2]" 1
1018 1 66 THR H 1 66 THR MG . . 4.570 3.607 2.210 3.902 . 0 0 "[ . 1 . 2]" 1
1019 1 66 THR HA 1 66 THR HB . . 3.020 3.014 2.522 3.065 0.045 8 0 "[ . 1 . 2]" 1
1020 1 66 THR HA 1 69 LEU H . . 3.640 3.380 2.857 3.704 0.064 13 0 "[ . 1 . 2]" 1
1021 1 66 THR HA 1 69 LEU QB . . 3.900 2.578 2.130 3.384 . 0 0 "[ . 1 . 2]" 1
1022 1 66 THR HA 1 69 LEU QD . . 6.140 2.824 1.926 3.557 . 0 0 "[ . 1 . 2]" 1
1023 1 66 THR HA 1 69 LEU HG . . 4.350 3.630 1.982 4.374 0.024 13 0 "[ . 1 . 2]" 1
1024 1 66 THR HA 1 70 GLU H . . 4.410 3.699 3.299 4.121 . 0 0 "[ . 1 . 2]" 1
1025 1 66 THR HA 1 83 MET ME . . 5.940 4.741 4.114 5.029 . 0 0 "[ . 1 . 2]" 1
1026 1 66 THR HB 1 67 ASP H . . 5.500 3.799 2.916 4.713 . 0 0 "[ . 1 . 2]" 1
1027 1 66 THR HB 1 69 LEU QB . . 6.100 5.054 4.543 5.302 . 0 0 "[ . 1 . 2]" 1
1028 1 66 THR HB 1 83 MET ME . . 5.350 4.183 3.640 4.455 . 0 0 "[ . 1 . 2]" 1
1029 1 66 THR MG 1 69 LEU QD . . 7.890 3.658 3.102 4.410 . 0 0 "[ . 1 . 2]" 1
1030 1 66 THR MG 1 83 MET ME . . 7.560 2.040 1.798 2.376 . 0 0 "[ . 1 . 2]" 1
1031 1 66 THR MG 1 83 MET HG2 . . 6.120 4.855 4.382 5.191 . 0 0 "[ . 1 . 2]" 1
1032 1 66 THR MG 1 83 MET QG . . 5.830 4.242 4.047 4.371 . 0 0 "[ . 1 . 2]" 1
1033 1 66 THR MG 1 83 MET HG3 . . 6.120 4.771 4.270 5.184 . 0 0 "[ . 1 . 2]" 1
1034 1 66 THR MG 1 88 PHE HZ . . 5.750 4.409 3.392 4.846 . 0 0 "[ . 1 . 2]" 1
1035 1 67 ASP H 1 67 ASP HB2 . . 3.830 3.541 3.456 3.585 . 0 0 "[ . 1 . 2]" 1
1036 1 67 ASP H 1 67 ASP QB . . 3.650 2.775 2.398 3.050 . 0 0 "[ . 1 . 2]" 1
1037 1 67 ASP H 1 67 ASP HB3 . . 3.830 2.922 2.438 3.393 . 0 0 "[ . 1 . 2]" 1
1038 1 67 ASP H 1 68 MET H . . 3.890 2.754 2.195 3.377 . 0 0 "[ . 1 . 2]" 1
1039 1 67 ASP H 1 70 GLU QB . . 6.190 4.518 4.300 4.784 . 0 0 "[ . 1 . 2]" 1
1040 1 67 ASP HA 1 67 ASP HB2 . . 2.770 2.643 2.491 2.745 . 0 0 "[ . 1 . 2]" 1
1041 1 67 ASP HA 1 67 ASP HB3 . . 2.770 2.341 2.286 2.455 . 0 0 "[ . 1 . 2]" 1
1042 1 67 ASP HA 1 70 GLU H . . 3.890 3.796 3.364 3.940 0.050 12 0 "[ . 1 . 2]" 1
1043 1 67 ASP HA 1 70 GLU HB2 . . 3.920 3.825 3.283 3.996 0.076 13 0 "[ . 1 . 2]" 1
1044 1 67 ASP HA 1 70 GLU HB3 . . 3.920 2.999 2.583 3.293 . 0 0 "[ . 1 . 2]" 1
1045 1 67 ASP HA 1 71 GLU H . . 4.410 4.143 3.820 4.433 0.023 8 0 "[ . 1 . 2]" 1
1046 1 67 ASP QB 1 68 MET H . . 4.350 2.879 2.378 3.335 . 0 0 "[ . 1 . 2]" 1
1047 1 67 ASP HB2 1 68 MET H . . 4.630 3.001 2.414 3.596 . 0 0 "[ . 1 . 2]" 1
1048 1 67 ASP HB3 1 68 MET H . . 4.630 3.787 3.582 3.948 . 0 0 "[ . 1 . 2]" 1
1049 1 68 MET H 1 68 MET HB2 . . 3.110 2.056 1.989 2.161 . 0 0 "[ . 1 . 2]" 1
1050 1 68 MET H 1 68 MET HB3 . . 3.110 2.943 2.747 3.089 . 0 0 "[ . 1 . 2]" 1
1051 1 68 MET H 1 68 MET HG2 . . 5.160 4.080 3.763 4.391 . 0 0 "[ . 1 . 2]" 1
1052 1 68 MET H 1 68 MET QG . . 4.990 3.649 3.499 3.804 . 0 0 "[ . 1 . 2]" 1
1053 1 68 MET H 1 68 MET HG3 . . 5.160 4.166 3.816 4.454 . 0 0 "[ . 1 . 2]" 1
1054 1 68 MET H 1 69 LEU H . . 3.450 2.798 2.564 3.190 . 0 0 "[ . 1 . 2]" 1
1055 1 68 MET H 1 69 LEU HG . . 5.500 4.738 3.936 5.503 0.003 15 0 "[ . 1 . 2]" 1
1056 1 68 MET H 1 70 GLU H . . 4.850 4.204 3.743 4.851 0.001 15 0 "[ . 1 . 2]" 1
1057 1 68 MET HA 1 68 MET ME . . 6.090 3.587 3.220 3.947 . 0 0 "[ . 1 . 2]" 1
1058 1 68 MET HA 1 71 GLU H . . 4.140 3.432 3.114 3.831 . 0 0 "[ . 1 . 2]" 1
1059 1 68 MET HA 1 71 GLU HA . . 5.500 5.428 4.946 5.575 0.075 5 0 "[ . 1 . 2]" 1
1060 1 68 MET HA 1 71 GLU QB . . 3.990 2.681 2.050 3.467 . 0 0 "[ . 1 . 2]" 1
1061 1 68 MET HA 1 72 GLN H . . 4.510 4.475 4.209 4.637 0.127 14 0 "[ . 1 . 2]" 1
1062 1 68 MET QB 1 69 LEU H . . 3.200 2.417 2.004 2.670 . 0 0 "[ . 1 . 2]" 1
1063 1 68 MET HB2 1 69 LEU H . . 3.420 3.364 3.153 3.472 0.052 10 0 "[ . 1 . 2]" 1
1064 1 68 MET HB3 1 69 LEU H . . 3.420 2.485 2.022 2.795 . 0 0 "[ . 1 . 2]" 1
1065 1 68 MET ME 1 69 LEU HA . . 4.020 2.897 2.063 3.226 . 0 0 "[ . 1 . 2]" 1
1066 1 68 MET ME 1 69 LEU QD . . 9.120 2.843 1.775 4.800 . 0 0 "[ . 1 . 2]" 1
1067 1 68 MET HG2 1 69 LEU H . . 5.500 4.713 4.096 5.136 . 0 0 "[ . 1 . 2]" 1
1068 1 68 MET HG3 1 69 LEU H . . 5.500 5.031 4.591 5.254 . 0 0 "[ . 1 . 2]" 1
1069 1 69 LEU H 1 69 LEU HB2 . . 3.390 2.443 2.148 3.454 0.064 5 0 "[ . 1 . 2]" 1
1070 1 69 LEU H 1 69 LEU QB . . 3.090 2.337 2.127 2.693 . 0 0 "[ . 1 . 2]" 1
1071 1 69 LEU H 1 69 LEU HB3 . . 3.390 3.439 2.160 3.535 0.145 20 0 "[ . 1 . 2]" 1
1072 1 69 LEU H 1 69 LEU MD1 . . 5.810 3.545 2.115 3.929 . 0 0 "[ . 1 . 2]" 1
1073 1 69 LEU H 1 69 LEU QD . . 4.880 2.963 2.106 3.314 . 0 0 "[ . 1 . 2]" 1
1074 1 69 LEU H 1 69 LEU MD2 . . 5.810 3.347 2.151 3.892 . 0 0 "[ . 1 . 2]" 1
1075 1 69 LEU H 1 69 LEU HG . . 3.860 2.400 1.934 2.820 . 0 0 "[ . 1 . 2]" 1
1076 1 69 LEU H 1 70 GLU H . . 3.580 2.812 2.615 3.114 . 0 0 "[ . 1 . 2]" 1
1077 1 69 LEU H 1 71 GLU H . . 4.720 4.421 3.814 4.693 . 0 0 "[ . 1 . 2]" 1
1078 1 69 LEU H 1 72 GLN H . . 5.500 4.764 4.656 4.936 . 0 0 "[ . 1 . 2]" 1
1079 1 69 LEU HA 1 69 LEU HG . . 3.700 3.027 2.477 3.758 0.058 5 0 "[ . 1 . 2]" 1
1080 1 69 LEU HA 1 71 GLU H . . 5.470 4.772 4.087 5.056 . 0 0 "[ . 1 . 2]" 1
1081 1 69 LEU HA 1 72 GLN H . . 3.550 3.487 3.346 3.603 0.053 2 0 "[ . 1 . 2]" 1
1082 1 69 LEU HA 1 72 GLN QG . . 6.190 3.609 2.204 4.516 . 0 0 "[ . 1 . 2]" 1
1083 1 69 LEU HA 1 73 ILE H . . 4.320 3.713 3.330 3.929 . 0 0 "[ . 1 . 2]" 1
1084 1 69 LEU HA 1 73 ILE MD . . 5.350 3.309 2.946 4.078 . 0 0 "[ . 1 . 2]" 1
1085 1 69 LEU HA 1 73 ILE QG . . 6.380 3.368 2.921 3.720 . 0 0 "[ . 1 . 2]" 1
1086 1 69 LEU QB 1 69 LEU HG . . 2.570 2.369 2.277 2.547 . 0 0 "[ . 1 . 2]" 1
1087 1 69 LEU QB 1 70 GLU H . . 3.730 2.681 2.343 3.394 . 0 0 "[ . 1 . 2]" 1
1088 1 69 LEU HB2 1 69 LEU HG . . 2.900 2.512 2.357 3.024 0.124 5 0 "[ . 1 . 2]" 1
1089 1 69 LEU HB2 1 70 GLU H . . 3.920 2.795 2.471 4.025 0.105 5 0 "[ . 1 . 2]" 1
1090 1 69 LEU HB3 1 69 LEU HG . . 2.900 2.987 2.560 3.032 0.132 18 0 "[ . 1 . 2]" 1
1091 1 69 LEU HB3 1 70 GLU H . . 3.920 3.582 2.906 3.996 0.076 14 0 "[ . 1 . 2]" 1
1092 1 69 LEU QD 1 70 GLU H . . 7.850 3.994 2.568 4.313 . 0 0 "[ . 1 . 2]" 1
1093 1 69 LEU HG 1 70 GLU H . . 4.630 4.397 1.962 4.701 0.071 17 0 "[ . 1 . 2]" 1
1094 1 70 GLU H 1 70 GLU HB2 . . 3.110 2.490 2.273 2.646 . 0 0 "[ . 1 . 2]" 1
1095 1 70 GLU H 1 70 GLU HB3 . . 3.110 2.478 2.356 2.715 . 0 0 "[ . 1 . 2]" 1
1096 1 70 GLU H 1 70 GLU HG2 . . 4.880 4.365 4.307 4.468 . 0 0 "[ . 1 . 2]" 1
1097 1 70 GLU H 1 70 GLU QG . . 4.240 3.925 3.875 3.943 . 0 0 "[ . 1 . 2]" 1
1098 1 70 GLU H 1 70 GLU HG3 . . 4.880 4.454 4.250 4.546 . 0 0 "[ . 1 . 2]" 1
1099 1 70 GLU H 1 71 GLU H . . 3.480 2.809 2.454 3.065 . 0 0 "[ . 1 . 2]" 1
1100 1 70 GLU H 1 72 GLN H . . 5.440 3.745 3.524 3.965 . 0 0 "[ . 1 . 2]" 1
1101 1 70 GLU H 1 83 MET ME . . 5.540 3.915 3.486 4.264 . 0 0 "[ . 1 . 2]" 1
1102 1 70 GLU HA 1 70 GLU HG2 . . 2.960 2.846 2.533 2.985 0.025 18 0 "[ . 1 . 2]" 1
1103 1 70 GLU HA 1 70 GLU HG3 . . 2.960 2.781 2.490 2.981 0.021 9 0 "[ . 1 . 2]" 1
1104 1 70 GLU HA 1 71 GLU H . . 3.610 3.631 3.514 3.644 0.034 17 0 "[ . 1 . 2]" 1
1105 1 70 GLU HA 1 73 ILE HB . . 3.330 2.774 2.245 3.335 0.005 9 0 "[ . 1 . 2]" 1
1106 1 70 GLU HA 1 73 ILE MD . . 6.530 3.028 2.441 4.571 . 0 0 "[ . 1 . 2]" 1
1107 1 70 GLU HA 1 74 THR H . . 4.350 2.830 2.513 3.174 . 0 0 "[ . 1 . 2]" 1
1108 1 70 GLU HA 1 74 THR MG . . 5.130 2.563 1.963 3.824 . 0 0 "[ . 1 . 2]" 1
1109 1 70 GLU HA 1 83 MET ME . . 4.230 3.087 2.650 3.406 . 0 0 "[ . 1 . 2]" 1
1110 1 70 GLU QB 1 71 GLU H . . 4.550 2.410 2.271 3.009 . 0 0 "[ . 1 . 2]" 1
1111 1 70 GLU QB 1 83 MET ME . . 7.400 2.043 1.847 2.321 . 0 0 "[ . 1 . 2]" 1
1112 1 70 GLU QG 1 71 GLU H . . 5.260 3.522 3.280 4.053 . 0 0 "[ . 1 . 2]" 1
1113 1 70 GLU QG 1 74 THR MG . . 5.390 1.789 1.646 2.139 . 0 0 "[ . 1 . 2]" 1
1114 1 71 GLU H 1 71 GLU QB . . 3.770 2.155 2.006 2.384 . 0 0 "[ . 1 . 2]" 1
1115 1 71 GLU H 1 71 GLU HG2 . . 3.950 3.233 2.297 3.910 . 0 0 "[ . 1 . 2]" 1
1116 1 71 GLU H 1 71 GLU QG . . 3.760 2.828 2.240 3.416 . 0 0 "[ . 1 . 2]" 1
1117 1 71 GLU H 1 71 GLU HG3 . . 3.950 3.358 2.447 3.871 . 0 0 "[ . 1 . 2]" 1
1118 1 71 GLU H 1 73 ILE H . . 5.500 4.414 4.072 4.591 . 0 0 "[ . 1 . 2]" 1
1119 1 71 GLU H 1 75 ALA MB . . 6.530 5.271 4.934 5.348 . 0 0 "[ . 1 . 2]" 1
1120 1 71 GLU H 1 83 MET ME . . 6.530 5.188 4.948 5.323 . 0 0 "[ . 1 . 2]" 1
1121 1 71 GLU HA 1 71 GLU HG2 . . 3.920 2.424 1.974 3.799 . 0 0 "[ . 1 . 2]" 1
1122 1 71 GLU HA 1 71 GLU QG . . 3.740 2.283 1.958 3.285 . 0 0 "[ . 1 . 2]" 1
1123 1 71 GLU HA 1 71 GLU HG3 . . 3.920 3.283 2.448 3.700 . 0 0 "[ . 1 . 2]" 1
1124 1 72 GLN H 1 72 GLN HB2 . . 3.640 2.742 2.460 3.740 0.100 14 0 "[ . 1 . 2]" 1
1125 1 72 GLN H 1 72 GLN QB . . 3.330 2.397 2.283 2.904 . 0 0 "[ . 1 . 2]" 1
1126 1 72 GLN H 1 72 GLN HB3 . . 3.640 2.874 2.405 3.656 0.016 1 0 "[ . 1 . 2]" 1
1127 1 72 GLN H 1 72 GLN QG . . 4.450 3.462 1.926 4.035 . 0 0 "[ . 1 . 2]" 1
1128 1 72 GLN H 1 73 ILE H . . 3.330 2.222 2.042 2.338 . 0 0 "[ . 1 . 2]" 1
1129 1 72 GLN HA 1 75 ALA H . . 3.950 3.649 3.440 3.866 . 0 0 "[ . 1 . 2]" 1
1130 1 72 GLN HA 1 75 ALA MB . . 4.390 2.155 1.933 2.449 . 0 0 "[ . 1 . 2]" 1
1131 1 72 GLN QB 1 73 ILE H . . 3.900 2.555 2.353 3.383 . 0 0 "[ . 1 . 2]" 1
1132 1 72 GLN HB2 1 73 ILE H . . 4.630 3.446 2.384 4.017 . 0 0 "[ . 1 . 2]" 1
1133 1 72 GLN HB3 1 73 ILE H . . 4.630 2.954 2.475 3.894 . 0 0 "[ . 1 . 2]" 1
1134 1 72 GLN QG 1 73 ILE H . . 6.380 3.666 1.864 4.004 . 0 0 "[ . 1 . 2]" 1
1135 1 72 GLN QG 1 74 THR H . . 6.380 5.652 4.683 5.792 . 0 0 "[ . 1 . 2]" 1
1136 1 73 ILE H 1 73 ILE HB . . 2.740 2.440 2.301 2.522 . 0 0 "[ . 1 . 2]" 1
1137 1 73 ILE H 1 73 ILE MD . . 5.600 3.056 2.534 3.616 . 0 0 "[ . 1 . 2]" 1
1138 1 73 ILE H 1 74 THR H . . 3.730 2.698 2.575 3.258 . 0 0 "[ . 1 . 2]" 1
1139 1 73 ILE H 1 74 THR MG . . 5.600 3.948 3.680 4.536 . 0 0 "[ . 1 . 2]" 1
1140 1 73 ILE H 1 75 ALA H . . 4.540 3.495 3.397 3.625 . 0 0 "[ . 1 . 2]" 1
1141 1 73 ILE HA 1 76 PHE H . . 4.720 4.369 4.151 4.543 . 0 0 "[ . 1 . 2]" 1
1142 1 73 ILE HA 1 76 PHE QD . . 6.380 4.608 4.277 5.570 . 0 0 "[ . 1 . 2]" 1
1143 1 73 ILE HA 1 76 PHE QE . . 7.620 6.360 6.100 6.975 . 0 0 "[ . 1 . 2]" 1
1144 1 73 ILE HB 1 74 THR H . . 3.240 2.361 2.061 2.542 . 0 0 "[ . 1 . 2]" 1
1145 1 73 ILE HB 1 75 ALA H . . 5.310 4.453 4.106 4.554 . 0 0 "[ . 1 . 2]" 1
1146 1 73 ILE HB 1 83 MET ME . . 6.530 4.638 3.962 5.420 . 0 0 "[ . 1 . 2]" 1
1147 1 73 ILE QG 1 74 THR H . . 6.380 4.004 3.826 4.192 . 0 0 "[ . 1 . 2]" 1
1148 1 73 ILE QG 1 75 ALA H . . 6.380 4.985 4.890 5.199 . 0 0 "[ . 1 . 2]" 1
1149 1 73 ILE MG 1 74 THR HA . . 5.440 3.584 3.190 3.820 . 0 0 "[ . 1 . 2]" 1
1150 1 73 ILE MG 1 74 THR MG . . 7.560 3.430 2.413 5.105 . 0 0 "[ . 1 . 2]" 1
1151 1 73 ILE MG 1 80 VAL QG . . 6.820 2.595 2.222 2.955 . 0 0 "[ . 1 . 2]" 1
1152 1 74 THR H 1 74 THR MG . . 4.510 2.118 1.843 2.964 . 0 0 "[ . 1 . 2]" 1
1153 1 74 THR H 1 75 ALA H . . 3.580 2.643 2.557 2.754 . 0 0 "[ . 1 . 2]" 1
1154 1 74 THR H 1 76 PHE H . . 5.250 4.432 4.367 4.522 . 0 0 "[ . 1 . 2]" 1
1155 1 74 THR H 1 80 VAL QG . . 8.090 3.870 3.344 4.306 . 0 0 "[ . 1 . 2]" 1
1156 1 74 THR HA 1 74 THR HB . . 2.870 2.487 2.371 2.761 . 0 0 "[ . 1 . 2]" 1
1157 1 74 THR HA 1 76 PHE H . . 4.260 3.232 3.051 3.434 . 0 0 "[ . 1 . 2]" 1
1158 1 74 THR HA 1 80 VAL HB . . 3.730 2.825 2.363 3.228 . 0 0 "[ . 1 . 2]" 1
1159 1 74 THR HA 1 80 VAL MG1 . . 5.070 2.564 2.101 2.948 . 0 0 "[ . 1 . 2]" 1
1160 1 74 THR HA 1 80 VAL QG . . 4.510 2.233 1.800 2.655 . 0 0 "[ . 1 . 2]" 1
1161 1 74 THR HA 1 80 VAL MG2 . . 5.070 2.493 1.956 3.198 . 0 0 "[ . 1 . 2]" 1
1162 1 74 THR HB 1 80 VAL QG . . 8.090 3.076 2.252 3.660 . 0 0 "[ . 1 . 2]" 1
1163 1 74 THR HB 1 83 MET ME . . 6.530 5.046 4.248 5.421 . 0 0 "[ . 1 . 2]" 1
1164 1 74 THR MG 1 80 VAL MG1 . . 6.470 3.178 2.359 3.977 . 0 0 "[ . 1 . 2]" 1
1165 1 74 THR MG 1 80 VAL QG . . 6.200 3.017 2.303 3.699 . 0 0 "[ . 1 . 2]" 1
1166 1 74 THR MG 1 80 VAL MG2 . . 6.470 3.783 3.077 4.429 . 0 0 "[ . 1 . 2]" 1
1167 1 74 THR MG 1 83 MET HB2 . . 5.940 2.696 1.837 4.817 . 0 0 "[ . 1 . 2]" 1
1168 1 74 THR MG 1 83 MET QB . . 5.520 2.259 1.680 3.877 . 0 0 "[ . 1 . 2]" 1
1169 1 74 THR MG 1 83 MET HB3 . . 5.940 2.440 1.872 4.114 . 0 0 "[ . 1 . 2]" 1
1170 1 75 ALA H 1 76 PHE H . . 3.520 2.728 2.528 2.906 . 0 0 "[ . 1 . 2]" 1
1171 1 75 ALA H 1 76 PHE QD . . 7.620 5.237 4.695 5.719 . 0 0 "[ . 1 . 2]" 1
1172 1 75 ALA HA 1 77 GLU QG . . 6.380 5.021 4.200 5.555 . 0 0 "[ . 1 . 2]" 1
1173 1 75 ALA MB 1 77 GLU H . . 6.530 4.973 4.628 5.233 . 0 0 "[ . 1 . 2]" 1
1174 1 75 ALA MB 1 80 VAL QG . . 8.680 5.009 4.662 5.259 . 0 0 "[ . 1 . 2]" 1
1175 1 76 PHE H 1 76 PHE HB2 . . 3.240 2.026 1.948 2.154 . 0 0 "[ . 1 . 2]" 1
1176 1 76 PHE H 1 76 PHE HB3 . . 3.240 3.228 3.177 3.268 0.028 12 0 "[ . 1 . 2]" 1
1177 1 76 PHE H 1 77 GLU H . . 4.140 4.000 3.762 4.198 0.058 13 0 "[ . 1 . 2]" 1
1178 1 76 PHE H 1 80 VAL HB . . 4.450 4.108 3.863 4.437 . 0 0 "[ . 1 . 2]" 1
1179 1 76 PHE H 1 80 VAL MG1 . . 6.530 4.907 4.686 5.139 . 0 0 "[ . 1 . 2]" 1
1180 1 76 PHE H 1 80 VAL QG . . 6.010 3.352 2.947 3.649 . 0 0 "[ . 1 . 2]" 1
1181 1 76 PHE H 1 80 VAL MG2 . . 6.530 3.417 2.974 3.753 . 0 0 "[ . 1 . 2]" 1
1182 1 76 PHE HA 1 77 GLU H . . 2.620 2.341 2.256 2.497 . 0 0 "[ . 1 . 2]" 1
1183 1 76 PHE HA 1 78 ASP H . . 4.450 3.044 2.974 3.131 . 0 0 "[ . 1 . 2]" 1
1184 1 76 PHE QB 1 79 TYR QB . . 7.190 2.038 1.960 2.233 . 0 0 "[ . 1 . 2]" 1
1185 1 76 PHE QB 1 79 TYR QD . . 7.590 2.690 1.981 3.422 . 0 0 "[ . 1 . 2]" 1
1186 1 76 PHE QB 1 80 VAL QG . . 6.340 2.688 2.411 2.940 . 0 0 "[ . 1 . 2]" 1
1187 1 76 PHE HB2 1 77 GLU H . . 5.220 4.689 4.629 4.707 . 0 0 "[ . 1 . 2]" 1
1188 1 76 PHE HB2 1 80 VAL MG1 . . 8.130 5.331 5.095 5.591 . 0 0 "[ . 1 . 2]" 1
1189 1 76 PHE HB2 1 80 VAL MG2 . . 8.130 3.006 2.644 3.270 . 0 0 "[ . 1 . 2]" 1
1190 1 76 PHE HB3 1 77 GLU H . . 5.220 4.216 4.104 4.330 . 0 0 "[ . 1 . 2]" 1
1191 1 76 PHE HB3 1 80 VAL MG1 . . 8.130 5.391 5.086 5.684 . 0 0 "[ . 1 . 2]" 1
1192 1 76 PHE HB3 1 80 VAL MG2 . . 8.130 3.076 2.738 3.483 . 0 0 "[ . 1 . 2]" 1
1193 1 76 PHE QD 1 77 GLU H . . 7.620 4.040 3.731 4.757 . 0 0 "[ . 1 . 2]" 1
1194 1 76 PHE QD 1 80 VAL QG . . 10.210 4.299 4.012 4.586 . 0 0 "[ . 1 . 2]" 1
1195 1 77 GLU H 1 77 GLU HB2 . . 3.300 2.351 2.043 3.465 0.165 15 0 "[ . 1 . 2]" 1
1196 1 77 GLU H 1 77 GLU QB . . 3.090 2.214 2.022 2.934 . 0 0 "[ . 1 . 2]" 1
1197 1 77 GLU H 1 77 GLU HB3 . . 3.300 3.163 2.928 3.370 0.070 19 0 "[ . 1 . 2]" 1
1198 1 77 GLU H 1 77 GLU QG . . 4.800 3.108 1.713 3.691 . 0 0 "[ . 1 . 2]" 1
1199 1 77 GLU H 1 78 ASP H . . 3.670 2.548 2.381 2.690 . 0 0 "[ . 1 . 2]" 1
1200 1 77 GLU HA 1 79 TYR H . . 5.340 3.225 3.149 3.285 . 0 0 "[ . 1 . 2]" 1
1201 1 77 GLU HA 1 80 VAL H . . 4.630 3.241 3.088 3.356 . 0 0 "[ . 1 . 2]" 1
1202 1 77 GLU HA 1 80 VAL QG . . 7.750 3.850 3.701 3.989 . 0 0 "[ . 1 . 2]" 1
1203 1 77 GLU QB 1 78 ASP H . . 4.210 3.475 3.342 3.798 . 0 0 "[ . 1 . 2]" 1
1204 1 77 GLU HB2 1 78 ASP H . . 4.600 3.877 3.669 4.054 . 0 0 "[ . 1 . 2]" 1
1205 1 77 GLU HB3 1 78 ASP H . . 4.600 3.958 3.672 4.587 . 0 0 "[ . 1 . 2]" 1
1206 1 78 ASP H 1 78 ASP HB2 . . 3.550 2.371 2.063 3.529 . 0 0 "[ . 1 . 2]" 1
1207 1 78 ASP H 1 78 ASP QB . . 3.270 2.244 2.042 2.899 . 0 0 "[ . 1 . 2]" 1
1208 1 78 ASP H 1 78 ASP HB3 . . 3.550 3.052 2.608 3.483 . 0 0 "[ . 1 . 2]" 1
1209 1 78 ASP H 1 79 TYR H . . 3.730 2.575 2.475 2.677 . 0 0 "[ . 1 . 2]" 1
1210 1 78 ASP HA 1 79 TYR H . . 3.210 3.173 3.088 3.245 0.035 4 0 "[ . 1 . 2]" 1
1211 1 78 ASP QB 1 79 TYR QD . . 8.520 2.619 2.104 3.534 . 0 0 "[ . 1 . 2]" 1
1212 1 79 TYR H 1 79 TYR HB2 . . 3.670 2.641 2.598 2.707 . 0 0 "[ . 1 . 2]" 1
1213 1 79 TYR H 1 79 TYR QB . . 3.420 2.589 2.550 2.652 . 0 0 "[ . 1 . 2]" 1
1214 1 79 TYR H 1 79 TYR HB3 . . 3.670 3.728 3.670 3.795 0.125 15 0 "[ . 1 . 2]" 1
1215 1 79 TYR H 1 80 VAL H . . 3.140 1.883 1.833 1.917 . 0 0 "[ . 1 . 2]" 1
1216 1 79 TYR H 1 80 VAL HB . . 3.980 3.950 3.850 4.015 0.035 10 0 "[ . 1 . 2]" 1
1217 1 79 TYR QB 1 80 VAL H . . 3.790 2.419 2.347 2.482 . 0 0 "[ . 1 . 2]" 1
1218 1 79 TYR QB 1 80 VAL QG . . 6.830 2.846 2.643 2.979 . 0 0 "[ . 1 . 2]" 1
1219 1 79 TYR HB2 1 80 VAL H . . 4.070 2.480 2.388 2.572 . 0 0 "[ . 1 . 2]" 1
1220 1 79 TYR HB3 1 80 VAL H . . 4.070 3.386 3.202 3.568 . 0 0 "[ . 1 . 2]" 1
1221 1 80 VAL H 1 80 VAL HB . . 2.710 2.305 2.214 2.409 . 0 0 "[ . 1 . 2]" 1
1222 1 80 VAL HA 1 81 GLN H . . 2.680 2.198 2.187 2.213 . 0 0 "[ . 1 . 2]" 1
1223 1 80 VAL HA 1 82 SER H . . 3.860 3.837 3.657 3.877 0.017 8 0 "[ . 1 . 2]" 1
1224 1 80 VAL QG 1 81 GLN H . . 4.890 2.558 2.412 2.687 . 0 0 "[ . 1 . 2]" 1
1225 1 80 VAL QG 1 82 SER H . . 6.200 2.210 2.048 2.363 . 0 0 "[ . 1 . 2]" 1
1226 1 80 VAL QG 1 82 SER HA . . 7.070 3.011 2.846 3.120 . 0 0 "[ . 1 . 2]" 1
1227 1 80 VAL QG 1 83 MET H . . 8.090 2.929 2.627 3.410 . 0 0 "[ . 1 . 2]" 1
1228 1 80 VAL QG 1 83 MET QB . . 7.520 2.554 2.377 2.975 . 0 0 "[ . 1 . 2]" 1
1229 1 80 VAL MG1 1 81 GLN H . . 5.320 2.590 2.434 2.738 . 0 0 "[ . 1 . 2]" 1
1230 1 80 VAL MG1 1 83 MET HB2 . . 9.430 2.652 2.457 3.140 . 0 0 "[ . 1 . 2]" 1
1231 1 80 VAL MG1 1 83 MET HB3 . . 9.430 3.622 3.304 4.082 . 0 0 "[ . 1 . 2]" 1
1232 1 80 VAL MG2 1 81 GLN H . . 5.320 3.992 3.892 4.148 . 0 0 "[ . 1 . 2]" 1
1233 1 80 VAL MG2 1 83 MET HB2 . . 9.430 4.052 3.755 4.434 . 0 0 "[ . 1 . 2]" 1
1234 1 80 VAL MG2 1 83 MET HB3 . . 9.430 5.306 4.987 5.826 . 0 0 "[ . 1 . 2]" 1
1235 1 81 GLN H 1 81 GLN HB2 . . 3.450 2.581 2.482 2.661 . 0 0 "[ . 1 . 2]" 1
1236 1 81 GLN H 1 81 GLN QB . . 3.200 2.267 2.254 2.277 . 0 0 "[ . 1 . 2]" 1
1237 1 81 GLN H 1 81 GLN HB3 . . 3.450 2.517 2.434 2.613 . 0 0 "[ . 1 . 2]" 1
1238 1 81 GLN H 1 81 GLN HG2 . . 4.510 4.383 4.349 4.407 . 0 0 "[ . 1 . 2]" 1
1239 1 81 GLN H 1 81 GLN QG . . 4.310 3.973 3.963 3.985 . 0 0 "[ . 1 . 2]" 1
1240 1 81 GLN H 1 81 GLN HG3 . . 4.510 4.546 4.507 4.593 0.083 8 0 "[ . 1 . 2]" 1
1241 1 81 GLN H 1 82 SER H . . 3.210 2.325 2.282 2.358 . 0 0 "[ . 1 . 2]" 1
1242 1 81 GLN HA 1 81 GLN HG2 . . 3.580 2.622 2.377 2.792 . 0 0 "[ . 1 . 2]" 1
1243 1 81 GLN HA 1 81 GLN QG . . 3.360 2.412 2.293 2.482 . 0 0 "[ . 1 . 2]" 1
1244 1 81 GLN HA 1 81 GLN HG3 . . 3.580 2.850 2.690 3.014 . 0 0 "[ . 1 . 2]" 1
1245 1 81 GLN QB 1 82 SER H . . 3.750 2.762 2.678 2.919 . 0 0 "[ . 1 . 2]" 1
1246 1 81 GLN HB2 1 82 SER H . . 4.110 3.956 3.855 4.067 . 0 0 "[ . 1 . 2]" 1
1247 1 81 GLN HB3 1 82 SER H . . 4.110 2.819 2.722 2.992 . 0 0 "[ . 1 . 2]" 1
1248 1 81 GLN QG 1 82 SER H . . 5.010 4.045 3.867 4.235 . 0 0 "[ . 1 . 2]" 1
1249 1 81 GLN HG2 1 82 SER H . . 5.500 4.221 4.011 4.454 . 0 0 "[ . 1 . 2]" 1
1250 1 81 GLN HG2 1 82 SER QB . . 6.380 3.599 3.114 4.153 . 0 0 "[ . 1 . 2]" 1
1251 1 81 GLN HG3 1 82 SER H . . 5.500 5.188 5.060 5.303 . 0 0 "[ . 1 . 2]" 1
1252 1 81 GLN HG3 1 82 SER QB . . 6.380 5.108 4.740 5.345 . 0 0 "[ . 1 . 2]" 1
1253 1 82 SER H 1 83 MET H . . 4.720 3.698 3.444 4.027 . 0 0 "[ . 1 . 2]" 1
1254 1 82 SER HA 1 83 MET H . . 2.560 2.222 2.216 2.251 . 0 0 "[ . 1 . 2]" 1
1255 1 82 SER QB 1 83 MET H . . 4.050 3.496 3.221 3.624 . 0 0 "[ . 1 . 2]" 1
1256 1 83 MET H 1 83 MET HB2 . . 3.360 2.757 2.420 3.017 . 0 0 "[ . 1 . 2]" 1
1257 1 83 MET H 1 83 MET HB3 . . 3.360 2.271 2.171 2.507 . 0 0 "[ . 1 . 2]" 1
1258 1 83 MET H 1 83 MET ME . . 6.530 5.228 4.418 5.488 . 0 0 "[ . 1 . 2]" 1
1259 1 83 MET H 1 83 MET HG2 . . 5.500 4.331 4.132 4.453 . 0 0 "[ . 1 . 2]" 1
1260 1 83 MET H 1 83 MET HG3 . . 5.500 4.582 4.424 4.737 . 0 0 "[ . 1 . 2]" 1
1261 1 83 MET HA 1 83 MET HB2 . . 3.050 2.444 2.398 2.569 . 0 0 "[ . 1 . 2]" 1
1262 1 83 MET HA 1 83 MET HB3 . . 3.050 3.058 3.045 3.070 0.020 18 0 "[ . 1 . 2]" 1
1263 1 83 MET HA 1 83 MET HG2 . . 3.980 2.844 2.497 3.351 . 0 0 "[ . 1 . 2]" 1
1264 1 83 MET HA 1 83 MET QG . . 3.760 2.560 2.445 2.664 . 0 0 "[ . 1 . 2]" 1
1265 1 83 MET HA 1 83 MET HG3 . . 3.980 3.263 2.619 3.703 . 0 0 "[ . 1 . 2]" 1
1266 1 83 MET HA 1 84 ASP H . . 2.520 2.379 2.350 2.435 . 0 0 "[ . 1 . 2]" 1
1267 1 83 MET QB 1 84 ASP H . . 3.810 3.517 3.424 3.568 . 0 0 "[ . 1 . 2]" 1
1268 1 83 MET HB2 1 84 ASP H . . 4.010 3.907 3.737 4.117 0.107 18 0 "[ . 1 . 2]" 1
1269 1 83 MET HB3 1 84 ASP H . . 4.010 3.999 3.817 4.085 0.075 5 0 "[ . 1 . 2]" 1
1270 1 83 MET ME 1 84 ASP H . . 5.880 3.924 3.357 4.263 . 0 0 "[ . 1 . 2]" 1
1271 1 83 MET ME 1 85 VAL H . . 6.250 5.022 4.735 5.122 . 0 0 "[ . 1 . 2]" 1
1272 1 83 MET QG 1 84 ASP H . . 4.910 1.992 1.910 2.155 . 0 0 "[ . 1 . 2]" 1
1273 1 83 MET HG2 1 84 ASP H . . 5.500 2.107 1.917 2.432 . 0 0 "[ . 1 . 2]" 1
1274 1 83 MET HG3 1 84 ASP H . . 5.500 3.114 2.056 3.664 . 0 0 "[ . 1 . 2]" 1
1275 1 84 ASP H 1 84 ASP HB2 . . 3.610 2.751 2.641 3.477 . 0 0 "[ . 1 . 2]" 1
1276 1 84 ASP H 1 84 ASP QB . . 3.420 2.676 2.586 3.200 . 0 0 "[ . 1 . 2]" 1
1277 1 84 ASP H 1 84 ASP HB3 . . 3.610 3.702 3.671 3.745 0.135 10 0 "[ . 1 . 2]" 1
1278 1 84 ASP H 1 85 VAL QG . . 7.590 4.890 4.215 5.328 . 0 0 "[ . 1 . 2]" 1
1279 1 84 ASP HA 1 84 ASP HB2 . . 3.050 3.005 2.826 3.029 . 0 0 "[ . 1 . 2]" 1
1280 1 84 ASP HA 1 84 ASP HB3 . . 3.050 2.681 2.267 2.738 . 0 0 "[ . 1 . 2]" 1
1281 1 84 ASP HA 1 85 VAL H . . 2.990 2.765 2.414 2.802 . 0 0 "[ . 1 . 2]" 1
1282 1 84 ASP QB 1 85 VAL H . . 3.100 1.947 1.884 2.788 . 0 0 "[ . 1 . 2]" 1
1283 1 84 ASP QB 1 86 ALA MB . . 7.400 4.935 4.661 5.178 . 0 0 "[ . 1 . 2]" 1
1284 1 84 ASP HB2 1 85 VAL H . . 3.330 3.404 2.965 3.455 0.125 5 0 "[ . 1 . 2]" 1
1285 1 84 ASP HB3 1 85 VAL H . . 3.330 1.987 1.892 3.389 0.059 14 0 "[ . 1 . 2]" 1
1286 1 85 VAL H 1 85 VAL HB . . 2.800 2.579 2.311 2.798 . 0 0 "[ . 1 . 2]" 1
1287 1 85 VAL H 1 86 ALA H . . 4.630 4.462 4.295 4.544 . 0 0 "[ . 1 . 2]" 1
1288 1 85 VAL HA 1 86 ALA H . . 2.710 2.235 2.190 2.332 . 0 0 "[ . 1 . 2]" 1
1289 1 85 VAL HA 1 86 ALA MB . . 5.910 3.855 3.790 3.940 . 0 0 "[ . 1 . 2]" 1
1290 1 85 VAL HA 1 87 ALA H . . 3.860 3.692 3.517 3.850 . 0 0 "[ . 1 . 2]" 1
1291 1 85 VAL HB 1 86 ALA H . . 4.970 4.266 4.086 4.444 . 0 0 "[ . 1 . 2]" 1
1292 1 85 VAL QG 1 86 ALA H . . 6.600 2.428 1.965 2.781 . 0 0 "[ . 1 . 2]" 1
1293 1 85 VAL QG 1 86 ALA MB . . 8.650 3.738 3.512 3.847 . 0 0 "[ . 1 . 2]" 1
1294 1 85 VAL QG 1 87 ALA H . . 6.480 2.062 1.890 2.388 . 0 0 "[ . 1 . 2]" 1
1295 1 85 VAL QG 1 87 ALA MB . . 8.530 3.865 3.755 3.979 . 0 0 "[ . 1 . 2]" 1
1296 1 85 VAL QG 1 88 PHE H . . 7.620 4.087 3.536 4.414 . 0 0 "[ . 1 . 2]" 1
1297 1 85 VAL QG 1 88 PHE HA . . 7.130 3.996 3.571 4.417 . 0 0 "[ . 1 . 2]" 1
1298 1 85 VAL QG 1 88 PHE QB . . 7.510 2.993 2.308 3.497 . 0 0 "[ . 1 . 2]" 1
1299 1 86 ALA H 1 87 ALA H . . 3.170 2.124 1.897 2.282 . 0 0 "[ . 1 . 2]" 1
1300 1 86 ALA HA 1 87 ALA H . . 3.450 3.520 3.472 3.577 0.127 15 0 "[ . 1 . 2]" 1
1301 1 87 ALA HA 1 88 PHE H . . 2.770 2.497 2.296 2.689 . 0 0 "[ . 1 . 2]" 1
1302 1 88 PHE H 1 88 PHE HB2 . . 3.980 2.719 2.539 2.943 . 0 0 "[ . 1 . 2]" 1
1303 1 88 PHE H 1 88 PHE QB . . 3.730 2.585 2.419 2.682 . 0 0 "[ . 1 . 2]" 1
1304 1 88 PHE H 1 88 PHE HB3 . . 3.980 3.253 2.955 3.421 . 0 0 "[ . 1 . 2]" 1
1305 1 88 PHE HA 1 88 PHE HB2 . . 2.930 2.869 2.750 2.951 0.021 16 0 "[ . 1 . 2]" 1
1306 1 88 PHE HA 1 88 PHE HB3 . . 2.930 2.954 2.878 3.032 0.102 18 0 "[ . 1 . 2]" 1
1307 1 88 PHE HA 1 89 ASN H . . 2.620 2.279 2.201 2.345 . 0 0 "[ . 1 . 2]" 1
1308 1 88 PHE HB2 1 89 ASN H . . 5.500 4.726 4.678 4.739 . 0 0 "[ . 1 . 2]" 1
1309 1 88 PHE HB3 1 89 ASN H . . 5.500 4.225 3.970 4.378 . 0 0 "[ . 1 . 2]" 1
1310 1 89 ASN H 1 89 ASN HB2 . . 3.860 3.019 2.587 3.900 0.040 13 0 "[ . 1 . 2]" 1
1311 1 89 ASN H 1 89 ASN QB . . 3.550 2.780 2.542 3.218 . 0 0 "[ . 1 . 2]" 1
1312 1 89 ASN H 1 89 ASN HB3 . . 3.860 3.551 2.737 3.853 . 0 0 "[ . 1 . 2]" 1
1313 1 89 ASN HA 1 89 ASN HB2 . . 3.050 2.870 2.473 3.060 0.010 15 0 "[ . 1 . 2]" 1
1314 1 89 ASN HA 1 89 ASN HB3 . . 3.050 2.690 2.426 3.063 0.013 3 0 "[ . 1 . 2]" 1
1315 1 89 ASN HA 1 90 LYS H . . 2.710 2.674 2.542 2.778 0.068 9 0 "[ . 1 . 2]" 1
1316 1 89 ASN QB 1 90 LYS H . . 3.710 2.262 1.931 3.319 . 0 0 "[ . 1 . 2]" 1
1317 1 89 ASN HB2 1 90 LYS H . . 3.920 3.328 1.957 3.853 . 0 0 "[ . 1 . 2]" 1
1318 1 89 ASN HB3 1 90 LYS H . . 3.920 2.589 1.942 3.735 . 0 0 "[ . 1 . 2]" 1
1319 1 90 LYS H 1 90 LYS HB2 . . 3.360 2.920 2.093 3.521 0.161 15 0 "[ . 1 . 2]" 1
1320 1 90 LYS H 1 90 LYS QB . . 3.170 2.484 2.074 2.971 . 0 0 "[ . 1 . 2]" 1
1321 1 90 LYS H 1 90 LYS HB3 . . 3.360 2.889 2.238 3.423 0.063 14 0 "[ . 1 . 2]" 1
1322 1 90 LYS HA 1 91 ILE H . . 2.620 2.344 2.166 2.509 . 0 0 "[ . 1 . 2]" 1
1323 1 90 LYS QB 1 91 ILE H . . 3.600 2.916 2.344 3.327 . 0 0 "[ . 1 . 2]" 1
1324 1 90 LYS HB2 1 91 ILE H . . 3.830 3.427 2.609 3.854 0.024 14 0 "[ . 1 . 2]" 1
1325 1 90 LYS HB3 1 91 ILE H . . 3.830 3.439 2.367 3.858 0.028 16 0 "[ . 1 . 2]" 1
1326 1 90 LYS QG 1 91 ILE H . . 6.380 3.162 1.550 4.417 . 0 0 "[ . 1 . 2]" 1
1327 1 91 ILE H 1 91 ILE HB . . 3.170 2.941 2.637 3.251 0.081 11 0 "[ . 1 . 2]" 1
1328 1 91 ILE H 1 91 ILE HG12 . . 4.510 4.043 1.790 4.569 0.059 13 0 "[ . 1 . 2]" 1
1329 1 91 ILE H 1 91 ILE HG13 . . 4.510 3.840 1.982 4.478 . 0 0 "[ . 1 . 2]" 1
1330 1 91 ILE HA 1 91 ILE HB . . 3.020 2.622 2.406 3.043 0.023 6 0 "[ . 1 . 2]" 1
1331 1 91 ILE HA 1 91 ILE MD . . 4.480 3.234 2.533 3.900 . 0 0 "[ . 1 . 2]" 1
1332 1 91 ILE HA 1 91 ILE QG . . 3.650 2.485 2.172 3.016 . 0 0 "[ . 1 . 2]" 1
1333 1 91 ILE HG12 1 91 ILE MG . . 3.610 2.135 1.883 2.608 . 0 0 "[ . 1 . 2]" 1
1334 1 91 ILE HG13 1 91 ILE MG . . 3.610 3.002 2.721 3.197 . 0 0 "[ . 1 . 2]" 1
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