NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
448159 |
2npl   |
7291 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2npl
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 462
_Distance_constraint_stats_list.Viol_count 69
_Distance_constraint_stats_list.Viol_total 9.512
_Distance_constraint_stats_list.Viol_max 0.619
_Distance_constraint_stats_list.Viol_rms 0.0693
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0206
_Distance_constraint_stats_list.Viol_average_violations_only 0.1379
_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 GLY 0.000 0.000 . 0 "[ ]"
1 2 SER 0.000 0.000 . 0 "[ ]"
1 3 SER 0.180 0.177 1 0 "[ ]"
1 4 GLY 0.076 0.073 1 0 "[ ]"
1 5 ALA 0.127 0.103 1 0 "[ ]"
1 6 ARG 0.103 0.103 1 0 "[ ]"
1 7 CYS 0.000 0.000 . 0 "[ ]"
1 8 TYR 0.191 0.191 1 0 "[ ]"
1 9 VAL 0.000 0.000 . 0 "[ ]"
1 10 ASP 0.000 0.000 . 0 "[ ]"
1 11 GLY 0.000 0.000 . 0 "[ ]"
1 12 SER 0.353 0.312 1 0 "[ ]"
1 13 GLU 0.553 0.516 1 1 [+]
1 14 GLU 0.282 0.245 1 0 "[ ]"
1 15 ILE 0.000 0.000 . 0 "[ ]"
1 16 GLY 0.184 0.184 1 0 "[ ]"
1 17 SER 0.000 0.000 . 0 "[ ]"
1 18 ASP 0.367 0.249 1 0 "[ ]"
1 19 PHE 1.356 0.433 1 0 "[ ]"
1 20 LYS 0.356 0.356 1 0 "[ ]"
1 21 ILE 0.189 0.129 1 0 "[ ]"
1 22 LYS 0.129 0.129 1 0 "[ ]"
1 23 CYS 0.010 0.010 1 0 "[ ]"
1 24 GLU 0.000 0.000 . 0 "[ ]"
1 25 PRO 0.192 0.192 1 0 "[ ]"
1 26 LYS 0.264 0.192 1 0 "[ ]"
1 27 GLU 0.000 0.000 . 0 "[ ]"
1 28 GLY 0.304 0.177 1 0 "[ ]"
1 29 SER 0.127 0.127 1 0 "[ ]"
1 30 LEU 0.000 0.000 . 0 "[ ]"
1 31 PRO 0.000 0.000 . 0 "[ ]"
1 32 LEU 0.075 0.075 1 0 "[ ]"
1 33 GLN 0.161 0.075 1 0 "[ ]"
1 34 TYR 0.000 0.000 . 0 "[ ]"
1 35 GLU 0.107 0.107 1 0 "[ ]"
1 36 TRP 0.128 0.128 1 0 "[ ]"
1 37 GLN 0.084 0.084 1 0 "[ ]"
1 38 LYS 0.000 0.000 . 0 "[ ]"
1 39 LEU 0.929 0.619 1 1 [+]
1 40 SER 0.310 0.189 1 0 "[ ]"
1 41 ASP 0.619 0.619 1 1 [+]
1 42 SER 0.471 0.361 1 0 "[ ]"
1 43 GLN 0.110 0.110 1 0 "[ ]"
1 44 LYS 0.525 0.361 1 0 "[ ]"
1 45 MET 0.286 0.164 1 0 "[ ]"
1 46 PRO 0.240 0.180 1 0 "[ ]"
1 47 THR 0.241 0.167 1 0 "[ ]"
1 48 SER 0.709 0.355 1 0 "[ ]"
1 49 TRP 0.341 0.180 1 0 "[ ]"
1 50 LEU 0.387 0.355 1 0 "[ ]"
1 51 ALA 0.091 0.042 1 0 "[ ]"
1 52 GLU 0.383 0.354 1 0 "[ ]"
1 53 MET 0.029 0.029 1 0 "[ ]"
1 54 THR 0.604 0.328 1 0 "[ ]"
1 55 SER 0.965 0.354 1 0 "[ ]"
1 56 SER 0.265 0.147 1 0 "[ ]"
1 57 VAL 0.517 0.229 1 0 "[ ]"
1 58 ILE 0.129 0.129 1 0 "[ ]"
1 59 SER 0.000 0.000 . 0 "[ ]"
1 60 VAL 0.382 0.255 1 0 "[ ]"
1 61 LYS 0.000 0.000 . 0 "[ ]"
1 62 ASN 0.083 0.083 1 0 "[ ]"
1 63 ALA 0.682 0.433 1 0 "[ ]"
1 64 SER 0.119 0.082 1 0 "[ ]"
1 65 SER 0.184 0.184 1 0 "[ ]"
1 66 GLU 0.082 0.082 1 0 "[ ]"
1 67 TYR 0.065 0.037 1 0 "[ ]"
1 68 SER 0.028 0.028 1 0 "[ ]"
1 69 GLY 0.125 0.125 1 0 "[ ]"
1 70 THR 0.000 0.000 . 0 "[ ]"
1 71 TYR 0.140 0.140 1 0 "[ ]"
1 72 SER 0.224 0.140 1 0 "[ ]"
1 73 CYS 0.039 0.029 1 0 "[ ]"
1 74 THR 0.035 0.035 1 0 "[ ]"
1 75 VAL 0.286 0.167 1 0 "[ ]"
1 76 ARG 0.354 0.167 1 0 "[ ]"
1 77 ASN 0.189 0.125 1 0 "[ ]"
1 78 ARG 0.041 0.041 1 0 "[ ]"
1 79 VAL 0.268 0.137 1 0 "[ ]"
1 80 GLY 0.137 0.137 1 0 "[ ]"
1 81 SER 0.021 0.021 1 0 "[ ]"
1 82 ASP 0.106 0.085 1 0 "[ ]"
1 83 GLN 0.024 0.024 1 0 "[ ]"
1 84 CYS 0.000 0.000 . 0 "[ ]"
1 85 LEU 0.029 0.029 1 0 "[ ]"
1 86 LEU 0.000 0.000 . 0 "[ ]"
1 87 ARG 0.191 0.191 1 0 "[ ]"
1 88 LEU 0.125 0.125 1 0 "[ ]"
1 89 ASN 0.312 0.312 1 0 "[ ]"
1 90 VAL 0.516 0.516 1 1 [+]
1 91 VAL 0.000 0.000 . 0 "[ ]"
1 92 PRO 0.000 0.000 . 0 "[ ]"
1 93 PRO 0.000 0.000 . 0 "[ ]"
1 94 SER 0.000 0.000 . 0 "[ ]"
1 95 ASN 0.000 0.000 . 0 "[ ]"
1 96 LYS 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 SER H 2.500 . 2.900 2.107 2.107 2.107 . 0 0 "[ ]" 1
2 1 2 SER HA 1 3 SER H 2.500 . 2.900 2.201 2.201 2.201 . 0 0 "[ ]" 1
3 1 3 SER HA 1 4 GLY H 2.500 . 2.900 2.139 2.139 2.139 . 0 0 "[ ]" 1
4 1 3 SER HA 1 28 GLY H 4.000 . 5.000 5.177 5.177 5.177 0.177 1 0 "[ ]" 1
5 1 3 SER QB 1 4 GLY H 3.000 . 3.500 3.504 3.504 3.504 0.004 1 0 "[ ]" 1
6 1 4 GLY H 1 26 LYS QB 4.000 . 5.000 3.754 3.754 3.754 . 0 0 "[ ]" 1
7 1 4 GLY H 1 26 LYS QG 4.000 . 5.000 5.073 5.073 5.073 0.073 1 0 "[ ]" 1
8 1 4 GLY H 1 27 GLU HA 3.000 . 3.500 3.025 3.025 3.025 . 0 0 "[ ]" 1
9 1 4 GLY H 1 27 GLU QB 4.000 . 5.000 4.005 4.005 4.005 . 0 0 "[ ]" 1
10 1 4 GLY QA 1 5 ALA H 2.500 . 2.900 2.817 2.817 2.817 . 0 0 "[ ]" 1
11 1 4 GLY QA 1 28 GLY H 4.000 . 6.000 4.121 4.121 4.121 . 0 0 "[ ]" 1
12 1 4 GLY QA 1 29 SER H 4.000 . 6.000 5.668 5.668 5.668 . 0 0 "[ ]" 1
13 1 5 ALA H 1 5 ALA HA 3.000 . 3.500 2.938 2.938 2.938 . 0 0 "[ ]" 1
14 1 5 ALA H 1 5 ALA MB 3.000 . 3.500 2.572 2.572 2.572 . 0 0 "[ ]" 1
15 1 5 ALA HA 1 6 ARG H 2.500 . 2.900 2.101 2.101 2.101 . 0 0 "[ ]" 1
16 1 5 ALA HA 1 25 PRO HA 3.000 . 3.500 2.269 2.269 2.269 . 0 0 "[ ]" 1
17 1 5 ALA HA 1 26 LYS H 3.000 . 3.500 3.378 3.378 3.378 . 0 0 "[ ]" 1
18 1 5 ALA MB 1 6 ARG H 2.500 . 2.900 3.003 3.003 3.003 0.103 1 0 "[ ]" 1
19 1 5 ALA MB 1 82 ASP H 4.000 . 5.500 5.060 5.060 5.060 . 0 0 "[ ]" 1
20 1 5 ALA MB 1 83 GLN H 4.000 . 5.500 5.524 5.524 5.524 0.024 1 0 "[ ]" 1
21 1 6 ARG H 1 6 ARG QB 3.000 . 3.500 2.520 2.520 2.520 . 0 0 "[ ]" 1
22 1 6 ARG H 1 24 GLU H 3.000 . 3.500 3.306 3.306 3.306 . 0 0 "[ ]" 1
23 1 6 ARG H 1 25 PRO HA 3.000 . 3.500 3.047 3.047 3.047 . 0 0 "[ ]" 1
24 1 6 ARG HA 1 7 CYS H 2.500 . 2.900 2.182 2.182 2.182 . 0 0 "[ ]" 1
25 1 6 ARG QB 1 7 CYS H 4.000 . 5.000 3.805 3.805 3.805 . 0 0 "[ ]" 1
26 1 7 CYS H 1 7 CYS HA 3.000 . 3.500 2.932 2.932 2.932 . 0 0 "[ ]" 1
27 1 7 CYS HA 1 8 TYR H 2.500 . 2.900 2.121 2.121 2.121 . 0 0 "[ ]" 1
28 1 7 CYS HA 1 23 CYS HA 3.000 . 3.300 2.703 2.703 2.703 . 0 0 "[ ]" 1
29 1 7 CYS HA 1 24 GLU H 4.000 . 5.000 4.074 4.074 4.074 . 0 0 "[ ]" 1
30 1 7 CYS QB 1 8 TYR H 4.000 . 5.000 3.140 3.140 3.140 . 0 0 "[ ]" 1
31 1 7 CYS QB 1 84 CYS QB 3.000 . 3.500 2.515 2.515 2.515 . 0 0 "[ ]" 1
32 1 8 TYR H 1 8 TYR HA 3.000 . 3.500 2.817 2.817 2.817 . 0 0 "[ ]" 1
33 1 8 TYR H 1 8 TYR QB 3.000 . 3.500 3.352 3.352 3.352 . 0 0 "[ ]" 1
34 1 8 TYR H 1 22 LYS H 4.000 . 5.000 3.685 3.685 3.685 . 0 0 "[ ]" 1
35 1 8 TYR H 1 23 CYS HA 4.000 . 5.000 3.922 3.922 3.922 . 0 0 "[ ]" 1
36 1 8 TYR H 1 87 ARG H 4.000 . 6.000 6.191 6.191 6.191 0.191 1 0 "[ ]" 1
37 1 8 TYR HA 1 9 VAL H 2.500 . 2.900 2.455 2.455 2.455 . 0 0 "[ ]" 1
38 1 8 TYR QB 1 9 VAL H 3.000 . 3.500 2.419 2.419 2.419 . 0 0 "[ ]" 1
39 1 9 VAL H 1 9 VAL HA 3.000 . 3.500 2.934 2.934 2.934 . 0 0 "[ ]" 1
40 1 9 VAL H 1 9 VAL HB 3.000 . 3.500 2.860 2.860 2.860 . 0 0 "[ ]" 1
41 1 9 VAL H 1 9 VAL QG 4.000 . 5.500 2.784 2.784 2.784 . 0 0 "[ ]" 1
42 1 9 VAL HA 1 10 ASP H 2.500 . 2.900 2.172 2.172 2.172 . 0 0 "[ ]" 1
43 1 9 VAL HA 1 22 LYS H 3.000 . 3.500 3.012 3.012 3.012 . 0 0 "[ ]" 1
44 1 9 VAL QG 1 10 ASP H 4.000 . 5.500 1.974 1.974 1.974 . 0 0 "[ ]" 1
45 1 10 ASP H 1 10 ASP HA 3.000 . 3.500 2.945 2.945 2.945 . 0 0 "[ ]" 1
46 1 10 ASP H 1 10 ASP QB 3.000 . 3.500 2.510 2.510 2.510 . 0 0 "[ ]" 1
47 1 10 ASP H 1 20 LYS H 4.000 . 5.000 3.898 3.898 3.898 . 0 0 "[ ]" 1
48 1 10 ASP H 1 21 ILE HA 4.000 . 5.000 2.883 2.883 2.883 . 0 0 "[ ]" 1
49 1 10 ASP H 1 22 LYS H 4.000 . 5.000 4.386 4.386 4.386 . 0 0 "[ ]" 1
50 1 10 ASP HA 1 11 GLY H 2.500 . 2.900 2.212 2.212 2.212 . 0 0 "[ ]" 1
51 1 10 ASP QB 1 11 GLY H 4.000 . 5.000 3.692 3.692 3.692 . 0 0 "[ ]" 1
52 1 11 GLY QA 1 12 SER H 2.500 . 2.900 2.129 2.129 2.129 . 0 0 "[ ]" 1
53 1 11 GLY QA 1 19 PHE HA 3.000 . 3.500 2.017 2.017 2.017 . 0 0 "[ ]" 1
54 1 11 GLY QA 1 20 LYS H 4.000 . 5.000 2.896 2.896 2.896 . 0 0 "[ ]" 1
55 1 12 SER H 1 12 SER HA 3.000 . 3.500 2.934 2.934 2.934 . 0 0 "[ ]" 1
56 1 12 SER H 1 12 SER QB 3.000 . 3.500 2.834 2.834 2.834 . 0 0 "[ ]" 1
57 1 12 SER H 1 18 ASP H 3.000 . 3.500 3.535 3.535 3.535 0.035 1 0 "[ ]" 1
58 1 12 SER H 1 19 PHE HA 3.000 . 3.500 3.506 3.506 3.506 0.006 1 0 "[ ]" 1
59 1 12 SER HA 1 13 GLU H 2.500 . 2.900 2.065 2.065 2.065 . 0 0 "[ ]" 1
60 1 12 SER HA 1 14 GLU H 4.000 . 6.000 5.635 5.635 5.635 . 0 0 "[ ]" 1
61 1 12 SER HA 1 89 ASN H 4.000 . 5.000 5.312 5.312 5.312 0.312 1 0 "[ ]" 1
62 1 12 SER QB 1 13 GLU H 3.000 . 3.500 3.323 3.323 3.323 . 0 0 "[ ]" 1
63 1 12 SER QB 1 14 GLU H 4.000 . 6.000 4.915 4.915 4.915 . 0 0 "[ ]" 1
64 1 13 GLU H 1 13 GLU HA 3.000 . 3.500 2.742 2.742 2.742 . 0 0 "[ ]" 1
65 1 13 GLU H 1 13 GLU QB 3.000 . 3.500 2.913 2.913 2.913 . 0 0 "[ ]" 1
66 1 13 GLU H 1 14 GLU H 4.000 . 5.000 4.388 4.388 4.388 . 0 0 "[ ]" 1
67 1 13 GLU H 1 90 VAL HA 3.000 . 3.500 4.016 4.016 4.016 0.516 1 1 [+] 1
68 1 13 GLU HA 1 14 GLU H 2.500 . 2.900 2.210 2.210 2.210 . 0 0 "[ ]" 1
69 1 13 GLU QB 1 14 GLU H 3.000 . 3.500 3.537 3.537 3.537 0.037 1 0 "[ ]" 1
70 1 14 GLU H 1 14 GLU HA 3.000 . 3.500 2.867 2.867 2.867 . 0 0 "[ ]" 1
71 1 14 GLU H 1 15 ILE H 4.000 . 5.000 4.297 4.297 4.297 . 0 0 "[ ]" 1
72 1 14 GLU H 1 17 SER QB 4.000 . 5.000 1.999 1.999 1.999 . 0 0 "[ ]" 1
73 1 14 GLU H 1 19 PHE QD 4.000 . 6.000 6.245 6.245 6.245 0.245 1 0 "[ ]" 1
74 1 14 GLU H 1 90 VAL QG 4.000 . 5.500 2.040 2.040 2.040 . 0 0 "[ ]" 1
75 1 14 GLU HA 1 15 ILE H 2.500 . 2.900 2.306 2.306 2.306 . 0 0 "[ ]" 1
76 1 14 GLU HA 1 91 VAL H 4.000 . 5.000 3.485 3.485 3.485 . 0 0 "[ ]" 1
77 1 15 ILE H 1 15 ILE HA 3.000 . 3.500 2.827 2.827 2.827 . 0 0 "[ ]" 1
78 1 15 ILE H 1 16 GLY H 4.000 . 5.000 4.234 4.234 4.234 . 0 0 "[ ]" 1
79 1 15 ILE H 1 90 VAL QG 4.000 . 5.500 4.461 4.461 4.461 . 0 0 "[ ]" 1
80 1 15 ILE H 1 91 VAL H 4.000 . 5.000 4.974 4.974 4.974 . 0 0 "[ ]" 1
81 1 15 ILE H 1 92 PRO HA 3.000 . 3.500 2.511 2.511 2.511 . 0 0 "[ ]" 1
82 1 15 ILE HA 1 16 GLY H 3.000 . 3.500 2.216 2.216 2.216 . 0 0 "[ ]" 1
83 1 15 ILE HA 1 17 SER H 4.000 . 5.000 3.928 3.928 3.928 . 0 0 "[ ]" 1
84 1 16 GLY H 1 17 SER H 3.000 . 3.500 2.201 2.201 2.201 . 0 0 "[ ]" 1
85 1 16 GLY H 1 63 ALA H 4.000 . 5.000 4.031 4.031 4.031 . 0 0 "[ ]" 1
86 1 16 GLY H 1 65 SER H 4.000 . 5.000 5.184 5.184 5.184 0.184 1 0 "[ ]" 1
87 1 16 GLY H 1 90 VAL QG 4.000 . 5.500 3.533 3.533 3.533 . 0 0 "[ ]" 1
88 1 16 GLY QA 1 17 SER H 3.000 . 3.500 2.711 2.711 2.711 . 0 0 "[ ]" 1
89 1 16 GLY QA 1 63 ALA H 3.000 . 4.000 3.519 3.519 3.519 . 0 0 "[ ]" 1
90 1 17 SER H 1 17 SER HA 3.000 . 3.500 2.911 2.911 2.911 . 0 0 "[ ]" 1
91 1 17 SER H 1 17 SER QB 3.000 . 3.500 2.230 2.230 2.230 . 0 0 "[ ]" 1
92 1 17 SER H 1 62 ASN H 4.000 . 5.000 3.635 3.635 3.635 . 0 0 "[ ]" 1
93 1 17 SER H 1 63 ALA H 4.000 . 5.000 4.233 4.233 4.233 . 0 0 "[ ]" 1
94 1 17 SER H 1 63 ALA MB 4.000 . 5.000 4.944 4.944 4.944 . 0 0 "[ ]" 1
95 1 17 SER H 1 90 VAL QG 4.000 . 6.500 3.417 3.417 3.417 . 0 0 "[ ]" 1
96 1 17 SER HA 1 18 ASP H 2.500 . 2.900 2.805 2.805 2.805 . 0 0 "[ ]" 1
97 1 17 SER QB 1 18 ASP H 3.000 . 3.500 2.233 2.233 2.233 . 0 0 "[ ]" 1
98 1 18 ASP H 1 18 ASP HA 3.000 . 3.500 2.967 2.967 2.967 . 0 0 "[ ]" 1
99 1 18 ASP H 1 18 ASP QB 3.000 . 3.500 2.485 2.485 2.485 . 0 0 "[ ]" 1
100 1 18 ASP HA 1 19 PHE H 2.500 . 2.900 2.142 2.142 2.142 . 0 0 "[ ]" 1
101 1 18 ASP HA 1 62 ASN H 3.000 . 3.500 3.583 3.583 3.583 0.083 1 0 "[ ]" 1
102 1 18 ASP HA 1 63 ALA H 4.000 . 6.000 6.249 6.249 6.249 0.249 1 0 "[ ]" 1
103 1 19 PHE H 1 19 PHE HA 3.000 . 3.500 2.954 2.954 2.954 . 0 0 "[ ]" 1
104 1 19 PHE H 1 59 SER HA 4.000 . 6.000 5.374 5.374 5.374 . 0 0 "[ ]" 1
105 1 19 PHE H 1 60 VAL H 3.000 . 3.500 3.755 3.755 3.755 0.255 1 0 "[ ]" 1
106 1 19 PHE H 1 60 VAL HB 4.000 . 5.000 4.609 4.609 4.609 . 0 0 "[ ]" 1
107 1 19 PHE H 1 60 VAL QG 4.000 . 5.000 4.594 4.594 4.594 . 0 0 "[ ]" 1
108 1 19 PHE H 1 61 LYS HA 3.000 . 3.500 3.406 3.406 3.406 . 0 0 "[ ]" 1
109 1 19 PHE H 1 62 ASN H 4.000 . 6.000 3.845 3.845 3.845 . 0 0 "[ ]" 1
110 1 19 PHE HA 1 20 LYS H 2.500 . 2.900 2.339 2.339 2.339 . 0 0 "[ ]" 1
111 1 19 PHE QD 1 20 LYS H 3.000 . 3.500 3.856 3.856 3.856 0.356 1 0 "[ ]" 1
112 1 19 PHE QD 1 21 ILE H 4.000 . 6.000 6.060 6.060 6.060 0.060 1 0 "[ ]" 1
113 1 19 PHE QD 1 60 VAL H 4.000 . 5.000 4.278 4.278 4.278 . 0 0 "[ ]" 1
114 1 19 PHE QE 1 63 ALA H 4.000 . 5.000 5.433 5.433 5.433 0.433 1 0 "[ ]" 1
115 1 20 LYS H 1 20 LYS HA 3.000 . 3.500 2.800 2.800 2.800 . 0 0 "[ ]" 1
116 1 20 LYS H 1 20 LYS QB 3.000 . 3.500 2.968 2.968 2.968 . 0 0 "[ ]" 1
117 1 20 LYS HA 1 21 ILE H 2.500 . 2.900 2.190 2.190 2.190 . 0 0 "[ ]" 1
118 1 20 LYS HA 1 60 VAL H 3.000 . 3.500 2.804 2.804 2.804 . 0 0 "[ ]" 1
119 1 20 LYS QB 1 21 ILE H 3.000 . 3.500 3.160 3.160 3.160 . 0 0 "[ ]" 1
120 1 21 ILE H 1 21 ILE HA 3.000 . 3.500 2.947 2.947 2.947 . 0 0 "[ ]" 1
121 1 21 ILE H 1 58 ILE H 4.000 . 5.000 3.062 3.062 3.062 . 0 0 "[ ]" 1
122 1 21 ILE H 1 59 SER HA 3.000 . 3.500 3.362 3.362 3.362 . 0 0 "[ ]" 1
123 1 21 ILE HA 1 22 LYS H 2.500 . 2.900 2.271 2.271 2.271 . 0 0 "[ ]" 1
124 1 21 ILE HB 1 22 LYS H 3.000 . 3.500 3.629 3.629 3.629 0.129 1 0 "[ ]" 1
125 1 22 LYS H 1 22 LYS HA 3.000 . 3.500 2.926 2.926 2.926 . 0 0 "[ ]" 1
126 1 22 LYS H 1 36 TRP HH2 4.000 . 5.000 3.551 3.551 3.551 . 0 0 "[ ]" 1
127 1 22 LYS HA 1 23 CYS H 2.500 . 2.900 2.142 2.142 2.142 . 0 0 "[ ]" 1
128 1 22 LYS QB 1 23 CYS H 4.000 . 5.000 3.135 3.135 3.135 . 0 0 "[ ]" 1
129 1 23 CYS H 1 23 CYS HA 3.000 . 3.500 2.892 2.892 2.892 . 0 0 "[ ]" 1
130 1 23 CYS H 1 23 CYS QB 3.000 . 3.500 2.807 2.807 2.807 . 0 0 "[ ]" 1
131 1 23 CYS H 1 36 TRP HH2 4.000 . 5.000 3.998 3.998 3.998 . 0 0 "[ ]" 1
132 1 23 CYS H 1 36 TRP HZ2 4.000 . 5.000 2.624 2.624 2.624 . 0 0 "[ ]" 1
133 1 23 CYS H 1 56 SER H 3.000 . 3.500 3.286 3.286 3.286 . 0 0 "[ ]" 1
134 1 23 CYS H 1 57 VAL HA 3.000 . 3.500 3.426 3.426 3.426 . 0 0 "[ ]" 1
135 1 23 CYS HA 1 24 GLU H 2.500 . 2.900 2.146 2.146 2.146 . 0 0 "[ ]" 1
136 1 23 CYS QB 1 73 CYS QB 3.000 . 3.500 3.510 3.510 3.510 0.010 1 0 "[ ]" 1
137 1 24 GLU H 1 24 GLU HA 3.000 . 3.500 2.936 2.936 2.936 . 0 0 "[ ]" 1
138 1 25 PRO HA 1 26 LYS H 2.500 . 2.900 2.231 2.231 2.231 . 0 0 "[ ]" 1
139 1 25 PRO HA 1 27 GLU H 4.000 . 5.000 4.995 4.995 4.995 . 0 0 "[ ]" 1
140 1 25 PRO QB 1 26 LYS H 3.000 . 3.500 3.692 3.692 3.692 0.192 1 0 "[ ]" 1
141 1 26 LYS H 1 26 LYS HA 3.000 . 3.500 2.960 2.960 2.960 . 0 0 "[ ]" 1
142 1 26 LYS HA 1 27 GLU H 2.500 . 3.000 2.347 2.347 2.347 . 0 0 "[ ]" 1
143 1 27 GLU H 1 27 GLU HA 3.000 . 3.500 2.954 2.954 2.954 . 0 0 "[ ]" 1
144 1 27 GLU H 1 28 GLY H 4.000 . 5.000 4.000 4.000 4.000 . 0 0 "[ ]" 1
145 1 27 GLU HA 1 28 GLY H 2.500 . 2.900 2.225 2.225 2.225 . 0 0 "[ ]" 1
146 1 28 GLY H 1 29 SER H 3.000 . 3.500 3.627 3.627 3.627 0.127 1 0 "[ ]" 1
147 1 28 GLY QA 1 29 SER H 3.000 . 3.500 2.625 2.625 2.625 . 0 0 "[ ]" 1
148 1 29 SER H 1 29 SER HA 3.000 . 3.500 2.921 2.921 2.921 . 0 0 "[ ]" 1
149 1 29 SER H 1 30 LEU H 4.000 . 5.000 4.408 4.408 4.408 . 0 0 "[ ]" 1
150 1 29 SER HA 1 30 LEU H 3.000 . 3.500 2.511 2.511 2.511 . 0 0 "[ ]" 1
151 1 30 LEU H 1 30 LEU HA 3.000 . 3.500 2.785 2.785 2.785 . 0 0 "[ ]" 1
152 1 31 PRO HA 1 32 LEU H 3.000 . 3.500 2.414 2.414 2.414 . 0 0 "[ ]" 1
153 1 31 PRO HA 1 33 GLN H 4.000 . 5.000 4.814 4.814 4.814 . 0 0 "[ ]" 1
154 1 32 LEU H 1 32 LEU HA 3.000 . 3.500 2.926 2.926 2.926 . 0 0 "[ ]" 1
155 1 32 LEU H 1 33 GLN H 3.000 . 3.500 2.486 2.486 2.486 . 0 0 "[ ]" 1
156 1 32 LEU H 1 77 ASN HA 3.000 . 3.500 3.038 3.038 3.038 . 0 0 "[ ]" 1
157 1 32 LEU HA 1 33 GLN H 3.000 . 3.500 3.575 3.575 3.575 0.075 1 0 "[ ]" 1
158 1 33 GLN H 1 33 GLN HA 3.000 . 3.500 2.917 2.917 2.917 . 0 0 "[ ]" 1
159 1 33 GLN H 1 76 ARG H 3.000 . 3.500 3.563 3.563 3.563 0.063 1 0 "[ ]" 1
160 1 33 GLN H 1 77 ASN HA 3.000 . 3.500 3.523 3.523 3.523 0.023 1 0 "[ ]" 1
161 1 33 GLN HA 1 34 TYR H 2.500 . 2.900 2.231 2.231 2.231 . 0 0 "[ ]" 1
162 1 33 GLN QB 1 34 TYR H 3.000 . 3.500 2.855 2.855 2.855 . 0 0 "[ ]" 1
163 1 34 TYR H 1 34 TYR HA 3.000 . 3.500 2.870 2.870 2.870 . 0 0 "[ ]" 1
164 1 34 TYR H 1 34 TYR QB 3.000 . 3.500 3.212 3.212 3.212 . 0 0 "[ ]" 1
165 1 34 TYR H 1 34 TYR QD 3.000 . 3.500 2.203 2.203 2.203 . 0 0 "[ ]" 1
166 1 34 TYR HA 1 35 GLU H 2.500 . 2.900 2.243 2.243 2.243 . 0 0 "[ ]" 1
167 1 34 TYR HA 1 76 ARG H 3.000 . 3.500 2.927 2.927 2.927 . 0 0 "[ ]" 1
168 1 34 TYR QB 1 35 GLU H 3.000 . 3.500 2.874 2.874 2.874 . 0 0 "[ ]" 1
169 1 34 TYR QD 1 56 SER H 4.000 . 6.000 5.577 5.577 5.577 . 0 0 "[ ]" 1
170 1 35 GLU H 1 35 GLU HA 3.000 . 3.500 2.919 2.919 2.919 . 0 0 "[ ]" 1
171 1 35 GLU H 1 35 GLU QB 3.000 . 3.500 2.724 2.724 2.724 . 0 0 "[ ]" 1
172 1 35 GLU H 1 74 THR H 4.000 . 5.000 3.621 3.621 3.621 . 0 0 "[ ]" 1
173 1 35 GLU H 1 74 THR HB 4.000 . 5.000 3.153 3.153 3.153 . 0 0 "[ ]" 1
174 1 35 GLU H 1 75 VAL HA 3.000 . 3.500 3.359 3.359 3.359 . 0 0 "[ ]" 1
175 1 35 GLU HA 1 36 TRP H 2.500 . 2.900 2.236 2.236 2.236 . 0 0 "[ ]" 1
176 1 35 GLU HA 1 54 THR H 4.000 . 5.000 5.107 5.107 5.107 0.107 1 0 "[ ]" 1
177 1 36 TRP H 1 36 TRP HA 3.000 . 3.500 2.889 2.889 2.889 . 0 0 "[ ]" 1
178 1 36 TRP H 1 53 MET HA 4.000 . 5.000 2.294 2.294 2.294 . 0 0 "[ ]" 1
179 1 36 TRP H 1 54 THR HA 4.000 . 5.000 5.128 5.128 5.128 0.128 1 0 "[ ]" 1
180 1 36 TRP HA 1 37 GLN H 2.500 . 2.900 2.309 2.309 2.309 . 0 0 "[ ]" 1
181 1 36 TRP HA 1 73 CYS HA 3.000 . 3.500 2.245 2.245 2.245 . 0 0 "[ ]" 1
182 1 36 TRP HA 1 74 THR H 3.000 . 3.500 2.649 2.649 2.649 . 0 0 "[ ]" 1
183 1 36 TRP QB 1 37 GLN H 3.000 . 3.500 2.535 2.535 2.535 . 0 0 "[ ]" 1
184 1 36 TRP HD1 1 55 SER H 4.000 . 5.000 4.417 4.417 4.417 . 0 0 "[ ]" 1
185 1 37 GLN H 1 37 GLN HA 3.000 . 3.500 2.912 2.912 2.912 . 0 0 "[ ]" 1
186 1 37 GLN H 1 37 GLN QB 3.000 . 3.500 2.724 2.724 2.724 . 0 0 "[ ]" 1
187 1 37 GLN H 1 72 SER H 3.000 . 3.500 3.584 3.584 3.584 0.084 1 0 "[ ]" 1
188 1 37 GLN H 1 73 CYS HA 3.000 . 3.500 2.823 2.823 2.823 . 0 0 "[ ]" 1
189 1 37 GLN HA 1 38 LYS H 2.500 . 2.900 2.224 2.224 2.224 . 0 0 "[ ]" 1
190 1 37 GLN QB 1 38 LYS H 3.000 . 3.500 3.140 3.140 3.140 . 0 0 "[ ]" 1
191 1 38 LYS H 1 38 LYS HA 3.000 . 3.500 2.931 2.931 2.931 . 0 0 "[ ]" 1
192 1 38 LYS H 1 38 LYS QB 3.000 . 3.500 3.042 3.042 3.042 . 0 0 "[ ]" 1
193 1 38 LYS HA 1 39 LEU H 2.500 . 2.900 2.412 2.412 2.412 . 0 0 "[ ]" 1
194 1 38 LYS HA 1 71 TYR HA 3.000 . 3.500 2.368 2.368 2.368 . 0 0 "[ ]" 1
195 1 38 LYS HA 1 72 SER H 3.000 . 3.500 3.062 3.062 3.062 . 0 0 "[ ]" 1
196 1 38 LYS QB 1 39 LEU H 3.000 . 3.500 2.434 2.434 2.434 . 0 0 "[ ]" 1
197 1 39 LEU H 1 39 LEU HA 3.000 . 3.500 2.909 2.909 2.909 . 0 0 "[ ]" 1
198 1 39 LEU H 1 39 LEU QB 3.000 . 3.500 2.707 2.707 2.707 . 0 0 "[ ]" 1
199 1 39 LEU H 1 40 SER H 3.000 . 3.500 3.689 3.689 3.689 0.189 1 0 "[ ]" 1
200 1 39 LEU H 1 41 ASP H 4.000 . 6.000 6.619 6.619 6.619 0.619 1 1 [+] 1
201 1 39 LEU H 1 70 THR H 4.000 . 5.000 3.771 3.771 3.771 . 0 0 "[ ]" 1
202 1 39 LEU H 1 71 TYR HA 3.000 . 3.500 2.965 2.965 2.965 . 0 0 "[ ]" 1
203 1 39 LEU HA 1 40 SER H 3.000 . 3.500 2.159 2.159 2.159 . 0 0 "[ ]" 1
204 1 39 LEU QB 1 40 SER H 3.000 . 3.500 3.621 3.621 3.621 0.121 1 0 "[ ]" 1
205 1 40 SER H 1 40 SER HA 3.000 . 3.500 2.925 2.925 2.925 . 0 0 "[ ]" 1
206 1 40 SER H 1 41 ASP HA 4.000 . 5.000 4.820 4.820 4.820 . 0 0 "[ ]" 1
207 1 40 SER HA 1 41 ASP H 3.000 . 3.500 2.095 2.095 2.095 . 0 0 "[ ]" 1
208 1 40 SER HA 1 43 GLN H 4.000 . 5.000 4.746 4.746 4.746 . 0 0 "[ ]" 1
209 1 40 SER HA 1 70 THR H 4.000 . 5.000 4.012 4.012 4.012 . 0 0 "[ ]" 1
210 1 40 SER QB 1 41 ASP H 3.000 . 3.500 3.242 3.242 3.242 . 0 0 "[ ]" 1
211 1 41 ASP H 1 41 ASP HA 3.000 . 3.500 2.737 2.737 2.737 . 0 0 "[ ]" 1
212 1 41 ASP H 1 41 ASP QB 3.000 . 3.500 2.609 2.609 2.609 . 0 0 "[ ]" 1
213 1 41 ASP H 1 42 SER H 3.000 . 3.500 2.870 2.870 2.870 . 0 0 "[ ]" 1
214 1 41 ASP HA 1 42 SER H 3.000 . 3.500 3.472 3.472 3.472 . 0 0 "[ ]" 1
215 1 41 ASP QB 1 42 SER H 3.000 . 3.500 2.845 2.845 2.845 . 0 0 "[ ]" 1
216 1 42 SER H 1 42 SER HA 3.000 . 3.500 2.903 2.903 2.903 . 0 0 "[ ]" 1
217 1 42 SER H 1 43 GLN H 3.000 . 3.500 2.690 2.690 2.690 . 0 0 "[ ]" 1
218 1 42 SER HA 1 43 GLN H 3.000 . 3.500 3.091 3.091 3.091 . 0 0 "[ ]" 1
219 1 42 SER HA 1 44 LYS H 4.000 . 6.000 3.371 3.371 3.371 . 0 0 "[ ]" 1
220 1 42 SER QB 1 43 GLN H 3.000 . 3.500 3.610 3.610 3.610 0.110 1 0 "[ ]" 1
221 1 42 SER QB 1 44 LYS H 3.000 . 3.500 3.861 3.861 3.861 0.361 1 0 "[ ]" 1
222 1 43 GLN H 1 43 GLN HA 3.000 . 3.500 2.623 2.623 2.623 . 0 0 "[ ]" 1
223 1 43 GLN H 1 43 GLN QB 3.000 . 3.500 2.335 2.335 2.335 . 0 0 "[ ]" 1
224 1 43 GLN H 1 44 LYS H 3.000 . 3.500 3.317 3.317 3.317 . 0 0 "[ ]" 1
225 1 43 GLN HA 1 44 LYS H 3.000 . 3.500 3.495 3.495 3.495 . 0 0 "[ ]" 1
226 1 43 GLN QB 1 44 LYS H 3.000 . 3.500 3.299 3.299 3.299 . 0 0 "[ ]" 1
227 1 44 LYS H 1 44 LYS HA 3.000 . 3.500 2.860 2.860 2.860 . 0 0 "[ ]" 1
228 1 44 LYS H 1 44 LYS QB 3.000 . 3.500 2.497 2.497 2.497 . 0 0 "[ ]" 1
229 1 44 LYS H 1 45 MET H 4.000 . 5.000 4.130 4.130 4.130 . 0 0 "[ ]" 1
230 1 44 LYS HA 1 45 MET H 2.500 . 2.900 2.183 2.183 2.183 . 0 0 "[ ]" 1
231 1 44 LYS QB 1 45 MET H 3.000 . 3.500 3.664 3.664 3.664 0.164 1 0 "[ ]" 1
232 1 45 MET H 1 45 MET HA 3.000 . 3.500 2.892 2.892 2.892 . 0 0 "[ ]" 1
233 1 45 MET H 1 45 MET QB 3.000 . 3.500 2.721 2.721 2.721 . 0 0 "[ ]" 1
234 1 45 MET HA 1 48 SER H 3.000 . 3.500 3.622 3.622 3.622 0.122 1 0 "[ ]" 1
235 1 45 MET HA 1 49 TRP H 4.000 . 5.000 4.281 4.281 4.281 . 0 0 "[ ]" 1
236 1 46 PRO HA 1 47 THR H 3.000 . 3.500 3.560 3.560 3.560 0.060 1 0 "[ ]" 1
237 1 46 PRO HA 1 49 TRP H 3.000 . 3.500 3.680 3.680 3.680 0.180 1 0 "[ ]" 1
238 1 46 PRO QB 1 47 THR H 3.000 . 3.500 2.094 2.094 2.094 . 0 0 "[ ]" 1
239 1 47 THR H 1 47 THR HA 3.000 . 3.500 2.815 2.815 2.815 . 0 0 "[ ]" 1
240 1 47 THR H 1 47 THR HB 3.000 . 3.500 3.495 3.495 3.495 . 0 0 "[ ]" 1
241 1 47 THR H 1 47 THR MG 3.000 . 3.500 2.900 2.900 2.900 . 0 0 "[ ]" 1
242 1 47 THR H 1 48 SER H 2.500 . 2.900 2.581 2.581 2.581 . 0 0 "[ ]" 1
243 1 47 THR H 1 48 SER HA 4.000 . 5.000 5.167 5.167 5.167 0.167 1 0 "[ ]" 1
244 1 47 THR HA 1 48 SER H 3.000 . 3.500 3.514 3.514 3.514 0.014 1 0 "[ ]" 1
245 1 47 THR HA 1 50 LEU H 3.000 . 3.500 3.414 3.414 3.414 . 0 0 "[ ]" 1
246 1 47 THR HB 1 48 SER H 3.000 . 3.500 3.423 3.423 3.423 . 0 0 "[ ]" 1
247 1 47 THR MG 1 48 SER H 4.000 . 5.500 4.187 4.187 4.187 . 0 0 "[ ]" 1
248 1 48 SER H 1 48 SER HA 3.000 . 3.500 2.829 2.829 2.829 . 0 0 "[ ]" 1
249 1 48 SER H 1 48 SER QB 3.000 . 3.500 2.951 2.951 2.951 . 0 0 "[ ]" 1
250 1 48 SER H 1 49 TRP H 2.500 . 2.900 2.609 2.609 2.609 . 0 0 "[ ]" 1
251 1 48 SER HA 1 49 TRP H 3.000 . 3.500 3.533 3.533 3.533 0.033 1 0 "[ ]" 1
252 1 48 SER HA 1 50 LEU H 3.000 . 3.500 3.855 3.855 3.855 0.355 1 0 "[ ]" 1
253 1 48 SER HA 1 51 ALA H 3.000 . 3.500 3.517 3.517 3.517 0.017 1 0 "[ ]" 1
254 1 48 SER QB 1 49 TRP H 3.000 . 3.500 2.961 2.961 2.961 . 0 0 "[ ]" 1
255 1 49 TRP H 1 49 TRP HA 3.000 . 3.500 2.856 2.856 2.856 . 0 0 "[ ]" 1
256 1 49 TRP H 1 49 TRP QB 3.000 . 3.500 2.293 2.293 2.293 . 0 0 "[ ]" 1
257 1 49 TRP H 1 50 LEU H 2.500 . 2.900 2.505 2.505 2.505 . 0 0 "[ ]" 1
258 1 49 TRP HA 1 50 LEU H 3.000 . 3.500 3.424 3.424 3.424 . 0 0 "[ ]" 1
259 1 49 TRP HA 1 51 ALA H 4.000 . 5.000 4.423 4.423 4.423 . 0 0 "[ ]" 1
260 1 49 TRP HA 1 52 GLU H 3.000 . 3.500 2.991 2.991 2.991 . 0 0 "[ ]" 1
261 1 49 TRP QB 1 50 LEU H 4.000 . 5.000 3.196 3.196 3.196 . 0 0 "[ ]" 1
262 1 49 TRP HE1 1 60 VAL QG 4.000 . 5.500 5.628 5.628 5.628 0.128 1 0 "[ ]" 1
263 1 50 LEU H 1 50 LEU HA 3.000 . 3.500 2.866 2.866 2.866 . 0 0 "[ ]" 1
264 1 50 LEU H 1 50 LEU QB 3.000 . 3.500 2.221 2.221 2.221 . 0 0 "[ ]" 1
265 1 50 LEU H 1 51 ALA H 2.500 . 2.900 2.508 2.508 2.508 . 0 0 "[ ]" 1
266 1 50 LEU HA 1 51 ALA H 3.000 . 3.500 3.532 3.532 3.532 0.032 1 0 "[ ]" 1
267 1 50 LEU HA 1 52 GLU H 4.000 . 5.000 3.978 3.978 3.978 . 0 0 "[ ]" 1
268 1 50 LEU HA 1 53 MET H 3.000 . 3.500 3.107 3.107 3.107 . 0 0 "[ ]" 1
269 1 50 LEU QB 1 51 ALA H 3.000 . 3.500 2.407 2.407 2.407 . 0 0 "[ ]" 1
270 1 51 ALA H 1 51 ALA MB 3.000 . 3.500 2.139 2.139 2.139 . 0 0 "[ ]" 1
271 1 51 ALA H 1 52 GLU H 2.500 . 2.900 2.556 2.556 2.556 . 0 0 "[ ]" 1
272 1 51 ALA HA 1 52 GLU H 3.000 . 3.500 3.484 3.484 3.484 . 0 0 "[ ]" 1
273 1 51 ALA HA 1 53 MET H 4.000 . 5.000 4.097 4.097 4.097 . 0 0 "[ ]" 1
274 1 51 ALA HA 1 54 THR H 3.000 . 3.500 3.542 3.542 3.542 0.042 1 0 "[ ]" 1
275 1 51 ALA MB 1 52 GLU H 4.000 . 5.000 2.841 2.841 2.841 . 0 0 "[ ]" 1
276 1 52 GLU H 1 52 GLU HA 3.000 . 3.500 2.859 2.859 2.859 . 0 0 "[ ]" 1
277 1 52 GLU H 1 52 GLU QB 3.000 . 3.500 2.334 2.334 2.334 . 0 0 "[ ]" 1
278 1 52 GLU H 1 53 MET H 2.500 . 2.900 2.496 2.496 2.496 . 0 0 "[ ]" 1
279 1 52 GLU HA 1 53 MET H 3.000 . 3.500 3.529 3.529 3.529 0.029 1 0 "[ ]" 1
280 1 52 GLU HA 1 54 THR H 4.000 . 5.000 3.935 3.935 3.935 . 0 0 "[ ]" 1
281 1 52 GLU HA 1 55 SER H 3.000 . 3.500 3.854 3.854 3.854 0.354 1 0 "[ ]" 1
282 1 52 GLU QB 1 53 MET H 3.000 . 3.500 2.894 2.894 2.894 . 0 0 "[ ]" 1
283 1 53 MET H 1 53 MET HA 3.000 . 3.500 2.814 2.814 2.814 . 0 0 "[ ]" 1
284 1 53 MET H 1 53 MET QB 3.000 . 3.500 2.480 2.480 2.480 . 0 0 "[ ]" 1
285 1 53 MET H 1 54 THR H 2.500 . 2.900 2.569 2.569 2.569 . 0 0 "[ ]" 1
286 1 53 MET HA 1 54 THR H 3.000 . 3.500 3.483 3.483 3.483 . 0 0 "[ ]" 1
287 1 53 MET HA 1 55 SER H 4.000 . 6.000 5.568 5.568 5.568 . 0 0 "[ ]" 1
288 1 53 MET QB 1 54 THR H 4.000 . 5.000 2.542 2.542 2.542 . 0 0 "[ ]" 1
289 1 53 MET HG2 1 54 THR H 4.000 . 5.000 4.804 4.804 4.804 . 0 0 "[ ]" 1
290 1 54 THR H 1 54 THR HA 3.000 . 3.500 2.881 2.881 2.881 . 0 0 "[ ]" 1
291 1 54 THR H 1 54 THR HB 4.000 . 5.000 3.920 3.920 3.920 . 0 0 "[ ]" 1
292 1 54 THR HA 1 55 SER H 3.000 . 3.500 2.165 2.165 2.165 . 0 0 "[ ]" 1
293 1 54 THR HB 1 55 SER H 3.000 . 3.500 3.828 3.828 3.828 0.328 1 0 "[ ]" 1
294 1 55 SER H 1 55 SER HA 3.000 . 3.500 2.929 2.929 2.929 . 0 0 "[ ]" 1
295 1 55 SER HA 1 56 SER H 3.000 . 3.500 3.554 3.554 3.554 0.054 1 0 "[ ]" 1
296 1 55 SER HA 1 57 VAL H 3.000 . 3.500 3.729 3.729 3.729 0.229 1 0 "[ ]" 1
297 1 55 SER QB 1 56 SER H 3.000 . 3.500 2.380 2.380 2.380 . 0 0 "[ ]" 1
298 1 55 SER QB 1 57 VAL H 3.000 . 3.500 2.619 2.619 2.619 . 0 0 "[ ]" 1
299 1 56 SER H 1 56 SER HA 3.000 . 3.500 2.327 2.327 2.327 . 0 0 "[ ]" 1
300 1 56 SER H 1 56 SER QB 3.000 . 3.500 3.552 3.552 3.552 0.052 1 0 "[ ]" 1
301 1 56 SER H 1 57 VAL H 2.500 . 2.900 3.047 3.047 3.047 0.147 1 0 "[ ]" 1
302 1 56 SER HA 1 57 VAL H 3.000 . 3.500 3.512 3.512 3.512 0.012 1 0 "[ ]" 1
303 1 56 SER QB 1 57 VAL H 3.000 . 3.500 2.538 2.538 2.538 . 0 0 "[ ]" 1
304 1 57 VAL H 1 57 VAL HA 3.000 . 3.500 2.881 2.881 2.881 . 0 0 "[ ]" 1
305 1 57 VAL H 1 57 VAL HB 3.000 . 3.500 3.351 3.351 3.351 . 0 0 "[ ]" 1
306 1 57 VAL HA 1 58 ILE H 2.500 . 2.900 2.223 2.223 2.223 . 0 0 "[ ]" 1
307 1 57 VAL HB 1 58 ILE H 3.000 . 3.500 3.629 3.629 3.629 0.129 1 0 "[ ]" 1
308 1 58 ILE H 1 58 ILE HA 3.000 . 3.500 2.932 2.932 2.932 . 0 0 "[ ]" 1
309 1 58 ILE H 1 58 ILE HB 3.000 . 3.500 2.902 2.902 2.902 . 0 0 "[ ]" 1
310 1 58 ILE HA 1 59 SER H 2.500 . 2.900 2.274 2.274 2.274 . 0 0 "[ ]" 1
311 1 58 ILE HB 1 59 SER H 4.000 . 5.000 3.658 3.658 3.658 . 0 0 "[ ]" 1
312 1 59 SER H 1 59 SER HA 3.000 . 3.500 2.941 2.941 2.941 . 0 0 "[ ]" 1
313 1 59 SER H 1 59 SER QB 3.000 . 3.500 2.844 2.844 2.844 . 0 0 "[ ]" 1
314 1 59 SER HA 1 60 VAL H 2.500 . 2.900 2.204 2.204 2.204 . 0 0 "[ ]" 1
315 1 59 SER QB 1 60 VAL H 3.000 . 3.500 3.112 3.112 3.112 . 0 0 "[ ]" 1
316 1 60 VAL H 1 60 VAL HA 3.000 . 3.500 2.946 2.946 2.946 . 0 0 "[ ]" 1
317 1 60 VAL H 1 60 VAL HB 3.000 . 3.500 3.240 3.240 3.240 . 0 0 "[ ]" 1
318 1 60 VAL HA 1 61 LYS H 2.500 . 2.900 2.472 2.472 2.472 . 0 0 "[ ]" 1
319 1 60 VAL HB 1 61 LYS H 4.000 . 5.000 2.787 2.787 2.787 . 0 0 "[ ]" 1
320 1 60 VAL QG 1 61 LYS H 3.000 . 3.500 2.046 2.046 2.046 . 0 0 "[ ]" 1
321 1 61 LYS H 1 61 LYS HA 3.000 . 3.500 2.944 2.944 2.944 . 0 0 "[ ]" 1
322 1 61 LYS H 1 61 LYS QB 3.000 . 3.500 2.475 2.475 2.475 . 0 0 "[ ]" 1
323 1 61 LYS H 1 62 ASN H 4.000 . 5.000 4.466 4.466 4.466 . 0 0 "[ ]" 1
324 1 61 LYS HA 1 62 ASN H 3.000 . 3.500 2.198 2.198 2.198 . 0 0 "[ ]" 1
325 1 61 LYS HA 1 63 ALA H 4.000 . 5.000 3.712 3.712 3.712 . 0 0 "[ ]" 1
326 1 61 LYS QB 1 62 ASN H 4.000 . 6.000 3.042 3.042 3.042 . 0 0 "[ ]" 1
327 1 62 ASN H 1 62 ASN HA 3.000 . 3.500 2.931 2.931 2.931 . 0 0 "[ ]" 1
328 1 62 ASN H 1 62 ASN QB 3.000 . 3.500 2.250 2.250 2.250 . 0 0 "[ ]" 1
329 1 62 ASN H 1 63 ALA H 3.000 . 3.500 2.726 2.726 2.726 . 0 0 "[ ]" 1
330 1 62 ASN HA 1 63 ALA H 3.000 . 3.500 3.048 3.048 3.048 . 0 0 "[ ]" 1
331 1 62 ASN QB 1 63 ALA H 4.000 . 5.000 3.623 3.623 3.623 . 0 0 "[ ]" 1
332 1 63 ALA H 1 63 ALA HA 3.000 . 3.500 2.736 2.736 2.736 . 0 0 "[ ]" 1
333 1 63 ALA H 1 63 ALA MB 3.000 . 3.500 2.055 2.055 2.055 . 0 0 "[ ]" 1
334 1 63 ALA H 1 64 SER H 4.000 . 5.000 2.863 2.863 2.863 . 0 0 "[ ]" 1
335 1 63 ALA HA 1 64 SER H 3.000 . 3.500 3.474 3.474 3.474 . 0 0 "[ ]" 1
336 1 63 ALA MB 1 64 SER H 3.000 . 3.500 2.959 2.959 2.959 . 0 0 "[ ]" 1
337 1 64 SER H 1 64 SER HA 3.000 . 3.500 2.946 2.946 2.946 . 0 0 "[ ]" 1
338 1 64 SER H 1 64 SER QB 3.000 . 3.500 2.946 2.946 2.946 . 0 0 "[ ]" 1
339 1 64 SER H 1 65 SER H 4.000 . 5.000 4.350 4.350 4.350 . 0 0 "[ ]" 1
340 1 64 SER H 1 66 GLU H 4.000 . 5.000 4.842 4.842 4.842 . 0 0 "[ ]" 1
341 1 64 SER H 1 67 TYR H 4.000 . 5.000 4.904 4.904 4.904 . 0 0 "[ ]" 1
342 1 64 SER H 1 67 TYR QD 3.000 . 3.500 2.709 2.709 2.709 . 0 0 "[ ]" 1
343 1 64 SER HA 1 65 SER H 2.500 . 2.900 2.120 2.120 2.120 . 0 0 "[ ]" 1
344 1 64 SER HA 1 65 SER HA 4.000 . 5.000 4.373 4.373 4.373 . 0 0 "[ ]" 1
345 1 64 SER HA 1 66 GLU H 3.000 . 3.500 3.582 3.582 3.582 0.082 1 0 "[ ]" 1
346 1 64 SER HA 1 67 TYR H 4.000 . 5.000 5.037 5.037 5.037 0.037 1 0 "[ ]" 1
347 1 64 SER QB 1 65 SER H 3.000 . 3.500 3.280 3.280 3.280 . 0 0 "[ ]" 1
348 1 64 SER QB 1 66 GLU H 2.500 . 3.000 2.565 2.565 2.565 . 0 0 "[ ]" 1
349 1 65 SER H 1 65 SER HA 3.000 . 3.500 2.852 2.852 2.852 . 0 0 "[ ]" 1
350 1 65 SER H 1 65 SER QB 3.000 . 3.500 2.857 2.857 2.857 . 0 0 "[ ]" 1
351 1 65 SER H 1 66 GLU H 3.000 . 4.000 2.796 2.796 2.796 . 0 0 "[ ]" 1
352 1 65 SER HA 1 66 GLU H 3.000 . 3.500 3.259 3.259 3.259 . 0 0 "[ ]" 1
353 1 65 SER HA 1 67 TYR H 4.000 . 5.000 3.534 3.534 3.534 . 0 0 "[ ]" 1
354 1 65 SER QB 1 66 GLU H 4.000 . 5.000 3.848 3.848 3.848 . 0 0 "[ ]" 1
355 1 66 GLU H 1 66 GLU HA 3.000 . 3.500 2.926 2.926 2.926 . 0 0 "[ ]" 1
356 1 66 GLU H 1 66 GLU QB 3.000 . 3.500 2.410 2.410 2.410 . 0 0 "[ ]" 1
357 1 66 GLU H 1 67 TYR H 3.000 . 3.500 2.355 2.355 2.355 . 0 0 "[ ]" 1
358 1 66 GLU H 1 67 TYR QD 4.000 . 5.000 4.143 4.143 4.143 . 0 0 "[ ]" 1
359 1 66 GLU HA 1 67 TYR H 3.000 . 3.500 3.218 3.218 3.218 . 0 0 "[ ]" 1
360 1 66 GLU QB 1 67 TYR H 4.000 . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
361 1 67 TYR H 1 67 TYR HA 3.000 . 3.500 2.899 2.899 2.899 . 0 0 "[ ]" 1
362 1 67 TYR H 1 67 TYR QB 3.000 . 3.500 2.177 2.177 2.177 . 0 0 "[ ]" 1
363 1 67 TYR H 1 67 TYR QD 3.000 . 3.500 3.484 3.484 3.484 . 0 0 "[ ]" 1
364 1 67 TYR H 1 68 SER H 3.000 . 3.500 3.528 3.528 3.528 0.028 1 0 "[ ]" 1
365 1 67 TYR H 1 90 VAL H 4.000 . 5.000 4.008 4.008 4.008 . 0 0 "[ ]" 1
366 1 67 TYR HA 1 68 SER H 3.000 . 3.500 2.566 2.566 2.566 . 0 0 "[ ]" 1
367 1 67 TYR QB 1 68 SER H 4.000 . 5.000 3.936 3.936 3.936 . 0 0 "[ ]" 1
368 1 67 TYR QD 1 68 SER H 4.000 . 5.000 4.644 4.644 4.644 . 0 0 "[ ]" 1
369 1 68 SER H 1 68 SER HA 3.000 . 3.500 2.947 2.947 2.947 . 0 0 "[ ]" 1
370 1 68 SER H 1 68 SER QB 3.000 . 3.500 2.441 2.441 2.441 . 0 0 "[ ]" 1
371 1 68 SER H 1 69 GLY H 4.000 . 5.000 4.238 4.238 4.238 . 0 0 "[ ]" 1
372 1 68 SER HA 1 69 GLY H 2.500 . 2.900 2.163 2.163 2.163 . 0 0 "[ ]" 1
373 1 68 SER HA 1 89 ASN HA 3.000 . 3.500 1.953 1.953 1.953 . 0 0 "[ ]" 1
374 1 68 SER HA 1 90 VAL H 4.000 . 5.000 2.536 2.536 2.536 . 0 0 "[ ]" 1
375 1 69 GLY H 1 88 LEU H 3.000 . 3.500 3.625 3.625 3.625 0.125 1 0 "[ ]" 1
376 1 69 GLY H 1 89 ASN HA 3.000 . 3.500 3.246 3.246 3.246 . 0 0 "[ ]" 1
377 1 69 GLY QA 1 70 THR H 2.500 . 2.900 2.243 2.243 2.243 . 0 0 "[ ]" 1
378 1 70 THR H 1 70 THR HB 3.000 . 3.500 3.498 3.498 3.498 . 0 0 "[ ]" 1
379 1 70 THR HA 1 71 TYR H 2.500 . 2.900 2.149 2.149 2.149 . 0 0 "[ ]" 1
380 1 70 THR HA 1 88 LEU H 4.000 . 5.000 3.553 3.553 3.553 . 0 0 "[ ]" 1
381 1 71 TYR H 1 71 TYR HA 3.000 . 3.500 2.893 2.893 2.893 . 0 0 "[ ]" 1
382 1 71 TYR H 1 86 LEU H 4.000 . 5.000 4.463 4.463 4.463 . 0 0 "[ ]" 1
383 1 71 TYR H 1 87 ARG HA 3.000 . 3.500 2.058 2.058 2.058 . 0 0 "[ ]" 1
384 1 71 TYR H 1 88 LEU H 4.000 . 5.000 3.283 3.283 3.283 . 0 0 "[ ]" 1
385 1 71 TYR HA 1 72 SER H 2.500 . 2.900 2.503 2.503 2.503 . 0 0 "[ ]" 1
386 1 71 TYR QD 1 72 SER H 3.000 . 3.500 3.453 3.453 3.453 . 0 0 "[ ]" 1
387 1 71 TYR QE 1 72 SER H 4.000 . 5.000 5.140 5.140 5.140 0.140 1 0 "[ ]" 1
388 1 72 SER H 1 72 SER HA 3.000 . 3.500 2.863 2.863 2.863 . 0 0 "[ ]" 1
389 1 72 SER HA 1 73 CYS H 2.500 . 2.900 2.265 2.265 2.265 . 0 0 "[ ]" 1
390 1 72 SER HA 1 86 LEU H 3.000 . 3.500 2.032 2.032 2.032 . 0 0 "[ ]" 1
391 1 73 CYS H 1 84 CYS H 4.000 . 5.000 3.225 3.225 3.225 . 0 0 "[ ]" 1
392 1 73 CYS H 1 85 LEU HA 3.000 . 3.500 3.529 3.529 3.529 0.029 1 0 "[ ]" 1
393 1 73 CYS HA 1 74 THR H 2.500 . 2.900 2.251 2.251 2.251 . 0 0 "[ ]" 1
394 1 73 CYS QB 1 74 THR H 3.000 . 3.500 3.393 3.393 3.393 . 0 0 "[ ]" 1
395 1 74 THR H 1 74 THR HA 3.000 . 3.500 2.937 2.937 2.937 . 0 0 "[ ]" 1
396 1 74 THR H 1 74 THR HB 3.000 . 3.500 3.422 3.422 3.422 . 0 0 "[ ]" 1
397 1 74 THR H 1 74 THR MG 4.000 . 5.500 3.806 3.806 3.806 . 0 0 "[ ]" 1
398 1 74 THR HA 1 75 VAL H 2.500 . 2.900 2.143 2.143 2.143 . 0 0 "[ ]" 1
399 1 74 THR HA 1 84 CYS H 3.000 . 3.500 3.472 3.472 3.472 . 0 0 "[ ]" 1
400 1 74 THR HB 1 75 VAL H 3.000 . 3.500 3.535 3.535 3.535 0.035 1 0 "[ ]" 1
401 1 74 THR MG 1 75 VAL H 3.000 . 4.000 3.089 3.089 3.089 . 0 0 "[ ]" 1
402 1 75 VAL H 1 75 VAL HA 3.000 . 3.500 2.944 2.944 2.944 . 0 0 "[ ]" 1
403 1 75 VAL H 1 75 VAL HB 3.000 . 3.500 2.942 2.942 2.942 . 0 0 "[ ]" 1
404 1 75 VAL H 1 82 ASP H 3.000 . 3.500 3.585 3.585 3.585 0.085 1 0 "[ ]" 1
405 1 75 VAL H 1 83 GLN HA 3.000 . 3.500 2.763 2.763 2.763 . 0 0 "[ ]" 1
406 1 75 VAL HA 1 76 ARG H 2.500 . 2.900 2.256 2.256 2.256 . 0 0 "[ ]" 1
407 1 75 VAL HB 1 76 ARG H 3.000 . 3.500 3.667 3.667 3.667 0.167 1 0 "[ ]" 1
408 1 76 ARG H 1 76 ARG QB 3.000 . 3.500 2.755 2.755 2.755 . 0 0 "[ ]" 1
409 1 76 ARG HA 1 77 ASN H 2.500 . 2.900 2.201 2.201 2.201 . 0 0 "[ ]" 1
410 1 76 ARG HA 1 81 SER HA 3.000 . 3.500 1.978 1.978 1.978 . 0 0 "[ ]" 1
411 1 76 ARG HA 1 82 ASP H 3.000 . 3.500 3.228 3.228 3.228 . 0 0 "[ ]" 1
412 1 76 ARG QB 1 77 ASN H 3.000 . 3.500 3.625 3.625 3.625 0.125 1 0 "[ ]" 1
413 1 77 ASN H 1 77 ASN HA 3.000 . 3.500 2.943 2.943 2.943 . 0 0 "[ ]" 1
414 1 77 ASN H 1 77 ASN QB 3.000 . 3.500 2.569 2.569 2.569 . 0 0 "[ ]" 1
415 1 77 ASN H 1 79 VAL H 4.000 . 5.000 4.821 4.821 4.821 . 0 0 "[ ]" 1
416 1 77 ASN H 1 80 GLY H 4.000 . 5.000 4.302 4.302 4.302 . 0 0 "[ ]" 1
417 1 77 ASN H 1 81 SER HA 3.000 . 3.500 1.874 1.874 1.874 . 0 0 "[ ]" 1
418 1 77 ASN H 1 81 SER QB 4.000 . 5.000 2.165 2.165 2.165 . 0 0 "[ ]" 1
419 1 77 ASN HA 1 78 ARG H 3.000 . 3.500 2.228 2.228 2.228 . 0 0 "[ ]" 1
420 1 77 ASN HA 1 79 VAL H 4.000 . 5.000 3.876 3.876 3.876 . 0 0 "[ ]" 1
421 1 77 ASN QB 1 78 ARG H 3.000 . 3.500 3.541 3.541 3.541 0.041 1 0 "[ ]" 1
422 1 77 ASN QB 1 79 VAL H 3.000 . 3.500 2.842 2.842 2.842 . 0 0 "[ ]" 1
423 1 78 ARG H 1 78 ARG QB 3.000 . 3.500 2.481 2.481 2.481 . 0 0 "[ ]" 1
424 1 78 ARG H 1 79 VAL H 3.000 . 3.500 2.730 2.730 2.730 . 0 0 "[ ]" 1
425 1 78 ARG HA 1 79 VAL H 3.000 . 3.500 3.461 3.461 3.461 . 0 0 "[ ]" 1
426 1 78 ARG QB 1 79 VAL H 3.000 . 3.500 2.697 2.697 2.697 . 0 0 "[ ]" 1
427 1 79 VAL H 1 79 VAL HA 3.000 . 3.500 2.924 2.924 2.924 . 0 0 "[ ]" 1
428 1 79 VAL H 1 79 VAL HB 3.000 . 3.500 3.631 3.631 3.631 0.131 1 0 "[ ]" 1
429 1 79 VAL H 1 79 VAL QG 3.000 . 3.500 1.936 1.936 1.936 . 0 0 "[ ]" 1
430 1 79 VAL H 1 80 GLY H 3.000 . 3.500 3.274 3.274 3.274 . 0 0 "[ ]" 1
431 1 79 VAL HA 1 80 GLY H 2.500 . 2.900 2.646 2.646 2.646 . 0 0 "[ ]" 1
432 1 79 VAL HB 1 80 GLY H 4.000 . 5.000 4.385 4.385 4.385 . 0 0 "[ ]" 1
433 1 79 VAL QG 1 80 GLY H 3.000 . 3.500 3.637 3.637 3.637 0.137 1 0 "[ ]" 1
434 1 80 GLY QA 1 81 SER H 2.500 . 2.900 2.478 2.478 2.478 . 0 0 "[ ]" 1
435 1 81 SER H 1 81 SER HA 3.000 . 3.500 2.940 2.940 2.940 . 0 0 "[ ]" 1
436 1 81 SER H 1 81 SER QB 3.000 . 3.500 2.956 2.956 2.956 . 0 0 "[ ]" 1
437 1 81 SER HA 1 82 ASP H 2.500 . 2.900 2.166 2.166 2.166 . 0 0 "[ ]" 1
438 1 81 SER QB 1 82 ASP H 3.000 . 3.500 3.521 3.521 3.521 0.021 1 0 "[ ]" 1
439 1 82 ASP H 1 82 ASP HA 3.000 . 3.500 2.911 2.911 2.911 . 0 0 "[ ]" 1
440 1 82 ASP H 1 82 ASP QB 3.000 . 3.500 2.874 2.874 2.874 . 0 0 "[ ]" 1
441 1 82 ASP HA 1 83 GLN H 2.500 . 2.900 2.695 2.695 2.695 . 0 0 "[ ]" 1
442 1 82 ASP QB 1 83 GLN H 3.000 . 3.500 1.936 1.936 1.936 . 0 0 "[ ]" 1
443 1 83 GLN H 1 83 GLN HA 3.000 . 3.500 2.944 2.944 2.944 . 0 0 "[ ]" 1
444 1 83 GLN H 1 83 GLN QB 3.000 . 3.500 2.633 2.633 2.633 . 0 0 "[ ]" 1
445 1 83 GLN HA 1 84 CYS H 2.500 . 2.900 2.651 2.651 2.651 . 0 0 "[ ]" 1
446 1 84 CYS HA 1 85 LEU H 2.500 . 2.900 2.376 2.376 2.376 . 0 0 "[ ]" 1
447 1 85 LEU H 1 85 LEU HA 3.000 . 3.500 2.946 2.946 2.946 . 0 0 "[ ]" 1
448 1 85 LEU HA 1 86 LEU H 2.500 . 2.900 2.138 2.138 2.138 . 0 0 "[ ]" 1
449 1 86 LEU H 1 86 LEU HA 3.000 . 3.500 2.948 2.948 2.948 . 0 0 "[ ]" 1
450 1 86 LEU HA 1 87 ARG H 2.500 . 2.900 2.362 2.362 2.362 . 0 0 "[ ]" 1
451 1 87 ARG HA 1 88 LEU H 2.500 . 2.900 2.204 2.204 2.204 . 0 0 "[ ]" 1
452 1 88 LEU H 1 88 LEU HA 3.000 . 3.500 2.943 2.943 2.943 . 0 0 "[ ]" 1
453 1 88 LEU HA 1 89 ASN H 2.500 . 2.900 2.312 2.312 2.312 . 0 0 "[ ]" 1
454 1 89 ASN H 1 89 ASN HA 3.000 . 3.500 2.924 2.924 2.924 . 0 0 "[ ]" 1
455 1 89 ASN HA 1 90 VAL H 2.500 . 2.900 2.126 2.126 2.126 . 0 0 "[ ]" 1
456 1 90 VAL H 1 90 VAL HA 3.000 . 3.500 2.926 2.926 2.926 . 0 0 "[ ]" 1
457 1 90 VAL HA 1 91 VAL H 2.500 . 2.900 2.142 2.142 2.142 . 0 0 "[ ]" 1
458 1 91 VAL H 1 91 VAL HA 3.000 . 3.500 2.904 2.904 2.904 . 0 0 "[ ]" 1
459 1 93 PRO HA 1 94 SER H 2.500 . 2.900 2.155 2.155 2.155 . 0 0 "[ ]" 1
460 1 94 SER HA 1 95 ASN H 2.500 . 2.900 2.208 2.208 2.208 . 0 0 "[ ]" 1
461 1 95 ASN HA 1 96 LYS H 2.500 . 2.900 2.263 2.263 2.263 . 0 0 "[ ]" 1
462 1 96 LYS H 1 96 LYS HA 3.000 . 3.500 2.943 2.943 2.943 . 0 0 "[ ]" 1
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