NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
484799 |
2js2   |
15351 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2js2
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 793
_Distance_constraint_stats_list.Viol_count 1681
_Distance_constraint_stats_list.Viol_total 2137.729
_Distance_constraint_stats_list.Viol_max 0.298
_Distance_constraint_stats_list.Viol_rms 0.0256
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0067
_Distance_constraint_stats_list.Viol_average_violations_only 0.0636
_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 5 GLU 0.141 0.072 10 0 "[ . 1 . 2]"
1 6 GLU 0.141 0.072 10 0 "[ . 1 . 2]"
1 7 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 VAL 5.830 0.226 12 0 "[ . 1 . 2]"
1 9 VAL 9.972 0.226 12 0 "[ . 1 . 2]"
1 10 VAL 4.775 0.161 20 0 "[ . 1 . 2]"
1 11 ALA 1.423 0.084 4 0 "[ . 1 . 2]"
1 12 LYS 1.392 0.127 13 0 "[ . 1 . 2]"
1 13 PHE 3.119 0.136 10 0 "[ . 1 . 2]"
1 14 ASP 6.491 0.248 17 0 "[ . 1 . 2]"
1 15 TYR 4.636 0.183 4 0 "[ . 1 . 2]"
1 16 VAL 0.896 0.147 6 0 "[ . 1 . 2]"
1 17 ALA 6.253 0.250 19 0 "[ . 1 . 2]"
1 18 GLN 7.505 0.265 7 0 "[ . 1 . 2]"
1 19 GLN 1.057 0.165 4 0 "[ . 1 . 2]"
1 20 GLU 1.587 0.298 14 0 "[ . 1 . 2]"
1 21 GLN 1.333 0.178 14 0 "[ . 1 . 2]"
1 22 GLU 2.255 0.178 14 0 "[ . 1 . 2]"
1 23 LEU 5.719 0.163 7 0 "[ . 1 . 2]"
1 24 ASP 1.609 0.270 15 0 "[ . 1 . 2]"
1 25 ILE 14.792 0.242 7 0 "[ . 1 . 2]"
1 26 LYS 1.857 0.205 11 0 "[ . 1 . 2]"
1 27 LYS 4.607 0.205 11 0 "[ . 1 . 2]"
1 28 ASN 2.758 0.155 16 0 "[ . 1 . 2]"
1 29 GLU 3.461 0.148 11 0 "[ . 1 . 2]"
1 30 ARG 6.223 0.214 5 0 "[ . 1 . 2]"
1 31 LEU 15.119 0.214 5 0 "[ . 1 . 2]"
1 32 TRP 3.980 0.138 15 0 "[ . 1 . 2]"
1 33 LEU 6.019 0.187 4 0 "[ . 1 . 2]"
1 34 LEU 2.262 0.098 10 0 "[ . 1 . 2]"
1 35 ASP 0.111 0.066 14 0 "[ . 1 . 2]"
1 36 ASP 1.997 0.172 13 0 "[ . 1 . 2]"
1 37 SER 1.204 0.172 13 0 "[ . 1 . 2]"
1 38 LYS 0.482 0.114 19 0 "[ . 1 . 2]"
1 39 SER 0.803 0.114 19 0 "[ . 1 . 2]"
1 40 TRP 0.899 0.128 5 0 "[ . 1 . 2]"
1 41 TRP 0.844 0.078 9 0 "[ . 1 . 2]"
1 42 ARG 2.277 0.129 13 0 "[ . 1 . 2]"
1 43 VAL 6.787 0.187 4 0 "[ . 1 . 2]"
1 44 ARG 3.648 0.224 18 0 "[ . 1 . 2]"
1 45 ASN 4.249 0.181 9 0 "[ . 1 . 2]"
1 46 SER 0.953 0.164 10 0 "[ . 1 . 2]"
1 47 MET 2.558 0.161 16 0 "[ . 1 . 2]"
1 48 ASN 2.796 0.204 3 0 "[ . 1 . 2]"
1 49 LYS 1.772 0.204 3 0 "[ . 1 . 2]"
1 50 THR 5.625 0.180 7 0 "[ . 1 . 2]"
1 51 GLY 2.516 0.180 7 0 "[ . 1 . 2]"
1 52 PHE 2.037 0.143 2 0 "[ . 1 . 2]"
1 53 VAL 3.216 0.143 2 0 "[ . 1 . 2]"
1 54 PRO 2.644 0.128 5 0 "[ . 1 . 2]"
1 55 SER 0.575 0.061 7 0 "[ . 1 . 2]"
1 56 ASN 0.022 0.015 9 0 "[ . 1 . 2]"
1 57 TYR 3.530 0.136 10 0 "[ . 1 . 2]"
1 58 VAL 8.163 0.242 7 0 "[ . 1 . 2]"
1 59 GLU 1.923 0.255 12 0 "[ . 1 . 2]"
1 60 ARG 2.514 0.201 15 0 "[ . 1 . 2]"
1 61 LYS 1.797 0.186 12 0 "[ . 1 . 2]"
1 62 ASN 0.680 0.178 19 0 "[ . 1 . 2]"
1 63 SER 0.680 0.178 19 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 5 GLU H 1 6 GLU H . . 5.040 3.986 2.724 4.603 . 0 0 "[ . 1 . 2]" 1
2 1 5 GLU HA 1 6 GLU H . . 2.690 2.267 2.125 2.762 0.072 10 0 "[ . 1 . 2]" 1
3 1 5 GLU QB 1 5 GLU QG . . 2.270 2.054 1.976 2.088 . 0 0 "[ . 1 . 2]" 1
4 1 5 GLU HB2 1 5 GLU QG . . 2.760 2.315 2.150 2.476 . 0 0 "[ . 1 . 2]" 1
5 1 5 GLU HB3 1 5 GLU QG . . 2.760 2.313 2.135 2.402 . 0 0 "[ . 1 . 2]" 1
6 1 6 GLU H 1 6 GLU QB . . 2.840 2.428 2.188 2.624 . 0 0 "[ . 1 . 2]" 1
7 1 6 GLU HA 1 7 VAL H . . 2.760 2.328 2.133 2.714 . 0 0 "[ . 1 . 2]" 1
8 1 6 GLU HA 1 7 VAL QG . . 5.440 3.462 3.289 4.102 . 0 0 "[ . 1 . 2]" 1
9 1 6 GLU QB 1 7 VAL H . . 3.900 2.806 1.933 3.530 . 0 0 "[ . 1 . 2]" 1
10 1 6 GLU QB 1 32 TRP HD1 . . 3.630 2.114 1.744 3.058 . 0 0 "[ . 1 . 2]" 1
11 1 6 GLU QG 1 32 TRP HD1 . . 5.000 3.620 2.136 4.451 . 0 0 "[ . 1 . 2]" 1
12 1 7 VAL H 1 7 VAL QG . . 3.160 1.932 1.788 2.190 . 0 0 "[ . 1 . 2]" 1
13 1 7 VAL HA 1 7 VAL QG . . 2.530 2.198 2.113 2.351 . 0 0 "[ . 1 . 2]" 1
14 1 7 VAL HA 1 8 VAL H . . 2.620 2.165 2.075 2.336 . 0 0 "[ . 1 . 2]" 1
15 1 7 VAL HB 1 8 VAL H . . 5.180 3.782 2.482 4.496 . 0 0 "[ . 1 . 2]" 1
16 1 7 VAL QG 1 8 VAL H . . 4.380 3.314 2.653 3.704 . 0 0 "[ . 1 . 2]" 1
17 1 8 VAL H 1 8 VAL HB . . 3.050 2.456 2.361 2.608 . 0 0 "[ . 1 . 2]" 1
18 1 8 VAL H 1 8 VAL MG1 . . 3.860 3.757 3.715 3.798 . 0 0 "[ . 1 . 2]" 1
19 1 8 VAL H 1 8 VAL MG2 . . 4.080 2.702 2.431 3.045 . 0 0 "[ . 1 . 2]" 1
20 1 8 VAL HA 1 8 VAL MG2 . . 2.850 2.257 2.222 2.293 . 0 0 "[ . 1 . 2]" 1
21 1 8 VAL HA 1 9 VAL H . . 2.610 2.110 2.070 2.163 . 0 0 "[ . 1 . 2]" 1
22 1 8 VAL HA 1 32 TRP HA . . 2.720 2.392 2.269 2.580 . 0 0 "[ . 1 . 2]" 1
23 1 8 VAL HA 1 32 TRP HD1 . . 4.760 4.246 3.890 4.757 . 0 0 "[ . 1 . 2]" 1
24 1 8 VAL HA 1 33 LEU H . . 5.280 3.153 2.964 3.367 . 0 0 "[ . 1 . 2]" 1
25 1 8 VAL HB 1 30 ARG HB2 . . 4.600 4.547 4.293 4.697 0.097 10 0 "[ . 1 . 2]" 1
26 1 8 VAL MG1 1 9 VAL H . . 3.190 2.404 2.259 2.504 . 0 0 "[ . 1 . 2]" 1
27 1 8 VAL MG1 1 9 VAL HA . . 5.500 3.517 3.379 3.625 . 0 0 "[ . 1 . 2]" 1
28 1 8 VAL MG1 1 9 VAL MG2 . . 3.440 3.519 3.466 3.548 0.108 10 0 "[ . 1 . 2]" 1
29 1 8 VAL MG1 1 10 VAL HA . . 5.500 4.154 3.978 4.299 . 0 0 "[ . 1 . 2]" 1
30 1 8 VAL MG1 1 30 ARG HA . . 5.500 3.373 3.168 3.552 . 0 0 "[ . 1 . 2]" 1
31 1 8 VAL MG1 1 30 ARG HB2 . . 3.480 2.022 1.788 2.165 . 0 0 "[ . 1 . 2]" 1
32 1 8 VAL MG1 1 30 ARG HB3 . . 3.500 3.304 3.053 3.504 0.004 20 0 "[ . 1 . 2]" 1
33 1 8 VAL MG1 1 30 ARG QD . . 4.150 3.187 1.968 3.937 . 0 0 "[ . 1 . 2]" 1
34 1 8 VAL MG1 1 30 ARG HG3 . . 3.470 2.873 2.120 3.283 . 0 0 "[ . 1 . 2]" 1
35 1 8 VAL MG1 1 31 LEU H . . 5.110 2.900 2.721 3.060 . 0 0 "[ . 1 . 2]" 1
36 1 8 VAL MG1 1 31 LEU HB2 . . 5.500 4.719 4.633 4.843 . 0 0 "[ . 1 . 2]" 1
37 1 8 VAL MG1 1 31 LEU HB3 . . 5.430 5.289 5.153 5.436 0.006 11 0 "[ . 1 . 2]" 1
38 1 8 VAL MG1 1 31 LEU MD1 . . 4.980 4.836 4.698 4.959 . 0 0 "[ . 1 . 2]" 1
39 1 8 VAL MG1 1 31 LEU MD2 . . 5.040 4.643 4.543 4.769 . 0 0 "[ . 1 . 2]" 1
40 1 8 VAL MG2 1 9 VAL MG2 . . 4.380 4.560 4.520 4.606 0.226 12 0 "[ . 1 . 2]" 1
41 1 8 VAL MG2 1 30 ARG HG3 . . 4.090 3.903 3.279 4.150 0.060 9 0 "[ . 1 . 2]" 1
42 1 8 VAL MG2 1 32 TRP HA . . 5.380 3.013 2.829 3.197 . 0 0 "[ . 1 . 2]" 1
43 1 8 VAL MG2 1 32 TRP QB . . 5.500 3.934 3.823 4.055 . 0 0 "[ . 1 . 2]" 1
44 1 8 VAL MG2 1 32 TRP HD1 . . 4.730 3.026 2.693 3.452 . 0 0 "[ . 1 . 2]" 1
45 1 8 VAL MG2 1 32 TRP HE3 . . 5.500 4.477 3.946 4.818 . 0 0 "[ . 1 . 2]" 1
46 1 9 VAL H 1 9 VAL MG1 . . 4.750 2.856 2.681 3.009 . 0 0 "[ . 1 . 2]" 1
47 1 9 VAL H 1 9 VAL MG2 . . 3.070 1.814 1.767 1.911 . 0 0 "[ . 1 . 2]" 1
48 1 9 VAL H 1 30 ARG HA . . 5.060 4.718 4.552 4.922 . 0 0 "[ . 1 . 2]" 1
49 1 9 VAL H 1 32 TRP H . . 5.010 4.688 4.623 4.789 . 0 0 "[ . 1 . 2]" 1
50 1 9 VAL H 1 32 TRP HA . . 4.480 3.150 3.039 3.276 . 0 0 "[ . 1 . 2]" 1
51 1 9 VAL HA 1 9 VAL HB . . 2.760 2.520 2.475 2.553 . 0 0 "[ . 1 . 2]" 1
52 1 9 VAL HA 1 9 VAL MG1 . . 2.860 2.278 2.221 2.336 . 0 0 "[ . 1 . 2]" 1
53 1 9 VAL HA 1 10 VAL H . . 3.010 2.653 2.583 2.761 . 0 0 "[ . 1 . 2]" 1
54 1 9 VAL HA 1 33 LEU HB3 . . 5.500 5.555 5.505 5.612 0.112 8 0 "[ . 1 . 2]" 1
55 1 9 VAL HA 1 60 ARG QG . . 5.340 5.344 5.026 5.541 0.201 15 0 "[ . 1 . 2]" 1
56 1 9 VAL HA 1 61 LYS H . . 4.460 3.532 2.356 4.599 0.139 4 0 "[ . 1 . 2]" 1
57 1 9 VAL HA 1 61 LYS QE . . 5.380 4.384 2.142 5.501 0.121 18 0 "[ . 1 . 2]" 1
58 1 9 VAL HB 1 10 VAL H . . 3.090 2.085 1.948 2.202 . 0 0 "[ . 1 . 2]" 1
59 1 9 VAL HB 1 10 VAL QG . . 4.000 3.967 3.836 4.032 0.032 17 0 "[ . 1 . 2]" 1
60 1 9 VAL MG1 1 10 VAL H . . 5.140 3.516 3.386 3.676 . 0 0 "[ . 1 . 2]" 1
61 1 9 VAL MG1 1 32 TRP HA . . 4.460 4.420 4.088 4.529 0.069 5 0 "[ . 1 . 2]" 1
62 1 9 VAL MG1 1 33 LEU H . . 5.220 3.350 3.011 3.566 . 0 0 "[ . 1 . 2]" 1
63 1 9 VAL MG1 1 33 LEU HB2 . . 3.560 2.106 1.832 2.323 . 0 0 "[ . 1 . 2]" 1
64 1 9 VAL MG1 1 33 LEU HB3 . . 5.200 2.501 2.381 2.626 . 0 0 "[ . 1 . 2]" 1
65 1 9 VAL MG1 1 33 LEU MD1 . . 4.320 3.292 2.981 3.528 . 0 0 "[ . 1 . 2]" 1
66 1 9 VAL MG1 1 33 LEU MD2 . . 3.040 1.894 1.774 2.026 . 0 0 "[ . 1 . 2]" 1
67 1 9 VAL MG1 1 60 ARG HA . . 3.230 2.043 1.778 2.836 . 0 0 "[ . 1 . 2]" 1
68 1 9 VAL MG1 1 60 ARG QB . . 4.490 2.893 1.793 3.672 . 0 0 "[ . 1 . 2]" 1
69 1 9 VAL MG1 1 60 ARG QD . . 5.500 4.129 3.222 4.686 . 0 0 "[ . 1 . 2]" 1
70 1 9 VAL MG1 1 60 ARG QG . . 5.340 2.932 2.472 3.848 . 0 0 "[ . 1 . 2]" 1
71 1 9 VAL MG1 1 61 LYS HB2 . . 5.500 4.912 3.321 5.580 0.080 17 0 "[ . 1 . 2]" 1
72 1 9 VAL MG1 1 61 LYS HB3 . . 5.500 4.611 2.824 5.552 0.052 6 0 "[ . 1 . 2]" 1
73 1 9 VAL MG1 1 61 LYS QD . . 5.500 4.361 3.004 5.329 . 0 0 "[ . 1 . 2]" 1
74 1 9 VAL MG2 1 30 ARG HB2 . . 5.500 5.029 4.854 5.199 . 0 0 "[ . 1 . 2]" 1
75 1 9 VAL MG2 1 31 LEU H . . 4.250 2.645 2.520 2.765 . 0 0 "[ . 1 . 2]" 1
76 1 9 VAL MG2 1 31 LEU HB2 . . 3.050 2.004 1.814 2.219 . 0 0 "[ . 1 . 2]" 1
77 1 9 VAL MG2 1 31 LEU HB3 . . 3.550 3.243 3.032 3.472 . 0 0 "[ . 1 . 2]" 1
78 1 9 VAL MG2 1 31 LEU MD2 . . 3.070 2.858 2.584 3.021 . 0 0 "[ . 1 . 2]" 1
79 1 9 VAL MG2 1 32 TRP HA . . 5.500 3.245 3.065 3.429 . 0 0 "[ . 1 . 2]" 1
80 1 9 VAL MG2 1 33 LEU HB2 . . 4.260 2.175 1.983 2.409 . 0 0 "[ . 1 . 2]" 1
81 1 9 VAL MG2 1 33 LEU MD1 . . 3.100 3.103 3.002 3.145 0.045 11 0 "[ . 1 . 2]" 1
82 1 9 VAL MG2 1 33 LEU MD2 . . 3.380 3.143 2.965 3.401 0.021 13 0 "[ . 1 . 2]" 1
83 1 9 VAL MG2 1 41 TRP HZ3 . . 5.500 4.703 3.865 5.513 0.013 9 0 "[ . 1 . 2]" 1
84 1 9 VAL MG2 1 43 VAL HA . . 5.500 4.803 4.641 4.973 . 0 0 "[ . 1 . 2]" 1
85 1 9 VAL MG2 1 43 VAL MG1 . . 2.790 2.446 2.225 2.669 . 0 0 "[ . 1 . 2]" 1
86 1 9 VAL MG2 1 60 ARG QG . . 5.340 4.657 4.147 5.455 0.115 15 0 "[ . 1 . 2]" 1
87 1 10 VAL H 1 10 VAL HB . . 3.270 3.248 3.166 3.306 0.036 5 0 "[ . 1 . 2]" 1
88 1 10 VAL H 1 10 VAL QG . . 3.180 2.312 2.269 2.402 . 0 0 "[ . 1 . 2]" 1
89 1 10 VAL H 1 60 ARG HA . . 5.180 3.491 2.733 4.063 . 0 0 "[ . 1 . 2]" 1
90 1 10 VAL HA 1 10 VAL HB . . 2.880 2.475 2.447 2.535 . 0 0 "[ . 1 . 2]" 1
91 1 10 VAL HA 1 10 VAL QG . . 2.400 2.304 2.256 2.326 . 0 0 "[ . 1 . 2]" 1
92 1 10 VAL HA 1 11 ALA H . . 2.600 2.266 2.176 2.371 . 0 0 "[ . 1 . 2]" 1
93 1 10 VAL HA 1 11 ALA MB . . 4.110 3.940 3.911 3.978 . 0 0 "[ . 1 . 2]" 1
94 1 10 VAL HA 1 30 ARG HA . . 2.620 2.038 1.893 2.115 . 0 0 "[ . 1 . 2]" 1
95 1 10 VAL HA 1 30 ARG HB2 . . 5.210 4.069 3.694 4.273 . 0 0 "[ . 1 . 2]" 1
96 1 10 VAL HA 1 30 ARG HG2 . . 5.500 5.608 5.525 5.661 0.161 20 0 "[ . 1 . 2]" 1
97 1 10 VAL HA 1 31 LEU H . . 4.950 2.872 2.798 2.942 . 0 0 "[ . 1 . 2]" 1
98 1 10 VAL HA 1 31 LEU HA . . 5.500 5.602 5.522 5.647 0.147 9 0 "[ . 1 . 2]" 1
99 1 10 VAL HB 1 11 ALA H . . 4.130 4.025 3.939 4.091 . 0 0 "[ . 1 . 2]" 1
100 1 10 VAL QG 1 11 ALA H . . 2.920 2.195 1.869 2.397 . 0 0 "[ . 1 . 2]" 1
101 1 10 VAL QG 1 11 ALA MB . . 3.580 3.433 3.319 3.532 . 0 0 "[ . 1 . 2]" 1
102 1 10 VAL QG 1 28 ASN HA . . 2.550 2.503 2.228 2.614 0.064 10 0 "[ . 1 . 2]" 1
103 1 10 VAL QG 1 28 ASN QB . . 5.340 3.989 3.410 4.137 . 0 0 "[ . 1 . 2]" 1
104 1 10 VAL QG 1 29 GLU H . . 5.080 3.475 3.291 3.607 . 0 0 "[ . 1 . 2]" 1
105 1 10 VAL QG 1 30 ARG HA . . 3.240 2.928 2.765 3.053 . 0 0 "[ . 1 . 2]" 1
106 1 10 VAL QG 1 30 ARG QD . . 5.500 5.157 4.526 5.529 0.029 4 0 "[ . 1 . 2]" 1
107 1 10 VAL QG 1 59 GLU QB . . 4.180 2.678 2.156 3.771 . 0 0 "[ . 1 . 2]" 1
108 1 10 VAL QG 1 59 GLU QG . . 4.960 3.707 2.053 4.903 . 0 0 "[ . 1 . 2]" 1
109 1 11 ALA H 1 11 ALA MB . . 2.650 2.266 2.216 2.361 . 0 0 "[ . 1 . 2]" 1
110 1 11 ALA H 1 25 ILE MD . . 4.610 4.489 4.377 4.599 . 0 0 "[ . 1 . 2]" 1
111 1 11 ALA H 1 26 LYS H . . 5.500 5.438 5.144 5.562 0.062 4 0 "[ . 1 . 2]" 1
112 1 11 ALA H 1 29 GLU H . . 3.060 3.098 3.060 3.144 0.084 4 0 "[ . 1 . 2]" 1
113 1 11 ALA H 1 31 LEU H . . 4.610 4.421 4.090 4.651 0.041 8 0 "[ . 1 . 2]" 1
114 1 11 ALA H 1 58 VAL HA . . 5.170 4.867 4.305 5.192 0.022 6 0 "[ . 1 . 2]" 1
115 1 11 ALA HA 1 12 LYS H . . 2.760 2.221 2.163 2.288 . 0 0 "[ . 1 . 2]" 1
116 1 11 ALA HA 1 13 PHE H . . 5.020 4.204 3.821 4.385 . 0 0 "[ . 1 . 2]" 1
117 1 11 ALA HA 1 25 ILE MD . . 5.360 3.284 3.013 3.641 . 0 0 "[ . 1 . 2]" 1
118 1 11 ALA HA 1 25 ILE MG . . 5.500 5.130 4.817 5.530 0.030 17 0 "[ . 1 . 2]" 1
119 1 11 ALA HA 1 31 LEU MD2 . . 5.500 3.392 3.156 3.752 . 0 0 "[ . 1 . 2]" 1
120 1 11 ALA HA 1 58 VAL HA . . 2.450 2.018 1.767 2.314 . 0 0 "[ . 1 . 2]" 1
121 1 11 ALA HA 1 58 VAL HB . . 4.030 3.264 2.975 3.711 . 0 0 "[ . 1 . 2]" 1
122 1 11 ALA HA 1 58 VAL MG1 . . 3.540 3.023 2.714 3.436 . 0 0 "[ . 1 . 2]" 1
123 1 11 ALA HA 1 59 GLU H . . 5.180 2.541 2.153 3.114 . 0 0 "[ . 1 . 2]" 1
124 1 11 ALA MB 1 12 LYS H . . 5.280 2.751 2.644 3.023 . 0 0 "[ . 1 . 2]" 1
125 1 11 ALA MB 1 13 PHE H . . 3.380 3.232 2.902 3.385 0.005 14 0 "[ . 1 . 2]" 1
126 1 11 ALA MB 1 25 ILE HB . . 3.180 2.565 2.311 2.724 . 0 0 "[ . 1 . 2]" 1
127 1 11 ALA MB 1 25 ILE MD . . 2.830 1.758 1.709 1.811 . 0 0 "[ . 1 . 2]" 1
128 1 11 ALA MB 1 25 ILE HG13 . . 4.110 3.941 3.756 4.085 . 0 0 "[ . 1 . 2]" 1
129 1 11 ALA MB 1 26 LYS HA . . 4.580 4.434 4.296 4.586 0.006 10 0 "[ . 1 . 2]" 1
130 1 11 ALA MB 1 27 LYS HA . . 3.500 3.116 2.900 3.460 . 0 0 "[ . 1 . 2]" 1
131 1 11 ALA MB 1 28 ASN H . . 3.390 2.937 2.701 3.292 . 0 0 "[ . 1 . 2]" 1
132 1 11 ALA MB 1 29 GLU H . . 2.690 2.184 1.963 2.551 . 0 0 "[ . 1 . 2]" 1
133 1 11 ALA MB 1 29 GLU HA . . 5.390 4.416 4.236 4.703 . 0 0 "[ . 1 . 2]" 1
134 1 11 ALA MB 1 29 GLU HB2 . . 4.190 3.844 3.528 4.120 . 0 0 "[ . 1 . 2]" 1
135 1 11 ALA MB 1 29 GLU QB . . 3.630 2.751 2.507 2.925 . 0 0 "[ . 1 . 2]" 1
136 1 11 ALA MB 1 29 GLU HB3 . . 4.190 2.819 2.547 3.006 . 0 0 "[ . 1 . 2]" 1
137 1 11 ALA MB 1 29 GLU QG . . 4.920 4.150 3.836 4.315 . 0 0 "[ . 1 . 2]" 1
138 1 11 ALA MB 1 31 LEU MD1 . . 3.960 3.803 3.567 4.003 0.043 10 0 "[ . 1 . 2]" 1
139 1 11 ALA MB 1 31 LEU MD2 . . 2.430 1.982 1.777 2.139 . 0 0 "[ . 1 . 2]" 1
140 1 11 ALA MB 1 31 LEU HG . . 4.250 4.120 3.885 4.281 0.031 8 0 "[ . 1 . 2]" 1
141 1 11 ALA MB 1 58 VAL MG1 . . 3.400 2.522 2.037 2.958 . 0 0 "[ . 1 . 2]" 1
142 1 11 ALA MB 1 58 VAL MG2 . . 4.970 4.639 4.209 4.999 0.029 6 0 "[ . 1 . 2]" 1
143 1 12 LYS H 1 12 LYS QB . . 3.150 2.299 2.133 2.560 . 0 0 "[ . 1 . 2]" 1
144 1 12 LYS H 1 13 PHE H . . 3.010 2.343 2.015 2.553 . 0 0 "[ . 1 . 2]" 1
145 1 12 LYS H 1 58 VAL HA . . 3.320 2.231 1.811 3.215 . 0 0 "[ . 1 . 2]" 1
146 1 12 LYS HA 1 12 LYS QB . . 2.310 2.373 2.207 2.437 0.127 13 0 "[ . 1 . 2]" 1
147 1 12 LYS HA 1 13 PHE HA . . 5.040 4.538 4.375 4.585 . 0 0 "[ . 1 . 2]" 1
148 1 12 LYS QG 1 13 PHE H . . 4.260 3.697 2.713 4.281 0.021 10 0 "[ . 1 . 2]" 1
149 1 13 PHE H 1 13 PHE HB2 . . 4.120 2.710 2.592 2.797 . 0 0 "[ . 1 . 2]" 1
150 1 13 PHE H 1 13 PHE QD . . 4.820 3.502 3.234 3.813 . 0 0 "[ . 1 . 2]" 1
151 1 13 PHE H 1 14 ASP H . . 5.210 4.414 4.334 4.466 . 0 0 "[ . 1 . 2]" 1
152 1 13 PHE H 1 25 ILE MD . . 3.810 3.480 3.270 3.747 . 0 0 "[ . 1 . 2]" 1
153 1 13 PHE H 1 27 LYS HA . . 5.220 3.782 3.460 3.999 . 0 0 "[ . 1 . 2]" 1
154 1 13 PHE H 1 57 TYR H . . 5.500 5.558 5.500 5.636 0.136 10 0 "[ . 1 . 2]" 1
155 1 13 PHE H 1 57 TYR QD . . 4.210 3.874 3.594 4.211 0.001 10 0 "[ . 1 . 2]" 1
156 1 13 PHE HA 1 13 PHE HB3 . . 2.710 2.520 2.457 2.588 . 0 0 "[ . 1 . 2]" 1
157 1 13 PHE HA 1 13 PHE QD . . 3.730 2.566 2.369 2.877 . 0 0 "[ . 1 . 2]" 1
158 1 13 PHE HA 1 14 ASP H . . 2.620 2.329 2.175 2.462 . 0 0 "[ . 1 . 2]" 1
159 1 13 PHE HA 1 27 LYS HA . . 2.830 2.828 2.480 2.966 0.136 10 0 "[ . 1 . 2]" 1
160 1 13 PHE HA 1 27 LYS HB2 . . 2.460 2.421 2.161 2.513 0.053 19 0 "[ . 1 . 2]" 1
161 1 13 PHE HA 1 27 LYS QD . . 3.430 3.186 2.736 3.475 0.045 11 0 "[ . 1 . 2]" 1
162 1 13 PHE HA 1 27 LYS QG . . 3.930 2.552 2.174 3.113 . 0 0 "[ . 1 . 2]" 1
163 1 13 PHE HA 1 57 TYR QD . . 4.860 4.423 4.204 4.866 0.006 19 0 "[ . 1 . 2]" 1
164 1 13 PHE HB2 1 14 ASP H . . 4.780 3.752 3.519 3.984 . 0 0 "[ . 1 . 2]" 1
165 1 13 PHE HB2 1 57 TYR QD . . 5.500 1.969 1.740 2.567 . 0 0 "[ . 1 . 2]" 1
166 1 13 PHE HB3 1 14 ASP H . . 2.790 2.533 2.299 2.798 0.008 10 0 "[ . 1 . 2]" 1
167 1 13 PHE HB3 1 57 TYR HB3 . . 4.460 4.418 4.024 4.523 0.063 1 0 "[ . 1 . 2]" 1
168 1 13 PHE HB3 1 57 TYR QE . . 5.500 3.512 2.884 4.208 . 0 0 "[ . 1 . 2]" 1
169 1 13 PHE QD 1 57 TYR HA . . 3.680 2.865 2.277 3.414 . 0 0 "[ . 1 . 2]" 1
170 1 13 PHE QE 1 57 TYR HA . . 5.500 4.957 4.090 5.525 0.025 6 0 "[ . 1 . 2]" 1
171 1 14 ASP H 1 14 ASP HB2 . . 3.250 2.745 2.393 3.498 0.248 17 0 "[ . 1 . 2]" 1
172 1 14 ASP H 1 14 ASP HB3 . . 3.540 3.445 2.838 3.598 0.058 15 0 "[ . 1 . 2]" 1
173 1 14 ASP H 1 27 LYS H . . 3.600 3.428 3.038 3.642 0.042 18 0 "[ . 1 . 2]" 1
174 1 14 ASP H 1 27 LYS HA . . 5.230 3.555 3.472 3.640 . 0 0 "[ . 1 . 2]" 1
175 1 14 ASP H 1 27 LYS HB2 . . 3.210 2.223 2.045 2.368 . 0 0 "[ . 1 . 2]" 1
176 1 14 ASP H 1 28 ASN H . . 5.500 5.584 5.505 5.655 0.155 16 0 "[ . 1 . 2]" 1
177 1 14 ASP HA 1 14 ASP HB3 . . 2.400 2.419 2.280 2.543 0.143 4 0 "[ . 1 . 2]" 1
178 1 14 ASP HA 1 15 TYR H . . 2.670 2.151 2.094 2.173 . 0 0 "[ . 1 . 2]" 1
179 1 14 ASP HA 1 25 ILE MD . . 4.000 3.169 2.707 3.406 . 0 0 "[ . 1 . 2]" 1
180 1 14 ASP HA 1 26 LYS HA . . 2.400 2.247 2.004 2.504 0.104 4 0 "[ . 1 . 2]" 1
181 1 14 ASP HA 1 26 LYS QD . . 4.410 3.389 2.747 3.890 . 0 0 "[ . 1 . 2]" 1
182 1 14 ASP HA 1 27 LYS H . . 2.580 2.538 2.350 2.661 0.081 17 0 "[ . 1 . 2]" 1
183 1 14 ASP HA 1 57 TYR QD . . 5.500 5.040 4.480 5.553 0.053 15 0 "[ . 1 . 2]" 1
184 1 14 ASP HB2 1 25 ILE MD . . 5.500 5.440 4.814 5.622 0.122 12 0 "[ . 1 . 2]" 1
185 1 14 ASP HB3 1 15 TYR H . . 3.600 3.379 3.173 3.742 0.142 14 0 "[ . 1 . 2]" 1
186 1 14 ASP HB3 1 27 LYS H . . 4.180 3.321 1.719 4.224 0.044 2 0 "[ . 1 . 2]" 1
187 1 15 TYR H 1 15 TYR HB3 . . 3.270 2.677 2.623 2.713 . 0 0 "[ . 1 . 2]" 1
188 1 15 TYR H 1 25 ILE MD . . 5.030 2.875 2.539 3.144 . 0 0 "[ . 1 . 2]" 1
189 1 15 TYR H 1 25 ILE HG12 . . 4.770 3.902 3.521 4.230 . 0 0 "[ . 1 . 2]" 1
190 1 15 TYR H 1 25 ILE HG13 . . 3.230 2.254 1.903 2.617 . 0 0 "[ . 1 . 2]" 1
191 1 15 TYR H 1 26 LYS HA . . 4.460 3.011 2.722 3.355 . 0 0 "[ . 1 . 2]" 1
192 1 15 TYR HA 1 15 TYR QD . . 3.040 2.610 2.444 2.722 . 0 0 "[ . 1 . 2]" 1
193 1 15 TYR HA 1 16 VAL H . . 2.580 2.128 2.103 2.164 . 0 0 "[ . 1 . 2]" 1
194 1 15 TYR HA 1 16 VAL MG2 . . 5.500 3.666 3.528 3.772 . 0 0 "[ . 1 . 2]" 1
195 1 15 TYR HB2 1 16 VAL H . . 5.320 4.240 4.134 4.297 . 0 0 "[ . 1 . 2]" 1
196 1 15 TYR HB3 1 16 VAL H . . 5.500 4.469 4.397 4.515 . 0 0 "[ . 1 . 2]" 1
197 1 15 TYR HB3 1 25 ILE H . . 4.920 3.503 3.332 3.903 . 0 0 "[ . 1 . 2]" 1
198 1 15 TYR HB3 1 25 ILE MD . . 3.030 2.350 2.185 2.540 . 0 0 "[ . 1 . 2]" 1
199 1 15 TYR HB3 1 25 ILE HG12 . . 3.100 2.200 1.913 2.458 . 0 0 "[ . 1 . 2]" 1
200 1 15 TYR HB3 1 25 ILE HG13 . . 3.460 1.861 1.751 2.174 . 0 0 "[ . 1 . 2]" 1
201 1 15 TYR QD 1 17 ALA HA . . 4.920 4.666 4.571 4.824 . 0 0 "[ . 1 . 2]" 1
202 1 15 TYR QD 1 23 LEU H . . 5.500 5.437 5.152 5.551 0.051 11 0 "[ . 1 . 2]" 1
203 1 15 TYR QD 1 25 ILE HG12 . . 4.040 2.230 2.017 2.548 . 0 0 "[ . 1 . 2]" 1
204 1 15 TYR QD 1 25 ILE HG13 . . 4.200 2.938 2.606 3.314 . 0 0 "[ . 1 . 2]" 1
205 1 15 TYR QD 1 53 VAL HA . . 4.430 3.777 3.513 4.050 . 0 0 "[ . 1 . 2]" 1
206 1 15 TYR QD 1 53 VAL HB . . 4.430 3.344 3.019 3.865 . 0 0 "[ . 1 . 2]" 1
207 1 15 TYR QD 1 53 VAL MG1 . . 3.740 2.444 2.220 2.703 . 0 0 "[ . 1 . 2]" 1
208 1 15 TYR QD 1 54 PRO QD . . 4.100 2.741 2.498 2.996 . 0 0 "[ . 1 . 2]" 1
209 1 15 TYR QD 1 58 VAL MG2 . . 5.500 5.593 5.480 5.683 0.183 4 0 "[ . 1 . 2]" 1
210 1 15 TYR QE 1 17 ALA HA . . 3.470 3.534 3.434 3.650 0.180 4 0 "[ . 1 . 2]" 1
211 1 15 TYR QE 1 17 ALA MB . . 5.500 3.260 2.777 3.786 . 0 0 "[ . 1 . 2]" 1
212 1 15 TYR QE 1 18 GLN H . . 5.500 4.940 4.402 5.384 . 0 0 "[ . 1 . 2]" 1
213 1 15 TYR QE 1 22 GLU QB . . 4.970 3.723 3.389 4.054 . 0 0 "[ . 1 . 2]" 1
214 1 15 TYR QE 1 25 ILE MG . . 4.220 4.178 3.890 4.304 0.084 4 0 "[ . 1 . 2]" 1
215 1 15 TYR QE 1 53 VAL HA . . 3.890 2.818 2.496 3.314 . 0 0 "[ . 1 . 2]" 1
216 1 15 TYR QE 1 53 VAL MG2 . . 5.200 4.841 4.545 5.200 . 0 0 "[ . 1 . 2]" 1
217 1 15 TYR QE 1 54 PRO HG2 . . 5.180 4.786 4.494 4.938 . 0 0 "[ . 1 . 2]" 1
218 1 15 TYR QE 1 54 PRO HG3 . . 3.970 3.761 3.304 4.029 0.059 16 0 "[ . 1 . 2]" 1
219 1 15 TYR QE 1 58 VAL MG1 . . 5.500 5.226 4.994 5.493 . 0 0 "[ . 1 . 2]" 1
220 1 16 VAL H 1 16 VAL HB . . 2.880 2.564 2.529 2.602 . 0 0 "[ . 1 . 2]" 1
221 1 16 VAL H 1 16 VAL MG2 . . 3.050 2.277 2.106 2.405 . 0 0 "[ . 1 . 2]" 1
222 1 16 VAL HA 1 16 VAL MG1 . . 2.660 2.371 2.357 2.397 . 0 0 "[ . 1 . 2]" 1
223 1 16 VAL HA 1 16 VAL MG2 . . 2.790 2.425 2.391 2.456 . 0 0 "[ . 1 . 2]" 1
224 1 16 VAL HA 1 17 ALA H . . 2.410 2.165 2.109 2.242 . 0 0 "[ . 1 . 2]" 1
225 1 16 VAL HA 1 24 ASP HA . . 4.130 3.609 3.200 4.099 . 0 0 "[ . 1 . 2]" 1
226 1 16 VAL MG1 1 17 ALA H . . 3.110 2.556 2.262 2.851 . 0 0 "[ . 1 . 2]" 1
227 1 16 VAL MG1 1 17 ALA MB . . 3.800 3.825 3.575 3.947 0.147 6 0 "[ . 1 . 2]" 1
228 1 17 ALA H 1 17 ALA MB . . 2.660 2.295 2.242 2.363 . 0 0 "[ . 1 . 2]" 1
229 1 17 ALA H 1 18 GLN HA . . 5.090 5.230 5.144 5.340 0.250 19 0 "[ . 1 . 2]" 1
230 1 17 ALA H 1 24 ASP HA . . 3.770 2.930 2.230 3.505 . 0 0 "[ . 1 . 2]" 1
231 1 17 ALA H 1 24 ASP QB . . 4.520 2.552 1.937 3.015 . 0 0 "[ . 1 . 2]" 1
232 1 17 ALA H 1 25 ILE H . . 5.190 4.206 3.518 4.675 . 0 0 "[ . 1 . 2]" 1
233 1 17 ALA HA 1 18 GLN H . . 2.560 2.339 2.139 2.581 0.021 7 0 "[ . 1 . 2]" 1
234 1 17 ALA HA 1 18 GLN HA . . 5.220 4.301 4.244 4.389 . 0 0 "[ . 1 . 2]" 1
235 1 17 ALA HA 1 19 GLN H . . 4.960 4.438 3.607 5.061 0.101 11 0 "[ . 1 . 2]" 1
236 1 17 ALA MB 1 18 GLN H . . 3.910 2.636 2.130 3.274 . 0 0 "[ . 1 . 2]" 1
237 1 17 ALA MB 1 19 GLN H . . 4.130 3.147 2.765 3.569 . 0 0 "[ . 1 . 2]" 1
238 1 17 ALA MB 1 19 GLN HA . . 4.990 4.611 4.063 5.020 0.030 9 0 "[ . 1 . 2]" 1
239 1 17 ALA MB 1 22 GLU HB2 . . 3.760 1.992 1.764 2.884 . 0 0 "[ . 1 . 2]" 1
240 1 17 ALA MB 1 22 GLU QB . . 3.060 1.958 1.746 2.813 . 0 0 "[ . 1 . 2]" 1
241 1 17 ALA MB 1 22 GLU HB3 . . 3.760 2.959 2.309 3.909 0.149 15 0 "[ . 1 . 2]" 1
242 1 17 ALA MB 1 22 GLU QG . . 3.460 3.099 1.726 3.602 0.142 4 0 "[ . 1 . 2]" 1
243 1 17 ALA MB 1 23 LEU H . . 5.280 3.352 3.063 3.641 . 0 0 "[ . 1 . 2]" 1
244 1 17 ALA MB 1 24 ASP H . . 4.970 3.362 2.940 3.617 . 0 0 "[ . 1 . 2]" 1
245 1 17 ALA MB 1 24 ASP HA . . 4.030 2.437 2.067 2.696 . 0 0 "[ . 1 . 2]" 1
246 1 17 ALA MB 1 24 ASP QB . . 3.900 2.271 1.925 2.771 . 0 0 "[ . 1 . 2]" 1
247 1 17 ALA MB 1 25 ILE MG . . 4.780 4.766 4.549 4.849 0.069 2 0 "[ . 1 . 2]" 1
248 1 17 ALA MB 1 53 VAL MG1 . . 5.070 4.275 3.934 4.555 . 0 0 "[ . 1 . 2]" 1
249 1 18 GLN H 1 18 GLN HB2 . . 3.650 2.459 2.233 2.589 . 0 0 "[ . 1 . 2]" 1
250 1 18 GLN H 1 18 GLN QB . . 3.090 2.360 2.210 2.533 . 0 0 "[ . 1 . 2]" 1
251 1 18 GLN H 1 18 GLN HB3 . . 3.650 3.299 2.425 3.709 0.059 10 0 "[ . 1 . 2]" 1
252 1 18 GLN H 1 18 GLN QE . . 5.340 3.574 2.284 5.069 . 0 0 "[ . 1 . 2]" 1
253 1 18 GLN H 1 18 GLN QG . . 3.910 2.933 2.186 3.954 0.044 18 0 "[ . 1 . 2]" 1
254 1 18 GLN H 1 19 GLN H . . 3.450 2.581 2.198 2.908 . 0 0 "[ . 1 . 2]" 1
255 1 18 GLN HA 1 18 GLN QB . . 2.590 2.377 2.320 2.452 . 0 0 "[ . 1 . 2]" 1
256 1 18 GLN HA 1 18 GLN QE . . 4.060 4.079 2.565 4.325 0.265 7 0 "[ . 1 . 2]" 1
257 1 18 GLN HA 1 18 GLN HG2 . . 3.320 2.800 2.462 3.445 0.125 4 0 "[ . 1 . 2]" 1
258 1 18 GLN HA 1 18 GLN QG . . 2.530 2.441 2.303 2.606 0.076 16 0 "[ . 1 . 2]" 1
259 1 18 GLN HA 1 18 GLN HG3 . . 3.320 2.811 2.339 3.559 0.239 16 0 "[ . 1 . 2]" 1
260 1 18 GLN QB 1 18 GLN QG . . 2.160 2.061 1.992 2.082 . 0 0 "[ . 1 . 2]" 1
261 1 18 GLN QB 1 19 GLN H . . 3.310 2.433 1.956 2.839 . 0 0 "[ . 1 . 2]" 1
262 1 18 GLN HB2 1 18 GLN HG2 . . 2.970 2.935 2.450 3.007 0.037 9 0 "[ . 1 . 2]" 1
263 1 18 GLN HB2 1 18 GLN HG3 . . 2.970 2.508 2.236 2.938 . 0 0 "[ . 1 . 2]" 1
264 1 18 GLN HB3 1 18 GLN HG2 . . 2.970 2.430 2.230 2.998 0.028 16 0 "[ . 1 . 2]" 1
265 1 18 GLN HB3 1 18 GLN HG3 . . 2.970 2.935 2.440 3.005 0.035 15 0 "[ . 1 . 2]" 1
266 1 18 GLN QE 1 19 GLN H . . 4.220 4.096 3.512 4.337 0.117 1 0 "[ . 1 . 2]" 1
267 1 18 GLN QG 1 19 GLN H . . 5.330 3.946 2.976 4.430 . 0 0 "[ . 1 . 2]" 1
268 1 19 GLN H 1 19 GLN HB2 . . 3.070 2.737 2.566 3.130 0.060 3 0 "[ . 1 . 2]" 1
269 1 19 GLN H 1 22 GLU H . . 5.070 3.767 3.148 4.643 . 0 0 "[ . 1 . 2]" 1
270 1 19 GLN H 1 22 GLU QB . . 5.340 3.401 2.727 4.589 . 0 0 "[ . 1 . 2]" 1
271 1 19 GLN HB2 1 19 GLN QG . . 2.320 2.224 2.158 2.485 0.165 4 0 "[ . 1 . 2]" 1
272 1 20 GLU HA 1 20 GLU QB . . 2.550 2.331 2.147 2.395 . 0 0 "[ . 1 . 2]" 1
273 1 20 GLU HA 1 20 GLU QG . . 3.100 2.552 2.320 3.398 0.298 14 0 "[ . 1 . 2]" 1
274 1 20 GLU QB 1 20 GLU QG . . 2.400 2.049 1.993 2.086 . 0 0 "[ . 1 . 2]" 1
275 1 20 GLU QB 1 21 GLN H . . 4.150 3.319 3.093 3.853 . 0 0 "[ . 1 . 2]" 1
276 1 20 GLU QB 1 47 MET QG . . 5.340 5.206 4.103 5.501 0.161 16 0 "[ . 1 . 2]" 1
277 1 20 GLU QG 1 47 MET QG . . 5.340 4.789 3.879 5.481 0.141 14 0 "[ . 1 . 2]" 1
278 1 21 GLN H 1 21 GLN QG . . 3.100 2.123 1.909 2.564 . 0 0 "[ . 1 . 2]" 1
279 1 21 GLN H 1 22 GLU H . . 3.380 2.464 2.347 2.745 . 0 0 "[ . 1 . 2]" 1
280 1 21 GLN HA 1 21 GLN QB . . 2.540 2.186 2.175 2.191 . 0 0 "[ . 1 . 2]" 1
281 1 21 GLN HA 1 21 GLN QG . . 3.530 3.333 3.299 3.346 . 0 0 "[ . 1 . 2]" 1
282 1 21 GLN QG 1 22 GLU H . . 2.660 2.466 2.266 2.680 0.020 9 0 "[ . 1 . 2]" 1
283 1 21 GLN QG 1 22 GLU QB . . 3.440 3.450 3.195 3.618 0.178 14 0 "[ . 1 . 2]" 1
284 1 21 GLN QG 1 22 GLU QG . . 3.100 1.961 1.762 2.400 . 0 0 "[ . 1 . 2]" 1
285 1 22 GLU H 1 22 GLU QG . . 3.240 2.490 1.822 2.989 . 0 0 "[ . 1 . 2]" 1
286 1 22 GLU H 1 23 LEU H . . 4.570 4.442 4.406 4.490 . 0 0 "[ . 1 . 2]" 1
287 1 22 GLU HA 1 22 GLU QG . . 3.510 2.971 2.467 3.288 . 0 0 "[ . 1 . 2]" 1
288 1 22 GLU HA 1 23 LEU H . . 2.830 2.643 2.575 2.708 . 0 0 "[ . 1 . 2]" 1
289 1 22 GLU HA 1 52 PHE H . . 3.080 2.951 2.399 3.160 0.080 20 0 "[ . 1 . 2]" 1
290 1 22 GLU HA 1 52 PHE HB2 . . 5.500 4.983 4.306 5.331 . 0 0 "[ . 1 . 2]" 1
291 1 22 GLU QB 1 23 LEU H . . 3.290 2.119 1.953 2.301 . 0 0 "[ . 1 . 2]" 1
292 1 22 GLU HB2 1 23 LEU H . . 4.010 3.041 2.030 3.381 . 0 0 "[ . 1 . 2]" 1
293 1 22 GLU HB3 1 23 LEU H . . 4.010 2.335 1.969 3.402 . 0 0 "[ . 1 . 2]" 1
294 1 23 LEU H 1 23 LEU HB2 . . 3.310 2.588 2.517 2.673 . 0 0 "[ . 1 . 2]" 1
295 1 23 LEU H 1 23 LEU HB3 . . 3.240 2.842 2.787 2.911 . 0 0 "[ . 1 . 2]" 1
296 1 23 LEU H 1 25 ILE MG . . 5.230 5.200 5.097 5.287 0.057 20 0 "[ . 1 . 2]" 1
297 1 23 LEU H 1 43 VAL MG2 . . 5.500 4.911 4.549 5.188 . 0 0 "[ . 1 . 2]" 1
298 1 23 LEU H 1 52 PHE H . . 4.980 3.079 2.554 3.451 . 0 0 "[ . 1 . 2]" 1
299 1 23 LEU H 1 53 VAL MG1 . . 4.050 3.433 3.274 3.571 . 0 0 "[ . 1 . 2]" 1
300 1 23 LEU HA 1 23 LEU MD1 . . 3.350 2.820 2.723 2.959 . 0 0 "[ . 1 . 2]" 1
301 1 23 LEU HA 1 24 ASP H . . 2.550 2.180 2.128 2.228 . 0 0 "[ . 1 . 2]" 1
302 1 23 LEU HA 1 43 VAL MG2 . . 5.420 4.666 4.443 4.882 . 0 0 "[ . 1 . 2]" 1
303 1 23 LEU HA 1 50 THR H . . 4.810 4.834 4.545 4.915 0.105 7 0 "[ . 1 . 2]" 1
304 1 23 LEU HA 1 50 THR MG . . 5.500 5.612 5.517 5.663 0.163 7 0 "[ . 1 . 2]" 1
305 1 23 LEU HB2 1 50 THR HA . . 5.440 3.871 3.612 4.187 . 0 0 "[ . 1 . 2]" 1
306 1 23 LEU HB2 1 51 GLY H . . 3.310 2.807 2.615 3.093 . 0 0 "[ . 1 . 2]" 1
307 1 23 LEU HB2 1 51 GLY QA . . 5.340 2.530 2.242 2.875 . 0 0 "[ . 1 . 2]" 1
308 1 23 LEU HB2 1 53 VAL HA . . 5.500 5.304 5.094 5.490 . 0 0 "[ . 1 . 2]" 1
309 1 23 LEU HB2 1 53 VAL MG1 . . 3.480 2.890 2.803 2.984 . 0 0 "[ . 1 . 2]" 1
310 1 23 LEU HB3 1 24 ASP H . . 4.130 3.949 3.908 3.981 . 0 0 "[ . 1 . 2]" 1
311 1 23 LEU HB3 1 25 ILE MG . . 3.140 3.203 3.134 3.266 0.126 7 0 "[ . 1 . 2]" 1
312 1 23 LEU HB3 1 43 VAL MG2 . . 3.850 2.775 2.502 3.005 . 0 0 "[ . 1 . 2]" 1
313 1 23 LEU HB3 1 53 VAL HA . . 4.370 4.305 4.122 4.449 0.079 10 0 "[ . 1 . 2]" 1
314 1 23 LEU HB3 1 53 VAL HB . . 4.560 4.570 4.492 4.635 0.075 18 0 "[ . 1 . 2]" 1
315 1 23 LEU HB3 1 53 VAL MG1 . . 4.200 1.791 1.748 1.909 . 0 0 "[ . 1 . 2]" 1
316 1 23 LEU MD1 1 24 ASP H . . 3.230 2.351 2.231 2.507 . 0 0 "[ . 1 . 2]" 1
317 1 23 LEU MD1 1 25 ILE HB . . 5.500 4.079 3.975 4.173 . 0 0 "[ . 1 . 2]" 1
318 1 23 LEU MD1 1 25 ILE MG . . 2.810 1.845 1.770 1.923 . 0 0 "[ . 1 . 2]" 1
319 1 23 LEU MD1 1 31 LEU HB3 . . 5.500 3.586 3.319 3.861 . 0 0 "[ . 1 . 2]" 1
320 1 23 LEU MD1 1 31 LEU HG . . 5.500 2.750 2.525 3.074 . 0 0 "[ . 1 . 2]" 1
321 1 23 LEU MD1 1 43 VAL MG2 . . 2.820 2.273 2.115 2.488 . 0 0 "[ . 1 . 2]" 1
322 1 23 LEU MD1 1 44 ARG HA . . 5.500 3.724 3.288 4.139 . 0 0 "[ . 1 . 2]" 1
323 1 23 LEU MD1 1 49 LYS HB2 . . 5.500 4.551 4.099 5.032 . 0 0 "[ . 1 . 2]" 1
324 1 23 LEU MD1 1 49 LYS HB3 . . 5.500 5.412 5.008 5.561 0.061 3 0 "[ . 1 . 2]" 1
325 1 23 LEU MD1 1 53 VAL HA . . 5.500 5.342 5.177 5.507 0.007 13 0 "[ . 1 . 2]" 1
326 1 23 LEU MD1 1 53 VAL HB . . 5.500 4.673 4.543 4.910 . 0 0 "[ . 1 . 2]" 1
327 1 23 LEU MD1 1 53 VAL MG1 . . 5.500 2.322 2.212 2.534 . 0 0 "[ . 1 . 2]" 1
328 1 23 LEU MD2 1 25 ILE MG . . 4.290 4.016 3.922 4.130 . 0 0 "[ . 1 . 2]" 1
329 1 23 LEU MD2 1 31 LEU MD1 . . 4.750 4.036 3.694 4.489 . 0 0 "[ . 1 . 2]" 1
330 1 23 LEU MD2 1 43 VAL MG2 . . 4.210 3.261 3.030 3.499 . 0 0 "[ . 1 . 2]" 1
331 1 23 LEU MD2 1 45 ASN HB2 . . 5.500 3.325 2.168 4.265 . 0 0 "[ . 1 . 2]" 1
332 1 23 LEU MD2 1 45 ASN QB . . 4.750 2.634 2.035 3.106 . 0 0 "[ . 1 . 2]" 1
333 1 23 LEU MD2 1 45 ASN HB3 . . 5.500 2.906 2.464 3.451 . 0 0 "[ . 1 . 2]" 1
334 1 23 LEU MD2 1 45 ASN QD . . 5.180 3.590 2.546 4.773 . 0 0 "[ . 1 . 2]" 1
335 1 23 LEU MD2 1 50 THR MG . . 5.500 3.400 3.174 3.587 . 0 0 "[ . 1 . 2]" 1
336 1 23 LEU MD2 1 51 GLY H . . 5.150 2.701 2.428 3.045 . 0 0 "[ . 1 . 2]" 1
337 1 23 LEU MD2 1 53 VAL MG1 . . 5.500 4.007 3.938 4.070 . 0 0 "[ . 1 . 2]" 1
338 1 23 LEU HG 1 25 ILE MG . . 4.950 3.878 3.766 4.001 . 0 0 "[ . 1 . 2]" 1
339 1 23 LEU HG 1 31 LEU HG . . 5.500 4.497 4.184 4.906 . 0 0 "[ . 1 . 2]" 1
340 1 23 LEU HG 1 53 VAL MG1 . . 5.150 3.227 3.021 3.367 . 0 0 "[ . 1 . 2]" 1
341 1 24 ASP H 1 24 ASP HB2 . . 3.730 3.430 2.672 3.731 0.001 3 0 "[ . 1 . 2]" 1
342 1 24 ASP H 1 24 ASP QB . . 2.970 2.574 2.286 2.971 0.001 6 0 "[ . 1 . 2]" 1
343 1 24 ASP H 1 24 ASP HB3 . . 3.730 2.681 2.401 3.157 . 0 0 "[ . 1 . 2]" 1
344 1 24 ASP HA 1 24 ASP HB2 . . 2.730 2.417 2.311 2.591 . 0 0 "[ . 1 . 2]" 1
345 1 24 ASP HA 1 24 ASP QB . . 2.380 2.236 2.169 2.396 0.016 19 0 "[ . 1 . 2]" 1
346 1 24 ASP HA 1 24 ASP HB3 . . 2.730 2.671 2.337 3.000 0.270 15 0 "[ . 1 . 2]" 1
347 1 24 ASP HA 1 25 ILE H . . 2.630 2.183 2.147 2.217 . 0 0 "[ . 1 . 2]" 1
348 1 25 ILE H 1 25 ILE HG12 . . 3.550 3.230 3.044 3.426 . 0 0 "[ . 1 . 2]" 1
349 1 25 ILE H 1 25 ILE HG13 . . 4.850 2.447 2.294 2.574 . 0 0 "[ . 1 . 2]" 1
350 1 25 ILE H 1 25 ILE MG . . 4.130 2.830 2.709 2.924 . 0 0 "[ . 1 . 2]" 1
351 1 25 ILE HA 1 25 ILE HB . . 2.580 2.407 2.388 2.429 . 0 0 "[ . 1 . 2]" 1
352 1 25 ILE HA 1 25 ILE MG . . 2.610 2.408 2.380 2.438 . 0 0 "[ . 1 . 2]" 1
353 1 25 ILE HA 1 26 LYS H . . 2.570 2.422 2.252 2.587 0.017 10 0 "[ . 1 . 2]" 1
354 1 25 ILE HA 1 29 GLU QG . . 4.550 3.668 3.087 4.471 . 0 0 "[ . 1 . 2]" 1
355 1 25 ILE HB 1 25 ILE MD . . 3.100 2.167 2.151 2.191 . 0 0 "[ . 1 . 2]" 1
356 1 25 ILE HB 1 26 LYS H . . 3.090 2.382 2.094 2.739 . 0 0 "[ . 1 . 2]" 1
357 1 25 ILE HB 1 31 LEU MD2 . . 4.240 2.200 2.030 2.428 . 0 0 "[ . 1 . 2]" 1
358 1 25 ILE HB 1 31 LEU HG . . 5.470 3.583 3.140 3.845 . 0 0 "[ . 1 . 2]" 1
359 1 25 ILE HB 1 53 VAL MG1 . . 5.500 4.283 4.116 4.450 . 0 0 "[ . 1 . 2]" 1
360 1 25 ILE MD 1 26 LYS H . . 4.230 3.160 2.811 3.719 . 0 0 "[ . 1 . 2]" 1
361 1 25 ILE MD 1 26 LYS HA . . 5.500 3.716 3.409 4.179 . 0 0 "[ . 1 . 2]" 1
362 1 25 ILE MD 1 27 LYS HA . . 5.500 3.915 3.743 4.145 . 0 0 "[ . 1 . 2]" 1
363 1 25 ILE MD 1 29 GLU H . . 4.440 4.481 4.361 4.541 0.101 8 0 "[ . 1 . 2]" 1
364 1 25 ILE MD 1 29 GLU HB2 . . 5.500 5.140 4.580 5.523 0.023 1 0 "[ . 1 . 2]" 1
365 1 25 ILE MD 1 29 GLU HB3 . . 5.500 4.149 3.834 4.478 . 0 0 "[ . 1 . 2]" 1
366 1 25 ILE MD 1 31 LEU HB2 . . 5.500 5.622 5.562 5.662 0.162 15 0 "[ . 1 . 2]" 1
367 1 25 ILE MD 1 31 LEU MD2 . . 2.840 2.912 2.864 2.952 0.112 5 0 "[ . 1 . 2]" 1
368 1 25 ILE MD 1 53 VAL MG1 . . 4.010 3.853 3.601 3.998 . 0 0 "[ . 1 . 2]" 1
369 1 25 ILE MD 1 54 PRO HG3 . . 5.500 5.159 4.953 5.354 . 0 0 "[ . 1 . 2]" 1
370 1 25 ILE MD 1 57 TYR HB3 . . 5.050 2.615 2.227 3.032 . 0 0 "[ . 1 . 2]" 1
371 1 25 ILE MD 1 57 TYR QD . . 5.500 4.096 3.684 4.538 . 0 0 "[ . 1 . 2]" 1
372 1 25 ILE MD 1 58 VAL HA . . 5.500 3.256 3.115 3.471 . 0 0 "[ . 1 . 2]" 1
373 1 25 ILE MD 1 58 VAL HB . . 3.640 3.802 3.731 3.882 0.242 7 0 "[ . 1 . 2]" 1
374 1 25 ILE MD 1 58 VAL MG1 . . 2.400 1.681 1.656 1.708 . 0 0 "[ . 1 . 2]" 1
375 1 25 ILE MD 1 59 GLU H . . 5.130 4.882 4.637 5.141 0.011 7 0 "[ . 1 . 2]" 1
376 1 25 ILE HG12 1 25 ILE MG . . 2.940 2.127 2.112 2.143 . 0 0 "[ . 1 . 2]" 1
377 1 25 ILE HG12 1 26 LYS H . . 5.050 4.758 4.459 5.064 0.014 11 0 "[ . 1 . 2]" 1
378 1 25 ILE HG12 1 43 VAL MG2 . . 5.500 4.870 4.681 5.055 . 0 0 "[ . 1 . 2]" 1
379 1 25 ILE HG12 1 53 VAL MG1 . . 4.840 2.895 2.716 2.997 . 0 0 "[ . 1 . 2]" 1
380 1 25 ILE HG12 1 54 PRO HG3 . . 5.500 5.545 5.511 5.590 0.090 11 0 "[ . 1 . 2]" 1
381 1 25 ILE HG12 1 58 VAL HA . . 5.500 5.525 5.046 5.625 0.125 16 0 "[ . 1 . 2]" 1
382 1 25 ILE HG12 1 58 VAL HB . . 5.500 5.447 4.917 5.572 0.072 20 0 "[ . 1 . 2]" 1
383 1 25 ILE HG12 1 58 VAL MG2 . . 5.500 4.953 4.556 5.209 . 0 0 "[ . 1 . 2]" 1
384 1 25 ILE HG13 1 31 LEU MD1 . . 5.500 5.269 5.101 5.467 . 0 0 "[ . 1 . 2]" 1
385 1 25 ILE HG13 1 54 PRO HG2 . . 5.500 5.548 5.477 5.610 0.110 4 0 "[ . 1 . 2]" 1
386 1 25 ILE MG 1 31 LEU HG . . 3.140 2.066 1.917 2.234 . 0 0 "[ . 1 . 2]" 1
387 1 25 ILE MG 1 53 VAL HB . . 5.500 3.402 3.248 3.620 . 0 0 "[ . 1 . 2]" 1
388 1 25 ILE MG 1 53 VAL MG1 . . 3.000 1.941 1.788 2.079 . 0 0 "[ . 1 . 2]" 1
389 1 26 LYS H 1 26 LYS QB . . 3.120 2.556 2.374 2.708 . 0 0 "[ . 1 . 2]" 1
390 1 26 LYS H 1 29 GLU H . . 4.230 3.966 3.810 4.156 . 0 0 "[ . 1 . 2]" 1
391 1 26 LYS H 1 29 GLU QB . . 3.350 2.129 1.902 2.402 . 0 0 "[ . 1 . 2]" 1
392 1 26 LYS HA 1 26 LYS QB . . 2.580 2.445 2.356 2.525 . 0 0 "[ . 1 . 2]" 1
393 1 26 LYS HA 1 26 LYS QD . . 2.400 2.060 1.835 2.337 . 0 0 "[ . 1 . 2]" 1
394 1 26 LYS HA 1 26 LYS QG . . 2.910 2.736 2.473 2.948 0.038 8 0 "[ . 1 . 2]" 1
395 1 26 LYS HA 1 27 LYS H . . 2.470 2.363 2.291 2.437 . 0 0 "[ . 1 . 2]" 1
396 1 26 LYS QB 1 29 GLU QB . . 4.530 1.854 1.734 2.148 . 0 0 "[ . 1 . 2]" 1
397 1 26 LYS QB 1 31 LEU MD1 . . 5.340 4.843 4.453 5.098 . 0 0 "[ . 1 . 2]" 1
398 1 26 LYS HB2 1 26 LYS QG . . 2.620 2.374 2.327 2.431 . 0 0 "[ . 1 . 2]" 1
399 1 26 LYS HB2 1 29 GLU QG . . 5.500 3.509 3.049 3.859 . 0 0 "[ . 1 . 2]" 1
400 1 26 LYS HB3 1 26 LYS QG . . 2.620 2.162 2.149 2.170 . 0 0 "[ . 1 . 2]" 1
401 1 26 LYS HB3 1 29 GLU QG . . 5.500 3.115 2.704 3.657 . 0 0 "[ . 1 . 2]" 1
402 1 26 LYS QD 1 29 GLU QG . . 5.500 5.359 5.026 5.648 0.148 11 0 "[ . 1 . 2]" 1
403 1 26 LYS QE 1 27 LYS H . . 5.070 4.128 3.021 5.133 0.063 11 0 "[ . 1 . 2]" 1
404 1 26 LYS QG 1 27 LYS H . . 3.260 2.180 1.937 2.396 . 0 0 "[ . 1 . 2]" 1
405 1 26 LYS QG 1 27 LYS HB3 . . 3.470 3.420 2.994 3.675 0.205 11 0 "[ . 1 . 2]" 1
406 1 26 LYS QG 1 29 GLU QB . . 5.340 3.441 3.012 3.917 . 0 0 "[ . 1 . 2]" 1
407 1 26 LYS QG 1 29 GLU QG . . 5.500 4.526 4.122 4.986 . 0 0 "[ . 1 . 2]" 1
408 1 27 LYS H 1 27 LYS HB3 . . 2.410 2.447 2.371 2.495 0.085 12 0 "[ . 1 . 2]" 1
409 1 27 LYS H 1 28 ASN H . . 5.100 4.519 4.480 4.576 . 0 0 "[ . 1 . 2]" 1
410 1 27 LYS HA 1 27 LYS HB2 . . 2.400 2.406 2.381 2.430 0.030 19 0 "[ . 1 . 2]" 1
411 1 27 LYS HA 1 27 LYS QG . . 2.570 2.514 2.456 2.576 0.006 7 0 "[ . 1 . 2]" 1
412 1 27 LYS HA 1 28 ASN H . . 2.440 2.128 2.107 2.168 . 0 0 "[ . 1 . 2]" 1
413 1 27 LYS HA 1 29 GLU H . . 4.900 3.498 3.411 3.677 . 0 0 "[ . 1 . 2]" 1
414 1 27 LYS HB2 1 27 LYS QG . . 2.760 2.342 2.279 2.397 . 0 0 "[ . 1 . 2]" 1
415 1 27 LYS QD 1 27 LYS QG . . 2.500 2.080 2.004 2.094 . 0 0 "[ . 1 . 2]" 1
416 1 27 LYS QD 1 28 ASN H . . 5.220 4.812 4.408 4.955 . 0 0 "[ . 1 . 2]" 1
417 1 27 LYS QE 1 27 LYS QG . . 3.410 2.185 2.109 2.340 . 0 0 "[ . 1 . 2]" 1
418 1 27 LYS QE 1 28 ASN HA . . 5.500 5.489 5.164 5.629 0.129 1 0 "[ . 1 . 2]" 1
419 1 27 LYS QG 1 28 ASN H . . 3.180 2.769 2.423 2.929 . 0 0 "[ . 1 . 2]" 1
420 1 28 ASN H 1 28 ASN HA . . 2.450 2.268 2.243 2.282 . 0 0 "[ . 1 . 2]" 1
421 1 28 ASN H 1 28 ASN HB2 . . 4.090 3.224 3.114 3.994 . 0 0 "[ . 1 . 2]" 1
422 1 28 ASN H 1 28 ASN QB . . 3.490 3.015 2.957 3.223 . 0 0 "[ . 1 . 2]" 1
423 1 28 ASN H 1 28 ASN HB3 . . 4.090 3.716 3.047 4.111 0.021 1 0 "[ . 1 . 2]" 1
424 1 28 ASN HA 1 28 ASN QB . . 2.560 2.410 2.169 2.474 . 0 0 "[ . 1 . 2]" 1
425 1 28 ASN HA 1 29 GLU H . . 3.160 3.032 2.874 3.124 . 0 0 "[ . 1 . 2]" 1
426 1 28 ASN QB 1 28 ASN QD . . 3.000 2.259 2.108 2.674 . 0 0 "[ . 1 . 2]" 1
427 1 29 GLU H 1 29 GLU HB2 . . 2.840 2.715 2.544 2.867 0.027 10 0 "[ . 1 . 2]" 1
428 1 29 GLU H 1 29 GLU QB . . 2.380 2.347 2.274 2.434 0.054 10 0 "[ . 1 . 2]" 1
429 1 29 GLU H 1 29 GLU HB3 . . 2.840 2.576 2.433 2.776 . 0 0 "[ . 1 . 2]" 1
430 1 29 GLU H 1 30 ARG H . . 4.690 4.550 4.479 4.582 . 0 0 "[ . 1 . 2]" 1
431 1 29 GLU H 1 31 LEU MD2 . . 5.500 4.159 4.018 4.275 . 0 0 "[ . 1 . 2]" 1
432 1 29 GLU HA 1 29 GLU QB . . 2.580 2.389 2.347 2.470 . 0 0 "[ . 1 . 2]" 1
433 1 29 GLU HA 1 29 GLU QG . . 2.850 2.882 2.390 2.970 0.120 2 0 "[ . 1 . 2]" 1
434 1 29 GLU HA 1 30 ARG H . . 2.430 2.264 2.189 2.341 . 0 0 "[ . 1 . 2]" 1
435 1 29 GLU HA 1 30 ARG HA . . 5.140 4.338 4.292 4.369 . 0 0 "[ . 1 . 2]" 1
436 1 29 GLU QB 1 31 LEU MD2 . . 3.800 3.025 2.640 3.283 . 0 0 "[ . 1 . 2]" 1
437 1 29 GLU HB2 1 31 LEU MD1 . . 5.500 4.638 4.187 5.077 . 0 0 "[ . 1 . 2]" 1
438 1 29 GLU HB3 1 31 LEU MD1 . . 5.500 3.427 2.967 3.786 . 0 0 "[ . 1 . 2]" 1
439 1 29 GLU QG 1 30 ARG H . . 2.980 2.429 2.182 2.767 . 0 0 "[ . 1 . 2]" 1
440 1 29 GLU QG 1 30 ARG HA . . 5.350 4.210 3.985 4.517 . 0 0 "[ . 1 . 2]" 1
441 1 29 GLU QG 1 30 ARG HB3 . . 5.500 4.803 4.486 5.223 . 0 0 "[ . 1 . 2]" 1
442 1 29 GLU QG 1 31 LEU MD1 . . 3.530 2.596 2.027 3.059 . 0 0 "[ . 1 . 2]" 1
443 1 29 GLU QG 1 31 LEU MD2 . . 4.490 3.321 2.966 3.646 . 0 0 "[ . 1 . 2]" 1
444 1 29 GLU QG 1 45 ASN QB . . 5.340 4.480 3.806 5.106 . 0 0 "[ . 1 . 2]" 1
445 1 30 ARG H 1 30 ARG HB2 . . 3.700 3.649 3.609 3.680 . 0 0 "[ . 1 . 2]" 1
446 1 30 ARG H 1 30 ARG HB3 . . 2.690 2.644 2.375 2.782 0.092 14 0 "[ . 1 . 2]" 1
447 1 30 ARG HA 1 31 LEU H . . 2.630 2.188 2.148 2.234 . 0 0 "[ . 1 . 2]" 1
448 1 30 ARG HA 1 31 LEU MD2 . . 5.500 2.961 2.809 3.072 . 0 0 "[ . 1 . 2]" 1
449 1 30 ARG HB2 1 30 ARG QD . . 3.050 2.812 2.486 3.153 0.103 19 0 "[ . 1 . 2]" 1
450 1 30 ARG HB2 1 30 ARG HG3 . . 2.710 2.283 2.217 2.385 . 0 0 "[ . 1 . 2]" 1
451 1 30 ARG HB3 1 30 ARG QD . . 3.700 2.409 2.082 2.909 . 0 0 "[ . 1 . 2]" 1
452 1 30 ARG HG2 1 31 LEU HA . . 5.500 4.477 3.924 5.054 . 0 0 "[ . 1 . 2]" 1
453 1 30 ARG HG2 1 31 LEU MD1 . . 4.070 4.086 3.731 4.284 0.214 5 0 "[ . 1 . 2]" 1
454 1 30 ARG HG2 1 31 LEU MD2 . . 5.020 4.859 4.536 5.099 0.079 11 0 "[ . 1 . 2]" 1
455 1 30 ARG HG3 1 31 LEU H . . 5.290 4.185 3.534 4.602 . 0 0 "[ . 1 . 2]" 1
456 1 30 ARG HG3 1 31 LEU HA . . 5.450 4.128 3.585 4.521 . 0 0 "[ . 1 . 2]" 1
457 1 30 ARG HG3 1 31 LEU MD1 . . 4.550 4.499 4.237 4.761 0.211 16 0 "[ . 1 . 2]" 1
458 1 30 ARG HG3 1 31 LEU MD2 . . 5.500 5.264 4.854 5.514 0.014 1 0 "[ . 1 . 2]" 1
459 1 31 LEU H 1 31 LEU HB3 . . 3.800 3.806 3.785 3.828 0.028 7 0 "[ . 1 . 2]" 1
460 1 31 LEU H 1 31 LEU MD1 . . 4.300 3.388 3.212 3.560 . 0 0 "[ . 1 . 2]" 1
461 1 31 LEU H 1 32 TRP H . . 5.370 4.446 4.416 4.473 . 0 0 "[ . 1 . 2]" 1
462 1 31 LEU HA 1 31 LEU MD1 . . 2.840 2.020 1.948 2.083 . 0 0 "[ . 1 . 2]" 1
463 1 31 LEU HA 1 31 LEU MD2 . . 3.570 3.331 3.236 3.401 . 0 0 "[ . 1 . 2]" 1
464 1 31 LEU HA 1 31 LEU HG . . 3.650 3.679 3.655 3.693 0.043 20 0 "[ . 1 . 2]" 1
465 1 31 LEU HA 1 32 TRP H . . 3.180 2.421 2.377 2.451 . 0 0 "[ . 1 . 2]" 1
466 1 31 LEU HA 1 32 TRP HE3 . . 4.130 2.861 2.522 3.232 . 0 0 "[ . 1 . 2]" 1
467 1 31 LEU HA 1 43 VAL HB . . 5.310 4.482 4.182 4.729 . 0 0 "[ . 1 . 2]" 1
468 1 31 LEU HA 1 45 ASN HA . . 2.780 2.877 2.807 2.961 0.181 9 0 "[ . 1 . 2]" 1
469 1 31 LEU HA 1 45 ASN QB . . 5.340 4.349 3.748 4.781 . 0 0 "[ . 1 . 2]" 1
470 1 31 LEU HB2 1 31 LEU MD1 . . 3.240 3.176 3.165 3.184 . 0 0 "[ . 1 . 2]" 1
471 1 31 LEU HB2 1 31 LEU MD2 . . 2.800 2.208 2.153 2.236 . 0 0 "[ . 1 . 2]" 1
472 1 31 LEU HB2 1 32 TRP H . . 3.420 3.527 3.487 3.558 0.138 15 0 "[ . 1 . 2]" 1
473 1 31 LEU HB2 1 33 LEU HA . . 5.500 5.234 5.042 5.338 . 0 0 "[ . 1 . 2]" 1
474 1 31 LEU HB2 1 33 LEU MD1 . . 5.500 5.162 4.969 5.287 . 0 0 "[ . 1 . 2]" 1
475 1 31 LEU HB2 1 43 VAL HB . . 4.870 3.336 3.103 3.478 . 0 0 "[ . 1 . 2]" 1
476 1 31 LEU HB2 1 43 VAL MG1 . . 4.290 3.022 2.780 3.229 . 0 0 "[ . 1 . 2]" 1
477 1 31 LEU HB2 1 43 VAL MG2 . . 3.880 3.693 3.457 3.832 . 0 0 "[ . 1 . 2]" 1
478 1 31 LEU HB2 1 53 VAL MG1 . . 5.500 5.364 5.121 5.538 0.038 15 0 "[ . 1 . 2]" 1
479 1 31 LEU HB2 1 58 VAL MG1 . . 5.500 4.632 4.075 5.003 . 0 0 "[ . 1 . 2]" 1
480 1 31 LEU HB3 1 31 LEU MD2 . . 3.200 3.151 3.131 3.169 . 0 0 "[ . 1 . 2]" 1
481 1 31 LEU HB3 1 33 LEU HA . . 5.500 5.021 4.838 5.234 . 0 0 "[ . 1 . 2]" 1
482 1 31 LEU HB3 1 33 LEU MD1 . . 5.500 5.389 5.236 5.545 0.045 5 0 "[ . 1 . 2]" 1
483 1 31 LEU HB3 1 34 LEU MD2 . . 5.500 5.363 5.174 5.559 0.059 5 0 "[ . 1 . 2]" 1
484 1 31 LEU HB3 1 43 VAL MG1 . . 4.350 3.100 2.780 3.373 . 0 0 "[ . 1 . 2]" 1
485 1 31 LEU HB3 1 43 VAL MG2 . . 3.230 3.142 2.910 3.302 0.072 14 0 "[ . 1 . 2]" 1
486 1 31 LEU MD1 1 32 TRP H . . 4.640 3.544 3.414 3.646 . 0 0 "[ . 1 . 2]" 1
487 1 31 LEU MD1 1 32 TRP HE3 . . 4.940 3.864 3.613 4.156 . 0 0 "[ . 1 . 2]" 1
488 1 31 LEU MD1 1 43 VAL HB . . 5.500 4.033 3.673 4.446 . 0 0 "[ . 1 . 2]" 1
489 1 31 LEU MD1 1 45 ASN HA . . 2.530 2.090 1.764 2.504 . 0 0 "[ . 1 . 2]" 1
490 1 31 LEU MD1 1 45 ASN HB2 . . 3.820 2.511 2.050 2.733 . 0 0 "[ . 1 . 2]" 1
491 1 31 LEU MD1 1 45 ASN QB . . 3.320 2.267 1.804 2.601 . 0 0 "[ . 1 . 2]" 1
492 1 31 LEU MD1 1 45 ASN HB3 . . 3.820 3.048 1.833 3.873 0.053 10 0 "[ . 1 . 2]" 1
493 1 31 LEU MD2 1 53 VAL MG1 . . 4.340 4.214 4.019 4.367 0.027 7 0 "[ . 1 . 2]" 1
494 1 31 LEU MD2 1 53 VAL MG2 . . 4.080 4.106 4.006 4.153 0.073 1 0 "[ . 1 . 2]" 1
495 1 31 LEU MD2 1 58 VAL MG1 . . 3.610 2.869 2.326 3.215 . 0 0 "[ . 1 . 2]" 1
496 1 31 LEU HG 1 53 VAL MG1 . . 5.440 3.689 3.509 3.962 . 0 0 "[ . 1 . 2]" 1
497 1 31 LEU HG 1 58 VAL HB . . 5.500 5.072 4.321 5.508 0.008 14 0 "[ . 1 . 2]" 1
498 1 32 TRP H 1 32 TRP QB . . 3.120 2.368 2.303 2.416 . 0 0 "[ . 1 . 2]" 1
499 1 32 TRP H 1 32 TRP HE3 . . 5.000 2.327 2.142 2.503 . 0 0 "[ . 1 . 2]" 1
500 1 32 TRP H 1 43 VAL MG1 . . 4.960 4.039 3.744 4.183 . 0 0 "[ . 1 . 2]" 1
501 1 32 TRP H 1 44 ARG H . . 3.400 2.704 2.428 3.010 . 0 0 "[ . 1 . 2]" 1
502 1 32 TRP HA 1 32 TRP QB . . 2.640 2.442 2.420 2.461 . 0 0 "[ . 1 . 2]" 1
503 1 32 TRP HA 1 32 TRP HD1 . . 4.200 3.432 3.284 3.633 . 0 0 "[ . 1 . 2]" 1
504 1 32 TRP HA 1 32 TRP HE3 . . 4.230 4.109 3.898 4.263 0.033 6 0 "[ . 1 . 2]" 1
505 1 32 TRP HA 1 33 LEU H . . 2.700 2.159 2.136 2.185 . 0 0 "[ . 1 . 2]" 1
506 1 32 TRP HA 1 33 LEU HA . . 4.550 4.342 4.323 4.376 . 0 0 "[ . 1 . 2]" 1
507 1 32 TRP HA 1 33 LEU MD1 . . 5.500 5.564 5.545 5.583 0.083 18 0 "[ . 1 . 2]" 1
508 1 32 TRP QB 1 32 TRP HE3 . . 3.350 2.678 2.582 2.782 . 0 0 "[ . 1 . 2]" 1
509 1 32 TRP QB 1 33 LEU H . . 5.120 3.285 3.199 3.391 . 0 0 "[ . 1 . 2]" 1
510 1 32 TRP QB 1 34 LEU MD1 . . 5.500 3.020 2.697 3.342 . 0 0 "[ . 1 . 2]" 1
511 1 32 TRP QB 1 34 LEU MD2 . . 4.660 3.038 2.721 3.291 . 0 0 "[ . 1 . 2]" 1
512 1 32 TRP QB 1 34 LEU HG . . 5.500 5.069 4.722 5.344 . 0 0 "[ . 1 . 2]" 1
513 1 32 TRP QB 1 44 ARG H . . 5.110 2.759 2.384 2.936 . 0 0 "[ . 1 . 2]" 1
514 1 32 TRP QB 1 44 ARG HB2 . . 4.800 3.569 3.185 4.127 . 0 0 "[ . 1 . 2]" 1
515 1 32 TRP QB 1 44 ARG HB3 . . 4.240 2.075 1.740 2.638 . 0 0 "[ . 1 . 2]" 1
516 1 32 TRP HE3 1 44 ARG HB3 . . 5.310 3.716 2.897 4.492 . 0 0 "[ . 1 . 2]" 1
517 1 32 TRP HE3 1 45 ASN HA . . 3.920 2.862 2.375 3.420 . 0 0 "[ . 1 . 2]" 1
518 1 32 TRP HZ3 1 45 ASN HA . . 5.360 3.328 3.023 3.791 . 0 0 "[ . 1 . 2]" 1
519 1 33 LEU H 1 33 LEU HB2 . . 3.230 2.809 2.752 2.878 . 0 0 "[ . 1 . 2]" 1
520 1 33 LEU H 1 33 LEU HB3 . . 3.180 2.493 2.456 2.552 . 0 0 "[ . 1 . 2]" 1
521 1 33 LEU H 1 34 LEU H . . 4.570 4.391 4.321 4.471 . 0 0 "[ . 1 . 2]" 1
522 1 33 LEU H 1 44 ARG H . . 5.140 4.867 4.776 4.992 . 0 0 "[ . 1 . 2]" 1
523 1 33 LEU HA 1 33 LEU MD1 . . 3.330 2.001 1.934 2.066 . 0 0 "[ . 1 . 2]" 1
524 1 33 LEU HA 1 33 LEU MD2 . . 4.360 3.818 3.791 3.841 . 0 0 "[ . 1 . 2]" 1
525 1 33 LEU HA 1 34 LEU H . . 2.720 2.116 2.099 2.136 . 0 0 "[ . 1 . 2]" 1
526 1 33 LEU HA 1 43 VAL HA . . 3.040 2.642 2.532 2.791 . 0 0 "[ . 1 . 2]" 1
527 1 33 LEU HA 1 43 VAL MG1 . . 3.140 1.764 1.735 1.796 . 0 0 "[ . 1 . 2]" 1
528 1 33 LEU HB2 1 33 LEU MD1 . . 3.510 2.410 2.380 2.438 . 0 0 "[ . 1 . 2]" 1
529 1 33 LEU HB2 1 33 LEU MD2 . . 3.400 2.328 2.305 2.347 . 0 0 "[ . 1 . 2]" 1
530 1 33 LEU HB2 1 34 LEU MD1 . . 5.500 5.541 5.508 5.574 0.074 3 0 "[ . 1 . 2]" 1
531 1 33 LEU HB2 1 43 VAL MG1 . . 4.340 2.733 2.660 2.853 . 0 0 "[ . 1 . 2]" 1
532 1 33 LEU HB3 1 33 LEU MD2 . . 3.270 2.363 2.325 2.397 . 0 0 "[ . 1 . 2]" 1
533 1 33 LEU HB3 1 43 VAL MG1 . . 4.940 3.942 3.876 4.030 . 0 0 "[ . 1 . 2]" 1
534 1 33 LEU MD1 1 34 LEU H . . 3.800 2.258 2.077 2.467 . 0 0 "[ . 1 . 2]" 1
535 1 33 LEU MD1 1 34 LEU MD2 . . 3.730 3.671 3.535 3.758 0.028 15 0 "[ . 1 . 2]" 1
536 1 33 LEU MD1 1 35 ASP H . . 4.740 2.605 2.285 3.081 . 0 0 "[ . 1 . 2]" 1
537 1 33 LEU MD1 1 36 ASP HB2 . . 5.500 3.538 2.721 4.424 . 0 0 "[ . 1 . 2]" 1
538 1 33 LEU MD1 1 36 ASP QB . . 4.800 2.427 1.882 3.296 . 0 0 "[ . 1 . 2]" 1
539 1 33 LEU MD1 1 36 ASP HB3 . . 5.500 2.733 1.891 4.475 . 0 0 "[ . 1 . 2]" 1
540 1 33 LEU MD1 1 41 TRP HB2 . . 5.500 3.457 2.968 3.745 . 0 0 "[ . 1 . 2]" 1
541 1 33 LEU MD1 1 41 TRP HB3 . . 3.770 2.236 2.029 2.526 . 0 0 "[ . 1 . 2]" 1
542 1 33 LEU MD1 1 41 TRP HD1 . . 5.130 4.327 3.385 5.058 . 0 0 "[ . 1 . 2]" 1
543 1 33 LEU MD1 1 43 VAL MG1 . . 2.960 1.982 1.924 2.036 . 0 0 "[ . 1 . 2]" 1
544 1 33 LEU MD1 1 43 VAL MG2 . . 4.420 3.905 3.816 4.001 . 0 0 "[ . 1 . 2]" 1
545 1 33 LEU MD1 1 53 VAL MG2 . . 4.400 4.071 3.931 4.211 . 0 0 "[ . 1 . 2]" 1
546 1 33 LEU MD2 1 36 ASP HA . . 5.110 4.137 3.458 4.551 . 0 0 "[ . 1 . 2]" 1
547 1 33 LEU MD2 1 36 ASP QB . . 3.580 2.098 1.747 2.818 . 0 0 "[ . 1 . 2]" 1
548 1 33 LEU MD2 1 41 TRP HH2 . . 5.500 4.859 4.104 5.406 . 0 0 "[ . 1 . 2]" 1
549 1 33 LEU MD2 1 41 TRP HZ3 . . 4.560 4.061 2.900 4.606 0.046 16 0 "[ . 1 . 2]" 1
550 1 33 LEU MD2 1 43 VAL MG1 . . 3.500 3.607 3.537 3.687 0.187 4 0 "[ . 1 . 2]" 1
551 1 33 LEU MD2 1 60 ARG QB . . 5.340 3.467 2.200 4.492 . 0 0 "[ . 1 . 2]" 1
552 1 33 LEU MD2 1 60 ARG QD . . 5.500 3.219 2.097 3.985 . 0 0 "[ . 1 . 2]" 1
553 1 33 LEU MD2 1 60 ARG QG . . 5.340 2.662 1.843 4.005 . 0 0 "[ . 1 . 2]" 1
554 1 33 LEU HG 1 34 LEU MD1 . . 5.500 5.050 4.919 5.149 . 0 0 "[ . 1 . 2]" 1
555 1 33 LEU HG 1 35 ASP HA . . 4.870 4.391 3.930 4.916 0.046 7 0 "[ . 1 . 2]" 1
556 1 33 LEU HG 1 43 VAL MG1 . . 4.070 4.039 3.980 4.085 0.015 10 0 "[ . 1 . 2]" 1
557 1 34 LEU H 1 34 LEU QB . . 3.300 2.514 2.471 2.571 . 0 0 "[ . 1 . 2]" 1
558 1 34 LEU H 1 34 LEU MD2 . . 5.100 2.037 1.892 2.147 . 0 0 "[ . 1 . 2]" 1
559 1 34 LEU H 1 34 LEU HG . . 4.240 4.188 4.102 4.257 0.017 1 0 "[ . 1 . 2]" 1
560 1 34 LEU H 1 35 ASP H . . 2.760 2.196 2.055 2.397 . 0 0 "[ . 1 . 2]" 1
561 1 34 LEU H 1 43 VAL HA . . 3.400 2.756 2.624 2.908 . 0 0 "[ . 1 . 2]" 1
562 1 34 LEU H 1 43 VAL MG1 . . 4.130 3.186 3.091 3.275 . 0 0 "[ . 1 . 2]" 1
563 1 34 LEU HA 1 34 LEU MD2 . . 3.690 3.297 3.254 3.351 . 0 0 "[ . 1 . 2]" 1
564 1 34 LEU HA 1 35 ASP HA . . 5.410 4.556 4.517 4.601 . 0 0 "[ . 1 . 2]" 1
565 1 34 LEU QB 1 34 LEU MD1 . . 3.080 2.461 2.448 2.476 . 0 0 "[ . 1 . 2]" 1
566 1 34 LEU QB 1 34 LEU MD2 . . 3.080 2.199 2.180 2.220 . 0 0 "[ . 1 . 2]" 1
567 1 34 LEU QB 1 34 LEU HG . . 2.520 2.154 2.149 2.159 . 0 0 "[ . 1 . 2]" 1
568 1 34 LEU QB 1 35 ASP H . . 4.160 2.514 2.139 2.914 . 0 0 "[ . 1 . 2]" 1
569 1 34 LEU QB 1 42 ARG QD . . 5.170 3.069 1.850 4.251 . 0 0 "[ . 1 . 2]" 1
570 1 34 LEU MD1 1 42 ARG QG . . 5.340 5.050 4.188 5.438 0.098 10 0 "[ . 1 . 2]" 1
571 1 34 LEU MD1 1 43 VAL HA . . 5.500 4.356 4.190 4.525 . 0 0 "[ . 1 . 2]" 1
572 1 34 LEU MD1 1 44 ARG QD . . 5.340 4.614 4.070 5.432 0.092 14 0 "[ . 1 . 2]" 1
573 1 34 LEU MD1 1 50 THR MG . . 4.890 4.631 4.268 4.904 0.014 5 0 "[ . 1 . 2]" 1
574 1 34 LEU MD2 1 42 ARG QG . . 5.340 2.778 1.942 3.162 . 0 0 "[ . 1 . 2]" 1
575 1 34 LEU MD2 1 43 VAL HA . . 5.250 2.172 2.072 2.285 . 0 0 "[ . 1 . 2]" 1
576 1 34 LEU MD2 1 43 VAL MG1 . . 3.420 3.460 3.411 3.497 0.077 19 0 "[ . 1 . 2]" 1
577 1 34 LEU MD2 1 44 ARG HB2 . . 3.540 2.417 2.036 2.791 . 0 0 "[ . 1 . 2]" 1
578 1 34 LEU MD2 1 44 ARG HB3 . . 5.500 2.852 2.464 3.201 . 0 0 "[ . 1 . 2]" 1
579 1 34 LEU MD2 1 44 ARG QD . . 5.340 4.085 3.480 4.860 . 0 0 "[ . 1 . 2]" 1
580 1 34 LEU MD2 1 44 ARG HG2 . . 5.500 4.786 4.293 5.076 . 0 0 "[ . 1 . 2]" 1
581 1 34 LEU MD2 1 44 ARG HG3 . . 5.230 4.447 3.728 4.849 . 0 0 "[ . 1 . 2]" 1
582 1 34 LEU MD2 1 50 THR MG . . 3.820 2.693 2.375 3.031 . 0 0 "[ . 1 . 2]" 1
583 1 34 LEU HG 1 43 VAL HA . . 5.060 4.976 4.863 5.073 0.013 7 0 "[ . 1 . 2]" 1
584 1 35 ASP H 1 35 ASP QB . . 3.470 2.650 2.429 2.784 . 0 0 "[ . 1 . 2]" 1
585 1 35 ASP H 1 42 ARG H . . 4.220 3.349 3.107 3.567 . 0 0 "[ . 1 . 2]" 1
586 1 35 ASP H 1 42 ARG HB2 . . 5.380 4.334 3.761 4.955 . 0 0 "[ . 1 . 2]" 1
587 1 35 ASP H 1 42 ARG HB3 . . 3.560 2.685 2.024 3.277 . 0 0 "[ . 1 . 2]" 1
588 1 35 ASP H 1 43 VAL HA . . 5.200 4.339 4.096 4.529 . 0 0 "[ . 1 . 2]" 1
589 1 35 ASP HA 1 36 ASP H . . 2.610 2.156 2.096 2.263 . 0 0 "[ . 1 . 2]" 1
590 1 35 ASP HA 1 36 ASP QB . . 5.050 4.311 3.946 4.549 . 0 0 "[ . 1 . 2]" 1
591 1 35 ASP QB 1 42 ARG H . . 3.990 3.115 2.208 3.955 . 0 0 "[ . 1 . 2]" 1
592 1 35 ASP QB 1 42 ARG HB2 . . 4.860 2.916 2.404 3.549 . 0 0 "[ . 1 . 2]" 1
593 1 35 ASP QB 1 42 ARG HB3 . . 3.810 2.018 1.714 2.787 . 0 0 "[ . 1 . 2]" 1
594 1 35 ASP QB 1 42 ARG QD . . 4.520 3.071 1.807 4.586 0.066 14 0 "[ . 1 . 2]" 1
595 1 36 ASP H 1 37 SER H . . 3.300 2.930 2.101 3.472 0.172 13 0 "[ . 1 . 2]" 1
596 1 36 ASP HA 1 36 ASP HB2 . . 2.930 2.437 2.361 2.497 . 0 0 "[ . 1 . 2]" 1
597 1 36 ASP HA 1 36 ASP QB . . 2.560 2.212 2.179 2.369 . 0 0 "[ . 1 . 2]" 1
598 1 36 ASP HA 1 36 ASP HB3 . . 2.930 2.576 2.414 3.020 0.090 7 0 "[ . 1 . 2]" 1
599 1 36 ASP HA 1 37 SER H . . 3.400 2.583 2.184 3.093 . 0 0 "[ . 1 . 2]" 1
600 1 36 ASP HA 1 41 TRP HD1 . . 4.010 2.596 2.058 3.699 . 0 0 "[ . 1 . 2]" 1
601 1 36 ASP QB 1 41 TRP HD1 . . 4.580 3.534 2.737 4.051 . 0 0 "[ . 1 . 2]" 1
602 1 36 ASP HB2 1 41 TRP HD1 . . 5.220 3.698 2.834 4.312 . 0 0 "[ . 1 . 2]" 1
603 1 36 ASP HB2 1 41 TRP HZ2 . . 5.500 4.254 3.611 4.866 . 0 0 "[ . 1 . 2]" 1
604 1 36 ASP HB3 1 41 TRP HD1 . . 5.220 4.531 3.616 5.255 0.035 7 0 "[ . 1 . 2]" 1
605 1 36 ASP HB3 1 41 TRP HZ2 . . 5.500 5.462 4.888 5.578 0.078 9 0 "[ . 1 . 2]" 1
606 1 37 SER H 1 37 SER QB . . 2.940 2.601 2.200 2.982 0.042 11 0 "[ . 1 . 2]" 1
607 1 37 SER HA 1 37 SER QB . . 2.460 2.254 2.159 2.400 . 0 0 "[ . 1 . 2]" 1
608 1 37 SER QB 1 38 LYS H . . 4.530 3.101 2.380 3.885 . 0 0 "[ . 1 . 2]" 1
609 1 38 LYS QE 1 39 SER HB2 . . 5.500 4.657 3.368 5.548 0.048 8 0 "[ . 1 . 2]" 1
610 1 38 LYS QE 1 39 SER HB3 . . 5.500 4.884 3.596 5.614 0.114 19 0 "[ . 1 . 2]" 1
611 1 39 SER HA 1 40 TRP QB . . 5.340 4.905 4.274 5.429 0.089 17 0 "[ . 1 . 2]" 1
612 1 40 TRP H 1 40 TRP QB . . 3.670 2.799 2.104 3.388 . 0 0 "[ . 1 . 2]" 1
613 1 40 TRP HA 1 40 TRP HE3 . . 5.500 4.387 2.780 5.217 . 0 0 "[ . 1 . 2]" 1
614 1 40 TRP HA 1 41 TRP H . . 2.990 2.224 2.120 2.662 . 0 0 "[ . 1 . 2]" 1
615 1 40 TRP HA 1 54 PRO HA . . 3.580 3.472 3.039 3.708 0.128 5 0 "[ . 1 . 2]" 1
616 1 40 TRP HA 1 55 SER H . . 4.490 3.461 2.750 4.356 . 0 0 "[ . 1 . 2]" 1
617 1 40 TRP QB 1 40 TRP HE3 . . 3.260 2.464 2.366 2.679 . 0 0 "[ . 1 . 2]" 1
618 1 40 TRP QB 1 52 PHE HB3 . . 3.480 2.102 1.689 2.904 . 0 0 "[ . 1 . 2]" 1
619 1 40 TRP QB 1 52 PHE QD . . 4.410 2.708 2.112 3.200 . 0 0 "[ . 1 . 2]" 1
620 1 40 TRP HD1 1 54 PRO HA . . 5.500 3.843 1.910 5.528 0.028 2 0 "[ . 1 . 2]" 1
621 1 40 TRP HE3 1 52 PHE HA . . 5.500 4.699 3.922 5.502 0.002 19 0 "[ . 1 . 2]" 1
622 1 40 TRP HE3 1 52 PHE HB2 . . 3.460 2.988 1.849 3.468 0.008 7 0 "[ . 1 . 2]" 1
623 1 40 TRP HE3 1 52 PHE HB3 . . 3.710 2.600 2.031 3.199 . 0 0 "[ . 1 . 2]" 1
624 1 41 TRP H 1 41 TRP HB2 . . 3.150 2.430 2.269 2.537 . 0 0 "[ . 1 . 2]" 1
625 1 41 TRP H 1 53 VAL H . . 3.840 2.929 2.529 3.476 . 0 0 "[ . 1 . 2]" 1
626 1 41 TRP HA 1 41 TRP HB3 . . 2.820 2.526 2.446 2.653 . 0 0 "[ . 1 . 2]" 1
627 1 41 TRP HA 1 41 TRP HD1 . . 2.640 2.191 1.887 2.672 0.032 12 0 "[ . 1 . 2]" 1
628 1 41 TRP HA 1 42 ARG H . . 2.690 2.203 2.120 2.331 . 0 0 "[ . 1 . 2]" 1
629 1 41 TRP HB2 1 41 TRP HD1 . . 3.910 3.713 3.411 3.837 . 0 0 "[ . 1 . 2]" 1
630 1 41 TRP HB2 1 42 ARG HA . . 5.370 5.084 4.813 5.385 0.015 7 0 "[ . 1 . 2]" 1
631 1 41 TRP HB2 1 43 VAL MG1 . . 5.500 3.302 2.894 3.649 . 0 0 "[ . 1 . 2]" 1
632 1 41 TRP HB3 1 41 TRP HD1 . . 3.910 3.470 3.248 3.776 . 0 0 "[ . 1 . 2]" 1
633 1 41 TRP HB3 1 42 ARG H . . 3.770 2.939 2.624 3.391 . 0 0 "[ . 1 . 2]" 1
634 1 41 TRP HB3 1 43 VAL MG1 . . 5.500 2.793 2.302 3.090 . 0 0 "[ . 1 . 2]" 1
635 1 41 TRP HD1 1 53 VAL MG2 . . 5.500 5.273 4.559 5.552 0.052 9 0 "[ . 1 . 2]" 1
636 1 42 ARG H 1 42 ARG HB2 . . 3.690 2.758 2.600 2.936 . 0 0 "[ . 1 . 2]" 1
637 1 42 ARG H 1 42 ARG HB3 . . 3.470 2.511 2.313 2.673 . 0 0 "[ . 1 . 2]" 1
638 1 42 ARG H 1 52 PHE QE . . 4.760 4.169 3.482 4.661 . 0 0 "[ . 1 . 2]" 1
639 1 42 ARG HA 1 42 ARG QD . . 4.100 3.951 2.299 4.229 0.129 13 0 "[ . 1 . 2]" 1
640 1 42 ARG HA 1 42 ARG HG2 . . 3.920 3.078 2.373 3.861 . 0 0 "[ . 1 . 2]" 1
641 1 42 ARG HA 1 42 ARG HG3 . . 3.920 2.655 2.440 3.255 . 0 0 "[ . 1 . 2]" 1
642 1 42 ARG HA 1 43 VAL H . . 2.740 2.133 2.103 2.164 . 0 0 "[ . 1 . 2]" 1
643 1 42 ARG HA 1 52 PHE QE . . 5.340 4.121 3.370 4.588 . 0 0 "[ . 1 . 2]" 1
644 1 42 ARG HB2 1 43 VAL MG2 . . 5.500 5.568 5.524 5.608 0.108 11 0 "[ . 1 . 2]" 1
645 1 42 ARG HB2 1 52 PHE QE . . 3.720 2.564 2.128 3.002 . 0 0 "[ . 1 . 2]" 1
646 1 42 ARG HB3 1 43 VAL MG1 . . 5.500 4.832 4.697 4.959 . 0 0 "[ . 1 . 2]" 1
647 1 42 ARG HB3 1 43 VAL MG2 . . 5.500 5.477 5.388 5.556 0.056 19 0 "[ . 1 . 2]" 1
648 1 42 ARG HB3 1 52 PHE QE . . 5.170 4.055 3.462 4.462 . 0 0 "[ . 1 . 2]" 1
649 1 42 ARG QG 1 43 VAL H . . 5.160 3.169 2.960 3.365 . 0 0 "[ . 1 . 2]" 1
650 1 43 VAL H 1 43 VAL MG2 . . 2.850 2.078 1.978 2.161 . 0 0 "[ . 1 . 2]" 1
651 1 43 VAL H 1 51 GLY H . . 3.910 3.177 2.938 3.461 . 0 0 "[ . 1 . 2]" 1
652 1 43 VAL H 1 53 VAL MG2 . . 5.130 3.640 3.427 3.903 . 0 0 "[ . 1 . 2]" 1
653 1 43 VAL HA 1 43 VAL HB . . 2.670 2.544 2.529 2.558 . 0 0 "[ . 1 . 2]" 1
654 1 43 VAL HA 1 43 VAL MG1 . . 2.850 2.270 2.242 2.293 . 0 0 "[ . 1 . 2]" 1
655 1 43 VAL HA 1 44 ARG H . . 2.730 2.333 2.246 2.424 . 0 0 "[ . 1 . 2]" 1
656 1 43 VAL HA 1 44 ARG HB2 . . 5.380 4.365 4.139 4.594 . 0 0 "[ . 1 . 2]" 1
657 1 43 VAL HB 1 44 ARG H . . 2.910 2.345 2.123 2.571 . 0 0 "[ . 1 . 2]" 1
658 1 43 VAL HB 1 44 ARG HA . . 5.300 4.209 4.095 4.334 . 0 0 "[ . 1 . 2]" 1
659 1 43 VAL HB 1 45 ASN H . . 5.010 5.071 5.017 5.125 0.115 10 0 "[ . 1 . 2]" 1
660 1 43 VAL MG1 1 44 ARG H . . 4.230 3.376 3.284 3.454 . 0 0 "[ . 1 . 2]" 1
661 1 43 VAL MG1 1 44 ARG HB3 . . 5.500 5.533 5.423 5.626 0.126 5 0 "[ . 1 . 2]" 1
662 1 43 VAL MG1 1 53 VAL MG1 . . 4.110 3.926 3.772 4.140 0.030 10 0 "[ . 1 . 2]" 1
663 1 43 VAL MG2 1 44 ARG H . . 4.700 3.606 3.408 3.764 . 0 0 "[ . 1 . 2]" 1
664 1 43 VAL MG2 1 44 ARG HB2 . . 5.500 5.384 5.230 5.534 0.034 12 0 "[ . 1 . 2]" 1
665 1 43 VAL MG2 1 51 GLY H . . 4.670 3.838 3.617 4.095 . 0 0 "[ . 1 . 2]" 1
666 1 43 VAL MG2 1 53 VAL H . . 4.950 3.391 3.105 3.691 . 0 0 "[ . 1 . 2]" 1
667 1 43 VAL MG2 1 53 VAL HB . . 5.500 3.831 3.766 3.924 . 0 0 "[ . 1 . 2]" 1
668 1 43 VAL MG2 1 53 VAL MG1 . . 2.760 2.171 2.051 2.372 . 0 0 "[ . 1 . 2]" 1
669 1 43 VAL MG2 1 53 VAL MG2 . . 2.640 1.885 1.768 1.996 . 0 0 "[ . 1 . 2]" 1
670 1 44 ARG HA 1 44 ARG HG2 . . 2.950 2.935 2.392 3.174 0.224 18 0 "[ . 1 . 2]" 1
671 1 44 ARG HA 1 45 ASN H . . 2.540 2.176 2.123 2.229 . 0 0 "[ . 1 . 2]" 1
672 1 44 ARG HA 1 50 THR HA . . 2.950 2.482 2.239 2.793 . 0 0 "[ . 1 . 2]" 1
673 1 44 ARG HA 1 50 THR MG . . 4.920 2.974 2.632 3.345 . 0 0 "[ . 1 . 2]" 1
674 1 44 ARG HA 1 51 GLY H . . 5.280 4.012 3.788 4.393 . 0 0 "[ . 1 . 2]" 1
675 1 44 ARG HB2 1 44 ARG QD . . 3.450 2.859 2.396 3.552 0.102 16 0 "[ . 1 . 2]" 1
676 1 44 ARG HB2 1 44 ARG HG3 . . 2.400 2.382 2.254 2.455 0.055 18 0 "[ . 1 . 2]" 1
677 1 44 ARG HB2 1 50 THR MG . . 5.500 2.654 2.224 3.321 . 0 0 "[ . 1 . 2]" 1
678 1 44 ARG QD 1 48 ASN HB2 . . 5.340 5.121 3.494 5.535 0.195 18 0 "[ . 1 . 2]" 1
679 1 44 ARG HG2 1 48 ASN HA . . 3.910 3.180 2.668 3.932 0.022 5 0 "[ . 1 . 2]" 1
680 1 44 ARG HG2 1 49 LYS H . . 5.500 4.205 3.665 4.914 . 0 0 "[ . 1 . 2]" 1
681 1 44 ARG HG3 1 49 LYS HA . . 5.410 4.572 3.970 5.543 0.133 16 0 "[ . 1 . 2]" 1
682 1 45 ASN H 1 48 ASN H . . 5.170 4.213 3.856 4.526 . 0 0 "[ . 1 . 2]" 1
683 1 45 ASN H 1 49 LYS H . . 4.750 3.599 3.129 4.485 . 0 0 "[ . 1 . 2]" 1
684 1 45 ASN H 1 50 THR HA . . 4.610 3.766 3.423 4.193 . 0 0 "[ . 1 . 2]" 1
685 1 45 ASN HA 1 45 ASN HB2 . . 3.030 2.493 2.404 2.632 . 0 0 "[ . 1 . 2]" 1
686 1 45 ASN HA 1 45 ASN QB . . 2.580 2.303 2.176 2.479 . 0 0 "[ . 1 . 2]" 1
687 1 45 ASN HA 1 45 ASN HB3 . . 3.030 2.766 2.395 3.040 0.010 19 0 "[ . 1 . 2]" 1
688 1 45 ASN HA 1 46 SER H . . 3.310 2.575 2.473 2.650 . 0 0 "[ . 1 . 2]" 1
689 1 45 ASN QB 1 46 SER H . . 3.020 2.595 1.880 3.184 0.164 10 0 "[ . 1 . 2]" 1
690 1 46 SER H 1 46 SER QB . . 3.370 2.547 2.236 2.763 . 0 0 "[ . 1 . 2]" 1
691 1 46 SER H 1 47 MET H . . 3.990 2.598 2.533 2.655 . 0 0 "[ . 1 . 2]" 1
692 1 46 SER HA 1 46 SER QB . . 2.600 2.271 2.170 2.398 . 0 0 "[ . 1 . 2]" 1
693 1 46 SER HA 1 48 ASN H . . 3.760 3.265 3.100 3.415 . 0 0 "[ . 1 . 2]" 1
694 1 46 SER QB 1 47 MET H . . 4.430 3.376 2.833 3.767 . 0 0 "[ . 1 . 2]" 1
695 1 47 MET H 1 47 MET QB . . 2.940 2.277 2.236 2.326 . 0 0 "[ . 1 . 2]" 1
696 1 47 MET H 1 47 MET HG2 . . 5.140 4.601 4.470 4.692 . 0 0 "[ . 1 . 2]" 1
697 1 47 MET H 1 47 MET HG3 . . 5.140 4.481 4.424 4.533 . 0 0 "[ . 1 . 2]" 1
698 1 47 MET H 1 48 ASN H . . 2.700 2.530 2.362 2.711 0.011 19 0 "[ . 1 . 2]" 1
699 1 47 MET H 1 48 ASN QD . . 5.340 4.752 4.494 5.037 . 0 0 "[ . 1 . 2]" 1
700 1 47 MET H 1 49 LYS H . . 4.710 3.701 3.365 4.021 . 0 0 "[ . 1 . 2]" 1
701 1 47 MET HA 1 47 MET QG . . 3.760 2.815 2.388 3.020 . 0 0 "[ . 1 . 2]" 1
702 1 47 MET HA 1 48 ASN H . . 3.440 3.193 3.024 3.299 . 0 0 "[ . 1 . 2]" 1
703 1 47 MET HA 1 48 ASN HD21 . . 3.750 3.031 2.789 3.460 . 0 0 "[ . 1 . 2]" 1
704 1 47 MET HA 1 48 ASN QD . . 3.170 2.913 2.726 3.197 0.027 17 0 "[ . 1 . 2]" 1
705 1 47 MET HA 1 48 ASN HD22 . . 3.750 3.824 3.761 3.877 0.127 16 0 "[ . 1 . 2]" 1
706 1 47 MET HA 1 49 LYS H . . 5.130 4.379 4.090 4.657 . 0 0 "[ . 1 . 2]" 1
707 1 47 MET QB 1 47 MET QG . . 2.380 2.015 1.980 2.086 . 0 0 "[ . 1 . 2]" 1
708 1 48 ASN H 1 48 ASN HA . . 2.620 2.261 2.245 2.276 . 0 0 "[ . 1 . 2]" 1
709 1 48 ASN H 1 49 LYS H . . 2.970 2.674 2.503 2.900 . 0 0 "[ . 1 . 2]" 1
710 1 48 ASN HA 1 48 ASN HB3 . . 2.550 2.433 2.358 2.484 . 0 0 "[ . 1 . 2]" 1
711 1 48 ASN HA 1 49 LYS QG . . 5.340 4.994 4.743 5.509 0.169 10 0 "[ . 1 . 2]" 1
712 1 48 ASN HB2 1 49 LYS QE . . 5.080 4.654 3.942 5.284 0.204 3 0 "[ . 1 . 2]" 1
713 1 49 LYS H 1 49 LYS HB2 . . 3.070 2.490 2.366 2.650 . 0 0 "[ . 1 . 2]" 1
714 1 49 LYS H 1 49 LYS HB3 . . 3.610 3.635 3.579 3.706 0.096 19 0 "[ . 1 . 2]" 1
715 1 49 LYS H 1 50 THR H . . 4.670 4.552 4.472 4.622 . 0 0 "[ . 1 . 2]" 1
716 1 49 LYS HA 1 49 LYS QD . . 4.430 2.382 1.733 4.098 . 0 0 "[ . 1 . 2]" 1
717 1 49 LYS HA 1 50 THR H . . 3.080 2.436 2.348 2.530 . 0 0 "[ . 1 . 2]" 1
718 1 49 LYS HB2 1 49 LYS QG . . 2.500 2.201 2.152 2.475 . 0 0 "[ . 1 . 2]" 1
719 1 50 THR H 1 50 THR HB . . 4.070 2.975 2.932 3.022 . 0 0 "[ . 1 . 2]" 1
720 1 50 THR H 1 50 THR MG . . 4.220 3.977 3.955 4.004 . 0 0 "[ . 1 . 2]" 1
721 1 50 THR HA 1 50 THR MG . . 3.070 2.258 2.218 2.291 . 0 0 "[ . 1 . 2]" 1
722 1 50 THR HA 1 51 GLY H . . 3.040 2.287 2.229 2.338 . 0 0 "[ . 1 . 2]" 1
723 1 50 THR HB 1 51 GLY H . . 3.420 3.546 3.513 3.600 0.180 7 0 "[ . 1 . 2]" 1
724 1 50 THR MG 1 51 GLY H . . 4.880 1.996 1.932 2.057 . 0 0 "[ . 1 . 2]" 1
725 1 51 GLY H 1 52 PHE HA . . 5.130 4.607 4.516 4.664 . 0 0 "[ . 1 . 2]" 1
726 1 51 GLY QA 1 52 PHE H . . 2.780 2.246 2.156 2.292 . 0 0 "[ . 1 . 2]" 1
727 1 51 GLY QA 1 52 PHE QD . . 4.750 3.532 3.220 4.120 . 0 0 "[ . 1 . 2]" 1
728 1 51 GLY HA2 1 52 PHE H . . 3.390 2.781 2.660 2.975 . 0 0 "[ . 1 . 2]" 1
729 1 51 GLY HA3 1 52 PHE H . . 3.390 2.380 2.213 2.490 . 0 0 "[ . 1 . 2]" 1
730 1 52 PHE H 1 52 PHE HB2 . . 3.110 2.501 2.393 2.631 . 0 0 "[ . 1 . 2]" 1
731 1 52 PHE H 1 52 PHE QD . . 5.270 2.923 2.732 3.302 . 0 0 "[ . 1 . 2]" 1
732 1 52 PHE H 1 53 VAL H . . 4.350 4.434 4.374 4.493 0.143 2 0 "[ . 1 . 2]" 1
733 1 52 PHE HA 1 52 PHE QD . . 3.600 2.782 1.932 2.997 . 0 0 "[ . 1 . 2]" 1
734 1 52 PHE HA 1 53 VAL H . . 2.950 2.182 2.110 2.260 . 0 0 "[ . 1 . 2]" 1
735 1 52 PHE HB2 1 53 VAL HA . . 5.060 4.862 4.683 4.987 . 0 0 "[ . 1 . 2]" 1
736 1 52 PHE HB3 1 53 VAL H . . 3.840 2.999 2.691 3.327 . 0 0 "[ . 1 . 2]" 1
737 1 53 VAL H 1 53 VAL MG2 . . 3.540 2.117 1.998 2.242 . 0 0 "[ . 1 . 2]" 1
738 1 53 VAL HA 1 53 VAL MG1 . . 3.060 2.307 2.266 2.344 . 0 0 "[ . 1 . 2]" 1
739 1 53 VAL HA 1 54 PRO HD2 . . 2.940 2.267 2.035 2.480 . 0 0 "[ . 1 . 2]" 1
740 1 53 VAL HA 1 54 PRO QD . . 2.460 2.054 1.952 2.168 . 0 0 "[ . 1 . 2]" 1
741 1 53 VAL HA 1 54 PRO HD3 . . 2.940 2.376 2.228 2.593 . 0 0 "[ . 1 . 2]" 1
742 1 53 VAL HA 1 58 VAL MG2 . . 5.500 4.842 4.558 5.004 . 0 0 "[ . 1 . 2]" 1
743 1 53 VAL HB 1 54 PRO QD . . 3.030 2.084 1.835 2.303 . 0 0 "[ . 1 . 2]" 1
744 1 53 VAL HB 1 58 VAL MG1 . . 3.770 2.313 2.036 2.798 . 0 0 "[ . 1 . 2]" 1
745 1 53 VAL MG1 1 58 VAL HB . . 5.500 4.947 4.683 5.169 . 0 0 "[ . 1 . 2]" 1
746 1 54 PRO HA 1 55 SER H . . 3.040 2.145 2.125 2.167 . 0 0 "[ . 1 . 2]" 1
747 1 54 PRO QB 1 57 TYR H . . 4.830 2.860 2.630 3.180 . 0 0 "[ . 1 . 2]" 1
748 1 54 PRO QB 1 57 TYR QD . . 4.470 2.016 1.805 2.358 . 0 0 "[ . 1 . 2]" 1
749 1 54 PRO QB 1 58 VAL MG1 . . 5.340 4.654 4.364 4.982 . 0 0 "[ . 1 . 2]" 1
750 1 54 PRO HG2 1 57 TYR HA . . 5.000 4.762 4.491 5.030 0.030 15 0 "[ . 1 . 2]" 1
751 1 55 SER H 1 57 TYR H . . 4.250 4.268 4.138 4.311 0.061 7 0 "[ . 1 . 2]" 1
752 1 56 ASN HA 1 56 ASN QB . . 2.620 2.379 2.178 2.490 . 0 0 "[ . 1 . 2]" 1
753 1 56 ASN HA 1 57 TYR H . . 3.600 3.408 3.279 3.511 . 0 0 "[ . 1 . 2]" 1
754 1 56 ASN HA 1 57 TYR QD . . 5.400 4.831 4.518 5.124 . 0 0 "[ . 1 . 2]" 1
755 1 56 ASN QB 1 57 TYR QD . . 4.030 2.785 2.196 4.045 0.015 9 0 "[ . 1 . 2]" 1
756 1 57 TYR H 1 57 TYR HB2 . . 2.970 2.449 2.365 2.508 . 0 0 "[ . 1 . 2]" 1
757 1 57 TYR H 1 57 TYR HB3 . . 3.600 3.656 3.609 3.688 0.088 1 0 "[ . 1 . 2]" 1
758 1 57 TYR H 1 57 TYR QD . . 5.090 2.688 2.437 2.958 . 0 0 "[ . 1 . 2]" 1
759 1 57 TYR H 1 58 VAL H . . 3.050 2.055 1.919 2.164 . 0 0 "[ . 1 . 2]" 1
760 1 57 TYR H 1 58 VAL MG1 . . 5.450 3.784 3.498 4.114 . 0 0 "[ . 1 . 2]" 1
761 1 57 TYR H 1 58 VAL MG2 . . 5.500 3.359 3.213 3.603 . 0 0 "[ . 1 . 2]" 1
762 1 57 TYR HA 1 57 TYR QD . . 4.420 3.045 2.904 3.130 . 0 0 "[ . 1 . 2]" 1
763 1 58 VAL H 1 58 VAL MG2 . . 2.990 2.154 2.051 2.263 . 0 0 "[ . 1 . 2]" 1
764 1 58 VAL H 1 59 GLU H . . 5.160 4.490 4.437 4.554 . 0 0 "[ . 1 . 2]" 1
765 1 58 VAL HA 1 58 VAL HB . . 2.780 2.429 2.401 2.454 . 0 0 "[ . 1 . 2]" 1
766 1 58 VAL HA 1 58 VAL MG1 . . 2.810 2.397 2.343 2.459 . 0 0 "[ . 1 . 2]" 1
767 1 58 VAL HA 1 59 GLU H . . 2.750 2.364 2.264 2.510 . 0 0 "[ . 1 . 2]" 1
768 1 58 VAL HB 1 59 GLU H . . 2.930 2.560 2.212 2.882 . 0 0 "[ . 1 . 2]" 1
769 1 58 VAL HB 1 59 GLU QG . . 4.830 4.887 4.549 4.957 0.127 20 0 "[ . 1 . 2]" 1
770 1 58 VAL MG2 1 59 GLU H . . 3.560 3.460 3.156 3.602 0.042 10 0 "[ . 1 . 2]" 1
771 1 58 VAL MG2 1 59 GLU QG . . 5.500 4.530 4.090 4.807 . 0 0 "[ . 1 . 2]" 1
772 1 59 GLU H 1 59 GLU QB . . 3.070 2.679 2.568 3.163 0.093 12 0 "[ . 1 . 2]" 1
773 1 59 GLU H 1 59 GLU QG . . 4.870 3.021 2.467 3.217 . 0 0 "[ . 1 . 2]" 1
774 1 59 GLU HA 1 59 GLU QB . . 2.460 2.368 2.172 2.423 . 0 0 "[ . 1 . 2]" 1
775 1 59 GLU HA 1 59 GLU QG . . 3.040 2.655 2.363 3.295 0.255 12 0 "[ . 1 . 2]" 1
776 1 59 GLU HA 1 60 ARG H . . 3.100 2.365 2.196 2.488 . 0 0 "[ . 1 . 2]" 1
777 1 59 GLU HA 1 60 ARG QG . . 5.340 3.840 3.464 4.255 . 0 0 "[ . 1 . 2]" 1
778 1 59 GLU HB2 1 59 GLU QG . . 2.610 2.210 2.140 2.348 . 0 0 "[ . 1 . 2]" 1
779 1 59 GLU HB3 1 59 GLU QG . . 2.610 2.401 2.309 2.444 . 0 0 "[ . 1 . 2]" 1
780 1 60 ARG H 1 60 ARG QB . . 3.690 2.563 2.301 3.355 . 0 0 "[ . 1 . 2]" 1
781 1 60 ARG HA 1 61 LYS H . . 3.180 2.552 2.126 3.263 0.083 4 0 "[ . 1 . 2]" 1
782 1 60 ARG HA 1 61 LYS HA . . 5.270 4.363 4.216 4.494 . 0 0 "[ . 1 . 2]" 1
783 1 60 ARG HA 1 61 LYS QG . . 5.290 4.313 3.425 5.476 0.186 12 0 "[ . 1 . 2]" 1
784 1 60 ARG QB 1 60 ARG QD . . 3.370 2.211 2.072 2.478 . 0 0 "[ . 1 . 2]" 1
785 1 60 ARG QB 1 61 LYS QD . . 5.340 4.952 4.004 5.490 0.150 9 0 "[ . 1 . 2]" 1
786 1 61 LYS HA 1 61 LYS QD . . 4.490 3.786 1.992 4.541 0.051 11 0 "[ . 1 . 2]" 1
787 1 61 LYS QB 1 61 LYS QG . . 2.420 2.048 1.993 2.089 . 0 0 "[ . 1 . 2]" 1
788 1 61 LYS HB2 1 61 LYS QG . . 2.780 2.323 2.131 2.520 . 0 0 "[ . 1 . 2]" 1
789 1 61 LYS HB3 1 61 LYS QG . . 2.780 2.311 2.147 2.508 . 0 0 "[ . 1 . 2]" 1
790 1 61 LYS QD 1 61 LYS QG . . 2.400 2.054 1.996 2.092 . 0 0 "[ . 1 . 2]" 1
791 1 62 ASN HA 1 62 ASN QB . . 2.620 2.364 2.174 2.505 . 0 0 "[ . 1 . 2]" 1
792 1 62 ASN HA 1 63 SER HA . . 4.430 4.418 4.279 4.608 0.178 19 0 "[ . 1 . 2]" 1
793 1 62 ASN HA 1 63 SER QB . . 5.380 4.664 4.055 5.359 . 0 0 "[ . 1 . 2]" 1
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