NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
638512 |
6nzn   |
30572 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6nzn
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 578
_Distance_constraint_stats_list.Viol_count 2712
_Distance_constraint_stats_list.Viol_total 1318218.625
_Distance_constraint_stats_list.Viol_max 93.517
_Distance_constraint_stats_list.Viol_rms 31.7052
_Distance_constraint_stats_list.Viol_average_all_restraints 22.8065
_Distance_constraint_stats_list.Viol_average_violations_only 48.6069
_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 HIS 15510.339 93.517 10 10 [***-*****+]
1 2 SER 5623.347 84.380 9 10 [******-*+*]
1 3 GLN 9023.259 81.576 9 10 [***-****+*]
1 4 GLY 8561.472 71.190 9 10 [***-****+*]
1 5 THR 9867.762 72.085 9 10 [******-*+*]
1 6 PHE 1219.735 66.675 9 10 [***-****+*]
1 7 THR 0.156 0.067 4 0 "[ . 1]"
1 8 SER 4220.693 48.904 9 10 [***-****+*]
1 9 ASP 797.472 43.762 9 10 [*******-+*]
1 10 TYR 903.532 32.668 9 10 [***-****+*]
1 11 SER 1230.526 26.953 9 10 [***-****+*]
1 12 LYS 2532.756 21.864 6 10 [****-+****]
1 13 TYR 1463.394 16.969 6 10 [*****+*-**]
1 14 LEU 235.908 10.541 9 10 [-*******+*]
1 15 ASP 239.405 11.283 9 10 [***-****+*]
1 16 SER 199.161 7.911 8 10 [*****-*+**]
1 17 ARG 1510.557 15.001 8 10 [*******+-*]
1 18 ARG 1110.065 20.341 8 10 [*******+-*]
1 19 ALA 2251.472 22.079 4 10 [-**+******]
1 20 GLN 1846.141 30.181 7 10 [******+**-]
1 21 ASP 304.082 31.266 4 10 [***+****-*]
1 22 PHE 725.190 38.698 4 10 [***+****-*]
1 23 VAL 3954.125 46.686 4 10 [***+****-*]
1 24 GLN 518.587 52.708 8 10 [*******+-*]
1 25 TRP 5051.278 66.475 8 10 [-******+**]
1 26 LEU 18593.719 73.936 4 10 [***+****-*]
1 27 MET 12048.159 73.643 4 10 [**-+******]
1 28 ASN 8695.977 83.117 4 10 [***+****-*]
1 29 THR 13526.925 93.398 4 10 [***+****-*]
2 1 HIS 13526.925 93.398 4 10 [***+****-*]
2 2 SER 3251.883 83.117 4 10 [**-+******]
2 3 GLN 11145.111 81.855 4 10 [**-+******]
2 4 GLY 9847.120 73.643 4 10 [-**+******]
2 5 THR 19539.268 70.242 4 10 [***+**-***]
2 6 PHE 622.717 62.785 4 10 [***+**-***]
2 7 THR 518.176 52.708 8 10 [*******+-*]
2 8 SER 3554.777 46.686 4 10 [***+****-*]
2 9 ASP 1124.287 40.758 8 10 [*******+-*]
2 10 TYR 1163.103 31.266 4 10 [***+*****-]
2 11 SER 2117.821 25.916 7 10 [******+*-*]
2 12 LYS 2115.928 20.574 4 10 [***+****-*]
2 13 TYR 1325.662 16.463 4 10 [***+****-*]
2 14 LEU 330.774 13.256 4 10 [-**+******]
2 15 ASP 168.627 7.564 7 10 [******+*-*]
2 16 SER 211.629 8.630 9 10 [***-****+*]
2 17 ARG 1494.443 16.248 9 10 [*******-+*]
2 18 ARG 1686.094 21.342 9 10 [*******-+*]
2 19 ALA 2051.287 22.417 9 10 [***-****+*]
2 20 GLN 843.491 31.716 9 10 [********+-]
2 21 ASP 317.706 32.668 9 10 [***-****+*]
2 22 PHE 412.773 37.873 4 10 [***+-*****]
2 23 VAL 4694.141 48.904 9 10 [****-***+*]
2 24 GLN 575.257 58.016 9 10 [********+*]
2 25 TRP 6476.040 68.057 9 10 [***-****+*]
2 26 LEU 14254.017 76.756 6 10 [*****+**-*]
2 27 MET 2747.098 73.591 6 10 [-****+****]
2 28 ASN 10251.903 84.380 9 10 [***-****+*]
2 29 THR 15510.339 93.517 10 10 [***-*****+]
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 HIS C 2 29 THR C . . 7.000 96.695 95.831 97.749 90.749 10 10 [*******-*+] 1
2 1 1 HIS C 2 29 THR CB . . 7.000 96.220 95.283 96.689 89.689 10 10 [***-*****+] 1
3 1 1 HIS C 2 29 THR CG2 . . 7.000 96.602 95.640 97.397 90.397 1 10 [+***-*****] 1
4 1 1 HIS CA 2 29 THR C . . 7.000 97.808 97.003 98.924 91.924 10 10 [*******-*+] 1
5 1 1 HIS CA 2 29 THR CA . . 7.000 96.781 95.892 97.651 90.651 10 10 [***-*****+] 1
6 1 1 HIS CA 2 29 THR CB . . 7.000 97.346 96.380 97.879 90.879 10 10 [***-*****+] 1
7 1 1 HIS CB 2 29 THR C . . 7.000 99.027 98.240 100.055 93.055 10 10 [*******-*+] 1
8 1 1 HIS CB 2 29 THR CA . . 7.000 98.002 97.130 98.780 91.780 10 10 [***-*****+] 1
9 1 1 HIS CB 2 29 THR CB . . 7.000 98.571 97.624 99.059 92.059 8 10 [***-***+**] 1
10 1 1 HIS CD2 2 29 THR CA . . 7.000 98.482 97.856 99.265 92.265 6 10 [***-*+****] 1
11 1 1 HIS CD2 2 29 THR CB . . 7.000 99.036 98.313 99.506 92.506 6 10 [***-*+****] 1
12 1 1 HIS CE1 2 29 THR CA . . 7.000 99.299 98.332 100.146 93.146 10 10 [***-*****+] 1
13 1 1 HIS CE1 2 29 THR CB . . 7.000 99.835 98.794 100.334 93.334 10 10 [***-*****+] 1
14 1 1 HIS CG 2 29 THR C . . 7.000 99.487 98.620 100.517 93.517 10 10 [*******-*+] 1
15 1 1 HIS CG 2 29 THR CA . . 7.000 98.450 97.607 99.230 92.230 10 10 [***-*****+] 1
16 1 1 HIS CG 2 29 THR CB . . 7.000 99.007 98.083 99.448 92.448 10 10 [***-*****+] 1
17 1 1 HIS CG 2 29 THR CG2 . . 7.000 99.388 98.388 100.178 93.178 1 10 [+*******-*] 1
18 1 2 SER CA 1 3 GLN C . . 8.500 4.847 4.834 4.853 . 0 0 "[ . 1]" 1
19 1 2 SER CA 1 3 GLN CA . . 8.500 3.803 3.802 3.804 . 0 0 "[ . 1]" 1
20 1 2 SER CA 1 3 GLN CB . . 8.500 4.462 4.438 4.505 . 0 0 "[ . 1]" 1
21 1 2 SER CA 1 3 GLN CG . . 8.500 5.354 4.430 5.959 . 0 0 "[ . 1]" 1
22 1 2 SER CA 1 4 GLY C . . 8.500 8.431 8.292 8.513 0.013 10 0 "[ . 1]" 1
23 1 2 SER CA 2 26 LEU CD2 . . 8.500 84.058 82.392 85.256 76.756 6 10 [*****+-***] 1
24 1 2 SER CA 2 26 LEU CG . . 8.500 84.416 83.434 85.214 76.714 6 10 [*****+-***] 1
25 1 2 SER CA 2 28 ASN CA . . 8.500 90.246 89.345 91.070 82.570 9 10 [***-****+*] 1
26 1 2 SER CA 2 28 ASN CB . . 8.500 90.142 89.263 90.920 82.420 9 10 [***-****+*] 1
27 1 2 SER CA 2 28 ASN CG . . 8.500 90.426 89.215 91.778 83.278 9 10 [*******-+*] 1
28 1 2 SER CB 1 3 GLN CA . . 8.500 4.462 4.410 4.508 . 0 0 "[ . 1]" 1
29 1 2 SER CB 1 3 GLN CD . . 8.500 7.523 6.093 8.028 . 0 0 "[ . 1]" 1
30 1 2 SER CB 1 3 GLN CG . . 8.500 6.399 5.707 6.868 . 0 0 "[ . 1]" 1
31 1 2 SER CB 1 4 GLY CA . . 8.500 7.334 7.060 7.588 . 0 0 "[ . 1]" 1
32 1 2 SER CB 2 28 ASN C . . 8.500 91.816 90.938 92.880 84.380 9 10 [***-****+*] 1
33 1 2 SER CB 2 28 ASN CA . . 8.500 90.726 89.821 91.786 83.286 9 10 [***-****+*] 1
34 1 3 GLN C 1 5 THR CB . . 8.500 6.270 5.908 6.544 . 0 0 "[ . 1]" 1
35 1 3 GLN C 1 5 THR CG2 . . 8.000 5.477 5.034 5.831 . 0 0 "[ . 1]" 1
36 1 3 GLN C 2 28 ASN CG . . 8.500 85.749 84.466 87.227 78.727 9 10 [*******-+*] 1
37 1 3 GLN CA 1 5 THR CA . . 8.500 6.958 6.765 7.139 . 0 0 "[ . 1]" 1
38 1 3 GLN CA 2 28 ASN CA . . 6.000 86.663 85.653 87.576 81.576 9 10 [***-****+*] 1
39 1 3 GLN CB 1 4 GLY C . . 8.000 5.168 5.069 5.267 . 0 0 "[ . 1]" 1
40 1 3 GLN CB 1 5 THR CA . . 8.000 6.961 6.835 7.166 . 0 0 "[ . 1]" 1
41 1 3 GLN CB 1 5 THR CG2 . . 8.000 5.752 5.348 6.166 . 0 0 "[ . 1]" 1
42 1 3 GLN CB 2 26 LEU CB . . 9.000 79.475 78.493 80.269 71.269 9 10 [***-****+*] 1
43 1 3 GLN CB 2 26 LEU CD1 . . 8.000 81.434 80.728 82.204 74.204 9 10 [***-****+*] 1
44 1 3 GLN CB 2 28 ASN CA . . 8.000 86.254 85.191 87.068 79.068 9 10 [***-****+*] 1
45 1 3 GLN CB 2 28 ASN CG . . 8.000 86.427 85.222 87.751 79.751 9 10 [***-****+*] 1
46 1 3 GLN CD 1 4 GLY CA . . 8.500 4.862 4.088 6.154 . 0 0 "[ . 1]" 1
47 1 3 GLN CD 1 5 THR CA . . 8.500 6.125 5.179 8.360 . 0 0 "[ . 1]" 1
48 1 3 GLN CD 1 5 THR CB . . 8.500 5.714 4.722 8.057 . 0 0 "[ . 1]" 1
49 1 3 GLN CD 2 27 MET CE . . 8.500 79.557 78.004 82.091 73.591 6 10 [***-*+****] 1
50 1 3 GLN CD 2 28 ASN CA . . 8.500 84.556 82.752 86.987 78.487 6 10 [***-*+****] 1
51 1 3 GLN CD 2 28 ASN CB . . 9.000 84.419 82.640 86.774 77.774 6 10 [***-*+****] 1
52 1 3 GLN CG 1 5 THR CA . . 8.500 6.552 5.823 7.416 . 0 0 "[ . 1]" 1
53 1 3 GLN CG 1 5 THR CB . . 8.500 6.391 5.553 7.072 . 0 0 "[ . 1]" 1
54 1 3 GLN CG 2 26 LEU CD1 . . 8.000 80.666 79.462 81.656 73.656 3 10 [**+****-**] 1
55 1 3 GLN CG 2 26 LEU CG . . 8.000 79.631 78.527 80.996 72.996 3 10 [**+***-***] 1
56 1 3 GLN CG 2 28 ASN CA . . 8.500 85.494 84.083 86.478 77.978 9 10 [***-****+*] 1
57 1 4 GLY C 1 5 THR CA . . 8.500 2.434 2.433 2.435 . 0 0 "[ . 1]" 1
58 1 4 GLY C 1 5 THR CB . . 8.500 3.451 3.413 3.486 . 0 0 "[ . 1]" 1
59 1 4 GLY C 2 25 TRP CB . . 9.000 71.697 70.768 72.547 63.547 9 10 [***-****+*] 1
60 1 4 GLY C 2 27 MET CB . . 8.500 78.697 77.689 79.690 71.190 9 10 [***-****+*] 1
61 1 4 GLY C 2 27 MET CE . . 8.500 77.074 76.317 78.030 69.530 9 10 [***-****+*] 1
62 1 4 GLY CA 1 5 THR C . . 8.500 4.739 4.719 4.760 . 0 0 "[ . 1]" 1
63 1 4 GLY CA 1 5 THR CA . . 6.000 3.796 3.795 3.797 . 0 0 "[ . 1]" 1
64 1 4 GLY CA 1 5 THR CB . . 8.500 4.684 4.660 4.707 . 0 0 "[ . 1]" 1
65 1 4 GLY CA 1 5 THR CG2 . . 8.500 4.401 4.262 4.940 . 0 0 "[ . 1]" 1
66 1 4 GLY CA 2 25 TRP CA . . 8.000 73.073 72.179 73.925 65.925 9 10 [***-****+*] 1
67 1 4 GLY CA 2 25 TRP CB . . 8.000 72.984 72.087 73.845 65.845 9 10 [***-****+*] 1
68 1 4 GLY CA 2 25 TRP CD1 . . 10.000 73.763 70.758 75.923 65.923 9 10 [***-****+*] 1
69 1 4 GLY CA 2 25 TRP CD2 . . 10.000 74.518 72.846 75.906 65.906 9 10 [***-****+*] 1
70 1 4 GLY CA 2 25 TRP CE2 . . 10.000 75.025 72.261 77.089 67.089 9 10 [***-****+*] 1
71 1 4 GLY CA 2 25 TRP CG . . 10.000 73.712 71.879 75.164 65.164 9 10 [***-****+*] 1
72 1 4 GLY CA 2 25 TRP CH2 . . 10.000 76.218 74.247 77.842 67.842 9 10 [-*******+*] 1
73 1 4 GLY CA 2 25 TRP CZ2 . . 10.000 75.877 72.908 78.057 68.057 9 10 [-*******+*] 1
74 1 4 GLY CA 2 25 TRP CZ3 . . 10.000 75.728 74.765 76.684 66.684 9 10 [****-***+*] 1
75 1 4 GLY CA 2 26 LEU C . . 8.000 77.776 76.914 78.624 70.624 9 10 [***-****+*] 1
76 1 5 THR C 2 26 LEU C . . 8.500 73.053 72.194 73.899 65.399 9 10 [***-****+*] 1
77 1 5 THR C 2 26 LEU CD1 . . 8.500 74.081 73.450 74.877 66.377 9 10 [******-*+*] 1
78 1 5 THR C 2 26 LEU CD2 . . 8.500 72.735 71.053 73.870 65.370 3 10 [**+***-***] 1
79 1 5 THR C 2 26 LEU CG . . 8.500 73.038 72.056 73.850 65.350 3 10 [**+***-***] 1
80 1 5 THR CA 1 6 PHE CA . . 8.000 3.803 3.802 3.804 . 0 0 "[ . 1]" 1
81 1 5 THR CA 1 6 PHE CD1 . . 8.000 5.780 4.088 7.097 . 0 0 "[ . 1]" 1
82 1 5 THR CA 1 7 THR CA . . 8.000 6.656 6.564 6.821 . 0 0 "[ . 1]" 1
83 1 5 THR CA 2 26 LEU C . . 8.500 74.114 73.203 74.946 66.446 9 10 [***-****+*] 1
84 1 5 THR CA 2 26 LEU CA . . 6.000 72.974 72.043 73.815 67.815 9 10 [***-****+*] 1
85 1 5 THR CA 2 26 LEU CD1 . . 8.500 75.107 74.456 75.900 67.400 9 10 [***-****+*] 1
86 1 5 THR CA 2 26 LEU CG . . 8.500 74.070 73.147 74.960 66.460 3 10 [**+***-***] 1
87 1 5 THR CA 2 28 ASN CB . . 8.500 79.770 78.782 80.585 72.085 9 10 [***-****+*] 1
88 1 5 THR CB 1 6 PHE C . . 8.000 5.322 5.233 5.428 . 0 0 "[ . 1]" 1
89 1 5 THR CB 1 6 PHE CA . . 8.000 4.661 4.576 4.722 . 0 0 "[ . 1]" 1
90 1 5 THR CB 1 6 PHE CB . . 8.500 5.789 5.669 5.862 . 0 0 "[ . 1]" 1
91 1 5 THR CB 2 26 LEU CA . . 8.500 72.526 71.556 73.348 64.848 9 10 [***-****+*] 1
92 1 5 THR CB 2 26 LEU CD1 . . 8.500 74.619 73.935 75.392 66.892 9 10 [***-****+*] 1
93 1 5 THR CB 2 26 LEU CG . . 8.500 73.583 72.708 74.564 66.064 3 10 [**+***-***] 1
94 1 5 THR CG2 1 6 PHE CA . . 8.500 6.073 5.873 6.135 . 0 0 "[ . 1]" 1
95 1 5 THR CG2 1 6 PHE CB . . 8.000 7.096 6.943 7.162 . 0 0 "[ . 1]" 1
96 1 5 THR CG2 2 26 LEU CA . . 8.500 73.654 72.727 74.524 66.024 9 10 [***-****+*] 1
97 1 5 THR CG2 2 26 LEU CB . . 8.500 73.761 72.842 74.614 66.114 9 10 [***-****+*] 1
98 1 5 THR CG2 2 26 LEU CG . . 8.500 74.691 73.900 75.774 67.274 3 10 [**+*-*****] 1
99 1 6 PHE C 1 7 THR CB . . 8.000 3.444 3.366 3.524 . 0 0 "[ . 1]" 1
100 1 6 PHE CA 1 7 THR CA . . 8.000 3.804 3.803 3.804 . 0 0 "[ . 1]" 1
101 1 6 PHE CA 1 7 THR CB . . 8.000 4.686 4.636 4.737 . 0 0 "[ . 1]" 1
102 1 6 PHE CA 1 8 SER CA . . 8.000 6.927 6.794 7.029 . 0 0 "[ . 1]" 1
103 1 6 PHE CA 1 8 SER CB . . 8.000 7.096 6.960 7.333 . 0 0 "[ . 1]" 1
104 1 6 PHE CA 2 24 GLN CG . . 8.000 65.078 64.026 66.016 58.016 9 10 [***-****+*] 1
105 1 6 PHE CA 2 27 MET CG . . 8.500 73.380 71.862 75.175 66.675 9 10 [-*******+*] 1
106 1 6 PHE CE1 1 7 THR CA . . 8.000 6.593 4.705 8.067 0.067 4 0 "[ . 1]" 1
107 1 7 THR C 1 9 ASP CB . . 8.000 6.126 5.965 6.234 . 0 0 "[ . 1]" 1
108 1 7 THR CA 1 9 ASP CA . . 8.000 6.935 6.846 6.996 . 0 0 "[ . 1]" 1
109 1 8 SER C 2 23 VAL CA . . 7.000 51.639 50.587 52.546 45.546 9 10 [***-****+*] 1
110 1 8 SER CA 1 9 ASP CB . . 8.000 4.610 4.569 4.626 . 0 0 "[ . 1]" 1
111 1 8 SER CA 2 23 VAL C . . 7.000 54.285 53.222 55.204 48.204 9 10 [***-****+*] 1
112 1 8 SER CA 2 23 VAL CA . . 6.000 52.950 51.916 53.848 47.848 9 10 [***-****+*] 1
113 1 8 SER CA 2 23 VAL CB . . 6.000 52.618 51.541 53.541 47.541 9 10 [***-****+*] 1
114 1 8 SER CA 2 23 VAL CG1 . . 6.000 53.710 52.648 54.580 48.580 9 10 [***-****+*] 1
115 1 8 SER CB 1 9 ASP CG . . 8.000 6.069 5.567 7.024 . 0 0 "[ . 1]" 1
116 1 8 SER CB 2 23 VAL C . . 8.000 54.645 53.587 55.604 47.604 9 10 [***-****+*] 1
117 1 8 SER CB 2 23 VAL CA . . 6.000 53.301 52.273 54.238 48.238 9 10 [***-****+*] 1
118 1 8 SER CB 2 23 VAL CB . . 6.000 52.928 51.856 53.891 47.891 9 10 [***-****+*] 1
119 1 8 SER CB 2 23 VAL CG1 . . 6.000 53.993 52.936 54.904 48.904 9 10 [***-****+*] 1
120 1 9 ASP CA 1 10 TYR CA . . 8.000 3.803 3.802 3.804 . 0 0 "[ . 1]" 1
121 1 9 ASP CA 1 11 SER CB . . 8.000 6.966 6.862 7.174 . 0 0 "[ . 1]" 1
122 1 9 ASP CB 2 22 PHE CE1 . . 8.000 44.840 43.006 45.873 37.873 4 10 [***+***-**] 1
123 1 9 ASP N 2 23 VAL CG2 . . 6.000 48.907 47.850 49.762 43.762 9 10 [***-****+*] 1
124 1 10 TYR C 2 20 GLN CA . . 8.000 35.782 34.870 36.742 28.742 9 10 [***-****+*] 1
125 1 10 TYR CA 2 20 GLN CD . . 8.000 38.800 37.397 39.716 31.716 9 10 [***-****+*] 1
126 1 10 TYR CA 2 21 ASP CA . . 8.000 39.771 38.815 40.668 32.668 9 10 [***-****+*] 1
127 1 11 SER C 1 12 LYS C . . 8.500 3.618 3.577 3.648 . 0 0 "[ . 1]" 1
128 1 11 SER C 1 12 LYS CB . . 8.500 3.310 3.258 3.376 . 0 0 "[ . 1]" 1
129 1 11 SER C 1 12 LYS CD . . 8.500 5.570 5.166 5.785 . 0 0 "[ . 1]" 1
130 1 11 SER C 1 12 LYS CG . . 8.500 4.379 3.951 4.732 . 0 0 "[ . 1]" 1
131 1 11 SER C 2 17 ARG CZ . . 8.500 23.596 22.670 24.748 16.248 9 10 [***-****+*] 1
132 1 11 SER C 2 19 ALA C . . 8.500 30.004 29.100 30.917 22.417 9 10 [***-****+*] 1
133 1 11 SER C 2 20 GLN CG . . 8.000 33.766 32.661 34.953 26.953 9 10 [********+-] 1
134 1 11 SER CA 1 13 TYR CA . . 8.500 6.929 6.798 7.057 . 0 0 "[ . 1]" 1
135 1 11 SER CB 1 12 LYS CA . . 6.000 4.621 4.559 4.693 . 0 0 "[ . 1]" 1
136 1 11 SER CB 1 12 LYS CB . . 8.500 5.709 5.636 5.783 . 0 0 "[ . 1]" 1
137 1 11 SER CB 1 12 LYS CD . . 8.500 7.822 7.502 8.236 . 0 0 "[ . 1]" 1
138 1 11 SER CB 1 12 LYS CE . . 8.500 8.437 8.233 8.548 0.048 7 0 "[ . 1]" 1
139 1 11 SER CB 1 12 LYS CG . . 8.500 6.672 6.114 7.125 . 0 0 "[ . 1]" 1
140 1 11 SER CB 1 13 TYR CB . . 8.500 6.994 6.785 7.148 . 0 0 "[ . 1]" 1
141 1 11 SER CB 2 18 ARG CD . . 8.500 28.832 27.898 29.842 21.342 9 10 [***-****+*] 1
142 1 11 SER CB 2 18 ARG CG . . 8.500 28.228 27.440 29.030 20.530 9 10 [***-****+*] 1
143 1 11 SER CB 2 19 ALA CA . . 8.500 29.117 28.156 30.094 21.594 9 10 [***-****+*] 1
144 1 12 LYS CA 1 13 TYR CA . . 8.500 3.803 3.802 3.804 . 0 0 "[ . 1]" 1
145 1 12 LYS CA 2 19 ALA CA . . 6.000 26.929 26.176 27.664 21.664 3 10 [**+-******] 1
146 1 12 LYS CB 1 13 TYR CA . . 8.500 4.625 4.548 4.706 . 0 0 "[ . 1]" 1
147 1 12 LYS CB 1 13 TYR CB . . 8.500 5.739 5.652 5.822 . 0 0 "[ . 1]" 1
148 1 12 LYS CB 1 14 LEU CG . . 8.500 7.858 5.819 8.483 . 0 0 "[ . 1]" 1
149 1 12 LYS CB 2 17 ARG CD . . 8.500 20.481 19.561 22.207 13.707 3 10 [**+-******] 1
150 1 12 LYS CB 2 17 ARG CG . . 8.500 20.553 19.947 21.237 12.737 6 10 [*****+-***] 1
151 1 12 LYS CB 2 17 ARG CZ . . 8.500 22.483 21.741 23.442 14.942 3 10 [**+-******] 1
152 1 12 LYS CD 1 14 LEU CA . . 8.000 6.315 5.492 7.846 . 0 0 "[ . 1]" 1
153 1 12 LYS CD 1 14 LEU CB . . 8.500 5.846 5.013 7.342 . 0 0 "[ . 1]" 1
154 1 12 LYS CD 2 17 ARG CB . . 8.500 20.762 19.450 22.475 13.975 6 10 [****-+****] 1
155 1 12 LYS CD 2 17 ARG CG . . 8.500 20.272 19.090 22.208 13.708 6 10 [****-+****] 1
156 1 12 LYS CD 2 19 ALA C . . 8.500 28.642 27.296 30.364 21.864 6 10 [***-*+****] 1
157 1 12 LYS CD 2 19 ALA CA . . 8.500 27.219 25.920 28.965 20.465 6 10 [***-*+****] 1
158 1 12 LYS CD 2 19 ALA CB . . 8.500 26.543 25.150 28.226 19.726 6 10 [***-*+****] 1
159 1 12 LYS CE 1 13 TYR CA . . 6.000 5.435 3.520 6.006 0.006 7 0 "[ . 1]" 1
160 1 12 LYS CE 1 14 LEU CB . . 8.500 5.816 3.900 6.433 . 0 0 "[ . 1]" 1
161 1 12 LYS CE 2 17 ARG CZ . . 8.500 22.065 19.884 23.642 15.142 3 10 [**+*-*****] 1
162 1 12 LYS CE 2 19 ALA CA . . 8.500 27.431 25.131 28.762 20.262 3 10 [*-+*******] 1
163 1 12 LYS CG 2 17 ARG CB . . 8.500 20.847 19.820 22.193 13.693 6 10 [***-*+****] 1
164 1 12 LYS CG 2 17 ARG CZ . . 8.500 22.196 20.953 23.237 14.737 6 10 [***-*+****] 1
165 1 12 LYS CG 2 18 ARG C . . 8.500 26.109 24.984 27.475 18.975 6 10 [***-*+****] 1
166 1 12 LYS CG 2 19 ALA CA . . 8.500 27.424 26.155 28.809 20.309 6 10 [***-*+****] 1
167 1 12 LYS CG 2 19 ALA CB . . 8.500 26.810 25.444 28.139 19.639 6 10 [***-*+****] 1
168 1 13 TYR CA 1 14 LEU CD1 . . 8.500 6.417 4.291 7.024 . 0 0 "[ . 1]" 1
169 1 13 TYR CA 1 14 LEU CD2 . . 8.500 6.757 5.626 7.184 . 0 0 "[ . 1]" 1
170 1 13 TYR CA 1 14 LEU CG . . 8.500 5.785 4.536 6.156 . 0 0 "[ . 1]" 1
171 1 13 TYR CA 1 15 ASP CA . . 8.500 6.763 6.604 6.949 . 0 0 "[ . 1]" 1
172 1 13 TYR CA 2 17 ARG CA . . 8.500 17.337 16.733 17.989 9.489 9 10 [***-****+*] 1
173 1 13 TYR CA 2 18 ARG CA . . 6.000 21.067 20.376 21.745 15.745 9 10 [***-****+*] 1
174 1 13 TYR CA 2 19 ALA CA . . 8.500 23.267 22.470 24.016 15.516 3 10 [**+-******] 1
175 1 13 TYR CA 2 19 ALA CB . . 8.500 22.742 21.872 23.578 15.078 3 10 [**+-******] 1
176 1 13 TYR CB 1 14 LEU CB . . 8.500 5.738 5.617 5.820 . 0 0 "[ . 1]" 1
177 1 13 TYR CB 2 18 ARG CB . . 8.500 20.969 20.341 21.648 13.148 9 10 [***-****+*] 1
178 1 13 TYR CD1 1 15 ASP CA . . 8.500 6.698 4.918 8.651 0.151 4 0 "[ . 1]" 1
179 1 13 TYR CD1 2 18 ARG CB . . 8.500 20.298 18.197 21.686 13.186 6 10 [*****+-***] 1
180 1 13 TYR CE1 2 18 ARG CB . . 8.500 19.940 17.133 22.434 13.934 6 10 [*****+-***] 1
181 1 13 TYR CZ 2 17 ARG C . . 8.500 16.613 13.351 20.730 12.230 6 10 [*****+*-**] 1
182 1 13 TYR CZ 2 18 ARG CB . . 8.500 19.708 16.608 23.570 15.070 6 10 [*****+*-**] 1
183 1 13 TYR CZ 2 18 ARG CD . . 8.500 21.668 18.947 25.469 16.969 6 10 [*****+*-**] 1
184 1 13 TYR CZ 2 18 ARG CG . . 8.500 20.925 17.928 25.029 16.529 6 10 [*****+*-**] 1
185 1 13 TYR CZ 2 18 ARG CZ . . 8.500 21.271 18.738 24.817 16.317 6 10 [*****+-***] 1
186 1 14 LEU CA 1 15 ASP CA . . 8.500 3.803 3.802 3.804 . 0 0 "[ . 1]" 1
187 1 14 LEU CA 1 16 SER CB . . 8.000 6.821 6.674 7.063 . 0 0 "[ . 1]" 1
188 1 14 LEU CB 1 16 SER CB . . 8.500 6.657 6.547 6.858 . 0 0 "[ . 1]" 1
189 1 14 LEU CB 2 16 SER C . . 8.500 16.370 15.698 17.130 8.630 9 10 [***-****+*] 1
190 1 14 LEU CD1 1 15 ASP CA . . 8.500 5.884 4.190 6.978 . 0 0 "[ . 1]" 1
191 1 14 LEU CD1 2 17 ARG CD . . 8.000 15.710 13.214 18.150 10.150 3 10 [-*+*******] 1
192 1 14 LEU CD2 1 15 ASP CA . . 8.500 5.232 4.117 6.966 . 0 0 "[ . 1]" 1
193 1 14 LEU CD2 2 17 ARG CB . . 8.000 16.011 14.802 18.541 10.541 9 10 [******-*+*] 1
194 1 15 ASP CA 1 17 ARG CD . . 8.000 7.983 7.750 8.078 0.078 3 0 "[ . 1]" 1
195 1 15 ASP CA 2 16 SER CA . . 6.000 11.931 11.167 12.513 6.513 9 10 [***-****+*] 1
196 1 15 ASP CA 2 16 SER CB . . 6.000 13.362 12.634 13.899 7.899 9 10 [***-****+*] 1
197 1 15 ASP CA 2 18 ARG CD . . 8.500 19.095 18.409 19.783 11.283 9 10 [***-****+*] 1
198 1 16 SER C 1 17 ARG C . . 8.500 3.577 3.519 3.645 . 0 0 "[ . 1]" 1
199 1 16 SER C 2 14 LEU CB . . 8.500 15.829 15.107 16.411 7.911 8 10 [*****-*+**] 1
200 1 16 SER CA 1 17 ARG C . . 8.500 4.765 4.727 4.811 . 0 0 "[ . 1]" 1
201 1 16 SER CA 1 17 ARG CA . . 8.500 3.803 3.802 3.804 . 0 0 "[ . 1]" 1
202 1 16 SER CA 1 17 ARG CB . . 8.500 4.626 4.559 4.677 . 0 0 "[ . 1]" 1
203 1 16 SER CA 1 17 ARG CD . . 8.000 6.199 5.918 6.342 . 0 0 "[ . 1]" 1
204 1 16 SER CA 1 18 ARG CZ . . 8.500 8.361 8.106 8.514 0.014 3 0 "[ . 1]" 1
205 1 16 SER CA 2 15 ASP CA . . 6.000 11.555 11.018 12.110 6.110 8 10 [*****-*+**] 1
206 1 16 SER CB 1 17 ARG C . . 8.500 5.309 5.224 5.407 . 0 0 "[ . 1]" 1
207 1 16 SER CB 1 18 ARG CB . . 8.500 6.955 6.801 7.157 . 0 0 "[ . 1]" 1
208 1 16 SER CB 1 18 ARG CG . . 8.500 8.052 7.502 8.428 . 0 0 "[ . 1]" 1
209 1 16 SER CB 2 15 ASP CA . . 6.000 13.030 12.504 13.564 7.564 7 10 [*****-+***] 1
210 1 17 ARG C 2 13 TYR CZ . . 8.500 15.351 11.910 20.129 11.629 4 10 [***+****-*] 1
211 1 17 ARG C 2 15 ASP CA . . 8.500 12.734 12.250 13.292 4.792 4 10 [***+****-*] 1
212 1 17 ARG CA 2 13 TYR CA . . 8.500 16.324 15.438 17.086 8.586 4 10 [***+****-*] 1
213 1 17 ARG CB 1 19 ALA CA . . 8.500 6.875 6.759 7.080 . 0 0 "[ . 1]" 1
214 1 17 ARG CB 2 12 LYS CD . . 8.500 19.702 18.799 20.605 12.105 6 10 [****-+****] 1
215 1 17 ARG CB 2 12 LYS CG . . 8.500 19.810 18.186 20.976 12.476 7 10 [******+*-*] 1
216 1 17 ARG CB 2 14 LEU CD2 . . 8.000 15.420 14.514 16.771 8.771 9 10 [*-******+*] 1
217 1 17 ARG CD 1 19 ALA CA . . 8.500 7.384 6.916 7.717 . 0 0 "[ . 1]" 1
218 1 17 ARG CD 1 19 ALA CB . . 8.500 6.809 6.550 7.088 . 0 0 "[ . 1]" 1
219 1 17 ARG CD 2 12 LYS CB . . 8.500 19.300 18.512 20.137 11.637 8 10 [*******+-*] 1
220 1 17 ARG CD 2 14 LEU CD1 . . 8.500 14.830 12.642 16.027 7.527 3 10 [-*+*******] 1
221 1 17 ARG CG 1 19 ALA CA . . 8.500 7.415 7.113 7.739 . 0 0 "[ . 1]" 1
222 1 17 ARG CG 2 12 LYS CB . . 8.500 19.446 18.308 20.356 11.856 4 10 [***+****-*] 1
223 1 17 ARG CG 2 12 LYS CD . . 8.500 19.121 18.453 20.302 11.802 6 10 [-****+****] 1
224 1 17 ARG CZ 1 19 ALA CB . . 8.500 4.962 4.299 5.518 . 0 0 "[ . 1]" 1
225 1 17 ARG CZ 2 11 SER C . . 8.500 22.465 21.782 23.501 15.001 8 10 [*******+-*] 1
226 1 17 ARG CZ 2 12 LYS CB . . 8.500 21.254 20.456 22.260 13.760 8 10 [*******+-*] 1
227 1 17 ARG CZ 2 12 LYS CD . . 8.500 20.615 19.712 21.814 13.314 8 10 [-******+**] 1
228 1 17 ARG CZ 2 12 LYS CE . . 8.500 20.717 18.691 22.320 13.820 8 10 [*-*****+**] 1
229 1 17 ARG CZ 2 12 LYS CG . . 8.500 20.946 19.557 22.522 14.022 8 10 [*******+-*] 1
230 1 18 ARG C 1 19 ALA CA . . 8.500 2.433 2.432 2.434 . 0 0 "[ . 1]" 1
231 1 18 ARG CA 1 19 ALA CA . . 8.000 3.803 3.803 3.805 . 0 0 "[ . 1]" 1
232 1 18 ARG CA 1 19 ALA CB . . 8.500 4.664 4.642 4.685 . 0 0 "[ . 1]" 1
233 1 18 ARG CA 2 13 TYR CA . . 6.000 19.997 19.110 20.751 14.751 4 10 [***+****-*] 1
234 1 18 ARG CB 2 13 TYR CB . . 8.500 19.946 19.022 20.716 12.216 4 10 [***+****-*] 1
235 1 18 ARG CB 2 13 TYR CD1 . . 8.500 19.192 17.646 21.786 13.286 4 10 [***+****-*] 1
236 1 18 ARG CB 2 13 TYR CE1 . . 8.500 18.775 16.500 22.601 14.101 4 10 [***+****-*] 1
237 1 18 ARG CB 2 13 TYR CZ . . 8.500 18.512 15.272 23.130 14.630 4 10 [***+****-*] 1
238 1 18 ARG CD 2 11 SER CB . . 8.500 27.983 27.195 28.841 20.341 8 10 [*******+-*] 1
239 1 18 ARG CD 2 13 TYR CZ . . 8.500 20.552 17.479 24.963 16.463 4 10 [***+****-*] 1
240 1 18 ARG CG 2 13 TYR CZ . . 8.500 19.731 16.302 24.488 15.988 4 10 [***+****-*] 1
241 1 18 ARG CZ 1 19 ALA C . . 8.500 8.250 7.765 8.501 0.001 10 0 "[ . 1]" 1
242 1 18 ARG CZ 2 13 TYR CZ . . 8.500 20.318 17.322 24.322 15.822 4 10 [***+****-*] 1
243 1 19 ALA C 2 11 SER CA . . 8.500 29.780 28.914 30.579 22.079 4 10 [***+****-*] 1
244 1 19 ALA C 2 12 LYS CD . . 8.500 27.256 26.381 28.209 19.709 6 10 [*-***+****] 1
245 1 19 ALA CA 1 20 GLN C . . 8.500 4.780 4.758 4.803 . 0 0 "[ . 1]" 1
246 1 19 ALA CA 1 20 GLN CA . . 8.000 3.803 3.803 3.804 . 0 0 "[ . 1]" 1
247 1 19 ALA CA 1 20 GLN CD . . 8.500 6.614 6.108 7.105 . 0 0 "[ . 1]" 1
248 1 19 ALA CA 1 20 GLN CG . . 8.500 5.674 4.732 6.082 . 0 0 "[ . 1]" 1
249 1 19 ALA CA 2 11 SER C . . 8.000 27.416 26.523 28.230 20.230 4 10 [***+****-*] 1
250 1 19 ALA CA 2 11 SER CA . . 8.500 28.409 27.538 29.217 20.717 4 10 [***+****-*] 1
251 1 19 ALA CA 2 12 LYS CA . . 6.000 25.715 24.730 26.574 20.574 4 10 [***+****-*] 1
252 1 19 ALA CA 2 12 LYS CD . . 8.500 25.884 24.984 26.858 18.358 6 10 [*-***+****] 1
253 1 19 ALA CA 2 12 LYS CE . . 8.500 26.047 23.636 27.296 18.796 4 10 [*-*+******] 1
254 1 19 ALA CA 2 13 TYR CA . . 8.500 21.994 21.063 22.825 14.325 4 10 [***+****-*] 1
255 1 19 ALA CB 1 20 GLN CD . . 8.500 7.829 7.292 8.324 . 0 0 "[ . 1]" 1
256 1 19 ALA CB 1 20 GLN CG . . 8.500 6.754 5.986 7.156 . 0 0 "[ . 1]" 1
257 1 19 ALA CB 2 11 SER CB . . 8.500 27.519 26.603 28.357 19.857 4 10 [***+****-*] 1
258 1 19 ALA CB 2 12 LYS CB . . 8.500 25.698 24.674 26.571 18.071 4 10 [***+****-*] 1
259 1 19 ALA CB 2 12 LYS CD . . 8.500 25.079 24.124 26.000 17.500 6 10 [*-***+****] 1
260 1 19 ALA CB 2 13 TYR CA . . 8.500 21.351 20.377 22.215 13.715 4 10 [***+****-*] 1
261 1 19 ALA CB 2 14 LEU CD1 . . 8.500 20.499 18.580 21.756 13.256 4 10 [-**+******] 1
262 1 20 GLN CA 1 22 PHE CA . . 8.000 6.730 6.568 6.898 . 0 0 "[ . 1]" 1
263 1 20 GLN CA 1 22 PHE CD1 . . 8.000 5.932 5.202 7.816 . 0 0 "[ . 1]" 1
264 1 20 GLN CA 1 22 PHE CE1 . . 8.000 6.161 5.006 8.024 0.024 4 0 "[ . 1]" 1
265 1 20 GLN CA 1 22 PHE CZ . . 8.000 7.028 6.072 7.318 . 0 0 "[ . 1]" 1
266 1 20 GLN CB 1 22 PHE CA . . 8.000 6.906 6.651 7.164 . 0 0 "[ . 1]" 1
267 1 20 GLN CB 1 22 PHE CB . . 8.000 6.736 6.461 7.030 . 0 0 "[ . 1]" 1
268 1 20 GLN CB 2 10 TYR CA . . 8.000 36.498 35.669 37.314 29.314 4 10 [***+****-*] 1
269 1 20 GLN CB 2 11 SER CA . . 8.500 32.791 31.978 33.574 25.074 4 10 [***+****-*] 1
270 1 20 GLN CD 1 22 PHE CA . . 8.000 7.424 6.724 7.973 . 0 0 "[ . 1]" 1
271 1 20 GLN CG 1 22 PHE CB . . 8.000 6.420 5.853 7.558 . 0 0 "[ . 1]" 1
272 1 20 GLN CG 1 22 PHE CE1 . . 8.000 4.754 3.671 6.934 . 0 0 "[ . 1]" 1
273 1 20 GLN CG 1 22 PHE CZ . . 8.000 5.538 4.950 6.792 . 0 0 "[ . 1]" 1
274 1 20 GLN CG 2 10 TYR C . . 8.000 36.048 34.513 36.843 28.843 7 10 [******+**-] 1
275 1 20 GLN CG 2 10 TYR CA . . 8.000 37.355 35.600 38.181 30.181 7 10 [******+**-] 1
276 1 20 GLN CG 2 11 SER C . . 8.000 32.716 31.176 33.513 25.513 7 10 [******+**-] 1
277 1 20 GLN CG 2 11 SER CA . . 8.500 33.631 32.140 34.416 25.916 7 10 [******+**-] 1
278 1 20 GLN CG 2 11 SER CB . . 8.500 33.072 31.448 33.866 25.366 7 10 [******+**-] 1
279 1 21 ASP CA 2 10 TYR CA . . 8.000 38.408 37.433 39.266 31.266 4 10 [***+****-*] 1
280 1 21 ASP CG 1 23 VAL CA . . 8.000 6.475 5.821 7.940 . 0 0 "[ . 1]" 1
281 1 21 ASP CG 1 23 VAL CB . . 8.000 6.038 5.288 7.537 . 0 0 "[ . 1]" 1
282 1 22 PHE CA 1 23 VAL CB . . 8.000 4.623 4.597 4.647 . 0 0 "[ . 1]" 1
283 1 22 PHE CB 1 23 VAL CA . . 8.000 4.665 4.566 4.710 . 0 0 "[ . 1]" 1
284 1 22 PHE CB 1 23 VAL CB . . 8.000 5.771 5.681 5.823 . 0 0 "[ . 1]" 1
285 1 22 PHE CE1 1 23 VAL CA . . 8.000 7.699 7.018 7.925 . 0 0 "[ . 1]" 1
286 1 22 PHE CE1 2 9 ASP CB . . 8.000 43.927 42.821 46.698 38.698 4 10 [***+****-*] 1
287 1 22 PHE CZ 1 23 VAL CA . . 8.000 8.010 7.986 8.043 0.043 4 0 "[ . 1]" 1
288 1 22 PHE CZ 2 9 ASP CB . . 8.000 44.578 43.528 45.511 37.511 4 10 [***+-*****] 1
289 1 23 VAL CA 1 24 GLN CA . . 8.000 3.803 3.802 3.803 . 0 0 "[ . 1]" 1
290 1 23 VAL CA 1 24 GLN CB . . 8.000 4.610 4.560 4.651 . 0 0 "[ . 1]" 1
291 1 23 VAL CA 2 8 SER CA . . 6.000 51.581 50.575 52.413 46.413 4 10 [***+****-*] 1
292 1 23 VAL CA 2 8 SER CB . . 6.000 51.862 50.887 52.686 46.686 4 10 [***+****-*] 1
293 1 23 VAL CA 2 9 ASP CA . . 8.000 47.923 46.907 48.758 40.758 8 10 [*******+-*] 1
294 1 23 VAL CB 2 8 SER CA . . 7.000 51.157 50.118 52.043 45.043 8 10 [*******+-*] 1
295 1 23 VAL CB 2 8 SER CB . . 7.000 51.397 50.389 52.230 45.230 8 10 [*******+-*] 1
296 1 23 VAL CG1 1 24 GLN CA . . 8.000 4.494 4.345 4.612 . 0 0 "[ . 1]" 1
297 1 23 VAL CG1 1 24 GLN CB . . 8.000 5.807 5.674 5.909 . 0 0 "[ . 1]" 1
298 1 23 VAL CG1 1 24 GLN CD . . 8.000 7.737 7.475 7.999 . 0 0 "[ . 1]" 1
299 1 23 VAL CG1 2 8 SER CA . . 8.000 52.217 51.123 53.022 45.022 4 10 [***+****-*] 1
300 1 23 VAL CG1 2 8 SER CB . . 7.000 52.429 51.364 53.225 46.225 4 10 [***+****-*] 1
301 1 23 VAL CG2 2 8 SER CA . . 7.000 49.802 48.721 50.626 43.626 4 10 [***+****-*] 1
302 1 23 VAL CG2 2 8 SER CB . . 7.000 50.033 48.984 50.848 43.848 4 10 [***+****-*] 1
303 1 24 GLN CB 1 25 TRP CG . . 9.500 6.635 5.842 7.107 . 0 0 "[ . 1]" 1
304 1 24 GLN CB 1 26 LEU CD2 . . 8.500 7.888 7.082 8.632 0.132 2 0 "[ . 1]" 1
305 1 24 GLN CD 1 25 TRP CB . . 8.500 5.668 5.337 6.195 . 0 0 "[ . 1]" 1
306 1 24 GLN CD 1 25 TRP CD1 . . 10.000 7.055 6.518 8.074 . 0 0 "[ . 1]" 1
307 1 24 GLN CD 1 25 TRP CG . . 10.000 6.592 6.334 7.274 . 0 0 "[ . 1]" 1
308 1 24 GLN CD 1 25 TRP CZ2 . . 10.000 9.498 8.962 10.050 0.050 10 0 "[ . 1]" 1
309 1 24 GLN CD 1 26 LEU CG . . 8.500 5.975 5.292 6.627 . 0 0 "[ . 1]" 1
310 1 24 GLN CG 1 25 TRP CD1 . . 10.000 6.869 5.776 7.861 . 0 0 "[ . 1]" 1
311 1 24 GLN CG 1 25 TRP CD2 . . 10.000 7.381 6.627 7.734 . 0 0 "[ . 1]" 1
312 1 24 GLN CG 1 25 TRP CE2 . . 10.000 8.226 7.184 8.827 . 0 0 "[ . 1]" 1
313 1 24 GLN CG 1 25 TRP CE3 . . 10.000 7.823 7.170 8.121 . 0 0 "[ . 1]" 1
314 1 24 GLN CG 1 25 TRP CG . . 10.000 6.456 5.915 6.963 . 0 0 "[ . 1]" 1
315 1 24 GLN CG 1 25 TRP CH2 . . 10.000 9.680 8.577 10.108 0.108 6 0 "[ . 1]" 1
316 1 24 GLN CG 1 25 TRP CZ3 . . 9.500 8.980 8.129 9.294 . 0 0 "[ . 1]" 1
317 1 24 GLN CG 1 26 LEU CD1 . . 8.500 7.703 7.025 8.071 . 0 0 "[ . 1]" 1
318 1 24 GLN CG 2 7 THR CB . . 8.000 59.800 58.904 60.708 52.708 8 10 [*******+-*] 1
319 1 25 TRP C 1 27 MET CB . . 9.000 6.104 5.957 6.275 . 0 0 "[ . 1]" 1
320 1 25 TRP CB 1 26 LEU CG . . 8.000 6.828 6.369 7.176 . 0 0 "[ . 1]" 1
321 1 25 TRP CB 2 4 GLY C . . 8.500 70.291 69.164 71.433 62.933 4 10 [***+****-*] 1
322 1 25 TRP CD1 1 26 LEU CG . . 10.000 7.277 5.772 8.739 . 0 0 "[ . 1]" 1
323 1 25 TRP CD1 1 27 MET CE . . 10.000 5.744 3.501 7.104 . 0 0 "[ . 1]" 1
324 1 25 TRP CD1 2 4 GLY CA . . 10.000 72.273 69.961 74.499 64.499 8 10 [-******+**] 1
325 1 25 TRP CD2 2 4 GLY CA . . 10.000 72.917 72.020 74.414 64.414 8 10 [-******+**] 1
326 1 25 TRP CE2 1 27 MET CE . . 10.000 4.723 3.902 5.760 . 0 0 "[ . 1]" 1
327 1 25 TRP CE2 2 4 GLY CA . . 10.000 73.375 71.125 75.567 65.567 8 10 [-******+**] 1
328 1 25 TRP CG 1 26 LEU CG . . 10.000 6.992 6.288 7.794 . 0 0 "[ . 1]" 1
329 1 25 TRP CG 1 27 MET CE . . 10.000 5.547 4.672 6.266 . 0 0 "[ . 1]" 1
330 1 25 TRP CG 2 4 GLY CA . . 10.000 72.215 71.267 73.737 63.737 8 10 [-******+**] 1
331 1 25 TRP CH2 1 26 LEU CD1 . . 10.000 8.909 8.074 10.020 0.020 1 0 "[ . 1]" 1
332 1 25 TRP CH2 1 27 MET CE . . 10.000 4.280 3.185 6.723 . 0 0 "[ . 1]" 1
333 1 25 TRP CH2 2 4 GLY CA . . 10.000 74.420 72.913 76.233 66.233 8 10 [-******+**] 1
334 1 25 TRP CZ2 1 27 MET CE . . 10.000 4.521 3.431 5.734 . 0 0 "[ . 1]" 1
335 1 25 TRP CZ2 2 4 GLY CA . . 10.000 74.128 71.570 76.475 66.475 8 10 [-******+**] 1
336 1 25 TRP CZ3 2 4 GLY CA . . 10.000 73.975 72.703 75.208 65.208 4 10 [***+****-*] 1
337 1 26 LEU C 1 27 MET CE . . 8.500 4.813 3.832 5.407 . 0 0 "[ . 1]" 1
338 1 26 LEU C 2 5 THR C . . 8.500 71.824 70.772 72.878 64.378 4 10 [***+****-*] 1
339 1 26 LEU C 2 5 THR CA . . 8.500 72.961 71.913 73.969 65.469 4 10 [***+****-*] 1
340 1 26 LEU C 2 5 THR CG2 . . 9.000 73.930 72.945 74.909 65.909 4 10 [***+****-*] 1
341 1 26 LEU CA 1 28 ASN CA . . 8.500 6.920 6.831 7.072 . 0 0 "[ . 1]" 1
342 1 26 LEU CA 1 28 ASN CB . . 8.500 6.933 6.818 7.101 . 0 0 "[ . 1]" 1
343 1 26 LEU CA 1 28 ASN CG . . 8.000 7.506 6.726 7.927 . 0 0 "[ . 1]" 1
344 1 26 LEU CA 2 4 GLY CA . . 8.000 75.450 74.412 76.444 68.444 4 10 [***+****-*] 1
345 1 26 LEU CA 2 5 THR C . . 8.500 70.730 69.698 71.714 63.214 4 10 [***+****-*] 1
346 1 26 LEU CA 2 5 THR CA . . 6.000 71.852 70.824 72.790 66.790 4 10 [***+****-*] 1
347 1 26 LEU CA 2 5 THR CB . . 8.500 71.583 70.561 72.641 64.141 8 10 [*******+-*] 1
348 1 26 LEU CA 2 5 THR CG2 . . 8.500 72.791 71.823 73.704 65.204 4 10 [***+****-*] 1
349 1 26 LEU CB 1 27 MET CE . . 8.500 6.239 5.335 6.732 . 0 0 "[ . 1]" 1
350 1 26 LEU CB 1 28 ASN CA . . 8.500 7.028 6.809 7.274 . 0 0 "[ . 1]" 1
351 1 26 LEU CB 2 3 GLN CB . . 8.000 78.908 77.936 79.723 71.723 8 10 [*******+-*] 1
352 1 26 LEU CB 2 4 GLY C . . 8.500 74.474 73.483 75.348 66.848 4 10 [***+****-*] 1
353 1 26 LEU CB 2 5 THR CA . . 8.500 72.154 71.173 73.007 64.507 8 10 [*******+-*] 1
354 1 26 LEU CB 2 5 THR CB . . 8.500 71.855 70.881 72.864 64.364 8 10 [*******+-*] 1
355 1 26 LEU CB 2 5 THR CG2 . . 8.500 73.051 72.133 73.863 65.363 4 10 [***+****-*] 1
356 1 26 LEU CD1 1 27 MET CB . . 8.500 5.582 5.302 6.169 . 0 0 "[ . 1]" 1
357 1 26 LEU CD1 1 27 MET CG . . 8.000 5.977 5.504 6.825 . 0 0 "[ . 1]" 1
358 1 26 LEU CD1 1 28 ASN CA . . 8.500 5.536 5.129 6.121 . 0 0 "[ . 1]" 1
359 1 26 LEU CD1 2 3 GLN CB . . 8.000 80.957 79.962 81.936 73.936 4 10 [**-+******] 1
360 1 26 LEU CD1 2 3 GLN CG . . 8.000 80.291 79.735 80.786 72.786 4 10 [***+****-*] 1
361 1 26 LEU CD1 2 5 THR C . . 8.500 73.107 72.156 74.194 65.694 4 10 [***+****-*] 1
362 1 26 LEU CD1 2 5 THR CA . . 8.500 74.214 73.264 75.243 66.743 4 10 [***+*-****] 1
363 1 26 LEU CD1 2 5 THR CB . . 8.500 73.908 72.923 74.877 66.377 4 10 [***+*-****] 1
364 1 26 LEU CD1 2 5 THR CG2 . . 8.500 75.096 74.153 76.100 67.600 4 10 [***+*-****] 1
365 1 26 LEU CD2 1 27 MET CB . . 9.000 7.336 7.104 7.605 . 0 0 "[ . 1]" 1
366 1 26 LEU CD2 1 27 MET CE . . 8.500 8.360 7.760 8.526 0.026 4 0 "[ . 1]" 1
367 1 26 LEU CD2 1 27 MET CG . . 8.500 7.820 7.573 8.384 . 0 0 "[ . 1]" 1
368 1 26 LEU CD2 1 28 ASN CA . . 8.000 7.366 6.586 8.010 0.010 10 0 "[ . 1]" 1
369 1 26 LEU CD2 1 28 ASN CG . . 8.500 6.754 5.487 8.062 . 0 0 "[ . 1]" 1
370 1 26 LEU CD2 2 3 GLN CB . . 9.000 79.737 78.059 81.226 72.226 8 10 [*******+-*] 1
371 1 26 LEU CD2 2 5 THR C . . 8.500 71.916 70.173 73.499 64.999 4 10 [***+****-*] 1
372 1 26 LEU CG 1 27 MET CB . . 8.500 5.857 5.650 6.100 . 0 0 "[ . 1]" 1
373 1 26 LEU CG 1 27 MET CE . . 8.500 6.967 6.384 7.232 . 0 0 "[ . 1]" 1
374 1 26 LEU CG 1 28 ASN CA . . 8.500 6.358 5.816 6.849 . 0 0 "[ . 1]" 1
375 1 26 LEU CG 1 28 ASN CG . . 8.500 6.167 5.177 7.196 . 0 0 "[ . 1]" 1
376 1 26 LEU CG 2 3 GLN C . . 9.000 78.982 77.632 80.303 71.303 4 10 [***+****-*] 1
377 1 26 LEU CG 2 3 GLN CB . . 9.000 79.938 78.547 81.142 72.142 4 10 [***+****-*] 1
378 1 26 LEU CG 2 3 GLN CG . . 8.000 79.269 78.216 80.006 72.006 4 10 [***+****-*] 1
379 1 26 LEU CG 2 4 GLY C . . 8.000 75.515 74.081 76.808 68.808 4 10 [***+****-*] 1
380 1 26 LEU CG 2 5 THR C . . 8.500 72.076 70.637 73.393 64.893 4 10 [***+****-*] 1
381 1 26 LEU CG 2 5 THR CA . . 8.500 73.190 71.771 74.452 65.952 4 10 [***+****-*] 1
382 1 26 LEU CG 2 5 THR CG2 . . 8.500 74.078 72.741 75.305 66.805 4 10 [***+****-*] 1
383 1 27 MET C 2 5 THR CG2 . . 8.000 77.342 76.391 78.242 70.242 4 10 [***+****-*] 1
384 1 27 MET CA 1 28 ASN CB . . 8.000 4.515 4.460 4.610 . 0 0 "[ . 1]" 1
385 1 27 MET CA 2 4 GLY CA . . 6.000 78.616 77.584 79.643 73.643 4 10 [***+****-*] 1
386 1 27 MET CA 2 5 THR CA . . 8.500 75.047 74.024 76.014 67.514 4 10 [***+****-*] 1
387 1 27 MET CA 2 5 THR CB . . 8.500 74.820 73.803 75.866 67.366 8 10 [*******+-*] 1
388 1 27 MET CA 2 5 THR CG2 . . 8.500 76.047 75.083 76.990 68.490 4 10 [***+****-*] 1
389 1 27 MET CB 2 4 GLY C . . 8.500 77.192 76.175 78.278 69.778 4 10 [***+****-*] 1
390 1 27 MET CB 2 4 GLY CA . . 8.500 78.477 77.468 79.585 71.085 4 10 [***+****-*] 1
391 1 27 MET CB 2 5 THR C . . 8.000 73.775 72.775 74.863 66.863 4 10 [***+****-*] 1
392 1 27 MET CE 2 3 GLN CG . . 8.500 79.326 78.573 80.223 71.723 2 10 [*+******-*] 1
393 1 27 MET CE 2 4 GLY C . . 8.000 75.393 74.096 76.707 68.707 4 10 [**-+******] 1
394 1 27 MET CE 2 5 THR C . . 8.000 72.015 70.756 73.338 65.338 4 10 [**-+******] 1
395 1 27 MET CE 2 5 THR CA . . 8.500 73.129 71.888 74.415 65.915 4 10 [**-+******] 1
396 1 27 MET CE 2 5 THR CB . . 8.500 72.926 71.771 74.161 65.661 4 10 [**-+******] 1
397 1 27 MET CE 2 5 THR CG2 . . 8.500 74.141 73.039 75.430 66.930 4 10 [***+****-*] 1
398 1 27 MET CE 2 6 PHE CA . . 8.500 70.072 68.836 71.285 62.785 4 10 [**-+******] 1
399 1 27 MET CG 1 28 ASN CA . . 9.000 5.211 4.756 6.076 . 0 0 "[ . 1]" 1
400 1 27 MET CG 2 5 THR CA . . 8.500 74.719 73.578 76.311 67.811 4 10 [***+*****-] 1
401 1 27 MET CG 2 5 THR CB . . 8.500 74.522 73.342 76.096 67.596 8 10 [*******+*-] 1
402 1 27 MET CG 2 5 THR CG2 . . 8.500 75.751 74.648 77.327 68.827 4 10 [***+*****-] 1
403 1 28 ASN C 2 2 SER CB . . 8.500 90.590 89.537 91.617 83.117 4 10 [**-+******] 1
404 1 28 ASN CA 2 2 SER CA . . 8.500 89.314 88.270 90.262 81.762 4 10 [**-+******] 1
405 1 28 ASN CA 2 2 SER CB . . 8.500 89.515 88.475 90.477 81.977 4 10 [**-+******] 1
406 1 28 ASN CA 2 3 GLN CA . . 6.000 85.661 84.612 86.558 80.558 4 10 [**-+******] 1
407 1 28 ASN CA 2 3 GLN CD . . 8.500 84.067 82.993 86.009 77.509 6 10 [*****+**-*] 1
408 1 28 ASN CA 2 3 GLN CG . . 8.500 84.846 84.222 85.215 76.715 4 10 [***+****-*] 1
409 1 28 ASN CA 2 3 GLN N . . 6.000 86.915 85.870 87.855 81.855 4 10 [**-+******] 1
410 1 28 ASN CG 2 2 SER CA . . 8.500 89.768 89.259 90.491 81.991 4 10 [**-+******] 1
411 1 28 ASN CG 2 3 GLN C . . 8.500 84.943 84.413 85.666 77.166 4 10 [**-+******] 1
412 1 28 ASN CG 2 3 GLN CB . . 8.000 85.924 85.444 86.545 78.545 4 10 [***+****-*] 1
413 1 28 ASN N 2 3 GLN CG . . 6.000 83.553 82.915 83.963 77.963 4 10 [***+****-*] 1
414 1 29 THR C 2 1 HIS C . . 7.000 96.091 94.769 97.189 90.189 4 10 [**-+******] 1
415 1 29 THR C 2 1 HIS CA . . 7.000 97.285 95.967 98.339 91.339 4 10 [**-+******] 1
416 1 29 THR C 2 1 HIS CB . . 7.000 98.551 97.245 99.638 92.638 4 10 [**-+******] 1
417 1 29 THR C 2 1 HIS CD2 . . 7.000 98.734 96.896 99.945 92.945 4 10 [***+****-*] 1
418 1 29 THR CA 2 1 HIS C . . 7.000 94.988 93.704 96.005 89.005 4 10 [***+****-*] 1
419 1 29 THR CA 2 1 HIS CA . . 7.000 96.187 94.883 97.162 90.162 4 10 [***+****-*] 1
420 1 29 THR CA 2 1 HIS CB . . 7.000 97.452 96.170 98.459 91.459 4 10 [***+****-*] 1
421 1 29 THR CA 2 1 HIS CG . . 7.000 97.666 96.066 98.739 91.739 4 10 [***+****-*] 1
422 1 29 THR CB 2 1 HIS C . . 7.000 95.399 93.475 96.972 89.972 8 10 [*******+-*] 1
423 1 29 THR CB 2 1 HIS CA . . 7.000 96.599 94.661 98.190 91.190 8 10 [*******+-*] 1
424 1 29 THR CB 2 1 HIS CB . . 7.000 97.867 95.938 99.471 92.471 8 10 [*******+-*] 1
425 1 29 THR CB 2 1 HIS CE1 . . 7.000 98.528 96.007 99.818 92.818 8 10 [*******+-*] 1
426 1 29 THR CG2 2 1 HIS C . . 7.000 95.690 92.973 97.681 90.681 4 10 [***+****-*] 1
427 1 29 THR CG2 2 1 HIS CD2 . . 7.000 98.302 94.825 100.378 93.378 4 10 [***+****-*] 1
428 1 29 THR CG2 2 1 HIS CG . . 7.000 98.354 95.297 100.398 93.398 4 10 [***+****-*] 1
429 2 2 SER CA 2 3 GLN C . . 8.500 4.844 4.830 4.851 . 0 0 "[ . 1]" 1
430 2 2 SER CA 2 3 GLN CA . . 8.500 3.803 3.802 3.804 . 0 0 "[ . 1]" 1
431 2 2 SER CA 2 3 GLN CD . . 8.500 6.456 4.765 7.021 . 0 0 "[ . 1]" 1
432 2 2 SER CA 2 3 GLN CG . . 8.500 5.366 4.490 5.967 . 0 0 "[ . 1]" 1
433 2 2 SER CA 2 4 GLY C . . 8.500 8.413 8.270 8.505 0.005 9 0 "[ . 1]" 1
434 2 2 SER CB 2 3 GLN CA . . 8.500 4.457 4.406 4.492 . 0 0 "[ . 1]" 1
435 2 2 SER CB 2 3 GLN CD . . 8.500 7.521 6.091 8.039 . 0 0 "[ . 1]" 1
436 2 2 SER CB 2 3 GLN CG . . 8.500 6.400 5.729 6.873 . 0 0 "[ . 1]" 1
437 2 3 GLN CA 2 5 THR CA . . 8.500 6.988 6.814 7.143 . 0 0 "[ . 1]" 1
438 2 3 GLN CB 2 4 GLY C . . 8.000 5.222 5.084 5.315 . 0 0 "[ . 1]" 1
439 2 3 GLN CB 2 5 THR CA . . 8.000 7.048 6.897 7.217 . 0 0 "[ . 1]" 1
440 2 3 GLN CD 2 4 GLY CA . . 8.500 4.908 4.103 6.186 . 0 0 "[ . 1]" 1
441 2 3 GLN CD 2 5 THR CA . . 8.500 6.299 5.258 8.496 . 0 0 "[ . 1]" 1
442 2 3 GLN CG 2 5 THR C . . 8.000 8.061 7.348 8.966 0.966 3 1 "[ + . 1]" 1
443 2 3 GLN CG 2 5 THR CA . . 8.500 6.675 5.907 7.682 . 0 0 "[ . 1]" 1
444 2 3 GLN CG 2 5 THR CB . . 8.500 6.540 5.628 7.466 . 0 0 "[ . 1]" 1
445 2 3 GLN CG 2 5 THR CG2 . . 8.500 5.278 4.793 6.204 . 0 0 "[ . 1]" 1
446 2 4 GLY C 2 5 THR CA . . 8.500 2.434 2.433 2.435 . 0 0 "[ . 1]" 1
447 2 4 GLY C 2 5 THR CB . . 8.500 3.458 3.407 3.486 . 0 0 "[ . 1]" 1
448 2 4 GLY CA 2 5 THR C . . 8.500 4.734 4.720 4.761 . 0 0 "[ . 1]" 1
449 2 4 GLY CA 2 5 THR CA . . 6.000 3.796 3.796 3.797 . 0 0 "[ . 1]" 1
450 2 4 GLY CA 2 5 THR CB . . 8.500 4.688 4.655 4.707 . 0 0 "[ . 1]" 1
451 2 4 GLY CA 2 5 THR CG2 . . 8.500 4.421 4.280 4.926 . 0 0 "[ . 1]" 1
452 2 5 THR CA 2 6 PHE CA . . 8.000 3.803 3.803 3.804 . 0 0 "[ . 1]" 1
453 2 5 THR CA 2 6 PHE CB . . 8.500 4.634 4.582 4.668 . 0 0 "[ . 1]" 1
454 2 5 THR CA 2 6 PHE CD1 . . 8.000 5.754 3.885 7.105 . 0 0 "[ . 1]" 1
455 2 5 THR CA 2 6 PHE CG . . 8.500 5.319 4.122 6.106 . 0 0 "[ . 1]" 1
456 2 5 THR CA 2 7 THR CB . . 8.000 6.924 6.815 7.102 . 0 0 "[ . 1]" 1
457 2 5 THR CB 2 6 PHE C . . 8.000 5.358 5.260 5.514 . 0 0 "[ . 1]" 1
458 2 5 THR CB 2 6 PHE CA . . 8.000 4.672 4.579 4.735 . 0 0 "[ . 1]" 1
459 2 5 THR CB 2 6 PHE CB . . 8.500 5.790 5.686 5.859 . 0 0 "[ . 1]" 1
460 2 5 THR CB 2 6 PHE CD1 . . 8.500 6.962 5.387 8.279 . 0 0 "[ . 1]" 1
461 2 5 THR CG2 2 6 PHE C . . 8.500 6.770 6.483 6.842 . 0 0 "[ . 1]" 1
462 2 5 THR CG2 2 6 PHE CA . . 8.000 6.081 5.897 6.139 . 0 0 "[ . 1]" 1
463 2 5 THR CG2 2 6 PHE CB . . 8.500 7.094 6.951 7.155 . 0 0 "[ . 1]" 1
464 2 5 THR CG2 2 6 PHE CD1 . . 8.000 8.162 6.317 9.569 1.569 5 5 "[ ** + - *]" 1
465 2 6 PHE C 2 7 THR CB . . 8.000 3.483 3.405 3.536 . 0 0 "[ . 1]" 1
466 2 6 PHE C 2 7 THR CG2 . . 8.000 4.495 3.934 4.735 . 0 0 "[ . 1]" 1
467 2 6 PHE CA 2 7 THR CA . . 8.000 3.804 3.803 3.805 . 0 0 "[ . 1]" 1
468 2 6 PHE CE1 2 7 THR CA . . 8.000 6.584 4.727 8.104 0.104 4 0 "[ . 1]" 1
469 2 7 THR C 2 9 ASP CB . . 8.000 6.080 5.948 6.157 . 0 0 "[ . 1]" 1
470 2 7 THR CA 2 9 ASP CA . . 8.000 6.919 6.841 6.977 . 0 0 "[ . 1]" 1
471 2 8 SER C 2 10 TYR C . . 8.000 6.844 6.798 6.937 . 0 0 "[ . 1]" 1
472 2 8 SER CA 2 9 ASP CB . . 8.000 4.604 4.568 4.625 . 0 0 "[ . 1]" 1
473 2 11 SER C 2 12 LYS C . . 8.500 3.606 3.552 3.646 . 0 0 "[ . 1]" 1
474 2 11 SER C 2 12 LYS CB . . 8.500 3.329 3.260 3.409 . 0 0 "[ . 1]" 1
475 2 11 SER C 2 12 LYS CD . . 8.500 5.585 5.130 5.801 . 0 0 "[ . 1]" 1
476 2 11 SER CA 2 13 TYR CA . . 8.500 6.942 6.843 7.068 . 0 0 "[ . 1]" 1
477 2 11 SER CB 2 12 LYS CA . . 8.500 4.605 4.529 4.673 . 0 0 "[ . 1]" 1
478 2 11 SER CB 2 12 LYS CB . . 8.500 5.706 5.641 5.782 . 0 0 "[ . 1]" 1
479 2 11 SER CB 2 12 LYS CD . . 8.500 7.797 7.439 8.240 . 0 0 "[ . 1]" 1
480 2 11 SER CB 2 12 LYS CG . . 8.500 6.654 6.047 7.119 . 0 0 "[ . 1]" 1
481 2 11 SER CB 2 13 TYR CA . . 8.500 7.111 6.940 7.235 . 0 0 "[ . 1]" 1
482 2 12 LYS CA 2 13 TYR CA . . 8.000 3.803 3.803 3.804 . 0 0 "[ . 1]" 1
483 2 12 LYS CB 2 13 TYR CA . . 8.000 4.603 4.525 4.668 . 0 0 "[ . 1]" 1
484 2 12 LYS CB 2 13 TYR CB . . 8.500 5.733 5.638 5.811 . 0 0 "[ . 1]" 1
485 2 12 LYS CB 2 14 LEU CG . . 8.500 7.700 5.705 8.275 . 0 0 "[ . 1]" 1
486 2 12 LYS CD 2 13 TYR CA . . 8.000 4.960 4.209 5.901 . 0 0 "[ . 1]" 1
487 2 12 LYS CE 2 13 TYR CA . . 6.000 5.386 3.453 6.010 0.010 7 0 "[ . 1]" 1
488 2 12 LYS CE 2 14 LEU CB . . 8.500 5.540 3.697 6.170 . 0 0 "[ . 1]" 1
489 2 13 TYR CA 2 14 LEU CD2 . . 8.500 6.751 5.612 7.179 . 0 0 "[ . 1]" 1
490 2 13 TYR CA 2 14 LEU CG . . 8.000 5.780 4.528 6.155 . 0 0 "[ . 1]" 1
491 2 13 TYR CA 2 15 ASP CA . . 8.500 6.750 6.577 6.949 . 0 0 "[ . 1]" 1
492 2 13 TYR CB 2 14 LEU CB . . 8.500 5.745 5.635 5.828 . 0 0 "[ . 1]" 1
493 2 13 TYR CD1 2 15 ASP CA . . 8.500 6.613 4.954 8.583 0.083 6 0 "[ . 1]" 1
494 2 14 LEU CA 2 15 ASP CA . . 8.500 3.804 3.803 3.805 . 0 0 "[ . 1]" 1
495 2 14 LEU CA 2 16 SER CB . . 8.000 6.852 6.702 7.066 . 0 0 "[ . 1]" 1
496 2 14 LEU CB 2 16 SER CB . . 8.500 6.730 6.677 6.885 . 0 0 "[ . 1]" 1
497 2 14 LEU CD1 2 15 ASP CA . . 8.500 5.913 4.276 6.988 . 0 0 "[ . 1]" 1
498 2 14 LEU CD2 2 15 ASP CA . . 8.500 5.261 4.176 6.992 . 0 0 "[ . 1]" 1
499 2 15 ASP CA 2 16 SER C . . 8.500 4.758 4.724 4.781 . 0 0 "[ . 1]" 1
500 2 15 ASP CA 2 17 ARG CD . . 8.000 7.964 7.641 8.079 0.079 3 0 "[ . 1]" 1
501 2 16 SER CA 2 17 ARG C . . 8.500 4.761 4.721 4.811 . 0 0 "[ . 1]" 1
502 2 16 SER CA 2 17 ARG CA . . 8.500 3.803 3.802 3.804 . 0 0 "[ . 1]" 1
503 2 16 SER CA 2 17 ARG CB . . 8.000 4.632 4.558 4.683 . 0 0 "[ . 1]" 1
504 2 16 SER CA 2 17 ARG CD . . 8.500 6.190 5.922 6.341 . 0 0 "[ . 1]" 1
505 2 16 SER CA 2 18 ARG CZ . . 8.500 8.199 7.982 8.349 . 0 0 "[ . 1]" 1
506 2 16 SER CB 2 18 ARG CB . . 8.500 6.827 6.646 7.070 . 0 0 "[ . 1]" 1
507 2 16 SER CB 2 18 ARG CG . . 8.500 7.943 7.384 8.295 . 0 0 "[ . 1]" 1
508 2 17 ARG CB 2 19 ALA CA . . 8.500 6.980 6.862 7.148 . 0 0 "[ . 1]" 1
509 2 17 ARG CD 2 19 ALA CA . . 8.500 7.646 7.099 8.052 . 0 0 "[ . 1]" 1
510 2 17 ARG CG 2 19 ALA CA . . 8.500 7.619 7.313 7.866 . 0 0 "[ . 1]" 1
511 2 18 ARG CA 2 19 ALA CA . . 8.500 3.804 3.803 3.804 . 0 0 "[ . 1]" 1
512 2 19 ALA C 2 20 GLN CD . . 8.500 5.346 4.789 5.865 . 0 0 "[ . 1]" 1
513 2 19 ALA CA 2 20 GLN CA . . 8.500 3.803 3.802 3.804 . 0 0 "[ . 1]" 1
514 2 19 ALA CA 2 20 GLN CB . . 8.500 4.607 4.573 4.639 . 0 0 "[ . 1]" 1
515 2 19 ALA CA 2 20 GLN CD . . 8.500 6.611 6.106 7.097 . 0 0 "[ . 1]" 1
516 2 19 ALA CB 2 20 GLN CB . . 8.500 5.702 5.652 5.800 . 0 0 "[ . 1]" 1
517 2 19 ALA CB 2 20 GLN CD . . 8.500 7.827 7.290 8.316 . 0 0 "[ . 1]" 1
518 2 20 GLN CA 2 22 PHE CA . . 8.000 6.741 6.589 6.916 . 0 0 "[ . 1]" 1
519 2 20 GLN CA 2 22 PHE CD1 . . 8.000 5.935 5.137 7.808 . 0 0 "[ . 1]" 1
520 2 20 GLN CA 2 22 PHE CZ . . 8.000 6.995 5.861 7.336 . 0 0 "[ . 1]" 1
521 2 20 GLN CB 2 22 PHE CA . . 8.000 6.914 6.665 7.207 . 0 0 "[ . 1]" 1
522 2 20 GLN CB 2 22 PHE CD1 . . 8.000 5.464 4.798 7.349 . 0 0 "[ . 1]" 1
523 2 20 GLN CB 2 22 PHE CZ . . 8.000 6.262 5.206 6.551 . 0 0 "[ . 1]" 1
524 2 20 GLN CD 2 22 PHE CB . . 8.000 6.972 6.114 7.555 . 0 0 "[ . 1]" 1
525 2 21 ASP CG 2 23 VAL CA . . 8.000 6.429 5.725 7.874 . 0 0 "[ . 1]" 1
526 2 22 PHE CA 2 23 VAL CA . . 8.000 3.804 3.803 3.805 . 0 0 "[ . 1]" 1
527 2 22 PHE CA 2 23 VAL CB . . 8.000 4.617 4.585 4.637 . 0 0 "[ . 1]" 1
528 2 22 PHE CB 2 23 VAL CA . . 8.000 4.668 4.576 4.718 . 0 0 "[ . 1]" 1
529 2 22 PHE CE1 2 23 VAL CG1 . . 8.000 10.047 9.256 10.303 2.303 7 10 [****-*+***] 1
530 2 22 PHE CG 2 23 VAL CA . . 8.000 5.708 5.683 5.722 . 0 0 "[ . 1]" 1
531 2 22 PHE CZ 2 23 VAL CG1 . . 8.000 10.391 10.096 10.465 2.465 4 10 [***+***-**] 1
532 2 23 VAL CA 2 24 GLN CA . . 8.000 3.803 3.802 3.804 . 0 0 "[ . 1]" 1
533 2 23 VAL CA 2 24 GLN CB . . 8.000 4.617 4.588 4.651 . 0 0 "[ . 1]" 1
534 2 23 VAL CG1 2 24 GLN CA . . 8.000 4.482 4.371 4.560 . 0 0 "[ . 1]" 1
535 2 23 VAL CG1 2 24 GLN CB . . 8.000 5.800 5.652 5.878 . 0 0 "[ . 1]" 1
536 2 24 GLN CB 2 25 TRP CD1 . . 9.500 6.981 5.617 8.101 . 0 0 "[ . 1]" 1
537 2 24 GLN CB 2 25 TRP CG . . 9.500 6.623 5.838 7.101 . 0 0 "[ . 1]" 1
538 2 24 GLN CB 2 26 LEU CD1 . . 8.500 8.932 8.429 9.238 0.738 1 5 "[+* ** -1]" 1
539 2 24 GLN CD 2 25 TRP CB . . 8.500 5.634 5.325 6.139 . 0 0 "[ . 1]" 1
540 2 24 GLN CD 2 25 TRP CD1 . . 10.000 6.989 6.411 8.085 . 0 0 "[ . 1]" 1
541 2 24 GLN CG 2 25 TRP CD1 . . 10.000 6.802 5.740 7.806 . 0 0 "[ . 1]" 1
542 2 24 GLN CG 2 25 TRP CD2 . . 10.000 7.316 6.473 7.659 . 0 0 "[ . 1]" 1
543 2 24 GLN CG 2 25 TRP CE2 . . 10.000 8.142 7.006 8.807 . 0 0 "[ . 1]" 1
544 2 24 GLN CG 2 25 TRP CE3 . . 10.000 7.764 6.986 7.984 . 0 0 "[ . 1]" 1
545 2 24 GLN CG 2 25 TRP CG . . 10.000 6.404 5.835 6.936 . 0 0 "[ . 1]" 1
546 2 24 GLN CG 2 25 TRP CH2 . . 10.000 9.594 8.332 10.060 0.060 6 0 "[ . 1]" 1
547 2 24 GLN CG 2 25 TRP CZ3 . . 9.500 8.911 7.900 9.225 . 0 0 "[ . 1]" 1
548 2 24 GLN CG 2 26 LEU CB . . 8.500 5.640 5.533 5.740 . 0 0 "[ . 1]" 1
549 2 24 GLN CG 2 26 LEU CG . . 8.500 6.646 6.260 6.993 . 0 0 "[ . 1]" 1
550 2 25 TRP CB 2 26 LEU C . . 8.500 5.279 5.245 5.346 . 0 0 "[ . 1]" 1
551 2 25 TRP CB 2 26 LEU CA . . 8.500 4.631 4.597 4.655 . 0 0 "[ . 1]" 1
552 2 25 TRP CB 2 26 LEU CB . . 8.500 5.754 5.713 5.796 . 0 0 "[ . 1]" 1
553 2 25 TRP CB 2 26 LEU CD1 . . 8.500 7.655 7.436 7.876 . 0 0 "[ . 1]" 1
554 2 25 TRP CB 2 26 LEU CD2 . . 8.500 7.716 6.732 8.283 . 0 0 "[ . 1]" 1
555 2 25 TRP CB 2 26 LEU CG . . 8.500 6.848 6.465 7.181 . 0 0 "[ . 1]" 1
556 2 25 TRP CB 2 27 MET CE . . 8.500 6.289 5.399 6.878 . 0 0 "[ . 1]" 1
557 2 25 TRP CD1 2 26 LEU CD1 . . 10.000 7.861 6.552 9.938 . 0 0 "[ . 1]" 1
558 2 25 TRP CG 2 26 LEU CD1 . . 10.000 7.666 7.098 8.684 . 0 0 "[ . 1]" 1
559 2 26 LEU CA 2 28 ASN CA . . 8.500 6.918 6.831 7.075 . 0 0 "[ . 1]" 1
560 2 26 LEU CA 2 28 ASN CB . . 8.500 6.931 6.822 7.100 . 0 0 "[ . 1]" 1
561 2 26 LEU CA 2 28 ASN CG . . 8.000 7.496 6.678 7.917 . 0 0 "[ . 1]" 1
562 2 26 LEU CB 2 27 MET CB . . 9.000 5.713 5.616 5.806 . 0 0 "[ . 1]" 1
563 2 26 LEU CB 2 27 MET CE . . 8.500 6.224 5.286 6.746 . 0 0 "[ . 1]" 1
564 2 26 LEU CB 2 27 MET CG . . 8.500 6.070 5.606 6.414 . 0 0 "[ . 1]" 1
565 2 26 LEU CB 2 28 ASN CA . . 8.500 7.026 6.801 7.216 . 0 0 "[ . 1]" 1
566 2 26 LEU CB 2 28 ASN CB . . 9.000 6.706 6.572 6.889 . 0 0 "[ . 1]" 1
567 2 26 LEU CD1 2 27 MET CB . . 8.500 5.582 5.304 6.145 . 0 0 "[ . 1]" 1
568 2 26 LEU CD1 2 27 MET CE . . 8.500 6.640 6.011 7.594 . 0 0 "[ . 1]" 1
569 2 26 LEU CD1 2 27 MET CG . . 8.000 5.975 5.528 6.794 . 0 0 "[ . 1]" 1
570 2 26 LEU CD1 2 28 ASN CA . . 9.000 5.537 5.185 6.124 . 0 0 "[ . 1]" 1
571 2 26 LEU CD2 2 27 MET CB . . 9.000 7.330 7.122 7.581 . 0 0 "[ . 1]" 1
572 2 26 LEU CD2 2 27 MET CE . . 8.500 8.344 7.708 8.508 0.008 4 0 "[ . 1]" 1
573 2 26 LEU CD2 2 27 MET CG . . 8.500 7.816 7.555 8.374 . 0 0 "[ . 1]" 1
574 2 26 LEU CD2 2 28 ASN CA . . 9.000 7.357 6.636 8.045 . 0 0 "[ . 1]" 1
575 2 26 LEU CG 2 27 MET CB . . 8.500 5.851 5.667 6.091 . 0 0 "[ . 1]" 1
576 2 26 LEU CG 2 27 MET CE . . 8.500 6.949 6.330 7.225 . 0 0 "[ . 1]" 1
577 2 26 LEU CG 2 27 MET CG . . 8.500 6.337 6.044 6.876 . 0 0 "[ . 1]" 1
578 2 27 MET CB 2 28 ASN CG . . 8.500 6.422 6.038 6.789 . 0 0 "[ . 1]" 1
stop_
save_
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