NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394619 |
1r8u   |
5987 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1r8u
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 1470
_Distance_constraint_stats_list.Viol_count 3462
_Distance_constraint_stats_list.Viol_total 2450.660
_Distance_constraint_stats_list.Viol_max 0.885
_Distance_constraint_stats_list.Viol_rms 0.0193
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0354
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 THR 0.014 0.009 17 0 "[ . 1 . 2]"
1 2 ASP 0.014 0.009 17 0 "[ . 1 . 2]"
1 3 PHE 0.635 0.060 8 0 "[ . 1 . 2]"
1 4 ILE 2.492 0.087 15 0 "[ . 1 . 2]"
1 5 ASP 1.593 0.083 17 0 "[ . 1 . 2]"
1 6 GLU 0.994 0.078 10 0 "[ . 1 . 2]"
1 7 GLU 0.134 0.073 18 0 "[ . 1 . 2]"
1 8 VAL 2.350 0.083 17 0 "[ . 1 . 2]"
1 9 LEU 1.485 0.094 10 0 "[ . 1 . 2]"
1 10 MET 2.355 0.078 10 0 "[ . 1 . 2]"
1 11 SER 1.695 0.074 5 0 "[ . 1 . 2]"
1 12 LEU 1.571 0.066 10 0 "[ . 1 . 2]"
1 13 VAL 2.952 0.078 3 0 "[ . 1 . 2]"
1 14 ILE 2.595 0.075 9 0 "[ . 1 . 2]"
1 15 GLU 0.979 0.066 10 0 "[ . 1 . 2]"
1 16 MET 2.570 0.099 15 0 "[ . 1 . 2]"
1 17 GLY 4.651 0.262 20 0 "[ . 1 . 2]"
1 18 LEU 2.317 0.164 7 0 "[ . 1 . 2]"
1 19 ASP 0.347 0.071 14 0 "[ . 1 . 2]"
1 20 ARG 0.193 0.057 19 0 "[ . 1 . 2]"
1 21 ILE 1.963 0.164 7 0 "[ . 1 . 2]"
1 22 LYS 1.178 0.109 13 0 "[ . 1 . 2]"
1 23 GLU 1.742 0.137 20 0 "[ . 1 . 2]"
1 24 LEU 2.780 0.137 20 0 "[ . 1 . 2]"
1 25 PRO 1.818 0.096 16 0 "[ . 1 . 2]"
1 26 GLU 1.490 0.071 8 0 "[ . 1 . 2]"
1 27 LEU 3.043 0.122 7 0 "[ . 1 . 2]"
1 28 TRP 4.679 0.118 12 0 "[ . 1 . 2]"
1 29 LEU 0.017 0.011 4 0 "[ . 1 . 2]"
1 30 GLY 0.131 0.027 19 0 "[ . 1 . 2]"
1 31 GLN 1.225 0.064 15 0 "[ . 1 . 2]"
1 32 ASN 0.643 0.092 12 0 "[ . 1 . 2]"
1 33 GLU 3.718 0.107 4 0 "[ . 1 . 2]"
1 34 PHE 5.092 0.086 19 0 "[ . 1 . 2]"
1 35 ASP 3.253 0.108 4 0 "[ . 1 . 2]"
1 36 PHE 4.008 0.119 7 0 "[ . 1 . 2]"
1 37 MET 1.298 0.122 13 0 "[ . 1 . 2]"
1 38 THR 3.513 0.121 13 0 "[ . 1 . 2]"
1 39 ASP 0.425 0.121 13 0 "[ . 1 . 2]"
1 40 PHE 0.244 0.072 10 0 "[ . 1 . 2]"
1 41 VAL 0.299 0.066 13 0 "[ . 1 . 2]"
1 42 CYS 0.665 0.066 13 0 "[ . 1 . 2]"
1 43 LYS 0.084 0.044 10 0 "[ . 1 . 2]"
1 44 GLN 0.068 0.035 13 0 "[ . 1 . 2]"
1 45 GLN 1.277 0.131 18 0 "[ . 1 . 2]"
1 46 PRO 2.133 0.146 9 0 "[ . 1 . 2]"
1 47 SER 0.587 0.146 9 0 "[ . 1 . 2]"
1 48 ARG 0.232 0.077 15 0 "[ . 1 . 2]"
1 49 VAL 0.629 0.113 5 0 "[ . 1 . 2]"
1 50 SER 0.292 0.066 9 0 "[ . 1 . 2]"
2 1 ALA 0.106 0.030 19 0 "[ . 1 . 2]"
2 2 THR 0.254 0.082 18 0 "[ . 1 . 2]"
2 3 GLY 5.649 0.885 5 6 "[ -+ 1* *.** 2]"
2 4 PRO 6.212 0.885 5 6 "[ -+ 1* *.** 2]"
2 5 THR 1.062 0.100 10 0 "[ . 1 . 2]"
2 6 ALA 1.301 0.100 10 0 "[ . 1 . 2]"
2 7 ASP 1.170 0.116 1 0 "[ . 1 . 2]"
2 8 PRO 1.437 0.116 1 0 "[ . 1 . 2]"
2 9 GLU 2.142 0.134 8 0 "[ . 1 . 2]"
2 10 LYS 1.373 0.134 8 0 "[ . 1 . 2]"
2 11 ARG 2.673 0.149 4 0 "[ . 1 . 2]"
2 12 LYS 3.320 0.149 4 0 "[ . 1 . 2]"
2 13 LEU 1.677 0.096 16 0 "[ . 1 . 2]"
2 14 ILE 0.751 0.058 9 0 "[ . 1 . 2]"
2 15 GLN 2.815 0.122 14 0 "[ . 1 . 2]"
2 16 GLN 2.178 0.136 14 0 "[ . 1 . 2]"
2 17 GLN 0.056 0.049 8 0 "[ . 1 . 2]"
2 18 LEU 0.389 0.053 10 0 "[ . 1 . 2]"
2 19 VAL 0.894 0.053 1 0 "[ . 1 . 2]"
2 20 LEU 4.466 0.112 13 0 "[ . 1 . 2]"
2 21 LEU 2.284 0.079 19 0 "[ . 1 . 2]"
2 22 LEU 1.772 0.083 11 0 "[ . 1 . 2]"
2 23 HIS 2.150 0.112 13 0 "[ . 1 . 2]"
2 24 ALA 1.743 0.111 17 0 "[ . 1 . 2]"
2 25 HIS 0.580 0.109 6 0 "[ . 1 . 2]"
2 26 LYS 3.800 0.164 10 0 "[ . 1 . 2]"
2 27 CYS 0.320 0.108 11 0 "[ . 1 . 2]"
2 29 ARG 0.757 0.197 18 0 "[ . 1 . 2]"
2 30 ARG 1.225 0.108 11 0 "[ . 1 . 2]"
2 31 GLU 1.130 0.113 15 0 "[ . 1 . 2]"
2 32 GLN 1.862 0.129 14 0 "[ . 1 . 2]"
2 33 ALA 1.119 0.067 14 0 "[ . 1 . 2]"
2 34 ASN 0.372 0.129 14 0 "[ . 1 . 2]"
2 35 GLY 0.376 0.067 14 0 "[ . 1 . 2]"
2 36 GLU 0.011 0.011 2 0 "[ . 1 . 2]"
2 37 VAL 0.756 0.097 18 0 "[ . 1 . 2]"
2 38 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 39 ALA 0.043 0.032 2 0 "[ . 1 . 2]"
2 40 CYS 0.258 0.118 13 0 "[ . 1 . 2]"
2 41 SER 0.118 0.118 13 0 "[ . 1 . 2]"
2 42 LEU 1.433 0.083 14 0 "[ . 1 . 2]"
2 44 HIS 1.349 0.082 16 0 "[ . 1 . 2]"
2 46 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 47 THR 2.318 0.072 16 0 "[ . 1 . 2]"
2 48 MET 1.804 0.061 5 0 "[ . 1 . 2]"
2 49 LYS 4.213 0.182 16 0 "[ . 1 . 2]"
2 50 ASN 2.763 0.062 14 0 "[ . 1 . 2]"
2 51 VAL 2.562 0.063 19 0 "[ . 1 . 2]"
2 52 LEU 4.914 0.093 14 0 "[ . 1 . 2]"
2 53 ASN 2.059 0.128 5 0 "[ . 1 . 2]"
2 54 HIS 0.587 0.128 5 0 "[ . 1 . 2]"
2 55 MET 3.753 0.097 2 0 "[ . 1 . 2]"
2 56 THR 0.222 0.025 18 0 "[ . 1 . 2]"
2 57 HIS 0.298 0.029 11 0 "[ . 1 . 2]"
2 58 CYS 0.500 0.053 16 0 "[ . 1 . 2]"
2 59 GLN 0.037 0.037 11 0 "[ . 1 . 2]"
2 60 ALA 1.249 0.071 16 0 "[ . 1 . 2]"
2 61 GLY 0.303 0.060 10 0 "[ . 1 . 2]"
2 62 LYS 2.494 0.118 12 0 "[ . 1 . 2]"
2 63 ALA 0.526 0.060 10 0 "[ . 1 . 2]"
2 64 CYS 1.231 0.071 16 0 "[ . 1 . 2]"
2 65 GLN 2.218 0.092 7 0 "[ . 1 . 2]"
2 66 VAL 2.337 0.073 3 0 "[ . 1 . 2]"
2 67 ALA 1.276 0.056 11 0 "[ . 1 . 2]"
2 68 HIS 0.385 0.031 16 0 "[ . 1 . 2]"
2 69 CYS 2.102 0.073 3 0 "[ . 1 . 2]"
2 70 ALA 2.159 0.093 16 0 "[ . 1 . 2]"
2 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 72 SER 0.926 0.052 1 0 "[ . 1 . 2]"
2 73 ARG 2.348 0.097 2 0 "[ . 1 . 2]"
2 74 GLN 1.012 0.093 16 0 "[ . 1 . 2]"
2 75 ILE 2.708 0.087 7 0 "[ . 1 . 2]"
2 76 ILE 1.079 0.072 2 0 "[ . 1 . 2]"
2 77 SER 0.493 0.057 15 0 "[ . 1 . 2]"
2 78 HIS 0.655 0.076 12 0 "[ . 1 . 2]"
2 79 TRP 0.071 0.016 7 0 "[ . 1 . 2]"
2 80 LYS 1.088 0.072 2 0 "[ . 1 . 2]"
2 81 ASN 1.387 0.102 5 0 "[ . 1 . 2]"
2 82 CYS 0.089 0.054 19 0 "[ . 1 . 2]"
2 83 THR 0.163 0.083 17 0 "[ . 1 . 2]"
2 86 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 87 CYS 0.550 0.053 16 0 "[ . 1 . 2]"
2 88 PRO 1.051 0.051 16 0 "[ . 1 . 2]"
2 89 VAL 2.072 0.058 17 0 "[ . 1 . 2]"
2 90 CYS 0.383 0.049 5 0 "[ . 1 . 2]"
2 91 LEU 3.003 0.062 1 0 "[ . 1 . 2]"
2 92 PRO 2.391 0.062 1 0 "[ . 1 . 2]"
2 93 LEU 2.507 0.094 10 0 "[ . 1 . 2]"
2 94 LYS 0.156 0.031 19 0 "[ . 1 . 2]"
2 95 ASN 1.759 0.053 3 0 "[ . 1 . 2]"
2 96 ALA 0.863 0.059 13 0 "[ . 1 . 2]"
2 97 SER 1.870 0.083 4 0 "[ . 1 . 2]"
2 98 ASP 0.939 0.112 3 0 "[ . 1 . 2]"
2 99 LYS 2.235 0.112 3 0 "[ . 1 . 2]"
2 100 ARG 0.432 0.094 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 THR HA 1 1 THR MG . . 2.700 2.345 2.274 2.425 . 0 0 "[ . 1 . 2]" 1
2 1 1 THR HA 1 2 ASP HA . . 4.500 4.454 4.348 4.509 0.009 17 0 "[ . 1 . 2]" 1
3 1 1 THR HA 1 2 ASP QB . . 4.500 4.122 3.855 4.502 0.002 14 0 "[ . 1 . 2]" 1
4 1 1 THR HA 1 3 PHE H . . 4.500 3.909 3.622 4.288 . 0 0 "[ . 1 . 2]" 1
5 1 2 ASP H 1 2 ASP QB . . 3.500 2.425 2.167 2.952 . 0 0 "[ . 1 . 2]" 1
6 1 2 ASP HA 1 2 ASP QB . . 2.700 2.361 2.160 2.420 . 0 0 "[ . 1 . 2]" 1
7 1 3 PHE H 1 3 PHE QB . . 3.500 2.708 2.190 3.205 . 0 0 "[ . 1 . 2]" 1
8 1 3 PHE H 1 3 PHE QR . . 4.500 3.931 2.635 4.457 . 0 0 "[ . 1 . 2]" 1
9 1 3 PHE H 1 4 ILE H . . 4.500 4.398 4.300 4.560 0.060 8 0 "[ . 1 . 2]" 1
10 1 3 PHE HA 1 3 PHE QB . . 2.700 2.335 2.155 2.463 . 0 0 "[ . 1 . 2]" 1
11 1 3 PHE HA 1 4 ILE H . . 3.500 2.469 2.179 2.735 . 0 0 "[ . 1 . 2]" 1
12 1 3 PHE HA 1 4 ILE HA . . 5.500 4.402 4.294 4.507 . 0 0 "[ . 1 . 2]" 1
13 1 3 PHE HA 1 4 ILE MD . . 5.500 4.451 3.097 5.280 . 0 0 "[ . 1 . 2]" 1
14 1 3 PHE HB2 1 4 ILE H . . 4.500 3.311 2.008 3.867 . 0 0 "[ . 1 . 2]" 1
15 1 3 PHE HB3 1 4 ILE H . . 4.500 3.467 2.968 3.690 . 0 0 "[ . 1 . 2]" 1
16 1 3 PHE QR 1 4 ILE HA . . 5.500 4.443 4.294 4.687 . 0 0 "[ . 1 . 2]" 1
17 1 3 PHE QR 1 4 ILE HB . . 5.500 2.899 2.418 3.581 . 0 0 "[ . 1 . 2]" 1
18 1 3 PHE QR 2 22 LEU MD2 . . 5.500 3.777 2.884 4.464 . 0 0 "[ . 1 . 2]" 1
19 1 3 PHE QR 2 25 HIS QB . . 5.500 5.204 4.357 5.548 0.048 10 0 "[ . 1 . 2]" 1
20 1 3 PHE QR 2 26 LYS HA . . 5.500 5.346 4.264 5.539 0.039 19 0 "[ . 1 . 2]" 1
21 1 3 PHE QR 2 26 LYS QE . . 5.500 2.539 2.209 3.473 . 0 0 "[ . 1 . 2]" 1
22 1 3 PHE QR 2 26 LYS QG . . 4.500 4.023 3.577 4.535 0.035 6 0 "[ . 1 . 2]" 1
23 1 4 ILE H 1 4 ILE HB . . 2.700 2.309 2.196 2.537 . 0 0 "[ . 1 . 2]" 1
24 1 4 ILE H 1 4 ILE MD . . 4.500 2.892 1.942 3.236 . 0 0 "[ . 1 . 2]" 1
25 1 4 ILE H 1 4 ILE HG12 . . 4.500 3.666 3.366 3.811 . 0 0 "[ . 1 . 2]" 1
26 1 4 ILE H 1 4 ILE HG13 . . 3.500 2.276 1.927 2.752 . 0 0 "[ . 1 . 2]" 1
27 1 4 ILE H 1 4 ILE MG . . 4.500 3.713 3.669 3.766 . 0 0 "[ . 1 . 2]" 1
28 1 4 ILE H 1 5 ASP H . . 5.500 4.659 4.622 4.703 . 0 0 "[ . 1 . 2]" 1
29 1 4 ILE HA 1 4 ILE MD . . 4.500 3.863 3.616 3.940 . 0 0 "[ . 1 . 2]" 1
30 1 4 ILE HA 1 5 ASP H . . 2.700 2.310 2.210 2.495 . 0 0 "[ . 1 . 2]" 1
31 1 4 ILE HA 1 8 VAL MG1 . . 4.500 3.420 3.114 3.794 . 0 0 "[ . 1 . 2]" 1
32 1 4 ILE HA 2 26 LYS HE2 . . 5.500 5.464 5.064 5.587 0.087 15 0 "[ . 1 . 2]" 1
33 1 4 ILE HA 2 97 SER HB3 . . 4.500 4.486 4.257 4.583 0.083 4 0 "[ . 1 . 2]" 1
34 1 4 ILE HB 1 8 VAL MG1 . . 5.500 4.852 4.620 5.275 . 0 0 "[ . 1 . 2]" 1
35 1 4 ILE HB 2 22 LEU MD2 . . 5.500 3.499 3.099 4.017 . 0 0 "[ . 1 . 2]" 1
36 1 4 ILE HB 2 26 LYS HE2 . . 4.500 3.953 3.571 4.260 . 0 0 "[ . 1 . 2]" 1
37 1 4 ILE HB 2 26 LYS QE . . 4.500 3.775 3.397 4.044 . 0 0 "[ . 1 . 2]" 1
38 1 4 ILE HB 2 93 LEU MD1 . . 5.500 4.543 4.083 5.071 . 0 0 "[ . 1 . 2]" 1
39 1 4 ILE MD 2 22 LEU HA . . 5.500 5.499 5.165 5.560 0.060 7 0 "[ . 1 . 2]" 1
40 1 4 ILE MD 2 22 LEU MD1 . . 4.500 3.203 2.984 3.591 . 0 0 "[ . 1 . 2]" 1
41 1 4 ILE MD 2 22 LEU MD2 . . 3.500 2.126 2.045 2.280 . 0 0 "[ . 1 . 2]" 1
42 1 4 ILE MD 2 26 LYS HE2 . . 5.500 5.374 4.953 5.568 0.068 17 0 "[ . 1 . 2]" 1
43 1 4 ILE MD 2 26 LYS QE . . 5.500 5.053 4.680 5.367 . 0 0 "[ . 1 . 2]" 1
44 1 4 ILE MD 2 93 LEU MD1 . . 5.500 2.407 2.185 3.324 . 0 0 "[ . 1 . 2]" 1
45 1 4 ILE MD 2 93 LEU MD2 . . 5.500 2.356 2.155 2.980 . 0 0 "[ . 1 . 2]" 1
46 1 4 ILE MD 2 93 LEU HG . . 5.500 2.693 2.451 3.359 . 0 0 "[ . 1 . 2]" 1
47 1 4 ILE MG 1 8 VAL HA . . 5.500 5.041 4.751 5.449 . 0 0 "[ . 1 . 2]" 1
48 1 4 ILE MG 1 8 VAL MG2 . . 4.500 3.654 3.231 4.119 . 0 0 "[ . 1 . 2]" 1
49 1 4 ILE MG 2 22 LEU MD2 . . 4.500 2.626 2.372 3.470 . 0 0 "[ . 1 . 2]" 1
50 1 4 ILE MG 2 26 LYS HE2 . . 3.500 3.434 3.220 3.569 0.069 17 0 "[ . 1 . 2]" 1
51 1 4 ILE MG 2 26 LYS QE . . 5.500 3.082 2.856 3.484 . 0 0 "[ . 1 . 2]" 1
52 1 4 ILE MG 2 93 LEU MD1 . . 5.500 2.720 2.251 3.207 . 0 0 "[ . 1 . 2]" 1
53 1 4 ILE MG 2 93 LEU MD2 . . 5.500 4.043 3.713 4.638 . 0 0 "[ . 1 . 2]" 1
54 1 4 ILE MG 2 93 LEU HG . . 4.500 4.252 3.811 4.554 0.054 17 0 "[ . 1 . 2]" 1
55 1 5 ASP H 1 6 GLU H . . 4.500 4.514 4.476 4.562 0.062 17 0 "[ . 1 . 2]" 1
56 1 5 ASP H 1 7 GLU H . . 5.500 5.125 4.982 5.280 . 0 0 "[ . 1 . 2]" 1
57 1 5 ASP H 1 8 VAL H . . 4.500 3.651 3.423 3.886 . 0 0 "[ . 1 . 2]" 1
58 1 5 ASP H 1 8 VAL MG2 . . 4.500 2.872 2.497 3.295 . 0 0 "[ . 1 . 2]" 1
59 1 5 ASP HA 1 6 GLU H . . 2.700 2.325 2.213 2.424 . 0 0 "[ . 1 . 2]" 1
60 1 5 ASP HA 1 6 GLU HG2 . . 5.500 4.450 4.156 5.068 . 0 0 "[ . 1 . 2]" 1
61 1 5 ASP HA 1 7 GLU H . . 4.500 4.319 4.032 4.573 0.073 18 0 "[ . 1 . 2]" 1
62 1 5 ASP HA 1 8 VAL H . . 5.500 4.520 4.278 4.692 . 0 0 "[ . 1 . 2]" 1
63 1 5 ASP HA 1 8 VAL HB . . 4.500 4.489 4.369 4.574 0.074 7 0 "[ . 1 . 2]" 1
64 1 5 ASP HA 1 8 VAL MG1 . . 5.500 5.527 5.371 5.583 0.083 17 0 "[ . 1 . 2]" 1
65 1 5 ASP HA 1 8 VAL MG2 . . 5.500 4.739 4.478 5.216 . 0 0 "[ . 1 . 2]" 1
66 1 5 ASP HA 1 9 LEU H . . 5.500 5.425 5.243 5.509 0.009 19 0 "[ . 1 . 2]" 1
67 1 5 ASP HA 2 26 LYS HE2 . . 4.500 3.263 2.061 3.824 . 0 0 "[ . 1 . 2]" 1
68 1 6 GLU H 1 6 GLU QB . . 3.500 2.596 2.429 2.781 . 0 0 "[ . 1 . 2]" 1
69 1 6 GLU H 1 6 GLU HG2 . . 3.500 2.314 2.040 2.845 . 0 0 "[ . 1 . 2]" 1
70 1 6 GLU H 1 7 GLU H . . 3.500 2.871 2.712 3.017 . 0 0 "[ . 1 . 2]" 1
71 1 6 GLU H 1 8 VAL H . . 5.500 4.166 4.037 4.307 . 0 0 "[ . 1 . 2]" 1
72 1 6 GLU HA 1 6 GLU QB . . 2.700 2.152 2.118 2.166 . 0 0 "[ . 1 . 2]" 1
73 1 6 GLU HA 1 7 GLU H . . 4.500 3.578 3.521 3.631 . 0 0 "[ . 1 . 2]" 1
74 1 6 GLU HA 1 9 LEU H . . 3.500 3.333 2.933 3.510 0.010 16 0 "[ . 1 . 2]" 1
75 1 6 GLU HA 1 9 LEU QB . . 3.500 3.015 2.542 3.315 . 0 0 "[ . 1 . 2]" 1
76 1 6 GLU HA 1 10 MET H . . 5.500 4.133 3.917 4.278 . 0 0 "[ . 1 . 2]" 1
77 1 6 GLU HA 1 10 MET ME . . 5.500 5.377 4.395 5.559 0.059 2 0 "[ . 1 . 2]" 1
78 1 6 GLU HA 2 26 LYS QE . . 5.500 3.652 3.163 4.257 . 0 0 "[ . 1 . 2]" 1
79 1 6 GLU QB 2 26 LYS QE . . 4.500 3.651 3.160 3.917 . 0 0 "[ . 1 . 2]" 1
80 1 6 GLU QG 2 26 LYS QE . . 4.500 4.474 4.144 4.563 0.063 10 0 "[ . 1 . 2]" 1
81 1 6 GLU HG2 1 7 GLU HA . . 5.500 4.710 3.924 5.178 . 0 0 "[ . 1 . 2]" 1
82 1 6 GLU HG2 1 10 MET QG . . 5.500 5.339 4.635 5.578 0.078 10 0 "[ . 1 . 2]" 1
83 1 7 GLU H 1 7 GLU HG3 . . 2.700 2.463 2.298 2.646 . 0 0 "[ . 1 . 2]" 1
84 1 7 GLU H 1 8 VAL H . . 3.500 2.581 2.466 2.656 . 0 0 "[ . 1 . 2]" 1
85 1 7 GLU H 1 8 VAL HA . . 5.500 5.277 5.203 5.339 . 0 0 "[ . 1 . 2]" 1
86 1 7 GLU H 1 8 VAL MG2 . . 4.500 4.343 4.181 4.504 0.004 7 0 "[ . 1 . 2]" 1
87 1 7 GLU H 1 9 LEU H . . 4.500 4.260 4.067 4.400 . 0 0 "[ . 1 . 2]" 1
88 1 7 GLU HA 1 8 VAL H . . 4.500 3.508 3.472 3.535 . 0 0 "[ . 1 . 2]" 1
89 1 7 GLU HA 1 8 VAL MG2 . . 5.500 5.141 5.087 5.211 . 0 0 "[ . 1 . 2]" 1
90 1 7 GLU HA 1 10 MET H . . 3.500 3.188 2.907 3.384 . 0 0 "[ . 1 . 2]" 1
91 1 7 GLU HA 1 10 MET QB . . 3.500 2.344 2.221 2.518 . 0 0 "[ . 1 . 2]" 1
92 1 7 GLU HA 1 10 MET HG2 . . 4.500 3.509 2.720 3.898 . 0 0 "[ . 1 . 2]" 1
93 1 7 GLU HA 1 11 SER H . . 5.500 3.910 3.760 4.090 . 0 0 "[ . 1 . 2]" 1
94 1 8 VAL H 1 8 VAL HB . . 2.700 2.330 2.249 2.392 . 0 0 "[ . 1 . 2]" 1
95 1 8 VAL H 1 8 VAL MG1 . . 4.500 3.729 3.664 3.775 . 0 0 "[ . 1 . 2]" 1
96 1 8 VAL H 1 8 VAL MG2 . . 2.700 2.581 2.425 2.715 0.015 1 0 "[ . 1 . 2]" 1
97 1 8 VAL H 1 9 LEU H . . 3.500 2.572 2.483 2.671 . 0 0 "[ . 1 . 2]" 1
98 1 8 VAL H 1 10 MET H . . 4.500 3.963 3.890 4.064 . 0 0 "[ . 1 . 2]" 1
99 1 8 VAL HA 1 8 VAL MG1 . . 3.500 2.602 2.551 2.654 . 0 0 "[ . 1 . 2]" 1
100 1 8 VAL HA 1 8 VAL MG2 . . 2.700 2.287 2.207 2.343 . 0 0 "[ . 1 . 2]" 1
101 1 8 VAL HA 1 9 LEU H . . 4.500 3.615 3.599 3.627 . 0 0 "[ . 1 . 2]" 1
102 1 8 VAL HA 1 10 MET H . . 4.500 4.523 4.453 4.571 0.071 20 0 "[ . 1 . 2]" 1
103 1 8 VAL HA 1 11 SER H . . 3.500 3.353 3.161 3.483 . 0 0 "[ . 1 . 2]" 1
104 1 8 VAL HA 1 11 SER HA . . 5.500 5.342 5.135 5.512 0.012 6 0 "[ . 1 . 2]" 1
105 1 8 VAL HA 1 11 SER HB2 . . 2.700 2.666 2.481 2.740 0.040 4 0 "[ . 1 . 2]" 1
106 1 8 VAL HA 1 11 SER QB . . 3.500 2.641 2.461 2.714 . 0 0 "[ . 1 . 2]" 1
107 1 8 VAL HA 1 11 SER HB3 . . 4.500 4.272 4.101 4.388 . 0 0 "[ . 1 . 2]" 1
108 1 8 VAL HA 1 12 LEU H . . 5.500 4.202 4.043 4.315 . 0 0 "[ . 1 . 2]" 1
109 1 8 VAL HA 2 96 ALA HA . . 5.500 5.332 5.046 5.531 0.031 10 0 "[ . 1 . 2]" 1
110 1 8 VAL HA 2 96 ALA MB . . 5.500 3.774 3.596 4.040 . 0 0 "[ . 1 . 2]" 1
111 1 8 VAL HB 1 9 LEU MD1 . . 4.500 3.744 3.413 3.986 . 0 0 "[ . 1 . 2]" 1
112 1 8 VAL HB 2 96 ALA MB . . 5.500 4.724 4.592 4.847 . 0 0 "[ . 1 . 2]" 1
113 1 8 VAL HB 2 97 SER HA . . 5.500 4.067 3.908 4.267 . 0 0 "[ . 1 . 2]" 1
114 1 8 VAL MG1 1 9 LEU MD1 . . 3.500 2.481 2.341 2.665 . 0 0 "[ . 1 . 2]" 1
115 1 8 VAL MG1 2 96 ALA HA . . 4.500 3.830 3.702 3.965 . 0 0 "[ . 1 . 2]" 1
116 1 8 VAL MG1 2 96 ALA MB . . 5.500 2.200 2.068 2.347 . 0 0 "[ . 1 . 2]" 1
117 1 8 VAL MG1 2 97 SER HA . . 4.500 2.256 2.111 2.540 . 0 0 "[ . 1 . 2]" 1
118 1 8 VAL MG1 2 99 LYS QB . . 4.500 3.736 3.436 4.523 0.023 4 0 "[ . 1 . 2]" 1
119 1 8 VAL MG2 1 9 LEU H . . 4.500 4.134 4.044 4.211 . 0 0 "[ . 1 . 2]" 1
120 1 8 VAL MG2 1 11 SER QB . . 5.500 4.090 3.832 4.298 . 0 0 "[ . 1 . 2]" 1
121 1 8 VAL MG2 2 96 ALA HA . . 5.500 4.806 4.637 5.022 . 0 0 "[ . 1 . 2]" 1
122 1 8 VAL MG2 2 96 ALA MB . . 5.500 3.840 3.703 4.023 . 0 0 "[ . 1 . 2]" 1
123 1 8 VAL MG2 2 97 SER HA . . 4.500 2.126 2.002 2.221 . 0 0 "[ . 1 . 2]" 1
124 1 8 VAL MG2 2 99 LYS HA . . 4.500 4.466 4.279 4.575 0.075 10 0 "[ . 1 . 2]" 1
125 1 8 VAL MG2 2 99 LYS QB . . 3.500 2.275 2.006 2.482 . 0 0 "[ . 1 . 2]" 1
126 1 9 LEU H 1 9 LEU QB . . 2.700 2.480 2.379 2.548 . 0 0 "[ . 1 . 2]" 1
127 1 9 LEU H 1 9 LEU MD1 . . 3.500 2.953 2.836 3.104 . 0 0 "[ . 1 . 2]" 1
128 1 9 LEU H 1 9 LEU HG . . 4.500 4.278 4.213 4.345 . 0 0 "[ . 1 . 2]" 1
129 1 9 LEU H 1 10 MET H . . 3.500 2.693 2.647 2.724 . 0 0 "[ . 1 . 2]" 1
130 1 9 LEU H 1 11 SER H . . 4.500 4.088 3.994 4.177 . 0 0 "[ . 1 . 2]" 1
131 1 9 LEU HA 1 9 LEU MD1 . . 2.700 2.083 2.063 2.109 . 0 0 "[ . 1 . 2]" 1
132 1 9 LEU HA 1 9 LEU HG . . 3.500 3.484 3.388 3.556 0.056 7 0 "[ . 1 . 2]" 1
133 1 9 LEU HA 1 12 LEU H . . 3.500 3.122 3.035 3.223 . 0 0 "[ . 1 . 2]" 1
134 1 9 LEU HA 1 12 LEU HB2 . . 3.500 2.653 2.489 2.871 . 0 0 "[ . 1 . 2]" 1
135 1 9 LEU HA 1 12 LEU HB3 . . 3.500 3.409 3.279 3.495 . 0 0 "[ . 1 . 2]" 1
136 1 9 LEU HA 1 13 VAL H . . 5.500 3.984 3.909 4.051 . 0 0 "[ . 1 . 2]" 1
137 1 9 LEU HA 1 13 VAL MG2 . . 4.500 4.120 4.004 4.285 . 0 0 "[ . 1 . 2]" 1
138 1 9 LEU HA 2 19 VAL MG1 . . 4.500 3.214 2.861 3.389 . 0 0 "[ . 1 . 2]" 1
139 1 9 LEU HA 2 19 VAL MG2 . . 5.500 4.177 3.924 4.367 . 0 0 "[ . 1 . 2]" 1
140 1 9 LEU QB 1 10 MET H . . 3.500 2.729 2.637 2.782 . 0 0 "[ . 1 . 2]" 1
141 1 9 LEU QD 2 19 VAL HA . . 5.500 2.978 2.588 3.246 . 0 0 "[ . 1 . 2]" 1
142 1 9 LEU QD 2 19 VAL HB . . 5.500 5.176 4.811 5.366 . 0 0 "[ . 1 . 2]" 1
143 1 9 LEU QD 2 19 VAL MG1 . . 5.500 3.125 2.770 3.367 . 0 0 "[ . 1 . 2]" 1
144 1 9 LEU QD 2 19 VAL MG2 . . 5.500 3.351 3.053 3.484 . 0 0 "[ . 1 . 2]" 1
145 1 9 LEU QD 2 22 LEU HB2 . . 5.500 2.646 2.488 2.784 . 0 0 "[ . 1 . 2]" 1
146 1 9 LEU QD 2 22 LEU HB3 . . 5.500 2.030 1.957 2.190 . 0 0 "[ . 1 . 2]" 1
147 1 9 LEU QD 2 22 LEU MD2 . . 5.500 2.621 2.454 2.885 . 0 0 "[ . 1 . 2]" 1
148 1 9 LEU QD 2 23 HIS HA . . 3.500 2.432 2.328 2.659 . 0 0 "[ . 1 . 2]" 1
149 1 9 LEU QD 2 23 HIS HB2 . . 4.500 3.501 3.319 3.582 . 0 0 "[ . 1 . 2]" 1
150 1 9 LEU QD 2 23 HIS HB3 . . 4.500 4.503 4.389 4.546 0.046 18 0 "[ . 1 . 2]" 1
151 1 9 LEU QD 2 93 LEU MD1 . . 4.500 2.293 2.222 2.386 . 0 0 "[ . 1 . 2]" 1
152 1 9 LEU QD 2 93 LEU MD2 . . 4.500 3.828 3.758 3.932 . 0 0 "[ . 1 . 2]" 1
153 1 9 LEU QD 2 93 LEU HG . . 4.500 4.419 4.361 4.488 . 0 0 "[ . 1 . 2]" 1
154 1 9 LEU MD1 2 19 VAL HA . . 3.500 2.999 2.597 3.278 . 0 0 "[ . 1 . 2]" 1
155 1 9 LEU MD1 2 19 VAL HB . . 5.500 5.301 4.901 5.513 0.013 13 0 "[ . 1 . 2]" 1
156 1 9 LEU MD1 2 19 VAL MG2 . . 3.500 3.377 3.070 3.512 0.012 17 0 "[ . 1 . 2]" 1
157 1 9 LEU MD1 2 22 LEU HB2 . . 3.500 2.725 2.546 2.857 . 0 0 "[ . 1 . 2]" 1
158 1 9 LEU MD1 2 22 LEU HB3 . . 3.500 2.250 2.162 2.340 . 0 0 "[ . 1 . 2]" 1
159 1 9 LEU MD1 2 22 LEU MD2 . . 4.500 2.816 2.603 3.054 . 0 0 "[ . 1 . 2]" 1
160 1 9 LEU MD1 2 26 LYS HG2 . . 5.500 5.384 5.139 5.531 0.031 12 0 "[ . 1 . 2]" 1
161 1 9 LEU MD1 2 93 LEU MD1 . . 2.700 2.308 2.236 2.401 . 0 0 "[ . 1 . 2]" 1
162 1 9 LEU MD1 2 93 LEU HG . . 4.500 4.524 4.462 4.594 0.094 10 0 "[ . 1 . 2]" 1
163 1 9 LEU HG 2 23 HIS HA . . 3.500 3.017 2.693 3.254 . 0 0 "[ . 1 . 2]" 1
164 1 9 LEU HG 2 23 HIS HB2 . . 4.500 3.000 2.682 3.209 . 0 0 "[ . 1 . 2]" 1
165 1 9 LEU HG 2 23 HIS HB3 . . 4.500 4.292 4.061 4.443 . 0 0 "[ . 1 . 2]" 1
166 1 9 LEU HG 2 26 LYS HG2 . . 5.500 5.349 5.069 5.536 0.036 18 0 "[ . 1 . 2]" 1
167 1 9 LEU HG 2 93 LEU MD1 . . 5.500 4.467 4.373 4.566 . 0 0 "[ . 1 . 2]" 1
168 1 10 MET H 1 10 MET QG . . 2.700 2.365 2.256 2.746 0.046 20 0 "[ . 1 . 2]" 1
169 1 10 MET H 1 11 SER H . . 3.500 2.737 2.697 2.785 . 0 0 "[ . 1 . 2]" 1
170 1 10 MET H 1 12 LEU H . . 4.500 4.196 4.125 4.279 . 0 0 "[ . 1 . 2]" 1
171 1 10 MET HA 1 10 MET ME . . 3.500 2.113 1.989 2.617 . 0 0 "[ . 1 . 2]" 1
172 1 10 MET HA 1 13 VAL H . . 3.500 3.239 3.142 3.345 . 0 0 "[ . 1 . 2]" 1
173 1 10 MET HA 1 13 VAL HA . . 5.500 5.083 4.989 5.165 . 0 0 "[ . 1 . 2]" 1
174 1 10 MET HA 1 13 VAL HB . . 2.700 2.346 2.266 2.428 . 0 0 "[ . 1 . 2]" 1
175 1 10 MET HA 1 13 VAL MG1 . . 3.500 3.533 3.487 3.578 0.078 3 0 "[ . 1 . 2]" 1
176 1 10 MET HA 1 13 VAL MG2 . . 2.700 2.716 2.649 2.744 0.044 16 0 "[ . 1 . 2]" 1
177 1 10 MET HA 1 14 ILE H . . 5.500 4.124 4.008 4.275 . 0 0 "[ . 1 . 2]" 1
178 1 10 MET HA 1 14 ILE MD . . 4.500 4.387 4.245 4.513 0.013 10 0 "[ . 1 . 2]" 1
179 1 10 MET QB 1 11 SER H . . 3.500 2.755 2.690 2.860 . 0 0 "[ . 1 . 2]" 1
180 1 10 MET ME 1 10 MET QG . . 2.700 2.329 2.172 2.465 . 0 0 "[ . 1 . 2]" 1
181 1 10 MET ME 1 13 VAL HB . . 4.500 2.956 2.709 3.661 . 0 0 "[ . 1 . 2]" 1
182 1 10 MET ME 1 13 VAL MG1 . . 5.500 2.662 2.363 3.438 . 0 0 "[ . 1 . 2]" 1
183 1 10 MET ME 1 13 VAL MG2 . . 3.500 2.132 2.073 2.341 . 0 0 "[ . 1 . 2]" 1
184 1 10 MET ME 2 23 HIS HD2 . . 4.500 4.267 3.804 4.540 0.040 1 0 "[ . 1 . 2]" 1
185 1 10 MET ME 2 23 HIS HE1 . . 4.500 3.006 2.513 3.477 . 0 0 "[ . 1 . 2]" 1
186 1 10 MET ME 2 42 LEU MD1 . . 4.500 3.680 2.824 4.308 . 0 0 "[ . 1 . 2]" 1
187 1 10 MET ME 2 42 LEU MD2 . . 3.500 2.352 2.039 3.538 0.038 2 0 "[ . 1 . 2]" 1
188 1 10 MET ME 2 42 LEU HG . . 5.500 4.497 4.011 5.155 . 0 0 "[ . 1 . 2]" 1
189 1 10 MET QG 1 13 VAL MG2 . . 4.500 4.258 4.104 4.533 0.033 20 0 "[ . 1 . 2]" 1
190 1 11 SER H 1 11 SER QB . . 2.700 2.471 2.365 2.515 . 0 0 "[ . 1 . 2]" 1
191 1 11 SER H 1 12 LEU H . . 3.500 2.684 2.622 2.759 . 0 0 "[ . 1 . 2]" 1
192 1 11 SER H 1 13 VAL H . . 4.500 4.074 4.019 4.151 . 0 0 "[ . 1 . 2]" 1
193 1 11 SER HA 1 14 ILE H . . 3.500 3.519 3.476 3.543 0.043 8 0 "[ . 1 . 2]" 1
194 1 11 SER HA 1 14 ILE HB . . 2.700 2.725 2.707 2.743 0.043 4 0 "[ . 1 . 2]" 1
195 1 11 SER HA 1 14 ILE MD . . 2.700 2.697 2.621 2.717 0.017 16 0 "[ . 1 . 2]" 1
196 1 11 SER HA 1 14 ILE HG12 . . 5.500 5.199 5.135 5.230 . 0 0 "[ . 1 . 2]" 1
197 1 11 SER HA 1 14 ILE HG13 . . 5.500 4.186 4.085 4.277 . 0 0 "[ . 1 . 2]" 1
198 1 11 SER HA 1 14 ILE MG . . 4.500 4.009 3.967 4.058 . 0 0 "[ . 1 . 2]" 1
199 1 11 SER HA 1 15 GLU H . . 5.500 4.099 4.062 4.154 . 0 0 "[ . 1 . 2]" 1
200 1 11 SER HA 2 99 LYS HD2 . . 5.500 5.267 4.711 5.574 0.074 5 0 "[ . 1 . 2]" 1
201 1 11 SER QB 1 14 ILE MD . . 4.500 4.471 4.389 4.514 0.014 6 0 "[ . 1 . 2]" 1
202 1 12 LEU H 1 12 LEU MD2 . . 4.500 4.367 4.341 4.396 . 0 0 "[ . 1 . 2]" 1
203 1 12 LEU H 1 12 LEU HG . . 4.500 3.787 3.643 3.900 . 0 0 "[ . 1 . 2]" 1
204 1 12 LEU H 1 13 VAL H . . 3.500 2.630 2.598 2.678 . 0 0 "[ . 1 . 2]" 1
205 1 12 LEU H 1 14 ILE H . . 4.500 4.191 4.138 4.254 . 0 0 "[ . 1 . 2]" 1
206 1 12 LEU HA 1 12 LEU MD1 . . 4.500 3.707 3.692 3.734 . 0 0 "[ . 1 . 2]" 1
207 1 12 LEU HA 1 12 LEU HG . . 4.500 2.314 2.275 2.360 . 0 0 "[ . 1 . 2]" 1
208 1 12 LEU HA 1 15 GLU H . . 3.500 2.983 2.959 3.028 . 0 0 "[ . 1 . 2]" 1
209 1 12 LEU HA 1 15 GLU HB2 . . 2.700 2.708 2.510 2.734 0.034 16 0 "[ . 1 . 2]" 1
210 1 12 LEU HA 1 15 GLU HB3 . . 2.700 2.196 2.169 2.221 . 0 0 "[ . 1 . 2]" 1
211 1 12 LEU HA 1 15 GLU HG2 . . 4.500 3.763 3.603 3.808 . 0 0 "[ . 1 . 2]" 1
212 1 12 LEU HA 1 15 GLU HG3 . . 4.500 4.530 4.476 4.566 0.066 10 0 "[ . 1 . 2]" 1
213 1 12 LEU HA 1 16 MET H . . 5.500 3.687 3.619 3.729 . 0 0 "[ . 1 . 2]" 1
214 1 12 LEU QD 2 93 LEU HA . . 3.500 2.147 2.061 2.233 . 0 0 "[ . 1 . 2]" 1
215 1 12 LEU QD 2 93 LEU MD1 . . 4.500 2.492 2.438 2.551 . 0 0 "[ . 1 . 2]" 1
216 1 12 LEU MD1 1 16 MET HG2 . . 5.500 4.716 4.584 4.796 . 0 0 "[ . 1 . 2]" 1
217 1 12 LEU MD1 1 16 MET HG3 . . 5.500 4.589 4.481 4.761 . 0 0 "[ . 1 . 2]" 1
218 1 12 LEU MD1 2 19 VAL MG2 . . 4.500 2.152 2.104 2.231 . 0 0 "[ . 1 . 2]" 1
219 1 12 LEU MD1 2 92 PRO HA . . 4.500 4.145 3.999 4.250 . 0 0 "[ . 1 . 2]" 1
220 1 12 LEU MD1 2 92 PRO HB2 . . 4.500 2.687 2.529 2.898 . 0 0 "[ . 1 . 2]" 1
221 1 12 LEU MD1 2 92 PRO HB3 . . 4.500 4.222 4.085 4.400 . 0 0 "[ . 1 . 2]" 1
222 1 12 LEU MD1 2 93 LEU HA . . 4.500 2.153 2.065 2.240 . 0 0 "[ . 1 . 2]" 1
223 1 12 LEU MD1 2 93 LEU MD1 . . 4.500 2.504 2.448 2.565 . 0 0 "[ . 1 . 2]" 1
224 1 12 LEU MD1 2 93 LEU MD2 . . 5.500 4.287 4.092 4.404 . 0 0 "[ . 1 . 2]" 1
225 1 12 LEU MD1 2 93 LEU HG . . 4.500 4.448 4.372 4.512 0.012 10 0 "[ . 1 . 2]" 1
226 1 12 LEU MD1 2 96 ALA HA . . 4.500 4.451 4.320 4.537 0.037 20 0 "[ . 1 . 2]" 1
227 1 12 LEU MD2 1 15 GLU HG2 . . 4.500 3.210 3.095 3.370 . 0 0 "[ . 1 . 2]" 1
228 1 12 LEU MD2 1 15 GLU HG3 . . 4.500 3.588 3.448 3.830 . 0 0 "[ . 1 . 2]" 1
229 1 12 LEU MD2 2 19 VAL MG2 . . 4.500 2.132 2.088 2.178 . 0 0 "[ . 1 . 2]" 1
230 1 12 LEU MD2 2 92 PRO HB2 . . 3.500 2.312 2.239 2.396 . 0 0 "[ . 1 . 2]" 1
231 1 12 LEU MD2 2 92 PRO HB3 . . 3.500 3.491 3.370 3.540 0.040 16 0 "[ . 1 . 2]" 1
232 1 12 LEU MD2 2 93 LEU MD1 . . 4.500 4.512 4.482 4.535 0.035 7 0 "[ . 1 . 2]" 1
233 1 12 LEU HG 1 13 VAL H . . 5.500 5.157 5.105 5.200 . 0 0 "[ . 1 . 2]" 1
234 1 12 LEU HG 2 19 VAL MG1 . . 5.500 4.963 4.846 5.085 . 0 0 "[ . 1 . 2]" 1
235 1 12 LEU HG 2 19 VAL MG2 . . 4.500 4.122 4.064 4.182 . 0 0 "[ . 1 . 2]" 1
236 1 13 VAL H 1 13 VAL HB . . 2.700 2.313 2.277 2.345 . 0 0 "[ . 1 . 2]" 1
237 1 13 VAL H 1 14 ILE H . . 3.500 2.698 2.667 2.737 . 0 0 "[ . 1 . 2]" 1
238 1 13 VAL H 1 15 GLU H . . 4.500 4.055 4.009 4.096 . 0 0 "[ . 1 . 2]" 1
239 1 13 VAL HA 1 13 VAL MG1 . . 3.500 2.698 2.672 2.739 . 0 0 "[ . 1 . 2]" 1
240 1 13 VAL HA 1 13 VAL MG2 . . 3.500 2.337 2.290 2.364 . 0 0 "[ . 1 . 2]" 1
241 1 13 VAL HA 1 16 MET H . . 4.500 3.845 3.774 3.914 . 0 0 "[ . 1 . 2]" 1
242 1 13 VAL HA 1 18 LEU HB2 . . 5.500 2.781 2.215 3.040 . 0 0 "[ . 1 . 2]" 1
243 1 13 VAL HA 1 18 LEU HB3 . . 4.500 4.284 3.677 4.511 0.011 15 0 "[ . 1 . 2]" 1
244 1 13 VAL HA 1 18 LEU MD2 . . 4.500 3.730 2.288 4.265 . 0 0 "[ . 1 . 2]" 1
245 1 13 VAL HA 2 19 VAL HB . . 5.500 4.598 4.488 4.756 . 0 0 "[ . 1 . 2]" 1
246 1 13 VAL HA 2 19 VAL MG1 . . 4.500 2.514 2.411 2.757 . 0 0 "[ . 1 . 2]" 1
247 1 13 VAL HA 2 19 VAL MG2 . . 4.500 4.078 3.897 4.196 . 0 0 "[ . 1 . 2]" 1
248 1 13 VAL HA 2 42 LEU MD1 . . 5.500 4.720 4.193 5.383 . 0 0 "[ . 1 . 2]" 1
249 1 13 VAL HB 1 14 ILE H . . 4.500 2.554 2.514 2.592 . 0 0 "[ . 1 . 2]" 1
250 1 13 VAL HB 1 14 ILE MD . . 4.500 4.270 4.154 4.353 . 0 0 "[ . 1 . 2]" 1
251 1 13 VAL HB 1 14 ILE MG . . 5.500 5.559 5.540 5.575 0.075 9 0 "[ . 1 . 2]" 1
252 1 13 VAL HB 2 19 VAL MG1 . . 5.500 3.922 3.852 3.999 . 0 0 "[ . 1 . 2]" 1
253 1 13 VAL HB 2 42 LEU MD1 . . 5.500 4.530 3.907 4.888 . 0 0 "[ . 1 . 2]" 1
254 1 13 VAL MG1 1 14 ILE HA . . 5.500 3.337 3.217 3.436 . 0 0 "[ . 1 . 2]" 1
255 1 13 VAL MG1 1 14 ILE HG13 . . 4.500 2.842 2.595 3.011 . 0 0 "[ . 1 . 2]" 1
256 1 13 VAL MG1 1 18 LEU HB2 . . 4.500 2.128 2.050 2.281 . 0 0 "[ . 1 . 2]" 1
257 1 13 VAL MG1 1 18 LEU HB3 . . 3.500 3.356 2.534 3.560 0.060 8 0 "[ . 1 . 2]" 1
258 1 13 VAL MG1 2 42 LEU MD1 . . 2.700 2.198 1.942 2.587 . 0 0 "[ . 1 . 2]" 1
259 1 13 VAL MG1 2 42 LEU QD . . 5.500 1.975 1.875 2.117 . 0 0 "[ . 1 . 2]" 1
260 1 13 VAL MG2 2 42 LEU MD1 . . 5.500 3.088 2.337 3.455 . 0 0 "[ . 1 . 2]" 1
261 1 13 VAL MG2 2 42 LEU QD . . 5.500 2.149 1.950 2.487 . 0 0 "[ . 1 . 2]" 1
262 1 14 ILE H 1 14 ILE HG13 . . 3.500 2.369 2.335 2.399 . 0 0 "[ . 1 . 2]" 1
263 1 14 ILE H 1 15 GLU H . . 3.500 2.659 2.609 2.685 . 0 0 "[ . 1 . 2]" 1
264 1 14 ILE H 1 16 MET H . . 4.500 4.287 4.238 4.340 . 0 0 "[ . 1 . 2]" 1
265 1 14 ILE HA 1 14 ILE MD . . 4.500 3.865 3.853 3.881 . 0 0 "[ . 1 . 2]" 1
266 1 14 ILE HA 1 14 ILE HG12 . . 3.500 2.575 2.548 2.596 . 0 0 "[ . 1 . 2]" 1
267 1 14 ILE HA 1 14 ILE HG13 . . 3.500 2.759 2.715 2.802 . 0 0 "[ . 1 . 2]" 1
268 1 14 ILE HA 1 14 ILE MG . . 2.700 2.523 2.501 2.544 . 0 0 "[ . 1 . 2]" 1
269 1 14 ILE HA 1 15 GLU H . . 4.500 3.592 3.574 3.605 . 0 0 "[ . 1 . 2]" 1
270 1 14 ILE HB 1 14 ILE MD . . 2.700 2.353 2.341 2.365 . 0 0 "[ . 1 . 2]" 1
271 1 14 ILE MD 2 42 LEU QD . . 5.500 5.498 5.308 5.543 0.043 16 0 "[ . 1 . 2]" 1
272 1 14 ILE MG 1 15 GLU HA . . 4.500 3.553 3.489 3.646 . 0 0 "[ . 1 . 2]" 1
273 1 15 GLU H 1 16 MET H . . 3.500 2.802 2.777 2.852 . 0 0 "[ . 1 . 2]" 1
274 1 15 GLU H 1 17 GLY H . . 4.500 3.974 3.915 4.049 . 0 0 "[ . 1 . 2]" 1
275 1 15 GLU HA 1 15 GLU HG3 . . 3.500 3.064 2.868 3.162 . 0 0 "[ . 1 . 2]" 1
276 1 16 MET H 1 16 MET HB2 . . 2.700 2.238 2.210 2.289 . 0 0 "[ . 1 . 2]" 1
277 1 16 MET H 1 16 MET HB3 . . 3.500 3.519 3.506 3.536 0.036 4 0 "[ . 1 . 2]" 1
278 1 16 MET H 1 16 MET HG2 . . 3.500 2.571 2.476 2.700 . 0 0 "[ . 1 . 2]" 1
279 1 16 MET H 1 16 MET HG3 . . 3.500 3.517 3.445 3.544 0.044 9 0 "[ . 1 . 2]" 1
280 1 16 MET H 1 17 GLY H . . 3.500 2.558 2.518 2.611 . 0 0 "[ . 1 . 2]" 1
281 1 16 MET HA 1 16 MET HB3 . . 2.700 2.566 2.533 2.586 . 0 0 "[ . 1 . 2]" 1
282 1 16 MET HA 1 16 MET ME . . 4.500 3.735 3.521 4.091 . 0 0 "[ . 1 . 2]" 1
283 1 16 MET HA 1 16 MET HG2 . . 4.500 2.767 2.640 2.861 . 0 0 "[ . 1 . 2]" 1
284 1 16 MET HA 1 16 MET HG3 . . 4.500 3.764 3.745 3.772 . 0 0 "[ . 1 . 2]" 1
285 1 16 MET HA 1 18 LEU MD2 . . 5.500 4.526 4.120 5.469 . 0 0 "[ . 1 . 2]" 1
286 1 16 MET HB3 1 18 LEU MD2 . . 4.500 2.522 2.154 3.540 . 0 0 "[ . 1 . 2]" 1
287 1 16 MET ME 2 12 LYS HA . . 4.500 3.972 3.703 4.177 . 0 0 "[ . 1 . 2]" 1
288 1 16 MET ME 2 12 LYS HG2 . . 4.500 4.048 3.522 4.508 0.008 1 0 "[ . 1 . 2]" 1
289 1 16 MET ME 2 12 LYS QG . . 3.500 3.346 2.925 3.529 0.029 20 0 "[ . 1 . 2]" 1
290 1 16 MET ME 2 12 LYS HG3 . . 5.500 3.576 3.093 3.830 . 0 0 "[ . 1 . 2]" 1
291 1 16 MET ME 2 15 GLN HA . . 5.500 3.938 3.849 4.031 . 0 0 "[ . 1 . 2]" 1
292 1 16 MET ME 2 15 GLN HG2 . . 4.500 4.411 4.304 4.513 0.013 15 0 "[ . 1 . 2]" 1
293 1 16 MET ME 2 15 GLN QG . . 5.500 3.972 3.907 4.027 . 0 0 "[ . 1 . 2]" 1
294 1 16 MET ME 2 15 GLN HG3 . . 4.500 4.513 4.445 4.550 0.050 6 0 "[ . 1 . 2]" 1
295 1 16 MET ME 2 16 GLN HA . . 3.500 2.404 2.188 2.572 . 0 0 "[ . 1 . 2]" 1
296 1 16 MET ME 2 16 GLN HB2 . . 4.500 2.664 2.397 2.963 . 0 0 "[ . 1 . 2]" 1
297 1 16 MET ME 2 16 GLN HB3 . . 4.500 3.741 3.474 4.136 . 0 0 "[ . 1 . 2]" 1
298 1 16 MET ME 2 16 GLN HG2 . . 4.500 4.425 4.105 4.599 0.099 15 0 "[ . 1 . 2]" 1
299 1 16 MET ME 2 16 GLN HG3 . . 4.500 4.111 3.605 4.413 . 0 0 "[ . 1 . 2]" 1
300 1 16 MET ME 2 19 VAL HB . . 4.500 4.127 3.961 4.218 . 0 0 "[ . 1 . 2]" 1
301 1 16 MET ME 2 19 VAL MG1 . . 4.500 4.522 4.462 4.553 0.053 1 0 "[ . 1 . 2]" 1
302 1 16 MET ME 2 19 VAL MG2 . . 3.500 3.244 3.038 3.429 . 0 0 "[ . 1 . 2]" 1
303 1 16 MET QG 2 19 VAL MG2 . . 5.500 2.418 2.222 2.717 . 0 0 "[ . 1 . 2]" 1
304 1 16 MET HG2 1 17 GLY H . . 5.500 4.684 4.595 4.754 . 0 0 "[ . 1 . 2]" 1
305 1 16 MET HG2 1 18 LEU MD2 . . 4.500 4.525 4.483 4.561 0.061 7 0 "[ . 1 . 2]" 1
306 1 16 MET HG2 2 19 VAL MG2 . . 5.500 3.627 3.344 4.019 . 0 0 "[ . 1 . 2]" 1
307 1 16 MET HG3 1 17 GLY H . . 5.500 5.218 5.084 5.384 . 0 0 "[ . 1 . 2]" 1
308 1 16 MET HG3 1 18 LEU MD2 . . 4.500 3.476 3.224 3.737 . 0 0 "[ . 1 . 2]" 1
309 1 17 GLY H 1 17 GLY HA3 . . 2.700 2.927 2.878 2.962 0.262 20 0 "[ . 1 . 2]" 1
310 1 17 GLY H 1 18 LEU H . . 2.700 2.496 2.340 2.662 . 0 0 "[ . 1 . 2]" 1
311 1 17 GLY H 1 19 ASP H . . 4.500 4.432 4.226 4.526 0.026 7 0 "[ . 1 . 2]" 1
312 1 18 LEU H 1 19 ASP H . . 5.500 2.782 2.708 2.856 . 0 0 "[ . 1 . 2]" 1
313 1 18 LEU H 1 20 ARG H . . 4.500 4.423 4.291 4.530 0.030 20 0 "[ . 1 . 2]" 1
314 1 18 LEU HA 1 18 LEU MD1 . . 4.500 3.374 2.146 3.824 . 0 0 "[ . 1 . 2]" 1
315 1 18 LEU HA 1 18 LEU MD2 . . 4.500 2.599 2.129 3.830 . 0 0 "[ . 1 . 2]" 1
316 1 18 LEU HA 1 21 ILE HG12 . . 5.500 2.408 2.089 3.478 . 0 0 "[ . 1 . 2]" 1
317 1 18 LEU HA 1 21 ILE HG13 . . 5.500 3.202 2.478 3.622 . 0 0 "[ . 1 . 2]" 1
318 1 18 LEU HB2 1 18 LEU MD2 . . 3.500 2.997 2.234 3.255 . 0 0 "[ . 1 . 2]" 1
319 1 18 LEU HB2 1 21 ILE HG12 . . 5.500 4.810 4.587 5.338 . 0 0 "[ . 1 . 2]" 1
320 1 18 LEU HB2 2 42 LEU MD1 . . 5.500 3.146 2.330 4.005 . 0 0 "[ . 1 . 2]" 1
321 1 18 LEU HB3 1 21 ILE HG12 . . 3.500 3.521 3.291 3.664 0.164 7 0 "[ . 1 . 2]" 1
322 1 18 LEU QD 2 13 LEU QD . . 5.500 4.729 4.510 5.194 . 0 0 "[ . 1 . 2]" 1
323 1 18 LEU QD 2 16 GLN HA . . 5.500 2.165 2.035 2.334 . 0 0 "[ . 1 . 2]" 1
324 1 18 LEU QD 2 16 GLN HB2 . . 4.500 2.527 2.159 3.304 . 0 0 "[ . 1 . 2]" 1
325 1 18 LEU QD 2 16 GLN HB3 . . 4.500 3.642 3.400 4.021 . 0 0 "[ . 1 . 2]" 1
326 1 18 LEU MD1 2 16 GLN HA . . 5.500 2.377 2.155 2.852 . 0 0 "[ . 1 . 2]" 1
327 1 18 LEU MD1 2 16 GLN HB2 . . 3.500 3.410 2.642 3.539 0.039 2 0 "[ . 1 . 2]" 1
328 1 18 LEU MD2 1 21 ILE MD . . 4.500 3.153 2.390 4.409 . 0 0 "[ . 1 . 2]" 1
329 1 18 LEU MD2 1 21 ILE HG12 . . 5.500 3.664 3.172 4.890 . 0 0 "[ . 1 . 2]" 1
330 1 18 LEU MD2 1 21 ILE HG13 . . 4.500 3.469 3.004 4.393 . 0 0 "[ . 1 . 2]" 1
331 1 18 LEU MD2 2 16 GLN HA . . 4.500 2.560 2.290 3.067 . 0 0 "[ . 1 . 2]" 1
332 1 18 LEU MD2 2 16 GLN HB2 . . 5.500 2.833 2.182 4.397 . 0 0 "[ . 1 . 2]" 1
333 1 19 ASP H 1 19 ASP QB . . 3.500 2.463 2.369 2.520 . 0 0 "[ . 1 . 2]" 1
334 1 19 ASP H 1 20 ARG H . . 2.700 2.620 2.473 2.710 0.010 10 0 "[ . 1 . 2]" 1
335 1 19 ASP HA 2 42 LEU MD1 . . 3.500 2.728 2.310 3.330 . 0 0 "[ . 1 . 2]" 1
336 1 19 ASP HA 2 42 LEU QD . . 3.500 2.711 2.303 3.261 . 0 0 "[ . 1 . 2]" 1
337 1 19 ASP HA 2 42 LEU HG . . 5.500 5.142 3.489 5.571 0.071 14 0 "[ . 1 . 2]" 1
338 1 19 ASP HB2 2 42 LEU MD1 . . 5.500 4.275 3.792 5.296 . 0 0 "[ . 1 . 2]" 1
339 1 19 ASP HB2 2 42 LEU QD . . 5.500 4.185 3.744 5.013 . 0 0 "[ . 1 . 2]" 1
340 1 19 ASP HB3 2 42 LEU MD1 . . 5.500 3.684 3.341 4.689 . 0 0 "[ . 1 . 2]" 1
341 1 19 ASP HB3 2 42 LEU QD . . 5.500 3.609 3.322 4.455 . 0 0 "[ . 1 . 2]" 1
342 1 20 ARG H 1 20 ARG QB . . 2.700 2.378 2.256 2.556 . 0 0 "[ . 1 . 2]" 1
343 1 20 ARG H 1 20 ARG HD2 . . 4.500 3.849 2.417 4.527 0.027 20 0 "[ . 1 . 2]" 1
344 1 20 ARG H 1 21 ILE H . . 2.700 2.590 2.458 2.658 . 0 0 "[ . 1 . 2]" 1
345 1 20 ARG H 1 21 ILE HA . . 5.500 5.044 4.661 5.165 . 0 0 "[ . 1 . 2]" 1
346 1 20 ARG H 1 21 ILE HG13 . . 5.500 5.245 3.946 5.510 0.010 19 0 "[ . 1 . 2]" 1
347 1 20 ARG HA 1 20 ARG HD2 . . 5.500 4.399 2.586 4.711 . 0 0 "[ . 1 . 2]" 1
348 1 20 ARG HA 1 20 ARG HG2 . . 3.500 2.792 2.425 3.557 0.057 19 0 "[ . 1 . 2]" 1
349 1 20 ARG HA 1 21 ILE H . . 3.500 3.368 3.215 3.501 0.001 7 0 "[ . 1 . 2]" 1
350 1 21 ILE H 1 21 ILE HG13 . . 5.500 3.447 2.131 3.560 . 0 0 "[ . 1 . 2]" 1
351 1 21 ILE HA 1 21 ILE HG12 . . 4.500 2.929 2.573 3.086 . 0 0 "[ . 1 . 2]" 1
352 1 21 ILE HA 1 21 ILE HG13 . . 4.500 3.792 3.276 3.882 . 0 0 "[ . 1 . 2]" 1
353 1 21 ILE HA 1 21 ILE MG . . 2.700 2.545 2.343 2.719 0.019 20 0 "[ . 1 . 2]" 1
354 1 21 ILE HA 1 22 LYS H . . 3.500 2.273 2.135 2.389 . 0 0 "[ . 1 . 2]" 1
355 1 21 ILE HB 1 21 ILE MD . . 3.500 3.232 2.436 3.290 . 0 0 "[ . 1 . 2]" 1
356 1 21 ILE MD 1 24 LEU HA . . 4.500 3.694 3.478 4.395 . 0 0 "[ . 1 . 2]" 1
357 1 21 ILE MD 1 24 LEU MD1 . . 5.500 3.207 2.723 3.354 . 0 0 "[ . 1 . 2]" 1
358 1 21 ILE MD 1 24 LEU MD2 . . 5.500 5.496 4.859 5.567 0.067 16 0 "[ . 1 . 2]" 1
359 1 21 ILE MD 1 25 PRO HD2 . . 4.500 3.673 3.187 4.502 0.002 20 0 "[ . 1 . 2]" 1
360 1 21 ILE MD 2 44 HIS HD2 . . 5.500 5.141 3.568 5.564 0.064 12 0 "[ . 1 . 2]" 1
361 1 21 ILE MG 1 24 LEU MD1 . . 5.500 2.913 2.416 3.307 . 0 0 "[ . 1 . 2]" 1
362 1 21 ILE MG 1 24 LEU MD2 . . 5.500 4.782 4.453 5.061 . 0 0 "[ . 1 . 2]" 1
363 1 21 ILE MG 1 25 PRO HD3 . . 5.500 3.703 2.908 4.922 . 0 0 "[ . 1 . 2]" 1
364 1 21 ILE MG 2 44 HIS HD2 . . 3.500 2.558 2.154 2.838 . 0 0 "[ . 1 . 2]" 1
365 1 22 LYS H 1 24 LEU H . . 5.500 5.537 5.437 5.604 0.104 17 0 "[ . 1 . 2]" 1
366 1 22 LYS HA 1 22 LYS HE2 . . 5.500 4.825 2.309 5.335 . 0 0 "[ . 1 . 2]" 1
367 1 22 LYS HA 1 22 LYS HG2 . . 4.500 3.270 2.431 3.828 . 0 0 "[ . 1 . 2]" 1
368 1 22 LYS HA 1 22 LYS HG3 . . 3.500 2.741 2.429 3.609 0.109 13 0 "[ . 1 . 2]" 1
369 1 22 LYS HA 1 23 GLU HG2 . . 5.500 4.635 4.195 5.071 . 0 0 "[ . 1 . 2]" 1
370 1 22 LYS HA 2 44 HIS HD2 . . 5.500 4.721 4.044 5.512 0.012 20 0 "[ . 1 . 2]" 1
371 1 22 LYS HD2 1 23 GLU HG2 . . 5.500 4.943 3.913 5.519 0.019 14 0 "[ . 1 . 2]" 1
372 1 22 LYS QE 1 23 GLU QG . . 5.500 3.687 2.493 4.772 . 0 0 "[ . 1 . 2]" 1
373 1 22 LYS HE2 1 22 LYS HG2 . . 3.500 2.772 2.410 3.588 0.088 20 0 "[ . 1 . 2]" 1
374 1 22 LYS HE2 1 23 GLU HG2 . . 5.500 4.756 3.839 5.543 0.043 16 0 "[ . 1 . 2]" 1
375 1 22 LYS HG3 1 23 GLU HG2 . . 5.500 3.878 2.632 5.114 . 0 0 "[ . 1 . 2]" 1
376 1 23 GLU H 1 23 GLU HB2 . . 3.500 2.863 2.757 3.194 . 0 0 "[ . 1 . 2]" 1
377 1 23 GLU H 1 24 LEU HA . . 5.500 4.638 4.487 5.592 0.092 20 0 "[ . 1 . 2]" 1
378 1 23 GLU HA 1 23 GLU HB3 . . 2.700 2.508 2.366 2.575 . 0 0 "[ . 1 . 2]" 1
379 1 23 GLU HA 1 23 GLU HG2 . . 3.500 3.036 2.549 3.287 . 0 0 "[ . 1 . 2]" 1
380 1 23 GLU HA 1 24 LEU H . . 2.700 2.170 2.000 2.273 . 0 0 "[ . 1 . 2]" 1
381 1 23 GLU HA 1 24 LEU HB2 . . 5.500 4.273 4.126 4.371 . 0 0 "[ . 1 . 2]" 1
382 1 23 GLU HA 1 24 LEU HB3 . . 5.500 4.755 4.525 4.959 . 0 0 "[ . 1 . 2]" 1
383 1 23 GLU HA 2 44 HIS HD2 . . 4.500 4.471 3.938 4.582 0.082 16 0 "[ . 1 . 2]" 1
384 1 23 GLU HA 2 47 THR MG . . 5.500 5.500 5.142 5.572 0.072 16 0 "[ . 1 . 2]" 1
385 1 23 GLU HB2 1 24 LEU H . . 4.500 4.200 4.004 4.356 . 0 0 "[ . 1 . 2]" 1
386 1 23 GLU HB3 1 24 LEU H . . 3.500 3.268 2.990 3.637 0.137 20 0 "[ . 1 . 2]" 1
387 1 23 GLU HG2 1 24 LEU H . . 5.500 5.011 4.422 5.210 . 0 0 "[ . 1 . 2]" 1
388 1 24 LEU H 1 24 LEU MD2 . . 5.500 4.276 4.216 4.351 . 0 0 "[ . 1 . 2]" 1
389 1 24 LEU H 1 24 LEU HG . . 4.500 4.498 4.452 4.524 0.024 15 0 "[ . 1 . 2]" 1
390 1 24 LEU H 1 25 PRO HD2 . . 5.500 4.999 4.904 5.081 . 0 0 "[ . 1 . 2]" 1
391 1 24 LEU H 1 25 PRO HD3 . . 5.500 4.831 4.762 4.911 . 0 0 "[ . 1 . 2]" 1
392 1 24 LEU HA 1 24 LEU MD1 . . 2.700 2.164 2.099 2.281 . 0 0 "[ . 1 . 2]" 1
393 1 24 LEU HA 1 24 LEU MD2 . . 4.500 3.867 3.835 3.907 . 0 0 "[ . 1 . 2]" 1
394 1 24 LEU HA 1 24 LEU HG . . 4.500 2.837 2.676 2.918 . 0 0 "[ . 1 . 2]" 1
395 1 24 LEU HA 1 25 PRO HB3 . . 5.500 4.935 4.890 4.965 . 0 0 "[ . 1 . 2]" 1
396 1 24 LEU HA 1 25 PRO HD2 . . 2.700 2.277 2.234 2.328 . 0 0 "[ . 1 . 2]" 1
397 1 24 LEU HA 1 25 PRO HD3 . . 2.700 2.480 2.417 2.520 . 0 0 "[ . 1 . 2]" 1
398 1 24 LEU HA 1 25 PRO QG . . 4.500 4.016 3.996 4.050 . 0 0 "[ . 1 . 2]" 1
399 1 24 LEU HA 2 47 THR MG . . 5.500 4.956 4.740 5.194 . 0 0 "[ . 1 . 2]" 1
400 1 24 LEU QD 2 13 LEU QD . . 5.500 4.622 4.471 4.752 . 0 0 "[ . 1 . 2]" 1
401 1 24 LEU MD1 1 25 PRO HD2 . . 3.500 2.355 2.213 2.720 . 0 0 "[ . 1 . 2]" 1
402 1 24 LEU MD1 1 25 PRO HD3 . . 4.500 3.519 3.333 3.785 . 0 0 "[ . 1 . 2]" 1
403 1 24 LEU MD1 2 17 GLN H . . 5.500 5.034 4.411 5.394 . 0 0 "[ . 1 . 2]" 1
404 1 24 LEU MD1 2 20 LEU HB2 . . 5.500 4.186 4.016 4.390 . 0 0 "[ . 1 . 2]" 1
405 1 24 LEU MD1 2 20 LEU MD1 . . 3.500 2.166 1.958 2.408 . 0 0 "[ . 1 . 2]" 1
406 1 24 LEU MD1 2 20 LEU MD2 . . 4.500 4.071 3.806 4.409 . 0 0 "[ . 1 . 2]" 1
407 1 24 LEU MD1 2 20 LEU HG . . 5.500 4.421 4.083 4.712 . 0 0 "[ . 1 . 2]" 1
408 1 24 LEU MD1 2 44 HIS HD2 . . 5.500 4.543 2.357 5.518 0.018 1 0 "[ . 1 . 2]" 1
409 1 24 LEU MD1 2 47 THR HB . . 4.500 3.976 3.682 4.299 . 0 0 "[ . 1 . 2]" 1
410 1 24 LEU MD1 2 47 THR MG . . 3.500 3.528 3.506 3.557 0.057 7 0 "[ . 1 . 2]" 1
411 1 24 LEU MD1 2 48 MET ME . . 3.500 3.394 3.136 3.555 0.055 8 0 "[ . 1 . 2]" 1
412 1 24 LEU MD1 2 48 MET HG2 . . 5.500 4.143 3.734 5.168 . 0 0 "[ . 1 . 2]" 1
413 1 24 LEU MD2 1 25 PRO HD2 . . 5.500 4.239 4.150 4.395 . 0 0 "[ . 1 . 2]" 1
414 1 24 LEU MD2 1 25 PRO HD3 . . 5.500 5.414 5.342 5.510 0.010 5 0 "[ . 1 . 2]" 1
415 1 24 LEU MD2 2 20 LEU MD1 . . 3.500 3.256 2.905 3.524 0.024 13 0 "[ . 1 . 2]" 1
416 1 24 LEU MD2 2 20 LEU MD2 . . 5.500 5.077 4.717 5.424 . 0 0 "[ . 1 . 2]" 1
417 1 24 LEU MD2 2 47 THR HB . . 4.500 3.036 2.710 3.353 . 0 0 "[ . 1 . 2]" 1
418 1 24 LEU MD2 2 47 THR MG . . 3.500 2.066 2.005 2.201 . 0 0 "[ . 1 . 2]" 1
419 1 24 LEU MD2 2 48 MET ME . . 3.500 2.017 1.934 2.067 . 0 0 "[ . 1 . 2]" 1
420 1 24 LEU MD2 2 48 MET HG2 . . 5.500 3.443 3.030 4.868 . 0 0 "[ . 1 . 2]" 1
421 1 24 LEU MD2 2 51 VAL MG1 . . 4.500 4.502 4.442 4.547 0.047 3 0 "[ . 1 . 2]" 1
422 1 24 LEU MD2 2 68 HIS HD2 . . 5.500 3.685 3.503 3.883 . 0 0 "[ . 1 . 2]" 1
423 1 24 LEU HG 1 25 PRO HD2 . . 5.500 2.707 2.513 2.935 . 0 0 "[ . 1 . 2]" 1
424 1 24 LEU HG 2 48 MET ME . . 5.500 4.216 4.088 4.299 . 0 0 "[ . 1 . 2]" 1
425 1 25 PRO HA 1 26 GLU H . . 2.700 2.438 2.395 2.508 . 0 0 "[ . 1 . 2]" 1
426 1 25 PRO HA 2 13 LEU MD2 . . 5.500 4.672 4.597 4.755 . 0 0 "[ . 1 . 2]" 1
427 1 25 PRO HA 2 68 HIS HE1 . . 4.500 4.120 3.984 4.230 . 0 0 "[ . 1 . 2]" 1
428 1 25 PRO HB2 1 26 GLU H . . 2.700 2.536 2.396 2.620 . 0 0 "[ . 1 . 2]" 1
429 1 25 PRO HB2 2 13 LEU MD1 . . 4.500 4.263 4.093 4.408 . 0 0 "[ . 1 . 2]" 1
430 1 25 PRO HB3 1 26 GLU H . . 3.500 3.508 3.452 3.523 0.023 12 0 "[ . 1 . 2]" 1
431 1 25 PRO HB3 2 13 LEU MD1 . . 4.500 4.415 4.229 4.517 0.017 12 0 "[ . 1 . 2]" 1
432 1 25 PRO HD2 1 25 PRO HG2 . . 2.700 2.308 2.294 2.322 . 0 0 "[ . 1 . 2]" 1
433 1 25 PRO HD2 2 13 LEU MD1 . . 4.500 4.556 4.529 4.596 0.096 16 0 "[ . 1 . 2]" 1
434 1 25 PRO HD2 2 13 LEU MD2 . . 5.500 4.363 4.278 4.497 . 0 0 "[ . 1 . 2]" 1
435 1 25 PRO HD3 2 13 LEU MD1 . . 4.500 4.521 4.501 4.538 0.038 7 0 "[ . 1 . 2]" 1
436 1 25 PRO HD3 2 13 LEU MD2 . . 5.500 4.443 4.379 4.555 . 0 0 "[ . 1 . 2]" 1
437 1 25 PRO QG 2 13 LEU HA . . 5.500 4.402 4.335 4.528 . 0 0 "[ . 1 . 2]" 1
438 1 25 PRO QG 2 13 LEU MD1 . . 3.500 2.614 2.555 2.669 . 0 0 "[ . 1 . 2]" 1
439 1 25 PRO QG 2 13 LEU MD2 . . 3.500 2.207 2.141 2.323 . 0 0 "[ . 1 . 2]" 1
440 1 25 PRO HG2 1 27 LEU MD1 . . 3.500 3.148 2.846 3.357 . 0 0 "[ . 1 . 2]" 1
441 1 25 PRO HG2 2 13 LEU HA . . 5.500 4.859 4.788 4.993 . 0 0 "[ . 1 . 2]" 1
442 1 25 PRO HG2 2 13 LEU MD2 . . 2.700 2.527 2.451 2.669 . 0 0 "[ . 1 . 2]" 1
443 1 26 GLU H 1 27 LEU H . . 4.500 4.558 4.540 4.571 0.071 8 0 "[ . 1 . 2]" 1
444 1 26 GLU HA 1 27 LEU H . . 5.500 2.197 2.154 2.234 . 0 0 "[ . 1 . 2]" 1
445 1 26 GLU HA 1 28 TRP HE1 . . 5.500 5.120 4.797 5.529 0.029 9 0 "[ . 1 . 2]" 1
446 1 26 GLU HA 2 67 ALA MB . . 3.500 2.976 2.677 3.338 . 0 0 "[ . 1 . 2]" 1
447 1 26 GLU HA 2 68 HIS HE1 . . 3.500 3.280 2.990 3.510 0.010 16 0 "[ . 1 . 2]" 1
448 1 26 GLU QB 2 67 ALA MB . . 4.500 2.668 2.346 2.889 . 0 0 "[ . 1 . 2]" 1
449 1 26 GLU QG 2 67 ALA MB . . 4.500 2.305 2.218 2.391 . 0 0 "[ . 1 . 2]" 1
450 1 26 GLU QG 2 68 HIS HE1 . . 4.500 3.313 2.810 3.769 . 0 0 "[ . 1 . 2]" 1
451 1 26 GLU HG2 1 28 TRP HE1 . . 4.500 4.080 3.746 4.532 0.032 4 0 "[ . 1 . 2]" 1
452 1 26 GLU HG2 2 67 ALA HA . . 5.500 5.307 5.175 5.465 . 0 0 "[ . 1 . 2]" 1
453 1 26 GLU HG2 2 67 ALA MB . . 4.500 2.329 2.235 2.485 . 0 0 "[ . 1 . 2]" 1
454 1 27 LEU H 1 28 TRP HD1 . . 4.500 3.846 3.658 4.081 . 0 0 "[ . 1 . 2]" 1
455 1 27 LEU HA 1 27 LEU MD1 . . 3.500 3.527 3.497 3.559 0.059 9 0 "[ . 1 . 2]" 1
456 1 27 LEU HA 1 27 LEU HG . . 3.500 2.666 2.393 2.793 . 0 0 "[ . 1 . 2]" 1
457 1 27 LEU HA 1 28 TRP H . . 2.700 2.332 2.253 2.451 . 0 0 "[ . 1 . 2]" 1
458 1 27 LEU HA 2 10 LYS HA . . 5.500 5.434 5.109 5.622 0.122 7 0 "[ . 1 . 2]" 1
459 1 27 LEU QB 2 71 SER QB . . 5.500 2.419 2.040 3.069 . 0 0 "[ . 1 . 2]" 1
460 1 27 LEU HB3 1 29 LEU MD1 . . 5.500 2.133 2.052 2.463 . 0 0 "[ . 1 . 2]" 1
461 1 27 LEU QD 2 10 LYS HA . . 4.500 3.174 2.750 3.411 . 0 0 "[ . 1 . 2]" 1
462 1 27 LEU QD 2 10 LYS QB . . 4.500 2.943 2.500 3.213 . 0 0 "[ . 1 . 2]" 1
463 1 27 LEU QD 2 10 LYS QD . . 4.500 3.406 2.981 4.533 0.033 8 0 "[ . 1 . 2]" 1
464 1 27 LEU QD 2 10 LYS QE . . 4.500 3.546 2.983 3.692 . 0 0 "[ . 1 . 2]" 1
465 1 27 LEU QD 2 10 LYS QG . . 4.500 4.384 4.093 4.525 0.025 15 0 "[ . 1 . 2]" 1
466 1 27 LEU QD 2 14 ILE HA . . 3.500 2.892 2.751 3.109 . 0 0 "[ . 1 . 2]" 1
467 1 27 LEU MD1 1 34 PHE QD . . 5.500 5.434 5.186 5.533 0.033 10 0 "[ . 1 . 2]" 1
468 1 27 LEU MD1 2 10 LYS HA . . 5.500 4.662 4.229 4.798 . 0 0 "[ . 1 . 2]" 1
469 1 27 LEU MD1 2 10 LYS QD . . 5.500 4.518 3.987 5.540 0.040 7 0 "[ . 1 . 2]" 1
470 1 27 LEU MD1 2 10 LYS HE2 . . 4.500 4.457 4.030 4.535 0.035 4 0 "[ . 1 . 2]" 1
471 1 27 LEU MD1 2 13 LEU HA . . 4.500 4.335 4.200 4.478 . 0 0 "[ . 1 . 2]" 1
472 1 27 LEU MD1 2 13 LEU HB2 . . 5.500 3.541 3.297 3.641 . 0 0 "[ . 1 . 2]" 1
473 1 27 LEU MD1 2 13 LEU HB3 . . 5.500 2.184 2.078 2.281 . 0 0 "[ . 1 . 2]" 1
474 1 27 LEU MD1 2 13 LEU MD1 . . 4.500 4.419 4.245 4.509 0.009 9 0 "[ . 1 . 2]" 1
475 1 27 LEU MD1 2 13 LEU MD2 . . 3.500 2.836 2.604 2.976 . 0 0 "[ . 1 . 2]" 1
476 1 27 LEU MD1 2 14 ILE MG . . 4.500 3.771 3.503 3.994 . 0 0 "[ . 1 . 2]" 1
477 1 27 LEU MD1 2 75 ILE MD . . 4.500 4.519 4.450 4.558 0.058 1 0 "[ . 1 . 2]" 1
478 1 27 LEU MD2 1 34 PHE QD . . 3.500 3.339 3.007 3.513 0.013 10 0 "[ . 1 . 2]" 1
479 1 27 LEU MD2 2 10 LYS HA . . 5.500 3.231 2.787 3.496 . 0 0 "[ . 1 . 2]" 1
480 1 27 LEU MD2 2 10 LYS HB3 . . 4.500 3.009 2.536 3.301 . 0 0 "[ . 1 . 2]" 1
481 1 27 LEU MD2 2 11 ARG HA . . 5.500 4.507 4.102 4.721 . 0 0 "[ . 1 . 2]" 1
482 1 27 LEU MD2 2 13 LEU HA . . 4.500 4.152 4.010 4.278 . 0 0 "[ . 1 . 2]" 1
483 1 27 LEU MD2 2 13 LEU MD2 . . 3.500 3.398 3.280 3.508 0.008 11 0 "[ . 1 . 2]" 1
484 1 27 LEU MD2 2 14 ILE HA . . 4.500 2.963 2.796 3.216 . 0 0 "[ . 1 . 2]" 1
485 1 27 LEU MD2 2 14 ILE MG . . 4.500 2.002 1.940 2.103 . 0 0 "[ . 1 . 2]" 1
486 1 27 LEU MD2 2 71 SER QB . . 5.500 3.631 2.937 4.260 . 0 0 "[ . 1 . 2]" 1
487 1 27 LEU MD2 2 75 ILE MD . . 4.500 3.397 3.194 3.739 . 0 0 "[ . 1 . 2]" 1
488 1 27 LEU MD2 2 75 ILE HG12 . . 5.500 5.331 5.079 5.549 0.049 4 0 "[ . 1 . 2]" 1
489 1 27 LEU HG 2 13 LEU HB2 . . 5.500 3.581 3.382 3.766 . 0 0 "[ . 1 . 2]" 1
490 1 27 LEU HG 2 13 LEU HB3 . . 5.500 3.198 2.977 3.534 . 0 0 "[ . 1 . 2]" 1
491 1 27 LEU HG 2 13 LEU MD1 . . 5.500 5.241 5.086 5.389 . 0 0 "[ . 1 . 2]" 1
492 1 27 LEU HG 2 13 LEU MD2 . . 5.500 2.814 2.662 2.960 . 0 0 "[ . 1 . 2]" 1
493 1 28 TRP H 1 28 TRP HD1 . . 3.500 3.519 3.463 3.558 0.058 9 0 "[ . 1 . 2]" 1
494 1 28 TRP HA 1 28 TRP HE1 . . 5.500 5.126 4.964 5.257 . 0 0 "[ . 1 . 2]" 1
495 1 28 TRP HA 2 67 ALA HA . . 4.500 4.438 4.285 4.524 0.024 16 0 "[ . 1 . 2]" 1
496 1 28 TRP HA 2 67 ALA MB . . 4.500 4.153 4.075 4.274 . 0 0 "[ . 1 . 2]" 1
497 1 28 TRP HB2 1 28 TRP HE1 . . 5.500 4.870 4.848 4.881 . 0 0 "[ . 1 . 2]" 1
498 1 28 TRP HB3 1 28 TRP HE1 . . 5.500 5.278 5.266 5.291 . 0 0 "[ . 1 . 2]" 1
499 1 28 TRP HE1 2 67 ALA HA . . 4.500 4.423 4.262 4.517 0.017 6 0 "[ . 1 . 2]" 1
500 1 28 TRP HE1 2 67 ALA MB . . 3.500 2.506 2.386 2.634 . 0 0 "[ . 1 . 2]" 1
501 1 28 TRP HE3 1 30 GLY QA . . 4.500 4.349 3.764 4.527 0.027 19 0 "[ . 1 . 2]" 1
502 1 28 TRP HE3 1 31 GLN QB . . 3.500 3.275 2.497 3.555 0.055 17 0 "[ . 1 . 2]" 1
503 1 28 TRP HE3 1 31 GLN QG . . 4.500 2.402 2.189 2.807 . 0 0 "[ . 1 . 2]" 1
504 1 28 TRP HE3 2 62 LYS QE . . 5.500 5.570 5.514 5.618 0.118 12 0 "[ . 1 . 2]" 1
505 1 28 TRP HH2 2 65 GLN HA . . 2.700 2.342 2.196 2.540 . 0 0 "[ . 1 . 2]" 1
506 1 28 TRP HH2 2 65 GLN HB2 . . 5.500 4.589 4.352 4.848 . 0 0 "[ . 1 . 2]" 1
507 1 28 TRP HH2 2 65 GLN HB3 . . 4.500 4.535 4.512 4.575 0.075 1 0 "[ . 1 . 2]" 1
508 1 28 TRP HH2 2 67 ALA HA . . 4.500 4.452 4.252 4.523 0.023 11 0 "[ . 1 . 2]" 1
509 1 28 TRP HH2 2 67 ALA MB . . 4.500 4.413 4.353 4.460 . 0 0 "[ . 1 . 2]" 1
510 1 28 TRP HZ2 2 65 GLN HA . . 3.500 3.520 3.395 3.592 0.092 7 0 "[ . 1 . 2]" 1
511 1 28 TRP HZ2 2 67 ALA HA . . 4.500 3.861 3.736 3.949 . 0 0 "[ . 1 . 2]" 1
512 1 28 TRP HZ2 2 67 ALA MB . . 2.700 2.726 2.713 2.741 0.041 6 0 "[ . 1 . 2]" 1
513 1 28 TRP HZ3 1 31 GLN QG . . 4.500 3.606 3.279 3.854 . 0 0 "[ . 1 . 2]" 1
514 1 28 TRP HZ3 2 62 LYS HA . . 4.500 4.233 3.350 4.565 0.065 1 0 "[ . 1 . 2]" 1
515 1 28 TRP HZ3 2 70 ALA MB . . 5.500 4.231 3.853 4.839 . 0 0 "[ . 1 . 2]" 1
516 1 29 LEU H 1 29 LEU QB . . 3.500 2.376 2.300 2.481 . 0 0 "[ . 1 . 2]" 1
517 1 29 LEU H 1 29 LEU MD1 . . 4.500 2.029 1.925 2.134 . 0 0 "[ . 1 . 2]" 1
518 1 29 LEU HA 1 29 LEU HB3 . . 2.700 2.533 2.471 2.594 . 0 0 "[ . 1 . 2]" 1
519 1 29 LEU HA 1 29 LEU MD1 . . 4.500 3.022 2.859 3.375 . 0 0 "[ . 1 . 2]" 1
520 1 29 LEU HA 1 29 LEU MD2 . . 4.500 3.715 3.584 3.764 . 0 0 "[ . 1 . 2]" 1
521 1 29 LEU HA 1 30 GLY H . . 3.500 3.458 3.366 3.511 0.011 4 0 "[ . 1 . 2]" 1
522 1 29 LEU HA 2 71 SER HA . . 5.500 5.209 4.886 5.483 . 0 0 "[ . 1 . 2]" 1
523 1 29 LEU QB 2 71 SER H . . 5.500 4.684 4.428 4.899 . 0 0 "[ . 1 . 2]" 1
524 1 29 LEU QB 2 74 GLN QB . . 5.500 2.400 2.094 2.789 . 0 0 "[ . 1 . 2]" 1
525 1 29 LEU HB2 1 29 LEU MD1 . . 3.500 2.392 2.296 2.427 . 0 0 "[ . 1 . 2]" 1
526 1 29 LEU MD1 1 34 PHE QR . . 4.500 1.966 1.912 2.004 . 0 0 "[ . 1 . 2]" 1
527 1 29 LEU MD1 2 71 SER H . . 5.500 4.420 4.222 4.603 . 0 0 "[ . 1 . 2]" 1
528 1 29 LEU MD1 2 71 SER HA . . 3.500 2.223 2.063 2.528 . 0 0 "[ . 1 . 2]" 1
529 1 29 LEU MD1 2 71 SER QB . . 3.500 2.587 2.082 2.972 . 0 0 "[ . 1 . 2]" 1
530 1 29 LEU MD2 1 34 PHE QR . . 5.500 3.128 2.930 3.399 . 0 0 "[ . 1 . 2]" 1
531 1 29 LEU MD2 1 36 PHE QR . . 3.500 2.495 2.309 2.639 . 0 0 "[ . 1 . 2]" 1
532 1 29 LEU MD2 2 14 ILE MG . . 3.500 2.319 2.176 2.603 . 0 0 "[ . 1 . 2]" 1
533 1 29 LEU MD2 2 74 GLN HA . . 5.500 4.452 4.317 4.629 . 0 0 "[ . 1 . 2]" 1
534 1 29 LEU MD2 2 75 ILE MD . . 3.500 1.961 1.916 2.026 . 0 0 "[ . 1 . 2]" 1
535 1 30 GLY H 2 70 ALA MB . . 5.500 3.214 2.868 3.594 . 0 0 "[ . 1 . 2]" 1
536 1 30 GLY QA 2 62 LYS QE . . 5.500 4.162 3.356 5.059 . 0 0 "[ . 1 . 2]" 1
537 1 31 GLN H 1 31 GLN HB2 . . 2.700 2.559 2.246 2.739 0.039 12 0 "[ . 1 . 2]" 1
538 1 31 GLN H 2 62 LYS QE . . 5.500 4.481 4.010 5.010 . 0 0 "[ . 1 . 2]" 1
539 1 31 GLN HA 1 31 GLN HB3 . . 2.700 2.588 2.466 2.757 0.057 13 0 "[ . 1 . 2]" 1
540 1 31 GLN HA 1 31 GLN QG . . 2.700 2.526 2.206 2.764 0.064 15 0 "[ . 1 . 2]" 1
541 1 31 GLN HA 1 32 ASN H . . 2.700 2.339 2.253 2.405 . 0 0 "[ . 1 . 2]" 1
542 1 31 GLN HA 1 33 GLU HB2 . . 5.500 5.485 5.180 5.547 0.047 18 0 "[ . 1 . 2]" 1
543 1 31 GLN HA 1 34 PHE H . . 5.500 5.292 5.138 5.464 . 0 0 "[ . 1 . 2]" 1
544 1 31 GLN HA 2 62 LYS HA . . 5.500 4.947 4.021 5.463 . 0 0 "[ . 1 . 2]" 1
545 1 31 GLN HA 2 62 LYS QE . . 5.500 2.231 2.022 2.559 . 0 0 "[ . 1 . 2]" 1
546 1 31 GLN HB2 1 32 ASN H . . 4.500 3.859 3.739 3.987 . 0 0 "[ . 1 . 2]" 1
547 1 31 GLN HB3 1 32 ASN H . . 2.700 2.565 2.439 2.725 0.025 17 0 "[ . 1 . 2]" 1
548 1 31 GLN HB3 1 33 GLU HA . . 5.500 5.098 4.749 5.436 . 0 0 "[ . 1 . 2]" 1
549 1 31 GLN HB3 1 34 PHE H . . 4.500 4.424 4.040 4.564 0.064 18 0 "[ . 1 . 2]" 1
550 1 31 GLN QG 1 32 ASN H . . 4.500 3.947 3.607 4.299 . 0 0 "[ . 1 . 2]" 1
551 1 31 GLN QG 2 62 LYS QE . . 5.500 2.852 2.061 3.463 . 0 0 "[ . 1 . 2]" 1
552 1 32 ASN H 1 32 ASN HB2 . . 2.700 2.421 2.250 2.558 . 0 0 "[ . 1 . 2]" 1
553 1 32 ASN H 1 32 ASN HB3 . . 3.500 2.499 2.233 2.766 . 0 0 "[ . 1 . 2]" 1
554 1 32 ASN H 1 32 ASN HD21 . . 5.500 4.592 4.290 4.750 . 0 0 "[ . 1 . 2]" 1
555 1 32 ASN HA 2 62 LYS QE . . 5.500 5.526 5.506 5.566 0.066 7 0 "[ . 1 . 2]" 1
556 1 32 ASN HB2 1 32 ASN HD21 . . 3.500 2.981 2.282 3.592 0.092 12 0 "[ . 1 . 2]" 1
557 1 33 GLU H 1 33 GLU HA . . 2.700 2.786 2.767 2.807 0.107 4 0 "[ . 1 . 2]" 1
558 1 33 GLU HA 1 34 PHE H . . 3.500 3.528 3.489 3.542 0.042 16 0 "[ . 1 . 2]" 1
559 1 33 GLU HA 1 34 PHE HA . . 4.500 4.529 4.503 4.553 0.053 17 0 "[ . 1 . 2]" 1
560 1 33 GLU HA 1 35 ASP H . . 5.500 5.147 4.910 5.352 . 0 0 "[ . 1 . 2]" 1
561 1 33 GLU QB 1 35 ASP H . . 5.500 5.523 5.416 5.571 0.071 9 0 "[ . 1 . 2]" 1
562 1 33 GLU HB2 1 34 PHE H . . 4.500 3.009 2.838 3.269 . 0 0 "[ . 1 . 2]" 1
563 1 34 PHE H 1 34 PHE HB2 . . 3.500 3.435 3.339 3.503 0.003 1 0 "[ . 1 . 2]" 1
564 1 34 PHE H 1 34 PHE QD . . 4.500 4.513 4.474 4.524 0.024 15 0 "[ . 1 . 2]" 1
565 1 34 PHE H 1 35 ASP H . . 3.500 3.333 3.143 3.552 0.052 9 0 "[ . 1 . 2]" 1
566 1 34 PHE H 1 36 PHE H . . 5.500 5.130 4.980 5.318 . 0 0 "[ . 1 . 2]" 1
567 1 34 PHE HA 1 34 PHE QE . . 5.500 4.451 4.325 4.538 . 0 0 "[ . 1 . 2]" 1
568 1 34 PHE HA 1 35 ASP H . . 2.700 2.243 2.099 2.317 . 0 0 "[ . 1 . 2]" 1
569 1 34 PHE HA 1 36 PHE HA . . 5.500 4.883 4.563 5.271 . 0 0 "[ . 1 . 2]" 1
570 1 34 PHE HB2 1 35 ASP H . . 4.500 4.536 4.414 4.579 0.079 17 0 "[ . 1 . 2]" 1
571 1 34 PHE HB3 1 34 PHE HE1 . . 5.500 5.546 5.534 5.555 0.055 2 0 "[ . 1 . 2]" 1
572 1 34 PHE HB3 1 35 ASP H . . 4.500 4.521 4.491 4.530 0.030 6 0 "[ . 1 . 2]" 1
573 1 34 PHE HB3 1 36 PHE H . . 4.500 4.466 4.302 4.542 0.042 10 0 "[ . 1 . 2]" 1
574 1 34 PHE QR 2 6 ALA MB . . 4.500 2.599 1.978 3.924 . 0 0 "[ . 1 . 2]" 1
575 1 34 PHE QR 2 10 LYS HA . . 5.500 4.321 4.247 4.415 . 0 0 "[ . 1 . 2]" 1
576 1 34 PHE QD 2 14 ILE MD . . 5.500 5.427 5.129 5.516 0.016 15 0 "[ . 1 . 2]" 1
577 1 34 PHE QD 2 14 ILE MG . . 4.500 3.936 3.806 4.116 . 0 0 "[ . 1 . 2]" 1
578 1 34 PHE QD 2 75 ILE MD . . 5.500 5.539 5.504 5.586 0.086 19 0 "[ . 1 . 2]" 1
579 1 34 PHE QE 2 14 ILE MD . . 5.500 3.635 3.271 3.850 . 0 0 "[ . 1 . 2]" 1
580 1 34 PHE QE 2 14 ILE MG . . 3.500 2.126 2.056 2.339 . 0 0 "[ . 1 . 2]" 1
581 1 34 PHE QE 2 75 ILE MD . . 4.500 4.383 4.191 4.529 0.029 6 0 "[ . 1 . 2]" 1
582 1 34 PHE HE1 2 11 ARG HA . . 5.500 4.323 3.812 4.984 . 0 0 "[ . 1 . 2]" 1
583 1 35 ASP H 1 35 ASP HB3 . . 3.500 2.669 2.525 2.888 . 0 0 "[ . 1 . 2]" 1
584 1 35 ASP H 1 36 PHE H . . 4.500 3.644 3.448 3.819 . 0 0 "[ . 1 . 2]" 1
585 1 35 ASP H 1 36 PHE HA . . 5.500 4.868 4.666 5.035 . 0 0 "[ . 1 . 2]" 1
586 1 35 ASP HA 1 38 THR H . . 4.500 4.541 4.306 4.608 0.108 4 0 "[ . 1 . 2]" 1
587 1 35 ASP HA 2 6 ALA MB . . 5.500 5.108 4.185 5.520 0.020 1 0 "[ . 1 . 2]" 1
588 1 35 ASP HB2 1 36 PHE H . . 4.500 4.487 4.232 4.537 0.037 15 0 "[ . 1 . 2]" 1
589 1 35 ASP HB3 1 36 PHE H . . 4.500 4.437 4.371 4.575 0.075 9 0 "[ . 1 . 2]" 1
590 1 36 PHE H 1 38 THR H . . 4.500 4.553 4.451 4.619 0.119 7 0 "[ . 1 . 2]" 1
591 1 36 PHE HA 2 6 ALA MB . . 5.500 2.984 2.264 3.670 . 0 0 "[ . 1 . 2]" 1
592 1 36 PHE QB 2 6 ALA MB . . 5.500 4.290 3.621 4.976 . 0 0 "[ . 1 . 2]" 1
593 1 36 PHE QR 2 78 HIS H . . 5.500 3.933 3.652 4.536 . 0 0 "[ . 1 . 2]" 1
594 1 36 PHE QR 2 78 HIS HA . . 4.500 4.528 4.499 4.576 0.076 12 0 "[ . 1 . 2]" 1
595 1 36 PHE QR 2 78 HIS HB2 . . 2.700 2.500 2.348 2.690 . 0 0 "[ . 1 . 2]" 1
596 1 36 PHE QR 2 78 HIS HB3 . . 3.500 2.568 2.408 2.871 . 0 0 "[ . 1 . 2]" 1
597 1 36 PHE QD 1 38 THR H . . 4.500 4.513 4.397 4.553 0.053 19 0 "[ . 1 . 2]" 1
598 1 36 PHE QD 2 14 ILE HB . . 5.500 3.923 3.599 4.415 . 0 0 "[ . 1 . 2]" 1
599 1 36 PHE QD 2 14 ILE MD . . 3.500 2.137 2.081 2.222 . 0 0 "[ . 1 . 2]" 1
600 1 36 PHE QD 2 14 ILE MG . . 5.500 2.763 2.529 3.147 . 0 0 "[ . 1 . 2]" 1
601 1 36 PHE QD 2 75 ILE HA . . 4.500 4.515 4.410 4.587 0.087 7 0 "[ . 1 . 2]" 1
602 1 36 PHE QD 2 75 ILE MD . . 4.500 3.381 3.047 3.631 . 0 0 "[ . 1 . 2]" 1
603 1 36 PHE QD 2 89 VAL MG2 . . 4.500 4.107 3.803 4.372 . 0 0 "[ . 1 . 2]" 1
604 1 36 PHE QE 2 14 ILE HB . . 5.500 5.009 4.686 5.439 . 0 0 "[ . 1 . 2]" 1
605 1 36 PHE QE 2 14 ILE MD . . 3.500 3.528 3.469 3.558 0.058 9 0 "[ . 1 . 2]" 1
606 1 36 PHE QE 2 75 ILE HA . . 3.500 2.984 2.669 3.543 0.043 9 0 "[ . 1 . 2]" 1
607 1 36 PHE QE 2 75 ILE MD . . 3.500 3.302 3.030 3.517 0.017 20 0 "[ . 1 . 2]" 1
608 1 37 MET HA 2 6 ALA MB . . 5.500 4.308 2.787 5.555 0.055 14 0 "[ . 1 . 2]" 1
609 1 37 MET ME 2 11 ARG HB2 . . 5.500 5.405 4.768 5.622 0.122 13 0 "[ . 1 . 2]" 1
610 1 37 MET ME 2 11 ARG HB3 . . 5.500 4.810 4.149 5.584 0.084 11 0 "[ . 1 . 2]" 1
611 1 37 MET ME 2 14 ILE MD . . 3.500 2.095 1.979 2.348 . 0 0 "[ . 1 . 2]" 1
612 1 37 MET ME 2 14 ILE QG . . 4.500 3.685 3.524 3.930 . 0 0 "[ . 1 . 2]" 1
613 1 37 MET ME 2 75 ILE MD . . 5.500 4.985 4.588 5.511 0.011 17 0 "[ . 1 . 2]" 1
614 1 37 MET ME 2 75 ILE MG . . 5.500 5.326 5.035 5.511 0.011 2 0 "[ . 1 . 2]" 1
615 1 37 MET ME 2 78 HIS HD2 . . 5.500 4.337 3.824 4.774 . 0 0 "[ . 1 . 2]" 1
616 1 37 MET ME 2 78 HIS HE1 . . 4.500 4.182 3.662 4.529 0.029 13 0 "[ . 1 . 2]" 1
617 1 37 MET ME 2 88 PRO HB2 . . 3.500 2.806 2.339 3.516 0.016 1 0 "[ . 1 . 2]" 1
618 1 37 MET ME 2 88 PRO HD2 . . 4.500 3.057 2.458 3.739 . 0 0 "[ . 1 . 2]" 1
619 1 37 MET ME 2 88 PRO QG . . 4.500 3.294 2.663 3.902 . 0 0 "[ . 1 . 2]" 1
620 1 37 MET ME 2 89 VAL HB . . 4.500 3.389 2.924 3.921 . 0 0 "[ . 1 . 2]" 1
621 1 37 MET ME 2 89 VAL MG1 . . 5.500 4.163 3.832 4.457 . 0 0 "[ . 1 . 2]" 1
622 1 37 MET ME 2 89 VAL MG2 . . 3.500 2.527 2.164 2.889 . 0 0 "[ . 1 . 2]" 1
623 1 38 THR H 1 38 THR MG . . 4.500 2.920 2.318 3.868 . 0 0 "[ . 1 . 2]" 1
624 1 38 THR H 1 39 ASP H . . 5.500 4.357 2.854 4.712 . 0 0 "[ . 1 . 2]" 1
625 1 38 THR MG 1 39 ASP H . . 3.500 3.148 2.380 3.621 0.121 13 0 "[ . 1 . 2]" 1
626 1 38 THR MG 1 39 ASP HA . . 4.500 3.944 3.236 4.525 0.025 19 0 "[ . 1 . 2]" 1
627 1 38 THR MG 2 5 THR HA . . 5.500 4.322 2.011 5.203 . 0 0 "[ . 1 . 2]" 1
628 1 38 THR MG 2 5 THR HB . . 5.500 2.911 2.016 4.866 . 0 0 "[ . 1 . 2]" 1
629 1 38 THR MG 2 5 THR MG . . 2.700 2.511 2.032 2.758 0.058 10 0 "[ . 1 . 2]" 1
630 1 38 THR MG 2 6 ALA HA . . 5.500 4.870 3.221 5.576 0.076 13 0 "[ . 1 . 2]" 1
631 1 39 ASP HA 1 41 VAL QG . . 4.500 3.975 2.696 4.554 0.054 17 0 "[ . 1 . 2]" 1
632 1 40 PHE QR 2 4 PRO QG . . 4.500 3.788 2.413 4.572 0.072 10 0 "[ . 1 . 2]" 1
633 1 40 PHE QR 2 5 THR MG . . 5.500 4.619 3.501 5.533 0.033 15 0 "[ . 1 . 2]" 1
634 1 41 VAL H 1 41 VAL MG1 . . 4.500 2.946 1.987 3.825 . 0 0 "[ . 1 . 2]" 1
635 1 41 VAL H 1 41 VAL QG . . 2.700 2.172 1.824 2.376 . 0 0 "[ . 1 . 2]" 1
636 1 41 VAL H 1 42 CYS H . . 3.500 2.452 1.934 3.566 0.066 13 0 "[ . 1 . 2]" 1
637 1 41 VAL HA 1 41 VAL MG1 . . 3.500 2.331 2.234 2.394 . 0 0 "[ . 1 . 2]" 1
638 1 41 VAL HA 1 41 VAL MG2 . . 3.500 3.223 2.400 3.274 . 0 0 "[ . 1 . 2]" 1
639 1 41 VAL HA 1 42 CYS H . . 3.500 3.088 2.227 3.514 0.014 10 0 "[ . 1 . 2]" 1
640 1 41 VAL HB 1 42 CYS H . . 4.500 4.341 4.021 4.505 0.005 17 0 "[ . 1 . 2]" 1
641 1 41 VAL MG1 1 42 CYS H . . 4.500 4.298 3.904 4.470 . 0 0 "[ . 1 . 2]" 1
642 1 42 CYS H 1 42 CYS HB2 . . 3.500 2.589 2.139 3.543 0.043 17 0 "[ . 1 . 2]" 1
643 1 42 CYS H 1 42 CYS HB3 . . 3.500 3.153 2.269 3.561 0.061 18 0 "[ . 1 . 2]" 1
644 1 42 CYS HA 1 43 LYS H . . 3.500 2.672 2.128 3.544 0.044 10 0 "[ . 1 . 2]" 1
645 1 44 GLN HA 1 44 GLN HG2 . . 4.500 3.266 2.445 3.818 . 0 0 "[ . 1 . 2]" 1
646 1 44 GLN HA 1 45 GLN H . . 3.500 2.627 2.193 3.535 0.035 13 0 "[ . 1 . 2]" 1
647 1 45 GLN HA 1 45 GLN HG2 . . 4.500 2.788 2.389 3.785 . 0 0 "[ . 1 . 2]" 1
648 1 45 GLN HA 1 46 PRO HD2 . . 3.500 2.597 2.222 3.157 . 0 0 "[ . 1 . 2]" 1
649 1 45 GLN HA 1 46 PRO HD3 . . 2.700 2.208 1.981 2.540 . 0 0 "[ . 1 . 2]" 1
650 1 45 GLN HA 1 46 PRO HG2 . . 4.500 4.539 4.433 4.631 0.131 18 0 "[ . 1 . 2]" 1
651 1 45 GLN HG2 1 46 PRO HD3 . . 4.500 4.159 3.600 4.606 0.106 17 0 "[ . 1 . 2]" 1
652 1 46 PRO HA 1 46 PRO HD3 . . 4.500 3.626 3.476 3.771 . 0 0 "[ . 1 . 2]" 1
653 1 46 PRO HA 1 49 VAL H . . 5.500 4.990 3.570 5.613 0.113 5 0 "[ . 1 . 2]" 1
654 1 46 PRO HB2 1 47 SER H . . 3.500 3.025 2.220 3.556 0.056 8 0 "[ . 1 . 2]" 1
655 1 46 PRO HB3 1 47 SER H . . 3.500 3.234 2.678 3.646 0.146 9 0 "[ . 1 . 2]" 1
656 1 46 PRO HD2 1 46 PRO HG2 . . 2.700 2.344 2.322 2.369 . 0 0 "[ . 1 . 2]" 1
657 1 48 ARG H 1 48 ARG HG2 . . 4.500 3.511 2.250 4.577 0.077 15 0 "[ . 1 . 2]" 1
658 1 48 ARG HA 1 48 ARG HD2 . . 5.500 4.300 2.246 5.539 0.039 19 0 "[ . 1 . 2]" 1
659 1 48 ARG HA 1 48 ARG HG2 . . 4.500 3.124 2.433 3.853 . 0 0 "[ . 1 . 2]" 1
660 1 49 VAL H 1 50 SER H . . 3.500 2.506 1.910 2.898 . 0 0 "[ . 1 . 2]" 1
661 1 49 VAL H 1 50 SER HA . . 5.500 5.134 4.492 5.541 0.041 6 0 "[ . 1 . 2]" 1
662 1 49 VAL HA 1 49 VAL MG2 . . 3.500 2.841 2.314 3.273 . 0 0 "[ . 1 . 2]" 1
663 1 49 VAL HA 1 50 SER H . . 3.500 3.454 3.163 3.566 0.066 9 0 "[ . 1 . 2]" 1
664 1 49 VAL HB 1 50 SER H . . 4.500 3.619 2.613 4.453 . 0 0 "[ . 1 . 2]" 1
665 1 49 VAL QG 1 50 SER H . . 3.500 3.099 2.511 3.525 0.025 17 0 "[ . 1 . 2]" 1
666 1 49 VAL MG1 1 50 SER H . . 5.500 3.957 2.538 4.400 . 0 0 "[ . 1 . 2]" 1
667 2 1 ALA MB 2 2 THR HA . . 4.500 4.363 3.996 4.507 0.007 10 0 "[ . 1 . 2]" 1
668 2 1 ALA MB 2 2 THR HB . . 5.500 5.315 4.754 5.530 0.030 19 0 "[ . 1 . 2]" 1
669 2 2 THR H 2 2 THR MG . . 2.700 2.425 2.270 2.782 0.082 18 0 "[ . 1 . 2]" 1
670 2 2 THR HA 2 2 THR HB . . 2.700 2.528 2.420 2.611 . 0 0 "[ . 1 . 2]" 1
671 2 2 THR HA 2 2 THR MG . . 2.700 2.324 2.261 2.416 . 0 0 "[ . 1 . 2]" 1
672 2 2 THR HA 2 3 GLY H . . 3.500 3.247 2.342 3.537 0.037 10 0 "[ . 1 . 2]" 1
673 2 3 GLY HA3 2 4 PRO QD . . 2.700 2.752 2.110 3.585 0.885 5 6 "[ -+ 1* *.** 2]" 1
674 2 4 PRO HA 2 4 PRO QD . . 3.500 3.324 3.203 3.363 . 0 0 "[ . 1 . 2]" 1
675 2 4 PRO HA 2 5 THR H . . 3.500 2.911 2.177 3.528 0.028 2 0 "[ . 1 . 2]" 1
676 2 4 PRO HA 2 6 ALA H . . 5.500 4.851 3.949 5.556 0.056 20 0 "[ . 1 . 2]" 1
677 2 4 PRO HB2 2 5 THR H . . 5.500 3.148 2.348 4.503 . 0 0 "[ . 1 . 2]" 1
678 2 4 PRO HB3 2 5 THR H . . 5.500 3.909 3.215 4.725 . 0 0 "[ . 1 . 2]" 1
679 2 4 PRO QD 2 5 THR H . . 5.500 3.867 2.605 4.946 . 0 0 "[ . 1 . 2]" 1
680 2 4 PRO HG2 2 5 THR H . . 4.500 3.526 2.228 4.541 0.041 5 0 "[ . 1 . 2]" 1
681 2 4 PRO HG2 2 6 ALA MB . . 5.500 4.756 3.347 5.587 0.087 20 0 "[ . 1 . 2]" 1
682 2 5 THR H 2 5 THR HB . . 3.500 2.818 2.114 3.226 . 0 0 "[ . 1 . 2]" 1
683 2 5 THR H 2 5 THR MG . . 4.500 3.827 3.597 4.105 . 0 0 "[ . 1 . 2]" 1
684 2 5 THR H 2 6 ALA MB . . 5.500 4.452 3.173 5.600 0.100 10 0 "[ . 1 . 2]" 1
685 2 5 THR HA 2 5 THR MG . . 3.500 2.367 2.190 2.789 . 0 0 "[ . 1 . 2]" 1
686 2 5 THR HA 2 6 ALA H . . 3.500 3.173 1.995 3.578 0.078 15 0 "[ . 1 . 2]" 1
687 2 5 THR HA 2 6 ALA MB . . 5.500 4.583 3.660 5.039 . 0 0 "[ . 1 . 2]" 1
688 2 5 THR HB 2 6 ALA H . . 4.500 3.339 2.535 4.461 . 0 0 "[ . 1 . 2]" 1
689 2 5 THR MG 2 6 ALA H . . 4.500 3.772 3.026 4.416 . 0 0 "[ . 1 . 2]" 1
690 2 6 ALA H 2 6 ALA MB . . 2.700 2.423 2.055 2.712 0.012 12 0 "[ . 1 . 2]" 1
691 2 6 ALA HA 2 7 ASP H . . 3.500 2.451 2.094 3.385 . 0 0 "[ . 1 . 2]" 1
692 2 6 ALA MB 2 7 ASP H . . 4.500 3.170 2.202 3.793 . 0 0 "[ . 1 . 2]" 1
693 2 6 ALA MB 2 7 ASP HA . . 5.500 4.442 4.034 4.773 . 0 0 "[ . 1 . 2]" 1
694 2 6 ALA MB 2 8 PRO HD3 . . 5.500 4.909 3.123 5.504 0.004 10 0 "[ . 1 . 2]" 1
695 2 7 ASP H 2 7 ASP HB2 . . 3.500 2.713 2.326 3.238 . 0 0 "[ . 1 . 2]" 1
696 2 7 ASP H 2 7 ASP HB3 . . 2.700 2.593 2.311 2.797 0.097 6 0 "[ . 1 . 2]" 1
697 2 7 ASP H 2 8 PRO HD2 . . 5.500 4.992 4.183 5.299 . 0 0 "[ . 1 . 2]" 1
698 2 7 ASP HA 2 8 PRO HD2 . . 3.500 2.646 2.320 2.977 . 0 0 "[ . 1 . 2]" 1
699 2 7 ASP HA 2 8 PRO HD3 . . 2.700 2.263 2.063 2.816 0.116 1 0 "[ . 1 . 2]" 1
700 2 7 ASP HA 2 8 PRO HG2 . . 5.500 4.645 4.498 5.080 . 0 0 "[ . 1 . 2]" 1
701 2 7 ASP HB2 2 8 PRO HD2 . . 5.500 4.413 3.595 5.380 . 0 0 "[ . 1 . 2]" 1
702 2 7 ASP HB2 2 8 PRO HD3 . . 4.500 4.489 4.361 4.612 0.112 14 0 "[ . 1 . 2]" 1
703 2 8 PRO HA 2 8 PRO HD2 . . 4.500 3.885 3.827 4.070 . 0 0 "[ . 1 . 2]" 1
704 2 8 PRO HA 2 9 GLU H . . 4.500 3.460 2.675 3.650 . 0 0 "[ . 1 . 2]" 1
705 2 8 PRO HA 2 11 ARG H . . 5.500 3.707 3.167 4.861 . 0 0 "[ . 1 . 2]" 1
706 2 8 PRO HB2 2 9 GLU H . . 3.500 2.759 1.986 3.540 0.040 9 0 "[ . 1 . 2]" 1
707 2 8 PRO QD 2 9 GLU H . . 4.500 3.282 2.869 4.362 . 0 0 "[ . 1 . 2]" 1
708 2 8 PRO HD2 2 9 GLU H . . 4.500 3.380 2.931 4.591 0.091 6 0 "[ . 1 . 2]" 1
709 2 8 PRO HD3 2 11 ARG HB2 . . 5.500 5.198 3.661 5.559 0.059 11 0 "[ . 1 . 2]" 1
710 2 8 PRO HG3 2 9 GLU H . . 5.500 4.709 4.113 4.909 . 0 0 "[ . 1 . 2]" 1
711 2 9 GLU H 2 9 GLU HB2 . . 2.700 2.509 2.221 2.677 . 0 0 "[ . 1 . 2]" 1
712 2 9 GLU H 2 10 LYS H . . 3.500 2.607 2.468 2.827 . 0 0 "[ . 1 . 2]" 1
713 2 9 GLU H 2 10 LYS HG2 . . 5.500 4.412 4.185 4.594 . 0 0 "[ . 1 . 2]" 1
714 2 9 GLU H 2 11 ARG H . . 4.500 4.060 3.811 4.528 0.028 14 0 "[ . 1 . 2]" 1
715 2 9 GLU HA 2 12 LYS HD2 . . 4.500 3.744 3.186 4.501 0.001 17 0 "[ . 1 . 2]" 1
716 2 9 GLU HA 2 12 LYS HG2 . . 4.500 4.553 4.210 4.621 0.121 6 0 "[ . 1 . 2]" 1
717 2 9 GLU HB2 2 10 LYS HE2 . . 4.500 4.460 4.017 4.634 0.134 8 0 "[ . 1 . 2]" 1
718 2 10 LYS H 2 10 LYS HD2 . . 5.500 4.564 2.627 4.888 . 0 0 "[ . 1 . 2]" 1
719 2 10 LYS H 2 11 ARG HA . . 5.500 5.329 5.269 5.444 . 0 0 "[ . 1 . 2]" 1
720 2 10 LYS HA 2 10 LYS HE2 . . 5.500 1.976 1.935 2.180 . 0 0 "[ . 1 . 2]" 1
721 2 10 LYS HA 2 13 LEU HB2 . . 3.500 2.297 2.233 2.351 . 0 0 "[ . 1 . 2]" 1
722 2 10 LYS HA 2 13 LEU HB3 . . 4.500 3.777 3.697 3.827 . 0 0 "[ . 1 . 2]" 1
723 2 10 LYS HA 2 13 LEU MD1 . . 4.500 4.007 3.882 4.117 . 0 0 "[ . 1 . 2]" 1
724 2 10 LYS HB3 2 10 LYS HE2 . . 4.500 3.409 2.648 3.733 . 0 0 "[ . 1 . 2]" 1
725 2 10 LYS QD 2 13 LEU MD2 . . 4.500 3.544 2.962 3.720 . 0 0 "[ . 1 . 2]" 1
726 2 10 LYS QE 2 13 LEU MD2 . . 4.500 2.006 1.967 2.049 . 0 0 "[ . 1 . 2]" 1
727 2 10 LYS HE2 2 10 LYS HG2 . . 3.500 3.120 2.872 3.630 0.130 8 0 "[ . 1 . 2]" 1
728 2 11 ARG H 2 11 ARG HD2 . . 5.500 4.814 4.214 5.344 . 0 0 "[ . 1 . 2]" 1
729 2 11 ARG HA 2 11 ARG HD2 . . 4.500 4.219 2.796 4.625 0.125 4 0 "[ . 1 . 2]" 1
730 2 11 ARG HA 2 14 ILE HB . . 5.500 4.870 4.634 5.109 . 0 0 "[ . 1 . 2]" 1
731 2 11 ARG HA 2 14 ILE MD . . 4.500 2.979 2.533 3.204 . 0 0 "[ . 1 . 2]" 1
732 2 11 ARG HB3 2 12 LYS HA . . 4.500 4.524 4.437 4.649 0.149 4 0 "[ . 1 . 2]" 1
733 2 11 ARG HG2 2 14 ILE MG . . 4.500 4.286 3.712 4.533 0.033 9 0 "[ . 1 . 2]" 1
734 2 12 LYS HA 2 12 LYS HG2 . . 3.500 3.304 3.205 3.481 . 0 0 "[ . 1 . 2]" 1
735 2 12 LYS HA 2 15 GLN HB2 . . 3.500 2.984 2.918 3.101 . 0 0 "[ . 1 . 2]" 1
736 2 12 LYS HA 2 15 GLN HB3 . . 4.500 4.560 4.515 4.622 0.122 14 0 "[ . 1 . 2]" 1
737 2 13 LEU H 2 13 LEU HB2 . . 3.500 2.185 2.169 2.204 . 0 0 "[ . 1 . 2]" 1
738 2 13 LEU H 2 13 LEU MD1 . . 2.700 2.683 2.640 2.719 0.019 14 0 "[ . 1 . 2]" 1
739 2 13 LEU HA 2 13 LEU HB3 . . 2.700 2.658 2.640 2.673 . 0 0 "[ . 1 . 2]" 1
740 2 13 LEU HA 2 13 LEU MD1 . . 2.700 2.148 2.106 2.181 . 0 0 "[ . 1 . 2]" 1
741 2 13 LEU HA 2 13 LEU MD2 . . 4.500 3.803 3.787 3.819 . 0 0 "[ . 1 . 2]" 1
742 2 13 LEU HA 2 16 GLN HB2 . . 4.500 3.393 2.764 3.688 . 0 0 "[ . 1 . 2]" 1
743 2 13 LEU HA 2 16 GLN HB3 . . 4.500 2.232 2.133 2.329 . 0 0 "[ . 1 . 2]" 1
744 2 13 LEU HA 2 16 GLN HG2 . . 5.500 4.950 4.544 5.169 . 0 0 "[ . 1 . 2]" 1
745 2 13 LEU HA 2 16 GLN HG3 . . 5.500 4.509 4.249 4.968 . 0 0 "[ . 1 . 2]" 1
746 2 13 LEU HB2 2 13 LEU MD2 . . 3.500 2.234 2.215 2.253 . 0 0 "[ . 1 . 2]" 1
747 2 13 LEU HB3 2 13 LEU MD2 . . 2.700 2.481 2.457 2.537 . 0 0 "[ . 1 . 2]" 1
748 2 13 LEU MD1 2 16 GLN HB2 . . 5.500 3.902 3.379 4.213 . 0 0 "[ . 1 . 2]" 1
749 2 13 LEU MD1 2 16 GLN HB3 . . 5.500 3.450 3.256 3.619 . 0 0 "[ . 1 . 2]" 1
750 2 13 LEU MD1 2 16 GLN HG2 . . 5.500 5.274 4.974 5.506 0.006 1 0 "[ . 1 . 2]" 1
751 2 14 ILE H 2 14 ILE MD . . 4.500 4.002 3.818 4.132 . 0 0 "[ . 1 . 2]" 1
752 2 14 ILE H 2 15 GLN H . . 3.500 2.739 2.624 2.811 . 0 0 "[ . 1 . 2]" 1
753 2 14 ILE H 2 16 GLN H . . 4.500 4.192 4.046 4.299 . 0 0 "[ . 1 . 2]" 1
754 2 14 ILE H 2 17 GLN H . . 5.500 4.693 4.610 4.785 . 0 0 "[ . 1 . 2]" 1
755 2 14 ILE HA 2 14 ILE MD . . 4.500 4.190 4.160 4.218 . 0 0 "[ . 1 . 2]" 1
756 2 14 ILE HA 2 75 ILE HG12 . . 5.500 5.200 4.979 5.450 . 0 0 "[ . 1 . 2]" 1
757 2 14 ILE HB 2 89 VAL MG2 . . 5.500 3.541 3.305 3.717 . 0 0 "[ . 1 . 2]" 1
758 2 14 ILE MD 2 89 VAL MG2 . . 5.500 2.227 2.079 2.473 . 0 0 "[ . 1 . 2]" 1
759 2 14 ILE MG 2 89 VAL MG2 . . 4.500 4.288 4.116 4.453 . 0 0 "[ . 1 . 2]" 1
760 2 15 GLN H 2 15 GLN HB2 . . 2.700 2.348 2.277 2.417 . 0 0 "[ . 1 . 2]" 1
761 2 15 GLN H 2 15 GLN HB3 . . 3.500 3.557 3.536 3.572 0.072 17 0 "[ . 1 . 2]" 1
762 2 15 GLN H 2 16 GLN H . . 3.500 2.610 2.546 2.695 . 0 0 "[ . 1 . 2]" 1
763 2 15 GLN H 2 17 GLN H . . 5.500 4.127 4.009 4.258 . 0 0 "[ . 1 . 2]" 1
764 2 15 GLN H 2 18 LEU H . . 5.500 4.686 4.552 4.798 . 0 0 "[ . 1 . 2]" 1
765 2 15 GLN HA 2 15 GLN HB3 . . 2.700 2.546 2.506 2.609 . 0 0 "[ . 1 . 2]" 1
766 2 15 GLN HA 2 15 GLN HG2 . . 4.500 2.565 2.445 2.618 . 0 0 "[ . 1 . 2]" 1
767 2 15 GLN HA 2 15 GLN HG3 . . 3.500 2.902 2.766 3.043 . 0 0 "[ . 1 . 2]" 1
768 2 15 GLN HA 2 18 LEU HB2 . . 3.500 3.246 3.016 3.393 . 0 0 "[ . 1 . 2]" 1
769 2 15 GLN HA 2 18 LEU HB3 . . 3.500 2.610 2.323 2.846 . 0 0 "[ . 1 . 2]" 1
770 2 15 GLN HA 2 18 LEU MD2 . . 4.500 2.813 2.604 2.987 . 0 0 "[ . 1 . 2]" 1
771 2 15 GLN HA 2 89 VAL MG1 . . 5.500 4.602 4.354 4.807 . 0 0 "[ . 1 . 2]" 1
772 2 15 GLN HA 2 89 VAL MG2 . . 3.500 3.353 3.046 3.505 0.005 7 0 "[ . 1 . 2]" 1
773 2 15 GLN HG2 2 89 VAL MG2 . . 3.500 3.236 2.901 3.502 0.002 6 0 "[ . 1 . 2]" 1
774 2 15 GLN HG3 2 89 VAL MG2 . . 3.500 3.318 2.904 3.536 0.036 14 0 "[ . 1 . 2]" 1
775 2 16 GLN H 2 17 GLN H . . 3.500 2.676 2.560 2.778 . 0 0 "[ . 1 . 2]" 1
776 2 16 GLN H 2 18 LEU H . . 4.500 4.194 4.091 4.287 . 0 0 "[ . 1 . 2]" 1
777 2 16 GLN H 2 19 VAL H . . 5.500 5.053 4.921 5.193 . 0 0 "[ . 1 . 2]" 1
778 2 16 GLN HA 2 16 GLN HG2 . . 4.500 2.842 2.590 3.208 . 0 0 "[ . 1 . 2]" 1
779 2 16 GLN HA 2 16 GLN HG3 . . 3.500 3.353 2.730 3.636 0.136 14 0 "[ . 1 . 2]" 1
780 2 16 GLN HA 2 19 VAL HB . . 3.500 3.211 2.972 3.545 0.045 12 0 "[ . 1 . 2]" 1
781 2 16 GLN HG2 2 20 LEU H . . 5.500 4.709 4.490 5.041 . 0 0 "[ . 1 . 2]" 1
782 2 16 GLN HG2 2 20 LEU MD2 . . 4.500 4.398 3.994 4.547 0.047 12 0 "[ . 1 . 2]" 1
783 2 17 GLN H 2 17 GLN HB2 . . 2.700 2.441 2.225 2.707 0.007 6 0 "[ . 1 . 2]" 1
784 2 17 GLN H 2 18 LEU H . . 3.500 2.777 2.685 2.839 . 0 0 "[ . 1 . 2]" 1
785 2 17 GLN H 2 18 LEU HA . . 5.500 5.415 5.337 5.466 . 0 0 "[ . 1 . 2]" 1
786 2 17 GLN H 2 19 VAL H . . 5.500 4.532 4.441 4.660 . 0 0 "[ . 1 . 2]" 1
787 2 17 GLN HA 2 20 LEU H . . 4.500 3.641 3.373 3.842 . 0 0 "[ . 1 . 2]" 1
788 2 17 GLN HA 2 20 LEU HB2 . . 4.500 2.835 2.472 3.088 . 0 0 "[ . 1 . 2]" 1
789 2 17 GLN HA 2 20 LEU QB . . 3.500 2.805 2.453 3.051 . 0 0 "[ . 1 . 2]" 1
790 2 17 GLN HA 2 20 LEU HB3 . . 5.500 4.464 4.094 4.742 . 0 0 "[ . 1 . 2]" 1
791 2 17 GLN HA 2 20 LEU MD1 . . 4.500 3.000 2.494 3.539 . 0 0 "[ . 1 . 2]" 1
792 2 17 GLN HA 2 48 MET ME . . 4.500 4.064 3.269 4.549 0.049 8 0 "[ . 1 . 2]" 1
793 2 18 LEU H 2 19 VAL H . . 4.500 2.993 2.912 3.109 . 0 0 "[ . 1 . 2]" 1
794 2 18 LEU H 2 20 LEU H . . 5.500 4.469 4.345 4.606 . 0 0 "[ . 1 . 2]" 1
795 2 18 LEU HA 2 18 LEU MD1 . . 3.500 2.381 2.317 2.458 . 0 0 "[ . 1 . 2]" 1
796 2 18 LEU HA 2 89 VAL MG1 . . 5.500 5.086 4.960 5.318 . 0 0 "[ . 1 . 2]" 1
797 2 18 LEU HA 2 89 VAL MG2 . . 5.500 5.515 5.427 5.553 0.053 10 0 "[ . 1 . 2]" 1
798 2 18 LEU HB2 2 89 VAL MG2 . . 5.500 3.485 3.401 3.541 . 0 0 "[ . 1 . 2]" 1
799 2 18 LEU MD1 2 75 ILE HB . . 5.500 4.097 3.899 4.330 . 0 0 "[ . 1 . 2]" 1
800 2 18 LEU MD1 2 76 ILE H . . 5.500 5.146 4.822 5.456 . 0 0 "[ . 1 . 2]" 1
801 2 18 LEU MD1 2 76 ILE HA . . 4.500 4.322 3.931 4.504 0.004 11 0 "[ . 1 . 2]" 1
802 2 18 LEU MD1 2 76 ILE MG . . 4.500 3.841 3.260 4.408 . 0 0 "[ . 1 . 2]" 1
803 2 18 LEU MD2 2 75 ILE MG . . 4.500 3.677 3.508 3.836 . 0 0 "[ . 1 . 2]" 1
804 2 18 LEU MD2 2 89 VAL MG2 . . 4.500 2.609 2.396 2.845 . 0 0 "[ . 1 . 2]" 1
805 2 18 LEU MD2 2 93 LEU MD2 . . 3.500 2.546 2.385 2.845 . 0 0 "[ . 1 . 2]" 1
806 2 18 LEU HG 2 89 VAL MG2 . . 5.500 5.179 5.039 5.345 . 0 0 "[ . 1 . 2]" 1
807 2 19 VAL H 2 19 VAL HB . . 2.700 2.391 2.330 2.448 . 0 0 "[ . 1 . 2]" 1
808 2 19 VAL H 2 19 VAL MG1 . . 4.500 3.757 3.727 3.774 . 0 0 "[ . 1 . 2]" 1
809 2 19 VAL H 2 19 VAL MG2 . . 2.700 2.183 2.111 2.270 . 0 0 "[ . 1 . 2]" 1
810 2 19 VAL H 2 20 LEU H . . 3.500 2.881 2.817 2.949 . 0 0 "[ . 1 . 2]" 1
811 2 19 VAL H 2 21 LEU H . . 5.500 4.277 4.207 4.364 . 0 0 "[ . 1 . 2]" 1
812 2 19 VAL H 2 22 LEU H . . 5.500 4.851 4.796 4.905 . 0 0 "[ . 1 . 2]" 1
813 2 19 VAL H 2 93 LEU MD1 . . 5.500 5.398 5.141 5.538 0.038 13 0 "[ . 1 . 2]" 1
814 2 19 VAL HA 2 19 VAL MG1 . . 2.700 2.523 2.476 2.576 . 0 0 "[ . 1 . 2]" 1
815 2 19 VAL HA 2 19 VAL MG2 . . 2.700 2.319 2.276 2.358 . 0 0 "[ . 1 . 2]" 1
816 2 19 VAL HA 2 22 LEU HB2 . . 3.500 2.978 2.795 3.087 . 0 0 "[ . 1 . 2]" 1
817 2 19 VAL HA 2 22 LEU HB3 . . 4.500 4.430 4.293 4.518 0.018 12 0 "[ . 1 . 2]" 1
818 2 19 VAL HA 2 22 LEU MD1 . . 3.500 3.279 2.321 3.527 0.027 17 0 "[ . 1 . 2]" 1
819 2 19 VAL HA 2 22 LEU MD2 . . 5.500 5.213 4.894 5.366 . 0 0 "[ . 1 . 2]" 1
820 2 19 VAL HA 2 93 LEU MD1 . . 5.500 3.973 3.696 4.152 . 0 0 "[ . 1 . 2]" 1
821 2 19 VAL HA 2 93 LEU MD2 . . 5.500 5.301 5.105 5.480 . 0 0 "[ . 1 . 2]" 1
822 2 19 VAL MG2 2 20 LEU H . . 4.500 3.988 3.927 4.039 . 0 0 "[ . 1 . 2]" 1
823 2 19 VAL MG2 2 20 LEU HG . . 5.500 5.085 4.889 5.286 . 0 0 "[ . 1 . 2]" 1
824 2 19 VAL MG2 2 93 LEU MD1 . . 5.500 3.623 3.473 3.773 . 0 0 "[ . 1 . 2]" 1
825 2 19 VAL MG2 2 93 LEU MD2 . . 5.500 4.929 4.675 5.074 . 0 0 "[ . 1 . 2]" 1
826 2 20 LEU H 2 21 LEU H . . 4.500 2.692 2.657 2.735 . 0 0 "[ . 1 . 2]" 1
827 2 20 LEU H 2 22 LEU H . . 5.500 4.394 4.308 4.490 . 0 0 "[ . 1 . 2]" 1
828 2 20 LEU HA 2 20 LEU MD2 . . 2.700 2.143 2.113 2.210 . 0 0 "[ . 1 . 2]" 1
829 2 20 LEU HA 2 20 LEU HG . . 4.500 3.081 2.911 3.302 . 0 0 "[ . 1 . 2]" 1
830 2 20 LEU HA 2 23 HIS HB2 . . 3.500 3.562 3.529 3.612 0.112 13 0 "[ . 1 . 2]" 1
831 2 20 LEU HA 2 23 HIS HB3 . . 3.500 2.644 2.438 2.793 . 0 0 "[ . 1 . 2]" 1
832 2 20 LEU HA 2 42 LEU MD1 . . 5.500 5.380 4.300 5.583 0.083 14 0 "[ . 1 . 2]" 1
833 2 20 LEU QB 2 20 LEU HG . . 2.700 2.398 2.327 2.435 . 0 0 "[ . 1 . 2]" 1
834 2 20 LEU HB2 2 20 LEU MD1 . . 2.700 2.313 2.283 2.381 . 0 0 "[ . 1 . 2]" 1
835 2 20 LEU HB3 2 20 LEU MD1 . . 2.700 2.395 2.282 2.447 . 0 0 "[ . 1 . 2]" 1
836 2 20 LEU HB3 2 20 LEU MD2 . . 3.500 2.391 2.318 2.508 . 0 0 "[ . 1 . 2]" 1
837 2 20 LEU HB3 2 21 LEU H . . 3.500 3.533 3.516 3.551 0.051 7 0 "[ . 1 . 2]" 1
838 2 20 LEU HB3 2 21 LEU HB3 . . 5.500 5.553 5.507 5.579 0.079 19 0 "[ . 1 . 2]" 1
839 2 20 LEU HB3 2 48 MET H . . 5.500 4.242 4.058 4.442 . 0 0 "[ . 1 . 2]" 1
840 2 20 LEU HB3 2 48 MET HG2 . . 3.500 2.712 2.195 2.969 . 0 0 "[ . 1 . 2]" 1
841 2 20 LEU MD1 2 42 LEU MD1 . . 4.500 4.146 3.303 4.530 0.030 12 0 "[ . 1 . 2]" 1
842 2 20 LEU MD1 2 42 LEU MD2 . . 4.500 4.210 3.358 4.535 0.035 8 0 "[ . 1 . 2]" 1
843 2 20 LEU MD1 2 48 MET HB2 . . 5.500 4.275 3.926 4.534 . 0 0 "[ . 1 . 2]" 1
844 2 20 LEU MD1 2 48 MET HB3 . . 5.500 5.309 5.002 5.510 0.010 4 0 "[ . 1 . 2]" 1
845 2 20 LEU MD1 2 48 MET ME . . 5.500 3.800 3.364 4.103 . 0 0 "[ . 1 . 2]" 1
846 2 20 LEU MD1 2 48 MET HG2 . . 5.500 3.290 2.930 3.722 . 0 0 "[ . 1 . 2]" 1
847 2 20 LEU MD1 2 48 MET HG3 . . 5.500 3.758 3.409 4.746 . 0 0 "[ . 1 . 2]" 1
848 2 20 LEU MD2 2 23 HIS HB2 . . 5.500 4.437 4.315 4.564 . 0 0 "[ . 1 . 2]" 1
849 2 20 LEU MD2 2 23 HIS HB3 . . 5.500 3.771 3.526 3.960 . 0 0 "[ . 1 . 2]" 1
850 2 20 LEU MD2 2 23 HIS HD2 . . 5.500 4.667 3.633 5.146 . 0 0 "[ . 1 . 2]" 1
851 2 20 LEU MD2 2 42 LEU MD2 . . 3.500 2.216 1.997 2.657 . 0 0 "[ . 1 . 2]" 1
852 2 20 LEU MD2 2 48 MET HB2 . . 5.500 4.173 3.544 4.393 . 0 0 "[ . 1 . 2]" 1
853 2 20 LEU MD2 2 48 MET HB3 . . 5.500 5.416 4.887 5.561 0.061 5 0 "[ . 1 . 2]" 1
854 2 20 LEU MD2 2 48 MET ME . . 5.500 5.385 5.075 5.523 0.023 12 0 "[ . 1 . 2]" 1
855 2 20 LEU MD2 2 48 MET HG2 . . 5.500 4.383 4.166 4.533 . 0 0 "[ . 1 . 2]" 1
856 2 20 LEU MD2 2 48 MET HG3 . . 5.500 4.468 4.240 5.559 0.059 10 0 "[ . 1 . 2]" 1
857 2 21 LEU H 2 21 LEU HB3 . . 2.700 2.144 2.115 2.173 . 0 0 "[ . 1 . 2]" 1
858 2 21 LEU H 2 21 LEU MD1 . . 4.500 4.252 4.224 4.293 . 0 0 "[ . 1 . 2]" 1
859 2 21 LEU H 2 21 LEU HG . . 4.500 4.263 4.219 4.304 . 0 0 "[ . 1 . 2]" 1
860 2 21 LEU H 2 22 LEU H . . 3.500 2.801 2.731 2.851 . 0 0 "[ . 1 . 2]" 1
861 2 21 LEU H 2 23 HIS H . . 5.500 4.063 3.969 4.164 . 0 0 "[ . 1 . 2]" 1
862 2 21 LEU H 2 48 MET ME . . 5.500 5.084 4.613 5.418 . 0 0 "[ . 1 . 2]" 1
863 2 21 LEU HA 2 24 ALA MB . . 3.500 2.651 2.552 2.741 . 0 0 "[ . 1 . 2]" 1
864 2 21 LEU HA 2 48 MET ME . . 5.500 4.824 4.583 4.991 . 0 0 "[ . 1 . 2]" 1
865 2 21 LEU HB2 2 21 LEU MD2 . . 2.700 2.274 2.224 2.321 . 0 0 "[ . 1 . 2]" 1
866 2 21 LEU HB2 2 24 ALA MB . . 5.500 4.716 4.606 4.810 . 0 0 "[ . 1 . 2]" 1
867 2 21 LEU HB3 2 22 LEU H . . 4.500 2.522 2.463 2.591 . 0 0 "[ . 1 . 2]" 1
868 2 21 LEU HB3 2 22 LEU HG . . 4.500 4.274 3.761 4.503 0.003 7 0 "[ . 1 . 2]" 1
869 2 21 LEU HB3 2 76 ILE MG . . 5.500 4.751 4.525 4.927 . 0 0 "[ . 1 . 2]" 1
870 2 21 LEU MD1 2 24 ALA MB . . 3.500 3.513 3.468 3.538 0.038 12 0 "[ . 1 . 2]" 1
871 2 21 LEU MD1 2 48 MET HA . . 5.500 5.113 4.909 5.267 . 0 0 "[ . 1 . 2]" 1
872 2 21 LEU MD1 2 48 MET HB2 . . 5.500 5.369 5.215 5.534 0.034 8 0 "[ . 1 . 2]" 1
873 2 21 LEU MD1 2 48 MET HG2 . . 5.500 5.317 4.406 5.528 0.028 17 0 "[ . 1 . 2]" 1
874 2 21 LEU MD1 2 48 MET HG3 . . 5.500 4.383 3.804 4.536 . 0 0 "[ . 1 . 2]" 1
875 2 21 LEU MD1 2 52 LEU HG . . 4.500 3.944 3.827 4.083 . 0 0 "[ . 1 . 2]" 1
876 2 21 LEU MD1 2 72 SER HA . . 4.500 3.943 3.731 4.200 . 0 0 "[ . 1 . 2]" 1
877 2 21 LEU MD1 2 72 SER HB2 . . 4.500 2.323 2.155 2.497 . 0 0 "[ . 1 . 2]" 1
878 2 21 LEU MD1 2 72 SER HB3 . . 4.500 3.440 3.231 3.821 . 0 0 "[ . 1 . 2]" 1
879 2 21 LEU MD2 2 72 SER HA . . 3.500 2.479 2.284 2.785 . 0 0 "[ . 1 . 2]" 1
880 2 21 LEU MD2 2 72 SER HB2 . . 3.500 2.494 2.312 2.671 . 0 0 "[ . 1 . 2]" 1
881 2 21 LEU MD2 2 72 SER HB3 . . 3.500 3.237 2.892 3.528 0.028 15 0 "[ . 1 . 2]" 1
882 2 21 LEU HG 2 22 LEU HB2 . . 5.500 4.862 4.622 5.159 . 0 0 "[ . 1 . 2]" 1
883 2 21 LEU HG 2 22 LEU HG . . 3.500 3.323 3.099 3.488 . 0 0 "[ . 1 . 2]" 1
884 2 22 LEU H 2 22 LEU MD1 . . 5.500 3.078 2.928 3.217 . 0 0 "[ . 1 . 2]" 1
885 2 22 LEU H 2 22 LEU MD2 . . 4.500 4.167 3.884 4.282 . 0 0 "[ . 1 . 2]" 1
886 2 22 LEU H 2 23 HIS H . . 3.500 2.742 2.697 2.790 . 0 0 "[ . 1 . 2]" 1
887 2 22 LEU H 2 24 ALA H . . 5.500 4.351 4.269 4.426 . 0 0 "[ . 1 . 2]" 1
888 2 22 LEU H 2 52 LEU MD2 . . 5.500 5.499 5.436 5.580 0.080 14 0 "[ . 1 . 2]" 1
889 2 22 LEU HA 2 22 LEU MD1 . . 4.500 3.732 3.653 3.898 . 0 0 "[ . 1 . 2]" 1
890 2 22 LEU HA 2 22 LEU MD2 . . 4.500 2.586 2.379 2.729 . 0 0 "[ . 1 . 2]" 1
891 2 22 LEU HA 2 22 LEU HG . . 3.500 2.393 2.255 2.804 . 0 0 "[ . 1 . 2]" 1
892 2 22 LEU MD1 2 23 HIS H . . 5.500 4.574 4.184 4.711 . 0 0 "[ . 1 . 2]" 1
893 2 22 LEU MD1 2 93 LEU MD2 . . 5.500 2.081 2.008 2.203 . 0 0 "[ . 1 . 2]" 1
894 2 22 LEU MD2 2 23 HIS H . . 5.500 4.893 4.798 4.974 . 0 0 "[ . 1 . 2]" 1
895 2 22 LEU MD2 2 93 LEU MD1 . . 2.700 2.744 2.722 2.783 0.083 11 0 "[ . 1 . 2]" 1
896 2 22 LEU MD2 2 93 LEU MD2 . . 3.500 2.751 2.519 2.897 . 0 0 "[ . 1 . 2]" 1
897 2 22 LEU HG 2 93 LEU MD2 . . 4.500 4.233 4.089 4.337 . 0 0 "[ . 1 . 2]" 1
898 2 23 HIS H 2 23 HIS HB2 . . 2.700 2.610 2.549 2.686 . 0 0 "[ . 1 . 2]" 1
899 2 23 HIS H 2 23 HIS HB3 . . 2.700 2.568 2.395 2.658 . 0 0 "[ . 1 . 2]" 1
900 2 23 HIS H 2 24 ALA H . . 3.500 2.794 2.734 2.873 . 0 0 "[ . 1 . 2]" 1
901 2 23 HIS HB3 2 24 ALA H . . 3.500 2.552 2.413 2.622 . 0 0 "[ . 1 . 2]" 1
902 2 23 HIS HD2 2 24 ALA H . . 3.500 3.452 3.300 3.583 0.083 12 0 "[ . 1 . 2]" 1
903 2 23 HIS HD2 2 24 ALA HA . . 3.500 3.153 2.913 3.518 0.018 13 0 "[ . 1 . 2]" 1
904 2 23 HIS HD2 2 27 CYS QB . . 5.500 2.922 2.556 3.822 . 0 0 "[ . 1 . 2]" 1
905 2 23 HIS HE1 2 40 CYS HA . . 5.500 4.692 2.915 5.560 0.060 1 0 "[ . 1 . 2]" 1
906 2 24 ALA H 2 24 ALA MB . . 2.700 2.200 2.181 2.223 . 0 0 "[ . 1 . 2]" 1
907 2 24 ALA H 2 25 HIS H . . 3.500 2.880 2.806 2.959 . 0 0 "[ . 1 . 2]" 1
908 2 24 ALA HA 2 27 CYS HB2 . . 3.500 3.249 2.977 3.514 0.014 16 0 "[ . 1 . 2]" 1
909 2 24 ALA HA 2 27 CYS HB3 . . 3.500 2.335 2.122 2.528 . 0 0 "[ . 1 . 2]" 1
910 2 24 ALA HA 2 49 LYS HE2 . . 5.500 4.611 3.204 5.539 0.039 5 0 "[ . 1 . 2]" 1
911 2 24 ALA HA 2 49 LYS HE3 . . 4.500 3.861 2.536 4.435 . 0 0 "[ . 1 . 2]" 1
912 2 24 ALA HA 2 49 LYS HG2 . . 5.500 3.888 2.521 5.611 0.111 17 0 "[ . 1 . 2]" 1
913 2 24 ALA MB 2 25 HIS H . . 3.500 2.687 2.541 2.808 . 0 0 "[ . 1 . 2]" 1
914 2 24 ALA MB 2 49 LYS H . . 2.700 2.729 2.652 2.782 0.082 10 0 "[ . 1 . 2]" 1
915 2 24 ALA MB 2 49 LYS HE2 . . 5.500 4.683 3.854 5.124 . 0 0 "[ . 1 . 2]" 1
916 2 24 ALA MB 2 49 LYS HE3 . . 4.500 4.246 3.124 4.548 0.048 5 0 "[ . 1 . 2]" 1
917 2 24 ALA MB 2 50 ASN H . . 5.500 4.780 4.667 4.897 . 0 0 "[ . 1 . 2]" 1
918 2 24 ALA MB 2 52 LEU MD1 . . 3.500 2.300 2.187 2.425 . 0 0 "[ . 1 . 2]" 1
919 2 25 HIS H 2 26 LYS H . . 3.500 2.760 2.621 2.854 . 0 0 "[ . 1 . 2]" 1
920 2 25 HIS HA 2 25 HIS HB2 . . 2.700 2.480 2.427 2.574 . 0 0 "[ . 1 . 2]" 1
921 2 25 HIS HA 2 25 HIS HD2 . . 4.500 2.844 2.411 4.609 0.109 6 0 "[ . 1 . 2]" 1
922 2 25 HIS HA 2 26 LYS H . . 5.500 3.580 3.520 3.619 . 0 0 "[ . 1 . 2]" 1
923 2 25 HIS HA 2 52 LEU MD1 . . 4.500 2.556 2.333 2.869 . 0 0 "[ . 1 . 2]" 1
924 2 25 HIS HA 2 52 LEU MD2 . . 5.500 4.980 4.742 5.363 . 0 0 "[ . 1 . 2]" 1
925 2 25 HIS HD2 2 52 LEU MD1 . . 5.500 3.367 3.008 4.217 . 0 0 "[ . 1 . 2]" 1
926 2 25 HIS HD2 2 52 LEU MD2 . . 5.500 5.451 5.185 5.554 0.054 3 0 "[ . 1 . 2]" 1
927 2 26 LYS H 2 27 CYS H . . 3.500 2.583 2.396 2.742 . 0 0 "[ . 1 . 2]" 1
928 2 26 LYS HA 2 26 LYS HE2 . . 4.500 4.556 4.507 4.664 0.164 10 0 "[ . 1 . 2]" 1
929 2 26 LYS HA 2 26 LYS HG2 . . 4.500 3.116 2.751 3.719 . 0 0 "[ . 1 . 2]" 1
930 2 26 LYS HA 2 29 ARG HD2 . . 4.500 3.175 2.510 4.113 . 0 0 "[ . 1 . 2]" 1
931 2 26 LYS HE2 2 26 LYS HG2 . . 2.700 2.581 2.181 2.790 0.090 7 0 "[ . 1 . 2]" 1
932 2 26 LYS HG2 2 29 ARG HD2 . . 5.500 5.451 5.002 5.606 0.106 17 0 "[ . 1 . 2]" 1
933 2 27 CYS H 2 27 CYS HB2 . . 2.700 2.164 2.059 2.371 . 0 0 "[ . 1 . 2]" 1
934 2 27 CYS HA 2 30 ARG QB . . 3.500 2.896 2.035 3.539 0.039 19 0 "[ . 1 . 2]" 1
935 2 27 CYS HA 2 30 ARG HD2 . . 4.500 3.660 2.173 4.608 0.108 11 0 "[ . 1 . 2]" 1
936 2 29 ARG HA 2 29 ARG HD2 . . 5.500 4.678 4.346 4.942 . 0 0 "[ . 1 . 2]" 1
937 2 29 ARG HA 2 32 GLN H . . 4.500 3.719 3.343 4.142 . 0 0 "[ . 1 . 2]" 1
938 2 29 ARG HB2 2 29 ARG HD2 . . 3.500 2.657 2.139 3.595 0.095 18 0 "[ . 1 . 2]" 1
939 2 29 ARG HB3 2 29 ARG HD2 . . 3.500 3.058 2.462 3.697 0.197 18 0 "[ . 1 . 2]" 1
940 2 29 ARG HB3 2 29 ARG HG2 . . 2.700 2.445 2.285 2.655 . 0 0 "[ . 1 . 2]" 1
941 2 30 ARG HA 2 30 ARG HD2 . . 5.500 4.519 2.523 5.521 0.021 6 0 "[ . 1 . 2]" 1
942 2 30 ARG HA 2 33 ALA MB . . 2.700 2.622 2.177 2.752 0.052 4 0 "[ . 1 . 2]" 1
943 2 30 ARG HB2 2 37 VAL MG1 . . 3.500 3.357 2.510 3.597 0.097 18 0 "[ . 1 . 2]" 1
944 2 30 ARG HD2 2 37 VAL MG1 . . 4.500 3.883 2.637 4.566 0.066 14 0 "[ . 1 . 2]" 1
945 2 31 GLU H 2 32 GLN HB2 . . 5.500 4.879 4.650 5.118 . 0 0 "[ . 1 . 2]" 1
946 2 31 GLU HA 2 34 ASN H . . 4.500 3.947 3.522 4.359 . 0 0 "[ . 1 . 2]" 1
947 2 31 GLU HG2 2 32 GLN H . . 4.500 3.282 2.726 4.288 . 0 0 "[ . 1 . 2]" 1
948 2 31 GLU HG2 2 32 GLN HE21 . . 4.500 4.213 3.866 4.555 0.055 14 0 "[ . 1 . 2]" 1
949 2 31 GLU HG2 2 49 LYS HE2 . . 4.500 4.350 3.127 4.607 0.107 3 0 "[ . 1 . 2]" 1
950 2 31 GLU HG2 2 49 LYS HE3 . . 5.500 4.510 3.278 5.578 0.078 17 0 "[ . 1 . 2]" 1
951 2 31 GLU HG3 2 32 GLN H . . 3.500 2.644 2.067 3.613 0.113 15 0 "[ . 1 . 2]" 1
952 2 32 GLN H 2 32 GLN HB2 . . 2.700 2.332 2.155 2.471 . 0 0 "[ . 1 . 2]" 1
953 2 32 GLN H 2 32 GLN HB3 . . 3.500 3.511 2.732 3.585 0.085 12 0 "[ . 1 . 2]" 1
954 2 32 GLN H 2 33 ALA H . . 3.500 2.625 2.341 2.930 . 0 0 "[ . 1 . 2]" 1
955 2 32 GLN H 2 33 ALA MB . . 5.500 4.232 3.994 4.507 . 0 0 "[ . 1 . 2]" 1
956 2 32 GLN HA 2 33 ALA H . . 3.500 3.505 3.436 3.560 0.060 11 0 "[ . 1 . 2]" 1
957 2 32 GLN HB2 2 33 ALA H . . 5.500 3.130 2.609 3.771 . 0 0 "[ . 1 . 2]" 1
958 2 32 GLN HB2 2 34 ASN H . . 5.500 5.264 4.858 5.629 0.129 14 0 "[ . 1 . 2]" 1
959 2 32 GLN HB3 2 33 ALA H . . 4.500 3.838 2.845 4.185 . 0 0 "[ . 1 . 2]" 1
960 2 32 GLN HB3 2 34 ASN H . . 5.500 5.362 5.085 5.552 0.052 20 0 "[ . 1 . 2]" 1
961 2 33 ALA H 2 33 ALA MB . . 2.700 2.200 2.163 2.230 . 0 0 "[ . 1 . 2]" 1
962 2 33 ALA H 2 34 ASN H . . 3.500 2.697 2.533 2.860 . 0 0 "[ . 1 . 2]" 1
963 2 33 ALA HA 2 34 ASN H . . 3.500 3.460 3.282 3.513 0.013 17 0 "[ . 1 . 2]" 1
964 2 33 ALA HA 2 34 ASN HA . . 5.500 4.726 4.567 5.319 . 0 0 "[ . 1 . 2]" 1
965 2 33 ALA MB 2 34 ASN H . . 3.500 3.013 2.768 3.406 . 0 0 "[ . 1 . 2]" 1
966 2 33 ALA MB 2 34 ASN HA . . 4.500 4.312 4.068 4.446 . 0 0 "[ . 1 . 2]" 1
967 2 33 ALA MB 2 35 GLY H . . 4.500 4.373 3.149 4.567 0.067 14 0 "[ . 1 . 2]" 1
968 2 33 ALA MB 2 37 VAL MG1 . . 5.500 4.290 2.855 5.512 0.012 11 0 "[ . 1 . 2]" 1
969 2 33 ALA MB 2 37 VAL MG2 . . 4.500 3.319 2.035 4.489 . 0 0 "[ . 1 . 2]" 1
970 2 34 ASN HB2 2 35 GLY H . . 5.500 4.183 3.366 4.701 . 0 0 "[ . 1 . 2]" 1
971 2 34 ASN HB2 2 37 VAL MG1 . . 5.500 5.239 4.681 5.565 0.065 15 0 "[ . 1 . 2]" 1
972 2 35 GLY H 2 36 GLU H . . 5.500 2.632 1.791 2.893 . 0 0 "[ . 1 . 2]" 1
973 2 35 GLY H 2 37 VAL H . . 5.500 3.584 3.132 3.990 . 0 0 "[ . 1 . 2]" 1
974 2 35 GLY HA3 2 36 GLU H . . 5.500 3.077 2.674 3.430 . 0 0 "[ . 1 . 2]" 1
975 2 36 GLU H 2 36 GLU HG2 . . 5.500 2.630 2.465 3.401 . 0 0 "[ . 1 . 2]" 1
976 2 36 GLU HG2 2 37 VAL HA . . 5.500 5.009 3.703 5.511 0.011 2 0 "[ . 1 . 2]" 1
977 2 37 VAL H 2 37 VAL MG2 . . 4.500 2.253 1.877 3.088 . 0 0 "[ . 1 . 2]" 1
978 2 37 VAL H 2 38 ARG H . . 5.500 4.060 2.854 4.689 . 0 0 "[ . 1 . 2]" 1
979 2 37 VAL HA 2 38 ARG H . . 5.500 2.294 2.084 2.961 . 0 0 "[ . 1 . 2]" 1
980 2 37 VAL HB 2 38 ARG H . . 5.500 4.325 3.933 4.531 . 0 0 "[ . 1 . 2]" 1
981 2 37 VAL HB 2 38 ARG HA . . 5.500 5.050 4.773 5.456 . 0 0 "[ . 1 . 2]" 1
982 2 37 VAL MG1 2 39 ALA MB . . 4.500 3.409 2.205 4.532 0.032 2 0 "[ . 1 . 2]" 1
983 2 37 VAL MG2 2 38 ARG H . . 5.500 4.146 3.773 4.430 . 0 0 "[ . 1 . 2]" 1
984 2 38 ARG HA 2 38 ARG HD2 . . 5.500 4.268 2.335 4.822 . 0 0 "[ . 1 . 2]" 1
985 2 38 ARG HA 2 39 ALA H . . 5.500 2.954 2.248 3.448 . 0 0 "[ . 1 . 2]" 1
986 2 38 ARG HA 2 39 ALA MB . . 5.500 4.517 3.747 4.935 . 0 0 "[ . 1 . 2]" 1
987 2 38 ARG HB3 2 39 ALA H . . 5.500 3.961 2.082 4.491 . 0 0 "[ . 1 . 2]" 1
988 2 40 CYS HA 2 40 CYS QB . . 2.700 2.364 2.174 2.509 . 0 0 "[ . 1 . 2]" 1
989 2 40 CYS HA 2 41 SER H . . 2.700 2.326 2.040 2.818 0.118 13 0 "[ . 1 . 2]" 1
990 2 46 ARG HA 2 46 ARG HD3 . . 5.500 4.322 2.416 4.962 . 0 0 "[ . 1 . 2]" 1
991 2 46 ARG HA 2 49 LYS QB . . 3.500 2.358 2.204 2.563 . 0 0 "[ . 1 . 2]" 1
992 2 46 ARG HB2 2 47 THR HB . . 5.500 5.252 4.951 5.470 . 0 0 "[ . 1 . 2]" 1
993 2 47 THR H 2 47 THR HB . . 2.700 2.585 2.486 2.709 0.009 3 0 "[ . 1 . 2]" 1
994 2 47 THR H 2 47 THR MG . . 4.500 3.793 3.772 3.809 . 0 0 "[ . 1 . 2]" 1
995 2 47 THR HA 2 47 THR MG . . 2.700 2.407 2.336 2.493 . 0 0 "[ . 1 . 2]" 1
996 2 47 THR HA 2 48 MET H . . 4.500 3.631 3.612 3.644 . 0 0 "[ . 1 . 2]" 1
997 2 47 THR HA 2 48 MET ME . . 5.500 4.990 4.440 5.392 . 0 0 "[ . 1 . 2]" 1
998 2 47 THR HA 2 50 ASN H . . 4.500 3.783 3.696 3.904 . 0 0 "[ . 1 . 2]" 1
999 2 47 THR HA 2 50 ASN HB2 . . 3.500 2.997 2.935 3.076 . 0 0 "[ . 1 . 2]" 1
1000 2 47 THR HA 2 50 ASN HB3 . . 4.500 4.521 4.475 4.546 0.046 12 0 "[ . 1 . 2]" 1
1001 2 47 THR HB 2 48 MET H . . 2.700 2.448 2.350 2.496 . 0 0 "[ . 1 . 2]" 1
1002 2 47 THR HB 2 48 MET ME . . 4.500 3.961 3.496 4.214 . 0 0 "[ . 1 . 2]" 1
1003 2 47 THR HB 2 48 MET HG2 . . 5.500 4.074 3.698 5.529 0.029 3 0 "[ . 1 . 2]" 1
1004 2 47 THR MG 2 48 MET ME . . 2.700 2.707 2.420 2.753 0.053 18 0 "[ . 1 . 2]" 1
1005 2 47 THR MG 2 50 ASN HB2 . . 4.500 4.373 4.202 4.518 0.018 12 0 "[ . 1 . 2]" 1
1006 2 47 THR MG 2 68 HIS HD2 . . 3.500 3.398 3.189 3.513 0.013 10 0 "[ . 1 . 2]" 1
1007 2 48 MET H 2 48 MET ME . . 5.500 3.790 3.475 4.191 . 0 0 "[ . 1 . 2]" 1
1008 2 48 MET H 2 49 LYS H . . 5.500 2.788 2.744 2.845 . 0 0 "[ . 1 . 2]" 1
1009 2 48 MET HA 2 48 MET ME . . 4.500 2.292 2.049 3.017 . 0 0 "[ . 1 . 2]" 1
1010 2 48 MET HA 2 48 MET HG2 . . 4.500 2.901 2.709 3.563 . 0 0 "[ . 1 . 2]" 1
1011 2 48 MET HA 2 49 LYS H . . 4.500 3.617 3.585 3.637 . 0 0 "[ . 1 . 2]" 1
1012 2 48 MET HA 2 50 ASN H . . 5.500 4.331 4.182 4.401 . 0 0 "[ . 1 . 2]" 1
1013 2 48 MET HA 2 51 VAL H . . 3.500 3.228 3.059 3.308 . 0 0 "[ . 1 . 2]" 1
1014 2 48 MET HA 2 51 VAL HB . . 2.700 2.203 2.111 2.289 . 0 0 "[ . 1 . 2]" 1
1015 2 48 MET HA 2 51 VAL MG1 . . 3.500 3.518 3.440 3.543 0.043 5 0 "[ . 1 . 2]" 1
1016 2 48 MET HA 2 51 VAL MG2 . . 4.500 3.283 3.152 3.399 . 0 0 "[ . 1 . 2]" 1
1017 2 48 MET HA 2 52 LEU MD2 . . 4.500 3.442 3.201 3.670 . 0 0 "[ . 1 . 2]" 1
1018 2 48 MET HB2 2 48 MET ME . . 4.500 4.016 3.848 4.227 . 0 0 "[ . 1 . 2]" 1
1019 2 48 MET HB2 2 49 LYS H . . 3.500 2.974 2.854 3.134 . 0 0 "[ . 1 . 2]" 1
1020 2 48 MET ME 2 51 VAL H . . 5.500 4.375 3.916 4.938 . 0 0 "[ . 1 . 2]" 1
1021 2 48 MET ME 2 51 VAL HB . . 4.500 2.804 2.401 3.366 . 0 0 "[ . 1 . 2]" 1
1022 2 48 MET ME 2 51 VAL MG1 . . 3.500 2.395 2.267 2.603 . 0 0 "[ . 1 . 2]" 1
1023 2 48 MET ME 2 51 VAL MG2 . . 2.700 2.508 2.290 2.706 0.006 6 0 "[ . 1 . 2]" 1
1024 2 48 MET ME 2 68 HIS HA . . 5.500 3.588 3.346 4.027 . 0 0 "[ . 1 . 2]" 1
1025 2 48 MET ME 2 68 HIS HB2 . . 5.500 3.527 3.431 3.621 . 0 0 "[ . 1 . 2]" 1
1026 2 48 MET ME 2 68 HIS HB3 . . 5.500 2.192 2.118 2.382 . 0 0 "[ . 1 . 2]" 1
1027 2 48 MET ME 2 68 HIS HD2 . . 4.500 4.327 4.038 4.504 0.004 1 0 "[ . 1 . 2]" 1
1028 2 48 MET HG2 2 52 LEU MD2 . . 5.500 4.669 3.867 4.976 . 0 0 "[ . 1 . 2]" 1
1029 2 49 LYS H 2 49 LYS HB2 . . 2.700 2.432 2.226 2.606 . 0 0 "[ . 1 . 2]" 1
1030 2 49 LYS H 2 49 LYS HG2 . . 5.500 3.799 2.146 4.648 . 0 0 "[ . 1 . 2]" 1
1031 2 49 LYS H 2 50 ASN H . . 3.500 2.903 2.877 2.978 . 0 0 "[ . 1 . 2]" 1
1032 2 49 LYS H 2 51 VAL H . . 4.500 4.322 4.211 4.408 . 0 0 "[ . 1 . 2]" 1
1033 2 49 LYS HA 2 49 LYS HD2 . . 5.500 4.356 2.313 4.834 . 0 0 "[ . 1 . 2]" 1
1034 2 49 LYS HA 2 49 LYS HE2 . . 4.500 4.421 3.474 4.682 0.182 16 0 "[ . 1 . 2]" 1
1035 2 49 LYS HA 2 49 LYS HE3 . . 4.500 4.410 3.548 4.567 0.067 8 0 "[ . 1 . 2]" 1
1036 2 49 LYS HA 2 49 LYS HG2 . . 4.500 2.778 2.450 3.823 . 0 0 "[ . 1 . 2]" 1
1037 2 49 LYS HA 2 50 ASN H . . 3.500 3.550 3.542 3.562 0.062 14 0 "[ . 1 . 2]" 1
1038 2 49 LYS HA 2 52 LEU HG . . 4.500 2.494 2.329 2.713 . 0 0 "[ . 1 . 2]" 1
1039 2 49 LYS HB2 2 49 LYS HE2 . . 3.500 3.250 2.805 3.604 0.104 18 0 "[ . 1 . 2]" 1
1040 2 49 LYS HB2 2 50 ASN H . . 4.500 3.189 2.580 3.959 . 0 0 "[ . 1 . 2]" 1
1041 2 49 LYS HG2 2 50 ASN H . . 5.500 4.709 4.035 5.141 . 0 0 "[ . 1 . 2]" 1
1042 2 50 ASN H 2 50 ASN HB2 . . 2.700 2.241 2.227 2.264 . 0 0 "[ . 1 . 2]" 1
1043 2 50 ASN H 2 50 ASN HB3 . . 3.500 3.528 3.518 3.541 0.041 14 0 "[ . 1 . 2]" 1
1044 2 50 ASN H 2 50 ASN HD21 . . 3.500 2.434 2.391 2.517 . 0 0 "[ . 1 . 2]" 1
1045 2 50 ASN H 2 50 ASN HD22 . . 4.500 4.018 3.973 4.094 . 0 0 "[ . 1 . 2]" 1
1046 2 50 ASN H 2 51 VAL H . . 3.500 2.645 2.603 2.687 . 0 0 "[ . 1 . 2]" 1
1047 2 50 ASN H 2 51 VAL HB . . 5.500 4.606 4.555 4.656 . 0 0 "[ . 1 . 2]" 1
1048 2 50 ASN H 2 51 VAL MG2 . . 4.500 4.387 4.319 4.437 . 0 0 "[ . 1 . 2]" 1
1049 2 50 ASN HA 2 50 ASN HB3 . . 2.700 2.648 2.627 2.679 . 0 0 "[ . 1 . 2]" 1
1050 2 50 ASN HA 2 50 ASN HD21 . . 3.500 3.536 3.525 3.548 0.048 15 0 "[ . 1 . 2]" 1
1051 2 50 ASN HA 2 53 ASN HD21 . . 4.500 3.208 2.775 3.431 . 0 0 "[ . 1 . 2]" 1
1052 2 50 ASN HB2 2 51 VAL H . . 3.500 2.765 2.706 3.063 . 0 0 "[ . 1 . 2]" 1
1053 2 50 ASN HB2 2 51 VAL HA . . 5.500 4.810 4.767 4.929 . 0 0 "[ . 1 . 2]" 1
1054 2 50 ASN HB2 2 51 VAL MG2 . . 5.500 3.569 3.489 3.650 . 0 0 "[ . 1 . 2]" 1
1055 2 50 ASN HB3 2 51 VAL H . . 4.500 3.323 3.235 3.606 . 0 0 "[ . 1 . 2]" 1
1056 2 50 ASN HB3 2 51 VAL MG2 . . 5.500 3.766 3.677 3.832 . 0 0 "[ . 1 . 2]" 1
1057 2 51 VAL H 2 51 VAL HB . . 2.700 2.309 2.233 2.337 . 0 0 "[ . 1 . 2]" 1
1058 2 51 VAL H 2 51 VAL MG1 . . 4.500 3.744 3.704 3.760 . 0 0 "[ . 1 . 2]" 1
1059 2 51 VAL H 2 51 VAL MG2 . . 2.700 2.371 2.321 2.558 . 0 0 "[ . 1 . 2]" 1
1060 2 51 VAL H 2 52 LEU H . . 3.500 2.772 2.521 2.818 . 0 0 "[ . 1 . 2]" 1
1061 2 51 VAL H 2 53 ASN H . . 4.500 4.516 4.497 4.537 0.037 4 0 "[ . 1 . 2]" 1
1062 2 51 VAL HA 2 51 VAL MG1 . . 2.700 2.602 2.575 2.640 . 0 0 "[ . 1 . 2]" 1
1063 2 51 VAL HA 2 51 VAL MG2 . . 2.700 2.292 2.274 2.310 . 0 0 "[ . 1 . 2]" 1
1064 2 51 VAL HA 2 52 LEU H . . 4.500 3.587 3.579 3.599 . 0 0 "[ . 1 . 2]" 1
1065 2 51 VAL HA 2 54 HIS H . . 3.500 3.349 3.279 3.489 . 0 0 "[ . 1 . 2]" 1
1066 2 51 VAL HA 2 54 HIS HB2 . . 3.500 3.496 3.409 3.521 0.021 17 0 "[ . 1 . 2]" 1
1067 2 51 VAL HA 2 54 HIS HB3 . . 2.700 2.594 2.482 2.670 . 0 0 "[ . 1 . 2]" 1
1068 2 51 VAL HA 2 54 HIS HD2 . . 5.500 4.975 4.764 5.138 . 0 0 "[ . 1 . 2]" 1
1069 2 51 VAL HA 2 66 VAL MG1 . . 4.500 3.944 3.822 4.066 . 0 0 "[ . 1 . 2]" 1
1070 2 51 VAL HB 2 52 LEU H . . 3.500 2.972 2.928 3.013 . 0 0 "[ . 1 . 2]" 1
1071 2 51 VAL HB 2 52 LEU MD2 . . 3.500 3.290 3.149 3.478 . 0 0 "[ . 1 . 2]" 1
1072 2 51 VAL HB 2 53 ASN H . . 5.500 5.448 5.407 5.541 0.041 5 0 "[ . 1 . 2]" 1
1073 2 51 VAL MG1 2 52 LEU H . . 3.500 3.450 3.411 3.493 . 0 0 "[ . 1 . 2]" 1
1074 2 51 VAL MG1 2 55 MET HB3 . . 4.500 3.132 3.012 3.203 . 0 0 "[ . 1 . 2]" 1
1075 2 51 VAL MG1 2 66 VAL MG1 . . 3.500 3.287 3.190 3.441 . 0 0 "[ . 1 . 2]" 1
1076 2 51 VAL MG1 2 66 VAL MG2 . . 5.500 5.207 5.073 5.383 . 0 0 "[ . 1 . 2]" 1
1077 2 51 VAL MG1 2 68 HIS HA . . 4.500 3.920 3.842 4.056 . 0 0 "[ . 1 . 2]" 1
1078 2 51 VAL MG1 2 68 HIS HB2 . . 5.500 2.762 2.643 2.855 . 0 0 "[ . 1 . 2]" 1
1079 2 51 VAL MG1 2 68 HIS HB3 . . 5.500 2.502 2.378 2.638 . 0 0 "[ . 1 . 2]" 1
1080 2 51 VAL MG1 2 68 HIS HD2 . . 4.500 4.510 4.407 4.531 0.031 16 0 "[ . 1 . 2]" 1
1081 2 51 VAL MG1 2 69 CYS H . . 5.500 3.367 3.260 3.519 . 0 0 "[ . 1 . 2]" 1
1082 2 51 VAL MG1 2 69 CYS HA . . 4.500 2.284 2.186 2.379 . 0 0 "[ . 1 . 2]" 1
1083 2 51 VAL MG2 2 52 LEU H . . 4.500 4.174 4.156 4.193 . 0 0 "[ . 1 . 2]" 1
1084 2 51 VAL MG2 2 52 LEU HA . . 5.500 5.545 5.532 5.563 0.063 19 0 "[ . 1 . 2]" 1
1085 2 51 VAL MG2 2 54 HIS HD2 . . 5.500 5.465 5.312 5.523 0.023 11 0 "[ . 1 . 2]" 1
1086 2 51 VAL MG2 2 55 MET H . . 5.500 5.110 5.051 5.195 . 0 0 "[ . 1 . 2]" 1
1087 2 51 VAL MG2 2 66 VAL MG1 . . 3.500 2.749 2.625 2.864 . 0 0 "[ . 1 . 2]" 1
1088 2 51 VAL MG2 2 68 HIS HA . . 5.500 4.470 4.377 4.596 . 0 0 "[ . 1 . 2]" 1
1089 2 51 VAL MG2 2 68 HIS HB2 . . 5.500 2.272 2.185 2.343 . 0 0 "[ . 1 . 2]" 1
1090 2 51 VAL MG2 2 68 HIS HB3 . . 5.500 2.476 2.377 2.735 . 0 0 "[ . 1 . 2]" 1
1091 2 51 VAL MG2 2 68 HIS HD2 . . 4.500 2.844 2.742 2.909 . 0 0 "[ . 1 . 2]" 1
1092 2 51 VAL MG2 2 69 CYS H . . 4.500 3.958 3.848 4.103 . 0 0 "[ . 1 . 2]" 1
1093 2 51 VAL MG2 2 69 CYS HA . . 4.500 4.180 4.082 4.263 . 0 0 "[ . 1 . 2]" 1
1094 2 51 VAL MG2 2 69 CYS HB2 . . 4.500 4.001 3.885 4.104 . 0 0 "[ . 1 . 2]" 1
1095 2 52 LEU H 2 52 LEU MD1 . . 4.500 4.086 3.984 4.130 . 0 0 "[ . 1 . 2]" 1
1096 2 52 LEU H 2 52 LEU HG . . 3.500 2.739 2.584 2.825 . 0 0 "[ . 1 . 2]" 1
1097 2 52 LEU H 2 53 ASN H . . 3.500 2.771 2.721 2.879 . 0 0 "[ . 1 . 2]" 1
1098 2 52 LEU H 2 54 HIS H . . 5.500 4.040 3.966 4.102 . 0 0 "[ . 1 . 2]" 1
1099 2 52 LEU H 2 55 MET ME . . 5.500 5.294 5.017 5.529 0.029 19 0 "[ . 1 . 2]" 1
1100 2 52 LEU HA 2 52 LEU MD1 . . 3.500 3.532 3.495 3.583 0.083 14 0 "[ . 1 . 2]" 1
1101 2 52 LEU HA 2 52 LEU MD2 . . 2.700 2.236 2.194 2.290 . 0 0 "[ . 1 . 2]" 1
1102 2 52 LEU HA 2 53 ASN H . . 3.500 3.539 3.530 3.548 0.048 3 0 "[ . 1 . 2]" 1
1103 2 52 LEU HA 2 55 MET H . . 3.500 3.566 3.542 3.593 0.093 14 0 "[ . 1 . 2]" 1
1104 2 52 LEU HA 2 55 MET HB3 . . 4.500 4.421 4.332 4.514 0.014 5 0 "[ . 1 . 2]" 1
1105 2 52 LEU HB3 2 53 ASN H . . 3.500 3.519 3.493 3.539 0.039 11 0 "[ . 1 . 2]" 1
1106 2 52 LEU MD1 2 53 ASN HD21 . . 5.500 5.191 4.998 5.572 0.072 5 0 "[ . 1 . 2]" 1
1107 2 52 LEU MD1 2 72 SER HB2 . . 5.500 5.367 4.998 5.531 0.031 5 0 "[ . 1 . 2]" 1
1108 2 52 LEU MD2 2 55 MET HG2 . . 3.500 3.223 2.942 3.499 . 0 0 "[ . 1 . 2]" 1
1109 2 53 ASN H 2 53 ASN QB . . 2.700 2.318 2.289 2.527 . 0 0 "[ . 1 . 2]" 1
1110 2 53 ASN H 2 53 ASN HD21 . . 4.500 2.350 2.225 2.486 . 0 0 "[ . 1 . 2]" 1
1111 2 53 ASN H 2 53 ASN HD22 . . 4.500 3.741 3.420 3.825 . 0 0 "[ . 1 . 2]" 1
1112 2 53 ASN H 2 55 MET H . . 5.500 4.608 4.429 4.678 . 0 0 "[ . 1 . 2]" 1
1113 2 53 ASN H 2 56 THR H . . 5.500 5.051 4.978 5.145 . 0 0 "[ . 1 . 2]" 1
1114 2 53 ASN HA 2 53 ASN QB . . 2.700 2.435 2.147 2.461 . 0 0 "[ . 1 . 2]" 1
1115 2 53 ASN HA 2 54 HIS H . . 3.500 3.506 3.456 3.517 0.017 13 0 "[ . 1 . 2]" 1
1116 2 53 ASN HA 2 55 MET H . . 5.500 5.079 4.790 5.161 . 0 0 "[ . 1 . 2]" 1
1117 2 53 ASN HA 2 56 THR HB . . 5.500 4.984 4.641 5.240 . 0 0 "[ . 1 . 2]" 1
1118 2 53 ASN HA 2 56 THR MG . . 4.500 3.951 3.834 3.994 . 0 0 "[ . 1 . 2]" 1
1119 2 53 ASN QB 2 53 ASN HD22 . . 3.500 3.368 3.326 3.383 . 0 0 "[ . 1 . 2]" 1
1120 2 53 ASN QB 2 54 HIS H . . 3.500 3.015 2.942 3.628 0.128 5 0 "[ . 1 . 2]" 1
1121 2 53 ASN QB 2 55 MET H . . 5.500 5.290 5.223 5.570 0.070 5 0 "[ . 1 . 2]" 1
1122 2 53 ASN QB 2 56 THR MG . . 5.500 5.477 5.063 5.514 0.014 12 0 "[ . 1 . 2]" 1
1123 2 54 HIS H 2 54 HIS HB2 . . 2.700 2.669 2.625 2.705 0.005 8 0 "[ . 1 . 2]" 1
1124 2 54 HIS H 2 54 HIS HB3 . . 2.700 2.415 2.386 2.446 . 0 0 "[ . 1 . 2]" 1
1125 2 54 HIS H 2 54 HIS HD2 . . 5.500 4.735 4.711 4.766 . 0 0 "[ . 1 . 2]" 1
1126 2 54 HIS H 2 55 MET H . . 3.500 2.660 2.609 2.694 . 0 0 "[ . 1 . 2]" 1
1127 2 54 HIS H 2 56 THR H . . 5.500 4.006 3.932 4.090 . 0 0 "[ . 1 . 2]" 1
1128 2 54 HIS HA 2 54 HIS HB2 . . 2.700 2.455 2.445 2.467 . 0 0 "[ . 1 . 2]" 1
1129 2 54 HIS HB3 2 54 HIS HD2 . . 3.500 2.837 2.801 2.865 . 0 0 "[ . 1 . 2]" 1
1130 2 54 HIS HD2 2 55 MET H . . 3.500 3.086 2.987 3.199 . 0 0 "[ . 1 . 2]" 1
1131 2 54 HIS HD2 2 58 CYS H . . 4.500 4.240 4.168 4.335 . 0 0 "[ . 1 . 2]" 1
1132 2 54 HIS HD2 2 66 VAL MG1 . . 5.500 4.158 4.028 4.259 . 0 0 "[ . 1 . 2]" 1
1133 2 54 HIS HD2 2 66 VAL MG2 . . 5.500 4.520 4.358 4.647 . 0 0 "[ . 1 . 2]" 1
1134 2 54 HIS HD2 2 69 CYS H . . 5.500 5.276 5.192 5.362 . 0 0 "[ . 1 . 2]" 1
1135 2 54 HIS HD2 2 69 CYS HA . . 4.500 4.136 4.033 4.267 . 0 0 "[ . 1 . 2]" 1
1136 2 54 HIS HD2 2 69 CYS HB2 . . 4.500 2.479 2.372 2.624 . 0 0 "[ . 1 . 2]" 1
1137 2 54 HIS HD2 2 69 CYS HB3 . . 5.500 3.632 3.500 3.716 . 0 0 "[ . 1 . 2]" 1
1138 2 54 HIS HE1 2 66 VAL MG2 . . 5.500 2.764 2.639 2.927 . 0 0 "[ . 1 . 2]" 1
1139 2 55 MET H 2 55 MET HB3 . . 2.700 2.539 2.463 2.618 . 0 0 "[ . 1 . 2]" 1
1140 2 55 MET H 2 55 MET ME . . 5.500 4.806 4.739 4.858 . 0 0 "[ . 1 . 2]" 1
1141 2 55 MET H 2 55 MET HG2 . . 3.500 3.310 3.199 3.399 . 0 0 "[ . 1 . 2]" 1
1142 2 55 MET H 2 55 MET QG . . 3.500 2.208 2.073 2.379 . 0 0 "[ . 1 . 2]" 1
1143 2 55 MET H 2 56 THR H . . 3.500 2.892 2.803 2.947 . 0 0 "[ . 1 . 2]" 1
1144 2 55 MET H 2 57 HIS H . . 4.500 4.399 4.325 4.440 . 0 0 "[ . 1 . 2]" 1
1145 2 55 MET HA 2 55 MET HB2 . . 2.700 2.399 2.355 2.444 . 0 0 "[ . 1 . 2]" 1
1146 2 55 MET HA 2 55 MET HB3 . . 2.700 2.424 2.396 2.464 . 0 0 "[ . 1 . 2]" 1
1147 2 55 MET HA 2 56 THR H . . 5.500 3.519 3.477 3.553 . 0 0 "[ . 1 . 2]" 1
1148 2 55 MET HA 2 73 ARG HD3 . . 4.500 4.054 3.539 4.597 0.097 2 0 "[ . 1 . 2]" 1
1149 2 55 MET HB2 2 55 MET ME . . 3.500 3.106 2.620 3.520 0.020 10 0 "[ . 1 . 2]" 1
1150 2 55 MET HB2 2 56 THR H . . 4.500 4.146 4.047 4.238 . 0 0 "[ . 1 . 2]" 1
1151 2 55 MET HB2 2 73 ARG HB2 . . 4.500 2.357 2.220 2.527 . 0 0 "[ . 1 . 2]" 1
1152 2 55 MET HB3 2 55 MET ME . . 4.500 3.680 3.405 3.907 . 0 0 "[ . 1 . 2]" 1
1153 2 55 MET HB3 2 55 MET HG2 . . 2.700 2.272 2.241 2.298 . 0 0 "[ . 1 . 2]" 1
1154 2 55 MET HB3 2 56 THR H . . 4.500 4.280 4.218 4.380 . 0 0 "[ . 1 . 2]" 1
1155 2 55 MET HB3 2 70 ALA HA . . 5.500 5.484 5.091 5.583 0.083 13 0 "[ . 1 . 2]" 1
1156 2 55 MET HB3 2 73 ARG HB2 . . 3.500 3.539 3.452 3.595 0.095 15 0 "[ . 1 . 2]" 1
1157 2 55 MET ME 2 56 THR H . . 5.500 4.797 4.639 4.945 . 0 0 "[ . 1 . 2]" 1
1158 2 55 MET ME 2 56 THR HA . . 5.500 4.952 4.749 5.202 . 0 0 "[ . 1 . 2]" 1
1159 2 55 MET ME 2 56 THR MG . . 5.500 3.701 3.372 3.928 . 0 0 "[ . 1 . 2]" 1
1160 2 55 MET ME 2 69 CYS HA . . 4.500 4.490 4.332 4.550 0.050 17 0 "[ . 1 . 2]" 1
1161 2 55 MET ME 2 72 SER H . . 4.500 4.513 4.502 4.528 0.028 5 0 "[ . 1 . 2]" 1
1162 2 55 MET ME 2 73 ARG H . . 3.500 3.060 2.897 3.256 . 0 0 "[ . 1 . 2]" 1
1163 2 55 MET ME 2 73 ARG HA . . 2.700 2.412 2.200 2.709 0.009 16 0 "[ . 1 . 2]" 1
1164 2 55 MET ME 2 76 ILE MD . . 3.500 2.426 2.092 2.743 . 0 0 "[ . 1 . 2]" 1
1165 2 55 MET HG2 2 69 CYS HA . . 4.500 3.510 3.321 3.692 . 0 0 "[ . 1 . 2]" 1
1166 2 55 MET HG2 2 72 SER HB3 . . 4.500 4.375 4.237 4.518 0.018 15 0 "[ . 1 . 2]" 1
1167 2 56 THR H 2 56 THR MG . . 2.700 2.570 2.442 2.663 . 0 0 "[ . 1 . 2]" 1
1168 2 56 THR H 2 57 HIS H . . 2.700 2.690 2.632 2.725 0.025 18 0 "[ . 1 . 2]" 1
1169 2 56 THR H 2 58 CYS H . . 4.500 4.094 4.020 4.149 . 0 0 "[ . 1 . 2]" 1
1170 2 56 THR HA 2 56 THR HB . . 2.700 2.540 2.512 2.558 . 0 0 "[ . 1 . 2]" 1
1171 2 56 THR HA 2 56 THR MG . . 2.700 2.311 2.284 2.329 . 0 0 "[ . 1 . 2]" 1
1172 2 56 THR HA 2 57 HIS H . . 5.500 3.413 3.393 3.438 . 0 0 "[ . 1 . 2]" 1
1173 2 57 HIS H 2 57 HIS HB2 . . 2.700 2.607 2.566 2.643 . 0 0 "[ . 1 . 2]" 1
1174 2 57 HIS H 2 57 HIS HD2 . . 3.500 3.344 3.199 3.462 . 0 0 "[ . 1 . 2]" 1
1175 2 57 HIS H 2 58 CYS HB3 . . 4.500 4.075 3.755 4.240 . 0 0 "[ . 1 . 2]" 1
1176 2 57 HIS HA 2 57 HIS HB3 . . 2.700 2.515 2.501 2.535 . 0 0 "[ . 1 . 2]" 1
1177 2 57 HIS HA 2 57 HIS HD2 . . 4.500 4.181 4.050 4.311 . 0 0 "[ . 1 . 2]" 1
1178 2 57 HIS HA 2 58 CYS H . . 3.500 3.502 3.453 3.529 0.029 11 0 "[ . 1 . 2]" 1
1179 2 57 HIS HB2 2 58 CYS H . . 3.500 3.188 3.024 3.364 . 0 0 "[ . 1 . 2]" 1
1180 2 57 HIS HD2 2 58 CYS H . . 5.500 4.991 4.823 5.114 . 0 0 "[ . 1 . 2]" 1
1181 2 58 CYS H 2 58 CYS HB2 . . 2.700 2.418 2.360 2.636 . 0 0 "[ . 1 . 2]" 1
1182 2 58 CYS H 2 58 CYS HB3 . . 2.700 2.429 2.185 2.549 . 0 0 "[ . 1 . 2]" 1
1183 2 58 CYS HA 2 59 GLN H . . 2.700 2.227 2.178 2.267 . 0 0 "[ . 1 . 2]" 1
1184 2 58 CYS HB3 2 69 CYS HB3 . . 5.500 5.497 5.286 5.553 0.053 16 0 "[ . 1 . 2]" 1
1185 2 59 GLN H 2 59 GLN HB2 . . 3.500 3.062 2.923 3.302 . 0 0 "[ . 1 . 2]" 1
1186 2 59 GLN H 2 59 GLN HB3 . . 3.500 2.934 2.654 3.085 . 0 0 "[ . 1 . 2]" 1
1187 2 59 GLN H 2 60 ALA H . . 2.700 1.974 1.881 2.118 . 0 0 "[ . 1 . 2]" 1
1188 2 59 GLN H 2 60 ALA MB . . 5.500 3.515 3.335 3.676 . 0 0 "[ . 1 . 2]" 1
1189 2 59 GLN H 2 61 GLY H . . 5.500 4.156 3.822 4.311 . 0 0 "[ . 1 . 2]" 1
1190 2 59 GLN HA 2 59 GLN HB2 . . 2.700 2.581 2.459 2.629 . 0 0 "[ . 1 . 2]" 1
1191 2 59 GLN HA 2 60 ALA H . . 3.500 3.271 3.133 3.434 . 0 0 "[ . 1 . 2]" 1
1192 2 59 GLN HB2 2 60 ALA H . . 4.500 4.436 4.376 4.537 0.037 11 0 "[ . 1 . 2]" 1
1193 2 59 GLN HB3 2 60 ALA H . . 4.500 3.834 3.554 3.982 . 0 0 "[ . 1 . 2]" 1
1194 2 60 ALA H 2 60 ALA MB . . 2.700 2.212 2.193 2.319 . 0 0 "[ . 1 . 2]" 1
1195 2 60 ALA H 2 61 GLY H . . 2.700 2.576 2.342 2.707 0.007 11 0 "[ . 1 . 2]" 1
1196 2 60 ALA H 2 61 GLY HA2 . . 5.500 4.795 4.474 4.964 . 0 0 "[ . 1 . 2]" 1
1197 2 60 ALA H 2 64 CYS QB . . 3.500 3.547 3.513 3.571 0.071 16 0 "[ . 1 . 2]" 1
1198 2 60 ALA HA 2 61 GLY H . . 3.500 3.399 3.280 3.481 . 0 0 "[ . 1 . 2]" 1
1199 2 60 ALA HA 2 63 ALA H . . 5.500 4.369 4.231 4.558 . 0 0 "[ . 1 . 2]" 1
1200 2 60 ALA MB 2 61 GLY H . . 4.500 3.178 3.025 3.339 . 0 0 "[ . 1 . 2]" 1
1201 2 60 ALA MB 2 64 CYS H . . 5.500 3.174 2.999 3.323 . 0 0 "[ . 1 . 2]" 1
1202 2 60 ALA MB 2 64 CYS HA . . 2.700 2.629 2.364 2.753 0.053 6 0 "[ . 1 . 2]" 1
1203 2 60 ALA MB 2 64 CYS QB . . 3.500 2.118 2.049 2.235 . 0 0 "[ . 1 . 2]" 1
1204 2 60 ALA MB 2 65 GLN H . . 5.500 4.330 3.993 4.502 . 0 0 "[ . 1 . 2]" 1
1205 2 60 ALA MB 2 66 VAL H . . 5.500 5.340 5.077 5.475 . 0 0 "[ . 1 . 2]" 1
1206 2 61 GLY H 2 62 LYS H . . 5.500 4.199 3.674 4.626 . 0 0 "[ . 1 . 2]" 1
1207 2 61 GLY H 2 63 ALA H . . 5.500 4.631 4.588 4.694 . 0 0 "[ . 1 . 2]" 1
1208 2 61 GLY HA2 2 62 LYS H . . 5.500 3.447 3.216 3.633 . 0 0 "[ . 1 . 2]" 1
1209 2 61 GLY HA2 2 63 ALA H . . 4.500 4.460 4.233 4.560 0.060 10 0 "[ . 1 . 2]" 1
1210 2 61 GLY HA2 2 70 ALA HA . . 4.500 3.838 3.071 4.516 0.016 12 0 "[ . 1 . 2]" 1
1211 2 62 LYS H 2 63 ALA H . . 3.500 2.827 2.743 2.887 . 0 0 "[ . 1 . 2]" 1
1212 2 62 LYS H 2 63 ALA MB . . 4.500 4.508 4.468 4.531 0.031 8 0 "[ . 1 . 2]" 1
1213 2 63 ALA H 2 63 ALA MB . . 2.700 2.372 2.287 2.538 . 0 0 "[ . 1 . 2]" 1
1214 2 63 ALA H 2 64 CYS H . . 2.700 2.278 2.004 2.499 . 0 0 "[ . 1 . 2]" 1
1215 2 63 ALA H 2 64 CYS HA . . 5.500 4.729 4.439 4.998 . 0 0 "[ . 1 . 2]" 1
1216 2 63 ALA H 2 64 CYS HB2 . . 4.500 4.281 4.002 4.511 0.011 13 0 "[ . 1 . 2]" 1
1217 2 63 ALA HA 2 64 CYS H . . 3.500 3.365 3.280 3.444 . 0 0 "[ . 1 . 2]" 1
1218 2 64 CYS H 2 64 CYS HB2 . . 2.700 2.505 2.433 2.585 . 0 0 "[ . 1 . 2]" 1
1219 2 64 CYS H 2 65 GLN H . . 5.500 4.487 4.430 4.541 . 0 0 "[ . 1 . 2]" 1
1220 2 64 CYS H 2 66 VAL H . . 5.500 5.433 5.348 5.500 . 0 0 "[ . 1 . 2]" 1
1221 2 65 GLN H 2 66 VAL H . . 2.700 2.739 2.634 2.773 0.073 8 0 "[ . 1 . 2]" 1
1222 2 65 GLN H 2 66 VAL HB . . 5.500 5.145 4.991 5.225 . 0 0 "[ . 1 . 2]" 1
1223 2 65 GLN HA 2 65 GLN HB3 . . 2.700 2.427 2.389 2.465 . 0 0 "[ . 1 . 2]" 1
1224 2 65 GLN HA 2 65 GLN HG3 . . 4.500 3.934 3.776 4.267 . 0 0 "[ . 1 . 2]" 1
1225 2 65 GLN HA 2 66 VAL H . . 3.500 3.420 3.398 3.439 . 0 0 "[ . 1 . 2]" 1
1226 2 65 GLN HB2 2 65 GLN HG3 . . 2.700 2.436 2.262 2.497 . 0 0 "[ . 1 . 2]" 1
1227 2 65 GLN HG2 2 66 VAL H . . 3.500 3.155 2.839 3.332 . 0 0 "[ . 1 . 2]" 1
1228 2 66 VAL H 2 66 VAL HB . . 2.700 2.605 2.575 2.642 . 0 0 "[ . 1 . 2]" 1
1229 2 66 VAL H 2 66 VAL MG1 . . 4.500 3.847 3.835 3.858 . 0 0 "[ . 1 . 2]" 1
1230 2 66 VAL H 2 66 VAL MG2 . . 2.700 2.340 2.303 2.388 . 0 0 "[ . 1 . 2]" 1
1231 2 66 VAL H 2 67 ALA H . . 4.500 4.086 4.008 4.146 . 0 0 "[ . 1 . 2]" 1
1232 2 66 VAL HA 2 66 VAL MG1 . . 2.700 2.329 2.302 2.354 . 0 0 "[ . 1 . 2]" 1
1233 2 66 VAL HA 2 67 ALA H . . 2.700 2.241 2.225 2.259 . 0 0 "[ . 1 . 2]" 1
1234 2 66 VAL HA 2 67 ALA MB . . 5.500 4.002 3.960 4.033 . 0 0 "[ . 1 . 2]" 1
1235 2 66 VAL HA 2 69 CYS HB3 . . 4.500 4.548 4.521 4.573 0.073 3 0 "[ . 1 . 2]" 1
1236 2 66 VAL HB 2 67 ALA H . . 5.500 4.526 4.518 4.533 . 0 0 "[ . 1 . 2]" 1
1237 2 66 VAL HB 2 69 CYS HB2 . . 4.500 3.023 2.852 3.227 . 0 0 "[ . 1 . 2]" 1
1238 2 66 VAL HB 2 69 CYS HB3 . . 4.500 2.192 2.152 2.216 . 0 0 "[ . 1 . 2]" 1
1239 2 66 VAL MG1 2 67 ALA H . . 3.500 3.526 3.499 3.556 0.056 11 0 "[ . 1 . 2]" 1
1240 2 66 VAL MG1 2 67 ALA MB . . 4.500 4.290 4.237 4.350 . 0 0 "[ . 1 . 2]" 1
1241 2 66 VAL MG1 2 69 CYS HB2 . . 4.500 2.651 2.559 2.794 . 0 0 "[ . 1 . 2]" 1
1242 2 66 VAL MG1 2 69 CYS HB3 . . 4.500 2.608 2.515 2.697 . 0 0 "[ . 1 . 2]" 1
1243 2 66 VAL MG1 2 70 ALA H . . 5.500 4.153 3.967 4.445 . 0 0 "[ . 1 . 2]" 1
1244 2 66 VAL MG2 2 67 ALA H . . 4.500 4.318 4.296 4.334 . 0 0 "[ . 1 . 2]" 1
1245 2 67 ALA H 2 67 ALA MB . . 2.700 2.177 2.154 2.193 . 0 0 "[ . 1 . 2]" 1
1246 2 67 ALA H 2 69 CYS H . . 5.500 4.384 4.341 4.433 . 0 0 "[ . 1 . 2]" 1
1247 2 67 ALA MB 2 68 HIS HD2 . . 5.500 5.126 4.772 5.399 . 0 0 "[ . 1 . 2]" 1
1248 2 69 CYS H 2 69 CYS HB2 . . 3.500 2.838 2.777 2.937 . 0 0 "[ . 1 . 2]" 1
1249 2 69 CYS H 2 69 CYS HB3 . . 2.700 2.144 2.088 2.197 . 0 0 "[ . 1 . 2]" 1
1250 2 69 CYS H 2 70 ALA H . . 3.500 2.776 2.708 2.940 . 0 0 "[ . 1 . 2]" 1
1251 2 69 CYS H 2 71 SER H . . 4.500 3.874 3.793 4.039 . 0 0 "[ . 1 . 2]" 1
1252 2 69 CYS HA 2 72 SER HB2 . . 5.500 4.986 4.841 5.108 . 0 0 "[ . 1 . 2]" 1
1253 2 69 CYS HA 2 72 SER HB3 . . 4.500 4.524 4.500 4.552 0.052 1 0 "[ . 1 . 2]" 1
1254 2 70 ALA H 2 71 SER H . . 4.500 2.792 2.735 2.863 . 0 0 "[ . 1 . 2]" 1
1255 2 70 ALA H 2 72 SER H . . 5.500 4.779 4.609 4.887 . 0 0 "[ . 1 . 2]" 1
1256 2 70 ALA HA 2 73 ARG H . . 4.500 3.808 3.718 3.910 . 0 0 "[ . 1 . 2]" 1
1257 2 70 ALA HA 2 73 ARG HB2 . . 3.500 3.542 3.501 3.577 0.077 5 0 "[ . 1 . 2]" 1
1258 2 70 ALA HA 2 73 ARG HB3 . . 3.500 2.690 2.537 2.873 . 0 0 "[ . 1 . 2]" 1
1259 2 70 ALA HA 2 74 GLN H . . 4.500 4.528 4.388 4.593 0.093 16 0 "[ . 1 . 2]" 1
1260 2 71 SER H 2 72 SER H . . 3.500 2.898 2.784 2.975 . 0 0 "[ . 1 . 2]" 1
1261 2 71 SER H 2 73 ARG H . . 5.500 4.094 3.982 4.254 . 0 0 "[ . 1 . 2]" 1
1262 2 72 SER H 2 72 SER HB3 . . 2.700 2.571 2.530 2.650 . 0 0 "[ . 1 . 2]" 1
1263 2 72 SER H 2 73 ARG H . . 3.500 2.840 2.756 2.891 . 0 0 "[ . 1 . 2]" 1
1264 2 72 SER H 2 75 ILE MD . . 5.500 4.966 4.817 5.264 . 0 0 "[ . 1 . 2]" 1
1265 2 72 SER HA 2 74 GLN H . . 4.500 4.050 3.901 4.190 . 0 0 "[ . 1 . 2]" 1
1266 2 72 SER HA 2 75 ILE H . . 3.500 3.251 3.067 3.412 . 0 0 "[ . 1 . 2]" 1
1267 2 72 SER HA 2 75 ILE HB . . 4.500 3.104 2.612 3.515 . 0 0 "[ . 1 . 2]" 1
1268 2 72 SER HA 2 75 ILE MD . . 4.500 3.866 3.624 4.085 . 0 0 "[ . 1 . 2]" 1
1269 2 72 SER HB2 2 73 ARG H . . 4.500 3.773 3.696 3.858 . 0 0 "[ . 1 . 2]" 1
1270 2 72 SER HB3 2 73 ARG H . . 4.500 4.040 4.003 4.087 . 0 0 "[ . 1 . 2]" 1
1271 2 73 ARG H 2 73 ARG HB2 . . 2.700 2.363 2.303 2.475 . 0 0 "[ . 1 . 2]" 1
1272 2 73 ARG H 2 73 ARG HB3 . . 3.500 2.569 2.464 2.764 . 0 0 "[ . 1 . 2]" 1
1273 2 73 ARG H 2 74 GLN H . . 3.500 2.787 2.745 2.850 . 0 0 "[ . 1 . 2]" 1
1274 2 73 ARG H 2 75 ILE H . . 5.500 4.317 4.203 4.400 . 0 0 "[ . 1 . 2]" 1
1275 2 73 ARG HA 2 73 ARG HB2 . . 2.700 2.528 2.492 2.595 . 0 0 "[ . 1 . 2]" 1
1276 2 73 ARG HA 2 73 ARG HD2 . . 4.500 2.908 2.055 4.584 0.084 14 0 "[ . 1 . 2]" 1
1277 2 73 ARG HA 2 73 ARG HD3 . . 4.500 3.257 2.512 4.546 0.046 11 0 "[ . 1 . 2]" 1
1278 2 73 ARG HA 2 74 GLN H . . 3.500 3.510 3.467 3.532 0.032 5 0 "[ . 1 . 2]" 1
1279 2 73 ARG HB3 2 74 GLN H . . 3.500 2.981 2.809 3.254 . 0 0 "[ . 1 . 2]" 1
1280 2 74 GLN H 2 75 ILE H . . 3.500 2.471 2.311 2.575 . 0 0 "[ . 1 . 2]" 1
1281 2 74 GLN HA 2 75 ILE H . . 4.500 3.583 3.494 3.637 . 0 0 "[ . 1 . 2]" 1
1282 2 75 ILE H 2 75 ILE HB . . 3.500 2.711 2.649 2.773 . 0 0 "[ . 1 . 2]" 1
1283 2 75 ILE H 2 75 ILE MD . . 2.700 2.714 2.552 2.786 0.086 9 0 "[ . 1 . 2]" 1
1284 2 75 ILE H 2 75 ILE HG12 . . 2.700 2.223 2.089 2.398 . 0 0 "[ . 1 . 2]" 1
1285 2 75 ILE H 2 76 ILE H . . 3.500 3.059 2.948 3.169 . 0 0 "[ . 1 . 2]" 1
1286 2 75 ILE H 2 77 SER H . . 5.500 4.276 4.072 4.505 . 0 0 "[ . 1 . 2]" 1
1287 2 75 ILE HA 2 75 ILE HG12 . . 4.500 3.415 3.350 3.471 . 0 0 "[ . 1 . 2]" 1
1288 2 75 ILE HA 2 76 ILE H . . 5.500 3.644 3.612 3.690 . 0 0 "[ . 1 . 2]" 1
1289 2 75 ILE HB 2 77 SER H . . 5.500 4.988 4.864 5.128 . 0 0 "[ . 1 . 2]" 1
1290 2 75 ILE HG12 2 76 ILE H . . 5.500 4.269 4.150 4.422 . 0 0 "[ . 1 . 2]" 1
1291 2 76 ILE H 2 76 ILE MD . . 2.700 2.081 1.838 2.205 . 0 0 "[ . 1 . 2]" 1
1292 2 76 ILE H 2 76 ILE HG12 . . 4.500 3.782 3.495 3.935 . 0 0 "[ . 1 . 2]" 1
1293 2 76 ILE H 2 77 SER H . . 3.500 2.752 2.692 2.809 . 0 0 "[ . 1 . 2]" 1
1294 2 76 ILE H 2 78 HIS H . . 4.500 4.371 4.300 4.468 . 0 0 "[ . 1 . 2]" 1
1295 2 76 ILE HA 2 77 SER H . . 4.500 3.541 3.519 3.567 . 0 0 "[ . 1 . 2]" 1
1296 2 76 ILE HA 2 79 TRP H . . 4.500 3.193 3.005 3.293 . 0 0 "[ . 1 . 2]" 1
1297 2 76 ILE HB 2 76 ILE MD . . 3.500 3.275 3.252 3.288 . 0 0 "[ . 1 . 2]" 1
1298 2 76 ILE HB 2 77 SER H . . 4.500 4.145 4.072 4.215 . 0 0 "[ . 1 . 2]" 1
1299 2 76 ILE HB 2 80 LYS HD2 . . 3.500 3.258 3.087 3.410 . 0 0 "[ . 1 . 2]" 1
1300 2 76 ILE HB 2 80 LYS HG3 . . 3.500 3.121 2.852 3.429 . 0 0 "[ . 1 . 2]" 1
1301 2 76 ILE MD 2 77 SER H . . 5.500 2.196 2.037 2.683 . 0 0 "[ . 1 . 2]" 1
1302 2 76 ILE MD 2 80 LYS HE2 . . 4.500 4.470 4.329 4.516 0.016 16 0 "[ . 1 . 2]" 1
1303 2 76 ILE HG12 2 80 LYS HD2 . . 2.700 2.741 2.724 2.772 0.072 2 0 "[ . 1 . 2]" 1
1304 2 76 ILE HG12 2 80 LYS HE2 . . 3.500 3.217 3.080 3.348 . 0 0 "[ . 1 . 2]" 1
1305 2 76 ILE HG12 2 80 LYS HG3 . . 4.500 4.236 4.147 4.351 . 0 0 "[ . 1 . 2]" 1
1306 2 76 ILE MG 2 77 SER H . . 4.500 4.083 4.003 4.250 . 0 0 "[ . 1 . 2]" 1
1307 2 76 ILE MG 2 79 TRP HH2 . . 5.500 5.423 5.192 5.516 0.016 7 0 "[ . 1 . 2]" 1
1308 2 76 ILE MG 2 80 LYS HE2 . . 3.500 3.476 3.315 3.538 0.038 13 0 "[ . 1 . 2]" 1
1309 2 77 SER H 2 77 SER HB2 . . 2.700 2.560 2.465 2.690 . 0 0 "[ . 1 . 2]" 1
1310 2 77 SER H 2 78 HIS H . . 3.500 2.732 2.702 2.761 . 0 0 "[ . 1 . 2]" 1
1311 2 77 SER H 2 79 TRP H . . 5.500 4.376 4.328 4.448 . 0 0 "[ . 1 . 2]" 1
1312 2 77 SER HA 2 80 LYS HE2 . . 5.500 5.404 5.115 5.526 0.026 7 0 "[ . 1 . 2]" 1
1313 2 77 SER HA 2 81 ASN H . . 4.500 4.343 4.096 4.528 0.028 1 0 "[ . 1 . 2]" 1
1314 2 77 SER HA 2 81 ASN HD21 . . 5.500 5.158 4.276 5.557 0.057 15 0 "[ . 1 . 2]" 1
1315 2 77 SER HB2 2 79 TRP H . . 5.500 5.342 5.236 5.433 . 0 0 "[ . 1 . 2]" 1
1316 2 77 SER HB3 2 81 ASN HD21 . . 5.500 4.563 4.215 4.889 . 0 0 "[ . 1 . 2]" 1
1317 2 78 HIS H 2 78 HIS HB2 . . 3.500 2.844 2.685 2.930 . 0 0 "[ . 1 . 2]" 1
1318 2 78 HIS H 2 78 HIS HB3 . . 2.700 2.345 2.276 2.481 . 0 0 "[ . 1 . 2]" 1
1319 2 78 HIS H 2 79 TRP H . . 3.500 2.715 2.619 2.797 . 0 0 "[ . 1 . 2]" 1
1320 2 78 HIS HD2 2 89 VAL MG2 . . 3.500 3.317 3.077 3.520 0.020 14 0 "[ . 1 . 2]" 1
1321 2 79 TRP H 2 80 LYS H . . 4.500 2.998 2.915 3.069 . 0 0 "[ . 1 . 2]" 1
1322 2 79 TRP H 2 81 ASN H . . 5.500 4.453 4.328 4.723 . 0 0 "[ . 1 . 2]" 1
1323 2 79 TRP HD1 2 90 CYS HA . . 5.500 3.405 2.815 4.328 . 0 0 "[ . 1 . 2]" 1
1324 2 80 LYS H 2 81 ASN H . . 3.500 2.743 2.590 3.028 . 0 0 "[ . 1 . 2]" 1
1325 2 80 LYS HB2 2 81 ASN H . . 4.500 2.821 2.712 2.919 . 0 0 "[ . 1 . 2]" 1
1326 2 80 LYS HD2 2 80 LYS HG3 . . 2.700 2.463 2.445 2.493 . 0 0 "[ . 1 . 2]" 1
1327 2 80 LYS HE2 2 80 LYS HG3 . . 3.500 2.518 2.479 2.544 . 0 0 "[ . 1 . 2]" 1
1328 2 81 ASN H 2 81 ASN HB2 . . 3.500 2.669 2.304 3.602 0.102 5 0 "[ . 1 . 2]" 1
1329 2 81 ASN H 2 81 ASN HB3 . . 3.500 2.878 2.363 3.557 0.057 20 0 "[ . 1 . 2]" 1
1330 2 81 ASN H 2 82 CYS H . . 3.500 2.574 2.500 2.680 . 0 0 "[ . 1 . 2]" 1
1331 2 81 ASN HA 2 82 CYS H . . 4.500 3.553 3.422 3.613 . 0 0 "[ . 1 . 2]" 1
1332 2 81 ASN HA 2 83 THR MG . . 5.500 4.707 3.635 5.583 0.083 17 0 "[ . 1 . 2]" 1
1333 2 81 ASN HB2 2 81 ASN HD21 . . 3.500 2.736 2.381 3.497 . 0 0 "[ . 1 . 2]" 1
1334 2 81 ASN HB3 2 81 ASN HD21 . . 2.700 2.546 2.288 2.710 0.010 20 0 "[ . 1 . 2]" 1
1335 2 81 ASN HB3 2 82 CYS H . . 4.500 3.444 2.512 4.148 . 0 0 "[ . 1 . 2]" 1
1336 2 82 CYS H 2 82 CYS HB2 . . 2.700 2.250 2.158 2.658 . 0 0 "[ . 1 . 2]" 1
1337 2 82 CYS H 2 82 CYS HB3 . . 2.700 2.605 2.362 2.722 0.022 2 0 "[ . 1 . 2]" 1
1338 2 82 CYS HA 2 83 THR H . . 3.500 2.513 2.125 3.554 0.054 19 0 "[ . 1 . 2]" 1
1339 2 82 CYS HB3 2 90 CYS H . . 5.500 5.285 4.995 5.439 . 0 0 "[ . 1 . 2]" 1
1340 2 83 THR HA 2 83 THR MG . . 2.700 2.373 2.279 2.441 . 0 0 "[ . 1 . 2]" 1
1341 2 86 ASP H 2 86 ASP HB3 . . 3.500 2.883 2.538 3.479 . 0 0 "[ . 1 . 2]" 1
1342 2 86 ASP HA 2 86 ASP HB2 . . 2.700 2.391 2.347 2.475 . 0 0 "[ . 1 . 2]" 1
1343 2 86 ASP HA 2 86 ASP HB3 . . 2.700 2.474 2.400 2.547 . 0 0 "[ . 1 . 2]" 1
1344 2 86 ASP HA 2 87 CYS H . . 3.500 2.807 2.104 3.354 . 0 0 "[ . 1 . 2]" 1
1345 2 86 ASP HA 2 91 LEU MD1 . . 4.500 2.744 2.178 4.110 . 0 0 "[ . 1 . 2]" 1
1346 2 86 ASP HA 2 91 LEU MD2 . . 4.500 2.948 2.180 4.432 . 0 0 "[ . 1 . 2]" 1
1347 2 86 ASP HB2 2 91 LEU MD1 . . 5.500 3.775 2.557 5.062 . 0 0 "[ . 1 . 2]" 1
1348 2 86 ASP HB2 2 91 LEU MD2 . . 5.500 3.030 2.280 3.978 . 0 0 "[ . 1 . 2]" 1
1349 2 86 ASP HB3 2 91 LEU MD1 . . 5.500 3.814 2.927 4.986 . 0 0 "[ . 1 . 2]" 1
1350 2 86 ASP HB3 2 91 LEU MD2 . . 5.500 3.978 3.252 4.740 . 0 0 "[ . 1 . 2]" 1
1351 2 87 CYS H 2 91 LEU HB2 . . 3.500 2.860 1.953 3.286 . 0 0 "[ . 1 . 2]" 1
1352 2 87 CYS H 2 91 LEU HB3 . . 4.500 4.124 3.080 4.553 0.053 16 0 "[ . 1 . 2]" 1
1353 2 87 CYS H 2 91 LEU MD1 . . 4.500 4.264 3.697 4.531 0.031 8 0 "[ . 1 . 2]" 1
1354 2 87 CYS H 2 91 LEU MD2 . . 4.500 4.155 3.256 4.539 0.039 7 0 "[ . 1 . 2]" 1
1355 2 88 PRO HA 2 89 VAL H . . 5.500 3.518 3.498 3.533 . 0 0 "[ . 1 . 2]" 1
1356 2 88 PRO HA 2 91 LEU MD2 . . 4.500 4.110 3.760 4.409 . 0 0 "[ . 1 . 2]" 1
1357 2 88 PRO HA 2 92 PRO HD2 . . 4.500 4.094 3.917 4.294 . 0 0 "[ . 1 . 2]" 1
1358 2 88 PRO HB2 2 88 PRO HD2 . . 2.700 2.741 2.731 2.751 0.051 16 0 "[ . 1 . 2]" 1
1359 2 88 PRO HB2 2 89 VAL H . . 5.500 3.067 2.988 3.162 . 0 0 "[ . 1 . 2]" 1
1360 2 88 PRO HB2 2 89 VAL HB . . 4.500 4.473 4.389 4.515 0.015 20 0 "[ . 1 . 2]" 1
1361 2 88 PRO HB2 2 89 VAL MG1 . . 5.500 5.491 5.406 5.521 0.021 12 0 "[ . 1 . 2]" 1
1362 2 88 PRO HB2 2 89 VAL MG2 . . 4.500 3.141 2.943 3.258 . 0 0 "[ . 1 . 2]" 1
1363 2 89 VAL H 2 89 VAL HB . . 2.700 2.310 2.252 2.388 . 0 0 "[ . 1 . 2]" 1
1364 2 89 VAL H 2 89 VAL MG1 . . 4.500 3.697 3.660 3.734 . 0 0 "[ . 1 . 2]" 1
1365 2 89 VAL H 2 89 VAL MG2 . . 3.500 2.940 2.833 3.052 . 0 0 "[ . 1 . 2]" 1
1366 2 89 VAL H 2 90 CYS H . . 2.700 2.358 2.239 2.426 . 0 0 "[ . 1 . 2]" 1
1367 2 89 VAL H 2 91 LEU HB2 . . 5.500 5.533 5.519 5.549 0.049 17 0 "[ . 1 . 2]" 1
1368 2 89 VAL HA 2 89 VAL MG1 . . 2.700 2.663 2.618 2.701 0.001 12 0 "[ . 1 . 2]" 1
1369 2 89 VAL HA 2 89 VAL MG2 . . 2.700 2.244 2.229 2.264 . 0 0 "[ . 1 . 2]" 1
1370 2 89 VAL HA 2 90 CYS H . . 4.500 3.607 3.585 3.636 . 0 0 "[ . 1 . 2]" 1
1371 2 89 VAL HA 2 91 LEU H . . 5.500 4.779 4.710 4.850 . 0 0 "[ . 1 . 2]" 1
1372 2 89 VAL HA 2 93 LEU MD2 . . 5.500 5.415 5.256 5.510 0.010 14 0 "[ . 1 . 2]" 1
1373 2 89 VAL HB 2 90 CYS H . . 2.700 2.640 2.535 2.743 0.043 14 0 "[ . 1 . 2]" 1
1374 2 89 VAL MG1 2 90 CYS H . . 5.500 2.880 2.739 3.013 . 0 0 "[ . 1 . 2]" 1
1375 2 89 VAL MG1 2 93 LEU HB3 . . 4.500 4.484 4.347 4.520 0.020 11 0 "[ . 1 . 2]" 1
1376 2 89 VAL MG1 2 93 LEU MD2 . . 3.500 3.524 3.485 3.558 0.058 17 0 "[ . 1 . 2]" 1
1377 2 89 VAL MG2 2 90 CYS H . . 5.500 4.051 3.982 4.119 . 0 0 "[ . 1 . 2]" 1
1378 2 89 VAL MG2 2 90 CYS HA . . 5.500 5.373 5.307 5.430 . 0 0 "[ . 1 . 2]" 1
1379 2 90 CYS H 2 90 CYS HB2 . . 2.700 2.632 2.547 2.697 . 0 0 "[ . 1 . 2]" 1
1380 2 90 CYS H 2 90 CYS HB3 . . 3.500 3.514 3.481 3.549 0.049 5 0 "[ . 1 . 2]" 1
1381 2 90 CYS H 2 91 LEU H . . 3.500 2.767 2.723 2.816 . 0 0 "[ . 1 . 2]" 1
1382 2 90 CYS HA 2 93 LEU MD2 . . 5.500 3.434 3.226 3.769 . 0 0 "[ . 1 . 2]" 1
1383 2 91 LEU H 2 91 LEU HB2 . . 2.700 2.485 2.462 2.543 . 0 0 "[ . 1 . 2]" 1
1384 2 91 LEU H 2 91 LEU HB3 . . 2.700 2.472 2.414 2.521 . 0 0 "[ . 1 . 2]" 1
1385 2 91 LEU H 2 91 LEU MD1 . . 5.500 4.153 4.113 4.204 . 0 0 "[ . 1 . 2]" 1
1386 2 91 LEU H 2 91 LEU MD2 . . 5.500 4.229 4.174 4.287 . 0 0 "[ . 1 . 2]" 1
1387 2 91 LEU HA 2 91 LEU HB2 . . 2.700 2.437 2.411 2.456 . 0 0 "[ . 1 . 2]" 1
1388 2 91 LEU HA 2 91 LEU HG . . 3.500 3.198 3.154 3.243 . 0 0 "[ . 1 . 2]" 1
1389 2 91 LEU HA 2 92 PRO HD2 . . 5.500 3.972 3.960 3.992 . 0 0 "[ . 1 . 2]" 1
1390 2 91 LEU HA 2 92 PRO QD . . 5.500 3.680 3.669 3.689 . 0 0 "[ . 1 . 2]" 1
1391 2 91 LEU HB2 2 92 PRO HD2 . . 4.500 3.988 3.968 4.025 . 0 0 "[ . 1 . 2]" 1
1392 2 91 LEU HB2 2 92 PRO QD . . 3.500 3.518 3.512 3.527 0.027 19 0 "[ . 1 . 2]" 1
1393 2 91 LEU HB3 2 92 PRO HD2 . . 2.700 2.710 2.655 2.731 0.031 18 0 "[ . 1 . 2]" 1
1394 2 91 LEU HB3 2 92 PRO QD . . 3.500 2.114 2.095 2.136 . 0 0 "[ . 1 . 2]" 1
1395 2 91 LEU HB3 2 92 PRO HG2 . . 5.500 4.832 4.796 4.849 . 0 0 "[ . 1 . 2]" 1
1396 2 91 LEU QD 2 95 ASN HD21 . . 3.500 2.838 2.331 3.389 . 0 0 "[ . 1 . 2]" 1
1397 2 91 LEU QD 2 95 ASN HD22 . . 3.500 2.177 2.041 2.369 . 0 0 "[ . 1 . 2]" 1
1398 2 91 LEU MD1 2 92 PRO HA . . 4.500 4.518 4.436 4.562 0.062 1 0 "[ . 1 . 2]" 1
1399 2 91 LEU MD1 2 92 PRO HD2 . . 5.500 4.939 4.910 4.965 . 0 0 "[ . 1 . 2]" 1
1400 2 91 LEU MD1 2 92 PRO QD . . 4.500 4.206 4.158 4.235 . 0 0 "[ . 1 . 2]" 1
1401 2 91 LEU MD1 2 94 LYS H . . 5.500 4.918 4.772 5.177 . 0 0 "[ . 1 . 2]" 1
1402 2 91 LEU MD1 2 95 ASN H . . 5.500 4.068 3.859 4.347 . 0 0 "[ . 1 . 2]" 1
1403 2 91 LEU MD1 2 95 ASN HB2 . . 5.500 4.254 3.980 4.377 . 0 0 "[ . 1 . 2]" 1
1404 2 91 LEU MD1 2 95 ASN HB3 . . 5.500 4.995 4.619 5.272 . 0 0 "[ . 1 . 2]" 1
1405 2 91 LEU MD2 2 95 ASN HB2 . . 5.500 5.524 5.473 5.552 0.052 7 0 "[ . 1 . 2]" 1
1406 2 91 LEU HG 2 95 ASN HD21 . . 3.500 3.100 2.829 3.527 0.027 10 0 "[ . 1 . 2]" 1
1407 2 91 LEU HG 2 95 ASN HD22 . . 3.500 3.221 2.773 3.521 0.021 4 0 "[ . 1 . 2]" 1
1408 2 92 PRO HA 2 92 PRO HB2 . . 2.700 2.748 2.739 2.757 0.057 1 0 "[ . 1 . 2]" 1
1409 2 92 PRO HA 2 92 PRO HB3 . . 2.700 2.282 2.271 2.296 . 0 0 "[ . 1 . 2]" 1
1410 2 92 PRO HA 2 92 PRO HD2 . . 4.500 4.075 4.069 4.079 . 0 0 "[ . 1 . 2]" 1
1411 2 92 PRO HA 2 95 ASN H . . 5.500 3.489 3.363 3.727 . 0 0 "[ . 1 . 2]" 1
1412 2 92 PRO HA 2 95 ASN HB2 . . 3.500 2.541 2.414 2.769 . 0 0 "[ . 1 . 2]" 1
1413 2 92 PRO HA 2 95 ASN HB3 . . 4.500 4.100 3.933 4.336 . 0 0 "[ . 1 . 2]" 1
1414 2 92 PRO HA 2 95 ASN HD21 . . 5.500 3.489 3.203 4.055 . 0 0 "[ . 1 . 2]" 1
1415 2 92 PRO HA 2 95 ASN HD22 . . 5.500 4.815 4.501 5.104 . 0 0 "[ . 1 . 2]" 1
1416 2 93 LEU H 2 93 LEU HB2 . . 2.700 2.386 2.344 2.431 . 0 0 "[ . 1 . 2]" 1
1417 2 93 LEU H 2 93 LEU HB3 . . 2.700 2.499 2.458 2.553 . 0 0 "[ . 1 . 2]" 1
1418 2 93 LEU H 2 93 LEU MD2 . . 5.500 4.146 4.112 4.180 . 0 0 "[ . 1 . 2]" 1
1419 2 93 LEU HA 2 93 LEU MD1 . . 3.500 2.168 2.127 2.202 . 0 0 "[ . 1 . 2]" 1
1420 2 93 LEU HA 2 93 LEU MD2 . . 4.500 3.853 3.829 3.874 . 0 0 "[ . 1 . 2]" 1
1421 2 93 LEU HA 2 93 LEU HG . . 3.500 3.148 3.099 3.189 . 0 0 "[ . 1 . 2]" 1
1422 2 93 LEU HA 2 96 ALA MB . . 5.500 2.779 2.549 3.034 . 0 0 "[ . 1 . 2]" 1
1423 2 93 LEU HB2 2 94 LYS H . . 4.500 3.891 3.836 3.963 . 0 0 "[ . 1 . 2]" 1
1424 2 93 LEU HB3 2 94 LYS H . . 4.500 2.628 2.543 2.708 . 0 0 "[ . 1 . 2]" 1
1425 2 94 LYS H 2 95 ASN H . . 2.700 2.703 2.660 2.731 0.031 19 0 "[ . 1 . 2]" 1
1426 2 95 ASN H 2 95 ASN HB2 . . 2.700 2.286 2.237 2.354 . 0 0 "[ . 1 . 2]" 1
1427 2 95 ASN H 2 95 ASN HB3 . . 3.500 3.539 3.524 3.553 0.053 3 0 "[ . 1 . 2]" 1
1428 2 95 ASN H 2 95 ASN HD21 . . 5.500 3.475 2.407 4.472 . 0 0 "[ . 1 . 2]" 1
1429 2 95 ASN H 2 95 ASN HD22 . . 5.500 4.358 3.937 4.817 . 0 0 "[ . 1 . 2]" 1
1430 2 95 ASN H 2 96 ALA H . . 3.500 2.727 2.632 2.800 . 0 0 "[ . 1 . 2]" 1
1431 2 95 ASN H 2 97 SER H . . 5.500 4.270 4.083 4.420 . 0 0 "[ . 1 . 2]" 1
1432 2 95 ASN HA 2 95 ASN QB . . 2.700 2.463 2.416 2.507 . 0 0 "[ . 1 . 2]" 1
1433 2 95 ASN HA 2 95 ASN HB3 . . 2.700 2.603 2.532 2.673 . 0 0 "[ . 1 . 2]" 1
1434 2 95 ASN HA 2 95 ASN HD21 . . 4.500 4.075 3.578 4.494 . 0 0 "[ . 1 . 2]" 1
1435 2 95 ASN HA 2 96 ALA H . . 4.500 3.588 3.561 3.601 . 0 0 "[ . 1 . 2]" 1
1436 2 95 ASN HA 2 97 SER H . . 4.500 4.111 3.768 4.359 . 0 0 "[ . 1 . 2]" 1
1437 2 95 ASN QB 2 95 ASN HD22 . . 3.500 3.291 3.233 3.360 . 0 0 "[ . 1 . 2]" 1
1438 2 95 ASN HB2 2 95 ASN HD21 . . 3.500 2.448 2.330 2.644 . 0 0 "[ . 1 . 2]" 1
1439 2 95 ASN HB2 2 96 ALA H . . 4.500 2.873 2.659 3.030 . 0 0 "[ . 1 . 2]" 1
1440 2 95 ASN HB2 2 96 ALA HA . . 5.500 4.703 4.556 4.861 . 0 0 "[ . 1 . 2]" 1
1441 2 95 ASN HB3 2 95 ASN HD21 . . 3.500 3.027 2.500 3.530 0.030 13 0 "[ . 1 . 2]" 1
1442 2 95 ASN HB3 2 96 ALA H . . 4.500 3.535 3.392 3.749 . 0 0 "[ . 1 . 2]" 1
1443 2 95 ASN HB3 2 96 ALA HA . . 4.500 4.343 4.216 4.505 0.005 10 0 "[ . 1 . 2]" 1
1444 2 96 ALA H 2 96 ALA MB . . 2.700 2.172 2.158 2.188 . 0 0 "[ . 1 . 2]" 1
1445 2 96 ALA H 2 97 SER H . . 3.500 2.811 2.705 2.871 . 0 0 "[ . 1 . 2]" 1
1446 2 96 ALA HA 2 97 SER H . . 3.500 3.536 3.496 3.559 0.059 13 0 "[ . 1 . 2]" 1
1447 2 96 ALA MB 2 97 SER H . . 3.500 2.841 2.661 3.059 . 0 0 "[ . 1 . 2]" 1
1448 2 96 ALA MB 2 97 SER HA . . 5.500 3.989 3.931 4.055 . 0 0 "[ . 1 . 2]" 1
1449 2 97 SER H 2 97 SER HB2 . . 2.700 2.606 2.539 2.701 0.001 16 0 "[ . 1 . 2]" 1
1450 2 97 SER H 2 98 ASP H . . 3.500 2.896 2.835 2.954 . 0 0 "[ . 1 . 2]" 1
1451 2 97 SER H 2 98 ASP HA . . 5.500 5.424 5.333 5.512 0.012 1 0 "[ . 1 . 2]" 1
1452 2 97 SER HA 2 97 SER HB3 . . 2.700 2.431 2.372 2.465 . 0 0 "[ . 1 . 2]" 1
1453 2 97 SER HA 2 98 ASP H . . 4.500 3.440 3.294 3.499 . 0 0 "[ . 1 . 2]" 1
1454 2 97 SER HA 2 99 LYS H . . 5.500 3.528 3.258 3.789 . 0 0 "[ . 1 . 2]" 1
1455 2 97 SER HB2 2 98 ASP H . . 3.500 3.311 3.133 3.554 0.054 4 0 "[ . 1 . 2]" 1
1456 2 97 SER HB2 2 98 ASP HA . . 4.500 4.527 4.503 4.574 0.074 20 0 "[ . 1 . 2]" 1
1457 2 98 ASP H 2 98 ASP HB2 . . 2.700 2.409 2.259 2.527 . 0 0 "[ . 1 . 2]" 1
1458 2 98 ASP H 2 98 ASP HB3 . . 2.700 2.458 2.274 2.595 . 0 0 "[ . 1 . 2]" 1
1459 2 98 ASP H 2 99 LYS H . . 3.500 2.776 2.635 3.136 . 0 0 "[ . 1 . 2]" 1
1460 2 98 ASP HA 2 99 LYS H . . 4.500 3.449 3.179 3.521 . 0 0 "[ . 1 . 2]" 1
1461 2 98 ASP HA 2 100 ARG H . . 5.500 3.735 3.387 4.192 . 0 0 "[ . 1 . 2]" 1
1462 2 98 ASP HB3 2 99 LYS HE2 . . 4.500 3.858 2.235 4.612 0.112 3 0 "[ . 1 . 2]" 1
1463 2 99 LYS H 2 99 LYS HB2 . . 3.500 2.286 2.080 2.452 . 0 0 "[ . 1 . 2]" 1
1464 2 99 LYS H 2 99 LYS HB3 . . 3.500 3.248 2.636 3.580 0.080 10 0 "[ . 1 . 2]" 1
1465 2 99 LYS H 2 99 LYS HG2 . . 4.500 3.496 2.257 4.529 0.029 18 0 "[ . 1 . 2]" 1
1466 2 99 LYS H 2 100 ARG H . . 3.500 2.910 2.649 3.531 0.031 4 0 "[ . 1 . 2]" 1
1467 2 99 LYS H 2 100 ARG HA . . 5.500 5.369 5.080 5.594 0.094 3 0 "[ . 1 . 2]" 1
1468 2 99 LYS HA 2 99 LYS HE2 . . 3.500 2.705 1.844 3.586 0.086 12 0 "[ . 1 . 2]" 1
1469 2 99 LYS HA 2 100 ARG H . . 3.500 3.280 2.608 3.519 0.019 10 0 "[ . 1 . 2]" 1
1470 2 100 ARG HA 2 100 ARG HD2 . . 4.500 3.818 2.159 4.578 0.078 11 0 "[ . 1 . 2]" 1
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