NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
401336 |
1vfi   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1vfi
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 1087
_Distance_constraint_stats_list.Viol_count 1236
_Distance_constraint_stats_list.Viol_total 2705.047
_Distance_constraint_stats_list.Viol_max 0.970
_Distance_constraint_stats_list.Viol_rms 0.0465
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.1094
_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 5 ALA 0.199 0.199 9 0 "[ . 1 . 2]"
1 6 PRO 0.256 0.199 9 0 "[ . 1 . 2]"
1 7 VAL 1.141 0.181 19 0 "[ . 1 . 2]"
1 8 ASP 3.906 0.822 18 3 "[* . 1 - . + 2]"
1 9 CYS 8.547 0.692 12 9 "[ ***. 1 +*-** *]"
1 10 LYS 0.308 0.087 18 0 "[ . 1 . 2]"
1 12 GLN 6.047 0.564 12 5 "[ * . 1 +*-. *]"
1 13 CYS 3.289 0.970 19 1 "[ . 1 . +2]"
1 14 THR 0.036 0.013 20 0 "[ . 1 . 2]"
1 15 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 PRO 1.150 0.108 19 0 "[ . 1 . 2]"
1 17 CYS 1.137 0.100 3 0 "[ . 1 . 2]"
1 18 GLU 0.269 0.026 20 0 "[ . 1 . 2]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.880 0.093 17 0 "[ . 1 . 2]"
1 21 THR 0.260 0.026 20 0 "[ . 1 . 2]"
1 22 ALA 0.032 0.009 6 0 "[ . 1 . 2]"
1 23 CYS 1.284 0.117 4 0 "[ . 1 . 2]"
1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLU 4.882 0.231 10 0 "[ . 1 . 2]"
1 26 LYS 6.168 0.231 10 0 "[ . 1 . 2]"
1 27 CYS 0.156 0.057 13 0 "[ . 1 . 2]"
1 28 ALA 0.014 0.005 10 0 "[ . 1 . 2]"
1 29 GLU 1.049 0.062 9 0 "[ . 1 . 2]"
1 30 SER 0.235 0.057 13 0 "[ . 1 . 2]"
1 31 CYS 0.520 0.285 16 0 "[ . 1 . 2]"
1 32 GLU 2.963 0.797 13 1 "[ . 1 + . 2]"
1 33 THR 1.073 0.203 6 0 "[ . 1 . 2]"
1 34 SER 2.052 0.591 9 1 "[ . +1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LYS 4.229 0.797 13 3 "[ * . -1 + . 2]"
1 38 LYS 4.245 0.913 3 5 "[* + . * 1- *. 2]"
1 39 THR 0.202 0.124 15 0 "[ . 1 . 2]"
1 40 CYS 3.889 0.421 10 0 "[ . 1 . 2]"
1 41 ARG 2.153 0.448 5 0 "[ . 1 . 2]"
1 42 ARG 4.613 0.913 3 5 "[* + . * 1- *. 2]"
1 43 ASN 10.336 0.521 7 1 "[ . + 1 . 2]"
1 44 CYS 2.634 0.312 5 0 "[ . 1 . 2]"
1 45 LYS 8.463 0.509 19 1 "[ . 1 . +2]"
1 46 LYS 0.991 0.618 15 1 "[ . 1 + 2]"
1 47 ALA 0.404 0.141 3 0 "[ . 1 . 2]"
1 48 ASP 2.597 0.527 12 1 "[ . 1 + . 2]"
1 49 CYS 2.019 0.509 19 1 "[ . 1 . +2]"
1 50 GLU 2.565 0.618 15 1 "[ . 1 + 2]"
1 51 PRO 0.938 0.094 10 0 "[ . 1 . 2]"
1 52 GLN 5.273 0.371 19 0 "[ . 1 . 2]"
1 53 ASP 2.238 0.131 17 0 "[ . 1 . 2]"
1 54 LYS 1.184 0.061 20 0 "[ . 1 . 2]"
1 55 VAL 1.618 0.085 15 0 "[ . 1 . 2]"
1 56 CYS 0.359 0.168 3 0 "[ . 1 . 2]"
1 57 ASP 1.525 0.347 3 0 "[ . 1 . 2]"
1 58 ALA 0.457 0.144 3 0 "[ . 1 . 2]"
1 59 CYS 1.983 0.970 19 1 "[ . 1 . +2]"
1 60 ARG 2.722 0.667 4 1 "[ +. 1 . 2]"
1 61 MET 7.298 0.510 3 1 "[ + . 1 . 2]"
1 62 LYS 4.862 0.719 20 3 "[ . 1 -* +]"
1 63 CYS 11.442 0.719 20 6 "[ * *. 1 * -* +]"
1 64 HIS 7.701 0.964 10 6 "[ * + **- * 2]"
1 65 LYS 4.612 0.555 7 8 "[** **+ -* * . 2]"
1 66 ALA 0.396 0.084 16 0 "[ . 1 . 2]"
1 67 CYS 0.897 0.793 9 1 "[ . +1 . 2]"
1 68 ARG 1.108 0.428 2 0 "[ . 1 . 2]"
1 69 ALA 0.048 0.012 10 0 "[ . 1 . 2]"
1 70 ALA 0.027 0.026 8 0 "[ . 1 . 2]"
1 71 ASN 2.083 0.793 9 1 "[ . +1 . 2]"
1 72 CYS 2.338 0.428 2 0 "[ . 1 . 2]"
1 73 ALA 0.061 0.020 8 0 "[ . 1 . 2]"
1 74 SER 1.843 0.417 13 0 "[ . 1 . 2]"
1 75 GLU 17.899 0.654 13 2 "[ . 1 + . -]"
1 76 CYS 0.920 0.420 19 0 "[ . 1 . 2]"
1 77 PRO 1.009 0.662 10 1 "[ . + . 2]"
1 78 LYS 0.675 0.662 10 1 "[ . + . 2]"
1 79 HIS 0.001 0.001 1 0 "[ . 1 . 2]"
1 80 GLU 0.132 0.085 8 0 "[ . 1 . 2]"
1 81 HIS 0.132 0.085 8 0 "[ . 1 . 2]"
1 82 LYS 1.772 0.405 14 0 "[ . 1 . 2]"
1 83 SER 0.031 0.017 2 0 "[ . 1 . 2]"
1 84 ASP 0.012 0.007 16 0 "[ . 1 . 2]"
1 85 THR 0.012 0.011 13 0 "[ . 1 . 2]"
1 86 CYS 0.577 0.344 7 0 "[ . 1 . 2]"
1 87 ARG 0.229 0.038 16 0 "[ . 1 . 2]"
1 88 ALA 0.060 0.015 20 0 "[ . 1 . 2]"
1 89 CYS 10.294 0.654 13 2 "[ . 1 + . - 2]"
1 90 MET 7.537 0.964 10 6 "[ * + **- * 2]"
1 91 LYS 2.425 0.314 7 0 "[ . 1 . 2]"
1 92 THR 1.411 0.656 7 1 "[ . + 1 . 2]"
1 93 ASN 3.117 0.656 7 2 "[ . + 1 . - 2]"
1 94 CYS 1.037 0.200 7 0 "[ . 1 . 2]"
1 95 LYS 3.546 0.822 18 3 "[* . 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 5 ALA HA 1 6 PRO HB3 . . 5.500 4.993 4.962 5.194 . 0 0 "[ . 1 . 2]" 1
2 1 5 ALA HA 1 6 PRO HD2 . . 3.150 2.749 2.187 2.926 . 0 0 "[ . 1 . 2]" 1
3 1 5 ALA HA 1 6 PRO HD3 . . 3.150 2.047 1.946 2.220 . 0 0 "[ . 1 . 2]" 1
4 1 5 ALA HA 1 6 PRO QG . . 4.700 3.974 3.888 4.060 . 0 0 "[ . 1 . 2]" 1
5 1 5 ALA MB 1 6 PRO HD2 . . 3.840 2.291 2.055 3.628 . 0 0 "[ . 1 . 2]" 1
6 1 5 ALA MB 1 6 PRO HD3 . . 3.680 2.955 2.718 3.879 0.199 9 0 "[ . 1 . 2]" 1
7 1 5 ALA MB 1 6 PRO QG . . 5.370 3.914 3.719 4.900 . 0 0 "[ . 1 . 2]" 1
8 1 6 PRO HA 1 7 VAL H . . 3.030 2.399 2.150 2.776 . 0 0 "[ . 1 . 2]" 1
9 1 6 PRO HA 1 7 VAL HA . . 4.510 4.249 4.201 4.399 . 0 0 "[ . 1 . 2]" 1
10 1 6 PRO HA 1 7 VAL QG . . 4.700 3.622 3.114 4.321 . 0 0 "[ . 1 . 2]" 1
11 1 6 PRO HA 1 93 ASN HA . . 4.250 3.847 2.649 4.262 0.012 10 0 "[ . 1 . 2]" 1
12 1 6 PRO HA 1 93 ASN HB3 . . 5.500 4.705 3.240 5.501 0.001 19 0 "[ . 1 . 2]" 1
13 1 6 PRO HB2 1 7 VAL H . . 4.200 2.860 1.961 3.764 . 0 0 "[ . 1 . 2]" 1
14 1 6 PRO HB3 1 7 VAL H . . 4.080 3.502 3.104 4.052 . 0 0 "[ . 1 . 2]" 1
15 1 6 PRO HB3 1 93 ASN HA . . 4.310 3.021 2.121 3.483 . 0 0 "[ . 1 . 2]" 1
16 1 6 PRO QG 1 93 ASN HA . . 4.730 4.476 3.214 4.743 0.013 20 0 "[ . 1 . 2]" 1
17 1 7 VAL H 1 7 VAL HB . . 3.490 2.423 2.262 2.817 . 0 0 "[ . 1 . 2]" 1
18 1 7 VAL H 1 7 VAL QG . . 3.650 2.310 1.911 2.918 . 0 0 "[ . 1 . 2]" 1
19 1 7 VAL H 1 94 CYS HA . . 5.500 3.451 2.359 4.426 . 0 0 "[ . 1 . 2]" 1
20 1 7 VAL HA 1 7 VAL QG . . 3.300 2.122 2.051 2.293 . 0 0 "[ . 1 . 2]" 1
21 1 7 VAL HA 1 8 ASP H . . 3.470 2.752 2.183 3.630 0.160 12 0 "[ . 1 . 2]" 1
22 1 7 VAL HA 1 8 ASP HB2 . . 5.500 4.586 4.046 5.681 0.181 19 0 "[ . 1 . 2]" 1
23 1 7 VAL HB 1 94 CYS HA . . 4.710 3.952 2.511 4.713 0.003 8 0 "[ . 1 . 2]" 1
24 1 7 VAL QG 1 8 ASP H . . 4.720 2.484 1.888 3.516 . 0 0 "[ . 1 . 2]" 1
25 1 7 VAL QG 1 12 GLN HE21 . . 5.280 3.713 2.562 4.458 . 0 0 "[ . 1 . 2]" 1
26 1 7 VAL QG 1 12 GLN HE22 . . 5.500 4.442 1.895 5.348 . 0 0 "[ . 1 . 2]" 1
27 1 7 VAL QG 1 12 GLN HG2 . . 5.230 4.498 3.560 5.117 . 0 0 "[ . 1 . 2]" 1
28 1 7 VAL QG 1 67 CYS HA . . 4.670 3.407 1.928 4.070 . 0 0 "[ . 1 . 2]" 1
29 1 7 VAL QG 1 67 CYS HB2 . . 5.040 2.794 1.888 3.664 . 0 0 "[ . 1 . 2]" 1
30 1 7 VAL QG 1 67 CYS HB3 . . 5.230 3.937 2.948 5.000 . 0 0 "[ . 1 . 2]" 1
31 1 7 VAL QG 1 70 ALA MB . . 5.500 3.418 1.822 4.511 . 0 0 "[ . 1 . 2]" 1
32 1 7 VAL QG 1 71 ASN HD21 . . 5.240 3.159 1.932 4.272 . 0 0 "[ . 1 . 2]" 1
33 1 7 VAL QG 1 71 ASN HD22 . . 4.730 2.859 1.876 4.135 . 0 0 "[ . 1 . 2]" 1
34 1 7 VAL QG 1 94 CYS HA . . 5.500 3.778 2.193 4.848 . 0 0 "[ . 1 . 2]" 1
35 1 8 ASP HA 1 95 LYS H . . 5.500 5.037 3.771 5.507 0.007 18 0 "[ . 1 . 2]" 1
36 1 8 ASP HA 1 95 LYS HB2 . . 4.610 4.242 2.597 5.432 0.822 18 3 "[* . 1 - . + 2]" 1
37 1 8 ASP HA 1 95 LYS HB3 . . 5.500 4.513 2.238 5.502 0.002 16 0 "[ . 1 . 2]" 1
38 1 9 CYS HA 1 12 GLN H . . 4.210 3.484 2.959 3.902 . 0 0 "[ . 1 . 2]" 1
39 1 9 CYS HA 1 12 GLN HB2 . . 3.630 2.562 2.075 3.710 0.080 12 0 "[ . 1 . 2]" 1
40 1 9 CYS HA 1 12 GLN HB3 . . 3.610 3.342 2.157 3.697 0.087 18 0 "[ . 1 . 2]" 1
41 1 9 CYS HA 1 12 GLN HG2 . . 4.940 4.636 3.860 4.988 0.048 18 0 "[ . 1 . 2]" 1
42 1 9 CYS HA 1 12 GLN HG3 . . 4.400 4.321 3.687 4.964 0.564 12 5 "[ * . 1 +*-. *]" 1
43 1 9 CYS HA 1 63 CYS HB3 . . 3.950 3.996 3.687 4.630 0.680 2 2 "[ + -. 1 . 2]" 1
44 1 9 CYS HB2 1 60 ARG HA . . 5.500 4.054 2.075 5.370 . 0 0 "[ . 1 . 2]" 1
45 1 9 CYS HB3 1 60 ARG HA . . 4.280 3.060 2.092 4.067 . 0 0 "[ . 1 . 2]" 1
46 1 9 CYS HB3 1 63 CYS HB2 . . 4.320 3.530 2.996 4.112 . 0 0 "[ . 1 . 2]" 1
47 1 9 CYS HB3 1 63 CYS HB3 . . 3.330 3.086 2.201 4.022 0.692 12 4 "[ . 1 + ** -]" 1
48 1 10 LYS H 1 10 LYS HB2 . . 3.530 2.401 2.009 3.562 0.032 20 0 "[ . 1 . 2]" 1
49 1 10 LYS H 1 10 LYS HB3 . . 3.640 3.139 2.361 3.626 . 0 0 "[ . 1 . 2]" 1
50 1 10 LYS H 1 10 LYS HG3 . . 5.500 3.959 2.646 4.620 . 0 0 "[ . 1 . 2]" 1
51 1 10 LYS HA 1 10 LYS HG3 . . 3.810 2.731 2.001 3.554 . 0 0 "[ . 1 . 2]" 1
52 1 10 LYS HA 1 13 CYS HB2 . . 5.360 3.329 2.744 3.938 . 0 0 "[ . 1 . 2]" 1
53 1 10 LYS HA 1 13 CYS HB3 . . 5.050 4.799 3.462 5.137 0.087 18 0 "[ . 1 . 2]" 1
54 1 12 GLN H 1 12 GLN HB2 . . 3.700 2.305 2.051 2.653 . 0 0 "[ . 1 . 2]" 1
55 1 12 GLN H 1 12 GLN HB3 . . 3.660 3.298 2.485 3.587 . 0 0 "[ . 1 . 2]" 1
56 1 12 GLN H 1 12 GLN HG2 . . 4.310 3.461 2.486 4.706 0.396 12 0 "[ . 1 . 2]" 1
57 1 12 GLN H 1 12 GLN HG3 . . 4.720 3.699 2.327 4.446 . 0 0 "[ . 1 . 2]" 1
58 1 12 GLN HA 1 12 GLN HG2 . . 4.010 2.746 2.154 3.739 . 0 0 "[ . 1 . 2]" 1
59 1 12 GLN HA 1 12 GLN HG3 . . 3.670 3.164 2.072 3.618 . 0 0 "[ . 1 . 2]" 1
60 1 12 GLN HB2 1 12 GLN HG3 . . 2.880 2.543 2.269 3.048 0.168 12 0 "[ . 1 . 2]" 1
61 1 12 GLN HB3 1 12 GLN HE22 . . 5.500 4.368 3.567 5.249 . 0 0 "[ . 1 . 2]" 1
62 1 12 GLN HB3 1 12 GLN HG3 . . 2.790 2.721 2.558 2.942 0.152 4 0 "[ . 1 . 2]" 1
63 1 13 CYS HA 1 16 PRO HB2 . . 5.320 4.612 4.310 4.770 . 0 0 "[ . 1 . 2]" 1
64 1 13 CYS HA 1 16 PRO HB3 . . 5.070 5.123 5.090 5.178 0.108 19 0 "[ . 1 . 2]" 1
65 1 13 CYS HA 1 16 PRO HD2 . . 3.510 2.555 2.446 2.663 . 0 0 "[ . 1 . 2]" 1
66 1 13 CYS HA 1 16 PRO HD3 . . 4.120 3.453 3.173 3.874 . 0 0 "[ . 1 . 2]" 1
67 1 13 CYS HA 1 16 PRO HG2 . . 4.520 2.338 2.189 2.466 . 0 0 "[ . 1 . 2]" 1
68 1 13 CYS HA 1 16 PRO HG3 . . 4.900 3.209 3.078 3.529 . 0 0 "[ . 1 . 2]" 1
69 1 13 CYS HB2 1 59 CYS HB3 . . 5.500 4.246 3.709 4.789 . 0 0 "[ . 1 . 2]" 1
70 1 13 CYS HB2 1 60 ARG HG2 . . 4.760 3.763 3.009 4.478 . 0 0 "[ . 1 . 2]" 1
71 1 13 CYS HB2 1 60 ARG HG3 . . 4.760 4.445 3.569 4.770 0.010 16 0 "[ . 1 . 2]" 1
72 1 13 CYS HB3 1 59 CYS HB2 . . 4.520 4.090 3.620 5.490 0.970 19 1 "[ . 1 . +2]" 1
73 1 13 CYS HB3 1 59 CYS HB3 . . 3.910 3.114 2.559 4.646 0.736 19 1 "[ . 1 . +2]" 1
74 1 13 CYS HB3 1 60 ARG HG3 . . 4.600 4.220 3.628 4.784 0.184 19 0 "[ . 1 . 2]" 1
75 1 14 THR H 1 14 THR HB . . 3.590 2.298 2.200 2.405 . 0 0 "[ . 1 . 2]" 1
76 1 14 THR H 1 16 PRO HD2 . . 5.120 2.409 2.033 2.723 . 0 0 "[ . 1 . 2]" 1
77 1 14 THR HA 1 14 THR MG . . 3.380 2.553 2.454 2.600 . 0 0 "[ . 1 . 2]" 1
78 1 14 THR HA 1 16 PRO HD2 . . 4.310 3.615 3.474 3.833 . 0 0 "[ . 1 . 2]" 1
79 1 14 THR HA 1 17 CYS H . . 4.740 3.368 3.221 3.624 . 0 0 "[ . 1 . 2]" 1
80 1 14 THR HA 1 17 CYS HB2 . . 4.550 2.909 2.644 3.172 . 0 0 "[ . 1 . 2]" 1
81 1 14 THR HA 1 17 CYS HB3 . . 4.760 4.552 4.313 4.761 0.001 19 0 "[ . 1 . 2]" 1
82 1 14 THR HB 1 15 THR H . . 4.960 2.811 2.647 3.003 . 0 0 "[ . 1 . 2]" 1
83 1 14 THR MG 1 18 GLU H . . 5.500 4.664 4.503 4.821 . 0 0 "[ . 1 . 2]" 1
84 1 14 THR MG 1 18 GLU HA . . 4.590 3.543 3.290 3.821 . 0 0 "[ . 1 . 2]" 1
85 1 14 THR MG 1 18 GLU HB2 . . 4.370 4.151 3.915 4.366 . 0 0 "[ . 1 . 2]" 1
86 1 14 THR MG 1 18 GLU HB3 . . 4.980 4.920 4.753 4.993 0.013 20 0 "[ . 1 . 2]" 1
87 1 14 THR MG 1 18 GLU HG2 . . 4.600 3.080 2.538 3.589 . 0 0 "[ . 1 . 2]" 1
88 1 14 THR MG 1 18 GLU HG3 . . 4.470 2.463 2.253 2.917 . 0 0 "[ . 1 . 2]" 1
89 1 15 THR H 1 16 PRO HG3 . . 4.570 4.369 4.249 4.524 . 0 0 "[ . 1 . 2]" 1
90 1 15 THR HA 1 15 THR MG . . 2.870 2.753 2.714 2.789 . 0 0 "[ . 1 . 2]" 1
91 1 15 THR HA 1 17 CYS H . . 4.900 3.962 3.753 4.237 . 0 0 "[ . 1 . 2]" 1
92 1 15 THR HA 1 18 GLU H . . 4.430 3.565 3.297 3.789 . 0 0 "[ . 1 . 2]" 1
93 1 15 THR HA 1 18 GLU HB2 . . 3.960 2.394 2.139 2.739 . 0 0 "[ . 1 . 2]" 1
94 1 15 THR HA 1 18 GLU HB3 . . 4.870 3.903 3.666 4.149 . 0 0 "[ . 1 . 2]" 1
95 1 15 THR HA 1 18 GLU HG3 . . 3.580 2.457 2.014 2.976 . 0 0 "[ . 1 . 2]" 1
96 1 15 THR HB 1 16 PRO HD2 . . 3.500 3.194 3.158 3.231 . 0 0 "[ . 1 . 2]" 1
97 1 15 THR HB 1 16 PRO HD3 . . 3.000 2.025 1.988 2.067 . 0 0 "[ . 1 . 2]" 1
98 1 15 THR MG 1 16 PRO HA . . 5.130 3.127 3.056 3.209 . 0 0 "[ . 1 . 2]" 1
99 1 15 THR MG 1 16 PRO HB3 . . 4.500 3.599 3.535 3.730 . 0 0 "[ . 1 . 2]" 1
100 1 15 THR MG 1 16 PRO HD2 . . 4.770 3.707 3.646 3.819 . 0 0 "[ . 1 . 2]" 1
101 1 15 THR MG 1 16 PRO HD3 . . 3.930 2.484 2.348 2.669 . 0 0 "[ . 1 . 2]" 1
102 1 15 THR MG 1 16 PRO HG3 . . 5.160 3.724 3.580 3.926 . 0 0 "[ . 1 . 2]" 1
103 1 15 THR MG 1 18 GLU HB3 . . 5.500 5.115 4.875 5.364 . 0 0 "[ . 1 . 2]" 1
104 1 16 PRO HA 1 18 GLU H . . 4.470 3.681 3.603 3.760 . 0 0 "[ . 1 . 2]" 1
105 1 16 PRO HA 1 55 VAL MG1 . . 4.070 2.862 2.032 3.500 . 0 0 "[ . 1 . 2]" 1
106 1 16 PRO HB2 1 17 CYS H . . 3.890 3.735 3.522 3.893 0.003 8 0 "[ . 1 . 2]" 1
107 1 16 PRO HB2 1 55 VAL MG1 . . 4.350 2.941 2.314 3.704 . 0 0 "[ . 1 . 2]" 1
108 1 16 PRO HB2 1 56 CYS HA . . 4.150 2.716 1.995 3.500 . 0 0 "[ . 1 . 2]" 1
109 1 16 PRO HB2 1 59 CYS HB2 . . 4.130 2.359 2.108 2.657 . 0 0 "[ . 1 . 2]" 1
110 1 16 PRO HB2 1 59 CYS HB3 . . 4.380 3.263 2.523 3.707 . 0 0 "[ . 1 . 2]" 1
111 1 16 PRO HB3 1 55 VAL MG1 . . 3.750 3.059 2.307 3.649 . 0 0 "[ . 1 . 2]" 1
112 1 16 PRO HB3 1 59 CYS HB2 . . 4.370 3.073 2.474 3.530 . 0 0 "[ . 1 . 2]" 1
113 1 16 PRO HD2 1 17 CYS H . . 3.060 2.403 2.281 2.540 . 0 0 "[ . 1 . 2]" 1
114 1 16 PRO HD3 1 17 CYS H . . 4.410 3.696 3.656 3.749 . 0 0 "[ . 1 . 2]" 1
115 1 16 PRO HD3 1 59 CYS HB2 . . 5.410 5.014 4.292 5.444 0.034 19 0 "[ . 1 . 2]" 1
116 1 16 PRO HG2 1 17 CYS H . . 3.840 3.396 3.101 3.636 . 0 0 "[ . 1 . 2]" 1
117 1 16 PRO HG2 1 59 CYS HA . . 5.500 4.674 4.343 4.964 . 0 0 "[ . 1 . 2]" 1
118 1 16 PRO HG2 1 59 CYS HB2 . . 4.100 2.629 2.049 2.984 . 0 0 "[ . 1 . 2]" 1
119 1 16 PRO HG2 1 59 CYS HB3 . . 4.700 3.082 2.356 3.685 . 0 0 "[ . 1 . 2]" 1
120 1 16 PRO HG3 1 59 CYS HB2 . . 4.490 2.906 2.025 3.417 . 0 0 "[ . 1 . 2]" 1
121 1 16 PRO HG3 1 59 CYS HB3 . . 5.340 4.074 3.100 4.762 . 0 0 "[ . 1 . 2]" 1
122 1 17 CYS H 1 17 CYS HB2 . . 3.670 2.702 2.611 2.804 . 0 0 "[ . 1 . 2]" 1
123 1 17 CYS H 1 17 CYS HB3 . . 3.710 3.763 3.711 3.810 0.100 3 0 "[ . 1 . 2]" 1
124 1 17 CYS H 1 18 GLU H . . 3.260 2.353 2.048 2.606 . 0 0 "[ . 1 . 2]" 1
125 1 17 CYS H 1 20 LEU QD . . 4.790 4.747 4.704 4.780 . 0 0 "[ . 1 . 2]" 1
126 1 17 CYS HA 1 20 LEU H . . 4.400 3.083 3.000 3.226 . 0 0 "[ . 1 . 2]" 1
127 1 17 CYS HA 1 20 LEU HB2 . . 5.500 3.582 3.396 3.744 . 0 0 "[ . 1 . 2]" 1
128 1 17 CYS HA 1 20 LEU HB3 . . 5.160 2.111 1.992 2.278 . 0 0 "[ . 1 . 2]" 1
129 1 17 CYS HA 1 56 CYS H . . 5.390 4.576 4.147 4.937 . 0 0 "[ . 1 . 2]" 1
130 1 17 CYS HA 1 56 CYS HA . . 3.800 3.714 3.420 3.836 0.036 18 0 "[ . 1 . 2]" 1
131 1 18 GLU H 1 18 GLU HB2 . . 3.160 2.062 2.032 2.104 . 0 0 "[ . 1 . 2]" 1
132 1 18 GLU H 1 18 GLU HB3 . . 3.360 3.151 3.018 3.240 . 0 0 "[ . 1 . 2]" 1
133 1 18 GLU H 1 18 GLU HG2 . . 4.430 4.148 3.787 4.311 . 0 0 "[ . 1 . 2]" 1
134 1 18 GLU H 1 18 GLU HG3 . . 4.100 3.762 3.566 3.992 . 0 0 "[ . 1 . 2]" 1
135 1 18 GLU H 1 19 PRO HD2 . . 3.540 2.044 1.946 2.154 . 0 0 "[ . 1 . 2]" 1
136 1 18 GLU H 1 19 PRO HD3 . . 3.540 2.404 2.255 2.506 . 0 0 "[ . 1 . 2]" 1
137 1 18 GLU HA 1 18 GLU HG2 . . 3.540 2.115 1.995 2.350 . 0 0 "[ . 1 . 2]" 1
138 1 18 GLU HA 1 18 GLU HG3 . . 4.230 2.851 2.521 3.350 . 0 0 "[ . 1 . 2]" 1
139 1 18 GLU HA 1 21 THR H . . 4.320 4.046 3.712 4.240 . 0 0 "[ . 1 . 2]" 1
140 1 18 GLU HA 1 21 THR HB . . 3.300 3.300 3.088 3.326 0.026 20 0 "[ . 1 . 2]" 1
141 1 18 GLU HA 1 22 ALA H . . 4.360 4.234 4.071 4.365 0.005 10 0 "[ . 1 . 2]" 1
142 1 18 GLU HB2 1 18 GLU HG3 . . 2.710 2.335 2.279 2.450 . 0 0 "[ . 1 . 2]" 1
143 1 18 GLU HB2 1 19 PRO HD2 . . 3.580 3.251 3.060 3.501 . 0 0 "[ . 1 . 2]" 1
144 1 18 GLU HB2 1 19 PRO HD3 . . 3.380 2.238 2.045 2.503 . 0 0 "[ . 1 . 2]" 1
145 1 18 GLU HB3 1 19 PRO HD2 . . 4.040 3.496 3.406 3.603 . 0 0 "[ . 1 . 2]" 1
146 1 18 GLU HB3 1 19 PRO HD3 . . 3.070 2.110 2.004 2.238 . 0 0 "[ . 1 . 2]" 1
147 1 18 GLU HG2 1 19 PRO HD3 . . 5.180 4.525 4.443 4.609 . 0 0 "[ . 1 . 2]" 1
148 1 18 GLU HG3 1 19 PRO HD3 . . 5.230 4.443 4.265 4.634 . 0 0 "[ . 1 . 2]" 1
149 1 19 PRO HA 1 22 ALA H . . 4.630 3.616 3.379 4.072 . 0 0 "[ . 1 . 2]" 1
150 1 19 PRO HA 1 22 ALA MB . . 3.240 2.578 2.290 3.087 . 0 0 "[ . 1 . 2]" 1
151 1 19 PRO HA 1 23 CYS H . . 4.830 4.137 3.808 4.399 . 0 0 "[ . 1 . 2]" 1
152 1 19 PRO HB2 1 20 LEU H . . 4.110 3.412 3.156 3.963 . 0 0 "[ . 1 . 2]" 1
153 1 19 PRO HB2 1 52 GLN HB3 . . 4.750 3.490 2.950 3.903 . 0 0 "[ . 1 . 2]" 1
154 1 19 PRO HB3 1 20 LEU H . . 4.650 4.282 4.139 4.579 . 0 0 "[ . 1 . 2]" 1
155 1 19 PRO HD2 1 20 LEU H . . 4.170 2.284 2.253 2.623 . 0 0 "[ . 1 . 2]" 1
156 1 19 PRO HD3 1 20 LEU H . . 5.480 3.670 3.655 3.786 . 0 0 "[ . 1 . 2]" 1
157 1 19 PRO HG2 1 20 LEU H . . 3.800 2.976 2.684 3.751 . 0 0 "[ . 1 . 2]" 1
158 1 19 PRO HG3 1 20 LEU H . . 5.500 4.170 3.985 4.682 . 0 0 "[ . 1 . 2]" 1
159 1 20 LEU H 1 20 LEU HB2 . . 3.450 2.859 2.733 3.163 . 0 0 "[ . 1 . 2]" 1
160 1 20 LEU H 1 20 LEU HB3 . . 3.250 2.117 2.076 2.179 . 0 0 "[ . 1 . 2]" 1
161 1 20 LEU H 1 20 LEU QD . . 4.660 3.508 3.299 3.683 . 0 0 "[ . 1 . 2]" 1
162 1 20 LEU H 1 21 THR H . . 3.660 2.782 2.478 2.939 . 0 0 "[ . 1 . 2]" 1
163 1 20 LEU H 1 22 ALA H . . 5.500 4.203 3.788 4.558 . 0 0 "[ . 1 . 2]" 1
164 1 20 LEU H 1 52 GLN HB3 . . 5.020 3.181 2.782 3.480 . 0 0 "[ . 1 . 2]" 1
165 1 20 LEU HA 1 20 LEU QD . . 3.440 2.298 1.958 2.636 . 0 0 "[ . 1 . 2]" 1
166 1 20 LEU HA 1 23 CYS H . . 4.070 3.449 3.296 3.614 . 0 0 "[ . 1 . 2]" 1
167 1 20 LEU HA 1 23 CYS HB2 . . 3.970 2.846 2.469 3.800 . 0 0 "[ . 1 . 2]" 1
168 1 20 LEU HA 1 23 CYS HB3 . . 3.640 3.220 2.828 3.606 . 0 0 "[ . 1 . 2]" 1
169 1 20 LEU HA 1 24 LYS H . . 5.420 4.325 4.113 4.755 . 0 0 "[ . 1 . 2]" 1
170 1 20 LEU HA 1 49 CYS HB2 . . 5.500 5.184 4.777 5.504 0.004 16 0 "[ . 1 . 2]" 1
171 1 20 LEU HA 1 49 CYS HB3 . . 4.610 3.535 3.139 3.823 . 0 0 "[ . 1 . 2]" 1
172 1 20 LEU HA 1 52 GLN HB2 . . 3.490 2.677 2.459 2.966 . 0 0 "[ . 1 . 2]" 1
173 1 20 LEU HA 1 52 GLN HB3 . . 3.660 2.101 1.972 2.461 . 0 0 "[ . 1 . 2]" 1
174 1 20 LEU HA 1 53 ASP H . . 4.420 4.463 4.427 4.513 0.093 17 0 "[ . 1 . 2]" 1
175 1 20 LEU HA 1 53 ASP HA . . 5.260 4.536 4.302 4.727 . 0 0 "[ . 1 . 2]" 1
176 1 20 LEU HB2 1 21 THR H . . 4.760 3.981 3.898 4.129 . 0 0 "[ . 1 . 2]" 1
177 1 20 LEU HB2 1 52 GLN HB2 . . 5.500 3.069 2.806 3.226 . 0 0 "[ . 1 . 2]" 1
178 1 20 LEU HB2 1 52 GLN HB3 . . 4.970 2.199 1.985 2.575 . 0 0 "[ . 1 . 2]" 1
179 1 20 LEU HB2 1 53 ASP HA . . 5.070 3.011 2.406 3.571 . 0 0 "[ . 1 . 2]" 1
180 1 20 LEU HB2 1 56 CYS QB . . 5.080 3.164 2.887 3.526 . 0 0 "[ . 1 . 2]" 1
181 1 20 LEU HB3 1 21 THR H . . 3.730 2.657 2.573 2.835 . 0 0 "[ . 1 . 2]" 1
182 1 20 LEU HB3 1 52 GLN HB3 . . 5.100 3.478 3.314 3.714 . 0 0 "[ . 1 . 2]" 1
183 1 20 LEU HB3 1 53 ASP HA . . 5.500 4.072 3.582 4.505 . 0 0 "[ . 1 . 2]" 1
184 1 20 LEU HB3 1 56 CYS QB . . 4.850 2.878 2.563 3.457 . 0 0 "[ . 1 . 2]" 1
185 1 20 LEU QD 1 21 THR H . . 5.040 2.759 2.042 3.374 . 0 0 "[ . 1 . 2]" 1
186 1 20 LEU QD 1 23 CYS HB2 . . 3.970 3.835 3.564 3.944 . 0 0 "[ . 1 . 2]" 1
187 1 20 LEU QD 1 23 CYS HB3 . . 4.250 3.163 2.732 3.436 . 0 0 "[ . 1 . 2]" 1
188 1 20 LEU QD 1 24 LYS QD . . 3.440 2.172 1.843 2.655 . 0 0 "[ . 1 . 2]" 1
189 1 20 LEU QD 1 24 LYS QE . . 5.170 3.634 2.767 4.133 . 0 0 "[ . 1 . 2]" 1
190 1 20 LEU QD 1 24 LYS HG3 . . 4.360 3.282 2.144 3.847 . 0 0 "[ . 1 . 2]" 1
191 1 20 LEU QD 1 45 LYS HE2 . . 5.500 4.657 2.551 5.337 . 0 0 "[ . 1 . 2]" 1
192 1 20 LEU QD 1 45 LYS HE3 . . 5.500 4.564 2.472 5.339 . 0 0 "[ . 1 . 2]" 1
193 1 20 LEU QD 1 45 LYS HG2 . . 5.260 4.023 3.146 5.142 . 0 0 "[ . 1 . 2]" 1
194 1 20 LEU QD 1 45 LYS HG3 . . 5.370 3.699 2.862 4.614 . 0 0 "[ . 1 . 2]" 1
195 1 20 LEU QD 1 49 CYS HA . . 5.400 4.237 3.878 4.443 . 0 0 "[ . 1 . 2]" 1
196 1 20 LEU QD 1 49 CYS HB2 . . 4.030 3.578 3.266 3.803 . 0 0 "[ . 1 . 2]" 1
197 1 20 LEU QD 1 49 CYS HB3 . . 3.540 2.785 2.561 2.912 . 0 0 "[ . 1 . 2]" 1
198 1 20 LEU QD 1 52 GLN HB2 . . 4.250 2.864 2.319 3.365 . 0 0 "[ . 1 . 2]" 1
199 1 20 LEU QD 1 52 GLN HB3 . . 3.700 3.196 2.881 3.645 . 0 0 "[ . 1 . 2]" 1
200 1 20 LEU QD 1 53 ASP H . . 4.210 2.974 2.620 3.252 . 0 0 "[ . 1 . 2]" 1
201 1 20 LEU QD 1 53 ASP HA . . 3.240 1.847 1.734 1.956 . 0 0 "[ . 1 . 2]" 1
202 1 20 LEU QD 1 53 ASP HB2 . . 3.890 2.579 2.327 2.870 . 0 0 "[ . 1 . 2]" 1
203 1 20 LEU QD 1 53 ASP HB3 . . 4.680 3.671 3.371 3.965 . 0 0 "[ . 1 . 2]" 1
204 1 20 LEU QD 1 56 CYS H . . 5.430 3.789 3.423 4.158 . 0 0 "[ . 1 . 2]" 1
205 1 20 LEU QD 1 56 CYS QB . . 3.590 2.071 1.720 2.557 . 0 0 "[ . 1 . 2]" 1
206 1 20 LEU HG 1 21 THR H . . 4.860 3.514 2.442 4.822 . 0 0 "[ . 1 . 2]" 1
207 1 20 LEU HG 1 53 ASP HA . . 4.170 3.003 1.924 4.173 0.003 10 0 "[ . 1 . 2]" 1
208 1 21 THR H 1 21 THR HB . . 3.410 2.294 2.202 2.404 . 0 0 "[ . 1 . 2]" 1
209 1 21 THR H 1 21 THR MG . . 4.530 3.669 3.650 3.681 . 0 0 "[ . 1 . 2]" 1
210 1 21 THR H 1 22 ALA H . . 3.500 2.923 2.660 3.140 . 0 0 "[ . 1 . 2]" 1
211 1 21 THR H 1 22 ALA MB . . 5.150 4.382 4.178 4.553 . 0 0 "[ . 1 . 2]" 1
212 1 21 THR H 1 23 CYS H . . 4.470 4.072 3.861 4.270 . 0 0 "[ . 1 . 2]" 1
213 1 21 THR HA 1 21 THR MG . . 3.140 2.494 2.339 2.562 . 0 0 "[ . 1 . 2]" 1
214 1 21 THR HA 1 24 LYS H . . 4.600 3.312 3.107 3.564 . 0 0 "[ . 1 . 2]" 1
215 1 21 THR HA 1 24 LYS HB2 . . 3.790 2.697 2.375 3.107 . 0 0 "[ . 1 . 2]" 1
216 1 21 THR HA 1 24 LYS QD . . 3.990 3.211 2.461 3.746 . 0 0 "[ . 1 . 2]" 1
217 1 21 THR HB 1 22 ALA H . . 3.250 2.553 2.442 2.747 . 0 0 "[ . 1 . 2]" 1
218 1 21 THR MG 1 22 ALA H . . 4.220 3.243 2.829 3.476 . 0 0 "[ . 1 . 2]" 1
219 1 21 THR MG 1 22 ALA HA . . 3.650 3.500 3.223 3.659 0.009 6 0 "[ . 1 . 2]" 1
220 1 21 THR MG 1 25 GLU HG2 . . 4.170 3.929 3.657 4.181 0.011 10 0 "[ . 1 . 2]" 1
221 1 21 THR MG 1 25 GLU HG3 . . 4.550 3.286 2.979 3.897 . 0 0 "[ . 1 . 2]" 1
222 1 22 ALA H 1 22 ALA MB . . 2.900 2.027 1.937 2.142 . 0 0 "[ . 1 . 2]" 1
223 1 22 ALA H 1 23 CYS H . . 3.210 2.789 2.690 2.875 . 0 0 "[ . 1 . 2]" 1
224 1 22 ALA H 1 24 LYS H . . 5.500 4.565 4.240 4.845 . 0 0 "[ . 1 . 2]" 1
225 1 22 ALA HA 1 25 GLU H . . 3.820 3.460 3.203 3.662 . 0 0 "[ . 1 . 2]" 1
226 1 22 ALA HA 1 25 GLU HB2 . . 3.250 2.405 2.089 2.519 . 0 0 "[ . 1 . 2]" 1
227 1 22 ALA HA 1 25 GLU HB3 . . 3.750 3.261 2.951 3.717 . 0 0 "[ . 1 . 2]" 1
228 1 22 ALA HA 1 25 GLU HG2 . . 5.080 5.013 4.736 5.088 0.008 1 0 "[ . 1 . 2]" 1
229 1 22 ALA HA 1 25 GLU HG3 . . 4.620 4.015 3.776 4.148 . 0 0 "[ . 1 . 2]" 1
230 1 22 ALA MB 1 23 CYS H . . 3.350 2.770 2.479 2.981 . 0 0 "[ . 1 . 2]" 1
231 1 22 ALA MB 1 23 CYS HA . . 4.190 3.797 3.707 3.910 . 0 0 "[ . 1 . 2]" 1
232 1 22 ALA MB 1 23 CYS HB2 . . 5.500 4.137 3.954 4.426 . 0 0 "[ . 1 . 2]" 1
233 1 23 CYS H 1 23 CYS HB2 . . 3.080 2.217 2.119 2.849 . 0 0 "[ . 1 . 2]" 1
234 1 23 CYS H 1 23 CYS HB3 . . 3.230 2.799 2.157 2.961 . 0 0 "[ . 1 . 2]" 1
235 1 23 CYS H 1 24 LYS H . . 3.480 2.782 2.570 3.061 . 0 0 "[ . 1 . 2]" 1
236 1 23 CYS HA 1 26 LYS HB2 . . 3.450 3.508 3.422 3.567 0.117 4 0 "[ . 1 . 2]" 1
237 1 23 CYS HA 1 26 LYS HB3 . . 3.550 3.432 3.303 3.555 0.005 13 0 "[ . 1 . 2]" 1
238 1 23 CYS HA 1 26 LYS QD . . 4.530 4.418 4.158 4.546 0.016 17 0 "[ . 1 . 2]" 1
239 1 23 CYS HB2 1 24 LYS H . . 4.570 3.474 3.348 3.804 . 0 0 "[ . 1 . 2]" 1
240 1 23 CYS HB2 1 52 GLN HE21 . . 5.500 4.904 4.454 5.239 . 0 0 "[ . 1 . 2]" 1
241 1 23 CYS HB2 1 52 GLN HG2 . . 5.500 5.249 4.907 5.519 0.019 15 0 "[ . 1 . 2]" 1
242 1 23 CYS HB2 1 52 GLN HG3 . . 5.400 5.133 4.958 5.405 0.005 12 0 "[ . 1 . 2]" 1
243 1 23 CYS HB3 1 24 LYS H . . 3.900 2.355 2.131 2.624 . 0 0 "[ . 1 . 2]" 1
244 1 23 CYS HB3 1 52 GLN HB2 . . 5.500 4.271 3.991 4.700 . 0 0 "[ . 1 . 2]" 1
245 1 24 LYS H 1 24 LYS HB2 . . 3.270 2.123 2.004 2.284 . 0 0 "[ . 1 . 2]" 1
246 1 24 LYS H 1 24 LYS HB3 . . 3.580 3.397 3.228 3.508 . 0 0 "[ . 1 . 2]" 1
247 1 24 LYS H 1 24 LYS QD . . 4.460 3.445 2.890 4.002 . 0 0 "[ . 1 . 2]" 1
248 1 24 LYS H 1 24 LYS HG2 . . 4.420 4.131 3.536 4.419 . 0 0 "[ . 1 . 2]" 1
249 1 24 LYS H 1 24 LYS HG3 . . 3.680 3.032 2.444 3.516 . 0 0 "[ . 1 . 2]" 1
250 1 24 LYS H 1 25 GLU H . . 3.550 2.818 2.696 3.001 . 0 0 "[ . 1 . 2]" 1
251 1 24 LYS H 1 26 LYS H . . 5.500 4.769 4.619 4.914 . 0 0 "[ . 1 . 2]" 1
252 1 24 LYS HA 1 24 LYS QD . . 4.270 3.853 3.611 4.073 . 0 0 "[ . 1 . 2]" 1
253 1 24 LYS HA 1 24 LYS HG2 . . 3.230 2.687 2.268 3.002 . 0 0 "[ . 1 . 2]" 1
254 1 24 LYS HA 1 24 LYS HG3 . . 3.220 2.279 2.021 2.889 . 0 0 "[ . 1 . 2]" 1
255 1 24 LYS HA 1 27 CYS H . . 3.870 3.617 3.537 3.749 . 0 0 "[ . 1 . 2]" 1
256 1 24 LYS HA 1 27 CYS HB2 . . 3.300 2.666 2.464 2.835 . 0 0 "[ . 1 . 2]" 1
257 1 24 LYS HA 1 27 CYS HB3 . . 4.310 4.172 3.858 4.309 . 0 0 "[ . 1 . 2]" 1
258 1 24 LYS HA 1 28 ALA H . . 4.150 3.873 3.751 4.085 . 0 0 "[ . 1 . 2]" 1
259 1 24 LYS HB2 1 25 GLU H . . 3.380 2.905 2.594 3.224 . 0 0 "[ . 1 . 2]" 1
260 1 24 LYS HB3 1 24 LYS QE . . 3.760 3.068 2.409 3.726 . 0 0 "[ . 1 . 2]" 1
261 1 24 LYS HB3 1 25 GLU H . . 4.170 3.177 2.866 3.412 . 0 0 "[ . 1 . 2]" 1
262 1 25 GLU H 1 25 GLU HB2 . . 3.220 2.023 2.020 2.042 . 0 0 "[ . 1 . 2]" 1
263 1 25 GLU H 1 25 GLU HB3 . . 3.520 3.255 3.242 3.322 . 0 0 "[ . 1 . 2]" 1
264 1 25 GLU H 1 25 GLU HG2 . . 3.710 3.542 3.313 3.583 . 0 0 "[ . 1 . 2]" 1
265 1 25 GLU H 1 25 GLU HG3 . . 3.890 3.903 3.898 3.911 0.021 10 0 "[ . 1 . 2]" 1
266 1 25 GLU H 1 26 LYS H . . 3.110 3.071 3.034 3.100 . 0 0 "[ . 1 . 2]" 1
267 1 25 GLU H 1 27 CYS H . . 4.390 4.087 3.968 4.393 0.003 13 0 "[ . 1 . 2]" 1
268 1 25 GLU HA 1 25 GLU HB2 . . 3.000 2.869 2.854 2.906 . 0 0 "[ . 1 . 2]" 1
269 1 25 GLU HA 1 25 GLU HG2 . . 3.480 2.061 2.039 2.204 . 0 0 "[ . 1 . 2]" 1
270 1 25 GLU HA 1 28 ALA H . . 3.680 3.257 3.117 3.432 . 0 0 "[ . 1 . 2]" 1
271 1 25 GLU HA 1 28 ALA MB . . 3.090 2.223 1.993 2.522 . 0 0 "[ . 1 . 2]" 1
272 1 25 GLU HB2 1 26 LYS H . . 3.320 2.880 2.759 2.951 . 0 0 "[ . 1 . 2]" 1
273 1 25 GLU HB3 1 25 GLU HG3 . . 2.720 2.724 2.645 2.737 0.017 4 0 "[ . 1 . 2]" 1
274 1 25 GLU HB3 1 26 LYS H . . 4.110 2.332 2.293 2.385 . 0 0 "[ . 1 . 2]" 1
275 1 25 GLU HB3 1 26 LYS HA . . 3.460 3.681 3.676 3.691 0.231 10 0 "[ . 1 . 2]" 1
276 1 26 LYS H 1 26 LYS HB2 . . 3.160 2.095 2.063 2.134 . 0 0 "[ . 1 . 2]" 1
277 1 26 LYS H 1 26 LYS HB3 . . 3.160 2.974 2.902 3.037 . 0 0 "[ . 1 . 2]" 1
278 1 26 LYS H 1 26 LYS HG2 . . 4.850 4.437 4.032 4.631 . 0 0 "[ . 1 . 2]" 1
279 1 26 LYS H 1 26 LYS HG3 . . 4.130 4.102 3.960 4.249 0.119 11 0 "[ . 1 . 2]" 1
280 1 26 LYS H 1 27 CYS H . . 3.410 2.972 2.938 3.075 . 0 0 "[ . 1 . 2]" 1
281 1 26 LYS HA 1 26 LYS QD . . 3.490 3.391 3.075 3.504 0.014 17 0 "[ . 1 . 2]" 1
282 1 26 LYS HA 1 26 LYS HG2 . . 3.530 2.846 2.021 3.383 . 0 0 "[ . 1 . 2]" 1
283 1 26 LYS HA 1 26 LYS HG3 . . 3.920 2.454 2.015 3.247 . 0 0 "[ . 1 . 2]" 1
284 1 26 LYS HA 1 29 GLU H . . 3.880 3.662 3.482 3.793 . 0 0 "[ . 1 . 2]" 1
285 1 26 LYS HA 1 29 GLU HB2 . . 3.540 2.781 2.576 3.013 . 0 0 "[ . 1 . 2]" 1
286 1 26 LYS HA 1 29 GLU HG3 . . 4.020 3.833 3.641 4.025 0.005 13 0 "[ . 1 . 2]" 1
287 1 26 LYS HA 1 30 SER H . . 4.390 4.216 3.914 4.404 0.014 17 0 "[ . 1 . 2]" 1
288 1 26 LYS HB2 1 27 CYS H . . 4.000 3.661 3.478 3.774 . 0 0 "[ . 1 . 2]" 1
289 1 26 LYS HB3 1 26 LYS QD . . 3.620 2.606 2.019 3.057 . 0 0 "[ . 1 . 2]" 1
290 1 26 LYS HB3 1 27 CYS H . . 3.780 2.774 2.503 2.928 . 0 0 "[ . 1 . 2]" 1
291 1 26 LYS QD 1 26 LYS HG3 . . 2.560 2.355 2.183 2.531 . 0 0 "[ . 1 . 2]" 1
292 1 27 CYS H 1 27 CYS HB2 . . 3.300 2.390 2.147 2.654 . 0 0 "[ . 1 . 2]" 1
293 1 27 CYS H 1 27 CYS HB3 . . 3.780 3.533 3.444 3.569 . 0 0 "[ . 1 . 2]" 1
294 1 27 CYS H 1 28 ALA H . . 2.840 2.723 2.612 2.825 . 0 0 "[ . 1 . 2]" 1
295 1 27 CYS H 1 28 ALA MB . . 5.090 4.127 4.005 4.283 . 0 0 "[ . 1 . 2]" 1
296 1 27 CYS H 1 29 GLU H . . 4.570 4.136 3.946 4.438 . 0 0 "[ . 1 . 2]" 1
297 1 27 CYS HA 1 30 SER H . . 4.180 3.310 3.088 3.530 . 0 0 "[ . 1 . 2]" 1
298 1 27 CYS HA 1 30 SER HB2 . . 3.700 2.915 2.644 3.252 . 0 0 "[ . 1 . 2]" 1
299 1 27 CYS HA 1 30 SER HB3 . . 3.930 3.429 3.136 3.987 0.057 13 0 "[ . 1 . 2]" 1
300 1 27 CYS HB2 1 28 ALA H . . 3.720 2.414 2.130 2.627 . 0 0 "[ . 1 . 2]" 1
301 1 27 CYS HB2 1 44 CYS HB3 . . 4.760 3.390 3.074 3.615 . 0 0 "[ . 1 . 2]" 1
302 1 27 CYS HB3 1 28 ALA H . . 4.010 3.346 2.989 3.619 . 0 0 "[ . 1 . 2]" 1
303 1 27 CYS HB3 1 44 CYS H . . 5.500 4.582 4.021 5.017 . 0 0 "[ . 1 . 2]" 1
304 1 27 CYS HB3 1 44 CYS HB2 . . 4.110 2.759 2.056 3.546 . 0 0 "[ . 1 . 2]" 1
305 1 27 CYS HB3 1 44 CYS HB3 . . 3.720 2.820 2.084 3.751 0.031 12 0 "[ . 1 . 2]" 1
306 1 28 ALA H 1 28 ALA MB . . 3.010 2.035 1.946 2.179 . 0 0 "[ . 1 . 2]" 1
307 1 28 ALA H 1 29 GLU H . . 3.340 2.989 2.787 3.091 . 0 0 "[ . 1 . 2]" 1
308 1 28 ALA H 1 30 SER H . . 4.600 4.470 4.142 4.603 0.003 2 0 "[ . 1 . 2]" 1
309 1 28 ALA HA 1 31 CYS H . . 4.640 3.426 3.257 3.769 . 0 0 "[ . 1 . 2]" 1
310 1 28 ALA HA 1 31 CYS HB2 . . 3.980 2.736 2.430 3.381 . 0 0 "[ . 1 . 2]" 1
311 1 28 ALA HA 1 31 CYS HB3 . . 4.200 4.121 3.892 4.205 0.005 10 0 "[ . 1 . 2]" 1
312 1 28 ALA HA 1 41 ARG QD . . 3.860 2.601 1.985 3.760 . 0 0 "[ . 1 . 2]" 1
313 1 28 ALA HA 1 41 ARG HG2 . . 3.650 2.652 1.999 3.239 . 0 0 "[ . 1 . 2]" 1
314 1 28 ALA HA 1 41 ARG HG3 . . 4.160 3.134 2.201 3.651 . 0 0 "[ . 1 . 2]" 1
315 1 28 ALA MB 1 29 GLU H . . 3.320 2.548 2.309 2.732 . 0 0 "[ . 1 . 2]" 1
316 1 28 ALA MB 1 29 GLU HG3 . . 5.140 4.905 4.204 5.141 0.001 18 0 "[ . 1 . 2]" 1
317 1 28 ALA MB 1 41 ARG QD . . 3.560 2.271 1.941 2.968 . 0 0 "[ . 1 . 2]" 1
318 1 28 ALA MB 1 41 ARG HG2 . . 4.530 3.313 2.117 3.970 . 0 0 "[ . 1 . 2]" 1
319 1 29 GLU H 1 29 GLU HB2 . . 3.050 2.235 2.183 2.313 . 0 0 "[ . 1 . 2]" 1
320 1 29 GLU H 1 29 GLU HG2 . . 3.350 2.626 2.480 2.734 . 0 0 "[ . 1 . 2]" 1
321 1 29 GLU H 1 29 GLU HG3 . . 3.830 3.672 3.109 3.839 0.009 12 0 "[ . 1 . 2]" 1
322 1 29 GLU H 1 30 SER H . . 3.370 2.843 2.652 2.974 . 0 0 "[ . 1 . 2]" 1
323 1 29 GLU H 1 31 CYS H . . 5.500 3.833 3.691 4.072 . 0 0 "[ . 1 . 2]" 1
324 1 29 GLU HA 1 29 GLU HB2 . . 2.970 3.016 3.004 3.032 0.062 9 0 "[ . 1 . 2]" 1
325 1 29 GLU HA 1 29 GLU HB3 . . 3.000 2.673 2.628 2.701 . 0 0 "[ . 1 . 2]" 1
326 1 29 GLU HA 1 29 GLU HG2 . . 3.320 2.631 2.268 2.756 . 0 0 "[ . 1 . 2]" 1
327 1 29 GLU HA 1 32 GLU H . . 4.600 4.509 4.062 4.605 0.005 17 0 "[ . 1 . 2]" 1
328 1 29 GLU HA 1 32 GLU QG . . 4.010 2.508 2.108 3.887 . 0 0 "[ . 1 . 2]" 1
329 1 29 GLU HB2 1 29 GLU HG3 . . 2.710 2.407 2.270 2.473 . 0 0 "[ . 1 . 2]" 1
330 1 29 GLU HB2 1 30 SER H . . 3.440 2.619 2.416 2.846 . 0 0 "[ . 1 . 2]" 1
331 1 29 GLU HB3 1 30 SER H . . 3.700 3.211 3.026 3.594 . 0 0 "[ . 1 . 2]" 1
332 1 29 GLU HB3 1 30 SER HA . . 4.500 4.031 3.934 4.273 . 0 0 "[ . 1 . 2]" 1
333 1 29 GLU HG2 1 30 SER H . . 4.670 4.668 4.634 4.682 0.012 19 0 "[ . 1 . 2]" 1
334 1 29 GLU HG3 1 30 SER H . . 5.500 4.946 4.632 5.093 . 0 0 "[ . 1 . 2]" 1
335 1 30 SER H 1 30 SER HB2 . . 3.250 2.117 2.017 3.197 . 0 0 "[ . 1 . 2]" 1
336 1 30 SER H 1 30 SER HB3 . . 3.250 3.122 2.995 3.303 0.053 13 0 "[ . 1 . 2]" 1
337 1 30 SER H 1 31 CYS H . . 3.580 2.669 2.536 2.815 . 0 0 "[ . 1 . 2]" 1
338 1 30 SER H 1 32 GLU H . . 5.230 4.899 4.656 5.232 0.002 4 0 "[ . 1 . 2]" 1
339 1 30 SER HA 1 30 SER HB2 . . 2.980 2.819 2.745 2.923 . 0 0 "[ . 1 . 2]" 1
340 1 30 SER HA 1 30 SER HB3 . . 3.000 2.904 2.267 2.985 . 0 0 "[ . 1 . 2]" 1
341 1 30 SER HB2 1 31 CYS H . . 4.720 3.700 3.283 4.322 . 0 0 "[ . 1 . 2]" 1
342 1 30 SER HB3 1 31 CYS H . . 5.020 3.483 3.066 4.372 . 0 0 "[ . 1 . 2]" 1
343 1 31 CYS H 1 31 CYS HB2 . . 3.390 2.535 2.248 2.976 . 0 0 "[ . 1 . 2]" 1
344 1 31 CYS H 1 31 CYS HB3 . . 3.970 3.663 3.469 3.936 . 0 0 "[ . 1 . 2]" 1
345 1 31 CYS H 1 32 GLU H . . 3.530 3.068 2.045 3.358 . 0 0 "[ . 1 . 2]" 1
346 1 31 CYS HA 1 34 SER H . . 4.170 3.716 3.166 4.172 0.002 2 0 "[ . 1 . 2]" 1
347 1 31 CYS HA 1 34 SER HB2 . . 3.860 2.685 2.355 4.145 0.285 16 0 "[ . 1 . 2]" 1
348 1 31 CYS HA 1 34 SER HB3 . . 4.260 3.849 2.422 4.259 . 0 0 "[ . 1 . 2]" 1
349 1 31 CYS HB2 1 41 ARG HG2 . . 4.780 3.454 2.255 4.339 . 0 0 "[ . 1 . 2]" 1
350 1 31 CYS HB2 1 41 ARG HG3 . . 4.090 3.247 2.293 4.016 . 0 0 "[ . 1 . 2]" 1
351 1 31 CYS HB3 1 41 ARG HG2 . . 4.950 4.439 3.355 4.952 0.002 9 0 "[ . 1 . 2]" 1
352 1 31 CYS HB3 1 41 ARG HG3 . . 4.570 3.655 2.938 4.543 . 0 0 "[ . 1 . 2]" 1
353 1 32 GLU H 1 32 GLU HB2 . . 3.570 2.193 2.040 3.563 . 0 0 "[ . 1 . 2]" 1
354 1 32 GLU H 1 32 GLU HB3 . . 3.230 3.276 3.034 3.564 0.334 14 0 "[ . 1 . 2]" 1
355 1 32 GLU H 1 32 GLU QG . . 3.710 3.296 1.845 3.507 . 0 0 "[ . 1 . 2]" 1
356 1 32 GLU HA 1 32 GLU HB2 . . 2.890 2.901 2.606 3.025 0.135 14 0 "[ . 1 . 2]" 1
357 1 32 GLU HA 1 32 GLU HB3 . . 2.910 2.812 2.354 2.882 . 0 0 "[ . 1 . 2]" 1
358 1 32 GLU HA 1 32 GLU QG . . 3.670 2.200 2.025 3.298 . 0 0 "[ . 1 . 2]" 1
359 1 32 GLU HA 1 37 LYS QD . . 4.480 3.749 1.982 4.482 0.002 10 0 "[ . 1 . 2]" 1
360 1 32 GLU HA 1 37 LYS QE . . 3.520 2.996 2.088 3.516 . 0 0 "[ . 1 . 2]" 1
361 1 32 GLU HA 1 37 LYS HG3 . . 4.960 4.419 3.655 5.757 0.797 13 1 "[ . 1 + . 2]" 1
362 1 32 GLU HB2 1 33 THR MG . . 4.480 3.731 2.859 4.536 0.056 14 0 "[ . 1 . 2]" 1
363 1 32 GLU HB3 1 33 THR MG . . 4.520 2.972 2.012 4.424 . 0 0 "[ . 1 . 2]" 1
364 1 33 THR HA 1 33 THR HB . . 3.030 2.515 2.398 2.747 . 0 0 "[ . 1 . 2]" 1
365 1 33 THR HA 1 33 THR MG . . 3.020 2.669 2.194 3.223 0.203 6 0 "[ . 1 . 2]" 1
366 1 33 THR HA 1 34 SER H . . 3.520 3.097 2.498 3.632 0.112 3 0 "[ . 1 . 2]" 1
367 1 33 THR HB 1 34 SER H . . 4.760 4.341 3.613 4.710 . 0 0 "[ . 1 . 2]" 1
368 1 34 SER H 1 34 SER HB2 . . 3.390 2.347 2.029 3.579 0.189 7 0 "[ . 1 . 2]" 1
369 1 34 SER H 1 34 SER HB3 . . 3.790 3.223 2.572 3.685 . 0 0 "[ . 1 . 2]" 1
370 1 34 SER HB2 1 37 LYS HA . . 3.750 3.566 2.622 3.750 . 0 0 "[ . 1 . 2]" 1
371 1 34 SER HB2 1 40 CYS HB2 . . 5.380 3.892 2.280 4.779 . 0 0 "[ . 1 . 2]" 1
372 1 34 SER HB2 1 40 CYS HB3 . . 5.390 4.046 3.121 4.912 . 0 0 "[ . 1 . 2]" 1
373 1 34 SER HB3 1 37 LYS HA . . 3.510 3.202 2.056 3.743 0.233 16 0 "[ . 1 . 2]" 1
374 1 34 SER HB3 1 37 LYS HG3 . . 4.620 4.054 2.787 5.211 0.591 9 1 "[ . +1 . 2]" 1
375 1 34 SER HB3 1 40 CYS HB2 . . 4.880 3.192 2.547 4.399 . 0 0 "[ . 1 . 2]" 1
376 1 34 SER HB3 1 40 CYS HB3 . . 4.950 3.770 3.174 4.550 . 0 0 "[ . 1 . 2]" 1
377 1 35 ALA H 1 36 ASP H . . 5.350 3.193 2.373 4.472 . 0 0 "[ . 1 . 2]" 1
378 1 35 ALA MB 1 36 ASP H . . 5.220 2.363 1.986 3.427 . 0 0 "[ . 1 . 2]" 1
379 1 35 ALA MB 1 36 ASP HA . . 5.220 3.973 3.721 4.758 . 0 0 "[ . 1 . 2]" 1
380 1 36 ASP HB2 1 39 THR HA . . 5.500 5.195 4.866 5.356 . 0 0 "[ . 1 . 2]" 1
381 1 36 ASP HB2 1 39 THR HB . . 4.380 2.258 2.060 2.773 . 0 0 "[ . 1 . 2]" 1
382 1 36 ASP HB3 1 39 THR HA . . 5.500 4.782 4.328 5.050 . 0 0 "[ . 1 . 2]" 1
383 1 36 ASP HB3 1 39 THR HB . . 4.090 2.401 2.036 3.467 . 0 0 "[ . 1 . 2]" 1
384 1 36 ASP HB3 1 39 THR MG . . 4.930 3.660 3.250 4.212 . 0 0 "[ . 1 . 2]" 1
385 1 37 LYS HA 1 37 LYS HG3 . . 3.560 2.666 2.227 3.883 0.323 9 0 "[ . 1 . 2]" 1
386 1 37 LYS HA 1 40 CYS H . . 3.700 3.541 3.354 3.701 0.001 12 0 "[ . 1 . 2]" 1
387 1 37 LYS HA 1 40 CYS HB2 . . 3.700 3.203 2.824 3.691 . 0 0 "[ . 1 . 2]" 1
388 1 37 LYS HA 1 40 CYS HB3 . . 3.440 2.560 2.134 2.949 . 0 0 "[ . 1 . 2]" 1
389 1 37 LYS HA 1 41 ARG H . . 4.370 3.611 3.291 4.055 . 0 0 "[ . 1 . 2]" 1
390 1 37 LYS HA 1 41 ARG HG3 . . 5.130 4.021 3.481 4.714 . 0 0 "[ . 1 . 2]" 1
391 1 37 LYS HB2 1 37 LYS QE . . 3.370 3.032 2.278 4.065 0.695 3 1 "[ + . 1 . 2]" 1
392 1 37 LYS HB2 1 38 LYS H . . 4.400 3.065 2.429 3.871 . 0 0 "[ . 1 . 2]" 1
393 1 37 LYS HB3 1 37 LYS QE . . 4.120 3.075 2.218 3.906 . 0 0 "[ . 1 . 2]" 1
394 1 37 LYS QD 1 37 LYS HG2 . . 2.790 2.345 2.179 2.572 . 0 0 "[ . 1 . 2]" 1
395 1 37 LYS QE 1 37 LYS HG2 . . 3.630 2.715 2.092 3.482 . 0 0 "[ . 1 . 2]" 1
396 1 38 LYS H 1 38 LYS QB . . 3.380 2.030 1.992 2.129 . 0 0 "[ . 1 . 2]" 1
397 1 38 LYS H 1 38 LYS QD . . 4.520 3.260 2.348 4.408 . 0 0 "[ . 1 . 2]" 1
398 1 38 LYS H 1 38 LYS HG3 . . 5.500 4.077 3.420 4.420 . 0 0 "[ . 1 . 2]" 1
399 1 38 LYS H 1 39 THR H . . 4.380 3.090 2.871 3.238 . 0 0 "[ . 1 . 2]" 1
400 1 38 LYS HA 1 38 LYS QB . . 2.630 2.519 2.428 2.548 . 0 0 "[ . 1 . 2]" 1
401 1 38 LYS HA 1 38 LYS QD . . 4.700 2.872 2.105 3.941 . 0 0 "[ . 1 . 2]" 1
402 1 38 LYS HA 1 38 LYS QE . . 5.000 3.887 2.076 4.725 . 0 0 "[ . 1 . 2]" 1
403 1 38 LYS HA 1 38 LYS HG2 . . 3.600 3.337 2.286 3.581 . 0 0 "[ . 1 . 2]" 1
404 1 38 LYS HA 1 38 LYS HG3 . . 3.620 2.214 1.999 2.602 . 0 0 "[ . 1 . 2]" 1
405 1 38 LYS HA 1 41 ARG H . . 5.160 3.860 3.377 4.146 . 0 0 "[ . 1 . 2]" 1
406 1 38 LYS HA 1 41 ARG QB . . 5.230 2.846 2.281 3.226 . 0 0 "[ . 1 . 2]" 1
407 1 38 LYS HA 1 42 ARG QD . . 4.490 3.510 2.962 4.495 0.005 9 0 "[ . 1 . 2]" 1
408 1 38 LYS HG2 1 39 THR H . . 5.500 4.603 3.964 4.905 . 0 0 "[ . 1 . 2]" 1
409 1 38 LYS HG2 1 42 ARG QD . . 3.420 3.341 2.146 4.333 0.913 3 5 "[* + . * 1- *. 2]" 1
410 1 39 THR H 1 39 THR HB . . 3.090 2.566 2.378 2.701 . 0 0 "[ . 1 . 2]" 1
411 1 39 THR H 1 39 THR MG . . 4.170 3.641 3.596 3.692 . 0 0 "[ . 1 . 2]" 1
412 1 39 THR H 1 40 CYS H . . 3.570 2.935 2.695 3.136 . 0 0 "[ . 1 . 2]" 1
413 1 39 THR H 1 41 ARG H . . 5.170 4.589 4.247 4.833 . 0 0 "[ . 1 . 2]" 1
414 1 39 THR HA 1 39 THR MG . . 3.020 2.359 2.175 2.480 . 0 0 "[ . 1 . 2]" 1
415 1 39 THR HA 1 42 ARG H . . 4.220 3.424 3.293 3.683 . 0 0 "[ . 1 . 2]" 1
416 1 39 THR HA 1 42 ARG QB . . 3.440 2.206 1.975 2.710 . 0 0 "[ . 1 . 2]" 1
417 1 39 THR HA 1 42 ARG QD . . 4.940 3.046 2.123 4.158 . 0 0 "[ . 1 . 2]" 1
418 1 39 THR HA 1 42 ARG HG2 . . 5.450 4.306 3.689 5.174 . 0 0 "[ . 1 . 2]" 1
419 1 39 THR HA 1 43 ASN H . . 5.330 3.744 3.250 3.945 . 0 0 "[ . 1 . 2]" 1
420 1 39 THR HB 1 40 CYS H . . 3.400 2.402 2.244 2.570 . 0 0 "[ . 1 . 2]" 1
421 1 39 THR HB 1 40 CYS HA . . 4.170 4.155 4.082 4.294 0.124 15 0 "[ . 1 . 2]" 1
422 1 39 THR HB 1 42 ARG QB . . 5.410 4.874 4.631 5.348 . 0 0 "[ . 1 . 2]" 1
423 1 39 THR MG 1 40 CYS H . . 4.510 3.560 3.266 3.804 . 0 0 "[ . 1 . 2]" 1
424 1 39 THR MG 1 40 CYS HA . . 4.330 3.863 3.565 4.095 . 0 0 "[ . 1 . 2]" 1
425 1 39 THR MG 1 42 ARG QB . . 4.630 3.509 3.283 4.042 . 0 0 "[ . 1 . 2]" 1
426 1 39 THR MG 1 42 ARG QD . . 5.380 4.557 3.709 5.310 . 0 0 "[ . 1 . 2]" 1
427 1 39 THR MG 1 43 ASN H . . 5.500 3.813 3.495 4.228 . 0 0 "[ . 1 . 2]" 1
428 1 39 THR MG 1 43 ASN HD21 . . 4.140 2.925 1.993 3.950 . 0 0 "[ . 1 . 2]" 1
429 1 39 THR MG 1 43 ASN HD22 . . 4.950 3.600 1.890 4.888 . 0 0 "[ . 1 . 2]" 1
430 1 40 CYS H 1 40 CYS HB2 . . 3.200 2.336 2.139 2.788 . 0 0 "[ . 1 . 2]" 1
431 1 40 CYS H 1 40 CYS HB3 . . 3.220 2.659 2.201 2.938 . 0 0 "[ . 1 . 2]" 1
432 1 40 CYS H 1 41 ARG H . . 3.700 3.044 2.712 3.156 . 0 0 "[ . 1 . 2]" 1
433 1 40 CYS HA 1 43 ASN H . . 4.530 3.641 3.121 4.133 . 0 0 "[ . 1 . 2]" 1
434 1 40 CYS HA 1 43 ASN HB2 . . 4.300 2.958 2.162 4.024 . 0 0 "[ . 1 . 2]" 1
435 1 40 CYS HA 1 43 ASN HB3 . . 3.890 3.921 2.875 4.311 0.421 10 0 "[ . 1 . 2]" 1
436 1 40 CYS HA 1 44 CYS H . . 5.400 4.270 3.880 4.792 . 0 0 "[ . 1 . 2]" 1
437 1 40 CYS HB2 1 41 ARG H . . 3.880 3.624 3.503 3.882 0.002 13 0 "[ . 1 . 2]" 1
438 1 40 CYS HB3 1 41 ARG H . . 3.580 2.258 2.090 2.488 . 0 0 "[ . 1 . 2]" 1
439 1 41 ARG H 1 41 ARG QB . . 3.520 2.310 2.110 2.538 . 0 0 "[ . 1 . 2]" 1
440 1 41 ARG H 1 41 ARG HG2 . . 4.360 3.399 2.807 3.994 . 0 0 "[ . 1 . 2]" 1
441 1 41 ARG H 1 41 ARG HG3 . . 2.990 2.482 1.943 2.922 . 0 0 "[ . 1 . 2]" 1
442 1 41 ARG H 1 42 ARG H . . 3.590 2.893 2.760 3.094 . 0 0 "[ . 1 . 2]" 1
443 1 41 ARG H 1 43 ASN H . . 4.940 4.428 4.009 4.749 . 0 0 "[ . 1 . 2]" 1
444 1 41 ARG HA 1 41 ARG HG2 . . 3.420 2.351 2.094 2.561 . 0 0 "[ . 1 . 2]" 1
445 1 41 ARG HA 1 41 ARG HG3 . . 2.970 2.963 2.488 3.418 0.448 5 0 "[ . 1 . 2]" 1
446 1 41 ARG HA 1 44 CYS H . . 4.270 3.329 3.028 3.754 . 0 0 "[ . 1 . 2]" 1
447 1 41 ARG HA 1 44 CYS HB2 . . 3.710 2.885 2.435 3.358 . 0 0 "[ . 1 . 2]" 1
448 1 41 ARG HA 1 44 CYS HB3 . . 3.900 2.786 2.145 3.885 . 0 0 "[ . 1 . 2]" 1
449 1 41 ARG QB 1 41 ARG QD . . 3.210 2.212 1.945 2.433 . 0 0 "[ . 1 . 2]" 1
450 1 41 ARG QB 1 42 ARG H . . 3.670 2.483 2.247 2.874 . 0 0 "[ . 1 . 2]" 1
451 1 42 ARG H 1 42 ARG QB . . 2.820 2.133 2.016 2.629 . 0 0 "[ . 1 . 2]" 1
452 1 42 ARG H 1 42 ARG QD . . 4.320 2.911 2.123 4.191 . 0 0 "[ . 1 . 2]" 1
453 1 42 ARG H 1 42 ARG HG3 . . 4.510 3.513 2.221 4.139 . 0 0 "[ . 1 . 2]" 1
454 1 42 ARG H 1 43 ASN H . . 3.530 2.888 2.545 3.138 . 0 0 "[ . 1 . 2]" 1
455 1 42 ARG H 1 44 CYS H . . 5.500 3.999 3.617 4.238 . 0 0 "[ . 1 . 2]" 1
456 1 42 ARG HA 1 42 ARG QB . . 2.660 2.546 2.380 2.577 . 0 0 "[ . 1 . 2]" 1
457 1 42 ARG HA 1 42 ARG HG2 . . 4.010 3.236 2.461 3.533 . 0 0 "[ . 1 . 2]" 1
458 1 42 ARG HA 1 42 ARG HG3 . . 3.670 2.240 1.992 3.725 0.055 2 0 "[ . 1 . 2]" 1
459 1 42 ARG HA 1 45 LYS H . . 3.980 3.412 3.040 3.807 . 0 0 "[ . 1 . 2]" 1
460 1 42 ARG HA 1 45 LYS HB2 . . 4.410 2.969 2.203 4.002 . 0 0 "[ . 1 . 2]" 1
461 1 42 ARG QB 1 42 ARG QD . . 2.640 2.127 1.950 2.490 . 0 0 "[ . 1 . 2]" 1
462 1 42 ARG QB 1 42 ARG HG3 . . 2.700 2.509 2.186 2.568 . 0 0 "[ . 1 . 2]" 1
463 1 42 ARG QB 1 43 ASN H . . 3.100 2.514 2.315 2.852 . 0 0 "[ . 1 . 2]" 1
464 1 42 ARG QB 1 44 CYS H . . 4.680 4.438 4.099 4.623 . 0 0 "[ . 1 . 2]" 1
465 1 42 ARG HG2 1 43 ASN H . . 5.060 4.947 4.365 5.305 0.245 12 0 "[ . 1 . 2]" 1
466 1 43 ASN H 1 43 ASN HB2 . . 3.510 2.116 2.039 2.686 . 0 0 "[ . 1 . 2]" 1
467 1 43 ASN H 1 43 ASN HB3 . . 3.020 3.230 2.854 3.541 0.521 7 1 "[ . + 1 . 2]" 1
468 1 43 ASN H 1 43 ASN HD22 . . 5.500 4.811 3.873 5.500 . 0 0 "[ . 1 . 2]" 1
469 1 43 ASN H 1 44 CYS H . . 3.000 2.665 2.477 2.866 . 0 0 "[ . 1 . 2]" 1
470 1 43 ASN H 1 45 LYS H . . 5.260 4.033 3.781 4.512 . 0 0 "[ . 1 . 2]" 1
471 1 43 ASN HA 1 46 LYS H . . 4.740 3.271 2.913 3.460 . 0 0 "[ . 1 . 2]" 1
472 1 43 ASN HA 1 46 LYS QB . . 3.450 3.017 2.449 3.425 . 0 0 "[ . 1 . 2]" 1
473 1 43 ASN HA 1 46 LYS QG . . 4.600 4.214 3.677 4.626 0.026 10 0 "[ . 1 . 2]" 1
474 1 43 ASN HB2 1 43 ASN HD22 . . 3.970 3.486 3.445 3.613 . 0 0 "[ . 1 . 2]" 1
475 1 43 ASN HB2 1 44 CYS H . . 3.820 3.204 2.446 3.743 . 0 0 "[ . 1 . 2]" 1
476 1 43 ASN HB3 1 43 ASN HD22 . . 3.920 3.926 3.647 4.135 0.215 4 0 "[ . 1 . 2]" 1
477 1 43 ASN HB3 1 44 CYS H . . 3.530 3.141 2.530 3.723 0.193 7 0 "[ . 1 . 2]" 1
478 1 43 ASN HB3 1 44 CYS HA . . 4.840 3.887 3.759 4.493 . 0 0 "[ . 1 . 2]" 1
479 1 44 CYS H 1 44 CYS HB2 . . 3.240 2.345 2.259 2.455 . 0 0 "[ . 1 . 2]" 1
480 1 44 CYS H 1 44 CYS HB3 . . 3.260 2.638 2.495 2.747 . 0 0 "[ . 1 . 2]" 1
481 1 44 CYS H 1 45 LYS H . . 3.740 2.608 2.327 2.925 . 0 0 "[ . 1 . 2]" 1
482 1 44 CYS HA 1 47 ALA H . . 4.170 2.968 2.694 3.459 . 0 0 "[ . 1 . 2]" 1
483 1 44 CYS HA 1 47 ALA MB . . 3.520 1.933 1.763 2.305 . 0 0 "[ . 1 . 2]" 1
484 1 44 CYS HA 1 48 ASP H . . 4.880 4.359 3.896 4.883 0.003 11 0 "[ . 1 . 2]" 1
485 1 44 CYS HB2 1 45 LYS H . . 3.970 3.954 3.889 3.998 0.028 4 0 "[ . 1 . 2]" 1
486 1 44 CYS HB3 1 45 LYS H . . 3.770 2.952 2.610 3.194 . 0 0 "[ . 1 . 2]" 1
487 1 44 CYS HB3 1 45 LYS HB3 . . 5.500 5.550 5.075 5.812 0.312 5 0 "[ . 1 . 2]" 1
488 1 45 LYS H 1 45 LYS HB2 . . 3.230 2.206 2.025 2.773 . 0 0 "[ . 1 . 2]" 1
489 1 45 LYS H 1 45 LYS HB3 . . 3.020 2.816 2.260 3.120 0.100 16 0 "[ . 1 . 2]" 1
490 1 45 LYS H 1 45 LYS HG3 . . 4.610 4.172 3.857 4.649 0.039 17 0 "[ . 1 . 2]" 1
491 1 45 LYS H 1 46 LYS H . . 3.950 2.631 2.458 2.850 . 0 0 "[ . 1 . 2]" 1
492 1 45 LYS H 1 47 ALA H . . 5.160 3.675 3.341 3.926 . 0 0 "[ . 1 . 2]" 1
493 1 45 LYS HA 1 45 LYS QD . . 3.720 3.642 3.332 3.804 0.084 12 0 "[ . 1 . 2]" 1
494 1 45 LYS HA 1 45 LYS HE3 . . 5.500 5.311 3.432 5.954 0.454 18 0 "[ . 1 . 2]" 1
495 1 45 LYS HA 1 45 LYS HG2 . . 3.650 2.667 1.988 3.263 . 0 0 "[ . 1 . 2]" 1
496 1 45 LYS HA 1 45 LYS HG3 . . 3.680 2.571 1.937 3.518 . 0 0 "[ . 1 . 2]" 1
497 1 45 LYS HA 1 48 ASP H . . 4.750 4.189 3.791 4.458 . 0 0 "[ . 1 . 2]" 1
498 1 45 LYS HA 1 49 CYS H . . 4.420 3.784 2.922 4.211 . 0 0 "[ . 1 . 2]" 1
499 1 45 LYS HA 1 49 CYS HB2 . . 3.470 2.136 1.971 2.511 . 0 0 "[ . 1 . 2]" 1
500 1 45 LYS HA 1 49 CYS HB3 . . 4.130 3.675 3.385 3.989 . 0 0 "[ . 1 . 2]" 1
501 1 45 LYS HB2 1 45 LYS HE2 . . 4.640 4.149 2.513 5.001 0.361 17 0 "[ . 1 . 2]" 1
502 1 45 LYS HB2 1 46 LYS H . . 3.920 3.748 3.414 4.051 0.131 20 0 "[ . 1 . 2]" 1
503 1 45 LYS HB3 1 45 LYS HE3 . . 4.480 3.942 2.575 4.642 0.162 6 0 "[ . 1 . 2]" 1
504 1 45 LYS HB3 1 46 LYS H . . 4.920 2.947 2.400 3.483 . 0 0 "[ . 1 . 2]" 1
505 1 45 LYS HE3 1 45 LYS HG2 . . 3.850 3.320 2.553 3.783 . 0 0 "[ . 1 . 2]" 1
506 1 45 LYS HE3 1 45 LYS HG3 . . 4.240 3.091 2.012 4.218 . 0 0 "[ . 1 . 2]" 1
507 1 45 LYS HG2 1 49 CYS HB3 . . 5.400 4.319 2.906 5.429 0.029 12 0 "[ . 1 . 2]" 1
508 1 45 LYS HG3 1 49 CYS HB2 . . 4.680 3.141 2.019 4.132 . 0 0 "[ . 1 . 2]" 1
509 1 45 LYS HG3 1 49 CYS HB3 . . 4.890 4.269 3.023 5.399 0.509 19 1 "[ . 1 . +2]" 1
510 1 46 LYS H 1 46 LYS QB . . 2.960 2.234 2.136 2.323 . 0 0 "[ . 1 . 2]" 1
511 1 46 LYS H 1 46 LYS QG . . 4.820 3.134 2.607 3.989 . 0 0 "[ . 1 . 2]" 1
512 1 46 LYS H 1 47 ALA H . . 3.450 2.288 2.118 2.567 . 0 0 "[ . 1 . 2]" 1
513 1 46 LYS H 1 47 ALA MB . . 4.750 3.885 3.687 4.027 . 0 0 "[ . 1 . 2]" 1
514 1 46 LYS HA 1 46 LYS QB . . 2.690 2.429 2.318 2.489 . 0 0 "[ . 1 . 2]" 1
515 1 46 LYS HA 1 46 LYS HD2 . . 4.160 3.306 2.323 4.157 . 0 0 "[ . 1 . 2]" 1
516 1 46 LYS HA 1 46 LYS HD3 . . 3.770 2.647 2.000 3.715 . 0 0 "[ . 1 . 2]" 1
517 1 46 LYS HA 1 46 LYS QG . . 3.270 2.505 2.042 2.881 . 0 0 "[ . 1 . 2]" 1
518 1 46 LYS HA 1 50 GLU H . . 5.500 4.321 3.678 5.408 . 0 0 "[ . 1 . 2]" 1
519 1 46 LYS HA 1 50 GLU HG3 . . 3.270 2.617 1.997 3.888 0.618 15 1 "[ . 1 + 2]" 1
520 1 46 LYS QB 1 46 LYS QE . . 3.720 3.090 2.005 3.699 . 0 0 "[ . 1 . 2]" 1
521 1 46 LYS QB 1 47 ALA H . . 3.420 3.227 2.968 3.414 . 0 0 "[ . 1 . 2]" 1
522 1 46 LYS QB 1 47 ALA HA . . 5.500 4.161 4.023 4.335 . 0 0 "[ . 1 . 2]" 1
523 1 46 LYS QB 1 47 ALA MB . . 4.750 4.342 4.218 4.439 . 0 0 "[ . 1 . 2]" 1
524 1 46 LYS HD3 1 50 GLU HG2 . . 4.570 2.977 2.046 4.574 0.004 12 0 "[ . 1 . 2]" 1
525 1 46 LYS HD3 1 50 GLU HG3 . . 4.370 2.829 1.996 4.344 . 0 0 "[ . 1 . 2]" 1
526 1 46 LYS QE 1 50 GLU HG3 . . 4.700 3.862 2.765 4.715 0.015 10 0 "[ . 1 . 2]" 1
527 1 47 ALA H 1 47 ALA MB . . 3.040 2.124 1.973 2.166 . 0 0 "[ . 1 . 2]" 1
528 1 47 ALA H 1 48 ASP H . . 3.500 2.901 2.645 3.058 . 0 0 "[ . 1 . 2]" 1
529 1 47 ALA MB 1 48 ASP H . . 3.520 2.244 2.160 2.415 . 0 0 "[ . 1 . 2]" 1
530 1 47 ALA MB 1 48 ASP HA . . 5.170 4.213 3.960 4.282 . 0 0 "[ . 1 . 2]" 1
531 1 47 ALA MB 1 48 ASP HB3 . . 4.590 4.081 3.494 4.731 0.141 3 0 "[ . 1 . 2]" 1
532 1 48 ASP H 1 48 ASP HB2 . . 3.800 3.160 2.872 3.715 . 0 0 "[ . 1 . 2]" 1
533 1 48 ASP H 1 48 ASP HB3 . . 3.350 3.292 2.670 3.877 0.527 12 1 "[ . 1 + . 2]" 1
534 1 48 ASP H 1 49 CYS H . . 3.220 2.248 1.786 2.501 . 0 0 "[ . 1 . 2]" 1
535 1 48 ASP HA 1 50 GLU H . . 4.730 3.430 3.260 3.645 . 0 0 "[ . 1 . 2]" 1
536 1 48 ASP HB2 1 49 CYS H . . 4.660 4.504 3.847 4.685 0.025 13 0 "[ . 1 . 2]" 1
537 1 48 ASP HB3 1 49 CYS H . . 4.340 4.227 2.773 4.397 0.057 3 0 "[ . 1 . 2]" 1
538 1 49 CYS H 1 49 CYS HB2 . . 3.610 3.052 2.836 3.210 . 0 0 "[ . 1 . 2]" 1
539 1 49 CYS H 1 50 GLU H . . 3.350 2.242 1.927 3.463 0.113 17 0 "[ . 1 . 2]" 1
540 1 49 CYS H 1 50 GLU HG3 . . 5.500 4.412 3.901 5.519 0.019 10 0 "[ . 1 . 2]" 1
541 1 49 CYS HA 1 51 PRO QD . . 4.490 2.894 2.719 3.062 . 0 0 "[ . 1 . 2]" 1
542 1 49 CYS HA 1 52 GLN H . . 5.000 3.079 2.928 3.378 . 0 0 "[ . 1 . 2]" 1
543 1 49 CYS HA 1 52 GLN HB2 . . 4.600 2.594 2.319 2.787 . 0 0 "[ . 1 . 2]" 1
544 1 49 CYS HA 1 52 GLN HB3 . . 5.500 4.155 3.923 4.424 . 0 0 "[ . 1 . 2]" 1
545 1 49 CYS HA 1 52 GLN HE21 . . 5.420 3.775 2.698 4.536 . 0 0 "[ . 1 . 2]" 1
546 1 49 CYS HA 1 52 GLN HE22 . . 5.240 4.096 3.436 4.601 . 0 0 "[ . 1 . 2]" 1
547 1 49 CYS HB2 1 50 GLU H . . 5.500 4.164 3.833 4.394 . 0 0 "[ . 1 . 2]" 1
548 1 49 CYS HB2 1 50 GLU HA . . 5.500 4.435 4.335 4.571 . 0 0 "[ . 1 . 2]" 1
549 1 49 CYS HB2 1 53 ASP H . . 5.500 4.148 3.767 4.523 . 0 0 "[ . 1 . 2]" 1
550 1 49 CYS HB3 1 52 GLN HB2 . . 4.560 2.784 2.405 3.151 . 0 0 "[ . 1 . 2]" 1
551 1 49 CYS HB3 1 52 GLN HB3 . . 5.480 4.157 3.800 4.544 . 0 0 "[ . 1 . 2]" 1
552 1 49 CYS HB3 1 53 ASP H . . 4.980 3.696 3.138 4.036 . 0 0 "[ . 1 . 2]" 1
553 1 50 GLU H 1 50 GLU HB2 . . 3.180 2.085 2.061 2.143 . 0 0 "[ . 1 . 2]" 1
554 1 50 GLU H 1 50 GLU HB3 . . 3.410 3.324 3.131 3.378 . 0 0 "[ . 1 . 2]" 1
555 1 50 GLU H 1 50 GLU HG2 . . 4.180 3.693 3.135 4.155 . 0 0 "[ . 1 . 2]" 1
556 1 50 GLU H 1 50 GLU HG3 . . 4.060 3.620 3.304 3.995 . 0 0 "[ . 1 . 2]" 1
557 1 50 GLU H 1 51 PRO QD . . 3.150 1.868 1.774 2.128 . 0 0 "[ . 1 . 2]" 1
558 1 50 GLU H 1 53 ASP H . . 5.500 4.543 4.323 4.646 . 0 0 "[ . 1 . 2]" 1
559 1 50 GLU HA 1 50 GLU HG2 . . 3.620 2.047 1.975 2.439 . 0 0 "[ . 1 . 2]" 1
560 1 50 GLU HA 1 50 GLU HG3 . . 3.680 3.220 3.012 3.564 . 0 0 "[ . 1 . 2]" 1
561 1 50 GLU HA 1 51 PRO QD . . 3.700 3.454 3.448 3.465 . 0 0 "[ . 1 . 2]" 1
562 1 50 GLU HA 1 53 ASP H . . 4.020 3.871 3.752 3.993 . 0 0 "[ . 1 . 2]" 1
563 1 50 GLU HA 1 53 ASP HB2 . . 3.720 3.764 3.723 3.851 0.131 17 0 "[ . 1 . 2]" 1
564 1 50 GLU HA 1 53 ASP HB3 . . 3.480 3.504 3.486 3.539 0.059 10 0 "[ . 1 . 2]" 1
565 1 50 GLU HA 1 54 LYS H . . 4.800 4.462 4.092 4.724 . 0 0 "[ . 1 . 2]" 1
566 1 50 GLU HB2 1 51 PRO QD . . 2.950 1.999 1.969 2.183 . 0 0 "[ . 1 . 2]" 1
567 1 50 GLU HB3 1 51 PRO QD . . 3.080 2.511 2.027 2.661 . 0 0 "[ . 1 . 2]" 1
568 1 50 GLU HB3 1 54 LYS HG3 . . 5.500 4.653 4.423 5.122 . 0 0 "[ . 1 . 2]" 1
569 1 50 GLU HG2 1 51 PRO QD . . 4.700 4.297 4.122 4.380 . 0 0 "[ . 1 . 2]" 1
570 1 50 GLU HG3 1 51 PRO QD . . 4.100 4.106 4.068 4.194 0.094 10 0 "[ . 1 . 2]" 1
571 1 51 PRO HA 1 54 LYS H . . 4.270 3.370 3.084 3.634 . 0 0 "[ . 1 . 2]" 1
572 1 51 PRO HA 1 54 LYS HB2 . . 3.480 2.463 2.377 2.573 . 0 0 "[ . 1 . 2]" 1
573 1 51 PRO HA 1 54 LYS HB3 . . 4.000 4.022 3.920 4.061 0.061 20 0 "[ . 1 . 2]" 1
574 1 51 PRO HA 1 54 LYS QD . . 3.450 3.042 2.504 3.470 0.020 15 0 "[ . 1 . 2]" 1
575 1 51 PRO HA 1 54 LYS QE . . 5.500 4.697 3.355 5.508 0.008 15 0 "[ . 1 . 2]" 1
576 1 51 PRO HA 1 54 LYS HG2 . . 5.500 4.896 4.637 5.262 . 0 0 "[ . 1 . 2]" 1
577 1 51 PRO HA 1 54 LYS HG3 . . 4.680 3.623 3.378 4.052 . 0 0 "[ . 1 . 2]" 1
578 1 51 PRO HA 1 55 VAL H . . 5.400 3.955 3.723 4.052 . 0 0 "[ . 1 . 2]" 1
579 1 51 PRO HA 1 55 VAL MG2 . . 5.320 3.965 3.572 4.137 . 0 0 "[ . 1 . 2]" 1
580 1 51 PRO HB2 1 52 GLN H . . 3.590 3.371 2.918 3.601 0.011 15 0 "[ . 1 . 2]" 1
581 1 51 PRO HB3 1 52 GLN H . . 4.450 4.260 4.003 4.387 . 0 0 "[ . 1 . 2]" 1
582 1 51 PRO QD 1 52 GLN H . . 3.620 2.256 2.234 2.354 . 0 0 "[ . 1 . 2]" 1
583 1 51 PRO QD 1 52 GLN HG3 . . 4.200 2.976 2.634 3.382 . 0 0 "[ . 1 . 2]" 1
584 1 51 PRO HG2 1 52 GLN HG2 . . 4.390 4.033 3.603 4.389 . 0 0 "[ . 1 . 2]" 1
585 1 51 PRO HG2 1 52 GLN HG3 . . 3.700 2.950 2.863 3.056 . 0 0 "[ . 1 . 2]" 1
586 1 51 PRO HG3 1 52 GLN H . . 4.730 4.139 3.854 4.315 . 0 0 "[ . 1 . 2]" 1
587 1 52 GLN H 1 52 GLN HB2 . . 3.590 2.542 2.414 2.650 . 0 0 "[ . 1 . 2]" 1
588 1 52 GLN H 1 52 GLN HE22 . . 5.280 5.421 5.032 5.651 0.371 19 0 "[ . 1 . 2]" 1
589 1 52 GLN H 1 52 GLN HG2 . . 4.860 3.193 2.962 3.474 . 0 0 "[ . 1 . 2]" 1
590 1 52 GLN H 1 52 GLN HG3 . . 4.120 2.017 1.935 2.203 . 0 0 "[ . 1 . 2]" 1
591 1 52 GLN H 1 53 ASP H . . 3.480 2.696 2.546 2.902 . 0 0 "[ . 1 . 2]" 1
592 1 52 GLN H 1 54 LYS H . . 5.500 3.878 3.593 4.181 . 0 0 "[ . 1 . 2]" 1
593 1 52 GLN H 1 55 VAL H . . 5.380 4.795 4.686 4.867 . 0 0 "[ . 1 . 2]" 1
594 1 52 GLN HA 1 52 GLN HG2 . . 3.590 2.545 2.442 2.694 . 0 0 "[ . 1 . 2]" 1
595 1 52 GLN HA 1 52 GLN HG3 . . 3.320 3.098 2.913 3.306 . 0 0 "[ . 1 . 2]" 1
596 1 52 GLN HA 1 55 VAL H . . 3.590 3.505 3.363 3.600 0.010 10 0 "[ . 1 . 2]" 1
597 1 52 GLN HA 1 55 VAL HB . . 3.590 2.850 2.709 2.952 . 0 0 "[ . 1 . 2]" 1
598 1 52 GLN HA 1 55 VAL MG1 . . 4.250 4.155 4.021 4.262 0.012 12 0 "[ . 1 . 2]" 1
599 1 52 GLN HA 1 55 VAL MG2 . . 3.850 3.011 2.466 3.405 . 0 0 "[ . 1 . 2]" 1
600 1 52 GLN HB2 1 53 ASP H . . 3.880 2.479 2.256 2.673 . 0 0 "[ . 1 . 2]" 1
601 1 52 GLN HB2 1 53 ASP HA . . 5.500 4.109 3.942 4.271 . 0 0 "[ . 1 . 2]" 1
602 1 52 GLN HB3 1 53 ASP H . . 4.330 3.643 3.508 3.742 . 0 0 "[ . 1 . 2]" 1
603 1 52 GLN HE22 1 52 GLN HG2 . . 3.670 3.734 3.515 3.953 0.283 10 0 "[ . 1 . 2]" 1
604 1 52 GLN HE22 1 52 GLN HG3 . . 3.790 3.563 3.447 3.773 . 0 0 "[ . 1 . 2]" 1
605 1 53 ASP H 1 53 ASP HB2 . . 3.160 2.228 2.137 2.292 . 0 0 "[ . 1 . 2]" 1
606 1 53 ASP H 1 53 ASP HB3 . . 3.290 2.715 2.631 2.854 . 0 0 "[ . 1 . 2]" 1
607 1 53 ASP H 1 54 LYS H . . 3.510 2.686 2.601 2.751 . 0 0 "[ . 1 . 2]" 1
608 1 53 ASP H 1 55 VAL H . . 5.500 4.606 4.381 4.844 . 0 0 "[ . 1 . 2]" 1
609 1 53 ASP HA 1 55 VAL H . . 5.500 4.964 4.625 5.256 . 0 0 "[ . 1 . 2]" 1
610 1 53 ASP HB2 1 54 LYS H . . 3.930 3.757 3.610 3.878 . 0 0 "[ . 1 . 2]" 1
611 1 53 ASP HB3 1 54 LYS H . . 3.530 2.710 2.516 2.923 . 0 0 "[ . 1 . 2]" 1
612 1 53 ASP HB3 1 54 LYS HA . . 4.680 3.966 3.853 4.065 . 0 0 "[ . 1 . 2]" 1
613 1 54 LYS H 1 54 LYS HB2 . . 3.270 2.232 2.167 2.296 . 0 0 "[ . 1 . 2]" 1
614 1 54 LYS H 1 54 LYS HB3 . . 3.780 3.491 3.459 3.514 . 0 0 "[ . 1 . 2]" 1
615 1 54 LYS H 1 54 LYS QD . . 4.230 3.985 3.696 4.259 0.029 17 0 "[ . 1 . 2]" 1
616 1 54 LYS H 1 54 LYS HG2 . . 3.640 3.657 3.573 3.700 0.060 15 0 "[ . 1 . 2]" 1
617 1 54 LYS H 1 54 LYS HG3 . . 4.270 2.618 2.412 2.896 . 0 0 "[ . 1 . 2]" 1
618 1 54 LYS H 1 55 VAL H . . 3.420 2.804 2.696 2.887 . 0 0 "[ . 1 . 2]" 1
619 1 54 LYS H 1 55 VAL HB . . 4.720 4.657 4.504 4.742 0.022 9 0 "[ . 1 . 2]" 1
620 1 54 LYS H 1 56 CYS H . . 5.480 3.936 3.690 4.413 . 0 0 "[ . 1 . 2]" 1
621 1 54 LYS HA 1 54 LYS HB3 . . 2.720 2.611 2.572 2.658 . 0 0 "[ . 1 . 2]" 1
622 1 54 LYS HA 1 54 LYS HG2 . . 3.230 2.274 2.125 2.426 . 0 0 "[ . 1 . 2]" 1
623 1 54 LYS HA 1 54 LYS HG3 . . 3.360 2.880 2.735 3.003 . 0 0 "[ . 1 . 2]" 1
624 1 54 LYS HA 1 57 ASP H . . 4.230 3.270 2.985 3.583 . 0 0 "[ . 1 . 2]" 1
625 1 54 LYS HA 1 57 ASP HB2 . . 3.740 2.756 2.105 3.723 . 0 0 "[ . 1 . 2]" 1
626 1 54 LYS HA 1 57 ASP HB3 . . 3.780 3.168 2.581 3.738 . 0 0 "[ . 1 . 2]" 1
627 1 54 LYS HB2 1 54 LYS QD . . 3.190 2.439 2.280 2.616 . 0 0 "[ . 1 . 2]" 1
628 1 54 LYS HB2 1 55 VAL H . . 3.630 2.509 2.423 2.615 . 0 0 "[ . 1 . 2]" 1
629 1 54 LYS HB3 1 54 LYS HG2 . . 2.930 2.554 2.471 2.655 . 0 0 "[ . 1 . 2]" 1
630 1 54 LYS HB3 1 55 VAL H . . 4.220 3.142 2.943 3.328 . 0 0 "[ . 1 . 2]" 1
631 1 54 LYS QD 1 54 LYS QE . . 2.400 2.097 2.058 2.136 . 0 0 "[ . 1 . 2]" 1
632 1 54 LYS QD 1 55 VAL H . . 4.640 4.603 4.503 4.654 0.014 5 0 "[ . 1 . 2]" 1
633 1 54 LYS QE 1 54 LYS HG2 . . 3.910 2.291 1.974 2.978 . 0 0 "[ . 1 . 2]" 1
634 1 54 LYS HG3 1 55 VAL H . . 5.500 4.588 4.514 4.681 . 0 0 "[ . 1 . 2]" 1
635 1 55 VAL H 1 55 VAL HB . . 3.040 2.423 2.233 2.587 . 0 0 "[ . 1 . 2]" 1
636 1 55 VAL H 1 55 VAL MG1 . . 3.630 3.700 3.653 3.715 0.085 15 0 "[ . 1 . 2]" 1
637 1 55 VAL H 1 55 VAL MG2 . . 3.060 2.119 1.897 2.315 . 0 0 "[ . 1 . 2]" 1
638 1 55 VAL H 1 56 CYS H . . 3.340 2.908 2.763 3.151 . 0 0 "[ . 1 . 2]" 1
639 1 55 VAL H 1 56 CYS QB . . 5.190 4.606 4.484 4.713 . 0 0 "[ . 1 . 2]" 1
640 1 55 VAL H 1 57 ASP H . . 5.270 4.608 4.120 4.904 . 0 0 "[ . 1 . 2]" 1
641 1 55 VAL H 1 58 ALA H . . 5.010 4.838 4.676 4.973 . 0 0 "[ . 1 . 2]" 1
642 1 55 VAL HA 1 55 VAL MG1 . . 3.020 2.536 2.456 2.617 . 0 0 "[ . 1 . 2]" 1
643 1 55 VAL HA 1 55 VAL MG2 . . 2.870 2.265 2.144 2.398 . 0 0 "[ . 1 . 2]" 1
644 1 55 VAL HA 1 58 ALA H . . 3.970 3.620 3.267 3.982 0.012 10 0 "[ . 1 . 2]" 1
645 1 55 VAL HA 1 58 ALA MB . . 3.250 2.616 2.260 3.004 . 0 0 "[ . 1 . 2]" 1
646 1 55 VAL HB 1 56 CYS H . . 3.660 2.795 2.264 3.033 . 0 0 "[ . 1 . 2]" 1
647 1 55 VAL MG1 1 56 CYS H . . 4.210 3.435 3.010 3.719 . 0 0 "[ . 1 . 2]" 1
648 1 55 VAL MG1 1 56 CYS HA . . 3.970 3.405 3.066 3.670 . 0 0 "[ . 1 . 2]" 1
649 1 55 VAL MG1 1 56 CYS QB . . 4.990 4.199 3.830 4.580 . 0 0 "[ . 1 . 2]" 1
650 1 55 VAL MG1 1 58 ALA MB . . 4.610 3.603 3.000 4.056 . 0 0 "[ . 1 . 2]" 1
651 1 55 VAL MG2 1 56 CYS H . . 4.320 4.007 3.785 4.184 . 0 0 "[ . 1 . 2]" 1
652 1 55 VAL MG2 1 58 ALA MB . . 4.400 4.075 3.708 4.368 . 0 0 "[ . 1 . 2]" 1
653 1 56 CYS H 1 56 CYS QB . . 2.940 2.187 2.082 2.242 . 0 0 "[ . 1 . 2]" 1
654 1 56 CYS H 1 57 ASP H . . 3.470 2.753 2.453 3.123 . 0 0 "[ . 1 . 2]" 1
655 1 56 CYS H 1 57 ASP HA . . 5.500 5.208 4.964 5.509 0.009 17 0 "[ . 1 . 2]" 1
656 1 56 CYS H 1 58 ALA H . . 4.770 4.102 3.586 4.483 . 0 0 "[ . 1 . 2]" 1
657 1 56 CYS HA 1 59 CYS H . . 4.630 3.422 3.130 3.582 . 0 0 "[ . 1 . 2]" 1
658 1 56 CYS HA 1 59 CYS HB2 . . 4.070 3.497 3.161 4.019 . 0 0 "[ . 1 . 2]" 1
659 1 56 CYS HA 1 59 CYS HB3 . . 4.130 3.163 2.361 3.518 . 0 0 "[ . 1 . 2]" 1
660 1 56 CYS QB 1 57 ASP H . . 3.340 2.306 2.074 2.787 . 0 0 "[ . 1 . 2]" 1
661 1 56 CYS QB 1 57 ASP HA . . 5.500 3.974 3.740 4.235 . 0 0 "[ . 1 . 2]" 1
662 1 56 CYS QB 1 57 ASP HB3 . . 5.500 5.047 4.339 5.668 0.168 3 0 "[ . 1 . 2]" 1
663 1 57 ASP H 1 57 ASP HB2 . . 3.640 2.195 2.026 2.548 . 0 0 "[ . 1 . 2]" 1
664 1 57 ASP H 1 57 ASP HB3 . . 3.150 2.942 2.421 3.497 0.347 3 0 "[ . 1 . 2]" 1
665 1 57 ASP H 1 58 ALA H . . 3.530 2.969 2.771 3.105 . 0 0 "[ . 1 . 2]" 1
666 1 57 ASP H 1 58 ALA MB . . 5.190 4.412 4.237 4.538 . 0 0 "[ . 1 . 2]" 1
667 1 57 ASP HA 1 58 ALA MB . . 5.350 5.011 4.970 5.035 . 0 0 "[ . 1 . 2]" 1
668 1 57 ASP HA 1 60 ARG H . . 4.140 3.454 3.332 3.704 . 0 0 "[ . 1 . 2]" 1
669 1 57 ASP HA 1 60 ARG HA . . 5.500 5.405 5.275 5.522 0.022 19 0 "[ . 1 . 2]" 1
670 1 57 ASP HA 1 60 ARG HB2 . . 3.050 2.691 2.465 2.998 . 0 0 "[ . 1 . 2]" 1
671 1 57 ASP HA 1 60 ARG QD . . 4.140 3.678 2.868 4.140 . 15 0 "[ . 1 . 2]" 1
672 1 57 ASP HA 1 60 ARG HG3 . . 3.390 3.223 2.932 3.414 0.024 19 0 "[ . 1 . 2]" 1
673 1 57 ASP HA 1 61 MET H . . 4.710 4.113 3.735 4.524 . 0 0 "[ . 1 . 2]" 1
674 1 57 ASP HB2 1 58 ALA H . . 3.960 3.410 2.830 3.871 . 0 0 "[ . 1 . 2]" 1
675 1 57 ASP HB2 1 58 ALA MB . . 5.210 4.864 4.331 5.304 0.094 14 0 "[ . 1 . 2]" 1
676 1 57 ASP HB3 1 58 ALA H . . 3.900 2.487 2.037 3.469 . 0 0 "[ . 1 . 2]" 1
677 1 57 ASP HB3 1 58 ALA MB . . 5.500 3.888 3.595 4.544 . 0 0 "[ . 1 . 2]" 1
678 1 58 ALA H 1 58 ALA MB . . 2.880 2.001 1.934 2.171 . 0 0 "[ . 1 . 2]" 1
679 1 58 ALA H 1 59 CYS H . . 3.570 2.948 2.675 3.134 . 0 0 "[ . 1 . 2]" 1
680 1 58 ALA H 1 59 CYS HB3 . . 5.380 5.062 4.769 5.263 . 0 0 "[ . 1 . 2]" 1
681 1 58 ALA H 1 60 ARG H . . 5.500 4.500 3.705 4.831 . 0 0 "[ . 1 . 2]" 1
682 1 58 ALA HA 1 61 MET H . . 4.430 3.268 2.878 3.552 . 0 0 "[ . 1 . 2]" 1
683 1 58 ALA HA 1 61 MET HB2 . . 4.010 3.322 2.327 4.008 . 0 0 "[ . 1 . 2]" 1
684 1 58 ALA HA 1 61 MET HB3 . . 3.930 2.184 1.991 3.677 . 0 0 "[ . 1 . 2]" 1
685 1 58 ALA HA 1 61 MET ME . . 4.280 2.785 2.228 3.946 . 0 0 "[ . 1 . 2]" 1
686 1 58 ALA HA 1 61 MET HG2 . . 4.600 3.568 2.070 4.744 0.144 3 0 "[ . 1 . 2]" 1
687 1 58 ALA HA 1 61 MET HG3 . . 4.820 4.649 2.973 4.851 0.031 10 0 "[ . 1 . 2]" 1
688 1 58 ALA HA 1 62 LYS H . . 5.430 3.911 3.597 4.442 . 0 0 "[ . 1 . 2]" 1
689 1 58 ALA MB 1 59 CYS H . . 3.190 2.484 2.305 2.973 . 0 0 "[ . 1 . 2]" 1
690 1 58 ALA MB 1 59 CYS HA . . 4.690 3.680 3.587 3.808 . 0 0 "[ . 1 . 2]" 1
691 1 58 ALA MB 1 59 CYS HB3 . . 5.500 4.610 4.402 4.837 . 0 0 "[ . 1 . 2]" 1
692 1 59 CYS H 1 59 CYS HB2 . . 3.230 2.437 2.269 2.715 . 0 0 "[ . 1 . 2]" 1
693 1 59 CYS H 1 59 CYS HB3 . . 3.250 2.524 2.298 2.733 . 0 0 "[ . 1 . 2]" 1
694 1 59 CYS H 1 60 ARG H . . 3.460 2.926 2.639 3.031 . 0 0 "[ . 1 . 2]" 1
695 1 59 CYS H 1 60 ARG HA . . 5.500 5.362 5.134 5.439 . 0 0 "[ . 1 . 2]" 1
696 1 59 CYS H 1 61 MET H . . 4.610 3.895 3.550 4.188 . 0 0 "[ . 1 . 2]" 1
697 1 59 CYS HA 1 59 CYS HB2 . . 2.950 2.439 2.363 2.522 . 0 0 "[ . 1 . 2]" 1
698 1 59 CYS HA 1 62 LYS H . . 5.230 3.348 3.097 3.553 . 0 0 "[ . 1 . 2]" 1
699 1 59 CYS HA 1 62 LYS QB . . 3.150 2.768 2.545 2.958 . 0 0 "[ . 1 . 2]" 1
700 1 59 CYS HA 1 62 LYS QD . . 4.730 3.951 2.900 4.735 0.005 4 0 "[ . 1 . 2]" 1
701 1 59 CYS HB2 1 60 ARG H . . 3.850 3.756 3.589 3.995 0.145 18 0 "[ . 1 . 2]" 1
702 1 59 CYS HB3 1 60 ARG H . . 3.560 2.358 2.197 3.025 . 0 0 "[ . 1 . 2]" 1
703 1 60 ARG H 1 60 ARG HB2 . . 3.260 2.477 2.264 2.617 . 0 0 "[ . 1 . 2]" 1
704 1 60 ARG H 1 60 ARG HG2 . . 4.320 2.964 2.519 3.381 . 0 0 "[ . 1 . 2]" 1
705 1 60 ARG H 1 60 ARG HG3 . . 3.260 2.295 1.948 2.914 . 0 0 "[ . 1 . 2]" 1
706 1 60 ARG H 1 61 MET H . . 3.710 2.729 2.345 2.936 . 0 0 "[ . 1 . 2]" 1
707 1 60 ARG H 1 62 LYS H . . 5.500 4.290 3.774 4.612 . 0 0 "[ . 1 . 2]" 1
708 1 60 ARG HA 1 60 ARG HB2 . . 3.040 3.058 3.043 3.062 0.022 2 0 "[ . 1 . 2]" 1
709 1 60 ARG HA 1 60 ARG HB3 . . 2.890 2.560 2.503 2.641 . 0 0 "[ . 1 . 2]" 1
710 1 60 ARG HA 1 60 ARG HG2 . . 3.260 2.334 2.172 2.528 . 0 0 "[ . 1 . 2]" 1
711 1 60 ARG HA 1 60 ARG HG3 . . 4.010 3.279 3.064 3.545 . 0 0 "[ . 1 . 2]" 1
712 1 60 ARG HA 1 63 CYS H . . 4.630 3.734 3.356 3.980 . 0 0 "[ . 1 . 2]" 1
713 1 60 ARG HA 1 63 CYS HB2 . . 3.580 3.367 2.325 4.247 0.667 4 1 "[ +. 1 . 2]" 1
714 1 60 ARG HA 1 63 CYS HB3 . . 4.240 3.007 2.261 3.991 . 0 0 "[ . 1 . 2]" 1
715 1 60 ARG HB2 1 60 ARG QD . . 3.430 2.658 2.432 2.886 . 0 0 "[ . 1 . 2]" 1
716 1 60 ARG HB2 1 61 MET H . . 3.780 2.865 2.517 3.130 . 0 0 "[ . 1 . 2]" 1
717 1 60 ARG HB3 1 60 ARG QD . . 2.930 2.304 2.071 2.863 . 0 0 "[ . 1 . 2]" 1
718 1 60 ARG HB3 1 61 MET H . . 4.350 3.841 3.437 4.131 . 0 0 "[ . 1 . 2]" 1
719 1 61 MET H 1 61 MET HB2 . . 3.840 2.798 2.102 3.510 . 0 0 "[ . 1 . 2]" 1
720 1 61 MET H 1 61 MET HB3 . . 3.380 2.234 2.159 3.416 0.036 3 0 "[ . 1 . 2]" 1
721 1 61 MET H 1 61 MET ME . . 5.170 4.529 4.003 4.940 . 0 0 "[ . 1 . 2]" 1
722 1 61 MET H 1 61 MET HG2 . . 4.130 4.111 3.215 4.219 0.089 16 0 "[ . 1 . 2]" 1
723 1 61 MET H 1 61 MET HG3 . . 4.290 4.176 2.749 4.323 0.033 20 0 "[ . 1 . 2]" 1
724 1 61 MET H 1 62 LYS H . . 3.720 2.556 2.310 2.823 . 0 0 "[ . 1 . 2]" 1
725 1 61 MET H 1 63 CYS H . . 4.430 4.172 3.911 4.451 0.021 18 0 "[ . 1 . 2]" 1
726 1 61 MET HA 1 61 MET ME . . 4.990 4.624 4.169 4.970 . 0 0 "[ . 1 . 2]" 1
727 1 61 MET HA 1 61 MET HG2 . . 4.110 3.729 2.069 4.260 0.150 18 0 "[ . 1 . 2]" 1
728 1 61 MET HA 1 61 MET HG3 . . 4.150 2.792 2.702 3.571 . 0 0 "[ . 1 . 2]" 1
729 1 61 MET HA 1 64 HIS H . . 5.500 3.800 3.404 4.091 . 0 0 "[ . 1 . 2]" 1
730 1 61 MET HA 1 64 HIS HB2 . . 3.530 3.329 2.457 3.782 0.252 15 0 "[ . 1 . 2]" 1
731 1 61 MET HA 1 64 HIS HB3 . . 3.770 3.397 2.490 3.794 0.024 20 0 "[ . 1 . 2]" 1
732 1 61 MET HA 1 65 LYS H . . 5.500 4.606 4.218 4.918 . 0 0 "[ . 1 . 2]" 1
733 1 61 MET HB2 1 61 MET HG2 . . 2.910 2.949 2.756 2.974 0.064 15 0 "[ . 1 . 2]" 1
734 1 61 MET HB2 1 61 MET HG3 . . 2.850 2.780 2.270 2.989 0.139 18 0 "[ . 1 . 2]" 1
735 1 61 MET HB2 1 62 LYS H . . 4.500 4.014 2.970 4.454 . 0 0 "[ . 1 . 2]" 1
736 1 61 MET HB3 1 61 MET HG2 . . 2.770 2.325 2.290 2.895 0.125 3 0 "[ . 1 . 2]" 1
737 1 61 MET HB3 1 61 MET HG3 . . 2.880 2.950 2.758 2.975 0.095 15 0 "[ . 1 . 2]" 1
738 1 61 MET HB3 1 62 LYS H . . 4.020 2.807 2.448 4.007 . 0 0 "[ . 1 . 2]" 1
739 1 61 MET ME 1 61 MET HG2 . . 2.850 2.327 2.089 3.360 0.510 3 1 "[ + . 1 . 2]" 1
740 1 61 MET HG2 1 62 LYS H . . 5.410 3.550 3.009 4.934 . 0 0 "[ . 1 . 2]" 1
741 1 61 MET HG2 1 62 LYS QD . . 5.160 3.518 2.024 5.361 0.201 3 0 "[ . 1 . 2]" 1
742 1 61 MET HG2 1 62 LYS QE . . 4.760 2.979 1.979 4.719 . 0 0 "[ . 1 . 2]" 1
743 1 61 MET HG3 1 62 LYS H . . 5.500 3.836 2.575 5.075 . 0 0 "[ . 1 . 2]" 1
744 1 61 MET HG3 1 62 LYS QD . . 5.380 4.546 3.262 5.380 0.000 5 0 "[ . 1 . 2]" 1
745 1 61 MET HG3 1 62 LYS QE . . 4.720 4.098 3.059 4.701 . 0 0 "[ . 1 . 2]" 1
746 1 62 LYS H 1 62 LYS QB . . 3.010 2.115 1.997 2.490 . 0 0 "[ . 1 . 2]" 1
747 1 62 LYS H 1 62 LYS QD . . 4.940 3.031 2.232 4.214 . 0 0 "[ . 1 . 2]" 1
748 1 62 LYS H 1 62 LYS HG2 . . 5.160 4.172 2.328 4.634 . 0 0 "[ . 1 . 2]" 1
749 1 62 LYS H 1 62 LYS HG3 . . 4.550 3.747 2.880 4.225 . 0 0 "[ . 1 . 2]" 1
750 1 62 LYS H 1 63 CYS H . . 3.560 2.610 2.399 2.817 . 0 0 "[ . 1 . 2]" 1
751 1 62 LYS H 1 63 CYS HB3 . . 5.180 4.972 4.246 5.899 0.719 20 3 "[ . 1 -* +]" 1
752 1 62 LYS HA 1 62 LYS QB . . 2.550 2.504 2.327 2.548 . 0 0 "[ . 1 . 2]" 1
753 1 62 LYS HA 1 62 LYS QD . . 4.340 3.183 2.366 3.986 . 0 0 "[ . 1 . 2]" 1
754 1 62 LYS HA 1 62 LYS HG2 . . 3.720 3.225 2.499 3.503 . 0 0 "[ . 1 . 2]" 1
755 1 62 LYS HA 1 62 LYS HG3 . . 3.490 2.259 1.970 3.732 0.242 5 0 "[ . 1 . 2]" 1
756 1 62 LYS QB 1 62 LYS QD . . 3.020 2.124 1.940 2.632 . 0 0 "[ . 1 . 2]" 1
757 1 62 LYS QB 1 62 LYS QE . . 3.970 3.400 2.088 3.719 . 0 0 "[ . 1 . 2]" 1
758 1 62 LYS QB 1 63 CYS H . . 3.400 2.579 2.246 2.810 . 0 0 "[ . 1 . 2]" 1
759 1 62 LYS QB 1 63 CYS HB3 . . 5.190 5.019 4.473 5.583 0.393 12 0 "[ . 1 . 2]" 1
760 1 62 LYS QD 1 62 LYS HG2 . . 2.400 2.289 2.180 2.521 0.121 5 0 "[ . 1 . 2]" 1
761 1 62 LYS QE 1 62 LYS HG3 . . 3.870 2.277 1.975 3.427 . 0 0 "[ . 1 . 2]" 1
762 1 63 CYS H 1 63 CYS HB2 . . 3.150 2.275 2.037 2.682 . 0 0 "[ . 1 . 2]" 1
763 1 63 CYS H 1 63 CYS HB3 . . 3.230 2.817 2.317 3.394 0.164 20 0 "[ . 1 . 2]" 1
764 1 63 CYS H 1 64 HIS H . . 3.740 2.908 2.603 3.079 . 0 0 "[ . 1 . 2]" 1
765 1 63 CYS H 1 66 ALA MB . . 3.810 3.823 3.760 3.894 0.084 16 0 "[ . 1 . 2]" 1
766 1 63 CYS HA 1 66 ALA H . . 5.020 3.372 3.076 3.741 . 0 0 "[ . 1 . 2]" 1
767 1 63 CYS HA 1 66 ALA MB . . 3.120 2.038 1.892 2.308 . 0 0 "[ . 1 . 2]" 1
768 1 63 CYS HB2 1 64 HIS H . . 4.390 3.621 2.806 4.174 . 0 0 "[ . 1 . 2]" 1
769 1 63 CYS HB3 1 64 HIS H . . 5.500 2.660 2.264 3.583 . 0 0 "[ . 1 . 2]" 1
770 1 64 HIS H 1 64 HIS HB2 . . 3.730 2.292 2.007 2.876 . 0 0 "[ . 1 . 2]" 1
771 1 64 HIS H 1 64 HIS HB3 . . 3.830 2.740 2.104 3.151 . 0 0 "[ . 1 . 2]" 1
772 1 64 HIS H 1 65 LYS H . . 4.760 3.040 2.669 3.228 . 0 0 "[ . 1 . 2]" 1
773 1 64 HIS HA 1 64 HIS HD2 . . 4.450 2.984 2.107 4.110 . 0 0 "[ . 1 . 2]" 1
774 1 64 HIS HA 1 67 CYS H . . 4.190 3.745 3.350 4.084 . 0 0 "[ . 1 . 2]" 1
775 1 64 HIS HA 1 67 CYS HB2 . . 4.080 4.031 3.672 4.097 0.017 10 0 "[ . 1 . 2]" 1
776 1 64 HIS HA 1 67 CYS HB3 . . 3.860 3.162 2.668 3.580 . 0 0 "[ . 1 . 2]" 1
777 1 64 HIS HA 1 68 ARG H . . 5.310 4.216 3.797 4.658 . 0 0 "[ . 1 . 2]" 1
778 1 64 HIS HA 1 90 MET ME . . 4.410 3.258 2.339 3.678 . 0 0 "[ . 1 . 2]" 1
779 1 64 HIS HB2 1 65 LYS H . . 4.050 3.544 3.152 4.038 . 0 0 "[ . 1 . 2]" 1
780 1 64 HIS HB2 1 90 MET ME . . 4.880 4.321 3.734 4.825 . 0 0 "[ . 1 . 2]" 1
781 1 64 HIS HB3 1 65 LYS H . . 4.180 2.415 2.079 2.907 . 0 0 "[ . 1 . 2]" 1
782 1 64 HIS HB3 1 90 MET ME . . 3.920 4.146 3.570 4.884 0.964 10 6 "[ * + **- * 2]" 1
783 1 64 HIS HD2 1 90 MET ME . . 5.260 2.955 1.951 4.294 . 0 0 "[ . 1 . 2]" 1
784 1 65 LYS H 1 65 LYS QB . . 3.240 2.082 1.989 2.274 . 0 0 "[ . 1 . 2]" 1
785 1 65 LYS H 1 65 LYS QE . . 5.500 4.611 2.987 5.486 . 0 0 "[ . 1 . 2]" 1
786 1 65 LYS H 1 65 LYS HG3 . . 3.940 3.770 2.503 4.495 0.555 7 8 "[** **+ -* * . 2]" 1
787 1 65 LYS H 1 66 ALA H . . 3.990 2.664 2.278 2.886 . 0 0 "[ . 1 . 2]" 1
788 1 65 LYS H 1 67 CYS H . . 5.080 4.335 3.680 4.604 . 0 0 "[ . 1 . 2]" 1
789 1 65 LYS HA 1 65 LYS HG2 . . 3.680 2.973 2.060 3.590 . 0 0 "[ . 1 . 2]" 1
790 1 65 LYS HA 1 65 LYS HG3 . . 3.540 2.684 1.931 3.533 . 0 0 "[ . 1 . 2]" 1
791 1 65 LYS HA 1 68 ARG H . . 4.770 3.249 2.810 3.516 . 0 0 "[ . 1 . 2]" 1
792 1 65 LYS HA 1 68 ARG HB2 . . 3.420 2.890 2.101 3.284 . 0 0 "[ . 1 . 2]" 1
793 1 65 LYS HA 1 68 ARG HB3 . . 2.940 2.426 2.023 2.942 0.002 8 0 "[ . 1 . 2]" 1
794 1 65 LYS QB 1 66 ALA H . . 3.420 2.857 2.534 3.455 0.035 4 0 "[ . 1 . 2]" 1
795 1 65 LYS QB 1 66 ALA HA . . 4.930 4.203 3.808 4.772 . 0 0 "[ . 1 . 2]" 1
796 1 65 LYS QE 1 65 LYS HG3 . . 3.770 2.596 2.011 3.304 . 0 0 "[ . 1 . 2]" 1
797 1 66 ALA H 1 66 ALA MB . . 3.220 1.964 1.936 2.021 . 0 0 "[ . 1 . 2]" 1
798 1 66 ALA H 1 67 CYS H . . 4.110 2.852 2.494 3.065 . 0 0 "[ . 1 . 2]" 1
799 1 66 ALA HA 1 69 ALA H . . 4.380 3.452 3.100 3.857 . 0 0 "[ . 1 . 2]" 1
800 1 66 ALA HA 1 70 ALA H . . 5.500 4.247 3.755 4.680 . 0 0 "[ . 1 . 2]" 1
801 1 66 ALA MB 1 67 CYS H . . 3.760 2.546 2.331 2.958 . 0 0 "[ . 1 . 2]" 1
802 1 67 CYS H 1 67 CYS HB2 . . 3.610 2.494 2.241 2.929 . 0 0 "[ . 1 . 2]" 1
803 1 67 CYS H 1 67 CYS HB3 . . 3.630 2.492 2.162 2.788 . 0 0 "[ . 1 . 2]" 1
804 1 67 CYS HA 1 70 ALA H . . 4.740 3.176 2.724 3.575 . 0 0 "[ . 1 . 2]" 1
805 1 67 CYS HA 1 70 ALA MB . . 3.590 1.989 1.845 2.290 . 0 0 "[ . 1 . 2]" 1
806 1 67 CYS HA 1 71 ASN H . . 4.970 3.328 2.630 4.351 . 0 0 "[ . 1 . 2]" 1
807 1 67 CYS HA 1 71 ASN HD21 . . 4.870 4.013 3.205 5.663 0.793 9 1 "[ . +1 . 2]" 1
808 1 67 CYS HB3 1 68 ARG H . . 4.000 2.728 2.345 3.293 . 0 0 "[ . 1 . 2]" 1
809 1 67 CYS HB3 1 68 ARG HB2 . . 5.500 4.467 4.191 4.900 . 0 0 "[ . 1 . 2]" 1
810 1 67 CYS HB3 1 71 ASN H . . 5.500 5.259 4.673 5.524 0.024 5 0 "[ . 1 . 2]" 1
811 1 68 ARG H 1 68 ARG HB2 . . 3.480 2.445 2.142 2.767 . 0 0 "[ . 1 . 2]" 1
812 1 68 ARG H 1 68 ARG HB3 . . 3.770 2.540 2.329 2.929 . 0 0 "[ . 1 . 2]" 1
813 1 68 ARG H 1 68 ARG QD . . 5.100 4.349 4.050 4.775 . 0 0 "[ . 1 . 2]" 1
814 1 68 ARG H 1 68 ARG HG3 . . 5.070 4.459 4.074 4.692 . 0 0 "[ . 1 . 2]" 1
815 1 68 ARG H 1 69 ALA H . . 3.940 2.783 2.266 3.109 . 0 0 "[ . 1 . 2]" 1
816 1 68 ARG H 1 70 ALA H . . 5.500 3.787 3.355 4.045 . 0 0 "[ . 1 . 2]" 1
817 1 68 ARG H 1 70 ALA MB . . 4.610 4.363 4.100 4.636 0.026 8 0 "[ . 1 . 2]" 1
818 1 68 ARG H 1 71 ASN H . . 5.500 5.089 4.732 5.404 . 0 0 "[ . 1 . 2]" 1
819 1 68 ARG H 1 90 MET ME . . 4.660 3.345 2.659 4.472 . 0 0 "[ . 1 . 2]" 1
820 1 68 ARG HA 1 68 ARG QD . . 4.770 3.975 3.492 4.231 . 0 0 "[ . 1 . 2]" 1
821 1 68 ARG HA 1 68 ARG HG2 . . 3.850 2.670 2.261 3.325 . 0 0 "[ . 1 . 2]" 1
822 1 68 ARG HA 1 68 ARG HG3 . . 3.860 3.058 2.480 3.512 . 0 0 "[ . 1 . 2]" 1
823 1 68 ARG HA 1 71 ASN H . . 5.500 4.412 3.589 5.502 0.002 12 0 "[ . 1 . 2]" 1
824 1 68 ARG HA 1 72 CYS H . . 4.160 3.158 2.728 3.666 . 0 0 "[ . 1 . 2]" 1
825 1 68 ARG HA 1 72 CYS HB2 . . 4.200 2.556 2.000 3.156 . 0 0 "[ . 1 . 2]" 1
826 1 68 ARG HA 1 90 MET ME . . 4.500 3.394 2.299 4.502 0.002 13 0 "[ . 1 . 2]" 1
827 1 68 ARG HB2 1 68 ARG QD . . 3.370 2.933 2.206 3.357 . 0 0 "[ . 1 . 2]" 1
828 1 68 ARG HB2 1 69 ALA H . . 3.950 3.866 3.687 3.956 0.006 16 0 "[ . 1 . 2]" 1
829 1 68 ARG HB3 1 68 ARG QD . . 3.880 2.188 1.978 2.627 . 0 0 "[ . 1 . 2]" 1
830 1 68 ARG HB3 1 69 ALA H . . 3.540 2.597 2.206 2.919 . 0 0 "[ . 1 . 2]" 1
831 1 68 ARG HB3 1 69 ALA MB . . 4.610 3.666 3.491 3.806 . 0 0 "[ . 1 . 2]" 1
832 1 68 ARG QD 1 69 ALA MB . . 5.140 3.892 2.412 5.128 . 0 0 "[ . 1 . 2]" 1
833 1 68 ARG QD 1 72 CYS HB2 . . 4.870 4.302 3.548 4.846 . 0 0 "[ . 1 . 2]" 1
834 1 68 ARG HG2 1 69 ALA H . . 5.370 4.046 3.138 4.720 . 0 0 "[ . 1 . 2]" 1
835 1 68 ARG HG2 1 72 CYS HB2 . . 4.280 2.687 2.025 3.496 . 0 0 "[ . 1 . 2]" 1
836 1 68 ARG HG2 1 72 CYS HB3 . . 4.600 3.805 3.182 5.028 0.428 2 0 "[ . 1 . 2]" 1
837 1 68 ARG HG3 1 72 CYS HB2 . . 5.260 3.485 2.400 5.169 . 0 0 "[ . 1 . 2]" 1
838 1 68 ARG HG3 1 76 CYS HB2 . . 4.490 3.676 2.918 4.910 0.420 19 0 "[ . 1 . 2]" 1
839 1 68 ARG HG3 1 90 MET ME . . 4.820 3.802 2.916 4.796 . 0 0 "[ . 1 . 2]" 1
840 1 69 ALA H 1 69 ALA MB . . 3.010 2.128 2.000 2.303 . 0 0 "[ . 1 . 2]" 1
841 1 69 ALA H 1 70 ALA H . . 3.590 2.413 2.039 2.667 . 0 0 "[ . 1 . 2]" 1
842 1 69 ALA H 1 70 ALA MB . . 5.500 3.908 3.624 4.269 . 0 0 "[ . 1 . 2]" 1
843 1 69 ALA HA 1 72 CYS H . . 5.500 5.133 4.844 5.512 0.012 10 0 "[ . 1 . 2]" 1
844 1 69 ALA HA 1 73 ALA H . . 5.500 5.163 3.242 5.510 0.010 19 0 "[ . 1 . 2]" 1
845 1 69 ALA HA 1 73 ALA HA . . 4.420 3.199 2.304 3.626 . 0 0 "[ . 1 . 2]" 1
846 1 69 ALA MB 1 70 ALA H . . 3.930 3.066 2.600 3.442 . 0 0 "[ . 1 . 2]" 1
847 1 70 ALA H 1 70 ALA MB . . 2.890 2.129 1.962 2.311 . 0 0 "[ . 1 . 2]" 1
848 1 70 ALA H 1 71 ASN H . . 3.580 2.874 2.230 3.374 . 0 0 "[ . 1 . 2]" 1
849 1 70 ALA H 1 72 CYS H . . 4.450 4.221 3.574 4.451 0.001 19 0 "[ . 1 . 2]" 1
850 1 70 ALA MB 1 71 ASN H . . 3.570 2.020 1.899 2.592 . 0 0 "[ . 1 . 2]" 1
851 1 70 ALA MB 1 71 ASN HA . . 5.500 3.741 3.580 3.998 . 0 0 "[ . 1 . 2]" 1
852 1 70 ALA MB 1 71 ASN HD21 . . 5.050 3.031 2.050 3.953 . 0 0 "[ . 1 . 2]" 1
853 1 70 ALA MB 1 71 ASN HD22 . . 5.070 3.939 2.628 5.062 . 0 0 "[ . 1 . 2]" 1
854 1 70 ALA MB 1 72 CYS H . . 5.500 4.344 4.075 4.562 . 0 0 "[ . 1 . 2]" 1
855 1 71 ASN H 1 71 ASN HB2 . . 3.830 2.256 2.022 2.806 . 0 0 "[ . 1 . 2]" 1
856 1 71 ASN H 1 71 ASN HB3 . . 3.450 3.467 3.200 3.655 0.205 9 0 "[ . 1 . 2]" 1
857 1 71 ASN H 1 71 ASN HD21 . . 4.390 2.671 1.902 3.363 . 0 0 "[ . 1 . 2]" 1
858 1 71 ASN H 1 71 ASN HD22 . . 5.340 4.049 3.410 4.794 . 0 0 "[ . 1 . 2]" 1
859 1 71 ASN H 1 72 CYS H . . 3.350 2.811 2.367 3.299 . 0 0 "[ . 1 . 2]" 1
860 1 71 ASN HB2 1 72 CYS H . . 5.500 2.358 2.052 2.729 . 0 0 "[ . 1 . 2]" 1
861 1 71 ASN HB3 1 72 CYS H . . 3.690 2.709 2.033 3.554 . 0 0 "[ . 1 . 2]" 1
862 1 72 CYS H 1 72 CYS HB2 . . 3.760 2.553 2.412 2.798 . 0 0 "[ . 1 . 2]" 1
863 1 72 CYS H 1 73 ALA MB . . 4.830 4.733 4.270 4.850 0.020 8 0 "[ . 1 . 2]" 1
864 1 72 CYS HA 1 73 ALA MB . . 5.500 4.007 3.663 4.367 . 0 0 "[ . 1 . 2]" 1
865 1 72 CYS HA 1 75 GLU H . . 4.670 3.729 2.949 4.284 . 0 0 "[ . 1 . 2]" 1
866 1 72 CYS HA 1 75 GLU HB2 . . 4.690 3.440 2.350 4.305 . 0 0 "[ . 1 . 2]" 1
867 1 72 CYS HB2 1 75 GLU HB2 . . 4.830 4.127 3.577 4.636 . 0 0 "[ . 1 . 2]" 1
868 1 72 CYS HB2 1 76 CYS H . . 5.500 4.556 3.770 5.338 . 0 0 "[ . 1 . 2]" 1
869 1 72 CYS HB3 1 73 ALA HA . . 5.500 4.658 4.122 5.344 . 0 0 "[ . 1 . 2]" 1
870 1 72 CYS HB3 1 75 GLU HB2 . . 4.260 2.452 1.992 2.929 . 0 0 "[ . 1 . 2]" 1
871 1 72 CYS HB3 1 75 GLU HB3 . . 4.710 3.749 2.873 4.381 . 0 0 "[ . 1 . 2]" 1
872 1 72 CYS HB3 1 75 GLU HG3 . . 5.500 4.867 3.313 5.913 0.413 14 0 "[ . 1 . 2]" 1
873 1 72 CYS HB3 1 76 CYS H . . 5.000 3.487 2.545 4.003 . 0 0 "[ . 1 . 2]" 1
874 1 72 CYS HB3 1 89 CYS HB2 . . 5.360 4.258 3.763 4.959 . 0 0 "[ . 1 . 2]" 1
875 1 72 CYS HB3 1 89 CYS HB3 . . 4.150 3.366 2.672 4.042 . 0 0 "[ . 1 . 2]" 1
876 1 73 ALA H 1 73 ALA MB . . 2.960 2.582 2.047 2.954 . 0 0 "[ . 1 . 2]" 1
877 1 73 ALA H 1 74 SER H . . 4.110 2.281 1.921 3.716 . 0 0 "[ . 1 . 2]" 1
878 1 73 ALA H 1 75 GLU H . . 5.500 3.130 2.069 4.546 . 0 0 "[ . 1 . 2]" 1
879 1 73 ALA HA 1 76 CYS H . . 4.740 4.048 3.659 4.541 . 0 0 "[ . 1 . 2]" 1
880 1 73 ALA MB 1 74 SER H . . 3.620 2.614 2.105 3.195 . 0 0 "[ . 1 . 2]" 1
881 1 73 ALA MB 1 74 SER HA . . 4.270 3.863 3.732 4.068 . 0 0 "[ . 1 . 2]" 1
882 1 73 ALA MB 1 74 SER QB . . 5.150 3.633 3.352 4.092 . 0 0 "[ . 1 . 2]" 1
883 1 74 SER H 1 74 SER QB . . 3.420 2.200 2.013 2.379 . 0 0 "[ . 1 . 2]" 1
884 1 74 SER H 1 75 GLU H . . 3.900 2.320 1.979 2.936 . 0 0 "[ . 1 . 2]" 1
885 1 74 SER HA 1 76 CYS H . . 5.200 3.869 3.461 5.229 0.029 16 0 "[ . 1 . 2]" 1
886 1 74 SER QB 1 75 GLU H . . 3.840 2.775 2.379 3.874 0.034 19 0 "[ . 1 . 2]" 1
887 1 74 SER QB 1 75 GLU HG2 . . 5.150 4.474 2.997 5.567 0.417 13 0 "[ . 1 . 2]" 1
888 1 75 GLU H 1 75 GLU HB2 . . 3.530 2.352 2.110 2.547 . 0 0 "[ . 1 . 2]" 1
889 1 75 GLU H 1 75 GLU HG2 . . 3.690 3.272 1.950 4.259 0.569 20 1 "[ . 1 . +]" 1
890 1 75 GLU H 1 75 GLU HG3 . . 5.470 3.542 3.123 4.306 . 0 0 "[ . 1 . 2]" 1
891 1 75 GLU H 1 76 CYS H . . 3.480 2.651 1.875 3.382 . 0 0 "[ . 1 . 2]" 1
892 1 75 GLU H 1 76 CYS HB2 . . 5.500 5.194 4.575 5.499 . 0 0 "[ . 1 . 2]" 1
893 1 75 GLU HA 1 75 GLU HG2 . . 3.300 3.228 2.500 3.665 0.365 12 0 "[ . 1 . 2]" 1
894 1 75 GLU HA 1 75 GLU HG3 . . 3.890 2.889 2.067 3.794 . 0 0 "[ . 1 . 2]" 1
895 1 75 GLU HA 1 76 CYS HA . . 4.640 4.523 4.432 4.715 0.075 16 0 "[ . 1 . 2]" 1
896 1 75 GLU HA 1 77 PRO HD3 . . 5.120 4.290 3.787 4.660 . 0 0 "[ . 1 . 2]" 1
897 1 75 GLU HA 1 85 THR MG . . 3.580 2.449 2.056 3.144 . 0 0 "[ . 1 . 2]" 1
898 1 75 GLU HA 1 86 CYS HA . . 4.750 4.460 4.167 4.757 0.007 7 0 "[ . 1 . 2]" 1
899 1 75 GLU HB2 1 76 CYS H . . 4.030 3.146 2.236 3.649 . 0 0 "[ . 1 . 2]" 1
900 1 75 GLU HB2 1 85 THR MG . . 4.370 3.738 3.448 4.248 . 0 0 "[ . 1 . 2]" 1
901 1 75 GLU HB2 1 89 CYS HB2 . . 4.240 3.087 2.510 3.957 . 0 0 "[ . 1 . 2]" 1
902 1 75 GLU HB2 1 89 CYS HB3 . . 4.480 2.999 2.452 3.555 . 0 0 "[ . 1 . 2]" 1
903 1 75 GLU HB3 1 85 THR HB . . 5.440 5.149 4.898 5.451 0.011 13 0 "[ . 1 . 2]" 1
904 1 75 GLU HB3 1 85 THR MG . . 3.760 2.289 1.976 2.784 . 0 0 "[ . 1 . 2]" 1
905 1 75 GLU HB3 1 86 CYS H . . 4.800 3.922 3.263 4.326 . 0 0 "[ . 1 . 2]" 1
906 1 75 GLU HB3 1 86 CYS HA . . 3.460 2.188 1.985 2.432 . 0 0 "[ . 1 . 2]" 1
907 1 75 GLU HB3 1 89 CYS HB2 . . 4.380 2.919 2.337 4.203 . 0 0 "[ . 1 . 2]" 1
908 1 75 GLU HB3 1 89 CYS HB3 . . 4.620 2.922 2.623 3.670 . 0 0 "[ . 1 . 2]" 1
909 1 75 GLU HG2 1 85 THR MG . . 4.100 3.714 3.082 4.078 . 0 0 "[ . 1 . 2]" 1
910 1 75 GLU HG2 1 86 CYS HA . . 5.410 4.447 2.888 5.311 . 0 0 "[ . 1 . 2]" 1
911 1 75 GLU HG2 1 89 CYS HB2 . . 4.110 2.738 1.996 3.902 . 0 0 "[ . 1 . 2]" 1
912 1 75 GLU HG2 1 89 CYS HB3 . . 4.610 3.810 2.665 4.622 0.012 19 0 "[ . 1 . 2]" 1
913 1 75 GLU HG3 1 85 THR MG . . 4.090 3.272 2.143 4.092 0.002 17 0 "[ . 1 . 2]" 1
914 1 75 GLU HG3 1 86 CYS HA . . 4.660 4.429 3.661 5.004 0.344 7 0 "[ . 1 . 2]" 1
915 1 75 GLU HG3 1 89 CYS H . . 5.500 4.913 4.384 5.739 0.239 13 0 "[ . 1 . 2]" 1
916 1 75 GLU HG3 1 89 CYS HA . . 5.500 5.059 3.874 6.154 0.654 13 1 "[ . 1 + . 2]" 1
917 1 75 GLU HG3 1 89 CYS HB2 . . 3.750 2.965 1.997 4.003 0.253 13 0 "[ . 1 . 2]" 1
918 1 75 GLU HG3 1 89 CYS HB3 . . 4.140 4.032 2.908 4.620 0.480 8 0 "[ . 1 . 2]" 1
919 1 76 CYS H 1 76 CYS HB2 . . 3.310 2.814 2.164 3.152 . 0 0 "[ . 1 . 2]" 1
920 1 76 CYS H 1 76 CYS HB3 . . 3.990 3.778 3.459 3.972 . 0 0 "[ . 1 . 2]" 1
921 1 76 CYS H 1 77 PRO HA . . 5.500 4.646 4.234 5.429 . 0 0 "[ . 1 . 2]" 1
922 1 76 CYS H 1 77 PRO HD2 . . 4.870 4.722 4.316 4.938 0.068 19 0 "[ . 1 . 2]" 1
923 1 76 CYS H 1 77 PRO HD3 . . 4.130 3.824 3.195 4.223 0.093 16 0 "[ . 1 . 2]" 1
924 1 76 CYS HA 1 77 PRO HD2 . . 3.390 2.225 2.212 2.256 . 0 0 "[ . 1 . 2]" 1
925 1 76 CYS HA 1 77 PRO HD3 . . 3.320 2.165 2.056 2.415 . 0 0 "[ . 1 . 2]" 1
926 1 76 CYS HA 1 77 PRO HG2 . . 5.500 4.395 4.379 4.477 . 0 0 "[ . 1 . 2]" 1
927 1 76 CYS HA 1 86 CYS HA . . 4.840 4.413 3.841 4.870 0.030 13 0 "[ . 1 . 2]" 1
928 1 76 CYS HA 1 86 CYS HB2 . . 4.070 2.799 2.078 3.626 . 0 0 "[ . 1 . 2]" 1
929 1 77 PRO HA 1 78 LYS HB2 . . 5.130 4.512 4.087 5.792 0.662 10 1 "[ . + . 2]" 1
930 1 77 PRO HB2 1 78 LYS HA . . 4.590 4.488 4.320 4.598 0.008 13 0 "[ . 1 . 2]" 1
931 1 77 PRO HD2 1 80 GLU QB . . 3.750 2.820 2.072 3.558 . 0 0 "[ . 1 . 2]" 1
932 1 77 PRO HD2 1 80 GLU QG . . 4.730 4.227 2.592 4.724 . 0 0 "[ . 1 . 2]" 1
933 1 78 LYS QD 1 79 HIS QB . . 5.460 4.689 2.471 5.459 . 0 0 "[ . 1 . 2]" 1
934 1 78 LYS QE 1 79 HIS HA . . 4.890 4.264 3.224 4.889 . 0 0 "[ . 1 . 2]" 1
935 1 79 HIS HA 1 79 HIS HD2 . . 3.950 2.526 1.999 3.768 . 0 0 "[ . 1 . 2]" 1
936 1 79 HIS QB 1 80 GLU QG . . 5.010 4.222 2.720 5.011 0.001 1 0 "[ . 1 . 2]" 1
937 1 80 GLU H 1 81 HIS HA . . 5.390 4.901 3.755 5.475 0.085 8 0 "[ . 1 . 2]" 1
938 1 80 GLU HA 1 80 GLU QG . . 3.740 2.351 1.960 3.432 . 0 0 "[ . 1 . 2]" 1
939 1 80 GLU QB 1 83 SER HB3 . . 3.430 3.113 2.633 3.384 . 0 0 "[ . 1 . 2]" 1
940 1 80 GLU QG 1 81 HIS HD2 . . 4.800 4.427 2.637 4.797 . 0 0 "[ . 1 . 2]" 1
941 1 80 GLU QG 1 83 SER HB3 . . 5.500 3.997 2.838 5.079 . 0 0 "[ . 1 . 2]" 1
942 1 82 LYS HA 1 82 LYS QE . . 5.500 4.471 2.572 5.329 . 0 0 "[ . 1 . 2]" 1
943 1 82 LYS HA 1 82 LYS QG . . 3.590 2.651 1.953 3.400 . 0 0 "[ . 1 . 2]" 1
944 1 82 LYS HA 1 87 ARG QD . . 4.570 4.055 3.267 4.565 . 0 0 "[ . 1 . 2]" 1
945 1 82 LYS HA 1 87 ARG HG2 . . 4.380 3.701 2.686 4.361 . 0 0 "[ . 1 . 2]" 1
946 1 82 LYS HA 1 87 ARG HG3 . . 3.950 3.554 2.836 3.955 0.005 19 0 "[ . 1 . 2]" 1
947 1 82 LYS HB3 1 82 LYS QE . . 3.950 3.662 2.768 4.355 0.405 14 0 "[ . 1 . 2]" 1
948 1 82 LYS QD 1 82 LYS QE . . 2.400 2.094 2.048 2.136 . 0 0 "[ . 1 . 2]" 1
949 1 83 SER HA 1 83 SER HB2 . . 2.590 2.361 2.255 2.607 0.017 2 0 "[ . 1 . 2]" 1
950 1 83 SER HA 1 84 ASP QB . . 5.280 4.370 4.089 4.881 . 0 0 "[ . 1 . 2]" 1
951 1 84 ASP HA 1 86 CYS H . . 5.140 4.273 3.747 4.919 . 0 0 "[ . 1 . 2]" 1
952 1 84 ASP HA 1 87 ARG H . . 4.490 3.764 3.089 4.135 . 0 0 "[ . 1 . 2]" 1
953 1 84 ASP HA 1 87 ARG QB . . 3.340 2.931 2.334 3.343 0.003 4 0 "[ . 1 . 2]" 1
954 1 84 ASP HA 1 87 ARG QD . . 3.970 3.622 2.454 3.972 0.002 8 0 "[ . 1 . 2]" 1
955 1 84 ASP HA 1 88 ALA H . . 4.730 4.216 3.894 4.664 . 0 0 "[ . 1 . 2]" 1
956 1 84 ASP HA 1 88 ALA MB . . 5.210 4.514 3.994 4.886 . 0 0 "[ . 1 . 2]" 1
957 1 84 ASP QB 1 85 THR HA . . 5.500 3.929 3.620 4.340 . 0 0 "[ . 1 . 2]" 1
958 1 84 ASP QB 1 87 ARG QD . . 5.500 5.206 4.352 5.507 0.007 16 0 "[ . 1 . 2]" 1
959 1 85 THR HA 1 85 THR HB . . 2.790 2.657 2.510 2.781 . 0 0 "[ . 1 . 2]" 1
960 1 85 THR HA 1 85 THR MG . . 3.250 3.178 3.097 3.240 . 0 0 "[ . 1 . 2]" 1
961 1 85 THR HA 1 88 ALA H . . 4.260 3.550 3.394 3.762 . 0 0 "[ . 1 . 2]" 1
962 1 85 THR HA 1 88 ALA MB . . 3.330 2.526 2.195 2.947 . 0 0 "[ . 1 . 2]" 1
963 1 85 THR HA 1 89 CYS H . . 5.310 4.039 3.656 4.503 . 0 0 "[ . 1 . 2]" 1
964 1 85 THR HB 1 86 CYS H . . 4.000 3.826 3.560 3.997 . 0 0 "[ . 1 . 2]" 1
965 1 85 THR HB 1 88 ALA MB . . 5.260 4.826 4.529 5.227 . 0 0 "[ . 1 . 2]" 1
966 1 85 THR MG 1 86 CYS H . . 4.680 2.257 1.808 2.719 . 0 0 "[ . 1 . 2]" 1
967 1 85 THR MG 1 86 CYS HA . . 4.620 3.036 2.866 3.185 . 0 0 "[ . 1 . 2]" 1
968 1 85 THR MG 1 89 CYS H . . 5.500 4.536 4.168 5.010 . 0 0 "[ . 1 . 2]" 1
969 1 85 THR MG 1 89 CYS HB2 . . 5.500 4.328 3.743 5.292 . 0 0 "[ . 1 . 2]" 1
970 1 86 CYS H 1 86 CYS HB2 . . 3.520 2.470 2.123 2.667 . 0 0 "[ . 1 . 2]" 1
971 1 86 CYS H 1 86 CYS HB3 . . 3.650 2.538 2.343 2.915 . 0 0 "[ . 1 . 2]" 1
972 1 86 CYS H 1 87 ARG H . . 3.710 2.787 2.177 3.082 . 0 0 "[ . 1 . 2]" 1
973 1 86 CYS H 1 87 ARG QB . . 5.500 4.545 4.113 4.745 . 0 0 "[ . 1 . 2]" 1
974 1 86 CYS H 1 88 ALA H . . 4.390 3.818 3.376 4.262 . 0 0 "[ . 1 . 2]" 1
975 1 86 CYS HA 1 89 CYS H . . 3.330 3.250 3.109 3.352 0.022 7 0 "[ . 1 . 2]" 1
976 1 86 CYS HA 1 89 CYS HB2 . . 4.300 3.550 3.103 3.973 . 0 0 "[ . 1 . 2]" 1
977 1 86 CYS HA 1 89 CYS HB3 . . 3.900 2.550 2.374 2.852 . 0 0 "[ . 1 . 2]" 1
978 1 86 CYS HB2 1 87 ARG H . . 3.720 3.627 3.347 3.715 . 0 0 "[ . 1 . 2]" 1
979 1 86 CYS HB2 1 87 ARG HA . . 5.500 5.488 5.356 5.520 0.020 6 0 "[ . 1 . 2]" 1
980 1 86 CYS HB3 1 87 ARG H . . 3.540 2.212 2.066 2.675 . 0 0 "[ . 1 . 2]" 1
981 1 87 ARG H 1 87 ARG QB . . 2.940 2.486 2.382 2.571 . 0 0 "[ . 1 . 2]" 1
982 1 87 ARG H 1 87 ARG QD . . 4.620 3.968 3.739 4.124 . 0 0 "[ . 1 . 2]" 1
983 1 87 ARG H 1 87 ARG HG2 . . 3.010 2.940 2.748 3.022 0.012 4 0 "[ . 1 . 2]" 1
984 1 87 ARG H 1 87 ARG HG3 . . 4.230 2.195 1.949 2.416 . 0 0 "[ . 1 . 2]" 1
985 1 87 ARG H 1 88 ALA H . . 3.580 2.900 2.681 3.062 . 0 0 "[ . 1 . 2]" 1
986 1 87 ARG H 1 89 CYS H . . 5.260 4.411 4.023 4.833 . 0 0 "[ . 1 . 2]" 1
987 1 87 ARG HA 1 87 ARG QB . . 2.680 2.443 2.399 2.484 . 0 0 "[ . 1 . 2]" 1
988 1 87 ARG HA 1 87 ARG QD . . 4.590 4.118 3.895 4.242 . 0 0 "[ . 1 . 2]" 1
989 1 87 ARG HA 1 87 ARG HG2 . . 3.000 2.323 2.203 2.480 . 0 0 "[ . 1 . 2]" 1
990 1 87 ARG HA 1 87 ARG HG3 . . 3.460 3.225 3.119 3.323 . 0 0 "[ . 1 . 2]" 1
991 1 87 ARG HA 1 90 MET H . . 4.250 3.655 3.465 3.989 . 0 0 "[ . 1 . 2]" 1
992 1 87 ARG HA 1 90 MET QB . . 3.630 2.770 2.258 3.514 . 0 0 "[ . 1 . 2]" 1
993 1 87 ARG HA 1 90 MET ME . . 5.500 4.910 3.865 5.501 0.001 12 0 "[ . 1 . 2]" 1
994 1 87 ARG HA 1 90 MET HG2 . . 5.470 4.582 2.000 5.423 . 0 0 "[ . 1 . 2]" 1
995 1 87 ARG HA 1 90 MET HG3 . . 5.080 3.558 2.471 4.202 . 0 0 "[ . 1 . 2]" 1
996 1 87 ARG HA 1 91 LYS H . . 5.370 4.063 3.711 4.542 . 0 0 "[ . 1 . 2]" 1
997 1 87 ARG QB 1 87 ARG QD . . 3.100 2.338 2.110 2.440 . 0 0 "[ . 1 . 2]" 1
998 1 87 ARG QB 1 87 ARG HG3 . . 2.800 2.302 2.264 2.364 . 0 0 "[ . 1 . 2]" 1
999 1 87 ARG QB 1 88 ALA H . . 3.430 2.694 2.350 2.932 . 0 0 "[ . 1 . 2]" 1
1000 1 87 ARG QD 1 87 ARG HG2 . . 2.490 2.435 2.379 2.528 0.038 16 0 "[ . 1 . 2]" 1
1001 1 87 ARG QD 1 87 ARG HG3 . . 2.600 2.212 2.189 2.324 . 0 0 "[ . 1 . 2]" 1
1002 1 87 ARG HG2 1 88 ALA H . . 5.500 4.922 4.802 5.041 . 0 0 "[ . 1 . 2]" 1
1003 1 87 ARG HG3 1 88 ALA H . . 4.520 4.429 4.223 4.524 0.004 3 0 "[ . 1 . 2]" 1
1004 1 88 ALA H 1 88 ALA MB . . 2.760 2.055 1.943 2.201 . 0 0 "[ . 1 . 2]" 1
1005 1 88 ALA H 1 89 CYS H . . 3.350 2.610 2.374 2.838 . 0 0 "[ . 1 . 2]" 1
1006 1 88 ALA H 1 90 MET H . . 4.370 4.173 3.654 4.385 0.015 20 0 "[ . 1 . 2]" 1
1007 1 88 ALA HA 1 91 LYS H . . 3.480 3.393 3.112 3.493 0.013 20 0 "[ . 1 . 2]" 1
1008 1 88 ALA HA 1 91 LYS QB . . 3.320 2.346 2.092 2.639 . 0 0 "[ . 1 . 2]" 1
1009 1 88 ALA HA 1 91 LYS QD . . 4.300 3.280 2.433 4.215 . 0 0 "[ . 1 . 2]" 1
1010 1 88 ALA MB 1 89 CYS H . . 3.290 2.546 2.113 2.951 . 0 0 "[ . 1 . 2]" 1
1011 1 89 CYS H 1 89 CYS HB2 . . 3.280 2.616 2.273 2.942 . 0 0 "[ . 1 . 2]" 1
1012 1 89 CYS H 1 89 CYS HB3 . . 3.200 2.374 2.165 2.734 . 0 0 "[ . 1 . 2]" 1
1013 1 89 CYS H 1 90 MET H . . 3.380 2.797 2.587 3.007 . 0 0 "[ . 1 . 2]" 1
1014 1 89 CYS HA 1 89 CYS HB3 . . 2.980 3.008 2.974 3.026 0.046 18 0 "[ . 1 . 2]" 1
1015 1 89 CYS HA 1 92 THR H . . 3.840 3.672 3.150 3.845 0.005 19 0 "[ . 1 . 2]" 1
1016 1 89 CYS HA 1 93 ASN HD21 . . 4.410 3.425 2.218 4.960 0.550 17 1 "[ . 1 . + 2]" 1
1017 1 89 CYS HA 1 93 ASN HD22 . . 5.020 3.816 3.120 4.626 . 0 0 "[ . 1 . 2]" 1
1018 1 89 CYS HB2 1 90 MET H . . 3.890 3.890 3.840 3.941 0.051 5 0 "[ . 1 . 2]" 1
1019 1 89 CYS HB3 1 90 MET H . . 3.410 2.534 2.392 2.794 . 0 0 "[ . 1 . 2]" 1
1020 1 90 MET H 1 90 MET QB . . 3.220 2.258 2.129 2.369 . 0 0 "[ . 1 . 2]" 1
1021 1 90 MET H 1 90 MET ME . . 5.420 4.653 4.537 4.809 . 0 0 "[ . 1 . 2]" 1
1022 1 90 MET H 1 90 MET HG2 . . 3.320 3.122 2.234 3.345 0.025 14 0 "[ . 1 . 2]" 1
1023 1 90 MET H 1 90 MET HG3 . . 3.350 2.609 2.126 3.349 . 0 0 "[ . 1 . 2]" 1
1024 1 90 MET H 1 91 LYS H . . 3.450 2.759 2.596 2.866 . 0 0 "[ . 1 . 2]" 1
1025 1 90 MET HA 1 90 MET ME . . 4.200 3.535 2.848 4.095 . 0 0 "[ . 1 . 2]" 1
1026 1 90 MET HA 1 90 MET HG2 . . 3.900 2.622 2.145 4.259 0.359 14 0 "[ . 1 . 2]" 1
1027 1 90 MET HA 1 90 MET HG3 . . 4.120 3.319 3.039 3.722 . 0 0 "[ . 1 . 2]" 1
1028 1 90 MET HA 1 93 ASN H . . 4.040 3.663 3.066 4.040 0.000 11 0 "[ . 1 . 2]" 1
1029 1 90 MET HA 1 94 CYS H . . 4.050 2.540 1.947 3.967 . 0 0 "[ . 1 . 2]" 1
1030 1 90 MET HA 1 94 CYS HB2 . . 4.130 2.476 2.007 3.713 . 0 0 "[ . 1 . 2]" 1
1031 1 90 MET HA 1 94 CYS HB3 . . 4.070 3.512 2.096 4.153 0.083 17 0 "[ . 1 . 2]" 1
1032 1 90 MET QB 1 90 MET ME . . 2.960 2.140 1.903 2.470 . 0 0 "[ . 1 . 2]" 1
1033 1 90 MET QB 1 91 LYS H . . 3.860 2.820 2.117 3.652 . 0 0 "[ . 1 . 2]" 1
1034 1 90 MET ME 1 90 MET HG2 . . 3.720 2.494 2.206 3.362 . 0 0 "[ . 1 . 2]" 1
1035 1 90 MET ME 1 90 MET HG3 . . 3.500 3.202 2.293 3.377 . 0 0 "[ . 1 . 2]" 1
1036 1 90 MET ME 1 94 CYS H . . 5.490 4.645 4.174 5.486 . 0 0 "[ . 1 . 2]" 1
1037 1 90 MET ME 1 94 CYS HA . . 5.500 4.586 3.730 5.504 0.004 7 0 "[ . 1 . 2]" 1
1038 1 90 MET ME 1 94 CYS HB2 . . 3.800 2.800 1.922 3.798 . 0 0 "[ . 1 . 2]" 1
1039 1 90 MET ME 1 94 CYS HB3 . . 3.370 2.553 1.958 3.211 . 0 0 "[ . 1 . 2]" 1
1040 1 90 MET HG3 1 91 LYS H . . 5.500 4.274 2.109 5.185 . 0 0 "[ . 1 . 2]" 1
1041 1 91 LYS H 1 91 LYS QB . . 2.890 2.121 2.074 2.185 . 0 0 "[ . 1 . 2]" 1
1042 1 91 LYS H 1 91 LYS QD . . 5.500 4.272 3.092 4.559 . 0 0 "[ . 1 . 2]" 1
1043 1 91 LYS H 1 91 LYS HG2 . . 4.570 4.335 4.013 4.575 0.005 19 0 "[ . 1 . 2]" 1
1044 1 91 LYS H 1 91 LYS HG3 . . 4.270 4.334 4.062 4.584 0.314 7 0 "[ . 1 . 2]" 1
1045 1 91 LYS H 1 92 THR H . . 3.400 2.756 2.366 3.037 . 0 0 "[ . 1 . 2]" 1
1046 1 91 LYS HA 1 91 LYS QB . . 2.770 2.318 2.183 2.469 . 0 0 "[ . 1 . 2]" 1
1047 1 91 LYS HA 1 91 LYS QD . . 3.990 3.834 3.472 3.985 . 0 0 "[ . 1 . 2]" 1
1048 1 91 LYS HA 1 91 LYS HG2 . . 3.880 3.336 2.895 3.804 . 0 0 "[ . 1 . 2]" 1
1049 1 91 LYS HA 1 91 LYS HG3 . . 3.690 2.575 2.157 3.780 0.090 7 0 "[ . 1 . 2]" 1
1050 1 91 LYS QB 1 91 LYS QE . . 3.550 3.075 2.402 3.554 0.004 4 0 "[ . 1 . 2]" 1
1051 1 91 LYS QB 1 91 LYS HG3 . . 2.530 2.461 2.188 2.571 0.041 20 0 "[ . 1 . 2]" 1
1052 1 91 LYS QB 1 92 THR H . . 3.430 2.806 2.254 3.458 0.028 17 0 "[ . 1 . 2]" 1
1053 1 91 LYS QB 1 92 THR HA . . 5.130 4.458 4.174 4.674 . 0 0 "[ . 1 . 2]" 1
1054 1 91 LYS HG2 1 92 THR H . . 4.630 3.832 2.942 4.516 . 0 0 "[ . 1 . 2]" 1
1055 1 91 LYS HG2 1 92 THR HA . . 4.760 4.012 3.365 4.707 . 0 0 "[ . 1 . 2]" 1
1056 1 91 LYS HG3 1 92 THR H . . 4.820 4.497 3.750 4.836 0.016 10 0 "[ . 1 . 2]" 1
1057 1 92 THR H 1 92 THR HB . . 3.080 2.327 2.195 2.543 . 0 0 "[ . 1 . 2]" 1
1058 1 92 THR H 1 92 THR MG . . 4.230 3.682 3.653 3.737 . 0 0 "[ . 1 . 2]" 1
1059 1 92 THR H 1 93 ASN H . . 3.450 2.510 2.146 2.911 . 0 0 "[ . 1 . 2]" 1
1060 1 92 THR H 1 94 CYS H . . 4.690 4.100 3.406 4.704 0.014 9 0 "[ . 1 . 2]" 1
1061 1 92 THR HA 1 92 THR MG . . 3.240 2.450 2.242 2.569 . 0 0 "[ . 1 . 2]" 1
1062 1 92 THR HB 1 93 ASN H . . 3.540 2.534 2.313 3.334 . 0 0 "[ . 1 . 2]" 1
1063 1 92 THR HB 1 93 ASN HB2 . . 5.180 4.849 4.327 5.836 0.656 7 1 "[ . + 1 . 2]" 1
1064 1 92 THR HB 1 93 ASN HD21 . . 4.770 3.103 2.341 3.754 . 0 0 "[ . 1 . 2]" 1
1065 1 92 THR HB 1 93 ASN HD22 . . 4.770 3.773 2.435 4.639 . 0 0 "[ . 1 . 2]" 1
1066 1 92 THR MG 1 93 ASN H . . 4.270 3.287 2.937 4.019 . 0 0 "[ . 1 . 2]" 1
1067 1 92 THR MG 1 93 ASN HA . . 4.300 3.656 3.239 4.241 . 0 0 "[ . 1 . 2]" 1
1068 1 92 THR MG 1 93 ASN HD21 . . 4.870 3.422 2.074 4.677 . 0 0 "[ . 1 . 2]" 1
1069 1 92 THR MG 1 93 ASN HD22 . . 4.430 3.663 2.094 4.431 0.001 16 0 "[ . 1 . 2]" 1
1070 1 93 ASN H 1 93 ASN HB2 . . 3.420 2.686 2.209 3.679 0.259 5 0 "[ . 1 . 2]" 1
1071 1 93 ASN H 1 93 ASN HB3 . . 3.910 3.555 3.354 3.884 . 0 0 "[ . 1 . 2]" 1
1072 1 93 ASN H 1 93 ASN HD21 . . 4.220 2.254 1.907 3.195 . 0 0 "[ . 1 . 2]" 1
1073 1 93 ASN H 1 94 CYS H . . 3.200 2.709 2.094 3.262 0.062 9 0 "[ . 1 . 2]" 1
1074 1 93 ASN HB2 1 94 CYS H . . 4.150 2.696 1.955 4.260 0.110 9 0 "[ . 1 . 2]" 1
1075 1 93 ASN HB3 1 94 CYS H . . 4.980 3.429 2.731 4.490 . 0 0 "[ . 1 . 2]" 1
1076 1 93 ASN HD21 1 94 CYS H . . 5.500 4.130 3.036 5.264 . 0 0 "[ . 1 . 2]" 1
1077 1 94 CYS H 1 94 CYS HB2 . . 3.570 2.611 2.067 3.284 . 0 0 "[ . 1 . 2]" 1
1078 1 94 CYS H 1 94 CYS HB3 . . 3.680 3.375 2.408 3.698 0.018 9 0 "[ . 1 . 2]" 1
1079 1 94 CYS H 1 95 LYS H . . 3.860 3.736 2.764 4.060 0.200 7 0 "[ . 1 . 2]" 1
1080 1 94 CYS H 1 95 LYS HA . . 5.500 4.836 3.830 5.509 0.009 17 0 "[ . 1 . 2]" 1
1081 1 94 CYS HA 1 95 LYS H . . 3.390 2.651 2.282 3.469 0.079 14 0 "[ . 1 . 2]" 1
1082 1 94 CYS HA 1 95 LYS HA . . 5.190 4.577 4.417 4.644 . 0 0 "[ . 1 . 2]" 1
1083 1 94 CYS HB3 1 95 LYS H . . 4.660 3.733 1.898 4.401 . 0 0 "[ . 1 . 2]" 1
1084 1 95 LYS H 1 95 LYS HB2 . . 3.660 2.380 2.011 3.817 0.157 14 0 "[ . 1 . 2]" 1
1085 1 95 LYS H 1 95 LYS HB3 . . 3.890 3.128 2.323 3.741 . 0 0 "[ . 1 . 2]" 1
1086 1 95 LYS H 1 95 LYS QG . . 3.880 3.467 2.385 3.892 0.012 7 0 "[ . 1 . 2]" 1
1087 1 95 LYS HA 1 95 LYS QG . . 3.770 2.198 1.932 3.333 . 0 0 "[ . 1 . 2]" 1
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