NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
424541 |
2g0u   |
6981 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2g0u
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 684
_Distance_constraint_stats_list.Viol_count 3364
_Distance_constraint_stats_list.Viol_total 5012.219
_Distance_constraint_stats_list.Viol_max 0.310
_Distance_constraint_stats_list.Viol_rms 0.0421
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0183
_Distance_constraint_stats_list.Viol_average_violations_only 0.0745
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ASN 0.857 0.065 16 0 "[ . 1 . 2]"
1 4 PRO 1.105 0.065 16 0 "[ . 1 . 2]"
1 5 PRO 0.981 0.192 10 0 "[ . 1 . 2]"
1 6 THR 8.879 0.208 14 0 "[ . 1 . 2]"
1 7 PRO 9.612 0.208 14 0 "[ . 1 . 2]"
1 8 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 0.144 0.059 13 0 "[ . 1 . 2]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 TYR 0.183 0.066 16 0 "[ . 1 . 2]"
1 13 GLU 0.652 0.066 16 0 "[ . 1 . 2]"
1 14 TRP 0.465 0.060 1 0 "[ . 1 . 2]"
1 15 SER 0.345 0.038 4 0 "[ . 1 . 2]"
1 16 GLY 1.433 0.100 19 0 "[ . 1 . 2]"
1 17 TYR 1.679 0.100 19 0 "[ . 1 . 2]"
1 18 LEU 1.619 0.181 12 0 "[ . 1 . 2]"
1 19 THR 1.340 0.182 17 0 "[ . 1 . 2]"
1 20 GLY 1.264 0.123 15 0 "[ . 1 . 2]"
1 21 ILE 2.261 0.181 12 0 "[ . 1 . 2]"
1 22 GLY 1.599 0.182 17 0 "[ . 1 . 2]"
1 23 ARG 1.333 0.149 15 0 "[ . 1 . 2]"
1 24 ALA 5.519 0.225 19 0 "[ . 1 . 2]"
1 25 PHE 3.187 0.206 16 0 "[ . 1 . 2]"
1 26 ASP 2.366 0.225 19 0 "[ . 1 . 2]"
1 27 ASP 0.615 0.063 16 0 "[ . 1 . 2]"
1 28 GLY 0.582 0.090 14 0 "[ . 1 . 2]"
1 29 VAL 3.524 0.125 13 0 "[ . 1 . 2]"
1 30 LYS 1.148 0.093 1 0 "[ . 1 . 2]"
1 31 ASP 4.767 0.125 13 0 "[ . 1 . 2]"
1 32 LEU 6.225 0.135 11 0 "[ . 1 . 2]"
1 33 ASN 4.598 0.097 1 0 "[ . 1 . 2]"
1 34 LYS 2.679 0.072 19 0 "[ . 1 . 2]"
1 35 GLN 5.550 0.135 11 0 "[ . 1 . 2]"
1 36 LEU 15.606 0.178 20 0 "[ . 1 . 2]"
1 37 GLN 4.164 0.157 16 0 "[ . 1 . 2]"
1 38 ASP 3.447 0.091 6 0 "[ . 1 . 2]"
1 39 ALA 14.326 0.156 16 0 "[ . 1 . 2]"
1 40 GLN 10.230 0.222 16 0 "[ . 1 . 2]"
1 41 ALA 12.264 0.239 14 0 "[ . 1 . 2]"
1 42 ASN 10.345 0.179 20 0 "[ . 1 . 2]"
1 43 LEU 30.786 0.222 16 0 "[ . 1 . 2]"
1 44 THR 16.245 0.177 9 0 "[ . 1 . 2]"
1 45 LYS 14.082 0.239 14 0 "[ . 1 . 2]"
1 46 ASN 20.360 0.310 14 0 "[ . 1 . 2]"
1 47 PRO 13.820 0.142 19 0 "[ . 1 . 2]"
1 48 SER 13.399 0.226 12 0 "[ . 1 . 2]"
1 49 ASP 13.056 0.310 14 0 "[ . 1 . 2]"
1 50 PRO 10.029 0.168 19 0 "[ . 1 . 2]"
1 51 THR 13.915 0.244 20 0 "[ . 1 . 2]"
1 52 ALA 14.887 0.247 2 0 "[ . 1 . 2]"
1 53 LEU 19.609 0.198 16 0 "[ . 1 . 2]"
1 54 ALA 6.757 0.244 20 0 "[ . 1 . 2]"
1 55 ASN 18.013 0.194 16 0 "[ . 1 . 2]"
1 56 TYR 16.527 0.247 2 0 "[ . 1 . 2]"
1 57 GLN 5.355 0.097 3 0 "[ . 1 . 2]"
1 58 MET 5.033 0.114 10 0 "[ . 1 . 2]"
1 59 ILE 18.062 0.209 10 0 "[ . 1 . 2]"
1 60 MET 17.464 0.193 3 0 "[ . 1 . 2]"
1 61 SER 2.231 0.073 18 0 "[ . 1 . 2]"
1 62 GLU 3.365 0.094 17 0 "[ . 1 . 2]"
1 63 TYR 8.524 0.180 16 0 "[ . 1 . 2]"
1 64 ASN 6.508 0.126 18 0 "[ . 1 . 2]"
1 65 LEU 2.886 0.143 15 0 "[ . 1 . 2]"
1 66 TYR 3.238 0.132 6 0 "[ . 1 . 2]"
1 67 ARG 2.191 0.119 6 0 "[ . 1 . 2]"
1 68 ASN 4.314 0.175 18 0 "[ . 1 . 2]"
1 69 ALA 4.924 0.175 18 0 "[ . 1 . 2]"
1 70 GLN 0.140 0.031 20 0 "[ . 1 . 2]"
1 71 SER 0.084 0.036 20 0 "[ . 1 . 2]"
1 72 SER 0.219 0.052 6 0 "[ . 1 . 2]"
1 73 ALA 1.596 0.094 1 0 "[ . 1 . 2]"
1 74 VAL 5.111 0.222 6 0 "[ . 1 . 2]"
1 75 LYS 0.056 0.035 3 0 "[ . 1 . 2]"
1 76 SER 0.523 0.074 18 0 "[ . 1 . 2]"
1 77 MET 0.319 0.122 9 0 "[ . 1 . 2]"
1 78 LYS 0.007 0.007 3 0 "[ . 1 . 2]"
1 79 ASP 0.390 0.074 18 0 "[ . 1 . 2]"
1 80 ILE 1.696 0.082 3 0 "[ . 1 . 2]"
1 81 ASP 2.354 0.082 3 0 "[ . 1 . 2]"
1 82 SER 0.593 0.066 14 0 "[ . 1 . 2]"
1 83 SER 0.041 0.041 14 0 "[ . 1 . 2]"
1 84 ILE 0.197 0.046 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ASN HA 1 4 PRO HD2 . . 2.700 2.588 2.475 2.747 0.047 6 0 "[ . 1 . 2]" 1
2 1 3 ASN HA 1 4 PRO HD3 . . 2.700 2.347 2.100 2.540 . 0 0 "[ . 1 . 2]" 1
3 1 3 ASN HA 1 4 PRO HG2 . . 5.500 4.660 4.616 4.704 . 0 0 "[ . 1 . 2]" 1
4 1 3 ASN HA 1 4 PRO HG3 . . 5.500 4.560 4.295 4.743 . 0 0 "[ . 1 . 2]" 1
5 1 3 ASN HB2 1 4 PRO HD2 . . 4.500 2.244 2.108 2.526 . 0 0 "[ . 1 . 2]" 1
6 1 3 ASN HB2 1 4 PRO HD3 . . 3.500 3.515 3.396 3.565 0.065 16 0 "[ . 1 . 2]" 1
7 1 3 ASN HB3 1 4 PRO HD2 . . 5.500 3.623 3.434 3.896 . 0 0 "[ . 1 . 2]" 1
8 1 3 ASN HB3 1 4 PRO HD3 . . 4.500 4.402 4.171 4.500 0.000 20 0 "[ . 1 . 2]" 1
9 1 4 PRO HA 1 5 PRO HA . . 5.500 4.502 4.352 4.575 . 0 0 "[ . 1 . 2]" 1
10 1 4 PRO HA 1 5 PRO HD2 . . 2.700 2.583 2.403 2.759 0.059 15 0 "[ . 1 . 2]" 1
11 1 4 PRO HA 1 5 PRO HD3 . . 2.700 2.332 2.113 2.512 . 0 0 "[ . 1 . 2]" 1
12 1 5 PRO QB 1 7 PRO HD3 . . 5.500 5.531 5.433 5.692 0.192 10 0 "[ . 1 . 2]" 1
13 1 6 THR HA 1 7 PRO HB2 . . 5.500 5.220 5.160 5.543 0.043 9 0 "[ . 1 . 2]" 1
14 1 6 THR HA 1 7 PRO HB3 . . 5.500 5.452 4.481 5.590 0.090 18 0 "[ . 1 . 2]" 1
15 1 6 THR HA 1 7 PRO HD2 . . 2.700 2.854 2.784 2.879 0.179 19 0 "[ . 1 . 2]" 1
16 1 6 THR HA 1 7 PRO HD3 . . 2.700 1.954 1.882 2.015 . 0 0 "[ . 1 . 2]" 1
17 1 6 THR HA 1 7 PRO HG2 . . 4.500 4.568 4.525 4.640 0.140 14 0 "[ . 1 . 2]" 1
18 1 6 THR HA 1 7 PRO HG3 . . 5.500 4.117 4.030 4.354 . 0 0 "[ . 1 . 2]" 1
19 1 6 THR HB 1 7 PRO HD2 . . 3.500 2.057 1.971 2.169 . 0 0 "[ . 1 . 2]" 1
20 1 6 THR HB 1 7 PRO HD3 . . 2.700 2.862 2.806 2.908 0.208 14 0 "[ . 1 . 2]" 1
21 1 6 THR MG 1 7 PRO HD2 . . 4.500 3.461 3.327 3.600 . 0 0 "[ . 1 . 2]" 1
22 1 6 THR MG 1 7 PRO HD3 . . 3.500 3.420 3.227 3.518 0.018 18 0 "[ . 1 . 2]" 1
23 1 8 LEU H 1 9 LEU H . . 4.500 3.266 2.067 4.435 . 0 0 "[ . 1 . 2]" 1
24 1 9 LEU H 1 10 ALA H . . 4.500 3.031 1.891 4.403 . 0 0 "[ . 1 . 2]" 1
25 1 10 ALA HA 1 11 ASP HA . . 5.500 4.702 4.285 4.971 . 0 0 "[ . 1 . 2]" 1
26 1 10 ALA HA 1 13 GLU QB . . 5.500 4.367 2.166 5.559 0.059 13 0 "[ . 1 . 2]" 1
27 1 10 ALA MB 1 11 ASP HA . . 4.500 4.205 3.828 4.481 . 0 0 "[ . 1 . 2]" 1
28 1 11 ASP H 1 12 TYR H . . 4.500 2.925 2.078 4.411 . 0 0 "[ . 1 . 2]" 1
29 1 12 TYR H 1 13 GLU H . . 4.500 3.094 1.921 4.412 . 0 0 "[ . 1 . 2]" 1
30 1 12 TYR HA 1 13 GLU H . . 3.500 3.066 2.195 3.566 0.066 16 0 "[ . 1 . 2]" 1
31 1 12 TYR HA 1 15 SER QB . . 5.500 4.219 2.663 5.511 0.011 13 0 "[ . 1 . 2]" 1
32 1 13 GLU H 1 14 TRP H . . 4.500 2.889 1.854 4.412 . 0 0 "[ . 1 . 2]" 1
33 1 13 GLU HA 1 14 TRP H . . 3.500 3.332 2.576 3.560 0.060 1 0 "[ . 1 . 2]" 1
34 1 14 TRP HA 1 15 SER H . . 3.500 3.322 2.288 3.531 0.031 3 0 "[ . 1 . 2]" 1
35 1 14 TRP HA 1 17 TYR QB . . 4.500 3.842 2.253 4.524 0.024 2 0 "[ . 1 . 2]" 1
36 1 15 SER HA 1 16 GLY H . . 3.500 3.237 2.126 3.538 0.038 4 0 "[ . 1 . 2]" 1
37 1 15 SER HA 1 18 LEU QB . . 5.500 3.865 2.134 5.501 0.001 16 0 "[ . 1 . 2]" 1
38 1 16 GLY QA 1 17 TYR H . . 2.700 2.738 2.597 2.800 0.100 19 0 "[ . 1 . 2]" 1
39 1 16 GLY QA 1 17 TYR HA . . 4.500 4.120 4.063 4.214 . 0 0 "[ . 1 . 2]" 1
40 1 16 GLY QA 1 18 LEU H . . 5.500 3.988 3.526 4.460 . 0 0 "[ . 1 . 2]" 1
41 1 16 GLY QA 1 19 THR HB . . 3.500 3.191 2.238 3.559 0.059 2 0 "[ . 1 . 2]" 1
42 1 16 GLY QA 1 19 THR MG . . 5.500 4.164 3.241 4.802 . 0 0 "[ . 1 . 2]" 1
43 1 17 TYR HA 1 18 LEU H . . 3.500 3.529 3.447 3.595 0.095 5 0 "[ . 1 . 2]" 1
44 1 18 LEU H 1 19 THR H . . 4.500 2.766 2.024 4.273 . 0 0 "[ . 1 . 2]" 1
45 1 18 LEU HA 1 21 ILE HB . . 4.500 4.331 2.545 4.681 0.181 12 0 "[ . 1 . 2]" 1
46 1 19 THR HA 1 20 GLY H . . 3.500 3.452 2.822 3.561 0.061 5 0 "[ . 1 . 2]" 1
47 1 19 THR MG 1 22 GLY QA . . 4.500 4.376 3.599 4.682 0.182 17 0 "[ . 1 . 2]" 1
48 1 20 GLY QA 1 21 ILE H . . 2.700 2.717 2.611 2.823 0.123 15 0 "[ . 1 . 2]" 1
49 1 20 GLY QA 1 23 ARG QB . . 5.500 3.953 2.145 5.521 0.021 8 0 "[ . 1 . 2]" 1
50 1 21 ILE H 1 22 GLY H . . 5.500 2.824 1.986 4.366 . 0 0 "[ . 1 . 2]" 1
51 1 21 ILE HA 1 22 GLY H . . 3.500 3.362 1.993 3.562 0.062 5 0 "[ . 1 . 2]" 1
52 1 21 ILE HA 1 24 ALA MB . . 3.500 3.088 2.129 3.573 0.073 12 0 "[ . 1 . 2]" 1
53 1 22 GLY QA 1 23 ARG H . . 2.700 2.722 2.593 2.842 0.142 2 0 "[ . 1 . 2]" 1
54 1 22 GLY QA 1 25 PHE QB . . 5.500 4.158 2.175 5.535 0.035 9 0 "[ . 1 . 2]" 1
55 1 23 ARG HA 1 24 ALA MB . . 5.500 4.941 4.625 5.029 . 0 0 "[ . 1 . 2]" 1
56 1 23 ARG HA 1 26 ASP QB . . 3.500 3.102 2.037 3.573 0.073 10 0 "[ . 1 . 2]" 1
57 1 23 ARG QD 1 24 ALA HA . . 5.500 5.049 3.220 5.582 0.082 15 0 "[ . 1 . 2]" 1
58 1 23 ARG QG 1 24 ALA HA . . 5.500 4.222 3.302 5.649 0.149 15 0 "[ . 1 . 2]" 1
59 1 24 ALA HA 1 25 PHE H . . 3.500 3.473 3.344 3.571 0.071 2 0 "[ . 1 . 2]" 1
60 1 24 ALA HA 1 25 PHE HA . . 4.500 4.645 4.545 4.706 0.206 16 0 "[ . 1 . 2]" 1
61 1 24 ALA HA 1 26 ASP QB . . 4.500 4.552 4.243 4.725 0.225 19 0 "[ . 1 . 2]" 1
62 1 24 ALA HA 1 27 ASP QB . . 3.500 3.089 2.111 3.545 0.045 16 0 "[ . 1 . 2]" 1
63 1 24 ALA MB 1 25 PHE HA . . 4.500 4.144 3.983 4.345 . 0 0 "[ . 1 . 2]" 1
64 1 25 PHE HA 1 26 ASP QB . . 5.500 5.005 4.599 5.432 . 0 0 "[ . 1 . 2]" 1
65 1 26 ASP H 1 27 ASP H . . 4.500 2.537 1.935 3.109 . 0 0 "[ . 1 . 2]" 1
66 1 26 ASP HA 1 29 VAL HB . . 4.500 4.099 3.136 4.606 0.106 4 0 "[ . 1 . 2]" 1
67 1 26 ASP HA 1 29 VAL QG . . 4.500 3.132 1.975 4.171 . 0 0 "[ . 1 . 2]" 1
68 1 26 ASP QB 1 29 VAL QG . . 4.500 4.293 3.270 4.526 0.026 11 0 "[ . 1 . 2]" 1
69 1 27 ASP H 1 28 GLY H . . 3.500 2.839 2.122 3.163 . 0 0 "[ . 1 . 2]" 1
70 1 27 ASP H 1 29 VAL H . . 5.500 4.361 4.165 4.666 . 0 0 "[ . 1 . 2]" 1
71 1 27 ASP HA 1 28 GLY H . . 3.500 3.495 3.358 3.540 0.040 13 0 "[ . 1 . 2]" 1
72 1 27 ASP HA 1 29 VAL H . . 4.500 3.843 3.660 4.265 . 0 0 "[ . 1 . 2]" 1
73 1 27 ASP HA 1 30 LYS QB . . 3.500 2.827 2.074 3.563 0.063 16 0 "[ . 1 . 2]" 1
74 1 27 ASP HA 1 30 LYS QD . . 3.500 2.808 2.101 3.526 0.026 18 0 "[ . 1 . 2]" 1
75 1 28 GLY H 1 29 VAL H . . 3.500 2.642 2.199 3.392 . 0 0 "[ . 1 . 2]" 1
76 1 28 GLY H 1 30 LYS H . . 5.500 4.098 3.675 4.892 . 0 0 "[ . 1 . 2]" 1
77 1 28 GLY QA 1 31 ASP QB . . 4.500 4.009 2.124 4.590 0.090 14 0 "[ . 1 . 2]" 1
78 1 29 VAL H 1 30 LYS H . . 2.700 1.991 1.829 2.708 0.008 16 0 "[ . 1 . 2]" 1
79 1 29 VAL HA 1 29 VAL QG . . 2.700 2.106 2.050 2.302 . 0 0 "[ . 1 . 2]" 1
80 1 29 VAL HA 1 30 LYS H . . 3.500 3.457 3.319 3.562 0.062 6 0 "[ . 1 . 2]" 1
81 1 29 VAL HA 1 32 LEU HB2 . . 4.500 3.539 2.241 4.384 . 0 0 "[ . 1 . 2]" 1
82 1 29 VAL HA 1 32 LEU QB . . 5.500 3.384 2.172 4.167 . 0 0 "[ . 1 . 2]" 1
83 1 29 VAL HA 1 32 LEU HB3 . . 5.500 4.342 2.913 5.207 . 0 0 "[ . 1 . 2]" 1
84 1 29 VAL HA 1 32 LEU MD1 . . 5.500 4.433 2.630 5.301 . 0 0 "[ . 1 . 2]" 1
85 1 29 VAL HA 1 33 ASN H . . 5.500 4.934 4.295 5.556 0.056 13 0 "[ . 1 . 2]" 1
86 1 29 VAL QG 1 70 GLN QG . . 5.500 4.170 1.923 5.527 0.027 2 0 "[ . 1 . 2]" 1
87 1 29 VAL MG1 1 31 ASP HB3 . . 4.500 4.589 4.548 4.625 0.125 13 0 "[ . 1 . 2]" 1
88 1 29 VAL MG2 1 30 LYS HA . . 5.500 5.287 3.898 5.593 0.093 1 0 "[ . 1 . 2]" 1
89 1 29 VAL MG2 1 31 ASP QB . . 5.500 5.215 4.704 5.580 0.080 6 0 "[ . 1 . 2]" 1
90 1 30 LYS HA 1 31 ASP H . . 3.500 3.470 3.420 3.510 0.010 6 0 "[ . 1 . 2]" 1
91 1 30 LYS HA 1 33 ASN H . . 4.500 3.260 2.902 3.827 . 0 0 "[ . 1 . 2]" 1
92 1 30 LYS HA 1 33 ASN QB . . 3.500 2.604 1.998 3.533 0.033 6 0 "[ . 1 . 2]" 1
93 1 31 ASP HA 1 31 ASP QB . . 2.700 2.388 2.357 2.409 . 0 0 "[ . 1 . 2]" 1
94 1 31 ASP HA 1 32 LEU H . . 3.500 3.563 3.542 3.596 0.096 13 0 "[ . 1 . 2]" 1
95 1 31 ASP HA 1 33 ASN H . . 4.500 4.540 4.405 4.594 0.094 8 0 "[ . 1 . 2]" 1
96 1 31 ASP HA 1 34 LYS H . . 4.500 3.562 3.280 3.924 . 0 0 "[ . 1 . 2]" 1
97 1 31 ASP HA 1 34 LYS QB . . 3.500 2.728 2.376 3.181 . 0 0 "[ . 1 . 2]" 1
98 1 31 ASP HA 1 35 GLN H . . 4.500 4.295 3.991 4.600 0.100 1 0 "[ . 1 . 2]" 1
99 1 31 ASP QB 1 32 LEU QB . . 5.500 3.690 3.408 3.926 . 0 0 "[ . 1 . 2]" 1
100 1 31 ASP QB 1 34 LYS QB . . 5.500 4.521 4.204 4.894 . 0 0 "[ . 1 . 2]" 1
101 1 32 LEU H 1 32 LEU HB2 . . 2.700 2.168 2.097 2.261 . 0 0 "[ . 1 . 2]" 1
102 1 32 LEU H 1 32 LEU HB3 . . 2.700 2.743 2.701 2.784 0.084 20 0 "[ . 1 . 2]" 1
103 1 32 LEU H 1 33 ASN H . . 2.700 2.498 2.298 2.734 0.034 6 0 "[ . 1 . 2]" 1
104 1 32 LEU H 1 34 LYS H . . 5.500 3.981 3.890 4.089 . 0 0 "[ . 1 . 2]" 1
105 1 32 LEU HA 1 33 ASN H . . 3.500 3.541 3.516 3.554 0.054 2 0 "[ . 1 . 2]" 1
106 1 32 LEU HA 1 35 GLN QB . . 2.700 2.554 2.357 2.699 . 0 0 "[ . 1 . 2]" 1
107 1 32 LEU HA 1 35 GLN HG2 . . 4.500 4.572 4.440 4.635 0.135 11 0 "[ . 1 . 2]" 1
108 1 32 LEU HA 1 35 GLN HG3 . . 4.500 3.329 3.038 3.759 . 0 0 "[ . 1 . 2]" 1
109 1 32 LEU HA 1 63 TYR QR . . 5.500 4.964 4.558 5.319 . 0 0 "[ . 1 . 2]" 1
110 1 32 LEU HB2 1 33 ASN H . . 3.500 3.557 3.535 3.597 0.097 1 0 "[ . 1 . 2]" 1
111 1 32 LEU HB3 1 33 ASN H . . 3.500 2.633 2.428 2.870 . 0 0 "[ . 1 . 2]" 1
112 1 32 LEU HB3 1 63 TYR QD . . 5.500 3.102 2.540 3.668 . 0 0 "[ . 1 . 2]" 1
113 1 32 LEU HB3 1 63 TYR QE . . 5.500 4.511 3.697 5.284 . 0 0 "[ . 1 . 2]" 1
114 1 32 LEU QD 1 35 GLN QB . . 3.500 2.715 2.504 3.104 . 0 0 "[ . 1 . 2]" 1
115 1 32 LEU QD 1 35 GLN QG . . 4.500 4.245 4.111 4.372 . 0 0 "[ . 1 . 2]" 1
116 1 32 LEU QD 1 63 TYR HA . . 3.500 1.995 1.866 2.110 . 0 0 "[ . 1 . 2]" 1
117 1 32 LEU QD 1 66 TYR HA . . 5.500 4.570 4.264 4.976 . 0 0 "[ . 1 . 2]" 1
118 1 32 LEU MD1 1 66 TYR QB . . 4.500 2.303 2.064 2.666 . 0 0 "[ . 1 . 2]" 1
119 1 32 LEU MD1 1 66 TYR QD . . 5.500 2.690 2.196 3.403 . 0 0 "[ . 1 . 2]" 1
120 1 32 LEU MD1 1 66 TYR QE . . 4.500 3.846 3.234 4.438 . 0 0 "[ . 1 . 2]" 1
121 1 32 LEU MD1 1 67 ARG QB . . 5.500 5.262 4.203 5.545 0.045 8 0 "[ . 1 . 2]" 1
122 1 32 LEU MD1 1 67 ARG QD . . 5.500 5.059 3.919 5.619 0.119 6 0 "[ . 1 . 2]" 1
123 1 32 LEU MD2 1 62 GLU QB . . 3.500 2.736 2.506 3.040 . 0 0 "[ . 1 . 2]" 1
124 1 32 LEU MD2 1 63 TYR QB . . 4.500 2.154 2.100 2.215 . 0 0 "[ . 1 . 2]" 1
125 1 32 LEU MD2 1 63 TYR QR . . 2.700 2.384 2.197 2.648 . 0 0 "[ . 1 . 2]" 1
126 1 32 LEU MD2 1 66 TYR QB . . 4.500 4.121 3.856 4.490 . 0 0 "[ . 1 . 2]" 1
127 1 33 ASN H 1 34 LYS H . . 2.700 2.686 2.612 2.731 0.031 20 0 "[ . 1 . 2]" 1
128 1 33 ASN H 1 35 GLN H . . 4.500 4.169 4.074 4.270 . 0 0 "[ . 1 . 2]" 1
129 1 33 ASN HA 1 34 LYS H . . 3.500 3.554 3.538 3.572 0.072 19 0 "[ . 1 . 2]" 1
130 1 33 ASN HA 1 35 GLN H . . 4.500 4.465 4.370 4.513 0.013 10 0 "[ . 1 . 2]" 1
131 1 33 ASN HA 1 36 LEU H . . 3.500 3.336 3.178 3.431 . 0 0 "[ . 1 . 2]" 1
132 1 33 ASN HA 1 36 LEU HB2 . . 3.500 3.451 3.184 3.533 0.033 14 0 "[ . 1 . 2]" 1
133 1 33 ASN HA 1 36 LEU QB . . 2.700 2.586 2.414 2.695 . 0 0 "[ . 1 . 2]" 1
134 1 33 ASN HA 1 36 LEU HB3 . . 3.500 2.673 2.500 2.800 . 0 0 "[ . 1 . 2]" 1
135 1 33 ASN HA 1 37 GLN H . . 4.500 3.970 3.845 4.097 . 0 0 "[ . 1 . 2]" 1
136 1 33 ASN HA 1 63 TYR QR . . 3.500 2.942 2.475 3.354 . 0 0 "[ . 1 . 2]" 1
137 1 34 LYS H 1 34 LYS QB . . 2.700 2.237 2.090 2.292 . 0 0 "[ . 1 . 2]" 1
138 1 34 LYS H 1 35 GLN H . . 2.700 2.710 2.637 2.762 0.062 14 0 "[ . 1 . 2]" 1
139 1 34 LYS H 1 36 LEU H . . 5.500 4.102 4.045 4.169 . 0 0 "[ . 1 . 2]" 1
140 1 34 LYS HA 1 34 LYS HB2 . . 2.700 2.492 2.331 2.597 . 0 0 "[ . 1 . 2]" 1
141 1 34 LYS HA 1 35 GLN H . . 3.500 3.556 3.544 3.571 0.071 2 0 "[ . 1 . 2]" 1
142 1 34 LYS HA 1 37 GLN QB . . 3.500 2.511 2.273 2.812 . 0 0 "[ . 1 . 2]" 1
143 1 35 GLN H 1 35 GLN QB . . 3.500 2.434 2.186 2.533 . 0 0 "[ . 1 . 2]" 1
144 1 35 GLN H 1 36 LEU H . . 2.700 2.728 2.697 2.753 0.053 1 0 "[ . 1 . 2]" 1
145 1 35 GLN H 1 37 GLN H . . 5.500 4.268 4.181 4.366 . 0 0 "[ . 1 . 2]" 1
146 1 35 GLN HA 1 35 GLN HG2 . . 3.500 2.580 2.478 2.651 . 0 0 "[ . 1 . 2]" 1
147 1 35 GLN HA 1 35 GLN HG3 . . 3.500 2.984 2.743 3.587 0.087 18 0 "[ . 1 . 2]" 1
148 1 35 GLN HA 1 36 LEU H . . 3.500 3.556 3.546 3.565 0.065 16 0 "[ . 1 . 2]" 1
149 1 35 GLN HA 1 38 ASP HA . . 5.500 5.443 5.279 5.529 0.029 15 0 "[ . 1 . 2]" 1
150 1 35 GLN HA 1 38 ASP QB . . 3.500 2.619 2.520 2.706 . 0 0 "[ . 1 . 2]" 1
151 1 35 GLN HA 1 59 ILE MD . . 4.500 3.936 3.620 4.125 . 0 0 "[ . 1 . 2]" 1
152 1 35 GLN HA 1 59 ILE MG . . 5.500 4.190 4.100 4.372 . 0 0 "[ . 1 . 2]" 1
153 1 35 GLN QB 1 59 ILE HA . . 5.500 5.022 4.830 5.311 . 0 0 "[ . 1 . 2]" 1
154 1 35 GLN QB 1 59 ILE MD . . 3.500 2.706 2.270 2.902 . 0 0 "[ . 1 . 2]" 1
155 1 35 GLN QB 1 59 ILE MG . . 3.500 2.482 2.287 2.653 . 0 0 "[ . 1 . 2]" 1
156 1 35 GLN HG2 1 59 ILE MD . . 4.500 4.520 4.423 4.571 0.071 18 0 "[ . 1 . 2]" 1
157 1 35 GLN HG2 1 59 ILE MG . . 5.500 4.703 4.620 4.857 . 0 0 "[ . 1 . 2]" 1
158 1 35 GLN HG3 1 59 ILE MD . . 5.500 5.347 4.184 5.509 0.009 1 0 "[ . 1 . 2]" 1
159 1 35 GLN HG3 1 59 ILE MG . . 5.500 4.895 4.211 5.182 . 0 0 "[ . 1 . 2]" 1
160 1 36 LEU H 1 36 LEU HB2 . . 2.700 2.435 2.391 2.481 . 0 0 "[ . 1 . 2]" 1
161 1 36 LEU H 1 36 LEU HB3 . . 2.700 2.555 2.486 2.621 . 0 0 "[ . 1 . 2]" 1
162 1 36 LEU H 1 37 GLN H . . 2.700 2.730 2.716 2.746 0.046 6 0 "[ . 1 . 2]" 1
163 1 36 LEU HA 1 36 LEU HB2 . . 2.700 2.472 2.460 2.487 . 0 0 "[ . 1 . 2]" 1
164 1 36 LEU HA 1 36 LEU MD1 . . 2.700 2.092 2.064 2.136 . 0 0 "[ . 1 . 2]" 1
165 1 36 LEU HA 1 36 LEU MD2 . . 3.500 3.660 3.644 3.678 0.178 20 0 "[ . 1 . 2]" 1
166 1 36 LEU HA 1 36 LEU HG . . 3.500 3.026 2.966 3.105 . 0 0 "[ . 1 . 2]" 1
167 1 36 LEU HA 1 39 ALA H . . 3.500 3.121 3.066 3.182 . 0 0 "[ . 1 . 2]" 1
168 1 36 LEU HA 1 39 ALA MB . . 3.500 2.459 2.400 2.505 . 0 0 "[ . 1 . 2]" 1
169 1 36 LEU HA 1 59 ILE HB . . 4.500 3.403 3.353 3.463 . 0 0 "[ . 1 . 2]" 1
170 1 36 LEU HA 1 59 ILE MD . . 3.500 3.216 3.174 3.257 . 0 0 "[ . 1 . 2]" 1
171 1 36 LEU HA 1 59 ILE MG . . 2.700 2.022 2.011 2.037 . 0 0 "[ . 1 . 2]" 1
172 1 36 LEU HB3 1 37 GLN H . . 3.500 2.720 2.651 2.770 . 0 0 "[ . 1 . 2]" 1
173 1 36 LEU QD 1 59 ILE HB . . 3.500 2.508 2.453 2.563 . 0 0 "[ . 1 . 2]" 1
174 1 36 LEU QD 1 59 ILE MD . . 5.500 3.513 3.490 3.523 . 0 0 "[ . 1 . 2]" 1
175 1 36 LEU QD 1 59 ILE MG . . 3.500 2.028 1.998 2.052 . 0 0 "[ . 1 . 2]" 1
176 1 36 LEU MD1 1 39 ALA MB . . 3.500 2.345 2.313 2.379 . 0 0 "[ . 1 . 2]" 1
177 1 36 LEU MD1 1 40 GLN QB . . 4.500 3.973 3.865 4.086 . 0 0 "[ . 1 . 2]" 1
178 1 36 LEU MD1 1 56 TYR QR . . 4.500 2.714 2.387 2.961 . 0 0 "[ . 1 . 2]" 1
179 1 36 LEU MD1 1 59 ILE HA . . 4.500 4.163 4.130 4.208 . 0 0 "[ . 1 . 2]" 1
180 1 36 LEU MD1 1 59 ILE MD . . 3.500 3.564 3.546 3.572 0.072 20 0 "[ . 1 . 2]" 1
181 1 36 LEU MD1 1 59 ILE MG . . 4.500 2.056 2.034 2.078 . 0 0 "[ . 1 . 2]" 1
182 1 36 LEU MD1 1 60 MET HA . . 2.700 2.538 2.461 2.645 . 0 0 "[ . 1 . 2]" 1
183 1 36 LEU MD1 1 60 MET HB2 . . 3.500 2.131 2.090 2.169 . 0 0 "[ . 1 . 2]" 1
184 1 36 LEU MD1 1 60 MET ME . . 2.700 2.054 2.010 2.093 . 0 0 "[ . 1 . 2]" 1
185 1 36 LEU MD1 1 60 MET QG . . 2.700 2.821 2.811 2.828 0.128 1 0 "[ . 1 . 2]" 1
186 1 36 LEU MD1 1 63 TYR HB2 . . 4.500 3.596 3.437 3.789 . 0 0 "[ . 1 . 2]" 1
187 1 36 LEU MD1 1 63 TYR HB3 . . 4.500 3.654 3.551 3.816 . 0 0 "[ . 1 . 2]" 1
188 1 36 LEU MD1 1 63 TYR QR . . 5.500 4.063 3.938 4.184 . 0 0 "[ . 1 . 2]" 1
189 1 36 LEU MD2 1 39 ALA MB . . 4.500 4.597 4.580 4.614 0.114 1 0 "[ . 1 . 2]" 1
190 1 36 LEU MD2 1 56 TYR QR . . 5.500 4.115 3.769 4.414 . 0 0 "[ . 1 . 2]" 1
191 1 36 LEU MD2 1 59 ILE HA . . 5.500 5.401 5.183 5.532 0.032 4 0 "[ . 1 . 2]" 1
192 1 36 LEU MD2 1 59 ILE MD . . 5.500 5.318 5.194 5.385 . 0 0 "[ . 1 . 2]" 1
193 1 36 LEU MD2 1 60 MET HA . . 3.500 2.458 2.326 2.605 . 0 0 "[ . 1 . 2]" 1
194 1 36 LEU MD2 1 60 MET HB2 . . 4.500 3.301 3.256 3.352 . 0 0 "[ . 1 . 2]" 1
195 1 36 LEU MD2 1 60 MET ME . . 2.700 2.008 1.977 2.060 . 0 0 "[ . 1 . 2]" 1
196 1 36 LEU MD2 1 60 MET QG . . 2.700 2.279 2.215 2.353 . 0 0 "[ . 1 . 2]" 1
197 1 36 LEU MD2 1 63 TYR HB2 . . 4.500 2.362 2.230 2.450 . 0 0 "[ . 1 . 2]" 1
198 1 36 LEU MD2 1 63 TYR HB3 . . 4.500 2.443 2.339 2.555 . 0 0 "[ . 1 . 2]" 1
199 1 36 LEU MD2 1 63 TYR QR . . 3.500 2.527 2.430 2.577 . 0 0 "[ . 1 . 2]" 1
200 1 36 LEU MD2 1 64 ASN HA . . 5.500 5.582 5.512 5.626 0.126 18 0 "[ . 1 . 2]" 1
201 1 36 LEU HG 1 37 GLN HA . . 5.500 4.168 3.995 4.249 . 0 0 "[ . 1 . 2]" 1
202 1 36 LEU HG 1 59 ILE MD . . 5.500 5.630 5.595 5.660 0.160 8 0 "[ . 1 . 2]" 1
203 1 36 LEU HG 1 59 ILE MG . . 4.500 4.056 4.016 4.086 . 0 0 "[ . 1 . 2]" 1
204 1 36 LEU HG 1 60 MET ME . . 5.500 3.118 2.950 3.240 . 0 0 "[ . 1 . 2]" 1
205 1 37 GLN H 1 38 ASP H . . 2.700 2.702 2.658 2.719 0.019 4 0 "[ . 1 . 2]" 1
206 1 37 GLN H 1 39 ALA H . . 4.500 4.122 4.080 4.172 . 0 0 "[ . 1 . 2]" 1
207 1 37 GLN HA 1 38 ASP H . . 3.500 3.570 3.550 3.579 0.079 8 0 "[ . 1 . 2]" 1
208 1 37 GLN HA 1 39 ALA H . . 4.500 4.347 4.285 4.422 . 0 0 "[ . 1 . 2]" 1
209 1 37 GLN HA 1 40 GLN H . . 3.500 3.103 3.021 3.208 . 0 0 "[ . 1 . 2]" 1
210 1 37 GLN HA 1 40 GLN HB2 . . 2.700 2.803 2.751 2.857 0.157 16 0 "[ . 1 . 2]" 1
211 1 37 GLN HA 1 40 GLN HB3 . . 3.500 2.377 2.232 2.454 . 0 0 "[ . 1 . 2]" 1
212 1 38 ASP H 1 38 ASP HB2 . . 2.700 2.541 2.241 2.611 . 0 0 "[ . 1 . 2]" 1
213 1 38 ASP H 1 38 ASP HB3 . . 3.500 2.569 2.490 2.794 . 0 0 "[ . 1 . 2]" 1
214 1 38 ASP H 1 39 ALA H . . 2.700 2.711 2.699 2.727 0.027 1 0 "[ . 1 . 2]" 1
215 1 38 ASP H 1 40 GLN H . . 5.500 4.097 4.032 4.118 . 0 0 "[ . 1 . 2]" 1
216 1 38 ASP HA 1 39 ALA H . . 3.500 3.583 3.576 3.591 0.091 6 0 "[ . 1 . 2]" 1
217 1 38 ASP HA 1 41 ALA H . . 4.500 3.174 3.024 3.289 . 0 0 "[ . 1 . 2]" 1
218 1 38 ASP HA 1 41 ALA MB . . 2.700 2.579 2.408 2.693 . 0 0 "[ . 1 . 2]" 1
219 1 38 ASP HB3 1 59 ILE MD . . 5.500 4.217 4.040 4.369 . 0 0 "[ . 1 . 2]" 1
220 1 39 ALA H 1 40 GLN H . . 2.700 2.720 2.708 2.747 0.047 3 0 "[ . 1 . 2]" 1
221 1 39 ALA H 1 41 ALA H . . 5.500 4.071 4.002 4.140 . 0 0 "[ . 1 . 2]" 1
222 1 39 ALA HA 1 40 GLN H . . 3.500 3.531 3.520 3.541 0.041 6 0 "[ . 1 . 2]" 1
223 1 39 ALA HA 1 40 GLN HA . . 5.500 4.816 4.792 4.851 . 0 0 "[ . 1 . 2]" 1
224 1 39 ALA HA 1 42 ASN H . . 3.500 3.397 3.321 3.474 . 0 0 "[ . 1 . 2]" 1
225 1 39 ALA HA 1 42 ASN QB . . 3.500 2.930 2.838 3.026 . 0 0 "[ . 1 . 2]" 1
226 1 39 ALA HA 1 43 LEU H . . 5.500 4.024 3.947 4.060 . 0 0 "[ . 1 . 2]" 1
227 1 39 ALA HA 1 56 TYR HA . . 5.500 4.565 4.506 4.629 . 0 0 "[ . 1 . 2]" 1
228 1 39 ALA HA 1 59 ILE MD . . 5.500 3.563 3.449 3.679 . 0 0 "[ . 1 . 2]" 1
229 1 39 ALA HA 1 59 ILE MG . . 5.500 5.273 5.241 5.338 . 0 0 "[ . 1 . 2]" 1
230 1 39 ALA MB 1 40 GLN HA . . 4.500 3.777 3.742 3.809 . 0 0 "[ . 1 . 2]" 1
231 1 39 ALA MB 1 40 GLN QB . . 5.500 3.598 3.569 3.623 . 0 0 "[ . 1 . 2]" 1
232 1 39 ALA MB 1 40 GLN QG . . 5.500 4.886 4.830 4.994 . 0 0 "[ . 1 . 2]" 1
233 1 39 ALA MB 1 42 ASN QB . . 4.500 4.154 4.058 4.249 . 0 0 "[ . 1 . 2]" 1
234 1 39 ALA MB 1 43 LEU MD1 . . 4.500 4.636 4.624 4.651 0.151 17 0 "[ . 1 . 2]" 1
235 1 39 ALA MB 1 43 LEU MD2 . . 4.500 4.529 4.515 4.557 0.057 20 0 "[ . 1 . 2]" 1
236 1 39 ALA MB 1 52 ALA MB . . 5.500 5.009 4.960 5.061 . 0 0 "[ . 1 . 2]" 1
237 1 39 ALA MB 1 55 ASN HA . . 5.500 4.592 4.567 4.627 . 0 0 "[ . 1 . 2]" 1
238 1 39 ALA MB 1 55 ASN HB2 . . 4.500 4.648 4.640 4.656 0.156 16 0 "[ . 1 . 2]" 1
239 1 39 ALA MB 1 55 ASN HB3 . . 3.500 3.556 3.549 3.567 0.067 17 0 "[ . 1 . 2]" 1
240 1 39 ALA MB 1 56 TYR HA . . 3.500 2.078 2.039 2.123 . 0 0 "[ . 1 . 2]" 1
241 1 39 ALA MB 1 56 TYR HB2 . . 4.500 2.362 2.297 2.433 . 0 0 "[ . 1 . 2]" 1
242 1 39 ALA MB 1 56 TYR HB3 . . 4.500 3.626 3.557 3.706 . 0 0 "[ . 1 . 2]" 1
243 1 39 ALA MB 1 56 TYR QD . . 3.500 2.353 2.115 2.531 . 0 0 "[ . 1 . 2]" 1
244 1 39 ALA MB 1 56 TYR QE . . 4.500 4.386 4.136 4.528 0.028 9 0 "[ . 1 . 2]" 1
245 1 39 ALA MB 1 59 ILE HA . . 5.500 5.297 5.239 5.373 . 0 0 "[ . 1 . 2]" 1
246 1 39 ALA MB 1 59 ILE HB . . 5.500 2.881 2.816 2.955 . 0 0 "[ . 1 . 2]" 1
247 1 39 ALA MB 1 59 ILE MD . . 2.700 1.945 1.925 1.971 . 0 0 "[ . 1 . 2]" 1
248 1 39 ALA MB 1 59 ILE MG . . 2.700 2.800 2.787 2.827 0.127 18 0 "[ . 1 . 2]" 1
249 1 40 GLN H 1 40 GLN QB . . 2.700 2.150 2.117 2.175 . 0 0 "[ . 1 . 2]" 1
250 1 40 GLN H 1 41 ALA H . . 2.700 2.754 2.745 2.765 0.065 9 0 "[ . 1 . 2]" 1
251 1 40 GLN H 1 42 ASN H . . 4.500 4.311 4.234 4.358 . 0 0 "[ . 1 . 2]" 1
252 1 40 GLN HA 1 40 GLN HB2 . . 2.700 2.637 2.614 2.655 . 0 0 "[ . 1 . 2]" 1
253 1 40 GLN HA 1 41 ALA H . . 3.500 3.542 3.534 3.558 0.058 2 0 "[ . 1 . 2]" 1
254 1 40 GLN HA 1 41 ALA MB . . 5.500 5.033 5.028 5.040 . 0 0 "[ . 1 . 2]" 1
255 1 40 GLN HA 1 42 ASN H . . 4.500 4.539 4.527 4.554 0.054 19 0 "[ . 1 . 2]" 1
256 1 40 GLN HA 1 43 LEU H . . 3.500 3.315 3.269 3.364 . 0 0 "[ . 1 . 2]" 1
257 1 40 GLN HA 1 43 LEU QB . . 3.500 2.208 2.163 2.265 . 0 0 "[ . 1 . 2]" 1
258 1 40 GLN HA 1 43 LEU MD1 . . 4.500 4.370 4.307 4.479 . 0 0 "[ . 1 . 2]" 1
259 1 40 GLN HA 1 43 LEU MD2 . . 3.500 3.238 3.152 3.322 . 0 0 "[ . 1 . 2]" 1
260 1 40 GLN HA 1 43 LEU HG . . 4.500 4.668 4.618 4.722 0.222 16 0 "[ . 1 . 2]" 1
261 1 40 GLN HA 1 56 TYR HA . . 5.500 5.527 5.507 5.555 0.055 18 0 "[ . 1 . 2]" 1
262 1 40 GLN HA 1 56 TYR HB2 . . 5.500 3.726 3.640 3.883 . 0 0 "[ . 1 . 2]" 1
263 1 40 GLN HA 1 56 TYR HB3 . . 5.500 5.034 4.910 5.223 . 0 0 "[ . 1 . 2]" 1
264 1 40 GLN HA 1 56 TYR QR . . 3.500 2.814 2.624 3.083 . 0 0 "[ . 1 . 2]" 1
265 1 40 GLN HA 1 60 MET ME . . 5.500 5.462 5.334 5.525 0.025 4 0 "[ . 1 . 2]" 1
266 1 40 GLN QB 1 56 TYR HA . . 5.500 5.523 5.494 5.545 0.045 2 0 "[ . 1 . 2]" 1
267 1 40 GLN QG 1 44 THR HB . . 5.500 5.134 5.042 5.234 . 0 0 "[ . 1 . 2]" 1
268 1 40 GLN QG 1 44 THR MG . . 5.500 5.110 5.038 5.212 . 0 0 "[ . 1 . 2]" 1
269 1 41 ALA H 1 42 ASN H . . 2.700 2.634 2.609 2.659 . 0 0 "[ . 1 . 2]" 1
270 1 41 ALA H 1 43 LEU H . . 5.500 3.790 3.762 3.833 . 0 0 "[ . 1 . 2]" 1
271 1 41 ALA HA 1 42 ASN H . . 3.500 3.595 3.585 3.601 0.101 6 0 "[ . 1 . 2]" 1
272 1 41 ALA HA 1 44 THR HA . . 5.500 4.369 4.320 4.434 . 0 0 "[ . 1 . 2]" 1
273 1 41 ALA HA 1 44 THR HB . . 3.500 1.996 1.985 2.019 . 0 0 "[ . 1 . 2]" 1
274 1 41 ALA HA 1 44 THR MG . . 3.500 3.598 3.583 3.626 0.126 13 0 "[ . 1 . 2]" 1
275 1 41 ALA HA 1 45 LYS H . . 3.500 3.679 3.608 3.739 0.239 14 0 "[ . 1 . 2]" 1
276 1 41 ALA MB 1 44 THR HA . . 5.500 5.646 5.607 5.677 0.177 9 0 "[ . 1 . 2]" 1
277 1 41 ALA MB 1 44 THR HB . . 3.500 3.310 3.267 3.329 . 0 0 "[ . 1 . 2]" 1
278 1 41 ALA MB 1 44 THR MG . . 4.500 4.132 4.096 4.177 . 0 0 "[ . 1 . 2]" 1
279 1 42 ASN H 1 42 ASN HB2 . . 2.700 2.595 2.500 2.763 0.063 2 0 "[ . 1 . 2]" 1
280 1 42 ASN H 1 42 ASN HB3 . . 3.500 3.542 2.652 3.653 0.153 6 0 "[ . 1 . 2]" 1
281 1 42 ASN H 1 43 LEU H . . 2.700 2.516 2.483 2.557 . 0 0 "[ . 1 . 2]" 1
282 1 42 ASN HA 1 43 LEU H . . 3.500 3.551 3.538 3.569 0.069 9 0 "[ . 1 . 2]" 1
283 1 42 ASN HA 1 44 THR HB . . 5.500 5.190 5.122 5.268 . 0 0 "[ . 1 . 2]" 1
284 1 42 ASN HA 1 45 LYS H . . 4.500 3.489 3.339 3.611 . 0 0 "[ . 1 . 2]" 1
285 1 42 ASN HA 1 45 LYS QB . . 3.500 2.802 2.285 3.150 . 0 0 "[ . 1 . 2]" 1
286 1 42 ASN HA 1 45 LYS QD . . 4.500 2.987 2.156 4.564 0.064 14 0 "[ . 1 . 2]" 1
287 1 42 ASN HA 1 45 LYS QG . . 3.500 3.512 2.741 3.646 0.146 9 0 "[ . 1 . 2]" 1
288 1 42 ASN QB 1 45 LYS QB . . 4.500 4.316 3.949 4.554 0.054 20 0 "[ . 1 . 2]" 1
289 1 42 ASN QB 1 52 ALA MB . . 4.500 2.827 2.713 2.993 . 0 0 "[ . 1 . 2]" 1
290 1 42 ASN HB2 1 51 THR MG . . 5.500 5.642 5.608 5.679 0.179 20 0 "[ . 1 . 2]" 1
291 1 42 ASN HB3 1 51 THR MG . . 5.500 5.121 4.988 5.296 . 0 0 "[ . 1 . 2]" 1
292 1 43 LEU H 1 43 LEU HB2 . . 2.700 2.216 2.200 2.244 . 0 0 "[ . 1 . 2]" 1
293 1 43 LEU H 1 43 LEU HB3 . . 2.700 2.813 2.799 2.835 0.135 20 0 "[ . 1 . 2]" 1
294 1 43 LEU H 1 43 LEU MD1 . . 3.500 3.557 3.536 3.575 0.075 9 0 "[ . 1 . 2]" 1
295 1 43 LEU H 1 43 LEU MD2 . . 4.500 4.299 4.277 4.327 . 0 0 "[ . 1 . 2]" 1
296 1 43 LEU H 1 44 THR H . . 2.700 2.723 2.713 2.744 0.044 2 0 "[ . 1 . 2]" 1
297 1 43 LEU H 1 45 LYS H . . 5.500 4.260 4.096 4.312 . 0 0 "[ . 1 . 2]" 1
298 1 43 LEU HA 1 43 LEU MD1 . . 2.700 1.990 1.977 1.998 . 0 0 "[ . 1 . 2]" 1
299 1 43 LEU HA 1 43 LEU MD2 . . 4.500 3.798 3.777 3.810 . 0 0 "[ . 1 . 2]" 1
300 1 43 LEU HA 1 43 LEU HG . . 3.500 2.664 2.623 2.694 . 0 0 "[ . 1 . 2]" 1
301 1 43 LEU HA 1 44 THR H . . 3.500 3.576 3.570 3.587 0.087 2 0 "[ . 1 . 2]" 1
302 1 43 LEU HA 1 46 ASN H . . 3.500 3.139 3.063 3.193 . 0 0 "[ . 1 . 2]" 1
303 1 43 LEU HA 1 46 ASN QB . . 4.500 4.230 4.173 4.292 . 0 0 "[ . 1 . 2]" 1
304 1 43 LEU HA 1 47 PRO HA . . 5.500 3.592 3.518 3.627 . 0 0 "[ . 1 . 2]" 1
305 1 43 LEU HA 1 52 ALA HA . . 5.500 4.760 4.698 4.837 . 0 0 "[ . 1 . 2]" 1
306 1 43 LEU HA 1 52 ALA MB . . 2.700 2.228 2.173 2.284 . 0 0 "[ . 1 . 2]" 1
307 1 43 LEU QB 1 47 PRO HA . . 4.500 3.888 3.866 3.926 . 0 0 "[ . 1 . 2]" 1
308 1 43 LEU HB2 1 52 ALA MB . . 5.500 3.128 3.093 3.177 . 0 0 "[ . 1 . 2]" 1
309 1 43 LEU HB2 1 53 LEU HA . . 5.500 4.309 4.297 4.329 . 0 0 "[ . 1 . 2]" 1
310 1 43 LEU HB3 1 52 ALA MB . . 5.500 4.252 4.219 4.291 . 0 0 "[ . 1 . 2]" 1
311 1 43 LEU HB3 1 53 LEU HA . . 5.500 5.546 5.538 5.557 0.057 2 0 "[ . 1 . 2]" 1
312 1 43 LEU HB3 1 53 LEU MD2 . . 5.500 5.685 5.677 5.698 0.198 16 0 "[ . 1 . 2]" 1
313 1 43 LEU QD 1 52 ALA MB . . 3.500 1.972 1.964 1.982 . 0 0 "[ . 1 . 2]" 1
314 1 43 LEU QD 1 53 LEU HA . . 3.500 2.164 2.142 2.186 . 0 0 "[ . 1 . 2]" 1
315 1 43 LEU QD 1 56 TYR QR . . 3.500 2.658 2.513 2.752 . 0 0 "[ . 1 . 2]" 1
316 1 43 LEU MD1 1 46 ASN QB . . 5.500 4.472 4.414 4.524 . 0 0 "[ . 1 . 2]" 1
317 1 43 LEU MD1 1 47 PRO HA . . 3.500 3.392 3.373 3.414 . 0 0 "[ . 1 . 2]" 1
318 1 43 LEU MD1 1 47 PRO QB . . 4.500 4.619 4.608 4.626 0.126 10 0 "[ . 1 . 2]" 1
319 1 43 LEU MD1 1 49 ASP QB . . 5.500 3.354 3.288 3.415 . 0 0 "[ . 1 . 2]" 1
320 1 43 LEU MD1 1 52 ALA HA . . 3.500 3.543 3.534 3.548 0.048 10 0 "[ . 1 . 2]" 1
321 1 43 LEU MD1 1 52 ALA MB . . 2.700 1.976 1.969 1.986 . 0 0 "[ . 1 . 2]" 1
322 1 43 LEU MD1 1 53 LEU H . . 4.500 2.794 2.781 2.812 . 0 0 "[ . 1 . 2]" 1
323 1 43 LEU MD1 1 53 LEU HA . . 3.500 2.225 2.199 2.256 . 0 0 "[ . 1 . 2]" 1
324 1 43 LEU MD1 1 53 LEU QB . . 3.500 2.100 2.090 2.113 . 0 0 "[ . 1 . 2]" 1
325 1 43 LEU MD1 1 53 LEU HG . . 4.500 4.098 4.080 4.129 . 0 0 "[ . 1 . 2]" 1
326 1 43 LEU MD1 1 55 ASN QD . . 4.500 4.647 4.634 4.665 0.165 18 0 "[ . 1 . 2]" 1
327 1 43 LEU MD1 1 56 TYR HA . . 5.500 5.360 5.323 5.409 . 0 0 "[ . 1 . 2]" 1
328 1 43 LEU MD1 1 56 TYR HB2 . . 4.500 3.438 3.326 3.510 . 0 0 "[ . 1 . 2]" 1
329 1 43 LEU MD1 1 56 TYR HB3 . . 4.500 3.104 3.029 3.182 . 0 0 "[ . 1 . 2]" 1
330 1 43 LEU MD1 1 56 TYR QD . . 4.500 4.013 3.899 4.087 . 0 0 "[ . 1 . 2]" 1
331 1 43 LEU MD2 1 44 THR HA . . 5.500 5.181 5.121 5.224 . 0 0 "[ . 1 . 2]" 1
332 1 43 LEU MD2 1 47 PRO HA . . 3.500 3.584 3.574 3.597 0.097 13 0 "[ . 1 . 2]" 1
333 1 43 LEU MD2 1 47 PRO QB . . 4.500 4.234 4.199 4.273 . 0 0 "[ . 1 . 2]" 1
334 1 43 LEU MD2 1 52 ALA HA . . 5.500 5.532 5.514 5.543 0.043 17 0 "[ . 1 . 2]" 1
335 1 43 LEU MD2 1 52 ALA MB . . 4.500 4.031 4.013 4.044 . 0 0 "[ . 1 . 2]" 1
336 1 43 LEU MD2 1 53 LEU HA . . 4.500 2.958 2.934 2.981 . 0 0 "[ . 1 . 2]" 1
337 1 43 LEU MD2 1 53 LEU QB . . 3.500 3.591 3.584 3.597 0.097 19 0 "[ . 1 . 2]" 1
338 1 43 LEU MD2 1 53 LEU MD1 . . 2.700 2.021 2.009 2.035 . 0 0 "[ . 1 . 2]" 1
339 1 43 LEU MD2 1 53 LEU MD2 . . 2.700 2.729 2.720 2.741 0.041 20 0 "[ . 1 . 2]" 1
340 1 43 LEU MD2 1 53 LEU HG . . 4.500 4.547 4.539 4.556 0.056 20 0 "[ . 1 . 2]" 1
341 1 43 LEU MD2 1 56 TYR HA . . 5.500 4.968 4.904 5.000 . 0 0 "[ . 1 . 2]" 1
342 1 43 LEU MD2 1 56 TYR HB2 . . 4.500 3.054 2.970 3.102 . 0 0 "[ . 1 . 2]" 1
343 1 43 LEU MD2 1 56 TYR HB3 . . 4.500 2.775 2.725 2.803 . 0 0 "[ . 1 . 2]" 1
344 1 43 LEU MD2 1 56 TYR QD . . 4.500 2.907 2.701 3.026 . 0 0 "[ . 1 . 2]" 1
345 1 43 LEU MD2 1 56 TYR QE . . 5.500 3.239 3.104 3.339 . 0 0 "[ . 1 . 2]" 1
346 1 43 LEU HG 1 44 THR HA . . 4.500 4.563 4.538 4.584 0.084 20 0 "[ . 1 . 2]" 1
347 1 43 LEU HG 1 47 PRO HA . . 3.500 2.148 2.138 2.174 . 0 0 "[ . 1 . 2]" 1
348 1 43 LEU HG 1 53 LEU HA . . 5.500 4.855 4.829 4.873 . 0 0 "[ . 1 . 2]" 1
349 1 44 THR H 1 44 THR HB . . 2.700 2.532 2.517 2.570 . 0 0 "[ . 1 . 2]" 1
350 1 44 THR H 1 45 LYS H . . 2.700 2.729 2.695 2.757 0.057 2 0 "[ . 1 . 2]" 1
351 1 44 THR H 1 46 ASN H . . 4.500 4.197 4.158 4.241 . 0 0 "[ . 1 . 2]" 1
352 1 44 THR HA 1 44 THR MG . . 2.700 2.409 2.385 2.437 . 0 0 "[ . 1 . 2]" 1
353 1 44 THR HA 1 45 LYS H . . 4.500 3.527 3.495 3.552 . 0 0 "[ . 1 . 2]" 1
354 1 44 THR HA 1 46 ASN H . . 5.500 4.223 4.182 4.282 . 0 0 "[ . 1 . 2]" 1
355 1 44 THR HA 1 47 PRO HA . . 4.500 3.896 3.854 3.924 . 0 0 "[ . 1 . 2]" 1
356 1 44 THR HA 1 47 PRO QB . . 4.500 4.552 4.538 4.569 0.069 20 0 "[ . 1 . 2]" 1
357 1 44 THR HA 1 47 PRO HD2 . . 5.500 5.051 4.976 5.082 . 0 0 "[ . 1 . 2]" 1
358 1 44 THR HA 1 47 PRO HD3 . . 4.500 3.412 3.303 3.451 . 0 0 "[ . 1 . 2]" 1
359 1 44 THR HA 1 47 PRO QG . . 3.500 2.955 2.878 3.019 . 0 0 "[ . 1 . 2]" 1
360 1 44 THR HB 1 45 LYS QB . . 5.500 4.647 4.076 4.900 . 0 0 "[ . 1 . 2]" 1
361 1 44 THR MG 1 45 LYS HA . . 3.500 3.493 3.413 3.592 0.092 9 0 "[ . 1 . 2]" 1
362 1 44 THR MG 1 45 LYS QB . . 4.500 4.577 4.181 4.641 0.141 14 0 "[ . 1 . 2]" 1
363 1 44 THR MG 1 47 PRO HA . . 5.500 5.625 5.605 5.642 0.142 19 0 "[ . 1 . 2]" 1
364 1 44 THR MG 1 47 PRO HD2 . . 5.500 5.584 5.549 5.600 0.100 18 0 "[ . 1 . 2]" 1
365 1 44 THR MG 1 47 PRO HD3 . . 5.500 4.273 4.255 4.288 . 0 0 "[ . 1 . 2]" 1
366 1 45 LYS H 1 45 LYS HB2 . . 2.700 2.379 2.274 2.797 0.097 13 0 "[ . 1 . 2]" 1
367 1 45 LYS H 1 45 LYS HB3 . . 3.500 3.423 2.034 3.621 0.121 14 0 "[ . 1 . 2]" 1
368 1 45 LYS H 1 46 ASN H . . 2.700 2.794 2.784 2.822 0.122 13 0 "[ . 1 . 2]" 1
369 1 45 LYS HA 1 46 ASN HA . . 4.500 4.516 4.503 4.533 0.033 5 0 "[ . 1 . 2]" 1
370 1 45 LYS HA 1 46 ASN HB3 . . 5.500 5.575 5.519 5.610 0.110 1 0 "[ . 1 . 2]" 1
371 1 45 LYS HA 1 47 PRO HD2 . . 5.500 5.557 5.541 5.605 0.105 9 0 "[ . 1 . 2]" 1
372 1 45 LYS HA 1 47 PRO HD3 . . 4.500 4.319 4.280 4.444 . 0 0 "[ . 1 . 2]" 1
373 1 45 LYS QB 1 45 LYS QE . . 3.500 2.679 2.041 3.568 0.068 5 0 "[ . 1 . 2]" 1
374 1 45 LYS QB 1 46 ASN HA . . 5.500 4.616 4.504 5.106 . 0 0 "[ . 1 . 2]" 1
375 1 45 LYS QB 1 46 ASN QB . . 4.500 3.533 3.339 4.200 . 0 0 "[ . 1 . 2]" 1
376 1 46 ASN H 1 46 ASN HA . . 2.700 2.884 2.874 2.889 0.189 12 0 "[ . 1 . 2]" 1
377 1 46 ASN H 1 46 ASN HB2 . . 3.500 3.281 3.199 3.352 . 0 0 "[ . 1 . 2]" 1
378 1 46 ASN H 1 46 ASN HB3 . . 2.700 2.883 2.873 2.904 0.204 1 0 "[ . 1 . 2]" 1
379 1 46 ASN HA 1 46 ASN HB2 . . 2.700 2.479 2.451 2.546 . 0 0 "[ . 1 . 2]" 1
380 1 46 ASN HA 1 47 PRO HA . . 4.500 4.523 4.516 4.538 0.038 1 0 "[ . 1 . 2]" 1
381 1 46 ASN HA 1 47 PRO QB . . 4.500 4.571 4.565 4.583 0.083 14 0 "[ . 1 . 2]" 1
382 1 46 ASN HA 1 47 PRO HD2 . . 2.700 2.283 2.217 2.337 . 0 0 "[ . 1 . 2]" 1
383 1 46 ASN HA 1 47 PRO HD3 . . 2.700 2.464 2.431 2.517 . 0 0 "[ . 1 . 2]" 1
384 1 46 ASN HA 1 47 PRO QG . . 4.500 4.053 4.029 4.095 . 0 0 "[ . 1 . 2]" 1
385 1 46 ASN HA 1 48 SER H . . 4.500 4.163 3.942 4.265 . 0 0 "[ . 1 . 2]" 1
386 1 46 ASN HA 1 49 ASP QB . . 4.500 4.185 4.174 4.197 . 0 0 "[ . 1 . 2]" 1
387 1 46 ASN HA 1 49 ASP HB3 . . 4.500 4.784 4.694 4.810 0.310 14 0 "[ . 1 . 2]" 1
388 1 46 ASN QB 1 47 PRO HD2 . . 4.500 4.345 4.277 4.424 . 0 0 "[ . 1 . 2]" 1
389 1 46 ASN QB 1 47 PRO HD3 . . 4.500 4.242 4.220 4.279 . 0 0 "[ . 1 . 2]" 1
390 1 46 ASN QB 1 47 PRO QG . . 5.500 5.481 5.467 5.499 . 0 0 "[ . 1 . 2]" 1
391 1 46 ASN QB 1 49 ASP QB . . 3.500 1.992 1.966 2.007 . 0 0 "[ . 1 . 2]" 1
392 1 46 ASN QB 1 52 ALA MB . . 3.500 3.553 3.520 3.568 0.068 9 0 "[ . 1 . 2]" 1
393 1 46 ASN HB2 1 49 ASP HA . . 5.500 5.532 5.457 5.576 0.076 1 0 "[ . 1 . 2]" 1
394 1 46 ASN HB2 1 49 ASP HB2 . . 5.500 3.431 3.407 3.452 . 0 0 "[ . 1 . 2]" 1
395 1 46 ASN HB2 1 49 ASP HB3 . . 5.500 3.994 3.959 4.011 . 0 0 "[ . 1 . 2]" 1
396 1 46 ASN HB3 1 49 ASP HA . . 5.500 4.365 4.299 4.393 . 0 0 "[ . 1 . 2]" 1
397 1 46 ASN HB3 1 49 ASP HB2 . . 5.500 2.228 2.187 2.258 . 0 0 "[ . 1 . 2]" 1
398 1 46 ASN HB3 1 49 ASP HB3 . . 5.500 2.289 2.240 2.307 . 0 0 "[ . 1 . 2]" 1
399 1 47 PRO HA 1 47 PRO HB3 . . 2.700 2.293 2.281 2.304 . 0 0 "[ . 1 . 2]" 1
400 1 47 PRO HA 1 52 ALA MB . . 5.500 4.896 4.851 4.930 . 0 0 "[ . 1 . 2]" 1
401 1 47 PRO HA 1 53 LEU MD2 . . 4.500 4.577 4.563 4.596 0.096 14 0 "[ . 1 . 2]" 1
402 1 47 PRO QB 1 48 SER HA . . 5.500 4.463 4.434 4.509 . 0 0 "[ . 1 . 2]" 1
403 1 47 PRO QB 1 48 SER QB . . 5.500 3.635 3.600 3.677 . 0 0 "[ . 1 . 2]" 1
404 1 47 PRO HB3 1 48 SER H . . 4.500 4.161 4.091 4.289 . 0 0 "[ . 1 . 2]" 1
405 1 47 PRO HB3 1 48 SER HA . . 5.500 5.232 5.187 5.282 . 0 0 "[ . 1 . 2]" 1
406 1 48 SER H 1 48 SER HB2 . . 3.500 3.675 3.452 3.724 0.224 11 0 "[ . 1 . 2]" 1
407 1 48 SER H 1 48 SER HB3 . . 2.700 2.873 2.799 2.896 0.196 10 0 "[ . 1 . 2]" 1
408 1 48 SER H 1 49 ASP H . . 2.700 2.647 2.431 2.747 0.047 1 0 "[ . 1 . 2]" 1
409 1 48 SER HA 1 48 SER HB2 . . 2.700 2.350 2.265 2.378 . 0 0 "[ . 1 . 2]" 1
410 1 48 SER HA 1 48 SER HB3 . . 2.700 2.500 2.402 2.926 0.226 12 0 "[ . 1 . 2]" 1
411 1 48 SER HA 1 49 ASP H . . 2.700 2.794 2.746 2.817 0.117 20 0 "[ . 1 . 2]" 1
412 1 48 SER HA 1 49 ASP HA . . 5.500 4.647 4.611 4.666 . 0 0 "[ . 1 . 2]" 1
413 1 48 SER HA 1 49 ASP HB2 . . 5.500 5.538 5.520 5.568 0.068 9 0 "[ . 1 . 2]" 1
414 1 48 SER HA 1 49 ASP HB3 . . 5.500 4.898 4.775 4.931 . 0 0 "[ . 1 . 2]" 1
415 1 48 SER HA 1 53 LEU QD . . 2.700 1.942 1.929 1.950 . 0 0 "[ . 1 . 2]" 1
416 1 48 SER QB 1 49 ASP HA . . 5.500 5.039 5.015 5.090 . 0 0 "[ . 1 . 2]" 1
417 1 48 SER QB 1 53 LEU MD1 . . 4.500 4.642 4.631 4.653 0.153 3 0 "[ . 1 . 2]" 1
418 1 48 SER QB 1 53 LEU QD . . 4.500 2.548 2.515 2.647 . 0 0 "[ . 1 . 2]" 1
419 1 49 ASP H 1 49 ASP QB . . 2.700 2.215 2.114 2.239 . 0 0 "[ . 1 . 2]" 1
420 1 49 ASP HA 1 49 ASP HB2 . . 2.700 2.288 2.254 2.303 . 0 0 "[ . 1 . 2]" 1
421 1 49 ASP HA 1 50 PRO HA . . 5.500 4.346 4.324 4.365 . 0 0 "[ . 1 . 2]" 1
422 1 49 ASP HA 1 50 PRO HB2 . . 5.500 5.590 5.581 5.595 0.095 1 0 "[ . 1 . 2]" 1
423 1 49 ASP HA 1 50 PRO HB3 . . 5.500 4.800 4.778 4.841 . 0 0 "[ . 1 . 2]" 1
424 1 49 ASP HA 1 50 PRO HD2 . . 2.700 2.375 2.334 2.404 . 0 0 "[ . 1 . 2]" 1
425 1 49 ASP HA 1 50 PRO HD3 . . 2.700 2.236 2.218 2.258 . 0 0 "[ . 1 . 2]" 1
426 1 49 ASP HA 1 50 PRO HG2 . . 4.500 4.517 4.499 4.527 0.027 19 0 "[ . 1 . 2]" 1
427 1 49 ASP HA 1 50 PRO HG3 . . 4.500 4.472 4.465 4.479 . 0 0 "[ . 1 . 2]" 1
428 1 49 ASP HA 1 52 ALA MB . . 4.500 4.229 4.188 4.243 . 0 0 "[ . 1 . 2]" 1
429 1 49 ASP QB 1 50 PRO QD . . 3.500 3.412 3.396 3.425 . 0 0 "[ . 1 . 2]" 1
430 1 49 ASP QB 1 50 PRO HD3 . . 4.500 4.157 4.131 4.171 . 0 0 "[ . 1 . 2]" 1
431 1 49 ASP QB 1 51 THR HB . . 5.500 5.065 4.995 5.121 . 0 0 "[ . 1 . 2]" 1
432 1 49 ASP QB 1 51 THR MG . . 5.500 5.491 5.277 5.521 0.021 4 0 "[ . 1 . 2]" 1
433 1 49 ASP HB2 1 50 PRO QD . . 4.500 3.614 3.600 3.627 . 0 0 "[ . 1 . 2]" 1
434 1 49 ASP HB2 1 52 ALA MB . . 3.500 3.579 3.540 3.599 0.099 20 0 "[ . 1 . 2]" 1
435 1 49 ASP HB3 1 50 PRO QD . . 4.500 4.192 4.161 4.266 . 0 0 "[ . 1 . 2]" 1
436 1 49 ASP HB3 1 52 ALA MB . . 3.500 2.178 2.168 2.198 . 0 0 "[ . 1 . 2]" 1
437 1 50 PRO HA 1 53 LEU HA . . 5.500 5.260 5.236 5.287 . 0 0 "[ . 1 . 2]" 1
438 1 50 PRO HA 1 53 LEU QB . . 2.700 2.420 2.395 2.440 . 0 0 "[ . 1 . 2]" 1
439 1 50 PRO HA 1 53 LEU MD1 . . 5.500 5.194 5.170 5.217 . 0 0 "[ . 1 . 2]" 1
440 1 50 PRO HA 1 53 LEU MD2 . . 5.500 3.733 3.710 3.776 . 0 0 "[ . 1 . 2]" 1
441 1 50 PRO HA 1 53 LEU HG . . 4.500 4.404 4.367 4.439 . 0 0 "[ . 1 . 2]" 1
442 1 50 PRO QB 1 51 THR HA . . 4.500 4.291 4.269 4.302 . 0 0 "[ . 1 . 2]" 1
443 1 50 PRO QB 1 51 THR HB . . 5.500 5.163 5.068 5.224 . 0 0 "[ . 1 . 2]" 1
444 1 50 PRO QB 1 51 THR MG . . 5.500 5.639 5.628 5.668 0.168 19 0 "[ . 1 . 2]" 1
445 1 50 PRO QB 1 53 LEU QB . . 4.500 4.002 3.990 4.023 . 0 0 "[ . 1 . 2]" 1
446 1 50 PRO QB 1 53 LEU QD . . 4.500 4.639 4.629 4.661 0.161 19 0 "[ . 1 . 2]" 1
447 1 50 PRO QD 1 52 ALA MB . . 4.500 4.610 4.602 4.620 0.120 9 0 "[ . 1 . 2]" 1
448 1 50 PRO QG 1 51 THR HA . . 5.500 4.678 4.661 4.697 . 0 0 "[ . 1 . 2]" 1
449 1 50 PRO QG 1 51 THR HB . . 5.500 4.284 4.184 4.363 . 0 0 "[ . 1 . 2]" 1
450 1 50 PRO HG2 1 51 THR MG . . 5.500 5.501 5.455 5.513 0.013 12 0 "[ . 1 . 2]" 1
451 1 51 THR H 1 51 THR HB . . 2.700 2.234 2.148 2.263 . 0 0 "[ . 1 . 2]" 1
452 1 51 THR HA 1 51 THR MG . . 2.700 2.548 2.508 2.655 . 0 0 "[ . 1 . 2]" 1
453 1 51 THR HA 1 54 ALA H . . 3.500 3.219 3.156 3.310 . 0 0 "[ . 1 . 2]" 1
454 1 51 THR HA 1 54 ALA HA . . 5.500 5.026 4.970 5.105 . 0 0 "[ . 1 . 2]" 1
455 1 51 THR HA 1 54 ALA MB . . 2.700 2.075 2.051 2.114 . 0 0 "[ . 1 . 2]" 1
456 1 51 THR HA 1 55 ASN HA . . 5.500 5.676 5.666 5.694 0.194 16 0 "[ . 1 . 2]" 1
457 1 51 THR HA 1 55 ASN QB . . 5.500 4.246 4.195 4.297 . 0 0 "[ . 1 . 2]" 1
458 1 51 THR HB 1 52 ALA MB . . 4.500 4.173 4.074 4.226 . 0 0 "[ . 1 . 2]" 1
459 1 51 THR HB 1 54 ALA MB . . 4.500 4.722 4.706 4.744 0.244 20 0 "[ . 1 . 2]" 1
460 1 51 THR HB 1 55 ASN QB . . 5.500 5.241 5.162 5.314 . 0 0 "[ . 1 . 2]" 1
461 1 51 THR MG 1 52 ALA HA . . 3.500 3.461 3.342 3.512 0.012 17 0 "[ . 1 . 2]" 1
462 1 51 THR MG 1 54 ALA MB . . 4.500 3.546 3.483 3.726 . 0 0 "[ . 1 . 2]" 1
463 1 51 THR MG 1 55 ASN HA . . 5.500 4.951 4.916 5.032 . 0 0 "[ . 1 . 2]" 1
464 1 51 THR MG 1 55 ASN QB . . 4.500 3.125 3.090 3.182 . 0 0 "[ . 1 . 2]" 1
465 1 52 ALA H 1 53 LEU H . . 3.500 2.728 2.703 2.749 . 0 0 "[ . 1 . 2]" 1
466 1 52 ALA HA 1 53 LEU H . . 3.500 3.522 3.517 3.526 0.026 1 0 "[ . 1 . 2]" 1
467 1 52 ALA HA 1 55 ASN H . . 3.500 3.581 3.558 3.603 0.103 15 0 "[ . 1 . 2]" 1
468 1 52 ALA HA 1 55 ASN QB . . 3.500 2.408 2.378 2.431 . 0 0 "[ . 1 . 2]" 1
469 1 52 ALA HA 1 56 TYR H . . 3.500 3.733 3.723 3.747 0.247 2 0 "[ . 1 . 2]" 1
470 1 52 ALA MB 1 53 LEU MD1 . . 4.500 4.591 4.587 4.594 0.094 8 0 "[ . 1 . 2]" 1
471 1 52 ALA MB 1 53 LEU QD . . 4.500 4.008 3.994 4.017 . 0 0 "[ . 1 . 2]" 1
472 1 52 ALA MB 1 55 ASN QB . . 4.500 3.931 3.903 3.964 . 0 0 "[ . 1 . 2]" 1
473 1 53 LEU H 1 53 LEU QB . . 2.700 2.087 2.078 2.093 . 0 0 "[ . 1 . 2]" 1
474 1 53 LEU H 1 55 ASN H . . 5.500 3.973 3.953 3.989 . 0 0 "[ . 1 . 2]" 1
475 1 53 LEU HA 1 53 LEU HB2 . . 2.700 2.511 2.505 2.517 . 0 0 "[ . 1 . 2]" 1
476 1 53 LEU HA 1 56 TYR H . . 4.500 3.358 3.339 3.387 . 0 0 "[ . 1 . 2]" 1
477 1 53 LEU HA 1 56 TYR QB . . 2.700 2.317 2.263 2.406 . 0 0 "[ . 1 . 2]" 1
478 1 53 LEU QD 1 54 ALA HA . . 4.500 4.551 4.544 4.555 0.055 9 0 "[ . 1 . 2]" 1
479 1 53 LEU QD 1 56 TYR QD . . 4.500 2.254 2.180 2.336 . 0 0 "[ . 1 . 2]" 1
480 1 53 LEU MD1 1 56 TYR HA . . 5.500 5.317 5.284 5.363 . 0 0 "[ . 1 . 2]" 1
481 1 53 LEU MD1 1 56 TYR QB . . 3.500 2.878 2.808 2.963 . 0 0 "[ . 1 . 2]" 1
482 1 53 LEU MD1 1 57 GLN HA . . 4.500 4.560 4.541 4.581 0.081 8 0 "[ . 1 . 2]" 1
483 1 53 LEU MD1 1 57 GLN QB . . 4.500 4.005 3.949 4.053 . 0 0 "[ . 1 . 2]" 1
484 1 53 LEU MD1 1 57 GLN HG2 . . 2.700 2.356 2.325 2.400 . 0 0 "[ . 1 . 2]" 1
485 1 53 LEU MD1 1 57 GLN HG3 . . 3.500 3.379 3.310 3.435 . 0 0 "[ . 1 . 2]" 1
486 1 53 LEU HG 1 57 GLN QG . . 4.500 3.586 3.545 3.641 . 0 0 "[ . 1 . 2]" 1
487 1 54 ALA H 1 55 ASN H . . 3.500 2.698 2.682 2.712 . 0 0 "[ . 1 . 2]" 1
488 1 54 ALA HA 1 55 ASN H . . 3.500 3.553 3.549 3.556 0.056 8 0 "[ . 1 . 2]" 1
489 1 54 ALA HA 1 57 GLN HA . . 5.500 5.507 5.445 5.531 0.031 16 0 "[ . 1 . 2]" 1
490 1 54 ALA HA 1 57 GLN QB . . 3.500 2.599 2.526 2.630 . 0 0 "[ . 1 . 2]" 1
491 1 54 ALA HA 1 57 GLN QG . . 4.500 3.663 3.531 3.794 . 0 0 "[ . 1 . 2]" 1
492 1 55 ASN H 1 55 ASN QB . . 2.700 2.141 2.123 2.163 . 0 0 "[ . 1 . 2]" 1
493 1 55 ASN H 1 56 TYR H . . 3.500 2.801 2.785 2.830 . 0 0 "[ . 1 . 2]" 1
494 1 55 ASN HA 1 55 ASN HB2 . . 2.700 2.440 2.430 2.449 . 0 0 "[ . 1 . 2]" 1
495 1 55 ASN HA 1 56 TYR H . . 3.500 3.571 3.567 3.577 0.077 3 0 "[ . 1 . 2]" 1
496 1 55 ASN HA 1 57 GLN H . . 4.500 4.561 4.551 4.569 0.069 1 0 "[ . 1 . 2]" 1
497 1 55 ASN HA 1 58 MET H . . 3.500 3.527 3.519 3.542 0.042 20 0 "[ . 1 . 2]" 1
498 1 55 ASN HA 1 58 MET QB . . 2.700 2.638 2.604 2.666 . 0 0 "[ . 1 . 2]" 1
499 1 55 ASN HA 1 58 MET ME . . 3.500 2.612 2.372 3.097 . 0 0 "[ . 1 . 2]" 1
500 1 55 ASN HA 1 58 MET HG2 . . 5.500 5.230 4.897 5.579 0.079 15 0 "[ . 1 . 2]" 1
501 1 55 ASN HA 1 58 MET HG3 . . 5.500 5.082 4.533 5.548 0.048 10 0 "[ . 1 . 2]" 1
502 1 55 ASN HA 1 59 ILE H . . 5.500 3.928 3.879 3.990 . 0 0 "[ . 1 . 2]" 1
503 1 55 ASN QB 1 58 MET QB . . 4.500 4.501 4.481 4.515 0.015 2 0 "[ . 1 . 2]" 1
504 1 55 ASN QB 1 59 ILE MD . . 4.500 3.917 3.838 4.011 . 0 0 "[ . 1 . 2]" 1
505 1 55 ASN QD 1 59 ILE HG13 . . 4.500 4.538 4.517 4.565 0.065 2 0 "[ . 1 . 2]" 1
506 1 56 TYR H 1 56 TYR HB2 . . 2.700 2.599 2.490 2.680 . 0 0 "[ . 1 . 2]" 1
507 1 56 TYR H 1 56 TYR HB3 . . 2.700 2.316 2.274 2.368 . 0 0 "[ . 1 . 2]" 1
508 1 56 TYR H 1 56 TYR QD . . 4.500 4.171 4.134 4.220 . 0 0 "[ . 1 . 2]" 1
509 1 56 TYR H 1 57 GLN H . . 3.500 2.996 2.984 3.006 . 0 0 "[ . 1 . 2]" 1
510 1 56 TYR H 1 58 MET H . . 4.500 4.398 4.376 4.421 . 0 0 "[ . 1 . 2]" 1
511 1 56 TYR HA 1 56 TYR HB2 . . 2.700 2.374 2.342 2.421 . 0 0 "[ . 1 . 2]" 1
512 1 56 TYR HA 1 56 TYR QD . . 3.500 3.086 2.856 3.248 . 0 0 "[ . 1 . 2]" 1
513 1 56 TYR HA 1 57 GLN H . . 3.500 3.593 3.586 3.597 0.097 3 0 "[ . 1 . 2]" 1
514 1 56 TYR HA 1 58 MET H . . 4.500 4.505 4.469 4.526 0.026 12 0 "[ . 1 . 2]" 1
515 1 56 TYR HA 1 59 ILE H . . 3.500 3.588 3.580 3.602 0.102 16 0 "[ . 1 . 2]" 1
516 1 56 TYR HA 1 59 ILE HB . . 3.500 2.815 2.781 2.851 . 0 0 "[ . 1 . 2]" 1
517 1 56 TYR HA 1 59 ILE MD . . 3.500 3.352 3.310 3.396 . 0 0 "[ . 1 . 2]" 1
518 1 56 TYR HA 1 60 MET H . . 3.500 3.601 3.586 3.620 0.120 4 0 "[ . 1 . 2]" 1
519 1 56 TYR QB 1 59 ILE HB . . 5.500 4.785 4.748 4.831 . 0 0 "[ . 1 . 2]" 1
520 1 56 TYR QB 1 59 ILE MD . . 4.500 4.518 4.485 4.540 0.040 20 0 "[ . 1 . 2]" 1
521 1 56 TYR HB2 1 56 TYR QD . . 2.700 2.380 2.322 2.483 . 0 0 "[ . 1 . 2]" 1
522 1 56 TYR HB2 1 56 TYR QE . . 4.500 4.346 4.329 4.358 . 0 0 "[ . 1 . 2]" 1
523 1 56 TYR HB2 1 60 MET ME . . 4.500 4.655 4.633 4.693 0.193 3 0 "[ . 1 . 2]" 1
524 1 56 TYR HB3 1 56 TYR QD . . 2.700 2.405 2.337 2.466 . 0 0 "[ . 1 . 2]" 1
525 1 56 TYR HB3 1 56 TYR QE . . 4.500 4.382 4.372 4.391 . 0 0 "[ . 1 . 2]" 1
526 1 56 TYR HB3 1 60 MET ME . . 5.500 4.819 4.645 4.987 . 0 0 "[ . 1 . 2]" 1
527 1 56 TYR QD 1 57 GLN HG2 . . 3.500 2.757 2.526 3.180 . 0 0 "[ . 1 . 2]" 1
528 1 56 TYR QD 1 60 MET ME . . 4.500 3.151 3.098 3.191 . 0 0 "[ . 1 . 2]" 1
529 1 56 TYR QE 1 57 GLN HG2 . . 5.500 4.414 4.072 4.956 . 0 0 "[ . 1 . 2]" 1
530 1 56 TYR QE 1 60 MET ME . . 4.500 2.640 2.530 2.690 . 0 0 "[ . 1 . 2]" 1
531 1 57 GLN H 1 57 GLN HB2 . . 2.700 2.374 2.358 2.386 . 0 0 "[ . 1 . 2]" 1
532 1 57 GLN H 1 57 GLN QG . . 3.500 2.595 2.562 2.626 . 0 0 "[ . 1 . 2]" 1
533 1 57 GLN H 1 58 MET H . . 3.500 2.773 2.755 2.789 . 0 0 "[ . 1 . 2]" 1
534 1 57 GLN H 1 59 ILE H . . 4.500 4.413 4.384 4.441 . 0 0 "[ . 1 . 2]" 1
535 1 57 GLN HA 1 57 GLN HB3 . . 2.700 2.598 2.587 2.616 . 0 0 "[ . 1 . 2]" 1
536 1 57 GLN HA 1 57 GLN QG . . 3.500 2.722 2.686 2.764 . 0 0 "[ . 1 . 2]" 1
537 1 57 GLN HA 1 58 MET H . . 4.500 3.586 3.578 3.595 . 0 0 "[ . 1 . 2]" 1
538 1 57 GLN HA 1 59 ILE H . . 5.500 4.719 4.682 4.766 . 0 0 "[ . 1 . 2]" 1
539 1 57 GLN HA 1 60 MET H . . 3.500 3.542 3.521 3.566 0.066 9 0 "[ . 1 . 2]" 1
540 1 57 GLN HA 1 60 MET QB . . 2.700 2.561 2.481 2.662 . 0 0 "[ . 1 . 2]" 1
541 1 57 GLN HA 1 60 MET ME . . 4.500 4.295 4.036 4.496 . 0 0 "[ . 1 . 2]" 1
542 1 57 GLN HA 1 61 SER H . . 4.500 3.899 3.820 3.960 . 0 0 "[ . 1 . 2]" 1
543 1 58 MET H 1 58 MET HB2 . . 2.700 2.535 2.449 2.572 . 0 0 "[ . 1 . 2]" 1
544 1 58 MET H 1 58 MET HB3 . . 2.700 2.371 2.328 2.443 . 0 0 "[ . 1 . 2]" 1
545 1 58 MET H 1 59 ILE H . . 3.500 2.785 2.764 2.809 . 0 0 "[ . 1 . 2]" 1
546 1 58 MET H 1 60 MET H . . 4.500 4.016 3.963 4.058 . 0 0 "[ . 1 . 2]" 1
547 1 58 MET HA 1 58 MET HB2 . . 2.700 2.424 2.383 2.465 . 0 0 "[ . 1 . 2]" 1
548 1 58 MET HA 1 58 MET QG . . 3.500 2.509 2.443 2.574 . 0 0 "[ . 1 . 2]" 1
549 1 58 MET HA 1 59 ILE H . . 3.500 3.606 3.598 3.614 0.114 10 0 "[ . 1 . 2]" 1
550 1 58 MET HA 1 61 SER QB . . 2.700 2.720 2.692 2.773 0.073 16 0 "[ . 1 . 2]" 1
551 1 58 MET QB 1 59 ILE HA . . 4.500 4.398 4.298 4.490 . 0 0 "[ . 1 . 2]" 1
552 1 58 MET QB 1 59 ILE MD . . 4.500 4.351 4.249 4.477 . 0 0 "[ . 1 . 2]" 1
553 1 58 MET QB 1 59 ILE MG . . 5.500 5.282 5.200 5.371 . 0 0 "[ . 1 . 2]" 1
554 1 58 MET QB 1 61 SER QB . . 4.500 4.543 4.496 4.573 0.073 18 0 "[ . 1 . 2]" 1
555 1 58 MET ME 1 59 ILE MD . . 3.500 3.174 2.890 3.502 0.002 13 0 "[ . 1 . 2]" 1
556 1 59 ILE H 1 59 ILE HB . . 2.700 2.307 2.278 2.341 . 0 0 "[ . 1 . 2]" 1
557 1 59 ILE H 1 59 ILE QG . . 2.700 2.269 2.229 2.296 . 0 0 "[ . 1 . 2]" 1
558 1 59 ILE H 1 59 ILE MG . . 3.500 3.695 3.680 3.709 0.209 10 0 "[ . 1 . 2]" 1
559 1 59 ILE H 1 60 MET H . . 3.500 2.601 2.568 2.630 . 0 0 "[ . 1 . 2]" 1
560 1 59 ILE HA 1 59 ILE MD . . 4.500 3.870 3.848 3.891 . 0 0 "[ . 1 . 2]" 1
561 1 59 ILE HA 1 59 ILE QG . . 2.700 2.425 2.398 2.449 . 0 0 "[ . 1 . 2]" 1
562 1 59 ILE HA 1 59 ILE MG . . 3.500 2.519 2.495 2.562 . 0 0 "[ . 1 . 2]" 1
563 1 59 ILE HA 1 60 MET H . . 3.500 3.589 3.582 3.594 0.094 13 0 "[ . 1 . 2]" 1
564 1 59 ILE HA 1 61 SER H . . 4.500 4.390 4.283 4.503 0.003 20 0 "[ . 1 . 2]" 1
565 1 59 ILE HA 1 62 GLU H . . 3.500 3.343 3.243 3.417 . 0 0 "[ . 1 . 2]" 1
566 1 59 ILE HA 1 62 GLU QB . . 2.700 2.692 2.580 2.757 0.057 2 0 "[ . 1 . 2]" 1
567 1 59 ILE HA 1 63 TYR H . . 4.500 3.936 3.847 4.012 . 0 0 "[ . 1 . 2]" 1
568 1 59 ILE HB 1 59 ILE MD . . 3.500 2.366 2.348 2.382 . 0 0 "[ . 1 . 2]" 1
569 1 59 ILE MD 1 62 GLU QB . . 5.500 5.529 5.495 5.556 0.056 19 0 "[ . 1 . 2]" 1
570 1 59 ILE MG 1 60 MET HA . . 5.500 3.620 3.570 3.663 . 0 0 "[ . 1 . 2]" 1
571 1 59 ILE MG 1 62 GLU QB . . 4.500 3.634 3.555 3.728 . 0 0 "[ . 1 . 2]" 1
572 1 60 MET H 1 60 MET HB2 . . 2.700 2.383 2.350 2.407 . 0 0 "[ . 1 . 2]" 1
573 1 60 MET H 1 60 MET HB3 . . 2.700 2.755 2.745 2.765 0.065 4 0 "[ . 1 . 2]" 1
574 1 60 MET H 1 61 SER H . . 3.500 2.726 2.669 2.778 . 0 0 "[ . 1 . 2]" 1
575 1 60 MET H 1 62 GLU H . . 4.500 4.255 4.144 4.339 . 0 0 "[ . 1 . 2]" 1
576 1 60 MET H 1 63 TYR H . . 4.500 4.567 4.532 4.596 0.096 14 0 "[ . 1 . 2]" 1
577 1 60 MET HA 1 60 MET HB2 . . 2.700 2.523 2.508 2.536 . 0 0 "[ . 1 . 2]" 1
578 1 60 MET HA 1 60 MET QG . . 3.500 2.146 2.129 2.165 . 0 0 "[ . 1 . 2]" 1
579 1 60 MET HA 1 61 SER H . . 3.500 3.547 3.537 3.569 0.069 5 0 "[ . 1 . 2]" 1
580 1 60 MET HA 1 63 TYR QB . . 3.500 2.005 1.957 2.046 . 0 0 "[ . 1 . 2]" 1
581 1 60 MET HA 1 63 TYR QD . . 5.500 3.310 3.164 3.520 . 0 0 "[ . 1 . 2]" 1
582 1 60 MET HA 1 63 TYR QE . . 5.500 5.348 5.183 5.480 . 0 0 "[ . 1 . 2]" 1
583 1 60 MET HB2 1 63 TYR HB2 . . 5.500 5.402 5.222 5.513 0.013 11 0 "[ . 1 . 2]" 1
584 1 60 MET HB2 1 63 TYR HB3 . . 4.500 4.469 4.381 4.525 0.025 13 0 "[ . 1 . 2]" 1
585 1 60 MET ME 1 63 TYR HB2 . . 5.500 5.358 5.294 5.424 . 0 0 "[ . 1 . 2]" 1
586 1 60 MET ME 1 63 TYR HB3 . . 4.500 4.637 4.592 4.680 0.180 16 0 "[ . 1 . 2]" 1
587 1 60 MET ME 1 63 TYR QD . . 4.500 4.076 3.897 4.331 . 0 0 "[ . 1 . 2]" 1
588 1 60 MET ME 1 63 TYR QE . . 4.500 4.550 4.509 4.584 0.084 8 0 "[ . 1 . 2]" 1
589 1 60 MET QG 1 63 TYR HB2 . . 5.500 4.311 4.137 4.440 . 0 0 "[ . 1 . 2]" 1
590 1 60 MET QG 1 63 TYR HB3 . . 5.500 3.055 2.918 3.157 . 0 0 "[ . 1 . 2]" 1
591 1 61 SER H 1 61 SER HB2 . . 2.700 2.456 2.331 2.491 . 0 0 "[ . 1 . 2]" 1
592 1 61 SER H 1 62 GLU H . . 3.500 2.803 2.754 2.864 . 0 0 "[ . 1 . 2]" 1
593 1 61 SER H 1 63 TYR H . . 4.500 4.173 4.111 4.269 . 0 0 "[ . 1 . 2]" 1
594 1 61 SER HA 1 62 GLU H . . 4.500 3.602 3.569 3.624 . 0 0 "[ . 1 . 2]" 1
595 1 61 SER HA 1 64 ASN QB . . 3.500 3.116 2.861 3.479 . 0 0 "[ . 1 . 2]" 1
596 1 62 GLU H 1 63 TYR H . . 3.500 2.699 2.530 2.798 . 0 0 "[ . 1 . 2]" 1
597 1 62 GLU H 1 64 ASN H . . 5.500 4.322 4.195 4.458 . 0 0 "[ . 1 . 2]" 1
598 1 62 GLU HA 1 63 TYR H . . 3.500 3.558 3.551 3.566 0.066 18 0 "[ . 1 . 2]" 1
599 1 62 GLU HA 1 64 ASN H . . 4.500 4.564 4.534 4.594 0.094 17 0 "[ . 1 . 2]" 1
600 1 62 GLU HA 1 65 LEU QB . . 3.500 2.852 2.502 3.522 0.022 6 0 "[ . 1 . 2]" 1
601 1 63 TYR H 1 63 TYR HB2 . . 2.700 2.543 2.488 2.598 . 0 0 "[ . 1 . 2]" 1
602 1 63 TYR H 1 63 TYR HB3 . . 2.700 2.404 2.344 2.465 . 0 0 "[ . 1 . 2]" 1
603 1 63 TYR H 1 65 LEU H . . 4.500 4.340 4.186 4.514 0.014 20 0 "[ . 1 . 2]" 1
604 1 63 TYR HA 1 63 TYR HB2 . . 2.700 2.427 2.406 2.457 . 0 0 "[ . 1 . 2]" 1
605 1 63 TYR HA 1 63 TYR QD . . 3.500 2.749 2.565 3.045 . 0 0 "[ . 1 . 2]" 1
606 1 63 TYR HA 1 64 ASN H . . 3.500 3.555 3.542 3.562 0.062 3 0 "[ . 1 . 2]" 1
607 1 63 TYR HA 1 66 TYR QB . . 3.500 3.078 2.509 3.534 0.034 20 0 "[ . 1 . 2]" 1
608 1 63 TYR QB 1 64 ASN HA . . 5.500 4.223 4.119 4.311 . 0 0 "[ . 1 . 2]" 1
609 1 63 TYR QR 1 64 ASN HA . . 5.500 3.391 3.115 3.557 . 0 0 "[ . 1 . 2]" 1
610 1 63 TYR QD 1 64 ASN HA . . 4.500 3.503 3.175 3.716 . 0 0 "[ . 1 . 2]" 1
611 1 63 TYR QD 1 67 ARG QB . . 5.500 4.388 3.367 4.906 . 0 0 "[ . 1 . 2]" 1
612 1 63 TYR QD 1 67 ARG QD . . 5.500 3.637 3.217 4.170 . 0 0 "[ . 1 . 2]" 1
613 1 63 TYR QD 1 67 ARG QG . . 5.500 4.438 3.351 5.512 0.012 20 0 "[ . 1 . 2]" 1
614 1 63 TYR QE 1 64 ASN HA . . 4.500 4.548 4.513 4.608 0.108 8 0 "[ . 1 . 2]" 1
615 1 63 TYR QE 1 67 ARG QB . . 5.500 4.446 3.569 4.983 . 0 0 "[ . 1 . 2]" 1
616 1 63 TYR QE 1 67 ARG QD . . 5.500 2.874 2.518 3.624 . 0 0 "[ . 1 . 2]" 1
617 1 63 TYR QE 1 67 ARG QG . . 5.500 3.980 2.867 4.941 . 0 0 "[ . 1 . 2]" 1
618 1 64 ASN H 1 64 ASN HB2 . . 2.700 2.516 2.404 2.571 . 0 0 "[ . 1 . 2]" 1
619 1 64 ASN H 1 64 ASN HB3 . . 3.500 2.494 2.437 2.615 . 0 0 "[ . 1 . 2]" 1
620 1 64 ASN H 1 65 LEU H . . 3.500 2.673 2.576 2.863 . 0 0 "[ . 1 . 2]" 1
621 1 64 ASN H 1 66 TYR H . . 5.500 4.339 4.168 4.803 . 0 0 "[ . 1 . 2]" 1
622 1 64 ASN HA 1 65 LEU H . . 3.500 3.554 3.513 3.574 0.074 15 0 "[ . 1 . 2]" 1
623 1 64 ASN HA 1 66 TYR H . . 5.500 4.635 4.476 4.836 . 0 0 "[ . 1 . 2]" 1
624 1 64 ASN HA 1 67 ARG H . . 5.500 3.498 3.175 3.914 . 0 0 "[ . 1 . 2]" 1
625 1 64 ASN HA 1 67 ARG HA . . 5.500 5.335 4.744 5.592 0.092 20 0 "[ . 1 . 2]" 1
626 1 64 ASN HA 1 67 ARG QB . . 3.500 2.494 2.065 2.991 . 0 0 "[ . 1 . 2]" 1
627 1 64 ASN HA 1 67 ARG QD . . 4.500 3.697 2.775 4.556 0.056 4 0 "[ . 1 . 2]" 1
628 1 64 ASN HA 1 67 ARG QG . . 4.500 3.906 2.822 4.517 0.017 17 0 "[ . 1 . 2]" 1
629 1 65 LEU H 1 65 LEU HB2 . . 2.700 2.477 2.365 2.571 . 0 0 "[ . 1 . 2]" 1
630 1 65 LEU H 1 65 LEU HB3 . . 2.700 2.463 2.390 2.532 . 0 0 "[ . 1 . 2]" 1
631 1 65 LEU H 1 67 ARG H . . 5.500 4.130 3.641 4.368 . 0 0 "[ . 1 . 2]" 1
632 1 65 LEU HA 1 65 LEU HB2 . . 2.700 2.463 2.428 2.519 . 0 0 "[ . 1 . 2]" 1
633 1 65 LEU HA 1 65 LEU HG . . 3.500 3.003 2.458 3.643 0.143 15 0 "[ . 1 . 2]" 1
634 1 65 LEU HA 1 66 TYR H . . 3.500 3.580 3.553 3.597 0.097 3 0 "[ . 1 . 2]" 1
635 1 65 LEU HA 1 67 ARG H . . 5.500 4.525 4.239 4.743 . 0 0 "[ . 1 . 2]" 1
636 1 65 LEU HA 1 68 ASN H . . 5.500 3.716 3.332 4.494 . 0 0 "[ . 1 . 2]" 1
637 1 65 LEU HA 1 68 ASN QB . . 4.500 3.009 2.321 4.479 . 0 0 "[ . 1 . 2]" 1
638 1 65 LEU QD 1 66 TYR HA . . 4.500 3.814 2.867 4.448 . 0 0 "[ . 1 . 2]" 1
639 1 66 TYR H 1 67 ARG H . . 3.500 2.753 2.460 2.895 . 0 0 "[ . 1 . 2]" 1
640 1 66 TYR HA 1 67 ARG H . . 3.500 3.554 3.477 3.575 0.075 9 0 "[ . 1 . 2]" 1
641 1 66 TYR HA 1 69 ALA MB . . 2.700 2.619 2.189 2.832 0.132 6 0 "[ . 1 . 2]" 1
642 1 67 ARG H 1 68 ASN H . . 3.500 2.865 2.760 3.005 . 0 0 "[ . 1 . 2]" 1
643 1 67 ARG H 1 69 ALA H . . 5.500 4.246 4.088 4.388 . 0 0 "[ . 1 . 2]" 1
644 1 67 ARG HA 1 68 ASN H . . 4.500 3.571 3.524 3.611 . 0 0 "[ . 1 . 2]" 1
645 1 67 ARG HA 1 70 GLN QB . . 5.500 2.620 2.141 3.205 . 0 0 "[ . 1 . 2]" 1
646 1 67 ARG HA 1 70 GLN QG . . 4.500 4.101 3.570 4.531 0.031 20 0 "[ . 1 . 2]" 1
647 1 68 ASN H 1 68 ASN HB2 . . 2.700 2.485 2.299 2.566 . 0 0 "[ . 1 . 2]" 1
648 1 68 ASN H 1 69 ALA H . . 3.500 2.783 2.696 2.873 . 0 0 "[ . 1 . 2]" 1
649 1 68 ASN HA 1 69 ALA H . . 3.500 3.550 3.483 3.572 0.072 10 0 "[ . 1 . 2]" 1
650 1 68 ASN HA 1 69 ALA HA . . 4.500 4.663 4.637 4.675 0.175 18 0 "[ . 1 . 2]" 1
651 1 68 ASN HA 1 70 GLN H . . 5.500 4.611 4.351 4.928 . 0 0 "[ . 1 . 2]" 1
652 1 68 ASN HA 1 71 SER QB . . 3.500 2.956 2.378 3.517 0.017 8 0 "[ . 1 . 2]" 1
653 1 69 ALA H 1 70 GLN H . . 4.500 2.707 2.328 2.885 . 0 0 "[ . 1 . 2]" 1
654 1 69 ALA HA 1 72 SER QB . . 3.500 2.848 2.114 3.552 0.052 6 0 "[ . 1 . 2]" 1
655 1 70 GLN H 1 70 GLN HB2 . . 2.700 2.433 2.243 2.546 . 0 0 "[ . 1 . 2]" 1
656 1 70 GLN H 1 70 GLN HB3 . . 2.700 2.506 2.427 2.720 0.020 14 0 "[ . 1 . 2]" 1
657 1 70 GLN H 1 71 SER H . . 4.500 2.836 2.758 2.946 . 0 0 "[ . 1 . 2]" 1
658 1 70 GLN HA 1 70 GLN HB2 . . 2.700 2.484 2.448 2.587 . 0 0 "[ . 1 . 2]" 1
659 1 70 GLN HA 1 70 GLN QG . . 3.500 2.944 2.399 3.090 . 0 0 "[ . 1 . 2]" 1
660 1 70 GLN HA 1 73 ALA MB . . 3.500 2.913 2.105 3.504 0.004 8 0 "[ . 1 . 2]" 1
661 1 70 GLN QG 1 74 VAL QG . . 4.500 3.162 2.125 4.224 . 0 0 "[ . 1 . 2]" 1
662 1 71 SER H 1 71 SER HB2 . . 2.700 2.527 2.430 2.590 . 0 0 "[ . 1 . 2]" 1
663 1 71 SER HA 1 74 VAL HB . . 3.500 2.765 2.136 3.536 0.036 20 0 "[ . 1 . 2]" 1
664 1 72 SER H 1 72 SER HB2 . . 2.700 2.484 2.327 2.566 . 0 0 "[ . 1 . 2]" 1
665 1 72 SER HA 1 75 LYS QB . . 3.500 3.002 2.310 3.535 0.035 3 0 "[ . 1 . 2]" 1
666 1 73 ALA HA 1 74 VAL H . . 3.500 3.571 3.531 3.594 0.094 1 0 "[ . 1 . 2]" 1
667 1 73 ALA HA 1 76 SER QB . . 3.500 3.120 2.299 3.550 0.050 18 0 "[ . 1 . 2]" 1
668 1 74 VAL H 1 74 VAL HB . . 2.700 2.270 2.141 2.562 . 0 0 "[ . 1 . 2]" 1
669 1 74 VAL H 1 74 VAL MG1 . . 3.500 3.668 3.621 3.722 0.222 6 0 "[ . 1 . 2]" 1
670 1 74 VAL H 1 74 VAL MG2 . . 2.700 2.323 1.954 2.608 . 0 0 "[ . 1 . 2]" 1
671 1 74 VAL HA 1 74 VAL MG1 . . 2.700 2.552 2.289 2.713 0.013 2 0 "[ . 1 . 2]" 1
672 1 74 VAL HA 1 74 VAL MG2 . . 2.700 2.316 2.239 2.518 . 0 0 "[ . 1 . 2]" 1
673 1 74 VAL HA 1 77 MET QB . . 3.500 2.924 2.082 3.622 0.122 9 0 "[ . 1 . 2]" 1
674 1 76 SER HA 1 79 ASP QB . . 3.500 3.435 2.226 3.574 0.074 18 0 "[ . 1 . 2]" 1
675 1 77 MET HA 1 80 ILE HB . . 3.500 2.922 2.262 3.527 0.027 6 0 "[ . 1 . 2]" 1
676 1 78 LYS HA 1 81 ASP QB . . 3.500 2.521 2.101 3.507 0.007 3 0 "[ . 1 . 2]" 1
677 1 79 ASP HA 1 82 SER QB . . 3.500 3.074 2.470 3.535 0.035 3 0 "[ . 1 . 2]" 1
678 1 80 ILE HA 1 81 ASP H . . 3.500 3.561 3.539 3.582 0.082 3 0 "[ . 1 . 2]" 1
679 1 80 ILE HA 1 83 SER QB . . 4.500 3.569 2.313 4.541 0.041 14 0 "[ . 1 . 2]" 1
680 1 80 ILE HB 1 81 ASP HA . . 4.500 4.417 4.087 4.559 0.059 14 0 "[ . 1 . 2]" 1
681 1 81 ASP HA 1 82 SER H . . 3.500 3.517 3.436 3.566 0.066 14 0 "[ . 1 . 2]" 1
682 1 81 ASP HA 1 84 ILE HB . . 4.500 4.190 2.832 4.546 0.046 6 0 "[ . 1 . 2]" 1
683 1 82 SER H 1 83 SER H . . 5.500 2.637 1.887 2.959 . 0 0 "[ . 1 . 2]" 1
684 1 83 SER H 1 84 ILE H . . 4.500 2.640 1.985 3.983 . 0 0 "[ . 1 . 2]" 1
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