NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
407098 |
1xyx   |
5197 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xyx
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 2098
_Distance_constraint_stats_list.Viol_count 4730
_Distance_constraint_stats_list.Viol_total 7636.521
_Distance_constraint_stats_list.Viol_max 0.953
_Distance_constraint_stats_list.Viol_rms 0.0375
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.0807
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 VAL 1.322 0.090 5 0 "[ . 1 . 2]"
1 2 VAL 3.152 0.096 10 0 "[ . 1 . 2]"
1 3 GLY 3.355 0.093 13 0 "[ . 1 . 2]"
1 4 GLY 2.397 0.093 13 0 "[ . 1 . 2]"
1 5 LEU 5.882 0.122 5 0 "[ . 1 . 2]"
1 6 GLY 1.513 0.108 1 0 "[ . 1 . 2]"
1 7 GLY 0.545 0.074 17 0 "[ . 1 . 2]"
1 8 TYR 8.853 0.111 10 0 "[ . 1 . 2]"
1 9 MET 2.598 0.104 18 0 "[ . 1 . 2]"
1 10 LEU 5.000 0.098 9 0 "[ . 1 . 2]"
1 11 GLY 1.339 0.092 20 0 "[ . 1 . 2]"
1 12 SER 6.831 0.189 4 0 "[ . 1 . 2]"
1 13 ALA 9.823 0.175 7 0 "[ . 1 . 2]"
1 14 MET 7.381 0.175 7 0 "[ . 1 . 2]"
1 15 SER 2.117 0.192 18 0 "[ . 1 . 2]"
1 16 ARG 2.293 0.192 18 0 "[ . 1 . 2]"
1 17 PRO 4.344 0.122 6 0 "[ . 1 . 2]"
1 18 MET 5.553 0.950 10 2 "[ . + - 2]"
1 19 ILE 13.364 0.950 10 2 "[ . + - 2]"
1 20 HIS 5.995 0.421 7 0 "[ . 1 . 2]"
1 21 PHE 16.226 0.478 12 0 "[ . 1 . 2]"
1 22 GLY 1.262 0.082 16 0 "[ . 1 . 2]"
1 23 ASN 15.300 0.929 11 8 "[ ** * *+ -** 2]"
1 24 ASP 3.677 0.102 10 0 "[ . 1 . 2]"
1 25 TRP 5.624 0.645 8 2 "[ . +-1 . 2]"
1 26 GLU 8.946 0.929 11 8 "[ ** * *+ -** 2]"
1 27 ASP 1.814 0.285 16 0 "[ . 1 . 2]"
1 28 ARG 5.757 0.403 5 0 "[ . 1 . 2]"
1 29 TYR 7.463 0.645 8 2 "[ . +-1 . 2]"
1 30 TYR 4.169 0.109 14 0 "[ . 1 . 2]"
1 31 ARG 5.231 0.199 1 0 "[ . 1 . 2]"
1 32 GLU 5.177 0.092 13 0 "[ . 1 . 2]"
1 33 ASN 3.318 0.092 13 0 "[ . 1 . 2]"
1 34 MET 2.734 0.355 18 0 "[ . 1 . 2]"
1 35 TYR 4.501 0.504 18 1 "[ . 1 . + 2]"
1 36 ARG 4.153 0.504 18 1 "[ . 1 . + 2]"
1 37 TYR 6.258 0.276 2 0 "[ . 1 . 2]"
1 38 PRO 2.213 0.103 17 0 "[ . 1 . 2]"
1 39 ASN 2.963 0.091 5 0 "[ . 1 . 2]"
1 40 GLN 11.461 0.115 15 0 "[ . 1 . 2]"
1 41 VAL 5.883 0.105 9 0 "[ . 1 . 2]"
1 42 TYR 12.600 0.563 18 2 "[ . 1 .- + 2]"
1 43 TYR 9.293 0.563 18 2 "[ . 1 .- + 2]"
1 44 ARG 4.272 0.878 18 4 "[ .* 1 - +*2]"
1 45 PRO 1.157 0.094 17 0 "[ . 1 . 2]"
1 46 VAL 1.268 0.105 3 0 "[ . 1 . 2]"
1 48 GLN 0.098 0.098 15 0 "[ . 1 . 2]"
1 49 TYR 4.999 0.953 17 2 "[ . 1 - + 2]"
1 51 ASN 8.304 0.685 3 5 "[ *+*. - 1 . *]"
1 52 GLN 16.335 0.953 17 9 "[ ***. ** 1 ** + *]"
1 53 ASN 12.761 0.642 20 6 "[ -**. * 1 . * +]"
1 54 ASN 8.300 0.396 13 0 "[ . 1 . 2]"
1 55 PHE 3.924 0.878 18 3 "[ .* 1 - + 2]"
1 56 VAL 5.523 0.922 14 4 "[ * . * 1 +. - 2]"
1 57 HIS 3.981 0.208 6 0 "[ . 1 . 2]"
1 58 ASP 1.914 0.088 16 0 "[ . 1 . 2]"
1 59 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 VAL 4.333 0.572 6 1 "[ .+ 1 . 2]"
1 61 ASN 9.973 0.123 15 0 "[ . 1 . 2]"
1 62 ILE 10.251 0.123 15 0 "[ . 1 . 2]"
1 63 THR 5.917 0.456 10 0 "[ . 1 . 2]"
1 64 ILE 10.154 0.572 6 1 "[ .+ 1 . 2]"
1 65 LYS 7.739 0.128 3 0 "[ . 1 . 2]"
1 66 GLN 12.188 0.121 13 0 "[ . 1 . 2]"
1 67 HIS 4.988 0.111 11 0 "[ . 1 . 2]"
1 68 THR 6.548 0.121 3 0 "[ . 1 . 2]"
1 69 VAL 17.276 0.156 18 0 "[ . 1 . 2]"
1 70 THR 4.214 0.129 7 0 "[ . 1 . 2]"
1 71 THR 11.541 0.140 8 0 "[ . 1 . 2]"
1 72 THR 11.681 0.127 5 0 "[ . 1 . 2]"
1 73 THR 9.817 0.156 18 0 "[ . 1 . 2]"
1 74 LYS 10.773 0.129 18 0 "[ . 1 . 2]"
1 75 GLY 4.811 0.100 10 0 "[ . 1 . 2]"
1 76 GLU 10.627 0.110 5 0 "[ . 1 . 2]"
1 77 ASN 12.669 0.110 6 0 "[ . 1 . 2]"
1 78 PHE 13.781 0.169 17 0 "[ . 1 . 2]"
1 79 THR 7.988 0.119 12 0 "[ . 1 . 2]"
1 80 GLU 9.114 0.295 4 0 "[ . 1 . 2]"
1 81 THR 9.032 0.134 18 0 "[ . 1 . 2]"
1 82 ASP 4.924 0.448 17 0 "[ . 1 . 2]"
1 83 VAL 17.778 0.785 9 5 "[ * . *+1 .*- 2]"
1 84 LYS 6.480 0.127 20 0 "[ . 1 . 2]"
1 85 MET 11.618 0.448 17 0 "[ . 1 . 2]"
1 86 MET 12.349 0.785 9 5 "[ * . *+1 .*- 2]"
1 87 GLU 4.390 0.183 20 0 "[ . 1 . 2]"
1 88 ARG 17.760 0.796 10 9 "[ * *+-* *.** *]"
1 89 VAL 3.153 0.101 14 0 "[ . 1 . 2]"
1 90 VAL 2.240 0.149 7 0 "[ . 1 . 2]"
1 91 GLU 2.208 0.166 3 0 "[ . 1 . 2]"
1 92 GLN 4.541 0.102 4 0 "[ . 1 . 2]"
1 93 MET 5.395 0.142 1 0 "[ . 1 . 2]"
1 94 CYS 1.762 0.125 11 0 "[ . 1 . 2]"
1 95 VAL 5.850 0.274 10 0 "[ . 1 . 2]"
1 96 THR 5.870 0.132 1 0 "[ . 1 . 2]"
1 97 GLN 4.119 0.179 12 0 "[ . 1 . 2]"
1 98 TYR 8.360 0.274 10 0 "[ . 1 . 2]"
1 99 GLN 3.076 0.211 19 0 "[ . 1 . 2]"
1 100 LYS 8.110 0.297 19 0 "[ . 1 . 2]"
1 101 GLU 4.606 0.599 8 1 "[ . + 1 . 2]"
1 102 SER 3.264 0.206 7 0 "[ . 1 . 2]"
1 103 GLN 5.269 0.296 6 0 "[ . 1 . 2]"
1 104 ALA 1.737 0.101 19 0 "[ . 1 . 2]"
1 105 TYR 1.824 0.206 7 0 "[ . 1 . 2]"
1 106 TYR 6.084 0.136 17 0 "[ . 1 . 2]"
1 107 ASP 3.767 0.403 9 0 "[ . 1 . 2]"
1 108 GLY 2.738 0.136 17 0 "[ . 1 . 2]"
1 109 ARG 7.791 0.513 9 1 "[ . +1 . 2]"
1 110 ARG 12.084 0.806 9 1 "[ . +1 . 2]"
1 111 SER 5.778 0.660 9 1 "[ . +1 . 2]"
1 112 SER 1.698 0.128 9 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 1 VAL H1 1 1 VAL HB . . 3.050 2.553 2.263 3.137 0.087 3 0 "[ . 1 . 2]" 1
2 1 1 VAL H1 1 1 VAL QG . . 3.280 2.158 1.712 3.035 . 0 0 "[ . 1 . 2]" 1
3 1 1 VAL HA 1 1 VAL HB . . 2.960 2.806 2.367 3.031 0.071 7 0 "[ . 1 . 2]" 1
4 1 1 VAL HA 1 1 VAL QG . . 2.900 2.190 2.063 2.389 . 0 0 "[ . 1 . 2]" 1
5 1 1 VAL HA 1 2 VAL H . . 2.570 2.312 2.095 2.635 0.065 1 0 "[ . 1 . 2]" 1
6 1 1 VAL HA 1 3 GLY H . . 4.620 4.339 3.721 4.710 0.090 5 0 "[ . 1 . 2]" 1
7 1 1 VAL QG 1 6 GLY QA . . 5.500 3.330 2.098 5.183 . 0 0 "[ . 1 . 2]" 1
8 1 1 VAL QG 1 7 GLY QA . . 4.140 2.652 2.014 3.571 . 0 0 "[ . 1 . 2]" 1
9 1 2 VAL H 1 2 VAL QG . . 3.140 2.493 2.086 2.677 . 0 0 "[ . 1 . 2]" 1
10 1 2 VAL H 1 3 GLY H . . 3.290 2.931 2.679 3.363 0.073 20 0 "[ . 1 . 2]" 1
11 1 2 VAL H 1 3 GLY QA . . 5.110 4.700 3.982 4.914 . 0 0 "[ . 1 . 2]" 1
12 1 2 VAL HA 1 2 VAL QG . . 2.770 2.225 2.090 2.371 . 0 0 "[ . 1 . 2]" 1
13 1 2 VAL HA 1 3 GLY H . . 2.590 2.549 2.291 2.673 0.083 4 0 "[ . 1 . 2]" 1
14 1 2 VAL HA 1 4 GLY H . . 4.650 4.326 3.320 4.735 0.085 18 0 "[ . 1 . 2]" 1
15 1 2 VAL HB 1 3 GLY H . . 4.340 4.404 4.350 4.419 0.079 8 0 "[ . 1 . 2]" 1
16 1 2 VAL HB 1 5 LEU H . . 5.260 3.855 3.002 5.235 . 0 0 "[ . 1 . 2]" 1
17 1 2 VAL HB 1 5 LEU HB2 . . 4.740 2.946 2.043 3.817 . 0 0 "[ . 1 . 2]" 1
18 1 2 VAL HB 1 5 LEU HB3 . . 4.810 4.278 3.028 4.906 0.096 10 0 "[ . 1 . 2]" 1
19 1 2 VAL HB 1 5 LEU QD . . 4.770 3.168 2.702 3.967 . 0 0 "[ . 1 . 2]" 1
20 1 2 VAL QG 1 3 GLY QA . . 4.020 3.842 3.813 3.856 . 0 0 "[ . 1 . 2]" 1
21 1 2 VAL QG 1 4 GLY H . . 4.550 3.275 2.572 4.201 . 0 0 "[ . 1 . 2]" 1
22 1 2 VAL QG 1 5 LEU H . . 4.700 2.863 1.707 3.887 . 0 0 "[ . 1 . 2]" 1
23 1 2 VAL QG 1 5 LEU HB2 . . 4.710 2.263 1.773 2.937 . 0 0 "[ . 1 . 2]" 1
24 1 2 VAL QG 1 5 LEU HB3 . . 4.780 3.284 2.548 3.904 . 0 0 "[ . 1 . 2]" 1
25 1 2 VAL QG 1 5 LEU QD . . 3.350 2.237 1.961 2.914 . 0 0 "[ . 1 . 2]" 1
26 1 2 VAL QG 1 5 LEU HG . . 5.070 2.919 2.473 3.818 . 0 0 "[ . 1 . 2]" 1
27 1 2 VAL QG 1 6 GLY H . . 5.500 4.036 2.537 5.099 . 0 0 "[ . 1 . 2]" 1
28 1 2 VAL QG 1 7 GLY H . . 5.500 3.972 2.619 4.865 . 0 0 "[ . 1 . 2]" 1
29 1 2 VAL QG 1 42 TYR QE . . 4.140 2.533 1.932 3.686 . 0 0 "[ . 1 . 2]" 1
30 1 3 GLY H 1 3 GLY QA . . 2.710 2.277 2.184 2.356 . 0 0 "[ . 1 . 2]" 1
31 1 3 GLY H 1 4 GLY H . . 3.470 3.296 2.771 3.563 0.093 13 0 "[ . 1 . 2]" 1
32 1 3 GLY H 1 5 LEU H . . 5.050 4.734 4.295 5.136 0.086 10 0 "[ . 1 . 2]" 1
33 1 4 GLY H 1 4 GLY QA . . 2.460 2.435 2.199 2.542 0.082 13 0 "[ . 1 . 2]" 1
34 1 4 GLY H 1 5 LEU H . . 3.140 2.335 1.738 2.959 . 0 0 "[ . 1 . 2]" 1
35 1 4 GLY H 1 5 LEU HA . . 5.500 4.588 4.083 5.514 0.014 20 0 "[ . 1 . 2]" 1
36 1 4 GLY H 1 5 LEU HB2 . . 5.050 3.912 3.267 5.040 . 0 0 "[ . 1 . 2]" 1
37 1 4 GLY QA 1 5 LEU H . . 2.840 2.699 2.284 2.931 0.091 15 0 "[ . 1 . 2]" 1
38 1 4 GLY QA 1 5 LEU QD . . 5.500 3.897 3.253 4.535 . 0 0 "[ . 1 . 2]" 1
39 1 5 LEU H 1 5 LEU HB2 . . 2.870 2.277 1.986 2.486 . 0 0 "[ . 1 . 2]" 1
40 1 5 LEU H 1 5 LEU HB3 . . 3.440 3.389 3.092 3.529 0.089 12 0 "[ . 1 . 2]" 1
41 1 5 LEU H 1 5 LEU QD . . 4.590 3.026 2.523 3.523 . 0 0 "[ . 1 . 2]" 1
42 1 5 LEU H 1 6 GLY H . . 3.280 2.246 1.909 2.596 . 0 0 "[ . 1 . 2]" 1
43 1 5 LEU H 1 7 GLY H . . 4.390 4.098 3.047 4.464 0.074 17 0 "[ . 1 . 2]" 1
44 1 5 LEU H 1 7 GLY QA . . 5.270 4.981 4.426 5.140 . 0 0 "[ . 1 . 2]" 1
45 1 5 LEU H 1 8 TYR H . . 5.500 4.861 4.287 5.143 . 0 0 "[ . 1 . 2]" 1
46 1 5 LEU H 1 8 TYR QD . . 5.500 5.036 4.686 5.227 . 0 0 "[ . 1 . 2]" 1
47 1 5 LEU HA 1 5 LEU HB3 . . 3.020 2.717 2.336 2.936 . 0 0 "[ . 1 . 2]" 1
48 1 5 LEU HA 1 5 LEU QD . . 3.100 2.016 1.892 2.434 . 0 0 "[ . 1 . 2]" 1
49 1 5 LEU HA 1 5 LEU HG . . 3.810 3.535 2.302 3.754 . 0 0 "[ . 1 . 2]" 1
50 1 5 LEU HA 1 6 GLY QA . . 5.030 4.311 4.206 4.377 . 0 0 "[ . 1 . 2]" 1
51 1 5 LEU HA 1 7 GLY H . . 4.860 4.398 4.057 4.914 0.054 17 0 "[ . 1 . 2]" 1
52 1 5 LEU HA 1 8 TYR HB2 . . 5.330 5.020 4.655 5.292 . 0 0 "[ . 1 . 2]" 1
53 1 5 LEU HA 1 8 TYR QD . . 3.730 3.770 3.367 3.837 0.107 9 0 "[ . 1 . 2]" 1
54 1 5 LEU HA 1 8 TYR QE . . 4.480 4.151 3.660 4.563 0.083 19 0 "[ . 1 . 2]" 1
55 1 5 LEU HB2 1 6 GLY H . . 4.080 3.400 2.755 3.702 . 0 0 "[ . 1 . 2]" 1
56 1 5 LEU HB2 1 7 GLY H . . 5.240 3.468 2.533 4.274 . 0 0 "[ . 1 . 2]" 1
57 1 5 LEU HB2 1 8 TYR H . . 5.040 3.200 2.291 3.890 . 0 0 "[ . 1 . 2]" 1
58 1 5 LEU HB2 1 8 TYR HB2 . . 4.650 3.435 2.518 3.752 . 0 0 "[ . 1 . 2]" 1
59 1 5 LEU HB2 1 8 TYR HB3 . . 5.340 5.145 4.220 5.419 0.079 16 0 "[ . 1 . 2]" 1
60 1 5 LEU HB2 1 8 TYR QD . . 4.860 3.582 2.691 3.895 . 0 0 "[ . 1 . 2]" 1
61 1 5 LEU HB2 1 42 TYR QE . . 5.500 4.492 3.854 5.159 . 0 0 "[ . 1 . 2]" 1
62 1 5 LEU HB3 1 5 LEU QD . . 3.230 2.401 2.033 2.630 . 0 0 "[ . 1 . 2]" 1
63 1 5 LEU HB3 1 6 GLY H . . 4.070 3.678 3.022 4.141 0.071 9 0 "[ . 1 . 2]" 1
64 1 5 LEU HB3 1 7 GLY H . . 5.500 2.898 2.373 3.838 . 0 0 "[ . 1 . 2]" 1
65 1 5 LEU HB3 1 8 TYR H . . 4.660 2.477 2.007 3.464 . 0 0 "[ . 1 . 2]" 1
66 1 5 LEU HB3 1 8 TYR HB3 . . 4.560 4.206 3.864 4.431 . 0 0 "[ . 1 . 2]" 1
67 1 5 LEU HB3 1 8 TYR QD . . 4.320 2.099 1.987 2.211 . 0 0 "[ . 1 . 2]" 1
68 1 5 LEU HB3 1 42 TYR QD . . 5.410 4.821 4.357 5.399 . 0 0 "[ . 1 . 2]" 1
69 1 5 LEU HB3 1 42 TYR QE . . 5.500 5.023 4.409 5.544 0.044 20 0 "[ . 1 . 2]" 1
70 1 5 LEU QD 1 6 GLY H . . 5.010 4.147 3.974 4.329 . 0 0 "[ . 1 . 2]" 1
71 1 5 LEU QD 1 7 GLY H . . 5.500 4.274 3.995 4.617 . 0 0 "[ . 1 . 2]" 1
72 1 5 LEU QD 1 8 TYR HB2 . . 4.510 2.722 2.111 3.497 . 0 0 "[ . 1 . 2]" 1
73 1 5 LEU QD 1 8 TYR HB3 . . 5.120 3.616 2.832 4.461 . 0 0 "[ . 1 . 2]" 1
74 1 5 LEU QD 1 8 TYR QD . . 4.520 2.795 2.142 3.634 . 0 0 "[ . 1 . 2]" 1
75 1 5 LEU QD 1 8 TYR QE . . 5.020 3.278 2.791 4.280 . 0 0 "[ . 1 . 2]" 1
76 1 5 LEU QD 1 42 TYR QD . . 4.710 3.193 2.573 3.772 . 0 0 "[ . 1 . 2]" 1
77 1 5 LEU QD 1 42 TYR QE . . 4.300 2.847 2.109 3.770 . 0 0 "[ . 1 . 2]" 1
78 1 5 LEU QD 1 62 ILE MG . . 3.960 2.123 1.877 2.578 . 0 0 "[ . 1 . 2]" 1
79 1 5 LEU QD 1 66 GLN HA . . 5.180 4.561 4.255 4.855 . 0 0 "[ . 1 . 2]" 1
80 1 5 LEU QD 1 66 GLN HE21 . . 5.500 2.921 1.708 4.075 . 0 0 "[ . 1 . 2]" 1
81 1 5 LEU QD 1 66 GLN HE22 . . 5.500 2.914 2.091 4.615 . 0 0 "[ . 1 . 2]" 1
82 1 5 LEU QD 1 66 GLN HG3 . . 5.210 3.069 2.056 3.892 . 0 0 "[ . 1 . 2]" 1
83 1 5 LEU HG 1 8 TYR HB2 . . 5.080 2.924 2.183 4.942 . 0 0 "[ . 1 . 2]" 1
84 1 5 LEU HG 1 8 TYR QD . . 4.700 3.794 2.705 4.800 0.100 15 0 "[ . 1 . 2]" 1
85 1 5 LEU HG 1 42 TYR QE . . 4.170 3.592 2.466 4.292 0.122 5 0 "[ . 1 . 2]" 1
86 1 6 GLY H 1 7 GLY H . . 3.850 2.877 1.819 3.601 . 0 0 "[ . 1 . 2]" 1
87 1 6 GLY H 1 8 TYR H . . 5.330 4.534 3.878 5.248 . 0 0 "[ . 1 . 2]" 1
88 1 6 GLY H 1 8 TYR QD . . 4.980 4.530 3.807 5.041 0.061 3 0 "[ . 1 . 2]" 1
89 1 6 GLY H 1 8 TYR QE . . 5.500 5.489 4.974 5.608 0.108 1 0 "[ . 1 . 2]" 1
90 1 6 GLY QA 1 7 GLY H . . 3.180 2.711 2.082 2.959 . 0 0 "[ . 1 . 2]" 1
91 1 6 GLY QA 1 8 TYR QE . . 4.750 4.090 2.806 4.657 . 0 0 "[ . 1 . 2]" 1
92 1 7 GLY H 1 8 TYR H . . 3.310 2.275 1.821 2.837 . 0 0 "[ . 1 . 2]" 1
93 1 7 GLY H 1 8 TYR HB2 . . 5.180 4.152 3.799 4.541 . 0 0 "[ . 1 . 2]" 1
94 1 7 GLY H 1 8 TYR QD . . 4.700 2.768 2.386 3.615 . 0 0 "[ . 1 . 2]" 1
95 1 7 GLY QA 1 8 TYR H . . 3.620 2.642 2.392 2.978 . 0 0 "[ . 1 . 2]" 1
96 1 7 GLY QA 1 8 TYR QD . . 4.680 4.263 4.025 4.437 . 0 0 "[ . 1 . 2]" 1
97 1 8 TYR H 1 8 TYR HB2 . . 3.270 2.251 2.022 2.450 . 0 0 "[ . 1 . 2]" 1
98 1 8 TYR H 1 8 TYR QD . . 3.350 2.407 1.892 2.831 . 0 0 "[ . 1 . 2]" 1
99 1 8 TYR H 1 8 TYR QE . . 4.900 4.639 4.122 4.974 0.074 2 0 "[ . 1 . 2]" 1
100 1 8 TYR H 1 9 MET H . . 4.790 4.521 4.355 4.636 . 0 0 "[ . 1 . 2]" 1
101 1 8 TYR H 1 42 TYR QE . . 5.500 5.260 4.524 5.590 0.090 13 0 "[ . 1 . 2]" 1
102 1 8 TYR H 1 62 ILE MG . . 5.500 5.505 5.143 5.605 0.105 19 0 "[ . 1 . 2]" 1
103 1 8 TYR HA 1 8 TYR QD . . 3.780 3.067 2.940 3.194 . 0 0 "[ . 1 . 2]" 1
104 1 8 TYR HA 1 8 TYR QE . . 5.220 4.626 4.429 4.851 . 0 0 "[ . 1 . 2]" 1
105 1 8 TYR HA 1 9 MET H . . 3.220 2.237 2.101 2.654 . 0 0 "[ . 1 . 2]" 1
106 1 8 TYR HA 1 44 ARG HA . . 4.720 3.836 3.179 4.275 . 0 0 "[ . 1 . 2]" 1
107 1 8 TYR HA 1 45 PRO HD3 . . 5.500 5.179 4.241 5.563 0.063 15 0 "[ . 1 . 2]" 1
108 1 8 TYR HB2 1 9 MET H . . 4.400 4.133 3.475 4.424 0.024 15 0 "[ . 1 . 2]" 1
109 1 8 TYR HB2 1 43 TYR H . . 4.910 4.671 4.162 4.977 0.067 18 0 "[ . 1 . 2]" 1
110 1 8 TYR HB3 1 9 MET H . . 4.090 3.026 2.077 3.582 . 0 0 "[ . 1 . 2]" 1
111 1 8 TYR HB3 1 42 TYR QD . . 4.790 2.583 2.279 2.972 . 0 0 "[ . 1 . 2]" 1
112 1 8 TYR HB3 1 42 TYR QE . . 4.600 4.592 4.075 4.693 0.093 4 0 "[ . 1 . 2]" 1
113 1 8 TYR HB3 1 43 TYR H . . 4.480 3.013 2.580 3.401 . 0 0 "[ . 1 . 2]" 1
114 1 8 TYR HB3 1 62 ILE MG . . 4.550 3.957 3.554 4.450 . 0 0 "[ . 1 . 2]" 1
115 1 8 TYR QD 1 9 MET H . . 4.640 3.967 3.430 4.655 0.015 9 0 "[ . 1 . 2]" 1
116 1 8 TYR QD 1 43 TYR H . . 4.590 3.416 2.894 3.961 . 0 0 "[ . 1 . 2]" 1
117 1 8 TYR QD 1 43 TYR HA . . 4.130 3.057 2.467 3.655 . 0 0 "[ . 1 . 2]" 1
118 1 8 TYR QD 1 44 ARG H . . 5.500 4.811 3.969 5.570 0.070 4 0 "[ . 1 . 2]" 1
119 1 8 TYR QD 1 62 ILE HB . . 4.640 4.375 3.782 4.721 0.081 17 0 "[ . 1 . 2]" 1
120 1 8 TYR QD 1 62 ILE MD . . 4.770 4.714 4.348 4.881 0.111 10 0 "[ . 1 . 2]" 1
121 1 8 TYR QD 1 62 ILE MG . . 4.160 3.115 2.722 3.470 . 0 0 "[ . 1 . 2]" 1
122 1 8 TYR QE 1 43 TYR HA . . 4.680 4.157 3.106 4.753 0.073 15 0 "[ . 1 . 2]" 1
123 1 8 TYR QE 1 62 ILE HB . . 4.610 3.687 2.796 4.303 . 0 0 "[ . 1 . 2]" 1
124 1 8 TYR QE 1 62 ILE MD . . 4.090 3.616 3.289 3.906 . 0 0 "[ . 1 . 2]" 1
125 1 8 TYR QE 1 62 ILE QG . . 3.960 2.660 2.192 3.096 . 0 0 "[ . 1 . 2]" 1
126 1 8 TYR QE 1 62 ILE MG . . 3.900 3.077 2.799 3.427 . 0 0 "[ . 1 . 2]" 1
127 1 9 MET H 1 9 MET HB2 . . 3.860 2.423 2.151 2.678 . 0 0 "[ . 1 . 2]" 1
128 1 9 MET H 1 9 MET ME . . 5.500 4.707 1.985 5.594 0.094 16 0 "[ . 1 . 2]" 1
129 1 9 MET H 1 9 MET QG . . 4.080 3.215 2.029 4.055 . 0 0 "[ . 1 . 2]" 1
130 1 9 MET H 1 10 LEU H . . 5.050 4.461 4.034 4.672 . 0 0 "[ . 1 . 2]" 1
131 1 9 MET H 1 42 TYR HA . . 5.220 4.781 4.023 5.200 . 0 0 "[ . 1 . 2]" 1
132 1 9 MET H 1 42 TYR QD . . 5.500 4.538 3.850 4.847 . 0 0 "[ . 1 . 2]" 1
133 1 9 MET H 1 43 TYR H . . 3.850 3.130 2.697 3.496 . 0 0 "[ . 1 . 2]" 1
134 1 9 MET H 1 43 TYR HA . . 5.500 4.768 4.500 5.069 . 0 0 "[ . 1 . 2]" 1
135 1 9 MET H 1 44 ARG HA . . 4.760 3.029 2.603 3.532 . 0 0 "[ . 1 . 2]" 1
136 1 9 MET H 1 45 PRO HD3 . . 5.500 4.126 3.574 4.506 . 0 0 "[ . 1 . 2]" 1
137 1 9 MET HA 1 9 MET QG . . 3.220 2.651 2.267 3.032 . 0 0 "[ . 1 . 2]" 1
138 1 9 MET HA 1 10 LEU H . . 2.880 2.260 2.087 2.416 . 0 0 "[ . 1 . 2]" 1
139 1 9 MET HA 1 42 TYR QD . . 5.260 4.877 4.489 5.184 . 0 0 "[ . 1 . 2]" 1
140 1 9 MET HB2 1 9 MET ME . . 3.730 3.104 2.153 3.797 0.067 16 0 "[ . 1 . 2]" 1
141 1 9 MET HB2 1 43 TYR H . . 4.650 3.741 2.800 4.693 0.043 3 0 "[ . 1 . 2]" 1
142 1 9 MET HB2 1 43 TYR QE . . 4.580 3.957 2.989 4.647 0.067 4 0 "[ . 1 . 2]" 1
143 1 9 MET HB3 1 9 MET ME . . 4.600 3.079 2.122 4.213 . 0 0 "[ . 1 . 2]" 1
144 1 9 MET HB3 1 43 TYR H . . 5.240 3.806 2.856 4.794 . 0 0 "[ . 1 . 2]" 1
145 1 9 MET HB3 1 43 TYR QE . . 4.230 3.529 3.014 4.269 0.039 20 0 "[ . 1 . 2]" 1
146 1 9 MET ME 1 9 MET QG . . 3.580 2.303 2.166 2.440 . 0 0 "[ . 1 . 2]" 1
147 1 9 MET ME 1 10 LEU H . . 5.500 4.883 3.890 5.567 0.067 1 0 "[ . 1 . 2]" 1
148 1 9 MET ME 1 43 TYR QD . . 5.070 4.415 3.291 5.171 0.101 19 0 "[ . 1 . 2]" 1
149 1 9 MET ME 1 43 TYR QE . . 4.080 3.374 2.088 4.184 0.104 18 0 "[ . 1 . 2]" 1
150 1 9 MET ME 1 45 PRO HA . . 3.850 3.250 2.172 3.944 0.094 17 0 "[ . 1 . 2]" 1
151 1 9 MET ME 1 45 PRO HD2 . . 5.360 4.703 3.398 5.437 0.077 14 0 "[ . 1 . 2]" 1
152 1 9 MET ME 1 45 PRO HD3 . . 4.570 3.333 1.980 4.253 . 0 0 "[ . 1 . 2]" 1
153 1 9 MET QG 1 10 LEU H . . 4.470 3.813 2.563 4.560 0.090 11 0 "[ . 1 . 2]" 1
154 1 9 MET QG 1 43 TYR H . . 5.500 4.571 4.173 5.354 . 0 0 "[ . 1 . 2]" 1
155 1 9 MET QG 1 43 TYR QD . . 4.610 3.867 3.023 4.696 0.086 20 0 "[ . 1 . 2]" 1
156 1 9 MET QG 1 43 TYR QE . . 4.600 3.416 2.283 4.569 . 0 0 "[ . 1 . 2]" 1
157 1 9 MET QG 1 44 ARG HA . . 5.420 3.691 2.338 5.492 0.072 13 0 "[ . 1 . 2]" 1
158 1 9 MET QG 1 45 PRO HB3 . . 4.510 3.688 2.500 4.572 0.062 19 0 "[ . 1 . 2]" 1
159 1 9 MET QG 1 45 PRO HD3 . . 4.650 3.087 2.029 4.725 0.075 9 0 "[ . 1 . 2]" 1
160 1 10 LEU H 1 10 LEU HB2 . . 3.280 3.073 2.763 3.344 0.064 11 0 "[ . 1 . 2]" 1
161 1 10 LEU H 1 10 LEU HB3 . . 3.090 2.514 2.329 2.664 . 0 0 "[ . 1 . 2]" 1
162 1 10 LEU H 1 10 LEU MD1 . . 5.040 4.404 4.326 4.499 . 0 0 "[ . 1 . 2]" 1
163 1 10 LEU H 1 10 LEU MD2 . . 4.640 4.405 4.198 4.531 . 0 0 "[ . 1 . 2]" 1
164 1 10 LEU H 1 10 LEU HG . . 4.710 4.361 4.233 4.444 . 0 0 "[ . 1 . 2]" 1
165 1 10 LEU H 1 11 GLY H . . 5.140 4.146 2.354 4.526 . 0 0 "[ . 1 . 2]" 1
166 1 10 LEU H 1 42 TYR HA . . 5.290 4.704 4.496 4.911 . 0 0 "[ . 1 . 2]" 1
167 1 10 LEU H 1 42 TYR QD . . 5.500 4.264 3.783 4.861 . 0 0 "[ . 1 . 2]" 1
168 1 10 LEU H 1 42 TYR QE . . 5.460 4.790 3.925 5.427 . 0 0 "[ . 1 . 2]" 1
169 1 10 LEU HA 1 10 LEU MD1 . . 3.300 2.274 2.130 2.377 . 0 0 "[ . 1 . 2]" 1
170 1 10 LEU HA 1 10 LEU MD2 . . 3.980 3.881 3.815 3.932 . 0 0 "[ . 1 . 2]" 1
171 1 10 LEU HA 1 11 GLY H . . 3.240 2.237 2.080 3.067 . 0 0 "[ . 1 . 2]" 1
172 1 10 LEU HA 1 42 TYR HA . . 3.590 2.386 2.161 2.539 . 0 0 "[ . 1 . 2]" 1
173 1 10 LEU HA 1 42 TYR QD . . 4.460 3.070 2.514 3.531 . 0 0 "[ . 1 . 2]" 1
174 1 10 LEU HA 1 42 TYR QE . . 4.340 4.070 3.781 4.407 0.067 17 0 "[ . 1 . 2]" 1
175 1 10 LEU HA 1 43 TYR H . . 4.210 3.776 3.570 3.978 . 0 0 "[ . 1 . 2]" 1
176 1 10 LEU HA 1 43 TYR QE . . 4.440 3.914 3.396 4.410 . 0 0 "[ . 1 . 2]" 1
177 1 10 LEU HB2 1 10 LEU MD1 . . 3.640 2.434 2.318 2.543 . 0 0 "[ . 1 . 2]" 1
178 1 10 LEU HB2 1 11 GLY H . . 4.920 4.239 4.060 4.595 . 0 0 "[ . 1 . 2]" 1
179 1 10 LEU HB2 1 42 TYR HA . . 4.950 4.020 3.752 4.297 . 0 0 "[ . 1 . 2]" 1
180 1 10 LEU HB2 1 42 TYR QD . . 4.380 2.821 2.591 3.146 . 0 0 "[ . 1 . 2]" 1
181 1 10 LEU HB2 1 42 TYR QE . . 3.300 2.272 2.119 2.482 . 0 0 "[ . 1 . 2]" 1
182 1 10 LEU HB3 1 10 LEU MD2 . . 3.300 2.302 2.240 2.362 . 0 0 "[ . 1 . 2]" 1
183 1 10 LEU HB3 1 11 GLY H . . 5.120 4.268 4.035 4.461 . 0 0 "[ . 1 . 2]" 1
184 1 10 LEU HB3 1 42 TYR QD . . 4.570 4.342 4.167 4.520 . 0 0 "[ . 1 . 2]" 1
185 1 10 LEU HB3 1 42 TYR QE . . 3.670 3.756 3.740 3.768 0.098 9 0 "[ . 1 . 2]" 1
186 1 10 LEU MD1 1 11 GLY H . . 4.310 2.524 2.085 4.402 0.092 20 0 "[ . 1 . 2]" 1
187 1 10 LEU MD1 1 40 GLN H . . 5.500 4.514 3.978 4.851 . 0 0 "[ . 1 . 2]" 1
188 1 10 LEU MD1 1 40 GLN HA . . 5.420 4.376 4.042 4.705 . 0 0 "[ . 1 . 2]" 1
189 1 10 LEU MD1 1 40 GLN HB2 . . 3.820 2.182 2.069 2.400 . 0 0 "[ . 1 . 2]" 1
190 1 10 LEU MD1 1 40 GLN HB3 . . 3.860 3.245 2.802 3.645 . 0 0 "[ . 1 . 2]" 1
191 1 10 LEU MD1 1 40 GLN HE21 . . 5.500 3.352 2.813 4.397 . 0 0 "[ . 1 . 2]" 1
192 1 10 LEU MD1 1 40 GLN HE22 . . 5.500 3.695 3.145 4.288 . 0 0 "[ . 1 . 2]" 1
193 1 10 LEU MD1 1 40 GLN HG2 . . 5.360 4.459 4.079 4.901 . 0 0 "[ . 1 . 2]" 1
194 1 10 LEU MD1 1 40 GLN HG3 . . 4.950 3.951 3.538 4.291 . 0 0 "[ . 1 . 2]" 1
195 1 10 LEU MD1 1 41 VAL H . . 5.400 3.019 2.501 3.340 . 0 0 "[ . 1 . 2]" 1
196 1 10 LEU MD1 1 41 VAL HA . . 5.500 3.538 3.274 3.845 . 0 0 "[ . 1 . 2]" 1
197 1 10 LEU MD1 1 42 TYR HA . . 4.540 3.256 2.613 3.468 . 0 0 "[ . 1 . 2]" 1
198 1 10 LEU MD1 1 42 TYR QD . . 4.670 3.123 2.918 3.246 . 0 0 "[ . 1 . 2]" 1
199 1 10 LEU MD1 1 42 TYR QE . . 3.880 2.893 2.566 3.124 . 0 0 "[ . 1 . 2]" 1
200 1 10 LEU MD2 1 11 GLY H . . 5.500 4.664 4.324 5.558 0.058 20 0 "[ . 1 . 2]" 1
201 1 10 LEU MD2 1 40 GLN HB2 . . 5.500 3.837 3.333 4.329 . 0 0 "[ . 1 . 2]" 1
202 1 10 LEU MD2 1 40 GLN HB3 . . 5.500 4.700 4.155 5.057 . 0 0 "[ . 1 . 2]" 1
203 1 10 LEU MD2 1 40 GLN HE21 . . 4.790 3.473 2.933 4.683 . 0 0 "[ . 1 . 2]" 1
204 1 10 LEU MD2 1 40 GLN HE22 . . 4.310 2.800 2.317 3.694 . 0 0 "[ . 1 . 2]" 1
205 1 10 LEU MD2 1 42 TYR HA . . 5.360 5.301 5.094 5.457 0.097 3 0 "[ . 1 . 2]" 1
206 1 10 LEU MD2 1 42 TYR QD . . 5.500 4.234 3.975 4.578 . 0 0 "[ . 1 . 2]" 1
207 1 10 LEU MD2 1 42 TYR QE . . 3.930 2.865 2.342 3.526 . 0 0 "[ . 1 . 2]" 1
208 1 10 LEU HG 1 11 GLY H . . 5.010 3.426 2.840 4.842 . 0 0 "[ . 1 . 2]" 1
209 1 10 LEU HG 1 12 SER H . . 5.500 5.531 5.417 5.580 0.080 11 0 "[ . 1 . 2]" 1
210 1 10 LEU HG 1 40 GLN HB3 . . 5.270 3.934 3.346 4.382 . 0 0 "[ . 1 . 2]" 1
211 1 10 LEU HG 1 40 GLN HE21 . . 4.570 2.839 2.136 4.644 0.074 4 0 "[ . 1 . 2]" 1
212 1 10 LEU HG 1 40 GLN HE22 . . 4.460 3.147 2.728 4.242 . 0 0 "[ . 1 . 2]" 1
213 1 10 LEU HG 1 40 GLN HG2 . . 5.500 5.233 4.460 5.569 0.069 19 0 "[ . 1 . 2]" 1
214 1 11 GLY H 1 12 SER H . . 4.640 4.497 3.860 4.619 . 0 0 "[ . 1 . 2]" 1
215 1 11 GLY H 1 40 GLN HB2 . . 5.500 4.133 3.541 5.577 0.077 9 0 "[ . 1 . 2]" 1
216 1 11 GLY H 1 40 GLN HB3 . . 5.500 4.048 3.371 5.290 . 0 0 "[ . 1 . 2]" 1
217 1 11 GLY H 1 41 VAL H . . 4.810 3.131 2.749 4.764 . 0 0 "[ . 1 . 2]" 1
218 1 11 GLY H 1 41 VAL MG2 . . 5.500 3.864 3.500 5.139 . 0 0 "[ . 1 . 2]" 1
219 1 11 GLY H 1 42 TYR HA . . 4.850 3.600 3.219 4.440 . 0 0 "[ . 1 . 2]" 1
220 1 11 GLY H 1 43 TYR QD . . 5.380 3.771 3.486 4.263 . 0 0 "[ . 1 . 2]" 1
221 1 11 GLY H 1 43 TYR QE . . 4.330 2.558 2.229 2.943 . 0 0 "[ . 1 . 2]" 1
222 1 11 GLY HA2 1 12 SER H . . 3.340 2.673 2.419 3.239 . 0 0 "[ . 1 . 2]" 1
223 1 11 GLY HA2 1 41 VAL H . . 4.830 4.823 4.510 4.917 0.087 4 0 "[ . 1 . 2]" 1
224 1 11 GLY HA2 1 41 VAL MG2 . . 5.500 4.872 4.527 5.248 . 0 0 "[ . 1 . 2]" 1
225 1 11 GLY HA2 1 43 TYR QE . . 3.650 2.821 2.444 3.245 . 0 0 "[ . 1 . 2]" 1
226 1 11 GLY HA3 1 12 SER H . . 2.970 2.484 2.085 2.696 . 0 0 "[ . 1 . 2]" 1
227 1 11 GLY HA3 1 40 GLN HB3 . . 5.190 3.680 3.051 4.111 . 0 0 "[ . 1 . 2]" 1
228 1 11 GLY HA3 1 41 VAL H . . 4.630 3.229 2.820 3.463 . 0 0 "[ . 1 . 2]" 1
229 1 11 GLY HA3 1 43 TYR QE . . 3.660 2.308 2.030 2.651 . 0 0 "[ . 1 . 2]" 1
230 1 12 SER H 1 12 SER HB2 . . 3.310 2.860 2.353 3.499 0.189 4 0 "[ . 1 . 2]" 1
231 1 12 SER H 1 13 ALA H . . 4.620 4.412 4.137 4.531 . 0 0 "[ . 1 . 2]" 1
232 1 12 SER H 1 13 ALA MB . . 5.500 5.577 5.266 5.625 0.125 10 0 "[ . 1 . 2]" 1
233 1 12 SER H 1 14 MET ME . . 5.500 4.860 3.566 5.581 0.081 16 0 "[ . 1 . 2]" 1
234 1 12 SER H 1 40 GLN HB2 . . 5.500 5.422 4.395 5.582 0.082 8 0 "[ . 1 . 2]" 1
235 1 12 SER H 1 40 GLN HB3 . . 5.500 3.908 2.846 4.243 . 0 0 "[ . 1 . 2]" 1
236 1 12 SER H 1 41 VAL H . . 5.500 4.848 3.499 5.324 . 0 0 "[ . 1 . 2]" 1
237 1 12 SER H 1 41 VAL MG2 . . 5.500 5.030 3.502 5.565 0.065 13 0 "[ . 1 . 2]" 1
238 1 12 SER H 1 43 TYR QE . . 4.650 4.536 4.157 4.736 0.086 2 0 "[ . 1 . 2]" 1
239 1 12 SER H 1 97 GLN QE . . 4.580 2.715 1.943 3.976 . 0 0 "[ . 1 . 2]" 1
240 1 12 SER HA 1 12 SER HB3 . . 3.020 2.543 2.250 3.060 0.040 1 0 "[ . 1 . 2]" 1
241 1 12 SER HA 1 13 ALA H . . 2.590 2.303 2.111 2.481 . 0 0 "[ . 1 . 2]" 1
242 1 12 SER HA 1 13 ALA MB . . 4.520 4.000 3.796 4.253 . 0 0 "[ . 1 . 2]" 1
243 1 12 SER HA 1 40 GLN HB3 . . 4.930 3.641 3.195 4.015 . 0 0 "[ . 1 . 2]" 1
244 1 12 SER HA 1 40 GLN HE21 . . 4.230 2.868 2.263 3.385 . 0 0 "[ . 1 . 2]" 1
245 1 12 SER HA 1 40 GLN HE22 . . 4.200 3.882 2.778 4.270 0.070 8 0 "[ . 1 . 2]" 1
246 1 12 SER HA 1 40 GLN HG2 . . 5.130 3.915 2.549 4.649 . 0 0 "[ . 1 . 2]" 1
247 1 12 SER HB2 1 13 ALA H . . 3.590 3.422 2.589 3.666 0.076 15 0 "[ . 1 . 2]" 1
248 1 12 SER HB2 1 13 ALA MB . . 4.850 4.582 3.480 4.950 0.100 18 0 "[ . 1 . 2]" 1
249 1 12 SER HB3 1 13 ALA H . . 3.550 3.057 2.436 3.653 0.103 19 0 "[ . 1 . 2]" 1
250 1 12 SER HB3 1 13 ALA MB . . 4.820 4.306 3.523 4.921 0.101 12 0 "[ . 1 . 2]" 1
251 1 13 ALA H 1 13 ALA MB . . 3.000 2.125 2.038 2.266 . 0 0 "[ . 1 . 2]" 1
252 1 13 ALA H 1 40 GLN HB2 . . 5.500 5.419 5.174 5.567 0.067 16 0 "[ . 1 . 2]" 1
253 1 13 ALA H 1 40 GLN HE21 . . 4.560 3.762 2.882 4.509 . 0 0 "[ . 1 . 2]" 1
254 1 13 ALA H 1 40 GLN HE22 . . 4.670 4.588 4.038 4.756 0.086 19 0 "[ . 1 . 2]" 1
255 1 13 ALA H 1 40 GLN HG2 . . 4.440 3.103 2.570 3.448 . 0 0 "[ . 1 . 2]" 1
256 1 13 ALA H 1 40 GLN HG3 . . 4.990 4.745 3.656 5.048 0.058 14 0 "[ . 1 . 2]" 1
257 1 13 ALA HA 1 14 MET H . . 2.890 2.275 2.160 2.459 . 0 0 "[ . 1 . 2]" 1
258 1 13 ALA HA 1 14 MET HG2 . . 5.180 4.829 4.036 5.355 0.175 7 0 "[ . 1 . 2]" 1
259 1 13 ALA HA 1 39 ASN QB . . 4.570 2.693 2.040 3.681 . 0 0 "[ . 1 . 2]" 1
260 1 13 ALA HA 1 39 ASN HD21 . . 5.500 4.189 3.283 5.402 . 0 0 "[ . 1 . 2]" 1
261 1 13 ALA HA 1 39 ASN HD22 . . 5.500 4.980 3.761 5.589 0.089 17 0 "[ . 1 . 2]" 1
262 1 13 ALA HA 1 40 GLN H . . 4.140 4.186 3.908 4.224 0.084 6 0 "[ . 1 . 2]" 1
263 1 13 ALA HA 1 40 GLN HB2 . . 4.620 4.597 4.334 4.707 0.087 17 0 "[ . 1 . 2]" 1
264 1 13 ALA HA 1 40 GLN HB3 . . 3.900 3.499 3.018 3.967 0.067 15 0 "[ . 1 . 2]" 1
265 1 13 ALA HA 1 40 GLN HG2 . . 3.460 2.187 1.978 2.534 . 0 0 "[ . 1 . 2]" 1
266 1 13 ALA HA 1 40 GLN HG3 . . 3.490 3.398 2.325 3.577 0.087 12 0 "[ . 1 . 2]" 1
267 1 13 ALA MB 1 14 MET H . . 3.770 2.915 2.284 3.530 . 0 0 "[ . 1 . 2]" 1
268 1 13 ALA MB 1 14 MET HA . . 4.490 4.137 3.649 4.537 0.047 17 0 "[ . 1 . 2]" 1
269 1 13 ALA MB 1 14 MET HG2 . . 5.500 5.214 4.639 5.613 0.113 16 0 "[ . 1 . 2]" 1
270 1 13 ALA MB 1 14 MET HG3 . . 5.500 4.865 4.227 5.567 0.067 12 0 "[ . 1 . 2]" 1
271 1 13 ALA MB 1 39 ASN H . . 5.360 4.947 4.134 5.410 0.050 11 0 "[ . 1 . 2]" 1
272 1 13 ALA MB 1 39 ASN HA . . 5.160 4.766 4.245 5.251 0.091 5 0 "[ . 1 . 2]" 1
273 1 13 ALA MB 1 39 ASN QB . . 5.100 2.587 2.122 3.345 . 0 0 "[ . 1 . 2]" 1
274 1 13 ALA MB 1 39 ASN HD21 . . 4.500 2.747 1.821 4.063 . 0 0 "[ . 1 . 2]" 1
275 1 13 ALA MB 1 39 ASN HD22 . . 4.280 3.493 2.493 4.357 0.077 2 0 "[ . 1 . 2]" 1
276 1 13 ALA MB 1 40 GLN H . . 5.500 4.986 4.725 5.254 . 0 0 "[ . 1 . 2]" 1
277 1 13 ALA MB 1 40 GLN HA . . 5.120 4.799 4.536 5.073 . 0 0 "[ . 1 . 2]" 1
278 1 13 ALA MB 1 40 GLN HB2 . . 5.500 5.226 4.719 5.558 0.058 18 0 "[ . 1 . 2]" 1
279 1 13 ALA MB 1 40 GLN HB3 . . 4.950 4.442 3.856 4.925 . 0 0 "[ . 1 . 2]" 1
280 1 13 ALA MB 1 40 GLN HE22 . . 5.500 4.786 3.888 5.221 . 0 0 "[ . 1 . 2]" 1
281 1 13 ALA MB 1 40 GLN HG2 . . 4.010 2.676 2.259 3.120 . 0 0 "[ . 1 . 2]" 1
282 1 13 ALA MB 1 40 GLN HG3 . . 3.960 3.702 2.996 4.043 0.083 18 0 "[ . 1 . 2]" 1
283 1 14 MET H 1 14 MET HB3 . . 3.790 3.679 3.131 3.860 0.070 11 0 "[ . 1 . 2]" 1
284 1 14 MET H 1 14 MET HG2 . . 4.380 3.690 2.210 4.408 0.028 16 0 "[ . 1 . 2]" 1
285 1 14 MET H 1 14 MET HG3 . . 3.980 3.019 2.393 3.529 . 0 0 "[ . 1 . 2]" 1
286 1 14 MET H 1 15 SER H . . 4.970 4.369 4.171 4.531 . 0 0 "[ . 1 . 2]" 1
287 1 14 MET H 1 15 SER HA . . 5.150 4.952 4.632 5.226 0.076 12 0 "[ . 1 . 2]" 1
288 1 14 MET H 1 39 ASN QB . . 4.240 2.925 1.858 4.094 . 0 0 "[ . 1 . 2]" 1
289 1 14 MET H 1 39 ASN HD21 . . 5.080 4.207 2.886 5.138 0.058 4 0 "[ . 1 . 2]" 1
290 1 14 MET H 1 39 ASN HD22 . . 5.500 4.449 2.094 5.574 0.074 17 0 "[ . 1 . 2]" 1
291 1 14 MET H 1 40 GLN HA . . 4.920 4.072 3.463 4.827 . 0 0 "[ . 1 . 2]" 1
292 1 14 MET H 1 40 GLN HG2 . . 4.720 4.317 4.018 4.625 . 0 0 "[ . 1 . 2]" 1
293 1 14 MET HA 1 14 MET ME . . 4.410 4.454 4.222 4.519 0.109 5 0 "[ . 1 . 2]" 1
294 1 14 MET HA 1 14 MET HG2 . . 4.040 2.638 2.148 3.810 . 0 0 "[ . 1 . 2]" 1
295 1 14 MET HA 1 14 MET HG3 . . 3.840 3.204 2.396 3.754 . 0 0 "[ . 1 . 2]" 1
296 1 14 MET HA 1 15 SER H . . 2.740 2.525 2.257 2.826 0.086 7 0 "[ . 1 . 2]" 1
297 1 14 MET HA 1 15 SER HA . . 5.070 4.501 4.339 4.604 . 0 0 "[ . 1 . 2]" 1
298 1 14 MET HA 1 15 SER HB2 . . 4.910 4.513 4.269 4.770 . 0 0 "[ . 1 . 2]" 1
299 1 14 MET HA 1 15 SER HB3 . . 4.930 4.863 4.561 5.003 0.073 17 0 "[ . 1 . 2]" 1
300 1 14 MET HB2 1 15 SER H . . 3.450 3.195 2.123 3.527 0.077 2 0 "[ . 1 . 2]" 1
301 1 14 MET HB2 1 15 SER HA . . 5.410 4.793 4.333 5.098 . 0 0 "[ . 1 . 2]" 1
302 1 14 MET HB3 1 15 SER H . . 3.430 2.395 1.780 3.515 0.085 6 0 "[ . 1 . 2]" 1
303 1 14 MET HB3 1 96 THR MG . . 5.380 4.925 4.161 5.464 0.084 9 0 "[ . 1 . 2]" 1
304 1 14 MET ME 1 14 MET HG2 . . 3.770 2.773 2.038 3.378 . 0 0 "[ . 1 . 2]" 1
305 1 14 MET ME 1 14 MET HG3 . . 3.570 2.688 2.296 3.423 . 0 0 "[ . 1 . 2]" 1
306 1 14 MET ME 1 15 SER H . . 5.500 4.939 4.315 5.571 0.071 14 0 "[ . 1 . 2]" 1
307 1 14 MET ME 1 40 GLN HA . . 3.900 3.950 3.668 4.015 0.115 15 0 "[ . 1 . 2]" 1
308 1 14 MET ME 1 41 VAL MG2 . . 3.940 2.876 2.176 3.647 . 0 0 "[ . 1 . 2]" 1
309 1 14 MET ME 1 93 MET HA . . 3.630 2.696 2.273 3.400 . 0 0 "[ . 1 . 2]" 1
310 1 14 MET ME 1 96 THR H . . 5.500 4.341 3.998 4.957 . 0 0 "[ . 1 . 2]" 1
311 1 14 MET ME 1 96 THR HB . . 3.290 2.831 2.345 3.365 0.075 13 0 "[ . 1 . 2]" 1
312 1 14 MET ME 1 96 THR MG . . 3.780 2.893 2.195 3.481 . 0 0 "[ . 1 . 2]" 1
313 1 14 MET ME 1 97 GLN H . . 4.570 2.883 2.431 3.395 . 0 0 "[ . 1 . 2]" 1
314 1 14 MET ME 1 97 GLN HA . . 3.620 3.492 2.792 3.714 0.094 5 0 "[ . 1 . 2]" 1
315 1 14 MET ME 1 97 GLN HB2 . . 3.430 2.523 1.971 3.536 0.106 1 0 "[ . 1 . 2]" 1
316 1 14 MET HG2 1 15 SER H . . 4.900 4.135 3.627 4.808 . 0 0 "[ . 1 . 2]" 1
317 1 14 MET HG3 1 97 GLN QE . . 5.190 3.456 2.153 5.165 . 0 0 "[ . 1 . 2]" 1
318 1 15 SER H 1 15 SER HB2 . . 3.340 2.852 2.266 3.383 0.043 5 0 "[ . 1 . 2]" 1
319 1 15 SER H 1 15 SER HB3 . . 3.040 2.597 2.249 2.905 . 0 0 "[ . 1 . 2]" 1
320 1 15 SER H 1 16 ARG H . . 4.750 4.420 4.123 4.629 . 0 0 "[ . 1 . 2]" 1
321 1 15 SER HA 1 15 SER HB2 . . 2.990 2.502 2.384 2.595 . 0 0 "[ . 1 . 2]" 1
322 1 15 SER HA 1 16 ARG H . . 2.830 2.428 2.071 2.821 . 0 0 "[ . 1 . 2]" 1
323 1 15 SER HB2 1 16 ARG H . . 3.930 3.822 3.581 4.122 0.192 18 0 "[ . 1 . 2]" 1
324 1 15 SER HB3 1 16 ARG H . . 4.080 3.448 2.664 4.148 0.068 5 0 "[ . 1 . 2]" 1
325 1 16 ARG H 1 16 ARG HB2 . . 3.570 3.219 2.353 3.671 0.101 9 0 "[ . 1 . 2]" 1
326 1 16 ARG H 1 16 ARG HD2 . . 5.160 3.840 1.955 4.968 . 0 0 "[ . 1 . 2]" 1
327 1 16 ARG H 1 16 ARG HD3 . . 4.850 3.796 2.078 4.853 0.003 9 0 "[ . 1 . 2]" 1
328 1 16 ARG H 1 16 ARG HE . . 5.500 4.426 2.769 5.312 . 0 0 "[ . 1 . 2]" 1
329 1 16 ARG H 1 16 ARG QG . . 3.640 2.379 1.816 3.258 . 0 0 "[ . 1 . 2]" 1
330 1 16 ARG H 1 17 PRO HD2 . . 5.500 4.812 4.444 5.103 . 0 0 "[ . 1 . 2]" 1
331 1 16 ARG H 1 17 PRO HD3 . . 5.170 4.765 4.403 5.116 . 0 0 "[ . 1 . 2]" 1
332 1 16 ARG HA 1 16 ARG HD3 . . 5.250 4.726 4.060 5.334 0.084 6 0 "[ . 1 . 2]" 1
333 1 16 ARG HA 1 17 PRO HD2 . . 3.850 2.161 2.007 2.462 . 0 0 "[ . 1 . 2]" 1
334 1 16 ARG HA 1 17 PRO HD3 . . 3.860 2.613 2.335 2.804 . 0 0 "[ . 1 . 2]" 1
335 1 16 ARG HA 1 34 MET ME . . 4.460 4.269 3.556 4.562 0.102 16 0 "[ . 1 . 2]" 1
336 1 16 ARG HA 1 89 VAL QG . . 4.610 4.288 3.927 4.639 0.029 13 0 "[ . 1 . 2]" 1
337 1 16 ARG HD2 1 34 MET ME . . 4.130 3.163 2.030 4.207 0.077 15 0 "[ . 1 . 2]" 1
338 1 16 ARG HD3 1 34 MET ME . . 4.240 3.123 2.077 4.151 . 0 0 "[ . 1 . 2]" 1
339 1 16 ARG QG 1 17 PRO HD3 . . 5.230 5.046 4.385 5.329 0.099 9 0 "[ . 1 . 2]" 1
340 1 17 PRO HA 1 18 MET H . . 2.950 2.566 2.374 2.825 . 0 0 "[ . 1 . 2]" 1
341 1 17 PRO HB2 1 18 MET H . . 4.160 2.335 1.989 2.745 . 0 0 "[ . 1 . 2]" 1
342 1 17 PRO HB2 1 18 MET ME . . 3.410 3.463 3.067 3.532 0.122 6 0 "[ . 1 . 2]" 1
343 1 17 PRO HB2 1 19 ILE MD . . 3.890 3.414 2.738 4.012 0.122 6 0 "[ . 1 . 2]" 1
344 1 17 PRO HB2 1 19 ILE HG12 . . 4.910 3.686 3.016 4.536 . 0 0 "[ . 1 . 2]" 1
345 1 17 PRO HB2 1 19 ILE HG13 . . 5.010 4.624 3.092 5.080 0.070 12 0 "[ . 1 . 2]" 1
346 1 17 PRO HB2 1 92 GLN QG . . 5.190 3.887 3.228 4.245 . 0 0 "[ . 1 . 2]" 1
347 1 17 PRO HB2 1 93 MET H . . 5.330 4.639 4.098 5.235 . 0 0 "[ . 1 . 2]" 1
348 1 17 PRO HB3 1 18 MET H . . 4.160 3.388 3.081 3.568 . 0 0 "[ . 1 . 2]" 1
349 1 17 PRO HB3 1 19 ILE MD . . 5.000 4.581 3.885 5.096 0.096 16 0 "[ . 1 . 2]" 1
350 1 17 PRO HD2 1 18 MET H . . 5.500 5.407 5.163 5.565 0.065 1 0 "[ . 1 . 2]" 1
351 1 17 PRO HD2 1 89 VAL QG . . 3.770 2.763 2.375 3.072 . 0 0 "[ . 1 . 2]" 1
352 1 17 PRO HD2 1 93 MET HG3 . . 5.490 4.285 3.772 4.778 . 0 0 "[ . 1 . 2]" 1
353 1 17 PRO HD3 1 89 VAL QG . . 4.450 3.365 2.975 3.859 . 0 0 "[ . 1 . 2]" 1
354 1 17 PRO HD3 1 93 MET ME . . 4.590 4.432 3.889 4.675 0.085 7 0 "[ . 1 . 2]" 1
355 1 17 PRO HD3 1 93 MET HG2 . . 5.280 3.080 2.272 3.999 . 0 0 "[ . 1 . 2]" 1
356 1 17 PRO HD3 1 93 MET HG3 . . 5.470 3.336 2.805 3.803 . 0 0 "[ . 1 . 2]" 1
357 1 17 PRO HG2 1 19 ILE MD . . 4.780 2.765 2.256 3.629 . 0 0 "[ . 1 . 2]" 1
358 1 17 PRO HG2 1 19 ILE HG12 . . 5.500 3.014 2.182 4.678 . 0 0 "[ . 1 . 2]" 1
359 1 17 PRO HG2 1 19 ILE HG13 . . 5.500 3.466 2.579 4.280 . 0 0 "[ . 1 . 2]" 1
360 1 17 PRO HG2 1 89 VAL HA . . 5.160 3.487 2.979 3.956 . 0 0 "[ . 1 . 2]" 1
361 1 17 PRO HG3 1 19 ILE MD . . 4.530 3.512 2.729 4.619 0.089 16 0 "[ . 1 . 2]" 1
362 1 17 PRO HG3 1 89 VAL QG . . 4.450 2.266 1.976 3.093 . 0 0 "[ . 1 . 2]" 1
363 1 17 PRO HG3 1 93 MET HG3 . . 5.500 2.320 2.026 2.651 . 0 0 "[ . 1 . 2]" 1
364 1 18 MET H 1 18 MET QB . . 3.340 2.649 2.212 3.148 . 0 0 "[ . 1 . 2]" 1
365 1 18 MET H 1 18 MET ME . . 5.500 1.958 1.666 2.221 . 0 0 "[ . 1 . 2]" 1
366 1 18 MET H 1 18 MET HG2 . . 4.550 3.488 1.947 4.574 0.024 12 0 "[ . 1 . 2]" 1
367 1 18 MET H 1 18 MET HG3 . . 5.110 3.381 2.619 4.178 . 0 0 "[ . 1 . 2]" 1
368 1 18 MET H 1 19 ILE H . . 4.830 4.106 3.365 4.571 . 0 0 "[ . 1 . 2]" 1
369 1 18 MET H 1 19 ILE HA . . 5.500 4.897 4.293 5.330 . 0 0 "[ . 1 . 2]" 1
370 1 18 MET HA 1 18 MET ME . . 3.660 3.663 3.395 3.765 0.105 17 0 "[ . 1 . 2]" 1
371 1 18 MET HA 1 18 MET HG2 . . 4.240 3.421 3.042 3.709 . 0 0 "[ . 1 . 2]" 1
372 1 18 MET HA 1 18 MET HG3 . . 4.290 3.099 2.359 4.196 . 0 0 "[ . 1 . 2]" 1
373 1 18 MET HA 1 19 ILE H . . 3.150 2.262 2.122 2.505 . 0 0 "[ . 1 . 2]" 1
374 1 18 MET HA 1 19 ILE HA . . 4.490 4.478 4.368 4.559 0.069 17 0 "[ . 1 . 2]" 1
375 1 18 MET HA 1 19 ILE MD . . 5.500 4.979 4.443 5.602 0.102 6 0 "[ . 1 . 2]" 1
376 1 18 MET HA 1 19 ILE HG12 . . 5.080 4.391 3.392 6.030 0.950 10 2 "[ . + - 2]" 1
377 1 18 MET QB 1 18 MET ME . . 2.400 2.322 2.185 2.447 0.047 13 0 "[ . 1 . 2]" 1
378 1 18 MET QB 1 19 ILE H . . 4.420 3.502 2.825 3.950 . 0 0 "[ . 1 . 2]" 1
379 1 18 MET ME 1 19 ILE H . . 5.500 5.139 4.869 5.373 . 0 0 "[ . 1 . 2]" 1
380 1 18 MET HG3 1 19 ILE H . . 5.240 4.885 4.273 5.565 0.325 6 0 "[ . 1 . 2]" 1
381 1 19 ILE H 1 19 ILE HB . . 3.620 2.699 2.414 3.421 . 0 0 "[ . 1 . 2]" 1
382 1 19 ILE H 1 19 ILE MD . . 5.050 3.823 3.066 4.434 . 0 0 "[ . 1 . 2]" 1
383 1 19 ILE H 1 19 ILE HG13 . . 4.240 3.630 2.376 4.319 0.079 8 0 "[ . 1 . 2]" 1
384 1 19 ILE H 1 20 HIS H . . 4.870 4.439 4.135 4.663 . 0 0 "[ . 1 . 2]" 1
385 1 19 ILE H 1 21 PHE QE . . 5.450 5.239 4.478 5.549 0.099 18 0 "[ . 1 . 2]" 1
386 1 19 ILE HA 1 19 ILE MD . . 3.900 2.753 2.104 3.995 0.095 16 0 "[ . 1 . 2]" 1
387 1 19 ILE HA 1 19 ILE HG12 . . 3.640 3.078 2.512 3.332 . 0 0 "[ . 1 . 2]" 1
388 1 19 ILE HA 1 19 ILE HG13 . . 4.210 3.725 3.027 3.923 . 0 0 "[ . 1 . 2]" 1
389 1 19 ILE HA 1 19 ILE MG . . 3.380 2.302 2.120 2.419 . 0 0 "[ . 1 . 2]" 1
390 1 19 ILE HA 1 20 HIS H . . 2.750 2.285 2.114 2.476 . 0 0 "[ . 1 . 2]" 1
391 1 19 ILE HA 1 20 HIS HA . . 4.930 4.499 4.419 4.584 . 0 0 "[ . 1 . 2]" 1
392 1 19 ILE HA 1 20 HIS HD2 . . 4.750 3.901 2.354 4.819 0.069 18 0 "[ . 1 . 2]" 1
393 1 19 ILE HA 1 92 GLN HE22 . . 5.500 4.480 3.793 5.398 . 0 0 "[ . 1 . 2]" 1
394 1 19 ILE HB 1 20 HIS H . . 4.230 3.855 3.231 4.144 . 0 0 "[ . 1 . 2]" 1
395 1 19 ILE HB 1 21 PHE QE . . 3.560 2.854 2.221 3.268 . 0 0 "[ . 1 . 2]" 1
396 1 19 ILE HB 1 21 PHE HZ . . 5.480 4.101 3.421 4.510 . 0 0 "[ . 1 . 2]" 1
397 1 19 ILE HB 1 30 TYR QD . . 4.670 4.042 3.054 4.755 0.085 14 0 "[ . 1 . 2]" 1
398 1 19 ILE HB 1 30 TYR QE . . 4.800 4.163 2.803 4.889 0.089 19 0 "[ . 1 . 2]" 1
399 1 19 ILE MD 1 19 ILE MG . . 3.350 2.054 1.927 2.234 . 0 0 "[ . 1 . 2]" 1
400 1 19 ILE MD 1 20 HIS H . . 5.050 4.139 3.584 5.115 0.065 16 0 "[ . 1 . 2]" 1
401 1 19 ILE MD 1 21 PHE QD . . 5.500 5.118 4.319 5.591 0.091 9 0 "[ . 1 . 2]" 1
402 1 19 ILE MD 1 21 PHE QE . . 4.450 3.931 2.532 4.570 0.120 9 0 "[ . 1 . 2]" 1
403 1 19 ILE MD 1 21 PHE HZ . . 4.410 3.719 2.284 4.490 0.080 17 0 "[ . 1 . 2]" 1
404 1 19 ILE MD 1 30 TYR QE . . 4.780 4.181 2.561 4.885 0.105 19 0 "[ . 1 . 2]" 1
405 1 19 ILE MD 1 88 ARG HA . . 4.880 3.800 3.437 4.314 . 0 0 "[ . 1 . 2]" 1
406 1 19 ILE MD 1 88 ARG HB2 . . 4.790 3.285 2.175 3.992 . 0 0 "[ . 1 . 2]" 1
407 1 19 ILE MD 1 88 ARG HB3 . . 4.090 2.203 2.011 2.558 . 0 0 "[ . 1 . 2]" 1
408 1 19 ILE MD 1 88 ARG HD2 . . 4.910 4.684 4.116 5.002 0.092 13 0 "[ . 1 . 2]" 1
409 1 19 ILE MD 1 88 ARG HD3 . . 4.780 4.194 3.165 4.904 0.124 6 0 "[ . 1 . 2]" 1
410 1 19 ILE MD 1 88 ARG HE . . 5.500 4.815 3.611 5.581 0.081 15 0 "[ . 1 . 2]" 1
411 1 19 ILE MD 1 88 ARG HG2 . . 4.790 4.055 2.990 4.888 0.098 14 0 "[ . 1 . 2]" 1
412 1 19 ILE MD 1 88 ARG HG3 . . 4.800 3.771 2.519 4.804 0.004 12 0 "[ . 1 . 2]" 1
413 1 19 ILE MD 1 89 VAL HA . . 3.300 2.024 1.899 2.252 . 0 0 "[ . 1 . 2]" 1
414 1 19 ILE MD 1 89 VAL HB . . 4.570 3.187 2.264 4.089 . 0 0 "[ . 1 . 2]" 1
415 1 19 ILE MD 1 89 VAL QG . . 3.760 2.241 2.010 2.794 . 0 0 "[ . 1 . 2]" 1
416 1 19 ILE MD 1 90 VAL H . . 5.500 4.758 4.521 5.016 . 0 0 "[ . 1 . 2]" 1
417 1 19 ILE MD 1 92 GLN H . . 5.500 3.803 3.442 4.684 . 0 0 "[ . 1 . 2]" 1
418 1 19 ILE MD 1 92 GLN HB2 . . 4.820 2.693 2.113 3.692 . 0 0 "[ . 1 . 2]" 1
419 1 19 ILE MD 1 92 GLN HB3 . . 4.740 3.621 2.814 4.803 0.063 15 0 "[ . 1 . 2]" 1
420 1 19 ILE MD 1 92 GLN HE21 . . 5.110 3.581 2.954 5.183 0.073 14 0 "[ . 1 . 2]" 1
421 1 19 ILE MD 1 92 GLN QG . . 4.230 2.294 1.823 3.471 . 0 0 "[ . 1 . 2]" 1
422 1 19 ILE MD 1 93 MET H . . 4.900 4.529 4.004 5.008 0.108 15 0 "[ . 1 . 2]" 1
423 1 19 ILE MD 1 93 MET ME . . 5.500 5.489 5.044 5.642 0.142 1 0 "[ . 1 . 2]" 1
424 1 19 ILE HG12 1 21 PHE QE . . 5.300 4.927 4.001 5.318 0.018 4 0 "[ . 1 . 2]" 1
425 1 19 ILE HG12 1 89 VAL HA . . 5.170 3.853 3.204 4.341 . 0 0 "[ . 1 . 2]" 1
426 1 19 ILE HG12 1 89 VAL HB . . 5.250 4.898 4.623 5.336 0.086 17 0 "[ . 1 . 2]" 1
427 1 19 ILE HG12 1 89 VAL QG . . 5.420 3.163 2.666 4.118 . 0 0 "[ . 1 . 2]" 1
428 1 19 ILE HG12 1 92 GLN HE21 . . 5.500 5.147 3.520 5.580 0.080 2 0 "[ . 1 . 2]" 1
429 1 19 ILE HG12 1 92 GLN QG . . 5.500 3.606 2.047 4.576 . 0 0 "[ . 1 . 2]" 1
430 1 19 ILE HG13 1 20 HIS H . . 5.360 5.258 5.031 5.424 0.064 1 0 "[ . 1 . 2]" 1
431 1 19 ILE HG13 1 21 PHE QE . . 5.290 4.039 3.075 5.236 . 0 0 "[ . 1 . 2]" 1
432 1 19 ILE HG13 1 30 TYR QE . . 5.270 3.871 3.239 4.987 . 0 0 "[ . 1 . 2]" 1
433 1 19 ILE HG13 1 89 VAL HB . . 4.850 4.175 3.414 4.920 0.070 11 0 "[ . 1 . 2]" 1
434 1 19 ILE HG13 1 89 VAL QG . . 5.500 2.715 2.026 3.760 . 0 0 "[ . 1 . 2]" 1
435 1 19 ILE MG 1 20 HIS H . . 3.630 2.253 1.792 2.569 . 0 0 "[ . 1 . 2]" 1
436 1 19 ILE MG 1 20 HIS HA . . 4.850 3.616 3.045 4.385 . 0 0 "[ . 1 . 2]" 1
437 1 19 ILE MG 1 20 HIS HB2 . . 5.380 4.849 4.430 5.329 . 0 0 "[ . 1 . 2]" 1
438 1 19 ILE MG 1 21 PHE H . . 5.500 3.122 2.166 3.783 . 0 0 "[ . 1 . 2]" 1
439 1 19 ILE MG 1 21 PHE HA . . 4.880 3.686 3.241 3.956 . 0 0 "[ . 1 . 2]" 1
440 1 19 ILE MG 1 21 PHE QD . . 4.690 3.041 2.835 3.576 . 0 0 "[ . 1 . 2]" 1
441 1 19 ILE MG 1 21 PHE QE . . 4.070 2.637 2.413 3.652 . 0 0 "[ . 1 . 2]" 1
442 1 19 ILE MG 1 21 PHE HZ . . 4.380 2.680 2.453 4.233 . 0 0 "[ . 1 . 2]" 1
443 1 19 ILE MG 1 88 ARG H . . 5.500 5.004 4.592 5.390 . 0 0 "[ . 1 . 2]" 1
444 1 19 ILE MG 1 88 ARG HA . . 5.500 4.267 4.001 4.625 . 0 0 "[ . 1 . 2]" 1
445 1 19 ILE MG 1 88 ARG HB2 . . 4.690 3.189 2.550 3.736 . 0 0 "[ . 1 . 2]" 1
446 1 19 ILE MG 1 88 ARG HB3 . . 4.300 2.267 1.991 2.636 . 0 0 "[ . 1 . 2]" 1
447 1 19 ILE MG 1 88 ARG HD2 . . 4.640 3.670 2.575 4.733 0.093 2 0 "[ . 1 . 2]" 1
448 1 19 ILE MG 1 88 ARG HD3 . . 4.640 3.072 2.008 4.250 . 0 0 "[ . 1 . 2]" 1
449 1 19 ILE MG 1 88 ARG HE . . 5.500 4.042 1.908 4.841 . 0 0 "[ . 1 . 2]" 1
450 1 19 ILE MG 1 88 ARG HG2 . . 4.840 3.253 2.001 4.458 . 0 0 "[ . 1 . 2]" 1
451 1 19 ILE MG 1 88 ARG HG3 . . 4.300 3.089 2.395 4.157 . 0 0 "[ . 1 . 2]" 1
452 1 19 ILE MG 1 89 VAL QG . . 4.990 4.083 3.289 4.746 . 0 0 "[ . 1 . 2]" 1
453 1 19 ILE MG 1 92 GLN HE21 . . 5.500 3.780 2.145 4.386 . 0 0 "[ . 1 . 2]" 1
454 1 19 ILE MG 1 92 GLN HE22 . . 5.360 5.070 3.381 5.453 0.093 4 0 "[ . 1 . 2]" 1
455 1 19 ILE MG 1 92 GLN QG . . 5.260 3.480 2.651 3.937 . 0 0 "[ . 1 . 2]" 1
456 1 20 HIS H 1 20 HIS HB2 . . 3.790 3.310 2.483 3.859 0.069 14 0 "[ . 1 . 2]" 1
457 1 20 HIS H 1 20 HIS HB3 . . 3.440 3.589 3.257 3.861 0.421 7 0 "[ . 1 . 2]" 1
458 1 20 HIS H 1 20 HIS HD2 . . 4.810 3.249 2.077 4.353 . 0 0 "[ . 1 . 2]" 1
459 1 20 HIS H 1 21 PHE H . . 5.000 3.627 2.092 4.178 . 0 0 "[ . 1 . 2]" 1
460 1 20 HIS H 1 21 PHE QE . . 5.500 5.197 4.813 5.544 0.044 18 0 "[ . 1 . 2]" 1
461 1 20 HIS HA 1 20 HIS HD2 . . 4.700 4.175 2.456 4.760 0.060 7 0 "[ . 1 . 2]" 1
462 1 20 HIS HA 1 21 PHE H . . 3.210 2.301 2.069 3.291 0.081 16 0 "[ . 1 . 2]" 1
463 1 20 HIS HA 1 21 PHE QD . . 4.460 3.854 2.963 4.183 . 0 0 "[ . 1 . 2]" 1
464 1 20 HIS HA 1 21 PHE QE . . 5.240 5.206 4.634 5.336 0.096 11 0 "[ . 1 . 2]" 1
465 1 20 HIS HA 1 22 GLY H . . 4.190 3.342 2.941 4.124 . 0 0 "[ . 1 . 2]" 1
466 1 20 HIS HB3 1 20 HIS HD2 . . 3.780 3.394 2.581 3.922 0.142 5 0 "[ . 1 . 2]" 1
467 1 20 HIS HB3 1 21 PHE H . . 4.820 4.217 3.522 4.662 . 0 0 "[ . 1 . 2]" 1
468 1 20 HIS HB3 1 22 GLY H . . 4.940 4.038 2.701 5.018 0.078 4 0 "[ . 1 . 2]" 1
469 1 21 PHE H 1 21 PHE HB2 . . 3.890 2.613 2.420 3.520 . 0 0 "[ . 1 . 2]" 1
470 1 21 PHE H 1 21 PHE HB3 . . 3.770 3.629 3.536 3.864 0.094 16 0 "[ . 1 . 2]" 1
471 1 21 PHE H 1 21 PHE QD . . 3.690 2.376 1.968 2.966 . 0 0 "[ . 1 . 2]" 1
472 1 21 PHE H 1 21 PHE QE . . 5.330 4.265 3.818 4.908 . 0 0 "[ . 1 . 2]" 1
473 1 21 PHE H 1 22 GLY H . . 3.550 2.552 2.082 2.853 . 0 0 "[ . 1 . 2]" 1
474 1 21 PHE H 1 23 ASN H . . 4.430 3.612 2.887 4.433 0.003 16 0 "[ . 1 . 2]" 1
475 1 21 PHE HA 1 21 PHE QD . . 3.770 2.935 2.658 3.252 . 0 0 "[ . 1 . 2]" 1
476 1 21 PHE HA 1 21 PHE QE . . 5.120 4.685 4.461 4.823 . 0 0 "[ . 1 . 2]" 1
477 1 21 PHE HA 1 22 GLY H . . 3.640 3.395 3.141 3.542 . 0 0 "[ . 1 . 2]" 1
478 1 21 PHE HA 1 23 ASN H . . 4.530 4.452 4.238 4.611 0.081 5 0 "[ . 1 . 2]" 1
479 1 21 PHE HB2 1 22 GLY H . . 3.760 3.355 2.962 3.749 . 0 0 "[ . 1 . 2]" 1
480 1 21 PHE HB2 1 23 ASN H . . 4.000 2.602 2.193 2.945 . 0 0 "[ . 1 . 2]" 1
481 1 21 PHE HB2 1 23 ASN HB3 . . 4.910 4.369 3.529 4.944 0.034 16 0 "[ . 1 . 2]" 1
482 1 21 PHE HB2 1 23 ASN HD21 . . 5.500 3.978 2.832 5.576 0.076 9 0 "[ . 1 . 2]" 1
483 1 21 PHE HB2 1 23 ASN HD22 . . 5.270 5.349 4.444 5.589 0.319 10 0 "[ . 1 . 2]" 1
484 1 21 PHE HB2 1 26 GLU QB . . 4.410 2.357 2.109 2.755 . 0 0 "[ . 1 . 2]" 1
485 1 21 PHE HB2 1 26 GLU QG . . 5.500 4.092 3.596 4.486 . 0 0 "[ . 1 . 2]" 1
486 1 21 PHE HB2 1 27 ASP H . . 5.500 4.011 3.351 4.644 . 0 0 "[ . 1 . 2]" 1
487 1 21 PHE HB3 1 22 GLY H . . 4.140 4.159 3.990 4.222 0.082 16 0 "[ . 1 . 2]" 1
488 1 21 PHE HB3 1 26 GLU QB . . 4.410 2.996 2.486 3.483 . 0 0 "[ . 1 . 2]" 1
489 1 21 PHE QD 1 22 GLY H . . 4.590 4.416 3.996 4.656 0.066 2 0 "[ . 1 . 2]" 1
490 1 21 PHE QD 1 26 GLU QB . . 4.770 2.920 2.475 3.351 . 0 0 "[ . 1 . 2]" 1
491 1 21 PHE QD 1 27 ASP H . . 4.650 3.766 3.169 4.711 0.061 6 0 "[ . 1 . 2]" 1
492 1 21 PHE QD 1 27 ASP HA . . 3.640 3.000 2.325 3.717 0.077 11 0 "[ . 1 . 2]" 1
493 1 21 PHE QD 1 84 LYS QE . . 4.410 3.782 2.556 4.486 0.076 17 0 "[ . 1 . 2]" 1
494 1 21 PHE QD 1 85 MET HA . . 5.020 4.503 4.128 4.846 . 0 0 "[ . 1 . 2]" 1
495 1 21 PHE QD 1 85 MET ME . . 4.340 3.769 3.119 4.455 0.115 10 0 "[ . 1 . 2]" 1
496 1 21 PHE QD 1 88 ARG HB2 . . 4.720 4.559 4.029 4.830 0.110 6 0 "[ . 1 . 2]" 1
497 1 21 PHE QD 1 88 ARG HB3 . . 5.350 4.937 4.721 5.234 . 0 0 "[ . 1 . 2]" 1
498 1 21 PHE QD 1 88 ARG HD2 . . 4.920 3.872 2.806 4.990 0.070 6 0 "[ . 1 . 2]" 1
499 1 21 PHE QD 1 88 ARG HD3 . . 5.010 3.720 2.408 5.078 0.068 13 0 "[ . 1 . 2]" 1
500 1 21 PHE QD 1 88 ARG HG2 . . 4.670 4.020 3.122 4.747 0.077 10 0 "[ . 1 . 2]" 1
501 1 21 PHE QD 1 88 ARG HG3 . . 4.580 3.869 2.991 4.762 0.182 1 0 "[ . 1 . 2]" 1
502 1 21 PHE QE 1 27 ASP HA . . 4.850 3.344 2.747 4.391 . 0 0 "[ . 1 . 2]" 1
503 1 21 PHE QE 1 30 TYR HB2 . . 4.640 2.884 2.312 3.891 . 0 0 "[ . 1 . 2]" 1
504 1 21 PHE QE 1 30 TYR HB3 . . 5.070 3.233 2.507 4.287 . 0 0 "[ . 1 . 2]" 1
505 1 21 PHE QE 1 30 TYR QD . . 4.390 3.530 2.870 4.096 . 0 0 "[ . 1 . 2]" 1
506 1 21 PHE QE 1 84 LYS QE . . 4.500 4.036 2.692 4.596 0.096 9 0 "[ . 1 . 2]" 1
507 1 21 PHE QE 1 85 MET H . . 5.500 4.735 4.317 5.204 . 0 0 "[ . 1 . 2]" 1
508 1 21 PHE QE 1 85 MET HA . . 4.590 2.303 2.051 2.577 . 0 0 "[ . 1 . 2]" 1
509 1 21 PHE QE 1 85 MET HB2 . . 5.220 4.815 4.273 5.246 0.026 3 0 "[ . 1 . 2]" 1
510 1 21 PHE QE 1 85 MET HG2 . . 4.230 3.873 3.268 4.310 0.080 20 0 "[ . 1 . 2]" 1
511 1 21 PHE QE 1 88 ARG HB3 . . 4.740 3.561 3.044 3.986 . 0 0 "[ . 1 . 2]" 1
512 1 21 PHE QE 1 88 ARG HD2 . . 4.690 3.671 2.695 4.746 0.056 6 0 "[ . 1 . 2]" 1
513 1 21 PHE QE 1 88 ARG HD3 . . 4.630 3.543 2.238 4.643 0.013 9 0 "[ . 1 . 2]" 1
514 1 21 PHE QE 1 88 ARG HG2 . . 4.840 3.282 2.522 3.929 . 0 0 "[ . 1 . 2]" 1
515 1 21 PHE QE 1 88 ARG HG3 . . 4.640 3.084 2.116 4.335 . 0 0 "[ . 1 . 2]" 1
516 1 21 PHE HZ 1 30 TYR HB2 . . 4.510 3.467 2.497 4.216 . 0 0 "[ . 1 . 2]" 1
517 1 21 PHE HZ 1 85 MET HA . . 4.460 3.020 2.105 3.866 . 0 0 "[ . 1 . 2]" 1
518 1 21 PHE HZ 1 85 MET HB2 . . 4.650 4.583 4.032 5.036 0.386 20 0 "[ . 1 . 2]" 1
519 1 21 PHE HZ 1 85 MET ME . . 4.210 3.115 2.578 3.883 . 0 0 "[ . 1 . 2]" 1
520 1 21 PHE HZ 1 85 MET HG3 . . 5.180 4.966 4.490 5.242 0.062 10 0 "[ . 1 . 2]" 1
521 1 21 PHE HZ 1 88 ARG HB2 . . 5.080 3.179 2.266 3.830 . 0 0 "[ . 1 . 2]" 1
522 1 21 PHE HZ 1 88 ARG HD2 . . 5.350 5.164 4.517 5.442 0.092 6 0 "[ . 1 . 2]" 1
523 1 21 PHE HZ 1 88 ARG HD3 . . 4.940 4.886 4.381 5.418 0.478 12 0 "[ . 1 . 2]" 1
524 1 21 PHE HZ 1 88 ARG HG2 . . 5.500 4.479 3.238 5.565 0.065 17 0 "[ . 1 . 2]" 1
525 1 21 PHE HZ 1 88 ARG HG3 . . 5.500 4.340 2.712 5.581 0.081 15 0 "[ . 1 . 2]" 1
526 1 21 PHE HZ 1 89 VAL QG . . 5.500 4.514 3.598 4.911 . 0 0 "[ . 1 . 2]" 1
527 1 22 GLY H 1 23 ASN H . . 3.110 2.471 2.244 2.764 . 0 0 "[ . 1 . 2]" 1
528 1 22 GLY HA2 1 23 ASN HA . . 4.940 4.555 4.295 4.759 . 0 0 "[ . 1 . 2]" 1
529 1 22 GLY HA3 1 23 ASN HA . . 5.060 4.654 4.566 4.747 . 0 0 "[ . 1 . 2]" 1
530 1 23 ASN H 1 23 ASN HB2 . . 3.660 2.547 2.241 2.922 . 0 0 "[ . 1 . 2]" 1
531 1 23 ASN H 1 23 ASN HD21 . . 4.810 4.007 3.328 4.892 0.082 9 0 "[ . 1 . 2]" 1
532 1 23 ASN H 1 23 ASN HD22 . . 5.480 5.008 4.446 5.529 0.049 18 0 "[ . 1 . 2]" 1
533 1 23 ASN H 1 24 ASP H . . 4.530 4.253 4.085 4.407 . 0 0 "[ . 1 . 2]" 1
534 1 23 ASN H 1 24 ASP HA . . 4.810 4.795 4.454 4.896 0.086 1 0 "[ . 1 . 2]" 1
535 1 23 ASN H 1 26 GLU H . . 5.490 4.805 4.171 5.205 . 0 0 "[ . 1 . 2]" 1
536 1 23 ASN H 1 26 GLU QB . . 4.610 3.583 3.102 3.905 . 0 0 "[ . 1 . 2]" 1
537 1 23 ASN H 1 27 ASP H . . 4.660 4.401 3.606 4.727 0.067 5 0 "[ . 1 . 2]" 1
538 1 23 ASN HA 1 23 ASN HB3 . . 3.010 2.634 2.431 2.762 . 0 0 "[ . 1 . 2]" 1
539 1 23 ASN HA 1 23 ASN HD22 . . 5.500 4.228 3.709 4.605 . 0 0 "[ . 1 . 2]" 1
540 1 23 ASN HA 1 24 ASP H . . 2.800 2.249 1.950 2.751 . 0 0 "[ . 1 . 2]" 1
541 1 23 ASN HA 1 24 ASP HA . . 5.040 4.416 4.240 4.666 . 0 0 "[ . 1 . 2]" 1
542 1 23 ASN HA 1 25 TRP H . . 4.600 4.324 3.608 4.674 0.074 7 0 "[ . 1 . 2]" 1
543 1 23 ASN HB2 1 25 TRP HD1 . . 4.430 4.129 3.545 4.501 0.071 20 0 "[ . 1 . 2]" 1
544 1 23 ASN HB2 1 25 TRP HE1 . . 5.500 4.589 4.063 5.456 . 0 0 "[ . 1 . 2]" 1
545 1 23 ASN HB2 1 26 GLU H . . 4.550 3.042 2.441 3.457 . 0 0 "[ . 1 . 2]" 1
546 1 23 ASN HB2 1 26 GLU QB . . 5.390 2.156 2.063 2.297 . 0 0 "[ . 1 . 2]" 1
547 1 23 ASN HB3 1 25 TRP H . . 4.200 2.988 2.520 3.356 . 0 0 "[ . 1 . 2]" 1
548 1 23 ASN HB3 1 26 GLU QG . . 5.290 2.678 2.151 3.450 . 0 0 "[ . 1 . 2]" 1
549 1 23 ASN HB3 1 27 ASP H . . 5.280 4.067 3.318 4.788 . 0 0 "[ . 1 . 2]" 1
550 1 23 ASN HD21 1 24 ASP H . . 5.500 5.204 4.077 5.573 0.073 18 0 "[ . 1 . 2]" 1
551 1 23 ASN HD21 1 25 TRP HE1 . . 5.500 4.210 2.481 5.571 0.071 11 0 "[ . 1 . 2]" 1
552 1 23 ASN HD22 1 24 ASP H . . 5.500 5.571 5.359 5.602 0.102 10 0 "[ . 1 . 2]" 1
553 1 23 ASN HD22 1 26 GLU H . . 5.420 5.549 4.682 6.349 0.929 11 8 "[ ** * *+ -** 2]" 1
554 1 23 ASN HD22 1 26 GLU QB . . 4.950 4.770 3.969 5.415 0.465 5 0 "[ . 1 . 2]" 1
555 1 23 ASN HD22 1 26 GLU QG . . 5.200 3.799 2.923 4.861 . 0 0 "[ . 1 . 2]" 1
556 1 24 ASP H 1 24 ASP QB . . 3.000 2.417 2.189 2.617 . 0 0 "[ . 1 . 2]" 1
557 1 24 ASP H 1 25 TRP H . . 3.540 2.450 1.879 2.813 . 0 0 "[ . 1 . 2]" 1
558 1 24 ASP H 1 25 TRP QB . . 5.200 4.502 4.082 4.856 . 0 0 "[ . 1 . 2]" 1
559 1 24 ASP H 1 26 GLU H . . 5.500 3.817 3.070 4.224 . 0 0 "[ . 1 . 2]" 1
560 1 24 ASP H 1 27 ASP H . . 5.120 4.776 4.151 5.181 0.061 7 0 "[ . 1 . 2]" 1
561 1 24 ASP HA 1 26 GLU H . . 5.280 4.443 4.226 4.898 . 0 0 "[ . 1 . 2]" 1
562 1 24 ASP HA 1 27 ASP H . . 4.020 3.774 3.246 4.093 0.073 11 0 "[ . 1 . 2]" 1
563 1 24 ASP HA 1 28 ARG H . . 4.500 4.437 4.123 4.587 0.087 7 0 "[ . 1 . 2]" 1
564 1 24 ASP QB 1 25 TRP H . . 3.380 2.517 2.136 3.176 . 0 0 "[ . 1 . 2]" 1
565 1 24 ASP QB 1 25 TRP HA . . 4.570 3.843 3.303 4.634 0.064 16 0 "[ . 1 . 2]" 1
566 1 24 ASP QB 1 25 TRP QB . . 5.110 3.769 3.357 4.559 . 0 0 "[ . 1 . 2]" 1
567 1 24 ASP QB 1 26 GLU H . . 5.310 4.680 4.285 4.972 . 0 0 "[ . 1 . 2]" 1
568 1 25 TRP H 1 25 TRP QB . . 2.970 2.332 2.124 2.639 . 0 0 "[ . 1 . 2]" 1
569 1 25 TRP H 1 25 TRP HD1 . . 4.010 2.522 2.245 2.919 . 0 0 "[ . 1 . 2]" 1
570 1 25 TRP H 1 26 GLU H . . 3.580 2.734 2.225 2.976 . 0 0 "[ . 1 . 2]" 1
571 1 25 TRP H 1 27 ASP H . . 4.990 4.355 4.052 4.725 . 0 0 "[ . 1 . 2]" 1
572 1 25 TRP H 1 28 ARG H . . 5.500 4.936 4.631 5.240 . 0 0 "[ . 1 . 2]" 1
573 1 25 TRP HA 1 25 TRP HD1 . . 4.500 4.271 4.262 4.285 . 0 0 "[ . 1 . 2]" 1
574 1 25 TRP HA 1 28 ARG H . . 4.100 3.388 3.160 3.716 . 0 0 "[ . 1 . 2]" 1
575 1 25 TRP HA 1 28 ARG QB . . 3.720 2.613 2.200 3.028 . 0 0 "[ . 1 . 2]" 1
576 1 25 TRP HA 1 28 ARG HD3 . . 5.040 4.016 2.375 5.093 0.053 12 0 "[ . 1 . 2]" 1
577 1 25 TRP HA 1 28 ARG QG . . 5.330 4.481 3.576 4.998 . 0 0 "[ . 1 . 2]" 1
578 1 25 TRP QB 1 25 TRP HD1 . . 3.250 2.657 2.565 2.793 . 0 0 "[ . 1 . 2]" 1
579 1 25 TRP QB 1 25 TRP HE1 . . 4.780 4.496 4.468 4.537 . 0 0 "[ . 1 . 2]" 1
580 1 25 TRP QB 1 25 TRP HE3 . . 3.460 2.525 2.435 2.621 . 0 0 "[ . 1 . 2]" 1
581 1 25 TRP HD1 1 26 GLU H . . 4.220 2.858 2.503 3.212 . 0 0 "[ . 1 . 2]" 1
582 1 25 TRP HD1 1 26 GLU QB . . 4.780 4.446 3.935 4.654 . 0 0 "[ . 1 . 2]" 1
583 1 25 TRP HD1 1 26 GLU QG . . 4.410 3.055 2.769 3.267 . 0 0 "[ . 1 . 2]" 1
584 1 25 TRP HE1 1 26 GLU QG . . 5.500 2.352 2.118 2.550 . 0 0 "[ . 1 . 2]" 1
585 1 25 TRP HE3 1 28 ARG QB . . 4.810 4.683 4.361 4.883 0.073 13 0 "[ . 1 . 2]" 1
586 1 25 TRP HE3 1 29 TYR H . . 5.500 4.373 3.829 5.088 . 0 0 "[ . 1 . 2]" 1
587 1 25 TRP HH2 1 26 GLU QG . . 4.770 4.227 3.692 4.678 . 0 0 "[ . 1 . 2]" 1
588 1 25 TRP HH2 1 29 TYR HB3 . . 4.810 4.887 4.454 5.455 0.645 8 2 "[ . +-1 . 2]" 1
589 1 25 TRP HH2 1 29 TYR QD . . 2.940 2.976 2.710 3.025 0.085 2 0 "[ . 1 . 2]" 1
590 1 25 TRP HH2 1 81 THR MG . . 4.680 2.235 2.067 2.687 . 0 0 "[ . 1 . 2]" 1
591 1 25 TRP HZ2 1 26 GLU HA . . 4.520 4.506 4.241 4.602 0.082 9 0 "[ . 1 . 2]" 1
592 1 25 TRP HZ2 1 26 GLU QG . . 4.630 2.854 2.667 3.163 . 0 0 "[ . 1 . 2]" 1
593 1 25 TRP HZ2 1 81 THR MG . . 4.290 3.131 2.423 3.790 . 0 0 "[ . 1 . 2]" 1
594 1 25 TRP HZ3 1 29 TYR QD . . 4.300 2.607 2.109 3.342 . 0 0 "[ . 1 . 2]" 1
595 1 25 TRP HZ3 1 81 THR MG . . 5.010 4.103 3.625 4.461 . 0 0 "[ . 1 . 2]" 1
596 1 26 GLU H 1 26 GLU QB . . 3.600 2.356 2.196 2.455 . 0 0 "[ . 1 . 2]" 1
597 1 26 GLU H 1 26 GLU QG . . 4.820 2.433 2.280 2.643 . 0 0 "[ . 1 . 2]" 1
598 1 26 GLU H 1 27 ASP H . . 3.820 2.627 2.497 2.754 . 0 0 "[ . 1 . 2]" 1
599 1 26 GLU HA 1 28 ARG H . . 5.270 4.439 4.049 4.718 . 0 0 "[ . 1 . 2]" 1
600 1 26 GLU HA 1 29 TYR H . . 4.120 3.256 2.865 3.469 . 0 0 "[ . 1 . 2]" 1
601 1 26 GLU HA 1 29 TYR HB2 . . 4.090 3.173 2.618 3.573 . 0 0 "[ . 1 . 2]" 1
602 1 26 GLU HA 1 29 TYR HB3 . . 4.420 2.417 2.231 2.802 . 0 0 "[ . 1 . 2]" 1
603 1 26 GLU HA 1 29 TYR QD . . 4.760 3.626 2.585 4.453 . 0 0 "[ . 1 . 2]" 1
604 1 26 GLU HA 1 85 MET ME . . 3.640 2.921 2.528 3.575 . 0 0 "[ . 1 . 2]" 1
605 1 26 GLU QB 1 27 ASP H . . 3.890 2.609 2.350 2.829 . 0 0 "[ . 1 . 2]" 1
606 1 26 GLU QB 1 85 MET ME . . 3.770 2.730 2.120 3.658 . 0 0 "[ . 1 . 2]" 1
607 1 26 GLU QG 1 27 ASP H . . 5.350 4.163 4.034 4.316 . 0 0 "[ . 1 . 2]" 1
608 1 27 ASP H 1 28 ARG H . . 3.320 2.728 2.487 2.940 . 0 0 "[ . 1 . 2]" 1
609 1 27 ASP H 1 85 MET ME . . 5.500 4.752 4.175 5.563 0.063 10 0 "[ . 1 . 2]" 1
610 1 27 ASP HA 1 29 TYR H . . 5.250 4.592 4.296 4.810 . 0 0 "[ . 1 . 2]" 1
611 1 27 ASP HA 1 30 TYR H . . 4.520 3.739 3.392 4.161 . 0 0 "[ . 1 . 2]" 1
612 1 27 ASP HA 1 30 TYR QD . . 4.640 3.596 2.943 4.576 . 0 0 "[ . 1 . 2]" 1
613 1 27 ASP HA 1 31 ARG H . . 4.800 4.317 3.776 4.873 0.073 9 0 "[ . 1 . 2]" 1
614 1 27 ASP HA 1 85 MET ME . . 5.500 4.231 3.434 5.126 . 0 0 "[ . 1 . 2]" 1
615 1 27 ASP HB2 1 28 ARG H . . 3.910 3.501 2.559 4.195 0.285 16 0 "[ . 1 . 2]" 1
616 1 28 ARG H 1 28 ARG QB . . 2.930 2.172 2.059 2.317 . 0 0 "[ . 1 . 2]" 1
617 1 28 ARG H 1 28 ARG HD2 . . 4.940 4.704 3.038 5.343 0.403 5 0 "[ . 1 . 2]" 1
618 1 28 ARG H 1 28 ARG QG . . 4.100 3.771 2.956 3.883 . 0 0 "[ . 1 . 2]" 1
619 1 28 ARG H 1 29 TYR H . . 3.780 2.714 2.388 2.992 . 0 0 "[ . 1 . 2]" 1
620 1 28 ARG H 1 29 TYR HA . . 5.500 5.316 5.006 5.564 0.064 2 0 "[ . 1 . 2]" 1
621 1 28 ARG H 1 29 TYR HB3 . . 5.280 4.818 4.457 5.119 . 0 0 "[ . 1 . 2]" 1
622 1 28 ARG H 1 30 TYR H . . 5.080 4.378 4.065 4.561 . 0 0 "[ . 1 . 2]" 1
623 1 28 ARG H 1 31 ARG HE . . 5.500 4.732 3.565 5.581 0.081 20 0 "[ . 1 . 2]" 1
624 1 28 ARG HA 1 28 ARG HD3 . . 5.260 4.677 4.002 5.118 . 0 0 "[ . 1 . 2]" 1
625 1 28 ARG HA 1 28 ARG QG . . 3.610 2.388 2.152 2.805 . 0 0 "[ . 1 . 2]" 1
626 1 28 ARG HA 1 30 TYR H . . 5.500 4.632 4.390 4.832 . 0 0 "[ . 1 . 2]" 1
627 1 28 ARG HA 1 31 ARG H . . 3.960 3.382 3.097 3.779 . 0 0 "[ . 1 . 2]" 1
628 1 28 ARG HA 1 31 ARG HB3 . . 4.710 4.233 3.759 4.710 . 4 0 "[ . 1 . 2]" 1
629 1 28 ARG HA 1 31 ARG HD2 . . 4.800 4.294 3.789 4.770 . 0 0 "[ . 1 . 2]" 1
630 1 28 ARG HA 1 31 ARG HD3 . . 4.630 3.611 2.109 4.829 0.199 1 0 "[ . 1 . 2]" 1
631 1 28 ARG HA 1 31 ARG HE . . 5.430 2.565 1.992 3.174 . 0 0 "[ . 1 . 2]" 1
632 1 28 ARG HA 1 31 ARG HG2 . . 5.070 4.900 4.269 5.146 0.076 10 0 "[ . 1 . 2]" 1
633 1 28 ARG HA 1 31 ARG HG3 . . 4.640 3.798 2.529 4.484 . 0 0 "[ . 1 . 2]" 1
634 1 28 ARG HA 1 32 GLU H . . 4.780 4.675 4.183 4.854 0.074 2 0 "[ . 1 . 2]" 1
635 1 28 ARG QB 1 28 ARG HD3 . . 3.510 2.561 2.147 3.222 . 0 0 "[ . 1 . 2]" 1
636 1 28 ARG QB 1 28 ARG HE . . 4.960 3.778 2.698 4.246 . 0 0 "[ . 1 . 2]" 1
637 1 28 ARG QB 1 29 TYR H . . 3.440 2.618 2.238 2.879 . 0 0 "[ . 1 . 2]" 1
638 1 28 ARG QB 1 31 ARG HE . . 4.360 4.128 3.510 4.446 0.086 10 0 "[ . 1 . 2]" 1
639 1 28 ARG QG 1 29 TYR H . . 4.660 3.581 2.697 4.354 . 0 0 "[ . 1 . 2]" 1
640 1 28 ARG QG 1 31 ARG H . . 5.500 4.754 4.304 5.296 . 0 0 "[ . 1 . 2]" 1
641 1 28 ARG QG 1 32 GLU QG . . 4.800 3.360 2.376 4.091 . 0 0 "[ . 1 . 2]" 1
642 1 29 TYR H 1 29 TYR HB2 . . 3.520 2.499 2.262 2.631 . 0 0 "[ . 1 . 2]" 1
643 1 29 TYR H 1 29 TYR HB3 . . 3.510 2.477 2.235 2.717 . 0 0 "[ . 1 . 2]" 1
644 1 29 TYR H 1 29 TYR QD . . 4.350 4.212 4.125 4.328 . 0 0 "[ . 1 . 2]" 1
645 1 29 TYR H 1 30 TYR H . . 3.660 2.848 2.703 3.012 . 0 0 "[ . 1 . 2]" 1
646 1 29 TYR H 1 31 ARG H . . 5.400 4.239 4.076 4.421 . 0 0 "[ . 1 . 2]" 1
647 1 29 TYR HA 1 29 TYR QD . . 3.910 2.726 2.187 3.358 . 0 0 "[ . 1 . 2]" 1
648 1 29 TYR HA 1 32 GLU H . . 4.330 3.664 3.487 3.885 . 0 0 "[ . 1 . 2]" 1
649 1 29 TYR HA 1 32 GLU QG . . 5.500 4.189 2.186 5.174 . 0 0 "[ . 1 . 2]" 1
650 1 29 TYR HA 1 33 ASN H . . 5.150 4.903 4.354 5.146 . 0 0 "[ . 1 . 2]" 1
651 1 29 TYR HA 1 33 ASN HD21 . . 4.980 3.356 2.674 4.845 . 0 0 "[ . 1 . 2]" 1
652 1 29 TYR HA 1 33 ASN HD22 . . 5.070 4.366 3.423 5.131 0.061 14 0 "[ . 1 . 2]" 1
653 1 29 TYR HB2 1 30 TYR H . . 3.830 3.801 3.684 3.926 0.096 10 0 "[ . 1 . 2]" 1
654 1 29 TYR HB2 1 85 MET ME . . 5.500 3.907 3.426 4.626 . 0 0 "[ . 1 . 2]" 1
655 1 29 TYR QD 1 30 TYR H . . 4.040 3.631 3.020 4.045 0.005 11 0 "[ . 1 . 2]" 1
656 1 29 TYR QD 1 30 TYR HA . . 4.190 3.743 2.630 4.299 0.109 14 0 "[ . 1 . 2]" 1
657 1 29 TYR QD 1 32 GLU H . . 5.500 4.730 4.237 5.328 . 0 0 "[ . 1 . 2]" 1
658 1 29 TYR QD 1 33 ASN HB2 . . 5.500 3.173 2.649 3.640 . 0 0 "[ . 1 . 2]" 1
659 1 29 TYR QD 1 33 ASN HB3 . . 4.660 4.321 3.725 4.733 0.073 14 0 "[ . 1 . 2]" 1
660 1 29 TYR QD 1 33 ASN HD21 . . 5.450 2.790 2.117 3.551 . 0 0 "[ . 1 . 2]" 1
661 1 29 TYR QD 1 81 THR MG . . 4.670 3.157 2.528 3.576 . 0 0 "[ . 1 . 2]" 1
662 1 29 TYR QD 1 85 MET ME . . 3.290 2.446 2.192 3.084 . 0 0 "[ . 1 . 2]" 1
663 1 29 TYR QE 1 33 ASN HB2 . . 4.790 3.560 3.131 4.115 . 0 0 "[ . 1 . 2]" 1
664 1 29 TYR QE 1 33 ASN HB3 . . 4.740 3.685 3.147 4.358 . 0 0 "[ . 1 . 2]" 1
665 1 29 TYR QE 1 33 ASN HD22 . . 4.830 3.434 2.313 4.070 . 0 0 "[ . 1 . 2]" 1
666 1 29 TYR QE 1 81 THR H . . 5.500 5.525 4.978 5.602 0.102 18 0 "[ . 1 . 2]" 1
667 1 29 TYR QE 1 81 THR HB . . 4.250 3.249 2.433 3.641 . 0 0 "[ . 1 . 2]" 1
668 1 29 TYR QE 1 81 THR MG . . 3.630 2.319 1.921 2.761 . 0 0 "[ . 1 . 2]" 1
669 1 29 TYR QE 1 82 ASP H . . 5.500 4.217 3.772 4.675 . 0 0 "[ . 1 . 2]" 1
670 1 29 TYR QE 1 82 ASP HA . . 4.080 3.396 2.498 4.157 0.077 1 0 "[ . 1 . 2]" 1
671 1 29 TYR QE 1 85 MET ME . . 4.520 3.502 2.667 4.503 . 0 0 "[ . 1 . 2]" 1
672 1 29 TYR QE 1 85 MET HG2 . . 4.600 4.351 3.552 4.680 0.080 18 0 "[ . 1 . 2]" 1
673 1 29 TYR QE 1 85 MET HG3 . . 4.210 3.182 2.207 3.673 . 0 0 "[ . 1 . 2]" 1
674 1 30 TYR H 1 30 TYR HB2 . . 3.540 2.643 2.443 2.991 . 0 0 "[ . 1 . 2]" 1
675 1 30 TYR H 1 30 TYR HB3 . . 3.510 2.284 2.120 2.464 . 0 0 "[ . 1 . 2]" 1
676 1 30 TYR H 1 30 TYR QD . . 4.370 4.116 3.772 4.217 . 0 0 "[ . 1 . 2]" 1
677 1 30 TYR H 1 31 ARG H . . 3.750 2.893 2.764 3.035 . 0 0 "[ . 1 . 2]" 1
678 1 30 TYR H 1 32 GLU H . . 5.150 4.239 4.061 4.421 . 0 0 "[ . 1 . 2]" 1
679 1 30 TYR H 1 85 MET ME . . 4.490 2.717 2.253 3.663 . 0 0 "[ . 1 . 2]" 1
680 1 30 TYR HA 1 30 TYR QD . . 3.770 2.669 2.187 3.198 . 0 0 "[ . 1 . 2]" 1
681 1 30 TYR HA 1 34 MET HB3 . . 4.970 4.519 4.039 5.038 0.068 13 0 "[ . 1 . 2]" 1
682 1 30 TYR HA 1 37 TYR QE . . 4.470 3.696 2.758 4.541 0.071 18 0 "[ . 1 . 2]" 1
683 1 30 TYR HA 1 85 MET ME . . 4.450 3.212 2.430 4.521 0.071 3 0 "[ . 1 . 2]" 1
684 1 30 TYR HB2 1 31 ARG H . . 4.300 4.005 3.854 4.187 . 0 0 "[ . 1 . 2]" 1
685 1 30 TYR HB2 1 85 MET ME . . 4.360 2.413 1.955 3.545 . 0 0 "[ . 1 . 2]" 1
686 1 30 TYR HB3 1 31 ARG H . . 3.710 2.656 2.422 2.975 . 0 0 "[ . 1 . 2]" 1
687 1 30 TYR QD 1 31 ARG H . . 4.320 3.344 2.553 3.867 . 0 0 "[ . 1 . 2]" 1
688 1 30 TYR QD 1 31 ARG HA . . 5.010 3.814 2.984 4.437 . 0 0 "[ . 1 . 2]" 1
689 1 30 TYR QD 1 31 ARG HG2 . . 4.710 3.869 3.191 4.400 . 0 0 "[ . 1 . 2]" 1
690 1 30 TYR QD 1 31 ARG HG3 . . 5.500 2.801 2.169 4.045 . 0 0 "[ . 1 . 2]" 1
691 1 30 TYR QD 1 34 MET ME . . 4.570 3.696 3.063 4.652 0.082 16 0 "[ . 1 . 2]" 1
692 1 30 TYR QD 1 37 TYR QD . . 4.350 3.633 2.786 4.347 . 0 0 "[ . 1 . 2]" 1
693 1 30 TYR QD 1 37 TYR QE . . 3.850 2.656 2.128 3.433 . 0 0 "[ . 1 . 2]" 1
694 1 30 TYR QD 1 85 MET HB3 . . 5.070 3.716 2.997 4.418 . 0 0 "[ . 1 . 2]" 1
695 1 30 TYR QD 1 85 MET ME . . 4.760 3.752 2.364 4.856 0.096 6 0 "[ . 1 . 2]" 1
696 1 30 TYR QD 1 89 VAL QG . . 5.070 3.676 3.274 4.135 . 0 0 "[ . 1 . 2]" 1
697 1 30 TYR QE 1 31 ARG H . . 5.500 5.152 4.292 5.580 0.080 4 0 "[ . 1 . 2]" 1
698 1 30 TYR QE 1 31 ARG HG2 . . 4.610 4.296 3.013 4.705 0.095 12 0 "[ . 1 . 2]" 1
699 1 30 TYR QE 1 34 MET HA . . 4.740 3.702 2.329 4.558 . 0 0 "[ . 1 . 2]" 1
700 1 30 TYR QE 1 34 MET HB3 . . 3.870 3.246 2.787 3.938 0.068 9 0 "[ . 1 . 2]" 1
701 1 30 TYR QE 1 34 MET ME . . 3.600 2.997 2.370 3.668 0.068 7 0 "[ . 1 . 2]" 1
702 1 30 TYR QE 1 37 TYR QE . . 4.710 3.863 2.874 4.711 0.001 20 0 "[ . 1 . 2]" 1
703 1 30 TYR QE 1 89 VAL HB . . 4.220 3.806 2.713 4.309 0.089 3 0 "[ . 1 . 2]" 1
704 1 30 TYR QE 1 89 VAL QG . . 3.710 2.316 2.048 2.778 . 0 0 "[ . 1 . 2]" 1
705 1 31 ARG H 1 31 ARG HG2 . . 4.360 3.739 3.204 4.105 . 0 0 "[ . 1 . 2]" 1
706 1 31 ARG H 1 31 ARG HG3 . . 4.320 2.510 2.294 2.951 . 0 0 "[ . 1 . 2]" 1
707 1 31 ARG H 1 32 GLU QB . . 4.690 4.723 4.576 4.779 0.089 2 0 "[ . 1 . 2]" 1
708 1 31 ARG H 1 32 GLU QG . . 5.500 4.619 3.821 5.284 . 0 0 "[ . 1 . 2]" 1
709 1 31 ARG HA 1 31 ARG HD2 . . 4.860 4.551 4.177 4.911 0.051 6 0 "[ . 1 . 2]" 1
710 1 31 ARG HA 1 31 ARG HD3 . . 4.750 4.659 4.449 4.813 0.063 14 0 "[ . 1 . 2]" 1
711 1 31 ARG HA 1 31 ARG HG2 . . 3.620 2.579 2.323 2.815 . 0 0 "[ . 1 . 2]" 1
712 1 31 ARG HA 1 31 ARG HG3 . . 3.910 2.846 2.490 3.318 . 0 0 "[ . 1 . 2]" 1
713 1 31 ARG HA 1 33 ASN H . . 5.290 4.004 3.732 4.418 . 0 0 "[ . 1 . 2]" 1
714 1 31 ARG HA 1 34 MET H . . 4.830 4.180 3.644 4.903 0.073 15 0 "[ . 1 . 2]" 1
715 1 31 ARG HA 1 34 MET HB3 . . 5.010 3.689 3.187 4.350 . 0 0 "[ . 1 . 2]" 1
716 1 31 ARG HA 1 34 MET ME . . 3.670 2.268 1.922 3.763 0.093 16 0 "[ . 1 . 2]" 1
717 1 31 ARG HA 1 34 MET HG2 . . 5.020 3.775 2.546 5.087 0.067 14 0 "[ . 1 . 2]" 1
718 1 31 ARG HB2 1 31 ARG HD3 . . 4.290 3.246 2.421 3.839 . 0 0 "[ . 1 . 2]" 1
719 1 31 ARG HB2 1 32 GLU H . . 3.770 3.235 2.947 3.544 . 0 0 "[ . 1 . 2]" 1
720 1 31 ARG HB2 1 32 GLU QG . . 4.220 3.520 2.806 4.194 . 0 0 "[ . 1 . 2]" 1
721 1 31 ARG HB3 1 32 GLU HA . . 5.140 4.487 4.113 4.877 . 0 0 "[ . 1 . 2]" 1
722 1 31 ARG HE 1 32 GLU H . . 5.500 5.491 4.990 5.579 0.079 13 0 "[ . 1 . 2]" 1
723 1 31 ARG HG3 1 32 GLU H . . 4.920 4.813 4.432 4.980 0.060 13 0 "[ . 1 . 2]" 1
724 1 32 GLU H 1 32 GLU QB . . 3.090 2.379 2.215 2.910 . 0 0 "[ . 1 . 2]" 1
725 1 32 GLU H 1 32 GLU QG . . 3.620 2.945 2.035 3.433 . 0 0 "[ . 1 . 2]" 1
726 1 32 GLU H 1 33 ASN H . . 3.100 2.233 2.030 2.365 . 0 0 "[ . 1 . 2]" 1
727 1 32 GLU H 1 33 ASN HB2 . . 3.810 3.879 3.672 3.902 0.092 13 0 "[ . 1 . 2]" 1
728 1 32 GLU H 1 33 ASN HB3 . . 5.450 5.456 5.234 5.504 0.054 16 0 "[ . 1 . 2]" 1
729 1 32 GLU H 1 33 ASN HD21 . . 5.160 3.586 3.075 4.326 . 0 0 "[ . 1 . 2]" 1
730 1 32 GLU H 1 33 ASN HD22 . . 5.500 5.080 4.492 5.555 0.055 19 0 "[ . 1 . 2]" 1
731 1 32 GLU HA 1 32 GLU QG . . 3.560 2.543 2.121 3.318 . 0 0 "[ . 1 . 2]" 1
732 1 32 GLU HA 1 34 MET H . . 4.600 4.347 3.880 4.649 0.049 14 0 "[ . 1 . 2]" 1
733 1 32 GLU QB 1 33 ASN H . . 3.930 3.407 2.928 4.006 0.076 9 0 "[ . 1 . 2]" 1
734 1 32 GLU QB 1 33 ASN HA . . 5.130 4.348 3.982 4.915 . 0 0 "[ . 1 . 2]" 1
735 1 32 GLU QB 1 33 ASN HD21 . . 4.820 2.891 2.081 4.321 . 0 0 "[ . 1 . 2]" 1
736 1 32 GLU QB 1 33 ASN HD22 . . 4.820 3.452 2.495 4.788 . 0 0 "[ . 1 . 2]" 1
737 1 32 GLU QG 1 33 ASN H . . 5.500 4.488 3.504 4.763 . 0 0 "[ . 1 . 2]" 1
738 1 33 ASN H 1 33 ASN HB2 . . 3.970 2.472 2.164 2.646 . 0 0 "[ . 1 . 2]" 1
739 1 33 ASN H 1 33 ASN HB3 . . 3.670 3.644 3.502 3.746 0.076 18 0 "[ . 1 . 2]" 1
740 1 33 ASN H 1 33 ASN HD21 . . 4.140 3.215 2.637 3.916 . 0 0 "[ . 1 . 2]" 1
741 1 33 ASN H 1 33 ASN HD22 . . 5.070 4.642 4.145 5.115 0.045 19 0 "[ . 1 . 2]" 1
742 1 33 ASN H 1 34 MET H . . 3.300 2.241 1.835 3.012 . 0 0 "[ . 1 . 2]" 1
743 1 33 ASN H 1 34 MET HA . . 5.090 4.487 4.287 4.809 . 0 0 "[ . 1 . 2]" 1
744 1 33 ASN H 1 34 MET HB3 . . 4.770 4.120 3.801 4.465 . 0 0 "[ . 1 . 2]" 1
745 1 33 ASN HA 1 35 TYR H . . 4.700 3.564 3.021 3.939 . 0 0 "[ . 1 . 2]" 1
746 1 33 ASN HA 1 35 TYR QD . . 4.020 3.252 2.595 4.100 0.080 6 0 "[ . 1 . 2]" 1
747 1 33 ASN HA 1 35 TYR QE . . 3.610 2.632 2.089 3.362 . 0 0 "[ . 1 . 2]" 1
748 1 33 ASN HA 1 36 ARG H . . 5.350 4.021 3.679 4.362 . 0 0 "[ . 1 . 2]" 1
749 1 33 ASN HA 1 36 ARG QD . . 4.730 3.791 2.695 4.683 . 0 0 "[ . 1 . 2]" 1
750 1 33 ASN HB3 1 34 MET H . . 4.790 4.132 3.810 4.487 . 0 0 "[ . 1 . 2]" 1
751 1 33 ASN HD21 1 34 MET H . . 5.500 5.124 4.796 5.569 0.069 13 0 "[ . 1 . 2]" 1
752 1 34 MET H 1 34 MET HB2 . . 4.000 3.625 3.518 3.829 . 0 0 "[ . 1 . 2]" 1
753 1 34 MET H 1 34 MET HB3 . . 3.640 2.611 2.327 3.338 . 0 0 "[ . 1 . 2]" 1
754 1 34 MET H 1 34 MET ME . . 5.500 3.846 2.958 4.568 . 0 0 "[ . 1 . 2]" 1
755 1 34 MET H 1 34 MET HG2 . . 3.730 2.322 1.981 2.794 . 0 0 "[ . 1 . 2]" 1
756 1 34 MET H 1 34 MET HG3 . . 4.220 3.369 2.801 3.933 . 0 0 "[ . 1 . 2]" 1
757 1 34 MET H 1 35 TYR H . . 4.560 2.893 2.224 3.204 . 0 0 "[ . 1 . 2]" 1
758 1 34 MET H 1 35 TYR QD . . 5.370 3.788 2.699 4.530 . 0 0 "[ . 1 . 2]" 1
759 1 34 MET H 1 35 TYR QE . . 5.410 4.837 4.133 5.494 0.084 2 0 "[ . 1 . 2]" 1
760 1 34 MET HA 1 34 MET ME . . 4.900 4.327 4.014 4.562 . 0 0 "[ . 1 . 2]" 1
761 1 34 MET HA 1 36 ARG H . . 4.990 3.817 3.529 4.202 . 0 0 "[ . 1 . 2]" 1
762 1 34 MET HA 1 37 TYR H . . 4.490 3.796 3.456 4.158 . 0 0 "[ . 1 . 2]" 1
763 1 34 MET HA 1 37 TYR QD . . 3.870 2.900 2.317 3.407 . 0 0 "[ . 1 . 2]" 1
764 1 34 MET HA 1 37 TYR QE . . 4.090 3.660 3.040 4.172 0.082 4 0 "[ . 1 . 2]" 1
765 1 34 MET HB2 1 34 MET ME . . 3.490 2.921 2.267 3.324 . 0 0 "[ . 1 . 2]" 1
766 1 34 MET HB2 1 35 TYR H . . 4.880 4.129 3.828 4.495 . 0 0 "[ . 1 . 2]" 1
767 1 34 MET HB2 1 37 TYR H . . 5.500 5.092 4.615 5.572 0.072 3 0 "[ . 1 . 2]" 1
768 1 34 MET HB3 1 34 MET ME . . 3.730 2.292 2.075 2.792 . 0 0 "[ . 1 . 2]" 1
769 1 34 MET HB3 1 35 TYR H . . 5.280 4.317 4.071 4.651 . 0 0 "[ . 1 . 2]" 1
770 1 34 MET ME 1 34 MET HG3 . . 3.750 3.195 2.361 3.446 . 0 0 "[ . 1 . 2]" 1
771 1 34 MET HG2 1 35 TYR H . . 4.400 3.221 2.331 4.459 0.059 3 0 "[ . 1 . 2]" 1
772 1 34 MET HG3 1 35 TYR H . . 4.110 3.093 2.266 4.465 0.355 18 0 "[ . 1 . 2]" 1
773 1 35 TYR H 1 35 TYR HB3 . . 3.610 2.581 2.300 3.078 . 0 0 "[ . 1 . 2]" 1
774 1 35 TYR H 1 35 TYR QD . . 3.380 2.301 1.880 2.671 . 0 0 "[ . 1 . 2]" 1
775 1 35 TYR H 1 35 TYR QE . . 4.770 4.081 3.673 4.450 . 0 0 "[ . 1 . 2]" 1
776 1 35 TYR HA 1 35 TYR QD . . 3.840 3.767 3.734 3.802 . 0 0 "[ . 1 . 2]" 1
777 1 35 TYR HA 1 37 TYR H . . 4.570 3.754 3.442 4.279 . 0 0 "[ . 1 . 2]" 1
778 1 35 TYR QD 1 36 ARG H . . 4.970 3.388 2.558 3.880 . 0 0 "[ . 1 . 2]" 1
779 1 35 TYR QD 1 36 ARG HB2 . . 4.820 4.777 3.513 5.183 0.363 18 0 "[ . 1 . 2]" 1
780 1 35 TYR QE 1 36 ARG H . . 5.290 4.214 3.608 4.823 . 0 0 "[ . 1 . 2]" 1
781 1 35 TYR QE 1 36 ARG HA . . 4.760 4.192 3.667 4.830 0.070 4 0 "[ . 1 . 2]" 1
782 1 35 TYR QE 1 36 ARG HB2 . . 4.770 4.764 3.082 5.274 0.504 18 1 "[ . 1 . + 2]" 1
783 1 35 TYR QE 1 36 ARG HB3 . . 5.210 4.925 4.667 5.278 0.068 4 0 "[ . 1 . 2]" 1
784 1 35 TYR QE 1 36 ARG HG2 . . 4.670 2.871 2.258 5.027 0.357 2 0 "[ . 1 . 2]" 1
785 1 35 TYR QE 1 36 ARG HG3 . . 4.940 3.012 2.411 4.649 . 0 0 "[ . 1 . 2]" 1
786 1 36 ARG H 1 36 ARG HB2 . . 3.600 2.395 2.090 2.738 . 0 0 "[ . 1 . 2]" 1
787 1 36 ARG H 1 36 ARG HB3 . . 4.070 3.559 2.927 3.671 . 0 0 "[ . 1 . 2]" 1
788 1 36 ARG H 1 36 ARG QD . . 4.760 3.768 3.490 4.134 . 0 0 "[ . 1 . 2]" 1
789 1 36 ARG H 1 37 TYR H . . 3.460 2.551 2.130 2.770 . 0 0 "[ . 1 . 2]" 1
790 1 36 ARG H 1 37 TYR QE . . 5.500 5.033 4.686 5.323 . 0 0 "[ . 1 . 2]" 1
791 1 36 ARG HA 1 36 ARG QD . . 4.880 4.051 2.451 4.400 . 0 0 "[ . 1 . 2]" 1
792 1 36 ARG HA 1 36 ARG HG2 . . 3.730 2.667 2.295 3.496 . 0 0 "[ . 1 . 2]" 1
793 1 36 ARG HA 1 36 ARG HG3 . . 4.200 3.063 2.193 3.903 . 0 0 "[ . 1 . 2]" 1
794 1 36 ARG HA 1 78 PHE QE . . 4.550 4.306 3.884 4.626 0.076 18 0 "[ . 1 . 2]" 1
795 1 36 ARG HB2 1 37 TYR H . . 4.380 3.376 2.823 3.809 . 0 0 "[ . 1 . 2]" 1
796 1 36 ARG HB2 1 37 TYR QD . . 3.870 3.287 2.756 4.146 0.276 2 0 "[ . 1 . 2]" 1
797 1 36 ARG HB2 1 37 TYR QE . . 4.620 3.408 2.837 4.276 . 0 0 "[ . 1 . 2]" 1
798 1 36 ARG HB2 1 78 PHE QE . . 5.060 4.082 2.756 4.775 . 0 0 "[ . 1 . 2]" 1
799 1 36 ARG HB3 1 36 ARG HE . . 4.840 3.169 2.285 4.470 . 0 0 "[ . 1 . 2]" 1
800 1 36 ARG HB3 1 37 TYR H . . 4.800 4.121 3.290 4.376 . 0 0 "[ . 1 . 2]" 1
801 1 36 ARG HB3 1 78 PHE QD . . 4.730 3.263 2.812 3.933 . 0 0 "[ . 1 . 2]" 1
802 1 36 ARG HB3 1 78 PHE QE . . 4.420 2.853 2.245 3.476 . 0 0 "[ . 1 . 2]" 1
803 1 37 TYR H 1 37 TYR QB . . 3.460 2.448 2.319 2.569 . 0 0 "[ . 1 . 2]" 1
804 1 37 TYR H 1 37 TYR QD . . 4.100 3.313 2.937 3.590 . 0 0 "[ . 1 . 2]" 1
805 1 37 TYR H 1 37 TYR QE . . 5.500 4.814 4.398 5.157 . 0 0 "[ . 1 . 2]" 1
806 1 37 TYR HA 1 37 TYR QD . . 3.290 2.289 2.137 2.464 . 0 0 "[ . 1 . 2]" 1
807 1 37 TYR HA 1 37 TYR QE . . 4.770 4.606 4.441 4.770 . 0 0 "[ . 1 . 2]" 1
808 1 37 TYR HA 1 38 PRO HD2 . . 4.030 2.869 2.374 3.290 . 0 0 "[ . 1 . 2]" 1
809 1 37 TYR HA 1 38 PRO HG3 . . 4.860 4.666 4.236 4.906 0.046 9 0 "[ . 1 . 2]" 1
810 1 37 TYR HA 1 78 PHE QE . . 4.770 3.924 3.539 4.286 . 0 0 "[ . 1 . 2]" 1
811 1 37 TYR HA 1 86 MET ME . . 5.330 5.179 4.697 5.429 0.099 19 0 "[ . 1 . 2]" 1
812 1 37 TYR HA 1 86 MET HG3 . . 5.250 4.854 3.451 5.326 0.076 4 0 "[ . 1 . 2]" 1
813 1 37 TYR QB 1 38 PRO HD2 . . 5.500 2.111 1.968 2.238 . 0 0 "[ . 1 . 2]" 1
814 1 37 TYR QB 1 86 MET HA . . 4.990 4.199 3.652 4.720 . 0 0 "[ . 1 . 2]" 1
815 1 37 TYR QB 1 86 MET HG2 . . 4.730 3.343 2.184 4.564 . 0 0 "[ . 1 . 2]" 1
816 1 37 TYR QB 1 86 MET HG3 . . 5.010 4.145 2.807 5.040 0.030 19 0 "[ . 1 . 2]" 1
817 1 37 TYR QB 1 89 VAL QG . . 3.940 2.692 2.355 3.086 . 0 0 "[ . 1 . 2]" 1
818 1 37 TYR QD 1 78 PHE QE . . 4.060 3.158 2.874 3.380 . 0 0 "[ . 1 . 2]" 1
819 1 37 TYR QD 1 86 MET HA . . 4.400 4.158 3.766 4.467 0.067 17 0 "[ . 1 . 2]" 1
820 1 37 TYR QD 1 86 MET HG2 . . 5.490 3.251 2.677 4.448 . 0 0 "[ . 1 . 2]" 1
821 1 37 TYR QD 1 89 VAL QG . . 4.140 2.478 2.094 2.995 . 0 0 "[ . 1 . 2]" 1
822 1 37 TYR QE 1 78 PHE QD . . 4.810 3.064 2.673 3.528 . 0 0 "[ . 1 . 2]" 1
823 1 37 TYR QE 1 78 PHE QE . . 3.960 4.029 3.578 4.074 0.114 14 0 "[ . 1 . 2]" 1
824 1 37 TYR QE 1 82 ASP H . . 5.500 5.583 5.515 5.608 0.108 17 0 "[ . 1 . 2]" 1
825 1 37 TYR QE 1 82 ASP HA . . 4.210 3.704 3.494 3.929 . 0 0 "[ . 1 . 2]" 1
826 1 37 TYR QE 1 82 ASP HB2 . . 4.380 4.068 3.842 4.310 . 0 0 "[ . 1 . 2]" 1
827 1 37 TYR QE 1 82 ASP HB3 . . 4.040 2.432 2.229 2.771 . 0 0 "[ . 1 . 2]" 1
828 1 37 TYR QE 1 85 MET H . . 5.500 5.300 4.756 5.582 0.082 8 0 "[ . 1 . 2]" 1
829 1 37 TYR QE 1 85 MET HB2 . . 4.330 3.232 2.470 3.645 . 0 0 "[ . 1 . 2]" 1
830 1 37 TYR QE 1 85 MET HB3 . . 3.720 3.136 2.240 3.588 . 0 0 "[ . 1 . 2]" 1
831 1 37 TYR QE 1 85 MET HG3 . . 4.720 4.463 3.572 4.817 0.097 19 0 "[ . 1 . 2]" 1
832 1 37 TYR QE 1 86 MET H . . 5.500 4.358 3.838 4.716 . 0 0 "[ . 1 . 2]" 1
833 1 37 TYR QE 1 86 MET ME . . 4.790 3.641 3.210 4.156 . 0 0 "[ . 1 . 2]" 1
834 1 37 TYR QE 1 86 MET HG2 . . 4.990 3.884 3.228 4.819 . 0 0 "[ . 1 . 2]" 1
835 1 37 TYR QE 1 86 MET HG3 . . 4.730 3.195 2.670 4.105 . 0 0 "[ . 1 . 2]" 1
836 1 37 TYR QE 1 89 VAL QG . . 4.890 3.653 3.007 4.427 . 0 0 "[ . 1 . 2]" 1
837 1 38 PRO HA 1 67 HIS HE1 . . 4.350 3.587 2.934 4.409 0.059 15 0 "[ . 1 . 2]" 1
838 1 38 PRO HB2 1 39 ASN H . . 4.320 2.794 2.506 3.235 . 0 0 "[ . 1 . 2]" 1
839 1 38 PRO HB2 1 39 ASN HA . . 5.160 4.415 4.092 4.660 . 0 0 "[ . 1 . 2]" 1
840 1 38 PRO HB2 1 40 GLN H . . 3.460 2.366 1.972 2.978 . 0 0 "[ . 1 . 2]" 1
841 1 38 PRO HB2 1 41 VAL MG1 . . 4.680 3.986 3.056 4.210 . 0 0 "[ . 1 . 2]" 1
842 1 38 PRO HB2 1 63 THR MG . . 4.080 3.645 3.077 4.171 0.091 19 0 "[ . 1 . 2]" 1
843 1 38 PRO HB3 1 39 ASN H . . 3.880 3.458 2.845 3.783 . 0 0 "[ . 1 . 2]" 1
844 1 38 PRO HB3 1 40 GLN H . . 3.900 3.698 2.835 3.975 0.075 11 0 "[ . 1 . 2]" 1
845 1 38 PRO HB3 1 41 VAL MG1 . . 5.120 5.122 4.304 5.223 0.103 17 0 "[ . 1 . 2]" 1
846 1 38 PRO HB3 1 63 THR MG . . 4.660 3.816 3.002 4.233 . 0 0 "[ . 1 . 2]" 1
847 1 38 PRO HD2 1 90 VAL QG . . 5.500 3.384 2.657 4.034 . 0 0 "[ . 1 . 2]" 1
848 1 38 PRO HD3 1 67 HIS HD2 . . 4.790 3.397 2.224 4.854 0.064 8 0 "[ . 1 . 2]" 1
849 1 38 PRO HD3 1 90 VAL QG . . 4.460 4.108 3.399 4.463 0.003 5 0 "[ . 1 . 2]" 1
850 1 38 PRO HG2 1 90 VAL QG . . 4.700 3.109 2.361 4.002 . 0 0 "[ . 1 . 2]" 1
851 1 38 PRO HG3 1 67 HIS HB2 . . 5.180 3.637 2.339 4.347 . 0 0 "[ . 1 . 2]" 1
852 1 38 PRO HG3 1 67 HIS HD2 . . 5.110 4.050 2.555 4.883 . 0 0 "[ . 1 . 2]" 1
853 1 38 PRO HG3 1 90 VAL QG . . 4.970 3.559 2.283 4.810 . 0 0 "[ . 1 . 2]" 1
854 1 39 ASN H 1 39 ASN HD21 . . 5.500 4.729 3.584 5.250 . 0 0 "[ . 1 . 2]" 1
855 1 39 ASN H 1 40 GLN H . . 3.020 2.146 1.826 2.350 . 0 0 "[ . 1 . 2]" 1
856 1 39 ASN H 1 40 GLN HA . . 4.820 4.833 4.568 4.905 0.085 1 0 "[ . 1 . 2]" 1
857 1 39 ASN H 1 40 GLN HG2 . . 5.500 4.392 3.764 5.426 . 0 0 "[ . 1 . 2]" 1
858 1 39 ASN HA 1 39 ASN HD22 . . 5.500 4.532 3.692 5.477 . 0 0 "[ . 1 . 2]" 1
859 1 39 ASN HA 1 93 MET ME . . 3.460 3.231 2.429 3.550 0.090 19 0 "[ . 1 . 2]" 1
860 1 39 ASN QB 1 40 GLN H . . 5.480 3.368 3.033 3.896 . 0 0 "[ . 1 . 2]" 1
861 1 39 ASN QB 1 93 MET ME . . 5.500 4.721 4.150 5.089 . 0 0 "[ . 1 . 2]" 1
862 1 40 GLN H 1 40 GLN HG2 . . 4.780 3.527 3.209 4.112 . 0 0 "[ . 1 . 2]" 1
863 1 40 GLN H 1 40 GLN HG3 . . 4.440 2.451 2.270 2.722 . 0 0 "[ . 1 . 2]" 1
864 1 40 GLN H 1 41 VAL H . . 4.780 4.418 4.347 4.577 . 0 0 "[ . 1 . 2]" 1
865 1 40 GLN H 1 41 VAL HA . . 5.500 4.777 4.596 5.052 . 0 0 "[ . 1 . 2]" 1
866 1 40 GLN H 1 41 VAL MG1 . . 5.160 4.130 3.842 4.706 . 0 0 "[ . 1 . 2]" 1
867 1 40 GLN H 1 41 VAL MG2 . . 5.500 5.216 4.694 5.572 0.072 8 0 "[ . 1 . 2]" 1
868 1 40 GLN H 1 93 MET ME . . 4.680 3.626 3.135 4.303 . 0 0 "[ . 1 . 2]" 1
869 1 40 GLN HA 1 40 GLN HG2 . . 3.930 3.311 3.009 3.465 . 0 0 "[ . 1 . 2]" 1
870 1 40 GLN HA 1 41 VAL H . . 3.140 2.569 2.398 2.795 . 0 0 "[ . 1 . 2]" 1
871 1 40 GLN HA 1 41 VAL MG1 . . 4.590 3.522 3.268 4.207 . 0 0 "[ . 1 . 2]" 1
872 1 40 GLN HA 1 41 VAL MG2 . . 4.540 3.358 2.933 3.844 . 0 0 "[ . 1 . 2]" 1
873 1 40 GLN HA 1 93 MET ME . . 4.510 4.091 3.452 4.581 0.071 11 0 "[ . 1 . 2]" 1
874 1 40 GLN HB2 1 40 GLN HE21 . . 4.700 2.913 2.374 4.036 . 0 0 "[ . 1 . 2]" 1
875 1 40 GLN HB2 1 40 GLN HE22 . . 4.650 3.909 3.672 4.403 . 0 0 "[ . 1 . 2]" 1
876 1 40 GLN HB2 1 41 VAL H . . 4.230 2.808 2.494 3.117 . 0 0 "[ . 1 . 2]" 1
877 1 40 GLN HB2 1 41 VAL MG2 . . 4.620 4.645 4.311 4.722 0.102 16 0 "[ . 1 . 2]" 1
878 1 40 GLN HB3 1 40 GLN HE21 . . 4.600 2.526 1.938 3.511 . 0 0 "[ . 1 . 2]" 1
879 1 40 GLN HB3 1 41 VAL H . . 4.270 2.800 2.348 2.977 . 0 0 "[ . 1 . 2]" 1
880 1 40 GLN HG2 1 41 VAL H . . 4.940 4.930 4.536 5.012 0.072 16 0 "[ . 1 . 2]" 1
881 1 41 VAL H 1 41 VAL MG1 . . 4.260 3.243 3.084 3.682 . 0 0 "[ . 1 . 2]" 1
882 1 41 VAL H 1 41 VAL MG2 . . 3.830 2.290 2.139 2.418 . 0 0 "[ . 1 . 2]" 1
883 1 41 VAL H 1 63 THR MG . . 5.500 4.860 4.426 5.581 0.081 11 0 "[ . 1 . 2]" 1
884 1 41 VAL HA 1 41 VAL MG1 . . 3.540 2.292 2.148 2.393 . 0 0 "[ . 1 . 2]" 1
885 1 41 VAL HA 1 42 TYR H . . 3.350 2.412 2.251 2.537 . 0 0 "[ . 1 . 2]" 1
886 1 41 VAL HA 1 42 TYR QD . . 4.420 3.894 3.356 4.492 0.072 3 0 "[ . 1 . 2]" 1
887 1 41 VAL HA 1 63 THR MG . . 3.430 2.470 2.105 3.246 . 0 0 "[ . 1 . 2]" 1
888 1 41 VAL HA 1 90 VAL QG . . 5.200 4.057 3.513 4.916 . 0 0 "[ . 1 . 2]" 1
889 1 41 VAL HA 1 93 MET ME . . 5.230 4.430 3.972 4.958 . 0 0 "[ . 1 . 2]" 1
890 1 41 VAL HB 1 63 THR MG . . 4.150 3.460 2.885 4.200 0.050 12 0 "[ . 1 . 2]" 1
891 1 41 VAL HB 1 90 VAL QG . . 5.430 3.550 3.032 4.670 . 0 0 "[ . 1 . 2]" 1
892 1 41 VAL MG1 1 42 TYR H . . 4.690 3.607 3.018 3.840 . 0 0 "[ . 1 . 2]" 1
893 1 41 VAL MG1 1 63 THR MG . . 3.490 2.157 2.028 2.384 . 0 0 "[ . 1 . 2]" 1
894 1 41 VAL MG1 1 93 MET H . . 5.010 4.262 4.028 4.633 . 0 0 "[ . 1 . 2]" 1
895 1 41 VAL MG1 1 93 MET HA . . 4.940 4.434 4.154 4.998 0.058 11 0 "[ . 1 . 2]" 1
896 1 41 VAL MG1 1 93 MET HB2 . . 3.610 2.368 2.198 2.578 . 0 0 "[ . 1 . 2]" 1
897 1 41 VAL MG1 1 93 MET HB3 . . 3.890 2.455 2.212 3.199 . 0 0 "[ . 1 . 2]" 1
898 1 41 VAL MG1 1 93 MET ME . . 3.060 2.095 1.933 2.453 . 0 0 "[ . 1 . 2]" 1
899 1 41 VAL MG1 1 93 MET HG3 . . 5.340 4.134 3.755 4.503 . 0 0 "[ . 1 . 2]" 1
900 1 41 VAL MG1 1 94 CYS H . . 4.290 3.062 2.461 3.526 . 0 0 "[ . 1 . 2]" 1
901 1 41 VAL MG1 1 94 CYS HA . . 4.490 3.644 2.889 4.208 . 0 0 "[ . 1 . 2]" 1
902 1 41 VAL MG2 1 42 TYR H . . 5.130 3.689 3.260 4.350 . 0 0 "[ . 1 . 2]" 1
903 1 41 VAL MG2 1 43 TYR QD . . 4.230 2.687 2.260 4.165 . 0 0 "[ . 1 . 2]" 1
904 1 41 VAL MG2 1 43 TYR QE . . 4.450 3.062 2.427 4.030 . 0 0 "[ . 1 . 2]" 1
905 1 41 VAL MG2 1 63 THR MG . . 5.500 4.331 4.071 4.684 . 0 0 "[ . 1 . 2]" 1
906 1 41 VAL MG2 1 93 MET HB2 . . 4.060 3.487 2.834 4.072 0.012 20 0 "[ . 1 . 2]" 1
907 1 41 VAL MG2 1 93 MET HB3 . . 4.430 2.751 2.261 3.275 . 0 0 "[ . 1 . 2]" 1
908 1 41 VAL MG2 1 93 MET ME . . 4.990 3.764 2.840 4.236 . 0 0 "[ . 1 . 2]" 1
909 1 41 VAL MG2 1 94 CYS H . . 5.500 3.358 2.951 3.834 . 0 0 "[ . 1 . 2]" 1
910 1 41 VAL MG2 1 94 CYS HA . . 3.750 2.158 1.991 2.536 . 0 0 "[ . 1 . 2]" 1
911 1 41 VAL MG2 1 97 GLN H . . 5.200 3.965 3.571 4.168 . 0 0 "[ . 1 . 2]" 1
912 1 41 VAL MG2 1 97 GLN HA . . 4.920 4.898 4.465 5.025 0.105 9 0 "[ . 1 . 2]" 1
913 1 41 VAL MG2 1 97 GLN HB2 . . 4.580 2.816 2.399 3.119 . 0 0 "[ . 1 . 2]" 1
914 1 41 VAL MG2 1 97 GLN QE . . 5.500 3.673 2.318 4.799 . 0 0 "[ . 1 . 2]" 1
915 1 41 VAL MG2 1 97 GLN HG2 . . 4.990 2.987 2.397 3.676 . 0 0 "[ . 1 . 2]" 1
916 1 42 TYR H 1 42 TYR HB2 . . 3.370 2.342 2.176 2.463 . 0 0 "[ . 1 . 2]" 1
917 1 42 TYR H 1 42 TYR QD . . 4.080 3.108 2.770 3.667 . 0 0 "[ . 1 . 2]" 1
918 1 42 TYR H 1 42 TYR QE . . 5.380 5.095 4.786 5.440 0.060 3 0 "[ . 1 . 2]" 1
919 1 42 TYR H 1 43 TYR H . . 4.500 4.445 4.050 4.564 0.064 10 0 "[ . 1 . 2]" 1
920 1 42 TYR H 1 43 TYR HA . . 5.500 5.172 4.949 5.363 . 0 0 "[ . 1 . 2]" 1
921 1 42 TYR H 1 43 TYR QD . . 5.500 3.929 3.514 4.098 . 0 0 "[ . 1 . 2]" 1
922 1 42 TYR H 1 43 TYR QE . . 5.500 5.509 5.074 5.596 0.096 18 0 "[ . 1 . 2]" 1
923 1 42 TYR H 1 62 ILE MG . . 5.500 4.402 4.080 4.864 . 0 0 "[ . 1 . 2]" 1
924 1 42 TYR H 1 63 THR H . . 5.110 4.415 3.945 5.154 0.044 11 0 "[ . 1 . 2]" 1
925 1 42 TYR H 1 63 THR HA . . 4.820 4.163 3.539 4.869 0.049 11 0 "[ . 1 . 2]" 1
926 1 42 TYR H 1 63 THR HB . . 4.620 4.068 3.832 4.611 . 0 0 "[ . 1 . 2]" 1
927 1 42 TYR H 1 63 THR HG1 . . 3.970 2.546 1.828 3.148 . 0 0 "[ . 1 . 2]" 1
928 1 42 TYR H 1 63 THR MG . . 4.420 3.234 2.723 4.280 . 0 0 "[ . 1 . 2]" 1
929 1 42 TYR HA 1 42 TYR QD . . 4.190 2.612 2.222 2.947 . 0 0 "[ . 1 . 2]" 1
930 1 42 TYR HA 1 42 TYR QE . . 4.570 4.492 4.380 4.615 0.045 15 0 "[ . 1 . 2]" 1
931 1 42 TYR HA 1 43 TYR H . . 3.130 2.255 2.043 2.392 . 0 0 "[ . 1 . 2]" 1
932 1 42 TYR HA 1 43 TYR QD . . 5.090 3.144 2.646 3.353 . 0 0 "[ . 1 . 2]" 1
933 1 42 TYR HA 1 62 ILE MG . . 5.150 4.842 4.388 5.248 0.098 19 0 "[ . 1 . 2]" 1
934 1 42 TYR HB2 1 43 TYR H . . 4.270 4.110 3.782 4.321 0.051 18 0 "[ . 1 . 2]" 1
935 1 42 TYR HB2 1 43 TYR HA . . 4.520 4.731 4.577 5.083 0.563 18 2 "[ . 1 .- + 2]" 1
936 1 42 TYR HB2 1 62 ILE MG . . 3.650 2.478 2.154 2.878 . 0 0 "[ . 1 . 2]" 1
937 1 42 TYR HB2 1 63 THR H . . 4.790 3.822 3.476 4.391 . 0 0 "[ . 1 . 2]" 1
938 1 42 TYR HB3 1 43 TYR H . . 4.230 3.075 2.612 3.638 . 0 0 "[ . 1 . 2]" 1
939 1 42 TYR HB3 1 62 ILE HB . . 5.020 4.430 3.691 5.040 0.020 10 0 "[ . 1 . 2]" 1
940 1 42 TYR QD 1 43 TYR H . . 4.790 3.646 3.247 3.899 . 0 0 "[ . 1 . 2]" 1
941 1 42 TYR QD 1 62 ILE MG . . 4.540 3.183 2.297 3.646 . 0 0 "[ . 1 . 2]" 1
942 1 42 TYR QD 1 63 THR H . . 5.240 4.286 3.248 4.630 . 0 0 "[ . 1 . 2]" 1
943 1 42 TYR QD 1 63 THR HA . . 3.500 2.389 2.073 2.789 . 0 0 "[ . 1 . 2]" 1
944 1 42 TYR QD 1 63 THR MG . . 4.130 2.917 2.447 3.960 . 0 0 "[ . 1 . 2]" 1
945 1 42 TYR QD 1 66 GLN H . . 5.380 4.992 4.449 5.441 0.061 13 0 "[ . 1 . 2]" 1
946 1 42 TYR QD 1 66 GLN HB3 . . 5.360 4.435 3.659 5.404 0.044 5 0 "[ . 1 . 2]" 1
947 1 42 TYR QD 1 66 GLN HG2 . . 4.970 3.990 3.455 4.924 . 0 0 "[ . 1 . 2]" 1
948 1 42 TYR QE 1 62 ILE MG . . 4.880 4.436 3.489 4.942 0.062 17 0 "[ . 1 . 2]" 1
949 1 42 TYR QE 1 63 THR HA . . 3.810 3.770 2.718 3.911 0.101 5 0 "[ . 1 . 2]" 1
950 1 42 TYR QE 1 63 THR MG . . 4.920 3.913 3.460 4.932 0.012 12 0 "[ . 1 . 2]" 1
951 1 42 TYR QE 1 66 GLN HB2 . . 3.700 3.171 2.706 3.692 . 0 0 "[ . 1 . 2]" 1
952 1 42 TYR QE 1 66 GLN HB3 . . 3.810 3.083 2.402 3.881 0.071 5 0 "[ . 1 . 2]" 1
953 1 42 TYR QE 1 66 GLN HG2 . . 4.210 2.911 2.139 4.164 . 0 0 "[ . 1 . 2]" 1
954 1 42 TYR QE 1 66 GLN HG3 . . 4.930 3.560 2.423 4.530 . 0 0 "[ . 1 . 2]" 1
955 1 43 TYR H 1 43 TYR QD . . 4.050 2.929 2.377 3.316 . 0 0 "[ . 1 . 2]" 1
956 1 43 TYR H 1 43 TYR QE . . 5.450 4.333 3.887 4.686 . 0 0 "[ . 1 . 2]" 1
957 1 43 TYR H 1 44 ARG H . . 5.430 4.317 4.126 4.511 . 0 0 "[ . 1 . 2]" 1
958 1 43 TYR H 1 62 ILE MG . . 5.500 5.200 4.520 5.564 0.064 1 0 "[ . 1 . 2]" 1
959 1 43 TYR HA 1 44 ARG H . . 3.410 2.810 2.316 3.090 . 0 0 "[ . 1 . 2]" 1
960 1 43 TYR HA 1 44 ARG QB . . 4.910 4.521 4.274 4.737 . 0 0 "[ . 1 . 2]" 1
961 1 43 TYR HB3 1 44 ARG H . . 4.430 3.522 3.396 3.917 . 0 0 "[ . 1 . 2]" 1
962 1 43 TYR HB3 1 55 PHE QE . . 4.720 3.211 2.136 4.099 . 0 0 "[ . 1 . 2]" 1
963 1 43 TYR QD 1 44 ARG H . . 5.010 2.900 2.153 3.882 . 0 0 "[ . 1 . 2]" 1
964 1 43 TYR QD 1 45 PRO HA . . 4.560 3.509 2.920 3.979 . 0 0 "[ . 1 . 2]" 1
965 1 43 TYR QE 1 45 PRO HA . . 3.880 3.598 3.051 3.941 0.061 1 0 "[ . 1 . 2]" 1
966 1 43 TYR QE 1 46 VAL H . . 5.500 4.852 3.976 5.556 0.056 17 0 "[ . 1 . 2]" 1
967 1 43 TYR QE 1 97 GLN HB3 . . 4.420 3.814 3.044 4.381 . 0 0 "[ . 1 . 2]" 1
968 1 43 TYR QE 1 97 GLN QE . . 5.500 4.165 3.046 4.953 . 0 0 "[ . 1 . 2]" 1
969 1 43 TYR QE 1 98 TYR HA . . 4.530 4.538 3.655 4.646 0.116 7 0 "[ . 1 . 2]" 1
970 1 43 TYR QE 1 101 GLU HG2 . . 5.030 4.052 2.871 5.142 0.112 6 0 "[ . 1 . 2]" 1
971 1 43 TYR QE 1 101 GLU HG3 . . 5.320 3.170 2.086 5.092 . 0 0 "[ . 1 . 2]" 1
972 1 44 ARG H 1 44 ARG HD2 . . 4.540 3.786 1.881 5.369 0.829 19 1 "[ . 1 . +2]" 1
973 1 44 ARG H 1 55 PHE QD . . 5.500 3.969 3.425 4.704 . 0 0 "[ . 1 . 2]" 1
974 1 44 ARG H 1 55 PHE QE . . 5.500 2.652 1.994 3.700 . 0 0 "[ . 1 . 2]" 1
975 1 44 ARG HA 1 44 ARG HD2 . . 4.940 4.242 2.252 4.936 . 0 0 "[ . 1 . 2]" 1
976 1 44 ARG HA 1 44 ARG HD3 . . 4.950 4.507 2.878 5.040 0.090 9 0 "[ . 1 . 2]" 1
977 1 44 ARG HA 1 45 PRO HD2 . . 4.010 2.580 2.379 2.915 . 0 0 "[ . 1 . 2]" 1
978 1 44 ARG HA 1 45 PRO HD3 . . 3.830 2.518 2.232 2.712 . 0 0 "[ . 1 . 2]" 1
979 1 44 ARG HA 1 45 PRO HG2 . . 5.480 4.698 4.580 4.951 . 0 0 "[ . 1 . 2]" 1
980 1 44 ARG HA 1 45 PRO HG3 . . 4.810 4.717 4.514 4.852 0.042 1 0 "[ . 1 . 2]" 1
981 1 44 ARG QB 1 45 PRO HD2 . . 4.770 2.187 2.061 2.431 . 0 0 "[ . 1 . 2]" 1
982 1 44 ARG QB 1 45 PRO HD3 . . 4.900 3.455 3.077 3.730 . 0 0 "[ . 1 . 2]" 1
983 1 44 ARG HD3 1 55 PHE QD . . 4.760 3.492 2.164 4.987 0.227 18 0 "[ . 1 . 2]" 1
984 1 44 ARG HD3 1 55 PHE QE . . 4.860 4.188 2.458 5.738 0.878 18 3 "[ .* 1 - + 2]" 1
985 1 44 ARG QG 1 55 PHE QD . . 5.470 3.678 2.274 4.991 . 0 0 "[ . 1 . 2]" 1
986 1 44 ARG QG 1 55 PHE QE . . 4.930 3.723 2.099 4.844 . 0 0 "[ . 1 . 2]" 1
987 1 45 PRO HA 1 46 VAL H . . 3.280 2.279 2.068 2.529 . 0 0 "[ . 1 . 2]" 1
988 1 45 PRO HA 1 46 VAL QG . . 4.980 3.587 3.209 4.352 . 0 0 "[ . 1 . 2]" 1
989 1 45 PRO HB3 1 46 VAL H . . 4.440 3.671 3.491 3.884 . 0 0 "[ . 1 . 2]" 1
990 1 46 VAL H 1 46 VAL HB . . 3.750 3.010 1.915 3.683 . 0 0 "[ . 1 . 2]" 1
991 1 46 VAL H 1 46 VAL QG . . 4.210 2.104 1.727 2.867 . 0 0 "[ . 1 . 2]" 1
992 1 46 VAL H 1 49 TYR QD . . 5.500 5.265 4.538 5.590 0.090 19 0 "[ . 1 . 2]" 1
993 1 46 VAL H 1 101 GLU HB2 . . 5.500 4.423 3.592 5.003 . 0 0 "[ . 1 . 2]" 1
994 1 46 VAL HA 1 49 TYR QD . . 4.040 2.797 2.067 3.246 . 0 0 "[ . 1 . 2]" 1
995 1 46 VAL HA 1 49 TYR QE . . 4.520 4.103 2.074 4.625 0.105 3 0 "[ . 1 . 2]" 1
996 1 46 VAL HB 1 102 SER HA . . 5.120 3.957 3.046 5.177 0.057 8 0 "[ . 1 . 2]" 1
997 1 46 VAL QG 1 49 TYR QD . . 5.070 3.264 2.119 4.308 . 0 0 "[ . 1 . 2]" 1
998 1 46 VAL QG 1 98 TYR HA . . 5.500 3.593 3.035 4.910 . 0 0 "[ . 1 . 2]" 1
999 1 46 VAL QG 1 98 TYR QD . . 4.630 2.472 1.990 3.782 . 0 0 "[ . 1 . 2]" 1
1000 1 46 VAL QG 1 98 TYR QE . . 3.880 2.347 1.978 2.840 . 0 0 "[ . 1 . 2]" 1
1001 1 46 VAL QG 1 101 GLU H . . 5.500 4.230 3.811 4.955 . 0 0 "[ . 1 . 2]" 1
1002 1 46 VAL QG 1 101 GLU HA . . 5.140 4.042 3.850 4.329 . 0 0 "[ . 1 . 2]" 1
1003 1 46 VAL QG 1 101 GLU HB2 . . 4.230 2.689 2.263 3.263 . 0 0 "[ . 1 . 2]" 1
1004 1 46 VAL QG 1 101 GLU HB3 . . 4.060 2.538 1.983 2.965 . 0 0 "[ . 1 . 2]" 1
1005 1 46 VAL QG 1 101 GLU HG3 . . 5.410 3.998 2.861 4.488 . 0 0 "[ . 1 . 2]" 1
1006 1 46 VAL QG 1 102 SER HA . . 3.860 2.194 1.946 2.703 . 0 0 "[ . 1 . 2]" 1
1007 1 46 VAL QG 1 102 SER QB . . 4.780 2.426 1.956 3.363 . 0 0 "[ . 1 . 2]" 1
1008 1 46 VAL QG 1 104 ALA MB . . 5.500 4.315 3.971 4.642 . 0 0 "[ . 1 . 2]" 1
1009 1 46 VAL QG 1 105 TYR H . . 5.420 3.845 3.358 4.563 . 0 0 "[ . 1 . 2]" 1
1010 1 46 VAL QG 1 105 TYR HB2 . . 4.160 2.692 2.204 3.475 . 0 0 "[ . 1 . 2]" 1
1011 1 46 VAL QG 1 105 TYR HB3 . . 4.030 3.105 2.622 3.758 . 0 0 "[ . 1 . 2]" 1
1012 1 46 VAL QG 1 105 TYR QD . . 4.460 2.996 2.235 3.831 . 0 0 "[ . 1 . 2]" 1
1013 1 46 VAL QG 1 105 TYR QE . . 5.020 4.032 3.041 4.649 . 0 0 "[ . 1 . 2]" 1
1014 1 46 VAL QG 1 106 TYR QE . . 5.500 4.670 3.785 5.339 . 0 0 "[ . 1 . 2]" 1
1015 1 48 GLN HA 1 48 GLN QG . . 3.030 2.388 2.122 3.128 0.098 15 0 "[ . 1 . 2]" 1
1016 1 49 TYR HA 1 49 TYR QD . . 4.440 3.361 2.359 3.794 . 0 0 "[ . 1 . 2]" 1
1017 1 49 TYR QD 1 52 GLN HB2 . . 4.750 4.708 3.663 5.703 0.953 17 1 "[ . 1 . + 2]" 1
1018 1 49 TYR QE 1 51 ASN HA . . 4.740 4.243 3.414 4.829 0.089 13 0 "[ . 1 . 2]" 1
1019 1 49 TYR QE 1 52 GLN HB2 . . 4.630 3.170 2.483 4.611 . 0 0 "[ . 1 . 2]" 1
1020 1 49 TYR QE 1 52 GLN HB3 . . 4.540 3.563 2.330 4.294 . 0 0 "[ . 1 . 2]" 1
1021 1 49 TYR QE 1 52 GLN HG2 . . 4.910 4.553 3.294 5.460 0.550 15 1 "[ . 1 + 2]" 1
1022 1 51 ASN HA 1 52 GLN H . . 3.330 2.260 2.109 2.420 . 0 0 "[ . 1 . 2]" 1
1023 1 51 ASN HA 1 53 ASN H . . 4.800 4.062 3.589 4.352 . 0 0 "[ . 1 . 2]" 1
1024 1 51 ASN HA 1 54 ASN H . . 5.360 4.635 4.330 4.916 . 0 0 "[ . 1 . 2]" 1
1025 1 51 ASN HB2 1 52 GLN H . . 4.420 4.060 2.896 4.462 0.042 12 0 "[ . 1 . 2]" 1
1026 1 51 ASN HB2 1 53 ASN H . . 4.850 4.258 3.369 4.926 0.076 14 0 "[ . 1 . 2]" 1
1027 1 51 ASN HB3 1 52 GLN H . . 3.710 3.637 2.840 4.395 0.685 3 4 "[ +*. - 1 . *]" 1
1028 1 51 ASN HB3 1 53 ASN H . . 4.290 3.815 2.810 4.932 0.642 20 5 "[ *-*. * 1 . +]" 1
1029 1 51 ASN HD21 1 54 ASN H . . 5.500 4.539 3.213 5.275 . 0 0 "[ . 1 . 2]" 1
1030 1 51 ASN HD21 1 54 ASN HD21 . . 4.230 3.374 2.264 4.289 0.059 18 0 "[ . 1 . 2]" 1
1031 1 51 ASN HD21 1 54 ASN HD22 . . 5.500 4.036 2.350 5.518 0.018 15 0 "[ . 1 . 2]" 1
1032 1 51 ASN HD22 1 54 ASN HD21 . . 3.910 3.811 2.454 4.296 0.386 8 0 "[ . 1 . 2]" 1
1033 1 52 GLN H 1 52 GLN HB2 . . 3.720 2.951 2.341 3.630 . 0 0 "[ . 1 . 2]" 1
1034 1 52 GLN H 1 52 GLN HB3 . . 3.660 2.468 2.037 2.957 . 0 0 "[ . 1 . 2]" 1
1035 1 52 GLN H 1 52 GLN HG2 . . 5.400 3.784 2.080 4.492 . 0 0 "[ . 1 . 2]" 1
1036 1 52 GLN H 1 52 GLN HG3 . . 5.500 4.058 2.770 4.700 . 0 0 "[ . 1 . 2]" 1
1037 1 52 GLN H 1 53 ASN H . . 3.320 2.744 2.350 3.017 . 0 0 "[ . 1 . 2]" 1
1038 1 52 GLN H 1 53 ASN HB2 . . 4.980 4.986 4.723 5.067 0.087 7 0 "[ . 1 . 2]" 1
1039 1 52 GLN H 1 98 TYR QE . . 5.390 5.468 5.312 5.495 0.105 16 0 "[ . 1 . 2]" 1
1040 1 52 GLN HB2 1 52 GLN HE22 . . 5.500 4.582 3.608 5.423 . 0 0 "[ . 1 . 2]" 1
1041 1 52 GLN HB2 1 53 ASN H . . 4.180 3.900 3.637 4.204 0.024 11 0 "[ . 1 . 2]" 1
1042 1 52 GLN HB2 1 98 TYR QE . . 4.450 3.117 2.300 3.771 . 0 0 "[ . 1 . 2]" 1
1043 1 52 GLN HB3 1 52 GLN HE22 . . 5.500 4.328 3.689 5.370 . 0 0 "[ . 1 . 2]" 1
1044 1 52 GLN HB3 1 53 ASN H . . 3.610 3.089 2.392 4.181 0.571 17 3 "[ - . 1 . + *]" 1
1045 1 52 GLN HE21 1 53 ASN H . . 5.500 4.691 3.446 5.830 0.330 18 0 "[ . 1 . 2]" 1
1046 1 52 GLN HE21 1 56 VAL QG . . 5.500 3.287 2.113 4.876 . 0 0 "[ . 1 . 2]" 1
1047 1 52 GLN HE22 1 56 VAL QG . . 4.530 3.836 2.568 5.452 0.922 14 2 "[ - . 1 +. 2]" 1
1048 1 52 GLN HG2 1 53 ASN H . . 4.950 3.720 1.965 4.553 . 0 0 "[ . 1 . 2]" 1
1049 1 52 GLN HG2 1 56 VAL QG . . 4.930 3.485 2.074 5.745 0.815 2 3 "[ + . * 1 . - 2]" 1
1050 1 52 GLN HG3 1 53 ASN H . . 5.500 3.937 1.990 5.082 . 0 0 "[ . 1 . 2]" 1
1051 1 53 ASN H 1 53 ASN HB2 . . 3.140 2.447 2.157 2.916 . 0 0 "[ . 1 . 2]" 1
1052 1 53 ASN H 1 53 ASN HB3 . . 3.470 2.813 2.438 3.552 0.082 14 0 "[ . 1 . 2]" 1
1053 1 53 ASN H 1 53 ASN HD21 . . 4.630 4.223 2.356 4.715 0.085 16 0 "[ . 1 . 2]" 1
1054 1 53 ASN H 1 54 ASN H . . 3.610 2.873 2.620 3.222 . 0 0 "[ . 1 . 2]" 1
1055 1 53 ASN H 1 54 ASN HA . . 5.500 5.440 5.244 5.570 0.070 5 0 "[ . 1 . 2]" 1
1056 1 53 ASN H 1 56 VAL H . . 4.900 4.664 4.498 4.807 . 0 0 "[ . 1 . 2]" 1
1057 1 53 ASN H 1 56 VAL QG . . 5.500 4.459 4.117 4.706 . 0 0 "[ . 1 . 2]" 1
1058 1 53 ASN HA 1 53 ASN HD21 . . 4.720 3.663 2.307 4.513 . 0 0 "[ . 1 . 2]" 1
1059 1 53 ASN HA 1 53 ASN HD22 . . 5.020 4.253 3.446 4.804 . 0 0 "[ . 1 . 2]" 1
1060 1 53 ASN HA 1 56 VAL H . . 5.120 3.437 2.948 3.829 . 0 0 "[ . 1 . 2]" 1
1061 1 53 ASN HA 1 56 VAL HB . . 3.650 2.586 2.159 2.969 . 0 0 "[ . 1 . 2]" 1
1062 1 53 ASN HA 1 56 VAL QG . . 4.450 3.030 2.705 3.324 . 0 0 "[ . 1 . 2]" 1
1063 1 53 ASN HB2 1 53 ASN HD21 . . 3.500 3.099 2.103 3.579 0.079 17 0 "[ . 1 . 2]" 1
1064 1 53 ASN HB2 1 53 ASN HD22 . . 4.120 3.877 3.424 4.134 0.014 17 0 "[ . 1 . 2]" 1
1065 1 53 ASN HB2 1 54 ASN H . . 3.590 3.395 2.229 3.693 0.103 10 0 "[ . 1 . 2]" 1
1066 1 53 ASN HB2 1 56 VAL HB . . 5.460 5.080 4.620 5.362 . 0 0 "[ . 1 . 2]" 1
1067 1 53 ASN HB3 1 54 ASN H . . 3.640 2.618 2.200 3.720 0.080 4 0 "[ . 1 . 2]" 1
1068 1 53 ASN HB3 1 54 ASN HA . . 5.320 4.248 3.999 4.737 . 0 0 "[ . 1 . 2]" 1
1069 1 53 ASN HB3 1 56 VAL HB . . 5.310 5.136 4.324 5.413 0.103 6 0 "[ . 1 . 2]" 1
1070 1 53 ASN HD21 1 54 ASN H . . 5.140 3.736 3.031 4.964 . 0 0 "[ . 1 . 2]" 1
1071 1 53 ASN HD21 1 54 ASN HA . . 5.500 4.377 3.007 5.591 0.091 14 0 "[ . 1 . 2]" 1
1072 1 53 ASN HD22 1 54 ASN H . . 5.380 5.097 4.572 5.457 0.077 17 0 "[ . 1 . 2]" 1
1073 1 54 ASN H 1 54 ASN HB2 . . 3.860 2.515 2.035 3.836 . 0 0 "[ . 1 . 2]" 1
1074 1 54 ASN H 1 54 ASN HB3 . . 3.330 3.179 2.251 3.726 0.396 13 0 "[ . 1 . 2]" 1
1075 1 54 ASN H 1 54 ASN HD21 . . 5.040 4.588 3.609 5.100 0.060 15 0 "[ . 1 . 2]" 1
1076 1 54 ASN H 1 54 ASN HD22 . . 5.500 5.165 4.164 5.604 0.104 16 0 "[ . 1 . 2]" 1
1077 1 54 ASN H 1 55 PHE H . . 5.350 2.730 2.449 2.879 . 0 0 "[ . 1 . 2]" 1
1078 1 54 ASN H 1 56 VAL H . . 5.500 4.246 3.976 4.385 . 0 0 "[ . 1 . 2]" 1
1079 1 54 ASN HA 1 54 ASN HD21 . . 4.370 4.119 3.168 4.453 0.083 6 0 "[ . 1 . 2]" 1
1080 1 54 ASN HA 1 54 ASN HD22 . . 5.500 4.480 3.941 5.395 . 0 0 "[ . 1 . 2]" 1
1081 1 54 ASN HA 1 57 HIS H . . 4.610 3.471 3.131 3.812 . 0 0 "[ . 1 . 2]" 1
1082 1 54 ASN HA 1 57 HIS HB2 . . 3.610 3.486 3.109 3.693 0.083 4 0 "[ . 1 . 2]" 1
1083 1 54 ASN HA 1 57 HIS HB3 . . 3.830 3.101 2.526 3.695 . 0 0 "[ . 1 . 2]" 1
1084 1 55 PHE QE 1 56 VAL QG . . 5.500 3.380 2.567 4.094 . 0 0 "[ . 1 . 2]" 1
1085 1 55 PHE QE 1 98 TYR H . . 4.380 4.388 3.575 4.483 0.103 12 0 "[ . 1 . 2]" 1
1086 1 55 PHE QE 1 98 TYR HB2 . . 5.150 2.263 2.032 3.057 . 0 0 "[ . 1 . 2]" 1
1087 1 55 PHE QE 1 98 TYR QD . . 4.670 3.309 2.846 4.573 . 0 0 "[ . 1 . 2]" 1
1088 1 55 PHE HZ 1 98 TYR HB2 . . 4.650 2.895 2.214 3.865 . 0 0 "[ . 1 . 2]" 1
1089 1 56 VAL H 1 57 HIS H . . 4.510 2.937 2.763 3.116 . 0 0 "[ . 1 . 2]" 1
1090 1 56 VAL HA 1 59 CYS H . . 4.720 3.699 3.363 4.181 . 0 0 "[ . 1 . 2]" 1
1091 1 56 VAL HA 1 60 VAL H . . 4.750 3.829 3.582 4.198 . 0 0 "[ . 1 . 2]" 1
1092 1 56 VAL HA 1 91 GLU HG3 . . 5.240 5.151 4.016 5.328 0.088 20 0 "[ . 1 . 2]" 1
1093 1 56 VAL HB 1 57 HIS H . . 4.150 2.757 2.564 3.616 . 0 0 "[ . 1 . 2]" 1
1094 1 56 VAL QG 1 57 HIS H . . 5.090 3.038 2.654 3.712 . 0 0 "[ . 1 . 2]" 1
1095 1 56 VAL QG 1 57 HIS HB3 . . 5.330 4.894 4.501 5.538 0.208 6 0 "[ . 1 . 2]" 1
1096 1 56 VAL QG 1 91 GLU HA . . 3.810 3.130 2.780 3.709 . 0 0 "[ . 1 . 2]" 1
1097 1 56 VAL QG 1 91 GLU HG3 . . 3.770 2.234 2.077 2.691 . 0 0 "[ . 1 . 2]" 1
1098 1 56 VAL QG 1 94 CYS QB . . 4.620 3.337 2.617 4.096 . 0 0 "[ . 1 . 2]" 1
1099 1 56 VAL QG 1 98 TYR HB2 . . 5.470 4.498 3.687 5.252 . 0 0 "[ . 1 . 2]" 1
1100 1 56 VAL QG 1 98 TYR HB3 . . 5.280 4.327 3.457 5.089 . 0 0 "[ . 1 . 2]" 1
1101 1 56 VAL QG 1 98 TYR QD . . 5.500 3.909 3.234 4.362 . 0 0 "[ . 1 . 2]" 1
1102 1 56 VAL QG 1 98 TYR QE . . 5.100 4.614 3.956 5.083 . 0 0 "[ . 1 . 2]" 1
1103 1 57 HIS H 1 57 HIS HB3 . . 3.840 2.692 2.461 3.087 . 0 0 "[ . 1 . 2]" 1
1104 1 57 HIS H 1 58 ASP H . . 4.860 2.828 2.161 3.020 . 0 0 "[ . 1 . 2]" 1
1105 1 57 HIS HA 1 57 HIS HD2 . . 3.800 2.822 2.462 3.450 . 0 0 "[ . 1 . 2]" 1
1106 1 57 HIS HA 1 60 VAL H . . 4.240 3.729 3.341 4.001 . 0 0 "[ . 1 . 2]" 1
1107 1 57 HIS HA 1 60 VAL HB . . 3.730 2.592 2.300 2.883 . 0 0 "[ . 1 . 2]" 1
1108 1 57 HIS HA 1 60 VAL MG1 . . 3.800 3.690 3.030 3.890 0.090 3 0 "[ . 1 . 2]" 1
1109 1 57 HIS HA 1 60 VAL MG2 . . 4.210 3.511 2.598 3.949 . 0 0 "[ . 1 . 2]" 1
1110 1 57 HIS HA 1 61 ASN HB2 . . 5.060 4.806 4.334 5.105 0.045 1 0 "[ . 1 . 2]" 1
1111 1 57 HIS HB2 1 57 HIS HD2 . . 3.750 3.786 3.574 3.953 0.203 17 0 "[ . 1 . 2]" 1
1112 1 57 HIS HB2 1 58 ASP H . . 5.470 3.764 3.537 4.064 . 0 0 "[ . 1 . 2]" 1
1113 1 57 HIS HB3 1 58 ASP H . . 5.410 2.561 2.232 2.902 . 0 0 "[ . 1 . 2]" 1
1114 1 57 HIS HB3 1 58 ASP HB2 . . 5.260 4.156 3.687 5.153 . 0 0 "[ . 1 . 2]" 1
1115 1 57 HIS HD2 1 58 ASP HA . . 4.120 3.955 2.749 4.208 0.088 16 0 "[ . 1 . 2]" 1
1116 1 57 HIS HD2 1 60 VAL HB . . 4.740 3.912 2.848 4.794 0.054 13 0 "[ . 1 . 2]" 1
1117 1 57 HIS HD2 1 60 VAL MG1 . . 4.730 4.134 3.266 4.818 0.088 13 0 "[ . 1 . 2]" 1
1118 1 58 ASP H 1 59 CYS H . . 4.440 2.823 2.603 3.010 . 0 0 "[ . 1 . 2]" 1
1119 1 58 ASP HA 1 61 ASN H . . 4.120 3.489 3.277 3.667 . 0 0 "[ . 1 . 2]" 1
1120 1 58 ASP HA 1 61 ASN HB2 . . 3.640 3.642 3.378 3.725 0.085 10 0 "[ . 1 . 2]" 1
1121 1 58 ASP HA 1 61 ASN HB3 . . 3.600 2.805 2.519 3.166 . 0 0 "[ . 1 . 2]" 1
1122 1 58 ASP HA 1 61 ASN HD21 . . 5.050 4.310 3.746 5.132 0.082 8 0 "[ . 1 . 2]" 1
1123 1 58 ASP HA 1 62 ILE MD . . 5.500 4.932 4.622 5.577 0.077 15 0 "[ . 1 . 2]" 1
1124 1 58 ASP HA 1 62 ILE QG . . 5.120 3.674 3.281 4.352 . 0 0 "[ . 1 . 2]" 1
1125 1 59 CYS H 1 59 CYS QB . . 3.780 2.438 1.975 3.053 . 0 0 "[ . 1 . 2]" 1
1126 1 59 CYS H 1 60 VAL H . . 3.760 2.613 2.214 2.863 . 0 0 "[ . 1 . 2]" 1
1127 1 59 CYS H 1 60 VAL MG2 . . 5.160 4.327 3.706 4.643 . 0 0 "[ . 1 . 2]" 1
1128 1 59 CYS H 1 61 ASN H . . 5.400 4.045 3.834 4.200 . 0 0 "[ . 1 . 2]" 1
1129 1 59 CYS HA 1 62 ILE HB . . 4.390 2.553 2.286 2.794 . 0 0 "[ . 1 . 2]" 1
1130 1 59 CYS HA 1 62 ILE MG . . 4.370 3.725 3.386 4.006 . 0 0 "[ . 1 . 2]" 1
1131 1 59 CYS HA 1 63 THR H . . 5.020 3.807 3.384 4.062 . 0 0 "[ . 1 . 2]" 1
1132 1 59 CYS QB 1 60 VAL H . . 4.010 2.957 2.341 3.577 . 0 0 "[ . 1 . 2]" 1
1133 1 59 CYS QB 1 60 VAL MG2 . . 5.340 3.739 3.086 4.452 . 0 0 "[ . 1 . 2]" 1
1134 1 59 CYS QB 1 62 ILE HB . . 5.380 4.362 3.892 4.799 . 0 0 "[ . 1 . 2]" 1
1135 1 59 CYS QB 1 90 VAL QG . . 5.180 4.532 3.760 4.957 . 0 0 "[ . 1 . 2]" 1
1136 1 60 VAL H 1 60 VAL HB . . 3.120 2.328 2.146 2.588 . 0 0 "[ . 1 . 2]" 1
1137 1 60 VAL H 1 60 VAL MG1 . . 4.160 3.736 3.656 3.851 . 0 0 "[ . 1 . 2]" 1
1138 1 60 VAL H 1 60 VAL MG2 . . 3.550 2.353 2.196 2.617 . 0 0 "[ . 1 . 2]" 1
1139 1 60 VAL H 1 61 ASN H . . 3.540 2.753 2.616 2.972 . 0 0 "[ . 1 . 2]" 1
1140 1 60 VAL H 1 90 VAL QG . . 5.000 4.108 3.797 4.421 . 0 0 "[ . 1 . 2]" 1
1141 1 60 VAL H 1 94 CYS QB . . 5.500 4.554 4.144 4.844 . 0 0 "[ . 1 . 2]" 1
1142 1 60 VAL HA 1 60 VAL MG1 . . 3.170 2.615 2.495 2.722 . 0 0 "[ . 1 . 2]" 1
1143 1 60 VAL HA 1 60 VAL MG2 . . 3.690 2.291 2.178 2.361 . 0 0 "[ . 1 . 2]" 1
1144 1 60 VAL HA 1 62 ILE H . . 5.500 4.545 4.266 4.949 . 0 0 "[ . 1 . 2]" 1
1145 1 60 VAL HA 1 63 THR H . . 4.470 3.723 3.355 4.232 . 0 0 "[ . 1 . 2]" 1
1146 1 60 VAL HA 1 63 THR HB . . 4.100 3.296 2.833 3.925 . 0 0 "[ . 1 . 2]" 1
1147 1 60 VAL HA 1 63 THR MG . . 5.330 4.654 4.231 5.232 . 0 0 "[ . 1 . 2]" 1
1148 1 60 VAL HA 1 90 VAL QG . . 3.020 1.964 1.839 2.165 . 0 0 "[ . 1 . 2]" 1
1149 1 60 VAL HB 1 61 ASN H . . 3.260 2.853 2.629 3.223 . 0 0 "[ . 1 . 2]" 1
1150 1 60 VAL HB 1 61 ASN HB2 . . 5.450 4.557 4.368 4.776 . 0 0 "[ . 1 . 2]" 1
1151 1 60 VAL HB 1 61 ASN HB3 . . 5.120 5.109 4.918 5.208 0.088 10 0 "[ . 1 . 2]" 1
1152 1 60 VAL HB 1 64 ILE MD . . 5.500 4.497 4.296 5.199 . 0 0 "[ . 1 . 2]" 1
1153 1 60 VAL MG1 1 61 ASN H . . 4.170 3.368 2.935 3.708 . 0 0 "[ . 1 . 2]" 1
1154 1 60 VAL MG1 1 61 ASN HA . . 4.300 3.396 3.034 3.884 . 0 0 "[ . 1 . 2]" 1
1155 1 60 VAL MG1 1 61 ASN HB2 . . 5.260 4.215 3.838 4.632 . 0 0 "[ . 1 . 2]" 1
1156 1 60 VAL MG1 1 64 ILE MD . . 3.330 2.152 2.036 2.776 . 0 0 "[ . 1 . 2]" 1
1157 1 60 VAL MG1 1 64 ILE HG12 . . 4.740 4.438 3.912 5.312 0.572 6 1 "[ .+ 1 . 2]" 1
1158 1 60 VAL MG1 1 87 GLU HB2 . . 4.780 4.705 4.361 4.903 0.123 13 0 "[ . 1 . 2]" 1
1159 1 60 VAL MG1 1 87 GLU HB3 . . 5.000 4.046 3.368 4.537 . 0 0 "[ . 1 . 2]" 1
1160 1 60 VAL MG1 1 87 GLU HG2 . . 3.940 2.511 2.173 3.222 . 0 0 "[ . 1 . 2]" 1
1161 1 60 VAL MG1 1 87 GLU HG3 . . 4.550 3.716 3.166 4.426 . 0 0 "[ . 1 . 2]" 1
1162 1 60 VAL MG1 1 90 VAL QG . . 3.700 2.727 2.257 3.576 . 0 0 "[ . 1 . 2]" 1
1163 1 60 VAL MG1 1 91 GLU H . . 4.490 3.637 3.261 4.396 . 0 0 "[ . 1 . 2]" 1
1164 1 60 VAL MG2 1 61 ASN H . . 4.530 4.111 3.980 4.277 . 0 0 "[ . 1 . 2]" 1
1165 1 60 VAL MG2 1 63 THR HB . . 5.500 4.803 4.443 5.246 . 0 0 "[ . 1 . 2]" 1
1166 1 60 VAL MG2 1 64 ILE MD . . 4.970 4.081 3.755 4.472 . 0 0 "[ . 1 . 2]" 1
1167 1 60 VAL MG2 1 91 GLU H . . 4.440 3.007 2.685 3.516 . 0 0 "[ . 1 . 2]" 1
1168 1 60 VAL MG2 1 91 GLU HA . . 3.140 2.154 1.890 2.346 . 0 0 "[ . 1 . 2]" 1
1169 1 60 VAL MG2 1 91 GLU HB2 . . 4.580 2.544 2.240 2.974 . 0 0 "[ . 1 . 2]" 1
1170 1 60 VAL MG2 1 91 GLU HB3 . . 4.960 3.839 3.620 4.125 . 0 0 "[ . 1 . 2]" 1
1171 1 60 VAL MG2 1 92 GLN H . . 5.230 4.824 4.675 5.016 . 0 0 "[ . 1 . 2]" 1
1172 1 60 VAL MG2 1 94 CYS H . . 4.380 4.347 3.911 4.505 0.125 11 0 "[ . 1 . 2]" 1
1173 1 60 VAL MG2 1 94 CYS QB . . 4.300 3.037 2.464 3.756 . 0 0 "[ . 1 . 2]" 1
1174 1 61 ASN H 1 61 ASN HB2 . . 3.190 2.639 2.469 2.816 . 0 0 "[ . 1 . 2]" 1
1175 1 61 ASN H 1 61 ASN HB3 . . 3.450 2.454 2.366 2.580 . 0 0 "[ . 1 . 2]" 1
1176 1 61 ASN H 1 61 ASN HD21 . . 5.500 4.625 4.425 4.812 . 0 0 "[ . 1 . 2]" 1
1177 1 61 ASN H 1 62 ILE H . . 3.910 2.497 2.347 2.618 . 0 0 "[ . 1 . 2]" 1
1178 1 61 ASN H 1 62 ILE HB . . 5.330 4.427 4.351 4.451 . 0 0 "[ . 1 . 2]" 1
1179 1 61 ASN H 1 62 ILE MG . . 5.500 5.615 5.588 5.623 0.123 15 0 "[ . 1 . 2]" 1
1180 1 61 ASN H 1 63 THR H . . 5.200 4.215 3.997 4.503 . 0 0 "[ . 1 . 2]" 1
1181 1 61 ASN H 1 64 ILE MD . . 5.500 4.803 4.427 5.243 . 0 0 "[ . 1 . 2]" 1
1182 1 61 ASN H 1 64 ILE MG . . 5.490 5.588 5.537 5.606 0.116 16 0 "[ . 1 . 2]" 1
1183 1 61 ASN H 1 90 VAL QG . . 5.500 4.682 4.493 4.991 . 0 0 "[ . 1 . 2]" 1
1184 1 61 ASN HA 1 61 ASN HD21 . . 4.910 4.204 3.296 4.450 . 0 0 "[ . 1 . 2]" 1
1185 1 61 ASN HA 1 61 ASN HD22 . . 4.750 4.474 4.049 4.637 . 0 0 "[ . 1 . 2]" 1
1186 1 61 ASN HA 1 64 ILE H . . 4.510 3.850 3.640 4.184 . 0 0 "[ . 1 . 2]" 1
1187 1 61 ASN HA 1 64 ILE HB . . 4.020 2.692 2.423 3.170 . 0 0 "[ . 1 . 2]" 1
1188 1 61 ASN HA 1 64 ILE MD . . 4.830 3.478 2.904 3.852 . 0 0 "[ . 1 . 2]" 1
1189 1 61 ASN HA 1 64 ILE MG . . 4.760 3.347 3.262 3.472 . 0 0 "[ . 1 . 2]" 1
1190 1 61 ASN HA 1 65 LYS H . . 4.780 3.767 3.606 4.032 . 0 0 "[ . 1 . 2]" 1
1191 1 61 ASN HB2 1 62 ILE H . . 4.870 3.857 3.673 3.989 . 0 0 "[ . 1 . 2]" 1
1192 1 61 ASN HB2 1 62 ILE MD . . 5.130 5.220 5.197 5.236 0.106 10 0 "[ . 1 . 2]" 1
1193 1 61 ASN HB2 1 62 ILE QG . . 4.740 4.698 4.468 4.824 0.084 17 0 "[ . 1 . 2]" 1
1194 1 61 ASN HB2 1 64 ILE MD . . 5.500 5.234 4.681 5.611 0.111 10 0 "[ . 1 . 2]" 1
1195 1 61 ASN HB3 1 61 ASN HD22 . . 3.880 3.576 3.512 3.816 . 0 0 "[ . 1 . 2]" 1
1196 1 61 ASN HB3 1 62 ILE H . . 4.670 2.541 2.289 2.793 . 0 0 "[ . 1 . 2]" 1
1197 1 61 ASN HB3 1 62 ILE HA . . 4.920 4.242 4.063 4.389 . 0 0 "[ . 1 . 2]" 1
1198 1 61 ASN HB3 1 62 ILE HB . . 4.900 4.433 4.285 4.593 . 0 0 "[ . 1 . 2]" 1
1199 1 61 ASN HB3 1 62 ILE MD . . 4.510 3.893 3.787 3.990 . 0 0 "[ . 1 . 2]" 1
1200 1 61 ASN HB3 1 62 ILE QG . . 4.840 3.038 2.817 3.168 . 0 0 "[ . 1 . 2]" 1
1201 1 61 ASN HB3 1 63 THR H . . 5.500 5.202 5.019 5.454 . 0 0 "[ . 1 . 2]" 1
1202 1 61 ASN HD21 1 62 ILE MD . . 5.150 2.725 2.239 3.058 . 0 0 "[ . 1 . 2]" 1
1203 1 61 ASN HD21 1 65 LYS QD . . 5.500 4.372 3.026 5.570 0.070 9 0 "[ . 1 . 2]" 1
1204 1 61 ASN HD22 1 62 ILE H . . 5.500 5.009 4.751 5.354 . 0 0 "[ . 1 . 2]" 1
1205 1 61 ASN HD22 1 62 ILE MD . . 5.500 3.448 3.020 3.988 . 0 0 "[ . 1 . 2]" 1
1206 1 61 ASN HD22 1 64 ILE MG . . 5.500 5.536 5.037 5.609 0.109 4 0 "[ . 1 . 2]" 1
1207 1 61 ASN HD22 1 65 LYS QD . . 5.500 4.220 3.040 5.365 . 0 0 "[ . 1 . 2]" 1
1208 1 62 ILE H 1 62 ILE HB . . 3.980 2.225 2.164 2.357 . 0 0 "[ . 1 . 2]" 1
1209 1 62 ILE H 1 62 ILE MD . . 5.500 3.544 3.387 3.726 . 0 0 "[ . 1 . 2]" 1
1210 1 62 ILE H 1 63 THR H . . 4.400 2.809 2.562 2.988 . 0 0 "[ . 1 . 2]" 1
1211 1 62 ILE H 1 64 ILE H . . 5.500 4.192 3.976 4.424 . 0 0 "[ . 1 . 2]" 1
1212 1 62 ILE HA 1 62 ILE MD . . 3.350 2.086 2.030 2.174 . 0 0 "[ . 1 . 2]" 1
1213 1 62 ILE HA 1 62 ILE MG . . 3.630 2.579 2.504 2.664 . 0 0 "[ . 1 . 2]" 1
1214 1 62 ILE HA 1 65 LYS H . . 3.780 3.343 3.082 3.530 . 0 0 "[ . 1 . 2]" 1
1215 1 62 ILE HA 1 65 LYS QB . . 3.360 2.144 1.940 2.312 . 0 0 "[ . 1 . 2]" 1
1216 1 62 ILE HA 1 65 LYS QD . . 3.590 2.658 2.181 3.027 . 0 0 "[ . 1 . 2]" 1
1217 1 62 ILE HA 1 65 LYS QE . . 4.880 4.558 3.068 4.971 0.091 12 0 "[ . 1 . 2]" 1
1218 1 62 ILE HA 1 65 LYS HG2 . . 4.600 4.592 4.370 4.698 0.098 3 0 "[ . 1 . 2]" 1
1219 1 62 ILE HA 1 65 LYS HG3 . . 5.030 4.628 4.226 4.874 . 0 0 "[ . 1 . 2]" 1
1220 1 62 ILE HA 1 66 GLN H . . 4.440 3.733 3.441 4.031 . 0 0 "[ . 1 . 2]" 1
1221 1 62 ILE HB 1 62 ILE MD . . 3.740 3.298 3.280 3.330 . 0 0 "[ . 1 . 2]" 1
1222 1 62 ILE HB 1 63 THR H . . 3.670 2.877 2.694 3.038 . 0 0 "[ . 1 . 2]" 1
1223 1 62 ILE MD 1 62 ILE MG . . 3.560 2.206 2.098 2.303 . 0 0 "[ . 1 . 2]" 1
1224 1 62 ILE MD 1 63 THR H . . 5.500 4.884 4.819 4.962 . 0 0 "[ . 1 . 2]" 1
1225 1 62 ILE MD 1 65 LYS H . . 5.500 4.741 4.474 4.970 . 0 0 "[ . 1 . 2]" 1
1226 1 62 ILE MD 1 65 LYS QB . . 4.810 3.078 2.760 3.399 . 0 0 "[ . 1 . 2]" 1
1227 1 62 ILE MD 1 65 LYS QD . . 3.570 2.347 2.080 2.986 . 0 0 "[ . 1 . 2]" 1
1228 1 62 ILE MD 1 65 LYS QE . . 4.190 3.377 1.934 3.961 . 0 0 "[ . 1 . 2]" 1
1229 1 62 ILE MD 1 65 LYS HG2 . . 5.160 4.645 4.410 4.877 . 0 0 "[ . 1 . 2]" 1
1230 1 62 ILE MD 1 66 GLN H . . 5.500 4.852 4.473 5.082 . 0 0 "[ . 1 . 2]" 1
1231 1 62 ILE QG 1 65 LYS QD . . 5.410 4.177 3.933 4.689 . 0 0 "[ . 1 . 2]" 1
1232 1 62 ILE MG 1 63 THR H . . 4.110 3.165 2.934 3.438 . 0 0 "[ . 1 . 2]" 1
1233 1 62 ILE MG 1 63 THR HA . . 4.360 3.424 3.300 3.573 . 0 0 "[ . 1 . 2]" 1
1234 1 62 ILE MG 1 63 THR HB . . 5.330 4.940 4.661 5.125 . 0 0 "[ . 1 . 2]" 1
1235 1 62 ILE MG 1 63 THR MG . . 5.500 4.712 4.484 4.973 . 0 0 "[ . 1 . 2]" 1
1236 1 62 ILE MG 1 64 ILE H . . 5.500 5.040 4.857 5.200 . 0 0 "[ . 1 . 2]" 1
1237 1 62 ILE MG 1 65 LYS H . . 5.500 4.890 4.664 5.051 . 0 0 "[ . 1 . 2]" 1
1238 1 62 ILE MG 1 66 GLN H . . 5.380 3.955 3.717 4.334 . 0 0 "[ . 1 . 2]" 1
1239 1 62 ILE MG 1 66 GLN HE21 . . 5.500 4.671 2.294 5.602 0.102 6 0 "[ . 1 . 2]" 1
1240 1 62 ILE MG 1 66 GLN HG2 . . 4.920 3.963 3.078 4.350 . 0 0 "[ . 1 . 2]" 1
1241 1 62 ILE MG 1 66 GLN HG3 . . 5.210 5.070 3.993 5.331 0.121 13 0 "[ . 1 . 2]" 1
1242 1 63 THR H 1 63 THR HB . . 3.260 2.526 2.255 2.760 . 0 0 "[ . 1 . 2]" 1
1243 1 63 THR H 1 63 THR HG1 . . 3.400 2.308 1.950 3.468 0.068 4 0 "[ . 1 . 2]" 1
1244 1 63 THR H 1 63 THR MG . . 4.450 3.784 3.714 3.830 . 0 0 "[ . 1 . 2]" 1
1245 1 63 THR H 1 64 ILE H . . 3.830 2.661 2.490 2.804 . 0 0 "[ . 1 . 2]" 1
1246 1 63 THR H 1 64 ILE HB . . 5.010 4.479 4.271 4.655 . 0 0 "[ . 1 . 2]" 1
1247 1 63 THR HA 1 63 THR MG . . 3.540 2.391 2.301 2.599 . 0 0 "[ . 1 . 2]" 1
1248 1 63 THR HA 1 64 ILE HA . . 5.300 4.855 4.789 4.943 . 0 0 "[ . 1 . 2]" 1
1249 1 63 THR HA 1 66 GLN HB2 . . 4.890 2.805 2.342 3.488 . 0 0 "[ . 1 . 2]" 1
1250 1 63 THR HA 1 66 GLN HB3 . . 4.770 4.036 3.167 4.841 0.071 5 0 "[ . 1 . 2]" 1
1251 1 63 THR HA 1 66 GLN HG2 . . 5.290 4.377 3.382 4.916 . 0 0 "[ . 1 . 2]" 1
1252 1 63 THR HA 1 90 VAL QG . . 5.280 4.200 4.035 4.392 . 0 0 "[ . 1 . 2]" 1
1253 1 63 THR HB 1 64 ILE H . . 3.650 2.619 2.399 2.846 . 0 0 "[ . 1 . 2]" 1
1254 1 63 THR HB 1 64 ILE HB . . 4.940 4.606 4.287 4.907 . 0 0 "[ . 1 . 2]" 1
1255 1 63 THR HB 1 64 ILE MD . . 5.210 4.847 4.547 5.064 . 0 0 "[ . 1 . 2]" 1
1256 1 63 THR HB 1 90 VAL QG . . 3.460 1.963 1.846 2.131 . 0 0 "[ . 1 . 2]" 1
1257 1 63 THR HG1 1 64 ILE H . . 4.610 4.131 3.797 4.699 0.089 3 0 "[ . 1 . 2]" 1
1258 1 63 THR MG 1 64 ILE H . . 4.790 3.555 3.024 3.824 . 0 0 "[ . 1 . 2]" 1
1259 1 63 THR MG 1 64 ILE MD . . 5.220 5.049 4.322 5.330 0.110 9 0 "[ . 1 . 2]" 1
1260 1 63 THR MG 1 64 ILE HG12 . . 5.140 4.883 3.976 5.596 0.456 10 0 "[ . 1 . 2]" 1
1261 1 63 THR MG 1 67 HIS HB3 . . 5.040 5.076 4.769 5.147 0.107 6 0 "[ . 1 . 2]" 1
1262 1 63 THR MG 1 67 HIS HD2 . . 5.340 4.945 3.917 5.446 0.106 17 0 "[ . 1 . 2]" 1
1263 1 63 THR MG 1 90 VAL QG . . 3.960 2.178 1.870 2.502 . 0 0 "[ . 1 . 2]" 1
1264 1 64 ILE H 1 64 ILE HB . . 3.140 2.180 2.050 2.356 . 0 0 "[ . 1 . 2]" 1
1265 1 64 ILE H 1 64 ILE MD . . 4.610 3.656 3.506 3.910 . 0 0 "[ . 1 . 2]" 1
1266 1 64 ILE H 1 64 ILE MG . . 4.250 3.628 3.522 3.760 . 0 0 "[ . 1 . 2]" 1
1267 1 64 ILE H 1 65 LYS H . . 3.660 2.804 2.624 3.012 . 0 0 "[ . 1 . 2]" 1
1268 1 64 ILE H 1 90 VAL HB . . 5.500 5.071 4.846 5.416 . 0 0 "[ . 1 . 2]" 1
1269 1 64 ILE H 1 90 VAL QG . . 3.990 2.875 2.467 3.039 . 0 0 "[ . 1 . 2]" 1
1270 1 64 ILE HA 1 64 ILE MD . . 4.150 3.711 3.647 3.796 . 0 0 "[ . 1 . 2]" 1
1271 1 64 ILE HA 1 64 ILE HG12 . . 3.880 2.333 2.181 2.597 . 0 0 "[ . 1 . 2]" 1
1272 1 64 ILE HA 1 64 ILE HG13 . . 4.030 2.589 2.255 2.834 . 0 0 "[ . 1 . 2]" 1
1273 1 64 ILE HA 1 64 ILE MG . . 3.340 2.789 2.686 2.929 . 0 0 "[ . 1 . 2]" 1
1274 1 64 ILE HA 1 67 HIS H . . 4.670 3.576 3.397 3.816 . 0 0 "[ . 1 . 2]" 1
1275 1 64 ILE HA 1 67 HIS HB2 . . 4.430 3.316 2.677 4.352 . 0 0 "[ . 1 . 2]" 1
1276 1 64 ILE HA 1 67 HIS HB3 . . 4.590 4.112 3.719 4.535 . 0 0 "[ . 1 . 2]" 1
1277 1 64 ILE HA 1 68 THR H . . 5.130 4.077 3.725 4.401 . 0 0 "[ . 1 . 2]" 1
1278 1 64 ILE HA 1 68 THR HB . . 4.930 4.844 4.489 4.993 0.063 7 0 "[ . 1 . 2]" 1
1279 1 64 ILE HA 1 68 THR MG . . 5.430 5.428 5.058 5.517 0.087 12 0 "[ . 1 . 2]" 1
1280 1 64 ILE HA 1 86 MET HB3 . . 4.820 4.346 3.755 4.783 . 0 0 "[ . 1 . 2]" 1
1281 1 64 ILE HA 1 86 MET ME . . 4.480 4.284 3.807 4.547 0.067 7 0 "[ . 1 . 2]" 1
1282 1 64 ILE HB 1 65 LYS H . . 3.510 2.764 2.514 3.038 . 0 0 "[ . 1 . 2]" 1
1283 1 64 ILE MD 1 64 ILE MG . . 2.980 2.098 2.046 2.145 . 0 0 "[ . 1 . 2]" 1
1284 1 64 ILE MD 1 65 LYS H . . 5.500 4.762 4.556 4.936 . 0 0 "[ . 1 . 2]" 1
1285 1 64 ILE MD 1 83 VAL HA . . 4.820 4.677 4.212 4.914 0.094 15 0 "[ . 1 . 2]" 1
1286 1 64 ILE MD 1 86 MET HA . . 5.500 4.623 4.247 5.265 . 0 0 "[ . 1 . 2]" 1
1287 1 64 ILE MD 1 86 MET HB2 . . 4.700 3.470 3.003 3.933 . 0 0 "[ . 1 . 2]" 1
1288 1 64 ILE MD 1 86 MET HB3 . . 4.510 3.125 2.761 3.972 . 0 0 "[ . 1 . 2]" 1
1289 1 64 ILE MD 1 86 MET ME . . 4.160 3.936 3.351 4.238 0.078 3 0 "[ . 1 . 2]" 1
1290 1 64 ILE MD 1 87 GLU H . . 4.530 3.092 2.784 3.403 . 0 0 "[ . 1 . 2]" 1
1291 1 64 ILE MD 1 87 GLU HA . . 3.070 2.087 1.942 2.324 . 0 0 "[ . 1 . 2]" 1
1292 1 64 ILE MD 1 87 GLU HB2 . . 4.590 3.578 3.094 4.042 . 0 0 "[ . 1 . 2]" 1
1293 1 64 ILE MD 1 87 GLU HB3 . . 4.620 3.988 3.810 4.244 . 0 0 "[ . 1 . 2]" 1
1294 1 64 ILE MD 1 87 GLU HG2 . . 3.790 2.346 2.040 2.779 . 0 0 "[ . 1 . 2]" 1
1295 1 64 ILE MD 1 87 GLU HG3 . . 3.880 2.340 2.096 3.324 . 0 0 "[ . 1 . 2]" 1
1296 1 64 ILE MD 1 88 ARG H . . 5.500 4.784 4.433 5.073 . 0 0 "[ . 1 . 2]" 1
1297 1 64 ILE MD 1 90 VAL H . . 5.500 4.328 3.913 4.795 . 0 0 "[ . 1 . 2]" 1
1298 1 64 ILE MD 1 90 VAL HB . . 4.540 2.968 2.571 3.404 . 0 0 "[ . 1 . 2]" 1
1299 1 64 ILE MD 1 90 VAL QG . . 4.230 2.717 2.173 3.224 . 0 0 "[ . 1 . 2]" 1
1300 1 64 ILE HG13 1 87 GLU HG2 . . 5.070 4.830 4.451 5.253 0.183 20 0 "[ . 1 . 2]" 1
1301 1 64 ILE MG 1 65 LYS H . . 4.290 2.803 2.491 3.267 . 0 0 "[ . 1 . 2]" 1
1302 1 64 ILE MG 1 66 GLN H . . 5.500 5.065 4.896 5.267 . 0 0 "[ . 1 . 2]" 1
1303 1 64 ILE MG 1 68 THR H . . 5.500 4.284 3.922 4.530 . 0 0 "[ . 1 . 2]" 1
1304 1 64 ILE MG 1 68 THR HB . . 4.900 3.469 3.147 3.661 . 0 0 "[ . 1 . 2]" 1
1305 1 64 ILE MG 1 68 THR MG . . 3.950 3.468 3.116 3.674 . 0 0 "[ . 1 . 2]" 1
1306 1 64 ILE MG 1 83 VAL HA . . 5.050 4.805 4.526 5.102 0.052 10 0 "[ . 1 . 2]" 1
1307 1 64 ILE MG 1 86 MET HB2 . . 5.090 4.549 4.171 4.934 . 0 0 "[ . 1 . 2]" 1
1308 1 64 ILE MG 1 86 MET ME . . 4.490 3.542 3.280 3.924 . 0 0 "[ . 1 . 2]" 1
1309 1 64 ILE MG 1 87 GLU H . . 5.200 5.233 4.948 5.291 0.091 4 0 "[ . 1 . 2]" 1
1310 1 64 ILE MG 1 87 GLU HG3 . . 5.500 4.012 3.706 4.669 . 0 0 "[ . 1 . 2]" 1
1311 1 65 LYS H 1 65 LYS QB . . 3.340 2.160 2.053 2.236 . 0 0 "[ . 1 . 2]" 1
1312 1 65 LYS H 1 65 LYS QD . . 4.910 4.069 3.668 4.268 . 0 0 "[ . 1 . 2]" 1
1313 1 65 LYS H 1 65 LYS HG2 . . 4.240 4.326 4.311 4.333 0.093 14 0 "[ . 1 . 2]" 1
1314 1 65 LYS H 1 65 LYS HG3 . . 4.730 4.563 4.400 4.724 . 0 0 "[ . 1 . 2]" 1
1315 1 65 LYS H 1 66 GLN H . . 3.670 3.011 2.859 3.164 . 0 0 "[ . 1 . 2]" 1
1316 1 65 LYS H 1 90 VAL QG . . 5.350 5.036 4.711 5.137 . 0 0 "[ . 1 . 2]" 1
1317 1 65 LYS HA 1 65 LYS QD . . 4.000 3.982 3.900 4.008 0.008 6 0 "[ . 1 . 2]" 1
1318 1 65 LYS HA 1 65 LYS HG3 . . 3.560 3.047 2.696 3.620 0.060 10 0 "[ . 1 . 2]" 1
1319 1 65 LYS HA 1 69 VAL MG1 . . 5.500 5.287 5.098 5.432 . 0 0 "[ . 1 . 2]" 1
1320 1 65 LYS QB 1 65 LYS QE . . 4.060 3.518 2.916 3.765 . 0 0 "[ . 1 . 2]" 1
1321 1 65 LYS QB 1 66 GLN H . . 3.140 2.496 2.201 2.980 . 0 0 "[ . 1 . 2]" 1
1322 1 65 LYS QB 1 66 GLN HE22 . . 5.500 5.030 3.715 5.600 0.100 7 0 "[ . 1 . 2]" 1
1323 1 65 LYS QD 1 65 LYS HG2 . . 2.660 2.216 2.079 2.313 . 0 0 "[ . 1 . 2]" 1
1324 1 65 LYS QD 1 66 GLN HA . . 4.160 3.798 2.479 4.268 0.108 7 0 "[ . 1 . 2]" 1
1325 1 65 LYS QD 1 69 VAL MG1 . . 4.550 4.392 2.990 4.665 0.115 16 0 "[ . 1 . 2]" 1
1326 1 65 LYS QD 1 69 VAL MG2 . . 4.500 3.793 2.869 4.204 . 0 0 "[ . 1 . 2]" 1
1327 1 65 LYS QE 1 65 LYS HG2 . . 3.380 2.680 2.239 3.390 0.010 3 0 "[ . 1 . 2]" 1
1328 1 65 LYS QE 1 65 LYS HG3 . . 3.300 2.459 2.145 2.922 . 0 0 "[ . 1 . 2]" 1
1329 1 65 LYS QE 1 69 VAL MG1 . . 4.770 3.456 2.966 4.164 . 0 0 "[ . 1 . 2]" 1
1330 1 65 LYS QE 1 69 VAL MG2 . . 3.840 3.257 2.627 3.968 0.128 3 0 "[ . 1 . 2]" 1
1331 1 65 LYS HG2 1 66 GLN HA . . 3.560 3.342 3.147 3.624 0.064 9 0 "[ . 1 . 2]" 1
1332 1 65 LYS HG2 1 69 VAL MG1 . . 4.120 3.589 3.452 3.705 . 0 0 "[ . 1 . 2]" 1
1333 1 65 LYS HG2 1 69 VAL MG2 . . 4.390 2.374 1.995 2.776 . 0 0 "[ . 1 . 2]" 1
1334 1 65 LYS HG3 1 66 GLN H . . 5.500 4.598 4.460 4.702 . 0 0 "[ . 1 . 2]" 1
1335 1 65 LYS HG3 1 69 VAL MG1 . . 4.170 4.247 4.144 4.289 0.119 3 0 "[ . 1 . 2]" 1
1336 1 65 LYS HG3 1 69 VAL MG2 . . 4.150 2.623 2.262 3.042 . 0 0 "[ . 1 . 2]" 1
1337 1 66 GLN H 1 66 GLN HB2 . . 3.560 2.177 2.010 2.440 . 0 0 "[ . 1 . 2]" 1
1338 1 66 GLN H 1 66 GLN HE21 . . 5.050 4.453 3.247 5.121 0.071 7 0 "[ . 1 . 2]" 1
1339 1 66 GLN H 1 67 HIS H . . 3.660 3.039 2.840 3.157 . 0 0 "[ . 1 . 2]" 1
1340 1 66 GLN H 1 67 HIS HA . . 5.500 5.514 5.394 5.552 0.052 13 0 "[ . 1 . 2]" 1
1341 1 66 GLN H 1 68 THR H . . 4.400 4.145 3.918 4.323 . 0 0 "[ . 1 . 2]" 1
1342 1 66 GLN HA 1 66 GLN HE21 . . 5.320 3.158 2.239 4.210 . 0 0 "[ . 1 . 2]" 1
1343 1 66 GLN HA 1 66 GLN HE22 . . 5.340 3.629 3.225 4.229 . 0 0 "[ . 1 . 2]" 1
1344 1 66 GLN HA 1 66 GLN HG2 . . 3.940 3.547 2.877 3.761 . 0 0 "[ . 1 . 2]" 1
1345 1 66 GLN HA 1 66 GLN HG3 . . 4.250 2.947 2.487 3.722 . 0 0 "[ . 1 . 2]" 1
1346 1 66 GLN HA 1 68 THR H . . 4.290 4.109 3.711 4.369 0.079 18 0 "[ . 1 . 2]" 1
1347 1 66 GLN HA 1 69 VAL H . . 3.200 3.250 3.142 3.283 0.083 11 0 "[ . 1 . 2]" 1
1348 1 66 GLN HA 1 69 VAL HB . . 3.170 2.597 2.356 2.839 . 0 0 "[ . 1 . 2]" 1
1349 1 66 GLN HA 1 69 VAL MG1 . . 4.370 3.874 3.504 4.226 . 0 0 "[ . 1 . 2]" 1
1350 1 66 GLN HA 1 69 VAL MG2 . . 3.830 3.900 3.787 3.946 0.116 16 0 "[ . 1 . 2]" 1
1351 1 66 GLN HA 1 70 THR H . . 3.190 2.527 2.394 2.622 . 0 0 "[ . 1 . 2]" 1
1352 1 66 GLN HA 1 70 THR HA . . 5.040 4.954 4.731 5.122 0.082 2 0 "[ . 1 . 2]" 1
1353 1 66 GLN HA 1 70 THR HB . . 5.030 2.865 2.422 3.741 . 0 0 "[ . 1 . 2]" 1
1354 1 66 GLN HA 1 70 THR MG . . 4.180 3.403 2.358 3.920 . 0 0 "[ . 1 . 2]" 1
1355 1 66 GLN HA 1 71 THR H . . 4.770 4.829 4.759 4.860 0.090 12 0 "[ . 1 . 2]" 1
1356 1 66 GLN HB2 1 66 GLN HE21 . . 4.520 4.039 2.816 4.565 0.045 14 0 "[ . 1 . 2]" 1
1357 1 66 GLN HB2 1 66 GLN HE22 . . 5.180 4.756 3.949 5.234 0.054 11 0 "[ . 1 . 2]" 1
1358 1 66 GLN HB2 1 67 HIS H . . 4.340 3.102 2.633 3.865 . 0 0 "[ . 1 . 2]" 1
1359 1 66 GLN HB2 1 69 VAL H . . 5.500 5.544 5.442 5.582 0.082 18 0 "[ . 1 . 2]" 1
1360 1 66 GLN HB2 1 70 THR MG . . 5.020 4.166 3.439 4.708 . 0 0 "[ . 1 . 2]" 1
1361 1 66 GLN HB3 1 67 HIS H . . 4.120 3.088 2.775 3.578 . 0 0 "[ . 1 . 2]" 1
1362 1 66 GLN HB3 1 69 VAL H . . 5.500 5.102 4.973 5.392 . 0 0 "[ . 1 . 2]" 1
1363 1 66 GLN HB3 1 70 THR MG . . 3.970 2.797 2.045 3.764 . 0 0 "[ . 1 . 2]" 1
1364 1 66 GLN HE21 1 70 THR MG . . 5.500 4.302 2.472 5.442 . 0 0 "[ . 1 . 2]" 1
1365 1 66 GLN HE22 1 69 VAL MG1 . . 5.500 3.979 2.615 5.509 0.009 13 0 "[ . 1 . 2]" 1
1366 1 66 GLN HE22 1 69 VAL MG2 . . 5.500 4.889 4.173 5.580 0.080 13 0 "[ . 1 . 2]" 1
1367 1 66 GLN HE22 1 70 THR MG . . 5.500 5.114 3.336 5.609 0.109 15 0 "[ . 1 . 2]" 1
1368 1 66 GLN HG2 1 70 THR MG . . 4.060 3.870 3.436 4.167 0.107 7 0 "[ . 1 . 2]" 1
1369 1 66 GLN HG3 1 70 THR MG . . 3.360 2.754 2.192 3.458 0.098 11 0 "[ . 1 . 2]" 1
1370 1 67 HIS H 1 68 THR H . . 3.660 2.714 2.523 2.826 . 0 0 "[ . 1 . 2]" 1
1371 1 67 HIS HA 1 67 HIS HD2 . . 4.610 3.447 2.416 4.405 . 0 0 "[ . 1 . 2]" 1
1372 1 67 HIS HA 1 69 VAL H . . 5.290 3.837 3.686 4.005 . 0 0 "[ . 1 . 2]" 1
1373 1 67 HIS HA 1 70 THR H . . 4.440 4.341 4.167 4.492 0.052 12 0 "[ . 1 . 2]" 1
1374 1 67 HIS HA 1 70 THR MG . . 4.490 3.153 2.711 3.705 . 0 0 "[ . 1 . 2]" 1
1375 1 67 HIS HA 1 71 THR H . . 5.130 3.586 3.215 3.983 . 0 0 "[ . 1 . 2]" 1
1376 1 67 HIS HA 1 71 THR MG . . 5.010 4.006 3.595 4.261 . 0 0 "[ . 1 . 2]" 1
1377 1 67 HIS HD2 1 71 THR MG . . 4.980 4.940 4.332 5.085 0.105 14 0 "[ . 1 . 2]" 1
1378 1 67 HIS HE1 1 71 THR MG . . 4.610 4.380 3.406 4.721 0.111 11 0 "[ . 1 . 2]" 1
1379 1 68 THR H 1 68 THR HB . . 3.510 2.428 2.205 2.542 . 0 0 "[ . 1 . 2]" 1
1380 1 68 THR H 1 68 THR MG . . 4.170 3.762 3.655 3.848 . 0 0 "[ . 1 . 2]" 1
1381 1 68 THR H 1 69 VAL H . . 3.570 2.464 2.146 2.700 . 0 0 "[ . 1 . 2]" 1
1382 1 68 THR H 1 69 VAL HB . . 5.220 4.426 4.077 4.748 . 0 0 "[ . 1 . 2]" 1
1383 1 68 THR H 1 69 VAL MG2 . . 5.500 3.935 3.680 4.158 . 0 0 "[ . 1 . 2]" 1
1384 1 68 THR H 1 70 THR H . . 4.680 4.425 3.992 4.733 0.053 1 0 "[ . 1 . 2]" 1
1385 1 68 THR H 1 78 PHE QE . . 5.500 3.979 3.385 4.632 . 0 0 "[ . 1 . 2]" 1
1386 1 68 THR HA 1 68 THR MG . . 3.440 2.443 2.374 2.638 . 0 0 "[ . 1 . 2]" 1
1387 1 68 THR HA 1 78 PHE QE . . 3.350 2.555 2.265 3.128 . 0 0 "[ . 1 . 2]" 1
1388 1 68 THR HB 1 69 VAL H . . 3.490 3.567 3.557 3.574 0.084 4 0 "[ . 1 . 2]" 1
1389 1 68 THR HB 1 69 VAL MG2 . . 4.530 3.141 2.936 3.365 . 0 0 "[ . 1 . 2]" 1
1390 1 68 THR HB 1 78 PHE QE . . 4.980 4.660 4.332 5.053 0.073 16 0 "[ . 1 . 2]" 1
1391 1 68 THR MG 1 69 VAL HA . . 4.480 4.494 4.332 4.557 0.077 9 0 "[ . 1 . 2]" 1
1392 1 68 THR MG 1 69 VAL MG2 . . 3.460 3.446 3.028 3.581 0.121 3 0 "[ . 1 . 2]" 1
1393 1 68 THR MG 1 77 ASN HD22 . . 5.500 1.989 1.741 2.474 . 0 0 "[ . 1 . 2]" 1
1394 1 68 THR MG 1 78 PHE H . . 5.350 4.524 3.840 5.288 . 0 0 "[ . 1 . 2]" 1
1395 1 68 THR MG 1 78 PHE QE . . 3.730 3.577 3.025 3.838 0.108 14 0 "[ . 1 . 2]" 1
1396 1 68 THR MG 1 83 VAL MG1 . . 4.260 4.074 3.289 4.355 0.095 11 0 "[ . 1 . 2]" 1
1397 1 68 THR MG 1 83 VAL MG2 . . 4.050 3.709 3.108 4.160 0.110 5 0 "[ . 1 . 2]" 1
1398 1 69 VAL H 1 69 VAL HB . . 3.050 2.569 2.505 2.661 . 0 0 "[ . 1 . 2]" 1
1399 1 69 VAL H 1 69 VAL MG1 . . 4.010 3.846 3.771 3.900 . 0 0 "[ . 1 . 2]" 1
1400 1 69 VAL H 1 69 VAL MG2 . . 3.360 2.969 2.888 3.051 . 0 0 "[ . 1 . 2]" 1
1401 1 69 VAL H 1 70 THR H . . 2.960 2.340 2.218 2.505 . 0 0 "[ . 1 . 2]" 1
1402 1 69 VAL H 1 70 THR MG . . 4.270 4.144 3.703 4.369 0.099 4 0 "[ . 1 . 2]" 1
1403 1 69 VAL H 1 72 THR HB . . 5.500 4.009 3.684 4.479 . 0 0 "[ . 1 . 2]" 1
1404 1 69 VAL HA 1 69 VAL MG1 . . 2.950 2.524 2.395 2.628 . 0 0 "[ . 1 . 2]" 1
1405 1 69 VAL HA 1 69 VAL MG2 . . 2.880 2.349 2.266 2.408 . 0 0 "[ . 1 . 2]" 1
1406 1 69 VAL HA 1 72 THR HB . . 3.970 2.276 2.110 2.524 . 0 0 "[ . 1 . 2]" 1
1407 1 69 VAL HA 1 72 THR MG . . 4.280 3.588 3.478 3.731 . 0 0 "[ . 1 . 2]" 1
1408 1 69 VAL HB 1 70 THR H . . 3.210 2.289 2.225 2.389 . 0 0 "[ . 1 . 2]" 1
1409 1 69 VAL HB 1 70 THR HA . . 4.640 4.415 4.237 4.540 . 0 0 "[ . 1 . 2]" 1
1410 1 69 VAL HB 1 70 THR MG . . 4.950 4.616 3.774 5.045 0.095 9 0 "[ . 1 . 2]" 1
1411 1 69 VAL HB 1 71 THR H . . 4.840 4.566 4.419 4.717 . 0 0 "[ . 1 . 2]" 1
1412 1 69 VAL HB 1 72 THR HB . . 5.000 5.074 5.046 5.088 0.088 7 0 "[ . 1 . 2]" 1
1413 1 69 VAL MG1 1 70 THR H . . 3.890 2.936 2.692 3.130 . 0 0 "[ . 1 . 2]" 1
1414 1 69 VAL MG1 1 72 THR HB . . 5.130 4.266 3.816 4.601 . 0 0 "[ . 1 . 2]" 1
1415 1 69 VAL MG1 1 73 THR HB . . 4.350 3.425 3.261 3.699 . 0 0 "[ . 1 . 2]" 1
1416 1 69 VAL MG1 1 73 THR MG . . 3.470 3.614 3.593 3.626 0.156 18 0 "[ . 1 . 2]" 1
1417 1 69 VAL MG2 1 70 THR H . . 4.090 3.855 3.773 3.927 . 0 0 "[ . 1 . 2]" 1
1418 1 69 VAL MG2 1 72 THR MG . . 4.160 4.264 4.210 4.287 0.127 5 0 "[ . 1 . 2]" 1
1419 1 70 THR H 1 70 THR MG . . 3.660 2.838 2.172 3.254 . 0 0 "[ . 1 . 2]" 1
1420 1 70 THR H 1 71 THR H . . 3.400 2.688 2.538 2.862 . 0 0 "[ . 1 . 2]" 1
1421 1 70 THR H 1 72 THR H . . 4.100 4.077 3.936 4.162 0.062 3 0 "[ . 1 . 2]" 1
1422 1 70 THR HA 1 73 THR MG . . 2.980 2.196 1.963 2.628 . 0 0 "[ . 1 . 2]" 1
1423 1 70 THR HA 1 74 LYS QD . . 5.500 4.252 3.804 4.610 . 0 0 "[ . 1 . 2]" 1
1424 1 70 THR MG 1 71 THR H . . 4.250 2.941 2.505 3.275 . 0 0 "[ . 1 . 2]" 1
1425 1 70 THR MG 1 71 THR HB . . 5.060 4.733 4.363 5.103 0.043 5 0 "[ . 1 . 2]" 1
1426 1 70 THR MG 1 71 THR MG . . 3.800 3.745 3.399 3.929 0.129 7 0 "[ . 1 . 2]" 1
1427 1 71 THR H 1 72 THR H . . 3.110 2.165 2.023 2.261 . 0 0 "[ . 1 . 2]" 1
1428 1 71 THR H 1 72 THR HA . . 4.870 4.867 4.754 4.941 0.071 12 0 "[ . 1 . 2]" 1
1429 1 71 THR H 1 74 LYS QD . . 5.500 4.135 3.967 4.347 . 0 0 "[ . 1 . 2]" 1
1430 1 71 THR HA 1 71 THR MG . . 3.280 2.218 2.122 2.291 . 0 0 "[ . 1 . 2]" 1
1431 1 71 THR HA 1 74 LYS HB2 . . 5.080 4.158 3.447 4.877 . 0 0 "[ . 1 . 2]" 1
1432 1 71 THR HA 1 74 LYS QD . . 4.000 1.969 1.907 2.047 . 0 0 "[ . 1 . 2]" 1
1433 1 71 THR HA 1 74 LYS QE . . 4.160 3.077 2.245 3.918 . 0 0 "[ . 1 . 2]" 1
1434 1 71 THR HA 1 74 LYS HG2 . . 4.610 4.696 4.678 4.708 0.098 7 0 "[ . 1 . 2]" 1
1435 1 71 THR HA 1 74 LYS HG3 . . 4.490 4.244 3.766 4.556 0.066 10 0 "[ . 1 . 2]" 1
1436 1 71 THR HB 1 72 THR HA . . 4.520 4.073 3.853 4.233 . 0 0 "[ . 1 . 2]" 1
1437 1 71 THR HB 1 76 GLU H . . 5.170 4.116 3.805 4.532 . 0 0 "[ . 1 . 2]" 1
1438 1 71 THR HB 1 76 GLU QB . . 3.480 2.215 2.039 2.469 . 0 0 "[ . 1 . 2]" 1
1439 1 71 THR HB 1 76 GLU HG2 . . 4.210 2.676 2.440 3.228 . 0 0 "[ . 1 . 2]" 1
1440 1 71 THR HB 1 76 GLU HG3 . . 4.100 4.065 3.860 4.167 0.067 12 0 "[ . 1 . 2]" 1
1441 1 71 THR HB 1 77 ASN H . . 5.500 5.537 5.369 5.580 0.080 16 0 "[ . 1 . 2]" 1
1442 1 71 THR HB 1 78 PHE QE . . 4.920 4.403 3.988 4.745 . 0 0 "[ . 1 . 2]" 1
1443 1 71 THR MG 1 72 THR HA . . 4.910 4.886 4.751 4.984 0.074 19 0 "[ . 1 . 2]" 1
1444 1 71 THR MG 1 74 LYS QD . . 5.500 3.047 2.729 3.514 . 0 0 "[ . 1 . 2]" 1
1445 1 71 THR MG 1 74 LYS QE . . 5.310 3.411 2.437 4.210 . 0 0 "[ . 1 . 2]" 1
1446 1 71 THR MG 1 76 GLU HA . . 4.400 4.494 4.455 4.510 0.110 5 0 "[ . 1 . 2]" 1
1447 1 71 THR MG 1 76 GLU QB . . 3.370 2.058 1.999 2.173 . 0 0 "[ . 1 . 2]" 1
1448 1 71 THR MG 1 76 GLU HG2 . . 5.320 2.377 2.040 3.102 . 0 0 "[ . 1 . 2]" 1
1449 1 71 THR MG 1 78 PHE QE . . 4.530 4.603 4.400 4.670 0.140 8 0 "[ . 1 . 2]" 1
1450 1 72 THR H 1 72 THR HB . . 2.820 2.315 2.157 2.456 . 0 0 "[ . 1 . 2]" 1
1451 1 72 THR H 1 73 THR H . . 3.350 2.559 2.362 2.744 . 0 0 "[ . 1 . 2]" 1
1452 1 72 THR H 1 73 THR MG . . 3.470 3.558 3.533 3.571 0.101 15 0 "[ . 1 . 2]" 1
1453 1 72 THR H 1 74 LYS H . . 4.820 4.177 3.996 4.422 . 0 0 "[ . 1 . 2]" 1
1454 1 72 THR H 1 74 LYS QD . . 5.460 4.306 4.047 4.518 . 0 0 "[ . 1 . 2]" 1
1455 1 72 THR H 1 77 ASN HD21 . . 5.500 4.417 4.164 4.689 . 0 0 "[ . 1 . 2]" 1
1456 1 72 THR HA 1 72 THR MG . . 3.110 2.525 2.435 2.636 . 0 0 "[ . 1 . 2]" 1
1457 1 72 THR HA 1 73 THR H . . 3.360 3.441 3.434 3.447 0.087 13 0 "[ . 1 . 2]" 1
1458 1 72 THR HA 1 75 GLY HA2 . . 3.530 3.590 3.556 3.609 0.079 12 0 "[ . 1 . 2]" 1
1459 1 72 THR HA 1 76 GLU H . . 3.850 2.162 1.695 3.209 . 0 0 "[ . 1 . 2]" 1
1460 1 72 THR HA 1 76 GLU QB . . 4.170 3.488 3.281 3.676 . 0 0 "[ . 1 . 2]" 1
1461 1 72 THR HA 1 76 GLU HG3 . . 5.400 5.463 5.389 5.482 0.082 5 0 "[ . 1 . 2]" 1
1462 1 72 THR HA 1 77 ASN H . . 4.880 4.724 4.349 4.975 0.095 19 0 "[ . 1 . 2]" 1
1463 1 72 THR HA 1 77 ASN HA . . 4.680 4.487 4.186 4.705 0.025 9 0 "[ . 1 . 2]" 1
1464 1 72 THR MG 1 76 GLU H . . 5.500 4.152 3.582 5.123 . 0 0 "[ . 1 . 2]" 1
1465 1 72 THR MG 1 77 ASN H . . 5.500 5.058 4.716 5.439 . 0 0 "[ . 1 . 2]" 1
1466 1 72 THR MG 1 77 ASN HA . . 4.250 4.178 3.805 4.340 0.090 6 0 "[ . 1 . 2]" 1
1467 1 72 THR MG 1 77 ASN HD21 . . 5.500 2.525 2.260 2.883 . 0 0 "[ . 1 . 2]" 1
1468 1 73 THR H 1 73 THR HB . . 3.100 2.390 2.093 2.582 . 0 0 "[ . 1 . 2]" 1
1469 1 73 THR H 1 73 THR MG . . 3.520 2.057 1.947 2.225 . 0 0 "[ . 1 . 2]" 1
1470 1 73 THR H 1 74 LYS H . . 3.450 2.797 2.672 2.922 . 0 0 "[ . 1 . 2]" 1
1471 1 73 THR H 1 74 LYS QD . . 5.500 3.849 3.602 4.230 . 0 0 "[ . 1 . 2]" 1
1472 1 73 THR H 1 75 GLY H . . 4.780 4.515 4.176 4.835 0.055 12 0 "[ . 1 . 2]" 1
1473 1 73 THR HB 1 74 LYS QD . . 4.910 4.824 4.438 5.015 0.105 11 0 "[ . 1 . 2]" 1
1474 1 73 THR MG 1 74 LYS H . . 4.650 2.609 2.122 3.129 . 0 0 "[ . 1 . 2]" 1
1475 1 73 THR MG 1 74 LYS HA . . 4.530 3.938 3.637 4.191 . 0 0 "[ . 1 . 2]" 1
1476 1 73 THR MG 1 74 LYS HB3 . . 5.220 4.472 4.363 4.636 . 0 0 "[ . 1 . 2]" 1
1477 1 73 THR MG 1 74 LYS QD . . 3.310 2.295 1.964 2.625 . 0 0 "[ . 1 . 2]" 1
1478 1 73 THR MG 1 74 LYS QE . . 4.020 3.625 2.865 4.145 0.125 11 0 "[ . 1 . 2]" 1
1479 1 73 THR MG 1 74 LYS HG2 . . 3.190 3.308 3.268 3.319 0.129 18 0 "[ . 1 . 2]" 1
1480 1 73 THR MG 1 74 LYS HG3 . . 2.910 2.045 1.977 2.113 . 0 0 "[ . 1 . 2]" 1
1481 1 73 THR MG 1 75 GLY H . . 5.100 4.473 4.248 4.771 . 0 0 "[ . 1 . 2]" 1
1482 1 74 LYS H 1 74 LYS HB2 . . 3.880 2.864 2.595 3.313 . 0 0 "[ . 1 . 2]" 1
1483 1 74 LYS H 1 74 LYS QD . . 5.400 2.640 2.171 3.431 . 0 0 "[ . 1 . 2]" 1
1484 1 74 LYS H 1 74 LYS QE . . 5.500 4.502 3.957 4.932 . 0 0 "[ . 1 . 2]" 1
1485 1 74 LYS H 1 74 LYS HG2 . . 4.090 3.954 3.663 4.174 0.083 16 0 "[ . 1 . 2]" 1
1486 1 74 LYS H 1 75 GLY H . . 3.430 2.308 1.936 2.725 . 0 0 "[ . 1 . 2]" 1
1487 1 74 LYS H 1 75 GLY HA2 . . 5.350 4.156 3.629 4.479 . 0 0 "[ . 1 . 2]" 1
1488 1 74 LYS H 1 75 GLY HA3 . . 5.500 4.834 4.503 5.148 . 0 0 "[ . 1 . 2]" 1
1489 1 74 LYS H 1 76 GLU H . . 3.930 3.471 3.139 3.966 0.036 14 0 "[ . 1 . 2]" 1
1490 1 74 LYS HA 1 74 LYS HB2 . . 2.920 2.967 2.895 2.998 0.078 13 0 "[ . 1 . 2]" 1
1491 1 74 LYS HA 1 74 LYS QD . . 3.960 4.003 3.854 4.070 0.110 11 0 "[ . 1 . 2]" 1
1492 1 74 LYS HA 1 74 LYS QE . . 5.110 4.954 4.338 5.204 0.094 5 0 "[ . 1 . 2]" 1
1493 1 74 LYS HA 1 74 LYS HG2 . . 3.580 3.423 2.913 3.652 0.072 12 0 "[ . 1 . 2]" 1
1494 1 74 LYS HA 1 74 LYS HG3 . . 3.230 2.808 2.628 3.067 . 0 0 "[ . 1 . 2]" 1
1495 1 74 LYS HA 1 75 GLY H . . 3.520 3.591 3.564 3.603 0.083 12 0 "[ . 1 . 2]" 1
1496 1 74 LYS HA 1 75 GLY HA2 . . 4.930 4.808 4.528 4.959 0.029 15 0 "[ . 1 . 2]" 1
1497 1 74 LYS HB2 1 74 LYS QD . . 3.030 2.165 2.059 2.367 . 0 0 "[ . 1 . 2]" 1
1498 1 74 LYS HB2 1 74 LYS QE . . 3.860 3.257 2.081 3.884 0.024 5 0 "[ . 1 . 2]" 1
1499 1 74 LYS HB2 1 75 GLY H . . 4.350 2.476 1.982 3.141 . 0 0 "[ . 1 . 2]" 1
1500 1 74 LYS HB3 1 74 LYS QD . . 3.290 3.222 3.025 3.383 0.093 10 0 "[ . 1 . 2]" 1
1501 1 74 LYS HB3 1 74 LYS QE . . 4.160 3.512 2.522 4.054 . 0 0 "[ . 1 . 2]" 1
1502 1 74 LYS HB3 1 75 GLY H . . 4.280 3.788 3.300 4.325 0.045 16 0 "[ . 1 . 2]" 1
1503 1 74 LYS QD 1 74 LYS HG3 . . 2.530 2.144 2.050 2.244 . 0 0 "[ . 1 . 2]" 1
1504 1 74 LYS QD 1 75 GLY H . . 5.030 3.361 2.702 3.914 . 0 0 "[ . 1 . 2]" 1
1505 1 74 LYS QE 1 74 LYS HG3 . . 3.410 3.148 2.702 3.491 0.081 13 0 "[ . 1 . 2]" 1
1506 1 74 LYS HG3 1 75 GLY H . . 5.500 4.285 4.094 4.626 . 0 0 "[ . 1 . 2]" 1
1507 1 75 GLY H 1 76 GLU H . . 3.430 1.907 1.657 2.560 . 0 0 "[ . 1 . 2]" 1
1508 1 75 GLY H 1 76 GLU HA . . 4.200 4.281 4.249 4.300 0.100 10 0 "[ . 1 . 2]" 1
1509 1 75 GLY HA2 1 77 ASN H . . 5.500 5.442 5.070 5.568 0.068 9 0 "[ . 1 . 2]" 1
1510 1 75 GLY HA3 1 76 GLU HA . . 4.770 4.542 4.349 4.638 . 0 0 "[ . 1 . 2]" 1
1511 1 76 GLU H 1 77 ASN H . . 4.120 4.167 3.971 4.213 0.093 17 0 "[ . 1 . 2]" 1
1512 1 76 GLU HA 1 76 GLU HG2 . . 3.670 3.542 3.335 3.738 0.068 19 0 "[ . 1 . 2]" 1
1513 1 76 GLU HA 1 76 GLU HG3 . . 3.450 2.437 2.339 2.600 . 0 0 "[ . 1 . 2]" 1
1514 1 76 GLU HA 1 77 ASN H . . 2.660 2.097 1.990 2.239 . 0 0 "[ . 1 . 2]" 1
1515 1 76 GLU HA 1 77 ASN HD21 . . 5.500 5.579 5.560 5.594 0.094 12 0 "[ . 1 . 2]" 1
1516 1 76 GLU QB 1 77 ASN HA . . 4.590 4.552 4.184 4.686 0.096 10 0 "[ . 1 . 2]" 1
1517 1 76 GLU QB 1 78 PHE QE . . 5.250 5.148 4.637 5.351 0.101 14 0 "[ . 1 . 2]" 1
1518 1 76 GLU HG2 1 78 PHE QD . . 5.500 5.270 4.547 5.590 0.090 7 0 "[ . 1 . 2]" 1
1519 1 76 GLU HG2 1 78 PHE QE . . 5.170 3.985 2.937 4.460 . 0 0 "[ . 1 . 2]" 1
1520 1 76 GLU HG3 1 77 ASN H . . 4.040 2.933 2.631 3.436 . 0 0 "[ . 1 . 2]" 1
1521 1 76 GLU HG3 1 78 PHE QD . . 5.130 5.054 4.745 5.234 0.104 15 0 "[ . 1 . 2]" 1
1522 1 76 GLU HG3 1 78 PHE QE . . 4.770 4.368 3.542 4.796 0.026 15 0 "[ . 1 . 2]" 1
1523 1 77 ASN H 1 77 ASN HB2 . . 3.500 3.090 2.914 3.268 . 0 0 "[ . 1 . 2]" 1
1524 1 77 ASN H 1 77 ASN HB3 . . 3.340 3.230 3.083 3.406 0.066 7 0 "[ . 1 . 2]" 1
1525 1 77 ASN H 1 77 ASN HD21 . . 4.850 4.500 4.404 4.587 . 0 0 "[ . 1 . 2]" 1
1526 1 77 ASN H 1 78 PHE H . . 4.430 4.390 4.290 4.470 0.040 3 0 "[ . 1 . 2]" 1
1527 1 77 ASN H 1 78 PHE QE . . 5.500 5.434 5.025 5.597 0.097 15 0 "[ . 1 . 2]" 1
1528 1 77 ASN HA 1 77 ASN HB2 . . 2.990 2.707 2.680 2.744 . 0 0 "[ . 1 . 2]" 1
1529 1 77 ASN HA 1 77 ASN HB3 . . 2.940 2.997 2.975 3.012 0.072 10 0 "[ . 1 . 2]" 1
1530 1 77 ASN HA 1 77 ASN HD22 . . 5.350 3.313 3.142 3.454 . 0 0 "[ . 1 . 2]" 1
1531 1 77 ASN HA 1 78 PHE H . . 2.750 2.724 2.378 2.817 0.067 2 0 "[ . 1 . 2]" 1
1532 1 77 ASN HA 1 78 PHE QE . . 4.380 3.363 3.028 3.906 . 0 0 "[ . 1 . 2]" 1
1533 1 77 ASN HB2 1 78 PHE H . . 3.950 3.701 3.532 4.002 0.052 19 0 "[ . 1 . 2]" 1
1534 1 77 ASN HB3 1 78 PHE H . . 4.090 2.597 2.295 3.198 . 0 0 "[ . 1 . 2]" 1
1535 1 77 ASN HB3 1 79 THR MG . . 5.460 5.558 5.546 5.570 0.110 6 0 "[ . 1 . 2]" 1
1536 1 77 ASN HD21 1 78 PHE H . . 5.500 3.850 3.450 4.136 . 0 0 "[ . 1 . 2]" 1
1537 1 77 ASN HD21 1 78 PHE QE . . 4.140 3.960 3.044 4.222 0.082 19 0 "[ . 1 . 2]" 1
1538 1 77 ASN HD22 1 78 PHE H . . 5.500 3.684 3.431 4.003 . 0 0 "[ . 1 . 2]" 1
1539 1 77 ASN HD22 1 86 MET ME . . 5.300 5.280 4.334 5.408 0.108 18 0 "[ . 1 . 2]" 1
1540 1 78 PHE H 1 78 PHE HB2 . . 3.240 2.950 2.505 3.133 . 0 0 "[ . 1 . 2]" 1
1541 1 78 PHE H 1 78 PHE HB3 . . 3.810 3.828 3.689 3.883 0.073 2 0 "[ . 1 . 2]" 1
1542 1 78 PHE H 1 79 THR H . . 5.010 4.352 4.128 4.469 . 0 0 "[ . 1 . 2]" 1
1543 1 78 PHE H 1 86 MET ME . . 5.500 4.623 4.429 4.930 . 0 0 "[ . 1 . 2]" 1
1544 1 78 PHE HA 1 79 THR HA . . 4.770 4.486 4.313 4.726 . 0 0 "[ . 1 . 2]" 1
1545 1 78 PHE HA 1 79 THR MG . . 4.410 3.750 3.408 3.984 . 0 0 "[ . 1 . 2]" 1
1546 1 78 PHE HA 1 82 ASP HB2 . . 4.280 3.747 3.429 3.942 . 0 0 "[ . 1 . 2]" 1
1547 1 78 PHE HA 1 82 ASP HB3 . . 4.700 4.376 3.900 4.599 . 0 0 "[ . 1 . 2]" 1
1548 1 78 PHE HA 1 86 MET ME . . 5.220 4.909 4.498 5.279 0.059 14 0 "[ . 1 . 2]" 1
1549 1 78 PHE HB2 1 79 THR H . . 4.710 3.173 2.434 3.826 . 0 0 "[ . 1 . 2]" 1
1550 1 78 PHE HB2 1 79 THR MG . . 5.490 5.139 4.796 5.478 . 0 0 "[ . 1 . 2]" 1
1551 1 78 PHE HB2 1 82 ASP HB2 . . 4.480 3.020 2.360 3.820 . 0 0 "[ . 1 . 2]" 1
1552 1 78 PHE HB2 1 83 VAL H . . 5.150 3.479 3.242 4.024 . 0 0 "[ . 1 . 2]" 1
1553 1 78 PHE HB2 1 83 VAL MG1 . . 4.680 4.619 4.154 4.775 0.095 5 0 "[ . 1 . 2]" 1
1554 1 78 PHE HB2 1 86 MET ME . . 5.130 2.696 2.218 3.219 . 0 0 "[ . 1 . 2]" 1
1555 1 78 PHE HB3 1 79 THR H . . 4.180 2.625 2.091 2.885 . 0 0 "[ . 1 . 2]" 1
1556 1 78 PHE HB3 1 79 THR HA . . 5.030 5.024 4.718 5.108 0.078 8 0 "[ . 1 . 2]" 1
1557 1 78 PHE HB3 1 82 ASP H . . 5.020 4.355 3.962 4.544 . 0 0 "[ . 1 . 2]" 1
1558 1 78 PHE HB3 1 82 ASP HA . . 5.160 4.715 4.589 4.841 . 0 0 "[ . 1 . 2]" 1
1559 1 78 PHE HB3 1 82 ASP HB2 . . 4.440 2.216 2.057 2.378 . 0 0 "[ . 1 . 2]" 1
1560 1 78 PHE HB3 1 82 ASP HB3 . . 4.770 2.341 2.180 2.500 . 0 0 "[ . 1 . 2]" 1
1561 1 78 PHE HB3 1 83 VAL H . . 4.880 3.885 3.071 4.223 . 0 0 "[ . 1 . 2]" 1
1562 1 78 PHE HB3 1 86 MET ME . . 5.240 3.237 2.555 3.759 . 0 0 "[ . 1 . 2]" 1
1563 1 78 PHE QD 1 83 VAL HA . . 4.610 4.645 4.501 4.704 0.094 1 0 "[ . 1 . 2]" 1
1564 1 78 PHE QD 1 83 VAL MG1 . . 4.620 4.719 4.692 4.742 0.122 16 0 "[ . 1 . 2]" 1
1565 1 78 PHE QD 1 86 MET ME . . 4.980 2.525 2.294 2.692 . 0 0 "[ . 1 . 2]" 1
1566 1 78 PHE QE 1 83 VAL MG2 . . 5.050 4.572 4.248 5.098 0.048 10 0 "[ . 1 . 2]" 1
1567 1 78 PHE QE 1 86 MET ME . . 3.730 3.025 2.666 3.396 . 0 0 "[ . 1 . 2]" 1
1568 1 78 PHE QE 1 86 MET HG3 . . 5.500 5.367 5.153 5.669 0.169 17 0 "[ . 1 . 2]" 1
1569 1 79 THR H 1 79 THR HB . . 3.890 3.553 3.400 3.785 . 0 0 "[ . 1 . 2]" 1
1570 1 79 THR H 1 79 THR MG . . 3.650 2.744 2.482 3.354 . 0 0 "[ . 1 . 2]" 1
1571 1 79 THR H 1 80 GLU H . . 5.500 4.578 4.313 4.660 . 0 0 "[ . 1 . 2]" 1
1572 1 79 THR H 1 81 THR H . . 5.500 4.905 4.465 5.194 . 0 0 "[ . 1 . 2]" 1
1573 1 79 THR H 1 82 ASP H . . 4.410 3.370 2.953 3.707 . 0 0 "[ . 1 . 2]" 1
1574 1 79 THR H 1 83 VAL H . . 5.200 3.920 3.033 4.229 . 0 0 "[ . 1 . 2]" 1
1575 1 79 THR HA 1 79 THR HB . . 2.840 2.581 2.478 2.745 . 0 0 "[ . 1 . 2]" 1
1576 1 79 THR HA 1 79 THR MG . . 2.900 2.211 2.053 2.386 . 0 0 "[ . 1 . 2]" 1
1577 1 79 THR HA 1 80 GLU H . . 3.150 2.449 2.370 2.587 . 0 0 "[ . 1 . 2]" 1
1578 1 79 THR HA 1 80 GLU HA . . 4.890 4.349 4.165 4.513 . 0 0 "[ . 1 . 2]" 1
1579 1 79 THR HA 1 81 THR H . . 4.550 4.451 4.212 4.604 0.054 5 0 "[ . 1 . 2]" 1
1580 1 79 THR HB 1 80 GLU H . . 3.100 2.610 2.431 2.797 . 0 0 "[ . 1 . 2]" 1
1581 1 79 THR HB 1 80 GLU HB2 . . 4.780 4.672 4.417 4.860 0.080 9 0 "[ . 1 . 2]" 1
1582 1 79 THR HB 1 80 GLU HB3 . . 4.300 4.164 3.663 4.370 0.070 11 0 "[ . 1 . 2]" 1
1583 1 79 THR HB 1 81 THR H . . 2.880 2.890 2.626 2.954 0.074 12 0 "[ . 1 . 2]" 1
1584 1 79 THR HB 1 81 THR HB . . 4.880 3.993 3.716 4.275 . 0 0 "[ . 1 . 2]" 1
1585 1 79 THR HB 1 82 ASP H . . 3.820 3.810 3.631 3.898 0.078 7 0 "[ . 1 . 2]" 1
1586 1 79 THR HB 1 83 VAL H . . 5.130 5.170 5.063 5.213 0.083 15 0 "[ . 1 . 2]" 1
1587 1 79 THR MG 1 80 GLU H . . 4.330 3.531 3.086 3.962 . 0 0 "[ . 1 . 2]" 1
1588 1 79 THR MG 1 81 THR H . . 4.880 4.482 4.215 4.566 . 0 0 "[ . 1 . 2]" 1
1589 1 79 THR MG 1 81 THR HB . . 5.140 4.943 4.335 5.243 0.103 5 0 "[ . 1 . 2]" 1
1590 1 79 THR MG 1 82 ASP H . . 5.170 4.584 3.953 4.884 . 0 0 "[ . 1 . 2]" 1
1591 1 79 THR MG 1 82 ASP HB2 . . 5.490 4.528 3.823 4.970 . 0 0 "[ . 1 . 2]" 1
1592 1 79 THR MG 1 83 VAL H . . 5.470 5.553 5.304 5.589 0.119 12 0 "[ . 1 . 2]" 1
1593 1 80 GLU H 1 80 GLU HB2 . . 3.320 2.290 2.102 2.504 . 0 0 "[ . 1 . 2]" 1
1594 1 80 GLU H 1 80 GLU HG3 . . 4.310 4.311 4.121 4.516 0.206 2 0 "[ . 1 . 2]" 1
1595 1 80 GLU H 1 81 THR H . . 3.560 2.967 2.840 3.137 . 0 0 "[ . 1 . 2]" 1
1596 1 80 GLU H 1 81 THR HB . . 5.290 5.315 5.127 5.369 0.079 3 0 "[ . 1 . 2]" 1
1597 1 80 GLU H 1 82 ASP H . . 5.500 4.532 4.283 4.715 . 0 0 "[ . 1 . 2]" 1
1598 1 80 GLU H 1 83 VAL MG1 . . 5.500 5.567 5.470 5.599 0.099 10 0 "[ . 1 . 2]" 1
1599 1 80 GLU HA 1 80 GLU HB2 . . 3.030 2.490 2.397 2.547 . 0 0 "[ . 1 . 2]" 1
1600 1 80 GLU HA 1 80 GLU HB3 . . 3.020 3.041 3.014 3.055 0.035 8 0 "[ . 1 . 2]" 1
1601 1 80 GLU HA 1 80 GLU HG2 . . 3.600 3.083 2.771 3.382 . 0 0 "[ . 1 . 2]" 1
1602 1 80 GLU HA 1 80 GLU HG3 . . 3.320 2.516 2.282 2.748 . 0 0 "[ . 1 . 2]" 1
1603 1 80 GLU HA 1 81 THR HA . . 4.830 4.794 4.720 4.889 0.059 8 0 "[ . 1 . 2]" 1
1604 1 80 GLU HA 1 82 ASP H . . 4.830 4.579 4.176 4.871 0.041 19 0 "[ . 1 . 2]" 1
1605 1 80 GLU HA 1 83 VAL H . . 3.790 3.470 3.213 3.645 . 0 0 "[ . 1 . 2]" 1
1606 1 80 GLU HA 1 83 VAL HB . . 2.830 2.226 2.066 2.375 . 0 0 "[ . 1 . 2]" 1
1607 1 80 GLU HA 1 83 VAL MG1 . . 3.450 3.514 3.449 3.545 0.095 8 0 "[ . 1 . 2]" 1
1608 1 80 GLU HA 1 83 VAL MG2 . . 4.080 2.999 2.617 3.358 . 0 0 "[ . 1 . 2]" 1
1609 1 80 GLU HB2 1 81 THR H . . 3.810 3.879 3.850 3.895 0.085 18 0 "[ . 1 . 2]" 1
1610 1 80 GLU HB2 1 83 VAL MG1 . . 5.340 5.317 5.189 5.430 0.090 11 0 "[ . 1 . 2]" 1
1611 1 80 GLU HB3 1 81 THR H . . 3.800 2.651 2.497 2.878 . 0 0 "[ . 1 . 2]" 1
1612 1 80 GLU HB3 1 81 THR HA . . 4.960 4.318 4.178 4.502 . 0 0 "[ . 1 . 2]" 1
1613 1 80 GLU HG2 1 81 THR H . . 5.240 3.929 3.238 4.383 . 0 0 "[ . 1 . 2]" 1
1614 1 80 GLU HG2 1 81 THR HA . . 5.110 3.933 3.188 4.471 . 0 0 "[ . 1 . 2]" 1
1615 1 80 GLU HG2 1 83 VAL MG1 . . 5.460 5.032 4.589 5.548 0.088 4 0 "[ . 1 . 2]" 1
1616 1 80 GLU HG2 1 83 VAL MG2 . . 5.500 5.453 4.957 5.795 0.295 4 0 "[ . 1 . 2]" 1
1617 1 80 GLU HG2 1 84 LYS QB . . 5.170 3.644 3.069 4.177 . 0 0 "[ . 1 . 2]" 1
1618 1 80 GLU HG2 1 84 LYS QG . . 5.250 4.683 3.527 5.112 . 0 0 "[ . 1 . 2]" 1
1619 1 80 GLU HG3 1 81 THR H . . 5.050 4.813 4.305 5.053 0.003 14 0 "[ . 1 . 2]" 1
1620 1 80 GLU HG3 1 81 THR HA . . 5.490 5.325 4.409 5.566 0.076 13 0 "[ . 1 . 2]" 1
1621 1 80 GLU HG3 1 83 VAL HB . . 5.410 3.928 3.506 4.503 . 0 0 "[ . 1 . 2]" 1
1622 1 81 THR H 1 81 THR HB . . 3.130 2.628 2.419 2.799 . 0 0 "[ . 1 . 2]" 1
1623 1 81 THR H 1 81 THR MG . . 4.340 3.718 3.526 3.851 . 0 0 "[ . 1 . 2]" 1
1624 1 81 THR H 1 82 ASP H . . 3.470 2.856 2.707 3.061 . 0 0 "[ . 1 . 2]" 1
1625 1 81 THR H 1 83 VAL H . . 5.500 4.081 3.897 4.293 . 0 0 "[ . 1 . 2]" 1
1626 1 81 THR HA 1 81 THR MG . . 3.510 2.363 2.270 2.468 . 0 0 "[ . 1 . 2]" 1
1627 1 81 THR HA 1 83 VAL H . . 5.460 4.543 4.366 4.732 . 0 0 "[ . 1 . 2]" 1
1628 1 81 THR HA 1 84 LYS H . . 4.220 3.456 3.102 3.642 . 0 0 "[ . 1 . 2]" 1
1629 1 81 THR HA 1 84 LYS QB . . 3.790 3.372 2.283 3.894 0.104 16 0 "[ . 1 . 2]" 1
1630 1 81 THR HA 1 84 LYS QD . . 4.120 2.879 2.387 3.679 . 0 0 "[ . 1 . 2]" 1
1631 1 81 THR HA 1 84 LYS QE . . 4.550 3.775 2.084 4.629 0.079 20 0 "[ . 1 . 2]" 1
1632 1 81 THR HA 1 84 LYS QG . . 4.850 3.121 2.022 4.453 . 0 0 "[ . 1 . 2]" 1
1633 1 81 THR HA 1 85 MET H . . 4.950 4.203 3.905 4.797 . 0 0 "[ . 1 . 2]" 1
1634 1 81 THR HA 1 85 MET HG2 . . 5.100 4.077 3.596 4.877 . 0 0 "[ . 1 . 2]" 1
1635 1 81 THR HB 1 82 ASP H . . 3.590 2.657 2.243 3.019 . 0 0 "[ . 1 . 2]" 1
1636 1 81 THR HB 1 83 VAL H . . 4.980 4.949 4.713 5.059 0.079 9 0 "[ . 1 . 2]" 1
1637 1 81 THR MG 1 82 ASP H . . 4.750 3.723 3.461 4.202 . 0 0 "[ . 1 . 2]" 1
1638 1 81 THR MG 1 82 ASP HA . . 4.810 3.929 3.496 4.652 . 0 0 "[ . 1 . 2]" 1
1639 1 81 THR MG 1 83 VAL H . . 5.500 5.279 5.027 5.568 0.068 3 0 "[ . 1 . 2]" 1
1640 1 81 THR MG 1 84 LYS H . . 5.500 4.870 4.543 5.181 . 0 0 "[ . 1 . 2]" 1
1641 1 81 THR MG 1 84 LYS QD . . 5.050 3.599 3.208 4.326 . 0 0 "[ . 1 . 2]" 1
1642 1 81 THR MG 1 84 LYS QE . . 4.990 3.436 2.042 4.340 . 0 0 "[ . 1 . 2]" 1
1643 1 81 THR MG 1 84 LYS QG . . 5.500 3.963 3.140 5.089 . 0 0 "[ . 1 . 2]" 1
1644 1 81 THR MG 1 85 MET H . . 5.200 4.423 3.959 5.253 0.053 17 0 "[ . 1 . 2]" 1
1645 1 81 THR MG 1 85 MET ME . . 3.430 3.379 2.399 3.564 0.134 18 0 "[ . 1 . 2]" 1
1646 1 81 THR MG 1 85 MET HG2 . . 4.620 3.246 2.787 4.252 . 0 0 "[ . 1 . 2]" 1
1647 1 81 THR MG 1 85 MET HG3 . . 4.270 3.071 2.402 4.363 0.093 17 0 "[ . 1 . 2]" 1
1648 1 82 ASP H 1 83 VAL H . . 3.610 2.513 2.192 2.757 . 0 0 "[ . 1 . 2]" 1
1649 1 82 ASP H 1 83 VAL HB . . 4.800 4.608 4.237 4.852 0.052 8 0 "[ . 1 . 2]" 1
1650 1 82 ASP H 1 83 VAL MG2 . . 5.500 4.039 3.758 4.272 . 0 0 "[ . 1 . 2]" 1
1651 1 82 ASP H 1 84 LYS H . . 5.340 4.210 3.620 4.598 . 0 0 "[ . 1 . 2]" 1
1652 1 82 ASP H 1 85 MET H . . 5.420 4.711 4.448 4.931 . 0 0 "[ . 1 . 2]" 1
1653 1 82 ASP HA 1 84 LYS H . . 5.500 4.536 4.119 4.845 . 0 0 "[ . 1 . 2]" 1
1654 1 82 ASP HA 1 85 MET H . . 4.520 3.365 3.024 3.695 . 0 0 "[ . 1 . 2]" 1
1655 1 82 ASP HA 1 85 MET HB2 . . 4.780 2.718 2.434 3.516 . 0 0 "[ . 1 . 2]" 1
1656 1 82 ASP HA 1 85 MET HB3 . . 4.320 4.288 4.032 4.768 0.448 17 0 "[ . 1 . 2]" 1
1657 1 82 ASP HA 1 85 MET HG2 . . 3.900 3.725 3.233 3.958 0.058 15 0 "[ . 1 . 2]" 1
1658 1 82 ASP HA 1 85 MET HG3 . . 5.060 2.802 2.112 3.478 . 0 0 "[ . 1 . 2]" 1
1659 1 82 ASP HA 1 86 MET H . . 5.400 3.997 3.786 4.471 . 0 0 "[ . 1 . 2]" 1
1660 1 82 ASP HA 1 86 MET ME . . 4.600 4.579 4.111 4.707 0.107 3 0 "[ . 1 . 2]" 1
1661 1 82 ASP HB2 1 83 VAL H . . 3.490 2.643 2.259 2.964 . 0 0 "[ . 1 . 2]" 1
1662 1 82 ASP HB3 1 83 VAL MG2 . . 4.220 3.979 3.592 4.300 0.080 14 0 "[ . 1 . 2]" 1
1663 1 82 ASP HB3 1 86 MET ME . . 4.290 3.130 2.759 3.634 . 0 0 "[ . 1 . 2]" 1
1664 1 83 VAL H 1 83 VAL HB . . 3.150 2.467 2.337 2.589 . 0 0 "[ . 1 . 2]" 1
1665 1 83 VAL H 1 83 VAL MG2 . . 4.280 2.163 2.062 2.296 . 0 0 "[ . 1 . 2]" 1
1666 1 83 VAL H 1 84 LYS H . . 3.650 2.939 2.779 3.071 . 0 0 "[ . 1 . 2]" 1
1667 1 83 VAL HA 1 83 VAL MG1 . . 3.120 2.484 2.419 2.566 . 0 0 "[ . 1 . 2]" 1
1668 1 83 VAL HA 1 83 VAL MG2 . . 3.340 2.348 2.238 2.450 . 0 0 "[ . 1 . 2]" 1
1669 1 83 VAL HA 1 85 MET H . . 5.380 4.366 4.009 4.679 . 0 0 "[ . 1 . 2]" 1
1670 1 83 VAL HA 1 86 MET H . . 4.600 3.474 3.227 3.715 . 0 0 "[ . 1 . 2]" 1
1671 1 83 VAL HA 1 86 MET HA . . 5.500 5.389 5.175 5.566 0.066 4 0 "[ . 1 . 2]" 1
1672 1 83 VAL HA 1 86 MET HB2 . . 4.100 2.633 2.352 2.868 . 0 0 "[ . 1 . 2]" 1
1673 1 83 VAL HA 1 86 MET ME . . 3.230 1.880 1.810 1.943 . 0 0 "[ . 1 . 2]" 1
1674 1 83 VAL HA 1 86 MET HG2 . . 5.170 4.784 4.225 5.229 0.059 11 0 "[ . 1 . 2]" 1
1675 1 83 VAL HA 1 86 MET HG3 . . 5.480 3.858 3.242 5.015 . 0 0 "[ . 1 . 2]" 1
1676 1 83 VAL HA 1 87 GLU H . . 4.770 4.238 3.993 4.547 . 0 0 "[ . 1 . 2]" 1
1677 1 83 VAL HB 1 84 LYS H . . 3.480 2.770 2.578 2.991 . 0 0 "[ . 1 . 2]" 1
1678 1 83 VAL MG1 1 84 LYS H . . 4.620 3.445 3.207 3.682 . 0 0 "[ . 1 . 2]" 1
1679 1 83 VAL MG1 1 86 MET H . . 5.500 4.869 4.652 5.120 . 0 0 "[ . 1 . 2]" 1
1680 1 83 VAL MG1 1 86 MET HB2 . . 5.150 3.869 3.646 4.130 . 0 0 "[ . 1 . 2]" 1
1681 1 83 VAL MG1 1 86 MET ME . . 3.940 2.941 2.778 3.312 . 0 0 "[ . 1 . 2]" 1
1682 1 83 VAL MG2 1 84 LYS H . . 4.390 4.065 3.981 4.151 . 0 0 "[ . 1 . 2]" 1
1683 1 83 VAL MG2 1 84 LYS QB . . 5.390 5.368 4.978 5.517 0.127 20 0 "[ . 1 . 2]" 1
1684 1 83 VAL MG2 1 85 MET H . . 5.500 5.420 5.269 5.575 0.075 4 0 "[ . 1 . 2]" 1
1685 1 83 VAL MG2 1 86 MET ME . . 3.580 2.319 2.105 2.695 . 0 0 "[ . 1 . 2]" 1
1686 1 83 VAL MG2 1 86 MET HG3 . . 5.310 5.106 4.530 6.095 0.785 9 5 "[ * . *+1 .*- 2]" 1
1687 1 84 LYS H 1 84 LYS QB . . 3.300 2.299 1.963 2.562 . 0 0 "[ . 1 . 2]" 1
1688 1 84 LYS H 1 84 LYS QG . . 4.110 2.903 2.187 3.847 . 0 0 "[ . 1 . 2]" 1
1689 1 84 LYS H 1 85 MET H . . 3.380 2.663 2.511 2.780 . 0 0 "[ . 1 . 2]" 1
1690 1 84 LYS H 1 85 MET HG3 . . 5.500 5.257 4.396 5.558 0.058 6 0 "[ . 1 . 2]" 1
1691 1 84 LYS H 1 86 MET H . . 5.220 4.142 3.997 4.305 . 0 0 "[ . 1 . 2]" 1
1692 1 84 LYS H 1 87 GLU H . . 5.500 4.793 4.576 5.009 . 0 0 "[ . 1 . 2]" 1
1693 1 84 LYS HA 1 84 LYS QG . . 3.630 3.023 2.179 3.322 . 0 0 "[ . 1 . 2]" 1
1694 1 84 LYS HA 1 86 MET ME . . 5.470 5.565 5.527 5.584 0.114 13 0 "[ . 1 . 2]" 1
1695 1 84 LYS HA 1 87 GLU HB2 . . 3.580 2.611 2.265 3.059 . 0 0 "[ . 1 . 2]" 1
1696 1 84 LYS HA 1 88 ARG H . . 5.330 4.660 4.061 5.179 . 0 0 "[ . 1 . 2]" 1
1697 1 84 LYS QB 1 84 LYS QD . . 3.250 2.188 2.037 2.379 . 0 0 "[ . 1 . 2]" 1
1698 1 84 LYS QB 1 84 LYS QE . . 4.380 3.162 2.044 3.676 . 0 0 "[ . 1 . 2]" 1
1699 1 84 LYS QB 1 85 MET HA . . 4.430 4.433 3.746 4.540 0.110 16 0 "[ . 1 . 2]" 1
1700 1 84 LYS QE 1 85 MET H . . 5.500 4.498 3.942 5.270 . 0 0 "[ . 1 . 2]" 1
1701 1 84 LYS QE 1 85 MET HG2 . . 5.430 3.617 2.649 4.947 . 0 0 "[ . 1 . 2]" 1
1702 1 84 LYS QG 1 85 MET H . . 5.500 2.893 2.308 4.360 . 0 0 "[ . 1 . 2]" 1
1703 1 84 LYS QG 1 85 MET HA . . 5.500 3.489 3.002 5.270 . 0 0 "[ . 1 . 2]" 1
1704 1 84 LYS QG 1 87 GLU HB2 . . 5.500 4.741 3.867 5.239 . 0 0 "[ . 1 . 2]" 1
1705 1 85 MET H 1 85 MET HB3 . . 3.550 3.629 3.584 3.681 0.131 10 0 "[ . 1 . 2]" 1
1706 1 85 MET H 1 85 MET ME . . 5.500 4.509 3.761 4.901 . 0 0 "[ . 1 . 2]" 1
1707 1 85 MET H 1 85 MET HG2 . . 3.560 2.320 2.070 2.596 . 0 0 "[ . 1 . 2]" 1
1708 1 85 MET H 1 85 MET HG3 . . 3.860 3.170 2.326 3.489 . 0 0 "[ . 1 . 2]" 1
1709 1 85 MET H 1 86 MET H . . 3.720 2.536 2.372 2.662 . 0 0 "[ . 1 . 2]" 1
1710 1 85 MET H 1 86 MET HA . . 5.500 5.202 5.076 5.296 . 0 0 "[ . 1 . 2]" 1
1711 1 85 MET H 1 87 GLU H . . 4.930 4.193 3.985 4.476 . 0 0 "[ . 1 . 2]" 1
1712 1 85 MET H 1 88 ARG H . . 5.220 4.936 4.691 5.128 . 0 0 "[ . 1 . 2]" 1
1713 1 85 MET HA 1 85 MET ME . . 4.310 3.763 2.983 4.317 0.007 15 0 "[ . 1 . 2]" 1
1714 1 85 MET HA 1 85 MET HG2 . . 3.670 2.794 2.619 3.050 . 0 0 "[ . 1 . 2]" 1
1715 1 85 MET HA 1 85 MET HG3 . . 4.030 3.820 3.695 3.877 . 0 0 "[ . 1 . 2]" 1
1716 1 85 MET HA 1 86 MET HA . . 5.330 4.855 4.772 4.958 . 0 0 "[ . 1 . 2]" 1
1717 1 85 MET HA 1 87 GLU H . . 4.790 4.516 4.116 4.750 . 0 0 "[ . 1 . 2]" 1
1718 1 85 MET HB2 1 86 MET H . . 4.110 2.706 2.443 2.880 . 0 0 "[ . 1 . 2]" 1
1719 1 85 MET ME 1 85 MET HG3 . . 3.850 2.491 2.147 3.268 . 0 0 "[ . 1 . 2]" 1
1720 1 85 MET ME 1 86 MET H . . 5.500 5.518 5.247 5.614 0.114 9 0 "[ . 1 . 2]" 1
1721 1 86 MET H 1 86 MET HB2 . . 3.600 2.430 2.268 2.620 . 0 0 "[ . 1 . 2]" 1
1722 1 86 MET H 1 86 MET HG3 . . 4.210 2.796 2.430 3.608 . 0 0 "[ . 1 . 2]" 1
1723 1 86 MET H 1 87 GLU H . . 3.920 2.895 2.749 3.035 . 0 0 "[ . 1 . 2]" 1
1724 1 86 MET H 1 88 ARG H . . 5.270 4.124 3.903 4.399 . 0 0 "[ . 1 . 2]" 1
1725 1 86 MET HA 1 88 ARG H . . 5.320 3.984 3.579 4.388 . 0 0 "[ . 1 . 2]" 1
1726 1 86 MET HA 1 89 VAL HA . . 5.420 5.422 5.051 5.503 0.083 11 0 "[ . 1 . 2]" 1
1727 1 86 MET HA 1 89 VAL QG . . 3.350 2.106 1.914 2.456 . 0 0 "[ . 1 . 2]" 1
1728 1 86 MET HA 1 90 VAL QG . . 4.780 3.019 2.600 3.341 . 0 0 "[ . 1 . 2]" 1
1729 1 86 MET HB2 1 86 MET ME . . 3.700 2.182 2.081 2.356 . 0 0 "[ . 1 . 2]" 1
1730 1 86 MET HB2 1 87 GLU H . . 3.900 2.729 2.501 2.892 . 0 0 "[ . 1 . 2]" 1
1731 1 86 MET HB3 1 86 MET ME . . 4.880 2.977 2.729 3.317 . 0 0 "[ . 1 . 2]" 1
1732 1 86 MET HB3 1 87 GLU HA . . 5.000 4.266 4.014 4.480 . 0 0 "[ . 1 . 2]" 1
1733 1 86 MET HB3 1 87 GLU HB2 . . 5.470 5.448 5.216 5.543 0.073 20 0 "[ . 1 . 2]" 1
1734 1 86 MET HB3 1 90 VAL QG . . 4.970 2.624 2.178 3.042 . 0 0 "[ . 1 . 2]" 1
1735 1 86 MET HG3 1 90 VAL QG . . 5.500 4.411 2.999 5.070 . 0 0 "[ . 1 . 2]" 1
1736 1 87 GLU H 1 87 GLU HB2 . . 3.090 2.206 2.065 2.371 . 0 0 "[ . 1 . 2]" 1
1737 1 87 GLU H 1 87 GLU HB3 . . 3.520 3.450 3.165 3.584 0.064 20 0 "[ . 1 . 2]" 1
1738 1 87 GLU H 1 87 GLU HG3 . . 3.750 3.245 2.349 3.825 0.075 12 0 "[ . 1 . 2]" 1
1739 1 87 GLU H 1 88 ARG H . . 3.610 2.926 2.792 3.040 . 0 0 "[ . 1 . 2]" 1
1740 1 87 GLU HA 1 87 GLU HG2 . . 3.580 2.212 2.058 2.676 . 0 0 "[ . 1 . 2]" 1
1741 1 87 GLU HA 1 87 GLU HG3 . . 3.720 2.936 2.643 3.549 . 0 0 "[ . 1 . 2]" 1
1742 1 87 GLU HB2 1 88 ARG H . . 3.720 3.389 2.834 3.780 0.060 14 0 "[ . 1 . 2]" 1
1743 1 87 GLU HB3 1 88 ARG HA . . 4.180 4.167 3.934 4.266 0.086 19 0 "[ . 1 . 2]" 1
1744 1 87 GLU HG3 1 88 ARG H . . 5.500 5.206 4.776 5.576 0.076 13 0 "[ . 1 . 2]" 1
1745 1 88 ARG H 1 88 ARG HB2 . . 3.170 2.268 2.034 2.536 . 0 0 "[ . 1 . 2]" 1
1746 1 88 ARG H 1 88 ARG HB3 . . 3.580 3.399 2.900 3.653 0.073 6 0 "[ . 1 . 2]" 1
1747 1 88 ARG H 1 88 ARG HD2 . . 5.440 4.325 2.385 5.480 0.040 13 0 "[ . 1 . 2]" 1
1748 1 88 ARG H 1 88 ARG HD3 . . 5.450 4.658 3.850 5.184 . 0 0 "[ . 1 . 2]" 1
1749 1 88 ARG H 1 89 VAL QG . . 5.500 4.145 3.615 4.603 . 0 0 "[ . 1 . 2]" 1
1750 1 88 ARG H 1 90 VAL H . . 4.880 3.989 3.581 4.303 . 0 0 "[ . 1 . 2]" 1
1751 1 88 ARG HA 1 88 ARG HD2 . . 3.520 3.452 2.210 4.316 0.796 10 9 "[ * *+-* *.** *]" 1
1752 1 88 ARG HA 1 88 ARG HD3 . . 4.230 3.547 2.611 4.309 0.079 15 0 "[ . 1 . 2]" 1
1753 1 88 ARG HA 1 88 ARG HE . . 5.030 3.257 2.309 4.236 . 0 0 "[ . 1 . 2]" 1
1754 1 88 ARG HA 1 88 ARG HG2 . . 3.820 3.007 2.252 3.691 . 0 0 "[ . 1 . 2]" 1
1755 1 88 ARG HA 1 88 ARG HG3 . . 3.820 3.090 2.270 3.727 . 0 0 "[ . 1 . 2]" 1
1756 1 88 ARG HA 1 90 VAL H . . 5.500 4.709 4.549 4.896 . 0 0 "[ . 1 . 2]" 1
1757 1 88 ARG HA 1 91 GLU H . . 4.410 3.985 3.624 4.276 . 0 0 "[ . 1 . 2]" 1
1758 1 88 ARG HA 1 91 GLU HB2 . . 4.020 4.009 3.719 4.186 0.166 3 0 "[ . 1 . 2]" 1
1759 1 88 ARG HA 1 91 GLU HB3 . . 4.120 3.114 2.788 3.424 . 0 0 "[ . 1 . 2]" 1
1760 1 88 ARG HA 1 91 GLU HG2 . . 5.420 5.299 4.930 5.501 0.081 8 0 "[ . 1 . 2]" 1
1761 1 88 ARG HA 1 92 GLN H . . 4.740 4.156 3.799 4.693 . 0 0 "[ . 1 . 2]" 1
1762 1 88 ARG HB2 1 88 ARG HD2 . . 4.090 3.208 2.184 4.062 . 0 0 "[ . 1 . 2]" 1
1763 1 88 ARG HB2 1 88 ARG HD3 . . 4.040 3.167 2.344 3.932 . 0 0 "[ . 1 . 2]" 1
1764 1 88 ARG HB2 1 88 ARG HE . . 5.230 4.510 3.592 5.081 . 0 0 "[ . 1 . 2]" 1
1765 1 88 ARG HB2 1 89 VAL QG . . 5.500 4.362 3.404 5.076 . 0 0 "[ . 1 . 2]" 1
1766 1 88 ARG HB2 1 90 VAL H . . 5.500 5.245 4.925 5.649 0.149 7 0 "[ . 1 . 2]" 1
1767 1 88 ARG HB3 1 88 ARG HD2 . . 3.930 3.361 2.868 3.624 . 0 0 "[ . 1 . 2]" 1
1768 1 88 ARG HB3 1 88 ARG HD3 . . 3.960 2.932 2.102 4.012 0.052 15 0 "[ . 1 . 2]" 1
1769 1 88 ARG HB3 1 88 ARG HE . . 4.690 4.061 2.438 4.734 0.044 1 0 "[ . 1 . 2]" 1
1770 1 88 ARG HB3 1 89 VAL H . . 4.460 3.013 2.307 3.627 . 0 0 "[ . 1 . 2]" 1
1771 1 88 ARG HE 1 92 GLN HE21 . . 5.110 4.911 4.119 5.188 0.078 15 0 "[ . 1 . 2]" 1
1772 1 89 VAL H 1 90 VAL QG . . 4.910 4.122 3.803 4.338 . 0 0 "[ . 1 . 2]" 1
1773 1 89 VAL H 1 92 GLN QG . . 5.500 5.037 4.553 5.232 . 0 0 "[ . 1 . 2]" 1
1774 1 89 VAL HA 1 90 VAL QG . . 5.270 4.774 4.687 4.848 . 0 0 "[ . 1 . 2]" 1
1775 1 89 VAL HA 1 92 GLN HB2 . . 4.380 2.673 2.240 2.970 . 0 0 "[ . 1 . 2]" 1
1776 1 89 VAL HA 1 92 GLN QG . . 5.230 3.540 3.185 3.851 . 0 0 "[ . 1 . 2]" 1
1777 1 89 VAL HB 1 90 VAL HA . . 5.300 5.158 4.001 5.401 0.101 14 0 "[ . 1 . 2]" 1
1778 1 89 VAL QG 1 90 VAL H . . 4.040 2.317 2.129 2.593 . 0 0 "[ . 1 . 2]" 1
1779 1 89 VAL QG 1 90 VAL HA . . 3.760 3.139 2.934 3.758 . 0 0 "[ . 1 . 2]" 1
1780 1 89 VAL QG 1 90 VAL QG . . 3.570 2.253 2.042 2.623 . 0 0 "[ . 1 . 2]" 1
1781 1 89 VAL QG 1 92 GLN H . . 5.500 4.430 4.257 4.661 . 0 0 "[ . 1 . 2]" 1
1782 1 89 VAL QG 1 92 GLN HB2 . . 5.410 3.606 3.242 3.862 . 0 0 "[ . 1 . 2]" 1
1783 1 89 VAL QG 1 92 GLN HB3 . . 5.500 4.683 4.123 5.012 . 0 0 "[ . 1 . 2]" 1
1784 1 89 VAL QG 1 93 MET H . . 3.900 3.779 3.704 3.884 . 0 0 "[ . 1 . 2]" 1
1785 1 89 VAL QG 1 93 MET ME . . 3.420 2.390 1.981 3.235 . 0 0 "[ . 1 . 2]" 1
1786 1 89 VAL QG 1 93 MET HG3 . . 5.180 2.852 2.385 3.563 . 0 0 "[ . 1 . 2]" 1
1787 1 90 VAL H 1 90 VAL HB . . 3.270 2.447 2.270 2.840 . 0 0 "[ . 1 . 2]" 1
1788 1 90 VAL H 1 90 VAL QG . . 3.670 2.250 2.103 2.368 . 0 0 "[ . 1 . 2]" 1
1789 1 90 VAL H 1 91 GLU H . . 3.620 2.607 2.512 2.679 . 0 0 "[ . 1 . 2]" 1
1790 1 90 VAL H 1 92 GLN H . . 5.130 4.372 4.214 4.628 . 0 0 "[ . 1 . 2]" 1
1791 1 90 VAL H 1 93 MET ME . . 5.500 4.338 4.021 4.779 . 0 0 "[ . 1 . 2]" 1
1792 1 90 VAL HA 1 90 VAL QG . . 3.320 2.182 2.060 2.252 . 0 0 "[ . 1 . 2]" 1
1793 1 90 VAL HA 1 93 MET H . . 4.660 3.718 3.413 4.337 . 0 0 "[ . 1 . 2]" 1
1794 1 90 VAL HA 1 93 MET HB2 . . 3.780 2.790 2.381 3.659 . 0 0 "[ . 1 . 2]" 1
1795 1 90 VAL HA 1 93 MET HB3 . . 5.270 4.391 3.932 5.330 0.060 11 0 "[ . 1 . 2]" 1
1796 1 90 VAL HA 1 93 MET ME . . 3.030 2.666 2.136 3.119 0.089 3 0 "[ . 1 . 2]" 1
1797 1 90 VAL HA 1 93 MET HG3 . . 4.990 4.112 3.473 5.052 0.062 1 0 "[ . 1 . 2]" 1
1798 1 90 VAL HB 1 91 GLU H . . 3.120 2.775 2.524 3.203 0.083 11 0 "[ . 1 . 2]" 1
1799 1 90 VAL QG 1 91 GLU H . . 4.430 3.321 3.154 3.570 . 0 0 "[ . 1 . 2]" 1
1800 1 91 GLU H 1 91 GLU HB3 . . 3.290 2.544 2.410 2.719 . 0 0 "[ . 1 . 2]" 1
1801 1 91 GLU H 1 92 GLN H . . 3.600 2.967 2.835 3.048 . 0 0 "[ . 1 . 2]" 1
1802 1 91 GLU H 1 94 CYS H . . 5.500 4.721 4.542 5.135 . 0 0 "[ . 1 . 2]" 1
1803 1 91 GLU HA 1 91 GLU HG2 . . 3.830 3.110 2.791 3.275 . 0 0 "[ . 1 . 2]" 1
1804 1 91 GLU HA 1 91 GLU HG3 . . 3.850 2.477 2.278 2.770 . 0 0 "[ . 1 . 2]" 1
1805 1 91 GLU HB3 1 95 VAL MG2 . . 4.700 4.350 4.057 4.770 0.070 4 0 "[ . 1 . 2]" 1
1806 1 91 GLU HG2 1 92 GLN HA . . 5.220 3.536 3.111 3.965 . 0 0 "[ . 1 . 2]" 1
1807 1 91 GLU HG3 1 92 GLN HA . . 5.500 4.977 4.688 5.491 . 0 0 "[ . 1 . 2]" 1
1808 1 92 GLN H 1 92 GLN HB2 . . 3.020 2.404 2.174 2.589 . 0 0 "[ . 1 . 2]" 1
1809 1 92 GLN H 1 92 GLN HE21 . . 4.920 4.801 3.517 5.010 0.090 9 0 "[ . 1 . 2]" 1
1810 1 92 GLN H 1 92 GLN QG . . 4.160 2.225 1.903 2.666 . 0 0 "[ . 1 . 2]" 1
1811 1 92 GLN H 1 93 MET HG3 . . 5.500 5.146 4.887 5.417 . 0 0 "[ . 1 . 2]" 1
1812 1 92 GLN H 1 94 CYS H . . 4.690 4.412 4.088 4.699 0.009 11 0 "[ . 1 . 2]" 1
1813 1 92 GLN H 1 95 VAL H . . 5.330 4.722 4.564 4.823 . 0 0 "[ . 1 . 2]" 1
1814 1 92 GLN HA 1 92 GLN HE21 . . 4.800 4.608 3.771 4.863 0.063 8 0 "[ . 1 . 2]" 1
1815 1 92 GLN HA 1 92 GLN HE22 . . 5.380 4.730 3.869 5.123 . 0 0 "[ . 1 . 2]" 1
1816 1 92 GLN HA 1 92 GLN QG . . 3.530 2.599 2.229 3.054 . 0 0 "[ . 1 . 2]" 1
1817 1 92 GLN HA 1 94 CYS H . . 4.870 4.596 4.322 4.721 . 0 0 "[ . 1 . 2]" 1
1818 1 92 GLN HA 1 95 VAL H . . 3.900 3.511 3.030 3.774 . 0 0 "[ . 1 . 2]" 1
1819 1 92 GLN HA 1 95 VAL HB . . 3.570 2.482 2.122 2.792 . 0 0 "[ . 1 . 2]" 1
1820 1 92 GLN HA 1 95 VAL MG1 . . 3.850 3.643 3.270 3.927 0.077 15 0 "[ . 1 . 2]" 1
1821 1 92 GLN HA 1 95 VAL MG2 . . 4.410 3.161 2.314 3.564 . 0 0 "[ . 1 . 2]" 1
1822 1 92 GLN HA 1 96 THR H . . 4.530 3.892 3.670 4.171 . 0 0 "[ . 1 . 2]" 1
1823 1 92 GLN HB2 1 92 GLN HE21 . . 4.790 4.476 4.195 4.609 . 0 0 "[ . 1 . 2]" 1
1824 1 92 GLN HB3 1 95 VAL MG1 . . 5.500 5.188 4.671 5.550 0.050 13 0 "[ . 1 . 2]" 1
1825 1 92 GLN HE22 1 95 VAL MG1 . . 5.500 5.378 4.229 5.602 0.102 4 0 "[ . 1 . 2]" 1
1826 1 92 GLN QG 1 95 VAL MG2 . . 4.640 4.356 3.854 4.586 . 0 0 "[ . 1 . 2]" 1
1827 1 93 MET H 1 93 MET HB3 . . 3.670 3.591 3.473 3.678 0.008 11 0 "[ . 1 . 2]" 1
1828 1 93 MET H 1 93 MET ME . . 4.170 3.963 3.647 4.173 0.003 1 0 "[ . 1 . 2]" 1
1829 1 93 MET H 1 95 VAL H . . 5.460 4.243 4.039 4.479 . 0 0 "[ . 1 . 2]" 1
1830 1 93 MET HA 1 93 MET ME . . 4.770 4.489 4.368 4.617 . 0 0 "[ . 1 . 2]" 1
1831 1 93 MET HA 1 93 MET HG2 . . 3.910 2.346 2.172 2.901 . 0 0 "[ . 1 . 2]" 1
1832 1 93 MET HA 1 93 MET HG3 . . 4.150 3.015 2.231 3.290 . 0 0 "[ . 1 . 2]" 1
1833 1 93 MET HA 1 96 THR H . . 3.990 3.681 3.437 4.046 0.056 2 0 "[ . 1 . 2]" 1
1834 1 93 MET HA 1 96 THR HB . . 4.080 2.872 2.459 3.194 . 0 0 "[ . 1 . 2]" 1
1835 1 93 MET HA 1 96 THR MG . . 4.850 4.144 3.725 4.410 . 0 0 "[ . 1 . 2]" 1
1836 1 93 MET HA 1 97 GLN H . . 4.890 4.002 3.777 4.173 . 0 0 "[ . 1 . 2]" 1
1837 1 93 MET HB2 1 93 MET ME . . 3.700 2.375 2.149 2.573 . 0 0 "[ . 1 . 2]" 1
1838 1 93 MET HB2 1 94 CYS H . . 3.790 2.621 2.519 2.850 . 0 0 "[ . 1 . 2]" 1
1839 1 93 MET HB2 1 95 VAL H . . 4.920 4.994 4.947 5.007 0.087 20 0 "[ . 1 . 2]" 1
1840 1 93 MET HB3 1 94 CYS H . . 4.230 3.434 3.211 3.734 . 0 0 "[ . 1 . 2]" 1
1841 1 93 MET HB3 1 94 CYS HA . . 4.210 4.173 3.842 4.284 0.074 18 0 "[ . 1 . 2]" 1
1842 1 93 MET ME 1 94 CYS H . . 5.500 4.505 4.281 4.727 . 0 0 "[ . 1 . 2]" 1
1843 1 93 MET HG2 1 94 CYS H . . 5.500 5.014 4.885 5.257 . 0 0 "[ . 1 . 2]" 1
1844 1 94 CYS H 1 94 CYS QB . . 3.360 2.249 2.138 2.636 . 0 0 "[ . 1 . 2]" 1
1845 1 94 CYS H 1 95 VAL H . . 3.420 2.653 2.408 2.788 . 0 0 "[ . 1 . 2]" 1
1846 1 94 CYS H 1 95 VAL HB . . 4.790 4.633 4.398 4.882 0.092 6 0 "[ . 1 . 2]" 1
1847 1 94 CYS H 1 96 THR H . . 4.790 4.349 4.139 4.650 . 0 0 "[ . 1 . 2]" 1
1848 1 94 CYS H 1 97 GLN H . . 5.500 4.661 4.465 4.799 . 0 0 "[ . 1 . 2]" 1
1849 1 94 CYS HA 1 96 THR H . . 5.240 4.558 4.237 4.844 . 0 0 "[ . 1 . 2]" 1
1850 1 94 CYS HA 1 97 GLN H . . 4.220 3.248 2.832 3.600 . 0 0 "[ . 1 . 2]" 1
1851 1 94 CYS HA 1 97 GLN HB2 . . 4.470 3.097 2.558 3.883 . 0 0 "[ . 1 . 2]" 1
1852 1 94 CYS QB 1 95 VAL H . . 3.960 2.688 2.369 3.411 . 0 0 "[ . 1 . 2]" 1
1853 1 94 CYS QB 1 95 VAL HA . . 4.270 4.150 3.862 4.224 . 0 0 "[ . 1 . 2]" 1
1854 1 94 CYS QB 1 96 THR H . . 5.500 4.932 4.680 5.097 . 0 0 "[ . 1 . 2]" 1
1855 1 95 VAL H 1 95 VAL HB . . 3.170 2.316 2.207 2.510 . 0 0 "[ . 1 . 2]" 1
1856 1 95 VAL H 1 95 VAL MG1 . . 3.730 3.743 3.669 3.806 0.076 6 0 "[ . 1 . 2]" 1
1857 1 95 VAL H 1 95 VAL MG2 . . 4.350 2.398 2.307 2.529 . 0 0 "[ . 1 . 2]" 1
1858 1 95 VAL H 1 96 THR H . . 3.300 2.773 2.624 2.934 . 0 0 "[ . 1 . 2]" 1
1859 1 95 VAL H 1 96 THR HA . . 5.500 5.358 5.266 5.517 0.017 7 0 "[ . 1 . 2]" 1
1860 1 95 VAL H 1 96 THR HB . . 5.000 4.745 4.499 4.915 . 0 0 "[ . 1 . 2]" 1
1861 1 95 VAL H 1 97 GLN H . . 5.150 4.154 3.900 4.397 . 0 0 "[ . 1 . 2]" 1
1862 1 95 VAL H 1 98 TYR H . . 5.260 4.782 4.673 4.938 . 0 0 "[ . 1 . 2]" 1
1863 1 95 VAL HA 1 95 VAL MG1 . . 3.290 2.621 2.460 2.717 . 0 0 "[ . 1 . 2]" 1
1864 1 95 VAL HA 1 95 VAL MG2 . . 3.610 2.333 2.177 2.516 . 0 0 "[ . 1 . 2]" 1
1865 1 95 VAL HA 1 97 GLN H . . 5.500 4.701 4.445 4.909 . 0 0 "[ . 1 . 2]" 1
1866 1 95 VAL HA 1 98 TYR HB2 . . 4.210 4.172 3.761 4.484 0.274 10 0 "[ . 1 . 2]" 1
1867 1 95 VAL HA 1 98 TYR HB3 . . 4.440 2.906 2.571 3.250 . 0 0 "[ . 1 . 2]" 1
1868 1 95 VAL HA 1 98 TYR QD . . 4.580 3.387 2.515 4.224 . 0 0 "[ . 1 . 2]" 1
1869 1 95 VAL HB 1 96 THR H . . 3.360 2.517 2.253 2.703 . 0 0 "[ . 1 . 2]" 1
1870 1 95 VAL HB 1 96 THR HB . . 4.680 4.729 4.484 4.765 0.085 17 0 "[ . 1 . 2]" 1
1871 1 95 VAL MG1 1 96 THR H . . 4.460 3.067 2.715 3.383 . 0 0 "[ . 1 . 2]" 1
1872 1 95 VAL MG1 1 99 GLN HE21 . . 5.500 2.323 1.928 3.108 . 0 0 "[ . 1 . 2]" 1
1873 1 95 VAL MG2 1 96 THR H . . 4.090 3.980 3.750 4.076 . 0 0 "[ . 1 . 2]" 1
1874 1 95 VAL MG2 1 99 GLN QG . . 4.890 4.645 4.075 4.809 . 0 0 "[ . 1 . 2]" 1
1875 1 96 THR H 1 96 THR HB . . 3.210 2.353 2.207 2.561 . 0 0 "[ . 1 . 2]" 1
1876 1 96 THR H 1 96 THR MG . . 4.190 3.728 3.673 3.779 . 0 0 "[ . 1 . 2]" 1
1877 1 96 THR H 1 97 GLN H . . 3.730 2.874 2.754 3.019 . 0 0 "[ . 1 . 2]" 1
1878 1 96 THR H 1 99 GLN HE21 . . 5.450 5.135 3.698 5.528 0.078 2 0 "[ . 1 . 2]" 1
1879 1 96 THR HA 1 96 THR MG . . 3.200 2.485 2.365 2.632 . 0 0 "[ . 1 . 2]" 1
1880 1 96 THR HA 1 99 GLN H . . 4.470 3.452 3.256 3.660 . 0 0 "[ . 1 . 2]" 1
1881 1 96 THR HA 1 99 GLN HB2 . . 3.830 2.488 2.177 2.723 . 0 0 "[ . 1 . 2]" 1
1882 1 96 THR HA 1 99 GLN HB3 . . 4.410 4.134 3.798 4.456 0.046 15 0 "[ . 1 . 2]" 1
1883 1 96 THR HA 1 99 GLN HE22 . . 5.490 4.946 3.471 5.580 0.090 1 0 "[ . 1 . 2]" 1
1884 1 96 THR HA 1 99 GLN QG . . 4.460 3.670 2.512 4.094 . 0 0 "[ . 1 . 2]" 1
1885 1 96 THR HA 1 100 LYS QD . . 5.310 4.584 3.765 5.350 0.040 9 0 "[ . 1 . 2]" 1
1886 1 96 THR HB 1 97 GLN H . . 3.590 2.691 2.485 2.929 . 0 0 "[ . 1 . 2]" 1
1887 1 96 THR MG 1 97 GLN H . . 4.580 3.316 2.931 3.582 . 0 0 "[ . 1 . 2]" 1
1888 1 96 THR MG 1 97 GLN HA . . 4.390 3.341 2.998 3.687 . 0 0 "[ . 1 . 2]" 1
1889 1 96 THR MG 1 99 GLN HB2 . . 5.500 3.899 3.496 4.224 . 0 0 "[ . 1 . 2]" 1
1890 1 96 THR MG 1 100 LYS HA . . 4.770 4.858 4.824 4.880 0.110 16 0 "[ . 1 . 2]" 1
1891 1 96 THR MG 1 100 LYS QD . . 4.010 2.174 1.922 3.073 . 0 0 "[ . 1 . 2]" 1
1892 1 96 THR MG 1 100 LYS QE . . 3.620 3.463 1.911 3.752 0.132 1 0 "[ . 1 . 2]" 1
1893 1 96 THR MG 1 100 LYS HG2 . . 4.140 3.701 3.258 4.097 . 0 0 "[ . 1 . 2]" 1
1894 1 97 GLN H 1 97 GLN HB2 . . 3.570 2.265 2.121 2.425 . 0 0 "[ . 1 . 2]" 1
1895 1 97 GLN H 1 98 TYR H . . 4.090 2.825 2.664 2.956 . 0 0 "[ . 1 . 2]" 1
1896 1 97 GLN H 1 98 TYR HA . . 5.500 5.422 5.328 5.483 . 0 0 "[ . 1 . 2]" 1
1897 1 97 GLN H 1 99 GLN H . . 5.240 4.286 4.143 4.432 . 0 0 "[ . 1 . 2]" 1
1898 1 97 GLN H 1 100 LYS QD . . 5.500 4.247 4.036 4.520 . 0 0 "[ . 1 . 2]" 1
1899 1 97 GLN HA 1 97 GLN QE . . 5.500 3.469 1.954 4.470 . 0 0 "[ . 1 . 2]" 1
1900 1 97 GLN HA 1 100 LYS HB2 . . 3.870 2.462 2.339 2.678 . 0 0 "[ . 1 . 2]" 1
1901 1 97 GLN HA 1 100 LYS HB3 . . 3.920 3.985 3.880 4.014 0.094 9 0 "[ . 1 . 2]" 1
1902 1 97 GLN HA 1 100 LYS QD . . 3.950 2.406 2.076 3.088 . 0 0 "[ . 1 . 2]" 1
1903 1 97 GLN HA 1 100 LYS QE . . 4.850 4.255 3.441 4.927 0.077 19 0 "[ . 1 . 2]" 1
1904 1 97 GLN HA 1 100 LYS HG2 . . 4.820 4.649 3.941 4.999 0.179 12 0 "[ . 1 . 2]" 1
1905 1 97 GLN HA 1 100 LYS HG3 . . 4.950 3.656 2.327 5.026 0.076 19 0 "[ . 1 . 2]" 1
1906 1 97 GLN HB2 1 98 TYR H . . 4.700 3.627 2.839 4.004 . 0 0 "[ . 1 . 2]" 1
1907 1 97 GLN HB3 1 98 TYR HA . . 5.390 4.284 3.892 4.537 . 0 0 "[ . 1 . 2]" 1
1908 1 97 GLN QE 1 100 LYS QD . . 4.540 3.454 2.307 4.093 . 0 0 "[ . 1 . 2]" 1
1909 1 97 GLN QE 1 100 LYS QE . . 5.500 4.137 1.987 5.183 . 0 0 "[ . 1 . 2]" 1
1910 1 98 TYR H 1 98 TYR HB2 . . 3.720 2.651 2.321 2.986 . 0 0 "[ . 1 . 2]" 1
1911 1 98 TYR H 1 98 TYR HB3 . . 3.720 2.258 2.073 2.441 . 0 0 "[ . 1 . 2]" 1
1912 1 98 TYR H 1 98 TYR QD . . 4.820 4.095 3.870 4.239 . 0 0 "[ . 1 . 2]" 1
1913 1 98 TYR H 1 99 GLN H . . 3.990 2.805 2.679 3.067 . 0 0 "[ . 1 . 2]" 1
1914 1 98 TYR H 1 100 LYS QD . . 5.500 5.505 5.260 5.594 0.094 12 0 "[ . 1 . 2]" 1
1915 1 98 TYR HA 1 98 TYR QD . . 4.270 2.529 2.202 2.982 . 0 0 "[ . 1 . 2]" 1
1916 1 98 TYR HA 1 98 TYR QE . . 4.940 4.706 4.320 5.023 0.083 18 0 "[ . 1 . 2]" 1
1917 1 98 TYR HA 1 101 GLU H . . 5.050 3.620 3.446 3.862 . 0 0 "[ . 1 . 2]" 1
1918 1 98 TYR HA 1 101 GLU HB2 . . 4.780 3.114 2.632 3.593 . 0 0 "[ . 1 . 2]" 1
1919 1 98 TYR HA 1 101 GLU HB3 . . 5.180 4.702 4.190 5.178 . 0 0 "[ . 1 . 2]" 1
1920 1 98 TYR HB2 1 99 GLN H . . 3.830 3.886 3.652 4.041 0.211 19 0 "[ . 1 . 2]" 1
1921 1 98 TYR QD 1 99 GLN H . . 4.510 3.377 2.600 3.732 . 0 0 "[ . 1 . 2]" 1
1922 1 98 TYR QD 1 99 GLN HA . . 4.800 3.999 3.405 4.389 . 0 0 "[ . 1 . 2]" 1
1923 1 98 TYR QD 1 99 GLN HE21 . . 5.500 4.800 3.583 5.592 0.092 15 0 "[ . 1 . 2]" 1
1924 1 98 TYR QD 1 99 GLN QG . . 4.170 2.887 2.168 3.275 . 0 0 "[ . 1 . 2]" 1
1925 1 98 TYR QE 1 99 GLN QG . . 4.900 3.754 2.366 4.797 . 0 0 "[ . 1 . 2]" 1
1926 1 98 TYR QE 1 102 SER QB . . 4.730 3.214 2.332 4.624 . 0 0 "[ . 1 . 2]" 1
1927 1 99 GLN H 1 99 GLN HB2 . . 3.510 2.449 2.315 2.633 . 0 0 "[ . 1 . 2]" 1
1928 1 99 GLN H 1 99 GLN HB3 . . 3.860 3.598 3.521 3.670 . 0 0 "[ . 1 . 2]" 1
1929 1 99 GLN H 1 99 GLN HE21 . . 5.450 4.424 3.364 4.964 . 0 0 "[ . 1 . 2]" 1
1930 1 99 GLN H 1 99 GLN QG . . 3.610 2.425 2.107 2.685 . 0 0 "[ . 1 . 2]" 1
1931 1 99 GLN H 1 100 LYS H . . 4.400 2.802 2.720 2.875 . 0 0 "[ . 1 . 2]" 1
1932 1 99 GLN H 1 102 SER H . . 4.690 4.713 4.623 4.762 0.072 10 0 "[ . 1 . 2]" 1
1933 1 99 GLN HA 1 99 GLN QG . . 3.680 2.265 2.127 2.583 . 0 0 "[ . 1 . 2]" 1
1934 1 99 GLN HA 1 102 SER H . . 5.500 3.344 3.032 3.711 . 0 0 "[ . 1 . 2]" 1
1935 1 99 GLN HA 1 102 SER QB . . 4.730 3.021 2.060 4.106 . 0 0 "[ . 1 . 2]" 1
1936 1 99 GLN HA 1 103 GLN H . . 4.900 3.672 3.156 4.142 . 0 0 "[ . 1 . 2]" 1
1937 1 99 GLN HB2 1 99 GLN HE22 . . 5.500 4.315 3.655 4.837 . 0 0 "[ . 1 . 2]" 1
1938 1 99 GLN HB2 1 100 LYS H . . 5.320 2.934 2.429 3.314 . 0 0 "[ . 1 . 2]" 1
1939 1 99 GLN HB3 1 99 GLN HE22 . . 5.500 4.316 3.786 4.768 . 0 0 "[ . 1 . 2]" 1
1940 1 100 LYS H 1 101 GLU H . . 4.060 2.807 2.588 3.022 . 0 0 "[ . 1 . 2]" 1
1941 1 100 LYS HA 1 100 LYS QD . . 4.180 4.000 2.363 4.221 0.041 15 0 "[ . 1 . 2]" 1
1942 1 100 LYS HA 1 100 LYS QE . . 4.130 4.079 3.617 4.228 0.098 8 0 "[ . 1 . 2]" 1
1943 1 100 LYS HA 1 100 LYS HG3 . . 3.480 2.729 2.251 3.250 . 0 0 "[ . 1 . 2]" 1
1944 1 100 LYS HB2 1 100 LYS QD . . 3.700 2.400 2.257 2.478 . 0 0 "[ . 1 . 2]" 1
1945 1 100 LYS HB2 1 101 GLU H . . 3.880 2.681 2.393 3.433 . 0 0 "[ . 1 . 2]" 1
1946 1 100 LYS HB3 1 100 LYS QD . . 3.140 2.832 2.335 3.347 0.207 19 0 "[ . 1 . 2]" 1
1947 1 100 LYS HB3 1 100 LYS QE . . 4.270 2.780 2.004 4.567 0.297 19 0 "[ . 1 . 2]" 1
1948 1 100 LYS QE 1 100 LYS HG2 . . 3.740 2.294 2.030 2.835 . 0 0 "[ . 1 . 2]" 1
1949 1 101 GLU H 1 101 GLU HB2 . . 3.700 2.394 2.057 2.793 . 0 0 "[ . 1 . 2]" 1
1950 1 101 GLU H 1 101 GLU HG3 . . 3.930 3.364 2.267 4.529 0.599 8 1 "[ . + 1 . 2]" 1
1951 1 101 GLU H 1 102 SER HA . . 5.500 5.277 4.731 5.502 0.002 14 0 "[ . 1 . 2]" 1
1952 1 101 GLU H 1 103 GLN H . . 4.980 4.137 3.523 4.442 . 0 0 "[ . 1 . 2]" 1
1953 1 101 GLU HA 1 101 GLU HG3 . . 4.030 3.427 2.195 3.908 . 0 0 "[ . 1 . 2]" 1
1954 1 101 GLU HA 1 104 ALA MB . . 3.500 2.758 2.222 3.561 0.061 5 0 "[ . 1 . 2]" 1
1955 1 101 GLU HB2 1 102 SER H . . 5.050 2.678 2.386 3.158 . 0 0 "[ . 1 . 2]" 1
1956 1 101 GLU HB2 1 103 GLN H . . 5.160 5.130 4.882 5.456 0.296 6 0 "[ . 1 . 2]" 1
1957 1 101 GLU HB3 1 101 GLU HG3 . . 2.580 2.676 2.343 3.059 0.479 1 0 "[ . 1 . 2]" 1
1958 1 101 GLU HB3 1 102 SER H . . 5.380 3.512 2.872 3.987 . 0 0 "[ . 1 . 2]" 1
1959 1 102 SER H 1 103 GLN H . . 3.820 2.787 2.663 2.954 . 0 0 "[ . 1 . 2]" 1
1960 1 102 SER H 1 105 TYR HB3 . . 5.500 5.484 5.007 5.706 0.206 7 0 "[ . 1 . 2]" 1
1961 1 102 SER HA 1 105 TYR H . . 3.940 3.373 2.974 3.787 . 0 0 "[ . 1 . 2]" 1
1962 1 102 SER HA 1 105 TYR HB2 . . 4.190 3.320 2.520 3.939 . 0 0 "[ . 1 . 2]" 1
1963 1 102 SER HA 1 105 TYR HB3 . . 3.890 2.839 2.482 3.210 . 0 0 "[ . 1 . 2]" 1
1964 1 102 SER HA 1 106 TYR H . . 4.570 4.004 3.784 4.244 . 0 0 "[ . 1 . 2]" 1
1965 1 102 SER HA 1 106 TYR QD . . 4.140 4.015 3.663 4.236 0.096 20 0 "[ . 1 . 2]" 1
1966 1 102 SER HA 1 106 TYR QE . . 4.310 4.371 4.160 4.413 0.103 9 0 "[ . 1 . 2]" 1
1967 1 102 SER QB 1 103 GLN H . . 4.310 3.193 2.300 3.767 . 0 0 "[ . 1 . 2]" 1
1968 1 102 SER QB 1 106 TYR QD . . 4.640 3.031 2.608 3.837 . 0 0 "[ . 1 . 2]" 1
1969 1 102 SER QB 1 106 TYR QE . . 4.700 2.624 2.172 3.803 . 0 0 "[ . 1 . 2]" 1
1970 1 103 GLN H 1 103 GLN QB . . 3.010 2.271 2.194 2.352 . 0 0 "[ . 1 . 2]" 1
1971 1 103 GLN H 1 103 GLN HG3 . . 4.310 4.360 4.012 4.392 0.082 9 0 "[ . 1 . 2]" 1
1972 1 103 GLN HA 1 103 GLN HE21 . . 5.060 4.315 3.272 5.145 0.085 20 0 "[ . 1 . 2]" 1
1973 1 103 GLN HA 1 103 GLN HG2 . . 3.540 3.380 3.090 3.618 0.078 2 0 "[ . 1 . 2]" 1
1974 1 103 GLN HA 1 103 GLN HG3 . . 3.490 2.370 2.217 3.079 . 0 0 "[ . 1 . 2]" 1
1975 1 103 GLN HA 1 105 TYR H . . 4.380 4.239 3.440 4.450 0.070 18 0 "[ . 1 . 2]" 1
1976 1 103 GLN HA 1 106 TYR H . . 4.150 3.199 2.912 3.485 . 0 0 "[ . 1 . 2]" 1
1977 1 103 GLN HA 1 106 TYR HB2 . . 4.270 2.314 2.107 2.626 . 0 0 "[ . 1 . 2]" 1
1978 1 103 GLN HA 1 106 TYR HB3 . . 4.150 3.925 3.646 4.209 0.059 18 0 "[ . 1 . 2]" 1
1979 1 103 GLN HA 1 106 TYR QD . . 3.980 2.679 1.882 3.094 . 0 0 "[ . 1 . 2]" 1
1980 1 103 GLN HA 1 107 ASP H . . 4.850 3.702 3.304 4.017 . 0 0 "[ . 1 . 2]" 1
1981 1 103 GLN QB 1 103 GLN HE22 . . 4.880 4.121 3.553 4.331 . 0 0 "[ . 1 . 2]" 1
1982 1 103 GLN QB 1 104 ALA MB . . 5.500 4.131 3.824 4.904 . 0 0 "[ . 1 . 2]" 1
1983 1 103 GLN QB 1 107 ASP H . . 5.330 5.021 4.736 5.214 . 0 0 "[ . 1 . 2]" 1
1984 1 103 GLN HE21 1 107 ASP HA . . 5.500 5.265 4.157 5.585 0.085 1 0 "[ . 1 . 2]" 1
1985 1 103 GLN HG2 1 104 ALA H . . 4.110 3.864 2.750 4.183 0.073 2 0 "[ . 1 . 2]" 1
1986 1 103 GLN HG2 1 104 ALA HA . . 4.530 3.990 3.337 4.608 0.078 2 0 "[ . 1 . 2]" 1
1987 1 103 GLN HG2 1 104 ALA MB . . 5.500 4.642 3.632 5.080 . 0 0 "[ . 1 . 2]" 1
1988 1 103 GLN HG3 1 104 ALA HA . . 5.080 4.642 3.484 5.144 0.064 3 0 "[ . 1 . 2]" 1
1989 1 103 GLN HG3 1 106 TYR QD . . 4.800 4.749 4.361 4.919 0.119 20 0 "[ . 1 . 2]" 1
1990 1 104 ALA H 1 104 ALA MB . . 3.110 2.233 2.170 2.283 . 0 0 "[ . 1 . 2]" 1
1991 1 104 ALA H 1 105 TYR H . . 3.260 2.747 2.589 2.895 . 0 0 "[ . 1 . 2]" 1
1992 1 104 ALA H 1 105 TYR HB2 . . 5.130 4.914 4.587 5.194 0.064 2 0 "[ . 1 . 2]" 1
1993 1 104 ALA H 1 105 TYR HB3 . . 5.350 5.044 4.729 5.318 . 0 0 "[ . 1 . 2]" 1
1994 1 104 ALA H 1 106 TYR H . . 5.400 4.321 4.093 4.571 . 0 0 "[ . 1 . 2]" 1
1995 1 104 ALA H 1 107 ASP H . . 5.460 4.755 4.576 4.935 . 0 0 "[ . 1 . 2]" 1
1996 1 104 ALA HA 1 107 ASP QB . . 3.400 2.884 2.200 3.479 0.079 14 0 "[ . 1 . 2]" 1
1997 1 104 ALA MB 1 105 TYR H . . 3.500 2.629 2.322 3.409 . 0 0 "[ . 1 . 2]" 1
1998 1 104 ALA MB 1 105 TYR QD . . 5.500 5.024 4.562 5.477 . 0 0 "[ . 1 . 2]" 1
1999 1 104 ALA MB 1 106 TYR H . . 5.300 4.745 4.490 5.029 . 0 0 "[ . 1 . 2]" 1
2000 1 104 ALA MB 1 107 ASP H . . 5.500 4.783 4.428 5.139 . 0 0 "[ . 1 . 2]" 1
2001 1 104 ALA MB 1 107 ASP QB . . 4.650 4.262 3.605 4.751 0.101 19 0 "[ . 1 . 2]" 1
2002 1 104 ALA MB 1 108 GLY H . . 5.500 5.150 4.464 5.601 0.101 13 0 "[ . 1 . 2]" 1
2003 1 105 TYR H 1 105 TYR HB2 . . 3.020 2.384 2.162 2.722 . 0 0 "[ . 1 . 2]" 1
2004 1 105 TYR H 1 105 TYR HB3 . . 3.030 2.609 2.400 2.856 . 0 0 "[ . 1 . 2]" 1
2005 1 105 TYR H 1 105 TYR QD . . 4.360 4.158 3.926 4.329 . 0 0 "[ . 1 . 2]" 1
2006 1 105 TYR H 1 106 TYR H . . 3.400 2.695 1.988 2.895 . 0 0 "[ . 1 . 2]" 1
2007 1 105 TYR HA 1 105 TYR QD . . 3.650 2.892 2.172 3.290 . 0 0 "[ . 1 . 2]" 1
2008 1 105 TYR HA 1 108 GLY H . . 4.250 3.752 3.156 4.326 0.076 6 0 "[ . 1 . 2]" 1
2009 1 105 TYR HB3 1 106 TYR H . . 3.460 2.540 2.306 3.161 . 0 0 "[ . 1 . 2]" 1
2010 1 105 TYR QD 1 106 TYR H . . 4.360 3.707 3.104 4.294 . 0 0 "[ . 1 . 2]" 1
2011 1 105 TYR QD 1 108 GLY H . . 5.500 5.289 4.668 5.596 0.096 10 0 "[ . 1 . 2]" 1
2012 1 106 TYR H 1 106 TYR HB2 . . 3.480 2.321 2.193 2.475 . 0 0 "[ . 1 . 2]" 1
2013 1 106 TYR H 1 106 TYR HB3 . . 3.460 3.530 3.479 3.549 0.089 17 0 "[ . 1 . 2]" 1
2014 1 106 TYR H 1 106 TYR QD . . 4.200 3.068 2.703 3.389 . 0 0 "[ . 1 . 2]" 1
2015 1 106 TYR H 1 106 TYR QE . . 5.500 4.788 4.466 5.070 . 0 0 "[ . 1 . 2]" 1
2016 1 106 TYR H 1 107 ASP H . . 3.480 2.737 2.416 2.856 . 0 0 "[ . 1 . 2]" 1
2017 1 106 TYR H 1 108 GLY H . . 4.970 4.172 3.725 4.705 . 0 0 "[ . 1 . 2]" 1
2018 1 106 TYR HA 1 106 TYR QD . . 3.130 2.465 2.118 2.884 . 0 0 "[ . 1 . 2]" 1
2019 1 106 TYR HA 1 106 TYR QE . . 4.690 4.440 4.272 4.599 . 0 0 "[ . 1 . 2]" 1
2020 1 106 TYR HA 1 107 ASP H . . 3.570 3.556 3.475 3.603 0.033 11 0 "[ . 1 . 2]" 1
2021 1 106 TYR HB2 1 107 ASP H . . 3.850 2.890 2.573 3.101 . 0 0 "[ . 1 . 2]" 1
2022 1 106 TYR HB2 1 107 ASP HA . . 4.770 4.591 4.123 4.836 0.066 11 0 "[ . 1 . 2]" 1
2023 1 106 TYR HB2 1 108 GLY H . . 5.330 5.050 4.694 5.327 . 0 0 "[ . 1 . 2]" 1
2024 1 106 TYR HB3 1 107 ASP H . . 3.790 3.588 3.047 3.918 0.128 20 0 "[ . 1 . 2]" 1
2025 1 106 TYR HB3 1 108 GLY H . . 5.280 5.289 4.985 5.416 0.136 17 0 "[ . 1 . 2]" 1
2026 1 106 TYR QD 1 107 ASP H . . 4.760 4.623 4.414 4.801 0.041 15 0 "[ . 1 . 2]" 1
2027 1 107 ASP H 1 107 ASP QB . . 2.960 2.242 2.026 2.464 . 0 0 "[ . 1 . 2]" 1
2028 1 107 ASP H 1 108 GLY H . . 3.240 2.558 2.206 2.837 . 0 0 "[ . 1 . 2]" 1
2029 1 107 ASP H 1 108 GLY QA . . 5.150 4.392 4.046 4.635 . 0 0 "[ . 1 . 2]" 1
2030 1 107 ASP HA 1 107 ASP QB . . 2.760 2.470 2.170 2.562 . 0 0 "[ . 1 . 2]" 1
2031 1 107 ASP HA 1 109 ARG H . . 4.740 3.800 3.155 4.813 0.073 18 0 "[ . 1 . 2]" 1
2032 1 107 ASP HA 1 109 ARG QG . . 5.500 4.223 3.436 5.298 . 0 0 "[ . 1 . 2]" 1
2033 1 107 ASP HA 1 110 ARG HB2 . . 4.730 3.845 2.335 4.791 0.061 6 0 "[ . 1 . 2]" 1
2034 1 107 ASP HA 1 110 ARG HG2 . . 4.930 4.407 3.432 4.995 0.065 18 0 "[ . 1 . 2]" 1
2035 1 107 ASP HA 1 110 ARG HG3 . . 4.600 3.567 2.262 5.003 0.403 9 0 "[ . 1 . 2]" 1
2036 1 107 ASP QB 1 108 GLY H . . 3.510 2.897 2.333 3.520 0.010 19 0 "[ . 1 . 2]" 1
2037 1 107 ASP QB 1 108 GLY QA . . 4.880 3.797 3.425 4.557 . 0 0 "[ . 1 . 2]" 1
2038 1 107 ASP QB 1 109 ARG H . . 4.770 4.131 2.635 4.830 0.060 10 0 "[ . 1 . 2]" 1
2039 1 107 ASP QB 1 109 ARG QG . . 5.040 4.996 3.812 5.170 0.130 20 0 "[ . 1 . 2]" 1
2040 1 108 GLY H 1 108 GLY QA . . 2.620 2.190 2.151 2.273 . 0 0 "[ . 1 . 2]" 1
2041 1 108 GLY H 1 109 ARG QG . . 5.490 4.214 3.024 5.578 0.088 17 0 "[ . 1 . 2]" 1
2042 1 108 GLY QA 1 109 ARG H . . 3.440 2.737 2.209 2.962 . 0 0 "[ . 1 . 2]" 1
2043 1 108 GLY QA 1 109 ARG HA . . 4.860 4.083 3.977 4.208 . 0 0 "[ . 1 . 2]" 1
2044 1 108 GLY QA 1 109 ARG QG . . 5.250 4.006 3.280 4.544 . 0 0 "[ . 1 . 2]" 1
2045 1 108 GLY QA 1 110 ARG H . . 4.300 3.734 3.197 4.392 0.092 9 0 "[ . 1 . 2]" 1
2046 1 109 ARG H 1 109 ARG HB3 . . 3.680 3.368 2.669 3.727 0.047 19 0 "[ . 1 . 2]" 1
2047 1 109 ARG H 1 109 ARG QD . . 5.070 3.884 2.350 4.655 . 0 0 "[ . 1 . 2]" 1
2048 1 109 ARG H 1 109 ARG HE . . 5.390 4.338 3.205 4.817 . 0 0 "[ . 1 . 2]" 1
2049 1 109 ARG H 1 109 ARG QG . . 3.630 2.364 1.770 2.838 . 0 0 "[ . 1 . 2]" 1
2050 1 109 ARG H 1 110 ARG H . . 3.500 2.173 1.765 2.965 . 0 0 "[ . 1 . 2]" 1
2051 1 109 ARG H 1 111 SER H . . 5.200 4.964 4.515 5.277 0.077 11 0 "[ . 1 . 2]" 1
2052 1 109 ARG HA 1 109 ARG HB2 . . 3.030 2.484 2.407 2.591 . 0 0 "[ . 1 . 2]" 1
2053 1 109 ARG HA 1 109 ARG HB3 . . 2.910 2.401 2.247 2.521 . 0 0 "[ . 1 . 2]" 1
2054 1 109 ARG HA 1 109 ARG QG . . 3.330 3.404 3.341 3.437 0.107 18 0 "[ . 1 . 2]" 1
2055 1 109 ARG HA 1 110 ARG H . . 2.960 3.004 2.787 3.046 0.086 7 0 "[ . 1 . 2]" 1
2056 1 109 ARG HA 1 111 SER H . . 4.590 3.851 3.413 4.235 . 0 0 "[ . 1 . 2]" 1
2057 1 109 ARG HB2 1 109 ARG QD . . 3.780 2.475 2.048 3.189 . 0 0 "[ . 1 . 2]" 1
2058 1 109 ARG HB2 1 109 ARG HE . . 4.080 3.486 2.532 4.174 0.094 7 0 "[ . 1 . 2]" 1
2059 1 109 ARG HB2 1 109 ARG QG . . 2.710 2.498 2.364 2.586 . 0 0 "[ . 1 . 2]" 1
2060 1 109 ARG HB3 1 109 ARG QD . . 3.660 3.199 2.665 3.640 . 0 0 "[ . 1 . 2]" 1
2061 1 109 ARG HB3 1 109 ARG HE . . 4.560 4.412 3.982 4.639 0.079 9 0 "[ . 1 . 2]" 1
2062 1 109 ARG QD 1 110 ARG H . . 5.500 4.642 3.186 5.590 0.090 6 0 "[ . 1 . 2]" 1
2063 1 109 ARG QD 1 110 ARG HA . . 5.360 4.441 3.257 5.440 0.080 9 0 "[ . 1 . 2]" 1
2064 1 109 ARG QD 1 110 ARG HG2 . . 5.440 3.756 2.158 5.953 0.513 9 1 "[ . +1 . 2]" 1
2065 1 109 ARG HE 1 110 ARG QD . . 4.140 3.866 2.782 4.234 0.094 2 0 "[ . 1 . 2]" 1
2066 1 109 ARG HE 1 110 ARG HG2 . . 3.690 2.858 2.511 4.196 0.506 9 1 "[ . +1 . 2]" 1
2067 1 109 ARG HE 1 110 ARG HG3 . . 4.290 4.134 2.883 4.371 0.081 8 0 "[ . 1 . 2]" 1
2068 1 110 ARG H 1 110 ARG HB2 . . 3.180 2.381 2.234 2.548 . 0 0 "[ . 1 . 2]" 1
2069 1 110 ARG H 1 110 ARG HB3 . . 3.520 3.541 3.285 3.609 0.089 9 0 "[ . 1 . 2]" 1
2070 1 110 ARG H 1 110 ARG QD . . 5.260 4.579 2.965 4.931 . 0 0 "[ . 1 . 2]" 1
2071 1 110 ARG H 1 110 ARG HG2 . . 3.790 3.594 3.210 4.596 0.806 9 1 "[ . +1 . 2]" 1
2072 1 110 ARG H 1 111 SER H . . 3.400 3.139 2.622 3.480 0.080 2 0 "[ . 1 . 2]" 1
2073 1 110 ARG H 1 111 SER HA . . 4.810 4.741 4.358 4.877 0.067 5 0 "[ . 1 . 2]" 1
2074 1 110 ARG HA 1 110 ARG HB2 . . 3.040 2.996 2.914 3.039 . 0 0 "[ . 1 . 2]" 1
2075 1 110 ARG HA 1 110 ARG HB3 . . 2.900 2.682 2.538 2.921 0.021 17 0 "[ . 1 . 2]" 1
2076 1 110 ARG HA 1 110 ARG QD . . 3.410 2.746 2.304 3.489 0.079 9 0 "[ . 1 . 2]" 1
2077 1 110 ARG HA 1 110 ARG HG2 . . 3.920 2.416 2.129 3.351 . 0 0 "[ . 1 . 2]" 1
2078 1 110 ARG HA 1 110 ARG HG3 . . 3.920 3.518 2.187 3.688 . 0 0 "[ . 1 . 2]" 1
2079 1 110 ARG HA 1 111 SER H . . 2.780 2.595 2.205 2.869 0.089 17 0 "[ . 1 . 2]" 1
2080 1 110 ARG HA 1 112 SER H . . 5.200 3.427 2.997 3.814 . 0 0 "[ . 1 . 2]" 1
2081 1 110 ARG HB2 1 110 ARG QD . . 3.270 3.242 2.107 3.379 0.109 12 0 "[ . 1 . 2]" 1
2082 1 110 ARG HB2 1 110 ARG HG2 . . 2.750 2.691 2.450 2.834 0.084 10 0 "[ . 1 . 2]" 1
2083 1 110 ARG HB2 1 110 ARG HG3 . . 2.820 2.315 2.210 2.847 0.027 9 0 "[ . 1 . 2]" 1
2084 1 110 ARG HB2 1 111 SER H . . 4.620 4.440 4.222 4.600 . 0 0 "[ . 1 . 2]" 1
2085 1 110 ARG HB2 1 112 SER H . . 5.350 4.912 4.299 5.415 0.065 17 0 "[ . 1 . 2]" 1
2086 1 110 ARG HB3 1 110 ARG QD . . 3.100 2.261 2.085 3.098 . 0 0 "[ . 1 . 2]" 1
2087 1 110 ARG HB3 1 111 SER H . . 4.440 4.350 4.078 4.501 0.061 5 0 "[ . 1 . 2]" 1
2088 1 110 ARG HB3 1 111 SER HA . . 4.810 4.838 4.550 4.900 0.090 11 0 "[ . 1 . 2]" 1
2089 1 110 ARG HB3 1 112 SER H . . 4.290 3.726 3.047 4.305 0.015 12 0 "[ . 1 . 2]" 1
2090 1 110 ARG QD 1 111 SER H . . 5.170 4.876 4.538 5.264 0.094 7 0 "[ . 1 . 2]" 1
2091 1 110 ARG HG2 1 111 SER H . . 5.230 4.793 4.280 5.890 0.660 9 1 "[ . +1 . 2]" 1
2092 1 110 ARG HG2 1 112 SER H . . 5.500 5.465 4.951 5.628 0.128 9 0 "[ . 1 . 2]" 1
2093 1 111 SER H 1 111 SER HB2 . . 3.430 2.871 2.303 3.628 0.198 16 0 "[ . 1 . 2]" 1
2094 1 111 SER H 1 112 SER H . . 3.420 3.330 2.887 3.500 0.080 14 0 "[ . 1 . 2]" 1
2095 1 111 SER HA 1 111 SER HB3 . . 2.780 2.500 2.216 3.036 0.256 18 0 "[ . 1 . 2]" 1
2096 1 111 SER HA 1 112 SER H . . 3.090 2.665 2.290 3.145 0.055 6 0 "[ . 1 . 2]" 1
2097 1 112 SER H 1 112 SER QB . . 3.530 3.029 2.335 3.553 0.023 7 0 "[ . 1 . 2]" 1
2098 1 112 SER HA 1 112 SER QB . . 2.730 2.358 2.226 2.484 . 0 0 "[ . 1 . 2]" 1
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