NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400251 |
1umq   |
5920 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1umq
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 651
_Distance_constraint_stats_list.Viol_count 389
_Distance_constraint_stats_list.Viol_total 260.688
_Distance_constraint_stats_list.Viol_max 4.078
_Distance_constraint_stats_list.Viol_rms 0.1010
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0160
_Distance_constraint_stats_list.Viol_average_violations_only 0.1340
_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 22 LEU 0.014 0.014 5 0 "[ .]"
1 23 ALA 0.133 0.093 1 0 "[ .]"
1 24 LYS 0.118 0.066 2 0 "[ .]"
1 25 GLY 0.026 0.026 1 0 "[ .]"
1 26 GLU 0.093 0.093 1 0 "[ .]"
1 27 SER 0.066 0.066 2 0 "[ .]"
1 28 LEU 0.008 0.008 3 0 "[ .]"
1 29 PRO 1.046 0.178 1 0 "[ .]"
1 30 PRO 0.160 0.052 3 0 "[ .]"
1 32 PRO 0.157 0.157 1 0 "[ .]"
1 33 GLU 0.226 0.157 1 0 "[ .]"
1 34 ASN 0.248 0.075 3 0 "[ .]"
1 35 PRO 0.887 0.231 2 0 "[ .]"
1 36 MET 0.287 0.116 3 0 "[ .]"
1 37 SER 0.733 0.182 4 0 "[ .]"
1 38 ALA 1.054 0.195 1 0 "[ .]"
1 39 ASP 1.342 0.195 1 0 "[ .]"
1 40 ARG 1.320 0.182 4 0 "[ .]"
1 41 VAL 0.560 0.186 2 0 "[ .]"
1 42 ARG 0.694 0.186 2 0 "[ .]"
1 43 TRP 3.691 0.275 1 0 "[ .]"
1 44 GLU 0.000 0.000 . 0 "[ .]"
1 45 HIS 6.763 1.308 4 3 "[ -+*]"
1 46 ILE 4.817 0.284 2 0 "[ .]"
1 47 GLN 2.503 0.248 2 0 "[ .]"
1 48 ARG 2.463 0.248 2 0 "[ .]"
1 49 ILE 3.834 0.157 2 0 "[ .]"
1 50 TYR 0.157 0.064 2 0 "[ .]"
1 51 GLU 0.486 0.127 5 0 "[ .]"
1 52 MET 0.903 0.181 2 0 "[ .]"
1 53 CYS 0.549 0.143 3 0 "[ .]"
1 54 ASP 0.000 0.000 . 0 "[ .]"
1 55 ARG 0.857 0.278 2 0 "[ .]"
1 56 ASN 0.000 0.000 . 0 "[ .]"
1 57 VAL 0.048 0.048 2 0 "[ .]"
1 58 SER 0.027 0.027 5 0 "[ .]"
1 59 GLU 6.702 1.428 1 4 "[+* -*]"
1 60 THR 1.761 0.417 2 0 "[ .]"
1 61 ALA 7.076 1.428 1 4 "[+* -*]"
1 62 ARG 0.394 0.126 5 0 "[ .]"
1 63 ARG 3.515 0.282 5 0 "[ .]"
1 64 LEU 9.050 1.308 4 3 "[ -+*]"
1 65 ASN 1.451 1.001 4 1 "[ +.]"
1 66 MET 5.924 1.001 4 1 "[ +.]"
1 67 HIS 1.066 0.223 1 0 "[ .]"
1 68 ARG 0.085 0.036 4 0 "[ .]"
1 69 ARG 0.402 0.267 3 0 "[ .]"
1 70 THR 1.649 0.301 1 0 "[ .]"
1 71 LEU 2.816 0.307 2 0 "[ .]"
1 72 GLN 1.655 0.276 3 0 "[ .]"
1 73 ARG 0.638 0.118 4 0 "[ .]"
1 74 ILE 3.401 0.222 5 0 "[ .]"
1 75 LEU 1.104 0.151 2 0 "[ .]"
1 76 ALA 1.574 0.276 3 0 "[ .]"
1 77 LYS 4.966 4.078 1 1 "[+ .]"
1 78 ARG 1.010 0.299 2 0 "[ .]"
1 79 SER 0.752 0.678 5 1 "[ +]"
1 80 PRO 1.079 0.678 5 1 "[ +]"
1 81 ARG 4.663 4.078 1 1 "[+ .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 22 LEU HA 1 22 LEU QB 2.800 . 2.800 2.304 2.164 2.450 . 0 0 "[ .]" 1
2 1 22 LEU HA 1 22 LEU QD 3.800 . 3.800 2.721 1.827 3.425 . 0 0 "[ .]" 1
3 1 22 LEU HA 1 22 LEU HG 3.800 . 3.800 3.349 2.504 3.714 . 0 0 "[ .]" 1
4 1 22 LEU HA 1 23 ALA H 3.800 . 3.800 2.936 2.173 3.552 . 0 0 "[ .]" 1
5 1 22 LEU QB 1 22 LEU QD 2.800 . 2.800 1.947 1.902 2.064 . 0 0 "[ .]" 1
6 1 22 LEU QB 1 22 LEU HG 2.800 . 2.800 2.367 2.164 2.454 . 0 0 "[ .]" 1
7 1 22 LEU QB 1 23 ALA H 3.800 . 3.800 2.359 1.786 2.907 0.014 5 0 "[ .]" 1
8 1 23 ALA HA 1 24 LYS H 3.800 . 3.800 2.403 2.133 2.913 . 0 0 "[ .]" 1
9 1 23 ALA MB 1 24 LYS H 5.000 . 5.000 2.546 1.774 3.350 0.026 5 0 "[ .]" 1
10 1 23 ALA MB 1 26 GLU H 5.000 . 5.000 4.014 3.534 5.093 0.093 1 0 "[ .]" 1
11 1 24 LYS H 1 24 LYS QG 5.000 . 5.000 2.989 2.450 3.945 . 0 0 "[ .]" 1
12 1 24 LYS HA 1 24 LYS QD 5.000 . 5.000 3.724 2.146 4.241 . 0 0 "[ .]" 1
13 1 24 LYS HA 1 24 LYS QG 3.800 . 3.800 2.517 2.336 2.974 . 0 0 "[ .]" 1
14 1 24 LYS HA 1 25 GLY H 3.800 . 3.800 2.815 2.124 3.533 . 0 0 "[ .]" 1
15 1 24 LYS HA 1 27 SER H 5.000 . 5.000 4.371 3.768 5.066 0.066 2 0 "[ .]" 1
16 1 24 LYS QB 1 24 LYS QD 2.800 . 2.800 2.264 2.116 2.320 . 0 0 "[ .]" 1
17 1 24 LYS QB 1 25 GLY H 5.000 . 5.000 2.774 1.774 3.535 0.026 1 0 "[ .]" 1
18 1 24 LYS QG 1 25 GLY H 5.000 . 5.000 4.135 3.713 4.616 . 0 0 "[ .]" 1
19 1 25 GLY H 1 26 GLU H 5.000 . 5.000 3.198 2.589 4.330 . 0 0 "[ .]" 1
20 1 25 GLY QA 1 26 GLU H 5.000 . 5.000 2.612 2.130 2.902 . 0 0 "[ .]" 1
21 1 26 GLU H 1 26 GLU QG 5.000 . 5.000 2.946 1.929 4.015 . 0 0 "[ .]" 1
22 1 26 GLU HA 1 26 GLU QG 3.800 . 3.800 3.063 2.784 3.349 . 0 0 "[ .]" 1
23 1 26 GLU HA 1 27 SER H 3.800 . 3.800 3.367 2.948 3.550 . 0 0 "[ .]" 1
24 1 26 GLU QB 1 27 SER H 5.000 . 5.000 3.058 1.991 3.812 . 0 0 "[ .]" 1
25 1 26 GLU QG 1 27 SER H 5.000 . 5.000 3.258 2.182 4.582 . 0 0 "[ .]" 1
26 1 27 SER HA 1 27 SER QB 2.800 . 2.800 2.366 2.345 2.384 . 0 0 "[ .]" 1
27 1 27 SER HA 1 28 LEU H 3.800 . 3.800 2.727 2.099 3.498 . 0 0 "[ .]" 1
28 1 27 SER QB 1 28 LEU H 5.000 . 5.000 3.328 2.642 3.842 . 0 0 "[ .]" 1
29 1 28 LEU H 1 28 LEU QB 3.800 . 3.800 2.515 2.296 3.001 . 0 0 "[ .]" 1
30 1 28 LEU H 1 28 LEU QD 5.000 . 5.000 3.123 2.041 3.935 . 0 0 "[ .]" 1
31 1 28 LEU H 1 28 LEU HG 5.000 . 5.000 4.359 3.657 4.902 . 0 0 "[ .]" 1
32 1 28 LEU HA 1 29 PRO QD 2.800 . 2.800 1.918 1.792 2.203 0.008 3 0 "[ .]" 1
33 1 28 LEU QB 1 28 LEU QD 2.800 . 2.800 1.955 1.904 2.060 . 0 0 "[ .]" 1
34 1 28 LEU QB 1 28 LEU HG 2.800 . 2.800 2.354 2.166 2.436 . 0 0 "[ .]" 1
35 1 28 LEU QB 1 29 PRO QD 3.800 . 3.800 3.105 1.941 3.758 . 0 0 "[ .]" 1
36 1 28 LEU QD 1 29 PRO QD 3.800 . 3.800 2.539 1.832 3.114 . 0 0 "[ .]" 1
37 1 29 PRO HA 1 29 PRO QD 2.800 . 2.800 2.959 2.919 2.978 0.178 1 0 "[ .]" 1
38 1 29 PRO HA 1 29 PRO QG 2.800 . 2.800 2.840 2.830 2.860 0.060 4 0 "[ .]" 1
39 1 29 PRO HA 1 30 PRO QD 2.800 . 2.800 1.834 1.777 1.954 0.023 5 0 "[ .]" 1
40 1 30 PRO QB 1 30 PRO QD 2.800 . 2.800 2.819 2.779 2.852 0.052 3 0 "[ .]" 1
41 1 32 PRO HA 1 32 PRO QD 3.800 . 3.800 3.355 3.266 3.397 . 0 0 "[ .]" 1
42 1 32 PRO HA 1 32 PRO QG 3.800 . 3.800 3.259 2.875 3.504 . 0 0 "[ .]" 1
43 1 32 PRO HA 1 33 GLU H 3.800 . 3.800 2.835 2.142 3.562 . 0 0 "[ .]" 1
44 1 32 PRO QB 1 33 GLU H 3.800 . 3.800 3.096 2.325 3.957 0.157 1 0 "[ .]" 1
45 1 32 PRO QD 1 33 GLU H 5.000 . 5.000 3.818 2.576 4.944 . 0 0 "[ .]" 1
46 1 33 GLU H 1 33 GLU QG 5.000 . 5.000 2.445 1.915 2.951 . 0 0 "[ .]" 1
47 1 33 GLU HA 1 34 ASN H 3.800 . 3.800 2.827 2.272 3.503 . 0 0 "[ .]" 1
48 1 33 GLU QB 1 34 ASN H 5.000 . 5.000 2.548 1.731 3.807 0.069 2 0 "[ .]" 1
49 1 33 GLU QG 1 34 ASN H 5.000 . 5.000 4.022 3.761 4.359 . 0 0 "[ .]" 1
50 1 34 ASN H 1 34 ASN QD 5.000 . 5.000 4.241 3.290 4.802 . 0 0 "[ .]" 1
51 1 34 ASN H 1 35 PRO QD 5.000 . 5.000 4.296 4.203 4.394 . 0 0 "[ .]" 1
52 1 34 ASN H 1 37 SER QB 5.000 . 5.000 4.759 4.259 5.029 0.029 2 0 "[ .]" 1
53 1 34 ASN HA 1 35 PRO QD 2.800 . 2.800 1.921 1.763 2.285 0.037 5 0 "[ .]" 1
54 1 34 ASN QB 1 35 PRO QD 5.000 . 5.000 2.769 1.725 3.447 0.075 3 0 "[ .]" 1
55 1 34 ASN QB 1 35 PRO QG 5.000 . 5.000 3.718 2.733 4.597 . 0 0 "[ .]" 1
56 1 34 ASN QB 1 36 MET H 5.000 . 5.000 3.010 2.273 3.596 . 0 0 "[ .]" 1
57 1 35 PRO HA 1 35 PRO QD 2.800 . 2.800 2.950 2.893 3.031 0.231 2 0 "[ .]" 1
58 1 35 PRO HA 1 35 PRO QG 3.800 . 3.800 3.412 3.376 3.454 . 0 0 "[ .]" 1
59 1 35 PRO HA 1 36 MET H 3.800 . 3.800 3.551 3.503 3.575 . 0 0 "[ .]" 1
60 1 35 PRO QB 1 36 MET H 5.000 . 5.000 2.775 2.658 3.029 . 0 0 "[ .]" 1
61 1 35 PRO QD 1 36 MET H 5.000 . 5.000 3.381 3.155 3.503 . 0 0 "[ .]" 1
62 1 35 PRO QG 1 36 MET H 3.800 . 3.800 2.768 2.381 2.986 . 0 0 "[ .]" 1
63 1 36 MET H 1 36 MET QB 3.800 . 3.800 2.411 2.172 2.918 . 0 0 "[ .]" 1
64 1 36 MET H 1 36 MET QG 5.000 . 5.000 3.158 2.087 4.075 . 0 0 "[ .]" 1
65 1 36 MET H 1 41 VAL QG 5.000 . 5.000 4.509 4.146 4.976 . 0 0 "[ .]" 1
66 1 36 MET HA 1 36 MET QG 3.800 . 3.800 2.720 2.392 3.348 . 0 0 "[ .]" 1
67 1 36 MET HA 1 37 SER H 5.000 . 5.000 2.911 2.273 3.554 . 0 0 "[ .]" 1
68 1 36 MET QB 1 37 SER H 5.000 . 5.000 3.408 2.302 3.865 . 0 0 "[ .]" 1
69 1 36 MET QB 1 41 VAL QG 2.800 . 2.800 2.500 2.170 2.895 0.095 4 0 "[ .]" 1
70 1 36 MET QG 1 40 ARG QB 5.000 . 5.000 4.574 2.693 5.116 0.116 3 0 "[ .]" 1
71 1 36 MET QG 1 41 VAL QG 5.000 . 5.000 3.369 3.000 3.727 . 0 0 "[ .]" 1
72 1 37 SER H 1 38 ALA H 5.000 . 5.000 4.314 3.944 4.633 . 0 0 "[ .]" 1
73 1 37 SER HA 1 37 SER QB 2.800 . 2.800 2.372 2.335 2.394 . 0 0 "[ .]" 1
74 1 37 SER HA 1 38 ALA H 5.000 . 5.000 2.319 2.152 2.501 . 0 0 "[ .]" 1
75 1 37 SER HA 1 38 ALA MB 5.000 . 5.000 4.080 4.003 4.229 . 0 0 "[ .]" 1
76 1 37 SER HA 1 39 ASP H 5.000 . 5.000 4.176 3.650 4.522 . 0 0 "[ .]" 1
77 1 37 SER HA 1 40 ARG H 5.000 . 5.000 4.280 4.157 4.450 . 0 0 "[ .]" 1
78 1 37 SER HA 1 41 VAL H 5.000 . 5.000 4.841 4.569 5.056 0.056 3 0 "[ .]" 1
79 1 37 SER QB 1 38 ALA H 5.000 . 5.000 3.268 3.021 3.580 . 0 0 "[ .]" 1
80 1 37 SER QB 1 39 ASP H 5.000 . 5.000 3.383 2.721 3.937 . 0 0 "[ .]" 1
81 1 37 SER QB 1 40 ARG H 5.000 . 5.000 2.270 1.945 2.614 . 0 0 "[ .]" 1
82 1 37 SER QB 1 40 ARG HA 3.800 . 3.800 3.925 3.868 3.982 0.182 4 0 "[ .]" 1
83 1 38 ALA H 1 39 ASP H 5.000 . 5.000 2.503 2.400 2.603 . 0 0 "[ .]" 1
84 1 38 ALA H 1 39 ASP HA 5.000 . 5.000 5.116 5.059 5.195 0.195 1 0 "[ .]" 1
85 1 38 ALA HA 1 39 ASP H 5.000 . 5.000 3.505 3.455 3.564 . 0 0 "[ .]" 1
86 1 38 ALA HA 1 41 VAL H 5.000 . 5.000 3.826 3.498 4.273 . 0 0 "[ .]" 1
87 1 38 ALA HA 1 41 VAL HB 3.800 . 3.800 3.438 2.839 3.836 0.036 2 0 "[ .]" 1
88 1 38 ALA HA 1 41 VAL QG 3.800 . 3.800 3.063 2.122 3.964 0.164 4 0 "[ .]" 1
89 1 38 ALA MB 1 39 ASP H 5.000 . 5.000 2.531 2.183 2.726 . 0 0 "[ .]" 1
90 1 38 ALA MB 1 39 ASP HA 3.800 . 3.800 3.855 3.815 3.880 0.080 2 0 "[ .]" 1
91 1 38 ALA MB 1 39 ASP QB 5.000 . 5.000 3.830 3.537 4.243 . 0 0 "[ .]" 1
92 1 38 ALA MB 1 40 ARG H 5.000 . 5.000 4.410 4.078 4.651 . 0 0 "[ .]" 1
93 1 38 ALA MB 1 41 VAL H 5.000 . 5.000 4.837 4.695 4.942 . 0 0 "[ .]" 1
94 1 39 ASP H 1 39 ASP QB 3.800 . 3.800 2.295 2.273 2.345 . 0 0 "[ .]" 1
95 1 39 ASP H 1 40 ARG H 5.000 . 5.000 2.400 2.227 2.521 . 0 0 "[ .]" 1
96 1 39 ASP H 1 42 ARG H 5.000 . 5.000 4.751 4.609 4.873 . 0 0 "[ .]" 1
97 1 39 ASP HA 1 39 ASP QB 2.800 . 2.800 2.432 2.404 2.481 . 0 0 "[ .]" 1
98 1 39 ASP HA 1 40 ARG H 5.000 . 5.000 3.500 3.443 3.543 . 0 0 "[ .]" 1
99 1 39 ASP HA 1 41 VAL H 5.000 . 5.000 4.439 4.240 4.636 . 0 0 "[ .]" 1
100 1 39 ASP HA 1 42 ARG H 5.000 . 5.000 3.385 3.129 3.602 . 0 0 "[ .]" 1
101 1 39 ASP HA 1 42 ARG QB 3.800 . 3.800 2.711 2.422 2.882 . 0 0 "[ .]" 1
102 1 39 ASP QB 1 40 ARG H 5.000 . 5.000 2.661 2.419 2.877 . 0 0 "[ .]" 1
103 1 39 ASP QB 1 40 ARG HA 3.800 . 3.800 3.897 3.851 3.930 0.130 3 0 "[ .]" 1
104 1 40 ARG H 1 40 ARG QD 5.000 . 5.000 4.228 3.947 4.418 . 0 0 "[ .]" 1
105 1 40 ARG H 1 40 ARG QG 5.000 . 5.000 3.501 2.424 4.039 . 0 0 "[ .]" 1
106 1 40 ARG H 1 41 VAL H 5.000 . 5.000 2.678 2.575 2.715 . 0 0 "[ .]" 1
107 1 40 ARG H 1 41 VAL QG 5.000 . 5.000 4.103 3.973 4.213 . 0 0 "[ .]" 1
108 1 40 ARG HA 1 40 ARG QG 3.800 . 3.800 2.542 2.360 3.000 . 0 0 "[ .]" 1
109 1 40 ARG HA 1 42 ARG H 5.000 . 5.000 4.223 3.975 4.396 . 0 0 "[ .]" 1
110 1 40 ARG HA 1 43 TRP H 5.000 . 5.000 3.346 3.051 3.623 . 0 0 "[ .]" 1
111 1 40 ARG HA 1 44 GLU H 5.000 . 5.000 3.930 3.763 4.241 . 0 0 "[ .]" 1
112 1 40 ARG QB 1 40 ARG HE 5.000 . 5.000 3.386 2.266 4.058 . 0 0 "[ .]" 1
113 1 40 ARG QB 1 41 VAL H 5.000 . 5.000 2.593 2.470 2.761 . 0 0 "[ .]" 1
114 1 40 ARG QB 1 41 VAL HA 5.000 . 5.000 4.060 3.888 4.166 . 0 0 "[ .]" 1
115 1 40 ARG QD 1 41 VAL H 5.000 . 5.000 4.456 3.359 5.009 0.009 2 0 "[ .]" 1
116 1 41 VAL HA 1 41 VAL QG 2.800 . 2.800 2.152 2.129 2.219 . 0 0 "[ .]" 1
117 1 41 VAL HA 1 42 ARG H 5.000 . 5.000 3.520 3.447 3.549 . 0 0 "[ .]" 1
118 1 41 VAL HA 1 44 GLU H 5.000 . 5.000 3.606 3.510 3.708 . 0 0 "[ .]" 1
119 1 41 VAL HA 1 45 HIS H 5.000 . 5.000 4.623 4.279 4.849 . 0 0 "[ .]" 1
120 1 41 VAL QG 1 42 ARG H 5.000 . 5.000 3.028 2.287 3.281 . 0 0 "[ .]" 1
121 1 41 VAL QG 1 42 ARG QG 3.800 . 3.800 3.674 3.530 3.986 0.186 2 0 "[ .]" 1
122 1 42 ARG H 1 42 ARG QD 5.000 . 5.000 4.393 4.294 4.624 . 0 0 "[ .]" 1
123 1 42 ARG H 1 42 ARG QG 5.000 . 5.000 2.681 2.327 3.928 . 0 0 "[ .]" 1
124 1 42 ARG H 1 43 TRP H 5.000 . 5.000 2.651 2.493 2.734 . 0 0 "[ .]" 1
125 1 42 ARG HA 1 42 ARG QD 3.800 . 3.800 3.879 3.811 3.937 0.137 2 0 "[ .]" 1
126 1 42 ARG HA 1 43 TRP H 5.000 . 5.000 3.557 3.543 3.572 . 0 0 "[ .]" 1
127 1 42 ARG QB 1 42 ARG HE 5.000 . 5.000 2.092 1.925 2.216 . 0 0 "[ .]" 1
128 1 42 ARG QB 1 43 TRP H 5.000 . 5.000 2.399 2.327 2.451 . 0 0 "[ .]" 1
129 1 42 ARG QD 1 66 MET ME 3.800 . 3.800 3.726 3.523 3.829 0.029 3 0 "[ .]" 1
130 1 42 ARG HE 1 46 ILE MD 5.000 . 5.000 4.533 3.513 5.046 0.046 4 0 "[ .]" 1
131 1 42 ARG QG 1 43 TRP H 5.000 . 5.000 3.961 3.701 4.100 . 0 0 "[ .]" 1
132 1 43 TRP H 1 44 GLU H 5.000 . 5.000 2.707 2.649 2.790 . 0 0 "[ .]" 1
133 1 43 TRP HA 1 43 TRP HE3 5.000 . 5.000 2.097 2.051 2.159 . 0 0 "[ .]" 1
134 1 43 TRP HA 1 44 GLU H 5.000 . 5.000 3.530 3.507 3.541 . 0 0 "[ .]" 1
135 1 43 TRP HA 1 44 GLU HA 5.000 . 5.000 4.824 4.781 4.847 . 0 0 "[ .]" 1
136 1 43 TRP HA 1 46 ILE H 5.000 . 5.000 3.197 3.133 3.292 . 0 0 "[ .]" 1
137 1 43 TRP HA 1 46 ILE HB 3.800 . 3.800 2.779 2.667 2.905 . 0 0 "[ .]" 1
138 1 43 TRP HA 1 46 ILE MD 3.800 . 3.800 2.046 1.782 2.170 0.018 5 0 "[ .]" 1
139 1 43 TRP HA 1 46 ILE MG 3.800 . 3.800 3.927 3.870 3.983 0.183 4 0 "[ .]" 1
140 1 43 TRP HA 1 74 ILE MG 5.000 . 5.000 3.507 3.469 3.584 . 0 0 "[ .]" 1
141 1 43 TRP QB 1 44 GLU H 5.000 . 5.000 2.665 2.598 2.752 . 0 0 "[ .]" 1
142 1 43 TRP QB 1 46 ILE MD 3.800 . 3.800 3.741 3.640 3.809 0.009 3 0 "[ .]" 1
143 1 43 TRP QB 1 74 ILE MG 5.000 . 5.000 4.256 4.160 4.335 . 0 0 "[ .]" 1
144 1 43 TRP HD1 1 74 ILE MG 3.800 . 3.800 3.970 3.915 3.999 0.199 1 0 "[ .]" 1
145 1 43 TRP HE1 1 47 GLN QE 5.000 . 5.000 5.116 5.103 5.142 0.142 1 0 "[ .]" 1
146 1 43 TRP HE1 1 74 ILE MG 5.000 . 5.000 3.095 2.996 3.245 . 0 0 "[ .]" 1
147 1 43 TRP HE1 1 78 ARG QG 5.000 . 5.000 3.659 3.204 5.017 0.017 4 0 "[ .]" 1
148 1 43 TRP HE3 1 46 ILE MD 3.800 . 3.800 2.577 2.402 2.674 . 0 0 "[ .]" 1
149 1 43 TRP HE3 1 46 ILE MG 3.800 . 3.800 3.212 3.166 3.353 . 0 0 "[ .]" 1
150 1 43 TRP HE3 1 74 ILE MG 3.800 . 3.800 3.793 3.666 3.849 0.049 4 0 "[ .]" 1
151 1 43 TRP HH2 1 46 ILE MD 3.800 . 3.800 4.056 4.014 4.075 0.275 1 0 "[ .]" 1
152 1 43 TRP HH2 1 74 ILE MG 3.800 . 3.800 3.092 3.037 3.138 . 0 0 "[ .]" 1
153 1 43 TRP HH2 1 75 LEU QD 3.800 . 3.800 1.761 1.715 1.809 0.085 5 0 "[ .]" 1
154 1 43 TRP HZ2 1 74 ILE MG 3.800 . 3.800 2.692 2.552 2.807 . 0 0 "[ .]" 1
155 1 43 TRP HZ3 1 46 ILE MG 3.800 . 3.800 2.191 2.093 2.368 . 0 0 "[ .]" 1
156 1 43 TRP HZ3 1 74 ILE MG 3.800 . 3.800 3.698 3.643 3.777 . 0 0 "[ .]" 1
157 1 43 TRP HZ3 1 75 LEU QD 3.800 . 3.800 2.759 2.634 2.971 . 0 0 "[ .]" 1
158 1 44 GLU H 1 44 GLU QG 5.000 . 5.000 3.998 3.959 4.040 . 0 0 "[ .]" 1
159 1 44 GLU H 1 45 HIS H 5.000 . 5.000 2.689 2.657 2.723 . 0 0 "[ .]" 1
160 1 44 GLU H 1 47 GLN H 5.000 . 5.000 4.854 4.790 4.942 . 0 0 "[ .]" 1
161 1 44 GLU HA 1 44 GLU QG 3.800 . 3.800 2.632 2.420 2.915 . 0 0 "[ .]" 1
162 1 44 GLU HA 1 45 HIS H 5.000 . 5.000 3.503 3.471 3.517 . 0 0 "[ .]" 1
163 1 44 GLU HA 1 46 ILE H 5.000 . 5.000 4.384 4.313 4.439 . 0 0 "[ .]" 1
164 1 44 GLU HA 1 47 GLN H 5.000 . 5.000 3.575 3.450 3.656 . 0 0 "[ .]" 1
165 1 44 GLU HA 1 47 GLN QB 5.000 . 5.000 2.907 2.329 3.114 . 0 0 "[ .]" 1
166 1 44 GLU HA 1 47 GLN QG 3.800 . 3.800 3.403 3.299 3.694 . 0 0 "[ .]" 1
167 1 44 GLU HA 1 48 ARG H 5.000 . 5.000 4.363 4.265 4.452 . 0 0 "[ .]" 1
168 1 44 GLU QB 1 45 HIS H 5.000 . 5.000 2.818 2.707 2.996 . 0 0 "[ .]" 1
169 1 44 GLU QG 1 48 ARG QG 5.000 . 5.000 3.813 3.499 4.236 . 0 0 "[ .]" 1
170 1 45 HIS H 1 46 ILE H 5.000 . 5.000 2.267 2.141 2.428 . 0 0 "[ .]" 1
171 1 45 HIS H 1 46 ILE MD 5.000 . 5.000 4.792 4.657 4.969 . 0 0 "[ .]" 1
172 1 45 HIS H 1 46 ILE QG 5.000 . 5.000 3.397 3.231 3.573 . 0 0 "[ .]" 1
173 1 45 HIS H 1 47 GLN H 5.000 . 5.000 3.793 3.484 3.934 . 0 0 "[ .]" 1
174 1 45 HIS H 1 64 LEU QD 5.000 . 5.000 3.590 3.060 4.389 . 0 0 "[ .]" 1
175 1 45 HIS H 1 64 LEU HG 5.000 . 5.000 5.841 5.423 6.308 1.308 4 3 "[ -+*]" 1
176 1 45 HIS HA 1 46 ILE H 5.000 . 5.000 3.491 3.466 3.521 . 0 0 "[ .]" 1
177 1 45 HIS HA 1 48 ARG H 5.000 . 5.000 3.517 3.419 3.601 . 0 0 "[ .]" 1
178 1 45 HIS HA 1 48 ARG QB 3.800 . 3.800 3.907 3.837 3.990 0.190 2 0 "[ .]" 1
179 1 45 HIS QB 1 46 ILE H 5.000 . 5.000 2.641 2.467 2.735 . 0 0 "[ .]" 1
180 1 45 HIS QB 1 46 ILE QG 5.000 . 5.000 3.211 3.039 3.404 . 0 0 "[ .]" 1
181 1 45 HIS HD2 1 49 ILE MD 5.000 . 5.000 5.127 5.104 5.142 0.142 1 0 "[ .]" 1
182 1 45 HIS HD2 1 49 ILE MG 5.000 . 5.000 2.782 2.682 2.929 . 0 0 "[ .]" 1
183 1 45 HIS HD2 1 64 LEU QD 3.800 . 3.800 1.761 1.715 1.841 0.085 1 0 "[ .]" 1
184 1 45 HIS HD2 1 71 LEU QD 5.000 . 5.000 5.231 5.163 5.307 0.307 2 0 "[ .]" 1
185 1 46 ILE H 1 46 ILE MD 5.000 . 5.000 3.543 3.472 3.592 . 0 0 "[ .]" 1
186 1 46 ILE H 1 46 ILE QG 5.000 . 5.000 1.861 1.793 1.888 0.007 2 0 "[ .]" 1
187 1 46 ILE H 1 47 GLN H 5.000 . 5.000 2.587 2.536 2.641 . 0 0 "[ .]" 1
188 1 46 ILE H 1 64 LEU HG 5.000 . 5.000 4.144 3.792 4.442 . 0 0 "[ .]" 1
189 1 46 ILE HA 1 46 ILE MD 3.800 . 3.800 3.845 3.823 3.860 0.060 5 0 "[ .]" 1
190 1 46 ILE HA 1 46 ILE QG 3.800 . 3.800 2.537 2.512 2.561 . 0 0 "[ .]" 1
191 1 46 ILE HA 1 49 ILE H 5.000 . 5.000 3.801 3.690 3.908 . 0 0 "[ .]" 1
192 1 46 ILE HA 1 49 ILE MG 3.800 . 3.800 2.206 2.091 2.293 . 0 0 "[ .]" 1
193 1 46 ILE HA 1 50 TYR H 5.000 . 5.000 3.979 3.910 4.116 . 0 0 "[ .]" 1
194 1 46 ILE HA 1 64 LEU QD 3.800 . 3.800 1.814 1.761 1.866 0.039 5 0 "[ .]" 1
195 1 46 ILE HA 1 64 LEU HG 3.800 . 3.800 3.056 2.874 3.191 . 0 0 "[ .]" 1
196 1 46 ILE HB 1 47 GLN H 5.000 . 5.000 2.797 2.724 2.959 . 0 0 "[ .]" 1
197 1 46 ILE HB 1 74 ILE MG 3.800 . 3.800 3.872 3.814 3.933 0.133 2 0 "[ .]" 1
198 1 46 ILE MD 1 46 ILE MG 2.800 . 2.800 1.898 1.858 1.942 . 0 0 "[ .]" 1
199 1 46 ILE MD 1 47 GLN H 5.000 . 5.000 4.622 4.558 4.723 . 0 0 "[ .]" 1
200 1 46 ILE MD 1 66 MET ME 2.800 . 2.800 2.463 2.159 2.629 . 0 0 "[ .]" 1
201 1 46 ILE MD 1 75 LEU QD 3.800 . 3.800 3.673 3.516 3.838 0.038 2 0 "[ .]" 1
202 1 46 ILE QG 1 64 LEU HG 2.800 . 2.800 1.822 1.626 2.148 0.174 2 0 "[ .]" 1
203 1 46 ILE MG 1 47 GLN H 5.000 . 5.000 3.817 3.765 3.934 . 0 0 "[ .]" 1
204 1 46 ILE MG 1 47 GLN HA 3.800 . 3.800 3.776 3.687 3.930 0.130 2 0 "[ .]" 1
205 1 46 ILE MG 1 49 ILE MG 3.800 . 3.800 3.190 3.076 3.256 . 0 0 "[ .]" 1
206 1 46 ILE MG 1 50 TYR H 5.000 . 5.000 4.008 3.919 4.211 . 0 0 "[ .]" 1
207 1 46 ILE MG 1 50 TYR QB 3.800 . 3.800 2.916 2.811 3.247 . 0 0 "[ .]" 1
208 1 46 ILE MG 1 60 THR MG 3.800 . 3.800 1.920 1.869 2.040 . 0 0 "[ .]" 1
209 1 46 ILE MG 1 64 LEU HG 2.800 . 2.800 2.990 2.936 3.084 0.284 2 0 "[ .]" 1
210 1 46 ILE MG 1 66 MET ME 3.800 . 3.800 3.584 3.342 3.817 0.017 1 0 "[ .]" 1
211 1 46 ILE MG 1 71 LEU QD 2.800 . 2.800 1.771 1.658 1.881 0.142 1 0 "[ .]" 1
212 1 46 ILE MG 1 74 ILE MG 2.800 . 2.800 2.891 2.838 2.950 0.150 2 0 "[ .]" 1
213 1 46 ILE MG 1 75 LEU QD 2.800 . 2.800 2.396 2.337 2.563 . 0 0 "[ .]" 1
214 1 47 GLN H 1 47 GLN QG 5.000 . 5.000 2.790 2.444 3.885 . 0 0 "[ .]" 1
215 1 47 GLN H 1 48 ARG H 5.000 . 5.000 2.527 2.424 2.602 . 0 0 "[ .]" 1
216 1 47 GLN H 1 48 ARG QD 5.000 . 5.000 5.148 5.065 5.248 0.248 2 0 "[ .]" 1
217 1 47 GLN H 1 49 ILE H 5.000 . 5.000 3.914 3.884 3.958 . 0 0 "[ .]" 1
218 1 47 GLN H 1 49 ILE MG 3.800 . 3.800 3.895 3.851 3.925 0.125 4 0 "[ .]" 1
219 1 47 GLN H 1 60 THR MG 5.000 . 5.000 4.862 4.737 4.981 . 0 0 "[ .]" 1
220 1 47 GLN HA 1 47 GLN QG 3.800 . 3.800 2.742 2.301 2.918 . 0 0 "[ .]" 1
221 1 47 GLN HA 1 48 ARG H 5.000 . 5.000 3.541 3.514 3.558 . 0 0 "[ .]" 1
222 1 47 GLN HA 1 50 TYR H 5.000 . 5.000 3.521 3.301 3.929 . 0 0 "[ .]" 1
223 1 47 GLN HA 1 50 TYR QB 3.800 . 3.800 2.735 2.443 3.189 . 0 0 "[ .]" 1
224 1 47 GLN HA 1 50 TYR QD 5.000 . 5.000 4.469 4.138 4.914 . 0 0 "[ .]" 1
225 1 47 GLN HA 1 75 LEU QD 5.000 . 5.000 4.815 4.668 5.020 0.020 5 0 "[ .]" 1
226 1 47 GLN QB 1 48 ARG H 5.000 . 5.000 2.451 2.394 2.531 . 0 0 "[ .]" 1
227 1 47 GLN QE 1 75 LEU HA 5.000 . 5.000 5.061 4.975 5.120 0.120 5 0 "[ .]" 1
228 1 47 GLN QE 1 75 LEU QD 5.000 . 5.000 3.743 3.568 3.889 . 0 0 "[ .]" 1
229 1 47 GLN QG 1 51 GLU QG 5.000 . 5.000 4.988 4.716 5.099 0.099 5 0 "[ .]" 1
230 1 48 ARG H 1 48 ARG QD 5.000 . 5.000 3.644 3.575 3.700 . 0 0 "[ .]" 1
231 1 48 ARG H 1 48 ARG QG 5.000 . 5.000 2.003 1.917 2.127 . 0 0 "[ .]" 1
232 1 48 ARG H 1 49 ILE H 5.000 . 5.000 2.698 2.567 2.751 . 0 0 "[ .]" 1
233 1 48 ARG HA 1 48 ARG QD 3.800 . 3.800 3.846 3.755 3.915 0.115 2 0 "[ .]" 1
234 1 48 ARG HA 1 48 ARG QG 3.800 . 3.800 3.425 3.394 3.488 . 0 0 "[ .]" 1
235 1 48 ARG HA 1 49 ILE H 5.000 . 5.000 3.506 3.496 3.518 . 0 0 "[ .]" 1
236 1 48 ARG HA 1 51 GLU H 5.000 . 5.000 3.891 3.737 4.077 . 0 0 "[ .]" 1
237 1 48 ARG QB 1 48 ARG QD 2.800 . 2.800 2.506 2.386 2.736 . 0 0 "[ .]" 1
238 1 48 ARG QB 1 63 ARG HE 5.000 . 5.000 5.145 5.101 5.187 0.187 2 0 "[ .]" 1
239 1 48 ARG QD 1 48 ARG HE 2.800 . 2.800 2.286 2.224 2.364 . 0 0 "[ .]" 1
240 1 48 ARG QD 1 49 ILE HB 3.800 . 3.800 2.579 2.302 2.696 . 0 0 "[ .]" 1
241 1 48 ARG QD 1 49 ILE MD 3.800 . 3.800 3.772 3.477 3.904 0.104 1 0 "[ .]" 1
242 1 48 ARG QG 1 49 ILE H 5.000 . 5.000 2.520 2.434 2.649 . 0 0 "[ .]" 1
243 1 48 ARG QG 1 50 TYR H 5.000 . 5.000 4.686 4.547 4.816 . 0 0 "[ .]" 1
244 1 49 ILE H 1 49 ILE MD 5.000 . 5.000 4.249 4.207 4.287 . 0 0 "[ .]" 1
245 1 49 ILE H 1 49 ILE QG 5.000 . 5.000 4.043 4.017 4.078 . 0 0 "[ .]" 1
246 1 49 ILE H 1 50 TYR H 5.000 . 5.000 2.392 2.360 2.421 . 0 0 "[ .]" 1
247 1 49 ILE H 1 64 LEU QD 5.000 . 5.000 3.893 3.864 3.927 . 0 0 "[ .]" 1
248 1 49 ILE HA 1 49 ILE MD 2.800 . 2.800 2.175 2.093 2.238 . 0 0 "[ .]" 1
249 1 49 ILE HA 1 50 TYR H 5.000 . 5.000 3.530 3.497 3.549 . 0 0 "[ .]" 1
250 1 49 ILE HA 1 52 MET H 5.000 . 5.000 3.087 2.896 3.318 . 0 0 "[ .]" 1
251 1 49 ILE HA 1 52 MET QB 3.800 . 3.800 3.147 2.156 3.746 . 0 0 "[ .]" 1
252 1 49 ILE HA 1 52 MET QG 3.800 . 3.800 1.902 1.738 2.373 0.062 4 0 "[ .]" 1
253 1 49 ILE HA 1 53 CYS H 5.000 . 5.000 3.970 3.668 4.322 . 0 0 "[ .]" 1
254 1 49 ILE HA 1 64 LEU QD 5.000 . 5.000 5.081 5.048 5.114 0.114 3 0 "[ .]" 1
255 1 49 ILE HB 1 50 TYR H 5.000 . 5.000 4.066 4.031 4.113 . 0 0 "[ .]" 1
256 1 49 ILE HB 1 60 THR MG 3.800 . 3.800 3.928 3.894 3.957 0.157 2 0 "[ .]" 1
257 1 49 ILE HB 1 64 LEU QD 3.800 . 3.800 3.438 3.373 3.502 . 0 0 "[ .]" 1
258 1 49 ILE MD 1 50 TYR H 5.000 . 5.000 4.318 4.238 4.471 . 0 0 "[ .]" 1
259 1 49 ILE MD 1 52 MET QB 3.800 . 3.800 2.979 1.681 3.842 0.119 2 0 "[ .]" 1
260 1 49 ILE MD 1 52 MET QG 5.000 . 5.000 2.196 1.938 2.670 . 0 0 "[ .]" 1
261 1 49 ILE MD 1 63 ARG QD 5.000 . 5.000 1.681 1.656 1.714 0.144 3 0 "[ .]" 1
262 1 49 ILE QG 1 50 TYR H 5.000 . 5.000 3.560 3.436 3.683 . 0 0 "[ .]" 1
263 1 49 ILE QG 1 62 ARG H 5.000 . 5.000 4.984 4.566 5.126 0.126 5 0 "[ .]" 1
264 1 49 ILE QG 1 64 LEU QD 3.800 . 3.800 3.326 3.203 3.414 . 0 0 "[ .]" 1
265 1 49 ILE MG 1 50 TYR H 5.000 . 5.000 2.148 2.068 2.263 . 0 0 "[ .]" 1
266 1 49 ILE MG 1 52 MET QG 5.000 . 5.000 4.367 4.268 4.696 . 0 0 "[ .]" 1
267 1 49 ILE MG 1 60 THR HA 3.800 . 3.800 2.192 2.149 2.230 . 0 0 "[ .]" 1
268 1 49 ILE MG 1 60 THR HB 5.000 . 5.000 3.774 3.761 3.795 . 0 0 "[ .]" 1
269 1 49 ILE MG 1 63 ARG H 5.000 . 5.000 4.369 3.870 4.577 . 0 0 "[ .]" 1
270 1 49 ILE MG 1 63 ARG QD 3.800 . 3.800 3.726 3.198 3.941 0.141 2 0 "[ .]" 1
271 1 49 ILE MG 1 63 ARG QG 3.800 . 3.800 3.470 2.850 3.816 0.016 4 0 "[ .]" 1
272 1 49 ILE MG 1 64 LEU H 5.000 . 5.000 4.050 3.578 4.269 . 0 0 "[ .]" 1
273 1 50 TYR H 1 50 TYR QD 5.000 . 5.000 4.011 3.854 4.080 . 0 0 "[ .]" 1
274 1 50 TYR H 1 51 GLU H 5.000 . 5.000 2.686 2.639 2.723 . 0 0 "[ .]" 1
275 1 50 TYR H 1 60 THR MG 5.000 . 5.000 3.063 2.878 3.296 . 0 0 "[ .]" 1
276 1 50 TYR H 1 64 LEU QD 5.000 . 5.000 4.460 4.427 4.497 . 0 0 "[ .]" 1
277 1 50 TYR HA 1 50 TYR QD 3.800 . 3.800 2.537 2.258 2.836 . 0 0 "[ .]" 1
278 1 50 TYR HA 1 51 GLU H 5.000 . 5.000 3.508 3.501 3.522 . 0 0 "[ .]" 1
279 1 50 TYR HA 1 52 MET H 5.000 . 5.000 4.410 4.240 4.571 . 0 0 "[ .]" 1
280 1 50 TYR HA 1 53 CYS H 5.000 . 5.000 3.997 3.837 4.250 . 0 0 "[ .]" 1
281 1 50 TYR HA 1 53 CYS QB 5.000 . 5.000 4.408 3.602 4.735 . 0 0 "[ .]" 1
282 1 50 TYR HA 1 60 THR MG 3.800 . 3.800 3.476 3.263 3.664 . 0 0 "[ .]" 1
283 1 50 TYR QB 1 51 GLU H 5.000 . 5.000 2.622 2.533 2.717 . 0 0 "[ .]" 1
284 1 50 TYR QB 1 60 THR MG 3.800 . 3.800 2.876 2.589 3.229 . 0 0 "[ .]" 1
285 1 50 TYR QD 1 51 GLU H 5.000 . 5.000 4.200 4.080 4.421 . 0 0 "[ .]" 1
286 1 50 TYR QD 1 51 GLU QG 5.000 . 5.000 3.936 3.467 4.237 . 0 0 "[ .]" 1
287 1 50 TYR QD 1 55 ARG H 5.000 . 5.000 3.990 3.668 4.120 . 0 0 "[ .]" 1
288 1 50 TYR QD 1 57 VAL QG 5.000 . 5.000 3.743 3.386 4.150 . 0 0 "[ .]" 1
289 1 50 TYR QD 1 60 THR MG 3.800 . 3.800 2.689 2.360 3.037 . 0 0 "[ .]" 1
290 1 50 TYR QD 1 75 LEU QD 5.000 . 5.000 2.927 2.650 3.186 . 0 0 "[ .]" 1
291 1 50 TYR QE 1 55 ARG H 5.000 . 5.000 4.528 4.182 4.758 . 0 0 "[ .]" 1
292 1 50 TYR QE 1 55 ARG HA 5.000 . 5.000 2.945 2.803 3.054 . 0 0 "[ .]" 1
293 1 50 TYR QE 1 55 ARG QB 5.000 . 5.000 3.458 3.249 3.606 . 0 0 "[ .]" 1
294 1 50 TYR QE 1 55 ARG QD 3.800 . 3.800 3.590 3.307 3.864 0.064 2 0 "[ .]" 1
295 1 50 TYR QE 1 57 VAL H 5.000 . 5.000 4.103 3.919 4.539 . 0 0 "[ .]" 1
296 1 50 TYR QE 1 57 VAL HA 3.800 . 3.800 3.310 3.140 3.848 0.048 2 0 "[ .]" 1
297 1 50 TYR QE 1 57 VAL QG 5.000 . 5.000 2.437 1.802 3.479 . 0 0 "[ .]" 1
298 1 50 TYR QE 1 75 LEU QD 3.800 . 3.800 2.227 1.888 2.451 . 0 0 "[ .]" 1
299 1 50 TYR QE 1 75 LEU HG 5.000 . 5.000 4.710 4.204 4.985 . 0 0 "[ .]" 1
300 1 51 GLU H 1 51 GLU QG 5.000 . 5.000 2.246 2.015 2.352 . 0 0 "[ .]" 1
301 1 51 GLU H 1 53 CYS H 5.000 . 5.000 4.416 4.161 4.706 . 0 0 "[ .]" 1
302 1 51 GLU HA 1 51 GLU QB 2.800 . 2.800 2.369 2.318 2.392 . 0 0 "[ .]" 1
303 1 51 GLU HA 1 51 GLU QG 3.800 . 3.800 2.696 2.439 2.893 . 0 0 "[ .]" 1
304 1 51 GLU HA 1 53 CYS H 5.000 . 5.000 4.702 4.511 4.877 . 0 0 "[ .]" 1
305 1 51 GLU HA 1 54 ASP H 5.000 . 5.000 3.803 3.565 3.907 . 0 0 "[ .]" 1
306 1 51 GLU HA 1 55 ARG H 5.000 . 5.000 3.795 3.448 4.011 . 0 0 "[ .]" 1
307 1 51 GLU HA 1 55 ARG QG 5.000 . 5.000 4.562 4.057 5.036 0.036 5 0 "[ .]" 1
308 1 51 GLU QB 1 52 MET H 5.000 . 5.000 2.681 2.501 2.830 . 0 0 "[ .]" 1
309 1 51 GLU QB 1 52 MET QG 5.000 . 5.000 4.057 3.702 4.322 . 0 0 "[ .]" 1
310 1 51 GLU QB 1 53 CYS H 5.000 . 5.000 4.903 4.647 5.127 0.127 5 0 "[ .]" 1
311 1 51 GLU QB 1 54 ASP H 5.000 . 5.000 4.859 4.777 4.999 . 0 0 "[ .]" 1
312 1 52 MET H 1 52 MET QG 5.000 . 5.000 2.309 2.217 2.617 . 0 0 "[ .]" 1
313 1 52 MET H 1 53 CYS H 5.000 . 5.000 2.697 2.532 2.904 . 0 0 "[ .]" 1
314 1 52 MET HA 1 52 MET QB 2.800 . 2.800 2.270 2.171 2.456 . 0 0 "[ .]" 1
315 1 52 MET HA 1 52 MET QG 3.800 . 3.800 3.153 2.764 3.355 . 0 0 "[ .]" 1
316 1 52 MET HA 1 53 CYS H 5.000 . 5.000 3.549 3.520 3.584 . 0 0 "[ .]" 1
317 1 52 MET QB 1 53 CYS H 5.000 . 5.000 3.049 2.247 3.596 . 0 0 "[ .]" 1
318 1 52 MET QG 1 53 CYS H 5.000 . 5.000 3.005 2.205 4.119 . 0 0 "[ .]" 1
319 1 52 MET QG 1 53 CYS QB 5.000 . 5.000 3.686 2.790 4.838 . 0 0 "[ .]" 1
320 1 52 MET QG 1 63 ARG QD 3.800 . 3.800 3.922 3.903 3.981 0.181 2 0 "[ .]" 1
321 1 53 CYS H 1 54 ASP H 5.000 . 5.000 2.445 2.331 2.519 . 0 0 "[ .]" 1
322 1 53 CYS H 1 55 ARG H 5.000 . 5.000 4.265 4.023 4.612 . 0 0 "[ .]" 1
323 1 53 CYS H 1 59 GLU QB 5.000 . 5.000 4.879 4.340 5.143 0.143 3 0 "[ .]" 1
324 1 53 CYS H 1 59 GLU QG 5.000 . 5.000 4.722 4.022 5.024 0.024 4 0 "[ .]" 1
325 1 53 CYS HA 1 54 ASP H 5.000 . 5.000 3.170 3.024 3.264 . 0 0 "[ .]" 1
326 1 53 CYS QB 1 56 ASN H 5.000 . 5.000 3.162 2.929 3.573 . 0 0 "[ .]" 1
327 1 53 CYS QB 1 59 GLU QB 3.800 . 3.800 2.543 2.323 2.790 . 0 0 "[ .]" 1
328 1 53 CYS QB 1 60 THR H 5.000 . 5.000 4.279 3.895 4.656 . 0 0 "[ .]" 1
329 1 54 ASP H 1 55 ARG H 5.000 . 5.000 3.002 2.897 3.075 . 0 0 "[ .]" 1
330 1 54 ASP HA 1 55 ARG H 5.000 . 5.000 2.413 2.326 2.504 . 0 0 "[ .]" 1
331 1 54 ASP QB 1 55 ARG H 5.000 . 5.000 4.029 4.005 4.039 . 0 0 "[ .]" 1
332 1 54 ASP QB 1 56 ASN H 5.000 . 5.000 4.265 4.177 4.353 . 0 0 "[ .]" 1
333 1 55 ARG H 1 55 ARG QD 5.000 . 5.000 4.643 4.279 4.863 . 0 0 "[ .]" 1
334 1 55 ARG H 1 55 ARG QG 5.000 . 5.000 2.765 2.594 2.941 . 0 0 "[ .]" 1
335 1 55 ARG H 1 56 ASN H 5.000 . 5.000 2.711 2.656 2.773 . 0 0 "[ .]" 1
336 1 55 ARG HA 1 55 ARG QD 3.800 . 3.800 3.942 3.860 4.078 0.278 2 0 "[ .]" 1
337 1 55 ARG HA 1 56 ASN H 5.000 . 5.000 3.084 3.017 3.154 . 0 0 "[ .]" 1
338 1 55 ARG QB 1 55 ARG HE 5.000 . 5.000 3.371 2.139 3.984 . 0 0 "[ .]" 1
339 1 56 ASN H 1 56 ASN QD 5.000 . 5.000 4.536 4.383 4.606 . 0 0 "[ .]" 1
340 1 56 ASN H 1 57 VAL H 5.000 . 5.000 4.266 4.179 4.374 . 0 0 "[ .]" 1
341 1 56 ASN HA 1 57 VAL H 5.000 . 5.000 2.146 2.100 2.185 . 0 0 "[ .]" 1
342 1 56 ASN HA 1 57 VAL QG 5.000 . 5.000 3.563 3.442 3.635 . 0 0 "[ .]" 1
343 1 56 ASN HA 1 58 SER H 5.000 . 5.000 3.626 3.526 3.755 . 0 0 "[ .]" 1
344 1 56 ASN QB 1 57 VAL H 5.000 . 5.000 3.842 3.438 3.984 . 0 0 "[ .]" 1
345 1 56 ASN QB 1 59 GLU H 5.000 . 5.000 3.220 2.542 3.598 . 0 0 "[ .]" 1
346 1 56 ASN QB 1 59 GLU QB 5.000 . 5.000 2.754 2.471 3.213 . 0 0 "[ .]" 1
347 1 56 ASN QB 1 60 THR H 5.000 . 5.000 3.878 3.678 4.158 . 0 0 "[ .]" 1
348 1 56 ASN QD 1 58 SER H 5.000 . 5.000 4.136 3.658 4.441 . 0 0 "[ .]" 1
349 1 57 VAL H 1 58 SER H 5.000 . 5.000 2.617 2.568 2.657 . 0 0 "[ .]" 1
350 1 57 VAL HA 1 57 VAL QG 2.800 . 2.800 2.170 2.126 2.316 . 0 0 "[ .]" 1
351 1 57 VAL HA 1 58 SER H 5.000 . 5.000 3.493 3.483 3.506 . 0 0 "[ .]" 1
352 1 57 VAL HA 1 59 GLU H 5.000 . 5.000 4.632 4.598 4.647 . 0 0 "[ .]" 1
353 1 57 VAL HA 1 60 THR H 5.000 . 5.000 3.485 3.387 3.611 . 0 0 "[ .]" 1
354 1 57 VAL HA 1 60 THR HB 3.800 . 3.800 2.463 2.312 2.608 . 0 0 "[ .]" 1
355 1 57 VAL HA 1 60 THR MG 5.000 . 5.000 3.730 3.623 3.852 . 0 0 "[ .]" 1
356 1 57 VAL HA 1 71 LEU QD 5.000 . 5.000 3.100 2.958 3.325 . 0 0 "[ .]" 1
357 1 57 VAL HA 1 71 LEU HG 3.800 . 3.800 3.494 3.316 3.670 . 0 0 "[ .]" 1
358 1 57 VAL HB 1 58 SER H 5.000 . 5.000 3.121 2.746 4.092 . 0 0 "[ .]" 1
359 1 57 VAL QG 1 58 SER H 5.000 . 5.000 3.162 2.333 3.444 . 0 0 "[ .]" 1
360 1 57 VAL QG 1 58 SER HA 5.000 . 5.000 3.459 3.004 3.607 . 0 0 "[ .]" 1
361 1 57 VAL QG 1 60 THR H 5.000 . 5.000 4.377 4.300 4.442 . 0 0 "[ .]" 1
362 1 57 VAL QG 1 68 ARG HA 3.800 . 3.800 3.344 3.184 3.542 . 0 0 "[ .]" 1
363 1 57 VAL QG 1 68 ARG QD 3.800 . 3.800 2.628 1.952 3.686 . 0 0 "[ .]" 1
364 1 57 VAL QG 1 72 GLN H 5.000 . 5.000 3.351 3.117 3.514 . 0 0 "[ .]" 1
365 1 57 VAL QG 1 72 GLN QE 5.000 . 5.000 3.979 3.237 4.456 . 0 0 "[ .]" 1
366 1 57 VAL QG 1 72 GLN QG 5.000 . 5.000 3.530 2.090 4.466 . 0 0 "[ .]" 1
367 1 57 VAL QG 1 75 LEU QD 2.800 . 2.800 2.134 2.070 2.244 . 0 0 "[ .]" 1
368 1 58 SER H 1 60 THR H 5.000 . 5.000 3.959 3.907 4.062 . 0 0 "[ .]" 1
369 1 58 SER H 1 61 ALA MB 5.000 . 5.000 4.907 4.780 5.027 0.027 5 0 "[ .]" 1
370 1 58 SER HA 1 58 SER QB 2.800 . 2.800 2.305 2.184 2.349 . 0 0 "[ .]" 1
371 1 58 SER HA 1 59 GLU H 5.000 . 5.000 3.581 3.575 3.592 . 0 0 "[ .]" 1
372 1 58 SER HA 1 61 ALA MB 3.800 . 3.800 3.065 2.921 3.263 . 0 0 "[ .]" 1
373 1 58 SER HA 1 68 ARG QD 5.000 . 5.000 3.269 1.943 4.393 . 0 0 "[ .]" 1
374 1 58 SER QB 1 59 GLU H 5.000 . 5.000 2.564 2.313 3.245 . 0 0 "[ .]" 1
375 1 58 SER QB 1 61 ALA MB 5.000 . 5.000 4.487 4.233 4.714 . 0 0 "[ .]" 1
376 1 59 GLU H 1 59 GLU QG 5.000 . 5.000 4.060 4.004 4.087 . 0 0 "[ .]" 1
377 1 59 GLU H 1 60 THR H 5.000 . 5.000 2.553 2.489 2.626 . 0 0 "[ .]" 1
378 1 59 GLU HA 1 59 GLU QG 3.800 . 3.800 2.805 2.457 2.938 . 0 0 "[ .]" 1
379 1 59 GLU HA 1 61 ALA MB 3.800 . 3.800 4.844 4.192 5.228 1.428 1 4 "[+* -*]" 1
380 1 59 GLU HA 1 62 ARG H 5.000 . 5.000 3.317 2.966 3.590 . 0 0 "[ .]" 1
381 1 59 GLU HA 1 63 ARG H 5.000 . 5.000 3.953 3.627 4.484 . 0 0 "[ .]" 1
382 1 59 GLU QB 1 60 THR H 5.000 . 5.000 2.624 2.520 2.732 . 0 0 "[ .]" 1
383 1 59 GLU QB 1 60 THR HG1 5.000 . 5.000 3.699 3.446 3.921 . 0 0 "[ .]" 1
384 1 59 GLU QG 1 60 THR H 5.000 . 5.000 3.737 3.625 3.783 . 0 0 "[ .]" 1
385 1 59 GLU QG 1 63 ARG H 5.000 . 5.000 3.979 3.556 4.461 . 0 0 "[ .]" 1
386 1 59 GLU QG 1 63 ARG QD 3.800 . 3.800 3.009 2.808 3.399 . 0 0 "[ .]" 1
387 1 59 GLU QG 1 63 ARG HE 5.000 . 5.000 5.231 5.186 5.282 0.282 5 0 "[ .]" 1
388 1 60 THR H 1 60 THR HG1 5.000 . 5.000 2.020 1.978 2.085 . 0 0 "[ .]" 1
389 1 60 THR H 1 61 ALA MB 5.000 . 5.000 4.423 4.301 4.473 . 0 0 "[ .]" 1
390 1 60 THR HA 1 60 THR HG1 3.800 . 3.800 3.147 3.091 3.180 . 0 0 "[ .]" 1
391 1 60 THR HA 1 61 ALA H 5.000 . 5.000 3.555 3.511 3.577 . 0 0 "[ .]" 1
392 1 60 THR HA 1 63 ARG H 5.000 . 5.000 3.626 3.506 3.739 . 0 0 "[ .]" 1
393 1 60 THR HA 1 63 ARG QD 5.000 . 5.000 4.154 3.745 4.356 . 0 0 "[ .]" 1
394 1 60 THR HA 1 64 LEU QD 5.000 . 5.000 2.984 2.891 3.099 . 0 0 "[ .]" 1
395 1 60 THR HB 1 61 ALA H 3.800 . 3.800 2.368 2.287 2.551 . 0 0 "[ .]" 1
396 1 60 THR HB 1 64 LEU QD 5.000 . 5.000 4.074 3.441 4.360 . 0 0 "[ .]" 1
397 1 60 THR HB 1 71 LEU HG 3.800 . 3.800 2.249 2.008 2.571 . 0 0 "[ .]" 1
398 1 60 THR MG 1 61 ALA H 5.000 . 5.000 3.396 3.317 3.560 . 0 0 "[ .]" 1
399 1 60 THR MG 1 64 LEU QD 3.800 . 3.800 2.125 1.733 2.385 0.067 2 0 "[ .]" 1
400 1 60 THR MG 1 64 LEU HG 2.800 . 2.800 3.011 2.904 3.217 0.417 2 0 "[ .]" 1
401 1 60 THR MG 1 75 LEU QD 3.800 . 3.800 3.153 2.989 3.395 . 0 0 "[ .]" 1
402 1 61 ALA H 1 62 ARG H 5.000 . 5.000 2.741 2.694 2.784 . 0 0 "[ .]" 1
403 1 61 ALA H 1 64 LEU QD 5.000 . 5.000 4.251 3.278 4.608 . 0 0 "[ .]" 1
404 1 61 ALA H 1 71 LEU HG 5.000 . 5.000 2.689 2.415 2.907 . 0 0 "[ .]" 1
405 1 61 ALA HA 1 62 ARG H 5.000 . 5.000 3.548 3.522 3.570 . 0 0 "[ .]" 1
406 1 61 ALA HA 1 63 ARG H 5.000 . 5.000 4.375 4.019 4.605 . 0 0 "[ .]" 1
407 1 61 ALA HA 1 64 LEU H 5.000 . 5.000 3.472 3.350 3.538 . 0 0 "[ .]" 1
408 1 61 ALA HA 1 64 LEU QB 5.000 . 5.000 2.805 2.310 4.533 . 0 0 "[ .]" 1
409 1 61 ALA HA 1 64 LEU HG 3.800 . 3.800 3.959 3.808 4.090 0.290 2 0 "[ .]" 1
410 1 61 ALA HA 1 65 ASN H 5.000 . 5.000 4.635 4.455 4.952 . 0 0 "[ .]" 1
411 1 61 ALA HA 1 66 MET H 5.000 . 5.000 3.650 3.269 4.050 . 0 0 "[ .]" 1
412 1 61 ALA HA 1 66 MET QB 3.800 . 3.800 3.414 2.788 4.158 0.358 5 0 "[ .]" 1
413 1 61 ALA HA 1 66 MET ME 3.800 . 3.800 3.608 3.192 3.898 0.098 4 0 "[ .]" 1
414 1 61 ALA HA 1 66 MET QG 5.000 . 5.000 3.895 2.273 5.032 0.032 3 0 "[ .]" 1
415 1 61 ALA HA 1 71 LEU QD 3.800 . 3.800 2.015 1.840 2.237 . 0 0 "[ .]" 1
416 1 61 ALA HA 1 71 LEU HG 3.800 . 3.800 3.093 2.784 3.471 . 0 0 "[ .]" 1
417 1 61 ALA MB 1 62 ARG H 5.000 . 5.000 2.517 2.262 2.665 . 0 0 "[ .]" 1
418 1 61 ALA MB 1 64 LEU H 5.000 . 5.000 4.496 4.388 4.766 . 0 0 "[ .]" 1
419 1 61 ALA MB 1 66 MET H 5.000 . 5.000 3.638 3.432 3.837 . 0 0 "[ .]" 1
420 1 61 ALA MB 1 66 MET QB 3.800 . 3.800 3.611 3.128 3.866 0.066 4 0 "[ .]" 1
421 1 61 ALA MB 1 66 MET QG 5.000 . 5.000 3.820 1.789 5.119 0.119 3 0 "[ .]" 1
422 1 61 ALA MB 1 67 HIS H 5.000 . 5.000 4.324 4.135 4.494 . 0 0 "[ .]" 1
423 1 61 ALA MB 1 68 ARG H 5.000 . 5.000 3.622 3.427 3.871 . 0 0 "[ .]" 1
424 1 61 ALA MB 1 68 ARG HA 2.800 . 2.800 2.465 2.128 2.655 . 0 0 "[ .]" 1
425 1 61 ALA MB 1 71 LEU HG 2.800 . 2.800 2.714 2.560 2.826 0.026 2 0 "[ .]" 1
426 1 62 ARG H 1 62 ARG QD 5.000 . 5.000 4.206 3.928 4.556 . 0 0 "[ .]" 1
427 1 62 ARG H 1 62 ARG QG 5.000 . 5.000 3.984 3.802 4.055 . 0 0 "[ .]" 1
428 1 62 ARG H 1 63 ARG H 5.000 . 5.000 2.543 2.378 2.639 . 0 0 "[ .]" 1
429 1 62 ARG H 1 65 ASN H 5.000 . 5.000 4.813 4.623 5.011 0.011 3 0 "[ .]" 1
430 1 62 ARG HA 1 62 ARG QB 2.800 . 2.800 2.372 2.279 2.506 . 0 0 "[ .]" 1
431 1 62 ARG HA 1 62 ARG QG 3.800 . 3.800 2.790 2.404 3.083 . 0 0 "[ .]" 1
432 1 62 ARG HA 1 63 ARG H 5.000 . 5.000 3.495 3.464 3.521 . 0 0 "[ .]" 1
433 1 62 ARG HA 1 65 ASN H 5.000 . 5.000 3.514 3.319 3.817 . 0 0 "[ .]" 1
434 1 62 ARG HA 1 66 MET H 5.000 . 5.000 3.576 3.121 4.153 . 0 0 "[ .]" 1
435 1 62 ARG QB 1 62 ARG HE 5.000 . 5.000 3.722 2.451 4.151 . 0 0 "[ .]" 1
436 1 62 ARG QB 1 63 ARG H 5.000 . 5.000 2.659 2.583 2.776 . 0 0 "[ .]" 1
437 1 62 ARG QD 1 63 ARG H 5.000 . 5.000 4.228 2.628 4.911 . 0 0 "[ .]" 1
438 1 62 ARG QD 1 65 ASN H 5.000 . 5.000 4.601 4.056 5.028 0.028 2 0 "[ .]" 1
439 1 63 ARG H 1 63 ARG QD 5.000 . 5.000 4.114 3.693 4.287 . 0 0 "[ .]" 1
440 1 63 ARG H 1 63 ARG QG 5.000 . 5.000 3.985 3.971 4.027 . 0 0 "[ .]" 1
441 1 63 ARG H 1 64 LEU H 5.000 . 5.000 2.425 2.304 2.620 . 0 0 "[ .]" 1
442 1 63 ARG H 1 65 ASN H 5.000 . 5.000 3.752 3.650 3.938 . 0 0 "[ .]" 1
443 1 63 ARG H 1 71 LEU QD 5.000 . 5.000 5.025 4.981 5.081 0.081 4 0 "[ .]" 1
444 1 63 ARG HA 1 63 ARG QD 3.800 . 3.800 3.411 2.318 3.825 0.025 1 0 "[ .]" 1
445 1 63 ARG HA 1 63 ARG QG 3.800 . 3.800 2.374 2.289 2.518 . 0 0 "[ .]" 1
446 1 63 ARG HA 1 64 LEU H 5.000 . 5.000 3.435 3.392 3.559 . 0 0 "[ .]" 1
447 1 63 ARG HA 1 65 ASN H 5.000 . 5.000 3.651 3.412 3.870 . 0 0 "[ .]" 1
448 1 63 ARG QB 1 63 ARG HE 5.000 . 5.000 3.868 3.762 3.998 . 0 0 "[ .]" 1
449 1 64 LEU H 1 64 LEU QD 5.000 . 5.000 2.489 1.559 2.775 0.241 2 0 "[ .]" 1
450 1 64 LEU H 1 64 LEU HG 5.000 . 5.000 4.088 3.616 4.228 . 0 0 "[ .]" 1
451 1 64 LEU H 1 65 ASN H 5.000 . 5.000 2.337 2.190 2.528 . 0 0 "[ .]" 1
452 1 64 LEU H 1 66 MET H 5.000 . 5.000 3.726 3.357 4.194 . 0 0 "[ .]" 1
453 1 64 LEU HA 1 64 LEU QD 3.800 . 3.800 2.076 1.849 2.895 . 0 0 "[ .]" 1
454 1 64 LEU QB 1 64 LEU HG 2.800 . 2.800 2.180 2.168 2.188 . 0 0 "[ .]" 1
455 1 64 LEU QB 1 65 ASN H 5.000 . 5.000 3.374 3.154 3.867 . 0 0 "[ .]" 1
456 1 64 LEU QB 1 66 MET QG 3.800 . 3.800 3.108 1.918 3.622 . 0 0 "[ .]" 1
457 1 64 LEU QD 1 65 ASN H 5.000 . 5.000 3.752 2.782 4.020 . 0 0 "[ .]" 1
458 1 64 LEU QD 1 66 MET QG 5.000 . 5.000 3.902 3.191 4.731 . 0 0 "[ .]" 1
459 1 64 LEU HG 1 66 MET ME 2.800 . 2.800 2.950 2.866 3.014 0.214 1 0 "[ .]" 1
460 1 65 ASN H 1 65 ASN QD 5.000 . 5.000 4.128 2.536 5.246 0.246 4 0 "[ .]" 1
461 1 65 ASN H 1 66 MET H 5.000 . 5.000 2.645 2.476 2.955 . 0 0 "[ .]" 1
462 1 65 ASN H 1 66 MET QB 5.000 . 5.000 4.400 3.952 5.094 0.094 5 0 "[ .]" 1
463 1 65 ASN H 1 66 MET QG 5.000 . 5.000 4.907 3.691 6.001 1.001 4 1 "[ +.]" 1
464 1 65 ASN HA 1 65 ASN QB 2.800 . 2.800 2.406 2.348 2.462 . 0 0 "[ .]" 1
465 1 65 ASN HA 1 66 MET H 5.000 . 5.000 2.727 2.392 2.875 . 0 0 "[ .]" 1
466 1 65 ASN QB 1 66 MET H 5.000 . 5.000 3.878 3.785 4.028 . 0 0 "[ .]" 1
467 1 66 MET H 1 66 MET ME 5.000 . 5.000 4.681 4.294 5.021 0.021 4 0 "[ .]" 1
468 1 66 MET H 1 66 MET QG 5.000 . 5.000 3.213 2.053 4.139 . 0 0 "[ .]" 1
469 1 66 MET H 1 67 HIS H 5.000 . 5.000 4.404 4.330 4.458 . 0 0 "[ .]" 1
470 1 66 MET HA 1 66 MET QG 3.800 . 3.800 2.754 2.252 3.373 . 0 0 "[ .]" 1
471 1 66 MET HA 1 67 HIS H 5.000 . 5.000 2.340 2.230 2.456 . 0 0 "[ .]" 1
472 1 66 MET HA 1 67 HIS QB 3.800 . 3.800 3.972 3.903 4.023 0.223 1 0 "[ .]" 1
473 1 66 MET QB 1 66 MET ME 2.800 . 2.800 2.331 1.974 2.813 0.013 5 0 "[ .]" 1
474 1 66 MET QB 1 67 HIS H 5.000 . 5.000 2.601 2.120 3.396 . 0 0 "[ .]" 1
475 1 66 MET QB 1 70 THR HB 5.000 . 5.000 2.513 1.888 3.988 . 0 0 "[ .]" 1
476 1 66 MET QB 1 70 THR MG 5.000 . 5.000 2.813 2.065 3.976 . 0 0 "[ .]" 1
477 1 66 MET ME 1 66 MET QG 2.800 . 2.800 2.374 2.183 2.562 . 0 0 "[ .]" 1
478 1 66 MET ME 1 67 HIS H 5.000 . 5.000 4.510 4.159 4.820 . 0 0 "[ .]" 1
479 1 66 MET ME 1 70 THR HA 3.800 . 3.800 4.022 3.944 4.101 0.301 1 0 "[ .]" 1
480 1 66 MET ME 1 70 THR HB 3.800 . 3.800 2.576 2.443 2.790 . 0 0 "[ .]" 1
481 1 66 MET ME 1 70 THR MG 2.800 . 2.800 1.821 1.782 1.883 0.018 5 0 "[ .]" 1
482 1 66 MET ME 1 71 LEU H 3.800 . 3.800 3.121 2.952 3.279 . 0 0 "[ .]" 1
483 1 66 MET ME 1 71 LEU HA 2.800 . 2.800 2.304 2.045 2.739 . 0 0 "[ .]" 1
484 1 66 MET ME 1 71 LEU QD 2.800 . 2.800 1.903 1.714 2.417 0.086 5 0 "[ .]" 1
485 1 66 MET QG 1 67 HIS H 5.000 . 5.000 2.919 1.760 3.707 0.040 4 0 "[ .]" 1
486 1 66 MET QG 1 70 THR HA 5.000 . 5.000 4.835 4.218 5.117 0.117 5 0 "[ .]" 1
487 1 66 MET QG 1 70 THR MG 3.800 . 3.800 2.387 1.869 3.081 . 0 0 "[ .]" 1
488 1 66 MET QG 1 71 LEU H 5.000 . 5.000 3.756 2.475 4.835 . 0 0 "[ .]" 1
489 1 66 MET QG 1 71 LEU QD 5.000 . 5.000 3.550 2.182 4.289 . 0 0 "[ .]" 1
490 1 66 MET QG 1 74 ILE MD 3.800 . 3.800 3.879 3.666 4.022 0.222 5 0 "[ .]" 1
491 1 67 HIS H 1 68 ARG H 5.000 . 5.000 4.609 4.603 4.622 . 0 0 "[ .]" 1
492 1 67 HIS H 1 70 THR H 5.000 . 5.000 4.015 3.796 4.283 . 0 0 "[ .]" 1
493 1 67 HIS H 1 70 THR HB 5.000 . 5.000 3.007 2.626 3.579 . 0 0 "[ .]" 1
494 1 67 HIS HA 1 68 ARG H 5.000 . 5.000 2.361 2.319 2.415 . 0 0 "[ .]" 1
495 1 67 HIS HA 1 69 ARG H 5.000 . 5.000 4.407 4.089 4.643 . 0 0 "[ .]" 1
496 1 67 HIS QB 1 68 ARG H 5.000 . 5.000 3.263 3.062 3.414 . 0 0 "[ .]" 1
497 1 67 HIS QB 1 69 ARG H 5.000 . 5.000 3.103 2.531 3.575 . 0 0 "[ .]" 1
498 1 67 HIS QB 1 70 THR H 5.000 . 5.000 2.639 2.475 2.937 . 0 0 "[ .]" 1
499 1 67 HIS QB 1 70 THR HB 3.800 . 3.800 3.614 3.249 3.964 0.164 4 0 "[ .]" 1
500 1 68 ARG H 1 68 ARG QG 5.000 . 5.000 3.819 3.344 4.056 . 0 0 "[ .]" 1
501 1 68 ARG H 1 69 ARG H 5.000 . 5.000 2.797 2.624 2.932 . 0 0 "[ .]" 1
502 1 68 ARG H 1 70 THR H 5.000 . 5.000 4.152 4.075 4.203 . 0 0 "[ .]" 1
503 1 68 ARG HA 1 68 ARG QG 3.800 . 3.800 2.441 2.255 2.893 . 0 0 "[ .]" 1
504 1 68 ARG HA 1 69 ARG H 5.000 . 5.000 3.530 3.462 3.567 . 0 0 "[ .]" 1
505 1 68 ARG HA 1 70 THR H 5.000 . 5.000 4.162 3.738 4.350 . 0 0 "[ .]" 1
506 1 68 ARG HA 1 71 LEU H 5.000 . 5.000 3.492 2.895 3.759 . 0 0 "[ .]" 1
507 1 68 ARG HA 1 71 LEU QB 5.000 . 5.000 2.955 2.262 3.312 . 0 0 "[ .]" 1
508 1 68 ARG HA 1 71 LEU QD 5.000 . 5.000 4.510 3.968 4.830 . 0 0 "[ .]" 1
509 1 68 ARG QB 1 68 ARG HE 5.000 . 5.000 2.197 2.077 2.276 . 0 0 "[ .]" 1
510 1 68 ARG QB 1 69 ARG H 5.000 . 5.000 2.595 2.329 2.979 . 0 0 "[ .]" 1
511 1 68 ARG QB 1 69 ARG HE 5.000 . 5.000 4.673 3.866 5.036 0.036 4 0 "[ .]" 1
512 1 68 ARG QD 1 71 LEU QD 5.000 . 5.000 4.771 4.608 4.981 . 0 0 "[ .]" 1
513 1 68 ARG QG 1 72 GLN QB 5.000 . 5.000 4.324 3.378 5.017 0.017 4 0 "[ .]" 1
514 1 69 ARG H 1 69 ARG QD 5.000 . 5.000 3.713 3.260 4.723 . 0 0 "[ .]" 1
515 1 69 ARG H 1 69 ARG QG 5.000 . 5.000 2.531 2.118 3.939 . 0 0 "[ .]" 1
516 1 69 ARG H 1 70 THR H 5.000 . 5.000 2.634 2.589 2.699 . 0 0 "[ .]" 1
517 1 69 ARG H 1 71 LEU H 5.000 . 5.000 4.406 4.240 4.567 . 0 0 "[ .]" 1
518 1 69 ARG HA 1 69 ARG QD 3.800 . 3.800 2.743 1.829 4.067 0.267 3 0 "[ .]" 1
519 1 69 ARG HA 1 69 ARG QG 3.800 . 3.800 2.696 2.224 2.990 . 0 0 "[ .]" 1
520 1 69 ARG HA 1 70 THR H 5.000 . 5.000 3.497 3.457 3.527 . 0 0 "[ .]" 1
521 1 69 ARG HA 1 72 GLN H 5.000 . 5.000 3.519 3.249 4.125 . 0 0 "[ .]" 1
522 1 69 ARG HA 1 72 GLN QB 3.800 . 3.800 2.530 2.246 3.247 . 0 0 "[ .]" 1
523 1 69 ARG HA 1 72 GLN QG 5.000 . 5.000 4.115 3.845 4.372 . 0 0 "[ .]" 1
524 1 69 ARG HA 1 73 ARG H 5.000 . 5.000 3.876 3.716 4.061 . 0 0 "[ .]" 1
525 1 69 ARG QB 1 69 ARG HE 5.000 . 5.000 3.656 2.192 4.074 . 0 0 "[ .]" 1
526 1 69 ARG QB 1 70 THR H 5.000 . 5.000 2.740 2.633 2.820 . 0 0 "[ .]" 1
527 1 69 ARG QG 1 70 THR H 5.000 . 5.000 4.079 4.000 4.189 . 0 0 "[ .]" 1
528 1 70 THR H 1 71 LEU H 5.000 . 5.000 2.711 2.472 2.831 . 0 0 "[ .]" 1
529 1 70 THR H 1 72 GLN H 5.000 . 5.000 4.038 3.979 4.138 . 0 0 "[ .]" 1
530 1 70 THR HA 1 71 LEU H 5.000 . 5.000 3.546 3.532 3.561 . 0 0 "[ .]" 1
531 1 70 THR HA 1 73 ARG H 5.000 . 5.000 3.734 3.618 3.847 . 0 0 "[ .]" 1
532 1 70 THR HA 1 74 ILE H 5.000 . 5.000 4.212 4.125 4.323 . 0 0 "[ .]" 1
533 1 70 THR HB 1 71 LEU H 5.000 . 5.000 2.316 2.203 2.365 . 0 0 "[ .]" 1
534 1 70 THR MG 1 71 LEU H 5.000 . 5.000 3.532 3.481 3.569 . 0 0 "[ .]" 1
535 1 70 THR MG 1 71 LEU HA 3.800 . 3.800 3.811 3.778 3.839 0.039 3 0 "[ .]" 1
536 1 70 THR MG 1 74 ILE H 5.000 . 5.000 4.399 4.323 4.544 . 0 0 "[ .]" 1
537 1 70 THR MG 1 74 ILE MD 2.800 . 2.800 2.072 1.882 2.338 . 0 0 "[ .]" 1
538 1 71 LEU H 1 71 LEU QD 5.000 . 5.000 3.405 3.357 3.443 . 0 0 "[ .]" 1
539 1 71 LEU H 1 71 LEU HG 5.000 . 5.000 4.484 4.467 4.509 . 0 0 "[ .]" 1
540 1 71 LEU H 1 72 GLN H 5.000 . 5.000 2.730 2.632 2.875 . 0 0 "[ .]" 1
541 1 71 LEU HA 1 71 LEU QD 3.800 . 3.800 1.964 1.937 2.014 . 0 0 "[ .]" 1
542 1 71 LEU HA 1 71 LEU HG 3.800 . 3.800 3.711 3.687 3.730 . 0 0 "[ .]" 1
543 1 71 LEU HA 1 72 GLN H 5.000 . 5.000 3.540 3.516 3.560 . 0 0 "[ .]" 1
544 1 71 LEU HA 1 74 ILE HB 3.800 . 3.800 2.775 2.743 2.812 . 0 0 "[ .]" 1
545 1 71 LEU HA 1 74 ILE MD 3.800 . 3.800 2.687 2.400 3.028 . 0 0 "[ .]" 1
546 1 71 LEU HA 1 74 ILE MG 3.800 . 3.800 3.916 3.895 3.946 0.146 5 0 "[ .]" 1
547 1 71 LEU HA 1 75 LEU H 5.000 . 5.000 4.070 3.727 4.253 . 0 0 "[ .]" 1
548 1 71 LEU QB 1 72 GLN H 5.000 . 5.000 2.430 2.316 2.469 . 0 0 "[ .]" 1
549 1 71 LEU QB 1 75 LEU QD 5.000 . 5.000 3.643 3.511 3.928 . 0 0 "[ .]" 1
550 1 71 LEU QD 1 72 GLN HA 5.000 . 5.000 3.504 3.393 3.646 . 0 0 "[ .]" 1
551 1 71 LEU QD 1 75 LEU H 5.000 . 5.000 3.339 3.046 3.553 . 0 0 "[ .]" 1
552 1 71 LEU QD 1 75 LEU QD 3.800 . 3.800 1.816 1.777 1.854 0.023 1 0 "[ .]" 1
553 1 71 LEU QD 1 75 LEU HG 3.800 . 3.800 2.499 2.041 3.951 0.151 2 0 "[ .]" 1
554 1 71 LEU HG 1 75 LEU QD 3.800 . 3.800 3.843 3.819 3.869 0.069 1 0 "[ .]" 1
555 1 72 GLN H 1 72 GLN QG 5.000 . 5.000 3.721 2.607 4.046 . 0 0 "[ .]" 1
556 1 72 GLN H 1 73 ARG H 5.000 . 5.000 2.782 2.718 2.828 . 0 0 "[ .]" 1
557 1 72 GLN H 1 74 ILE H 5.000 . 5.000 4.148 3.994 4.342 . 0 0 "[ .]" 1
558 1 72 GLN H 1 74 ILE MD 5.000 . 5.000 5.083 4.952 5.178 0.178 2 0 "[ .]" 1
559 1 72 GLN HA 1 72 GLN QG 3.800 . 3.800 2.667 2.424 2.906 . 0 0 "[ .]" 1
560 1 72 GLN HA 1 73 ARG H 5.000 . 5.000 3.558 3.549 3.569 . 0 0 "[ .]" 1
561 1 72 GLN HA 1 75 LEU H 5.000 . 5.000 3.540 3.409 3.784 . 0 0 "[ .]" 1
562 1 72 GLN HA 1 75 LEU QB 3.800 . 3.800 2.797 2.683 2.888 . 0 0 "[ .]" 1
563 1 72 GLN HA 1 75 LEU QD 3.800 . 3.800 2.553 2.298 3.401 . 0 0 "[ .]" 1
564 1 72 GLN HA 1 76 ALA MB 3.800 . 3.800 4.011 3.926 4.076 0.276 3 0 "[ .]" 1
565 1 72 GLN QB 1 73 ARG H 5.000 . 5.000 2.477 2.405 2.572 . 0 0 "[ .]" 1
566 1 72 GLN QE 1 75 LEU QD 5.000 . 5.000 4.513 3.992 5.091 0.091 1 0 "[ .]" 1
567 1 72 GLN QE 1 76 ALA MB 5.000 . 5.000 3.908 2.659 4.486 . 0 0 "[ .]" 1
568 1 72 GLN QG 1 73 ARG H 5.000 . 5.000 3.681 3.479 4.263 . 0 0 "[ .]" 1
569 1 73 ARG H 1 73 ARG QB 3.800 . 3.800 2.264 2.213 2.344 . 0 0 "[ .]" 1
570 1 73 ARG H 1 73 ARG QD 5.000 . 5.000 4.346 4.261 4.456 . 0 0 "[ .]" 1
571 1 73 ARG H 1 73 ARG QG 5.000 . 5.000 3.708 2.485 4.072 . 0 0 "[ .]" 1
572 1 73 ARG H 1 76 ALA MB 5.000 . 5.000 4.392 4.226 4.627 . 0 0 "[ .]" 1
573 1 73 ARG HA 1 73 ARG QB 2.800 . 2.800 2.371 2.328 2.405 . 0 0 "[ .]" 1
574 1 73 ARG HA 1 73 ARG QD 3.800 . 3.800 3.045 1.942 3.887 0.087 5 0 "[ .]" 1
575 1 73 ARG HA 1 73 ARG QG 3.800 . 3.800 2.589 2.259 2.933 . 0 0 "[ .]" 1
576 1 73 ARG HA 1 74 ILE H 5.000 . 5.000 3.510 3.493 3.527 . 0 0 "[ .]" 1
577 1 73 ARG HA 1 76 ALA H 5.000 . 5.000 3.373 3.174 3.626 . 0 0 "[ .]" 1
578 1 73 ARG HA 1 76 ALA MB 2.800 . 2.800 2.448 2.228 2.855 0.055 2 0 "[ .]" 1
579 1 73 ARG QB 1 73 ARG QD 2.800 . 2.800 2.434 2.084 2.834 0.034 1 0 "[ .]" 1
580 1 73 ARG QB 1 73 ARG HE 5.000 . 5.000 2.853 2.008 4.023 . 0 0 "[ .]" 1
581 1 73 ARG QB 1 76 ALA H 5.000 . 5.000 4.902 4.767 5.006 0.006 2 0 "[ .]" 1
582 1 73 ARG QD 1 76 ALA MB 5.000 . 5.000 4.188 2.513 5.118 0.118 4 0 "[ .]" 1
583 1 73 ARG QG 1 74 ILE H 5.000 . 5.000 3.904 3.378 4.297 . 0 0 "[ .]" 1
584 1 73 ARG QG 1 76 ALA H 5.000 . 5.000 5.054 5.002 5.111 0.111 2 0 "[ .]" 1
585 1 74 ILE H 1 74 ILE MD 5.000 . 5.000 3.187 2.333 3.467 . 0 0 "[ .]" 1
586 1 74 ILE H 1 74 ILE QG 5.000 . 5.000 2.534 2.223 3.484 . 0 0 "[ .]" 1
587 1 74 ILE H 1 75 LEU H 5.000 . 5.000 2.685 2.611 2.741 . 0 0 "[ .]" 1
588 1 74 ILE HA 1 74 ILE MD 3.800 . 3.800 3.644 2.986 3.821 0.021 1 0 "[ .]" 1
589 1 74 ILE HA 1 74 ILE QG 3.800 . 3.800 2.300 2.162 2.349 . 0 0 "[ .]" 1
590 1 74 ILE HA 1 75 LEU H 5.000 . 5.000 3.558 3.533 3.574 . 0 0 "[ .]" 1
591 1 74 ILE HA 1 76 ALA H 5.000 . 5.000 4.381 4.284 4.548 . 0 0 "[ .]" 1
592 1 74 ILE HA 1 77 LYS H 5.000 . 5.000 3.601 3.339 3.747 . 0 0 "[ .]" 1
593 1 74 ILE HA 1 77 LYS QD 5.000 . 5.000 4.399 3.837 5.017 0.017 4 0 "[ .]" 1
594 1 74 ILE HB 1 74 ILE MD 2.800 . 2.800 2.345 2.308 2.373 . 0 0 "[ .]" 1
595 1 74 ILE HB 1 75 LEU H 5.000 . 5.000 2.590 2.438 2.775 . 0 0 "[ .]" 1
596 1 74 ILE HB 1 75 LEU HA 5.000 . 5.000 4.566 4.380 4.761 . 0 0 "[ .]" 1
597 1 74 ILE MD 1 75 LEU H 5.000 . 5.000 4.422 4.235 4.558 . 0 0 "[ .]" 1
598 1 74 ILE QG 1 74 ILE MG 2.800 . 2.800 2.208 2.077 2.281 . 0 0 "[ .]" 1
599 1 74 ILE QG 1 75 LEU H 5.000 . 5.000 4.210 4.077 4.528 . 0 0 "[ .]" 1
600 1 74 ILE MG 1 75 LEU H 5.000 . 5.000 3.057 2.884 3.250 . 0 0 "[ .]" 1
601 1 74 ILE MG 1 75 LEU HA 3.800 . 3.800 3.224 3.082 3.386 . 0 0 "[ .]" 1
602 1 74 ILE MG 1 75 LEU QD 3.800 . 3.800 3.238 2.936 3.728 . 0 0 "[ .]" 1
603 1 74 ILE MG 1 78 ARG QD 5.000 . 5.000 4.455 3.979 4.794 . 0 0 "[ .]" 1
604 1 75 LEU H 1 75 LEU QD 5.000 . 5.000 3.115 2.984 3.546 . 0 0 "[ .]" 1
605 1 75 LEU H 1 75 LEU HG 5.000 . 5.000 2.630 2.108 4.510 . 0 0 "[ .]" 1
606 1 75 LEU H 1 76 ALA H 5.000 . 5.000 2.606 2.488 2.651 . 0 0 "[ .]" 1
607 1 75 LEU HA 1 75 LEU QD 3.800 . 3.800 2.156 2.064 2.197 . 0 0 "[ .]" 1
608 1 75 LEU HA 1 76 ALA H 5.000 . 5.000 3.513 3.497 3.526 . 0 0 "[ .]" 1
609 1 75 LEU HA 1 77 LYS H 5.000 . 5.000 4.016 3.827 4.327 . 0 0 "[ .]" 1
610 1 75 LEU HA 1 78 ARG H 5.000 . 5.000 4.081 3.858 4.349 . 0 0 "[ .]" 1
611 1 75 LEU HA 1 78 ARG QD 3.800 . 3.800 3.317 2.624 3.761 . 0 0 "[ .]" 1
612 1 75 LEU QB 1 76 ALA H 5.000 . 5.000 2.465 2.365 2.596 . 0 0 "[ .]" 1
613 1 75 LEU QD 1 76 ALA H 5.000 . 5.000 3.970 3.895 4.067 . 0 0 "[ .]" 1
614 1 76 ALA H 1 77 LYS H 5.000 . 5.000 2.542 2.421 2.620 . 0 0 "[ .]" 1
615 1 76 ALA HA 1 77 LYS H 3.800 . 3.800 3.385 3.318 3.489 . 0 0 "[ .]" 1
616 1 76 ALA MB 1 77 LYS H 5.000 . 5.000 3.073 2.914 3.216 . 0 0 "[ .]" 1
617 1 77 LYS H 1 77 LYS QB 3.800 . 3.800 2.348 2.217 2.764 . 0 0 "[ .]" 1
618 1 77 LYS H 1 77 LYS QD 5.000 . 5.000 4.143 3.329 4.710 . 0 0 "[ .]" 1
619 1 77 LYS H 1 77 LYS QG 5.000 . 5.000 3.573 1.868 4.027 . 0 0 "[ .]" 1
620 1 77 LYS H 1 78 ARG H 5.000 . 5.000 2.469 2.381 2.515 . 0 0 "[ .]" 1
621 1 77 LYS HA 1 77 LYS QB 2.800 . 2.800 2.342 2.162 2.423 . 0 0 "[ .]" 1
622 1 77 LYS HA 1 77 LYS QD 3.800 . 3.800 3.610 3.297 3.973 0.173 3 0 "[ .]" 1
623 1 77 LYS HA 1 77 LYS QG 3.800 . 3.800 2.588 2.312 3.439 . 0 0 "[ .]" 1
624 1 77 LYS HA 1 78 ARG H 5.000 . 5.000 3.412 3.374 3.464 . 0 0 "[ .]" 1
625 1 77 LYS HA 1 79 SER H 5.000 . 5.000 4.015 3.426 5.073 0.073 2 0 "[ .]" 1
626 1 77 LYS QB 1 77 LYS QE 3.800 . 3.800 3.341 2.052 3.773 . 0 0 "[ .]" 1
627 1 77 LYS QB 1 78 ARG H 5.000 . 5.000 3.168 2.884 3.807 . 0 0 "[ .]" 1
628 1 77 LYS QB 1 78 ARG QG 5.000 . 5.000 4.008 3.344 4.827 . 0 0 "[ .]" 1
629 1 77 LYS QD 1 78 ARG QG 3.800 . 3.800 3.633 2.926 4.099 0.299 2 0 "[ .]" 1
630 1 77 LYS QG 1 81 ARG QB 3.800 . 3.800 4.443 2.769 7.878 4.078 1 1 "[+ .]" 1
631 1 78 ARG H 1 78 ARG QB 3.800 . 3.800 2.468 2.229 2.971 . 0 0 "[ .]" 1
632 1 78 ARG H 1 78 ARG QG 5.000 . 5.000 2.534 1.968 3.581 . 0 0 "[ .]" 1
633 1 78 ARG H 1 79 SER H 5.000 . 5.000 3.329 2.134 4.197 . 0 0 "[ .]" 1
634 1 78 ARG HA 1 78 ARG QD 3.800 . 3.800 3.709 2.807 4.066 0.266 3 0 "[ .]" 1
635 1 78 ARG HA 1 78 ARG QG 3.800 . 3.800 2.533 2.252 3.441 . 0 0 "[ .]" 1
636 1 78 ARG HA 1 79 SER H 5.000 . 5.000 2.625 2.154 3.197 . 0 0 "[ .]" 1
637 1 78 ARG QB 1 78 ARG HE 5.000 . 5.000 2.609 2.034 4.063 . 0 0 "[ .]" 1
638 1 78 ARG QB 1 79 SER H 5.000 . 5.000 3.816 3.641 3.909 . 0 0 "[ .]" 1
639 1 79 SER H 1 80 PRO QD 5.000 . 5.000 3.850 1.838 4.368 . 0 0 "[ .]" 1
640 1 79 SER HA 1 80 PRO QD 2.800 . 2.800 2.530 2.154 3.478 0.678 5 1 "[ +]" 1
641 1 79 SER QB 1 81 ARG H 5.000 . 5.000 3.102 2.474 4.359 . 0 0 "[ .]" 1
642 1 80 PRO HA 1 80 PRO QD 3.800 . 3.800 3.412 3.349 3.469 . 0 0 "[ .]" 1
643 1 80 PRO HA 1 80 PRO QG 3.800 . 3.800 3.309 2.973 3.499 . 0 0 "[ .]" 1
644 1 80 PRO HA 1 81 ARG H 3.800 . 3.800 3.127 2.838 3.466 . 0 0 "[ .]" 1
645 1 80 PRO QB 1 81 ARG H 5.000 . 5.000 3.581 2.876 3.969 . 0 0 "[ .]" 1
646 1 80 PRO QB 1 81 ARG HA 5.000 . 5.000 4.393 4.351 4.432 . 0 0 "[ .]" 1
647 1 80 PRO QD 1 81 ARG H 5.000 . 5.000 3.165 2.388 3.796 . 0 0 "[ .]" 1
648 1 80 PRO QG 1 81 ARG H 3.800 . 3.800 3.880 3.827 3.966 0.166 3 0 "[ .]" 1
649 1 81 ARG H 1 81 ARG QD 5.000 . 5.000 4.619 4.313 5.015 0.015 4 0 "[ .]" 1
650 1 81 ARG H 1 81 ARG QG 5.000 . 5.000 3.710 2.402 4.292 . 0 0 "[ .]" 1
651 1 81 ARG HA 1 81 ARG QG 3.800 . 3.800 2.604 2.386 2.841 . 0 0 "[ .]" 1
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