NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
624458 |
5x0s   |
36047 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5x0s
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 699
_Distance_constraint_stats_list.Viol_count 1086
_Distance_constraint_stats_list.Viol_total 8381.180
_Distance_constraint_stats_list.Viol_max 4.701
_Distance_constraint_stats_list.Viol_rms 0.2560
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0300
_Distance_constraint_stats_list.Viol_average_violations_only 0.3859
_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 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 VAL 4.383 1.565 20 3 "[ - . 1 * +]"
1 3 ILE 7.102 1.139 10 8 "[** * *- +* * 2]"
1 4 LYS 0.422 0.047 16 0 "[ . 1 . 2]"
1 5 LYS 73.756 3.804 10 20 [*********+*-********]
1 6 ASP 0.871 0.078 14 0 "[ . 1 . 2]"
1 7 THR 3.515 0.511 11 1 "[ . 1+ . 2]"
1 8 PRO 16.524 1.465 9 6 "[ * .** +1* * 2]"
1 9 TYR 2.770 0.669 11 1 "[ . 1+ . 2]"
1 10 LYS 17.372 1.465 9 6 "[ * .** +1* * 2]"
1 11 LYS 1.155 0.111 10 0 "[ . 1 . 2]"
1 12 ARG 2.201 0.669 11 1 "[ . 1+ . 2]"
1 15 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TYR 10.639 1.396 2 7 "[ + **- *1 * . * 2]"
1 17 LYS 14.472 1.936 17 7 "[ * *.- **1 *. + 2]"
1 18 SER 5.912 1.396 2 4 "[ + -* 1 * . 2]"
1 19 GLU 1.498 0.106 9 0 "[ . 1 . 2]"
1 20 CYS 18.512 1.936 17 9 "[ * *.* **1 * *.*+ 2]"
1 21 LEU 2.473 0.138 4 0 "[ . 1 . 2]"
1 22 LYS 0.120 0.027 2 0 "[ . 1 . 2]"
1 23 ALA 0.648 0.092 4 0 "[ . 1 . 2]"
1 24 CYS 1.537 0.153 14 0 "[ . 1 . 2]"
1 25 ALA 124.394 4.701 14 20 [***********-*+******]
1 26 THR 0.137 0.029 4 0 "[ . 1 . 2]"
1 27 SER 17.447 1.316 18 15 "[******* ** *-** *+ 2]"
1 28 PHE 0.002 0.002 10 0 "[ . 1 . 2]"
1 29 THR 24.393 1.942 5 17 "[****+***** *-** ***2]"
1 30 GLY 4.179 1.320 13 3 "[ . -1 + * 2]"
1 31 GLY 7.085 1.942 5 5 "[ +* -*1 . *2]"
1 32 ASP 3.968 1.320 13 3 "[ . -1 + * 2]"
1 33 GLU 0.946 0.136 12 0 "[ . 1 . 2]"
1 34 SER 2.843 0.778 4 1 "[ +. 1 . 2]"
1 35 ARG 231.329 4.701 14 20 [***********-*+******]
1 36 ILE 41.413 2.919 3 18 "[**+** ***********-*]"
1 37 GLN 3.629 0.778 4 1 "[ +. 1 . 2]"
1 38 GLU 4.409 0.150 17 0 "[ . 1 . 2]"
1 39 GLY 2.291 0.150 17 0 "[ . 1 . 2]"
1 40 LYS 12.477 1.818 5 9 "[** *+ -1* * **]"
1 41 PRO 4.394 0.792 16 2 "[ . -1 .+ 2]"
1 42 GLY 2.931 0.127 10 0 "[ . 1 . 2]"
1 43 PHE 0.282 0.043 13 0 "[ . 1 . 2]"
1 44 PHE 1.358 0.099 9 0 "[ . 1 . 2]"
1 45 LYS 3.168 0.111 10 0 "[ . 1 . 2]"
1 46 CYS 0.860 0.087 9 0 "[ . 1 . 2]"
1 47 THR 4.695 0.511 11 1 "[ . 1+ . 2]"
1 48 CYS 0.069 0.033 4 0 "[ . 1 . 2]"
1 49 TYR 76.701 2.188 14 20 [********-****+******]
1 50 PHE 5.472 0.546 11 3 "[ . - 1+ . *2]"
1 51 THR 1.379 0.134 19 0 "[ . 1 . 2]"
1 52 THR 66.413 4.291 13 19 "[*******-****+*** ***]"
1 53 GLY 0.370 0.089 9 0 "[ . 1 . 2]"
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 GLU HA 1 2 VAL H 1.800 . 4.000 2.938 2.157 3.574 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLU HA 1 2 VAL MG1 1.800 . 6.000 4.570 3.699 5.831 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLU HA 1 2 VAL MG2 1.800 . 6.000 4.410 3.223 5.802 . 0 0 "[ . 1 . 2]" 1
4 1 1 GLU HB2 1 2 VAL H 1.800 . 5.000 3.569 1.908 4.619 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLU HB3 1 2 VAL H 1.800 . 5.000 3.617 1.802 4.485 . 0 0 "[ . 1 . 2]" 1
6 1 1 GLU HG2 1 2 VAL H 1.800 . 6.000 4.805 4.000 5.844 . 0 0 "[ . 1 . 2]" 1
7 1 1 GLU HG3 1 2 VAL H 1.800 . 6.000 4.936 3.654 5.940 . 0 0 "[ . 1 . 2]" 1
8 1 2 VAL H 1 2 VAL HA 1.800 . 3.000 2.775 2.293 2.957 . 0 0 "[ . 1 . 2]" 1
9 1 2 VAL H 1 2 VAL HB 1.800 . 4.000 3.460 2.317 3.906 . 0 0 "[ . 1 . 2]" 1
10 1 2 VAL H 1 2 VAL MG1 1.800 . 6.000 2.847 1.985 3.987 . 0 0 "[ . 1 . 2]" 1
11 1 2 VAL H 1 2 VAL MG2 1.800 . 6.000 2.395 1.800 4.018 . 0 0 "[ . 1 . 2]" 1
12 1 2 VAL H 1 3 ILE H 1.800 . 5.000 4.030 2.447 4.649 . 0 0 "[ . 1 . 2]" 1
13 1 2 VAL HA 1 3 ILE H 1.800 . 4.000 2.513 2.143 3.463 . 0 0 "[ . 1 . 2]" 1
14 1 2 VAL HA 1 3 ILE MD 1.800 . 6.000 5.216 2.616 6.027 0.027 11 0 "[ . 1 . 2]" 1
15 1 2 VAL HA 1 3 ILE QG 1.800 . 6.000 4.792 3.010 5.634 . 0 0 "[ . 1 . 2]" 1
16 1 2 VAL HA 1 3 ILE MG 1.800 . 6.000 4.375 3.019 5.523 . 0 0 "[ . 1 . 2]" 1
17 1 2 VAL HA 1 50 PHE H 1.800 . 6.000 5.642 4.191 6.013 0.013 19 0 "[ . 1 . 2]" 1
18 1 2 VAL HA 1 52 THR H 1.800 . 4.500 4.436 2.974 6.065 1.565 20 3 "[ - . 1 * +]" 1
19 1 2 VAL HB 1 3 ILE H 1.800 . 5.000 3.450 1.745 4.410 0.055 5 0 "[ . 1 . 2]" 1
20 1 2 VAL HB 1 3 ILE HA 1.800 . 6.000 5.272 4.351 6.054 0.054 4 0 "[ . 1 . 2]" 1
21 1 2 VAL HB 1 51 THR HA 1.800 . 6.000 4.887 3.633 5.927 . 0 0 "[ . 1 . 2]" 1
22 1 2 VAL MG1 1 3 ILE H 1.800 . 6.000 3.480 1.936 4.352 . 0 0 "[ . 1 . 2]" 1
23 1 2 VAL MG1 1 50 PHE H 1.800 . 6.000 4.919 2.525 5.927 . 0 0 "[ . 1 . 2]" 1
24 1 2 VAL MG1 1 51 THR HA 1.800 . 6.000 4.215 2.995 6.026 0.026 11 0 "[ . 1 . 2]" 1
25 1 2 VAL MG1 1 52 THR H 1.800 . 5.500 3.702 2.089 5.539 0.039 16 0 "[ . 1 . 2]" 1
26 1 2 VAL MG2 1 3 ILE H 1.800 . 6.000 3.526 1.792 4.436 0.008 8 0 "[ . 1 . 2]" 1
27 1 2 VAL MG2 1 3 ILE HA 1.800 . 6.000 4.794 3.658 5.853 . 0 0 "[ . 1 . 2]" 1
28 1 2 VAL MG2 1 49 TYR HA 1.800 . 6.000 4.895 3.764 6.040 0.040 5 0 "[ . 1 . 2]" 1
29 1 2 VAL MG2 1 50 PHE H 1.800 . 6.000 4.562 2.780 5.941 . 0 0 "[ . 1 . 2]" 1
30 1 2 VAL MG2 1 51 THR HA 1.800 . 6.000 4.679 3.073 5.873 . 0 0 "[ . 1 . 2]" 1
31 1 2 VAL MG2 1 52 THR H 1.800 . 6.000 4.495 2.472 5.979 . 0 0 "[ . 1 . 2]" 1
32 1 3 ILE H 1 3 ILE HA 1.800 . 3.000 2.696 2.290 2.956 . 0 0 "[ . 1 . 2]" 1
33 1 3 ILE H 1 3 ILE MD 1.800 . 6.000 3.893 1.828 4.873 . 0 0 "[ . 1 . 2]" 1
34 1 3 ILE H 1 3 ILE HG12 1.800 . 6.000 3.904 2.691 4.767 . 0 0 "[ . 1 . 2]" 1
35 1 3 ILE H 1 3 ILE HG13 1.800 . 6.000 3.650 2.546 4.652 . 0 0 "[ . 1 . 2]" 1
36 1 3 ILE H 1 3 ILE MG 1.800 . 6.000 2.877 1.732 4.088 0.068 11 0 "[ . 1 . 2]" 1
37 1 3 ILE H 1 4 LYS H 1.800 . 5.000 4.483 4.060 4.655 . 0 0 "[ . 1 . 2]" 1
38 1 3 ILE H 1 52 THR H 1.800 . 6.000 5.221 3.969 6.052 0.052 12 0 "[ . 1 . 2]" 1
39 1 3 ILE HA 1 4 LYS H 1.800 . 4.000 2.264 2.152 2.490 . 0 0 "[ . 1 . 2]" 1
40 1 3 ILE HA 1 4 LYS HA 1.800 . 6.000 4.419 4.382 4.522 . 0 0 "[ . 1 . 2]" 1
41 1 3 ILE HA 1 4 LYS QD 1.800 . 6.000 5.421 2.278 6.044 0.044 18 0 "[ . 1 . 2]" 1
42 1 3 ILE HB 1 4 LYS H 1.800 . 5.000 3.835 2.626 4.390 . 0 0 "[ . 1 . 2]" 1
43 1 3 ILE MD 1 4 LYS H 1.800 . 6.000 4.343 3.475 5.141 . 0 0 "[ . 1 . 2]" 1
44 1 3 ILE MD 1 35 ARG H 1.800 . 6.000 5.760 4.985 6.030 0.030 5 0 "[ . 1 . 2]" 1
45 1 3 ILE MD 1 49 TYR HA 1.800 . 6.000 5.419 2.502 6.005 0.005 14 0 "[ . 1 . 2]" 1
46 1 3 ILE MD 1 50 PHE H 1.800 . 6.000 4.083 1.923 4.805 . 0 0 "[ . 1 . 2]" 1
47 1 3 ILE MD 1 52 THR H 1.800 . 6.000 5.648 2.888 7.139 1.139 10 8 "[** * *- +* * 2]" 1
48 1 3 ILE MD 1 52 THR HB 1.800 . 6.000 4.745 2.120 6.028 0.028 16 0 "[ . 1 . 2]" 1
49 1 3 ILE HG12 1 4 LYS H 1.800 . 6.000 3.496 1.872 4.557 . 0 0 "[ . 1 . 2]" 1
50 1 3 ILE HG13 1 4 LYS H 1.800 . 6.000 3.604 1.796 5.259 0.004 15 0 "[ . 1 . 2]" 1
51 1 3 ILE MG 1 4 LYS H 1.800 . 6.000 3.145 1.801 4.294 . 0 0 "[ . 1 . 2]" 1
52 1 3 ILE MG 1 35 ARG H 1.800 . 6.000 5.976 5.630 6.082 0.082 12 0 "[ . 1 . 2]" 1
53 1 3 ILE MG 1 50 PHE H 1.800 . 6.000 2.754 1.977 4.082 . 0 0 "[ . 1 . 2]" 1
54 1 3 ILE MG 1 52 THR H 1.800 . 6.000 5.219 3.920 6.005 0.005 20 0 "[ . 1 . 2]" 1
55 1 3 ILE MG 1 52 THR HB 1.800 . 6.000 5.094 3.051 6.007 0.007 14 0 "[ . 1 . 2]" 1
56 1 4 LYS H 1 4 LYS HA 1.800 . 3.000 2.953 2.923 2.962 . 0 0 "[ . 1 . 2]" 1
57 1 4 LYS H 1 4 LYS HD2 1.800 . 6.000 4.693 1.826 5.700 . 0 0 "[ . 1 . 2]" 1
58 1 4 LYS H 1 4 LYS HD3 1.800 . 6.000 4.689 1.971 5.911 . 0 0 "[ . 1 . 2]" 1
59 1 4 LYS H 1 4 LYS HG2 1.800 . 6.000 3.725 2.272 4.777 . 0 0 "[ . 1 . 2]" 1
60 1 4 LYS H 1 4 LYS HG3 1.800 . 6.000 3.643 1.851 4.939 . 0 0 "[ . 1 . 2]" 1
61 1 4 LYS H 1 5 LYS H 1.800 . 5.000 4.250 3.953 4.423 . 0 0 "[ . 1 . 2]" 1
62 1 4 LYS HA 1 5 LYS H 1.800 . 3.000 2.171 2.139 2.296 . 0 0 "[ . 1 . 2]" 1
63 1 4 LYS HA 1 47 THR MG 1.800 . 6.000 5.954 5.539 6.047 0.047 16 0 "[ . 1 . 2]" 1
64 1 4 LYS HA 1 48 CYS H 1.800 . 6.000 5.206 4.693 5.967 . 0 0 "[ . 1 . 2]" 1
65 1 4 LYS HA 1 49 TYR HA 1.800 . 5.000 3.003 2.201 3.851 . 0 0 "[ . 1 . 2]" 1
66 1 4 LYS HA 1 50 PHE H 1.800 . 5.000 4.223 3.023 4.928 . 0 0 "[ . 1 . 2]" 1
67 1 4 LYS HB2 1 5 LYS H 1.800 . 5.000 4.110 2.747 4.599 . 0 0 "[ . 1 . 2]" 1
68 1 4 LYS HB3 1 5 LYS H 1.800 . 5.000 4.014 3.473 4.453 . 0 0 "[ . 1 . 2]" 1
69 1 4 LYS HD2 1 5 LYS H 1.800 . 6.000 5.305 3.759 6.017 0.017 7 0 "[ . 1 . 2]" 1
70 1 4 LYS HD3 1 5 LYS H 1.800 . 6.000 5.322 3.515 6.012 0.012 10 0 "[ . 1 . 2]" 1
71 1 4 LYS HG2 1 5 LYS H 1.800 . 6.000 4.278 2.245 5.645 . 0 0 "[ . 1 . 2]" 1
72 1 4 LYS HG3 1 5 LYS H 1.800 . 6.000 4.423 3.078 5.748 . 0 0 "[ . 1 . 2]" 1
73 1 5 LYS H 1 5 LYS HA 1.800 . 3.000 2.956 2.933 2.961 . 0 0 "[ . 1 . 2]" 1
74 1 5 LYS H 1 5 LYS QD 1.800 . 6.000 4.247 3.567 4.760 . 0 0 "[ . 1 . 2]" 1
75 1 5 LYS H 1 5 LYS HG2 1.800 . 6.000 4.091 2.668 4.936 . 0 0 "[ . 1 . 2]" 1
76 1 5 LYS H 1 5 LYS HG3 1.800 . 6.000 3.998 1.800 4.771 . 0 0 "[ . 1 . 2]" 1
77 1 5 LYS H 1 6 ASP H 1.800 . 5.000 4.084 3.926 4.385 . 0 0 "[ . 1 . 2]" 1
78 1 5 LYS H 1 6 ASP HA 1.800 . 5.000 4.833 4.638 4.999 . 0 0 "[ . 1 . 2]" 1
79 1 5 LYS H 1 47 THR HA 1.800 . 6.000 5.253 4.812 5.582 . 0 0 "[ . 1 . 2]" 1
80 1 5 LYS H 1 47 THR MG 1.800 . 6.000 5.555 5.033 5.807 . 0 0 "[ . 1 . 2]" 1
81 1 5 LYS H 1 48 CYS H 1.800 . 4.500 3.597 3.075 4.141 . 0 0 "[ . 1 . 2]" 1
82 1 5 LYS H 1 48 CYS HB2 1.800 . 6.000 4.127 3.338 5.849 . 0 0 "[ . 1 . 2]" 1
83 1 5 LYS H 1 48 CYS HB3 1.800 . 6.000 5.441 4.825 6.033 0.033 4 0 "[ . 1 . 2]" 1
84 1 5 LYS H 1 49 TYR H 1.800 . 6.000 4.616 4.332 5.115 . 0 0 "[ . 1 . 2]" 1
85 1 5 LYS H 1 49 TYR HA 1.800 . 4.000 2.750 2.342 3.221 . 0 0 "[ . 1 . 2]" 1
86 1 5 LYS H 1 49 TYR QB 1.800 . 6.000 4.566 4.091 5.231 . 0 0 "[ . 1 . 2]" 1
87 1 5 LYS H 1 49 TYR QD 1.800 . 6.000 3.956 3.274 4.916 . 0 0 "[ . 1 . 2]" 1
88 1 5 LYS H 1 49 TYR QE 1.800 . 6.000 4.828 4.218 5.604 . 0 0 "[ . 1 . 2]" 1
89 1 5 LYS H 1 50 PHE H 1.800 . 4.500 4.341 3.789 4.528 0.028 13 0 "[ . 1 . 2]" 1
90 1 5 LYS HA 1 6 ASP H 1.800 . 3.000 2.177 2.146 2.195 . 0 0 "[ . 1 . 2]" 1
91 1 5 LYS HA 1 48 CYS H 1.800 . 6.000 4.670 4.439 5.102 . 0 0 "[ . 1 . 2]" 1
92 1 5 LYS HB2 1 6 ASP H 1.800 . 6.000 4.358 3.263 4.621 . 0 0 "[ . 1 . 2]" 1
93 1 5 LYS HB3 1 6 ASP H 1.800 . 6.000 4.160 3.661 4.525 . 0 0 "[ . 1 . 2]" 1
94 1 5 LYS QD 1 6 ASP H 1.800 . 6.000 3.538 1.985 5.025 . 0 0 "[ . 1 . 2]" 1
95 1 5 LYS QD 1 25 ALA H 1.800 . 6.000 8.067 5.606 9.804 3.804 10 18 "[*********+ -*** ****]" 1
96 1 5 LYS QD 1 49 TYR H 1.800 . 6.000 6.801 4.873 7.792 1.792 10 16 "[*******-*+ ** ****]" 1
97 1 5 LYS QG 1 35 ARG H 1.800 . 6.000 6.669 5.983 7.186 1.186 14 14 "[ ****** 1*-*+.****2]" 1
98 1 5 LYS QG 1 36 ILE H 1.800 . 6.000 5.969 5.532 6.082 0.082 4 0 "[ . 1 . 2]" 1
99 1 5 LYS QG 1 48 CYS H 1.800 . 6.000 4.551 3.606 5.508 . 0 0 "[ . 1 . 2]" 1
100 1 5 LYS QG 1 49 TYR H 1.800 . 6.000 5.454 4.445 5.971 . 0 0 "[ . 1 . 2]" 1
101 1 5 LYS HG2 1 6 ASP H 1.800 . 6.000 4.891 3.706 5.658 . 0 0 "[ . 1 . 2]" 1
102 1 5 LYS HG3 1 6 ASP H 1.800 . 6.000 4.331 3.057 5.795 . 0 0 "[ . 1 . 2]" 1
103 1 6 ASP H 1 6 ASP HA 1.800 . 3.000 2.954 2.941 2.962 . 0 0 "[ . 1 . 2]" 1
104 1 6 ASP H 1 7 THR H 1.800 . 5.000 4.423 4.174 4.539 . 0 0 "[ . 1 . 2]" 1
105 1 6 ASP H 1 47 THR HA 1.800 . 6.000 4.503 4.141 4.868 . 0 0 "[ . 1 . 2]" 1
106 1 6 ASP H 1 47 THR HB 1.800 . 6.000 6.025 5.882 6.078 0.078 14 0 "[ . 1 . 2]" 1
107 1 6 ASP H 1 47 THR MG 1.800 . 6.000 5.078 4.462 6.072 0.072 15 0 "[ . 1 . 2]" 1
108 1 6 ASP H 1 48 CYS H 1.800 . 6.000 4.130 3.889 4.471 . 0 0 "[ . 1 . 2]" 1
109 1 6 ASP HA 1 7 THR H 1.800 . 3.000 2.197 2.143 2.276 . 0 0 "[ . 1 . 2]" 1
110 1 6 ASP HA 1 46 CYS H 1.800 . 6.000 4.869 4.398 5.325 . 0 0 "[ . 1 . 2]" 1
111 1 6 ASP HA 1 47 THR H 1.800 . 6.000 4.722 4.421 5.076 . 0 0 "[ . 1 . 2]" 1
112 1 6 ASP HA 1 47 THR HA 1.800 . 4.500 2.226 2.146 2.467 . 0 0 "[ . 1 . 2]" 1
113 1 6 ASP HA 1 47 THR MG 1.800 . 6.000 3.855 2.930 4.855 . 0 0 "[ . 1 . 2]" 1
114 1 6 ASP HA 1 48 CYS H 1.800 . 4.000 2.396 1.896 2.743 . 0 0 "[ . 1 . 2]" 1
115 1 6 ASP HB2 1 7 THR H 1.800 . 5.000 3.270 2.769 4.146 . 0 0 "[ . 1 . 2]" 1
116 1 6 ASP HB2 1 48 CYS H 1.800 . 6.000 4.029 3.229 5.532 . 0 0 "[ . 1 . 2]" 1
117 1 6 ASP HB3 1 7 THR H 1.800 . 5.000 4.083 3.158 4.263 . 0 0 "[ . 1 . 2]" 1
118 1 6 ASP HB3 1 48 CYS H 1.800 . 6.000 3.486 2.870 4.890 . 0 0 "[ . 1 . 2]" 1
119 1 7 THR H 1 7 THR HA 1.800 . 3.000 2.950 2.941 2.958 . 0 0 "[ . 1 . 2]" 1
120 1 7 THR H 1 7 THR HB 1.800 . 4.000 3.406 2.539 3.796 . 0 0 "[ . 1 . 2]" 1
121 1 7 THR H 1 7 THR MG 1.800 . 6.000 2.125 1.787 2.602 0.013 5 0 "[ . 1 . 2]" 1
122 1 7 THR H 1 21 LEU HA 1.800 . 6.000 6.028 5.854 6.077 0.077 11 0 "[ . 1 . 2]" 1
123 1 7 THR H 1 23 ALA MB 1.800 . 6.000 5.342 4.729 6.029 0.029 12 0 "[ . 1 . 2]" 1
124 1 7 THR H 1 24 CYS QB 1.800 . 6.000 4.506 3.625 5.152 . 0 0 "[ . 1 . 2]" 1
125 1 7 THR H 1 45 LYS HA 1.800 . 6.000 5.557 5.051 6.027 0.027 4 0 "[ . 1 . 2]" 1
126 1 7 THR H 1 46 CYS H 1.800 . 4.500 3.600 3.043 4.021 . 0 0 "[ . 1 . 2]" 1
127 1 7 THR H 1 47 THR H 1.800 . 6.000 5.020 4.718 5.294 . 0 0 "[ . 1 . 2]" 1
128 1 7 THR H 1 47 THR HA 1.800 . 4.000 3.601 3.193 3.907 . 0 0 "[ . 1 . 2]" 1
129 1 7 THR H 1 47 THR HB 1.800 . 6.000 6.068 5.565 6.511 0.511 11 1 "[ . 1+ . 2]" 1
130 1 7 THR H 1 47 THR MG 1.800 . 6.000 4.767 3.974 6.041 0.041 15 0 "[ . 1 . 2]" 1
131 1 7 THR H 1 48 CYS H 1.800 . 4.500 4.238 3.605 4.513 0.013 10 0 "[ . 1 . 2]" 1
132 1 7 THR MG 1 23 ALA H 1.800 . 6.000 4.574 3.943 5.579 . 0 0 "[ . 1 . 2]" 1
133 1 7 THR MG 1 23 ALA MB 1.800 . 5.000 2.660 2.021 3.652 . 0 0 "[ . 1 . 2]" 1
134 1 7 THR MG 1 24 CYS H 1.800 . 5.000 2.873 2.320 3.581 . 0 0 "[ . 1 . 2]" 1
135 1 7 THR MG 1 24 CYS HA 1.800 . 4.500 2.432 2.030 3.632 . 0 0 "[ . 1 . 2]" 1
136 1 7 THR MG 1 25 ALA H 1.800 . 6.000 4.714 4.261 5.273 . 0 0 "[ . 1 . 2]" 1
137 1 7 THR MG 1 46 CYS H 1.800 . 6.000 4.298 3.183 5.360 . 0 0 "[ . 1 . 2]" 1
138 1 7 THR MG 1 47 THR H 1.800 . 6.000 5.527 5.023 6.024 0.024 18 0 "[ . 1 . 2]" 1
139 1 7 THR MG 1 48 CYS H 1.800 . 6.000 4.737 3.753 5.916 . 0 0 "[ . 1 . 2]" 1
140 1 8 PRO HA 1 9 TYR H 1.800 . 4.000 2.264 2.175 2.373 . 0 0 "[ . 1 . 2]" 1
141 1 8 PRO HA 1 10 LYS H 1.800 . 5.000 5.099 3.651 6.465 1.465 9 6 "[ * .-* +1* * 2]" 1
142 1 8 PRO HA 1 46 CYS H 1.800 . 4.000 3.831 3.386 4.039 0.039 12 0 "[ . 1 . 2]" 1
143 1 8 PRO QB 1 10 LYS H 1.800 . 5.000 4.814 3.651 6.339 1.339 11 6 "[ * .** -1+ * 2]" 1
144 1 8 PRO HB2 1 9 TYR H 1.800 . 5.000 3.216 2.701 3.732 . 0 0 "[ . 1 . 2]" 1
145 1 8 PRO HB3 1 9 TYR H 1.800 . 5.000 3.964 3.670 4.281 . 0 0 "[ . 1 . 2]" 1
146 1 8 PRO HG2 1 9 TYR H 1.800 . 6.000 4.730 4.377 5.002 . 0 0 "[ . 1 . 2]" 1
147 1 8 PRO HG3 1 9 TYR H 1.800 . 6.000 5.478 5.161 5.723 . 0 0 "[ . 1 . 2]" 1
148 1 9 TYR H 1 9 TYR HA 1.800 . 3.000 2.902 2.766 2.957 . 0 0 "[ . 1 . 2]" 1
149 1 9 TYR H 1 9 TYR QD 1.800 . 5.000 4.343 4.154 4.511 . 0 0 "[ . 1 . 2]" 1
150 1 9 TYR H 1 10 LYS H 1.800 . 6.000 3.081 1.769 4.362 0.031 19 0 "[ . 1 . 2]" 1
151 1 9 TYR H 1 10 LYS HA 1.800 . 6.000 4.661 4.001 5.864 . 0 0 "[ . 1 . 2]" 1
152 1 9 TYR H 1 10 LYS HB2 1.800 . 6.000 4.723 3.901 6.062 0.062 2 0 "[ . 1 . 2]" 1
153 1 9 TYR H 1 10 LYS HB3 1.800 . 6.000 5.304 4.352 6.027 0.027 6 0 "[ . 1 . 2]" 1
154 1 9 TYR H 1 10 LYS QG 1.800 . 6.000 4.760 2.867 6.063 0.063 9 0 "[ . 1 . 2]" 1
155 1 9 TYR H 1 44 PHE HB2 1.800 . 6.000 5.835 4.880 6.074 0.074 7 0 "[ . 1 . 2]" 1
156 1 9 TYR H 1 44 PHE HB3 1.800 . 6.000 5.544 4.960 6.033 0.033 16 0 "[ . 1 . 2]" 1
157 1 9 TYR H 1 45 LYS H 1.800 . 6.000 4.066 2.477 5.200 . 0 0 "[ . 1 . 2]" 1
158 1 9 TYR H 1 45 LYS HA 1.800 . 4.000 2.484 1.774 3.511 0.026 11 0 "[ . 1 . 2]" 1
159 1 9 TYR H 1 46 CYS H 1.800 . 5.000 4.510 3.878 5.021 0.021 4 0 "[ . 1 . 2]" 1
160 1 9 TYR HA 1 10 LYS H 1.800 . 4.000 3.007 2.363 3.581 . 0 0 "[ . 1 . 2]" 1
161 1 9 TYR HA 1 11 LYS H 1.800 . 5.000 3.945 2.753 5.048 0.048 16 0 "[ . 1 . 2]" 1
162 1 9 TYR HA 1 12 ARG H 1.800 . 6.000 5.220 3.561 6.046 0.046 10 0 "[ . 1 . 2]" 1
163 1 9 TYR QB 1 10 LYS H 1.800 . 5.000 2.849 1.754 4.054 0.046 18 0 "[ . 1 . 2]" 1
164 1 9 TYR QB 1 12 ARG H 1.800 . 6.000 5.149 4.264 6.669 0.669 11 1 "[ . 1+ . 2]" 1
165 1 9 TYR QB 1 45 LYS H 1.800 . 6.000 3.016 1.920 4.595 . 0 0 "[ . 1 . 2]" 1
166 1 9 TYR QB 1 46 CYS H 1.800 . 6.000 4.236 3.632 4.792 . 0 0 "[ . 1 . 2]" 1
167 1 9 TYR QD 1 10 LYS H 1.800 . 6.000 3.460 1.822 4.608 . 0 0 "[ . 1 . 2]" 1
168 1 9 TYR QD 1 12 ARG H 1.800 . 5.000 3.794 2.443 5.539 0.539 11 1 "[ . 1+ . 2]" 1
169 1 9 TYR QD 1 23 ALA H 1.800 . 6.000 5.480 4.844 6.007 0.007 2 0 "[ . 1 . 2]" 1
170 1 9 TYR QD 1 23 ALA MB 1.800 . 6.000 3.888 3.016 4.552 . 0 0 "[ . 1 . 2]" 1
171 1 9 TYR QD 1 45 LYS H 1.800 . 6.000 3.848 3.459 4.301 . 0 0 "[ . 1 . 2]" 1
172 1 9 TYR QE 1 10 LYS H 1.800 . 6.000 5.041 3.212 6.044 0.044 13 0 "[ . 1 . 2]" 1
173 1 9 TYR QE 1 12 ARG H 1.800 . 5.000 3.215 1.866 5.042 0.042 9 0 "[ . 1 . 2]" 1
174 1 9 TYR QE 1 23 ALA H 1.800 . 6.000 5.713 5.148 6.045 0.045 8 0 "[ . 1 . 2]" 1
175 1 9 TYR QE 1 44 PHE H 1.800 . 6.000 4.710 3.899 6.092 0.092 11 0 "[ . 1 . 2]" 1
176 1 9 TYR QE 1 45 LYS H 1.800 . 6.000 5.859 5.394 6.058 0.058 9 0 "[ . 1 . 2]" 1
177 1 10 LYS H 1 10 LYS HA 1.800 . 3.000 2.490 2.294 2.890 . 0 0 "[ . 1 . 2]" 1
178 1 10 LYS H 1 10 LYS HB2 1.800 . 4.000 3.213 2.333 4.061 0.061 2 0 "[ . 1 . 2]" 1
179 1 10 LYS H 1 10 LYS HB3 1.800 . 4.000 3.611 2.565 3.984 . 0 0 "[ . 1 . 2]" 1
180 1 10 LYS H 1 10 LYS HD2 1.800 . 6.000 4.694 2.012 5.857 . 0 0 "[ . 1 . 2]" 1
181 1 10 LYS H 1 10 LYS HD3 1.800 . 6.000 4.685 2.491 5.951 . 0 0 "[ . 1 . 2]" 1
182 1 10 LYS H 1 10 LYS HG2 1.800 . 6.000 4.078 2.400 5.393 . 0 0 "[ . 1 . 2]" 1
183 1 10 LYS H 1 10 LYS HG3 1.800 . 6.000 3.803 1.794 5.263 0.006 8 0 "[ . 1 . 2]" 1
184 1 10 LYS H 1 11 LYS H 1.800 . 5.000 3.163 2.109 4.098 . 0 0 "[ . 1 . 2]" 1
185 1 10 LYS H 1 11 LYS HA 1.800 . 6.000 5.183 3.838 5.981 . 0 0 "[ . 1 . 2]" 1
186 1 10 LYS H 1 12 ARG H 1.800 . 6.000 4.745 2.883 6.164 0.164 13 0 "[ . 1 . 2]" 1
187 1 10 LYS H 1 44 PHE HA 1.800 . 5.000 3.337 1.831 5.074 0.074 15 0 "[ . 1 . 2]" 1
188 1 10 LYS HA 1 11 LYS H 1.800 . 4.000 3.141 2.273 3.568 . 0 0 "[ . 1 . 2]" 1
189 1 10 LYS HA 1 12 ARG H 1.800 . 5.500 4.785 3.031 5.520 0.020 3 0 "[ . 1 . 2]" 1
190 1 10 LYS HB2 1 11 LYS H 1.800 . 5.000 3.722 1.723 4.645 0.077 8 0 "[ . 1 . 2]" 1
191 1 10 LYS HB3 1 11 LYS H 1.800 . 5.000 3.581 1.871 4.628 . 0 0 "[ . 1 . 2]" 1
192 1 10 LYS HD2 1 11 LYS H 1.800 . 6.000 5.379 4.063 6.033 0.033 18 0 "[ . 1 . 2]" 1
193 1 10 LYS HD3 1 11 LYS H 1.800 . 6.000 5.045 3.855 5.791 . 0 0 "[ . 1 . 2]" 1
194 1 10 LYS QG 1 44 PHE H 1.800 . 6.000 5.269 2.126 6.075 0.075 20 0 "[ . 1 . 2]" 1
195 1 10 LYS HG2 1 11 LYS H 1.800 . 6.000 4.540 3.516 5.681 . 0 0 "[ . 1 . 2]" 1
196 1 10 LYS HG3 1 11 LYS H 1.800 . 6.000 4.554 3.333 5.859 . 0 0 "[ . 1 . 2]" 1
197 1 11 LYS H 1 11 LYS HA 1.800 . 3.000 2.661 2.335 2.940 . 0 0 "[ . 1 . 2]" 1
198 1 11 LYS H 1 11 LYS HD2 1.800 . 6.000 4.441 3.260 5.611 . 0 0 "[ . 1 . 2]" 1
199 1 11 LYS H 1 11 LYS HD3 1.800 . 6.000 4.312 2.154 6.010 0.010 3 0 "[ . 1 . 2]" 1
200 1 11 LYS H 1 11 LYS HE2 1.800 . 6.000 5.316 2.474 6.014 0.014 2 0 "[ . 1 . 2]" 1
201 1 11 LYS H 1 11 LYS HE3 1.800 . 6.000 5.292 4.054 5.946 . 0 0 "[ . 1 . 2]" 1
202 1 11 LYS H 1 11 LYS HG2 1.800 . 6.000 3.838 2.138 5.057 . 0 0 "[ . 1 . 2]" 1
203 1 11 LYS H 1 11 LYS HG3 1.800 . 6.000 3.750 2.673 4.639 . 0 0 "[ . 1 . 2]" 1
204 1 11 LYS H 1 12 ARG H 1.800 . 5.000 2.896 1.796 4.092 0.004 20 0 "[ . 1 . 2]" 1
205 1 11 LYS HA 1 12 ARG H 1.800 . 4.000 3.009 2.231 3.569 . 0 0 "[ . 1 . 2]" 1
206 1 11 LYS QB 1 44 PHE H 1.800 . 6.000 4.466 2.617 5.888 . 0 0 "[ . 1 . 2]" 1
207 1 11 LYS QB 1 45 LYS H 1.800 . 6.000 5.983 4.934 6.111 0.111 10 0 "[ . 1 . 2]" 1
208 1 11 LYS HB2 1 12 ARG H 1.800 . 5.000 3.912 2.251 4.673 . 0 0 "[ . 1 . 2]" 1
209 1 11 LYS HB3 1 12 ARG H 1.800 . 5.000 3.661 1.763 4.680 0.037 18 0 "[ . 1 . 2]" 1
210 1 11 LYS HD2 1 12 ARG H 1.800 . 6.000 5.165 3.957 6.013 0.013 14 0 "[ . 1 . 2]" 1
211 1 11 LYS HD3 1 12 ARG H 1.800 . 6.000 5.314 3.682 6.019 0.019 3 0 "[ . 1 . 2]" 1
212 1 11 LYS HG2 1 12 ARG H 1.800 . 6.000 4.450 2.851 5.645 . 0 0 "[ . 1 . 2]" 1
213 1 11 LYS HG3 1 12 ARG H 1.800 . 6.000 4.276 3.463 5.471 . 0 0 "[ . 1 . 2]" 1
214 1 12 ARG H 1 12 ARG HA 1.800 . 3.000 2.761 2.301 2.961 . 0 0 "[ . 1 . 2]" 1
215 1 12 ARG H 1 12 ARG HB2 1.800 . 4.000 2.635 2.073 4.027 0.027 10 0 "[ . 1 . 2]" 1
216 1 12 ARG H 1 12 ARG HB3 1.800 . 4.000 3.294 2.671 3.856 . 0 0 "[ . 1 . 2]" 1
217 1 12 ARG H 1 12 ARG HD2 1.800 . 6.000 4.888 3.569 5.836 . 0 0 "[ . 1 . 2]" 1
218 1 12 ARG H 1 12 ARG HD3 1.800 . 6.000 4.900 2.857 5.849 . 0 0 "[ . 1 . 2]" 1
219 1 12 ARG H 1 12 ARG HG2 1.800 . 6.000 4.262 2.451 5.278 . 0 0 "[ . 1 . 2]" 1
220 1 12 ARG H 1 12 ARG HG3 1.800 . 6.000 3.769 1.792 4.544 0.008 16 0 "[ . 1 . 2]" 1
221 1 12 ARG H 1 19 GLU QG 1.800 . 6.000 5.938 5.646 6.076 0.076 15 0 "[ . 1 . 2]" 1
222 1 12 ARG H 1 44 PHE H 1.800 . 6.000 5.573 4.046 6.055 0.055 9 0 "[ . 1 . 2]" 1
223 1 15 PRO HA 1 16 TYR H 1.800 . 4.000 2.342 2.168 3.215 . 0 0 "[ . 1 . 2]" 1
224 1 15 PRO HA 1 17 LYS H 1.800 . 6.000 4.279 3.248 5.732 . 0 0 "[ . 1 . 2]" 1
225 1 15 PRO HD2 1 16 TYR H 1.800 . 6.000 5.456 4.475 5.718 . 0 0 "[ . 1 . 2]" 1
226 1 15 PRO HD3 1 16 TYR H 1.800 . 6.000 5.497 4.995 5.783 . 0 0 "[ . 1 . 2]" 1
227 1 16 TYR H 1 16 TYR HA 1.800 . 3.000 2.913 2.782 2.959 . 0 0 "[ . 1 . 2]" 1
228 1 16 TYR H 1 16 TYR QD 1.800 . 5.000 3.638 2.398 4.444 . 0 0 "[ . 1 . 2]" 1
229 1 16 TYR H 1 17 LYS H 1.800 . 4.000 2.379 1.781 3.906 0.019 5 0 "[ . 1 . 2]" 1
230 1 16 TYR H 1 17 LYS HA 1.800 . 6.000 4.291 3.915 4.926 . 0 0 "[ . 1 . 2]" 1
231 1 16 TYR H 1 17 LYS HB2 1.800 . 6.000 5.154 3.378 6.644 0.644 9 2 "[ .- +1 . 2]" 1
232 1 16 TYR H 1 17 LYS HB3 1.800 . 6.000 5.556 4.400 6.318 0.318 9 0 "[ . 1 . 2]" 1
233 1 16 TYR H 1 18 SER H 1.800 . 5.000 4.795 3.924 5.061 0.061 18 0 "[ . 1 . 2]" 1
234 1 16 TYR H 1 20 CYS H 1.800 . 6.000 5.006 4.052 5.552 . 0 0 "[ . 1 . 2]" 1
235 1 16 TYR H 1 43 PHE HA 1.800 . 6.000 5.847 5.278 6.037 0.037 15 0 "[ . 1 . 2]" 1
236 1 16 TYR HA 1 17 LYS H 1.800 . 4.000 3.050 2.148 3.542 . 0 0 "[ . 1 . 2]" 1
237 1 16 TYR HA 1 18 SER H 1.800 . 4.500 4.281 3.093 5.896 1.396 2 4 "[ + -* 1 * . 2]" 1
238 1 16 TYR HA 1 19 GLU H 1.800 . 5.000 4.436 3.657 4.957 . 0 0 "[ . 1 . 2]" 1
239 1 16 TYR HA 1 20 CYS H 1.800 . 6.000 5.390 2.952 6.063 0.063 11 0 "[ . 1 . 2]" 1
240 1 16 TYR QB 1 17 LYS H 1.800 . 5.000 3.380 2.056 4.014 . 0 0 "[ . 1 . 2]" 1
241 1 16 TYR QB 1 18 SER H 1.800 . 6.000 3.866 2.588 6.315 0.315 2 0 "[ . 1 . 2]" 1
242 1 16 TYR QD 1 17 LYS H 1.800 . 6.000 4.165 1.938 4.934 . 0 0 "[ . 1 . 2]" 1
243 1 16 TYR QD 1 18 SER H 1.800 . 6.000 4.284 3.293 6.005 0.005 4 0 "[ . 1 . 2]" 1
244 1 16 TYR QD 1 20 CYS H 1.800 . 6.000 5.729 4.623 6.749 0.749 12 2 "[ . 1 + . - 2]" 1
245 1 17 LYS H 1 17 LYS HA 1.800 . 3.000 2.500 2.289 2.932 . 0 0 "[ . 1 . 2]" 1
246 1 17 LYS H 1 17 LYS HB2 1.800 . 4.000 3.390 2.266 3.932 . 0 0 "[ . 1 . 2]" 1
247 1 17 LYS H 1 17 LYS HB3 1.800 . 4.000 3.686 2.748 4.050 0.050 1 0 "[ . 1 . 2]" 1
248 1 17 LYS H 1 18 SER H 1.800 . 5.000 3.432 2.727 4.072 . 0 0 "[ . 1 . 2]" 1
249 1 17 LYS H 1 20 CYS HA 1.800 . 6.000 6.541 5.615 7.936 1.936 17 7 "[ - *.* **1 *. + 2]" 1
250 1 17 LYS H 1 43 PHE HA 1.800 . 6.000 5.861 5.461 6.043 0.043 13 0 "[ . 1 . 2]" 1
251 1 17 LYS HA 1 18 SER H 1.800 . 4.000 3.525 3.401 3.583 . 0 0 "[ . 1 . 2]" 1
252 1 17 LYS HA 1 21 LEU H 1.800 . 5.000 4.346 3.794 4.927 . 0 0 "[ . 1 . 2]" 1
253 1 17 LYS HB2 1 18 SER H 1.800 . 5.000 2.549 1.769 3.919 0.031 13 0 "[ . 1 . 2]" 1
254 1 17 LYS HB3 1 18 SER H 1.800 . 5.000 3.303 1.817 4.353 . 0 0 "[ . 1 . 2]" 1
255 1 18 SER H 1 18 SER HA 1.800 . 3.000 2.843 2.723 2.921 . 0 0 "[ . 1 . 2]" 1
256 1 18 SER H 1 18 SER HB2 1.800 . 4.000 2.880 2.093 3.597 . 0 0 "[ . 1 . 2]" 1
257 1 18 SER H 1 18 SER HB3 1.800 . 4.000 2.765 2.079 3.649 . 0 0 "[ . 1 . 2]" 1
258 1 18 SER H 1 20 CYS H 1.800 . 4.500 3.933 3.568 4.401 . 0 0 "[ . 1 . 2]" 1
259 1 18 SER HA 1 19 GLU H 1.800 . 4.000 3.525 3.418 3.574 . 0 0 "[ . 1 . 2]" 1
260 1 18 SER HA 1 20 CYS H 1.800 . 5.000 3.797 3.511 4.277 . 0 0 "[ . 1 . 2]" 1
261 1 18 SER HA 1 21 LEU H 1.800 . 4.000 3.224 2.918 3.782 . 0 0 "[ . 1 . 2]" 1
262 1 18 SER HA 1 21 LEU QB 1.800 . 4.000 2.637 2.207 3.144 . 0 0 "[ . 1 . 2]" 1
263 1 18 SER HA 1 22 LYS H 1.800 . 5.000 3.800 3.379 4.538 . 0 0 "[ . 1 . 2]" 1
264 1 18 SER HB2 1 19 GLU H 1.800 . 5.000 3.486 2.117 4.321 . 0 0 "[ . 1 . 2]" 1
265 1 18 SER HB3 1 19 GLU H 1.800 . 5.000 3.232 2.295 4.317 . 0 0 "[ . 1 . 2]" 1
266 1 19 GLU H 1 19 GLU HA 1.800 . 3.000 2.792 2.676 2.925 . 0 0 "[ . 1 . 2]" 1
267 1 19 GLU H 1 19 GLU HB2 1.800 . 4.000 2.357 2.116 2.637 . 0 0 "[ . 1 . 2]" 1
268 1 19 GLU H 1 19 GLU HB3 1.800 . 4.000 2.844 2.398 3.547 . 0 0 "[ . 1 . 2]" 1
269 1 19 GLU H 1 19 GLU QG 1.800 . 5.000 3.893 2.881 4.071 . 0 0 "[ . 1 . 2]" 1
270 1 19 GLU H 1 20 CYS H 1.800 . 3.000 2.651 2.227 2.930 . 0 0 "[ . 1 . 2]" 1
271 1 19 GLU H 1 20 CYS HB2 1.800 . 6.000 5.250 4.236 6.033 0.033 2 0 "[ . 1 . 2]" 1
272 1 19 GLU H 1 20 CYS HB3 1.800 . 6.000 5.007 4.171 5.611 . 0 0 "[ . 1 . 2]" 1
273 1 19 GLU H 1 21 LEU H 1.800 . 4.500 4.327 3.836 4.535 0.035 8 0 "[ . 1 . 2]" 1
274 1 19 GLU H 1 22 LYS H 1.800 . 5.500 4.726 4.467 5.107 . 0 0 "[ . 1 . 2]" 1
275 1 19 GLU HA 1 20 CYS H 1.800 . 4.000 3.452 3.377 3.525 . 0 0 "[ . 1 . 2]" 1
276 1 19 GLU HA 1 21 LEU H 1.800 . 5.000 4.804 4.187 5.058 0.058 2 0 "[ . 1 . 2]" 1
277 1 19 GLU HA 1 22 LYS H 1.800 . 4.000 3.807 3.358 4.027 0.027 2 0 "[ . 1 . 2]" 1
278 1 19 GLU HA 1 22 LYS HB2 1.800 . 4.000 3.258 2.278 3.898 . 0 0 "[ . 1 . 2]" 1
279 1 19 GLU HA 1 22 LYS HB3 1.800 . 4.000 3.280 2.333 4.022 0.022 15 0 "[ . 1 . 2]" 1
280 1 19 GLU HA 1 22 LYS QE 1.800 . 6.000 5.286 3.220 5.986 . 0 0 "[ . 1 . 2]" 1
281 1 19 GLU HA 1 23 ALA H 1.800 . 5.000 4.711 3.956 5.092 0.092 4 0 "[ . 1 . 2]" 1
282 1 19 GLU QB 1 21 LEU H 1.800 . 6.000 4.980 4.731 5.190 . 0 0 "[ . 1 . 2]" 1
283 1 19 GLU HB2 1 20 CYS H 1.800 . 4.000 3.839 3.076 4.106 0.106 9 0 "[ . 1 . 2]" 1
284 1 19 GLU HB3 1 20 CYS H 1.800 . 4.000 3.102 2.830 3.708 . 0 0 "[ . 1 . 2]" 1
285 1 19 GLU QG 1 20 CYS H 1.800 . 5.000 4.123 3.671 4.653 . 0 0 "[ . 1 . 2]" 1
286 1 20 CYS H 1 20 CYS HA 1.800 . 3.000 2.917 2.881 2.938 . 0 0 "[ . 1 . 2]" 1
287 1 20 CYS H 1 20 CYS HB2 1.800 . 4.000 2.864 2.235 3.626 . 0 0 "[ . 1 . 2]" 1
288 1 20 CYS H 1 20 CYS HB3 1.800 . 4.000 2.565 2.107 3.037 . 0 0 "[ . 1 . 2]" 1
289 1 20 CYS H 1 21 LEU H 1.800 . 3.000 2.367 2.186 2.562 . 0 0 "[ . 1 . 2]" 1
290 1 20 CYS H 1 21 LEU HA 1.800 . 6.000 5.029 4.920 5.160 . 0 0 "[ . 1 . 2]" 1
291 1 20 CYS H 1 21 LEU HB2 1.800 . 5.000 4.606 4.150 4.992 . 0 0 "[ . 1 . 2]" 1
292 1 20 CYS H 1 21 LEU HB3 1.800 . 5.000 4.672 4.158 5.051 0.051 7 0 "[ . 1 . 2]" 1
293 1 20 CYS H 1 21 LEU MD1 1.800 . 6.000 5.857 5.089 6.070 0.070 15 0 "[ . 1 . 2]" 1
294 1 20 CYS H 1 21 LEU MD2 1.800 . 6.000 5.897 4.914 6.081 0.081 9 0 "[ . 1 . 2]" 1
295 1 20 CYS H 1 22 LYS H 1.800 . 4.500 3.581 3.342 3.783 . 0 0 "[ . 1 . 2]" 1
296 1 20 CYS H 1 23 ALA H 1.800 . 5.500 4.882 4.710 5.076 . 0 0 "[ . 1 . 2]" 1
297 1 20 CYS H 1 41 PRO HA 1.800 . 6.000 5.915 5.406 6.792 0.792 16 2 "[ . -1 .+ 2]" 1
298 1 20 CYS H 1 41 PRO QB 1.800 . 6.000 4.637 3.555 5.387 . 0 0 "[ . 1 . 2]" 1
299 1 20 CYS HA 1 21 LEU H 1.800 . 4.000 3.547 3.472 3.575 . 0 0 "[ . 1 . 2]" 1
300 1 20 CYS HA 1 22 LYS H 1.800 . 5.000 4.082 3.592 4.476 . 0 0 "[ . 1 . 2]" 1
301 1 20 CYS HA 1 23 ALA H 1.800 . 4.000 3.557 2.925 4.020 0.020 5 0 "[ . 1 . 2]" 1
302 1 20 CYS HA 1 23 ALA MB 1.800 . 4.500 3.117 2.525 3.515 . 0 0 "[ . 1 . 2]" 1
303 1 20 CYS HA 1 24 CYS H 1.800 . 5.000 5.012 4.727 5.153 0.153 14 0 "[ . 1 . 2]" 1
304 1 20 CYS QB 1 23 ALA H 1.800 . 6.000 5.055 4.654 5.323 . 0 0 "[ . 1 . 2]" 1
305 1 20 CYS QB 1 41 PRO HA 1.800 . 4.500 3.900 2.870 4.648 0.148 2 0 "[ . 1 . 2]" 1
306 1 20 CYS HB2 1 21 LEU H 1.800 . 4.000 3.707 3.389 4.053 0.053 6 0 "[ . 1 . 2]" 1
307 1 20 CYS HB3 1 21 LEU H 1.800 . 4.000 2.761 2.360 3.558 . 0 0 "[ . 1 . 2]" 1
308 1 21 LEU H 1 21 LEU HA 1.800 . 3.000 2.824 2.727 2.921 . 0 0 "[ . 1 . 2]" 1
309 1 21 LEU H 1 21 LEU HB2 1.800 . 4.000 2.416 2.095 3.030 . 0 0 "[ . 1 . 2]" 1
310 1 21 LEU H 1 21 LEU HB3 1.800 . 4.000 2.697 2.250 3.084 . 0 0 "[ . 1 . 2]" 1
311 1 21 LEU H 1 21 LEU MD1 1.800 . 6.000 3.944 3.422 4.410 . 0 0 "[ . 1 . 2]" 1
312 1 21 LEU H 1 21 LEU MD2 1.800 . 6.000 4.152 3.045 4.357 . 0 0 "[ . 1 . 2]" 1
313 1 21 LEU H 1 21 LEU HG 1.800 . 6.000 4.384 4.090 4.490 . 0 0 "[ . 1 . 2]" 1
314 1 21 LEU H 1 22 LYS H 1.800 . 3.000 2.584 2.219 2.826 . 0 0 "[ . 1 . 2]" 1
315 1 21 LEU H 1 22 LYS QB 1.800 . 6.000 4.310 3.901 4.550 . 0 0 "[ . 1 . 2]" 1
316 1 21 LEU H 1 23 ALA H 1.800 . 4.500 4.365 3.916 4.535 0.035 15 0 "[ . 1 . 2]" 1
317 1 21 LEU H 1 24 CYS H 1.800 . 5.500 5.113 4.805 5.383 . 0 0 "[ . 1 . 2]" 1
318 1 21 LEU HA 1 22 LYS H 1.800 . 4.000 3.487 3.399 3.534 . 0 0 "[ . 1 . 2]" 1
319 1 21 LEU HA 1 23 ALA H 1.800 . 5.000 4.343 3.810 4.587 . 0 0 "[ . 1 . 2]" 1
320 1 21 LEU HA 1 24 CYS H 1.800 . 4.000 3.398 2.982 3.693 . 0 0 "[ . 1 . 2]" 1
321 1 21 LEU HA 1 24 CYS HB2 1.800 . 4.500 2.862 2.296 3.352 . 0 0 "[ . 1 . 2]" 1
322 1 21 LEU HA 1 24 CYS HB3 1.800 . 4.500 3.828 2.872 4.439 . 0 0 "[ . 1 . 2]" 1
323 1 21 LEU HA 1 25 ALA H 1.800 . 5.000 4.570 3.928 5.012 0.012 20 0 "[ . 1 . 2]" 1
324 1 21 LEU QB 1 24 CYS H 1.800 . 6.000 4.961 4.623 5.302 . 0 0 "[ . 1 . 2]" 1
325 1 21 LEU HB2 1 22 LYS H 1.800 . 5.000 3.881 3.505 4.229 . 0 0 "[ . 1 . 2]" 1
326 1 21 LEU HB3 1 22 LYS H 1.800 . 5.000 2.889 2.644 3.202 . 0 0 "[ . 1 . 2]" 1
327 1 21 LEU MD1 1 22 LYS H 1.800 . 6.000 4.693 4.062 5.048 . 0 0 "[ . 1 . 2]" 1
328 1 21 LEU MD1 1 24 CYS H 1.800 . 6.000 4.900 3.679 6.138 0.138 4 0 "[ . 1 . 2]" 1
329 1 21 LEU MD1 1 39 GLY H 1.800 . 6.000 3.323 2.501 4.072 . 0 0 "[ . 1 . 2]" 1
330 1 21 LEU MD2 1 22 LYS H 1.800 . 6.000 4.179 2.404 4.860 . 0 0 "[ . 1 . 2]" 1
331 1 21 LEU MD2 1 24 CYS H 1.800 . 6.000 5.320 3.681 6.134 0.134 3 0 "[ . 1 . 2]" 1
332 1 21 LEU MD2 1 39 GLY H 1.800 . 6.000 3.690 2.598 5.962 . 0 0 "[ . 1 . 2]" 1
333 1 21 LEU HG 1 22 LYS H 1.800 . 6.000 4.408 3.777 5.335 . 0 0 "[ . 1 . 2]" 1
334 1 22 LYS H 1 22 LYS HA 1.800 . 3.000 2.814 2.772 2.872 . 0 0 "[ . 1 . 2]" 1
335 1 22 LYS H 1 22 LYS HB2 1.800 . 4.000 2.439 2.082 2.909 . 0 0 "[ . 1 . 2]" 1
336 1 22 LYS H 1 22 LYS HB3 1.800 . 4.000 2.720 2.223 3.477 . 0 0 "[ . 1 . 2]" 1
337 1 22 LYS H 1 22 LYS HG2 1.800 . 5.000 4.253 2.906 4.584 . 0 0 "[ . 1 . 2]" 1
338 1 22 LYS H 1 22 LYS HG3 1.800 . 5.000 4.295 3.739 4.558 . 0 0 "[ . 1 . 2]" 1
339 1 22 LYS H 1 23 ALA H 1.800 . 3.000 2.709 2.497 2.882 . 0 0 "[ . 1 . 2]" 1
340 1 22 LYS H 1 23 ALA HA 1.800 . 6.000 5.308 5.133 5.440 . 0 0 "[ . 1 . 2]" 1
341 1 22 LYS H 1 24 CYS H 1.800 . 4.500 4.116 3.768 4.526 0.026 4 0 "[ . 1 . 2]" 1
342 1 22 LYS H 1 25 ALA H 1.800 . 5.500 4.878 4.548 5.236 . 0 0 "[ . 1 . 2]" 1
343 1 22 LYS H 1 25 ALA MB 1.800 . 6.000 4.946 4.479 5.592 . 0 0 "[ . 1 . 2]" 1
344 1 22 LYS HA 1 23 ALA H 1.800 . 4.000 3.550 3.503 3.576 . 0 0 "[ . 1 . 2]" 1
345 1 22 LYS HA 1 24 CYS H 1.800 . 5.000 4.197 3.684 4.849 . 0 0 "[ . 1 . 2]" 1
346 1 22 LYS HA 1 25 ALA H 1.800 . 4.000 3.348 2.986 3.823 . 0 0 "[ . 1 . 2]" 1
347 1 22 LYS HA 1 25 ALA MB 1.800 . 4.000 2.788 2.422 3.409 . 0 0 "[ . 1 . 2]" 1
348 1 22 LYS HA 1 26 THR H 1.800 . 5.000 4.304 3.727 5.020 0.020 9 0 "[ . 1 . 2]" 1
349 1 22 LYS QB 1 24 CYS H 1.800 . 6.000 4.627 4.201 5.093 . 0 0 "[ . 1 . 2]" 1
350 1 22 LYS QB 1 25 ALA H 1.800 . 6.000 4.928 4.668 5.230 . 0 0 "[ . 1 . 2]" 1
351 1 22 LYS HB2 1 23 ALA H 1.800 . 5.000 3.631 2.638 3.991 . 0 0 "[ . 1 . 2]" 1
352 1 22 LYS HB3 1 23 ALA H 1.800 . 5.000 2.592 2.286 3.353 . 0 0 "[ . 1 . 2]" 1
353 1 22 LYS HD2 1 23 ALA H 1.800 . 6.000 5.260 3.912 5.873 . 0 0 "[ . 1 . 2]" 1
354 1 22 LYS HD3 1 23 ALA H 1.800 . 6.000 4.903 3.561 5.756 . 0 0 "[ . 1 . 2]" 1
355 1 22 LYS QG 1 25 ALA H 1.800 . 6.000 4.639 3.978 5.731 . 0 0 "[ . 1 . 2]" 1
356 1 22 LYS HG2 1 23 ALA H 1.800 . 6.000 3.937 2.892 4.908 . 0 0 "[ . 1 . 2]" 1
357 1 22 LYS HG3 1 23 ALA H 1.800 . 6.000 4.674 3.990 5.297 . 0 0 "[ . 1 . 2]" 1
358 1 23 ALA H 1 23 ALA HA 1.800 . 3.000 2.786 2.711 2.887 . 0 0 "[ . 1 . 2]" 1
359 1 23 ALA H 1 23 ALA MB 1.800 . 4.000 2.122 2.035 2.237 . 0 0 "[ . 1 . 2]" 1
360 1 23 ALA H 1 24 CYS H 1.800 . 3.000 2.752 2.453 3.010 0.010 4 0 "[ . 1 . 2]" 1
361 1 23 ALA H 1 24 CYS HA 1.800 . 6.000 5.349 5.086 5.529 . 0 0 "[ . 1 . 2]" 1
362 1 23 ALA H 1 24 CYS HB2 1.800 . 6.000 4.660 4.255 4.927 . 0 0 "[ . 1 . 2]" 1
363 1 23 ALA H 1 24 CYS HB3 1.800 . 6.000 5.622 5.181 5.953 . 0 0 "[ . 1 . 2]" 1
364 1 23 ALA H 1 25 ALA H 1.800 . 4.500 4.304 4.036 4.535 0.035 11 0 "[ . 1 . 2]" 1
365 1 23 ALA H 1 25 ALA MB 1.800 . 6.000 5.041 4.713 5.305 . 0 0 "[ . 1 . 2]" 1
366 1 23 ALA H 1 26 THR H 1.800 . 5.500 4.695 4.411 5.071 . 0 0 "[ . 1 . 2]" 1
367 1 23 ALA HA 1 24 CYS H 1.800 . 4.000 3.523 3.432 3.584 . 0 0 "[ . 1 . 2]" 1
368 1 23 ALA HA 1 25 ALA H 1.800 . 5.000 4.491 4.124 4.810 . 0 0 "[ . 1 . 2]" 1
369 1 23 ALA HA 1 26 THR H 1.800 . 4.000 3.390 3.131 3.754 . 0 0 "[ . 1 . 2]" 1
370 1 23 ALA HA 1 26 THR HB 1.800 . 4.000 2.710 2.325 3.526 . 0 0 "[ . 1 . 2]" 1
371 1 23 ALA HA 1 27 SER H 1.800 . 5.000 4.458 3.420 5.056 0.056 13 0 "[ . 1 . 2]" 1
372 1 23 ALA MB 1 24 CYS H 1.800 . 5.000 2.652 2.335 2.975 . 0 0 "[ . 1 . 2]" 1
373 1 23 ALA MB 1 26 THR H 1.800 . 6.000 4.437 4.152 4.742 . 0 0 "[ . 1 . 2]" 1
374 1 24 CYS H 1 24 CYS HA 1.800 . 3.000 2.827 2.729 2.912 . 0 0 "[ . 1 . 2]" 1
375 1 24 CYS H 1 25 ALA H 1.800 . 3.000 2.679 2.384 2.962 . 0 0 "[ . 1 . 2]" 1
376 1 24 CYS H 1 25 ALA HA 1.800 . 6.000 5.298 5.063 5.516 . 0 0 "[ . 1 . 2]" 1
377 1 24 CYS H 1 25 ALA MB 1.800 . 5.000 4.329 4.092 4.611 . 0 0 "[ . 1 . 2]" 1
378 1 24 CYS H 1 26 THR H 1.800 . 4.500 3.820 3.494 4.318 . 0 0 "[ . 1 . 2]" 1
379 1 24 CYS H 1 26 THR HB 1.800 . 6.000 5.160 4.567 5.842 . 0 0 "[ . 1 . 2]" 1
380 1 24 CYS H 1 27 SER H 1.800 . 5.500 4.760 4.067 5.304 . 0 0 "[ . 1 . 2]" 1
381 1 24 CYS H 1 27 SER QB 1.800 . 6.000 5.283 4.419 5.969 . 0 0 "[ . 1 . 2]" 1
382 1 24 CYS H 1 36 ILE MD 1.800 . 6.000 5.519 4.996 6.006 0.006 8 0 "[ . 1 . 2]" 1
383 1 24 CYS H 1 36 ILE QG 1.800 . 6.000 5.858 5.212 6.064 0.064 14 0 "[ . 1 . 2]" 1
384 1 24 CYS H 1 36 ILE MG 1.800 . 6.000 5.335 5.061 5.679 . 0 0 "[ . 1 . 2]" 1
385 1 24 CYS HA 1 25 ALA H 1.800 . 4.000 3.550 3.516 3.573 . 0 0 "[ . 1 . 2]" 1
386 1 24 CYS HA 1 26 THR H 1.800 . 5.000 4.062 3.661 4.813 . 0 0 "[ . 1 . 2]" 1
387 1 24 CYS HA 1 27 SER H 1.800 . 4.000 3.480 2.937 3.907 . 0 0 "[ . 1 . 2]" 1
388 1 24 CYS HA 1 27 SER QB 1.800 . 4.000 3.068 2.138 3.960 . 0 0 "[ . 1 . 2]" 1
389 1 24 CYS HA 1 36 ILE MD 1.800 . 6.000 3.843 3.159 5.092 . 0 0 "[ . 1 . 2]" 1
390 1 24 CYS HB2 1 25 ALA H 1.800 . 5.000 3.316 2.940 3.691 . 0 0 "[ . 1 . 2]" 1
391 1 24 CYS HB2 1 36 ILE MD 1.800 . 6.000 4.591 3.921 5.874 . 0 0 "[ . 1 . 2]" 1
392 1 24 CYS HB3 1 25 ALA H 1.800 . 5.000 2.690 2.283 3.103 . 0 0 "[ . 1 . 2]" 1
393 1 24 CYS HB3 1 36 ILE MD 1.800 . 6.000 3.401 2.528 4.589 . 0 0 "[ . 1 . 2]" 1
394 1 25 ALA H 1 25 ALA HA 1.800 . 3.000 2.854 2.765 2.903 . 0 0 "[ . 1 . 2]" 1
395 1 25 ALA H 1 25 ALA MB 1.800 . 4.000 2.159 2.038 2.259 . 0 0 "[ . 1 . 2]" 1
396 1 25 ALA H 1 26 THR H 1.800 . 3.000 2.518 2.351 2.778 . 0 0 "[ . 1 . 2]" 1
397 1 25 ALA H 1 26 THR HB 1.800 . 6.000 4.893 4.437 5.381 . 0 0 "[ . 1 . 2]" 1
398 1 25 ALA H 1 27 SER H 1.800 . 5.000 3.949 3.597 4.210 . 0 0 "[ . 1 . 2]" 1
399 1 25 ALA H 1 27 SER QB 1.800 . 6.000 4.927 4.566 5.474 . 0 0 "[ . 1 . 2]" 1
400 1 25 ALA H 1 35 ARG H 1.800 . 6.000 10.124 9.306 10.701 4.701 14 20 [*************+***-**] 1
401 1 25 ALA H 1 36 ILE HB 1.800 . 6.000 5.668 5.175 5.980 . 0 0 "[ . 1 . 2]" 1
402 1 25 ALA H 1 36 ILE MD 1.800 . 6.000 4.524 3.617 4.985 . 0 0 "[ . 1 . 2]" 1
403 1 25 ALA H 1 36 ILE QG 1.800 . 6.000 4.124 3.659 4.380 . 0 0 "[ . 1 . 2]" 1
404 1 25 ALA H 1 36 ILE MG 1.800 . 6.000 4.206 3.829 4.472 . 0 0 "[ . 1 . 2]" 1
405 1 25 ALA HA 1 26 THR H 1.800 . 4.000 3.454 3.399 3.564 . 0 0 "[ . 1 . 2]" 1
406 1 25 ALA HA 1 27 SER H 1.800 . 5.000 3.885 3.535 4.298 . 0 0 "[ . 1 . 2]" 1
407 1 25 ALA HA 1 28 PHE H 1.800 . 5.000 4.601 3.861 4.818 . 0 0 "[ . 1 . 2]" 1
408 1 25 ALA HA 1 35 ARG QB 1.800 . 6.000 4.982 3.623 5.592 . 0 0 "[ . 1 . 2]" 1
409 1 25 ALA HA 1 36 ILE MD 1.800 . 5.000 3.383 1.979 4.074 . 0 0 "[ . 1 . 2]" 1
410 1 25 ALA HA 1 36 ILE QG 1.800 . 6.000 2.358 2.151 2.994 . 0 0 "[ . 1 . 2]" 1
411 1 25 ALA HA 1 36 ILE MG 1.800 . 5.500 3.696 3.313 4.034 . 0 0 "[ . 1 . 2]" 1
412 1 25 ALA MB 1 26 THR H 1.800 . 5.000 2.906 2.545 3.087 . 0 0 "[ . 1 . 2]" 1
413 1 25 ALA MB 1 27 SER H 1.800 . 6.000 4.385 4.139 4.495 . 0 0 "[ . 1 . 2]" 1
414 1 25 ALA MB 1 28 PHE H 1.800 . 6.000 5.211 4.559 5.635 . 0 0 "[ . 1 . 2]" 1
415 1 25 ALA MB 1 37 GLN H 1.800 . 6.000 5.209 4.492 5.785 . 0 0 "[ . 1 . 2]" 1
416 1 26 THR H 1 26 THR HA 1.800 . 3.000 2.899 2.796 2.932 . 0 0 "[ . 1 . 2]" 1
417 1 26 THR H 1 26 THR HB 1.800 . 4.000 2.585 2.300 3.061 . 0 0 "[ . 1 . 2]" 1
418 1 26 THR H 1 26 THR MG 1.800 . 5.000 3.696 2.513 3.802 . 0 0 "[ . 1 . 2]" 1
419 1 26 THR H 1 27 SER H 1.800 . 5.000 2.346 2.185 2.667 . 0 0 "[ . 1 . 2]" 1
420 1 26 THR H 1 27 SER HA 1.800 . 6.000 4.824 4.654 5.197 . 0 0 "[ . 1 . 2]" 1
421 1 26 THR H 1 27 SER HB2 1.800 . 6.000 4.976 4.096 6.029 0.029 4 0 "[ . 1 . 2]" 1
422 1 26 THR H 1 27 SER HB3 1.800 . 6.000 4.917 4.102 5.787 . 0 0 "[ . 1 . 2]" 1
423 1 26 THR H 1 36 ILE MD 1.800 . 6.000 5.323 4.483 5.972 . 0 0 "[ . 1 . 2]" 1
424 1 26 THR H 1 36 ILE MG 1.800 . 6.000 5.915 5.677 6.024 0.024 6 0 "[ . 1 . 2]" 1
425 1 26 THR HA 1 27 SER H 1.800 . 4.000 3.415 3.394 3.478 . 0 0 "[ . 1 . 2]" 1
426 1 26 THR HA 1 28 PHE H 1.800 . 6.000 3.576 3.091 4.744 . 0 0 "[ . 1 . 2]" 1
427 1 26 THR HB 1 27 SER H 1.800 . 5.000 3.225 2.910 3.952 . 0 0 "[ . 1 . 2]" 1
428 1 26 THR MG 1 27 SER H 1.800 . 5.000 3.883 2.386 4.349 . 0 0 "[ . 1 . 2]" 1
429 1 27 SER H 1 27 SER HA 1.800 . 3.000 2.716 2.685 2.841 . 0 0 "[ . 1 . 2]" 1
430 1 27 SER H 1 27 SER HB2 1.800 . 4.000 2.812 2.124 3.615 . 0 0 "[ . 1 . 2]" 1
431 1 27 SER H 1 27 SER HB3 1.800 . 4.000 2.756 2.167 3.614 . 0 0 "[ . 1 . 2]" 1
432 1 27 SER H 1 28 PHE H 1.800 . 5.000 2.929 2.568 3.368 . 0 0 "[ . 1 . 2]" 1
433 1 27 SER H 1 28 PHE HB2 1.800 . 6.000 5.317 4.768 5.972 . 0 0 "[ . 1 . 2]" 1
434 1 27 SER H 1 28 PHE HB3 1.800 . 6.000 5.689 4.460 6.002 0.002 10 0 "[ . 1 . 2]" 1
435 1 27 SER H 1 29 THR H 1.800 . 6.000 6.594 4.227 7.316 1.316 18 15 "[******* ** *-** *+ 2]" 1
436 1 27 SER H 1 36 ILE MD 1.800 . 6.000 4.575 3.716 5.384 . 0 0 "[ . 1 . 2]" 1
437 1 27 SER H 1 36 ILE MG 1.800 . 6.000 5.992 5.881 6.066 0.066 11 0 "[ . 1 . 2]" 1
438 1 27 SER HA 1 28 PHE H 1.800 . 4.000 3.496 3.393 3.574 . 0 0 "[ . 1 . 2]" 1
439 1 27 SER HB2 1 28 PHE H 1.800 . 5.000 3.716 2.526 4.323 . 0 0 "[ . 1 . 2]" 1
440 1 27 SER HB3 1 28 PHE H 1.800 . 5.000 3.311 2.282 4.156 . 0 0 "[ . 1 . 2]" 1
441 1 28 PHE H 1 28 PHE HA 1.800 . 3.000 2.865 2.298 2.959 . 0 0 "[ . 1 . 2]" 1
442 1 28 PHE H 1 28 PHE HB2 1.800 . 4.000 2.856 2.201 3.470 . 0 0 "[ . 1 . 2]" 1
443 1 28 PHE H 1 28 PHE HB3 1.800 . 4.000 3.001 2.158 3.861 . 0 0 "[ . 1 . 2]" 1
444 1 28 PHE H 1 29 THR H 1.800 . 5.000 3.944 2.251 4.618 . 0 0 "[ . 1 . 2]" 1
445 1 29 THR H 1 30 GLY H 1.800 . 6.000 3.611 1.589 4.623 0.211 3 0 "[ . 1 . 2]" 1
446 1 29 THR H 1 31 GLY H 1.800 . 6.000 5.460 3.384 7.942 1.942 5 5 "[ +* -*1 . *2]" 1
447 1 29 THR H 1 35 ARG QD 1.800 . 6.000 4.744 2.571 5.998 . 0 0 "[ . 1 . 2]" 1
448 1 30 GLY H 1 32 ASP H 1.800 . 6.000 5.380 3.110 7.320 1.320 13 3 "[ . -1 + * 2]" 1
449 1 33 GLU H 1 34 SER H 1.800 . 5.000 3.326 1.878 4.629 . 0 0 "[ . 1 . 2]" 1
450 1 33 GLU H 1 34 SER QB 1.800 . 6.000 4.679 3.596 6.136 0.136 12 0 "[ . 1 . 2]" 1
451 1 33 GLU HA 1 34 SER H 1.800 . 4.000 3.220 2.134 3.565 . 0 0 "[ . 1 . 2]" 1
452 1 33 GLU HA 1 35 ARG H 1.800 . 6.000 5.092 4.178 6.013 0.013 14 0 "[ . 1 . 2]" 1
453 1 33 GLU HA 1 36 ILE H 1.800 . 4.000 3.949 3.558 4.070 0.070 16 0 "[ . 1 . 2]" 1
454 1 33 GLU HA 1 36 ILE HB 1.800 . 4.500 4.168 2.978 4.561 0.061 4 0 "[ . 1 . 2]" 1
455 1 33 GLU HB2 1 34 SER H 1.800 . 5.000 2.759 1.769 4.395 0.031 2 0 "[ . 1 . 2]" 1
456 1 33 GLU HB3 1 34 SER H 1.800 . 5.000 3.294 1.851 4.590 . 0 0 "[ . 1 . 2]" 1
457 1 33 GLU HG2 1 34 SER H 1.800 . 6.000 4.292 1.798 5.248 0.002 16 0 "[ . 1 . 2]" 1
458 1 33 GLU HG3 1 34 SER H 1.800 . 6.000 4.242 1.938 5.464 . 0 0 "[ . 1 . 2]" 1
459 1 34 SER H 1 34 SER HA 1.800 . 3.000 2.646 2.295 2.930 . 0 0 "[ . 1 . 2]" 1
460 1 34 SER H 1 34 SER HB2 1.800 . 4.000 3.089 2.218 3.704 . 0 0 "[ . 1 . 2]" 1
461 1 34 SER H 1 34 SER HB3 1.800 . 4.000 3.137 2.269 4.012 0.012 19 0 "[ . 1 . 2]" 1
462 1 34 SER H 1 35 ARG H 1.800 . 5.000 4.016 2.821 4.559 . 0 0 "[ . 1 . 2]" 1
463 1 34 SER H 1 35 ARG QB 1.800 . 6.000 4.931 4.160 5.623 . 0 0 "[ . 1 . 2]" 1
464 1 34 SER H 1 35 ARG QD 1.800 . 6.000 5.367 4.492 6.082 0.082 20 0 "[ . 1 . 2]" 1
465 1 34 SER H 1 36 ILE H 1.800 . 6.000 4.245 2.437 4.895 . 0 0 "[ . 1 . 2]" 1
466 1 34 SER H 1 37 GLN H 1.800 . 6.000 4.601 2.545 5.713 . 0 0 "[ . 1 . 2]" 1
467 1 34 SER H 1 37 GLN QB 1.800 . 6.000 4.786 2.683 6.219 0.219 8 0 "[ . 1 . 2]" 1
468 1 34 SER H 1 37 GLN QG 1.800 . 6.000 4.674 3.348 6.778 0.778 4 1 "[ +. 1 . 2]" 1
469 1 34 SER HA 1 35 ARG H 1.800 . 3.000 2.214 2.131 2.594 . 0 0 "[ . 1 . 2]" 1
470 1 34 SER HA 1 36 ILE H 1.800 . 5.000 3.651 3.207 4.276 . 0 0 "[ . 1 . 2]" 1
471 1 34 SER HA 1 37 GLN H 1.800 . 5.000 4.987 4.684 5.087 0.087 18 0 "[ . 1 . 2]" 1
472 1 34 SER QB 1 36 ILE H 1.800 . 6.000 4.851 4.288 5.326 . 0 0 "[ . 1 . 2]" 1
473 1 34 SER HB2 1 35 ARG H 1.800 . 4.500 4.300 3.900 4.518 0.018 18 0 "[ . 1 . 2]" 1
474 1 34 SER HB3 1 35 ARG H 1.800 . 4.500 4.211 3.406 4.592 0.092 2 0 "[ . 1 . 2]" 1
475 1 35 ARG H 1 35 ARG HA 1.800 . 3.000 2.539 2.289 2.748 . 0 0 "[ . 1 . 2]" 1
476 1 35 ARG H 1 35 ARG HB2 1.800 . 4.000 3.559 3.269 4.053 0.053 19 0 "[ . 1 . 2]" 1
477 1 35 ARG H 1 35 ARG HB3 1.800 . 4.000 3.966 3.690 4.088 0.088 16 0 "[ . 1 . 2]" 1
478 1 35 ARG H 1 35 ARG HD2 1.800 . 6.000 5.011 3.590 6.005 0.005 20 0 "[ . 1 . 2]" 1
479 1 35 ARG H 1 35 ARG HD3 1.800 . 6.000 5.329 4.368 5.982 . 0 0 "[ . 1 . 2]" 1
480 1 35 ARG H 1 35 ARG HG2 1.800 . 6.000 4.379 2.603 5.350 . 0 0 "[ . 1 . 2]" 1
481 1 35 ARG H 1 35 ARG HG3 1.800 . 6.000 3.595 2.632 4.664 . 0 0 "[ . 1 . 2]" 1
482 1 35 ARG H 1 36 ILE H 1.800 . 5.000 2.194 1.695 2.758 0.105 18 0 "[ . 1 . 2]" 1
483 1 35 ARG H 1 36 ILE HA 1.800 . 5.000 4.454 4.077 5.030 0.030 14 0 "[ . 1 . 2]" 1
484 1 35 ARG H 1 36 ILE MD 1.800 . 6.000 4.544 3.223 5.062 . 0 0 "[ . 1 . 2]" 1
485 1 35 ARG H 1 36 ILE MG 1.800 . 6.000 5.610 5.268 6.045 0.045 14 0 "[ . 1 . 2]" 1
486 1 35 ARG H 1 37 GLN H 1.800 . 5.000 4.268 3.136 5.069 0.069 10 0 "[ . 1 . 2]" 1
487 1 35 ARG H 1 49 TYR HA 1.800 . 6.000 7.977 7.570 8.188 2.188 14 20 [**-**********+******] 1
488 1 35 ARG H 1 50 PHE HA 1.800 . 5.000 3.986 3.732 4.163 . 0 0 "[ . 1 . 2]" 1
489 1 35 ARG H 1 50 PHE HB2 1.800 . 5.000 3.933 3.499 5.061 0.061 13 0 "[ . 1 . 2]" 1
490 1 35 ARG H 1 50 PHE HB3 1.800 . 5.000 4.818 3.265 5.048 0.048 7 0 "[ . 1 . 2]" 1
491 1 35 ARG H 1 51 THR H 1.800 . 5.000 4.984 4.737 5.045 0.045 7 0 "[ . 1 . 2]" 1
492 1 35 ARG H 1 52 THR MG 1.800 . 5.000 4.884 4.515 5.072 0.072 9 0 "[ . 1 . 2]" 1
493 1 35 ARG HA 1 36 ILE H 1.800 . 4.000 3.416 3.303 3.517 . 0 0 "[ . 1 . 2]" 1
494 1 35 ARG QB 1 37 GLN H 1.800 . 6.000 4.859 4.145 5.268 . 0 0 "[ . 1 . 2]" 1
495 1 35 ARG HB2 1 36 ILE H 1.800 . 5.000 3.384 2.746 4.124 . 0 0 "[ . 1 . 2]" 1
496 1 35 ARG HB3 1 36 ILE H 1.800 . 5.000 3.806 3.163 4.353 . 0 0 "[ . 1 . 2]" 1
497 1 35 ARG QD 1 36 ILE H 1.800 . 6.000 4.742 3.671 5.222 . 0 0 "[ . 1 . 2]" 1
498 1 35 ARG HE 1 36 ILE MG 1.800 . 6.000 7.789 4.472 8.919 2.919 3 18 "[**+** ***********-*]" 1
499 1 35 ARG HE 1 52 THR MG 1.800 . 6.000 8.773 6.294 10.291 4.291 13 19 "[************+*** -**]" 1
500 1 35 ARG HG2 1 36 ILE H 1.800 . 6.000 4.895 2.333 5.593 . 0 0 "[ . 1 . 2]" 1
501 1 35 ARG HG3 1 36 ILE H 1.800 . 6.000 4.304 1.954 5.271 . 0 0 "[ . 1 . 2]" 1
502 1 36 ILE H 1 36 ILE HA 1.800 . 3.000 2.927 2.912 2.938 . 0 0 "[ . 1 . 2]" 1
503 1 36 ILE H 1 36 ILE MD 1.800 . 6.000 3.357 2.147 3.779 . 0 0 "[ . 1 . 2]" 1
504 1 36 ILE H 1 36 ILE QG 1.800 . 5.000 2.678 2.422 3.633 . 0 0 "[ . 1 . 2]" 1
505 1 36 ILE H 1 36 ILE MG 1.800 . 6.000 3.976 3.910 3.996 . 0 0 "[ . 1 . 2]" 1
506 1 36 ILE H 1 37 GLN H 1.800 . 5.000 2.396 1.826 2.677 . 0 0 "[ . 1 . 2]" 1
507 1 36 ILE H 1 37 GLN HA 1.800 . 6.000 4.301 4.019 4.482 . 0 0 "[ . 1 . 2]" 1
508 1 36 ILE H 1 37 GLN HB2 1.800 . 6.000 3.809 3.481 4.812 . 0 0 "[ . 1 . 2]" 1
509 1 36 ILE H 1 37 GLN HB3 1.800 . 6.000 4.823 4.066 5.338 . 0 0 "[ . 1 . 2]" 1
510 1 36 ILE H 1 37 GLN QG 1.800 . 6.000 4.695 2.641 5.558 . 0 0 "[ . 1 . 2]" 1
511 1 36 ILE HA 1 37 GLN H 1.800 . 4.000 3.566 3.538 3.579 . 0 0 "[ . 1 . 2]" 1
512 1 36 ILE HA 1 38 GLU H 1.800 . 5.000 3.465 3.222 4.060 . 0 0 "[ . 1 . 2]" 1
513 1 36 ILE HA 1 50 PHE HA 1.800 . 5.000 2.494 2.308 2.945 . 0 0 "[ . 1 . 2]" 1
514 1 36 ILE HA 1 51 THR H 1.800 . 6.000 4.163 3.956 4.457 . 0 0 "[ . 1 . 2]" 1
515 1 36 ILE HB 1 37 GLN H 1.800 . 5.000 2.029 1.772 2.731 0.028 10 0 "[ . 1 . 2]" 1
516 1 36 ILE HB 1 39 GLY H 1.800 . 6.000 6.043 6.007 6.096 0.096 15 0 "[ . 1 . 2]" 1
517 1 36 ILE MD 1 37 GLN H 1.800 . 6.000 4.193 2.758 4.585 . 0 0 "[ . 1 . 2]" 1
518 1 36 ILE MD 1 38 GLU H 1.800 . 6.000 4.984 4.739 5.494 . 0 0 "[ . 1 . 2]" 1
519 1 36 ILE MD 1 50 PHE HA 1.800 . 6.000 4.264 3.977 4.753 . 0 0 "[ . 1 . 2]" 1
520 1 36 ILE MD 1 50 PHE HB2 1.800 . 6.000 4.009 3.300 6.055 0.055 12 0 "[ . 1 . 2]" 1
521 1 36 ILE MD 1 50 PHE HB3 1.800 . 6.000 5.175 4.489 6.086 0.086 8 0 "[ . 1 . 2]" 1
522 1 36 ILE MD 1 51 THR H 1.800 . 6.000 5.864 5.559 6.024 0.024 12 0 "[ . 1 . 2]" 1
523 1 36 ILE QG 1 37 GLN H 1.800 . 6.000 3.425 3.118 4.040 . 0 0 "[ . 1 . 2]" 1
524 1 36 ILE MG 1 37 GLN H 1.800 . 6.000 3.413 2.678 3.873 . 0 0 "[ . 1 . 2]" 1
525 1 36 ILE MG 1 38 GLU H 1.800 . 6.000 2.788 2.319 3.347 . 0 0 "[ . 1 . 2]" 1
526 1 36 ILE MG 1 39 GLY H 1.800 . 6.000 3.930 3.304 4.251 . 0 0 "[ . 1 . 2]" 1
527 1 36 ILE MG 1 48 CYS HA 1.800 . 6.000 3.687 3.395 4.008 . 0 0 "[ . 1 . 2]" 1
528 1 36 ILE MG 1 50 PHE HA 1.800 . 6.000 4.059 3.784 4.279 . 0 0 "[ . 1 . 2]" 1
529 1 36 ILE MG 1 51 THR H 1.800 . 5.000 5.019 4.866 5.134 0.134 19 0 "[ . 1 . 2]" 1
530 1 37 GLN H 1 37 GLN HA 1.800 . 3.000 2.297 2.289 2.305 . 0 0 "[ . 1 . 2]" 1
531 1 37 GLN H 1 37 GLN HB2 1.800 . 4.000 3.232 2.983 3.799 . 0 0 "[ . 1 . 2]" 1
532 1 37 GLN H 1 37 GLN HB3 1.800 . 4.000 3.841 3.474 4.068 0.068 8 0 "[ . 1 . 2]" 1
533 1 37 GLN H 1 37 GLN HG2 1.800 . 5.000 4.193 2.507 5.111 0.111 4 0 "[ . 1 . 2]" 1
534 1 37 GLN H 1 37 GLN HG3 1.800 . 5.000 4.464 3.359 5.072 0.072 11 0 "[ . 1 . 2]" 1
535 1 37 GLN H 1 38 GLU H 1.800 . 4.000 3.350 3.138 3.858 . 0 0 "[ . 1 . 2]" 1
536 1 37 GLN H 1 50 PHE HA 1.800 . 5.000 4.542 4.063 4.720 . 0 0 "[ . 1 . 2]" 1
537 1 37 GLN HA 1 38 GLU H 1.800 . 4.000 3.544 3.496 3.592 . 0 0 "[ . 1 . 2]" 1
538 1 37 GLN HA 1 50 PHE HA 1.800 . 6.000 5.620 5.140 5.919 . 0 0 "[ . 1 . 2]" 1
539 1 37 GLN HB2 1 38 GLU H 1.800 . 5.000 3.396 2.175 4.149 . 0 0 "[ . 1 . 2]" 1
540 1 37 GLN HB2 1 50 PHE HA 1.800 . 6.000 3.768 3.029 4.743 . 0 0 "[ . 1 . 2]" 1
541 1 37 GLN HB3 1 38 GLU H 1.800 . 5.000 2.825 1.965 3.909 . 0 0 "[ . 1 . 2]" 1
542 1 37 GLN HB3 1 50 PHE HA 1.800 . 6.000 4.136 3.421 5.515 . 0 0 "[ . 1 . 2]" 1
543 1 37 GLN HG2 1 38 GLU H 1.800 . 5.000 4.512 3.829 5.059 0.059 3 0 "[ . 1 . 2]" 1
544 1 37 GLN HG3 1 38 GLU H 1.800 . 5.000 4.697 3.498 5.060 0.060 10 0 "[ . 1 . 2]" 1
545 1 38 GLU H 1 38 GLU HA 1.800 . 3.000 2.892 2.856 2.932 . 0 0 "[ . 1 . 2]" 1
546 1 38 GLU H 1 38 GLU HB2 1.800 . 4.000 3.503 3.058 4.040 0.040 4 0 "[ . 1 . 2]" 1
547 1 38 GLU H 1 38 GLU HB3 1.800 . 4.000 3.093 2.881 3.512 . 0 0 "[ . 1 . 2]" 1
548 1 38 GLU H 1 38 GLU HG2 1.800 . 5.000 4.169 2.112 5.059 0.059 7 0 "[ . 1 . 2]" 1
549 1 38 GLU H 1 38 GLU HG3 1.800 . 5.000 4.304 2.641 5.008 0.008 10 0 "[ . 1 . 2]" 1
550 1 38 GLU H 1 39 GLY H 1.800 . 5.000 4.245 4.054 4.370 . 0 0 "[ . 1 . 2]" 1
551 1 38 GLU H 1 48 CYS HA 1.800 . 6.000 5.871 5.620 6.020 0.020 9 0 "[ . 1 . 2]" 1
552 1 38 GLU H 1 48 CYS QB 1.800 . 6.000 4.773 4.303 5.201 . 0 0 "[ . 1 . 2]" 1
553 1 38 GLU H 1 49 TYR H 1.800 . 4.000 4.055 4.015 4.116 0.116 19 0 "[ . 1 . 2]" 1
554 1 38 GLU H 1 49 TYR HA 1.800 . 6.000 5.895 5.802 5.996 . 0 0 "[ . 1 . 2]" 1
555 1 38 GLU H 1 49 TYR HB2 1.800 . 6.000 4.772 4.490 4.992 . 0 0 "[ . 1 . 2]" 1
556 1 38 GLU H 1 49 TYR HB3 1.800 . 6.000 5.981 5.748 6.066 0.066 11 0 "[ . 1 . 2]" 1
557 1 38 GLU H 1 50 PHE HA 1.800 . 5.000 3.831 3.552 4.206 . 0 0 "[ . 1 . 2]" 1
558 1 38 GLU HA 1 39 GLY H 1.800 . 3.000 2.216 2.117 2.286 . 0 0 "[ . 1 . 2]" 1
559 1 38 GLU HA 1 49 TYR H 1.800 . 6.000 5.208 5.136 5.368 . 0 0 "[ . 1 . 2]" 1
560 1 38 GLU HB2 1 39 GLY H 1.800 . 4.000 3.801 2.809 4.150 0.150 17 0 "[ . 1 . 2]" 1
561 1 38 GLU HB2 1 49 TYR H 1.800 . 6.000 5.865 5.181 6.086 0.086 16 0 "[ . 1 . 2]" 1
562 1 38 GLU HB3 1 39 GLY H 1.800 . 4.000 3.937 3.550 4.123 0.123 15 0 "[ . 1 . 2]" 1
563 1 38 GLU HB3 1 49 TYR H 1.800 . 6.000 5.007 4.573 6.131 0.131 15 0 "[ . 1 . 2]" 1
564 1 38 GLU QG 1 39 GLY H 1.800 . 5.000 2.611 1.891 4.219 . 0 0 "[ . 1 . 2]" 1
565 1 38 GLU QG 1 40 LYS H 1.800 . 6.000 5.207 4.741 6.030 0.030 4 0 "[ . 1 . 2]" 1
566 1 39 GLY H 1 39 GLY HA2 1.800 . 3.000 2.894 2.872 2.938 . 0 0 "[ . 1 . 2]" 1
567 1 39 GLY H 1 39 GLY HA3 1.800 . 3.000 2.706 2.605 2.739 . 0 0 "[ . 1 . 2]" 1
568 1 39 GLY H 1 40 LYS H 1.800 . 6.000 4.379 4.356 4.432 . 0 0 "[ . 1 . 2]" 1
569 1 39 GLY H 1 49 TYR H 1.800 . 6.000 4.597 4.475 4.848 . 0 0 "[ . 1 . 2]" 1
570 1 39 GLY QA 1 48 CYS HA 1.800 . 5.000 1.988 1.936 2.070 . 0 0 "[ . 1 . 2]" 1
571 1 39 GLY HA2 1 40 LYS H 1.800 . 3.000 2.376 2.311 2.423 . 0 0 "[ . 1 . 2]" 1
572 1 39 GLY HA2 1 49 TYR H 1.800 . 4.000 2.543 2.376 2.754 . 0 0 "[ . 1 . 2]" 1
573 1 39 GLY HA3 1 40 LYS H 1.800 . 3.000 2.777 2.736 2.836 . 0 0 "[ . 1 . 2]" 1
574 1 39 GLY HA3 1 49 TYR H 1.800 . 4.000 3.185 3.027 3.576 . 0 0 "[ . 1 . 2]" 1
575 1 40 LYS H 1 40 LYS HA 1.800 . 3.000 2.952 2.946 2.959 . 0 0 "[ . 1 . 2]" 1
576 1 40 LYS H 1 40 LYS HB2 1.800 . 4.000 2.440 2.308 2.952 . 0 0 "[ . 1 . 2]" 1
577 1 40 LYS H 1 40 LYS HB3 1.800 . 4.000 3.461 2.605 3.751 . 0 0 "[ . 1 . 2]" 1
578 1 40 LYS H 1 40 LYS QG 1.800 . 5.000 3.451 2.548 4.114 . 0 0 "[ . 1 . 2]" 1
579 1 40 LYS H 1 46 CYS HA 1.800 . 6.000 5.963 5.665 6.058 0.058 2 0 "[ . 1 . 2]" 1
580 1 40 LYS H 1 46 CYS QB 1.800 . 6.000 5.182 4.667 6.053 0.053 6 0 "[ . 1 . 2]" 1
581 1 40 LYS H 1 47 THR H 1.800 . 4.500 4.126 3.817 4.366 . 0 0 "[ . 1 . 2]" 1
582 1 40 LYS H 1 47 THR HB 1.800 . 6.000 4.755 4.285 5.700 . 0 0 "[ . 1 . 2]" 1
583 1 40 LYS H 1 47 THR MG 1.800 . 6.000 5.058 2.853 5.628 . 0 0 "[ . 1 . 2]" 1
584 1 40 LYS H 1 48 CYS HA 1.800 . 3.000 2.573 2.369 2.718 . 0 0 "[ . 1 . 2]" 1
585 1 40 LYS H 1 49 TYR H 1.800 . 4.500 4.381 4.262 4.550 0.050 11 0 "[ . 1 . 2]" 1
586 1 40 LYS H 1 49 TYR QE 1.800 . 6.000 3.625 2.707 4.620 . 0 0 "[ . 1 . 2]" 1
587 1 40 LYS HA 1 47 THR H 1.800 . 6.000 5.456 5.153 5.764 . 0 0 "[ . 1 . 2]" 1
588 1 40 LYS HB2 1 47 THR H 1.800 . 6.000 4.465 3.751 5.457 . 0 0 "[ . 1 . 2]" 1
589 1 40 LYS HB2 1 47 THR HB 1.800 . 6.000 4.849 4.031 6.028 0.028 19 0 "[ . 1 . 2]" 1
590 1 40 LYS HB3 1 47 THR H 1.800 . 6.000 4.463 3.811 5.084 . 0 0 "[ . 1 . 2]" 1
591 1 40 LYS HB3 1 47 THR HB 1.800 . 6.000 5.652 4.460 6.031 0.031 14 0 "[ . 1 . 2]" 1
592 1 40 LYS QG 1 47 THR H 1.800 . 6.000 5.740 4.439 6.076 0.076 14 0 "[ . 1 . 2]" 1
593 1 40 LYS QG 1 49 TYR H 1.800 . 6.000 6.494 5.213 7.818 1.818 5 9 "[** *+ -1* * **]" 1
594 1 41 PRO HA 1 42 GLY H 1.800 . 3.000 2.359 2.320 2.391 . 0 0 "[ . 1 . 2]" 1
595 1 41 PRO HA 1 47 THR H 1.800 . 4.000 3.621 3.022 4.005 0.005 15 0 "[ . 1 . 2]" 1
596 1 41 PRO HB2 1 42 GLY H 1.800 . 4.000 2.659 2.626 2.725 . 0 0 "[ . 1 . 2]" 1
597 1 41 PRO HB3 1 42 GLY H 1.800 . 4.000 3.662 3.608 3.718 . 0 0 "[ . 1 . 2]" 1
598 1 41 PRO HD2 1 42 GLY H 1.800 . 6.000 5.161 5.118 5.233 . 0 0 "[ . 1 . 2]" 1
599 1 41 PRO HD3 1 42 GLY H 1.800 . 6.000 5.675 5.649 5.695 . 0 0 "[ . 1 . 2]" 1
600 1 41 PRO HG2 1 42 GLY H 1.800 . 5.000 4.281 4.230 4.326 . 0 0 "[ . 1 . 2]" 1
601 1 41 PRO HG3 1 42 GLY H 1.800 . 5.000 5.098 5.073 5.127 0.127 10 0 "[ . 1 . 2]" 1
602 1 42 GLY H 1 42 GLY HA2 1.800 . 3.000 2.890 2.871 2.919 . 0 0 "[ . 1 . 2]" 1
603 1 42 GLY H 1 42 GLY HA3 1.800 . 3.000 2.711 2.660 2.741 . 0 0 "[ . 1 . 2]" 1
604 1 42 GLY H 1 43 PHE H 1.800 . 5.000 4.317 3.699 4.383 . 0 0 "[ . 1 . 2]" 1
605 1 42 GLY H 1 45 LYS H 1.800 . 4.500 4.441 4.047 4.565 0.065 15 0 "[ . 1 . 2]" 1
606 1 42 GLY H 1 46 CYS H 1.800 . 6.000 5.113 4.705 5.435 . 0 0 "[ . 1 . 2]" 1
607 1 42 GLY H 1 46 CYS HA 1.800 . 3.000 2.928 2.672 3.059 0.059 14 0 "[ . 1 . 2]" 1
608 1 42 GLY H 1 47 THR H 1.800 . 4.500 4.503 4.343 4.559 0.059 15 0 "[ . 1 . 2]" 1
609 1 42 GLY HA2 1 43 PHE H 1.800 . 4.000 2.354 2.192 2.437 . 0 0 "[ . 1 . 2]" 1
610 1 42 GLY HA2 1 45 LYS H 1.800 . 6.000 5.182 4.927 5.765 . 0 0 "[ . 1 . 2]" 1
611 1 42 GLY HA3 1 43 PHE H 1.800 . 4.000 2.869 2.752 3.406 . 0 0 "[ . 1 . 2]" 1
612 1 42 GLY HA3 1 45 LYS H 1.800 . 6.000 4.284 3.974 5.017 . 0 0 "[ . 1 . 2]" 1
613 1 43 PHE H 1 43 PHE HA 1.800 . 3.000 2.877 2.678 2.913 . 0 0 "[ . 1 . 2]" 1
614 1 43 PHE H 1 44 PHE H 1.800 . 5.000 4.534 4.419 4.593 . 0 0 "[ . 1 . 2]" 1
615 1 43 PHE H 1 45 LYS H 1.800 . 6.000 4.333 3.982 5.037 . 0 0 "[ . 1 . 2]" 1
616 1 43 PHE H 1 45 LYS QD 1.800 . 6.000 5.377 4.172 6.035 0.035 17 0 "[ . 1 . 2]" 1
617 1 43 PHE HA 1 44 PHE H 1.800 . 3.000 2.174 2.141 2.210 . 0 0 "[ . 1 . 2]" 1
618 1 43 PHE HA 1 45 LYS H 1.800 . 5.000 3.371 3.189 3.686 . 0 0 "[ . 1 . 2]" 1
619 1 43 PHE HB2 1 44 PHE H 1.800 . 5.000 3.701 3.261 4.404 . 0 0 "[ . 1 . 2]" 1
620 1 43 PHE HB3 1 44 PHE H 1.800 . 5.000 3.737 3.094 4.337 . 0 0 "[ . 1 . 2]" 1
621 1 44 PHE H 1 44 PHE HA 1.800 . 3.000 2.309 2.294 2.337 . 0 0 "[ . 1 . 2]" 1
622 1 44 PHE H 1 44 PHE HB2 1.800 . 4.000 3.470 2.991 3.988 . 0 0 "[ . 1 . 2]" 1
623 1 44 PHE H 1 44 PHE HB3 1.800 . 4.000 3.798 3.023 4.008 0.008 13 0 "[ . 1 . 2]" 1
624 1 44 PHE H 1 45 LYS H 1.800 . 4.500 2.578 2.318 2.823 . 0 0 "[ . 1 . 2]" 1
625 1 44 PHE HA 1 45 LYS H 1.800 . 3.500 3.127 2.819 3.265 . 0 0 "[ . 1 . 2]" 1
626 1 44 PHE HB2 1 45 LYS H 1.800 . 4.500 4.148 3.644 4.599 0.099 9 0 "[ . 1 . 2]" 1
627 1 44 PHE HB3 1 45 LYS H 1.800 . 4.500 4.113 3.583 4.577 0.077 4 0 "[ . 1 . 2]" 1
628 1 45 LYS H 1 45 LYS HA 1.800 . 3.000 2.775 2.670 2.877 . 0 0 "[ . 1 . 2]" 1
629 1 45 LYS H 1 45 LYS HB2 1.800 . 4.000 4.018 3.431 4.108 0.108 9 0 "[ . 1 . 2]" 1
630 1 45 LYS H 1 45 LYS HB3 1.800 . 4.000 3.639 3.211 3.821 . 0 0 "[ . 1 . 2]" 1
631 1 45 LYS H 1 45 LYS HD2 1.800 . 6.000 5.098 4.579 5.743 . 0 0 "[ . 1 . 2]" 1
632 1 45 LYS H 1 45 LYS HD3 1.800 . 6.000 5.119 3.755 5.600 . 0 0 "[ . 1 . 2]" 1
633 1 45 LYS H 1 45 LYS HG2 1.800 . 5.000 3.196 2.457 4.573 . 0 0 "[ . 1 . 2]" 1
634 1 45 LYS H 1 45 LYS HG3 1.800 . 5.000 3.312 2.554 4.977 . 0 0 "[ . 1 . 2]" 1
635 1 45 LYS H 1 46 CYS H 1.800 . 5.000 4.324 4.210 4.375 . 0 0 "[ . 1 . 2]" 1
636 1 45 LYS HA 1 46 CYS H 1.800 . 4.000 2.465 2.247 2.678 . 0 0 "[ . 1 . 2]" 1
637 1 45 LYS HB2 1 46 CYS H 1.800 . 4.000 2.396 1.868 4.046 0.046 8 0 "[ . 1 . 2]" 1
638 1 45 LYS HB3 1 46 CYS H 1.800 . 4.000 3.615 3.265 3.920 . 0 0 "[ . 1 . 2]" 1
639 1 45 LYS HD2 1 46 CYS H 1.800 . 6.000 4.721 3.247 5.698 . 0 0 "[ . 1 . 2]" 1
640 1 45 LYS HD3 1 46 CYS H 1.800 . 6.000 4.945 4.042 5.737 . 0 0 "[ . 1 . 2]" 1
641 1 45 LYS HG2 1 46 CYS H 1.800 . 5.000 4.477 1.858 5.087 0.087 9 0 "[ . 1 . 2]" 1
642 1 45 LYS HG3 1 46 CYS H 1.800 . 5.000 3.767 2.798 4.279 . 0 0 "[ . 1 . 2]" 1
643 1 46 CYS H 1 46 CYS HA 1.800 . 3.000 2.905 2.865 2.942 . 0 0 "[ . 1 . 2]" 1
644 1 46 CYS H 1 46 CYS HB2 1.800 . 4.000 3.132 2.700 3.968 . 0 0 "[ . 1 . 2]" 1
645 1 46 CYS H 1 46 CYS HB3 1.800 . 4.000 3.842 3.274 4.001 0.001 3 0 "[ . 1 . 2]" 1
646 1 46 CYS H 1 47 THR H 1.800 . 6.000 4.234 4.018 4.398 . 0 0 "[ . 1 . 2]" 1
647 1 46 CYS HA 1 47 THR H 1.800 . 3.000 2.206 2.143 2.392 . 0 0 "[ . 1 . 2]" 1
648 1 46 CYS HB2 1 47 THR H 1.800 . 5.000 3.846 2.480 4.407 . 0 0 "[ . 1 . 2]" 1
649 1 46 CYS HB3 1 47 THR H 1.800 . 5.000 3.285 2.641 3.860 . 0 0 "[ . 1 . 2]" 1
650 1 47 THR H 1 47 THR HA 1.800 . 3.000 2.956 2.948 2.960 . 0 0 "[ . 1 . 2]" 1
651 1 47 THR H 1 47 THR HB 1.800 . 4.000 3.526 2.635 3.788 . 0 0 "[ . 1 . 2]" 1
652 1 47 THR H 1 47 THR MG 1.800 . 5.000 2.883 2.323 3.211 . 0 0 "[ . 1 . 2]" 1
653 1 47 THR H 1 48 CYS H 1.800 . 5.000 4.385 4.053 4.489 . 0 0 "[ . 1 . 2]" 1
654 1 47 THR HA 1 48 CYS H 1.800 . 3.000 2.162 2.129 2.233 . 0 0 "[ . 1 . 2]" 1
655 1 47 THR HB 1 48 CYS H 1.800 . 5.000 3.457 2.938 4.386 . 0 0 "[ . 1 . 2]" 1
656 1 47 THR MG 1 48 CYS H 1.800 . 5.000 3.775 3.430 4.041 . 0 0 "[ . 1 . 2]" 1
657 1 48 CYS H 1 48 CYS HA 1.800 . 3.000 2.950 2.918 2.957 . 0 0 "[ . 1 . 2]" 1
658 1 48 CYS H 1 48 CYS HB2 1.800 . 4.000 3.186 2.925 3.785 . 0 0 "[ . 1 . 2]" 1
659 1 48 CYS H 1 48 CYS HB3 1.800 . 4.000 3.704 2.817 3.897 . 0 0 "[ . 1 . 2]" 1
660 1 48 CYS H 1 49 TYR H 1.800 . 5.000 4.478 4.399 4.542 . 0 0 "[ . 1 . 2]" 1
661 1 48 CYS HA 1 49 TYR H 1.800 . 3.000 2.369 2.290 2.433 . 0 0 "[ . 1 . 2]" 1
662 1 48 CYS HB2 1 49 TYR H 1.800 . 5.000 3.115 2.454 3.441 . 0 0 "[ . 1 . 2]" 1
663 1 48 CYS HB3 1 49 TYR H 1.800 . 5.000 3.012 2.584 4.039 . 0 0 "[ . 1 . 2]" 1
664 1 49 TYR H 1 49 TYR HA 1.800 . 3.000 2.956 2.934 2.967 . 0 0 "[ . 1 . 2]" 1
665 1 49 TYR H 1 49 TYR HB2 1.800 . 4.000 2.771 2.591 2.982 . 0 0 "[ . 1 . 2]" 1
666 1 49 TYR H 1 49 TYR HB3 1.800 . 4.000 3.833 3.738 3.902 . 0 0 "[ . 1 . 2]" 1
667 1 49 TYR H 1 50 PHE H 1.800 . 5.000 4.421 4.321 4.496 . 0 0 "[ . 1 . 2]" 1
668 1 49 TYR H 1 50 PHE HA 1.800 . 5.000 4.762 4.659 4.888 . 0 0 "[ . 1 . 2]" 1
669 1 49 TYR H 1 51 THR H 1.800 . 5.500 5.477 5.285 5.549 0.049 7 0 "[ . 1 . 2]" 1
670 1 49 TYR HA 1 50 PHE H 1.800 . 3.000 2.281 2.201 2.385 . 0 0 "[ . 1 . 2]" 1
671 1 49 TYR HB2 1 50 PHE H 1.800 . 5.000 3.832 3.553 4.074 . 0 0 "[ . 1 . 2]" 1
672 1 49 TYR HB3 1 50 PHE H 1.800 . 5.000 2.880 2.569 3.267 . 0 0 "[ . 1 . 2]" 1
673 1 49 TYR QD 1 50 PHE H 1.800 . 6.000 4.140 3.827 4.626 . 0 0 "[ . 1 . 2]" 1
674 1 49 TYR QE 1 50 PHE H 1.800 . 6.000 6.228 5.786 6.546 0.546 11 3 "[ . - 1+ . *2]" 1
675 1 50 PHE H 1 50 PHE HA 1.800 . 3.000 2.940 2.932 2.952 . 0 0 "[ . 1 . 2]" 1
676 1 50 PHE H 1 50 PHE HB2 1.800 . 4.000 3.014 2.676 3.195 . 0 0 "[ . 1 . 2]" 1
677 1 50 PHE H 1 50 PHE HB3 1.800 . 4.000 2.513 2.315 3.727 . 0 0 "[ . 1 . 2]" 1
678 1 50 PHE H 1 51 THR H 1.800 . 6.000 4.160 4.095 4.256 . 0 0 "[ . 1 . 2]" 1
679 1 50 PHE HA 1 51 THR H 1.800 . 4.000 2.190 2.143 2.209 . 0 0 "[ . 1 . 2]" 1
680 1 50 PHE HA 1 52 THR MG 1.800 . 6.000 4.778 4.070 6.013 0.013 5 0 "[ . 1 . 2]" 1
681 1 50 PHE HB2 1 51 THR H 1.800 . 5.000 4.393 4.251 4.461 . 0 0 "[ . 1 . 2]" 1
682 1 50 PHE HB3 1 51 THR H 1.800 . 5.000 4.445 3.733 4.552 . 0 0 "[ . 1 . 2]" 1
683 1 51 THR H 1 51 THR HA 1.800 . 3.000 2.769 2.639 2.859 . 0 0 "[ . 1 . 2]" 1
684 1 51 THR H 1 51 THR HB 1.800 . 4.000 2.759 2.380 3.607 . 0 0 "[ . 1 . 2]" 1
685 1 51 THR H 1 51 THR MG 1.800 . 5.000 3.540 2.020 3.758 . 0 0 "[ . 1 . 2]" 1
686 1 51 THR H 1 52 THR H 1.800 . 6.000 4.189 3.814 4.520 . 0 0 "[ . 1 . 2]" 1
687 1 51 THR HA 1 52 THR H 1.800 . 4.000 2.255 2.153 2.478 . 0 0 "[ . 1 . 2]" 1
688 1 51 THR HA 1 53 GLY H 1.800 . 6.000 5.358 3.102 6.089 0.089 9 0 "[ . 1 . 2]" 1
689 1 51 THR HB 1 52 THR H 1.800 . 5.000 4.387 4.022 4.609 . 0 0 "[ . 1 . 2]" 1
690 1 51 THR MG 1 52 THR H 1.800 . 6.000 3.390 2.559 4.335 . 0 0 "[ . 1 . 2]" 1
691 1 52 THR H 1 52 THR HA 1.800 . 3.000 2.938 2.859 2.959 . 0 0 "[ . 1 . 2]" 1
692 1 52 THR H 1 52 THR HB 1.800 . 4.000 3.546 2.859 3.866 . 0 0 "[ . 1 . 2]" 1
693 1 52 THR H 1 52 THR MG 1.800 . 5.000 3.175 1.742 3.922 0.058 16 0 "[ . 1 . 2]" 1
694 1 52 THR H 1 53 GLY H 1.800 . 5.000 3.902 2.248 4.422 . 0 0 "[ . 1 . 2]" 1
695 1 52 THR HA 1 53 GLY H 1.800 . 3.000 2.311 2.141 3.079 0.079 9 0 "[ . 1 . 2]" 1
696 1 52 THR HB 1 53 GLY H 1.800 . 4.000 3.678 1.779 4.055 0.055 12 0 "[ . 1 . 2]" 1
697 1 52 THR MG 1 53 GLY H 1.800 . 6.000 3.805 1.965 4.439 . 0 0 "[ . 1 . 2]" 1
698 1 53 GLY H 1 53 GLY HA2 1.800 . 3.000 2.720 2.302 2.962 . 0 0 "[ . 1 . 2]" 1
699 1 53 GLY H 1 53 GLY HA3 1.800 . 3.000 2.653 2.302 2.959 . 0 0 "[ . 1 . 2]" 1
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