NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394770 |
1rhw   |
6096 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1rhw
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 973
_Distance_constraint_stats_list.Viol_count 408
_Distance_constraint_stats_list.Viol_total 248.004
_Distance_constraint_stats_list.Viol_max 0.262
_Distance_constraint_stats_list.Viol_rms 0.0164
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0608
_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]"
1 2 SER 0.223 0.117 3 0 "[ . 1]"
1 3 ASP 0.239 0.117 3 0 "[ . 1]"
1 4 ARG 0.236 0.084 5 0 "[ . 1]"
1 5 LYS 0.221 0.084 5 0 "[ . 1]"
1 6 ALA 0.072 0.024 2 0 "[ . 1]"
1 7 VAL 1.107 0.177 6 0 "[ . 1]"
1 8 ILE 1.104 0.177 6 0 "[ . 1]"
1 9 LYS 0.045 0.018 9 0 "[ . 1]"
1 10 ASN 0.000 0.000 . 0 "[ . 1]"
1 11 ALA 0.031 0.031 9 0 "[ . 1]"
1 12 ASP 0.000 0.000 . 0 "[ . 1]"
1 13 MET 0.096 0.096 9 0 "[ . 1]"
1 14 SER 0.313 0.096 9 0 "[ . 1]"
1 15 GLU 0.000 0.000 . 0 "[ . 1]"
1 16 GLU 0.000 0.000 . 0 "[ . 1]"
1 17 MET 0.217 0.055 1 0 "[ . 1]"
1 18 GLN 1.111 0.180 2 0 "[ . 1]"
1 19 GLN 0.647 0.130 2 0 "[ . 1]"
1 20 ASP 0.207 0.056 9 0 "[ . 1]"
1 21 ALA 1.276 0.130 2 0 "[ . 1]"
1 22 VAL 1.084 0.180 2 0 "[ . 1]"
1 23 ASP 0.000 0.000 . 0 "[ . 1]"
1 24 CYS 0.262 0.062 4 0 "[ . 1]"
1 25 ALA 0.121 0.052 3 0 "[ . 1]"
1 26 THR 0.994 0.174 9 0 "[ . 1]"
1 27 GLN 0.564 0.057 5 0 "[ . 1]"
1 28 ALA 0.000 0.000 . 0 "[ . 1]"
1 29 LEU 0.316 0.068 3 0 "[ . 1]"
1 30 GLU 0.324 0.063 7 0 "[ . 1]"
1 31 LYS 0.869 0.068 3 0 "[ . 1]"
1 32 TYR 0.714 0.063 7 0 "[ . 1]"
1 33 ASN 0.118 0.038 4 0 "[ . 1]"
1 34 ILE 1.500 0.229 10 0 "[ . 1]"
1 35 GLU 0.832 0.229 10 0 "[ . 1]"
1 36 LYS 0.024 0.024 6 0 "[ . 1]"
1 37 ASP 0.085 0.026 1 0 "[ . 1]"
1 38 ILE 1.034 0.100 3 0 "[ . 1]"
1 39 ALA 0.691 0.108 5 0 "[ . 1]"
1 40 ALA 0.833 0.157 7 0 "[ . 1]"
1 41 TYR 0.669 0.108 5 0 "[ . 1]"
1 42 ILE 2.738 0.187 9 0 "[ . 1]"
1 43 LYS 0.145 0.043 9 0 "[ . 1]"
1 44 LYS 0.596 0.092 7 0 "[ . 1]"
1 45 GLU 0.165 0.043 9 0 "[ . 1]"
1 46 PHE 1.425 0.187 9 0 "[ . 1]"
1 47 ASP 1.158 0.230 7 0 "[ . 1]"
1 48 LYS 2.481 0.230 7 0 "[ . 1]"
1 49 LYS 0.000 0.000 . 0 "[ . 1]"
1 50 TYR 2.397 0.205 6 0 "[ . 1]"
1 51 ASN 1.207 0.205 6 0 "[ . 1]"
1 52 PRO 0.605 0.099 2 0 "[ . 1]"
1 53 THR 0.748 0.099 2 0 "[ . 1]"
1 54 TRP 1.987 0.164 5 0 "[ . 1]"
1 55 HIS 0.040 0.040 1 0 "[ . 1]"
1 56 CYS 0.235 0.232 7 0 "[ . 1]"
1 57 ILE 0.260 0.079 9 0 "[ . 1]"
1 58 VAL 0.156 0.079 9 0 "[ . 1]"
1 59 GLY 0.027 0.014 7 0 "[ . 1]"
1 60 ARG 1.672 0.262 10 0 "[ . 1]"
1 61 ASN 1.498 0.262 10 0 "[ . 1]"
1 62 PHE 0.972 0.247 6 0 "[ . 1]"
1 63 GLY 0.947 0.247 6 0 "[ . 1]"
1 64 SER 0.145 0.115 3 0 "[ . 1]"
1 65 TYR 0.628 0.192 3 0 "[ . 1]"
1 66 VAL 0.207 0.192 3 0 "[ . 1]"
1 67 THR 0.284 0.070 1 0 "[ . 1]"
1 68 HIS 0.077 0.043 4 0 "[ . 1]"
1 69 GLU 0.483 0.070 1 0 "[ . 1]"
1 70 THR 1.391 0.195 2 0 "[ . 1]"
1 71 ARG 1.388 0.195 2 0 "[ . 1]"
1 72 HIS 0.072 0.026 1 0 "[ . 1]"
1 73 PHE 0.031 0.031 9 0 "[ . 1]"
1 74 ILE 0.000 0.000 . 0 "[ . 1]"
1 75 TYR 0.024 0.020 2 0 "[ . 1]"
1 76 PHE 0.526 0.061 7 0 "[ . 1]"
1 77 TYR 0.350 0.061 6 0 "[ . 1]"
1 78 LEU 1.082 0.174 9 0 "[ . 1]"
1 79 GLY 0.000 0.000 . 0 "[ . 1]"
1 80 GLN 0.000 0.000 . 0 "[ . 1]"
1 81 VAL 0.000 0.000 . 0 "[ . 1]"
1 82 ALA 0.201 0.035 9 0 "[ . 1]"
1 83 ILE 0.853 0.097 8 0 "[ . 1]"
1 84 LEU 0.880 0.232 7 0 "[ . 1]"
1 85 LEU 0.040 0.027 8 0 "[ . 1]"
1 86 PHE 0.106 0.036 7 0 "[ . 1]"
1 87 LYS 0.000 0.000 . 0 "[ . 1]"
1 88 SER 0.122 0.040 1 0 "[ . 1]"
1 89 GLY 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 SER H . . 4.000 2.930 2.253 3.633 . 0 0 "[ . 1]" 1
2 1 2 SER H 1 3 ASP H . . 4.000 3.769 2.882 4.117 0.117 3 0 "[ . 1]" 1
3 1 2 SER HA 1 3 ASP H . . 3.000 2.417 2.215 3.093 0.093 3 0 "[ . 1]" 1
4 1 3 ASP H 1 3 ASP HA . . 3.000 2.717 2.166 2.916 . 0 0 "[ . 1]" 1
5 1 3 ASP HA 1 4 ARG H . . 3.000 2.643 2.253 3.015 0.015 3 0 "[ . 1]" 1
6 1 4 ARG H 1 5 LYS H . . 4.000 2.379 1.916 3.044 . 0 0 "[ . 1]" 1
7 1 4 ARG H 1 5 LYS HA . . 4.000 4.006 3.923 4.084 0.084 5 0 "[ . 1]" 1
8 1 4 ARG HA 1 5 LYS H . . 4.000 3.346 2.721 3.650 . 0 0 "[ . 1]" 1
9 1 4 ARG HA 1 5 LYS QB . . 5.600 4.353 4.000 4.861 . 0 0 "[ . 1]" 1
10 1 4 ARG HB2 1 5 LYS HA . . 5.000 4.848 4.707 5.003 0.003 9 0 "[ . 1]" 1
11 1 4 ARG HB3 1 5 LYS HA . . 5.000 4.735 4.452 4.979 . 0 0 "[ . 1]" 1
12 1 5 LYS HA 1 6 ALA H . . 3.000 2.581 2.187 2.976 . 0 0 "[ . 1]" 1
13 1 5 LYS HA 1 7 VAL QG . . 7.400 4.480 3.738 5.162 . 0 0 "[ . 1]" 1
14 1 5 LYS QB 1 6 ALA H . . 5.600 2.774 1.930 4.028 . 0 0 "[ . 1]" 1
15 1 6 ALA HA 1 7 VAL H . . 4.000 2.517 2.187 3.642 . 0 0 "[ . 1]" 1
16 1 6 ALA HA 1 78 LEU HA . . 4.000 3.922 3.437 4.024 0.024 2 0 "[ . 1]" 1
17 1 6 ALA HA 1 78 LEU QD . . 7.400 3.964 3.547 4.241 . 0 0 "[ . 1]" 1
18 1 6 ALA HA 1 79 GLY H . . 4.000 3.338 2.458 3.660 . 0 0 "[ . 1]" 1
19 1 6 ALA MB 1 7 VAL H . . 6.000 3.224 2.112 3.669 . 0 0 "[ . 1]" 1
20 1 6 ALA MB 1 7 VAL QG . . 8.400 4.064 3.623 4.396 . 0 0 "[ . 1]" 1
21 1 6 ALA MB 1 22 VAL QG . . 8.400 3.016 2.110 3.502 . 0 0 "[ . 1]" 1
22 1 6 ALA MB 1 78 LEU HA . . 6.000 3.765 2.619 4.876 . 0 0 "[ . 1]" 1
23 1 7 VAL H 1 7 VAL HB . . 4.000 2.796 2.296 3.669 . 0 0 "[ . 1]" 1
24 1 7 VAL H 1 8 ILE MD . . 6.000 4.180 3.299 4.784 . 0 0 "[ . 1]" 1
25 1 7 VAL HA 1 8 ILE H . . 3.000 2.426 2.302 2.524 . 0 0 "[ . 1]" 1
26 1 7 VAL HA 1 8 ILE HB . . 4.000 4.110 4.042 4.177 0.177 6 0 "[ . 1]" 1
27 1 7 VAL HA 1 8 ILE QG . . 6.000 4.620 4.334 4.776 . 0 0 "[ . 1]" 1
28 1 7 VAL HB 1 77 TYR H . . 5.000 3.877 3.445 4.283 . 0 0 "[ . 1]" 1
29 1 7 VAL HB 1 77 TYR HB2 . . 4.000 3.734 3.342 4.003 0.003 7 0 "[ . 1]" 1
30 1 7 VAL HB 1 77 TYR HB3 . . 4.000 2.890 2.265 3.403 . 0 0 "[ . 1]" 1
31 1 7 VAL HB 1 77 TYR CG . . 7.200 4.724 3.992 5.074 . 0 0 "[ . 1]" 1
32 1 7 VAL QG 1 8 ILE H . . 7.400 2.027 1.815 3.169 . 0 0 "[ . 1]" 1
33 1 7 VAL QG 1 77 TYR QB . . 8.400 3.108 1.847 3.574 . 0 0 "[ . 1]" 1
34 1 8 ILE H 1 8 ILE HB . . 4.000 2.609 2.413 2.788 . 0 0 "[ . 1]" 1
35 1 8 ILE HA 1 9 LYS H . . 4.000 2.237 2.188 2.327 . 0 0 "[ . 1]" 1
36 1 8 ILE HA 1 76 PHE HA . . 4.000 2.765 2.589 2.906 . 0 0 "[ . 1]" 1
37 1 8 ILE HA 1 76 PHE HB2 . . 4.000 2.135 1.959 2.334 . 0 0 "[ . 1]" 1
38 1 8 ILE HA 1 76 PHE HB3 . . 4.000 2.274 2.092 2.556 . 0 0 "[ . 1]" 1
39 1 8 ILE HA 1 77 TYR H . . 4.000 2.962 2.533 3.079 . 0 0 "[ . 1]" 1
40 1 8 ILE HA 1 77 TYR QB . . 5.000 4.416 3.946 4.552 . 0 0 "[ . 1]" 1
41 1 8 ILE HB 1 22 VAL QG . . 7.400 4.156 3.828 4.421 . 0 0 "[ . 1]" 1
42 1 8 ILE HB 1 76 PHE HB2 . . 5.000 4.547 4.362 4.810 . 0 0 "[ . 1]" 1
43 1 8 ILE HB 1 76 PHE HB3 . . 5.000 4.294 4.103 4.387 . 0 0 "[ . 1]" 1
44 1 8 ILE QG 1 22 VAL QG . . 8.400 2.248 1.919 2.506 . 0 0 "[ . 1]" 1
45 1 8 ILE QG 1 74 ILE MD . . 4.900 2.972 2.759 3.249 . 0 0 "[ . 1]" 1
46 1 8 ILE QG 1 76 PHE HB2 . . 6.000 2.066 1.972 2.283 . 0 0 "[ . 1]" 1
47 1 8 ILE QG 1 76 PHE HB3 . . 6.000 2.028 1.918 2.379 . 0 0 "[ . 1]" 1
48 1 8 ILE MG 1 10 ASN H . . 6.000 3.458 2.869 4.061 . 0 0 "[ . 1]" 1
49 1 8 ILE MG 1 10 ASN HA . . 6.000 3.756 3.380 4.123 . 0 0 "[ . 1]" 1
50 1 8 ILE MG 1 11 ALA MB . . 7.000 2.380 1.899 2.725 . 0 0 "[ . 1]" 1
51 1 8 ILE MG 1 74 ILE HG12 . . 6.000 4.778 4.228 4.894 . 0 0 "[ . 1]" 1
52 1 8 ILE MG 1 74 ILE HG13 . . 6.000 3.775 3.484 4.791 . 0 0 "[ . 1]" 1
53 1 8 ILE MG 1 74 ILE MD . . 7.000 3.444 2.339 3.918 . 0 0 "[ . 1]" 1
54 1 8 ILE MG 1 75 TYR H . . 6.000 4.632 4.160 4.841 . 0 0 "[ . 1]" 1
55 1 8 ILE MG 1 76 PHE HB2 . . 6.000 3.860 3.394 4.057 . 0 0 "[ . 1]" 1
56 1 8 ILE MG 1 76 PHE HB3 . . 6.000 2.749 2.355 2.987 . 0 0 "[ . 1]" 1
57 1 9 LYS H 1 10 ASN H . . 4.000 2.758 2.496 3.241 . 0 0 "[ . 1]" 1
58 1 9 LYS H 1 76 PHE HA . . 4.000 2.087 1.940 2.248 . 0 0 "[ . 1]" 1
59 1 9 LYS H 1 76 PHE HB2 . . 5.000 3.508 3.260 3.723 . 0 0 "[ . 1]" 1
60 1 9 LYS H 1 76 PHE HB3 . . 5.000 2.805 2.640 3.161 . 0 0 "[ . 1]" 1
61 1 9 LYS H 1 77 TYR H . . 4.000 3.936 3.727 4.018 0.018 9 0 "[ . 1]" 1
62 1 9 LYS HA 1 10 ASN H . . 4.000 3.610 3.517 3.639 . 0 0 "[ . 1]" 1
63 1 9 LYS HB2 1 10 ASN H . . 5.000 2.397 2.126 2.613 . 0 0 "[ . 1]" 1
64 1 9 LYS HB3 1 10 ASN H . . 5.000 2.625 1.970 3.110 . 0 0 "[ . 1]" 1
65 1 9 LYS QB 1 75 TYR QB . . 7.000 3.725 3.275 4.181 . 0 0 "[ . 1]" 1
66 1 9 LYS QB 1 75 TYR CG . . 8.200 3.600 3.078 4.854 . 0 0 "[ . 1]" 1
67 1 9 LYS QG 1 77 TYR H . . 6.000 4.829 3.413 5.373 . 0 0 "[ . 1]" 1
68 1 9 LYS QD 1 10 ASN H . . 6.000 4.304 3.792 4.681 . 0 0 "[ . 1]" 1
69 1 9 LYS QD 1 77 TYR QB . . 7.000 3.427 2.293 4.713 . 0 0 "[ . 1]" 1
70 1 9 LYS QE 1 75 TYR QB . . 7.000 5.237 4.418 5.616 . 0 0 "[ . 1]" 1
71 1 9 LYS QE 1 77 TYR H . . 6.000 3.783 2.208 5.010 . 0 0 "[ . 1]" 1
72 1 9 LYS QE 1 77 TYR HA . . 6.000 4.070 3.354 4.964 . 0 0 "[ . 1]" 1
73 1 9 LYS QE 1 77 TYR QB . . 7.000 2.810 2.169 3.951 . 0 0 "[ . 1]" 1
74 1 9 LYS QE 1 82 ALA HA . . 6.000 4.413 3.960 5.181 . 0 0 "[ . 1]" 1
75 1 10 ASN H 1 75 TYR H . . 5.000 3.524 3.026 4.029 . 0 0 "[ . 1]" 1
76 1 10 ASN H 1 75 TYR HB2 . . 5.000 4.774 4.618 4.998 . 0 0 "[ . 1]" 1
77 1 10 ASN H 1 75 TYR HB3 . . 5.000 3.204 3.042 3.585 . 0 0 "[ . 1]" 1
78 1 10 ASN H 1 76 PHE QB . . 6.000 4.388 3.882 5.065 . 0 0 "[ . 1]" 1
79 1 10 ASN HA 1 11 ALA H . . 3.000 2.308 2.256 2.436 . 0 0 "[ . 1]" 1
80 1 10 ASN QB 1 11 ALA H . . 4.600 3.563 3.240 3.970 . 0 0 "[ . 1]" 1
81 1 10 ASN QB 1 75 TYR CG . . 8.200 4.296 3.444 5.416 . 0 0 "[ . 1]" 1
82 1 11 ALA H 1 74 ILE QG . . 6.000 5.078 4.969 5.471 . 0 0 "[ . 1]" 1
83 1 11 ALA HA 1 12 ASP H . . 4.000 3.173 2.300 3.641 . 0 0 "[ . 1]" 1
84 1 11 ALA HA 1 73 PHE CG . . 7.200 5.909 5.555 6.282 . 0 0 "[ . 1]" 1
85 1 11 ALA HA 1 73 PHE CZ . . 7.200 6.833 6.377 7.231 0.031 9 0 "[ . 1]" 1
86 1 11 ALA HA 1 74 ILE HA . . 4.000 2.223 1.990 2.585 . 0 0 "[ . 1]" 1
87 1 11 ALA HA 1 74 ILE QG . . 6.000 3.314 2.730 4.011 . 0 0 "[ . 1]" 1
88 1 11 ALA HA 1 75 TYR H . . 5.000 3.222 2.857 3.711 . 0 0 "[ . 1]" 1
89 1 11 ALA MB 1 12 ASP H . . 6.000 2.988 2.247 3.792 . 0 0 "[ . 1]" 1
90 1 11 ALA MB 1 13 MET HB2 . . 6.000 3.783 3.084 4.889 . 0 0 "[ . 1]" 1
91 1 11 ALA MB 1 13 MET HB3 . . 6.000 4.334 4.050 4.858 . 0 0 "[ . 1]" 1
92 1 11 ALA MB 1 18 GLN QG . . 7.000 2.575 1.927 3.530 . 0 0 "[ . 1]" 1
93 1 11 ALA MB 1 74 ILE HA . . 6.000 2.987 1.911 3.581 . 0 0 "[ . 1]" 1
94 1 11 ALA MB 1 74 ILE HB . . 6.000 2.363 1.967 3.138 . 0 0 "[ . 1]" 1
95 1 11 ALA MB 1 74 ILE QG . . 7.000 2.211 1.770 2.971 . 0 0 "[ . 1]" 1
96 1 11 ALA MB 1 74 ILE MD . . 7.000 2.296 1.667 2.838 . 0 0 "[ . 1]" 1
97 1 11 ALA MB 1 75 TYR H . . 6.000 3.518 2.225 4.325 . 0 0 "[ . 1]" 1
98 1 13 MET HA 1 14 SER H . . 3.000 2.793 2.630 3.096 0.096 9 0 "[ . 1]" 1
99 1 13 MET HA 1 14 SER QB . . 4.600 4.247 4.188 4.295 . 0 0 "[ . 1]" 1
100 1 13 MET QB 1 14 SER H . . 5.600 2.274 1.944 2.733 . 0 0 "[ . 1]" 1
101 1 13 MET QB 1 18 GLN QG . . 7.000 4.079 3.120 5.030 . 0 0 "[ . 1]" 1
102 1 13 MET QB 1 74 ILE MD . . 7.000 4.377 3.933 5.021 . 0 0 "[ . 1]" 1
103 1 13 MET QG 1 17 MET H . . 6.000 4.446 3.716 5.191 . 0 0 "[ . 1]" 1
104 1 14 SER HA 1 15 GLU H . . 3.000 2.300 2.234 2.346 . 0 0 "[ . 1]" 1
105 1 14 SER HA 1 15 GLU QB . . 4.600 4.134 4.084 4.169 . 0 0 "[ . 1]" 1
106 1 14 SER HA 1 16 GLU H . . 4.000 3.802 3.737 3.849 . 0 0 "[ . 1]" 1
107 1 14 SER HA 1 17 MET H . . 5.000 4.962 4.746 5.055 0.055 1 0 "[ . 1]" 1
108 1 14 SER QB 1 15 GLU H . . 5.600 3.649 3.559 3.781 . 0 0 "[ . 1]" 1
109 1 15 GLU H 1 15 GLU HB2 . . 4.000 2.070 2.050 2.095 . 0 0 "[ . 1]" 1
110 1 15 GLU H 1 15 GLU HB3 . . 4.000 3.040 2.974 3.108 . 0 0 "[ . 1]" 1
111 1 15 GLU H 1 16 GLU H . . 4.000 2.833 2.777 2.909 . 0 0 "[ . 1]" 1
112 1 15 GLU HA 1 16 GLU H . . 4.000 3.499 3.480 3.532 . 0 0 "[ . 1]" 1
113 1 15 GLU HA 1 17 MET H . . 5.000 4.720 4.470 4.902 . 0 0 "[ . 1]" 1
114 1 15 GLU HA 1 18 GLN H . . 4.000 3.394 3.281 3.630 . 0 0 "[ . 1]" 1
115 1 15 GLU HA 1 18 GLN HB2 . . 4.000 3.526 3.334 3.753 . 0 0 "[ . 1]" 1
116 1 15 GLU HA 1 18 GLN HB3 . . 4.000 2.008 1.962 2.068 . 0 0 "[ . 1]" 1
117 1 15 GLU HA 1 19 GLN H . . 5.000 2.841 2.768 3.045 . 0 0 "[ . 1]" 1
118 1 15 GLU HA 1 19 GLN QB . . 6.000 3.212 3.026 3.507 . 0 0 "[ . 1]" 1
119 1 15 GLU HB2 1 16 GLU H . . 4.000 3.809 3.712 3.874 . 0 0 "[ . 1]" 1
120 1 15 GLU HB3 1 16 GLU H . . 4.000 3.252 3.149 3.311 . 0 0 "[ . 1]" 1
121 1 15 GLU QB 1 16 GLU HA . . 4.600 3.882 3.834 3.911 . 0 0 "[ . 1]" 1
122 1 15 GLU QB 1 19 GLN H . . 5.000 4.269 4.219 4.306 . 0 0 "[ . 1]" 1
123 1 15 GLU QB 1 19 GLN HG2 . . 6.000 5.329 5.279 5.368 . 0 0 "[ . 1]" 1
124 1 15 GLU QB 1 19 GLN HG3 . . 6.000 5.009 4.848 5.126 . 0 0 "[ . 1]" 1
125 1 15 GLU QG 1 16 GLU H . . 6.000 4.503 4.448 4.552 . 0 0 "[ . 1]" 1
126 1 15 GLU QG 1 16 GLU HA . . 6.000 4.836 4.693 5.066 . 0 0 "[ . 1]" 1
127 1 15 GLU QG 1 19 GLN HA . . 6.000 3.973 3.812 4.068 . 0 0 "[ . 1]" 1
128 1 16 GLU H 1 17 MET H . . 4.000 2.910 2.810 3.066 . 0 0 "[ . 1]" 1
129 1 16 GLU H 1 19 GLN QB . . 5.000 4.622 4.606 4.646 . 0 0 "[ . 1]" 1
130 1 16 GLU HA 1 17 MET H . . 5.000 3.643 3.634 3.646 . 0 0 "[ . 1]" 1
131 1 16 GLU HA 1 19 GLN H . . 5.000 4.100 3.989 4.238 . 0 0 "[ . 1]" 1
132 1 16 GLU HA 1 19 GLN QB . . 6.000 3.556 3.324 3.714 . 0 0 "[ . 1]" 1
133 1 16 GLU HA 1 20 ASP H . . 5.000 3.929 3.781 4.130 . 0 0 "[ . 1]" 1
134 1 16 GLU QB 1 17 MET H . . 5.600 2.415 2.065 3.296 . 0 0 "[ . 1]" 1
135 1 16 GLU QB 1 18 GLN H . . 6.000 4.362 4.172 5.127 . 0 0 "[ . 1]" 1
136 1 17 MET H 1 18 GLN H . . 4.000 2.419 2.389 2.461 . 0 0 "[ . 1]" 1
137 1 17 MET H 1 18 GLN QB . . 4.600 4.146 4.093 4.177 . 0 0 "[ . 1]" 1
138 1 17 MET HA 1 19 GLN H . . 5.000 4.490 4.426 4.542 . 0 0 "[ . 1]" 1
139 1 17 MET HA 1 20 ASP H . . 5.000 3.508 3.332 3.622 . 0 0 "[ . 1]" 1
140 1 17 MET HA 1 20 ASP QB . . 5.000 2.438 2.289 2.606 . 0 0 "[ . 1]" 1
141 1 18 GLN H 1 18 GLN HG2 . . 5.000 4.407 4.287 4.581 . 0 0 "[ . 1]" 1
142 1 18 GLN H 1 18 GLN HG3 . . 5.000 4.419 4.168 4.564 . 0 0 "[ . 1]" 1
143 1 18 GLN H 1 19 GLN H . . 5.000 2.705 2.659 2.820 . 0 0 "[ . 1]" 1
144 1 18 GLN H 1 20 ASP H . . 5.000 4.200 4.053 4.403 . 0 0 "[ . 1]" 1
145 1 18 GLN HA 1 19 GLN H . . 5.000 3.618 3.609 3.622 . 0 0 "[ . 1]" 1
146 1 18 GLN HA 1 20 ASP H . . 5.000 4.881 4.759 5.027 0.027 8 0 "[ . 1]" 1
147 1 18 GLN HA 1 21 ALA H . . 5.000 3.796 3.691 3.903 . 0 0 "[ . 1]" 1
148 1 18 GLN HA 1 21 ALA MB . . 5.000 2.777 2.657 3.137 . 0 0 "[ . 1]" 1
149 1 18 GLN HA 1 22 VAL HB . . 4.000 4.108 4.022 4.180 0.180 2 0 "[ . 1]" 1
150 1 18 GLN HA 1 74 ILE MD . . 6.000 2.766 2.144 4.837 . 0 0 "[ . 1]" 1
151 1 18 GLN QB 1 19 GLN H . . 4.600 2.568 2.495 2.681 . 0 0 "[ . 1]" 1
152 1 18 GLN QB 1 19 GLN HA . . 5.600 4.179 4.014 4.389 . 0 0 "[ . 1]" 1
153 1 18 GLN QB 1 21 ALA MB . . 7.000 4.515 4.381 4.769 . 0 0 "[ . 1]" 1
154 1 18 GLN QB 1 22 VAL QG . . 8.400 4.494 4.316 4.590 . 0 0 "[ . 1]" 1
155 1 18 GLN QB 1 74 ILE MD . . 7.000 3.700 3.115 4.768 . 0 0 "[ . 1]" 1
156 1 18 GLN QG 1 19 GLN H . . 6.000 3.673 3.083 4.184 . 0 0 "[ . 1]" 1
157 1 18 GLN QG 1 19 GLN HA . . 6.000 3.695 3.013 4.486 . 0 0 "[ . 1]" 1
158 1 18 GLN QG 1 22 VAL HB . . 6.000 3.242 2.964 3.477 . 0 0 "[ . 1]" 1
159 1 18 GLN QG 1 74 ILE QG . . 7.000 4.060 3.439 5.523 . 0 0 "[ . 1]" 1
160 1 18 GLN QG 1 74 ILE MD . . 7.000 2.680 2.011 4.909 . 0 0 "[ . 1]" 1
161 1 19 GLN H 1 19 GLN HG2 . . 5.000 4.325 4.306 4.342 . 0 0 "[ . 1]" 1
162 1 19 GLN H 1 19 GLN HG3 . . 5.000 4.612 4.602 4.617 . 0 0 "[ . 1]" 1
163 1 19 GLN H 1 20 ASP QB . . 4.600 4.277 4.245 4.306 . 0 0 "[ . 1]" 1
164 1 19 GLN H 1 21 ALA H . . 4.000 4.044 3.961 4.130 0.130 2 0 "[ . 1]" 1
165 1 19 GLN HA 1 20 ASP H . . 4.000 3.628 3.619 3.641 . 0 0 "[ . 1]" 1
166 1 19 GLN HA 1 22 VAL H . . 5.000 3.844 3.704 3.963 . 0 0 "[ . 1]" 1
167 1 19 GLN HA 1 22 VAL HB . . 5.000 3.576 3.364 3.838 . 0 0 "[ . 1]" 1
168 1 19 GLN HA 1 22 VAL QG . . 7.400 1.995 1.878 2.106 . 0 0 "[ . 1]" 1
169 1 19 GLN QB 1 20 ASP H . . 5.600 2.425 2.286 2.520 . 0 0 "[ . 1]" 1
170 1 19 GLN HG2 1 20 ASP H . . 5.000 4.975 4.880 5.056 0.056 9 0 "[ . 1]" 1
171 1 19 GLN HG3 1 20 ASP H . . 5.000 4.696 4.487 4.820 . 0 0 "[ . 1]" 1
172 1 20 ASP H 1 20 ASP HB2 . . 4.000 2.285 2.204 2.383 . 0 0 "[ . 1]" 1
173 1 20 ASP H 1 20 ASP HB3 . . 4.000 2.650 2.527 2.745 . 0 0 "[ . 1]" 1
174 1 20 ASP H 1 21 ALA H . . 4.000 2.792 2.687 2.856 . 0 0 "[ . 1]" 1
175 1 20 ASP HA 1 23 ASP H . . 4.000 3.697 3.537 3.894 . 0 0 "[ . 1]" 1
176 1 20 ASP HA 1 23 ASP HB2 . . 4.000 2.634 2.224 3.351 . 0 0 "[ . 1]" 1
177 1 20 ASP HA 1 23 ASP HB3 . . 4.000 3.181 2.570 3.549 . 0 0 "[ . 1]" 1
178 1 20 ASP HB2 1 21 ALA H . . 4.000 3.669 3.541 3.789 . 0 0 "[ . 1]" 1
179 1 20 ASP HB3 1 21 ALA H . . 4.000 2.405 2.298 2.472 . 0 0 "[ . 1]" 1
180 1 20 ASP QB 1 21 ALA HA . . 5.600 3.907 3.799 4.024 . 0 0 "[ . 1]" 1
181 1 20 ASP HB2 1 46 PHE CZ . . 7.200 5.636 5.525 5.745 . 0 0 "[ . 1]" 1
182 1 20 ASP HB3 1 46 PHE CZ . . 7.200 3.945 3.821 4.050 . 0 0 "[ . 1]" 1
183 1 20 ASP HB2 1 46 PHE HZ . . 5.000 4.759 4.616 4.807 . 0 0 "[ . 1]" 1
184 1 20 ASP HB3 1 46 PHE HZ . . 5.000 3.031 2.881 3.078 . 0 0 "[ . 1]" 1
185 1 20 ASP HB2 1 50 TYR CZ . . 7.200 6.739 5.844 7.213 0.013 5 0 "[ . 1]" 1
186 1 20 ASP HB3 1 50 TYR CZ . . 7.200 5.679 4.813 6.062 . 0 0 "[ . 1]" 1
187 1 21 ALA H 1 22 VAL H . . 4.000 2.948 2.845 3.045 . 0 0 "[ . 1]" 1
188 1 21 ALA H 1 46 PHE CZ . . 7.200 3.992 3.761 4.153 . 0 0 "[ . 1]" 1
189 1 21 ALA H 1 46 PHE HZ . . 5.000 2.999 2.761 3.159 . 0 0 "[ . 1]" 1
190 1 21 ALA HA 1 22 VAL H . . 5.000 3.637 3.631 3.642 . 0 0 "[ . 1]" 1
191 1 21 ALA HA 1 24 CYS H . . 5.000 3.411 3.265 3.594 . 0 0 "[ . 1]" 1
192 1 21 ALA HA 1 24 CYS HB2 . . 5.000 3.541 2.855 5.062 0.062 4 0 "[ . 1]" 1
193 1 21 ALA HA 1 24 CYS HB3 . . 5.000 4.704 4.083 5.042 0.042 7 0 "[ . 1]" 1
194 1 21 ALA HA 1 46 PHE CZ . . 7.200 3.184 2.814 3.353 . 0 0 "[ . 1]" 1
195 1 21 ALA HA 1 46 PHE HZ . . 3.000 2.886 2.428 3.012 0.012 2 0 "[ . 1]" 1
196 1 21 ALA HA 1 50 TYR CZ . . 7.200 7.192 6.729 7.307 0.107 10 0 "[ . 1]" 1
197 1 21 ALA MB 1 22 VAL H . . 6.000 2.084 2.012 2.192 . 0 0 "[ . 1]" 1
198 1 21 ALA MB 1 22 VAL HB . . 6.000 3.644 3.610 3.697 . 0 0 "[ . 1]" 1
199 1 21 ALA MB 1 22 VAL QG . . 8.400 3.835 3.793 3.877 . 0 0 "[ . 1]" 1
200 1 21 ALA MB 1 42 ILE MG . . 7.000 3.565 3.384 3.807 . 0 0 "[ . 1]" 1
201 1 21 ALA MB 1 46 PHE HZ . . 6.000 2.046 1.905 2.165 . 0 0 "[ . 1]" 1
202 1 21 ALA MB 1 74 ILE MG . . 7.000 2.804 2.664 3.219 . 0 0 "[ . 1]" 1
203 1 21 ALA MB 1 74 ILE MD . . 7.000 2.832 2.304 4.754 . 0 0 "[ . 1]" 1
204 1 21 ALA MB 1 76 PHE CZ . . 8.200 4.716 4.292 5.024 . 0 0 "[ . 1]" 1
205 1 21 ALA MB 1 85 LEU QB . . 7.000 4.444 4.245 4.683 . 0 0 "[ . 1]" 1
206 1 22 VAL H 1 22 VAL HB . . 4.000 2.063 2.031 2.156 . 0 0 "[ . 1]" 1
207 1 22 VAL H 1 23 ASP H . . 4.000 2.841 2.725 2.947 . 0 0 "[ . 1]" 1
208 1 22 VAL HA 1 25 ALA H . . 4.000 3.337 3.233 3.529 . 0 0 "[ . 1]" 1
209 1 22 VAL HA 1 25 ALA MB . . 4.030 2.118 1.949 2.322 . 0 0 "[ . 1]" 1
210 1 22 VAL HA 1 76 PHE CZ . . 7.200 3.421 2.969 3.937 . 0 0 "[ . 1]" 1
211 1 22 VAL HA 1 78 LEU QD . . 5.130 3.609 3.254 3.720 . 0 0 "[ . 1]" 1
212 1 22 VAL HB 1 23 ASP H . . 4.000 3.819 3.706 3.972 . 0 0 "[ . 1]" 1
213 1 22 VAL HB 1 74 ILE MD . . 6.000 2.991 2.378 4.849 . 0 0 "[ . 1]" 1
214 1 22 VAL QG 1 23 ASP H . . 7.400 2.273 2.176 2.474 . 0 0 "[ . 1]" 1
215 1 22 VAL QG 1 25 ALA MB . . 8.400 2.870 2.682 3.161 . 0 0 "[ . 1]" 1
216 1 22 VAL QG 1 74 ILE MD . . 8.400 3.022 2.601 4.302 . 0 0 "[ . 1]" 1
217 1 23 ASP H 1 23 ASP HB2 . . 4.000 2.189 2.004 2.651 . 0 0 "[ . 1]" 1
218 1 23 ASP H 1 23 ASP HB3 . . 4.000 2.870 2.280 3.274 . 0 0 "[ . 1]" 1
219 1 23 ASP H 1 24 CYS H . . 4.000 2.807 2.749 2.857 . 0 0 "[ . 1]" 1
220 1 23 ASP H 1 25 ALA H . . 4.000 3.654 3.544 3.988 . 0 0 "[ . 1]" 1
221 1 23 ASP HA 1 24 CYS H . . 4.000 3.654 3.651 3.656 . 0 0 "[ . 1]" 1
222 1 23 ASP HB2 1 24 CYS H . . 4.000 3.170 2.639 3.754 . 0 0 "[ . 1]" 1
223 1 23 ASP HB3 1 24 CYS H . . 4.000 2.217 2.018 2.365 . 0 0 "[ . 1]" 1
224 1 23 ASP QB 1 24 CYS HA . . 4.600 3.717 3.514 4.135 . 0 0 "[ . 1]" 1
225 1 24 CYS H 1 24 CYS HB2 . . 4.000 2.630 2.229 3.567 . 0 0 "[ . 1]" 1
226 1 24 CYS H 1 24 CYS HB3 . . 4.000 3.331 2.471 3.564 . 0 0 "[ . 1]" 1
227 1 24 CYS H 1 25 ALA H . . 4.000 2.646 2.562 2.805 . 0 0 "[ . 1]" 1
228 1 24 CYS HA 1 25 ALA H . . 5.000 3.569 3.534 3.632 . 0 0 "[ . 1]" 1
229 1 24 CYS HA 1 27 GLN H . . 5.000 3.786 3.635 3.890 . 0 0 "[ . 1]" 1
230 1 24 CYS HA 1 27 GLN HB2 . . 4.000 2.858 2.330 3.901 . 0 0 "[ . 1]" 1
231 1 24 CYS HA 1 27 GLN HB3 . . 4.000 3.479 2.401 3.948 . 0 0 "[ . 1]" 1
232 1 24 CYS HA 1 28 ALA H . . 5.000 3.735 3.458 4.020 . 0 0 "[ . 1]" 1
233 1 24 CYS HA 1 41 TYR CZ . . 7.200 4.995 4.686 5.130 . 0 0 "[ . 1]" 1
234 1 24 CYS HB2 1 25 ALA H . . 4.000 3.172 2.555 4.052 0.052 3 0 "[ . 1]" 1
235 1 24 CYS HB3 1 25 ALA H . . 4.000 3.868 3.632 4.036 0.036 3 0 "[ . 1]" 1
236 1 24 CYS QB 1 42 ILE HA . . 3.880 3.406 3.157 3.567 . 0 0 "[ . 1]" 1
237 1 24 CYS HB2 1 42 ILE MG . . 6.000 3.558 3.306 4.098 . 0 0 "[ . 1]" 1
238 1 24 CYS HB3 1 42 ILE MG . . 6.000 4.037 3.445 4.619 . 0 0 "[ . 1]" 1
239 1 25 ALA H 1 26 THR H . . 3.000 2.958 2.768 3.033 0.033 4 0 "[ . 1]" 1
240 1 25 ALA HA 1 27 GLN H . . 5.000 4.658 4.383 4.851 . 0 0 "[ . 1]" 1
241 1 25 ALA HA 1 28 ALA H . . 4.000 3.500 3.330 3.657 . 0 0 "[ . 1]" 1
242 1 25 ALA HA 1 28 ALA MB . . 5.000 2.567 2.185 2.725 . 0 0 "[ . 1]" 1
243 1 25 ALA HA 1 38 ILE MG . . 6.000 3.723 3.474 4.068 . 0 0 "[ . 1]" 1
244 1 25 ALA HA 1 42 ILE HG12 . . 5.000 2.123 1.960 2.369 . 0 0 "[ . 1]" 1
245 1 25 ALA HA 1 42 ILE HG13 . . 5.000 3.384 3.017 3.569 . 0 0 "[ . 1]" 1
246 1 25 ALA HA 1 42 ILE MD . . 4.030 2.159 1.960 2.452 . 0 0 "[ . 1]" 1
247 1 25 ALA MB 1 38 ILE MG . . 7.000 4.206 3.688 4.580 . 0 0 "[ . 1]" 1
248 1 25 ALA MB 1 42 ILE HG12 . . 6.000 3.206 2.420 3.379 . 0 0 "[ . 1]" 1
249 1 25 ALA MB 1 42 ILE HG13 . . 6.000 4.406 3.694 4.712 . 0 0 "[ . 1]" 1
250 1 25 ALA MB 1 42 ILE MD . . 5.060 2.312 1.857 2.811 . 0 0 "[ . 1]" 1
251 1 25 ALA MB 1 76 PHE CZ . . 8.200 2.506 2.410 2.851 . 0 0 "[ . 1]" 1
252 1 25 ALA MB 1 78 LEU QD . . 6.160 1.713 1.611 1.807 . 0 0 "[ . 1]" 1
253 1 25 ALA MB 1 83 ILE MG . . 7.000 2.939 2.633 3.209 . 0 0 "[ . 1]" 1
254 1 25 ALA MB 1 83 ILE MD . . 7.000 3.254 2.528 4.139 . 0 0 "[ . 1]" 1
255 1 26 THR H 1 26 THR HB . . 4.000 2.410 2.156 3.490 . 0 0 "[ . 1]" 1
256 1 26 THR H 1 27 GLN H . . 4.000 2.934 2.866 3.023 . 0 0 "[ . 1]" 1
257 1 26 THR H 1 78 LEU QD . . 7.400 2.337 2.182 2.618 . 0 0 "[ . 1]" 1
258 1 26 THR HA 1 27 GLN H . . 4.000 3.614 3.590 3.631 . 0 0 "[ . 1]" 1
259 1 26 THR HA 1 78 LEU HA . . 4.000 4.096 4.062 4.174 0.174 9 0 "[ . 1]" 1
260 1 26 THR HB 1 27 GLN H . . 4.000 3.183 2.437 3.850 . 0 0 "[ . 1]" 1
261 1 26 THR MG 1 27 GLN H . . 6.000 2.807 1.836 3.774 . 0 0 "[ . 1]" 1
262 1 27 GLN H 1 28 ALA H . . 4.000 2.759 2.636 2.851 . 0 0 "[ . 1]" 1
263 1 27 GLN HA 1 28 ALA H . . 5.000 3.604 3.572 3.625 . 0 0 "[ . 1]" 1
264 1 27 GLN HA 1 30 GLU H . . 4.000 3.141 3.061 3.254 . 0 0 "[ . 1]" 1
265 1 27 GLN HA 1 30 GLU HA . . 5.000 4.887 4.674 5.009 0.009 2 0 "[ . 1]" 1
266 1 27 GLN HA 1 30 GLU HB2 . . 5.000 2.400 2.139 2.484 . 0 0 "[ . 1]" 1
267 1 27 GLN HA 1 30 GLU HB3 . . 5.000 2.656 2.420 2.866 . 0 0 "[ . 1]" 1
268 1 27 GLN HA 1 30 GLU QG . . 6.000 4.078 3.682 4.434 . 0 0 "[ . 1]" 1
269 1 27 GLN HA 1 31 LYS H . . 5.000 4.776 4.474 4.944 . 0 0 "[ . 1]" 1
270 1 27 GLN HA 1 31 LYS HB2 . . 5.000 5.017 4.917 5.044 0.044 7 0 "[ . 1]" 1
271 1 27 GLN HA 1 31 LYS HB3 . . 5.000 5.030 5.003 5.057 0.057 5 0 "[ . 1]" 1
272 1 27 GLN HB2 1 28 ALA H . . 5.000 3.113 2.552 4.011 . 0 0 "[ . 1]" 1
273 1 27 GLN HB3 1 28 ALA H . . 5.000 3.281 2.613 3.760 . 0 0 "[ . 1]" 1
274 1 27 GLN QB 1 30 GLU H . . 6.000 4.488 4.361 4.680 . 0 0 "[ . 1]" 1
275 1 27 GLN QB 1 30 GLU HB2 . . 5.000 4.480 4.329 4.539 . 0 0 "[ . 1]" 1
276 1 27 GLN QB 1 30 GLU HB3 . . 5.000 4.376 4.254 4.496 . 0 0 "[ . 1]" 1
277 1 27 GLN HB2 1 41 TYR CZ . . 7.200 6.153 5.453 7.201 0.001 3 0 "[ . 1]" 1
278 1 27 GLN HB3 1 41 TYR CZ . . 7.200 5.760 4.822 6.480 . 0 0 "[ . 1]" 1
279 1 27 GLN QG 1 30 GLU QB . . 7.000 3.669 2.934 4.165 . 0 0 "[ . 1]" 1
280 1 28 ALA H 1 30 GLU QB . . 6.000 4.604 4.451 4.702 . 0 0 "[ . 1]" 1
281 1 28 ALA H 1 38 ILE MG . . 6.000 4.253 3.878 4.480 . 0 0 "[ . 1]" 1
282 1 28 ALA HA 1 29 LEU H . . 5.000 3.634 3.631 3.641 . 0 0 "[ . 1]" 1
283 1 28 ALA HA 1 31 LYS HB2 . . 5.000 4.282 4.099 4.576 . 0 0 "[ . 1]" 1
284 1 28 ALA HA 1 31 LYS HB3 . . 5.000 2.725 2.520 3.045 . 0 0 "[ . 1]" 1
285 1 28 ALA HA 1 31 LYS QG . . 6.000 4.191 3.937 4.447 . 0 0 "[ . 1]" 1
286 1 28 ALA HA 1 32 TYR H . . 5.000 3.471 3.196 3.805 . 0 0 "[ . 1]" 1
287 1 28 ALA HA 1 32 TYR CG . . 7.200 4.799 4.520 5.086 . 0 0 "[ . 1]" 1
288 1 28 ALA HA 1 41 TYR CG . . 7.200 4.705 4.228 5.071 . 0 0 "[ . 1]" 1
289 1 28 ALA MB 1 29 LEU H . . 6.000 2.391 2.210 2.551 . 0 0 "[ . 1]" 1
290 1 28 ALA MB 1 32 TYR H . . 6.000 4.084 3.920 4.325 . 0 0 "[ . 1]" 1
291 1 28 ALA MB 1 38 ILE HA . . 4.030 2.720 2.458 3.020 . 0 0 "[ . 1]" 1
292 1 28 ALA MB 1 38 ILE MG . . 7.000 1.875 1.632 2.141 . 0 0 "[ . 1]" 1
293 1 28 ALA MB 1 41 TYR QB . . 4.900 3.037 2.690 3.240 . 0 0 "[ . 1]" 1
294 1 28 ALA MB 1 41 TYR CG . . 8.200 3.329 2.958 3.608 . 0 0 "[ . 1]" 1
295 1 28 ALA MB 1 41 TYR CZ . . 8.200 3.741 3.158 4.468 . 0 0 "[ . 1]" 1
296 1 28 ALA MB 1 42 ILE HG12 . . 6.000 2.953 2.820 3.118 . 0 0 "[ . 1]" 1
297 1 28 ALA MB 1 42 ILE HG13 . . 6.000 2.853 2.740 3.152 . 0 0 "[ . 1]" 1
298 1 28 ALA MB 1 42 ILE MD . . 7.000 2.908 2.701 3.123 . 0 0 "[ . 1]" 1
299 1 29 LEU H 1 29 LEU HB2 . . 4.000 2.350 2.033 2.627 . 0 0 "[ . 1]" 1
300 1 29 LEU H 1 29 LEU HG . . 5.000 4.379 4.218 4.460 . 0 0 "[ . 1]" 1
301 1 29 LEU H 1 30 GLU H . . 4.000 2.566 2.545 2.602 . 0 0 "[ . 1]" 1
302 1 29 LEU H 1 31 LYS H . . 4.000 4.014 3.919 4.068 0.068 3 0 "[ . 1]" 1
303 1 29 LEU H 1 32 TYR QB . . 6.000 4.770 4.467 4.998 . 0 0 "[ . 1]" 1
304 1 29 LEU H 1 78 LEU QD . . 7.400 2.748 2.239 3.305 . 0 0 "[ . 1]" 1
305 1 29 LEU HA 1 30 GLU H . . 5.000 3.487 3.420 3.555 . 0 0 "[ . 1]" 1
306 1 29 LEU HA 1 32 TYR H . . 5.000 3.382 2.941 3.735 . 0 0 "[ . 1]" 1
307 1 29 LEU HA 1 38 ILE QG . . 6.000 3.380 3.084 3.740 . 0 0 "[ . 1]" 1
308 1 29 LEU HA 1 38 ILE MG . . 6.000 2.880 2.350 3.439 . 0 0 "[ . 1]" 1
309 1 29 LEU HB2 1 30 GLU H . . 5.000 4.082 3.881 4.264 . 0 0 "[ . 1]" 1
310 1 29 LEU QB 1 30 GLU H . . 5.000 3.116 2.923 3.298 . 0 0 "[ . 1]" 1
311 1 29 LEU QB 1 38 ILE MD . . 7.000 2.649 1.988 3.102 . 0 0 "[ . 1]" 1
312 1 29 LEU QB 1 42 ILE MD . . 7.000 4.572 4.217 4.876 . 0 0 "[ . 1]" 1
313 1 29 LEU HB2 1 78 LEU QD . . 7.400 2.359 1.843 2.872 . 0 0 "[ . 1]" 1
314 1 29 LEU QB 1 78 LEU QD . . 7.400 2.234 1.651 2.757 . 0 0 "[ . 1]" 1
315 1 29 LEU HG 1 38 ILE QG . . 6.000 4.834 4.197 5.371 . 0 0 "[ . 1]" 1
316 1 29 LEU HG 1 38 ILE MD . . 6.000 3.014 1.964 4.127 . 0 0 "[ . 1]" 1
317 1 29 LEU QD 1 38 ILE MD . . 8.400 2.373 1.830 3.470 . 0 0 "[ . 1]" 1
318 1 29 LEU QD 1 83 ILE MD . . 8.400 3.804 3.175 4.360 . 0 0 "[ . 1]" 1
319 1 30 GLU H 1 30 GLU HG2 . . 5.000 4.350 4.103 4.686 . 0 0 "[ . 1]" 1
320 1 30 GLU H 1 30 GLU HG3 . . 5.000 4.288 3.981 4.557 . 0 0 "[ . 1]" 1
321 1 30 GLU H 1 32 TYR H . . 4.000 4.001 3.866 4.063 0.063 7 0 "[ . 1]" 1
322 1 30 GLU HA 1 31 LYS H . . 4.000 3.257 3.176 3.369 . 0 0 "[ . 1]" 1
323 1 30 GLU HA 1 31 LYS HA . . 5.000 4.465 4.424 4.506 . 0 0 "[ . 1]" 1
324 1 30 GLU QB 1 31 LYS H . . 4.600 3.548 3.378 3.654 . 0 0 "[ . 1]" 1
325 1 30 GLU QB 1 31 LYS HA . . 5.600 4.328 4.243 4.443 . 0 0 "[ . 1]" 1
326 1 31 LYS H 1 31 LYS HB2 . . 4.000 3.369 3.282 3.443 . 0 0 "[ . 1]" 1
327 1 31 LYS H 1 31 LYS HB3 . . 4.000 2.578 2.481 2.713 . 0 0 "[ . 1]" 1
328 1 31 LYS H 1 31 LYS HG2 . . 5.000 4.233 4.074 4.535 . 0 0 "[ . 1]" 1
329 1 31 LYS H 1 31 LYS HG3 . . 5.000 4.494 4.280 4.674 . 0 0 "[ . 1]" 1
330 1 31 LYS H 1 32 TYR H . . 4.000 1.903 1.834 2.044 . 0 0 "[ . 1]" 1
331 1 31 LYS HA 1 32 TYR H . . 5.000 3.610 3.592 3.632 . 0 0 "[ . 1]" 1
332 1 31 LYS QB 1 32 TYR H . . 5.600 2.741 2.594 2.845 . 0 0 "[ . 1]" 1
333 1 31 LYS QG 1 32 TYR H . . 6.000 3.271 3.031 3.425 . 0 0 "[ . 1]" 1
334 1 31 LYS QD 1 32 TYR CZ . . 8.200 4.779 3.894 5.807 . 0 0 "[ . 1]" 1
335 1 32 TYR H 1 38 ILE QG . . 6.000 3.937 3.641 4.329 . 0 0 "[ . 1]" 1
336 1 32 TYR HA 1 33 ASN H . . 3.000 2.517 2.399 2.762 . 0 0 "[ . 1]" 1
337 1 32 TYR HA 1 33 ASN QB . . 4.600 3.919 3.849 4.005 . 0 0 "[ . 1]" 1
338 1 32 TYR HA 1 34 ILE H . . 5.000 4.067 3.774 4.467 . 0 0 "[ . 1]" 1
339 1 32 TYR HB2 1 33 ASN H . . 4.000 3.841 3.394 4.038 0.038 4 0 "[ . 1]" 1
340 1 32 TYR HB3 1 33 ASN H . . 4.000 2.486 1.945 2.745 . 0 0 "[ . 1]" 1
341 1 32 TYR HB2 1 34 ILE H . . 5.000 4.449 3.763 4.958 . 0 0 "[ . 1]" 1
342 1 32 TYR HB3 1 34 ILE H . . 5.000 2.808 2.180 3.328 . 0 0 "[ . 1]" 1
343 1 32 TYR QB 1 37 ASP H . . 6.000 5.001 4.813 5.215 . 0 0 "[ . 1]" 1
344 1 32 TYR HB2 1 37 ASP QB . . 6.000 4.401 4.080 4.743 . 0 0 "[ . 1]" 1
345 1 32 TYR HB3 1 37 ASP QB . . 6.000 3.339 3.109 3.607 . 0 0 "[ . 1]" 1
346 1 32 TYR HB2 1 38 ILE H . . 5.000 4.825 4.659 4.948 . 0 0 "[ . 1]" 1
347 1 32 TYR HB3 1 38 ILE H . . 5.000 4.198 4.023 4.319 . 0 0 "[ . 1]" 1
348 1 32 TYR HB2 1 38 ILE HA . . 5.000 3.522 3.443 3.672 . 0 0 "[ . 1]" 1
349 1 32 TYR HB3 1 38 ILE HA . . 5.000 3.963 3.803 4.071 . 0 0 "[ . 1]" 1
350 1 32 TYR HB2 1 38 ILE HB . . 5.000 4.972 4.859 5.050 0.050 5 0 "[ . 1]" 1
351 1 32 TYR HB3 1 38 ILE HB . . 5.000 4.977 4.824 5.037 0.037 9 0 "[ . 1]" 1
352 1 32 TYR HB2 1 38 ILE HG12 . . 5.000 2.212 1.980 2.672 . 0 0 "[ . 1]" 1
353 1 32 TYR HB2 1 38 ILE HG13 . . 5.000 3.680 3.598 3.779 . 0 0 "[ . 1]" 1
354 1 32 TYR HB3 1 38 ILE HG12 . . 5.000 2.161 1.981 2.345 . 0 0 "[ . 1]" 1
355 1 32 TYR HB3 1 38 ILE HG13 . . 5.000 3.148 2.799 3.596 . 0 0 "[ . 1]" 1
356 1 32 TYR HB2 1 38 ILE MD . . 6.000 2.570 1.816 3.007 . 0 0 "[ . 1]" 1
357 1 32 TYR HB3 1 38 ILE MD . . 6.000 2.926 2.634 3.262 . 0 0 "[ . 1]" 1
358 1 32 TYR CG 1 34 ILE HB . . 7.200 5.374 5.017 5.782 . 0 0 "[ . 1]" 1
359 1 32 TYR CG 1 37 ASP HB2 . . 7.200 5.256 4.621 5.880 . 0 0 "[ . 1]" 1
360 1 32 TYR CG 1 37 ASP HB3 . . 7.200 3.768 3.304 4.232 . 0 0 "[ . 1]" 1
361 1 32 TYR CG 1 38 ILE H . . 7.200 5.378 5.137 5.538 . 0 0 "[ . 1]" 1
362 1 32 TYR CG 1 38 ILE HA . . 7.200 4.276 4.058 4.486 . 0 0 "[ . 1]" 1
363 1 32 TYR CG 1 38 ILE HG12 . . 7.200 3.590 3.411 3.913 . 0 0 "[ . 1]" 1
364 1 32 TYR CG 1 38 ILE HG13 . . 7.200 4.927 4.644 5.410 . 0 0 "[ . 1]" 1
365 1 32 TYR CZ 1 38 ILE MD . . 8.200 6.449 5.593 6.842 . 0 0 "[ . 1]" 1
366 1 32 TYR CZ 1 41 TYR QB . . 8.200 4.254 3.722 4.971 . 0 0 "[ . 1]" 1
367 1 33 ASN H 1 34 ILE H . . 3.000 1.876 1.824 2.024 . 0 0 "[ . 1]" 1
368 1 33 ASN HA 1 34 ILE H . . 4.000 3.478 3.220 3.627 . 0 0 "[ . 1]" 1
369 1 33 ASN HA 1 34 ILE HA . . 5.000 4.688 4.525 4.793 . 0 0 "[ . 1]" 1
370 1 33 ASN HA 1 38 ILE MD . . 6.000 3.238 2.796 3.899 . 0 0 "[ . 1]" 1
371 1 34 ILE H 1 34 ILE HB . . 4.000 2.512 2.425 2.662 . 0 0 "[ . 1]" 1
372 1 34 ILE H 1 34 ILE HG12 . . 5.000 3.851 3.563 4.331 . 0 0 "[ . 1]" 1
373 1 34 ILE H 1 34 ILE HG13 . . 5.000 2.631 2.067 3.513 . 0 0 "[ . 1]" 1
374 1 34 ILE H 1 35 GLU HA . . 5.000 5.018 4.641 5.229 0.229 10 0 "[ . 1]" 1
375 1 34 ILE H 1 38 ILE QG . . 6.000 3.348 2.802 3.618 . 0 0 "[ . 1]" 1
376 1 34 ILE HA 1 35 GLU H . . 3.000 2.271 2.181 2.327 . 0 0 "[ . 1]" 1
377 1 34 ILE HA 1 35 GLU HA . . 5.000 4.443 4.347 4.497 . 0 0 "[ . 1]" 1
378 1 34 ILE HA 1 35 GLU QB . . 5.600 4.200 4.040 4.393 . 0 0 "[ . 1]" 1
379 1 34 ILE HA 1 38 ILE QG . . 6.000 4.153 4.036 4.207 . 0 0 "[ . 1]" 1
380 1 34 ILE HB 1 35 GLU H . . 5.000 4.516 4.367 4.569 . 0 0 "[ . 1]" 1
381 1 34 ILE HB 1 37 ASP H . . 5.000 2.886 2.651 3.028 . 0 0 "[ . 1]" 1
382 1 34 ILE HB 1 37 ASP QB . . 5.000 2.157 1.907 2.495 . 0 0 "[ . 1]" 1
383 1 34 ILE HB 1 38 ILE HG12 . . 5.000 4.812 4.124 5.100 0.100 3 0 "[ . 1]" 1
384 1 34 ILE HB 1 38 ILE HG13 . . 5.000 4.433 4.075 5.085 0.085 5 0 "[ . 1]" 1
385 1 34 ILE MG 1 35 GLU H . . 6.000 3.367 2.937 3.573 . 0 0 "[ . 1]" 1
386 1 34 ILE MG 1 36 LYS H . . 6.000 2.426 2.177 2.755 . 0 0 "[ . 1]" 1
387 1 34 ILE MG 1 36 LYS QB . . 7.000 2.198 1.953 2.451 . 0 0 "[ . 1]" 1
388 1 34 ILE MG 1 36 LYS QD . . 7.000 3.827 3.033 4.763 . 0 0 "[ . 1]" 1
389 1 34 ILE MG 1 37 ASP H . . 6.000 2.193 1.956 2.312 . 0 0 "[ . 1]" 1
390 1 34 ILE MG 1 37 ASP QB . . 7.000 2.519 2.020 2.748 . 0 0 "[ . 1]" 1
391 1 35 GLU H 1 35 GLU HB2 . . 4.000 2.493 2.052 2.726 . 0 0 "[ . 1]" 1
392 1 35 GLU H 1 35 GLU HB3 . . 4.000 3.223 2.261 3.585 . 0 0 "[ . 1]" 1
393 1 35 GLU H 1 35 GLU HG2 . . 5.000 3.865 3.212 4.384 . 0 0 "[ . 1]" 1
394 1 35 GLU H 1 35 GLU HG3 . . 5.000 3.222 1.936 4.628 . 0 0 "[ . 1]" 1
395 1 35 GLU H 1 36 LYS H . . 4.000 3.026 2.883 3.109 . 0 0 "[ . 1]" 1
396 1 35 GLU HA 1 38 ILE H . . 5.000 2.976 2.903 3.048 . 0 0 "[ . 1]" 1
397 1 35 GLU HA 1 38 ILE HB . . 4.000 1.973 1.891 2.026 . 0 0 "[ . 1]" 1
398 1 35 GLU HA 1 38 ILE HG12 . . 5.000 3.453 3.185 3.630 . 0 0 "[ . 1]" 1
399 1 35 GLU HA 1 38 ILE HG13 . . 5.000 2.137 1.996 2.265 . 0 0 "[ . 1]" 1
400 1 35 GLU HA 1 38 ILE MG . . 6.000 3.276 3.228 3.333 . 0 0 "[ . 1]" 1
401 1 35 GLU HA 1 38 ILE MD . . 6.000 2.530 1.921 3.869 . 0 0 "[ . 1]" 1
402 1 35 GLU HA 1 58 VAL QG . . 7.400 4.178 3.701 4.837 . 0 0 "[ . 1]" 1
403 1 35 GLU HA 1 81 VAL QG . . 7.400 4.218 3.872 4.771 . 0 0 "[ . 1]" 1
404 1 35 GLU HB2 1 36 LYS H . . 4.000 3.069 2.447 3.997 . 0 0 "[ . 1]" 1
405 1 35 GLU HB3 1 36 LYS H . . 4.000 3.218 2.606 3.794 . 0 0 "[ . 1]" 1
406 1 35 GLU QB 1 39 ALA H . . 5.000 4.348 4.099 4.624 . 0 0 "[ . 1]" 1
407 1 35 GLU QB 1 58 VAL HB . . 5.000 3.947 3.308 4.463 . 0 0 "[ . 1]" 1
408 1 35 GLU QB 1 81 VAL QG . . 8.400 3.038 2.617 3.381 . 0 0 "[ . 1]" 1
409 1 35 GLU HG2 1 38 ILE MG . . 6.000 4.336 3.379 4.770 . 0 0 "[ . 1]" 1
410 1 35 GLU HG3 1 38 ILE MG . . 6.000 4.591 4.046 4.919 . 0 0 "[ . 1]" 1
411 1 35 GLU HG2 1 58 VAL QG . . 7.400 3.144 2.495 3.569 . 0 0 "[ . 1]" 1
412 1 35 GLU HG3 1 58 VAL QG . . 7.400 3.382 1.783 4.755 . 0 0 "[ . 1]" 1
413 1 35 GLU QG 1 81 VAL QG . . 8.400 2.194 1.739 3.804 . 0 0 "[ . 1]" 1
414 1 36 LYS H 1 36 LYS HB2 . . 4.000 2.122 2.004 2.386 . 0 0 "[ . 1]" 1
415 1 36 LYS H 1 36 LYS HB3 . . 4.000 3.284 2.689 3.537 . 0 0 "[ . 1]" 1
416 1 36 LYS H 1 36 LYS QD . . 6.000 4.269 3.399 4.532 . 0 0 "[ . 1]" 1
417 1 36 LYS H 1 37 ASP H . . 4.000 2.914 2.846 2.986 . 0 0 "[ . 1]" 1
418 1 36 LYS HA 1 39 ALA H . . 4.000 3.802 3.544 4.024 0.024 6 0 "[ . 1]" 1
419 1 36 LYS HA 1 39 ALA MB . . 6.000 3.348 3.136 3.586 . 0 0 "[ . 1]" 1
420 1 36 LYS QB 1 37 ASP QB . . 5.200 3.847 3.722 3.958 . 0 0 "[ . 1]" 1
421 1 36 LYS QG 1 58 VAL QG . . 8.400 3.684 2.694 4.804 . 0 0 "[ . 1]" 1
422 1 37 ASP H 1 38 ILE H . . 4.000 2.478 2.423 2.534 . 0 0 "[ . 1]" 1
423 1 37 ASP H 1 38 ILE HB . . 5.000 4.689 4.500 4.801 . 0 0 "[ . 1]" 1
424 1 37 ASP H 1 38 ILE HG12 . . 5.000 4.730 4.150 5.026 0.026 1 0 "[ . 1]" 1
425 1 37 ASP H 1 38 ILE HG13 . . 5.000 4.081 3.619 5.023 0.023 2 0 "[ . 1]" 1
426 1 37 ASP HA 1 38 ILE H . . 5.000 3.544 3.526 3.569 . 0 0 "[ . 1]" 1
427 1 37 ASP HA 1 40 ALA H . . 5.000 3.395 3.204 3.586 . 0 0 "[ . 1]" 1
428 1 37 ASP HA 1 40 ALA MB . . 6.000 2.123 1.955 2.379 . 0 0 "[ . 1]" 1
429 1 37 ASP HB2 1 38 ILE H . . 5.000 3.602 3.270 3.874 . 0 0 "[ . 1]" 1
430 1 37 ASP HB3 1 38 ILE H . . 5.000 3.070 2.928 3.310 . 0 0 "[ . 1]" 1
431 1 37 ASP QB 1 38 ILE HA . . 5.600 3.797 3.706 3.895 . 0 0 "[ . 1]" 1
432 1 37 ASP QB 1 38 ILE HG12 . . 5.600 3.640 3.221 3.867 . 0 0 "[ . 1]" 1
433 1 37 ASP QB 1 38 ILE HG13 . . 5.600 3.871 3.444 4.613 . 0 0 "[ . 1]" 1
434 1 38 ILE H 1 38 ILE HB . . 4.000 2.418 2.285 2.515 . 0 0 "[ . 1]" 1
435 1 38 ILE H 1 38 ILE HG12 . . 5.000 2.841 2.306 3.119 . 0 0 "[ . 1]" 1
436 1 38 ILE H 1 38 ILE HG13 . . 5.000 2.371 1.952 3.193 . 0 0 "[ . 1]" 1
437 1 38 ILE H 1 39 ALA H . . 4.000 2.800 2.674 2.944 . 0 0 "[ . 1]" 1
438 1 38 ILE H 1 39 ALA MB . . 6.000 4.324 4.262 4.423 . 0 0 "[ . 1]" 1
439 1 38 ILE HA 1 39 ALA H . . 5.000 3.633 3.615 3.640 . 0 0 "[ . 1]" 1
440 1 38 ILE HA 1 41 TYR QB . . 6.000 2.455 2.282 2.658 . 0 0 "[ . 1]" 1
441 1 38 ILE HA 1 42 ILE QG . . 6.000 3.931 3.742 4.057 . 0 0 "[ . 1]" 1
442 1 38 ILE HA 1 42 ILE MD . . 6.000 4.078 3.662 4.572 . 0 0 "[ . 1]" 1
443 1 38 ILE HB 1 39 ALA H . . 4.000 2.355 2.134 2.599 . 0 0 "[ . 1]" 1
444 1 38 ILE HB 1 42 ILE QG . . 6.000 5.109 4.889 5.257 . 0 0 "[ . 1]" 1
445 1 38 ILE HB 1 42 ILE MD . . 6.000 3.984 3.515 4.616 . 0 0 "[ . 1]" 1
446 1 38 ILE HB 1 58 VAL QG . . 7.400 4.469 3.804 5.155 . 0 0 "[ . 1]" 1
447 1 38 ILE MG 1 39 ALA H . . 6.000 3.171 2.758 3.567 . 0 0 "[ . 1]" 1
448 1 38 ILE MG 1 39 ALA HA . . 6.000 3.420 3.107 3.707 . 0 0 "[ . 1]" 1
449 1 38 ILE MG 1 39 ALA MB . . 7.000 3.847 3.529 4.169 . 0 0 "[ . 1]" 1
450 1 38 ILE MG 1 41 TYR QB . . 7.000 3.660 3.432 3.831 . 0 0 "[ . 1]" 1
451 1 38 ILE MG 1 42 ILE H . . 6.000 4.202 4.098 4.333 . 0 0 "[ . 1]" 1
452 1 38 ILE MG 1 42 ILE HB . . 6.000 4.651 4.417 4.794 . 0 0 "[ . 1]" 1
453 1 38 ILE MG 1 42 ILE QG . . 7.000 2.972 2.756 3.143 . 0 0 "[ . 1]" 1
454 1 38 ILE MG 1 83 ILE MD . . 7.000 2.577 2.143 3.012 . 0 0 "[ . 1]" 1
455 1 38 ILE MD 1 78 LEU QD . . 8.400 3.535 2.953 4.221 . 0 0 "[ . 1]" 1
456 1 39 ALA H 1 40 ALA H . . 4.000 2.650 2.589 2.748 . 0 0 "[ . 1]" 1
457 1 39 ALA H 1 42 ILE QG . . 6.000 4.764 4.552 4.965 . 0 0 "[ . 1]" 1
458 1 39 ALA H 1 42 ILE MD . . 6.000 3.671 3.152 4.175 . 0 0 "[ . 1]" 1
459 1 39 ALA H 1 58 VAL QG . . 7.400 4.000 3.074 4.669 . 0 0 "[ . 1]" 1
460 1 39 ALA HA 1 41 TYR H . . 4.000 4.067 4.029 4.108 0.108 5 0 "[ . 1]" 1
461 1 39 ALA HA 1 42 ILE HB . . 4.000 2.747 2.594 2.877 . 0 0 "[ . 1]" 1
462 1 39 ALA HA 1 42 ILE QG . . 6.000 3.264 3.011 3.482 . 0 0 "[ . 1]" 1
463 1 39 ALA HA 1 42 ILE MD . . 6.000 2.019 1.792 2.474 . 0 0 "[ . 1]" 1
464 1 39 ALA HA 1 56 CYS QB . . 5.000 3.644 3.010 4.125 . 0 0 "[ . 1]" 1
465 1 39 ALA HA 1 58 VAL QG . . 7.400 4.763 3.759 5.498 . 0 0 "[ . 1]" 1
466 1 39 ALA MB 1 40 ALA H . . 6.000 2.731 2.568 2.909 . 0 0 "[ . 1]" 1
467 1 39 ALA MB 1 42 ILE QG . . 7.000 4.617 4.448 4.780 . 0 0 "[ . 1]" 1
468 1 39 ALA MB 1 42 ILE MD . . 7.000 3.245 2.998 3.553 . 0 0 "[ . 1]" 1
469 1 39 ALA MB 1 43 LYS H . . 6.000 4.409 4.236 4.557 . 0 0 "[ . 1]" 1
470 1 39 ALA MB 1 56 CYS HA . . 6.000 4.423 3.829 4.864 . 0 0 "[ . 1]" 1
471 1 39 ALA MB 1 56 CYS HB2 . . 6.000 3.340 2.827 4.187 . 0 0 "[ . 1]" 1
472 1 39 ALA MB 1 56 CYS HB3 . . 6.000 2.733 1.949 3.991 . 0 0 "[ . 1]" 1
473 1 39 ALA MB 1 58 VAL HB . . 6.000 3.439 2.578 3.961 . 0 0 "[ . 1]" 1
474 1 39 ALA MB 1 58 VAL QG . . 8.400 2.650 1.812 3.317 . 0 0 "[ . 1]" 1
475 1 40 ALA H 1 40 ALA HA . . 3.000 2.817 2.814 2.821 . 0 0 "[ . 1]" 1
476 1 40 ALA H 1 41 TYR H . . 4.000 2.551 2.545 2.562 . 0 0 "[ . 1]" 1
477 1 40 ALA H 1 42 ILE H . . 4.000 4.080 4.010 4.157 0.157 7 0 "[ . 1]" 1
478 1 40 ALA HA 1 41 TYR H . . 5.000 3.559 3.542 3.573 . 0 0 "[ . 1]" 1
479 1 40 ALA HA 1 43 LYS H . . 5.000 3.714 3.607 3.867 . 0 0 "[ . 1]" 1
480 1 40 ALA HA 1 43 LYS QD . . 6.000 3.272 2.682 3.867 . 0 0 "[ . 1]" 1
481 1 40 ALA HA 1 44 LYS H . . 5.000 3.702 3.566 3.876 . 0 0 "[ . 1]" 1
482 1 40 ALA HA 1 44 LYS HB2 . . 5.000 4.567 4.074 5.031 0.031 10 0 "[ . 1]" 1
483 1 40 ALA HA 1 44 LYS HB3 . . 5.000 4.788 4.688 4.977 . 0 0 "[ . 1]" 1
484 1 40 ALA MB 1 41 TYR H . . 6.000 2.804 2.758 2.868 . 0 0 "[ . 1]" 1
485 1 40 ALA MB 1 41 TYR HA . . 6.000 3.915 3.831 3.940 . 0 0 "[ . 1]" 1
486 1 40 ALA MB 1 41 TYR QB . . 6.600 3.829 3.773 3.871 . 0 0 "[ . 1]" 1
487 1 41 TYR HA 1 44 LYS H . . 5.000 3.644 3.497 3.804 . 0 0 "[ . 1]" 1
488 1 41 TYR HA 1 44 LYS HB2 . . 5.000 3.990 3.814 4.141 . 0 0 "[ . 1]" 1
489 1 41 TYR HA 1 44 LYS HB3 . . 5.000 2.525 2.381 2.702 . 0 0 "[ . 1]" 1
490 1 41 TYR HA 1 44 LYS QG . . 6.000 4.224 3.938 4.595 . 0 0 "[ . 1]" 1
491 1 41 TYR HA 1 44 LYS QD . . 6.000 3.839 3.101 4.776 . 0 0 "[ . 1]" 1
492 1 41 TYR HA 1 44 LYS QE . . 6.000 3.463 2.895 4.276 . 0 0 "[ . 1]" 1
493 1 41 TYR HA 1 45 GLU H . . 4.000 3.681 3.465 3.868 . 0 0 "[ . 1]" 1
494 1 41 TYR QB 1 42 ILE H . . 4.600 2.625 2.493 2.743 . 0 0 "[ . 1]" 1
495 1 41 TYR QB 1 42 ILE HA . . 5.600 4.262 4.117 4.355 . 0 0 "[ . 1]" 1
496 1 41 TYR QB 1 42 ILE HG12 . . 5.600 4.497 3.948 4.718 . 0 0 "[ . 1]" 1
497 1 41 TYR QB 1 42 ILE HG13 . . 5.600 3.055 2.893 3.167 . 0 0 "[ . 1]" 1
498 1 41 TYR QB 1 42 ILE MD . . 6.600 4.101 3.881 4.317 . 0 0 "[ . 1]" 1
499 1 41 TYR QB 1 44 LYS QB . . 7.000 4.431 4.296 4.590 . 0 0 "[ . 1]" 1
500 1 41 TYR QB 1 44 LYS QE . . 7.000 4.709 3.953 5.462 . 0 0 "[ . 1]" 1
501 1 41 TYR CG 1 42 ILE HA . . 7.200 4.282 4.139 4.528 . 0 0 "[ . 1]" 1
502 1 41 TYR CG 1 42 ILE HG12 . . 7.200 5.052 4.870 5.399 . 0 0 "[ . 1]" 1
503 1 41 TYR CG 1 42 ILE HG13 . . 7.200 4.052 3.816 4.446 . 0 0 "[ . 1]" 1
504 1 42 ILE H 1 42 ILE HB . . 4.000 2.442 2.409 2.498 . 0 0 "[ . 1]" 1
505 1 42 ILE H 1 42 ILE HG12 . . 5.000 3.475 3.192 3.605 . 0 0 "[ . 1]" 1
506 1 42 ILE H 1 42 ILE HG13 . . 5.000 2.038 1.901 2.128 . 0 0 "[ . 1]" 1
507 1 42 ILE H 1 43 LYS H . . 4.000 2.721 2.683 2.787 . 0 0 "[ . 1]" 1
508 1 42 ILE H 1 44 LYS H . . 4.000 4.056 4.019 4.092 0.092 7 0 "[ . 1]" 1
509 1 42 ILE H 1 45 GLU QB . . 5.000 4.314 4.138 4.482 . 0 0 "[ . 1]" 1
510 1 42 ILE HA 1 43 LYS H . . 5.000 3.633 3.626 3.640 . 0 0 "[ . 1]" 1
511 1 42 ILE HA 1 44 LYS H . . 5.000 4.665 4.516 4.771 . 0 0 "[ . 1]" 1
512 1 42 ILE HA 1 45 GLU QB . . 6.000 2.301 1.981 2.564 . 0 0 "[ . 1]" 1
513 1 42 ILE HA 1 46 PHE H . . 4.000 4.137 4.097 4.187 0.187 9 0 "[ . 1]" 1
514 1 42 ILE HB 1 43 LYS H . . 4.000 2.419 2.313 2.505 . 0 0 "[ . 1]" 1
515 1 42 ILE HB 1 85 LEU QB . . 5.000 4.341 4.248 4.398 . 0 0 "[ . 1]" 1
516 1 42 ILE QG 1 43 LYS H . . 6.000 4.014 3.859 4.089 . 0 0 "[ . 1]" 1
517 1 42 ILE HG12 1 45 GLU QB . . 6.000 4.613 4.285 4.893 . 0 0 "[ . 1]" 1
518 1 42 ILE HG13 1 45 GLU QB . . 6.000 4.681 4.542 4.831 . 0 0 "[ . 1]" 1
519 1 42 ILE QG 1 83 ILE MD . . 7.000 3.641 3.483 3.808 . 0 0 "[ . 1]" 1
520 1 42 ILE MG 1 43 LYS H . . 6.000 3.346 3.151 3.473 . 0 0 "[ . 1]" 1
521 1 42 ILE MG 1 45 GLU QB . . 7.000 3.489 3.187 3.753 . 0 0 "[ . 1]" 1
522 1 42 ILE MG 1 83 ILE QG . . 7.000 4.270 3.498 4.792 . 0 0 "[ . 1]" 1
523 1 42 ILE MG 1 83 ILE MG . . 7.000 4.376 4.145 4.628 . 0 0 "[ . 1]" 1
524 1 42 ILE MG 1 83 ILE MD . . 6.060 3.910 3.750 4.009 . 0 0 "[ . 1]" 1
525 1 42 ILE MG 1 85 LEU QB . . 7.000 3.123 2.741 3.351 . 0 0 "[ . 1]" 1
526 1 42 ILE MD 1 83 ILE HG12 . . 6.000 3.014 2.471 3.411 . 0 0 "[ . 1]" 1
527 1 42 ILE MD 1 83 ILE HG13 . . 6.000 3.827 3.317 4.124 . 0 0 "[ . 1]" 1
528 1 42 ILE MD 1 83 ILE MG . . 7.000 3.281 2.959 3.590 . 0 0 "[ . 1]" 1
529 1 42 ILE MD 1 83 ILE MD . . 7.000 1.814 1.716 1.976 . 0 0 "[ . 1]" 1
530 1 42 ILE MD 1 85 LEU QB . . 7.000 4.052 3.878 4.236 . 0 0 "[ . 1]" 1
531 1 43 LYS H 1 43 LYS HG2 . . 5.000 4.331 4.300 4.383 . 0 0 "[ . 1]" 1
532 1 43 LYS H 1 43 LYS HG3 . . 5.000 4.599 4.512 4.620 . 0 0 "[ . 1]" 1
533 1 43 LYS H 1 45 GLU H . . 4.000 3.995 3.888 4.043 0.043 9 0 "[ . 1]" 1
534 1 43 LYS HA 1 44 LYS H . . 4.000 3.623 3.615 3.628 . 0 0 "[ . 1]" 1
535 1 43 LYS HA 1 46 PHE QB . . 5.000 3.009 2.686 3.497 . 0 0 "[ . 1]" 1
536 1 43 LYS HA 1 47 ASP QB . . 6.000 3.990 3.687 4.488 . 0 0 "[ . 1]" 1
537 1 43 LYS HA 1 54 TRP HB2 . . 5.000 2.885 2.713 3.048 . 0 0 "[ . 1]" 1
538 1 43 LYS HA 1 54 TRP HB3 . . 5.000 3.576 3.264 3.788 . 0 0 "[ . 1]" 1
539 1 43 LYS HA 1 85 LEU HG . . 5.000 4.428 3.798 4.865 . 0 0 "[ . 1]" 1
540 1 43 LYS HA 1 85 LEU QD . . 7.400 2.208 2.064 2.477 . 0 0 "[ . 1]" 1
541 1 43 LYS QB 1 44 LYS H . . 5.600 2.711 2.640 2.841 . 0 0 "[ . 1]" 1
542 1 43 LYS QB 1 46 PHE H . . 6.000 5.163 5.006 5.419 . 0 0 "[ . 1]" 1
543 1 43 LYS QB 1 56 CYS H . . 6.000 3.116 2.754 3.507 . 0 0 "[ . 1]" 1
544 1 43 LYS QB 1 56 CYS HB2 . . 5.000 2.935 1.935 4.445 . 0 0 "[ . 1]" 1
545 1 43 LYS QB 1 56 CYS HB3 . . 5.000 3.075 2.545 3.734 . 0 0 "[ . 1]" 1
546 1 43 LYS HG2 1 44 LYS H . . 5.000 3.727 3.600 3.964 . 0 0 "[ . 1]" 1
547 1 43 LYS HG3 1 44 LYS H . . 5.000 4.634 4.388 4.876 . 0 0 "[ . 1]" 1
548 1 43 LYS QG 1 44 LYS HA . . 6.000 3.621 3.471 3.887 . 0 0 "[ . 1]" 1
549 1 43 LYS QG 1 47 ASP QB . . 7.000 2.518 2.233 3.158 . 0 0 "[ . 1]" 1
550 1 43 LYS QG 1 53 THR MG . . 7.000 5.092 4.876 5.191 . 0 0 "[ . 1]" 1
551 1 43 LYS QG 1 54 TRP HA . . 6.000 4.058 3.799 4.554 . 0 0 "[ . 1]" 1
552 1 43 LYS QG 1 54 TRP HB2 . . 6.000 2.081 1.799 2.850 . 0 0 "[ . 1]" 1
553 1 43 LYS QG 1 54 TRP HB3 . . 6.000 3.248 2.808 4.104 . 0 0 "[ . 1]" 1
554 1 43 LYS QG 1 55 HIS H . . 6.000 3.836 3.474 4.423 . 0 0 "[ . 1]" 1
555 1 43 LYS QG 1 85 LEU QD . . 8.400 3.394 3.193 3.654 . 0 0 "[ . 1]" 1
556 1 43 LYS QD 1 54 TRP QB . . 7.000 3.939 3.614 4.640 . 0 0 "[ . 1]" 1
557 1 43 LYS QE 1 44 LYS HA . . 6.000 3.995 1.970 4.972 . 0 0 "[ . 1]" 1
558 1 43 LYS QE 1 47 ASP QB . . 7.000 3.823 2.321 4.975 . 0 0 "[ . 1]" 1
559 1 44 LYS H 1 45 GLU H . . 4.000 2.664 2.602 2.714 . 0 0 "[ . 1]" 1
560 1 44 LYS HA 1 47 ASP HB2 . . 5.000 3.769 1.935 4.599 . 0 0 "[ . 1]" 1
561 1 44 LYS HA 1 47 ASP HB3 . . 5.000 2.818 1.968 3.294 . 0 0 "[ . 1]" 1
562 1 44 LYS QG 1 47 ASP QB . . 7.000 4.306 3.347 4.915 . 0 0 "[ . 1]" 1
563 1 44 LYS QG 1 48 LYS HA . . 6.000 4.291 4.008 4.434 . 0 0 "[ . 1]" 1
564 1 44 LYS HG2 1 48 LYS QB . . 6.000 4.078 3.339 5.061 . 0 0 "[ . 1]" 1
565 1 44 LYS HG3 1 48 LYS QB . . 6.000 4.546 3.612 5.408 . 0 0 "[ . 1]" 1
566 1 44 LYS QG 1 48 LYS QE . . 7.000 3.780 2.573 4.533 . 0 0 "[ . 1]" 1
567 1 45 GLU H 1 45 GLU HB2 . . 4.000 2.335 2.020 2.696 . 0 0 "[ . 1]" 1
568 1 45 GLU H 1 45 GLU HB3 . . 4.000 2.750 2.270 3.402 . 0 0 "[ . 1]" 1
569 1 45 GLU H 1 46 PHE H . . 3.000 2.881 2.776 3.020 0.020 5 0 "[ . 1]" 1
570 1 45 GLU QB 1 46 PHE H . . 4.600 2.466 2.277 2.626 . 0 0 "[ . 1]" 1
571 1 46 PHE H 1 46 PHE HB2 . . 4.000 1.959 1.913 2.026 . 0 0 "[ . 1]" 1
572 1 46 PHE H 1 46 PHE HB3 . . 4.000 3.295 3.226 3.366 . 0 0 "[ . 1]" 1
573 1 46 PHE H 1 47 ASP H . . 4.000 2.717 2.493 2.861 . 0 0 "[ . 1]" 1
574 1 46 PHE QB 1 47 ASP H . . 5.600 2.330 2.110 2.980 . 0 0 "[ . 1]" 1
575 1 46 PHE HB2 1 50 TYR QB . . 5.000 4.239 3.574 4.565 . 0 0 "[ . 1]" 1
576 1 46 PHE HB3 1 50 TYR QB . . 5.000 2.875 2.062 3.304 . 0 0 "[ . 1]" 1
577 1 46 PHE QB 1 50 TYR CZ . . 8.200 5.344 4.845 5.749 . 0 0 "[ . 1]" 1
578 1 46 PHE QB 1 54 TRP HE1 . . 6.000 3.303 3.052 3.640 . 0 0 "[ . 1]" 1
579 1 46 PHE QB 1 85 LEU QD . . 8.400 3.096 2.965 3.326 . 0 0 "[ . 1]" 1
580 1 47 ASP H 1 47 ASP HB2 . . 4.000 2.913 2.210 3.355 . 0 0 "[ . 1]" 1
581 1 47 ASP H 1 47 ASP HB3 . . 4.000 2.361 2.065 3.485 . 0 0 "[ . 1]" 1
582 1 47 ASP H 1 48 LYS H . . 4.000 2.872 2.407 3.000 . 0 0 "[ . 1]" 1
583 1 47 ASP H 1 54 TRP QB . . 5.000 3.537 3.361 3.928 . 0 0 "[ . 1]" 1
584 1 47 ASP HA 1 52 PRO HA . . 4.000 2.927 2.807 3.054 . 0 0 "[ . 1]" 1
585 1 47 ASP HA 1 52 PRO QD . . 6.000 3.562 3.260 4.200 . 0 0 "[ . 1]" 1
586 1 47 ASP HA 1 53 THR HA . . 5.000 3.725 2.969 4.091 . 0 0 "[ . 1]" 1
587 1 47 ASP HA 1 54 TRP QB . . 6.000 4.222 4.007 4.359 . 0 0 "[ . 1]" 1
588 1 47 ASP HA 1 54 TRP HD1 . . 5.000 1.998 1.933 2.235 . 0 0 "[ . 1]" 1
589 1 47 ASP HB2 1 48 LYS H . . 4.000 4.015 3.068 4.230 0.230 7 0 "[ . 1]" 1
590 1 47 ASP HB3 1 48 LYS H . . 4.000 3.269 2.615 3.611 . 0 0 "[ . 1]" 1
591 1 47 ASP QB 1 52 PRO QB . . 6.000 2.414 1.934 3.323 . 0 0 "[ . 1]" 1
592 1 47 ASP HB2 1 52 PRO QG . . 6.000 4.379 3.806 5.365 . 0 0 "[ . 1]" 1
593 1 47 ASP HB3 1 52 PRO QG . . 6.000 4.978 3.797 5.241 . 0 0 "[ . 1]" 1
594 1 47 ASP QB 1 54 TRP H . . 6.000 2.714 2.344 3.978 . 0 0 "[ . 1]" 1
595 1 47 ASP QB 1 54 TRP QB . . 6.000 3.107 2.607 4.254 . 0 0 "[ . 1]" 1
596 1 48 LYS H 1 49 LYS H . . 4.000 3.414 3.195 3.550 . 0 0 "[ . 1]" 1
597 1 48 LYS H 1 50 TYR HB2 . . 5.000 4.765 4.455 4.994 . 0 0 "[ . 1]" 1
598 1 48 LYS H 1 50 TYR HB3 . . 5.000 5.132 5.107 5.176 0.176 1 0 "[ . 1]" 1
599 1 48 LYS HA 1 52 PRO QG . . 6.000 4.512 4.368 4.760 . 0 0 "[ . 1]" 1
600 1 48 LYS QB 1 49 LYS H . . 4.600 2.111 1.969 2.296 . 0 0 "[ . 1]" 1
601 1 48 LYS QG 1 50 TYR QB . . 7.000 5.422 5.133 5.612 . 0 0 "[ . 1]" 1
602 1 49 LYS H 1 49 LYS HB2 . . 4.000 2.858 2.587 3.812 . 0 0 "[ . 1]" 1
603 1 49 LYS H 1 49 LYS HB3 . . 4.000 3.374 2.778 3.736 . 0 0 "[ . 1]" 1
604 1 49 LYS H 1 50 TYR H . . 4.000 3.251 3.137 3.356 . 0 0 "[ . 1]" 1
605 1 49 LYS HA 1 50 TYR HA . . 5.000 4.336 4.308 4.351 . 0 0 "[ . 1]" 1
606 1 49 LYS HB2 1 50 TYR H . . 5.000 4.657 4.366 4.732 . 0 0 "[ . 1]" 1
607 1 49 LYS HB3 1 50 TYR H . . 5.000 4.448 4.356 4.669 . 0 0 "[ . 1]" 1
608 1 50 TYR H 1 51 ASN H . . 3.000 2.406 2.198 2.481 . 0 0 "[ . 1]" 1
609 1 50 TYR H 1 51 ASN HA . . 4.000 4.042 3.957 4.205 0.205 6 0 "[ . 1]" 1
610 1 50 TYR QB 1 51 ASN H . . 5.600 2.208 1.773 3.899 . 0 0 "[ . 1]" 1
611 1 50 TYR HB2 1 54 TRP HE1 . . 5.000 4.056 3.942 4.152 . 0 0 "[ . 1]" 1
612 1 50 TYR HB3 1 54 TRP HE1 . . 5.000 2.400 2.294 2.564 . 0 0 "[ . 1]" 1
613 1 50 TYR HB2 1 54 TRP HZ2 . . 5.000 4.698 4.626 4.864 . 0 0 "[ . 1]" 1
614 1 50 TYR HB3 1 54 TRP HZ2 . . 5.000 3.271 3.161 3.445 . 0 0 "[ . 1]" 1
615 1 50 TYR QB 1 54 TRP HH2 . . 6.000 5.245 5.118 5.303 . 0 0 "[ . 1]" 1
616 1 50 TYR CZ 1 51 ASN QB . . 7.800 5.245 4.861 6.036 . 0 0 "[ . 1]" 1
617 1 51 ASN H 1 51 ASN HA . . 3.000 2.653 2.169 2.777 . 0 0 "[ . 1]" 1
618 1 51 ASN H 1 52 PRO QD . . 6.000 2.253 1.968 2.379 . 0 0 "[ . 1]" 1
619 1 51 ASN H 1 54 TRP HZ2 . . 5.000 3.917 3.502 5.051 0.051 5 0 "[ . 1]" 1
620 1 51 ASN HA 1 52 PRO HD2 . . 5.000 2.361 2.337 2.411 . 0 0 "[ . 1]" 1
621 1 51 ASN HA 1 52 PRO HD3 . . 5.000 2.596 2.556 2.679 . 0 0 "[ . 1]" 1
622 1 51 ASN QB 1 52 PRO HD3 . . 5.600 4.209 4.170 4.236 . 0 0 "[ . 1]" 1
623 1 51 ASN QB 1 52 PRO HD2 . . 5.600 4.414 4.321 4.454 . 0 0 "[ . 1]" 1
624 1 51 ASN HB2 1 54 TRP HH2 . . 5.000 4.943 4.122 5.140 0.140 5 0 "[ . 1]" 1
625 1 51 ASN HB3 1 54 TRP HH2 . . 5.000 4.645 4.244 5.164 0.164 5 0 "[ . 1]" 1
626 1 52 PRO HA 1 53 THR HA . . 4.000 1.777 1.749 1.819 . 0 0 "[ . 1]" 1
627 1 52 PRO HA 1 53 THR HB . . 4.000 4.061 4.025 4.099 0.099 2 0 "[ . 1]" 1
628 1 52 PRO HA 1 53 THR MG . . 6.000 4.294 4.270 4.314 . 0 0 "[ . 1]" 1
629 1 52 PRO HA 1 54 TRP H . . 4.000 3.236 3.106 3.470 . 0 0 "[ . 1]" 1
630 1 52 PRO HA 1 54 TRP HD1 . . 5.000 2.195 2.114 2.369 . 0 0 "[ . 1]" 1
631 1 52 PRO HA 1 87 LYS QD . . 6.000 3.310 3.128 3.546 . 0 0 "[ . 1]" 1
632 1 52 PRO HB2 1 53 THR HA . . 5.000 2.327 2.241 2.386 . 0 0 "[ . 1]" 1
633 1 52 PRO HB3 1 53 THR HA . . 5.000 2.347 2.286 2.383 . 0 0 "[ . 1]" 1
634 1 53 THR H 1 53 THR HB . . 3.000 2.880 2.779 3.027 0.027 6 0 "[ . 1]" 1
635 1 53 THR HA 1 54 TRP H . . 4.000 2.352 2.311 2.422 . 0 0 "[ . 1]" 1
636 1 53 THR HA 1 87 LYS QD . . 6.000 4.027 3.802 4.431 . 0 0 "[ . 1]" 1
637 1 53 THR HB 1 54 TRP H . . 4.000 3.948 3.761 4.046 0.046 10 0 "[ . 1]" 1
638 1 53 THR MG 1 54 TRP H . . 6.000 3.715 3.569 3.869 . 0 0 "[ . 1]" 1
639 1 53 THR MG 1 87 LYS QD . . 7.000 3.842 3.588 4.579 . 0 0 "[ . 1]" 1
640 1 53 THR MG 1 89 GLY QA . . 7.000 3.519 1.886 4.582 . 0 0 "[ . 1]" 1
641 1 54 TRP H 1 54 TRP HB2 . . 4.000 2.511 2.448 2.583 . 0 0 "[ . 1]" 1
642 1 54 TRP H 1 54 TRP HB3 . . 4.000 3.671 3.636 3.712 . 0 0 "[ . 1]" 1
643 1 54 TRP H 1 54 TRP HD1 . . 5.000 2.554 2.496 2.612 . 0 0 "[ . 1]" 1
644 1 54 TRP H 1 54 TRP HE1 . . 5.000 5.104 5.075 5.131 0.131 7 0 "[ . 1]" 1
645 1 54 TRP H 1 87 LYS QD . . 6.000 4.375 4.052 5.176 . 0 0 "[ . 1]" 1
646 1 54 TRP HA 1 55 HIS H . . 5.000 2.487 2.347 2.574 . 0 0 "[ . 1]" 1
647 1 54 TRP HA 1 87 LYS QG . . 6.000 3.515 2.059 4.642 . 0 0 "[ . 1]" 1
648 1 54 TRP HA 1 88 SER H . . 4.000 3.401 2.948 3.811 . 0 0 "[ . 1]" 1
649 1 54 TRP HB2 1 55 HIS H . . 4.000 3.642 3.442 3.961 . 0 0 "[ . 1]" 1
650 1 54 TRP HB3 1 55 HIS H . . 4.000 2.504 2.326 2.840 . 0 0 "[ . 1]" 1
651 1 54 TRP QB 1 55 HIS HA . . 5.600 4.029 4.009 4.134 . 0 0 "[ . 1]" 1
652 1 54 TRP HB2 1 85 LEU HG . . 5.000 4.491 4.153 4.956 . 0 0 "[ . 1]" 1
653 1 54 TRP HB3 1 85 LEU HG . . 5.000 3.092 2.731 3.476 . 0 0 "[ . 1]" 1
654 1 54 TRP HB2 1 85 LEU QD . . 7.400 3.246 2.585 3.572 . 0 0 "[ . 1]" 1
655 1 54 TRP HB3 1 85 LEU QD . . 7.400 2.672 2.133 2.882 . 0 0 "[ . 1]" 1
656 1 54 TRP HE1 1 87 LYS QB . . 6.000 4.641 4.256 5.066 . 0 0 "[ . 1]" 1
657 1 54 TRP HE1 1 87 LYS QG . . 6.000 4.174 3.120 5.272 . 0 0 "[ . 1]" 1
658 1 54 TRP HE1 1 87 LYS QD . . 6.000 4.188 3.745 4.641 . 0 0 "[ . 1]" 1
659 1 54 TRP HE1 1 87 LYS QE . . 6.000 4.878 4.389 5.457 . 0 0 "[ . 1]" 1
660 1 54 TRP HH2 1 71 ARG QB . . 6.000 5.415 5.276 5.462 . 0 0 "[ . 1]" 1
661 1 54 TRP HH2 1 72 HIS HB2 . . 5.000 2.884 2.465 3.362 . 0 0 "[ . 1]" 1
662 1 54 TRP HH2 1 72 HIS HB3 . . 5.000 2.784 2.255 3.459 . 0 0 "[ . 1]" 1
663 1 54 TRP HE3 1 85 LEU QB . . 6.000 4.564 4.363 4.768 . 0 0 "[ . 1]" 1
664 1 54 TRP HZ3 1 85 LEU QB . . 6.000 5.201 5.107 5.258 . 0 0 "[ . 1]" 1
665 1 54 TRP HE3 1 85 LEU HG . . 5.000 2.831 2.489 3.196 . 0 0 "[ . 1]" 1
666 1 54 TRP HZ3 1 85 LEU HG . . 5.000 4.553 4.004 5.027 0.027 8 0 "[ . 1]" 1
667 1 54 TRP HE3 1 85 LEU QD . . 7.400 2.155 1.895 2.459 . 0 0 "[ . 1]" 1
668 1 54 TRP HZ3 1 85 LEU QD . . 7.400 2.781 2.500 3.581 . 0 0 "[ . 1]" 1
669 1 54 TRP HE3 1 86 PHE H . . 5.000 3.745 3.495 3.947 . 0 0 "[ . 1]" 1
670 1 54 TRP HE3 1 86 PHE HA . . 4.000 3.647 3.255 3.863 . 0 0 "[ . 1]" 1
671 1 54 TRP HZ3 1 86 PHE HA . . 4.000 3.901 3.543 4.031 0.031 2 0 "[ . 1]" 1
672 1 55 HIS H 1 55 HIS HB2 . . 4.000 2.821 2.747 2.884 . 0 0 "[ . 1]" 1
673 1 55 HIS H 1 55 HIS HB3 . . 4.000 3.857 3.803 3.888 . 0 0 "[ . 1]" 1
674 1 55 HIS H 1 55 HIS HD2 . . 5.000 3.507 2.978 4.345 . 0 0 "[ . 1]" 1
675 1 55 HIS H 1 56 CYS QB . . 5.600 4.683 4.441 4.835 . 0 0 "[ . 1]" 1
676 1 55 HIS HA 1 56 CYS H . . 3.000 2.189 2.186 2.203 . 0 0 "[ . 1]" 1
677 1 55 HIS QB 1 56 CYS H . . 5.600 3.413 3.236 3.518 . 0 0 "[ . 1]" 1
678 1 55 HIS QB 1 56 CYS HA . . 4.600 4.286 4.236 4.369 . 0 0 "[ . 1]" 1
679 1 55 HIS QB 1 57 ILE MD . . 7.000 3.798 2.545 4.529 . 0 0 "[ . 1]" 1
680 1 55 HIS HB2 1 86 PHE CZ . . 7.200 2.438 2.330 3.039 . 0 0 "[ . 1]" 1
681 1 55 HIS HB3 1 86 PHE CZ . . 7.200 3.019 2.530 3.536 . 0 0 "[ . 1]" 1
682 1 55 HIS HD2 1 86 PHE CZ . . 7.200 4.889 4.334 6.101 . 0 0 "[ . 1]" 1
683 1 55 HIS HD2 1 88 SER H . . 5.000 2.613 1.963 5.040 0.040 1 0 "[ . 1]" 1
684 1 56 CYS H 1 85 LEU HA . . 5.000 4.550 4.304 4.747 . 0 0 "[ . 1]" 1
685 1 56 CYS HA 1 57 ILE H . . 4.000 2.339 2.263 2.438 . 0 0 "[ . 1]" 1
686 1 56 CYS HA 1 84 LEU H . . 5.000 4.533 4.218 4.856 . 0 0 "[ . 1]" 1
687 1 56 CYS HA 1 84 LEU HG . . 5.000 4.555 4.020 5.232 0.232 7 0 "[ . 1]" 1
688 1 56 CYS HA 1 84 LEU QD . . 7.400 4.006 2.370 4.962 . 0 0 "[ . 1]" 1
689 1 56 CYS HA 1 85 LEU H . . 5.000 4.588 4.431 4.715 . 0 0 "[ . 1]" 1
690 1 56 CYS HA 1 85 LEU HB2 . . 5.000 3.581 3.158 3.889 . 0 0 "[ . 1]" 1
691 1 56 CYS HA 1 85 LEU HB3 . . 5.000 4.780 4.502 4.958 . 0 0 "[ . 1]" 1
692 1 56 CYS HA 1 85 LEU HG . . 5.000 3.889 3.577 4.374 . 0 0 "[ . 1]" 1
693 1 56 CYS HA 1 85 LEU QD . . 7.400 3.234 2.211 4.060 . 0 0 "[ . 1]" 1
694 1 56 CYS HA 1 86 PHE H . . 4.000 3.349 2.999 3.684 . 0 0 "[ . 1]" 1
695 1 56 CYS QB 1 84 LEU H . . 6.000 4.841 3.697 5.405 . 0 0 "[ . 1]" 1
696 1 56 CYS HB2 1 85 LEU HA . . 5.000 3.383 1.993 4.164 . 0 0 "[ . 1]" 1
697 1 56 CYS HB3 1 85 LEU HA . . 5.000 4.002 2.288 5.003 0.003 8 0 "[ . 1]" 1
698 1 56 CYS QB 1 85 LEU HG . . 6.000 3.531 2.276 4.420 . 0 0 "[ . 1]" 1
699 1 56 CYS QB 1 85 LEU QD . . 8.400 1.968 1.798 2.284 . 0 0 "[ . 1]" 1
700 1 57 ILE H 1 57 ILE HB . . 4.000 2.636 2.518 2.747 . 0 0 "[ . 1]" 1
701 1 57 ILE H 1 83 ILE QG . . 6.000 3.965 3.670 4.171 . 0 0 "[ . 1]" 1
702 1 57 ILE H 1 84 LEU H . . 4.000 2.749 2.498 2.973 . 0 0 "[ . 1]" 1
703 1 57 ILE H 1 84 LEU QB . . 6.000 3.941 3.270 4.453 . 0 0 "[ . 1]" 1
704 1 57 ILE H 1 84 LEU HG . . 5.000 3.571 2.379 4.557 . 0 0 "[ . 1]" 1
705 1 57 ILE H 1 84 LEU QD . . 7.400 3.339 1.818 4.216 . 0 0 "[ . 1]" 1
706 1 57 ILE H 1 85 LEU HA . . 4.000 3.534 3.272 3.742 . 0 0 "[ . 1]" 1
707 1 57 ILE H 1 85 LEU QD . . 7.400 4.740 4.193 5.212 . 0 0 "[ . 1]" 1
708 1 57 ILE HA 1 58 VAL H . . 3.000 2.382 2.312 2.478 . 0 0 "[ . 1]" 1
709 1 57 ILE HA 1 58 VAL HB . . 5.000 4.353 3.993 4.573 . 0 0 "[ . 1]" 1
710 1 57 ILE HA 1 84 LEU QD . . 7.400 4.618 3.629 5.318 . 0 0 "[ . 1]" 1
711 1 57 ILE HB 1 58 VAL H . . 4.000 3.927 3.724 4.079 0.079 9 0 "[ . 1]" 1
712 1 57 ILE HB 1 84 LEU H . . 4.000 3.899 3.512 4.061 0.061 7 0 "[ . 1]" 1
713 1 57 ILE HB 1 84 LEU QB . . 5.000 3.654 2.622 4.525 . 0 0 "[ . 1]" 1
714 1 57 ILE HB 1 84 LEU QD . . 7.400 2.433 1.797 2.968 . 0 0 "[ . 1]" 1
715 1 57 ILE HB 1 86 PHE CG . . 7.200 6.453 5.364 7.236 0.036 7 0 "[ . 1]" 1
716 1 57 ILE QG 1 84 LEU HG . . 6.000 4.438 3.166 5.219 . 0 0 "[ . 1]" 1
717 1 57 ILE QG 1 84 LEU QD . . 8.400 3.187 2.544 3.925 . 0 0 "[ . 1]" 1
718 1 57 ILE HG12 1 84 LEU QD . . 7.400 3.691 2.740 4.736 . 0 0 "[ . 1]" 1
719 1 57 ILE HG13 1 84 LEU QD . . 7.400 3.608 2.927 5.119 . 0 0 "[ . 1]" 1
720 1 57 ILE MG 1 58 VAL H . . 6.000 1.998 1.820 2.241 . 0 0 "[ . 1]" 1
721 1 57 ILE MG 1 58 VAL HA . . 6.000 3.441 3.215 3.741 . 0 0 "[ . 1]" 1
722 1 57 ILE MG 1 59 GLY H . . 6.000 3.443 2.913 4.865 . 0 0 "[ . 1]" 1
723 1 57 ILE MG 1 59 GLY QA . . 7.000 3.480 3.094 4.250 . 0 0 "[ . 1]" 1
724 1 57 ILE MG 1 84 LEU H . . 6.000 4.282 3.831 4.622 . 0 0 "[ . 1]" 1
725 1 57 ILE MD 1 58 VAL QG . . 8.400 4.442 3.789 4.865 . 0 0 "[ . 1]" 1
726 1 58 VAL H 1 58 VAL HB . . 4.000 2.963 2.625 3.369 . 0 0 "[ . 1]" 1
727 1 58 VAL H 1 59 GLY H . . 5.000 3.909 3.631 4.378 . 0 0 "[ . 1]" 1
728 1 58 VAL H 1 59 GLY QA . . 4.600 4.247 4.162 4.427 . 0 0 "[ . 1]" 1
729 1 58 VAL HA 1 59 GLY H . . 3.000 2.351 2.226 2.686 . 0 0 "[ . 1]" 1
730 1 58 VAL HA 1 81 VAL QG . . 7.400 4.451 3.879 5.404 . 0 0 "[ . 1]" 1
731 1 58 VAL HA 1 83 ILE HA . . 4.000 2.837 2.658 3.030 . 0 0 "[ . 1]" 1
732 1 58 VAL HA 1 83 ILE MD . . 6.000 4.747 3.914 5.013 . 0 0 "[ . 1]" 1
733 1 58 VAL HA 1 84 LEU H . . 5.000 3.693 3.445 3.908 . 0 0 "[ . 1]" 1
734 1 58 VAL HB 1 83 ILE QG . . 6.000 4.101 2.690 4.995 . 0 0 "[ . 1]" 1
735 1 58 VAL QG 1 59 GLY H . . 7.400 2.987 1.798 3.428 . 0 0 "[ . 1]" 1
736 1 58 VAL QG 1 83 ILE HA . . 7.400 3.232 2.592 3.770 . 0 0 "[ . 1]" 1
737 1 58 VAL QG 1 83 ILE QG . . 8.400 2.980 1.775 4.910 . 0 0 "[ . 1]" 1
738 1 58 VAL QG 1 83 ILE MG . . 8.400 4.569 3.941 5.097 . 0 0 "[ . 1]" 1
739 1 58 VAL QG 1 83 ILE MD . . 8.400 3.113 2.421 3.856 . 0 0 "[ . 1]" 1
740 1 58 VAL QG 1 84 LEU H . . 7.400 4.283 3.507 4.927 . 0 0 "[ . 1]" 1
741 1 59 GLY H 1 60 ARG H . . 5.000 3.318 2.894 4.230 . 0 0 "[ . 1]" 1
742 1 59 GLY H 1 82 ALA H . . 5.000 4.589 3.842 5.014 0.014 7 0 "[ . 1]" 1
743 1 59 GLY H 1 83 ILE HA . . 5.000 4.355 3.896 4.998 . 0 0 "[ . 1]" 1
744 1 59 GLY QA 1 60 ARG H . . 4.600 2.249 2.171 2.322 . 0 0 "[ . 1]" 1
745 1 60 ARG H 1 61 ASN H . . 4.000 1.861 1.844 1.873 . 0 0 "[ . 1]" 1
746 1 60 ARG H 1 61 ASN HA . . 4.000 4.150 4.058 4.262 0.262 10 0 "[ . 1]" 1
747 1 60 ARG H 1 61 ASN QB . . 4.600 4.129 3.708 4.282 . 0 0 "[ . 1]" 1
748 1 60 ARG HA 1 61 ASN H . . 4.000 3.557 3.066 3.614 . 0 0 "[ . 1]" 1
749 1 60 ARG HA 1 82 ALA H . . 4.000 4.017 4.005 4.035 0.035 9 0 "[ . 1]" 1
750 1 60 ARG HA 1 82 ALA MB . . 6.000 2.250 1.854 2.796 . 0 0 "[ . 1]" 1
751 1 60 ARG QB 1 61 ASN HA . . 5.600 4.226 3.920 4.452 . 0 0 "[ . 1]" 1
752 1 60 ARG QG 1 61 ASN H . . 6.000 3.904 1.905 4.651 . 0 0 "[ . 1]" 1
753 1 61 ASN HA 1 62 PHE H . . 4.000 2.826 2.379 3.653 . 0 0 "[ . 1]" 1
754 1 61 ASN HA 1 82 ALA MB . . 6.000 4.188 3.560 5.058 . 0 0 "[ . 1]" 1
755 1 61 ASN QB 1 62 PHE H . . 4.600 2.458 1.916 3.507 . 0 0 "[ . 1]" 1
756 1 61 ASN QB 1 62 PHE CG . . 7.800 5.156 4.148 6.090 . 0 0 "[ . 1]" 1
757 1 62 PHE H 1 62 PHE HB2 . . 4.000 3.003 2.338 3.814 . 0 0 "[ . 1]" 1
758 1 62 PHE H 1 62 PHE HB3 . . 4.000 3.173 2.676 3.820 . 0 0 "[ . 1]" 1
759 1 62 PHE H 1 63 GLY H . . 4.000 4.001 3.568 4.247 0.247 6 0 "[ . 1]" 1
760 1 62 PHE HA 1 63 GLY H . . 4.000 2.821 2.245 3.117 . 0 0 "[ . 1]" 1
761 1 62 PHE HA 1 63 GLY QA . . 4.600 4.060 3.960 4.152 . 0 0 "[ . 1]" 1
762 1 62 PHE QB 1 75 TYR QB . . 6.000 3.952 2.015 4.747 . 0 0 "[ . 1]" 1
763 1 62 PHE QB 1 75 TYR CZ . . 8.200 4.756 2.835 6.127 . 0 0 "[ . 1]" 1
764 1 62 PHE HB2 1 84 LEU QD . . 7.400 3.095 1.832 5.487 . 0 0 "[ . 1]" 1
765 1 62 PHE HB3 1 84 LEU QD . . 7.400 3.240 1.980 5.099 . 0 0 "[ . 1]" 1
766 1 62 PHE QB 1 84 LEU QD . . 8.400 2.741 1.689 4.478 . 0 0 "[ . 1]" 1
767 1 62 PHE CG 1 75 TYR QB . . 8.200 4.406 3.609 5.016 . 0 0 "[ . 1]" 1
768 1 62 PHE CG 1 84 LEU QD . . 9.600 3.341 2.396 4.620 . 0 0 "[ . 1]" 1
769 1 62 PHE CZ 1 75 TYR HB2 . . 7.200 5.374 4.044 6.165 . 0 0 "[ . 1]" 1
770 1 62 PHE CZ 1 75 TYR HB3 . . 7.200 5.728 3.769 7.143 . 0 0 "[ . 1]" 1
771 1 62 PHE CZ 1 75 TYR CZ . . 9.400 6.424 4.008 9.420 0.020 2 0 "[ . 1]" 1
772 1 62 PHE CZ 1 84 LEU QB . . 8.200 5.211 2.304 7.181 . 0 0 "[ . 1]" 1
773 1 63 GLY QA 1 64 SER H . . 4.600 2.395 2.173 2.952 . 0 0 "[ . 1]" 1
774 1 64 SER H 1 65 TYR H . . 4.000 3.387 2.287 4.115 0.115 3 0 "[ . 1]" 1
775 1 64 SER HA 1 65 TYR H . . 4.000 2.852 2.268 3.646 . 0 0 "[ . 1]" 1
776 1 64 SER QB 1 65 TYR H . . 5.600 3.190 1.910 3.957 . 0 0 "[ . 1]" 1
777 1 65 TYR H 1 66 VAL H . . 4.000 2.795 1.907 4.192 0.192 3 0 "[ . 1]" 1
778 1 65 TYR H 1 67 THR H . . 5.000 3.699 2.996 4.415 . 0 0 "[ . 1]" 1
779 1 65 TYR H 1 68 HIS H . . 4.000 3.906 3.552 4.043 0.043 4 0 "[ . 1]" 1
780 1 65 TYR H 1 69 GLU HA . . 5.000 5.015 4.973 5.051 0.051 2 0 "[ . 1]" 1
781 1 65 TYR HA 1 66 VAL H . . 4.000 3.619 3.565 3.635 . 0 0 "[ . 1]" 1
782 1 65 TYR HA 1 67 THR H . . 5.000 4.002 3.642 4.453 . 0 0 "[ . 1]" 1
783 1 65 TYR HA 1 69 GLU H . . 5.000 3.718 2.608 5.021 0.021 8 0 "[ . 1]" 1
784 1 65 TYR HA 1 70 THR MG . . 6.000 4.000 3.002 4.790 . 0 0 "[ . 1]" 1
785 1 65 TYR QB 1 66 VAL H . . 5.600 2.359 1.921 3.318 . 0 0 "[ . 1]" 1
786 1 65 TYR QB 1 84 LEU QD . . 8.400 4.817 3.606 5.464 . 0 0 "[ . 1]" 1
787 1 65 TYR CG 1 66 VAL H . . 7.200 3.287 2.350 4.249 . 0 0 "[ . 1]" 1
788 1 66 VAL H 1 66 VAL HB . . 4.000 2.687 2.455 3.029 . 0 0 "[ . 1]" 1
789 1 66 VAL HA 1 67 THR H . . 4.000 2.715 2.615 2.876 . 0 0 "[ . 1]" 1
790 1 66 VAL HA 1 69 GLU QB . . 6.000 4.885 3.757 5.387 . 0 0 "[ . 1]" 1
791 1 66 VAL HB 1 67 THR H . . 5.000 4.616 4.321 4.688 . 0 0 "[ . 1]" 1
792 1 66 VAL QG 1 67 THR H . . 7.400 3.588 3.450 3.786 . 0 0 "[ . 1]" 1
793 1 67 THR H 1 67 THR HB . . 4.000 2.992 2.773 3.787 . 0 0 "[ . 1]" 1
794 1 67 THR H 1 69 GLU H . . 5.000 2.627 2.420 2.983 . 0 0 "[ . 1]" 1
795 1 67 THR H 1 69 GLU HA . . 4.000 3.988 3.759 4.070 0.070 1 0 "[ . 1]" 1
796 1 67 THR H 1 69 GLU QB . . 6.000 4.361 3.617 4.748 . 0 0 "[ . 1]" 1
797 1 67 THR HA 1 68 HIS H . . 4.000 3.631 3.627 3.633 . 0 0 "[ . 1]" 1
798 1 67 THR HA 1 69 GLU H . . 5.000 4.770 4.243 5.023 0.023 9 0 "[ . 1]" 1
799 1 67 THR HA 1 69 GLU QG . . 6.000 4.824 4.165 5.382 . 0 0 "[ . 1]" 1
800 1 67 THR HB 1 68 HIS H . . 4.000 2.648 2.226 3.870 . 0 0 "[ . 1]" 1
801 1 68 HIS H 1 68 HIS HB2 . . 4.000 2.501 2.179 3.726 . 0 0 "[ . 1]" 1
802 1 68 HIS H 1 68 HIS HB3 . . 4.000 3.198 2.488 3.590 . 0 0 "[ . 1]" 1
803 1 68 HIS H 1 69 GLU H . . 4.000 2.251 1.912 3.200 . 0 0 "[ . 1]" 1
804 1 68 HIS HA 1 69 GLU H . . 4.000 3.392 2.700 3.584 . 0 0 "[ . 1]" 1
805 1 68 HIS QB 1 69 GLU QG . . 6.600 4.980 4.388 5.293 . 0 0 "[ . 1]" 1
806 1 69 GLU H 1 70 THR H . . 5.000 4.466 4.308 4.667 . 0 0 "[ . 1]" 1
807 1 69 GLU HA 1 70 THR H . . 4.000 2.459 2.370 2.782 . 0 0 "[ . 1]" 1
808 1 69 GLU QB 1 70 THR H . . 5.600 2.582 1.955 2.883 . 0 0 "[ . 1]" 1
809 1 70 THR H 1 71 ARG H . . 4.000 4.088 4.053 4.195 0.195 2 0 "[ . 1]" 1
810 1 70 THR HA 1 70 THR HB . . 3.000 2.437 2.397 2.469 . 0 0 "[ . 1]" 1
811 1 70 THR HA 1 71 ARG H . . 3.000 2.875 2.148 3.077 0.077 3 0 "[ . 1]" 1
812 1 70 THR HB 1 71 ARG H . . 4.000 2.341 1.943 3.649 . 0 0 "[ . 1]" 1
813 1 70 THR HB 1 72 HIS H . . 4.000 3.993 3.928 4.026 0.026 1 0 "[ . 1]" 1
814 1 70 THR HB 1 88 SER HA . . 4.000 3.300 2.801 4.006 0.006 5 0 "[ . 1]" 1
815 1 70 THR MG 1 73 PHE HB2 . . 6.000 4.790 4.710 4.846 . 0 0 "[ . 1]" 1
816 1 70 THR MG 1 73 PHE HB3 . . 6.000 3.690 3.577 3.881 . 0 0 "[ . 1]" 1
817 1 70 THR MG 1 86 PHE HB2 . . 6.000 2.457 2.131 2.805 . 0 0 "[ . 1]" 1
818 1 70 THR MG 1 86 PHE HB3 . . 6.000 3.533 3.163 3.962 . 0 0 "[ . 1]" 1
819 1 71 ARG H 1 88 SER HA . . 4.000 3.759 3.108 4.027 0.027 6 0 "[ . 1]" 1
820 1 71 ARG HA 1 72 HIS H . . 4.000 3.649 3.644 3.652 . 0 0 "[ . 1]" 1
821 1 71 ARG QB 1 72 HIS H . . 4.600 2.167 2.054 2.265 . 0 0 "[ . 1]" 1
822 1 71 ARG QG 1 87 LYS QB . . 7.000 4.491 3.785 5.464 . 0 0 "[ . 1]" 1
823 1 71 ARG QG 1 87 LYS QG . . 7.000 4.309 2.692 5.498 . 0 0 "[ . 1]" 1
824 1 72 HIS H 1 87 LYS H . . 4.000 2.661 2.293 2.867 . 0 0 "[ . 1]" 1
825 1 72 HIS HA 1 73 PHE H . . 4.000 2.214 2.186 2.380 . 0 0 "[ . 1]" 1
826 1 72 HIS QB 1 73 PHE HA . . 5.600 4.117 3.838 4.393 . 0 0 "[ . 1]" 1
827 1 72 HIS QB 1 86 PHE HA . . 5.000 4.513 4.367 4.581 . 0 0 "[ . 1]" 1
828 1 72 HIS HB2 1 87 LYS H . . 5.000 4.169 3.822 4.777 . 0 0 "[ . 1]" 1
829 1 72 HIS HB3 1 87 LYS H . . 5.000 4.444 3.714 4.827 . 0 0 "[ . 1]" 1
830 1 72 HIS HB2 1 87 LYS QB . . 6.000 2.988 2.646 3.540 . 0 0 "[ . 1]" 1
831 1 72 HIS HB3 1 87 LYS QB . . 6.000 3.736 2.632 4.014 . 0 0 "[ . 1]" 1
832 1 72 HIS HB2 1 87 LYS QG . . 6.000 4.115 3.767 4.573 . 0 0 "[ . 1]" 1
833 1 72 HIS HB3 1 87 LYS QG . . 6.000 5.154 3.955 5.379 . 0 0 "[ . 1]" 1
834 1 73 PHE HA 1 74 ILE H . . 4.000 2.458 2.338 2.555 . 0 0 "[ . 1]" 1
835 1 73 PHE HA 1 74 ILE MG . . 6.000 2.974 2.860 3.080 . 0 0 "[ . 1]" 1
836 1 73 PHE HA 1 85 LEU QB . . 5.000 4.302 4.233 4.409 . 0 0 "[ . 1]" 1
837 1 73 PHE HA 1 86 PHE HA . . 3.000 1.961 1.909 2.018 . 0 0 "[ . 1]" 1
838 1 73 PHE HA 1 86 PHE HB2 . . 5.000 3.802 3.624 3.998 . 0 0 "[ . 1]" 1
839 1 73 PHE HA 1 86 PHE HB3 . . 5.000 3.382 3.025 3.586 . 0 0 "[ . 1]" 1
840 1 73 PHE HB2 1 74 ILE H . . 5.000 2.592 2.345 2.899 . 0 0 "[ . 1]" 1
841 1 73 PHE HB3 1 74 ILE H . . 5.000 3.645 3.506 3.841 . 0 0 "[ . 1]" 1
842 1 73 PHE HB2 1 74 ILE MG . . 6.000 4.335 4.176 4.487 . 0 0 "[ . 1]" 1
843 1 73 PHE HB3 1 74 ILE MG . . 6.000 4.866 4.804 4.969 . 0 0 "[ . 1]" 1
844 1 73 PHE QB 1 75 TYR H . . 6.000 4.761 4.469 4.822 . 0 0 "[ . 1]" 1
845 1 73 PHE QB 1 75 TYR QB . . 6.000 4.515 4.236 4.632 . 0 0 "[ . 1]" 1
846 1 73 PHE QB 1 84 LEU QD . . 8.400 3.494 2.640 4.597 . 0 0 "[ . 1]" 1
847 1 73 PHE QB 1 86 PHE HA . . 6.000 2.474 2.198 2.914 . 0 0 "[ . 1]" 1
848 1 73 PHE HB2 1 86 PHE QB . . 5.000 2.803 2.559 3.045 . 0 0 "[ . 1]" 1
849 1 73 PHE HB3 1 86 PHE QB . . 5.000 1.959 1.848 2.138 . 0 0 "[ . 1]" 1
850 1 73 PHE QB 1 87 LYS H . . 6.000 3.644 3.264 4.055 . 0 0 "[ . 1]" 1
851 1 73 PHE CG 1 74 ILE H . . 7.200 4.350 4.113 4.550 . 0 0 "[ . 1]" 1
852 1 73 PHE CG 1 75 TYR H . . 7.200 6.194 5.752 6.467 . 0 0 "[ . 1]" 1
853 1 73 PHE CG 1 84 LEU QD . . 9.600 5.191 4.361 6.290 . 0 0 "[ . 1]" 1
854 1 74 ILE H 1 84 LEU QD . . 7.400 3.924 2.720 5.216 . 0 0 "[ . 1]" 1
855 1 74 ILE H 1 85 LEU H . . 4.000 2.812 2.673 2.932 . 0 0 "[ . 1]" 1
856 1 74 ILE H 1 85 LEU QB . . 5.000 3.530 3.442 3.665 . 0 0 "[ . 1]" 1
857 1 74 ILE H 1 85 LEU QD . . 7.400 3.983 3.599 4.527 . 0 0 "[ . 1]" 1
858 1 74 ILE H 1 86 PHE HA . . 4.000 3.824 3.731 3.926 . 0 0 "[ . 1]" 1
859 1 74 ILE H 1 86 PHE QB . . 6.000 3.863 3.685 3.998 . 0 0 "[ . 1]" 1
860 1 74 ILE HA 1 75 TYR H . . 4.000 2.180 2.176 2.194 . 0 0 "[ . 1]" 1
861 1 74 ILE HG12 1 75 TYR H . . 5.000 3.972 3.571 4.829 . 0 0 "[ . 1]" 1
862 1 74 ILE HG13 1 75 TYR H . . 5.000 3.200 2.843 4.094 . 0 0 "[ . 1]" 1
863 1 74 ILE QG 1 75 TYR HA . . 6.000 3.708 3.607 3.995 . 0 0 "[ . 1]" 1
864 1 74 ILE HG12 1 76 PHE CG . . 7.200 3.648 3.428 4.770 . 0 0 "[ . 1]" 1
865 1 74 ILE HG13 1 76 PHE CG . . 7.200 4.052 3.823 4.301 . 0 0 "[ . 1]" 1
866 1 74 ILE QG 1 84 LEU HA . . 6.000 4.632 4.332 5.047 . 0 0 "[ . 1]" 1
867 1 74 ILE MG 1 75 TYR H . . 6.000 4.423 4.383 4.463 . 0 0 "[ . 1]" 1
868 1 74 ILE MG 1 76 PHE CG . . 8.200 5.262 5.076 5.535 . 0 0 "[ . 1]" 1
869 1 74 ILE MG 1 76 PHE CZ . . 8.200 4.482 4.198 4.934 . 0 0 "[ . 1]" 1
870 1 74 ILE MG 1 85 LEU H . . 6.000 3.130 2.840 3.501 . 0 0 "[ . 1]" 1
871 1 74 ILE MG 1 85 LEU HB2 . . 6.000 3.875 3.433 4.147 . 0 0 "[ . 1]" 1
872 1 74 ILE MG 1 85 LEU HB3 . . 6.000 2.383 2.071 2.635 . 0 0 "[ . 1]" 1
873 1 74 ILE MG 1 86 PHE QB . . 7.000 5.015 4.769 5.093 . 0 0 "[ . 1]" 1
874 1 74 ILE MD 1 76 PHE HB2 . . 6.000 4.771 3.968 4.942 . 0 0 "[ . 1]" 1
875 1 74 ILE MD 1 76 PHE HB3 . . 6.000 3.713 2.539 3.943 . 0 0 "[ . 1]" 1
876 1 74 ILE MD 1 76 PHE CG . . 8.200 3.746 3.310 3.825 . 0 0 "[ . 1]" 1
877 1 74 ILE MD 1 83 ILE MG . . 7.000 4.699 4.517 4.818 . 0 0 "[ . 1]" 1
878 1 74 ILE MD 1 85 LEU QB . . 7.000 4.633 4.147 5.049 . 0 0 "[ . 1]" 1
879 1 75 TYR H 1 76 PHE CG . . 7.200 5.571 5.463 5.720 . 0 0 "[ . 1]" 1
880 1 75 TYR HA 1 76 PHE H . . 3.000 2.193 2.188 2.218 . 0 0 "[ . 1]" 1
881 1 75 TYR HA 1 76 PHE CG . . 7.200 4.490 4.419 4.613 . 0 0 "[ . 1]" 1
882 1 75 TYR HA 1 84 LEU HA . . 4.000 2.110 1.988 2.270 . 0 0 "[ . 1]" 1
883 1 75 TYR HA 1 84 LEU QB . . 6.000 2.986 2.451 3.267 . 0 0 "[ . 1]" 1
884 1 75 TYR HA 1 84 LEU QD . . 7.400 3.691 2.568 4.385 . 0 0 "[ . 1]" 1
885 1 75 TYR HA 1 85 LEU H . . 5.000 3.461 3.134 3.660 . 0 0 "[ . 1]" 1
886 1 75 TYR HB2 1 84 LEU QD . . 7.400 2.723 1.784 3.916 . 0 0 "[ . 1]" 1
887 1 75 TYR HB3 1 84 LEU QD . . 7.400 3.991 2.888 5.178 . 0 0 "[ . 1]" 1
888 1 75 TYR CG 1 76 PHE H . . 7.200 3.948 3.791 4.286 . 0 0 "[ . 1]" 1
889 1 75 TYR CG 1 84 LEU HA . . 7.200 4.285 3.520 4.645 . 0 0 "[ . 1]" 1
890 1 75 TYR CG 1 84 LEU QB . . 8.200 3.244 2.424 3.634 . 0 0 "[ . 1]" 1
891 1 75 TYR CZ 1 82 ALA MB . . 8.200 3.876 3.419 4.253 . 0 0 "[ . 1]" 1
892 1 76 PHE H 1 77 TYR HA . . 5.000 4.701 4.614 4.793 . 0 0 "[ . 1]" 1
893 1 76 PHE H 1 83 ILE H . . 4.000 3.253 3.129 3.376 . 0 0 "[ . 1]" 1
894 1 76 PHE H 1 83 ILE HB . . 5.000 5.022 4.954 5.061 0.061 7 0 "[ . 1]" 1
895 1 76 PHE HA 1 77 TYR H . . 4.000 2.653 2.632 2.662 . 0 0 "[ . 1]" 1
896 1 76 PHE HA 1 77 TYR HB2 . . 5.000 4.070 3.970 4.148 . 0 0 "[ . 1]" 1
897 1 76 PHE HA 1 77 TYR HB3 . . 5.000 5.017 4.921 5.061 0.061 6 0 "[ . 1]" 1
898 1 76 PHE HA 1 83 ILE H . . 5.000 4.835 4.739 4.925 . 0 0 "[ . 1]" 1
899 1 76 PHE HB2 1 77 TYR H . . 4.000 2.151 2.135 2.191 . 0 0 "[ . 1]" 1
900 1 76 PHE HB3 1 77 TYR H . . 4.000 3.571 3.546 3.595 . 0 0 "[ . 1]" 1
901 1 76 PHE CZ 1 83 ILE HB . . 7.200 5.004 4.689 5.187 . 0 0 "[ . 1]" 1
902 1 76 PHE CZ 1 83 ILE MD . . 8.200 4.197 3.782 4.788 . 0 0 "[ . 1]" 1
903 1 77 TYR H 1 77 TYR HB2 . . 4.000 2.440 2.396 2.506 . 0 0 "[ . 1]" 1
904 1 77 TYR H 1 77 TYR HB3 . . 4.000 2.592 2.510 2.711 . 0 0 "[ . 1]" 1
905 1 77 TYR H 1 78 LEU HA . . 5.000 4.929 4.782 5.042 0.042 10 0 "[ . 1]" 1
906 1 77 TYR HA 1 78 LEU H . . 3.000 2.192 2.187 2.215 . 0 0 "[ . 1]" 1
907 1 77 TYR HA 1 82 ALA HA . . 4.000 2.287 2.061 2.509 . 0 0 "[ . 1]" 1
908 1 77 TYR HA 1 82 ALA MB . . 6.000 3.785 3.240 4.028 . 0 0 "[ . 1]" 1
909 1 77 TYR HA 1 83 ILE H . . 5.000 3.367 3.271 3.463 . 0 0 "[ . 1]" 1
910 1 77 TYR QB 1 78 LEU H . . 4.600 3.879 3.753 3.931 . 0 0 "[ . 1]" 1
911 1 77 TYR QB 1 78 LEU HA . . 5.600 4.468 4.358 4.510 . 0 0 "[ . 1]" 1
912 1 77 TYR CZ 1 82 ALA MB . . 8.200 4.863 4.314 5.340 . 0 0 "[ . 1]" 1
913 1 78 LEU H 1 78 LEU HB2 . . 4.000 2.329 2.207 2.411 . 0 0 "[ . 1]" 1
914 1 78 LEU H 1 78 LEU HB3 . . 4.000 3.179 2.891 3.587 . 0 0 "[ . 1]" 1
915 1 78 LEU HA 1 79 GLY H . . 3.000 2.184 2.175 2.207 . 0 0 "[ . 1]" 1
916 1 78 LEU HA 1 79 GLY QA . . 5.600 3.894 3.885 3.902 . 0 0 "[ . 1]" 1
917 1 78 LEU QB 1 81 VAL HB . . 5.880 4.724 3.462 5.265 . 0 0 "[ . 1]" 1
918 1 78 LEU HB2 1 81 VAL QG . . 7.400 3.392 2.398 4.858 . 0 0 "[ . 1]" 1
919 1 78 LEU HB3 1 81 VAL QG . . 7.400 3.224 2.366 4.920 . 0 0 "[ . 1]" 1
920 1 78 LEU QB 1 83 ILE MG . . 7.000 2.709 2.169 3.266 . 0 0 "[ . 1]" 1
921 1 78 LEU QB 1 83 ILE MD . . 7.000 2.900 2.380 3.501 . 0 0 "[ . 1]" 1
922 1 78 LEU QD 1 83 ILE MD . . 8.400 2.004 1.688 2.852 . 0 0 "[ . 1]" 1
923 1 79 GLY H 1 79 GLY HA3 . . 3.000 2.813 2.788 2.837 . 0 0 "[ . 1]" 1
924 1 79 GLY H 1 79 GLY HA2 . . 3.000 2.249 2.245 2.254 . 0 0 "[ . 1]" 1
925 1 79 GLY HA3 1 80 GLN H . . 4.000 2.359 2.262 2.425 . 0 0 "[ . 1]" 1
926 1 79 GLY HA2 1 80 GLN H . . 4.000 3.567 3.494 3.603 . 0 0 "[ . 1]" 1
927 1 79 GLY QA 1 80 GLN QG . . 6.600 4.222 3.614 4.893 . 0 0 "[ . 1]" 1
928 1 79 GLY QA 1 81 VAL H . . 6.000 3.799 3.491 4.026 . 0 0 "[ . 1]" 1
929 1 79 GLY QA 1 81 VAL QG . . 8.400 4.059 3.669 4.601 . 0 0 "[ . 1]" 1
930 1 80 GLN H 1 81 VAL H . . 4.000 2.129 1.890 2.292 . 0 0 "[ . 1]" 1
931 1 80 GLN HA 1 81 VAL H . . 4.000 3.031 2.871 3.399 . 0 0 "[ . 1]" 1
932 1 81 VAL H 1 81 VAL HB . . 4.000 3.298 2.748 3.859 . 0 0 "[ . 1]" 1
933 1 81 VAL HA 1 82 ALA H . . 3.000 2.466 2.313 2.667 . 0 0 "[ . 1]" 1
934 1 81 VAL HB 1 82 ALA H . . 5.000 3.342 2.196 4.124 . 0 0 "[ . 1]" 1
935 1 81 VAL QG 1 83 ILE MD . . 8.400 3.650 3.203 4.049 . 0 0 "[ . 1]" 1
936 1 81 VAL QG 1 82 ALA H . . 7.400 2.456 1.882 3.426 . 0 0 "[ . 1]" 1
937 1 82 ALA HA 1 83 ILE H . . 3.000 2.370 2.267 2.522 . 0 0 "[ . 1]" 1
938 1 82 ALA HA 1 83 ILE HB . . 5.000 4.078 3.906 4.205 . 0 0 "[ . 1]" 1
939 1 83 ILE H 1 83 ILE HB . . 4.000 3.140 2.989 3.328 . 0 0 "[ . 1]" 1
940 1 83 ILE H 1 84 LEU H . . 4.000 4.058 4.016 4.097 0.097 8 0 "[ . 1]" 1
941 1 83 ILE H 1 84 LEU QB . . 5.600 4.310 4.098 4.437 . 0 0 "[ . 1]" 1
942 1 83 ILE HA 1 84 LEU H . . 3.000 2.182 2.177 2.198 . 0 0 "[ . 1]" 1
943 1 83 ILE HA 1 84 LEU QB . . 5.600 4.087 3.965 4.389 . 0 0 "[ . 1]" 1
944 1 83 ILE QG 1 84 LEU H . . 6.000 2.962 2.610 3.162 . 0 0 "[ . 1]" 1
945 1 83 ILE QG 1 84 LEU HA . . 6.000 4.403 3.948 4.613 . 0 0 "[ . 1]" 1
946 1 83 ILE QG 1 85 LEU H . . 6.000 4.605 4.077 5.044 . 0 0 "[ . 1]" 1
947 1 83 ILE QG 1 85 LEU QB . . 7.000 3.689 3.308 4.216 . 0 0 "[ . 1]" 1
948 1 83 ILE MG 1 84 LEU H . . 6.000 3.821 3.540 3.979 . 0 0 "[ . 1]" 1
949 1 83 ILE MG 1 85 LEU QB . . 7.000 3.979 3.796 4.341 . 0 0 "[ . 1]" 1
950 1 83 ILE MD 1 85 LEU QB . . 7.000 4.608 4.391 4.889 . 0 0 "[ . 1]" 1
951 1 84 LEU H 1 84 LEU HG . . 5.000 3.508 2.304 4.458 . 0 0 "[ . 1]" 1
952 1 84 LEU HA 1 85 LEU H . . 3.000 2.185 2.175 2.210 . 0 0 "[ . 1]" 1
953 1 84 LEU HA 1 85 LEU QB . . 5.600 4.068 4.019 4.128 . 0 0 "[ . 1]" 1
954 1 84 LEU HA 1 85 LEU QD . . 7.400 5.230 5.199 5.283 . 0 0 "[ . 1]" 1
955 1 84 LEU HG 1 86 PHE CG . . 7.200 5.253 3.984 6.406 . 0 0 "[ . 1]" 1
956 1 84 LEU QD 1 86 PHE CZ . . 9.600 4.207 3.651 4.524 . 0 0 "[ . 1]" 1
957 1 84 LEU QD 1 85 LEU H . . 7.400 3.467 2.435 4.435 . 0 0 "[ . 1]" 1
958 1 84 LEU QD 1 85 LEU HA . . 7.400 3.713 2.583 4.297 . 0 0 "[ . 1]" 1
959 1 85 LEU H 1 85 LEU HB2 . . 4.000 2.958 2.755 3.099 . 0 0 "[ . 1]" 1
960 1 85 LEU H 1 85 LEU HB3 . . 4.000 2.487 2.369 2.675 . 0 0 "[ . 1]" 1
961 1 85 LEU HA 1 86 PHE H . . 4.000 2.267 2.181 2.340 . 0 0 "[ . 1]" 1
962 1 85 LEU HA 1 86 PHE CG . . 7.200 4.529 4.261 4.778 . 0 0 "[ . 1]" 1
963 1 86 PHE HA 1 87 LYS H . . 4.000 2.323 2.265 2.427 . 0 0 "[ . 1]" 1
964 1 86 PHE QB 1 87 LYS H . . 5.600 2.894 2.623 3.043 . 0 0 "[ . 1]" 1
965 1 87 LYS H 1 87 LYS HA . . 3.000 2.930 2.910 2.939 . 0 0 "[ . 1]" 1
966 1 87 LYS H 1 87 LYS QD . . 6.000 4.502 4.385 4.868 . 0 0 "[ . 1]" 1
967 1 87 LYS H 1 88 SER QB . . 5.600 4.703 4.491 4.975 . 0 0 "[ . 1]" 1
968 1 87 LYS HA 1 88 SER H . . 3.000 2.192 2.177 2.213 . 0 0 "[ . 1]" 1
969 1 87 LYS QG 1 88 SER HA . . 6.000 4.243 3.484 5.310 . 0 0 "[ . 1]" 1
970 1 87 LYS QD 1 88 SER H . . 6.000 2.854 2.204 4.391 . 0 0 "[ . 1]" 1
971 1 88 SER HA 1 89 GLY H . . 4.000 2.538 2.216 3.649 . 0 0 "[ . 1]" 1
972 1 88 SER HA 1 89 GLY QA . . 5.600 4.057 3.921 4.545 . 0 0 "[ . 1]" 1
973 1 88 SER QB 1 89 GLY H . . 5.600 3.378 2.164 4.103 . 0 0 "[ . 1]" 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 25
_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 7 VAL 0.000 0.000 . 0 "[ . 1]"
1 9 LYS 0.000 0.000 . 0 "[ . 1]"
1 20 ASP 0.000 0.000 . 0 "[ . 1]"
1 21 ALA 0.000 0.000 . 0 "[ . 1]"
1 24 CYS 0.000 0.000 . 0 "[ . 1]"
1 25 ALA 0.000 0.000 . 0 "[ . 1]"
1 27 GLN 0.000 0.000 . 0 "[ . 1]"
1 28 ALA 0.000 0.000 . 0 "[ . 1]"
1 31 LYS 0.000 0.000 . 0 "[ . 1]"
1 32 TYR 0.000 0.000 . 0 "[ . 1]"
1 38 ILE 0.000 0.000 . 0 "[ . 1]"
1 41 TYR 0.000 0.000 . 0 "[ . 1]"
1 42 ILE 0.000 0.000 . 0 "[ . 1]"
1 46 PHE 0.000 0.000 . 0 "[ . 1]"
1 50 TYR 0.000 0.000 . 0 "[ . 1]"
1 54 TRP 0.000 0.000 . 0 "[ . 1]"
1 55 HIS 0.000 0.000 . 0 "[ . 1]"
1 62 PHE 0.000 0.000 . 0 "[ . 1]"
1 73 PHE 0.000 0.000 . 0 "[ . 1]"
1 75 TYR 0.000 0.000 . 0 "[ . 1]"
1 76 PHE 0.000 0.000 . 0 "[ . 1]"
1 77 TYR 0.000 0.000 . 0 "[ . 1]"
1 84 LEU 0.000 0.000 . 0 "[ . 1]"
1 86 PHE 0.000 0.000 . 0 "[ . 1]"
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 7 VAL HB 1 77 TYR QD . . 5.140 3.892 3.038 4.332 . 0 0 "[ . 1]" 2
2 1 9 LYS QB 1 75 TYR QD . . 6.020 2.794 2.039 4.198 . 0 0 "[ . 1]" 2
3 1 20 ASP QB 1 46 PHE QE . . 6.000 3.689 3.437 3.835 . 0 0 "[ . 1]" 2
4 1 20 ASP QB 1 46 PHE HZ . . 3.880 2.999 2.853 3.044 . 0 0 "[ . 1]" 2
5 1 20 ASP QB 1 50 TYR QE . . 7.010 4.520 3.412 5.446 . 0 0 "[ . 1]" 2
6 1 21 ALA HA 1 46 PHE QE . . 5.120 2.543 2.060 2.863 . 0 0 "[ . 1]" 2
7 1 21 ALA MB 1 76 PHE QE . . 7.150 4.281 4.061 4.529 . 0 0 "[ . 1]" 2
8 1 24 CYS HA 1 41 TYR QE . . 5.130 3.327 3.052 3.524 . 0 0 "[ . 1]" 2
9 1 25 ALA MB 1 76 PHE HZ . . 4.030 1.947 1.873 2.288 . 0 0 "[ . 1]" 2
10 1 27 GLN QB 1 41 TYR QE . . 8.010 4.134 3.708 4.436 . 0 0 "[ . 1]" 2
11 1 28 ALA HA 1 31 LYS QB . . 3.880 2.696 2.498 3.003 . 0 0 "[ . 1]" 2
12 1 28 ALA HA 1 32 TYR QD . . 5.140 2.933 2.536 3.413 . 0 0 "[ . 1]" 2
13 1 28 ALA MB 1 41 TYR QD . . 6.170 2.270 2.037 2.513 . 0 0 "[ . 1]" 2
14 1 28 ALA MB 1 42 ILE QG . . 4.900 2.582 2.475 2.793 . 0 0 "[ . 1]" 2
15 1 31 LYS QD 1 32 TYR QE . . 7.010 3.462 2.394 4.342 . 0 0 "[ . 1]" 2
16 1 32 TYR QB 1 38 ILE HA . . 3.880 3.293 3.200 3.405 . 0 0 "[ . 1]" 2
17 1 32 TYR QB 1 38 ILE QG . . 4.750 1.912 1.742 2.166 . 0 0 "[ . 1]" 2
18 1 32 TYR QB 1 38 ILE MD . . 4.900 2.382 1.786 2.776 . 0 0 "[ . 1]" 2
19 1 32 TYR QD 1 38 ILE QG . . 6.020 3.610 3.300 3.931 . 0 0 "[ . 1]" 2
20 1 50 TYR QB 1 54 TRP HE1 . . 3.880 2.383 2.280 2.541 . 0 0 "[ . 1]" 2
21 1 50 TYR QB 1 54 TRP HZ2 . . 3.880 3.212 3.116 3.367 . 0 0 "[ . 1]" 2
22 1 55 HIS QB 1 86 PHE QE . . 6.000 2.518 2.186 2.693 . 0 0 "[ . 1]" 2
23 1 55 HIS HD2 1 86 PHE QE . . 6.120 3.760 2.937 5.677 . 0 0 "[ . 1]" 2
24 1 62 PHE QD 1 84 LEU QD . . 7.250 2.825 2.189 3.460 . 0 0 "[ . 1]" 2
25 1 73 PHE HA 1 86 PHE QB . . 3.880 3.158 2.881 3.296 . 0 0 "[ . 1]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 68
_Distance_constraint_stats_list.Viol_count 377
_Distance_constraint_stats_list.Viol_total 160.723
_Distance_constraint_stats_list.Viol_max 0.168
_Distance_constraint_stats_list.Viol_rms 0.0319
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0236
_Distance_constraint_stats_list.Viol_average_violations_only 0.0426
_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 10 ASN 0.109 0.031 8 0 "[ . 1]"
1 14 SER 0.548 0.112 1 0 "[ . 1]"
1 15 GLU 1.602 0.138 9 0 "[ . 1]"
1 16 GLU 0.862 0.102 9 0 "[ . 1]"
1 17 MET 0.989 0.101 2 0 "[ . 1]"
1 18 GLN 0.553 0.112 1 0 "[ . 1]"
1 19 GLN 2.140 0.138 9 0 "[ . 1]"
1 20 ASP 1.842 0.102 9 0 "[ . 1]"
1 21 ALA 1.379 0.106 6 0 "[ . 1]"
1 22 VAL 0.743 0.118 10 0 "[ . 1]"
1 23 ASP 0.853 0.086 2 0 "[ . 1]"
1 24 CYS 1.059 0.100 4 0 "[ . 1]"
1 25 ALA 0.862 0.117 9 0 "[ . 1]"
1 26 THR 0.738 0.118 10 0 "[ . 1]"
1 27 GLN 0.315 0.072 6 0 "[ . 1]"
1 28 ALA 0.080 0.024 10 0 "[ . 1]"
1 29 LEU 0.472 0.117 9 0 "[ . 1]"
1 35 GLU 1.157 0.107 6 0 "[ . 1]"
1 36 LYS 0.209 0.050 10 0 "[ . 1]"
1 37 ASP 0.349 0.097 8 0 "[ . 1]"
1 38 ILE 0.274 0.088 10 0 "[ . 1]"
1 39 ALA 1.217 0.107 6 0 "[ . 1]"
1 40 ALA 0.412 0.050 10 0 "[ . 1]"
1 41 TYR 1.387 0.146 6 0 "[ . 1]"
1 42 ILE 0.443 0.088 10 0 "[ . 1]"
1 43 LYS 1.363 0.168 10 0 "[ . 1]"
1 44 LYS 0.613 0.099 10 0 "[ . 1]"
1 45 GLU 1.039 0.146 6 0 "[ . 1]"
1 46 PHE 0.169 0.062 5 0 "[ . 1]"
1 47 ASP 1.303 0.168 10 0 "[ . 1]"
1 48 LYS 0.410 0.099 10 0 "[ . 1]"
1 55 HIS 0.432 0.071 1 0 "[ . 1]"
1 57 ILE 0.615 0.065 6 0 "[ . 1]"
1 72 HIS 0.141 0.067 8 0 "[ . 1]"
1 74 ILE 1.122 0.086 9 0 "[ . 1]"
1 75 TYR 0.109 0.031 8 0 "[ . 1]"
1 76 PHE 0.493 0.107 7 0 "[ . 1]"
1 78 LEU 0.468 0.069 5 0 "[ . 1]"
1 81 VAL 0.468 0.069 5 0 "[ . 1]"
1 83 ILE 0.493 0.107 7 0 "[ . 1]"
1 84 LEU 0.615 0.065 6 0 "[ . 1]"
1 85 LEU 1.122 0.086 9 0 "[ . 1]"
1 86 PHE 0.432 0.071 1 0 "[ . 1]"
1 87 LYS 0.141 0.067 8 0 "[ . 1]"
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 10 ASN O 1 75 TYR N . 2.700 3.000 2.841 2.684 3.001 0.016 1 0 "[ . 1]" 3
2 1 10 ASN O 1 75 TYR H . . 2.000 1.973 1.864 2.031 0.031 8 0 "[ . 1]" 3
3 1 14 SER O 1 18 GLN N . 2.700 3.000 2.749 2.681 2.895 0.019 1 0 "[ . 1]" 3
4 1 14 SER O 1 18 GLN H . . 2.000 1.758 1.688 1.906 0.112 1 0 "[ . 1]" 3
5 1 15 GLU O 1 19 GLN N . 2.700 3.000 2.621 2.570 2.644 0.130 9 0 "[ . 1]" 3
6 1 15 GLU O 1 19 GLN H . . 2.000 1.718 1.662 1.747 0.138 9 0 "[ . 1]" 3
7 1 16 GLU O 1 20 ASP N . 2.700 3.000 3.011 2.988 3.025 0.025 4 0 "[ . 1]" 3
8 1 16 GLU O 1 20 ASP H . . 2.000 2.073 2.062 2.102 0.102 9 0 "[ . 1]" 3
9 1 17 MET O 1 21 ALA N . 2.700 3.000 2.667 2.619 2.699 0.081 9 0 "[ . 1]" 3
10 1 17 MET O 1 21 ALA H . . 2.000 1.734 1.699 1.760 0.101 2 0 "[ . 1]" 3
11 1 18 GLN O 1 22 VAL N . 2.700 3.000 2.834 2.736 2.933 . 0 0 "[ . 1]" 3
12 1 18 GLN O 1 22 VAL H . . 2.000 1.922 1.805 2.005 0.005 4 0 "[ . 1]" 3
13 1 19 GLN O 1 23 ASP N . 2.700 3.000 2.665 2.614 2.748 0.086 2 0 "[ . 1]" 3
14 1 19 GLN O 1 23 ASP H . . 2.000 1.906 1.756 2.025 0.044 2 0 "[ . 1]" 3
15 1 20 ASP O 1 24 CYS N . 2.700 3.000 3.024 2.944 3.060 0.060 5 0 "[ . 1]" 3
16 1 20 ASP O 1 24 CYS H . . 2.000 2.066 1.970 2.100 0.100 4 0 "[ . 1]" 3
17 1 21 ALA O 1 25 ALA N . 2.700 3.000 2.728 2.645 2.787 0.055 6 0 "[ . 1]" 3
18 1 21 ALA O 1 25 ALA H . . 2.000 1.777 1.694 1.885 0.106 6 0 "[ . 1]" 3
19 1 22 VAL O 1 26 THR N . 2.700 3.000 2.696 2.617 2.772 0.083 10 0 "[ . 1]" 3
20 1 22 VAL O 1 26 THR H . . 2.000 1.746 1.682 1.788 0.118 10 0 "[ . 1]" 3
21 1 23 ASP O 1 27 GLN N . 2.700 3.000 2.750 2.692 2.836 0.008 8 0 "[ . 1]" 3
22 1 23 ASP O 1 27 GLN H . . 2.000 1.785 1.728 1.867 0.072 6 0 "[ . 1]" 3
23 1 24 CYS O 1 28 ALA N . 2.700 3.000 2.713 2.676 2.764 0.024 10 0 "[ . 1]" 3
24 1 24 CYS O 1 28 ALA H . . 2.000 1.846 1.789 1.938 0.011 3 0 "[ . 1]" 3
25 1 25 ALA O 1 29 LEU N . 2.700 3.000 2.982 2.936 3.047 0.047 9 0 "[ . 1]" 3
26 1 25 ALA O 1 29 LEU H . . 2.000 2.036 1.970 2.117 0.117 9 0 "[ . 1]" 3
27 1 35 GLU O 1 39 ALA N . 2.700 3.000 2.649 2.593 2.691 0.107 6 0 "[ . 1]" 3
28 1 35 GLU O 1 39 ALA H . . 2.000 1.735 1.708 1.769 0.092 10 0 "[ . 1]" 3
29 1 36 LYS O 1 40 ALA N . 2.700 3.000 2.915 2.797 2.990 . 0 0 "[ . 1]" 3
30 1 36 LYS O 1 40 ALA H . . 2.000 2.019 1.977 2.050 0.050 10 0 "[ . 1]" 3
31 1 37 ASP O 1 41 TYR N . 2.700 3.000 2.675 2.603 2.743 0.097 8 0 "[ . 1]" 3
32 1 37 ASP O 1 41 TYR H . . 2.000 1.943 1.875 1.997 . 0 0 "[ . 1]" 3
33 1 38 ILE O 1 42 ILE N . 2.700 3.000 2.880 2.699 2.967 0.001 4 0 "[ . 1]" 3
34 1 38 ILE O 1 42 ILE H . . 2.000 2.001 1.834 2.088 0.088 10 0 "[ . 1]" 3
35 1 39 ALA O 1 43 LYS N . 2.700 3.000 2.950 2.855 3.011 0.011 8 0 "[ . 1]" 3
36 1 39 ALA O 1 43 LYS H . . 2.000 1.958 1.860 2.013 0.013 8 0 "[ . 1]" 3
37 1 40 ALA O 1 44 LYS N . 2.700 3.000 2.944 2.877 2.995 . 0 0 "[ . 1]" 3
38 1 40 ALA O 1 44 LYS H . . 2.000 2.012 1.939 2.049 0.049 4 0 "[ . 1]" 3
39 1 41 TYR O 1 45 GLU N . 2.700 3.000 2.622 2.554 2.660 0.146 6 0 "[ . 1]" 3
40 1 41 TYR O 1 45 GLU H . . 2.000 1.785 1.731 1.881 0.069 1 0 "[ . 1]" 3
41 1 42 ILE O 1 46 PHE N . 2.700 3.000 2.937 2.841 3.003 0.003 2 0 "[ . 1]" 3
42 1 42 ILE O 1 46 PHE H . . 2.000 1.989 1.899 2.062 0.062 5 0 "[ . 1]" 3
43 1 43 LYS O 1 47 ASP N . 2.700 3.000 2.615 2.561 2.683 0.139 5 0 "[ . 1]" 3
44 1 43 LYS O 1 47 ASP H . . 2.000 1.774 1.632 1.902 0.168 10 0 "[ . 1]" 3
45 1 44 LYS O 1 48 LYS N . 2.700 3.000 2.848 2.703 2.955 . 0 0 "[ . 1]" 3
46 1 44 LYS O 1 48 LYS H . . 2.000 2.039 1.980 2.099 0.099 10 0 "[ . 1]" 3
47 1 55 HIS O 1 86 PHE N . 2.700 3.000 2.890 2.801 2.974 . 0 0 "[ . 1]" 3
48 1 55 HIS O 1 86 PHE H . . 2.000 2.011 1.950 2.043 0.043 9 0 "[ . 1]" 3
49 1 57 ILE O 1 84 LEU N . 2.700 3.000 2.986 2.725 3.058 0.058 10 0 "[ . 1]" 3
50 1 57 ILE O 1 84 LEU H . . 2.000 2.011 1.766 2.065 0.065 6 0 "[ . 1]" 3
51 1 72 HIS O 1 87 LYS N . 2.700 3.000 2.765 2.682 2.935 0.018 6 0 "[ . 1]" 3
52 1 72 HIS O 1 87 LYS H . . 2.000 1.962 1.854 2.067 0.067 8 0 "[ . 1]" 3
53 1 74 ILE O 1 85 LEU N . 2.700 3.000 3.015 2.923 3.083 0.083 9 0 "[ . 1]" 3
54 1 74 ILE O 1 85 LEU H . . 2.000 2.047 2.002 2.086 0.086 9 0 "[ . 1]" 3
55 1 76 PHE O 1 83 ILE N . 2.700 3.000 2.874 2.792 2.977 . 0 0 "[ . 1]" 3
56 1 76 PHE O 1 83 ILE H . . 2.000 2.022 1.993 2.052 0.052 6 0 "[ . 1]" 3
57 1 78 LEU O 1 81 VAL N . 2.700 3.000 2.873 2.790 2.964 . 0 0 "[ . 1]" 3
58 1 78 LEU O 1 81 VAL H . . 2.000 1.980 1.936 2.026 0.026 5 0 "[ . 1]" 3
59 1 78 LEU N 1 81 VAL O . 2.700 3.000 2.666 2.631 2.707 0.069 5 0 "[ . 1]" 3
60 1 78 LEU H 1 81 VAL O . . 2.000 1.902 1.779 2.033 0.033 7 0 "[ . 1]" 3
61 1 76 PHE N 1 83 ILE O . 2.700 3.000 2.953 2.847 3.023 0.023 7 0 "[ . 1]" 3
62 1 76 PHE H 1 83 ILE O . . 2.000 2.016 1.933 2.107 0.107 7 0 "[ . 1]" 3
63 1 57 ILE N 1 84 LEU O . 2.700 3.000 2.822 2.696 2.917 0.004 7 0 "[ . 1]" 3
64 1 57 ILE H 1 84 LEU O . . 2.000 1.926 1.774 2.010 0.026 10 0 "[ . 1]" 3
65 1 74 ILE N 1 85 LEU O . 2.700 3.000 2.679 2.634 2.757 0.066 6 0 "[ . 1]" 3
66 1 74 ILE H 1 85 LEU O . . 2.000 1.818 1.750 1.947 0.050 9 0 "[ . 1]" 3
67 1 55 HIS N 1 86 PHE O . 2.700 3.000 2.719 2.659 2.808 0.041 4 0 "[ . 1]" 3
68 1 55 HIS H 1 86 PHE O . . 2.000 1.822 1.729 1.934 0.071 1 0 "[ . 1]" 3
stop_
save_
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