NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
379557 |
1hze   |
4954 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hze
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 2364
_Distance_constraint_stats_list.Viol_count 171
_Distance_constraint_stats_list.Viol_total 6.955
_Distance_constraint_stats_list.Viol_max 0.403
_Distance_constraint_stats_list.Viol_rms 0.0167
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0407
_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 MET 0.000 0.000 . 0 "[ ]"
1 2 PHE 0.052 0.052 1 0 "[ ]"
1 3 THR 0.055 0.055 1 0 "[ ]"
1 4 GLY 0.000 0.000 . 0 "[ ]"
1 5 ILE 0.055 0.055 1 0 "[ ]"
1 6 VAL 0.000 0.000 . 0 "[ ]"
1 7 GLN 0.000 0.000 . 0 "[ ]"
1 8 GLY 0.037 0.037 1 0 "[ ]"
1 9 THR 0.000 0.000 . 0 "[ ]"
1 10 ALA 0.143 0.070 1 0 "[ ]"
1 11 LYS 0.059 0.033 1 0 "[ ]"
1 12 LEU 0.142 0.096 1 0 "[ ]"
1 13 VAL 0.187 0.068 1 0 "[ ]"
1 14 SER 0.123 0.068 1 0 "[ ]"
1 15 ILE 0.000 0.000 . 0 "[ ]"
1 16 ASP 0.096 0.051 1 0 "[ ]"
1 17 GLU 0.001 0.001 1 0 "[ ]"
1 18 LYS 0.000 0.000 . 0 "[ ]"
1 19 PRO 0.000 0.000 . 0 "[ ]"
1 20 ASN 0.021 0.021 1 0 "[ ]"
1 21 PHE 0.033 0.021 1 0 "[ ]"
1 22 ARG 0.038 0.036 1 0 "[ ]"
1 23 THR 0.073 0.051 1 0 "[ ]"
1 24 HIS 0.102 0.079 1 0 "[ ]"
1 25 VAL 0.169 0.067 1 0 "[ ]"
1 26 VAL 0.098 0.041 1 0 "[ ]"
1 27 GLU 0.281 0.078 1 0 "[ ]"
1 28 LEU 0.228 0.106 1 0 "[ ]"
1 29 PRO 0.044 0.044 1 0 "[ ]"
1 30 ASP 0.005 0.005 1 0 "[ ]"
1 31 HIS 0.022 0.022 1 0 "[ ]"
1 32 MET 0.005 0.005 1 0 "[ ]"
1 33 LEU 0.040 0.040 1 0 "[ ]"
1 34 ASP 0.000 0.000 . 0 "[ ]"
1 35 GLY 0.024 0.020 1 0 "[ ]"
1 36 LEU 0.024 0.020 1 0 "[ ]"
1 37 GLU 0.000 0.000 . 0 "[ ]"
1 38 THR 0.056 0.030 1 0 "[ ]"
1 39 GLY 0.000 0.000 . 0 "[ ]"
1 40 ALA 0.000 0.000 . 0 "[ ]"
1 41 SER 0.032 0.019 1 0 "[ ]"
1 42 VAL 0.090 0.065 1 0 "[ ]"
1 43 ALA 0.016 0.016 1 0 "[ ]"
1 44 HIS 0.108 0.065 1 0 "[ ]"
1 45 ASN 0.115 0.066 1 0 "[ ]"
1 46 GLY 0.000 0.000 . 0 "[ ]"
1 47 CYS 0.042 0.041 1 0 "[ ]"
1 48 CYS 0.019 0.019 1 0 "[ ]"
1 49 LEU 0.016 0.016 1 0 "[ ]"
1 50 THR 0.015 0.015 1 0 "[ ]"
1 51 VAL 0.026 0.026 1 0 "[ ]"
1 52 THR 0.000 0.000 . 0 "[ ]"
1 53 GLU 0.090 0.061 1 0 "[ ]"
1 54 ILE 0.132 0.094 1 0 "[ ]"
1 55 ASN 0.000 0.000 . 0 "[ ]"
1 56 GLY 0.000 0.000 . 0 "[ ]"
1 57 ASN 0.252 0.106 1 0 "[ ]"
1 58 HIS 0.183 0.094 1 0 "[ ]"
1 59 VAL 0.034 0.032 1 0 "[ ]"
1 60 SER 0.096 0.067 1 0 "[ ]"
1 61 PHE 0.161 0.079 1 0 "[ ]"
1 62 ASP 0.095 0.095 1 0 "[ ]"
1 63 LEU 0.144 0.095 1 0 "[ ]"
1 64 MET 0.000 0.000 . 0 "[ ]"
1 65 LYS 0.000 0.000 . 0 "[ ]"
1 66 GLU 0.066 0.066 1 0 "[ ]"
1 67 THR 0.000 0.000 . 0 "[ ]"
1 68 LEU 0.020 0.015 1 0 "[ ]"
1 69 ARG 0.130 0.066 1 0 "[ ]"
1 70 ILE 0.516 0.403 1 0 "[ ]"
1 71 THR 0.181 0.063 1 0 "[ ]"
1 72 ASN 0.413 0.193 1 0 "[ ]"
1 73 LEU 0.103 0.041 1 0 "[ ]"
1 74 GLY 0.106 0.056 1 0 "[ ]"
1 75 ASP 0.016 0.016 1 0 "[ ]"
1 76 LEU 0.069 0.054 1 0 "[ ]"
1 77 LYS 0.054 0.054 1 0 "[ ]"
1 78 VAL 0.096 0.096 1 0 "[ ]"
1 79 GLY 0.000 0.000 . 0 "[ ]"
1 80 ASP 0.004 0.004 1 0 "[ ]"
1 81 TRP 0.101 0.038 1 0 "[ ]"
1 82 VAL 0.000 0.000 . 0 "[ ]"
1 83 ASN 0.155 0.066 1 0 "[ ]"
1 84 VAL 0.000 0.000 . 0 "[ ]"
1 85 GLU 0.037 0.027 1 0 "[ ]"
1 86 ARG 0.000 0.000 . 0 "[ ]"
1 87 ALA 0.000 0.000 . 0 "[ ]"
1 88 ALA 0.000 0.000 . 0 "[ ]"
1 89 LYS 0.000 0.000 . 0 "[ ]"
1 90 PHE 0.021 0.013 1 0 "[ ]"
1 91 SER 0.008 0.008 1 0 "[ ]"
1 92 ASP 0.000 0.000 . 0 "[ ]"
1 93 GLU 0.084 0.084 1 0 "[ ]"
1 94 ILE 0.087 0.084 1 0 "[ ]"
1 95 GLY 0.003 0.003 1 0 "[ ]"
1 96 GLY 0.000 0.000 . 0 "[ ]"
2 1 MET 0.000 0.000 . 0 "[ ]"
2 2 PHE 0.051 0.051 1 0 "[ ]"
2 3 THR 0.055 0.055 1 0 "[ ]"
2 4 GLY 0.000 0.000 . 0 "[ ]"
2 5 ILE 0.055 0.055 1 0 "[ ]"
2 6 VAL 0.000 0.000 . 0 "[ ]"
2 7 GLN 0.000 0.000 . 0 "[ ]"
2 8 GLY 0.038 0.038 1 0 "[ ]"
2 9 THR 0.000 0.000 . 0 "[ ]"
2 10 ALA 0.134 0.068 1 0 "[ ]"
2 11 LYS 0.058 0.032 1 0 "[ ]"
2 12 LEU 0.142 0.095 1 0 "[ ]"
2 13 VAL 0.184 0.063 1 0 "[ ]"
2 14 SER 0.125 0.063 1 0 "[ ]"
2 15 ILE 0.000 0.000 . 0 "[ ]"
2 16 ASP 0.091 0.051 1 0 "[ ]"
2 17 GLU 0.000 0.000 1 0 "[ ]"
2 18 LYS 0.000 0.000 . 0 "[ ]"
2 19 PRO 0.000 0.000 . 0 "[ ]"
2 20 ASN 0.014 0.014 1 0 "[ ]"
2 21 PHE 0.024 0.014 1 0 "[ ]"
2 22 ARG 0.034 0.033 1 0 "[ ]"
2 23 THR 0.070 0.051 1 0 "[ ]"
2 24 HIS 0.089 0.068 1 0 "[ ]"
2 25 VAL 0.159 0.065 1 0 "[ ]"
2 26 VAL 0.103 0.048 1 0 "[ ]"
2 27 GLU 0.282 0.076 1 0 "[ ]"
2 28 LEU 0.229 0.105 1 0 "[ ]"
2 29 PRO 0.044 0.044 1 0 "[ ]"
2 30 ASP 0.005 0.005 1 0 "[ ]"
2 31 HIS 0.022 0.022 1 0 "[ ]"
2 32 MET 0.005 0.005 1 0 "[ ]"
2 33 LEU 0.040 0.040 1 0 "[ ]"
2 34 ASP 0.000 0.000 . 0 "[ ]"
2 35 GLY 0.025 0.021 1 0 "[ ]"
2 36 LEU 0.025 0.021 1 0 "[ ]"
2 37 GLU 0.000 0.000 . 0 "[ ]"
2 38 THR 0.056 0.030 1 0 "[ ]"
2 39 GLY 0.000 0.000 . 0 "[ ]"
2 40 ALA 0.000 0.000 . 0 "[ ]"
2 41 SER 0.028 0.020 1 0 "[ ]"
2 42 VAL 0.080 0.063 1 0 "[ ]"
2 43 ALA 0.016 0.016 1 0 "[ ]"
2 44 HIS 0.117 0.063 1 0 "[ ]"
2 45 ASN 0.063 0.053 1 0 "[ ]"
2 46 GLY 0.000 0.000 . 0 "[ ]"
2 47 CYS 0.042 0.041 1 0 "[ ]"
2 48 CYS 0.020 0.020 1 0 "[ ]"
2 49 LEU 0.016 0.016 1 0 "[ ]"
2 50 THR 0.013 0.013 1 0 "[ ]"
2 51 VAL 0.026 0.026 1 0 "[ ]"
2 52 THR 0.000 0.000 . 0 "[ ]"
2 53 GLU 0.083 0.064 1 0 "[ ]"
2 54 ILE 0.133 0.094 1 0 "[ ]"
2 55 ASN 0.000 0.000 . 0 "[ ]"
2 56 GLY 0.000 0.000 . 0 "[ ]"
2 57 ASN 0.249 0.105 1 0 "[ ]"
2 58 HIS 0.192 0.094 1 0 "[ ]"
2 59 VAL 0.033 0.028 1 0 "[ ]"
2 60 SER 0.084 0.065 1 0 "[ ]"
2 61 PHE 0.144 0.068 1 0 "[ ]"
2 62 ASP 0.095 0.095 1 0 "[ ]"
2 63 LEU 0.139 0.095 1 0 "[ ]"
2 64 MET 0.000 0.000 . 0 "[ ]"
2 65 LYS 0.000 0.000 . 0 "[ ]"
2 66 GLU 0.066 0.066 1 0 "[ ]"
2 67 THR 0.000 0.000 . 0 "[ ]"
2 68 LEU 0.027 0.022 1 0 "[ ]"
2 69 ARG 0.139 0.066 1 0 "[ ]"
2 70 ILE 0.507 0.396 1 0 "[ ]"
2 71 THR 0.175 0.061 1 0 "[ ]"
2 72 ASN 0.088 0.049 1 0 "[ ]"
2 73 LEU 0.104 0.041 1 0 "[ ]"
2 74 GLY 0.106 0.055 1 0 "[ ]"
2 75 ASP 0.016 0.016 1 0 "[ ]"
2 76 LEU 0.070 0.054 1 0 "[ ]"
2 77 LYS 0.054 0.054 1 0 "[ ]"
2 78 VAL 0.095 0.095 1 0 "[ ]"
2 79 GLY 0.000 0.000 . 0 "[ ]"
2 80 ASP 0.005 0.005 1 0 "[ ]"
2 81 TRP 0.099 0.036 1 0 "[ ]"
2 82 VAL 0.097 0.097 1 0 "[ ]"
2 83 ASN 0.411 0.193 1 0 "[ ]"
2 84 VAL 0.006 0.006 1 0 "[ ]"
2 85 GLU 0.038 0.034 1 0 "[ ]"
2 86 ARG 0.000 0.000 . 0 "[ ]"
2 87 ALA 0.000 0.000 . 0 "[ ]"
2 88 ALA 0.000 0.000 . 0 "[ ]"
2 89 LYS 0.000 0.000 . 0 "[ ]"
2 90 PHE 0.020 0.012 1 0 "[ ]"
2 91 SER 0.007 0.007 1 0 "[ ]"
2 92 ASP 0.000 0.000 . 0 "[ ]"
2 93 GLU 0.056 0.045 1 0 "[ ]"
2 94 ILE 0.056 0.045 1 0 "[ ]"
2 95 GLY 0.000 0.000 . 0 "[ ]"
2 96 GLY 0.000 0.000 . 0 "[ ]"
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 2 PHE H 1 2 PHE HA 3.200 2.600 4.200 2.860 2.860 2.860 . 0 0 "[ ]" 1
2 1 2 PHE H 1 2 PHE HB3 0.000 . 4.000 3.374 3.374 3.374 . 0 0 "[ ]" 1
3 1 2 PHE H 1 2 PHE HB2 0.000 . 4.000 4.052 4.052 4.052 0.052 1 0 "[ ]" 1
4 1 3 THR HA 1 3 THR HB 0.000 . 2.700 2.503 2.503 2.503 . 0 0 "[ ]" 1
5 1 3 THR H 1 3 THR HA 3.200 2.600 4.200 2.993 2.993 2.993 . 0 0 "[ ]" 1
6 1 3 THR H 1 3 THR HB 0.000 . 4.000 3.735 3.735 3.735 . 0 0 "[ ]" 1
7 1 3 THR H 1 3 THR MG 0.000 . 4.000 2.787 2.787 2.787 . 0 0 "[ ]" 1
8 1 5 ILE H 1 5 ILE HB 0.000 . 3.200 2.402 2.402 2.402 . 0 0 "[ ]" 1
9 1 5 ILE H 1 5 ILE HA 3.200 2.600 4.200 2.922 2.922 2.922 . 0 0 "[ ]" 1
10 1 5 ILE H 1 5 ILE MD 0.000 . 5.800 3.363 3.363 3.363 . 0 0 "[ ]" 1
11 1 5 ILE H 1 5 ILE HG13 0.000 . 4.000 2.018 2.018 2.018 . 0 0 "[ ]" 1
12 1 5 ILE H 1 5 ILE HG12 0.000 . 4.000 3.404 3.404 3.404 . 0 0 "[ ]" 1
13 1 6 VAL HA 1 6 VAL MG1 0.000 . 3.500 2.662 2.662 2.662 . 0 0 "[ ]" 1
14 1 6 VAL HA 1 6 VAL MG2 0.000 . 3.500 2.045 2.045 2.045 . 0 0 "[ ]" 1
15 1 6 VAL H 1 6 VAL HA 3.200 2.600 4.200 2.940 2.940 2.940 . 0 0 "[ ]" 1
16 1 6 VAL H 1 6 VAL HB 0.000 . 3.200 2.072 2.072 2.072 . 0 0 "[ ]" 1
17 1 6 VAL H 1 6 VAL QG 0.000 . 4.200 2.794 2.794 2.794 . 0 0 "[ ]" 1
18 1 7 GLN H 1 7 GLN HA 3.200 2.600 4.200 2.895 2.895 2.895 . 0 0 "[ ]" 1
19 1 7 GLN H 1 7 GLN QB 0.000 . 3.500 2.222 2.222 2.222 . 0 0 "[ ]" 1
20 1 7 GLN H 1 7 GLN QG 0.000 . 3.500 2.284 2.284 2.284 . 0 0 "[ ]" 1
21 1 9 THR HA 1 9 THR HB 0.000 . 2.700 2.549 2.549 2.549 . 0 0 "[ ]" 1
22 1 9 THR HA 1 9 THR MG 0.000 . 3.500 2.322 2.322 2.322 . 0 0 "[ ]" 1
23 1 9 THR H 1 9 THR HA 3.200 2.600 4.200 2.999 2.999 2.999 . 0 0 "[ ]" 1
24 1 9 THR H 1 9 THR MG 0.000 . 4.000 2.904 2.904 2.904 . 0 0 "[ ]" 1
25 1 10 ALA H 1 10 ALA HA 3.200 2.600 4.200 2.999 2.999 2.999 . 0 0 "[ ]" 1
26 1 10 ALA H 1 10 ALA MB 0.000 . 3.500 2.380 2.380 2.380 . 0 0 "[ ]" 1
27 1 11 LYS HA 1 11 LYS QD 0.000 . 4.800 3.907 3.907 3.907 . 0 0 "[ ]" 1
28 1 11 LYS HA 1 11 LYS HG3 0.000 . 3.200 2.441 2.441 2.441 . 0 0 "[ ]" 1
29 1 11 LYS HA 1 11 LYS HG2 0.000 . 3.200 3.120 3.120 3.120 . 0 0 "[ ]" 1
30 1 11 LYS H 1 11 LYS HA 3.200 2.600 4.200 2.995 2.995 2.995 . 0 0 "[ ]" 1
31 1 11 LYS HA 1 11 LYS HB3 3.200 2.700 4.200 3.028 3.028 3.028 . 0 0 "[ ]" 1
32 1 11 LYS HB3 1 11 LYS QE 0.000 . 4.800 3.440 3.440 3.440 . 0 0 "[ ]" 1
33 1 11 LYS H 1 11 LYS HB3 0.000 . 3.200 2.432 2.432 2.432 . 0 0 "[ ]" 1
34 1 11 LYS HA 1 11 LYS HB2 0.000 . 2.700 2.472 2.472 2.472 . 0 0 "[ ]" 1
35 1 11 LYS HB2 1 11 LYS QD 0.000 . 3.500 2.375 2.375 2.375 . 0 0 "[ ]" 1
36 1 11 LYS HB2 1 11 LYS QE 0.000 . 4.800 4.017 4.017 4.017 . 0 0 "[ ]" 1
37 1 11 LYS H 1 11 LYS HB2 0.000 . 3.200 2.812 2.812 2.812 . 0 0 "[ ]" 1
38 1 12 LEU H 1 12 LEU HA 3.200 2.600 4.200 2.879 2.879 2.879 . 0 0 "[ ]" 1
39 1 12 LEU H 1 12 LEU HB3 0.000 . 3.200 2.680 2.680 2.680 . 0 0 "[ ]" 1
40 1 12 LEU H 1 12 LEU HB2 0.000 . 3.200 2.200 2.200 2.200 . 0 0 "[ ]" 1
41 1 13 VAL HA 1 13 VAL HB 0.000 . 2.700 2.359 2.359 2.359 . 0 0 "[ ]" 1
42 1 13 VAL HA 1 13 VAL MG2 0.000 . 3.500 2.462 2.462 2.462 . 0 0 "[ ]" 1
43 1 13 VAL H 1 13 VAL HA 3.200 2.600 4.200 2.993 2.993 2.993 . 0 0 "[ ]" 1
44 1 13 VAL H 1 13 VAL HB 0.000 . 3.200 3.232 3.232 3.232 0.032 1 0 "[ ]" 1
45 1 13 VAL H 1 13 VAL MG1 0.000 . 3.500 1.782 1.782 1.782 . 0 0 "[ ]" 1
46 1 14 SER H 1 14 SER HA 3.200 2.600 4.200 2.998 2.998 2.998 . 0 0 "[ ]" 1
47 1 15 ILE HA 1 15 ILE HB 3.200 2.700 4.200 3.027 3.027 3.027 . 0 0 "[ ]" 1
48 1 15 ILE H 1 15 ILE HA 3.200 2.600 4.200 3.004 3.004 3.004 . 0 0 "[ ]" 1
49 1 15 ILE H 1 15 ILE HB 0.000 . 3.200 2.655 2.655 2.655 . 0 0 "[ ]" 1
50 1 15 ILE H 1 15 ILE MD 0.000 . 5.800 3.853 3.853 3.853 . 0 0 "[ ]" 1
51 1 15 ILE H 1 15 ILE QG 0.000 . 4.800 2.277 2.277 2.277 . 0 0 "[ ]" 1
52 1 16 ASP H 1 16 ASP HA 3.200 2.600 4.200 2.986 2.986 2.986 . 0 0 "[ ]" 1
53 1 16 ASP H 1 16 ASP QB 0.000 . 3.500 2.277 2.277 2.277 . 0 0 "[ ]" 1
54 1 17 GLU H 1 17 GLU HA 3.200 2.600 4.200 2.981 2.981 2.981 . 0 0 "[ ]" 1
55 1 17 GLU H 1 17 GLU QB 0.000 . 3.500 2.255 2.255 2.255 . 0 0 "[ ]" 1
56 1 18 LYS HB2 1 18 LYS QE 0.000 . 4.000 2.589 2.589 2.589 . 0 0 "[ ]" 1
57 1 18 LYS H 1 18 LYS HA 3.200 2.600 4.200 3.002 3.002 3.002 . 0 0 "[ ]" 1
58 1 18 LYS H 1 18 LYS HB3 0.000 . 4.000 3.740 3.740 3.740 . 0 0 "[ ]" 1
59 1 18 LYS H 1 18 LYS HB2 0.000 . 3.200 2.782 2.782 2.782 . 0 0 "[ ]" 1
60 1 18 LYS H 1 18 LYS QD 0.000 . 4.800 4.274 4.274 4.274 . 0 0 "[ ]" 1
61 1 18 LYS H 1 18 LYS QG 0.000 . 4.000 2.368 2.368 2.368 . 0 0 "[ ]" 1
62 1 21 PHE H 1 21 PHE HA 3.200 2.600 4.200 2.953 2.953 2.953 . 0 0 "[ ]" 1
63 1 22 ARG HD3 1 22 ARG HE 3.200 2.700 4.200 2.730 2.730 2.730 . 0 0 "[ ]" 1
64 1 22 ARG HD2 1 22 ARG HE 3.200 2.700 4.200 2.941 2.941 2.941 . 0 0 "[ ]" 1
65 1 22 ARG HE 1 22 ARG QG 0.000 . 3.500 2.188 2.188 2.188 . 0 0 "[ ]" 1
66 1 22 ARG H 1 22 ARG HA 3.200 2.600 4.200 2.958 2.958 2.958 . 0 0 "[ ]" 1
67 1 22 ARG H 1 22 ARG QG 0.000 . 4.800 3.969 3.969 3.969 . 0 0 "[ ]" 1
68 1 23 THR H 1 23 THR HA 3.200 2.600 4.200 2.996 2.996 2.996 . 0 0 "[ ]" 1
69 1 23 THR H 1 23 THR HB 0.000 . 3.200 2.512 2.512 2.512 . 0 0 "[ ]" 1
70 1 23 THR H 1 23 THR MG 0.000 . 4.800 3.804 3.804 3.804 . 0 0 "[ ]" 1
71 1 24 HIS HA 1 24 HIS HD2 0.000 . 3.200 2.352 2.352 2.352 . 0 0 "[ ]" 1
72 1 24 HIS H 1 24 HIS HA 3.200 2.600 4.200 2.996 2.996 2.996 . 0 0 "[ ]" 1
73 1 24 HIS H 1 24 HIS HB3 0.000 . 4.000 3.425 3.425 3.425 . 0 0 "[ ]" 1
74 1 24 HIS H 1 24 HIS HB2 0.000 . 3.200 2.402 2.402 2.402 . 0 0 "[ ]" 1
75 1 25 VAL HA 1 25 VAL HB 3.000 2.700 3.200 3.014 3.014 3.014 . 0 0 "[ ]" 1
76 1 25 VAL HA 1 25 VAL MG1 0.000 . 3.200 2.335 2.335 2.335 . 0 0 "[ ]" 1
77 1 25 VAL HA 1 25 VAL MG2 0.000 . 3.500 2.406 2.406 2.406 . 0 0 "[ ]" 1
78 1 25 VAL H 1 25 VAL HA 3.200 2.600 4.200 2.993 2.993 2.993 . 0 0 "[ ]" 1
79 1 25 VAL H 1 25 VAL HB 0.000 . 3.200 2.607 2.607 2.607 . 0 0 "[ ]" 1
80 1 26 VAL HA 1 26 VAL HB 0.000 . 2.700 2.438 2.438 2.438 . 0 0 "[ ]" 1
81 1 26 VAL H 1 26 VAL HB 0.000 . 4.000 3.686 3.686 3.686 . 0 0 "[ ]" 1
82 1 26 VAL H 1 26 VAL MG2 0.000 . 3.200 1.843 1.843 1.843 . 0 0 "[ ]" 1
83 1 26 VAL H 1 26 VAL HA 3.200 2.600 4.200 2.995 2.995 2.995 . 0 0 "[ ]" 1
84 1 27 GLU HA 1 27 GLU HB3 3.200 2.700 4.200 2.967 2.967 2.967 . 0 0 "[ ]" 1
85 1 27 GLU HA 1 27 GLU HB2 0.000 . 2.700 2.703 2.703 2.703 0.003 1 0 "[ ]" 1
86 1 27 GLU H 1 27 GLU HA 3.200 2.600 4.200 2.977 2.977 2.977 . 0 0 "[ ]" 1
87 1 27 GLU H 1 27 GLU HB3 0.000 . 2.700 2.751 2.751 2.751 0.051 1 0 "[ ]" 1
88 1 27 GLU H 1 27 GLU HB2 0.000 . 2.700 2.307 2.307 2.307 . 0 0 "[ ]" 1
89 1 28 LEU HA 1 28 LEU HB3 3.200 2.700 4.200 2.992 2.992 2.992 . 0 0 "[ ]" 1
90 1 28 LEU HA 1 28 LEU HB2 0.000 . 2.700 2.659 2.659 2.659 . 0 0 "[ ]" 1
91 1 28 LEU H 1 28 LEU HA 3.200 2.600 4.200 2.907 2.907 2.907 . 0 0 "[ ]" 1
92 1 28 LEU H 1 28 LEU HB3 0.000 . 2.700 2.744 2.744 2.744 0.044 1 0 "[ ]" 1
93 1 28 LEU H 1 28 LEU HB2 0.000 . 2.700 2.136 2.136 2.136 . 0 0 "[ ]" 1
94 1 29 PRO HA 1 29 PRO HB3 0.000 . 2.700 2.289 2.289 2.289 . 0 0 "[ ]" 1
95 1 29 PRO HA 1 29 PRO HB2 0.000 . 2.700 2.744 2.744 2.744 0.044 1 0 "[ ]" 1
96 1 29 PRO HA 1 29 PRO QD 0.000 . 4.000 3.362 3.362 3.362 . 0 0 "[ ]" 1
97 1 30 ASP H 1 30 ASP HA 3.200 2.600 4.200 2.816 2.816 2.816 . 0 0 "[ ]" 1
98 1 30 ASP H 1 30 ASP QB 0.000 . 3.500 2.164 2.164 2.164 . 0 0 "[ ]" 1
99 1 31 HIS HB3 1 31 HIS HD2 0.000 . 3.200 3.222 3.222 3.222 0.022 1 0 "[ ]" 1
100 1 31 HIS HB2 1 31 HIS HD2 0.000 . 3.200 2.951 2.951 2.951 . 0 0 "[ ]" 1
101 1 31 HIS H 1 31 HIS HA 3.200 2.600 4.200 2.939 2.939 2.939 . 0 0 "[ ]" 1
102 1 31 HIS H 1 31 HIS HB3 0.000 . 3.200 2.569 2.569 2.569 . 0 0 "[ ]" 1
103 1 31 HIS H 1 31 HIS HB2 0.000 . 4.000 3.593 3.593 3.593 . 0 0 "[ ]" 1
104 1 32 MET H 1 32 MET QG 0.000 . 3.500 2.817 2.817 2.817 . 0 0 "[ ]" 1
105 1 32 MET H 1 32 MET HA 3.200 2.600 4.200 3.003 3.003 3.003 . 0 0 "[ ]" 1
106 1 32 MET H 1 32 MET QB 0.000 . 3.500 2.405 2.405 2.405 . 0 0 "[ ]" 1
107 1 33 LEU H 1 33 LEU QD 0.000 . 4.700 3.202 3.202 3.202 . 0 0 "[ ]" 1
108 1 33 LEU H 1 33 LEU HG 0.000 . 2.700 2.609 2.609 2.609 . 0 0 "[ ]" 1
109 1 33 LEU H 1 33 LEU HA 3.200 2.600 4.200 2.897 2.897 2.897 . 0 0 "[ ]" 1
110 1 33 LEU H 1 33 LEU QB 0.000 . 3.500 2.122 2.122 2.122 . 0 0 "[ ]" 1
111 1 34 ASP H 1 34 ASP HA 3.200 2.600 4.200 2.956 2.956 2.956 . 0 0 "[ ]" 1
112 1 34 ASP H 1 34 ASP QB 0.000 . 3.500 2.205 2.205 2.205 . 0 0 "[ ]" 1
113 1 36 LEU H 1 36 LEU HA 3.200 2.600 4.200 2.817 2.817 2.817 . 0 0 "[ ]" 1
114 1 36 LEU H 1 36 LEU HB3 0.000 . 2.700 2.618 2.618 2.618 . 0 0 "[ ]" 1
115 1 36 LEU H 1 36 LEU HB2 0.000 . 2.700 2.284 2.284 2.284 . 0 0 "[ ]" 1
116 1 37 GLU H 1 37 GLU HA 3.200 2.600 4.200 2.982 2.982 2.982 . 0 0 "[ ]" 1
117 1 37 GLU H 1 37 GLU QB 0.000 . 3.500 2.980 2.980 2.980 . 0 0 "[ ]" 1
118 1 37 GLU H 1 37 GLU QG 0.000 . 3.500 2.174 2.174 2.174 . 0 0 "[ ]" 1
119 1 38 THR H 1 38 THR HA 3.200 2.600 4.200 2.891 2.891 2.891 . 0 0 "[ ]" 1
120 1 38 THR H 1 38 THR HB 0.000 . 4.000 3.313 3.313 3.313 . 0 0 "[ ]" 1
121 1 40 ALA H 1 40 ALA HA 3.200 2.600 4.200 2.937 2.937 2.937 . 0 0 "[ ]" 1
122 1 40 ALA H 1 40 ALA MB 0.000 . 3.500 2.069 2.069 2.069 . 0 0 "[ ]" 1
123 1 41 SER HA 1 41 SER HB3 0.000 . 2.700 2.297 2.297 2.297 . 0 0 "[ ]" 1
124 1 41 SER HA 1 41 SER HB2 0.000 . 2.700 2.702 2.702 2.702 0.002 1 0 "[ ]" 1
125 1 41 SER H 1 41 SER HA 3.200 2.600 4.200 2.989 2.989 2.989 . 0 0 "[ ]" 1
126 1 41 SER H 1 41 SER HB3 0.000 . 3.200 3.211 3.211 3.211 0.011 1 0 "[ ]" 1
127 1 41 SER H 1 41 SER HB2 0.000 . 4.000 3.432 3.432 3.432 . 0 0 "[ ]" 1
128 1 42 VAL H 1 42 VAL HA 3.200 2.600 4.200 2.988 2.988 2.988 . 0 0 "[ ]" 1
129 1 42 VAL H 1 42 VAL HB 0.000 . 3.200 2.187 2.187 2.187 . 0 0 "[ ]" 1
130 1 43 ALA H 1 43 ALA HA 3.200 2.600 4.200 2.973 2.973 2.973 . 0 0 "[ ]" 1
131 1 43 ALA H 1 43 ALA MB 0.000 . 3.500 2.240 2.240 2.240 . 0 0 "[ ]" 1
132 1 44 HIS H 1 44 HIS HA 3.200 2.600 4.200 2.965 2.965 2.965 . 0 0 "[ ]" 1
133 1 44 HIS H 1 44 HIS HD1 0.000 . 3.200 2.866 2.866 2.866 . 0 0 "[ ]" 1
134 1 45 ASN HA 1 45 ASN HB3 3.200 2.700 4.200 2.973 2.973 2.973 . 0 0 "[ ]" 1
135 1 45 ASN HA 1 45 ASN HB2 0.000 . 2.700 2.697 2.697 2.697 . 0 0 "[ ]" 1
136 1 45 ASN HA 1 45 ASN HD21 4.000 3.200 5.000 3.188 3.188 3.188 0.012 1 0 "[ ]" 1
137 1 45 ASN HB2 1 45 ASN HD21 0.000 . 2.700 2.299 2.299 2.299 . 0 0 "[ ]" 1
138 1 45 ASN H 1 45 ASN HA 0.000 . 2.700 2.335 2.335 2.335 . 0 0 "[ ]" 1
139 1 47 CYS H 1 47 CYS HB3 0.000 . 3.200 2.564 2.564 2.564 . 0 0 "[ ]" 1
140 1 47 CYS H 1 47 CYS HB2 0.000 . 3.200 2.695 2.695 2.695 . 0 0 "[ ]" 1
141 1 47 CYS H 1 47 CYS HA 3.200 2.600 4.200 2.993 2.993 2.993 . 0 0 "[ ]" 1
142 1 48 CYS H 1 48 CYS HA 3.200 2.600 4.200 2.881 2.881 2.881 . 0 0 "[ ]" 1
143 1 49 LEU H 1 49 LEU HA 3.200 2.600 4.200 2.974 2.974 2.974 . 0 0 "[ ]" 1
144 1 49 LEU H 1 49 LEU HB2 0.000 . 4.000 3.753 3.753 3.753 . 0 0 "[ ]" 1
145 1 49 LEU H 1 49 LEU MD2 0.000 . 4.800 2.279 2.279 2.279 . 0 0 "[ ]" 1
146 1 50 THR HA 1 50 THR HB 3.200 2.700 4.200 3.036 3.036 3.036 . 0 0 "[ ]" 1
147 1 50 THR HA 1 50 THR MG 0.000 . 3.500 2.249 2.249 2.249 . 0 0 "[ ]" 1
148 1 50 THR H 1 50 THR HA 3.200 2.600 4.200 2.977 2.977 2.977 . 0 0 "[ ]" 1
149 1 50 THR H 1 50 THR HB 0.000 . 3.200 2.479 2.479 2.479 . 0 0 "[ ]" 1
150 1 50 THR H 1 50 THR MG 0.000 . 4.800 3.782 3.782 3.782 . 0 0 "[ ]" 1
151 1 51 VAL HA 1 51 VAL HB 3.200 2.700 4.200 3.034 3.034 3.034 . 0 0 "[ ]" 1
152 1 51 VAL HA 1 51 VAL MG1 0.000 . 3.500 2.209 2.209 2.209 . 0 0 "[ ]" 1
153 1 51 VAL HA 1 51 VAL MG2 0.000 . 3.500 2.417 2.417 2.417 . 0 0 "[ ]" 1
154 1 51 VAL H 1 51 VAL HA 3.200 2.600 4.200 2.918 2.918 2.918 . 0 0 "[ ]" 1
155 1 51 VAL H 1 51 VAL HB 0.000 . 3.200 2.494 2.494 2.494 . 0 0 "[ ]" 1
156 1 51 VAL H 1 51 VAL MG1 0.000 . 4.800 3.704 3.704 3.704 . 0 0 "[ ]" 1
157 1 51 VAL H 1 51 VAL MG2 0.000 . 4.000 2.074 2.074 2.074 . 0 0 "[ ]" 1
158 1 52 THR HA 1 52 THR MG 0.000 . 3.500 2.369 2.369 2.369 . 0 0 "[ ]" 1
159 1 52 THR H 1 52 THR MG 0.000 . 3.500 1.915 1.915 1.915 . 0 0 "[ ]" 1
160 1 52 THR H 1 52 THR HA 3.200 2.600 4.200 2.899 2.899 2.899 . 0 0 "[ ]" 1
161 1 52 THR H 1 52 THR HB 0.000 . 4.000 3.532 3.532 3.532 . 0 0 "[ ]" 1
162 1 53 GLU H 1 53 GLU HA 3.200 2.600 4.200 2.941 2.941 2.941 . 0 0 "[ ]" 1
163 1 53 GLU HA 1 53 GLU QG 0.000 . 3.500 2.412 2.412 2.412 . 0 0 "[ ]" 1
164 1 53 GLU H 1 53 GLU QB 0.000 . 3.500 2.763 2.763 2.763 . 0 0 "[ ]" 1
165 1 53 GLU H 1 53 GLU QG 0.000 . 4.800 4.140 4.140 4.140 . 0 0 "[ ]" 1
166 1 54 ILE HA 1 54 ILE HB 3.200 2.700 4.200 3.038 3.038 3.038 . 0 0 "[ ]" 1
167 1 54 ILE HB 1 54 ILE MD 0.000 . 3.500 2.075 2.075 2.075 . 0 0 "[ ]" 1
168 1 54 ILE HA 1 54 ILE MG 0.000 . 3.500 2.464 2.464 2.464 . 0 0 "[ ]" 1
169 1 54 ILE H 1 54 ILE HA 3.200 2.600 4.200 3.006 3.006 3.006 . 0 0 "[ ]" 1
170 1 54 ILE H 1 54 ILE HB 0.000 . 2.700 2.368 2.368 2.368 . 0 0 "[ ]" 1
171 1 54 ILE H 1 54 ILE MD 0.000 . 4.800 3.242 3.242 3.242 . 0 0 "[ ]" 1
172 1 54 ILE H 1 54 ILE QG 0.000 . 4.000 2.881 2.881 2.881 . 0 0 "[ ]" 1
173 1 54 ILE H 1 54 ILE MG 0.000 . 4.800 3.721 3.721 3.721 . 0 0 "[ ]" 1
174 1 55 ASN H 1 55 ASN HA 3.200 2.600 4.200 2.990 2.990 2.990 . 0 0 "[ ]" 1
175 1 55 ASN H 1 55 ASN HB3 0.000 . 4.000 3.562 3.562 3.562 . 0 0 "[ ]" 1
176 1 55 ASN H 1 55 ASN HB2 0.000 . 3.200 2.262 2.262 2.262 . 0 0 "[ ]" 1
177 1 57 ASN HA 1 57 ASN HB3 0.000 . 2.700 2.759 2.759 2.759 0.059 1 0 "[ ]" 1
178 1 57 ASN HA 1 57 ASN HB2 0.000 . 2.700 2.271 2.271 2.271 . 0 0 "[ ]" 1
179 1 57 ASN HA 1 57 ASN HD21 0.000 . 3.200 3.246 3.246 3.246 0.046 1 0 "[ ]" 1
180 1 57 ASN H 1 57 ASN HA 3.200 2.600 4.200 2.930 2.930 2.930 . 0 0 "[ ]" 1
181 1 57 ASN H 1 57 ASN HB3 0.000 . 3.200 2.099 2.099 2.099 . 0 0 "[ ]" 1
182 1 57 ASN H 1 57 ASN HB2 0.000 . 4.000 3.447 3.447 3.447 . 0 0 "[ ]" 1
183 1 57 ASN H 1 57 ASN QD 0.000 . 4.800 4.284 4.284 4.284 . 0 0 "[ ]" 1
184 1 58 HIS HA 1 58 HIS HD2 0.000 . 3.200 2.346 2.346 2.346 . 0 0 "[ ]" 1
185 1 58 HIS HB3 1 58 HIS HD2 0.000 . 4.000 3.260 3.260 3.260 . 0 0 "[ ]" 1
186 1 58 HIS HB2 1 58 HIS HD2 4.000 3.200 5.000 4.004 4.004 4.004 . 0 0 "[ ]" 1
187 1 58 HIS H 1 58 HIS HA 3.200 2.600 4.200 2.905 2.905 2.905 . 0 0 "[ ]" 1
188 1 58 HIS H 1 58 HIS HB3 3.200 2.700 4.200 3.468 3.468 3.468 . 0 0 "[ ]" 1
189 1 58 HIS H 1 58 HIS HB2 0.000 . 3.200 2.117 2.117 2.117 . 0 0 "[ ]" 1
190 1 59 VAL HA 1 59 VAL MG1 0.000 . 3.500 2.396 2.396 2.396 . 0 0 "[ ]" 1
191 1 59 VAL H 1 59 VAL HA 3.200 2.600 4.200 2.966 2.966 2.966 . 0 0 "[ ]" 1
192 1 59 VAL H 1 59 VAL HB 0.000 . 3.200 2.687 2.687 2.687 . 0 0 "[ ]" 1
193 1 60 SER H 1 60 SER HA 3.200 2.600 4.200 2.952 2.952 2.952 . 0 0 "[ ]" 1
194 1 61 PHE H 1 61 PHE HA 3.200 2.600 4.200 2.996 2.996 2.996 . 0 0 "[ ]" 1
195 1 62 ASP H 1 62 ASP HA 3.200 2.600 4.200 2.972 2.972 2.972 . 0 0 "[ ]" 1
196 1 62 ASP H 1 62 ASP QB 0.000 . 3.500 2.656 2.656 2.656 . 0 0 "[ ]" 1
197 1 63 LEU H 1 63 LEU HA 3.200 2.600 4.200 2.965 2.965 2.965 . 0 0 "[ ]" 1
198 1 64 MET H 1 64 MET HA 3.200 2.600 4.200 2.910 2.910 2.910 . 0 0 "[ ]" 1
199 1 64 MET H 1 64 MET QB 0.000 . 3.500 2.205 2.205 2.205 . 0 0 "[ ]" 1
200 1 65 LYS HA 1 65 LYS QG 0.000 . 4.000 2.407 2.407 2.407 . 0 0 "[ ]" 1
201 1 65 LYS H 1 65 LYS HA 3.200 2.600 4.200 2.830 2.830 2.830 . 0 0 "[ ]" 1
202 1 65 LYS H 1 65 LYS QB 0.000 . 3.500 2.169 2.169 2.169 . 0 0 "[ ]" 1
203 1 65 LYS H 1 65 LYS QG 0.000 . 4.800 3.917 3.917 3.917 . 0 0 "[ ]" 1
204 1 66 GLU HA 1 66 GLU QG 0.000 . 3.500 2.417 2.417 2.417 . 0 0 "[ ]" 1
205 1 66 GLU H 1 66 GLU HA 3.200 2.600 4.200 2.894 2.894 2.894 . 0 0 "[ ]" 1
206 1 66 GLU H 1 66 GLU QG 0.000 . 4.800 3.926 3.926 3.926 . 0 0 "[ ]" 1
207 1 67 THR HA 1 67 THR HB 3.200 2.700 4.200 3.038 3.038 3.038 . 0 0 "[ ]" 1
208 1 67 THR HA 1 67 THR MG 0.000 . 3.500 2.314 2.314 2.314 . 0 0 "[ ]" 1
209 1 67 THR H 1 67 THR HA 3.200 2.600 4.200 2.888 2.888 2.888 . 0 0 "[ ]" 1
210 1 67 THR H 1 67 THR HB 0.000 . 2.700 2.431 2.431 2.431 . 0 0 "[ ]" 1
211 1 67 THR H 1 67 THR MG 0.000 . 4.800 3.718 3.718 3.718 . 0 0 "[ ]" 1
212 1 68 LEU H 1 68 LEU HA 3.200 2.600 4.200 2.832 2.832 2.832 . 0 0 "[ ]" 1
213 1 68 LEU H 1 68 LEU HB3 0.000 . 2.700 2.494 2.494 2.494 . 0 0 "[ ]" 1
214 1 68 LEU H 1 68 LEU HB2 0.000 . 2.700 2.258 2.258 2.258 . 0 0 "[ ]" 1
215 1 68 LEU H 1 68 LEU MD1 0.000 . 4.800 3.819 3.819 3.819 . 0 0 "[ ]" 1
216 1 68 LEU H 1 68 LEU MD2 0.000 . 4.800 4.044 4.044 4.044 . 0 0 "[ ]" 1
217 1 69 ARG H 1 69 ARG HA 3.200 2.600 4.200 2.915 2.915 2.915 . 0 0 "[ ]" 1
218 1 69 ARG H 1 69 ARG QB 0.000 . 3.500 2.131 2.131 2.131 . 0 0 "[ ]" 1
219 1 69 ARG H 1 69 ARG QD 0.000 . 4.800 4.301 4.301 4.301 . 0 0 "[ ]" 1
220 1 70 ILE HA 1 70 ILE QG 0.000 . 4.000 2.091 2.091 2.091 . 0 0 "[ ]" 1
221 1 70 ILE HA 1 70 ILE HB 0.000 . 2.700 2.750 2.750 2.750 0.050 1 0 "[ ]" 1
222 1 70 ILE HA 1 70 ILE MG 4.000 3.500 5.000 3.097 3.097 3.097 0.403 1 0 "[ ]" 1
223 1 70 ILE H 1 70 ILE HA 3.200 2.600 4.200 2.834 2.834 2.834 . 0 0 "[ ]" 1
224 1 70 ILE H 1 70 ILE HB 0.000 . 2.700 1.935 1.935 1.935 . 0 0 "[ ]" 1
225 1 70 ILE H 1 70 ILE MD 0.000 . 4.800 3.799 3.799 3.799 . 0 0 "[ ]" 1
226 1 70 ILE H 1 70 ILE QG 0.000 . 4.000 3.579 3.579 3.579 . 0 0 "[ ]" 1
227 1 70 ILE H 1 70 ILE MG 0.000 . 4.800 2.938 2.938 2.938 . 0 0 "[ ]" 1
228 1 71 THR HA 1 71 THR HB 0.000 . 2.700 2.397 2.397 2.397 . 0 0 "[ ]" 1
229 1 71 THR HA 1 71 THR MG 0.000 . 3.500 2.458 2.458 2.458 . 0 0 "[ ]" 1
230 1 71 THR H 1 71 THR HA 3.200 2.600 4.200 2.949 2.949 2.949 . 0 0 "[ ]" 1
231 1 71 THR H 1 71 THR HB 0.000 . 4.000 3.580 3.580 3.580 . 0 0 "[ ]" 1
232 1 71 THR H 1 71 THR MG 0.000 . 4.000 2.180 2.180 2.180 . 0 0 "[ ]" 1
233 1 72 ASN HB3 1 72 ASN HD21 0.000 . 3.200 2.272 2.272 2.272 . 0 0 "[ ]" 1
234 1 72 ASN HB2 1 72 ASN HD21 0.000 . 3.200 3.117 3.117 3.117 . 0 0 "[ ]" 1
235 1 72 ASN H 1 72 ASN HA 3.200 2.600 4.200 2.987 2.987 2.987 . 0 0 "[ ]" 1
236 1 72 ASN H 1 72 ASN HB3 0.000 . 3.200 2.192 2.192 2.192 . 0 0 "[ ]" 1
237 1 72 ASN H 1 72 ASN HB2 0.000 . 3.200 3.185 3.185 3.185 . 0 0 "[ ]" 1
238 1 73 LEU HA 1 73 LEU QD 0.000 . 4.200 2.009 2.009 2.009 . 0 0 "[ ]" 1
239 1 73 LEU H 1 73 LEU HA 3.200 2.600 4.200 2.902 2.902 2.902 . 0 0 "[ ]" 1
240 1 73 LEU H 1 73 LEU QB 0.000 . 3.500 2.242 2.242 2.242 . 0 0 "[ ]" 1
241 1 73 LEU H 1 73 LEU QD 0.000 . 4.700 3.088 3.088 3.088 . 0 0 "[ ]" 1
242 1 73 LEU H 1 73 LEU HG 0.000 . 2.700 2.266 2.266 2.266 . 0 0 "[ ]" 1
243 1 74 GLY H 1 74 GLY HA3 0.000 . 2.700 2.349 2.349 2.349 . 0 0 "[ ]" 1
244 1 74 GLY H 1 74 GLY HA2 0.000 . 2.700 2.756 2.756 2.756 0.056 1 0 "[ ]" 1
245 1 75 ASP H 1 75 ASP HB3 0.000 . 3.200 2.304 2.304 2.304 . 0 0 "[ ]" 1
246 1 75 ASP H 1 75 ASP HB2 0.000 . 4.000 3.515 3.515 3.515 . 0 0 "[ ]" 1
247 1 75 ASP H 1 75 ASP HA 3.200 2.600 4.200 2.852 2.852 2.852 . 0 0 "[ ]" 1
248 1 76 LEU HA 1 76 LEU QD 0.000 . 4.200 1.881 1.881 1.881 . 0 0 "[ ]" 1
249 1 76 LEU HA 1 76 LEU HG 0.000 . 3.200 2.883 2.883 2.883 . 0 0 "[ ]" 1
250 1 76 LEU H 1 76 LEU HA 3.200 2.600 4.200 2.836 2.836 2.836 . 0 0 "[ ]" 1
251 1 76 LEU H 1 76 LEU HB3 0.000 . 4.000 3.535 3.535 3.535 . 0 0 "[ ]" 1
252 1 76 LEU H 1 76 LEU HB2 0.000 . 3.200 2.401 2.401 2.401 . 0 0 "[ ]" 1
253 1 76 LEU H 1 76 LEU QD 0.000 . 4.700 2.982 2.982 2.982 . 0 0 "[ ]" 1
254 1 76 LEU H 1 76 LEU HG 0.000 . 2.700 1.979 1.979 1.979 . 0 0 "[ ]" 1
255 1 77 LYS HA 1 77 LYS QE 0.000 . 5.800 4.488 4.488 4.488 . 0 0 "[ ]" 1
256 1 77 LYS HA 1 77 LYS QG 0.000 . 3.500 2.318 2.318 2.318 . 0 0 "[ ]" 1
257 1 77 LYS H 1 77 LYS HA 3.200 2.600 4.200 2.967 2.967 2.967 . 0 0 "[ ]" 1
258 1 77 LYS H 1 77 LYS QD 0.000 . 5.800 4.462 4.462 4.462 . 0 0 "[ ]" 1
259 1 77 LYS H 1 77 LYS QG 0.000 . 4.000 3.145 3.145 3.145 . 0 0 "[ ]" 1
260 1 78 VAL HA 1 78 VAL HB 3.200 2.700 4.200 3.029 3.029 3.029 . 0 0 "[ ]" 1
261 1 78 VAL HA 1 78 VAL MG1 0.000 . 3.500 2.189 2.189 2.189 . 0 0 "[ ]" 1
262 1 78 VAL HA 1 78 VAL MG2 0.000 . 3.500 2.425 2.425 2.425 . 0 0 "[ ]" 1
263 1 78 VAL H 1 78 VAL HA 3.200 2.600 4.200 2.830 2.830 2.830 . 0 0 "[ ]" 1
264 1 78 VAL H 1 78 VAL HB 0.000 . 2.700 2.601 2.601 2.601 . 0 0 "[ ]" 1
265 1 78 VAL H 1 78 VAL MG1 0.000 . 4.800 3.697 3.697 3.697 . 0 0 "[ ]" 1
266 1 78 VAL H 1 78 VAL MG2 0.000 . 4.000 1.828 1.828 1.828 . 0 0 "[ ]" 1
267 1 80 ASP H 1 80 ASP HA 3.200 2.600 4.200 2.988 2.988 2.988 . 0 0 "[ ]" 1
268 1 80 ASP H 1 80 ASP HB3 0.000 . 2.700 2.590 2.590 2.590 . 0 0 "[ ]" 1
269 1 80 ASP H 1 80 ASP HB2 0.000 . 2.700 2.554 2.554 2.554 . 0 0 "[ ]" 1
270 1 81 TRP HA 1 81 TRP HB3 0.000 . 2.700 2.570 2.570 2.570 . 0 0 "[ ]" 1
271 1 81 TRP HA 1 81 TRP HB2 3.200 2.700 4.200 3.024 3.024 3.024 . 0 0 "[ ]" 1
272 1 81 TRP HA 1 81 TRP HD1 0.000 . 4.000 3.206 3.206 3.206 . 0 0 "[ ]" 1
273 1 81 TRP HB3 1 81 TRP HD1 4.000 3.200 5.000 3.880 3.880 3.880 . 0 0 "[ ]" 1
274 1 81 TRP HB2 1 81 TRP HD1 0.000 . 3.200 2.984 2.984 2.984 . 0 0 "[ ]" 1
275 1 81 TRP H 1 81 TRP HD1 0.000 . 2.700 2.654 2.654 2.654 . 0 0 "[ ]" 1
276 1 81 TRP H 1 81 TRP HA 3.200 2.600 4.200 3.005 3.005 3.005 . 0 0 "[ ]" 1
277 1 81 TRP H 1 81 TRP HB3 0.000 . 4.000 3.658 3.658 3.658 . 0 0 "[ ]" 1
278 1 81 TRP H 1 81 TRP HB2 0.000 . 3.200 2.412 2.412 2.412 . 0 0 "[ ]" 1
279 1 82 VAL H 1 82 VAL HA 3.200 2.600 4.200 2.987 2.987 2.987 . 0 0 "[ ]" 1
280 1 82 VAL H 1 82 VAL HB 0.000 . 4.000 3.267 3.267 3.267 . 0 0 "[ ]" 1
281 1 82 VAL H 1 82 VAL MG1 0.000 . 4.000 1.818 1.818 1.818 . 0 0 "[ ]" 1
282 1 82 VAL H 1 82 VAL MG2 0.000 . 4.800 3.693 3.693 3.693 . 0 0 "[ ]" 1
283 1 82 VAL HA 1 82 VAL MG2 0.000 . 3.500 2.497 2.497 2.497 . 0 0 "[ ]" 1
284 1 83 ASN HB3 1 83 ASN HD21 0.000 . 3.200 2.495 2.495 2.495 . 0 0 "[ ]" 1
285 1 83 ASN H 1 83 ASN HA 3.200 2.600 4.200 2.961 2.961 2.961 . 0 0 "[ ]" 1
286 1 84 VAL HA 1 84 VAL HB 0.000 . 2.700 2.677 2.677 2.677 . 0 0 "[ ]" 1
287 1 84 VAL H 1 84 VAL HA 3.200 2.600 4.200 2.982 2.982 2.982 . 0 0 "[ ]" 1
288 1 84 VAL H 1 84 VAL QG 0.000 . 4.200 1.808 1.808 1.808 . 0 0 "[ ]" 1
289 1 85 GLU H 1 85 GLU HA 3.200 2.600 4.200 3.005 3.005 3.005 . 0 0 "[ ]" 1
290 1 86 ARG H 1 86 ARG HA 3.200 2.600 4.200 2.916 2.916 2.916 . 0 0 "[ ]" 1
291 1 86 ARG H 1 86 ARG QB 0.000 . 3.500 2.387 2.387 2.387 . 0 0 "[ ]" 1
292 1 86 ARG H 1 86 ARG QG 0.000 . 4.800 1.947 1.947 1.947 . 0 0 "[ ]" 1
293 1 87 ALA H 1 87 ALA HA 3.200 2.600 4.200 2.996 2.996 2.996 . 0 0 "[ ]" 1
294 1 87 ALA H 1 87 ALA MB 0.000 . 3.500 2.460 2.460 2.460 . 0 0 "[ ]" 1
295 1 88 ALA H 1 88 ALA HA 3.200 2.600 4.200 3.000 3.000 3.000 . 0 0 "[ ]" 1
296 1 88 ALA H 1 88 ALA MB 0.000 . 3.500 2.455 2.455 2.455 . 0 0 "[ ]" 1
297 1 89 LYS HA 1 89 LYS QG 0.000 . 4.000 2.956 2.956 2.956 . 0 0 "[ ]" 1
298 1 89 LYS H 1 89 LYS HA 3.200 2.600 4.200 2.891 2.891 2.891 . 0 0 "[ ]" 1
299 1 89 LYS H 1 89 LYS QG 0.000 . 4.800 2.006 2.006 2.006 . 0 0 "[ ]" 1
300 1 90 PHE H 1 90 PHE HA 3.200 2.600 4.200 2.972 2.972 2.972 . 0 0 "[ ]" 1
301 1 90 PHE H 1 90 PHE HB3 0.000 . 3.200 3.213 3.213 3.213 0.013 1 0 "[ ]" 1
302 1 90 PHE H 1 90 PHE HB2 0.000 . 4.000 3.877 3.877 3.877 . 0 0 "[ ]" 1
303 1 91 SER H 1 91 SER HA 3.200 2.600 4.200 2.976 2.976 2.976 . 0 0 "[ ]" 1
304 1 91 SER H 1 91 SER QB 0.000 . 3.500 2.611 2.611 2.611 . 0 0 "[ ]" 1
305 1 92 ASP H 1 92 ASP HA 3.200 2.600 4.200 2.872 2.872 2.872 . 0 0 "[ ]" 1
306 1 92 ASP H 1 92 ASP QB 0.000 . 3.500 2.242 2.242 2.242 . 0 0 "[ ]" 1
307 1 93 GLU H 1 93 GLU HA 3.200 2.600 4.200 2.981 2.981 2.981 . 0 0 "[ ]" 1
308 1 93 GLU H 1 93 GLU QB 0.000 . 3.500 2.543 2.543 2.543 . 0 0 "[ ]" 1
309 1 93 GLU H 1 93 GLU QG 0.000 . 4.000 3.103 3.103 3.103 . 0 0 "[ ]" 1
310 1 94 ILE HA 1 94 ILE HG13 3.200 2.700 6.200 3.685 3.685 3.685 . 0 0 "[ ]" 1
311 1 94 ILE HA 1 94 ILE HG12 3.200 2.700 6.200 2.876 2.876 2.876 . 0 0 "[ ]" 1
312 1 94 ILE H 1 94 ILE HA 3.200 2.600 4.200 2.873 2.873 2.873 . 0 0 "[ ]" 1
313 1 94 ILE H 1 94 ILE HB 0.000 . 3.200 2.296 2.296 2.296 . 0 0 "[ ]" 1
314 1 94 ILE H 1 94 ILE QG 0.000 . 4.000 2.178 2.178 2.178 . 0 0 "[ ]" 1
315 1 94 ILE H 1 94 ILE MG 4.000 3.200 5.000 3.692 3.692 3.692 . 0 0 "[ ]" 1
316 1 1 MET HA 1 2 PHE H 0.000 . 2.700 2.241 2.241 2.241 . 0 0 "[ ]" 1
317 1 1 MET QB 1 2 PHE H 0.000 . 4.000 3.117 3.117 3.117 . 0 0 "[ ]" 1
318 1 2 PHE H 1 3 THR H 4.000 3.200 6.000 4.129 4.129 4.129 . 0 0 "[ ]" 1
319 1 2 PHE H 1 3 THR MG 0.000 . 3.500 2.983 2.983 2.983 . 0 0 "[ ]" 1
320 1 2 PHE HA 1 3 THR H 0.000 . 2.700 2.250 2.250 2.250 . 0 0 "[ ]" 1
321 1 2 PHE QB 1 3 THR H 0.000 . 4.000 3.139 3.139 3.139 . 0 0 "[ ]" 1
322 1 3 THR HA 1 4 GLY H 3.200 2.700 4.200 3.543 3.543 3.543 . 0 0 "[ ]" 1
323 1 3 THR MG 1 4 GLY H 0.000 . 4.800 3.802 3.802 3.802 . 0 0 "[ ]" 1
324 1 3 THR H 1 4 GLY H 0.000 . 3.200 1.859 1.859 1.859 . 0 0 "[ ]" 1
325 1 4 GLY H 1 5 ILE H 0.000 . 3.200 2.707 2.707 2.707 . 0 0 "[ ]" 1
326 1 4 GLY QA 1 5 ILE HA 0.000 . 4.800 4.123 4.123 4.123 . 0 0 "[ ]" 1
327 1 4 GLY QA 1 5 ILE H 0.000 . 4.800 2.898 2.898 2.898 . 0 0 "[ ]" 1
328 1 5 ILE H 1 6 VAL H 4.000 3.200 6.000 4.585 4.585 4.585 . 0 0 "[ ]" 1
329 1 6 VAL HA 1 7 GLN QG 0.000 . 4.800 3.727 3.727 3.727 . 0 0 "[ ]" 1
330 1 5 ILE HA 1 6 VAL H 0.000 . 2.700 2.211 2.211 2.211 . 0 0 "[ ]" 1
331 1 6 VAL H 1 7 GLN H 4.000 3.200 6.000 4.589 4.589 4.589 . 0 0 "[ ]" 1
332 1 6 VAL MG1 1 7 GLN HA 0.000 . 4.800 3.955 3.955 3.955 . 0 0 "[ ]" 1
333 1 6 VAL HA 1 7 GLN H 0.000 . 2.700 2.202 2.202 2.202 . 0 0 "[ ]" 1
334 1 7 GLN H 1 8 GLY H 0.000 . 3.200 2.620 2.620 2.620 . 0 0 "[ ]" 1
335 1 7 GLN HA 1 8 GLY H 0.000 . 4.000 3.587 3.587 3.587 . 0 0 "[ ]" 1
336 1 7 GLN QB 1 8 GLY H 0.000 . 4.800 2.773 2.773 2.773 . 0 0 "[ ]" 1
337 1 8 GLY H 1 9 THR H 4.000 3.200 6.000 4.437 4.437 4.437 . 0 0 "[ ]" 1
338 1 8 GLY QA 1 9 THR H 0.000 . 3.500 2.316 2.316 2.316 . 0 0 "[ ]" 1
339 1 9 THR H 1 10 ALA H 4.000 3.200 6.000 4.484 4.484 4.484 . 0 0 "[ ]" 1
340 1 9 THR HA 1 10 ALA H 0.000 . 2.700 2.462 2.462 2.462 . 0 0 "[ ]" 1
341 1 9 THR HB 1 10 ALA H 0.000 . 3.200 2.452 2.452 2.452 . 0 0 "[ ]" 1
342 1 9 THR MG 1 10 ALA H 0.000 . 4.800 3.609 3.609 3.609 . 0 0 "[ ]" 1
343 1 10 ALA HA 1 11 LYS H 0.000 . 2.700 2.296 2.296 2.296 . 0 0 "[ ]" 1
344 1 10 ALA MB 1 11 LYS H 0.000 . 3.500 2.939 2.939 2.939 . 0 0 "[ ]" 1
345 1 10 ALA H 1 11 LYS H 4.000 3.200 6.000 4.429 4.429 4.429 . 0 0 "[ ]" 1
346 1 11 LYS H 1 12 LEU H 4.000 3.200 6.000 4.345 4.345 4.345 . 0 0 "[ ]" 1
347 1 11 LYS HA 1 12 LEU H 0.000 . 2.700 2.218 2.218 2.218 . 0 0 "[ ]" 1
348 1 11 LYS QB 1 12 LEU H 0.000 . 4.800 3.920 3.920 3.920 . 0 0 "[ ]" 1
349 1 12 LEU H 1 13 VAL H 4.000 3.200 6.000 4.535 4.535 4.535 . 0 0 "[ ]" 1
350 1 12 LEU HA 1 13 VAL MG1 0.000 . 4.000 3.376 3.376 3.376 . 0 0 "[ ]" 1
351 1 13 VAL MG1 1 14 SER QB 0.000 . 5.600 2.754 2.754 2.754 . 0 0 "[ ]" 1
352 1 12 LEU HA 1 13 VAL H 0.000 . 2.700 2.187 2.187 2.187 . 0 0 "[ ]" 1
353 1 12 LEU HB3 1 13 VAL H 0.000 . 4.000 4.046 4.046 4.046 0.046 1 0 "[ ]" 1
354 1 12 LEU HB2 1 13 VAL H 0.000 . 5.000 4.459 4.459 4.459 . 0 0 "[ ]" 1
355 1 12 LEU QD 1 13 VAL H 0.000 . 5.500 2.743 2.743 2.743 . 0 0 "[ ]" 1
356 1 13 VAL MG2 1 14 SER QB 0.000 . 4.800 2.447 2.447 2.447 . 0 0 "[ ]" 1
357 1 13 VAL MG1 1 14 SER HB3 0.000 . 4.800 3.713 3.713 3.713 . 0 0 "[ ]" 1
358 1 13 VAL MG1 1 14 SER HB2 0.000 . 4.800 2.839 2.839 2.839 . 0 0 "[ ]" 1
359 1 13 VAL HA 1 14 SER H 3.200 2.700 4.200 3.519 3.519 3.519 . 0 0 "[ ]" 1
360 1 13 VAL HB 1 14 SER H 0.000 . 4.000 4.068 4.068 4.068 0.068 1 0 "[ ]" 1
361 1 13 VAL MG1 1 14 SER H 0.000 . 4.000 1.852 1.852 1.852 . 0 0 "[ ]" 1
362 1 13 VAL MG2 1 14 SER H 0.000 . 4.000 3.332 3.332 3.332 . 0 0 "[ ]" 1
363 1 13 VAL H 1 14 SER H 0.000 . 2.700 1.861 1.861 1.861 . 0 0 "[ ]" 1
364 1 14 SER HA 1 15 ILE H 0.000 . 2.700 2.253 2.253 2.253 . 0 0 "[ ]" 1
365 1 14 SER QB 1 15 ILE H 0.000 . 4.000 3.479 3.479 3.479 . 0 0 "[ ]" 1
366 1 14 SER H 1 15 ILE H 4.000 3.200 6.000 4.389 4.389 4.389 . 0 0 "[ ]" 1
367 1 15 ILE MG 1 16 ASP HA 0.000 . 4.800 4.027 4.027 4.027 . 0 0 "[ ]" 1
368 1 15 ILE H 1 16 ASP HA 0.000 . 5.000 5.000 5.000 5.000 . 0 0 "[ ]" 1
369 1 15 ILE HA 1 16 ASP H 0.000 . 2.700 2.189 2.189 2.189 . 0 0 "[ ]" 1
370 1 15 ILE QG 1 16 ASP H 0.000 . 4.800 4.302 4.302 4.302 . 0 0 "[ ]" 1
371 1 15 ILE MG 1 16 ASP H 0.000 . 4.000 2.602 2.602 2.602 . 0 0 "[ ]" 1
372 1 15 ILE H 1 16 ASP H 4.000 3.200 6.000 4.446 4.446 4.446 . 0 0 "[ ]" 1
373 1 16 ASP HA 1 17 GLU H 0.000 . 2.700 2.217 2.217 2.217 . 0 0 "[ ]" 1
374 1 16 ASP QB 1 17 GLU H 0.000 . 4.000 3.571 3.571 3.571 . 0 0 "[ ]" 1
375 1 16 ASP H 1 17 GLU H 4.000 3.200 6.000 4.266 4.266 4.266 . 0 0 "[ ]" 1
376 1 17 GLU H 1 18 LYS QG 0.000 . 4.800 3.997 3.997 3.997 . 0 0 "[ ]" 1
377 1 18 LYS HB3 1 19 PRO QD 0.000 . 4.000 2.984 2.984 2.984 . 0 0 "[ ]" 1
378 1 18 LYS QD 1 19 PRO QD 0.000 . 5.600 4.197 4.197 4.197 . 0 0 "[ ]" 1
379 1 17 GLU HA 1 18 LYS H 0.000 . 2.700 2.223 2.223 2.223 . 0 0 "[ ]" 1
380 1 17 GLU QB 1 18 LYS H 0.000 . 4.800 3.953 3.953 3.953 . 0 0 "[ ]" 1
381 1 17 GLU QG 1 18 LYS H 0.000 . 4.800 3.177 3.177 3.177 . 0 0 "[ ]" 1
382 1 17 GLU H 1 18 LYS H 4.000 3.200 6.000 4.369 4.369 4.369 . 0 0 "[ ]" 1
383 1 18 LYS H 1 19 PRO QD 0.000 . 5.800 4.223 4.223 4.223 . 0 0 "[ ]" 1
384 1 20 ASN HD22 1 21 PHE H 0.000 . 5.000 5.021 5.021 5.021 0.021 1 0 "[ ]" 1
385 1 19 PRO HA 1 20 ASN H 3.200 2.700 4.200 3.484 3.484 3.484 . 0 0 "[ ]" 1
386 1 20 ASN H 1 21 PHE H 0.000 . 2.700 2.410 2.410 2.410 . 0 0 "[ ]" 1
387 1 20 ASN HA 1 21 PHE H 3.000 3.000 4.000 3.562 3.562 3.562 . 0 0 "[ ]" 1
388 1 20 ASN QB 1 21 PHE H 0.000 . 4.800 2.422 2.422 2.422 . 0 0 "[ ]" 1
389 1 21 PHE HA 1 22 ARG H 0.000 . 2.700 2.329 2.329 2.329 . 0 0 "[ ]" 1
390 1 21 PHE HB2 1 22 ARG H 0.000 . 4.000 3.932 3.932 3.932 . 0 0 "[ ]" 1
391 1 21 PHE HB3 1 22 ARG H 0.000 . 3.200 2.983 2.983 2.983 . 0 0 "[ ]" 1
392 1 21 PHE QD 1 22 ARG H 0.000 . 5.200 4.080 4.080 4.080 . 0 0 "[ ]" 1
393 1 21 PHE H 1 22 ARG H 4.000 3.200 6.000 4.363 4.363 4.363 . 0 0 "[ ]" 1
394 1 22 ARG HA 1 23 THR HB 0.000 . 5.000 4.346 4.346 4.346 . 0 0 "[ ]" 1
395 1 23 THR HB 1 24 HIS H 0.000 . 5.000 4.166 4.166 4.166 . 0 0 "[ ]" 1
396 1 22 ARG HA 1 23 THR H 0.000 . 2.700 2.233 2.233 2.233 . 0 0 "[ ]" 1
397 1 22 ARG QB 1 23 THR H 0.000 . 4.000 3.598 3.598 3.598 . 0 0 "[ ]" 1
398 1 22 ARG QG 1 23 THR H 0.000 . 4.800 2.396 2.396 2.396 . 0 0 "[ ]" 1
399 1 22 ARG H 1 23 THR H 4.000 3.200 6.000 4.579 4.579 4.579 . 0 0 "[ ]" 1
400 1 23 THR MG 1 24 HIS HA 0.000 . 4.800 3.713 3.713 3.713 . 0 0 "[ ]" 1
401 1 24 HIS HA 1 25 VAL MG2 0.000 . 4.000 3.206 3.206 3.206 . 0 0 "[ ]" 1
402 1 24 HIS HD2 1 25 VAL H 0.000 . 4.000 2.855 2.855 2.855 . 0 0 "[ ]" 1
403 1 23 THR HA 1 24 HIS H 0.000 . 2.700 2.270 2.270 2.270 . 0 0 "[ ]" 1
404 1 23 THR MG 1 24 HIS H 0.000 . 3.500 2.305 2.305 2.305 . 0 0 "[ ]" 1
405 1 23 THR H 1 24 HIS H 4.000 3.200 6.000 4.421 4.421 4.421 . 0 0 "[ ]" 1
406 1 24 HIS HA 1 25 VAL H 0.000 . 2.700 2.240 2.240 2.240 . 0 0 "[ ]" 1
407 1 24 HIS HB3 1 25 VAL H 0.000 . 4.000 3.357 3.357 3.357 . 0 0 "[ ]" 1
408 1 24 HIS HB2 1 25 VAL H 0.000 . 5.000 4.402 4.402 4.402 . 0 0 "[ ]" 1
409 1 24 HIS H 1 25 VAL H 4.000 3.200 6.000 4.437 4.437 4.437 . 0 0 "[ ]" 1
410 1 26 VAL HA 1 27 GLU H 0.000 . 2.700 2.492 2.492 2.492 . 0 0 "[ ]" 1
411 1 26 VAL HB 1 27 GLU H 0.000 . 2.700 2.560 2.560 2.560 . 0 0 "[ ]" 1
412 1 26 VAL MG2 1 27 GLU H 0.000 . 4.800 3.213 3.213 3.213 . 0 0 "[ ]" 1
413 1 25 VAL HA 1 26 VAL H 0.000 . 2.700 2.166 2.166 2.166 . 0 0 "[ ]" 1
414 1 25 VAL HB 1 26 VAL H 0.000 . 4.000 4.026 4.026 4.026 0.026 1 0 "[ ]" 1
415 1 25 VAL H 1 26 VAL H 4.000 3.200 6.000 4.419 4.419 4.419 . 0 0 "[ ]" 1
416 1 26 VAL H 1 27 GLU H 4.000 3.200 6.000 4.513 4.513 4.513 . 0 0 "[ ]" 1
417 1 27 GLU H 1 28 LEU H 4.000 3.200 6.000 4.338 4.338 4.338 . 0 0 "[ ]" 1
418 1 28 LEU HA 1 29 PRO HD3 0.000 . 2.700 2.276 2.276 2.276 . 0 0 "[ ]" 1
419 1 28 LEU HA 1 29 PRO HD2 0.000 . 2.700 2.086 2.086 2.086 . 0 0 "[ ]" 1
420 1 28 LEU HB3 1 29 PRO QD 0.000 . 4.800 3.799 3.799 3.799 . 0 0 "[ ]" 1
421 1 28 LEU HB2 1 29 PRO QD 0.000 . 4.800 3.989 3.989 3.989 . 0 0 "[ ]" 1
422 1 28 LEU QD 1 29 PRO HD3 0.000 . 4.700 3.021 3.021 3.021 . 0 0 "[ ]" 1
423 1 28 LEU QD 1 29 PRO HD2 0.000 . 4.700 1.927 1.927 1.927 . 0 0 "[ ]" 1
424 1 27 GLU HA 1 28 LEU H 0.000 . 2.700 2.209 2.209 2.209 . 0 0 "[ ]" 1
425 1 27 GLU HB3 1 28 LEU H 0.000 . 4.000 4.078 4.078 4.078 0.078 1 0 "[ ]" 1
426 1 27 GLU HB2 1 28 LEU H 0.000 . 5.000 4.595 4.595 4.595 . 0 0 "[ ]" 1
427 1 28 LEU H 1 29 PRO QD 0.000 . 5.800 4.302 4.302 4.302 . 0 0 "[ ]" 1
428 1 29 PRO HA 1 30 ASP H 0.000 . 2.700 2.527 2.527 2.527 . 0 0 "[ ]" 1
429 1 29 PRO HB3 1 30 ASP H 0.000 . 4.000 3.354 3.354 3.354 . 0 0 "[ ]" 1
430 1 29 PRO HB2 1 30 ASP H 0.000 . 3.200 2.460 2.460 2.460 . 0 0 "[ ]" 1
431 1 29 PRO QG 1 30 ASP H 0.000 . 5.800 4.096 4.096 4.096 . 0 0 "[ ]" 1
432 1 30 ASP H 1 31 HIS H 0.000 . 3.200 2.866 2.866 2.866 . 0 0 "[ ]" 1
433 1 30 ASP HA 1 31 HIS H 3.200 2.700 4.200 3.581 3.581 3.581 . 0 0 "[ ]" 1
434 1 30 ASP QB 1 31 HIS H 0.000 . 4.800 2.523 2.523 2.523 . 0 0 "[ ]" 1
435 1 31 HIS H 1 32 MET H 0.000 . 3.200 2.548 2.548 2.548 . 0 0 "[ ]" 1
436 1 31 HIS HA 1 32 MET H 3.200 2.700 4.200 3.299 3.299 3.299 . 0 0 "[ ]" 1
437 1 31 HIS HB3 1 32 MET H 0.000 . 5.000 4.318 4.318 4.318 . 0 0 "[ ]" 1
438 1 31 HIS HB2 1 32 MET H 0.000 . 5.000 4.350 4.350 4.350 . 0 0 "[ ]" 1
439 1 32 MET HA 1 33 LEU H 3.200 2.700 4.200 3.435 3.435 3.435 . 0 0 "[ ]" 1
440 1 32 MET QB 1 33 LEU H 0.000 . 4.800 3.010 3.010 3.010 . 0 0 "[ ]" 1
441 1 32 MET H 1 33 LEU H 0.000 . 2.700 1.874 1.874 1.874 . 0 0 "[ ]" 1
442 1 33 LEU H 1 34 ASP QB 0.000 . 4.800 4.282 4.282 4.282 . 0 0 "[ ]" 1
443 1 33 LEU HA 1 34 ASP H 3.200 2.700 4.200 3.541 3.541 3.541 . 0 0 "[ ]" 1
444 1 33 LEU QB 1 34 ASP H 0.000 . 4.000 2.671 2.671 2.671 . 0 0 "[ ]" 1
445 1 33 LEU QD 1 34 ASP H 0.000 . 6.500 4.122 4.122 4.122 . 0 0 "[ ]" 1
446 1 33 LEU H 1 34 ASP H 0.000 . 2.700 2.549 2.549 2.549 . 0 0 "[ ]" 1
447 1 35 GLY HA3 1 36 LEU H 3.200 2.700 4.200 2.696 2.696 2.696 0.004 1 0 "[ ]" 1
448 1 35 GLY HA2 1 36 LEU H 3.200 2.700 4.200 3.598 3.598 3.598 . 0 0 "[ ]" 1
449 1 34 ASP HA 1 35 GLY H 0.000 . 2.700 2.234 2.234 2.234 . 0 0 "[ ]" 1
450 1 34 ASP H 1 35 GLY H 4.000 3.200 6.000 4.394 4.394 4.394 . 0 0 "[ ]" 1
451 1 35 GLY H 1 36 LEU H 4.000 3.200 6.000 3.180 3.180 3.180 0.020 1 0 "[ ]" 1
452 1 36 LEU HA 1 37 GLU H 0.000 . 2.700 2.278 2.278 2.278 . 0 0 "[ ]" 1
453 1 36 LEU HB3 1 37 GLU H 0.000 . 4.000 3.874 3.874 3.874 . 0 0 "[ ]" 1
454 1 36 LEU HG 1 37 GLU H 0.000 . 3.200 2.428 2.428 2.428 . 0 0 "[ ]" 1
455 1 37 GLU HA 1 38 THR H 0.000 . 2.700 2.472 2.472 2.472 . 0 0 "[ ]" 1
456 1 37 GLU QB 1 38 THR H 0.000 . 4.000 2.607 2.607 2.607 . 0 0 "[ ]" 1
457 1 37 GLU QG 1 38 THR H 0.000 . 4.000 3.324 3.324 3.324 . 0 0 "[ ]" 1
458 1 37 GLU H 1 38 THR H 4.000 3.200 6.000 4.450 4.450 4.450 . 0 0 "[ ]" 1
459 1 38 THR HA 1 39 GLY H 0.000 . 2.700 2.357 2.357 2.357 . 0 0 "[ ]" 1
460 1 38 THR HB 1 39 GLY H 0.000 . 4.000 3.017 3.017 3.017 . 0 0 "[ ]" 1
461 1 38 THR MG 1 39 GLY H 0.000 . 4.800 3.170 3.170 3.170 . 0 0 "[ ]" 1
462 1 38 THR H 1 39 GLY H 4.000 3.200 6.000 4.683 4.683 4.683 . 0 0 "[ ]" 1
463 1 39 GLY H 1 40 ALA H 0.000 . 3.200 2.564 2.564 2.564 . 0 0 "[ ]" 1
464 1 39 GLY QA 1 40 ALA H 0.000 . 4.000 2.938 2.938 2.938 . 0 0 "[ ]" 1
465 1 40 ALA HA 1 41 SER H 0.000 . 2.700 2.441 2.441 2.441 . 0 0 "[ ]" 1
466 1 40 ALA MB 1 41 SER H 0.000 . 3.500 2.675 2.675 2.675 . 0 0 "[ ]" 1
467 1 40 ALA H 1 41 SER H 4.000 3.200 6.000 4.673 4.673 4.673 . 0 0 "[ ]" 1
468 1 41 SER H 1 42 VAL H 4.000 3.200 6.000 4.320 4.320 4.320 . 0 0 "[ ]" 1
469 1 41 SER HA 1 42 VAL H 0.000 . 2.700 2.203 2.203 2.203 . 0 0 "[ ]" 1
470 1 41 SER HB3 1 42 VAL H 0.000 . 5.000 4.234 4.234 4.234 . 0 0 "[ ]" 1
471 1 41 SER HB2 1 42 VAL H 0.000 . 4.000 3.816 3.816 3.816 . 0 0 "[ ]" 1
472 1 42 VAL HA 1 43 ALA H 0.000 . 2.700 2.198 2.198 2.198 . 0 0 "[ ]" 1
473 1 42 VAL H 1 43 ALA H 4.000 3.200 6.000 4.434 4.434 4.434 . 0 0 "[ ]" 1
474 1 43 ALA HA 1 44 HIS HD1 0.000 . 4.000 3.850 3.850 3.850 . 0 0 "[ ]" 1
475 1 43 ALA HA 1 44 HIS H 0.000 . 2.700 2.208 2.208 2.208 . 0 0 "[ ]" 1
476 1 43 ALA MB 1 44 HIS H 0.000 . 4.000 3.340 3.340 3.340 . 0 0 "[ ]" 1
477 1 43 ALA H 1 44 HIS H 4.000 3.200 6.000 4.400 4.400 4.400 . 0 0 "[ ]" 1
478 1 44 HIS H 1 45 ASN H 4.000 3.200 6.000 4.264 4.264 4.264 . 0 0 "[ ]" 1
479 1 44 HIS HA 1 45 ASN H 0.000 . 2.700 2.171 2.171 2.171 . 0 0 "[ ]" 1
480 1 45 ASN H 1 46 GLY H 0.000 . 4.000 2.690 2.690 2.690 . 0 0 "[ ]" 1
481 1 45 ASN HA 1 46 GLY H 3.200 2.700 4.200 3.166 3.166 3.166 . 0 0 "[ ]" 1
482 1 45 ASN HB3 1 46 GLY H 4.000 3.200 5.000 3.881 3.881 3.881 . 0 0 "[ ]" 1
483 1 45 ASN HB2 1 46 GLY H 3.200 2.700 5.000 4.268 4.268 4.268 . 0 0 "[ ]" 1
484 1 46 GLY H 1 47 CYS H 0.000 . 3.200 2.256 2.256 2.256 . 0 0 "[ ]" 1
485 1 47 CYS H 1 48 CYS H 4.000 3.200 6.000 4.301 4.301 4.301 . 0 0 "[ ]" 1
486 1 47 CYS HA 1 48 CYS H 0.000 . 2.700 2.226 2.226 2.226 . 0 0 "[ ]" 1
487 1 47 CYS QB 1 48 CYS H 0.000 . 5.800 3.950 3.950 3.950 . 0 0 "[ ]" 1
488 1 48 CYS H 1 49 LEU H 4.000 3.200 6.000 4.552 4.552 4.552 . 0 0 "[ ]" 1
489 1 48 CYS HA 1 49 LEU H 0.000 . 2.700 2.172 2.172 2.172 . 0 0 "[ ]" 1
490 1 48 CYS HB3 1 49 LEU H 0.000 . 5.000 4.313 4.313 4.313 . 0 0 "[ ]" 1
491 1 48 CYS HB2 1 49 LEU H 0.000 . 5.000 3.481 3.481 3.481 . 0 0 "[ ]" 1
492 1 49 LEU H 1 50 THR H 4.000 3.200 6.000 4.439 4.439 4.439 . 0 0 "[ ]" 1
493 1 49 LEU HA 1 50 THR H 0.000 . 2.700 2.522 2.522 2.522 . 0 0 "[ ]" 1
494 1 49 LEU QB 1 50 THR H 0.000 . 4.000 2.436 2.436 2.436 . 0 0 "[ ]" 1
495 1 49 LEU MD1 1 50 THR H 0.000 . 4.800 4.021 4.021 4.021 . 0 0 "[ ]" 1
496 1 50 THR H 1 51 VAL H 4.000 3.200 6.000 4.598 4.598 4.598 . 0 0 "[ ]" 1
497 1 50 THR HA 1 51 VAL MG2 0.000 . 4.800 3.320 3.320 3.320 . 0 0 "[ ]" 1
498 1 50 THR HA 1 51 VAL H 0.000 . 2.700 2.288 2.288 2.288 . 0 0 "[ ]" 1
499 1 50 THR MG 1 51 VAL H 0.000 . 4.000 2.201 2.201 2.201 . 0 0 "[ ]" 1
500 1 51 VAL H 1 52 THR H 4.000 3.200 6.000 4.433 4.433 4.433 . 0 0 "[ ]" 1
501 1 51 VAL HA 1 52 THR H 0.000 . 2.700 2.230 2.230 2.230 . 0 0 "[ ]" 1
502 1 51 VAL HB 1 52 THR H 0.000 . 5.000 4.336 4.336 4.336 . 0 0 "[ ]" 1
503 1 51 VAL MG1 1 52 THR H 0.000 . 4.000 3.167 3.167 3.167 . 0 0 "[ ]" 1
504 1 52 THR HA 1 53 GLU H 3.200 2.700 4.200 3.561 3.561 3.561 . 0 0 "[ ]" 1
505 1 52 THR HB 1 53 GLU H 0.000 . 4.000 3.718 3.718 3.718 . 0 0 "[ ]" 1
506 1 52 THR MG 1 53 GLU H 0.000 . 4.800 3.629 3.629 3.629 . 0 0 "[ ]" 1
507 1 52 THR H 1 53 GLU H 0.000 . 2.700 2.545 2.545 2.545 . 0 0 "[ ]" 1
508 1 53 GLU HA 1 54 ILE H 0.000 . 2.700 2.305 2.305 2.305 . 0 0 "[ ]" 1
509 1 53 GLU QB 1 54 ILE H 0.000 . 4.000 3.553 3.553 3.553 . 0 0 "[ ]" 1
510 1 53 GLU QG 1 54 ILE H 0.000 . 4.000 2.254 2.254 2.254 . 0 0 "[ ]" 1
511 1 53 GLU H 1 54 ILE H 4.000 3.200 6.000 4.351 4.351 4.351 . 0 0 "[ ]" 1
512 1 54 ILE HA 1 55 ASN H 0.000 . 2.700 2.162 2.162 2.162 . 0 0 "[ ]" 1
513 1 54 ILE HB 1 55 ASN H 0.000 . 5.000 4.261 4.261 4.261 . 0 0 "[ ]" 1
514 1 54 ILE QG 1 55 ASN H 0.000 . 4.800 4.055 4.055 4.055 . 0 0 "[ ]" 1
515 1 54 ILE MG 1 55 ASN H 0.000 . 3.500 2.679 2.679 2.679 . 0 0 "[ ]" 1
516 1 54 ILE H 1 55 ASN H 4.000 3.200 6.000 4.432 4.432 4.432 . 0 0 "[ ]" 1
517 1 55 ASN HA 1 56 GLY H 0.000 . 2.700 2.564 2.564 2.564 . 0 0 "[ ]" 1
518 1 55 ASN H 1 56 GLY H 4.000 3.200 6.000 3.478 3.478 3.478 . 0 0 "[ ]" 1
519 1 56 GLY H 1 57 ASN H 4.000 3.200 6.000 4.437 4.437 4.437 . 0 0 "[ ]" 1
520 1 56 GLY QA 1 57 ASN H 0.000 . 3.500 2.175 2.175 2.175 . 0 0 "[ ]" 1
521 1 58 HIS HD2 1 59 VAL H 0.000 . 5.000 3.569 3.569 3.569 . 0 0 "[ ]" 1
522 1 57 ASN HA 1 58 HIS H 3.200 2.700 4.200 3.473 3.473 3.473 . 0 0 "[ ]" 1
523 1 57 ASN HB2 1 58 HIS H 0.000 . 5.000 4.372 4.372 4.372 . 0 0 "[ ]" 1
524 1 57 ASN H 1 58 HIS H 0.000 . 2.700 2.350 2.350 2.350 . 0 0 "[ ]" 1
525 1 58 HIS H 1 59 VAL H 4.000 3.200 6.000 4.665 4.665 4.665 . 0 0 "[ ]" 1
526 1 58 HIS HA 1 59 VAL MG2 0.000 . 4.800 3.532 3.532 3.532 . 0 0 "[ ]" 1
527 1 58 HIS HA 1 59 VAL H 0.000 . 2.700 2.375 2.375 2.375 . 0 0 "[ ]" 1
528 1 58 HIS HB3 1 59 VAL H 0.000 . 4.000 2.737 2.737 2.737 . 0 0 "[ ]" 1
529 1 58 HIS HB2 1 59 VAL H 0.000 . 4.000 4.002 4.002 4.002 0.002 1 0 "[ ]" 1
530 1 59 VAL HA 1 60 SER H 0.000 . 2.700 2.168 2.168 2.168 . 0 0 "[ ]" 1
531 1 59 VAL MG1 1 60 SER H 0.000 . 4.000 2.978 2.978 2.978 . 0 0 "[ ]" 1
532 1 59 VAL H 1 60 SER H 4.000 3.200 6.000 4.108 4.108 4.108 . 0 0 "[ ]" 1
533 1 60 SER HA 1 61 PHE H 0.000 . 2.700 2.263 2.263 2.263 . 0 0 "[ ]" 1
534 1 60 SER QB 1 61 PHE H 0.000 . 4.000 3.345 3.345 3.345 . 0 0 "[ ]" 1
535 1 60 SER H 1 61 PHE H 4.000 3.200 6.000 4.552 4.552 4.552 . 0 0 "[ ]" 1
536 1 62 ASP HA 1 63 LEU HB3 0.000 . 5.000 5.095 5.095 5.095 0.095 1 0 "[ ]" 1
537 1 62 ASP HA 1 63 LEU HB2 0.000 . 4.000 3.689 3.689 3.689 . 0 0 "[ ]" 1
538 1 62 ASP HA 1 63 LEU QD 0.000 . 5.500 4.101 4.101 4.101 . 0 0 "[ ]" 1
539 1 61 PHE HA 1 62 ASP H 0.000 . 2.700 2.411 2.411 2.411 . 0 0 "[ ]" 1
540 1 61 PHE QB 1 62 ASP H 0.000 . 4.800 2.670 2.670 2.670 . 0 0 "[ ]" 1
541 1 61 PHE H 1 62 ASP H 4.000 3.200 6.000 4.554 4.554 4.554 . 0 0 "[ ]" 1
542 1 62 ASP H 1 63 LEU H 4.000 3.200 6.000 4.602 4.602 4.602 . 0 0 "[ ]" 1
543 1 62 ASP HA 1 63 LEU H 0.000 . 2.700 2.210 2.210 2.210 . 0 0 "[ ]" 1
544 1 62 ASP QB 1 63 LEU H 0.000 . 4.800 2.880 2.880 2.880 . 0 0 "[ ]" 1
545 1 63 LEU H 1 64 MET H 4.000 3.200 6.000 4.009 4.009 4.009 . 0 0 "[ ]" 1
546 1 63 LEU HA 1 64 MET H 0.000 . 2.700 2.266 2.266 2.266 . 0 0 "[ ]" 1
547 1 63 LEU QB 1 64 MET H 0.000 . 4.800 3.740 3.740 3.740 . 0 0 "[ ]" 1
548 1 63 LEU QD 1 64 MET H 0.000 . 5.500 3.886 3.886 3.886 . 0 0 "[ ]" 1
549 1 64 MET H 1 65 LYS H 4.000 3.200 6.000 4.650 4.650 4.650 . 0 0 "[ ]" 1
550 1 64 MET HA 1 65 LYS H 0.000 . 2.700 2.261 2.261 2.261 . 0 0 "[ ]" 1
551 1 64 MET QB 1 65 LYS H 0.000 . 4.800 3.692 3.692 3.692 . 0 0 "[ ]" 1
552 1 65 LYS QG 1 66 GLU HA 0.000 . 4.000 3.582 3.582 3.582 . 0 0 "[ ]" 1
553 1 65 LYS HA 1 66 GLU H 3.200 2.700 4.200 3.576 3.576 3.576 . 0 0 "[ ]" 1
554 1 65 LYS QB 1 66 GLU H 0.000 . 3.500 2.445 2.445 2.445 . 0 0 "[ ]" 1
555 1 65 LYS H 1 66 GLU H 0.000 . 3.200 2.806 2.806 2.806 . 0 0 "[ ]" 1
556 1 66 GLU H 1 67 THR H 0.000 . 3.200 2.601 2.601 2.601 . 0 0 "[ ]" 1
557 1 66 GLU HA 1 67 THR H 3.200 2.700 4.200 3.566 3.566 3.566 . 0 0 "[ ]" 1
558 1 66 GLU QB 1 67 THR H 0.000 . 4.000 2.520 2.520 2.520 . 0 0 "[ ]" 1
559 1 66 GLU QG 1 67 THR H 0.000 . 4.000 3.557 3.557 3.557 . 0 0 "[ ]" 1
560 1 67 THR H 1 68 LEU H 0.000 . 2.700 2.575 2.575 2.575 . 0 0 "[ ]" 1
561 1 67 THR HA 1 68 LEU H 3.200 2.700 4.200 3.538 3.538 3.538 . 0 0 "[ ]" 1
562 1 67 THR HB 1 68 LEU H 0.000 . 2.700 2.639 2.639 2.639 . 0 0 "[ ]" 1
563 1 67 THR MG 1 68 LEU H 0.000 . 4.800 3.550 3.550 3.550 . 0 0 "[ ]" 1
564 1 68 LEU HA 1 69 ARG H 3.200 2.700 4.200 3.573 3.573 3.573 . 0 0 "[ ]" 1
565 1 68 LEU HB3 1 69 ARG H 0.000 . 4.000 2.394 2.394 2.394 . 0 0 "[ ]" 1
566 1 68 LEU HG 1 69 ARG H 0.000 . 4.000 3.836 3.836 3.836 . 0 0 "[ ]" 1
567 1 68 LEU H 1 69 ARG H 0.000 . 2.700 2.715 2.715 2.715 0.015 1 0 "[ ]" 1
568 1 70 ILE HB 1 71 THR H 0.000 . 3.200 3.263 3.263 3.263 0.063 1 0 "[ ]" 1
569 1 69 ARG HA 1 70 ILE H 3.200 2.700 4.200 3.568 3.568 3.568 . 0 0 "[ ]" 1
570 1 69 ARG QB 1 70 ILE H 0.000 . 4.000 2.542 2.542 2.542 . 0 0 "[ ]" 1
571 1 69 ARG H 1 70 ILE H 0.000 . 2.700 2.567 2.567 2.567 . 0 0 "[ ]" 1
572 1 70 ILE H 1 71 THR MG 0.000 . 4.800 4.012 4.012 4.012 . 0 0 "[ ]" 1
573 1 70 ILE HA 1 71 THR H 3.200 2.700 4.200 3.521 3.521 3.521 . 0 0 "[ ]" 1
574 1 70 ILE QG 1 71 THR H 0.000 . 4.800 4.225 4.225 4.225 . 0 0 "[ ]" 1
575 1 70 ILE MG 1 71 THR H 0.000 . 4.800 2.052 2.052 2.052 . 0 0 "[ ]" 1
576 1 70 ILE H 1 71 THR H 0.000 . 2.700 2.667 2.667 2.667 . 0 0 "[ ]" 1
577 1 71 THR H 1 72 ASN H 4.000 3.200 6.000 4.458 4.458 4.458 . 0 0 "[ ]" 1
578 1 71 THR HA 1 72 ASN H 3.200 2.700 4.200 2.649 2.649 2.649 0.051 1 0 "[ ]" 1
579 1 71 THR HB 1 72 ASN H 0.000 . 3.200 2.307 2.307 2.307 . 0 0 "[ ]" 1
580 1 71 THR MG 1 72 ASN H 0.000 . 4.800 3.850 3.850 3.850 . 0 0 "[ ]" 1
581 1 72 ASN H 1 73 LEU QD 0.000 . 5.500 3.899 3.899 3.899 . 0 0 "[ ]" 1
582 1 72 ASN H 1 73 LEU HG 0.000 . 4.000 3.300 3.300 3.300 . 0 0 "[ ]" 1
583 1 72 ASN HA 1 73 LEU H 3.200 2.700 4.200 3.073 3.073 3.073 . 0 0 "[ ]" 1
584 1 72 ASN HB3 1 73 LEU H 0.000 . 4.000 3.999 3.999 3.999 . 0 0 "[ ]" 1
585 1 72 ASN HB2 1 73 LEU H 0.000 . 5.000 4.641 4.641 4.641 . 0 0 "[ ]" 1
586 1 72 ASN H 1 73 LEU H 0.000 . 3.200 2.513 2.513 2.513 . 0 0 "[ ]" 1
587 1 74 GLY HA3 1 75 ASP H 3.200 2.700 4.200 3.049 3.049 3.049 . 0 0 "[ ]" 1
588 1 74 GLY HA2 1 75 ASP H 3.200 2.700 4.200 3.484 3.484 3.484 . 0 0 "[ ]" 1
589 1 73 LEU HA 1 74 GLY H 3.200 2.700 4.200 3.580 3.580 3.580 . 0 0 "[ ]" 1
590 1 73 LEU QB 1 74 GLY H 0.000 . 4.800 2.526 2.526 2.526 . 0 0 "[ ]" 1
591 1 73 LEU H 1 74 GLY H 0.000 . 3.200 2.600 2.600 2.600 . 0 0 "[ ]" 1
592 1 74 GLY H 1 75 ASP H 0.000 . 3.200 2.885 2.885 2.885 . 0 0 "[ ]" 1
593 1 75 ASP H 1 76 LEU H 0.000 . 2.700 2.688 2.688 2.688 . 0 0 "[ ]" 1
594 1 76 LEU HB3 1 77 LYS H 0.000 . 3.200 3.051 3.051 3.051 . 0 0 "[ ]" 1
595 1 76 LEU HB2 1 77 LYS H 0.000 . 4.000 4.054 4.054 4.054 0.054 1 0 "[ ]" 1
596 1 75 ASP HA 1 76 LEU H 3.200 2.700 4.200 3.472 3.472 3.472 . 0 0 "[ ]" 1
597 1 75 ASP HB3 1 76 LEU H 0.000 . 4.000 4.016 4.016 4.016 0.016 1 0 "[ ]" 1
598 1 75 ASP HB2 1 76 LEU H 0.000 . 5.000 4.099 4.099 4.099 . 0 0 "[ ]" 1
599 1 76 LEU H 1 77 LYS H 4.000 3.200 6.000 4.644 4.644 4.644 . 0 0 "[ ]" 1
600 1 76 LEU HA 1 77 LYS H 0.000 . 2.700 2.222 2.222 2.222 . 0 0 "[ ]" 1
601 1 76 LEU QD 1 77 LYS H 0.000 . 4.200 3.125 3.125 3.125 . 0 0 "[ ]" 1
602 1 77 LYS H 1 78 VAL H 4.000 3.200 6.000 4.299 4.299 4.299 . 0 0 "[ ]" 1
603 1 78 VAL MG1 1 79 GLY QA 0.000 . 4.300 3.233 3.233 3.233 . 0 0 "[ ]" 1
604 1 78 VAL MG1 1 79 GLY H 0.000 . 3.500 2.159 2.159 2.159 . 0 0 "[ ]" 1
605 1 78 VAL MG2 1 79 GLY H 0.000 . 4.800 3.994 3.994 3.994 . 0 0 "[ ]" 1
606 1 77 LYS HA 1 78 VAL H 0.000 . 2.700 2.258 2.258 2.258 . 0 0 "[ ]" 1
607 1 77 LYS QB 1 78 VAL H 0.000 . 3.500 3.122 3.122 3.122 . 0 0 "[ ]" 1
608 1 77 LYS QD 1 78 VAL H 0.000 . 5.800 5.128 5.128 5.128 . 0 0 "[ ]" 1
609 1 77 LYS QG 1 78 VAL H 0.000 . 4.800 4.030 4.030 4.030 . 0 0 "[ ]" 1
610 1 78 VAL H 1 79 GLY H 4.000 3.200 6.000 4.674 4.674 4.674 . 0 0 "[ ]" 1
611 1 78 VAL HA 1 79 GLY H 0.000 . 2.700 2.316 2.316 2.316 . 0 0 "[ ]" 1
612 1 78 VAL HB 1 79 GLY H 4.000 3.200 5.000 3.753 3.753 3.753 . 0 0 "[ ]" 1
613 1 80 ASP HB3 1 81 TRP H 0.000 . 4.000 3.383 3.383 3.383 . 0 0 "[ ]" 1
614 1 80 ASP HB2 1 81 TRP H 0.000 . 4.000 4.004 4.004 4.004 0.004 1 0 "[ ]" 1
615 1 79 GLY HA3 1 80 ASP H 3.200 2.700 4.200 3.142 3.142 3.142 . 0 0 "[ ]" 1
616 1 79 GLY HA2 1 80 ASP H 3.200 2.700 4.200 3.418 3.418 3.418 . 0 0 "[ ]" 1
617 1 79 GLY H 1 80 ASP H 0.000 . 2.700 2.545 2.545 2.545 . 0 0 "[ ]" 1
618 1 80 ASP HA 1 81 TRP H 0.000 . 2.700 2.505 2.505 2.505 . 0 0 "[ ]" 1
619 1 80 ASP H 1 81 TRP H 4.000 3.200 6.000 4.564 4.564 4.564 . 0 0 "[ ]" 1
620 1 81 TRP H 1 82 VAL H 4.000 3.200 6.000 4.509 4.509 4.509 . 0 0 "[ ]" 1
621 1 81 TRP HA 1 82 VAL MG1 0.000 . 4.800 3.313 3.313 3.313 . 0 0 "[ ]" 1
622 1 81 TRP HA 1 82 VAL H 0.000 . 2.700 2.455 2.455 2.455 . 0 0 "[ ]" 1
623 1 81 TRP HB3 1 82 VAL H 0.000 . 4.000 2.488 2.488 2.488 . 0 0 "[ ]" 1
624 1 81 TRP HB2 1 82 VAL H 0.000 . 5.000 3.748 3.748 3.748 . 0 0 "[ ]" 1
625 1 82 VAL H 1 83 ASN H 4.000 3.200 6.000 4.449 4.449 4.449 . 0 0 "[ ]" 1
626 1 82 VAL HA 1 83 ASN H 0.000 . 2.700 2.308 2.308 2.308 . 0 0 "[ ]" 1
627 1 83 ASN H 1 84 VAL H 4.000 3.200 6.000 4.311 4.311 4.311 . 0 0 "[ ]" 1
628 1 83 ASN HA 1 84 VAL MG2 0.000 . 4.800 3.426 3.426 3.426 . 0 0 "[ ]" 1
629 1 83 ASN HA 1 84 VAL H 0.000 . 2.700 2.257 2.257 2.257 . 0 0 "[ ]" 1
630 1 83 ASN HB3 1 84 VAL H 0.000 . 4.000 3.991 3.991 3.991 . 0 0 "[ ]" 1
631 1 83 ASN HB2 1 84 VAL H 0.000 . 5.000 4.647 4.647 4.647 . 0 0 "[ ]" 1
632 1 84 VAL H 1 85 GLU H 4.000 3.200 6.000 4.527 4.527 4.527 . 0 0 "[ ]" 1
633 1 84 VAL HA 1 85 GLU H 0.000 . 2.700 2.170 2.170 2.170 . 0 0 "[ ]" 1
634 1 84 VAL HB 1 85 GLU H 0.000 . 3.200 3.183 3.183 3.183 . 0 0 "[ ]" 1
635 1 84 VAL MG1 1 85 GLU H 0.000 . 4.000 3.363 3.363 3.363 . 0 0 "[ ]" 1
636 1 85 GLU H 1 86 ARG H 4.000 3.200 6.000 4.419 4.419 4.419 . 0 0 "[ ]" 1
637 1 85 GLU HA 1 86 ARG H 0.000 . 2.700 2.262 2.262 2.262 . 0 0 "[ ]" 1
638 1 86 ARG H 1 87 ALA H 4.000 3.200 6.000 4.597 4.597 4.597 . 0 0 "[ ]" 1
639 1 87 ALA MB 1 88 ALA H 0.000 . 3.500 2.946 2.946 2.946 . 0 0 "[ ]" 1
640 1 86 ARG HA 1 87 ALA H 0.000 . 4.000 2.212 2.212 2.212 . 0 0 "[ ]" 1
641 1 86 ARG QB 1 87 ALA H 0.000 . 5.800 3.280 3.280 3.280 . 0 0 "[ ]" 1
642 1 86 ARG QG 1 87 ALA H 0.000 . 5.800 3.936 3.936 3.936 . 0 0 "[ ]" 1
643 1 87 ALA H 1 88 ALA H 4.000 3.200 6.000 4.441 4.441 4.441 . 0 0 "[ ]" 1
644 1 88 ALA HA 1 89 LYS QD 0.000 . 4.800 4.281 4.281 4.281 . 0 0 "[ ]" 1
645 1 87 ALA HA 1 88 ALA H 0.000 . 2.700 2.257 2.257 2.257 . 0 0 "[ ]" 1
646 1 88 ALA HA 1 89 LYS H 0.000 . 3.200 2.267 2.267 2.267 . 0 0 "[ ]" 1
647 1 88 ALA MB 1 89 LYS H 0.000 . 4.800 3.026 3.026 3.026 . 0 0 "[ ]" 1
648 1 89 LYS HA 1 90 PHE H 0.000 . 4.000 3.562 3.562 3.562 . 0 0 "[ ]" 1
649 1 90 PHE HA 1 91 SER H 0.000 . 2.700 2.393 2.393 2.393 . 0 0 "[ ]" 1
650 1 90 PHE HB3 1 91 SER H 0.000 . 4.000 4.008 4.008 4.008 0.008 1 0 "[ ]" 1
651 1 90 PHE HB2 1 91 SER H 0.000 . 3.200 2.752 2.752 2.752 . 0 0 "[ ]" 1
652 1 91 SER HA 1 92 ASP H 0.000 . 2.700 2.381 2.381 2.381 . 0 0 "[ ]" 1
653 1 91 SER QB 1 92 ASP H 0.000 . 4.000 3.427 3.427 3.427 . 0 0 "[ ]" 1
654 1 91 SER H 1 92 ASP H 4.000 3.200 6.000 4.436 4.436 4.436 . 0 0 "[ ]" 1
655 1 92 ASP HA 1 93 GLU H 3.200 2.700 4.200 3.563 3.563 3.563 . 0 0 "[ ]" 1
656 1 92 ASP QB 1 93 GLU H 0.000 . 3.500 2.603 2.603 2.603 . 0 0 "[ ]" 1
657 1 92 ASP H 1 93 GLU H 0.000 . 2.700 2.668 2.668 2.668 . 0 0 "[ ]" 1
658 1 93 GLU H 1 94 ILE H 0.000 . 3.200 3.284 3.284 3.284 0.084 1 0 "[ ]" 1
659 1 93 GLU HA 1 94 ILE H 0.000 . 2.700 2.495 2.495 2.495 . 0 0 "[ ]" 1
660 1 93 GLU QB 1 94 ILE H 0.000 . 5.800 3.909 3.909 3.909 . 0 0 "[ ]" 1
661 1 93 GLU QG 1 94 ILE H 0.000 . 5.800 4.427 4.427 4.427 . 0 0 "[ ]" 1
662 1 94 ILE H 1 95 GLY H 0.000 . 2.700 2.703 2.703 2.703 0.003 1 0 "[ ]" 1
663 1 94 ILE HA 1 95 GLY H 3.200 2.700 4.200 3.576 3.576 3.576 . 0 0 "[ ]" 1
664 1 95 GLY H 1 96 GLY H 4.000 3.200 6.000 3.339 3.339 3.339 . 0 0 "[ ]" 1
665 1 38 THR H 1 40 ALA H 0.000 . 5.000 4.596 4.596 4.596 . 0 0 "[ ]" 1
666 1 3 THR HB 1 5 ILE MD 0.000 . 4.000 1.885 1.885 1.885 . 0 0 "[ ]" 1
667 1 3 THR HB 1 5 ILE QG 0.000 . 4.000 1.862 1.862 1.862 . 0 0 "[ ]" 1
668 1 3 THR HB 1 5 ILE MG 0.000 . 4.800 4.010 4.010 4.010 . 0 0 "[ ]" 1
669 1 3 THR HB 1 5 ILE H 0.000 . 4.000 2.614 2.614 2.614 . 0 0 "[ ]" 1
670 1 2 PHE QB 1 4 GLY H 0.000 . 4.800 4.297 4.297 4.297 . 0 0 "[ ]" 1
671 1 2 PHE QD 1 4 GLY H 0.000 . 5.500 4.260 4.260 4.260 . 0 0 "[ ]" 1
672 1 3 THR MG 1 5 ILE H 0.000 . 4.800 4.054 4.054 4.054 . 0 0 "[ ]" 1
673 1 3 THR H 1 5 ILE H 0.000 . 4.000 4.055 4.055 4.055 0.055 1 0 "[ ]" 1
674 1 6 VAL HA 1 8 GLY H 0.000 . 4.000 3.962 3.962 3.962 . 0 0 "[ ]" 1
675 1 6 VAL MG1 1 8 GLY H 0.000 . 3.500 1.842 1.842 1.842 . 0 0 "[ ]" 1
676 1 6 VAL MG2 1 8 GLY H 0.000 . 4.800 4.031 4.031 4.031 . 0 0 "[ ]" 1
677 1 11 LYS QE 1 13 VAL HA 0.000 . 4.000 3.452 3.452 3.452 . 0 0 "[ ]" 1
678 1 12 LEU QD 1 15 ILE MD 0.000 . 5.200 3.117 3.117 3.117 . 0 0 "[ ]" 1
679 1 11 LYS QE 1 13 VAL MG1 0.000 . 5.600 4.159 4.159 4.159 . 0 0 "[ ]" 1
680 1 12 LEU HA 1 14 SER H 0.000 . 4.000 3.818 3.818 3.818 . 0 0 "[ ]" 1
681 1 12 LEU QD 1 14 SER H 0.000 . 4.700 3.230 3.230 3.230 . 0 0 "[ ]" 1
682 1 12 LEU HG 1 14 SER H 0.000 . 4.000 3.790 3.790 3.790 . 0 0 "[ ]" 1
683 1 15 ILE MG 1 17 GLU H 0.000 . 4.800 3.993 3.993 3.993 . 0 0 "[ ]" 1
684 1 18 LYS H 1 22 ARG HA 0.000 . 3.200 2.377 2.377 2.377 . 0 0 "[ ]" 1
685 1 18 LYS HB3 1 20 ASN HD22 0.000 . 5.800 3.923 3.923 3.923 . 0 0 "[ ]" 1
686 1 18 LYS QB 1 21 PHE H 0.000 . 4.000 1.902 1.902 1.902 . 0 0 "[ ]" 1
687 1 18 LYS QD 1 21 PHE H 0.000 . 5.800 4.899 4.899 4.899 . 0 0 "[ ]" 1
688 1 18 LYS QE 1 21 PHE H 0.000 . 5.800 3.728 3.728 3.728 . 0 0 "[ ]" 1
689 1 18 LYS QG 1 21 PHE H 0.000 . 4.800 3.800 3.800 3.800 . 0 0 "[ ]" 1
690 1 18 LYS H 1 21 PHE H 0.000 . 4.000 3.820 3.820 3.820 . 0 0 "[ ]" 1
691 1 19 PRO QD 1 21 PHE H 0.000 . 5.800 4.484 4.484 4.484 . 0 0 "[ ]" 1
692 1 17 GLU HA 1 22 ARG HA 0.000 . 2.700 2.701 2.701 2.701 0.001 1 0 "[ ]" 1
693 1 18 LYS QG 1 22 ARG HA 0.000 . 4.800 3.654 3.654 3.654 . 0 0 "[ ]" 1
694 1 17 GLU HA 1 22 ARG QB 0.000 . 4.800 4.203 4.203 4.203 . 0 0 "[ ]" 1
695 1 17 GLU QG 1 22 ARG QD 0.000 . 5.600 4.327 4.327 4.327 . 0 0 "[ ]" 1
696 1 22 ARG HE 1 24 HIS HD2 0.000 . 5.000 4.816 4.816 4.816 . 0 0 "[ ]" 1
697 1 18 LYS QG 1 22 ARG H 0.000 . 5.800 5.186 5.186 5.186 . 0 0 "[ ]" 1
698 1 18 LYS H 1 23 THR H 0.000 . 5.000 3.482 3.482 3.482 . 0 0 "[ ]" 1
699 1 28 LEU QD 1 33 LEU H 0.000 . 6.500 3.517 3.517 3.517 . 0 0 "[ ]" 1
700 1 26 VAL MG2 1 28 LEU H 0.000 . 4.800 3.843 3.843 3.843 . 0 0 "[ ]" 1
701 1 30 ASP HA 1 33 LEU QD 0.000 . 4.700 2.241 2.241 2.241 . 0 0 "[ ]" 1
702 1 30 ASP HA 1 33 LEU H 0.000 . 4.000 3.609 3.609 3.609 . 0 0 "[ ]" 1
703 1 30 ASP QB 1 33 LEU QD 0.000 . 6.300 3.622 3.622 3.622 . 0 0 "[ ]" 1
704 1 30 ASP H 1 33 LEU QD 0.000 . 4.700 3.391 3.391 3.391 . 0 0 "[ ]" 1
705 1 30 ASP H 1 33 LEU H 0.000 . 5.000 4.781 4.781 4.781 . 0 0 "[ ]" 1
706 1 29 PRO QD 1 31 HIS H 0.000 . 5.800 5.178 5.178 5.178 . 0 0 "[ ]" 1
707 1 29 PRO QG 1 31 HIS H 0.000 . 4.800 3.628 3.628 3.628 . 0 0 "[ ]" 1
708 1 29 PRO QD 1 32 MET H 0.000 . 4.800 3.841 3.841 3.841 . 0 0 "[ ]" 1
709 1 29 PRO QG 1 32 MET H 0.000 . 4.800 2.894 2.894 2.894 . 0 0 "[ ]" 1
710 1 30 ASP HA 1 32 MET H 0.000 . 4.000 4.005 4.005 4.005 0.005 1 0 "[ ]" 1
711 1 28 LEU QD 1 33 LEU HA 0.000 . 4.200 1.843 1.843 1.843 . 0 0 "[ ]" 1
712 1 31 HIS HA 1 33 LEU H 0.000 . 4.000 3.999 3.999 3.999 . 0 0 "[ ]" 1
713 1 31 HIS HA 1 34 ASP H 0.000 . 4.000 3.775 3.775 3.775 . 0 0 "[ ]" 1
714 1 37 GLU H 1 40 ALA MB 0.000 . 3.500 2.433 2.433 2.433 . 0 0 "[ ]" 1
715 1 36 LEU HA 1 40 ALA MB 0.000 . 4.800 3.649 3.649 3.649 . 0 0 "[ ]" 1
716 1 36 LEU QD 1 40 ALA MB 0.000 . 5.000 2.686 2.686 2.686 . 0 0 "[ ]" 1
717 1 36 LEU QD 1 40 ALA H 0.000 . 5.500 4.088 4.088 4.088 . 0 0 "[ ]" 1
718 1 38 THR HA 1 40 ALA H 0.000 . 4.000 3.020 3.020 3.020 . 0 0 "[ ]" 1
719 1 42 VAL HB 1 44 HIS HD1 0.000 . 4.000 4.065 4.065 4.065 0.065 1 0 "[ ]" 1
720 1 42 VAL MG1 1 44 HIS HD1 0.000 . 4.000 1.695 1.695 1.695 . 0 0 "[ ]" 1
721 1 42 VAL MG2 1 44 HIS HD1 0.000 . 4.800 4.092 4.092 4.092 . 0 0 "[ ]" 1
722 1 44 HIS HD1 1 49 LEU MD2 0.000 . 5.800 3.049 3.049 3.049 . 0 0 "[ ]" 1
723 1 44 HIS H 1 48 CYS HA 0.000 . 4.000 3.783 3.783 3.783 . 0 0 "[ ]" 1
724 1 44 HIS H 1 49 LEU MD2 0.000 . 4.800 2.215 2.215 2.215 . 0 0 "[ ]" 1
725 1 43 ALA MB 1 46 GLY H 0.000 . 4.800 2.606 2.606 2.606 . 0 0 "[ ]" 1
726 1 43 ALA MB 1 46 GLY HA3 0.000 . 5.800 3.537 3.537 3.537 . 0 0 "[ ]" 1
727 1 43 ALA MB 1 46 GLY HA2 0.000 . 5.800 2.072 2.072 2.072 . 0 0 "[ ]" 1
728 1 44 HIS QB 1 47 CYS H 0.000 . 4.800 3.550 3.550 3.550 . 0 0 "[ ]" 1
729 1 44 HIS H 1 47 CYS H 0.000 . 3.200 2.708 2.708 2.708 . 0 0 "[ ]" 1
730 1 47 CYS H 1 49 LEU MD2 0.000 . 4.800 4.038 4.038 4.038 . 0 0 "[ ]" 1
731 1 43 ALA HA 1 48 CYS HA 0.000 . 2.700 1.994 1.994 1.994 . 0 0 "[ ]" 1
732 1 43 ALA MB 1 48 CYS HA 0.000 . 4.800 2.880 2.880 2.880 . 0 0 "[ ]" 1
733 1 51 VAL MG1 1 53 GLU H 0.000 . 4.000 2.735 2.735 2.735 . 0 0 "[ ]" 1
734 1 51 VAL MG1 1 54 ILE MD 0.000 . 5.600 2.859 2.859 2.859 . 0 0 "[ ]" 1
735 1 51 VAL MG1 1 54 ILE QG 0.000 . 5.600 2.223 2.223 2.223 . 0 0 "[ ]" 1
736 1 51 VAL HA 1 53 GLU H 0.000 . 4.000 3.747 3.747 3.747 . 0 0 "[ ]" 1
737 1 54 ILE HA 1 58 HIS HB3 0.000 . 5.000 5.009 5.009 5.009 0.009 1 0 "[ ]" 1
738 1 54 ILE HA 1 58 HIS HB2 0.000 . 5.000 5.094 5.094 5.094 0.094 1 0 "[ ]" 1
739 1 54 ILE HA 1 59 VAL HA 0.000 . 3.200 1.980 1.980 1.980 . 0 0 "[ ]" 1
740 1 53 GLU QB 1 55 ASN HD21 0.000 . 4.800 4.213 4.213 4.213 . 0 0 "[ ]" 1
741 1 53 GLU QG 1 55 ASN HD21 0.000 . 4.800 4.047 4.047 4.047 . 0 0 "[ ]" 1
742 1 55 ASN HD21 1 58 HIS QB 0.000 . 4.800 3.174 3.174 3.174 . 0 0 "[ ]" 1
743 1 53 GLU QB 1 55 ASN HD22 0.000 . 4.000 3.547 3.547 3.547 . 0 0 "[ ]" 1
744 1 53 GLU QG 1 55 ASN HD22 0.000 . 4.000 3.571 3.571 3.571 . 0 0 "[ ]" 1
745 1 55 ASN H 1 58 HIS HB2 0.000 . 4.000 3.078 3.078 3.078 . 0 0 "[ ]" 1
746 1 55 ASN H 1 58 HIS H 0.000 . 4.000 3.759 3.759 3.759 . 0 0 "[ ]" 1
747 1 55 ASN H 1 59 VAL HA 0.000 . 3.200 2.806 2.806 2.806 . 0 0 "[ ]" 1
748 1 55 ASN H 1 59 VAL MG2 0.000 . 4.000 3.390 3.390 3.390 . 0 0 "[ ]" 1
749 1 55 ASN H 1 60 SER H 0.000 . 4.000 3.821 3.821 3.821 . 0 0 "[ ]" 1
750 1 54 ILE QG 1 56 GLY H 0.000 . 5.800 5.226 5.226 5.226 . 0 0 "[ ]" 1
751 1 54 ILE MG 1 56 GLY H 0.000 . 4.000 2.189 2.189 2.189 . 0 0 "[ ]" 1
752 1 55 ASN HB2 1 58 HIS HB3 0.000 . 4.000 2.308 2.308 2.308 . 0 0 "[ ]" 1
753 1 55 ASN HB3 1 58 HIS HB2 0.000 . 4.000 2.711 2.711 2.711 . 0 0 "[ ]" 1
754 1 55 ASN HB2 1 58 HIS HB2 0.000 . 3.200 1.869 1.869 1.869 . 0 0 "[ ]" 1
755 1 54 ILE MG 1 58 HIS H 0.000 . 4.800 3.984 3.984 3.984 . 0 0 "[ ]" 1
756 1 55 ASN HA 1 58 HIS H 0.000 . 5.000 4.985 4.985 4.985 . 0 0 "[ ]" 1
757 1 55 ASN QB 1 58 HIS H 0.000 . 4.800 3.430 3.430 3.430 . 0 0 "[ ]" 1
758 1 56 GLY QA 1 58 HIS H 0.000 . 4.800 3.404 3.404 3.404 . 0 0 "[ ]" 1
759 1 54 ILE HA 1 59 VAL MG1 0.000 . 4.000 3.204 3.204 3.204 . 0 0 "[ ]" 1
760 1 54 ILE HA 1 59 VAL MG2 0.000 . 4.000 2.668 2.668 2.668 . 0 0 "[ ]" 1
761 1 63 LEU QD 1 68 LEU QD 0.000 . 5.700 1.568 1.568 1.568 . 0 0 "[ ]" 1
762 1 64 MET H 1 67 THR HB 0.000 . 4.000 2.676 2.676 2.676 . 0 0 "[ ]" 1
763 1 65 LYS HA 1 68 LEU QB 0.000 . 4.800 2.334 2.334 2.334 . 0 0 "[ ]" 1
764 1 65 LYS HA 1 68 LEU QD 0.000 . 5.500 2.527 2.527 2.527 . 0 0 "[ ]" 1
765 1 65 LYS H 1 68 LEU QB 0.000 . 4.800 4.310 4.310 4.310 . 0 0 "[ ]" 1
766 1 66 GLU HA 1 69 ARG H 0.000 . 3.200 3.266 3.266 3.266 0.066 1 0 "[ ]" 1
767 1 66 GLU H 1 68 LEU H 0.000 . 4.000 3.814 3.814 3.814 . 0 0 "[ ]" 1
768 1 67 THR HA 1 70 ILE HB 0.000 . 4.000 2.229 2.229 2.229 . 0 0 "[ ]" 1
769 1 64 MET QB 1 67 THR H 0.000 . 4.800 2.274 2.274 2.274 . 0 0 "[ ]" 1
770 1 64 MET QG 1 67 THR H 0.000 . 4.800 2.617 2.617 2.617 . 0 0 "[ ]" 1
771 1 65 LYS HA 1 68 LEU HB3 0.000 . 4.000 2.614 2.614 2.614 . 0 0 "[ ]" 1
772 1 65 LYS HA 1 68 LEU HB2 0.000 . 3.200 2.627 2.627 2.627 . 0 0 "[ ]" 1
773 1 68 LEU QD 1 73 LEU QB 0.000 . 6.300 1.839 1.839 1.839 . 0 0 "[ ]" 1
774 1 65 LYS HA 1 68 LEU H 0.000 . 4.000 3.344 3.344 3.344 . 0 0 "[ ]" 1
775 1 66 GLU HA 1 69 ARG HB3 0.000 . 4.000 2.805 2.805 2.805 . 0 0 "[ ]" 1
776 1 66 GLU HA 1 69 ARG HB2 0.000 . 4.000 3.823 3.823 3.823 . 0 0 "[ ]" 1
777 1 66 GLU QG 1 70 ILE MD 0.000 . 4.000 2.790 2.790 2.790 . 0 0 "[ ]" 1
778 1 67 THR HA 1 70 ILE MD 0.000 . 4.000 2.912 2.912 2.912 . 0 0 "[ ]" 1
779 1 67 THR HA 1 70 ILE H 0.000 . 4.000 3.095 3.095 3.095 . 0 0 "[ ]" 1
780 1 68 LEU HA 1 71 THR HB 0.000 . 5.000 5.005 5.005 5.005 0.005 1 0 "[ ]" 1
781 1 71 THR HB 1 73 LEU QD 0.000 . 5.500 3.103 3.103 3.103 . 0 0 "[ ]" 1
782 1 71 THR HB 1 73 LEU HG 0.000 . 4.000 2.420 2.420 2.420 . 0 0 "[ ]" 1
783 1 71 THR MG 1 73 LEU HG 0.000 . 4.000 3.355 3.355 3.355 . 0 0 "[ ]" 1
784 1 67 THR HA 1 71 THR H 0.000 . 5.000 3.612 3.612 3.612 . 0 0 "[ ]" 1
785 1 67 THR MG 1 71 THR H 0.000 . 5.800 3.602 3.602 3.602 . 0 0 "[ ]" 1
786 1 68 LEU HA 1 71 THR H 0.000 . 4.000 3.778 3.778 3.778 . 0 0 "[ ]" 1
787 1 69 ARG QB 1 71 THR H 0.000 . 5.800 4.760 4.760 4.760 . 0 0 "[ ]" 1
788 1 71 THR H 1 73 LEU H 0.000 . 4.000 4.028 4.028 4.028 0.028 1 0 "[ ]" 1
789 1 68 LEU HA 1 73 LEU H 0.000 . 4.000 3.733 3.733 3.733 . 0 0 "[ ]" 1
790 1 68 LEU QD 1 73 LEU H 0.000 . 5.500 3.693 3.693 3.693 . 0 0 "[ ]" 1
791 1 71 THR HA 1 73 LEU H 0.000 . 4.000 4.033 4.033 4.033 0.033 1 0 "[ ]" 1
792 1 71 THR HB 1 73 LEU H 0.000 . 3.200 2.885 2.885 2.885 . 0 0 "[ ]" 1
793 1 69 ARG H 1 74 GLY H 0.000 . 5.000 5.050 5.050 5.050 0.050 1 0 "[ ]" 1
794 1 72 ASN HA 1 74 GLY H 0.000 . 4.000 3.736 3.736 3.736 . 0 0 "[ ]" 1
795 1 74 GLY H 1 76 LEU QD 0.000 . 6.500 4.722 4.722 4.722 . 0 0 "[ ]" 1
796 1 74 GLY H 1 76 LEU H 0.000 . 5.000 4.476 4.476 4.476 . 0 0 "[ ]" 1
797 1 72 ASN HA 1 75 ASP H 0.000 . 4.000 3.789 3.789 3.789 . 0 0 "[ ]" 1
798 1 72 ASN QB 1 75 ASP H 0.000 . 5.800 4.944 4.944 4.944 . 0 0 "[ ]" 1
799 1 73 LEU HA 1 75 ASP H 0.000 . 4.000 3.625 3.625 3.625 . 0 0 "[ ]" 1
800 1 73 LEU HA 1 76 LEU QD 0.000 . 4.200 2.656 2.656 2.656 . 0 0 "[ ]" 1
801 1 73 LEU HA 1 76 LEU HG 0.000 . 3.200 2.894 2.894 2.894 . 0 0 "[ ]" 1
802 1 73 LEU HA 1 76 LEU H 0.000 . 4.000 3.752 3.752 3.752 . 0 0 "[ ]" 1
803 1 74 GLY QA 1 76 LEU H 0.000 . 5.800 3.563 3.563 3.563 . 0 0 "[ ]" 1
804 1 77 LYS H 1 80 ASP HB3 0.000 . 4.000 2.949 2.949 2.949 . 0 0 "[ ]" 1
805 1 77 LYS H 1 80 ASP HB2 0.000 . 4.000 3.685 3.685 3.685 . 0 0 "[ ]" 1
806 1 77 LYS H 1 80 ASP H 0.000 . 5.000 4.460 4.460 4.460 . 0 0 "[ ]" 1
807 1 78 VAL HA 1 80 ASP QB 0.000 . 4.800 4.183 4.183 4.183 . 0 0 "[ ]" 1
808 1 77 LYS QB 1 80 ASP H 0.000 . 4.800 4.281 4.281 4.281 . 0 0 "[ ]" 1
809 1 78 VAL HA 1 80 ASP H 0.000 . 4.000 2.961 2.961 2.961 . 0 0 "[ ]" 1
810 1 78 VAL MG1 1 80 ASP H 0.000 . 4.800 4.030 4.030 4.030 . 0 0 "[ ]" 1
811 1 82 VAL HB 1 84 VAL MG1 0.000 . 4.800 4.016 4.016 4.016 . 0 0 "[ ]" 1
812 1 82 VAL MG1 1 84 VAL MG1 0.000 . 4.300 1.892 1.892 1.892 . 0 0 "[ ]" 1
813 1 82 VAL MG2 1 84 VAL MG1 0.000 . 4.800 1.847 1.847 1.847 . 0 0 "[ ]" 1
814 1 82 VAL MG1 1 84 VAL H 0.000 . 4.800 4.021 4.021 4.021 . 0 0 "[ ]" 1
815 1 88 ALA MB 1 90 PHE H 0.000 . 4.800 3.179 3.179 3.179 . 0 0 "[ ]" 1
816 1 91 SER QB 1 93 GLU H 0.000 . 4.000 3.415 3.415 3.415 . 0 0 "[ ]" 1
817 1 94 ILE MG 1 96 GLY H 0.000 . 4.000 2.228 2.228 2.228 . 0 0 "[ ]" 1
818 1 38 THR HB 1 51 VAL HB 0.000 . 4.000 4.026 4.026 4.026 0.026 1 0 "[ ]" 1
819 1 38 THR HB 1 54 ILE MD 0.000 . 4.000 3.371 3.371 3.371 . 0 0 "[ ]" 1
820 1 7 GLN QB 1 86 ARG H 0.000 . 4.800 3.704 3.704 3.704 . 0 0 "[ ]" 1
821 1 7 GLN H 1 85 GLU HA 0.000 . 4.000 3.167 3.167 3.167 . 0 0 "[ ]" 1
822 1 8 GLY QA 1 29 PRO QG 0.000 . 6.600 3.350 3.350 3.350 . 0 0 "[ ]" 1
823 1 8 GLY H 1 84 VAL MG2 0.000 . 4.800 3.672 3.672 3.672 . 0 0 "[ ]" 1
824 1 8 GLY H 1 84 VAL H 0.000 . 4.000 3.937 3.937 3.937 . 0 0 "[ ]" 1
825 1 9 THR HB 1 81 TRP HB3 0.000 . 3.200 2.978 2.978 2.978 . 0 0 "[ ]" 1
826 1 9 THR HB 1 81 TRP HB2 0.000 . 5.000 4.393 4.393 4.393 . 0 0 "[ ]" 1
827 1 9 THR H 1 29 PRO QD 0.000 . 4.800 3.984 3.984 3.984 . 0 0 "[ ]" 1
828 1 9 THR H 1 29 PRO HG3 0.000 . 5.000 2.535 2.535 2.535 . 0 0 "[ ]" 1
829 1 9 THR H 1 29 PRO HG2 0.000 . 5.000 3.731 3.731 3.731 . 0 0 "[ ]" 1
830 1 9 THR H 1 84 VAL MG2 0.000 . 4.800 3.136 3.136 3.136 . 0 0 "[ ]" 1
831 1 10 ALA HA 1 27 GLU H 0.000 . 4.000 4.070 4.070 4.070 0.070 1 0 "[ ]" 1
832 1 10 ALA HA 1 28 LEU HA 0.000 . 4.000 3.351 3.351 3.351 . 0 0 "[ ]" 1
833 1 10 ALA HA 1 29 PRO HD3 0.000 . 5.000 2.466 2.466 2.466 . 0 0 "[ ]" 1
834 1 10 ALA HA 1 29 PRO HD2 0.000 . 5.000 3.791 3.791 3.791 . 0 0 "[ ]" 1
835 1 10 ALA HA 1 82 VAL MG1 0.000 . 4.800 3.501 3.501 3.501 . 0 0 "[ ]" 1
836 1 10 ALA MB 1 26 VAL HB 0.000 . 3.500 1.919 1.919 1.919 . 0 0 "[ ]" 1
837 1 10 ALA H 1 81 TRP HB3 0.000 . 4.000 3.363 3.363 3.363 . 0 0 "[ ]" 1
838 1 10 ALA H 1 81 TRP HB2 0.000 . 5.000 5.038 5.038 5.038 0.038 1 0 "[ ]" 1
839 1 10 ALA H 1 82 VAL HB 0.000 . 5.000 4.696 4.696 4.696 . 0 0 "[ ]" 1
840 1 10 ALA H 1 83 ASN HA 0.000 . 4.000 4.035 4.035 4.035 0.035 1 0 "[ ]" 1
841 1 10 ALA H 1 84 VAL MG1 0.000 . 4.800 3.479 3.479 3.479 . 0 0 "[ ]" 1
842 1 10 ALA H 1 84 VAL MG2 0.000 . 4.000 2.425 2.425 2.425 . 0 0 "[ ]" 1
843 1 10 ALA H 1 84 VAL H 0.000 . 4.000 3.717 3.717 3.717 . 0 0 "[ ]" 1
844 1 11 LYS HA 1 81 TRP HA 0.000 . 2.700 2.010 2.010 2.010 . 0 0 "[ ]" 1
845 1 11 LYS HB3 1 27 GLU HB3 0.000 . 2.700 1.863 1.863 1.863 . 0 0 "[ ]" 1
846 1 11 LYS HB3 1 81 TRP HA 0.000 . 5.000 5.033 5.033 5.033 0.033 1 0 "[ ]" 1
847 1 11 LYS HB2 1 81 TRP HA 0.000 . 5.000 4.275 4.275 4.275 . 0 0 "[ ]" 1
848 1 11 LYS QE 1 79 GLY QA 0.000 . 4.200 3.321 3.321 3.321 . 0 0 "[ ]" 1
849 1 11 LYS H 1 27 GLU HB3 0.000 . 4.000 2.745 2.745 2.745 . 0 0 "[ ]" 1
850 1 11 LYS H 1 27 GLU HB2 0.000 . 4.000 3.464 3.464 3.464 . 0 0 "[ ]" 1
851 1 11 LYS H 1 27 GLU QG 0.000 . 5.800 4.591 4.591 4.591 . 0 0 "[ ]" 1
852 1 12 LEU QD 1 24 HIS HA 0.000 . 5.500 3.677 3.677 3.677 . 0 0 "[ ]" 1
853 1 12 LEU QD 1 24 HIS HB3 0.000 . 5.500 2.652 2.652 2.652 . 0 0 "[ ]" 1
854 1 12 LEU QD 1 76 LEU HA 0.000 . 4.700 3.498 3.498 3.498 . 0 0 "[ ]" 1
855 1 12 LEU QD 1 76 LEU HB3 0.000 . 4.700 2.182 2.182 2.182 . 0 0 "[ ]" 1
856 1 12 LEU QD 1 76 LEU HB2 0.000 . 4.700 3.290 3.290 3.290 . 0 0 "[ ]" 1
857 1 12 LEU QD 1 77 LYS HA 0.000 . 6.500 2.577 2.577 2.577 . 0 0 "[ ]" 1
858 1 12 LEU QD 1 77 LYS H 0.000 . 5.500 2.312 2.312 2.312 . 0 0 "[ ]" 1
859 1 12 LEU QD 1 78 VAL HA 0.000 . 4.700 2.343 2.343 2.343 . 0 0 "[ ]" 1
860 1 12 LEU QD 1 79 GLY H 0.000 . 5.500 3.929 3.929 3.929 . 0 0 "[ ]" 1
861 1 12 LEU QD 1 80 ASP HB3 0.000 . 5.500 3.123 3.123 3.123 . 0 0 "[ ]" 1
862 1 12 LEU QD 1 80 ASP HB2 0.000 . 5.500 4.095 4.095 4.095 . 0 0 "[ ]" 1
863 1 12 LEU QD 1 80 ASP H 0.000 . 4.700 3.422 3.422 3.422 . 0 0 "[ ]" 1
864 1 12 LEU QD 1 81 TRP HA 0.000 . 6.500 4.746 4.746 4.746 . 0 0 "[ ]" 1
865 1 12 LEU H 1 80 ASP H 0.000 . 5.000 4.040 4.040 4.040 . 0 0 "[ ]" 1
866 1 12 LEU H 1 81 TRP HA 0.000 . 4.000 2.435 2.435 2.435 . 0 0 "[ ]" 1
867 1 13 VAL HA 1 79 GLY QA 0.000 . 5.800 4.329 4.329 4.329 . 0 0 "[ ]" 1
868 1 13 VAL MG1 1 26 VAL HA 0.000 . 4.000 2.545 2.545 2.545 . 0 0 "[ ]" 1
869 1 13 VAL MG1 1 27 GLU HA 0.000 . 5.800 3.351 3.351 3.351 . 0 0 "[ ]" 1
870 1 13 VAL MG1 1 27 GLU H 0.000 . 4.000 3.025 3.025 3.025 . 0 0 "[ ]" 1
871 1 13 VAL H 1 25 VAL H 0.000 . 5.000 4.362 4.362 4.362 . 0 0 "[ ]" 1
872 1 13 VAL H 1 26 VAL HA 0.000 . 3.200 2.633 2.633 2.633 . 0 0 "[ ]" 1
873 1 14 SER HB3 1 25 VAL HB 0.000 . 3.200 2.503 2.503 2.503 . 0 0 "[ ]" 1
874 1 14 SER HB2 1 25 VAL HB 0.000 . 3.200 3.215 3.215 3.215 0.015 1 0 "[ ]" 1
875 1 14 SER H 1 25 VAL HB 0.000 . 3.200 2.890 2.890 2.890 . 0 0 "[ ]" 1
876 1 14 SER H 1 25 VAL H 0.000 . 4.000 3.560 3.560 3.560 . 0 0 "[ ]" 1
877 1 14 SER H 1 26 VAL HA 0.000 . 4.000 4.041 4.041 4.041 0.041 1 0 "[ ]" 1
878 1 15 ILE HA 1 24 HIS HA 0.000 . 2.700 2.378 2.378 2.378 . 0 0 "[ ]" 1
879 1 15 ILE MD 1 77 LYS HA 0.000 . 4.000 3.358 3.358 3.358 . 0 0 "[ ]" 1
880 1 15 ILE MD 1 78 VAL MG2 0.000 . 4.800 1.768 1.768 1.768 . 0 0 "[ ]" 1
881 1 15 ILE MG 1 24 HIS HA 0.000 . 4.800 2.870 2.870 2.870 . 0 0 "[ ]" 1
882 1 15 ILE H 1 78 VAL MG1 0.000 . 4.800 4.033 4.033 4.033 . 0 0 "[ ]" 1
883 1 15 ILE H 1 78 VAL MG2 0.000 . 4.000 3.144 3.144 3.144 . 0 0 "[ ]" 1
884 1 16 ASP HA 1 23 THR HB 0.000 . 4.000 4.051 4.051 4.051 0.051 1 0 "[ ]" 1
885 1 16 ASP HA 1 23 THR H 0.000 . 5.000 4.974 4.974 4.974 . 0 0 "[ ]" 1
886 1 16 ASP QB 1 25 VAL MG2 0.000 . 5.600 3.173 3.173 3.173 . 0 0 "[ ]" 1
887 1 16 ASP HB3 1 23 THR HB 0.000 . 2.700 2.311 2.311 2.311 . 0 0 "[ ]" 1
888 1 16 ASP HB3 1 23 THR MG 0.000 . 4.800 2.861 2.861 2.861 . 0 0 "[ ]" 1
889 1 16 ASP HB2 1 23 THR HB 0.000 . 3.200 1.840 1.840 1.840 . 0 0 "[ ]" 1
890 1 16 ASP HB2 1 23 THR MG 0.000 . 4.800 1.940 1.940 1.940 . 0 0 "[ ]" 1
891 1 16 ASP H 1 23 THR HB 0.000 . 3.200 3.223 3.223 3.223 0.023 1 0 "[ ]" 1
892 1 16 ASP H 1 23 THR MG 0.000 . 4.800 3.524 3.524 3.524 . 0 0 "[ ]" 1
893 1 16 ASP H 1 24 HIS HA 0.000 . 3.200 2.749 2.749 2.749 . 0 0 "[ ]" 1
894 1 16 ASP H 1 25 VAL H 0.000 . 5.000 4.015 4.015 4.015 . 0 0 "[ ]" 1
895 1 17 GLU H 1 23 THR HB 0.000 . 5.000 4.737 4.737 4.737 . 0 0 "[ ]" 1
896 1 15 ILE MG 1 22 ARG QD 0.000 . 6.600 4.126 4.126 4.126 . 0 0 "[ ]" 1
897 1 22 ARG QD 1 63 LEU QD 0.000 . 6.300 3.426 3.426 3.426 . 0 0 "[ ]" 1
898 1 22 ARG QD 1 65 LYS H 0.000 . 5.800 4.926 4.926 4.926 . 0 0 "[ ]" 1
899 1 22 ARG QD 1 68 LEU MD1 0.000 . 4.800 2.747 2.747 2.747 . 0 0 "[ ]" 1
900 1 22 ARG QD 1 68 LEU MD2 0.000 . 4.800 1.974 1.974 1.974 . 0 0 "[ ]" 1
901 1 15 ILE MD 1 22 ARG HE 0.000 . 4.800 3.896 3.896 3.896 . 0 0 "[ ]" 1
902 1 15 ILE MG 1 22 ARG HE 0.000 . 4.000 2.454 2.454 2.454 . 0 0 "[ ]" 1
903 1 22 ARG HE 1 63 LEU QD 0.000 . 6.500 4.743 4.743 4.743 . 0 0 "[ ]" 1
904 1 22 ARG HE 1 68 LEU QD 0.000 . 4.700 3.487 3.487 3.487 . 0 0 "[ ]" 1
905 1 22 ARG H 1 63 LEU QB 0.000 . 4.800 4.174 4.174 4.174 . 0 0 "[ ]" 1
906 1 23 THR MG 1 60 SER QB 0.000 . 4.800 2.146 2.146 2.146 . 0 0 "[ ]" 1
907 1 15 ILE MG 1 23 THR H 0.000 . 4.800 3.843 3.843 3.843 . 0 0 "[ ]" 1
908 1 16 ASP QB 1 23 THR H 0.000 . 4.000 3.591 3.591 3.591 . 0 0 "[ ]" 1
909 1 16 ASP H 1 23 THR H 0.000 . 4.000 3.730 3.730 3.730 . 0 0 "[ ]" 1
910 1 17 GLU HA 1 23 THR H 0.000 . 3.200 2.901 2.901 2.901 . 0 0 "[ ]" 1
911 1 12 LEU QD 1 24 HIS HB2 0.000 . 6.500 3.917 3.917 3.917 . 0 0 "[ ]" 1
912 1 15 ILE HA 1 24 HIS HD2 0.000 . 4.000 2.260 2.260 2.260 . 0 0 "[ ]" 1
913 1 15 ILE MD 1 24 HIS HD2 0.000 . 4.000 3.312 3.312 3.312 . 0 0 "[ ]" 1
914 1 15 ILE MG 1 24 HIS HD2 0.000 . 3.500 2.548 2.548 2.548 . 0 0 "[ ]" 1
915 1 16 ASP H 1 24 HIS HD2 0.000 . 4.000 4.023 4.023 4.023 0.023 1 0 "[ ]" 1
916 1 15 ILE MG 1 24 HIS HE1 0.000 . 3.500 2.944 2.944 2.944 . 0 0 "[ ]" 1
917 1 24 HIS H 1 61 PHE H 0.000 . 4.000 2.749 2.749 2.749 . 0 0 "[ ]" 1
918 1 24 HIS H 1 63 LEU QD 0.000 . 4.700 3.518 3.518 3.518 . 0 0 "[ ]" 1
919 1 25 VAL HA 1 60 SER HA 0.000 . 2.700 1.811 1.811 1.811 . 0 0 "[ ]" 1
920 1 13 VAL MG1 1 25 VAL HB 0.000 . 4.800 2.957 2.957 2.957 . 0 0 "[ ]" 1
921 1 13 VAL H 1 25 VAL HB 0.000 . 4.000 4.041 4.041 4.041 0.041 1 0 "[ ]" 1
922 1 25 VAL MG1 1 59 VAL H 0.000 . 4.000 2.394 2.394 2.394 . 0 0 "[ ]" 1
923 1 12 LEU QD 1 25 VAL H 0.000 . 6.500 2.867 2.867 2.867 . 0 0 "[ ]" 1
924 1 14 SER QB 1 25 VAL H 0.000 . 5.800 3.895 3.895 3.895 . 0 0 "[ ]" 1
925 1 15 ILE HA 1 25 VAL H 0.000 . 3.200 2.958 2.958 2.958 . 0 0 "[ ]" 1
926 1 12 LEU HA 1 26 VAL HA 0.000 . 3.200 2.145 2.145 2.145 . 0 0 "[ ]" 1
927 1 10 ALA HA 1 26 VAL HB 0.000 . 4.000 3.935 3.935 3.935 . 0 0 "[ ]" 1
928 1 12 LEU HA 1 26 VAL HB 0.000 . 4.000 3.530 3.530 3.530 . 0 0 "[ ]" 1
929 1 12 LEU HA 1 26 VAL MG1 0.000 . 4.000 2.667 2.667 2.667 . 0 0 "[ ]" 1
930 1 26 VAL H 1 58 HIS HA 0.000 . 5.000 4.398 4.398 4.398 . 0 0 "[ ]" 1
931 1 26 VAL H 1 60 SER HA 0.000 . 4.000 3.675 3.675 3.675 . 0 0 "[ ]" 1
932 1 27 GLU HA 1 58 HIS HD2 0.000 . 3.200 1.830 1.830 1.830 . 0 0 "[ ]" 1
933 1 13 VAL MG1 1 27 GLU HG3 0.000 . 5.800 3.557 3.557 3.557 . 0 0 "[ ]" 1
934 1 13 VAL MG1 1 27 GLU HG2 0.000 . 5.800 4.778 4.778 4.778 . 0 0 "[ ]" 1
935 1 11 LYS QB 1 27 GLU H 0.000 . 4.000 2.638 2.638 2.638 . 0 0 "[ ]" 1
936 1 11 LYS H 1 27 GLU H 0.000 . 3.200 2.162 2.162 2.162 . 0 0 "[ ]" 1
937 1 12 LEU HA 1 27 GLU H 0.000 . 4.000 3.930 3.930 3.930 . 0 0 "[ ]" 1
938 1 28 LEU H 1 57 ASN HB3 0.000 . 5.000 5.106 5.106 5.106 0.106 1 0 "[ ]" 1
939 1 28 LEU H 1 57 ASN HB2 0.000 . 5.000 4.211 4.211 4.211 . 0 0 "[ ]" 1
940 1 28 LEU H 1 57 ASN HD21 0.000 . 4.000 1.806 1.806 1.806 . 0 0 "[ ]" 1
941 1 28 LEU H 1 57 ASN HD22 0.000 . 3.200 2.122 2.122 2.122 . 0 0 "[ ]" 1
942 1 28 LEU H 1 59 VAL HB 0.000 . 5.000 4.967 4.967 4.967 . 0 0 "[ ]" 1
943 1 28 LEU H 1 59 VAL MG2 0.000 . 4.800 3.718 3.718 3.718 . 0 0 "[ ]" 1
944 1 8 GLY QA 1 29 PRO HG3 0.000 . 5.800 3.708 3.708 3.708 . 0 0 "[ ]" 1
945 1 8 GLY QA 1 29 PRO HG2 0.000 . 5.800 3.817 3.817 3.817 . 0 0 "[ ]" 1
946 1 33 LEU QD 1 57 ASN HB3 0.000 . 5.500 2.818 2.818 2.818 . 0 0 "[ ]" 1
947 1 37 GLU H 1 54 ILE MD 0.000 . 4.800 4.005 4.005 4.005 . 0 0 "[ ]" 1
948 1 38 THR HA 1 51 VAL HB 0.000 . 2.700 1.900 1.900 1.900 . 0 0 "[ ]" 1
949 1 38 THR MG 1 51 VAL HB 0.000 . 4.000 3.173 3.173 3.173 . 0 0 "[ ]" 1
950 1 38 THR MG 1 53 GLU HA 0.000 . 4.000 1.728 1.728 1.728 . 0 0 "[ ]" 1
951 1 38 THR MG 1 53 GLU H 0.000 . 4.000 3.057 3.057 3.057 . 0 0 "[ ]" 1
952 1 38 THR H 1 54 ILE MD 0.000 . 4.000 1.907 1.907 1.907 . 0 0 "[ ]" 1
953 1 38 THR H 1 54 ILE QG 0.000 . 4.800 3.838 3.838 3.838 . 0 0 "[ ]" 1
954 1 39 GLY HA3 1 50 THR MG 0.000 . 4.000 3.375 3.375 3.375 . 0 0 "[ ]" 1
955 1 39 GLY HA2 1 50 THR MG 0.000 . 4.000 2.043 2.043 2.043 . 0 0 "[ ]" 1
956 1 39 GLY H 1 51 VAL HB 0.000 . 3.200 1.794 1.794 1.794 . 0 0 "[ ]" 1
957 1 39 GLY H 1 51 VAL MG1 0.000 . 4.000 3.144 3.144 3.144 . 0 0 "[ ]" 1
958 1 39 GLY H 1 51 VAL MG2 0.000 . 4.000 3.384 3.384 3.384 . 0 0 "[ ]" 1
959 1 39 GLY H 1 51 VAL H 0.000 . 3.200 3.094 3.094 3.094 . 0 0 "[ ]" 1
960 1 40 ALA MB 1 51 VAL HB 0.000 . 4.000 3.358 3.358 3.358 . 0 0 "[ ]" 1
961 1 40 ALA H 1 50 THR MG 0.000 . 4.800 3.522 3.522 3.522 . 0 0 "[ ]" 1
962 1 40 ALA H 1 51 VAL HB 0.000 . 3.200 2.436 2.436 2.436 . 0 0 "[ ]" 1
963 1 40 ALA H 1 51 VAL MG1 0.000 . 4.800 3.847 3.847 3.847 . 0 0 "[ ]" 1
964 1 41 SER H 1 87 ALA MB 0.000 . 4.800 3.603 3.603 3.603 . 0 0 "[ ]" 1
965 1 41 SER H 1 87 ALA H 0.000 . 4.000 3.717 3.717 3.717 . 0 0 "[ ]" 1
966 1 41 SER H 1 88 ALA HA 0.000 . 4.000 3.784 3.784 3.784 . 0 0 "[ ]" 1
967 1 41 SER HB3 1 48 CYS HB2 0.000 . 4.000 4.019 4.019 4.019 0.019 1 0 "[ ]" 1
968 1 41 SER HB2 1 48 CYS HB2 0.000 . 4.000 3.250 3.250 3.250 . 0 0 "[ ]" 1
969 1 42 VAL H 1 49 LEU H 0.000 . 4.000 3.157 3.157 3.157 . 0 0 "[ ]" 1
970 1 42 VAL H 1 50 THR HA 0.000 . 3.200 3.215 3.215 3.215 0.015 1 0 "[ ]" 1
971 1 43 ALA H 1 85 GLU H 0.000 . 3.200 2.762 2.762 2.762 . 0 0 "[ ]" 1
972 1 43 ALA H 1 86 ARG HA 0.000 . 5.000 4.141 4.141 4.141 . 0 0 "[ ]" 1
973 1 44 HIS HD1 1 84 VAL MG1 0.000 . 4.800 2.490 2.490 2.490 . 0 0 "[ ]" 1
974 1 6 VAL MG2 1 45 ASN HA 0.000 . 5.800 2.492 2.492 2.492 . 0 0 "[ ]" 1
975 1 45 ASN H 1 82 VAL MG2 0.000 . 4.000 2.759 2.759 2.759 . 0 0 "[ ]" 1
976 1 45 ASN H 1 83 ASN QB 0.000 . 4.000 2.650 2.650 2.650 . 0 0 "[ ]" 1
977 1 45 ASN H 1 84 VAL MG1 0.000 . 5.800 3.998 3.998 3.998 . 0 0 "[ ]" 1
978 1 47 CYS HB3 1 73 LEU QD 0.000 . 4.700 2.084 2.084 2.084 . 0 0 "[ ]" 1
979 1 47 CYS HB2 1 73 LEU QD 0.000 . 5.500 2.892 2.892 2.892 . 0 0 "[ ]" 1
980 1 26 VAL MG1 1 49 LEU MD1 0.000 . 6.600 4.582 4.582 4.582 . 0 0 "[ ]" 1
981 1 49 LEU MD1 1 61 PHE HB3 0.000 . 4.800 1.759 1.759 1.759 . 0 0 "[ ]" 1
982 1 49 LEU MD1 1 61 PHE HB2 0.000 . 4.800 2.287 2.287 2.287 . 0 0 "[ ]" 1
983 1 49 LEU QD 1 63 LEU HG 0.000 . 6.500 3.343 3.343 3.343 . 0 0 "[ ]" 1
984 1 49 LEU QD 1 63 LEU MD1 0.000 . 6.300 1.839 1.839 1.839 . 0 0 "[ ]" 1
985 1 49 LEU QD 1 63 LEU MD2 0.000 . 6.300 3.654 3.654 3.654 . 0 0 "[ ]" 1
986 1 49 LEU MD2 1 73 LEU MD1 0.000 . 5.800 2.888 2.888 2.888 . 0 0 "[ ]" 1
987 1 49 LEU MD2 1 73 LEU MD2 0.000 . 5.800 2.761 2.761 2.761 . 0 0 "[ ]" 1
988 1 43 ALA HA 1 49 LEU H 0.000 . 3.200 3.216 3.216 3.216 0.016 1 0 "[ ]" 1
989 1 41 SER HA 1 50 THR HA 0.000 . 3.200 2.390 2.390 2.390 . 0 0 "[ ]" 1
990 1 39 GLY QA 1 50 THR MG 0.000 . 6.600 2.027 2.027 2.027 . 0 0 "[ ]" 1
991 1 39 GLY H 1 50 THR MG 0.000 . 4.800 3.116 3.116 3.116 . 0 0 "[ ]" 1
992 1 42 VAL H 1 50 THR H 0.000 . 5.000 4.909 4.909 4.909 . 0 0 "[ ]" 1
993 1 51 VAL HA 1 61 PHE HA 0.000 . 4.000 2.346 2.346 2.346 . 0 0 "[ ]" 1
994 1 37 GLU H 1 51 VAL MG1 0.000 . 5.800 4.830 4.830 4.830 . 0 0 "[ ]" 1
995 1 38 THR HA 1 51 VAL MG1 0.000 . 4.000 2.018 2.018 2.018 . 0 0 "[ ]" 1
996 1 40 ALA MB 1 51 VAL MG2 0.000 . 4.200 1.845 1.845 1.845 . 0 0 "[ ]" 1
997 1 40 ALA H 1 51 VAL MG2 0.000 . 3.500 2.323 2.323 2.323 . 0 0 "[ ]" 1
998 1 38 THR HA 1 51 VAL H 0.000 . 5.000 4.355 4.355 4.355 . 0 0 "[ ]" 1
999 1 39 GLY QA 1 51 VAL H 0.000 . 5.800 3.410 3.410 3.410 . 0 0 "[ ]" 1
1000 1 40 ALA MB 1 51 VAL H 0.000 . 5.800 3.760 3.760 3.760 . 0 0 "[ ]" 1
1001 1 40 ALA H 1 51 VAL H 0.000 . 4.000 3.114 3.114 3.114 . 0 0 "[ ]" 1
1002 1 41 SER HA 1 51 VAL H 0.000 . 4.000 3.901 3.901 3.901 . 0 0 "[ ]" 1
1003 1 52 THR MG 1 61 PHE HA 0.000 . 3.500 2.235 2.235 2.235 . 0 0 "[ ]" 1
1004 1 52 THR MG 1 62 ASP H 0.000 . 4.000 2.232 2.232 2.232 . 0 0 "[ ]" 1
1005 1 52 THR H 1 60 SER QB 0.000 . 5.800 3.816 3.816 3.816 . 0 0 "[ ]" 1
1006 1 52 THR H 1 61 PHE HA 0.000 . 4.000 1.996 1.996 1.996 . 0 0 "[ ]" 1
1007 1 53 GLU QB 1 60 SER QB 0.000 . 4.700 2.419 2.419 2.419 . 0 0 "[ ]" 1
1008 1 53 GLU H 1 59 VAL MG1 0.000 . 4.800 3.871 3.871 3.871 . 0 0 "[ ]" 1
1009 1 53 GLU H 1 60 SER H 0.000 . 3.200 3.223 3.223 3.223 0.023 1 0 "[ ]" 1
1010 1 53 GLU H 1 61 PHE HA 0.000 . 4.000 4.061 4.061 4.061 0.061 1 0 "[ ]" 1
1011 1 37 GLU HA 1 54 ILE MD 0.000 . 3.500 2.056 2.056 2.056 . 0 0 "[ ]" 1
1012 1 38 THR HA 1 54 ILE MD 0.000 . 4.800 2.645 2.645 2.645 . 0 0 "[ ]" 1
1013 1 38 THR MG 1 54 ILE QG 0.000 . 4.000 1.842 1.842 1.842 . 0 0 "[ ]" 1
1014 1 38 THR HA 1 54 ILE H 0.000 . 5.000 5.030 5.030 5.030 0.030 1 0 "[ ]" 1
1015 1 38 THR MG 1 54 ILE H 0.000 . 4.000 2.079 2.079 2.079 . 0 0 "[ ]" 1
1016 1 25 VAL MG1 1 55 ASN HD21 0.000 . 4.800 2.233 2.233 2.233 . 0 0 "[ ]" 1
1017 1 25 VAL MG2 1 55 ASN HD22 0.000 . 4.800 3.240 3.240 3.240 . 0 0 "[ ]" 1
1018 1 27 GLU QG 1 57 ASN HB3 0.000 . 5.800 4.602 4.602 4.602 . 0 0 "[ ]" 1
1019 1 27 GLU QG 1 57 ASN HB2 0.000 . 5.800 4.500 4.500 4.500 . 0 0 "[ ]" 1
1020 1 27 GLU HB3 1 57 ASN HD21 0.000 . 5.800 4.700 4.700 4.700 . 0 0 "[ ]" 1
1021 1 27 GLU HB2 1 57 ASN HD21 0.000 . 5.800 5.374 5.374 5.374 . 0 0 "[ ]" 1
1022 1 27 GLU QG 1 57 ASN HD21 0.000 . 4.800 3.168 3.168 3.168 . 0 0 "[ ]" 1
1023 1 33 LEU QD 1 57 ASN HD21 0.000 . 6.500 1.979 1.979 1.979 . 0 0 "[ ]" 1
1024 1 33 LEU HG 1 57 ASN HD21 0.000 . 5.000 3.552 3.552 3.552 . 0 0 "[ ]" 1
1025 1 13 VAL MG1 1 57 ASN HD22 0.000 . 5.800 4.889 4.889 4.889 . 0 0 "[ ]" 1
1026 1 27 GLU HB3 1 57 ASN HD22 0.000 . 5.800 3.333 3.333 3.333 . 0 0 "[ ]" 1
1027 1 27 GLU HB2 1 57 ASN HD22 0.000 . 5.800 3.822 3.822 3.822 . 0 0 "[ ]" 1
1028 1 27 GLU QG 1 57 ASN HD22 0.000 . 4.800 1.753 1.753 1.753 . 0 0 "[ ]" 1
1029 1 33 LEU QD 1 57 ASN HD22 0.000 . 6.500 3.380 3.380 3.380 . 0 0 "[ ]" 1
1030 1 33 LEU HG 1 57 ASN HD22 0.000 . 5.000 5.040 5.040 5.040 0.040 1 0 "[ ]" 1
1031 1 28 LEU H 1 58 HIS HA 0.000 . 4.000 2.808 2.808 2.808 . 0 0 "[ ]" 1
1032 1 25 VAL MG1 1 58 HIS HB3 0.000 . 3.500 1.990 1.990 1.990 . 0 0 "[ ]" 1
1033 1 25 VAL MG1 1 58 HIS HB2 0.000 . 4.000 3.320 3.320 3.320 . 0 0 "[ ]" 1
1034 1 13 VAL MG1 1 58 HIS HD2 0.000 . 4.800 1.993 1.993 1.993 . 0 0 "[ ]" 1
1035 1 13 VAL MG2 1 58 HIS HD2 0.000 . 4.800 3.917 3.917 3.917 . 0 0 "[ ]" 1
1036 1 27 GLU HB3 1 58 HIS HD2 0.000 . 4.000 3.962 3.962 3.962 . 0 0 "[ ]" 1
1037 1 27 GLU HG3 1 58 HIS HD2 0.000 . 4.000 2.601 2.601 2.601 . 0 0 "[ ]" 1
1038 1 27 GLU HG2 1 58 HIS HD2 0.000 . 4.000 4.020 4.020 4.020 0.020 1 0 "[ ]" 1
1039 1 27 GLU H 1 58 HIS HD2 0.000 . 3.200 3.259 3.259 3.259 0.059 1 0 "[ ]" 1
1040 1 28 LEU H 1 58 HIS HD2 0.000 . 4.000 3.877 3.877 3.877 . 0 0 "[ ]" 1
1041 1 13 VAL HB 1 58 HIS HE1 0.000 . 5.000 4.413 4.413 4.413 . 0 0 "[ ]" 1
1042 1 13 VAL MG1 1 58 HIS HE1 0.000 . 4.000 3.349 3.349 3.349 . 0 0 "[ ]" 1
1043 1 13 VAL MG2 1 58 HIS HE1 0.000 . 4.000 2.457 2.457 2.457 . 0 0 "[ ]" 1
1044 1 26 VAL MG2 1 59 VAL HB 0.000 . 4.800 2.335 2.335 2.335 . 0 0 "[ ]" 1
1045 1 26 VAL MG2 1 59 VAL MG1 0.000 . 4.800 3.345 3.345 3.345 . 0 0 "[ ]" 1
1046 1 51 VAL HA 1 59 VAL MG1 0.000 . 4.800 3.243 3.243 3.243 . 0 0 "[ ]" 1
1047 1 25 VAL HA 1 59 VAL H 0.000 . 5.000 3.779 3.779 3.779 . 0 0 "[ ]" 1
1048 1 26 VAL HB 1 59 VAL H 0.000 . 5.000 5.032 5.032 5.032 0.032 1 0 "[ ]" 1
1049 1 26 VAL QG 1 59 VAL H 0.000 . 4.700 2.680 2.680 2.680 . 0 0 "[ ]" 1
1050 1 26 VAL H 1 59 VAL H 0.000 . 3.200 2.468 2.468 2.468 . 0 0 "[ ]" 1
1051 1 27 GLU HA 1 59 VAL H 0.000 . 4.000 3.921 3.921 3.921 . 0 0 "[ ]" 1
1052 1 25 VAL HB 1 60 SER HA 0.000 . 4.000 4.067 4.067 4.067 0.067 1 0 "[ ]" 1
1053 1 53 GLU H 1 60 SER HB3 0.000 . 4.000 4.006 4.006 4.006 0.006 1 0 "[ ]" 1
1054 1 53 GLU H 1 60 SER HB2 0.000 . 4.000 2.520 2.520 2.520 . 0 0 "[ ]" 1
1055 1 54 ILE HA 1 60 SER H 0.000 . 4.000 2.995 2.995 2.995 . 0 0 "[ ]" 1
1056 1 54 ILE MG 1 60 SER H 0.000 . 5.800 4.874 4.874 4.874 . 0 0 "[ ]" 1
1057 1 23 THR MG 1 61 PHE H 0.000 . 4.000 3.221 3.221 3.221 . 0 0 "[ ]" 1
1058 1 24 HIS HB3 1 61 PHE H 0.000 . 4.000 4.079 4.079 4.079 0.079 1 0 "[ ]" 1
1059 1 25 VAL HA 1 61 PHE H 0.000 . 3.200 3.221 3.221 3.221 0.021 1 0 "[ ]" 1
1060 1 25 VAL MG2 1 61 PHE H 0.000 . 4.800 3.477 3.477 3.477 . 0 0 "[ ]" 1
1061 1 52 THR MG 1 61 PHE H 0.000 . 4.800 3.920 3.920 3.920 . 0 0 "[ ]" 1
1062 1 23 THR HA 1 62 ASP HA 0.000 . 3.200 2.645 2.645 2.645 . 0 0 "[ ]" 1
1063 1 23 THR MG 1 62 ASP HA 0.000 . 4.800 3.537 3.537 3.537 . 0 0 "[ ]" 1
1064 1 24 HIS H 1 62 ASP HA 0.000 . 4.000 3.909 3.909 3.909 . 0 0 "[ ]" 1
1065 1 50 THR HB 1 62 ASP H 0.000 . 5.000 4.136 4.136 4.136 . 0 0 "[ ]" 1
1066 1 52 THR H 1 62 ASP H 0.000 . 4.000 3.386 3.386 3.386 . 0 0 "[ ]" 1
1067 1 21 PHE HB3 1 63 LEU H 0.000 . 5.000 3.840 3.840 3.840 . 0 0 "[ ]" 1
1068 1 21 PHE HB2 1 63 LEU H 0.000 . 5.000 5.012 5.012 5.012 0.012 1 0 "[ ]" 1
1069 1 22 ARG HA 1 63 LEU H 0.000 . 5.000 5.036 5.036 5.036 0.036 1 0 "[ ]" 1
1070 1 22 ARG H 1 63 LEU H 0.000 . 4.000 3.756 3.756 3.756 . 0 0 "[ ]" 1
1071 1 23 THR HA 1 63 LEU H 0.000 . 4.000 3.273 3.273 3.273 . 0 0 "[ ]" 1
1072 1 68 LEU HA 1 74 GLY H 0.000 . 4.000 3.086 3.086 3.086 . 0 0 "[ ]" 1
1073 1 68 LEU HG 1 74 GLY QA 0.000 . 3.500 1.879 1.879 1.879 . 0 0 "[ ]" 1
1074 1 63 LEU QD 1 73 LEU HA 0.000 . 5.500 3.811 3.811 3.811 . 0 0 "[ ]" 1
1075 1 63 LEU QD 1 73 LEU QD 0.000 . 6.200 1.701 1.701 1.701 . 0 0 "[ ]" 1
1076 1 47 CYS HB3 1 73 LEU HG 0.000 . 4.000 4.001 4.001 4.001 0.001 1 0 "[ ]" 1
1077 1 47 CYS HB2 1 73 LEU HG 0.000 . 4.000 4.041 4.041 4.041 0.041 1 0 "[ ]" 1
1078 1 63 LEU QD 1 73 LEU H 0.000 . 5.500 4.152 4.152 4.152 . 0 0 "[ ]" 1
1079 1 68 LEU QD 1 74 GLY HA3 0.000 . 4.200 2.713 2.713 2.713 . 0 0 "[ ]" 1
1080 1 68 LEU HG 1 74 GLY HA3 0.000 . 4.000 2.147 2.147 2.147 . 0 0 "[ ]" 1
1081 1 68 LEU QD 1 74 GLY HA2 0.000 . 4.200 1.776 1.776 1.776 . 0 0 "[ ]" 1
1082 1 68 LEU HG 1 74 GLY HA2 0.000 . 4.000 2.075 2.075 2.075 . 0 0 "[ ]" 1
1083 1 68 LEU QD 1 74 GLY H 0.000 . 5.500 2.479 2.479 2.479 . 0 0 "[ ]" 1
1084 1 12 LEU HB3 1 78 VAL HA 0.000 . 3.200 1.807 1.807 1.807 . 0 0 "[ ]" 1
1085 1 12 LEU HB2 1 78 VAL HA 0.000 . 3.200 3.296 3.296 3.296 0.096 1 0 "[ ]" 1
1086 1 12 LEU HG 1 78 VAL HA 0.000 . 3.200 1.933 1.933 1.933 . 0 0 "[ ]" 1
1087 1 12 LEU QD 1 78 VAL MG1 0.000 . 6.300 3.343 3.343 3.343 . 0 0 "[ ]" 1
1088 1 13 VAL HA 1 78 VAL MG1 0.000 . 3.500 2.166 2.166 2.166 . 0 0 "[ ]" 1
1089 1 14 SER HA 1 78 VAL MG1 0.000 . 4.000 2.814 2.814 2.814 . 0 0 "[ ]" 1
1090 1 14 SER QB 1 78 VAL MG1 0.000 . 5.600 4.175 4.175 4.175 . 0 0 "[ ]" 1
1091 1 14 SER H 1 78 VAL MG1 0.000 . 5.800 3.222 3.222 3.222 . 0 0 "[ ]" 1
1092 1 12 LEU QD 1 78 VAL MG2 0.000 . 5.500 2.030 2.030 2.030 . 0 0 "[ ]" 1
1093 1 12 LEU QD 1 78 VAL H 0.000 . 5.500 2.372 2.372 2.372 . 0 0 "[ ]" 1
1094 1 15 ILE MD 1 78 VAL H 0.000 . 4.000 2.750 2.750 2.750 . 0 0 "[ ]" 1
1095 1 11 LYS QG 1 79 GLY QA 0.000 . 5.500 3.796 3.796 3.796 . 0 0 "[ ]" 1
1096 1 11 LYS QG 1 79 GLY H 0.000 . 4.800 3.803 3.803 3.803 . 0 0 "[ ]" 1
1097 1 12 LEU HA 1 79 GLY H 0.000 . 5.000 4.667 4.667 4.667 . 0 0 "[ ]" 1
1098 1 12 LEU HB3 1 79 GLY H 0.000 . 4.000 2.558 2.558 2.558 . 0 0 "[ ]" 1
1099 1 12 LEU HG 1 79 GLY H 0.000 . 4.000 3.821 3.821 3.821 . 0 0 "[ ]" 1
1100 1 12 LEU H 1 79 GLY H 0.000 . 5.000 4.225 4.225 4.225 . 0 0 "[ ]" 1
1101 1 13 VAL HA 1 79 GLY H 0.000 . 5.000 3.256 3.256 3.256 . 0 0 "[ ]" 1
1102 1 12 LEU HB3 1 80 ASP H 0.000 . 3.200 2.548 2.548 2.548 . 0 0 "[ ]" 1
1103 1 12 LEU HB2 1 80 ASP H 0.000 . 4.000 3.728 3.728 3.728 . 0 0 "[ ]" 1
1104 1 11 LYS QD 1 81 TRP HD1 0.000 . 4.800 4.294 4.294 4.294 . 0 0 "[ ]" 1
1105 1 11 LYS HA 1 81 TRP HE1 0.000 . 4.000 4.026 4.026 4.026 0.026 1 0 "[ ]" 1
1106 1 11 LYS HB3 1 81 TRP HE1 0.000 . 5.000 4.735 4.735 4.735 . 0 0 "[ ]" 1
1107 1 11 LYS HB2 1 81 TRP HE1 0.000 . 5.000 3.583 3.583 3.583 . 0 0 "[ ]" 1
1108 1 11 LYS QD 1 81 TRP HE1 0.000 . 4.000 2.095 2.095 2.095 . 0 0 "[ ]" 1
1109 1 11 LYS QE 1 81 TRP HE1 0.000 . 4.000 3.467 3.467 3.467 . 0 0 "[ ]" 1
1110 1 11 LYS QG 1 81 TRP HE1 0.000 . 4.800 2.219 2.219 2.219 . 0 0 "[ ]" 1
1111 1 11 LYS QD 1 81 TRP HH2 0.000 . 4.000 3.568 3.568 3.568 . 0 0 "[ ]" 1
1112 1 11 LYS HB2 1 81 TRP HZ2 0.000 . 4.000 2.980 2.980 2.980 . 0 0 "[ ]" 1
1113 1 11 LYS QD 1 81 TRP HZ2 0.000 . 4.000 1.919 1.919 1.919 . 0 0 "[ ]" 1
1114 1 11 LYS QE 1 81 TRP HZ2 0.000 . 4.800 4.030 4.030 4.030 . 0 0 "[ ]" 1
1115 1 10 ALA MB 1 82 VAL MG2 0.000 . 4.300 3.016 3.016 3.016 . 0 0 "[ ]" 1
1116 1 44 HIS HB3 1 82 VAL MG2 0.000 . 4.800 2.086 2.086 2.086 . 0 0 "[ ]" 1
1117 1 44 HIS HB2 1 82 VAL MG2 0.000 . 4.800 3.388 3.388 3.388 . 0 0 "[ ]" 1
1118 1 44 HIS HD1 1 82 VAL MG2 0.000 . 4.800 3.539 3.539 3.539 . 0 0 "[ ]" 1
1119 1 76 LEU QD 1 82 VAL MG2 0.000 . 5.000 2.971 2.971 2.971 . 0 0 "[ ]" 1
1120 1 10 ALA H 1 82 VAL MG1 0.000 . 4.800 1.999 1.999 1.999 . 0 0 "[ ]" 1
1121 1 11 LYS HA 1 82 VAL MG1 0.000 . 5.800 3.925 3.925 3.925 . 0 0 "[ ]" 1
1122 1 44 HIS QB 1 82 VAL MG1 0.000 . 5.600 4.174 4.174 4.174 . 0 0 "[ ]" 1
1123 1 44 HIS HD1 1 82 VAL MG1 0.000 . 5.800 4.478 4.478 4.478 . 0 0 "[ ]" 1
1124 1 10 ALA MB 1 82 VAL H 0.000 . 4.800 3.134 3.134 3.134 . 0 0 "[ ]" 1
1125 1 10 ALA H 1 82 VAL H 0.000 . 3.200 2.193 2.193 2.193 . 0 0 "[ ]" 1
1126 1 11 LYS HA 1 82 VAL H 0.000 . 4.000 3.673 3.673 3.673 . 0 0 "[ ]" 1
1127 1 8 GLY H 1 83 ASN HA 0.000 . 5.000 5.037 5.037 5.037 0.037 1 0 "[ ]" 1
1128 1 9 THR HA 1 83 ASN HA 0.000 . 2.700 2.460 2.460 2.460 . 0 0 "[ ]" 1
1129 1 9 THR MG 1 83 ASN HA 0.000 . 3.500 2.180 2.180 2.180 . 0 0 "[ ]" 1
1130 1 6 VAL MG1 1 83 ASN HB3 0.000 . 4.000 2.584 2.584 2.584 . 0 0 "[ ]" 1
1131 1 6 VAL MG2 1 83 ASN HB3 0.000 . 4.000 1.814 1.814 1.814 . 0 0 "[ ]" 1
1132 1 45 ASN HA 1 83 ASN HB3 0.000 . 4.000 2.132 2.132 2.132 . 0 0 "[ ]" 1
1133 1 45 ASN HD22 1 83 ASN HB3 0.000 . 4.000 4.066 4.066 4.066 0.066 1 0 "[ ]" 1
1134 1 6 VAL MG2 1 83 ASN HB2 0.000 . 4.800 3.291 3.291 3.291 . 0 0 "[ ]" 1
1135 1 44 HIS HA 1 83 ASN HB2 0.000 . 5.000 5.016 5.016 5.016 0.016 1 0 "[ ]" 1
1136 1 45 ASN HA 1 83 ASN HB2 0.000 . 4.000 2.541 2.541 2.541 . 0 0 "[ ]" 1
1137 1 45 ASN HD22 1 83 ASN HB2 0.000 . 4.000 2.905 2.905 2.905 . 0 0 "[ ]" 1
1138 1 6 VAL HB 1 83 ASN HD21 0.000 . 4.000 2.921 2.921 2.921 . 0 0 "[ ]" 1
1139 1 45 ASN QB 1 83 ASN H 0.000 . 4.800 3.070 3.070 3.070 . 0 0 "[ ]" 1
1140 1 45 ASN H 1 83 ASN H 0.000 . 4.000 3.376 3.376 3.376 . 0 0 "[ ]" 1
1141 1 44 HIS HA 1 84 VAL HA 0.000 . 2.700 2.651 2.651 2.651 . 0 0 "[ ]" 1
1142 1 45 ASN H 1 84 VAL HA 0.000 . 5.000 3.153 3.153 3.153 . 0 0 "[ ]" 1
1143 1 32 MET ME 1 84 VAL HB 0.000 . 4.000 2.688 2.688 2.688 . 0 0 "[ ]" 1
1144 1 32 MET QG 1 84 VAL HB 0.000 . 4.800 4.274 4.274 4.274 . 0 0 "[ ]" 1
1145 1 42 VAL MG1 1 84 VAL HB 0.000 . 4.800 3.219 3.219 3.219 . 0 0 "[ ]" 1
1146 1 9 THR HA 1 84 VAL MG1 0.000 . 4.800 3.833 3.833 3.833 . 0 0 "[ ]" 1
1147 1 10 ALA MB 1 84 VAL MG1 0.000 . 4.300 1.810 1.810 1.810 . 0 0 "[ ]" 1
1148 1 42 VAL MG1 1 84 VAL MG1 0.000 . 5.600 2.208 2.208 2.208 . 0 0 "[ ]" 1
1149 1 44 HIS HA 1 84 VAL MG1 0.000 . 4.000 2.762 2.762 2.762 . 0 0 "[ ]" 1
1150 1 8 GLY QA 1 84 VAL MG2 0.000 . 5.600 3.232 3.232 3.232 . 0 0 "[ ]" 1
1151 1 9 THR HA 1 84 VAL MG2 0.000 . 4.000 1.984 1.984 1.984 . 0 0 "[ ]" 1
1152 1 10 ALA HA 1 84 VAL MG2 0.000 . 5.800 3.148 3.148 3.148 . 0 0 "[ ]" 1
1153 1 29 PRO HD3 1 84 VAL MG2 0.000 . 4.800 3.592 3.592 3.592 . 0 0 "[ ]" 1
1154 1 29 PRO HD2 1 84 VAL MG2 0.000 . 4.800 3.487 3.487 3.487 . 0 0 "[ ]" 1
1155 1 32 MET ME 1 84 VAL MG2 0.000 . 4.300 2.822 2.822 2.822 . 0 0 "[ ]" 1
1156 1 32 MET QG 1 84 VAL MG2 0.000 . 5.600 2.935 2.935 2.935 . 0 0 "[ ]" 1
1157 1 6 VAL MG1 1 84 VAL H 0.000 . 4.000 2.437 2.437 2.437 . 0 0 "[ ]" 1
1158 1 9 THR HA 1 84 VAL H 0.000 . 3.200 1.917 1.917 1.917 . 0 0 "[ ]" 1
1159 1 9 THR MG 1 84 VAL H 0.000 . 4.000 3.334 3.334 3.334 . 0 0 "[ ]" 1
1160 1 42 VAL HA 1 85 GLU H 0.000 . 4.000 4.011 4.011 4.011 0.011 1 0 "[ ]" 1
1161 1 42 VAL MG1 1 85 GLU H 0.000 . 4.000 3.079 3.079 3.079 . 0 0 "[ ]" 1
1162 1 42 VAL MG2 1 85 GLU H 0.000 . 4.800 4.015 4.015 4.015 . 0 0 "[ ]" 1
1163 1 43 ALA MB 1 85 GLU H 0.000 . 4.000 3.104 3.104 3.104 . 0 0 "[ ]" 1
1164 1 44 HIS HA 1 85 GLU H 0.000 . 4.000 4.027 4.027 4.027 0.027 1 0 "[ ]" 1
1165 1 32 MET ME 1 86 ARG H 0.000 . 4.000 3.214 3.214 3.214 . 0 0 "[ ]" 1
1166 1 41 SER HB3 1 87 ALA MB 0.000 . 4.000 3.211 3.211 3.211 . 0 0 "[ ]" 1
1167 1 41 SER HB2 1 87 ALA MB 0.000 . 4.000 1.841 1.841 1.841 . 0 0 "[ ]" 1
1168 1 42 VAL HA 1 87 ALA H 0.000 . 5.000 3.323 3.323 3.323 . 0 0 "[ ]" 1
1169 2 2 PHE H 2 2 PHE HA 3.200 2.600 4.200 2.862 2.862 2.862 . 0 0 "[ ]" 1
1170 2 2 PHE H 2 2 PHE HB3 0.000 . 4.000 3.368 3.368 3.368 . 0 0 "[ ]" 1
1171 2 2 PHE H 2 2 PHE HB2 0.000 . 4.000 4.051 4.051 4.051 0.051 1 0 "[ ]" 1
1172 2 3 THR HA 2 3 THR HB 0.000 . 2.700 2.504 2.504 2.504 . 0 0 "[ ]" 1
1173 2 3 THR H 2 3 THR HA 3.200 2.600 4.200 2.993 2.993 2.993 . 0 0 "[ ]" 1
1174 2 3 THR H 2 3 THR HB 0.000 . 4.000 3.736 3.736 3.736 . 0 0 "[ ]" 1
1175 2 3 THR H 2 3 THR MG 0.000 . 4.000 2.788 2.788 2.788 . 0 0 "[ ]" 1
1176 2 5 ILE H 2 5 ILE HB 0.000 . 3.200 2.405 2.405 2.405 . 0 0 "[ ]" 1
1177 2 5 ILE H 2 5 ILE HA 3.200 2.600 4.200 2.922 2.922 2.922 . 0 0 "[ ]" 1
1178 2 5 ILE H 2 5 ILE MD 0.000 . 5.800 3.368 3.368 3.368 . 0 0 "[ ]" 1
1179 2 5 ILE H 2 5 ILE HG13 0.000 . 4.000 2.016 2.016 2.016 . 0 0 "[ ]" 1
1180 2 5 ILE H 2 5 ILE HG12 0.000 . 4.000 3.400 3.400 3.400 . 0 0 "[ ]" 1
1181 2 6 VAL HA 2 6 VAL MG1 0.000 . 3.500 2.705 2.705 2.705 . 0 0 "[ ]" 1
1182 2 6 VAL HA 2 6 VAL MG2 0.000 . 3.500 1.994 1.994 1.994 . 0 0 "[ ]" 1
1183 2 6 VAL H 2 6 VAL HA 3.200 2.600 4.200 2.941 2.941 2.941 . 0 0 "[ ]" 1
1184 2 6 VAL H 2 6 VAL HB 0.000 . 3.200 2.073 2.073 2.073 . 0 0 "[ ]" 1
1185 2 6 VAL H 2 6 VAL QG 0.000 . 4.200 2.799 2.799 2.799 . 0 0 "[ ]" 1
1186 2 7 GLN H 2 7 GLN HA 3.200 2.600 4.200 2.896 2.896 2.896 . 0 0 "[ ]" 1
1187 2 7 GLN H 2 7 GLN QB 0.000 . 3.500 2.223 2.223 2.223 . 0 0 "[ ]" 1
1188 2 7 GLN H 2 7 GLN QG 0.000 . 3.500 2.284 2.284 2.284 . 0 0 "[ ]" 1
1189 2 9 THR HA 2 9 THR HB 0.000 . 2.700 2.548 2.548 2.548 . 0 0 "[ ]" 1
1190 2 9 THR HA 2 9 THR MG 0.000 . 3.500 2.326 2.326 2.326 . 0 0 "[ ]" 1
1191 2 9 THR H 2 9 THR HA 3.200 2.600 4.200 2.999 2.999 2.999 . 0 0 "[ ]" 1
1192 2 9 THR H 2 9 THR MG 0.000 . 4.000 2.934 2.934 2.934 . 0 0 "[ ]" 1
1193 2 10 ALA H 2 10 ALA HA 3.200 2.600 4.200 3.007 3.007 3.007 . 0 0 "[ ]" 1
1194 2 10 ALA H 2 10 ALA MB 0.000 . 3.500 2.383 2.383 2.383 . 0 0 "[ ]" 1
1195 2 11 LYS HA 2 11 LYS QD 0.000 . 4.800 3.908 3.908 3.908 . 0 0 "[ ]" 1
1196 2 11 LYS HA 2 11 LYS HG3 0.000 . 3.200 2.442 2.442 2.442 . 0 0 "[ ]" 1
1197 2 11 LYS HA 2 11 LYS HG2 0.000 . 3.200 3.119 3.119 3.119 . 0 0 "[ ]" 1
1198 2 11 LYS H 2 11 LYS HA 3.200 2.600 4.200 2.993 2.993 2.993 . 0 0 "[ ]" 1
1199 2 11 LYS HA 2 11 LYS HB3 3.200 2.700 4.200 3.027 3.027 3.027 . 0 0 "[ ]" 1
1200 2 11 LYS HB3 2 11 LYS QE 0.000 . 4.800 3.440 3.440 3.440 . 0 0 "[ ]" 1
1201 2 11 LYS H 2 11 LYS HB3 0.000 . 3.200 2.431 2.431 2.431 . 0 0 "[ ]" 1
1202 2 11 LYS HA 2 11 LYS HB2 0.000 . 2.700 2.472 2.472 2.472 . 0 0 "[ ]" 1
1203 2 11 LYS HB2 2 11 LYS QD 0.000 . 3.500 2.375 2.375 2.375 . 0 0 "[ ]" 1
1204 2 11 LYS HB2 2 11 LYS QE 0.000 . 4.800 4.016 4.016 4.016 . 0 0 "[ ]" 1
1205 2 11 LYS H 2 11 LYS HB2 0.000 . 3.200 2.813 2.813 2.813 . 0 0 "[ ]" 1
1206 2 12 LEU H 2 12 LEU HA 3.200 2.600 4.200 2.886 2.886 2.886 . 0 0 "[ ]" 1
1207 2 12 LEU H 2 12 LEU HB3 0.000 . 3.200 2.679 2.679 2.679 . 0 0 "[ ]" 1
1208 2 12 LEU H 2 12 LEU HB2 0.000 . 3.200 2.202 2.202 2.202 . 0 0 "[ ]" 1
1209 2 13 VAL HA 2 13 VAL HB 0.000 . 2.700 2.358 2.358 2.358 . 0 0 "[ ]" 1
1210 2 13 VAL HA 2 13 VAL MG2 0.000 . 3.500 2.457 2.457 2.457 . 0 0 "[ ]" 1
1211 2 13 VAL H 2 13 VAL HA 3.200 2.600 4.200 2.995 2.995 2.995 . 0 0 "[ ]" 1
1212 2 13 VAL H 2 13 VAL HB 0.000 . 3.200 3.233 3.233 3.233 0.033 1 0 "[ ]" 1
1213 2 13 VAL H 2 13 VAL MG1 0.000 . 3.500 1.782 1.782 1.782 . 0 0 "[ ]" 1
1214 2 14 SER H 2 14 SER HA 3.200 2.600 4.200 2.989 2.989 2.989 . 0 0 "[ ]" 1
1215 2 15 ILE HA 2 15 ILE HB 3.200 2.700 4.200 3.026 3.026 3.026 . 0 0 "[ ]" 1
1216 2 15 ILE H 2 15 ILE HA 3.200 2.600 4.200 3.004 3.004 3.004 . 0 0 "[ ]" 1
1217 2 15 ILE H 2 15 ILE HB 0.000 . 3.200 2.655 2.655 2.655 . 0 0 "[ ]" 1
1218 2 15 ILE H 2 15 ILE MD 0.000 . 5.800 3.845 3.845 3.845 . 0 0 "[ ]" 1
1219 2 15 ILE H 2 15 ILE QG 0.000 . 4.800 2.277 2.277 2.277 . 0 0 "[ ]" 1
1220 2 16 ASP H 2 16 ASP HA 3.200 2.600 4.200 2.994 2.994 2.994 . 0 0 "[ ]" 1
1221 2 16 ASP H 2 16 ASP QB 0.000 . 3.500 2.278 2.278 2.278 . 0 0 "[ ]" 1
1222 2 17 GLU H 2 17 GLU HA 3.200 2.600 4.200 2.981 2.981 2.981 . 0 0 "[ ]" 1
1223 2 17 GLU H 2 17 GLU QB 0.000 . 3.500 2.255 2.255 2.255 . 0 0 "[ ]" 1
1224 2 18 LYS HB2 2 18 LYS QE 0.000 . 4.000 2.587 2.587 2.587 . 0 0 "[ ]" 1
1225 2 18 LYS H 2 18 LYS HA 3.200 2.600 4.200 3.004 3.004 3.004 . 0 0 "[ ]" 1
1226 2 18 LYS H 2 18 LYS HB3 0.000 . 4.000 3.749 3.749 3.749 . 0 0 "[ ]" 1
1227 2 18 LYS H 2 18 LYS HB2 0.000 . 3.200 2.795 2.795 2.795 . 0 0 "[ ]" 1
1228 2 18 LYS H 2 18 LYS QD 0.000 . 4.800 4.280 4.280 4.280 . 0 0 "[ ]" 1
1229 2 18 LYS H 2 18 LYS QG 0.000 . 4.000 2.374 2.374 2.374 . 0 0 "[ ]" 1
1230 2 21 PHE H 2 21 PHE HA 3.200 2.600 4.200 2.959 2.959 2.959 . 0 0 "[ ]" 1
1231 2 22 ARG HD3 2 22 ARG HE 3.200 2.700 4.200 2.728 2.728 2.728 . 0 0 "[ ]" 1
1232 2 22 ARG HD2 2 22 ARG HE 3.200 2.700 4.200 2.941 2.941 2.941 . 0 0 "[ ]" 1
1233 2 22 ARG HE 2 22 ARG QG 0.000 . 3.500 2.188 2.188 2.188 . 0 0 "[ ]" 1
1234 2 22 ARG H 2 22 ARG HA 3.200 2.600 4.200 2.958 2.958 2.958 . 0 0 "[ ]" 1
1235 2 22 ARG H 2 22 ARG QG 0.000 . 4.800 3.968 3.968 3.968 . 0 0 "[ ]" 1
1236 2 23 THR H 2 23 THR HA 3.200 2.600 4.200 3.002 3.002 3.002 . 0 0 "[ ]" 1
1237 2 23 THR H 2 23 THR HB 0.000 . 3.200 2.511 2.511 2.511 . 0 0 "[ ]" 1
1238 2 23 THR H 2 23 THR MG 0.000 . 4.800 3.803 3.803 3.803 . 0 0 "[ ]" 1
1239 2 24 HIS HA 2 24 HIS HD2 0.000 . 3.200 2.354 2.354 2.354 . 0 0 "[ ]" 1
1240 2 24 HIS H 2 24 HIS HA 3.200 2.600 4.200 2.998 2.998 2.998 . 0 0 "[ ]" 1
1241 2 24 HIS H 2 24 HIS HB3 0.000 . 4.000 3.426 3.426 3.426 . 0 0 "[ ]" 1
1242 2 24 HIS H 2 24 HIS HB2 0.000 . 3.200 2.402 2.402 2.402 . 0 0 "[ ]" 1
1243 2 25 VAL HA 2 25 VAL HB 3.000 2.700 3.200 3.013 3.013 3.013 . 0 0 "[ ]" 1
1244 2 25 VAL HA 2 25 VAL MG1 0.000 . 3.200 2.179 2.179 2.179 . 0 0 "[ ]" 1
1245 2 25 VAL HA 2 25 VAL MG2 0.000 . 3.500 2.405 2.405 2.405 . 0 0 "[ ]" 1
1246 2 25 VAL H 2 25 VAL HA 3.200 2.600 4.200 2.998 2.998 2.998 . 0 0 "[ ]" 1
1247 2 25 VAL H 2 25 VAL HB 0.000 . 3.200 2.609 2.609 2.609 . 0 0 "[ ]" 1
1248 2 26 VAL HA 2 26 VAL HB 0.000 . 2.700 2.441 2.441 2.441 . 0 0 "[ ]" 1
1249 2 26 VAL H 2 26 VAL HB 0.000 . 4.000 3.690 3.690 3.690 . 0 0 "[ ]" 1
1250 2 26 VAL H 2 26 VAL MG2 0.000 . 3.200 1.846 1.846 1.846 . 0 0 "[ ]" 1
1251 2 26 VAL H 2 26 VAL HA 3.200 2.600 4.200 2.996 2.996 2.996 . 0 0 "[ ]" 1
1252 2 27 GLU HA 2 27 GLU HB3 3.200 2.700 4.200 2.967 2.967 2.967 . 0 0 "[ ]" 1
1253 2 27 GLU HA 2 27 GLU HB2 0.000 . 2.700 2.702 2.702 2.702 0.002 1 0 "[ ]" 1
1254 2 27 GLU H 2 27 GLU HA 3.200 2.600 4.200 2.982 2.982 2.982 . 0 0 "[ ]" 1
1255 2 27 GLU H 2 27 GLU HB3 0.000 . 2.700 2.752 2.752 2.752 0.052 1 0 "[ ]" 1
1256 2 27 GLU H 2 27 GLU HB2 0.000 . 2.700 2.308 2.308 2.308 . 0 0 "[ ]" 1
1257 2 28 LEU HA 2 28 LEU HB3 3.200 2.700 4.200 2.991 2.991 2.991 . 0 0 "[ ]" 1
1258 2 28 LEU HA 2 28 LEU HB2 0.000 . 2.700 2.659 2.659 2.659 . 0 0 "[ ]" 1
1259 2 28 LEU H 2 28 LEU HA 3.200 2.600 4.200 2.909 2.909 2.909 . 0 0 "[ ]" 1
1260 2 28 LEU H 2 28 LEU HB3 0.000 . 2.700 2.748 2.748 2.748 0.048 1 0 "[ ]" 1
1261 2 28 LEU H 2 28 LEU HB2 0.000 . 2.700 2.142 2.142 2.142 . 0 0 "[ ]" 1
1262 2 29 PRO HA 2 29 PRO HB3 0.000 . 2.700 2.289 2.289 2.289 . 0 0 "[ ]" 1
1263 2 29 PRO HA 2 29 PRO HB2 0.000 . 2.700 2.744 2.744 2.744 0.044 1 0 "[ ]" 1
1264 2 29 PRO HA 2 29 PRO QD 0.000 . 4.000 3.363 3.363 3.363 . 0 0 "[ ]" 1
1265 2 30 ASP H 2 30 ASP HA 3.200 2.600 4.200 2.816 2.816 2.816 . 0 0 "[ ]" 1
1266 2 30 ASP H 2 30 ASP QB 0.000 . 3.500 2.164 2.164 2.164 . 0 0 "[ ]" 1
1267 2 31 HIS HB3 2 31 HIS HD2 0.000 . 3.200 3.222 3.222 3.222 0.022 1 0 "[ ]" 1
1268 2 31 HIS HB2 2 31 HIS HD2 0.000 . 3.200 2.951 2.951 2.951 . 0 0 "[ ]" 1
1269 2 31 HIS H 2 31 HIS HA 3.200 2.600 4.200 2.940 2.940 2.940 . 0 0 "[ ]" 1
1270 2 31 HIS H 2 31 HIS HB3 0.000 . 3.200 2.568 2.568 2.568 . 0 0 "[ ]" 1
1271 2 31 HIS H 2 31 HIS HB2 0.000 . 4.000 3.592 3.592 3.592 . 0 0 "[ ]" 1
1272 2 32 MET H 2 32 MET QG 0.000 . 3.500 2.817 2.817 2.817 . 0 0 "[ ]" 1
1273 2 32 MET H 2 32 MET HA 3.200 2.600 4.200 3.003 3.003 3.003 . 0 0 "[ ]" 1
1274 2 32 MET H 2 32 MET QB 0.000 . 3.500 2.405 2.405 2.405 . 0 0 "[ ]" 1
1275 2 33 LEU H 2 33 LEU QD 0.000 . 4.700 3.194 3.194 3.194 . 0 0 "[ ]" 1
1276 2 33 LEU H 2 33 LEU HG 0.000 . 2.700 2.609 2.609 2.609 . 0 0 "[ ]" 1
1277 2 33 LEU H 2 33 LEU HA 3.200 2.600 4.200 2.897 2.897 2.897 . 0 0 "[ ]" 1
1278 2 33 LEU H 2 33 LEU QB 0.000 . 3.500 2.121 2.121 2.121 . 0 0 "[ ]" 1
1279 2 34 ASP H 2 34 ASP HA 3.200 2.600 4.200 2.956 2.956 2.956 . 0 0 "[ ]" 1
1280 2 34 ASP H 2 34 ASP QB 0.000 . 3.500 2.205 2.205 2.205 . 0 0 "[ ]" 1
1281 2 36 LEU H 2 36 LEU HA 3.200 2.600 4.200 2.817 2.817 2.817 . 0 0 "[ ]" 1
1282 2 36 LEU H 2 36 LEU HB3 0.000 . 2.700 2.619 2.619 2.619 . 0 0 "[ ]" 1
1283 2 36 LEU H 2 36 LEU HB2 0.000 . 2.700 2.285 2.285 2.285 . 0 0 "[ ]" 1
1284 2 37 GLU H 2 37 GLU HA 3.200 2.600 4.200 2.982 2.982 2.982 . 0 0 "[ ]" 1
1285 2 37 GLU H 2 37 GLU QB 0.000 . 3.500 2.980 2.980 2.980 . 0 0 "[ ]" 1
1286 2 37 GLU H 2 37 GLU QG 0.000 . 3.500 2.175 2.175 2.175 . 0 0 "[ ]" 1
1287 2 38 THR H 2 38 THR HA 3.200 2.600 4.200 2.892 2.892 2.892 . 0 0 "[ ]" 1
1288 2 38 THR H 2 38 THR HB 0.000 . 4.000 3.313 3.313 3.313 . 0 0 "[ ]" 1
1289 2 40 ALA H 2 40 ALA HA 3.200 2.600 4.200 2.937 2.937 2.937 . 0 0 "[ ]" 1
1290 2 40 ALA H 2 40 ALA MB 0.000 . 3.500 2.069 2.069 2.069 . 0 0 "[ ]" 1
1291 2 41 SER HA 2 41 SER HB3 0.000 . 2.700 2.296 2.296 2.296 . 0 0 "[ ]" 1
1292 2 41 SER HA 2 41 SER HB2 0.000 . 2.700 2.701 2.701 2.701 0.001 1 0 "[ ]" 1
1293 2 41 SER H 2 41 SER HA 3.200 2.600 4.200 2.982 2.982 2.982 . 0 0 "[ ]" 1
1294 2 41 SER H 2 41 SER HB3 0.000 . 3.200 3.208 3.208 3.208 0.008 1 0 "[ ]" 1
1295 2 41 SER H 2 41 SER HB2 0.000 . 4.000 3.441 3.441 3.441 . 0 0 "[ ]" 1
1296 2 42 VAL H 2 42 VAL HA 3.200 2.600 4.200 2.991 2.991 2.991 . 0 0 "[ ]" 1
1297 2 42 VAL H 2 42 VAL HB 0.000 . 3.200 2.186 2.186 2.186 . 0 0 "[ ]" 1
1298 2 43 ALA H 2 43 ALA HA 3.200 2.600 4.200 2.975 2.975 2.975 . 0 0 "[ ]" 1
1299 2 43 ALA H 2 43 ALA MB 0.000 . 3.500 2.259 2.259 2.259 . 0 0 "[ ]" 1
1300 2 44 HIS H 2 44 HIS HA 3.200 2.600 4.200 2.966 2.966 2.966 . 0 0 "[ ]" 1
1301 2 44 HIS H 2 44 HIS HD1 0.000 . 3.200 2.870 2.870 2.870 . 0 0 "[ ]" 1
1302 2 45 ASN HA 2 45 ASN HB3 3.200 2.700 4.200 2.974 2.974 2.974 . 0 0 "[ ]" 1
1303 2 45 ASN HA 2 45 ASN HB2 0.000 . 2.700 2.698 2.698 2.698 . 0 0 "[ ]" 1
1304 2 45 ASN HA 2 45 ASN HD21 4.000 3.200 5.000 3.190 3.190 3.190 0.010 1 0 "[ ]" 1
1305 2 45 ASN HB2 2 45 ASN HD21 0.000 . 2.700 2.299 2.299 2.299 . 0 0 "[ ]" 1
1306 2 45 ASN H 2 45 ASN HA 0.000 . 2.700 2.336 2.336 2.336 . 0 0 "[ ]" 1
1307 2 47 CYS H 2 47 CYS HB3 0.000 . 3.200 2.567 2.567 2.567 . 0 0 "[ ]" 1
1308 2 47 CYS H 2 47 CYS HB2 0.000 . 3.200 2.705 2.705 2.705 . 0 0 "[ ]" 1
1309 2 47 CYS H 2 47 CYS HA 3.200 2.600 4.200 2.996 2.996 2.996 . 0 0 "[ ]" 1
1310 2 48 CYS H 2 48 CYS HA 3.200 2.600 4.200 2.881 2.881 2.881 . 0 0 "[ ]" 1
1311 2 49 LEU H 2 49 LEU HA 3.200 2.600 4.200 2.976 2.976 2.976 . 0 0 "[ ]" 1
1312 2 49 LEU H 2 49 LEU HB2 0.000 . 4.000 3.757 3.757 3.757 . 0 0 "[ ]" 1
1313 2 49 LEU H 2 49 LEU MD2 0.000 . 4.800 2.283 2.283 2.283 . 0 0 "[ ]" 1
1314 2 50 THR HA 2 50 THR HB 3.200 2.700 4.200 3.036 3.036 3.036 . 0 0 "[ ]" 1
1315 2 50 THR HA 2 50 THR MG 0.000 . 3.500 2.382 2.382 2.382 . 0 0 "[ ]" 1
1316 2 50 THR H 2 50 THR HA 3.200 2.600 4.200 2.977 2.977 2.977 . 0 0 "[ ]" 1
1317 2 50 THR H 2 50 THR HB 0.000 . 3.200 2.480 2.480 2.480 . 0 0 "[ ]" 1
1318 2 50 THR H 2 50 THR MG 0.000 . 4.800 3.781 3.781 3.781 . 0 0 "[ ]" 1
1319 2 51 VAL HA 2 51 VAL HB 3.200 2.700 4.200 3.034 3.034 3.034 . 0 0 "[ ]" 1
1320 2 51 VAL HA 2 51 VAL MG1 0.000 . 3.500 2.205 2.205 2.205 . 0 0 "[ ]" 1
1321 2 51 VAL HA 2 51 VAL MG2 0.000 . 3.500 2.416 2.416 2.416 . 0 0 "[ ]" 1
1322 2 51 VAL H 2 51 VAL HA 3.200 2.600 4.200 2.919 2.919 2.919 . 0 0 "[ ]" 1
1323 2 51 VAL H 2 51 VAL HB 0.000 . 3.200 2.489 2.489 2.489 . 0 0 "[ ]" 1
1324 2 51 VAL H 2 51 VAL MG1 0.000 . 4.800 3.703 3.703 3.703 . 0 0 "[ ]" 1
1325 2 51 VAL H 2 51 VAL MG2 0.000 . 4.000 2.079 2.079 2.079 . 0 0 "[ ]" 1
1326 2 52 THR HA 2 52 THR MG 0.000 . 3.500 2.367 2.367 2.367 . 0 0 "[ ]" 1
1327 2 52 THR H 2 52 THR MG 0.000 . 3.500 1.911 1.911 1.911 . 0 0 "[ ]" 1
1328 2 52 THR H 2 52 THR HA 3.200 2.600 4.200 2.901 2.901 2.901 . 0 0 "[ ]" 1
1329 2 52 THR H 2 52 THR HB 0.000 . 4.000 3.534 3.534 3.534 . 0 0 "[ ]" 1
1330 2 53 GLU H 2 53 GLU HA 3.200 2.600 4.200 2.938 2.938 2.938 . 0 0 "[ ]" 1
1331 2 53 GLU HA 2 53 GLU QG 0.000 . 3.500 2.411 2.411 2.411 . 0 0 "[ ]" 1
1332 2 53 GLU H 2 53 GLU QB 0.000 . 3.500 2.759 2.759 2.759 . 0 0 "[ ]" 1
1333 2 53 GLU H 2 53 GLU QG 0.000 . 4.800 4.136 4.136 4.136 . 0 0 "[ ]" 1
1334 2 54 ILE HA 2 54 ILE HB 3.200 2.700 4.200 3.038 3.038 3.038 . 0 0 "[ ]" 1
1335 2 54 ILE HB 2 54 ILE MD 0.000 . 3.500 2.075 2.075 2.075 . 0 0 "[ ]" 1
1336 2 54 ILE HA 2 54 ILE MG 0.000 . 3.500 2.372 2.372 2.372 . 0 0 "[ ]" 1
1337 2 54 ILE H 2 54 ILE HA 3.200 2.600 4.200 3.005 3.005 3.005 . 0 0 "[ ]" 1
1338 2 54 ILE H 2 54 ILE HB 0.000 . 2.700 2.368 2.368 2.368 . 0 0 "[ ]" 1
1339 2 54 ILE H 2 54 ILE MD 0.000 . 4.800 3.243 3.243 3.243 . 0 0 "[ ]" 1
1340 2 54 ILE H 2 54 ILE QG 0.000 . 4.000 2.881 2.881 2.881 . 0 0 "[ ]" 1
1341 2 54 ILE H 2 54 ILE MG 0.000 . 4.800 3.729 3.729 3.729 . 0 0 "[ ]" 1
1342 2 55 ASN H 2 55 ASN HA 3.200 2.600 4.200 2.996 2.996 2.996 . 0 0 "[ ]" 1
1343 2 55 ASN H 2 55 ASN HB3 0.000 . 4.000 3.564 3.564 3.564 . 0 0 "[ ]" 1
1344 2 55 ASN H 2 55 ASN HB2 0.000 . 3.200 2.260 2.260 2.260 . 0 0 "[ ]" 1
1345 2 57 ASN HA 2 57 ASN HB3 0.000 . 2.700 2.758 2.758 2.758 0.058 1 0 "[ ]" 1
1346 2 57 ASN HA 2 57 ASN HB2 0.000 . 2.700 2.270 2.270 2.270 . 0 0 "[ ]" 1
1347 2 57 ASN HA 2 57 ASN HD21 0.000 . 3.200 3.245 3.245 3.245 0.045 1 0 "[ ]" 1
1348 2 57 ASN H 2 57 ASN HA 3.200 2.600 4.200 2.931 2.931 2.931 . 0 0 "[ ]" 1
1349 2 57 ASN H 2 57 ASN HB3 0.000 . 3.200 2.100 2.100 2.100 . 0 0 "[ ]" 1
1350 2 57 ASN H 2 57 ASN HB2 0.000 . 4.000 3.448 3.448 3.448 . 0 0 "[ ]" 1
1351 2 57 ASN H 2 57 ASN QD 0.000 . 4.800 4.284 4.284 4.284 . 0 0 "[ ]" 1
1352 2 58 HIS HA 2 58 HIS HD2 0.000 . 3.200 2.348 2.348 2.348 . 0 0 "[ ]" 1
1353 2 58 HIS HB3 2 58 HIS HD2 0.000 . 4.000 3.262 3.262 3.262 . 0 0 "[ ]" 1
1354 2 58 HIS HB2 2 58 HIS HD2 4.000 3.200 5.000 4.006 4.006 4.006 . 0 0 "[ ]" 1
1355 2 58 HIS H 2 58 HIS HA 3.200 2.600 4.200 2.899 2.899 2.899 . 0 0 "[ ]" 1
1356 2 58 HIS H 2 58 HIS HB3 3.200 2.700 4.200 3.472 3.472 3.472 . 0 0 "[ ]" 1
1357 2 58 HIS H 2 58 HIS HB2 0.000 . 3.200 2.125 2.125 2.125 . 0 0 "[ ]" 1
1358 2 59 VAL HA 2 59 VAL MG1 0.000 . 3.500 2.405 2.405 2.405 . 0 0 "[ ]" 1
1359 2 59 VAL H 2 59 VAL HA 3.200 2.600 4.200 2.969 2.969 2.969 . 0 0 "[ ]" 1
1360 2 59 VAL H 2 59 VAL HB 0.000 . 3.200 2.688 2.688 2.688 . 0 0 "[ ]" 1
1361 2 60 SER H 2 60 SER HA 3.200 2.600 4.200 2.960 2.960 2.960 . 0 0 "[ ]" 1
1362 2 61 PHE H 2 61 PHE HA 3.200 2.600 4.200 3.010 3.010 3.010 . 0 0 "[ ]" 1
1363 2 62 ASP H 2 62 ASP HA 3.200 2.600 4.200 2.967 2.967 2.967 . 0 0 "[ ]" 1
1364 2 62 ASP H 2 62 ASP QB 0.000 . 3.500 2.654 2.654 2.654 . 0 0 "[ ]" 1
1365 2 63 LEU H 2 63 LEU HA 3.200 2.600 4.200 2.969 2.969 2.969 . 0 0 "[ ]" 1
1366 2 64 MET H 2 64 MET HA 3.200 2.600 4.200 2.910 2.910 2.910 . 0 0 "[ ]" 1
1367 2 64 MET H 2 64 MET QB 0.000 . 3.500 2.205 2.205 2.205 . 0 0 "[ ]" 1
1368 2 65 LYS HA 2 65 LYS QG 0.000 . 4.000 2.407 2.407 2.407 . 0 0 "[ ]" 1
1369 2 65 LYS H 2 65 LYS HA 3.200 2.600 4.200 2.830 2.830 2.830 . 0 0 "[ ]" 1
1370 2 65 LYS H 2 65 LYS QB 0.000 . 3.500 2.170 2.170 2.170 . 0 0 "[ ]" 1
1371 2 65 LYS H 2 65 LYS QG 0.000 . 4.800 3.917 3.917 3.917 . 0 0 "[ ]" 1
1372 2 66 GLU HA 2 66 GLU QG 0.000 . 3.500 2.417 2.417 2.417 . 0 0 "[ ]" 1
1373 2 66 GLU H 2 66 GLU HA 3.200 2.600 4.200 2.894 2.894 2.894 . 0 0 "[ ]" 1
1374 2 66 GLU H 2 66 GLU QG 0.000 . 4.800 3.926 3.926 3.926 . 0 0 "[ ]" 1
1375 2 67 THR HA 2 67 THR HB 3.200 2.700 4.200 3.038 3.038 3.038 . 0 0 "[ ]" 1
1376 2 67 THR HA 2 67 THR MG 0.000 . 3.500 2.274 2.274 2.274 . 0 0 "[ ]" 1
1377 2 67 THR H 2 67 THR HA 3.200 2.600 4.200 2.888 2.888 2.888 . 0 0 "[ ]" 1
1378 2 67 THR H 2 67 THR HB 0.000 . 2.700 2.433 2.433 2.433 . 0 0 "[ ]" 1
1379 2 67 THR H 2 67 THR MG 0.000 . 4.800 3.718 3.718 3.718 . 0 0 "[ ]" 1
1380 2 68 LEU H 2 68 LEU HA 3.200 2.600 4.200 2.838 2.838 2.838 . 0 0 "[ ]" 1
1381 2 68 LEU H 2 68 LEU HB3 0.000 . 2.700 2.497 2.497 2.497 . 0 0 "[ ]" 1
1382 2 68 LEU H 2 68 LEU HB2 0.000 . 2.700 2.256 2.256 2.256 . 0 0 "[ ]" 1
1383 2 68 LEU H 2 68 LEU MD1 0.000 . 4.800 3.830 3.830 3.830 . 0 0 "[ ]" 1
1384 2 68 LEU H 2 68 LEU MD2 0.000 . 4.800 4.045 4.045 4.045 . 0 0 "[ ]" 1
1385 2 69 ARG H 2 69 ARG HA 3.200 2.600 4.200 2.915 2.915 2.915 . 0 0 "[ ]" 1
1386 2 69 ARG H 2 69 ARG QB 0.000 . 3.500 2.130 2.130 2.130 . 0 0 "[ ]" 1
1387 2 69 ARG H 2 69 ARG QD 0.000 . 4.800 4.301 4.301 4.301 . 0 0 "[ ]" 1
1388 2 70 ILE HA 2 70 ILE QG 0.000 . 4.000 2.090 2.090 2.090 . 0 0 "[ ]" 1
1389 2 70 ILE HA 2 70 ILE HB 0.000 . 2.700 2.750 2.750 2.750 0.050 1 0 "[ ]" 1
1390 2 70 ILE HA 2 70 ILE MG 4.000 3.500 5.000 3.104 3.104 3.104 0.396 1 0 "[ ]" 1
1391 2 70 ILE H 2 70 ILE HA 3.200 2.600 4.200 2.843 2.843 2.843 . 0 0 "[ ]" 1
1392 2 70 ILE H 2 70 ILE HB 0.000 . 2.700 1.934 1.934 1.934 . 0 0 "[ ]" 1
1393 2 70 ILE H 2 70 ILE MD 0.000 . 4.800 3.825 3.825 3.825 . 0 0 "[ ]" 1
1394 2 70 ILE H 2 70 ILE QG 0.000 . 4.000 3.582 3.582 3.582 . 0 0 "[ ]" 1
1395 2 70 ILE H 2 70 ILE MG 0.000 . 4.800 2.938 2.938 2.938 . 0 0 "[ ]" 1
1396 2 71 THR HA 2 71 THR HB 0.000 . 2.700 2.399 2.399 2.399 . 0 0 "[ ]" 1
1397 2 71 THR HA 2 71 THR MG 0.000 . 3.500 2.466 2.466 2.466 . 0 0 "[ ]" 1
1398 2 71 THR H 2 71 THR HA 3.200 2.600 4.200 2.960 2.960 2.960 . 0 0 "[ ]" 1
1399 2 71 THR H 2 71 THR HB 0.000 . 4.000 3.584 3.584 3.584 . 0 0 "[ ]" 1
1400 2 71 THR H 2 71 THR MG 0.000 . 4.000 2.177 2.177 2.177 . 0 0 "[ ]" 1
1401 2 72 ASN HB3 2 72 ASN HD21 0.000 . 3.200 2.285 2.285 2.285 . 0 0 "[ ]" 1
1402 2 72 ASN HB2 2 72 ASN HD21 0.000 . 3.200 3.132 3.132 3.132 . 0 0 "[ ]" 1
1403 2 72 ASN H 2 72 ASN HA 3.200 2.600 4.200 2.985 2.985 2.985 . 0 0 "[ ]" 1
1404 2 72 ASN H 2 72 ASN HB3 0.000 . 3.200 2.195 2.195 2.195 . 0 0 "[ ]" 1
1405 2 72 ASN H 2 72 ASN HB2 0.000 . 3.200 3.189 3.189 3.189 . 0 0 "[ ]" 1
1406 2 73 LEU HA 2 73 LEU QD 0.000 . 4.200 1.968 1.968 1.968 . 0 0 "[ ]" 1
1407 2 73 LEU H 2 73 LEU HA 3.200 2.600 4.200 2.903 2.903 2.903 . 0 0 "[ ]" 1
1408 2 73 LEU H 2 73 LEU QB 0.000 . 3.500 2.243 2.243 2.243 . 0 0 "[ ]" 1
1409 2 73 LEU H 2 73 LEU QD 0.000 . 4.700 3.107 3.107 3.107 . 0 0 "[ ]" 1
1410 2 73 LEU H 2 73 LEU HG 0.000 . 2.700 2.265 2.265 2.265 . 0 0 "[ ]" 1
1411 2 74 GLY H 2 74 GLY HA3 0.000 . 2.700 2.348 2.348 2.348 . 0 0 "[ ]" 1
1412 2 74 GLY H 2 74 GLY HA2 0.000 . 2.700 2.755 2.755 2.755 0.055 1 0 "[ ]" 1
1413 2 75 ASP H 2 75 ASP HB3 0.000 . 3.200 2.304 2.304 2.304 . 0 0 "[ ]" 1
1414 2 75 ASP H 2 75 ASP HB2 0.000 . 4.000 3.514 3.514 3.514 . 0 0 "[ ]" 1
1415 2 75 ASP H 2 75 ASP HA 3.200 2.600 4.200 2.852 2.852 2.852 . 0 0 "[ ]" 1
1416 2 76 LEU HA 2 76 LEU QD 0.000 . 4.200 1.894 1.894 1.894 . 0 0 "[ ]" 1
1417 2 76 LEU HA 2 76 LEU HG 0.000 . 3.200 2.883 2.883 2.883 . 0 0 "[ ]" 1
1418 2 76 LEU H 2 76 LEU HA 3.200 2.600 4.200 2.837 2.837 2.837 . 0 0 "[ ]" 1
1419 2 76 LEU H 2 76 LEU HB3 0.000 . 4.000 3.536 3.536 3.536 . 0 0 "[ ]" 1
1420 2 76 LEU H 2 76 LEU HB2 0.000 . 3.200 2.401 2.401 2.401 . 0 0 "[ ]" 1
1421 2 76 LEU H 2 76 LEU QD 0.000 . 4.700 2.985 2.985 2.985 . 0 0 "[ ]" 1
1422 2 76 LEU H 2 76 LEU HG 0.000 . 2.700 1.979 1.979 1.979 . 0 0 "[ ]" 1
1423 2 77 LYS HA 2 77 LYS QE 0.000 . 5.800 4.487 4.487 4.487 . 0 0 "[ ]" 1
1424 2 77 LYS HA 2 77 LYS QG 0.000 . 3.500 2.317 2.317 2.317 . 0 0 "[ ]" 1
1425 2 77 LYS H 2 77 LYS HA 3.200 2.600 4.200 2.965 2.965 2.965 . 0 0 "[ ]" 1
1426 2 77 LYS H 2 77 LYS QD 0.000 . 5.800 4.464 4.464 4.464 . 0 0 "[ ]" 1
1427 2 77 LYS H 2 77 LYS QG 0.000 . 4.000 3.146 3.146 3.146 . 0 0 "[ ]" 1
1428 2 78 VAL HA 2 78 VAL HB 3.200 2.700 4.200 3.030 3.030 3.030 . 0 0 "[ ]" 1
1429 2 78 VAL HA 2 78 VAL MG1 0.000 . 3.500 2.191 2.191 2.191 . 0 0 "[ ]" 1
1430 2 78 VAL HA 2 78 VAL MG2 0.000 . 3.500 2.418 2.418 2.418 . 0 0 "[ ]" 1
1431 2 78 VAL H 2 78 VAL HA 3.200 2.600 4.200 2.830 2.830 2.830 . 0 0 "[ ]" 1
1432 2 78 VAL H 2 78 VAL HB 0.000 . 2.700 2.599 2.599 2.599 . 0 0 "[ ]" 1
1433 2 78 VAL H 2 78 VAL MG1 0.000 . 4.800 3.697 3.697 3.697 . 0 0 "[ ]" 1
1434 2 78 VAL H 2 78 VAL MG2 0.000 . 4.000 1.843 1.843 1.843 . 0 0 "[ ]" 1
1435 2 80 ASP H 2 80 ASP HA 3.200 2.600 4.200 2.988 2.988 2.988 . 0 0 "[ ]" 1
1436 2 80 ASP H 2 80 ASP HB3 0.000 . 2.700 2.598 2.598 2.598 . 0 0 "[ ]" 1
1437 2 80 ASP H 2 80 ASP HB2 0.000 . 2.700 2.564 2.564 2.564 . 0 0 "[ ]" 1
1438 2 81 TRP HA 2 81 TRP HB3 0.000 . 2.700 2.571 2.571 2.571 . 0 0 "[ ]" 1
1439 2 81 TRP HA 2 81 TRP HB2 3.200 2.700 4.200 3.024 3.024 3.024 . 0 0 "[ ]" 1
1440 2 81 TRP HA 2 81 TRP HD1 0.000 . 4.000 3.205 3.205 3.205 . 0 0 "[ ]" 1
1441 2 81 TRP HB3 2 81 TRP HD1 4.000 3.200 5.000 3.880 3.880 3.880 . 0 0 "[ ]" 1
1442 2 81 TRP HB2 2 81 TRP HD1 0.000 . 3.200 2.983 2.983 2.983 . 0 0 "[ ]" 1
1443 2 81 TRP H 2 81 TRP HD1 0.000 . 2.700 2.653 2.653 2.653 . 0 0 "[ ]" 1
1444 2 81 TRP H 2 81 TRP HA 3.200 2.600 4.200 3.003 3.003 3.003 . 0 0 "[ ]" 1
1445 2 81 TRP H 2 81 TRP HB3 0.000 . 4.000 3.658 3.658 3.658 . 0 0 "[ ]" 1
1446 2 81 TRP H 2 81 TRP HB2 0.000 . 3.200 2.410 2.410 2.410 . 0 0 "[ ]" 1
1447 2 82 VAL H 2 82 VAL HA 3.200 2.600 4.200 3.000 3.000 3.000 . 0 0 "[ ]" 1
1448 2 82 VAL H 2 82 VAL HB 0.000 . 4.000 3.276 3.276 3.276 . 0 0 "[ ]" 1
1449 2 82 VAL H 2 82 VAL MG1 0.000 . 4.000 1.817 1.817 1.817 . 0 0 "[ ]" 1
1450 2 82 VAL H 2 82 VAL MG2 0.000 . 4.800 3.699 3.699 3.699 . 0 0 "[ ]" 1
1451 2 82 VAL HA 2 82 VAL MG2 0.000 . 3.500 2.500 2.500 2.500 . 0 0 "[ ]" 1
1452 2 83 ASN HB3 2 83 ASN HD21 0.000 . 3.200 2.499 2.499 2.499 . 0 0 "[ ]" 1
1453 2 83 ASN H 2 83 ASN HA 3.200 2.600 4.200 2.962 2.962 2.962 . 0 0 "[ ]" 1
1454 2 84 VAL HA 2 84 VAL HB 0.000 . 2.700 2.677 2.677 2.677 . 0 0 "[ ]" 1
1455 2 84 VAL H 2 84 VAL HA 3.200 2.600 4.200 2.985 2.985 2.985 . 0 0 "[ ]" 1
1456 2 84 VAL H 2 84 VAL QG 0.000 . 4.200 1.801 1.801 1.801 . 0 0 "[ ]" 1
1457 2 85 GLU H 2 85 GLU HA 3.200 2.600 4.200 3.001 3.001 3.001 . 0 0 "[ ]" 1
1458 2 86 ARG H 2 86 ARG HA 3.200 2.600 4.200 2.916 2.916 2.916 . 0 0 "[ ]" 1
1459 2 86 ARG H 2 86 ARG QB 0.000 . 3.500 2.386 2.386 2.386 . 0 0 "[ ]" 1
1460 2 86 ARG H 2 86 ARG QG 0.000 . 4.800 1.947 1.947 1.947 . 0 0 "[ ]" 1
1461 2 87 ALA H 2 87 ALA HA 3.200 2.600 4.200 3.008 3.008 3.008 . 0 0 "[ ]" 1
1462 2 87 ALA H 2 87 ALA MB 0.000 . 3.500 2.464 2.464 2.464 . 0 0 "[ ]" 1
1463 2 88 ALA H 2 88 ALA HA 3.200 2.600 4.200 3.002 3.002 3.002 . 0 0 "[ ]" 1
1464 2 88 ALA H 2 88 ALA MB 0.000 . 3.500 2.362 2.362 2.362 . 0 0 "[ ]" 1
1465 2 89 LYS HA 2 89 LYS QG 0.000 . 4.000 2.957 2.957 2.957 . 0 0 "[ ]" 1
1466 2 89 LYS H 2 89 LYS HA 3.200 2.600 4.200 2.891 2.891 2.891 . 0 0 "[ ]" 1
1467 2 89 LYS H 2 89 LYS QG 0.000 . 4.800 2.007 2.007 2.007 . 0 0 "[ ]" 1
1468 2 90 PHE H 2 90 PHE HA 3.200 2.600 4.200 2.972 2.972 2.972 . 0 0 "[ ]" 1
1469 2 90 PHE H 2 90 PHE HB3 0.000 . 3.200 3.212 3.212 3.212 0.012 1 0 "[ ]" 1
1470 2 90 PHE H 2 90 PHE HB2 0.000 . 4.000 3.877 3.877 3.877 . 0 0 "[ ]" 1
1471 2 91 SER H 2 91 SER HA 3.200 2.600 4.200 2.975 2.975 2.975 . 0 0 "[ ]" 1
1472 2 91 SER H 2 91 SER QB 0.000 . 3.500 2.611 2.611 2.611 . 0 0 "[ ]" 1
1473 2 92 ASP H 2 92 ASP HA 3.200 2.600 4.200 2.873 2.873 2.873 . 0 0 "[ ]" 1
1474 2 92 ASP H 2 92 ASP QB 0.000 . 3.500 2.242 2.242 2.242 . 0 0 "[ ]" 1
1475 2 93 GLU H 2 93 GLU HA 3.200 2.600 4.200 2.946 2.946 2.946 . 0 0 "[ ]" 1
1476 2 93 GLU H 2 93 GLU QB 0.000 . 3.500 2.030 2.030 2.030 . 0 0 "[ ]" 1
1477 2 93 GLU H 2 93 GLU QG 0.000 . 4.000 3.683 3.683 3.683 . 0 0 "[ ]" 1
1478 2 94 ILE HA 2 94 ILE HG13 3.200 2.700 6.200 3.674 3.674 3.674 . 0 0 "[ ]" 1
1479 2 94 ILE HA 2 94 ILE HG12 3.200 2.700 6.200 2.782 2.782 2.782 . 0 0 "[ ]" 1
1480 2 94 ILE H 2 94 ILE HA 3.200 2.600 4.200 2.915 2.915 2.915 . 0 0 "[ ]" 1
1481 2 94 ILE H 2 94 ILE HB 0.000 . 3.200 2.253 2.253 2.253 . 0 0 "[ ]" 1
1482 2 94 ILE H 2 94 ILE QG 0.000 . 4.000 2.337 2.337 2.337 . 0 0 "[ ]" 1
1483 2 94 ILE H 2 94 ILE MG 4.000 3.200 5.000 3.681 3.681 3.681 . 0 0 "[ ]" 1
1484 2 1 MET HA 2 2 PHE H 0.000 . 2.700 2.241 2.241 2.241 . 0 0 "[ ]" 1
1485 2 1 MET QB 2 2 PHE H 0.000 . 4.000 3.204 3.204 3.204 . 0 0 "[ ]" 1
1486 2 2 PHE H 2 3 THR H 4.000 3.200 6.000 4.134 4.134 4.134 . 0 0 "[ ]" 1
1487 2 2 PHE H 2 3 THR MG 0.000 . 3.500 2.988 2.988 2.988 . 0 0 "[ ]" 1
1488 2 2 PHE HA 2 3 THR H 0.000 . 2.700 2.248 2.248 2.248 . 0 0 "[ ]" 1
1489 2 2 PHE QB 2 3 THR H 0.000 . 4.000 3.139 3.139 3.139 . 0 0 "[ ]" 1
1490 2 3 THR HA 2 4 GLY H 3.200 2.700 4.200 3.545 3.545 3.545 . 0 0 "[ ]" 1
1491 2 3 THR MG 2 4 GLY H 0.000 . 4.800 3.804 3.804 3.804 . 0 0 "[ ]" 1
1492 2 3 THR H 2 4 GLY H 0.000 . 3.200 1.859 1.859 1.859 . 0 0 "[ ]" 1
1493 2 4 GLY H 2 5 ILE H 0.000 . 3.200 2.707 2.707 2.707 . 0 0 "[ ]" 1
1494 2 4 GLY QA 2 5 ILE HA 0.000 . 4.800 4.123 4.123 4.123 . 0 0 "[ ]" 1
1495 2 4 GLY QA 2 5 ILE H 0.000 . 4.800 2.898 2.898 2.898 . 0 0 "[ ]" 1
1496 2 5 ILE H 2 6 VAL H 4.000 3.200 6.000 4.585 4.585 4.585 . 0 0 "[ ]" 1
1497 2 6 VAL HA 2 7 GLN QG 0.000 . 4.800 3.726 3.726 3.726 . 0 0 "[ ]" 1
1498 2 5 ILE HA 2 6 VAL H 0.000 . 2.700 2.211 2.211 2.211 . 0 0 "[ ]" 1
1499 2 6 VAL H 2 7 GLN H 4.000 3.200 6.000 4.590 4.590 4.590 . 0 0 "[ ]" 1
1500 2 6 VAL MG1 2 7 GLN HA 0.000 . 4.800 3.894 3.894 3.894 . 0 0 "[ ]" 1
1501 2 6 VAL HA 2 7 GLN H 0.000 . 2.700 2.202 2.202 2.202 . 0 0 "[ ]" 1
1502 2 7 GLN H 2 8 GLY H 0.000 . 3.200 2.614 2.614 2.614 . 0 0 "[ ]" 1
1503 2 7 GLN HA 2 8 GLY H 0.000 . 4.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
1504 2 7 GLN QB 2 8 GLY H 0.000 . 4.800 2.776 2.776 2.776 . 0 0 "[ ]" 1
1505 2 8 GLY H 2 9 THR H 4.000 3.200 6.000 4.441 4.441 4.441 . 0 0 "[ ]" 1
1506 2 8 GLY QA 2 9 THR H 0.000 . 3.500 2.315 2.315 2.315 . 0 0 "[ ]" 1
1507 2 9 THR H 2 10 ALA H 4.000 3.200 6.000 4.488 4.488 4.488 . 0 0 "[ ]" 1
1508 2 9 THR HA 2 10 ALA H 0.000 . 2.700 2.460 2.460 2.460 . 0 0 "[ ]" 1
1509 2 9 THR HB 2 10 ALA H 0.000 . 3.200 2.452 2.452 2.452 . 0 0 "[ ]" 1
1510 2 9 THR MG 2 10 ALA H 0.000 . 4.800 3.619 3.619 3.619 . 0 0 "[ ]" 1
1511 2 10 ALA HA 2 11 LYS H 0.000 . 2.700 2.300 2.300 2.300 . 0 0 "[ ]" 1
1512 2 10 ALA MB 2 11 LYS H 0.000 . 3.500 2.938 2.938 2.938 . 0 0 "[ ]" 1
1513 2 10 ALA H 2 11 LYS H 4.000 3.200 6.000 4.440 4.440 4.440 . 0 0 "[ ]" 1
1514 2 11 LYS H 2 12 LEU H 4.000 3.200 6.000 4.345 4.345 4.345 . 0 0 "[ ]" 1
1515 2 11 LYS HA 2 12 LEU H 0.000 . 2.700 2.215 2.215 2.215 . 0 0 "[ ]" 1
1516 2 11 LYS QB 2 12 LEU H 0.000 . 4.800 3.921 3.921 3.921 . 0 0 "[ ]" 1
1517 2 12 LEU H 2 13 VAL H 4.000 3.200 6.000 4.541 4.541 4.541 . 0 0 "[ ]" 1
1518 2 12 LEU HA 2 13 VAL MG1 0.000 . 4.000 3.377 3.377 3.377 . 0 0 "[ ]" 1
1519 2 13 VAL MG1 2 14 SER QB 0.000 . 5.600 2.754 2.754 2.754 . 0 0 "[ ]" 1
1520 2 12 LEU HA 2 13 VAL H 0.000 . 2.700 2.187 2.187 2.187 . 0 0 "[ ]" 1
1521 2 12 LEU HB3 2 13 VAL H 0.000 . 4.000 4.047 4.047 4.047 0.047 1 0 "[ ]" 1
1522 2 12 LEU HB2 2 13 VAL H 0.000 . 5.000 4.459 4.459 4.459 . 0 0 "[ ]" 1
1523 2 12 LEU QD 2 13 VAL H 0.000 . 5.500 2.639 2.639 2.639 . 0 0 "[ ]" 1
1524 2 13 VAL MG2 2 14 SER QB 0.000 . 4.800 2.553 2.553 2.553 . 0 0 "[ ]" 1
1525 2 13 VAL MG1 2 14 SER HB3 0.000 . 4.800 3.713 3.713 3.713 . 0 0 "[ ]" 1
1526 2 13 VAL MG1 2 14 SER HB2 0.000 . 4.800 2.839 2.839 2.839 . 0 0 "[ ]" 1
1527 2 13 VAL HA 2 14 SER H 3.200 2.700 4.200 3.514 3.514 3.514 . 0 0 "[ ]" 1
1528 2 13 VAL HB 2 14 SER H 0.000 . 4.000 4.063 4.063 4.063 0.063 1 0 "[ ]" 1
1529 2 13 VAL MG1 2 14 SER H 0.000 . 4.000 1.850 1.850 1.850 . 0 0 "[ ]" 1
1530 2 13 VAL MG2 2 14 SER H 0.000 . 4.000 3.359 3.359 3.359 . 0 0 "[ ]" 1
1531 2 13 VAL H 2 14 SER H 0.000 . 2.700 1.872 1.872 1.872 . 0 0 "[ ]" 1
1532 2 14 SER HA 2 15 ILE H 0.000 . 2.700 2.252 2.252 2.252 . 0 0 "[ ]" 1
1533 2 14 SER QB 2 15 ILE H 0.000 . 4.000 3.478 3.478 3.478 . 0 0 "[ ]" 1
1534 2 14 SER H 2 15 ILE H 4.000 3.200 6.000 4.386 4.386 4.386 . 0 0 "[ ]" 1
1535 2 15 ILE MG 2 16 ASP HA 0.000 . 4.800 4.024 4.024 4.024 . 0 0 "[ ]" 1
1536 2 15 ILE H 2 16 ASP HA 0.000 . 5.000 4.997 4.997 4.997 . 0 0 "[ ]" 1
1537 2 15 ILE HA 2 16 ASP H 0.000 . 2.700 2.192 2.192 2.192 . 0 0 "[ ]" 1
1538 2 15 ILE QG 2 16 ASP H 0.000 . 4.800 4.303 4.303 4.303 . 0 0 "[ ]" 1
1539 2 15 ILE MG 2 16 ASP H 0.000 . 4.000 2.601 2.601 2.601 . 0 0 "[ ]" 1
1540 2 15 ILE H 2 16 ASP H 4.000 3.200 6.000 4.454 4.454 4.454 . 0 0 "[ ]" 1
1541 2 16 ASP HA 2 17 GLU H 0.000 . 2.700 2.217 2.217 2.217 . 0 0 "[ ]" 1
1542 2 16 ASP QB 2 17 GLU H 0.000 . 4.000 3.571 3.571 3.571 . 0 0 "[ ]" 1
1543 2 16 ASP H 2 17 GLU H 4.000 3.200 6.000 4.272 4.272 4.272 . 0 0 "[ ]" 1
1544 2 17 GLU H 2 18 LYS QG 0.000 . 4.800 3.996 3.996 3.996 . 0 0 "[ ]" 1
1545 2 18 LYS HB3 2 19 PRO QD 0.000 . 4.000 2.983 2.983 2.983 . 0 0 "[ ]" 1
1546 2 18 LYS QD 2 19 PRO QD 0.000 . 5.600 4.196 4.196 4.196 . 0 0 "[ ]" 1
1547 2 17 GLU HA 2 18 LYS H 0.000 . 2.700 2.210 2.210 2.210 . 0 0 "[ ]" 1
1548 2 17 GLU QB 2 18 LYS H 0.000 . 4.800 3.942 3.942 3.942 . 0 0 "[ ]" 1
1549 2 17 GLU QG 2 18 LYS H 0.000 . 4.800 3.167 3.167 3.167 . 0 0 "[ ]" 1
1550 2 17 GLU H 2 18 LYS H 4.000 3.200 6.000 4.359 4.359 4.359 . 0 0 "[ ]" 1
1551 2 18 LYS H 2 19 PRO QD 0.000 . 5.800 4.223 4.223 4.223 . 0 0 "[ ]" 1
1552 2 20 ASN HD22 2 21 PHE H 0.000 . 5.000 5.014 5.014 5.014 0.014 1 0 "[ ]" 1
1553 2 19 PRO HA 2 20 ASN H 3.200 2.700 4.200 3.484 3.484 3.484 . 0 0 "[ ]" 1
1554 2 20 ASN H 2 21 PHE H 0.000 . 2.700 2.413 2.413 2.413 . 0 0 "[ ]" 1
1555 2 20 ASN HA 2 21 PHE H 3.000 3.000 4.000 3.564 3.564 3.564 . 0 0 "[ ]" 1
1556 2 20 ASN QB 2 21 PHE H 0.000 . 4.800 2.407 2.407 2.407 . 0 0 "[ ]" 1
1557 2 21 PHE HA 2 22 ARG H 0.000 . 2.700 2.331 2.331 2.331 . 0 0 "[ ]" 1
1558 2 21 PHE HB2 2 22 ARG H 0.000 . 4.000 3.934 3.934 3.934 . 0 0 "[ ]" 1
1559 2 21 PHE HB3 2 22 ARG H 0.000 . 3.200 2.986 2.986 2.986 . 0 0 "[ ]" 1
1560 2 21 PHE QD 2 22 ARG H 0.000 . 5.200 4.080 4.080 4.080 . 0 0 "[ ]" 1
1561 2 21 PHE H 2 22 ARG H 4.000 3.200 6.000 4.370 4.370 4.370 . 0 0 "[ ]" 1
1562 2 22 ARG HA 2 23 THR HB 0.000 . 5.000 4.348 4.348 4.348 . 0 0 "[ ]" 1
1563 2 23 THR HB 2 24 HIS H 0.000 . 5.000 4.170 4.170 4.170 . 0 0 "[ ]" 1
1564 2 22 ARG HA 2 23 THR H 0.000 . 2.700 2.234 2.234 2.234 . 0 0 "[ ]" 1
1565 2 22 ARG QB 2 23 THR H 0.000 . 4.000 3.603 3.603 3.603 . 0 0 "[ ]" 1
1566 2 22 ARG QG 2 23 THR H 0.000 . 4.800 2.400 2.400 2.400 . 0 0 "[ ]" 1
1567 2 22 ARG H 2 23 THR H 4.000 3.200 6.000 4.585 4.585 4.585 . 0 0 "[ ]" 1
1568 2 23 THR MG 2 24 HIS HA 0.000 . 4.800 3.583 3.583 3.583 . 0 0 "[ ]" 1
1569 2 24 HIS HA 2 25 VAL MG2 0.000 . 4.000 3.206 3.206 3.206 . 0 0 "[ ]" 1
1570 2 24 HIS HD2 2 25 VAL H 0.000 . 4.000 2.851 2.851 2.851 . 0 0 "[ ]" 1
1571 2 23 THR HA 2 24 HIS H 0.000 . 2.700 2.273 2.273 2.273 . 0 0 "[ ]" 1
1572 2 23 THR MG 2 24 HIS H 0.000 . 3.500 2.530 2.530 2.530 . 0 0 "[ ]" 1
1573 2 23 THR H 2 24 HIS H 4.000 3.200 6.000 4.431 4.431 4.431 . 0 0 "[ ]" 1
1574 2 24 HIS HA 2 25 VAL H 0.000 . 2.700 2.238 2.238 2.238 . 0 0 "[ ]" 1
1575 2 24 HIS HB3 2 25 VAL H 0.000 . 4.000 3.357 3.357 3.357 . 0 0 "[ ]" 1
1576 2 24 HIS HB2 2 25 VAL H 0.000 . 5.000 4.402 4.402 4.402 . 0 0 "[ ]" 1
1577 2 24 HIS H 2 25 VAL H 4.000 3.200 6.000 4.440 4.440 4.440 . 0 0 "[ ]" 1
1578 2 26 VAL HA 2 27 GLU H 0.000 . 2.700 2.495 2.495 2.495 . 0 0 "[ ]" 1
1579 2 26 VAL HB 2 27 GLU H 0.000 . 2.700 2.559 2.559 2.559 . 0 0 "[ ]" 1
1580 2 26 VAL MG2 2 27 GLU H 0.000 . 4.800 3.211 3.211 3.211 . 0 0 "[ ]" 1
1581 2 25 VAL HA 2 26 VAL H 0.000 . 2.700 2.169 2.169 2.169 . 0 0 "[ ]" 1
1582 2 25 VAL HB 2 26 VAL H 0.000 . 4.000 4.026 4.026 4.026 0.026 1 0 "[ ]" 1
1583 2 25 VAL H 2 26 VAL H 4.000 3.200 6.000 4.430 4.430 4.430 . 0 0 "[ ]" 1
1584 2 26 VAL H 2 27 GLU H 4.000 3.200 6.000 4.516 4.516 4.516 . 0 0 "[ ]" 1
1585 2 27 GLU H 2 28 LEU H 4.000 3.200 6.000 4.342 4.342 4.342 . 0 0 "[ ]" 1
1586 2 28 LEU HA 2 29 PRO HD3 0.000 . 2.700 2.273 2.273 2.273 . 0 0 "[ ]" 1
1587 2 28 LEU HA 2 29 PRO HD2 0.000 . 2.700 2.092 2.092 2.092 . 0 0 "[ ]" 1
1588 2 28 LEU HB3 2 29 PRO QD 0.000 . 4.800 3.800 3.800 3.800 . 0 0 "[ ]" 1
1589 2 28 LEU HB2 2 29 PRO QD 0.000 . 4.800 3.991 3.991 3.991 . 0 0 "[ ]" 1
1590 2 28 LEU QD 2 29 PRO HD3 0.000 . 4.700 2.824 2.824 2.824 . 0 0 "[ ]" 1
1591 2 28 LEU QD 2 29 PRO HD2 0.000 . 4.700 1.830 1.830 1.830 . 0 0 "[ ]" 1
1592 2 27 GLU HA 2 28 LEU H 0.000 . 2.700 2.205 2.205 2.205 . 0 0 "[ ]" 1
1593 2 27 GLU HB3 2 28 LEU H 0.000 . 4.000 4.076 4.076 4.076 0.076 1 0 "[ ]" 1
1594 2 27 GLU HB2 2 28 LEU H 0.000 . 5.000 4.590 4.590 4.590 . 0 0 "[ ]" 1
1595 2 28 LEU H 2 29 PRO QD 0.000 . 5.800 4.306 4.306 4.306 . 0 0 "[ ]" 1
1596 2 29 PRO HA 2 30 ASP H 0.000 . 2.700 2.527 2.527 2.527 . 0 0 "[ ]" 1
1597 2 29 PRO HB3 2 30 ASP H 0.000 . 4.000 3.353 3.353 3.353 . 0 0 "[ ]" 1
1598 2 29 PRO HB2 2 30 ASP H 0.000 . 3.200 2.460 2.460 2.460 . 0 0 "[ ]" 1
1599 2 29 PRO QG 2 30 ASP H 0.000 . 5.800 4.096 4.096 4.096 . 0 0 "[ ]" 1
1600 2 30 ASP H 2 31 HIS H 0.000 . 3.200 2.867 2.867 2.867 . 0 0 "[ ]" 1
1601 2 30 ASP HA 2 31 HIS H 3.200 2.700 4.200 3.582 3.582 3.582 . 0 0 "[ ]" 1
1602 2 30 ASP QB 2 31 HIS H 0.000 . 4.800 2.523 2.523 2.523 . 0 0 "[ ]" 1
1603 2 31 HIS H 2 32 MET H 0.000 . 3.200 2.549 2.549 2.549 . 0 0 "[ ]" 1
1604 2 31 HIS HA 2 32 MET H 3.200 2.700 4.200 3.300 3.300 3.300 . 0 0 "[ ]" 1
1605 2 31 HIS HB3 2 32 MET H 0.000 . 5.000 4.318 4.318 4.318 . 0 0 "[ ]" 1
1606 2 31 HIS HB2 2 32 MET H 0.000 . 5.000 4.349 4.349 4.349 . 0 0 "[ ]" 1
1607 2 32 MET HA 2 33 LEU H 3.200 2.700 4.200 3.435 3.435 3.435 . 0 0 "[ ]" 1
1608 2 32 MET QB 2 33 LEU H 0.000 . 4.800 3.011 3.011 3.011 . 0 0 "[ ]" 1
1609 2 32 MET H 2 33 LEU H 0.000 . 2.700 1.873 1.873 1.873 . 0 0 "[ ]" 1
1610 2 33 LEU H 2 34 ASP QB 0.000 . 4.800 4.282 4.282 4.282 . 0 0 "[ ]" 1
1611 2 33 LEU HA 2 34 ASP H 3.200 2.700 4.200 3.541 3.541 3.541 . 0 0 "[ ]" 1
1612 2 33 LEU QB 2 34 ASP H 0.000 . 4.000 2.671 2.671 2.671 . 0 0 "[ ]" 1
1613 2 33 LEU QD 2 34 ASP H 0.000 . 6.500 4.131 4.131 4.131 . 0 0 "[ ]" 1
1614 2 33 LEU H 2 34 ASP H 0.000 . 2.700 2.549 2.549 2.549 . 0 0 "[ ]" 1
1615 2 35 GLY HA3 2 36 LEU H 3.200 2.700 4.200 2.697 2.697 2.697 0.003 1 0 "[ ]" 1
1616 2 35 GLY HA2 2 36 LEU H 3.200 2.700 4.200 3.598 3.598 3.598 . 0 0 "[ ]" 1
1617 2 34 ASP HA 2 35 GLY H 0.000 . 2.700 2.234 2.234 2.234 . 0 0 "[ ]" 1
1618 2 34 ASP H 2 35 GLY H 4.000 3.200 6.000 4.394 4.394 4.394 . 0 0 "[ ]" 1
1619 2 35 GLY H 2 36 LEU H 4.000 3.200 6.000 3.179 3.179 3.179 0.021 1 0 "[ ]" 1
1620 2 36 LEU HA 2 37 GLU H 0.000 . 2.700 2.280 2.280 2.280 . 0 0 "[ ]" 1
1621 2 36 LEU HB3 2 37 GLU H 0.000 . 4.000 3.875 3.875 3.875 . 0 0 "[ ]" 1
1622 2 36 LEU HG 2 37 GLU H 0.000 . 3.200 2.428 2.428 2.428 . 0 0 "[ ]" 1
1623 2 37 GLU HA 2 38 THR H 0.000 . 2.700 2.472 2.472 2.472 . 0 0 "[ ]" 1
1624 2 37 GLU QB 2 38 THR H 0.000 . 4.000 2.607 2.607 2.607 . 0 0 "[ ]" 1
1625 2 37 GLU QG 2 38 THR H 0.000 . 4.000 3.323 3.323 3.323 . 0 0 "[ ]" 1
1626 2 37 GLU H 2 38 THR H 4.000 3.200 6.000 4.450 4.450 4.450 . 0 0 "[ ]" 1
1627 2 38 THR HA 2 39 GLY H 0.000 . 2.700 2.356 2.356 2.356 . 0 0 "[ ]" 1
1628 2 38 THR HB 2 39 GLY H 0.000 . 4.000 3.020 3.020 3.020 . 0 0 "[ ]" 1
1629 2 38 THR MG 2 39 GLY H 0.000 . 4.800 3.170 3.170 3.170 . 0 0 "[ ]" 1
1630 2 38 THR H 2 39 GLY H 4.000 3.200 6.000 4.685 4.685 4.685 . 0 0 "[ ]" 1
1631 2 39 GLY H 2 40 ALA H 0.000 . 3.200 2.564 2.564 2.564 . 0 0 "[ ]" 1
1632 2 39 GLY QA 2 40 ALA H 0.000 . 4.000 2.938 2.938 2.938 . 0 0 "[ ]" 1
1633 2 40 ALA HA 2 41 SER H 0.000 . 2.700 2.422 2.422 2.422 . 0 0 "[ ]" 1
1634 2 40 ALA MB 2 41 SER H 0.000 . 3.500 2.670 2.670 2.670 . 0 0 "[ ]" 1
1635 2 40 ALA H 2 41 SER H 4.000 3.200 6.000 4.653 4.653 4.653 . 0 0 "[ ]" 1
1636 2 41 SER H 2 42 VAL H 4.000 3.200 6.000 4.319 4.319 4.319 . 0 0 "[ ]" 1
1637 2 41 SER HA 2 42 VAL H 0.000 . 2.700 2.202 2.202 2.202 . 0 0 "[ ]" 1
1638 2 41 SER HB3 2 42 VAL H 0.000 . 5.000 4.236 4.236 4.236 . 0 0 "[ ]" 1
1639 2 41 SER HB2 2 42 VAL H 0.000 . 4.000 3.819 3.819 3.819 . 0 0 "[ ]" 1
1640 2 42 VAL HA 2 43 ALA H 0.000 . 2.700 2.201 2.201 2.201 . 0 0 "[ ]" 1
1641 2 42 VAL H 2 43 ALA H 4.000 3.200 6.000 4.441 4.441 4.441 . 0 0 "[ ]" 1
1642 2 43 ALA HA 2 44 HIS HD1 0.000 . 4.000 3.851 3.851 3.851 . 0 0 "[ ]" 1
1643 2 43 ALA HA 2 44 HIS H 0.000 . 2.700 2.208 2.208 2.208 . 0 0 "[ ]" 1
1644 2 43 ALA MB 2 44 HIS H 0.000 . 4.000 3.352 3.352 3.352 . 0 0 "[ ]" 1
1645 2 43 ALA H 2 44 HIS H 4.000 3.200 6.000 4.403 4.403 4.403 . 0 0 "[ ]" 1
1646 2 44 HIS H 2 45 ASN H 4.000 3.200 6.000 4.265 4.265 4.265 . 0 0 "[ ]" 1
1647 2 44 HIS HA 2 45 ASN H 0.000 . 2.700 2.170 2.170 2.170 . 0 0 "[ ]" 1
1648 2 45 ASN H 2 46 GLY H 0.000 . 4.000 2.688 2.688 2.688 . 0 0 "[ ]" 1
1649 2 45 ASN HA 2 46 GLY H 3.200 2.700 4.200 3.166 3.166 3.166 . 0 0 "[ ]" 1
1650 2 45 ASN HB3 2 46 GLY H 4.000 3.200 5.000 3.881 3.881 3.881 . 0 0 "[ ]" 1
1651 2 45 ASN HB2 2 46 GLY H 3.200 2.700 5.000 4.268 4.268 4.268 . 0 0 "[ ]" 1
1652 2 46 GLY H 2 47 CYS H 0.000 . 3.200 2.251 2.251 2.251 . 0 0 "[ ]" 1
1653 2 47 CYS H 2 48 CYS H 4.000 3.200 6.000 4.298 4.298 4.298 . 0 0 "[ ]" 1
1654 2 47 CYS HA 2 48 CYS H 0.000 . 2.700 2.226 2.226 2.226 . 0 0 "[ ]" 1
1655 2 47 CYS QB 2 48 CYS H 0.000 . 5.800 3.950 3.950 3.950 . 0 0 "[ ]" 1
1656 2 48 CYS H 2 49 LEU H 4.000 3.200 6.000 4.553 4.553 4.553 . 0 0 "[ ]" 1
1657 2 48 CYS HA 2 49 LEU H 0.000 . 2.700 2.170 2.170 2.170 . 0 0 "[ ]" 1
1658 2 48 CYS HB3 2 49 LEU H 0.000 . 5.000 4.310 4.310 4.310 . 0 0 "[ ]" 1
1659 2 48 CYS HB2 2 49 LEU H 0.000 . 5.000 3.477 3.477 3.477 . 0 0 "[ ]" 1
1660 2 49 LEU H 2 50 THR H 4.000 3.200 6.000 4.440 4.440 4.440 . 0 0 "[ ]" 1
1661 2 49 LEU HA 2 50 THR H 0.000 . 2.700 2.522 2.522 2.522 . 0 0 "[ ]" 1
1662 2 49 LEU QB 2 50 THR H 0.000 . 4.000 2.435 2.435 2.435 . 0 0 "[ ]" 1
1663 2 49 LEU MD1 2 50 THR H 0.000 . 4.800 4.025 4.025 4.025 . 0 0 "[ ]" 1
1664 2 50 THR H 2 51 VAL H 4.000 3.200 6.000 4.602 4.602 4.602 . 0 0 "[ ]" 1
1665 2 50 THR HA 2 51 VAL MG2 0.000 . 4.800 3.320 3.320 3.320 . 0 0 "[ ]" 1
1666 2 50 THR HA 2 51 VAL H 0.000 . 2.700 2.295 2.295 2.295 . 0 0 "[ ]" 1
1667 2 50 THR MG 2 51 VAL H 0.000 . 4.000 1.917 1.917 1.917 . 0 0 "[ ]" 1
1668 2 51 VAL H 2 52 THR H 4.000 3.200 6.000 4.431 4.431 4.431 . 0 0 "[ ]" 1
1669 2 51 VAL HA 2 52 THR H 0.000 . 2.700 2.230 2.230 2.230 . 0 0 "[ ]" 1
1670 2 51 VAL HB 2 52 THR H 0.000 . 5.000 4.340 4.340 4.340 . 0 0 "[ ]" 1
1671 2 51 VAL MG1 2 52 THR H 0.000 . 4.000 3.163 3.163 3.163 . 0 0 "[ ]" 1
1672 2 52 THR HA 2 53 GLU H 3.200 2.700 4.200 3.562 3.562 3.562 . 0 0 "[ ]" 1
1673 2 52 THR HB 2 53 GLU H 0.000 . 4.000 3.718 3.718 3.718 . 0 0 "[ ]" 1
1674 2 52 THR MG 2 53 GLU H 0.000 . 4.800 3.632 3.632 3.632 . 0 0 "[ ]" 1
1675 2 52 THR H 2 53 GLU H 0.000 . 2.700 2.556 2.556 2.556 . 0 0 "[ ]" 1
1676 2 53 GLU HA 2 54 ILE H 0.000 . 2.700 2.303 2.303 2.303 . 0 0 "[ ]" 1
1677 2 53 GLU QB 2 54 ILE H 0.000 . 4.000 3.552 3.552 3.552 . 0 0 "[ ]" 1
1678 2 53 GLU QG 2 54 ILE H 0.000 . 4.000 2.253 2.253 2.253 . 0 0 "[ ]" 1
1679 2 53 GLU H 2 54 ILE H 4.000 3.200 6.000 4.345 4.345 4.345 . 0 0 "[ ]" 1
1680 2 54 ILE HA 2 55 ASN H 0.000 . 2.700 2.164 2.164 2.164 . 0 0 "[ ]" 1
1681 2 54 ILE HB 2 55 ASN H 0.000 . 5.000 4.267 4.267 4.267 . 0 0 "[ ]" 1
1682 2 54 ILE QG 2 55 ASN H 0.000 . 4.800 4.056 4.056 4.056 . 0 0 "[ ]" 1
1683 2 54 ILE MG 2 55 ASN H 0.000 . 3.500 2.411 2.411 2.411 . 0 0 "[ ]" 1
1684 2 54 ILE H 2 55 ASN H 4.000 3.200 6.000 4.438 4.438 4.438 . 0 0 "[ ]" 1
1685 2 55 ASN HA 2 56 GLY H 0.000 . 2.700 2.564 2.564 2.564 . 0 0 "[ ]" 1
1686 2 55 ASN H 2 56 GLY H 4.000 3.200 6.000 3.483 3.483 3.483 . 0 0 "[ ]" 1
1687 2 56 GLY H 2 57 ASN H 4.000 3.200 6.000 4.436 4.436 4.436 . 0 0 "[ ]" 1
1688 2 56 GLY QA 2 57 ASN H 0.000 . 3.500 2.175 2.175 2.175 . 0 0 "[ ]" 1
1689 2 58 HIS HD2 2 59 VAL H 0.000 . 5.000 3.567 3.567 3.567 . 0 0 "[ ]" 1
1690 2 57 ASN HA 2 58 HIS H 3.200 2.700 4.200 3.467 3.467 3.467 . 0 0 "[ ]" 1
1691 2 57 ASN HB2 2 58 HIS H 0.000 . 5.000 4.361 4.361 4.361 . 0 0 "[ ]" 1
1692 2 57 ASN H 2 58 HIS H 0.000 . 2.700 2.348 2.348 2.348 . 0 0 "[ ]" 1
1693 2 58 HIS H 2 59 VAL H 4.000 3.200 6.000 4.668 4.668 4.668 . 0 0 "[ ]" 1
1694 2 58 HIS HA 2 59 VAL MG2 0.000 . 4.800 3.532 3.532 3.532 . 0 0 "[ ]" 1
1695 2 58 HIS HA 2 59 VAL H 0.000 . 2.700 2.375 2.375 2.375 . 0 0 "[ ]" 1
1696 2 58 HIS HB3 2 59 VAL H 0.000 . 4.000 2.739 2.739 2.739 . 0 0 "[ ]" 1
1697 2 58 HIS HB2 2 59 VAL H 0.000 . 4.000 4.005 4.005 4.005 0.005 1 0 "[ ]" 1
1698 2 59 VAL HA 2 60 SER H 0.000 . 2.700 2.172 2.172 2.172 . 0 0 "[ ]" 1
1699 2 59 VAL MG1 2 60 SER H 0.000 . 4.000 2.982 2.982 2.982 . 0 0 "[ ]" 1
1700 2 59 VAL H 2 60 SER H 4.000 3.200 6.000 4.122 4.122 4.122 . 0 0 "[ ]" 1
1701 2 60 SER HA 2 61 PHE H 0.000 . 2.700 2.258 2.258 2.258 . 0 0 "[ ]" 1
1702 2 60 SER QB 2 61 PHE H 0.000 . 4.000 3.341 3.341 3.341 . 0 0 "[ ]" 1
1703 2 60 SER H 2 61 PHE H 4.000 3.200 6.000 4.562 4.562 4.562 . 0 0 "[ ]" 1
1704 2 62 ASP HA 2 63 LEU HB3 0.000 . 5.000 5.095 5.095 5.095 0.095 1 0 "[ ]" 1
1705 2 62 ASP HA 2 63 LEU HB2 0.000 . 4.000 3.689 3.689 3.689 . 0 0 "[ ]" 1
1706 2 62 ASP HA 2 63 LEU QD 0.000 . 5.500 4.104 4.104 4.104 . 0 0 "[ ]" 1
1707 2 61 PHE HA 2 62 ASP H 0.000 . 2.700 2.419 2.419 2.419 . 0 0 "[ ]" 1
1708 2 61 PHE QB 2 62 ASP H 0.000 . 4.800 2.669 2.669 2.669 . 0 0 "[ ]" 1
1709 2 61 PHE H 2 62 ASP H 4.000 3.200 6.000 4.569 4.569 4.569 . 0 0 "[ ]" 1
1710 2 62 ASP H 2 63 LEU H 4.000 3.200 6.000 4.596 4.596 4.596 . 0 0 "[ ]" 1
1711 2 62 ASP HA 2 63 LEU H 0.000 . 2.700 2.209 2.209 2.209 . 0 0 "[ ]" 1
1712 2 62 ASP QB 2 63 LEU H 0.000 . 4.800 2.880 2.880 2.880 . 0 0 "[ ]" 1
1713 2 63 LEU H 2 64 MET H 4.000 3.200 6.000 4.012 4.012 4.012 . 0 0 "[ ]" 1
1714 2 63 LEU HA 2 64 MET H 0.000 . 2.700 2.266 2.266 2.266 . 0 0 "[ ]" 1
1715 2 63 LEU QB 2 64 MET H 0.000 . 4.800 3.739 3.739 3.739 . 0 0 "[ ]" 1
1716 2 63 LEU QD 2 64 MET H 0.000 . 5.500 3.852 3.852 3.852 . 0 0 "[ ]" 1
1717 2 64 MET H 2 65 LYS H 4.000 3.200 6.000 4.648 4.648 4.648 . 0 0 "[ ]" 1
1718 2 64 MET HA 2 65 LYS H 0.000 . 2.700 2.259 2.259 2.259 . 0 0 "[ ]" 1
1719 2 64 MET QB 2 65 LYS H 0.000 . 4.800 3.691 3.691 3.691 . 0 0 "[ ]" 1
1720 2 65 LYS QG 2 66 GLU HA 0.000 . 4.000 3.582 3.582 3.582 . 0 0 "[ ]" 1
1721 2 65 LYS HA 2 66 GLU H 3.200 2.700 4.200 3.576 3.576 3.576 . 0 0 "[ ]" 1
1722 2 65 LYS QB 2 66 GLU H 0.000 . 3.500 2.447 2.447 2.447 . 0 0 "[ ]" 1
1723 2 65 LYS H 2 66 GLU H 0.000 . 3.200 2.806 2.806 2.806 . 0 0 "[ ]" 1
1724 2 66 GLU H 2 67 THR H 0.000 . 3.200 2.599 2.599 2.599 . 0 0 "[ ]" 1
1725 2 66 GLU HA 2 67 THR H 3.200 2.700 4.200 3.565 3.565 3.565 . 0 0 "[ ]" 1
1726 2 66 GLU QB 2 67 THR H 0.000 . 4.000 2.519 2.519 2.519 . 0 0 "[ ]" 1
1727 2 66 GLU QG 2 67 THR H 0.000 . 4.000 3.557 3.557 3.557 . 0 0 "[ ]" 1
1728 2 67 THR H 2 68 LEU H 0.000 . 2.700 2.570 2.570 2.570 . 0 0 "[ ]" 1
1729 2 67 THR HA 2 68 LEU H 3.200 2.700 4.200 3.543 3.543 3.543 . 0 0 "[ ]" 1
1730 2 67 THR HB 2 68 LEU H 0.000 . 2.700 2.635 2.635 2.635 . 0 0 "[ ]" 1
1731 2 67 THR MG 2 68 LEU H 0.000 . 4.800 3.575 3.575 3.575 . 0 0 "[ ]" 1
1732 2 68 LEU HA 2 69 ARG H 3.200 2.700 4.200 3.571 3.571 3.571 . 0 0 "[ ]" 1
1733 2 68 LEU HB3 2 69 ARG H 0.000 . 4.000 2.403 2.403 2.403 . 0 0 "[ ]" 1
1734 2 68 LEU HG 2 69 ARG H 0.000 . 4.000 3.842 3.842 3.842 . 0 0 "[ ]" 1
1735 2 68 LEU H 2 69 ARG H 0.000 . 2.700 2.722 2.722 2.722 0.022 1 0 "[ ]" 1
1736 2 70 ILE HB 2 71 THR H 0.000 . 3.200 3.261 3.261 3.261 0.061 1 0 "[ ]" 1
1737 2 69 ARG HA 2 70 ILE H 3.200 2.700 4.200 3.571 3.571 3.571 . 0 0 "[ ]" 1
1738 2 69 ARG QB 2 70 ILE H 0.000 . 4.000 2.539 2.539 2.539 . 0 0 "[ ]" 1
1739 2 69 ARG H 2 70 ILE H 0.000 . 2.700 2.551 2.551 2.551 . 0 0 "[ ]" 1
1740 2 70 ILE H 2 71 THR MG 0.000 . 4.800 4.016 4.016 4.016 . 0 0 "[ ]" 1
1741 2 70 ILE HA 2 71 THR H 3.200 2.700 4.200 3.528 3.528 3.528 . 0 0 "[ ]" 1
1742 2 70 ILE QG 2 71 THR H 0.000 . 4.800 4.230 4.230 4.230 . 0 0 "[ ]" 1
1743 2 70 ILE MG 2 71 THR H 0.000 . 4.800 1.955 1.955 1.955 . 0 0 "[ ]" 1
1744 2 70 ILE H 2 71 THR H 0.000 . 2.700 2.667 2.667 2.667 . 0 0 "[ ]" 1
1745 2 71 THR H 2 72 ASN H 4.000 3.200 6.000 4.464 4.464 4.464 . 0 0 "[ ]" 1
1746 2 71 THR HA 2 72 ASN H 3.200 2.700 4.200 2.651 2.651 2.651 0.049 1 0 "[ ]" 1
1747 2 71 THR HB 2 72 ASN H 0.000 . 3.200 2.306 2.306 2.306 . 0 0 "[ ]" 1
1748 2 71 THR MG 2 72 ASN H 0.000 . 4.800 3.849 3.849 3.849 . 0 0 "[ ]" 1
1749 2 72 ASN H 2 73 LEU QD 0.000 . 5.500 3.889 3.889 3.889 . 0 0 "[ ]" 1
1750 2 72 ASN H 2 73 LEU HG 0.000 . 4.000 3.295 3.295 3.295 . 0 0 "[ ]" 1
1751 2 72 ASN HA 2 73 LEU H 3.200 2.700 4.200 3.072 3.072 3.072 . 0 0 "[ ]" 1
1752 2 72 ASN HB3 2 73 LEU H 0.000 . 4.000 4.002 4.002 4.002 0.002 1 0 "[ ]" 1
1753 2 72 ASN HB2 2 73 LEU H 0.000 . 5.000 4.641 4.641 4.641 . 0 0 "[ ]" 1
1754 2 72 ASN H 2 73 LEU H 0.000 . 3.200 2.507 2.507 2.507 . 0 0 "[ ]" 1
1755 2 74 GLY HA3 2 75 ASP H 3.200 2.700 4.200 3.049 3.049 3.049 . 0 0 "[ ]" 1
1756 2 74 GLY HA2 2 75 ASP H 3.200 2.700 4.200 3.484 3.484 3.484 . 0 0 "[ ]" 1
1757 2 73 LEU HA 2 74 GLY H 3.200 2.700 4.200 3.580 3.580 3.580 . 0 0 "[ ]" 1
1758 2 73 LEU QB 2 74 GLY H 0.000 . 4.800 2.527 2.527 2.527 . 0 0 "[ ]" 1
1759 2 73 LEU H 2 74 GLY H 0.000 . 3.200 2.601 2.601 2.601 . 0 0 "[ ]" 1
1760 2 74 GLY H 2 75 ASP H 0.000 . 3.200 2.885 2.885 2.885 . 0 0 "[ ]" 1
1761 2 75 ASP H 2 76 LEU H 0.000 . 2.700 2.688 2.688 2.688 . 0 0 "[ ]" 1
1762 2 76 LEU HB3 2 77 LYS H 0.000 . 3.200 3.051 3.051 3.051 . 0 0 "[ ]" 1
1763 2 76 LEU HB2 2 77 LYS H 0.000 . 4.000 4.054 4.054 4.054 0.054 1 0 "[ ]" 1
1764 2 75 ASP HA 2 76 LEU H 3.200 2.700 4.200 3.473 3.473 3.473 . 0 0 "[ ]" 1
1765 2 75 ASP HB3 2 76 LEU H 0.000 . 4.000 4.016 4.016 4.016 0.016 1 0 "[ ]" 1
1766 2 75 ASP HB2 2 76 LEU H 0.000 . 5.000 4.099 4.099 4.099 . 0 0 "[ ]" 1
1767 2 76 LEU H 2 77 LYS H 4.000 3.200 6.000 4.645 4.645 4.645 . 0 0 "[ ]" 1
1768 2 76 LEU HA 2 77 LYS H 0.000 . 2.700 2.222 2.222 2.222 . 0 0 "[ ]" 1
1769 2 76 LEU QD 2 77 LYS H 0.000 . 4.200 3.126 3.126 3.126 . 0 0 "[ ]" 1
1770 2 77 LYS H 2 78 VAL H 4.000 3.200 6.000 4.300 4.300 4.300 . 0 0 "[ ]" 1
1771 2 78 VAL MG1 2 79 GLY QA 0.000 . 4.300 3.232 3.232 3.232 . 0 0 "[ ]" 1
1772 2 78 VAL MG1 2 79 GLY H 0.000 . 3.500 2.157 2.157 2.157 . 0 0 "[ ]" 1
1773 2 78 VAL MG2 2 79 GLY H 0.000 . 4.800 3.991 3.991 3.991 . 0 0 "[ ]" 1
1774 2 77 LYS HA 2 78 VAL H 0.000 . 2.700 2.261 2.261 2.261 . 0 0 "[ ]" 1
1775 2 77 LYS QB 2 78 VAL H 0.000 . 3.500 3.121 3.121 3.121 . 0 0 "[ ]" 1
1776 2 77 LYS QD 2 78 VAL H 0.000 . 5.800 5.130 5.130 5.130 . 0 0 "[ ]" 1
1777 2 77 LYS QG 2 78 VAL H 0.000 . 4.800 4.031 4.031 4.031 . 0 0 "[ ]" 1
1778 2 78 VAL H 2 79 GLY H 4.000 3.200 6.000 4.672 4.672 4.672 . 0 0 "[ ]" 1
1779 2 78 VAL HA 2 79 GLY H 0.000 . 2.700 2.312 2.312 2.312 . 0 0 "[ ]" 1
1780 2 78 VAL HB 2 79 GLY H 4.000 3.200 5.000 3.755 3.755 3.755 . 0 0 "[ ]" 1
1781 2 80 ASP HB3 2 81 TRP H 0.000 . 4.000 3.383 3.383 3.383 . 0 0 "[ ]" 1
1782 2 80 ASP HB2 2 81 TRP H 0.000 . 4.000 4.005 4.005 4.005 0.005 1 0 "[ ]" 1
1783 2 79 GLY HA3 2 80 ASP H 3.200 2.700 4.200 3.140 3.140 3.140 . 0 0 "[ ]" 1
1784 2 79 GLY HA2 2 80 ASP H 3.200 2.700 4.200 3.409 3.409 3.409 . 0 0 "[ ]" 1
1785 2 79 GLY H 2 80 ASP H 0.000 . 2.700 2.538 2.538 2.538 . 0 0 "[ ]" 1
1786 2 80 ASP HA 2 81 TRP H 0.000 . 2.700 2.504 2.504 2.504 . 0 0 "[ ]" 1
1787 2 80 ASP H 2 81 TRP H 4.000 3.200 6.000 4.564 4.564 4.564 . 0 0 "[ ]" 1
1788 2 81 TRP H 2 82 VAL H 4.000 3.200 6.000 4.514 4.514 4.514 . 0 0 "[ ]" 1
1789 2 81 TRP HA 2 82 VAL MG1 0.000 . 4.800 3.313 3.313 3.313 . 0 0 "[ ]" 1
1790 2 81 TRP HA 2 82 VAL H 0.000 . 2.700 2.451 2.451 2.451 . 0 0 "[ ]" 1
1791 2 81 TRP HB3 2 82 VAL H 0.000 . 4.000 2.488 2.488 2.488 . 0 0 "[ ]" 1
1792 2 81 TRP HB2 2 82 VAL H 0.000 . 5.000 3.753 3.753 3.753 . 0 0 "[ ]" 1
1793 2 82 VAL H 2 83 ASN H 4.000 3.200 6.000 4.460 4.460 4.460 . 0 0 "[ ]" 1
1794 2 82 VAL HA 2 83 ASN H 0.000 . 2.700 2.304 2.304 2.304 . 0 0 "[ ]" 1
1795 2 83 ASN H 2 84 VAL H 4.000 3.200 6.000 4.312 4.312 4.312 . 0 0 "[ ]" 1
1796 2 83 ASN HA 2 84 VAL MG2 0.000 . 4.800 3.443 3.443 3.443 . 0 0 "[ ]" 1
1797 2 83 ASN HA 2 84 VAL H 0.000 . 2.700 2.260 2.260 2.260 . 0 0 "[ ]" 1
1798 2 83 ASN HB3 2 84 VAL H 0.000 . 4.000 4.006 4.006 4.006 0.006 1 0 "[ ]" 1
1799 2 83 ASN HB2 2 84 VAL H 0.000 . 5.000 4.648 4.648 4.648 . 0 0 "[ ]" 1
1800 2 84 VAL H 2 85 GLU H 4.000 3.200 6.000 4.536 4.536 4.536 . 0 0 "[ ]" 1
1801 2 84 VAL HA 2 85 GLU H 0.000 . 2.700 2.177 2.177 2.177 . 0 0 "[ ]" 1
1802 2 84 VAL HB 2 85 GLU H 0.000 . 3.200 3.176 3.176 3.176 . 0 0 "[ ]" 1
1803 2 84 VAL MG1 2 85 GLU H 0.000 . 4.000 3.362 3.362 3.362 . 0 0 "[ ]" 1
1804 2 85 GLU H 2 86 ARG H 4.000 3.200 6.000 4.411 4.411 4.411 . 0 0 "[ ]" 1
1805 2 85 GLU HA 2 86 ARG H 0.000 . 2.700 2.262 2.262 2.262 . 0 0 "[ ]" 1
1806 2 86 ARG H 2 87 ALA H 4.000 3.200 6.000 4.598 4.598 4.598 . 0 0 "[ ]" 1
1807 2 87 ALA MB 2 88 ALA H 0.000 . 3.500 2.946 2.946 2.946 . 0 0 "[ ]" 1
1808 2 86 ARG HA 2 87 ALA H 0.000 . 4.000 2.212 2.212 2.212 . 0 0 "[ ]" 1
1809 2 86 ARG QB 2 87 ALA H 0.000 . 5.800 3.276 3.276 3.276 . 0 0 "[ ]" 1
1810 2 86 ARG QG 2 87 ALA H 0.000 . 5.800 3.935 3.935 3.935 . 0 0 "[ ]" 1
1811 2 87 ALA H 2 88 ALA H 4.000 3.200 6.000 4.442 4.442 4.442 . 0 0 "[ ]" 1
1812 2 88 ALA HA 2 89 LYS QD 0.000 . 4.800 4.283 4.283 4.283 . 0 0 "[ ]" 1
1813 2 87 ALA HA 2 88 ALA H 0.000 . 2.700 2.249 2.249 2.249 . 0 0 "[ ]" 1
1814 2 88 ALA HA 2 89 LYS H 0.000 . 3.200 2.267 2.267 2.267 . 0 0 "[ ]" 1
1815 2 88 ALA MB 2 89 LYS H 0.000 . 4.800 2.971 2.971 2.971 . 0 0 "[ ]" 1
1816 2 89 LYS HA 2 90 PHE H 0.000 . 4.000 3.562 3.562 3.562 . 0 0 "[ ]" 1
1817 2 90 PHE HA 2 91 SER H 0.000 . 2.700 2.392 2.392 2.392 . 0 0 "[ ]" 1
1818 2 90 PHE HB3 2 91 SER H 0.000 . 4.000 4.007 4.007 4.007 0.007 1 0 "[ ]" 1
1819 2 90 PHE HB2 2 91 SER H 0.000 . 3.200 2.751 2.751 2.751 . 0 0 "[ ]" 1
1820 2 91 SER HA 2 92 ASP H 0.000 . 2.700 2.382 2.382 2.382 . 0 0 "[ ]" 1
1821 2 91 SER QB 2 92 ASP H 0.000 . 4.000 3.428 3.428 3.428 . 0 0 "[ ]" 1
1822 2 91 SER H 2 92 ASP H 4.000 3.200 6.000 4.436 4.436 4.436 . 0 0 "[ ]" 1
1823 2 92 ASP HA 2 93 GLU H 3.200 2.700 4.200 3.571 3.571 3.571 . 0 0 "[ ]" 1
1824 2 92 ASP QB 2 93 GLU H 0.000 . 3.500 2.520 2.520 2.520 . 0 0 "[ ]" 1
1825 2 92 ASP H 2 93 GLU H 0.000 . 2.700 2.674 2.674 2.674 . 0 0 "[ ]" 1
1826 2 93 GLU H 2 94 ILE H 0.000 . 3.200 3.210 3.210 3.210 0.010 1 0 "[ ]" 1
1827 2 93 GLU HA 2 94 ILE H 0.000 . 2.700 2.745 2.745 2.745 0.045 1 0 "[ ]" 1
1828 2 93 GLU QB 2 94 ILE H 0.000 . 5.800 3.956 3.956 3.956 . 0 0 "[ ]" 1
1829 2 93 GLU QG 2 94 ILE H 0.000 . 5.800 4.104 4.104 4.104 . 0 0 "[ ]" 1
1830 2 94 ILE H 2 95 GLY H 0.000 . 2.700 2.510 2.510 2.510 . 0 0 "[ ]" 1
1831 2 94 ILE HA 2 95 GLY H 3.200 2.700 4.200 3.550 3.550 3.550 . 0 0 "[ ]" 1
1832 2 95 GLY H 2 96 GLY H 4.000 3.200 6.000 4.174 4.174 4.174 . 0 0 "[ ]" 1
1833 2 38 THR H 2 40 ALA H 0.000 . 5.000 4.595 4.595 4.595 . 0 0 "[ ]" 1
1834 2 3 THR HB 2 5 ILE MD 0.000 . 4.000 1.839 1.839 1.839 . 0 0 "[ ]" 1
1835 2 3 THR HB 2 5 ILE QG 0.000 . 4.000 1.858 1.858 1.858 . 0 0 "[ ]" 1
1836 2 3 THR HB 2 5 ILE MG 0.000 . 4.800 4.025 4.025 4.025 . 0 0 "[ ]" 1
1837 2 3 THR HB 2 5 ILE H 0.000 . 4.000 2.615 2.615 2.615 . 0 0 "[ ]" 1
1838 2 2 PHE QB 2 4 GLY H 0.000 . 4.800 4.297 4.297 4.297 . 0 0 "[ ]" 1
1839 2 2 PHE QD 2 4 GLY H 0.000 . 5.500 4.260 4.260 4.260 . 0 0 "[ ]" 1
1840 2 3 THR MG 2 5 ILE H 0.000 . 4.800 4.055 4.055 4.055 . 0 0 "[ ]" 1
1841 2 3 THR H 2 5 ILE H 0.000 . 4.000 4.055 4.055 4.055 0.055 1 0 "[ ]" 1
1842 2 6 VAL HA 2 8 GLY H 0.000 . 4.000 3.954 3.954 3.954 . 0 0 "[ ]" 1
1843 2 6 VAL MG1 2 8 GLY H 0.000 . 3.500 1.933 1.933 1.933 . 0 0 "[ ]" 1
1844 2 6 VAL MG2 2 8 GLY H 0.000 . 4.800 4.044 4.044 4.044 . 0 0 "[ ]" 1
1845 2 11 LYS QE 2 13 VAL HA 0.000 . 4.000 3.451 3.451 3.451 . 0 0 "[ ]" 1
1846 2 12 LEU QD 2 15 ILE MD 0.000 . 5.200 3.128 3.128 3.128 . 0 0 "[ ]" 1
1847 2 11 LYS QE 2 13 VAL MG1 0.000 . 5.600 4.158 4.158 4.158 . 0 0 "[ ]" 1
1848 2 12 LEU HA 2 14 SER H 0.000 . 4.000 3.832 3.832 3.832 . 0 0 "[ ]" 1
1849 2 12 LEU QD 2 14 SER H 0.000 . 4.700 3.225 3.225 3.225 . 0 0 "[ ]" 1
1850 2 12 LEU HG 2 14 SER H 0.000 . 4.000 3.803 3.803 3.803 . 0 0 "[ ]" 1
1851 2 15 ILE MG 2 17 GLU H 0.000 . 4.800 3.992 3.992 3.992 . 0 0 "[ ]" 1
1852 2 18 LYS H 2 22 ARG HA 0.000 . 3.200 2.376 2.376 2.376 . 0 0 "[ ]" 1
1853 2 18 LYS HB3 2 20 ASN HD22 0.000 . 5.800 3.924 3.924 3.924 . 0 0 "[ ]" 1
1854 2 18 LYS QB 2 21 PHE H 0.000 . 4.000 1.897 1.897 1.897 . 0 0 "[ ]" 1
1855 2 18 LYS QD 2 21 PHE H 0.000 . 5.800 4.889 4.889 4.889 . 0 0 "[ ]" 1
1856 2 18 LYS QE 2 21 PHE H 0.000 . 5.800 3.714 3.714 3.714 . 0 0 "[ ]" 1
1857 2 18 LYS QG 2 21 PHE H 0.000 . 4.800 3.796 3.796 3.796 . 0 0 "[ ]" 1
1858 2 18 LYS H 2 21 PHE H 0.000 . 4.000 3.840 3.840 3.840 . 0 0 "[ ]" 1
1859 2 19 PRO QD 2 21 PHE H 0.000 . 5.800 4.488 4.488 4.488 . 0 0 "[ ]" 1
1860 2 17 GLU HA 2 22 ARG HA 0.000 . 2.700 2.700 2.700 2.700 0.000 1 0 "[ ]" 1
1861 2 18 LYS QG 2 22 ARG HA 0.000 . 4.800 3.654 3.654 3.654 . 0 0 "[ ]" 1
1862 2 17 GLU HA 2 22 ARG QB 0.000 . 4.800 4.202 4.202 4.202 . 0 0 "[ ]" 1
1863 2 17 GLU QG 2 22 ARG QD 0.000 . 5.600 4.328 4.328 4.328 . 0 0 "[ ]" 1
1864 2 22 ARG HE 2 24 HIS HD2 0.000 . 5.000 4.817 4.817 4.817 . 0 0 "[ ]" 1
1865 2 18 LYS QG 2 22 ARG H 0.000 . 5.800 5.185 5.185 5.185 . 0 0 "[ ]" 1
1866 2 18 LYS H 2 23 THR H 0.000 . 5.000 3.473 3.473 3.473 . 0 0 "[ ]" 1
1867 2 28 LEU QD 2 33 LEU H 0.000 . 6.500 3.519 3.519 3.519 . 0 0 "[ ]" 1
1868 2 26 VAL MG2 2 28 LEU H 0.000 . 4.800 3.833 3.833 3.833 . 0 0 "[ ]" 1
1869 2 30 ASP HA 2 33 LEU QD 0.000 . 4.700 2.233 2.233 2.233 . 0 0 "[ ]" 1
1870 2 30 ASP HA 2 33 LEU H 0.000 . 4.000 3.609 3.609 3.609 . 0 0 "[ ]" 1
1871 2 30 ASP QB 2 33 LEU QD 0.000 . 6.300 3.598 3.598 3.598 . 0 0 "[ ]" 1
1872 2 30 ASP H 2 33 LEU QD 0.000 . 4.700 3.341 3.341 3.341 . 0 0 "[ ]" 1
1873 2 30 ASP H 2 33 LEU H 0.000 . 5.000 4.781 4.781 4.781 . 0 0 "[ ]" 1
1874 2 29 PRO QD 2 31 HIS H 0.000 . 5.800 5.174 5.174 5.174 . 0 0 "[ ]" 1
1875 2 29 PRO QG 2 31 HIS H 0.000 . 4.800 3.629 3.629 3.629 . 0 0 "[ ]" 1
1876 2 29 PRO QD 2 32 MET H 0.000 . 4.800 3.837 3.837 3.837 . 0 0 "[ ]" 1
1877 2 29 PRO QG 2 32 MET H 0.000 . 4.800 2.895 2.895 2.895 . 0 0 "[ ]" 1
1878 2 30 ASP HA 2 32 MET H 0.000 . 4.000 4.005 4.005 4.005 0.005 1 0 "[ ]" 1
1879 2 28 LEU QD 2 33 LEU HA 0.000 . 4.200 1.843 1.843 1.843 . 0 0 "[ ]" 1
1880 2 31 HIS HA 2 33 LEU H 0.000 . 4.000 3.999 3.999 3.999 . 0 0 "[ ]" 1
1881 2 31 HIS HA 2 34 ASP H 0.000 . 4.000 3.774 3.774 3.774 . 0 0 "[ ]" 1
1882 2 37 GLU H 2 40 ALA MB 0.000 . 3.500 2.433 2.433 2.433 . 0 0 "[ ]" 1
1883 2 36 LEU HA 2 40 ALA MB 0.000 . 4.800 3.650 3.650 3.650 . 0 0 "[ ]" 1
1884 2 36 LEU QD 2 40 ALA MB 0.000 . 5.000 2.680 2.680 2.680 . 0 0 "[ ]" 1
1885 2 36 LEU QD 2 40 ALA H 0.000 . 5.500 4.087 4.087 4.087 . 0 0 "[ ]" 1
1886 2 38 THR HA 2 40 ALA H 0.000 . 4.000 3.019 3.019 3.019 . 0 0 "[ ]" 1
1887 2 42 VAL HB 2 44 HIS HD1 0.000 . 4.000 4.063 4.063 4.063 0.063 1 0 "[ ]" 1
1888 2 42 VAL MG1 2 44 HIS HD1 0.000 . 4.000 1.694 1.694 1.694 . 0 0 "[ ]" 1
1889 2 42 VAL MG2 2 44 HIS HD1 0.000 . 4.800 4.093 4.093 4.093 . 0 0 "[ ]" 1
1890 2 44 HIS HD1 2 49 LEU MD2 0.000 . 5.800 3.049 3.049 3.049 . 0 0 "[ ]" 1
1891 2 44 HIS H 2 48 CYS HA 0.000 . 4.000 3.782 3.782 3.782 . 0 0 "[ ]" 1
1892 2 44 HIS H 2 49 LEU MD2 0.000 . 4.800 2.214 2.214 2.214 . 0 0 "[ ]" 1
1893 2 43 ALA MB 2 46 GLY H 0.000 . 4.800 2.717 2.717 2.717 . 0 0 "[ ]" 1
1894 2 43 ALA MB 2 46 GLY HA3 0.000 . 5.800 3.616 3.616 3.616 . 0 0 "[ ]" 1
1895 2 43 ALA MB 2 46 GLY HA2 0.000 . 5.800 2.205 2.205 2.205 . 0 0 "[ ]" 1
1896 2 44 HIS QB 2 47 CYS H 0.000 . 4.800 3.549 3.549 3.549 . 0 0 "[ ]" 1
1897 2 44 HIS H 2 47 CYS H 0.000 . 3.200 2.697 2.697 2.697 . 0 0 "[ ]" 1
1898 2 47 CYS H 2 49 LEU MD2 0.000 . 4.800 4.034 4.034 4.034 . 0 0 "[ ]" 1
1899 2 43 ALA HA 2 48 CYS HA 0.000 . 2.700 1.994 1.994 1.994 . 0 0 "[ ]" 1
1900 2 43 ALA MB 2 48 CYS HA 0.000 . 4.800 2.944 2.944 2.944 . 0 0 "[ ]" 1
1901 2 51 VAL MG1 2 53 GLU H 0.000 . 4.000 2.740 2.740 2.740 . 0 0 "[ ]" 1
1902 2 51 VAL MG1 2 54 ILE MD 0.000 . 5.600 2.859 2.859 2.859 . 0 0 "[ ]" 1
1903 2 51 VAL MG1 2 54 ILE QG 0.000 . 5.600 2.222 2.222 2.222 . 0 0 "[ ]" 1
1904 2 51 VAL HA 2 53 GLU H 0.000 . 4.000 3.753 3.753 3.753 . 0 0 "[ ]" 1
1905 2 54 ILE HA 2 58 HIS HB3 0.000 . 5.000 5.009 5.009 5.009 0.009 1 0 "[ ]" 1
1906 2 54 ILE HA 2 58 HIS HB2 0.000 . 5.000 5.094 5.094 5.094 0.094 1 0 "[ ]" 1
1907 2 54 ILE HA 2 59 VAL HA 0.000 . 3.200 1.981 1.981 1.981 . 0 0 "[ ]" 1
1908 2 53 GLU QB 2 55 ASN HD21 0.000 . 4.800 4.213 4.213 4.213 . 0 0 "[ ]" 1
1909 2 53 GLU QG 2 55 ASN HD21 0.000 . 4.800 4.046 4.046 4.046 . 0 0 "[ ]" 1
1910 2 55 ASN HD21 2 58 HIS QB 0.000 . 4.800 3.174 3.174 3.174 . 0 0 "[ ]" 1
1911 2 53 GLU QB 2 55 ASN HD22 0.000 . 4.000 3.547 3.547 3.547 . 0 0 "[ ]" 1
1912 2 53 GLU QG 2 55 ASN HD22 0.000 . 4.000 3.570 3.570 3.570 . 0 0 "[ ]" 1
1913 2 55 ASN H 2 58 HIS HB2 0.000 . 4.000 3.073 3.073 3.073 . 0 0 "[ ]" 1
1914 2 55 ASN H 2 58 HIS H 0.000 . 4.000 3.766 3.766 3.766 . 0 0 "[ ]" 1
1915 2 55 ASN H 2 59 VAL HA 0.000 . 3.200 2.800 2.800 2.800 . 0 0 "[ ]" 1
1916 2 55 ASN H 2 59 VAL MG2 0.000 . 4.000 3.386 3.386 3.386 . 0 0 "[ ]" 1
1917 2 55 ASN H 2 60 SER H 0.000 . 4.000 3.816 3.816 3.816 . 0 0 "[ ]" 1
1918 2 54 ILE QG 2 56 GLY H 0.000 . 5.800 5.224 5.224 5.224 . 0 0 "[ ]" 1
1919 2 54 ILE MG 2 56 GLY H 0.000 . 4.000 2.491 2.491 2.491 . 0 0 "[ ]" 1
1920 2 55 ASN HB2 2 58 HIS HB3 0.000 . 4.000 2.308 2.308 2.308 . 0 0 "[ ]" 1
1921 2 55 ASN HB3 2 58 HIS HB2 0.000 . 4.000 2.712 2.712 2.712 . 0 0 "[ ]" 1
1922 2 55 ASN HB2 2 58 HIS HB2 0.000 . 3.200 1.869 1.869 1.869 . 0 0 "[ ]" 1
1923 2 54 ILE MG 2 58 HIS H 0.000 . 4.800 3.893 3.893 3.893 . 0 0 "[ ]" 1
1924 2 55 ASN HA 2 58 HIS H 0.000 . 5.000 5.000 5.000 5.000 . 0 0 "[ ]" 1
1925 2 55 ASN QB 2 58 HIS H 0.000 . 4.800 3.440 3.440 3.440 . 0 0 "[ ]" 1
1926 2 56 GLY QA 2 58 HIS H 0.000 . 4.800 3.411 3.411 3.411 . 0 0 "[ ]" 1
1927 2 54 ILE HA 2 59 VAL MG1 0.000 . 4.000 3.208 3.208 3.208 . 0 0 "[ ]" 1
1928 2 54 ILE HA 2 59 VAL MG2 0.000 . 4.000 2.669 2.669 2.669 . 0 0 "[ ]" 1
1929 2 63 LEU QD 2 68 LEU QD 0.000 . 5.700 1.567 1.567 1.567 . 0 0 "[ ]" 1
1930 2 64 MET H 2 67 THR HB 0.000 . 4.000 2.675 2.675 2.675 . 0 0 "[ ]" 1
1931 2 65 LYS HA 2 68 LEU QB 0.000 . 4.800 2.334 2.334 2.334 . 0 0 "[ ]" 1
1932 2 65 LYS HA 2 68 LEU QD 0.000 . 5.500 2.522 2.522 2.522 . 0 0 "[ ]" 1
1933 2 65 LYS H 2 68 LEU QB 0.000 . 4.800 4.309 4.309 4.309 . 0 0 "[ ]" 1
1934 2 66 GLU HA 2 69 ARG H 0.000 . 3.200 3.266 3.266 3.266 0.066 1 0 "[ ]" 1
1935 2 66 GLU H 2 68 LEU H 0.000 . 4.000 3.805 3.805 3.805 . 0 0 "[ ]" 1
1936 2 67 THR HA 2 70 ILE HB 0.000 . 4.000 2.229 2.229 2.229 . 0 0 "[ ]" 1
1937 2 64 MET QB 2 67 THR H 0.000 . 4.800 2.276 2.276 2.276 . 0 0 "[ ]" 1
1938 2 64 MET QG 2 67 THR H 0.000 . 4.800 2.617 2.617 2.617 . 0 0 "[ ]" 1
1939 2 65 LYS HA 2 68 LEU HB3 0.000 . 4.000 2.613 2.613 2.613 . 0 0 "[ ]" 1
1940 2 65 LYS HA 2 68 LEU HB2 0.000 . 3.200 2.626 2.626 2.626 . 0 0 "[ ]" 1
1941 2 68 LEU QD 2 73 LEU QB 0.000 . 6.300 1.820 1.820 1.820 . 0 0 "[ ]" 1
1942 2 65 LYS HA 2 68 LEU H 0.000 . 4.000 3.336 3.336 3.336 . 0 0 "[ ]" 1
1943 2 66 GLU HA 2 69 ARG HB3 0.000 . 4.000 2.804 2.804 2.804 . 0 0 "[ ]" 1
1944 2 66 GLU HA 2 69 ARG HB2 0.000 . 4.000 3.822 3.822 3.822 . 0 0 "[ ]" 1
1945 2 66 GLU QG 2 70 ILE MD 0.000 . 4.000 2.949 2.949 2.949 . 0 0 "[ ]" 1
1946 2 67 THR HA 2 70 ILE MD 0.000 . 4.000 2.765 2.765 2.765 . 0 0 "[ ]" 1
1947 2 67 THR HA 2 70 ILE H 0.000 . 4.000 3.088 3.088 3.088 . 0 0 "[ ]" 1
1948 2 68 LEU HA 2 71 THR HB 0.000 . 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 1
1949 2 71 THR HB 2 73 LEU QD 0.000 . 5.500 3.068 3.068 3.068 . 0 0 "[ ]" 1
1950 2 71 THR HB 2 73 LEU HG 0.000 . 4.000 2.419 2.419 2.419 . 0 0 "[ ]" 1
1951 2 71 THR MG 2 73 LEU HG 0.000 . 4.000 3.359 3.359 3.359 . 0 0 "[ ]" 1
1952 2 67 THR HA 2 71 THR H 0.000 . 5.000 3.601 3.601 3.601 . 0 0 "[ ]" 1
1953 2 67 THR MG 2 71 THR H 0.000 . 5.800 3.544 3.544 3.544 . 0 0 "[ ]" 1
1954 2 68 LEU HA 2 71 THR H 0.000 . 4.000 3.765 3.765 3.765 . 0 0 "[ ]" 1
1955 2 69 ARG QB 2 71 THR H 0.000 . 5.800 4.755 4.755 4.755 . 0 0 "[ ]" 1
1956 2 71 THR H 2 73 LEU H 0.000 . 4.000 4.029 4.029 4.029 0.029 1 0 "[ ]" 1
1957 2 68 LEU HA 2 73 LEU H 0.000 . 4.000 3.734 3.734 3.734 . 0 0 "[ ]" 1
1958 2 68 LEU QD 2 73 LEU H 0.000 . 5.500 3.677 3.677 3.677 . 0 0 "[ ]" 1
1959 2 71 THR HA 2 73 LEU H 0.000 . 4.000 4.031 4.031 4.031 0.031 1 0 "[ ]" 1
1960 2 71 THR HB 2 73 LEU H 0.000 . 3.200 2.885 2.885 2.885 . 0 0 "[ ]" 1
1961 2 69 ARG H 2 74 GLY H 0.000 . 5.000 5.051 5.051 5.051 0.051 1 0 "[ ]" 1
1962 2 72 ASN HA 2 74 GLY H 0.000 . 4.000 3.736 3.736 3.736 . 0 0 "[ ]" 1
1963 2 74 GLY H 2 76 LEU QD 0.000 . 6.500 4.730 4.730 4.730 . 0 0 "[ ]" 1
1964 2 74 GLY H 2 76 LEU H 0.000 . 5.000 4.475 4.475 4.475 . 0 0 "[ ]" 1
1965 2 72 ASN HA 2 75 ASP H 0.000 . 4.000 3.788 3.788 3.788 . 0 0 "[ ]" 1
1966 2 72 ASN QB 2 75 ASP H 0.000 . 5.800 4.945 4.945 4.945 . 0 0 "[ ]" 1
1967 2 73 LEU HA 2 75 ASP H 0.000 . 4.000 3.626 3.626 3.626 . 0 0 "[ ]" 1
1968 2 73 LEU HA 2 76 LEU QD 0.000 . 4.200 2.638 2.638 2.638 . 0 0 "[ ]" 1
1969 2 73 LEU HA 2 76 LEU HG 0.000 . 3.200 2.894 2.894 2.894 . 0 0 "[ ]" 1
1970 2 73 LEU HA 2 76 LEU H 0.000 . 4.000 3.752 3.752 3.752 . 0 0 "[ ]" 1
1971 2 74 GLY QA 2 76 LEU H 0.000 . 5.800 3.562 3.562 3.562 . 0 0 "[ ]" 1
1972 2 77 LYS H 2 80 ASP HB3 0.000 . 4.000 2.948 2.948 2.948 . 0 0 "[ ]" 1
1973 2 77 LYS H 2 80 ASP HB2 0.000 . 4.000 3.684 3.684 3.684 . 0 0 "[ ]" 1
1974 2 77 LYS H 2 80 ASP H 0.000 . 5.000 4.469 4.469 4.469 . 0 0 "[ ]" 1
1975 2 78 VAL HA 2 80 ASP QB 0.000 . 4.800 4.183 4.183 4.183 . 0 0 "[ ]" 1
1976 2 77 LYS QB 2 80 ASP H 0.000 . 4.800 4.290 4.290 4.290 . 0 0 "[ ]" 1
1977 2 78 VAL HA 2 80 ASP H 0.000 . 4.000 2.959 2.959 2.959 . 0 0 "[ ]" 1
1978 2 78 VAL MG1 2 80 ASP H 0.000 . 4.800 4.026 4.026 4.026 . 0 0 "[ ]" 1
1979 2 82 VAL HB 2 84 VAL MG1 0.000 . 4.800 4.018 4.018 4.018 . 0 0 "[ ]" 1
1980 2 82 VAL MG1 2 84 VAL MG1 0.000 . 4.300 1.901 1.901 1.901 . 0 0 "[ ]" 1
1981 2 82 VAL MG2 2 84 VAL MG1 0.000 . 4.800 1.834 1.834 1.834 . 0 0 "[ ]" 1
1982 2 82 VAL MG1 2 84 VAL H 0.000 . 4.800 4.019 4.019 4.019 . 0 0 "[ ]" 1
1983 2 88 ALA MB 2 90 PHE H 0.000 . 4.800 2.979 2.979 2.979 . 0 0 "[ ]" 1
1984 2 91 SER QB 2 93 GLU H 0.000 . 4.000 3.518 3.518 3.518 . 0 0 "[ ]" 1
1985 2 94 ILE MG 2 96 GLY H 0.000 . 4.000 3.358 3.358 3.358 . 0 0 "[ ]" 1
1986 2 38 THR HB 2 51 VAL HB 0.000 . 4.000 4.026 4.026 4.026 0.026 1 0 "[ ]" 1
1987 2 38 THR HB 2 54 ILE MD 0.000 . 4.000 3.371 3.371 3.371 . 0 0 "[ ]" 1
1988 2 7 GLN QB 2 86 ARG H 0.000 . 4.800 3.705 3.705 3.705 . 0 0 "[ ]" 1
1989 2 7 GLN H 2 85 GLU HA 0.000 . 4.000 3.167 3.167 3.167 . 0 0 "[ ]" 1
1990 2 8 GLY QA 2 29 PRO QG 0.000 . 6.600 3.351 3.351 3.351 . 0 0 "[ ]" 1
1991 2 8 GLY H 2 84 VAL MG2 0.000 . 4.800 3.682 3.682 3.682 . 0 0 "[ ]" 1
1992 2 8 GLY H 2 84 VAL H 0.000 . 4.000 3.949 3.949 3.949 . 0 0 "[ ]" 1
1993 2 9 THR HB 2 81 TRP HB3 0.000 . 3.200 2.979 2.979 2.979 . 0 0 "[ ]" 1
1994 2 9 THR HB 2 81 TRP HB2 0.000 . 5.000 4.394 4.394 4.394 . 0 0 "[ ]" 1
1995 2 9 THR H 2 29 PRO QD 0.000 . 4.800 3.984 3.984 3.984 . 0 0 "[ ]" 1
1996 2 9 THR H 2 29 PRO HG3 0.000 . 5.000 2.537 2.537 2.537 . 0 0 "[ ]" 1
1997 2 9 THR H 2 29 PRO HG2 0.000 . 5.000 3.731 3.731 3.731 . 0 0 "[ ]" 1
1998 2 9 THR H 2 84 VAL MG2 0.000 . 4.800 3.135 3.135 3.135 . 0 0 "[ ]" 1
1999 2 10 ALA HA 2 27 GLU H 0.000 . 4.000 4.068 4.068 4.068 0.068 1 0 "[ ]" 1
2000 2 10 ALA HA 2 28 LEU HA 0.000 . 4.000 3.353 3.353 3.353 . 0 0 "[ ]" 1
2001 2 10 ALA HA 2 29 PRO HD3 0.000 . 5.000 2.467 2.467 2.467 . 0 0 "[ ]" 1
2002 2 10 ALA HA 2 29 PRO HD2 0.000 . 5.000 3.796 3.796 3.796 . 0 0 "[ ]" 1
2003 2 10 ALA HA 2 82 VAL MG1 0.000 . 4.800 3.500 3.500 3.500 . 0 0 "[ ]" 1
2004 2 10 ALA MB 2 26 VAL HB 0.000 . 3.500 1.920 1.920 1.920 . 0 0 "[ ]" 1
2005 2 10 ALA H 2 81 TRP HB3 0.000 . 4.000 3.361 3.361 3.361 . 0 0 "[ ]" 1
2006 2 10 ALA H 2 81 TRP HB2 0.000 . 5.000 5.036 5.036 5.036 0.036 1 0 "[ ]" 1
2007 2 10 ALA H 2 82 VAL HB 0.000 . 5.000 4.690 4.690 4.690 . 0 0 "[ ]" 1
2008 2 10 ALA H 2 83 ASN HA 0.000 . 4.000 4.029 4.029 4.029 0.029 1 0 "[ ]" 1
2009 2 10 ALA H 2 84 VAL MG1 0.000 . 4.800 3.483 3.483 3.483 . 0 0 "[ ]" 1
2010 2 10 ALA H 2 84 VAL MG2 0.000 . 4.000 2.416 2.416 2.416 . 0 0 "[ ]" 1
2011 2 10 ALA H 2 84 VAL H 0.000 . 4.000 3.706 3.706 3.706 . 0 0 "[ ]" 1
2012 2 11 LYS HA 2 81 TRP HA 0.000 . 2.700 2.010 2.010 2.010 . 0 0 "[ ]" 1
2013 2 11 LYS HB3 2 27 GLU HB3 0.000 . 2.700 1.863 1.863 1.863 . 0 0 "[ ]" 1
2014 2 11 LYS HB3 2 81 TRP HA 0.000 . 5.000 5.032 5.032 5.032 0.032 1 0 "[ ]" 1
2015 2 11 LYS HB2 2 81 TRP HA 0.000 . 5.000 4.275 4.275 4.275 . 0 0 "[ ]" 1
2016 2 11 LYS QE 2 79 GLY QA 0.000 . 4.200 3.318 3.318 3.318 . 0 0 "[ ]" 1
2017 2 11 LYS H 2 27 GLU HB3 0.000 . 4.000 2.745 2.745 2.745 . 0 0 "[ ]" 1
2018 2 11 LYS H 2 27 GLU HB2 0.000 . 4.000 3.460 3.460 3.460 . 0 0 "[ ]" 1
2019 2 11 LYS H 2 27 GLU QG 0.000 . 5.800 4.591 4.591 4.591 . 0 0 "[ ]" 1
2020 2 12 LEU QD 2 24 HIS HA 0.000 . 5.500 3.671 3.671 3.671 . 0 0 "[ ]" 1
2021 2 12 LEU QD 2 24 HIS HB3 0.000 . 5.500 2.626 2.626 2.626 . 0 0 "[ ]" 1
2022 2 12 LEU QD 2 76 LEU HA 0.000 . 4.700 3.498 3.498 3.498 . 0 0 "[ ]" 1
2023 2 12 LEU QD 2 76 LEU HB3 0.000 . 4.700 2.184 2.184 2.184 . 0 0 "[ ]" 1
2024 2 12 LEU QD 2 76 LEU HB2 0.000 . 4.700 3.295 3.295 3.295 . 0 0 "[ ]" 1
2025 2 12 LEU QD 2 77 LYS HA 0.000 . 6.500 2.577 2.577 2.577 . 0 0 "[ ]" 1
2026 2 12 LEU QD 2 77 LYS H 0.000 . 5.500 2.311 2.311 2.311 . 0 0 "[ ]" 1
2027 2 12 LEU QD 2 78 VAL HA 0.000 . 4.700 2.342 2.342 2.342 . 0 0 "[ ]" 1
2028 2 12 LEU QD 2 79 GLY H 0.000 . 5.500 3.926 3.926 3.926 . 0 0 "[ ]" 1
2029 2 12 LEU QD 2 80 ASP HB3 0.000 . 5.500 3.123 3.123 3.123 . 0 0 "[ ]" 1
2030 2 12 LEU QD 2 80 ASP HB2 0.000 . 5.500 4.095 4.095 4.095 . 0 0 "[ ]" 1
2031 2 12 LEU QD 2 80 ASP H 0.000 . 4.700 3.426 3.426 3.426 . 0 0 "[ ]" 1
2032 2 12 LEU QD 2 81 TRP HA 0.000 . 6.500 4.751 4.751 4.751 . 0 0 "[ ]" 1
2033 2 12 LEU H 2 80 ASP H 0.000 . 5.000 4.027 4.027 4.027 . 0 0 "[ ]" 1
2034 2 12 LEU H 2 81 TRP HA 0.000 . 4.000 2.430 2.430 2.430 . 0 0 "[ ]" 1
2035 2 13 VAL HA 2 79 GLY QA 0.000 . 5.800 4.327 4.327 4.327 . 0 0 "[ ]" 1
2036 2 13 VAL MG1 2 26 VAL HA 0.000 . 4.000 2.543 2.543 2.543 . 0 0 "[ ]" 1
2037 2 13 VAL MG1 2 27 GLU HA 0.000 . 5.800 3.350 3.350 3.350 . 0 0 "[ ]" 1
2038 2 13 VAL MG1 2 27 GLU H 0.000 . 4.000 3.026 3.026 3.026 . 0 0 "[ ]" 1
2039 2 13 VAL H 2 25 VAL H 0.000 . 5.000 4.362 4.362 4.362 . 0 0 "[ ]" 1
2040 2 13 VAL H 2 26 VAL HA 0.000 . 3.200 2.628 2.628 2.628 . 0 0 "[ ]" 1
2041 2 14 SER HB3 2 25 VAL HB 0.000 . 3.200 2.504 2.504 2.504 . 0 0 "[ ]" 1
2042 2 14 SER HB2 2 25 VAL HB 0.000 . 3.200 3.215 3.215 3.215 0.015 1 0 "[ ]" 1
2043 2 14 SER H 2 25 VAL HB 0.000 . 3.200 2.892 2.892 2.892 . 0 0 "[ ]" 1
2044 2 14 SER H 2 25 VAL H 0.000 . 4.000 3.570 3.570 3.570 . 0 0 "[ ]" 1
2045 2 14 SER H 2 26 VAL HA 0.000 . 4.000 4.048 4.048 4.048 0.048 1 0 "[ ]" 1
2046 2 15 ILE HA 2 24 HIS HA 0.000 . 2.700 2.378 2.378 2.378 . 0 0 "[ ]" 1
2047 2 15 ILE MD 2 77 LYS HA 0.000 . 4.000 3.344 3.344 3.344 . 0 0 "[ ]" 1
2048 2 15 ILE MD 2 78 VAL MG2 0.000 . 4.800 1.750 1.750 1.750 . 0 0 "[ ]" 1
2049 2 15 ILE MG 2 24 HIS HA 0.000 . 4.800 2.871 2.871 2.871 . 0 0 "[ ]" 1
2050 2 15 ILE H 2 78 VAL MG1 0.000 . 4.800 4.033 4.033 4.033 . 0 0 "[ ]" 1
2051 2 15 ILE H 2 78 VAL MG2 0.000 . 4.000 3.140 3.140 3.140 . 0 0 "[ ]" 1
2052 2 16 ASP HA 2 23 THR HB 0.000 . 4.000 4.051 4.051 4.051 0.051 1 0 "[ ]" 1
2053 2 16 ASP HA 2 23 THR H 0.000 . 5.000 4.963 4.963 4.963 . 0 0 "[ ]" 1
2054 2 16 ASP QB 2 25 VAL MG2 0.000 . 5.600 3.173 3.173 3.173 . 0 0 "[ ]" 1
2055 2 16 ASP HB3 2 23 THR HB 0.000 . 2.700 2.312 2.312 2.312 . 0 0 "[ ]" 1
2056 2 16 ASP HB3 2 23 THR MG 0.000 . 4.800 2.935 2.935 2.935 . 0 0 "[ ]" 1
2057 2 16 ASP HB2 2 23 THR HB 0.000 . 3.200 1.839 1.839 1.839 . 0 0 "[ ]" 1
2058 2 16 ASP HB2 2 23 THR MG 0.000 . 4.800 2.184 2.184 2.184 . 0 0 "[ ]" 1
2059 2 16 ASP H 2 23 THR HB 0.000 . 3.200 3.218 3.218 3.218 0.018 1 0 "[ ]" 1
2060 2 16 ASP H 2 23 THR MG 0.000 . 4.800 3.456 3.456 3.456 . 0 0 "[ ]" 1
2061 2 16 ASP H 2 24 HIS HA 0.000 . 3.200 2.741 2.741 2.741 . 0 0 "[ ]" 1
2062 2 16 ASP H 2 25 VAL H 0.000 . 5.000 4.010 4.010 4.010 . 0 0 "[ ]" 1
2063 2 17 GLU H 2 23 THR HB 0.000 . 5.000 4.737 4.737 4.737 . 0 0 "[ ]" 1
2064 2 15 ILE MG 2 22 ARG QD 0.000 . 6.600 4.127 4.127 4.127 . 0 0 "[ ]" 1
2065 2 22 ARG QD 2 63 LEU QD 0.000 . 6.300 3.447 3.447 3.447 . 0 0 "[ ]" 1
2066 2 22 ARG QD 2 65 LYS H 0.000 . 5.800 4.926 4.926 4.926 . 0 0 "[ ]" 1
2067 2 22 ARG QD 2 68 LEU MD1 0.000 . 4.800 2.763 2.763 2.763 . 0 0 "[ ]" 1
2068 2 22 ARG QD 2 68 LEU MD2 0.000 . 4.800 2.003 2.003 2.003 . 0 0 "[ ]" 1
2069 2 15 ILE MD 2 22 ARG HE 0.000 . 4.800 3.802 3.802 3.802 . 0 0 "[ ]" 1
2070 2 15 ILE MG 2 22 ARG HE 0.000 . 4.000 2.457 2.457 2.457 . 0 0 "[ ]" 1
2071 2 22 ARG HE 2 63 LEU QD 0.000 . 6.500 4.724 4.724 4.724 . 0 0 "[ ]" 1
2072 2 22 ARG HE 2 68 LEU QD 0.000 . 4.700 3.494 3.494 3.494 . 0 0 "[ ]" 1
2073 2 22 ARG H 2 63 LEU QB 0.000 . 4.800 4.174 4.174 4.174 . 0 0 "[ ]" 1
2074 2 23 THR MG 2 60 SER QB 0.000 . 4.800 2.141 2.141 2.141 . 0 0 "[ ]" 1
2075 2 15 ILE MG 2 23 THR H 0.000 . 4.800 3.840 3.840 3.840 . 0 0 "[ ]" 1
2076 2 16 ASP QB 2 23 THR H 0.000 . 4.000 3.588 3.588 3.588 . 0 0 "[ ]" 1
2077 2 16 ASP H 2 23 THR H 0.000 . 4.000 3.717 3.717 3.717 . 0 0 "[ ]" 1
2078 2 17 GLU HA 2 23 THR H 0.000 . 3.200 2.893 2.893 2.893 . 0 0 "[ ]" 1
2079 2 12 LEU QD 2 24 HIS HB2 0.000 . 6.500 3.900 3.900 3.900 . 0 0 "[ ]" 1
2080 2 15 ILE HA 2 24 HIS HD2 0.000 . 4.000 2.260 2.260 2.260 . 0 0 "[ ]" 1
2081 2 15 ILE MD 2 24 HIS HD2 0.000 . 4.000 3.335 3.335 3.335 . 0 0 "[ ]" 1
2082 2 15 ILE MG 2 24 HIS HD2 0.000 . 3.500 2.547 2.547 2.547 . 0 0 "[ ]" 1
2083 2 16 ASP H 2 24 HIS HD2 0.000 . 4.000 4.021 4.021 4.021 0.021 1 0 "[ ]" 1
2084 2 15 ILE MG 2 24 HIS HE1 0.000 . 3.500 2.945 2.945 2.945 . 0 0 "[ ]" 1
2085 2 24 HIS H 2 61 PHE H 0.000 . 4.000 2.734 2.734 2.734 . 0 0 "[ ]" 1
2086 2 24 HIS H 2 63 LEU QD 0.000 . 4.700 3.514 3.514 3.514 . 0 0 "[ ]" 1
2087 2 25 VAL HA 2 60 SER HA 0.000 . 2.700 1.810 1.810 1.810 . 0 0 "[ ]" 1
2088 2 13 VAL MG1 2 25 VAL HB 0.000 . 4.800 2.957 2.957 2.957 . 0 0 "[ ]" 1
2089 2 13 VAL H 2 25 VAL HB 0.000 . 4.000 4.041 4.041 4.041 0.041 1 0 "[ ]" 1
2090 2 25 VAL MG1 2 59 VAL H 0.000 . 4.000 2.482 2.482 2.482 . 0 0 "[ ]" 1
2091 2 12 LEU QD 2 25 VAL H 0.000 . 6.500 2.934 2.934 2.934 . 0 0 "[ ]" 1
2092 2 14 SER QB 2 25 VAL H 0.000 . 5.800 3.895 3.895 3.895 . 0 0 "[ ]" 1
2093 2 15 ILE HA 2 25 VAL H 0.000 . 3.200 2.953 2.953 2.953 . 0 0 "[ ]" 1
2094 2 12 LEU HA 2 26 VAL HA 0.000 . 3.200 2.145 2.145 2.145 . 0 0 "[ ]" 1
2095 2 10 ALA HA 2 26 VAL HB 0.000 . 4.000 3.936 3.936 3.936 . 0 0 "[ ]" 1
2096 2 12 LEU HA 2 26 VAL HB 0.000 . 4.000 3.529 3.529 3.529 . 0 0 "[ ]" 1
2097 2 12 LEU HA 2 26 VAL MG1 0.000 . 4.000 2.418 2.418 2.418 . 0 0 "[ ]" 1
2098 2 26 VAL H 2 58 HIS HA 0.000 . 5.000 4.389 4.389 4.389 . 0 0 "[ ]" 1
2099 2 26 VAL H 2 60 SER HA 0.000 . 4.000 3.675 3.675 3.675 . 0 0 "[ ]" 1
2100 2 27 GLU HA 2 58 HIS HD2 0.000 . 3.200 1.830 1.830 1.830 . 0 0 "[ ]" 1
2101 2 13 VAL MG1 2 27 GLU HG3 0.000 . 5.800 3.557 3.557 3.557 . 0 0 "[ ]" 1
2102 2 13 VAL MG1 2 27 GLU HG2 0.000 . 5.800 4.778 4.778 4.778 . 0 0 "[ ]" 1
2103 2 11 LYS QB 2 27 GLU H 0.000 . 4.000 2.634 2.634 2.634 . 0 0 "[ ]" 1
2104 2 11 LYS H 2 27 GLU H 0.000 . 3.200 2.153 2.153 2.153 . 0 0 "[ ]" 1
2105 2 12 LEU HA 2 27 GLU H 0.000 . 4.000 3.926 3.926 3.926 . 0 0 "[ ]" 1
2106 2 28 LEU H 2 57 ASN HB3 0.000 . 5.000 5.105 5.105 5.105 0.105 1 0 "[ ]" 1
2107 2 28 LEU H 2 57 ASN HB2 0.000 . 5.000 4.210 4.210 4.210 . 0 0 "[ ]" 1
2108 2 28 LEU H 2 57 ASN HD21 0.000 . 4.000 1.805 1.805 1.805 . 0 0 "[ ]" 1
2109 2 28 LEU H 2 57 ASN HD22 0.000 . 3.200 2.117 2.117 2.117 . 0 0 "[ ]" 1
2110 2 28 LEU H 2 59 VAL HB 0.000 . 5.000 4.970 4.970 4.970 . 0 0 "[ ]" 1
2111 2 28 LEU H 2 59 VAL MG2 0.000 . 4.800 3.722 3.722 3.722 . 0 0 "[ ]" 1
2112 2 8 GLY QA 2 29 PRO HG3 0.000 . 5.800 3.710 3.710 3.710 . 0 0 "[ ]" 1
2113 2 8 GLY QA 2 29 PRO HG2 0.000 . 5.800 3.818 3.818 3.818 . 0 0 "[ ]" 1
2114 2 33 LEU QD 2 57 ASN HB3 0.000 . 5.500 2.821 2.821 2.821 . 0 0 "[ ]" 1
2115 2 37 GLU H 2 54 ILE MD 0.000 . 4.800 4.004 4.004 4.004 . 0 0 "[ ]" 1
2116 2 38 THR HA 2 51 VAL HB 0.000 . 2.700 1.900 1.900 1.900 . 0 0 "[ ]" 1
2117 2 38 THR MG 2 51 VAL HB 0.000 . 4.000 3.173 3.173 3.173 . 0 0 "[ ]" 1
2118 2 38 THR MG 2 53 GLU HA 0.000 . 4.000 1.728 1.728 1.728 . 0 0 "[ ]" 1
2119 2 38 THR MG 2 53 GLU H 0.000 . 4.000 3.056 3.056 3.056 . 0 0 "[ ]" 1
2120 2 38 THR H 2 54 ILE MD 0.000 . 4.000 1.908 1.908 1.908 . 0 0 "[ ]" 1
2121 2 38 THR H 2 54 ILE QG 0.000 . 4.800 3.839 3.839 3.839 . 0 0 "[ ]" 1
2122 2 39 GLY HA3 2 50 THR MG 0.000 . 4.000 3.374 3.374 3.374 . 0 0 "[ ]" 1
2123 2 39 GLY HA2 2 50 THR MG 0.000 . 4.000 2.037 2.037 2.037 . 0 0 "[ ]" 1
2124 2 39 GLY H 2 51 VAL HB 0.000 . 3.200 1.790 1.790 1.790 . 0 0 "[ ]" 1
2125 2 39 GLY H 2 51 VAL MG1 0.000 . 4.000 3.137 3.137 3.137 . 0 0 "[ ]" 1
2126 2 39 GLY H 2 51 VAL MG2 0.000 . 4.000 3.380 3.380 3.380 . 0 0 "[ ]" 1
2127 2 39 GLY H 2 51 VAL H 0.000 . 3.200 3.079 3.079 3.079 . 0 0 "[ ]" 1
2128 2 40 ALA MB 2 51 VAL HB 0.000 . 4.000 3.359 3.359 3.359 . 0 0 "[ ]" 1
2129 2 40 ALA H 2 50 THR MG 0.000 . 4.800 3.528 3.528 3.528 . 0 0 "[ ]" 1
2130 2 40 ALA H 2 51 VAL HB 0.000 . 3.200 2.435 2.435 2.435 . 0 0 "[ ]" 1
2131 2 40 ALA H 2 51 VAL MG1 0.000 . 4.800 3.847 3.847 3.847 . 0 0 "[ ]" 1
2132 2 41 SER H 2 87 ALA MB 0.000 . 4.800 3.615 3.615 3.615 . 0 0 "[ ]" 1
2133 2 41 SER H 2 87 ALA H 0.000 . 4.000 3.736 3.736 3.736 . 0 0 "[ ]" 1
2134 2 41 SER H 2 88 ALA HA 0.000 . 4.000 3.798 3.798 3.798 . 0 0 "[ ]" 1
2135 2 41 SER HB3 2 48 CYS HB2 0.000 . 4.000 4.020 4.020 4.020 0.020 1 0 "[ ]" 1
2136 2 41 SER HB2 2 48 CYS HB2 0.000 . 4.000 3.249 3.249 3.249 . 0 0 "[ ]" 1
2137 2 42 VAL H 2 49 LEU H 0.000 . 4.000 3.153 3.153 3.153 . 0 0 "[ ]" 1
2138 2 42 VAL H 2 50 THR HA 0.000 . 3.200 3.213 3.213 3.213 0.013 1 0 "[ ]" 1
2139 2 43 ALA H 2 85 GLU H 0.000 . 3.200 2.757 2.757 2.757 . 0 0 "[ ]" 1
2140 2 43 ALA H 2 86 ARG HA 0.000 . 5.000 4.140 4.140 4.140 . 0 0 "[ ]" 1
2141 2 44 HIS HE2 2 84 VAL MG1 0.000 . 4.800 3.372 3.372 3.372 . 0 0 "[ ]" 1
2142 2 6 VAL MG2 2 45 ASN HA 0.000 . 5.800 2.536 2.536 2.536 . 0 0 "[ ]" 1
2143 2 45 ASN H 2 82 VAL MG2 0.000 . 4.000 2.760 2.760 2.760 . 0 0 "[ ]" 1
2144 2 45 ASN H 2 83 ASN QB 0.000 . 4.000 2.643 2.643 2.643 . 0 0 "[ ]" 1
2145 2 45 ASN H 2 84 VAL MG1 0.000 . 5.800 3.999 3.999 3.999 . 0 0 "[ ]" 1
2146 2 47 CYS HB3 2 73 LEU QD 0.000 . 4.700 2.218 2.218 2.218 . 0 0 "[ ]" 1
2147 2 47 CYS HB2 2 73 LEU QD 0.000 . 5.500 2.877 2.877 2.877 . 0 0 "[ ]" 1
2148 2 26 VAL MG1 2 49 LEU MD1 0.000 . 6.600 4.610 4.610 4.610 . 0 0 "[ ]" 1
2149 2 49 LEU MD1 2 61 PHE HB3 0.000 . 4.800 1.756 1.756 1.756 . 0 0 "[ ]" 1
2150 2 49 LEU MD1 2 61 PHE HB2 0.000 . 4.800 2.284 2.284 2.284 . 0 0 "[ ]" 1
2151 2 49 LEU QD 2 63 LEU HG 0.000 . 6.500 3.346 3.346 3.346 . 0 0 "[ ]" 1
2152 2 49 LEU QD 2 63 LEU MD1 0.000 . 6.300 1.837 1.837 1.837 . 0 0 "[ ]" 1
2153 2 49 LEU QD 2 63 LEU MD2 0.000 . 6.300 3.643 3.643 3.643 . 0 0 "[ ]" 1
2154 2 49 LEU MD2 2 73 LEU MD1 0.000 . 5.800 2.816 2.816 2.816 . 0 0 "[ ]" 1
2155 2 49 LEU MD2 2 73 LEU MD2 0.000 . 5.800 2.680 2.680 2.680 . 0 0 "[ ]" 1
2156 2 43 ALA HA 2 49 LEU H 0.000 . 3.200 3.216 3.216 3.216 0.016 1 0 "[ ]" 1
2157 2 41 SER HA 2 50 THR HA 0.000 . 3.200 2.390 2.390 2.390 . 0 0 "[ ]" 1
2158 2 39 GLY QA 2 50 THR MG 0.000 . 6.600 2.021 2.021 2.021 . 0 0 "[ ]" 1
2159 2 39 GLY H 2 50 THR MG 0.000 . 4.800 3.006 3.006 3.006 . 0 0 "[ ]" 1
2160 2 42 VAL H 2 50 THR H 0.000 . 5.000 4.904 4.904 4.904 . 0 0 "[ ]" 1
2161 2 51 VAL HA 2 61 PHE HA 0.000 . 4.000 2.348 2.348 2.348 . 0 0 "[ ]" 1
2162 2 37 GLU H 2 51 VAL MG1 0.000 . 5.800 4.834 4.834 4.834 . 0 0 "[ ]" 1
2163 2 38 THR HA 2 51 VAL MG1 0.000 . 4.000 2.003 2.003 2.003 . 0 0 "[ ]" 1
2164 2 40 ALA MB 2 51 VAL MG2 0.000 . 4.200 1.844 1.844 1.844 . 0 0 "[ ]" 1
2165 2 40 ALA H 2 51 VAL MG2 0.000 . 3.500 2.324 2.324 2.324 . 0 0 "[ ]" 1
2166 2 38 THR HA 2 51 VAL H 0.000 . 5.000 4.349 4.349 4.349 . 0 0 "[ ]" 1
2167 2 39 GLY QA 2 51 VAL H 0.000 . 5.800 3.400 3.400 3.400 . 0 0 "[ ]" 1
2168 2 40 ALA MB 2 51 VAL H 0.000 . 5.800 3.762 3.762 3.762 . 0 0 "[ ]" 1
2169 2 40 ALA H 2 51 VAL H 0.000 . 4.000 3.109 3.109 3.109 . 0 0 "[ ]" 1
2170 2 41 SER HA 2 51 VAL H 0.000 . 4.000 3.910 3.910 3.910 . 0 0 "[ ]" 1
2171 2 52 THR MG 2 61 PHE HA 0.000 . 3.500 2.235 2.235 2.235 . 0 0 "[ ]" 1
2172 2 52 THR MG 2 62 ASP H 0.000 . 4.000 2.235 2.235 2.235 . 0 0 "[ ]" 1
2173 2 52 THR H 2 60 SER QB 0.000 . 5.800 3.818 3.818 3.818 . 0 0 "[ ]" 1
2174 2 52 THR H 2 61 PHE HA 0.000 . 4.000 1.990 1.990 1.990 . 0 0 "[ ]" 1
2175 2 53 GLU QB 2 60 SER QB 0.000 . 4.700 2.420 2.420 2.420 . 0 0 "[ ]" 1
2176 2 53 GLU H 2 59 VAL MG1 0.000 . 4.800 3.878 3.878 3.878 . 0 0 "[ ]" 1
2177 2 53 GLU H 2 60 SER H 0.000 . 3.200 3.212 3.212 3.212 0.012 1 0 "[ ]" 1
2178 2 53 GLU H 2 61 PHE HA 0.000 . 4.000 4.064 4.064 4.064 0.064 1 0 "[ ]" 1
2179 2 37 GLU HA 2 54 ILE MD 0.000 . 3.500 2.056 2.056 2.056 . 0 0 "[ ]" 1
2180 2 38 THR HA 2 54 ILE MD 0.000 . 4.800 2.645 2.645 2.645 . 0 0 "[ ]" 1
2181 2 38 THR MG 2 54 ILE QG 0.000 . 4.000 1.844 1.844 1.844 . 0 0 "[ ]" 1
2182 2 38 THR HA 2 54 ILE H 0.000 . 5.000 5.030 5.030 5.030 0.030 1 0 "[ ]" 1
2183 2 38 THR MG 2 54 ILE H 0.000 . 4.000 2.078 2.078 2.078 . 0 0 "[ ]" 1
2184 2 25 VAL MG1 2 55 ASN HD21 0.000 . 4.800 2.113 2.113 2.113 . 0 0 "[ ]" 1
2185 2 25 VAL MG2 2 55 ASN HD22 0.000 . 4.800 3.238 3.238 3.238 . 0 0 "[ ]" 1
2186 2 27 GLU QG 2 57 ASN HB3 0.000 . 5.800 4.602 4.602 4.602 . 0 0 "[ ]" 1
2187 2 27 GLU QG 2 57 ASN HB2 0.000 . 5.800 4.499 4.499 4.499 . 0 0 "[ ]" 1
2188 2 27 GLU HB3 2 57 ASN HD21 0.000 . 5.800 4.701 4.701 4.701 . 0 0 "[ ]" 1
2189 2 27 GLU HB2 2 57 ASN HD21 0.000 . 5.800 5.374 5.374 5.374 . 0 0 "[ ]" 1
2190 2 27 GLU QG 2 57 ASN HD21 0.000 . 4.800 3.168 3.168 3.168 . 0 0 "[ ]" 1
2191 2 33 LEU QD 2 57 ASN HD21 0.000 . 6.500 1.982 1.982 1.982 . 0 0 "[ ]" 1
2192 2 33 LEU HG 2 57 ASN HD21 0.000 . 5.000 3.552 3.552 3.552 . 0 0 "[ ]" 1
2193 2 13 VAL MG1 2 57 ASN HD22 0.000 . 5.800 4.889 4.889 4.889 . 0 0 "[ ]" 1
2194 2 27 GLU HB3 2 57 ASN HD22 0.000 . 5.800 3.335 3.335 3.335 . 0 0 "[ ]" 1
2195 2 27 GLU HB2 2 57 ASN HD22 0.000 . 5.800 3.823 3.823 3.823 . 0 0 "[ ]" 1
2196 2 27 GLU QG 2 57 ASN HD22 0.000 . 4.800 1.754 1.754 1.754 . 0 0 "[ ]" 1
2197 2 33 LEU QD 2 57 ASN HD22 0.000 . 6.500 3.373 3.373 3.373 . 0 0 "[ ]" 1
2198 2 33 LEU HG 2 57 ASN HD22 0.000 . 5.000 5.040 5.040 5.040 0.040 1 0 "[ ]" 1
2199 2 28 LEU H 2 58 HIS HA 0.000 . 4.000 2.806 2.806 2.806 . 0 0 "[ ]" 1
2200 2 25 VAL MG1 2 58 HIS HB3 0.000 . 3.500 1.928 1.928 1.928 . 0 0 "[ ]" 1
2201 2 25 VAL MG1 2 58 HIS HB2 0.000 . 4.000 3.314 3.314 3.314 . 0 0 "[ ]" 1
2202 2 13 VAL MG1 2 58 HIS HD2 0.000 . 4.800 1.992 1.992 1.992 . 0 0 "[ ]" 1
2203 2 13 VAL MG2 2 58 HIS HD2 0.000 . 4.800 3.934 3.934 3.934 . 0 0 "[ ]" 1
2204 2 27 GLU HB3 2 58 HIS HD2 0.000 . 4.000 3.962 3.962 3.962 . 0 0 "[ ]" 1
2205 2 27 GLU HG3 2 58 HIS HD2 0.000 . 4.000 2.601 2.601 2.601 . 0 0 "[ ]" 1
2206 2 27 GLU HG2 2 58 HIS HD2 0.000 . 4.000 4.020 4.020 4.020 0.020 1 0 "[ ]" 1
2207 2 27 GLU H 2 58 HIS HD2 0.000 . 3.200 3.264 3.264 3.264 0.064 1 0 "[ ]" 1
2208 2 28 LEU H 2 58 HIS HD2 0.000 . 4.000 3.874 3.874 3.874 . 0 0 "[ ]" 1
2209 2 13 VAL HB 2 58 HIS HE1 0.000 . 5.000 4.411 4.411 4.411 . 0 0 "[ ]" 1
2210 2 13 VAL MG1 2 58 HIS HE1 0.000 . 4.000 3.349 3.349 3.349 . 0 0 "[ ]" 1
2211 2 13 VAL MG2 2 58 HIS HE1 0.000 . 4.000 2.582 2.582 2.582 . 0 0 "[ ]" 1
2212 2 26 VAL MG2 2 59 VAL HB 0.000 . 4.800 2.342 2.342 2.342 . 0 0 "[ ]" 1
2213 2 26 VAL MG2 2 59 VAL MG1 0.000 . 4.800 3.346 3.346 3.346 . 0 0 "[ ]" 1
2214 2 51 VAL HA 2 59 VAL MG1 0.000 . 4.800 3.242 3.242 3.242 . 0 0 "[ ]" 1
2215 2 25 VAL HA 2 59 VAL H 0.000 . 5.000 3.775 3.775 3.775 . 0 0 "[ ]" 1
2216 2 26 VAL HB 2 59 VAL H 0.000 . 5.000 5.028 5.028 5.028 0.028 1 0 "[ ]" 1
2217 2 26 VAL QG 2 59 VAL H 0.000 . 4.700 2.693 2.693 2.693 . 0 0 "[ ]" 1
2218 2 26 VAL H 2 59 VAL H 0.000 . 3.200 2.453 2.453 2.453 . 0 0 "[ ]" 1
2219 2 27 GLU HA 2 59 VAL H 0.000 . 4.000 3.920 3.920 3.920 . 0 0 "[ ]" 1
2220 2 25 VAL HB 2 60 SER HA 0.000 . 4.000 4.065 4.065 4.065 0.065 1 0 "[ ]" 1
2221 2 53 GLU H 2 60 SER HB3 0.000 . 4.000 4.007 4.007 4.007 0.007 1 0 "[ ]" 1
2222 2 53 GLU H 2 60 SER HB2 0.000 . 4.000 2.518 2.518 2.518 . 0 0 "[ ]" 1
2223 2 54 ILE HA 2 60 SER H 0.000 . 4.000 2.988 2.988 2.988 . 0 0 "[ ]" 1
2224 2 54 ILE MG 2 60 SER H 0.000 . 5.800 4.847 4.847 4.847 . 0 0 "[ ]" 1
2225 2 23 THR MG 2 61 PHE H 0.000 . 4.000 3.345 3.345 3.345 . 0 0 "[ ]" 1
2226 2 24 HIS HB3 2 61 PHE H 0.000 . 4.000 4.068 4.068 4.068 0.068 1 0 "[ ]" 1
2227 2 25 VAL HA 2 61 PHE H 0.000 . 3.200 3.212 3.212 3.212 0.012 1 0 "[ ]" 1
2228 2 25 VAL MG2 2 61 PHE H 0.000 . 4.800 3.463 3.463 3.463 . 0 0 "[ ]" 1
2229 2 52 THR MG 2 61 PHE H 0.000 . 4.800 3.929 3.929 3.929 . 0 0 "[ ]" 1
2230 2 23 THR HA 2 62 ASP HA 0.000 . 3.200 2.646 2.646 2.646 . 0 0 "[ ]" 1
2231 2 23 THR MG 2 62 ASP HA 0.000 . 4.800 3.390 3.390 3.390 . 0 0 "[ ]" 1
2232 2 24 HIS H 2 62 ASP HA 0.000 . 4.000 3.907 3.907 3.907 . 0 0 "[ ]" 1
2233 2 50 THR HB 2 62 ASP H 0.000 . 5.000 4.139 4.139 4.139 . 0 0 "[ ]" 1
2234 2 52 THR H 2 62 ASP H 0.000 . 4.000 3.386 3.386 3.386 . 0 0 "[ ]" 1
2235 2 21 PHE HB3 2 63 LEU H 0.000 . 5.000 3.838 3.838 3.838 . 0 0 "[ ]" 1
2236 2 21 PHE HB2 2 63 LEU H 0.000 . 5.000 5.010 5.010 5.010 0.010 1 0 "[ ]" 1
2237 2 22 ARG HA 2 63 LEU H 0.000 . 5.000 5.033 5.033 5.033 0.033 1 0 "[ ]" 1
2238 2 22 ARG H 2 63 LEU H 0.000 . 4.000 3.754 3.754 3.754 . 0 0 "[ ]" 1
2239 2 23 THR HA 2 63 LEU H 0.000 . 4.000 3.271 3.271 3.271 . 0 0 "[ ]" 1
2240 2 68 LEU HA 2 74 GLY H 0.000 . 4.000 3.087 3.087 3.087 . 0 0 "[ ]" 1
2241 2 68 LEU HG 2 74 GLY QA 0.000 . 3.500 1.878 1.878 1.878 . 0 0 "[ ]" 1
2242 2 63 LEU QD 2 73 LEU HA 0.000 . 5.500 3.797 3.797 3.797 . 0 0 "[ ]" 1
2243 2 63 LEU QD 2 73 LEU QD 0.000 . 6.200 1.712 1.712 1.712 . 0 0 "[ ]" 1
2244 2 47 CYS HB3 2 73 LEU HG 0.000 . 4.000 4.001 4.001 4.001 0.001 1 0 "[ ]" 1
2245 2 47 CYS HB2 2 73 LEU HG 0.000 . 4.000 4.041 4.041 4.041 0.041 1 0 "[ ]" 1
2246 2 63 LEU QD 2 73 LEU H 0.000 . 5.500 4.150 4.150 4.150 . 0 0 "[ ]" 1
2247 2 68 LEU QD 2 74 GLY HA3 0.000 . 4.200 2.728 2.728 2.728 . 0 0 "[ ]" 1
2248 2 68 LEU HG 2 74 GLY HA3 0.000 . 4.000 2.146 2.146 2.146 . 0 0 "[ ]" 1
2249 2 68 LEU QD 2 74 GLY HA2 0.000 . 4.200 1.779 1.779 1.779 . 0 0 "[ ]" 1
2250 2 68 LEU HG 2 74 GLY HA2 0.000 . 4.000 2.075 2.075 2.075 . 0 0 "[ ]" 1
2251 2 68 LEU QD 2 74 GLY H 0.000 . 5.500 2.477 2.477 2.477 . 0 0 "[ ]" 1
2252 2 12 LEU HB3 2 78 VAL HA 0.000 . 3.200 1.806 1.806 1.806 . 0 0 "[ ]" 1
2253 2 12 LEU HB2 2 78 VAL HA 0.000 . 3.200 3.295 3.295 3.295 0.095 1 0 "[ ]" 1
2254 2 12 LEU HG 2 78 VAL HA 0.000 . 3.200 1.932 1.932 1.932 . 0 0 "[ ]" 1
2255 2 12 LEU QD 2 78 VAL MG1 0.000 . 6.300 3.342 3.342 3.342 . 0 0 "[ ]" 1
2256 2 13 VAL HA 2 78 VAL MG1 0.000 . 3.500 2.167 2.167 2.167 . 0 0 "[ ]" 1
2257 2 14 SER HA 2 78 VAL MG1 0.000 . 4.000 2.815 2.815 2.815 . 0 0 "[ ]" 1
2258 2 14 SER QB 2 78 VAL MG1 0.000 . 5.600 4.175 4.175 4.175 . 0 0 "[ ]" 1
2259 2 14 SER H 2 78 VAL MG1 0.000 . 5.800 3.220 3.220 3.220 . 0 0 "[ ]" 1
2260 2 12 LEU QD 2 78 VAL MG2 0.000 . 5.500 2.024 2.024 2.024 . 0 0 "[ ]" 1
2261 2 12 LEU QD 2 78 VAL H 0.000 . 5.500 2.373 2.373 2.373 . 0 0 "[ ]" 1
2262 2 15 ILE MD 2 78 VAL H 0.000 . 4.000 2.583 2.583 2.583 . 0 0 "[ ]" 1
2263 2 11 LYS QG 2 79 GLY QA 0.000 . 5.500 3.793 3.793 3.793 . 0 0 "[ ]" 1
2264 2 11 LYS QG 2 79 GLY H 0.000 . 4.800 3.802 3.802 3.802 . 0 0 "[ ]" 1
2265 2 12 LEU HA 2 79 GLY H 0.000 . 5.000 4.660 4.660 4.660 . 0 0 "[ ]" 1
2266 2 12 LEU HB3 2 79 GLY H 0.000 . 4.000 2.554 2.554 2.554 . 0 0 "[ ]" 1
2267 2 12 LEU HG 2 79 GLY H 0.000 . 4.000 3.815 3.815 3.815 . 0 0 "[ ]" 1
2268 2 12 LEU H 2 79 GLY H 0.000 . 5.000 4.219 4.219 4.219 . 0 0 "[ ]" 1
2269 2 13 VAL HA 2 79 GLY H 0.000 . 5.000 3.252 3.252 3.252 . 0 0 "[ ]" 1
2270 2 12 LEU HB3 2 80 ASP H 0.000 . 3.200 2.544 2.544 2.544 . 0 0 "[ ]" 1
2271 2 12 LEU HB2 2 80 ASP H 0.000 . 4.000 3.726 3.726 3.726 . 0 0 "[ ]" 1
2272 2 11 LYS QD 2 81 TRP HD1 0.000 . 4.800 4.295 4.295 4.295 . 0 0 "[ ]" 1
2273 2 11 LYS HA 2 81 TRP HE1 0.000 . 4.000 4.026 4.026 4.026 0.026 1 0 "[ ]" 1
2274 2 11 LYS HB3 2 81 TRP HE1 0.000 . 5.000 4.734 4.734 4.734 . 0 0 "[ ]" 1
2275 2 11 LYS HB2 2 81 TRP HE1 0.000 . 5.000 3.583 3.583 3.583 . 0 0 "[ ]" 1
2276 2 11 LYS QD 2 81 TRP HE1 0.000 . 4.000 2.096 2.096 2.096 . 0 0 "[ ]" 1
2277 2 11 LYS QE 2 81 TRP HE1 0.000 . 4.000 3.467 3.467 3.467 . 0 0 "[ ]" 1
2278 2 11 LYS QG 2 81 TRP HE1 0.000 . 4.800 2.218 2.218 2.218 . 0 0 "[ ]" 1
2279 2 11 LYS QD 2 81 TRP HH2 0.000 . 4.000 3.568 3.568 3.568 . 0 0 "[ ]" 1
2280 2 11 LYS HB2 2 81 TRP HZ2 0.000 . 4.000 2.982 2.982 2.982 . 0 0 "[ ]" 1
2281 2 11 LYS QD 2 81 TRP HZ2 0.000 . 4.000 1.919 1.919 1.919 . 0 0 "[ ]" 1
2282 2 11 LYS QE 2 81 TRP HZ2 0.000 . 4.800 4.031 4.031 4.031 . 0 0 "[ ]" 1
2283 2 10 ALA MB 2 82 VAL MG2 0.000 . 4.300 3.014 3.014 3.014 . 0 0 "[ ]" 1
2284 2 44 HIS HB3 2 82 VAL MG2 0.000 . 4.800 2.087 2.087 2.087 . 0 0 "[ ]" 1
2285 2 44 HIS HB2 2 82 VAL MG2 0.000 . 4.800 3.388 3.388 3.388 . 0 0 "[ ]" 1
2286 2 44 HIS HE2 2 82 VAL MG2 0.000 . 4.800 3.662 3.662 3.662 . 0 0 "[ ]" 1
2287 2 76 LEU QD 2 82 VAL MG2 0.000 . 5.000 2.970 2.970 2.970 . 0 0 "[ ]" 1
2288 2 10 ALA H 2 82 VAL MG1 0.000 . 4.800 1.997 1.997 1.997 . 0 0 "[ ]" 1
2289 2 11 LYS HA 2 82 VAL MG1 0.000 . 5.800 3.925 3.925 3.925 . 0 0 "[ ]" 1
2290 2 44 HIS QB 2 82 VAL MG1 0.000 . 5.600 4.174 4.174 4.174 . 0 0 "[ ]" 1
2291 2 44 HIS HE2 2 82 VAL MG1 0.000 . 5.800 2.953 2.953 2.953 . 0 0 "[ ]" 1
2292 2 10 ALA MB 2 82 VAL H 0.000 . 4.800 3.125 3.125 3.125 . 0 0 "[ ]" 1
2293 2 10 ALA H 2 82 VAL H 0.000 . 3.200 2.182 2.182 2.182 . 0 0 "[ ]" 1
2294 2 11 LYS HA 2 82 VAL H 0.000 . 4.000 3.661 3.661 3.661 . 0 0 "[ ]" 1
2295 2 8 GLY H 2 83 ASN HA 0.000 . 5.000 5.038 5.038 5.038 0.038 1 0 "[ ]" 1
2296 2 9 THR HA 2 83 ASN HA 0.000 . 2.700 2.461 2.461 2.461 . 0 0 "[ ]" 1
2297 2 9 THR MG 2 83 ASN HA 0.000 . 3.500 2.341 2.341 2.341 . 0 0 "[ ]" 1
2298 2 6 VAL MG1 2 83 ASN HB3 0.000 . 4.000 2.665 2.665 2.665 . 0 0 "[ ]" 1
2299 2 6 VAL MG2 2 83 ASN HB3 0.000 . 4.000 1.921 1.921 1.921 . 0 0 "[ ]" 1
2300 2 45 ASN HA 2 83 ASN HB3 0.000 . 4.000 2.113 2.113 2.113 . 0 0 "[ ]" 1
2301 2 45 ASN HD22 2 83 ASN HB3 0.000 . 4.000 4.053 4.053 4.053 0.053 1 0 "[ ]" 1
2302 2 6 VAL MG2 2 83 ASN HB2 0.000 . 4.800 3.357 3.357 3.357 . 0 0 "[ ]" 1
2303 2 44 HIS HA 2 83 ASN HB2 0.000 . 5.000 5.020 5.020 5.020 0.020 1 0 "[ ]" 1
2304 2 45 ASN HA 2 83 ASN HB2 0.000 . 4.000 2.561 2.561 2.561 . 0 0 "[ ]" 1
2305 2 45 ASN HD22 2 83 ASN HB2 0.000 . 4.000 2.913 2.913 2.913 . 0 0 "[ ]" 1
2306 2 6 VAL HB 2 83 ASN HD21 0.000 . 4.000 2.923 2.923 2.923 . 0 0 "[ ]" 1
2307 2 45 ASN QB 2 83 ASN H 0.000 . 4.800 3.071 3.071 3.071 . 0 0 "[ ]" 1
2308 2 45 ASN H 2 83 ASN H 0.000 . 4.000 3.382 3.382 3.382 . 0 0 "[ ]" 1
2309 2 44 HIS HA 2 84 VAL HA 0.000 . 2.700 2.649 2.649 2.649 . 0 0 "[ ]" 1
2310 2 45 ASN H 2 84 VAL HA 0.000 . 5.000 3.151 3.151 3.151 . 0 0 "[ ]" 1
2311 2 32 MET ME 2 84 VAL HB 0.000 . 4.000 2.691 2.691 2.691 . 0 0 "[ ]" 1
2312 2 32 MET QG 2 84 VAL HB 0.000 . 4.800 4.274 4.274 4.274 . 0 0 "[ ]" 1
2313 2 42 VAL MG1 2 84 VAL HB 0.000 . 4.800 3.219 3.219 3.219 . 0 0 "[ ]" 1
2314 2 9 THR HA 2 84 VAL MG1 0.000 . 4.800 3.835 3.835 3.835 . 0 0 "[ ]" 1
2315 2 10 ALA MB 2 84 VAL MG1 0.000 . 4.300 1.817 1.817 1.817 . 0 0 "[ ]" 1
2316 2 42 VAL MG1 2 84 VAL MG1 0.000 . 5.600 2.202 2.202 2.202 . 0 0 "[ ]" 1
2317 2 44 HIS HA 2 84 VAL MG1 0.000 . 4.000 2.772 2.772 2.772 . 0 0 "[ ]" 1
2318 2 8 GLY QA 2 84 VAL MG2 0.000 . 5.600 3.241 3.241 3.241 . 0 0 "[ ]" 1
2319 2 9 THR HA 2 84 VAL MG2 0.000 . 4.000 2.008 2.008 2.008 . 0 0 "[ ]" 1
2320 2 10 ALA HA 2 84 VAL MG2 0.000 . 5.800 3.155 3.155 3.155 . 0 0 "[ ]" 1
2321 2 29 PRO HD3 2 84 VAL MG2 0.000 . 4.800 3.592 3.592 3.592 . 0 0 "[ ]" 1
2322 2 29 PRO HD2 2 84 VAL MG2 0.000 . 4.800 3.480 3.480 3.480 . 0 0 "[ ]" 1
2323 2 32 MET ME 2 84 VAL MG2 0.000 . 4.300 2.839 2.839 2.839 . 0 0 "[ ]" 1
2324 2 32 MET QG 2 84 VAL MG2 0.000 . 5.600 2.939 2.939 2.939 . 0 0 "[ ]" 1
2325 2 6 VAL MG1 2 84 VAL H 0.000 . 4.000 2.508 2.508 2.508 . 0 0 "[ ]" 1
2326 2 9 THR HA 2 84 VAL H 0.000 . 3.200 1.910 1.910 1.910 . 0 0 "[ ]" 1
2327 2 9 THR MG 2 84 VAL H 0.000 . 4.000 3.325 3.325 3.325 . 0 0 "[ ]" 1
2328 2 42 VAL HA 2 85 GLU H 0.000 . 4.000 4.004 4.004 4.004 0.004 1 0 "[ ]" 1
2329 2 42 VAL MG1 2 85 GLU H 0.000 . 4.000 3.075 3.075 3.075 . 0 0 "[ ]" 1
2330 2 42 VAL MG2 2 85 GLU H 0.000 . 4.800 4.005 4.005 4.005 . 0 0 "[ ]" 1
2331 2 43 ALA MB 2 85 GLU H 0.000 . 4.000 3.152 3.152 3.152 . 0 0 "[ ]" 1
2332 2 44 HIS HA 2 85 GLU H 0.000 . 4.000 4.034 4.034 4.034 0.034 1 0 "[ ]" 1
2333 2 32 MET ME 2 86 ARG H 0.000 . 4.000 3.232 3.232 3.232 . 0 0 "[ ]" 1
2334 2 41 SER HB3 2 87 ALA MB 0.000 . 4.000 3.209 3.209 3.209 . 0 0 "[ ]" 1
2335 2 41 SER HB2 2 87 ALA MB 0.000 . 4.000 1.837 1.837 1.837 . 0 0 "[ ]" 1
2336 2 42 VAL HA 2 87 ALA H 0.000 . 5.000 3.325 3.325 3.325 . 0 0 "[ ]" 1
2337 1 72 ASN HD21 2 82 VAL HA 0.000 . 2.700 2.663 2.663 2.663 . 0 0 "[ ]" 1
2338 1 72 ASN HD22 2 82 VAL HA 0.000 . 3.200 2.828 2.828 2.828 . 0 0 "[ ]" 1
2339 1 72 ASN HB3 2 82 VAL HA 0.000 . 4.000 3.243 3.243 3.243 . 0 0 "[ ]" 1
2340 1 72 ASN HB2 2 82 VAL HA 0.000 . 4.000 2.420 2.420 2.420 . 0 0 "[ ]" 1
2341 1 72 ASN HD21 2 83 ASN H 0.000 . 4.000 1.840 1.840 1.840 . 0 0 "[ ]" 1
2342 1 72 ASN HD22 2 83 ASN H 0.000 . 3.200 3.272 3.272 3.272 0.072 1 0 "[ ]" 1
2343 1 72 ASN HD21 2 83 ASN HB3 0.000 . 4.000 4.193 4.193 4.193 0.193 1 0 "[ ]" 1
2344 1 72 ASN HD21 2 82 VAL MG2 0.000 . 4.800 2.551 2.551 2.551 . 0 0 "[ ]" 1
2345 1 72 ASN HD22 2 82 VAL MG2 0.000 . 4.000 3.333 3.333 3.333 . 0 0 "[ ]" 1
2346 1 72 ASN HD21 2 82 VAL HB 0.000 . 4.000 4.097 4.097 4.097 0.097 1 0 "[ ]" 1
2347 1 72 ASN HD22 2 82 VAL HB 0.000 . 5.000 3.902 3.902 3.902 . 0 0 "[ ]" 1
2348 1 83 ASN H 2 72 ASN HB3 0.000 . 4.000 2.026 2.026 2.026 . 0 0 "[ ]" 1
2349 1 83 ASN H 2 72 ASN HB2 0.000 . 4.000 2.447 2.447 2.447 . 0 0 "[ ]" 1
2350 1 4 GLY QA 2 48 CYS H 0.000 . 4.800 3.294 3.294 3.294 . 0 0 "[ ]" 1
2351 1 41 SER HB3 2 2 PHE HZ 0.000 . 2.700 2.399 2.399 2.399 . 0 0 "[ ]" 1
2352 1 41 SER HB2 2 2 PHE HZ 0.000 . 2.700 2.210 2.210 2.210 . 0 0 "[ ]" 1
2353 1 9 THR MG 2 71 THR HA 0.000 . 4.000 3.348 3.348 3.348 . 0 0 "[ ]" 1
2354 1 9 THR MG 2 72 ASN HB3 0.000 . 4.800 4.028 4.028 4.028 . 0 0 "[ ]" 1
2355 1 9 THR MG 2 72 ASN HB2 0.000 . 4.800 3.427 3.427 3.427 . 0 0 "[ ]" 1
2356 1 71 THR HB 2 45 ASN HD22 0.000 . 4.000 3.643 3.643 3.643 . 0 0 "[ ]" 1
2357 1 72 ASN H 2 45 ASN HD22 0.000 . 4.000 2.767 2.767 2.767 . 0 0 "[ ]" 1
2358 1 73 LEU QD 2 45 ASN HD21 0.000 . 5.800 3.847 3.847 3.847 . 0 0 "[ ]" 1
2359 1 73 LEU QD 2 45 ASN HD22 0.000 . 4.800 2.510 2.510 2.510 . 0 0 "[ ]" 1
2360 1 73 LEU HG 2 45 ASN HD22 0.000 . 5.000 3.059 3.059 3.059 . 0 0 "[ ]" 1
2361 1 45 ASN HA 2 72 ASN HD21 0.000 . 4.000 4.026 4.026 4.026 0.026 1 0 "[ ]" 1
2362 1 45 ASN H 2 72 ASN HD21 0.000 . 4.000 4.011 4.011 4.011 0.011 1 0 "[ ]" 1
2363 1 45 ASN HB3 2 72 ASN HD21 0.000 . 4.000 3.762 3.762 3.762 . 0 0 "[ ]" 1
2364 1 45 ASN HB2 2 72 ASN HD21 0.000 . 3.200 2.095 2.095 2.095 . 0 0 "[ ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 11
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 2 PHE 0.000 0.000 . 0 "[ ]"
2 43 ALA 0.000 0.000 . 0 "[ ]"
2 48 CYS 0.000 0.000 . 0 "[ ]"
2 87 ALA 0.000 0.000 . 0 "[ ]"
2 88 ALA 0.000 0.000 . 0 "[ ]"
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 2 PHE QD 2 87 ALA HA 0.000 . 4.000 3.674 3.674 3.674 . 0 0 "[ ]" 2
2 1 2 PHE QE 2 87 ALA HA 0.000 . 4.000 3.571 3.571 3.571 . 0 0 "[ ]" 2
3 1 2 PHE QD 2 87 ALA MB 0.000 . 4.000 2.801 2.801 2.801 . 0 0 "[ ]" 2
4 1 2 PHE QE 2 87 ALA MB 0.000 . 3.500 2.473 2.473 2.473 . 0 0 "[ ]" 2
5 1 2 PHE QD 2 88 ALA H 0.000 . 3.200 2.838 2.838 2.838 . 0 0 "[ ]" 2
6 1 2 PHE QE 2 88 ALA H 0.000 . 4.000 2.138 2.138 2.138 . 0 0 "[ ]" 2
7 1 2 PHE QD 2 88 ALA MB 0.000 . 4.800 4.379 4.379 4.379 . 0 0 "[ ]" 2
8 1 2 PHE QD 2 43 ALA MB 0.000 . 5.800 4.385 4.385 4.385 . 0 0 "[ ]" 2
9 1 2 PHE QE 2 43 ALA MB 0.000 . 5.800 4.653 4.653 4.653 . 0 0 "[ ]" 2
10 1 2 PHE QE 2 48 CYS HB3 0.000 . 3.200 2.824 2.824 2.824 . 0 0 "[ ]" 2
11 1 2 PHE QE 2 48 CYS HB2 0.000 . 3.200 2.078 2.078 2.078 . 0 0 "[ ]" 2
stop_
save_
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