NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
631248 |
6gv7   |
34289 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6gv7
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 637
_Distance_constraint_stats_list.Viol_count 1113
_Distance_constraint_stats_list.Viol_total 1772.641
_Distance_constraint_stats_list.Viol_max 0.659
_Distance_constraint_stats_list.Viol_rms 0.0308
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0070
_Distance_constraint_stats_list.Viol_average_violations_only 0.0796
_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 2 GLU 0.959 0.146 16 0 "[ . 1 . 2]"
1 3 LEU 2.866 0.187 8 0 "[ . 1 . 2]"
1 4 ARG 3.104 0.228 11 0 "[ . 1 . 2]"
1 5 CYS 2.464 0.145 5 0 "[ . 1 . 2]"
1 6 GLY 0.282 0.061 11 0 "[ . 1 . 2]"
1 7 CYS 3.513 0.371 6 0 "[ . 1 . 2]"
1 8 PRO 1.137 0.371 6 0 "[ . 1 . 2]"
1 9 ASP 1.539 0.223 20 0 "[ . 1 . 2]"
1 10 CYS 0.027 0.027 1 0 "[ . 1 . 2]"
1 11 HIS 0.619 0.228 11 0 "[ . 1 . 2]"
1 12 CYS 0.459 0.112 3 0 "[ . 1 . 2]"
1 13 LYS 1.735 0.318 16 0 "[ . 1 . 2]"
1 14 VAL 6.023 0.199 2 0 "[ . 1 . 2]"
1 15 ASP 5.812 0.300 20 0 "[ . 1 . 2]"
1 16 PRO 2.082 0.318 16 0 "[ . 1 . 2]"
1 17 GLU 3.249 0.272 15 0 "[ . 1 . 2]"
1 18 ARG 4.577 0.272 15 0 "[ . 1 . 2]"
1 19 VAL 7.479 0.183 9 0 "[ . 1 . 2]"
1 20 PHE 8.558 0.377 11 0 "[ . 1 . 2]"
1 21 ASN 3.196 0.377 11 0 "[ . 1 . 2]"
1 22 HIS 3.214 0.161 11 0 "[ . 1 . 2]"
1 23 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLU 4.847 0.198 16 0 "[ . 1 . 2]"
1 26 ALA 6.419 0.197 16 0 "[ . 1 . 2]"
1 27 TYR 5.286 0.225 16 0 "[ . 1 . 2]"
1 28 CYS 2.164 0.199 2 0 "[ . 1 . 2]"
1 29 SER 1.503 0.361 18 0 "[ . 1 . 2]"
1 30 GLN 6.735 0.361 18 0 "[ . 1 . 2]"
1 31 ALA 5.685 0.261 19 0 "[ . 1 . 2]"
1 32 CYS 1.871 0.283 12 0 "[ . 1 . 2]"
1 33 ALA 7.490 0.225 16 0 "[ . 1 . 2]"
1 34 GLU 4.581 0.261 19 0 "[ . 1 . 2]"
1 35 GLN 2.725 0.147 14 0 "[ . 1 . 2]"
1 36 HIS 6.213 0.227 11 0 "[ . 1 . 2]"
1 37 PRO 1.717 0.390 18 0 "[ . 1 . 2]"
1 38 ASN 3.020 0.390 18 0 "[ . 1 . 2]"
1 39 GLY 3.284 0.333 16 0 "[ . 1 . 2]"
1 40 GLU 4.814 0.289 9 0 "[ . 1 . 2]"
1 41 PRO 1.437 0.289 9 0 "[ . 1 . 2]"
1 42 CYS 1.606 0.188 19 0 "[ . 1 . 2]"
1 43 PRO 2.807 0.210 19 0 "[ . 1 . 2]"
1 44 HIS 4.192 0.273 18 0 "[ . 1 . 2]"
1 45 PRO 3.134 0.273 18 0 "[ . 1 . 2]"
1 46 ASP 0.139 0.073 11 0 "[ . 1 . 2]"
1 47 CYS 1.444 0.210 13 0 "[ . 1 . 2]"
1 48 HIS 1.446 0.210 13 0 "[ . 1 . 2]"
1 49 CYS 0.479 0.136 7 0 "[ . 1 . 2]"
1 50 GLU 7.876 0.444 4 0 "[ . 1 . 2]"
1 51 ARG 5.855 0.659 19 1 "[ . 1 . +2]"
1 52 SER 3.724 0.659 19 1 "[ . 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 2 GLU HA 1 2 GLU QG 3.440 . 3.440 2.857 2.172 3.485 0.045 7 0 "[ . 1 . 2]" 1
2 1 2 GLU HA 1 3 LEU H 3.470 . 3.470 2.956 2.126 3.548 0.078 19 0 "[ . 1 . 2]" 1
3 1 2 GLU HA 1 3 LEU QD 4.910 . 4.910 3.869 2.714 4.970 0.060 14 0 "[ . 1 . 2]" 1
4 1 2 GLU QG 1 3 LEU H 5.340 . 5.340 3.589 2.118 4.565 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLU QG 1 3 LEU QD 4.300 . 4.300 3.803 2.536 4.446 0.146 16 0 "[ . 1 . 2]" 1
6 1 2 GLU HG2 1 3 LEU MD1 6.710 . 6.710 5.665 3.780 6.446 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLU HG2 1 3 LEU MD2 6.710 . 6.710 4.720 2.627 5.541 . 0 0 "[ . 1 . 2]" 1
8 1 2 GLU HG3 1 3 LEU MD1 6.710 . 6.710 5.593 3.609 6.687 . 0 0 "[ . 1 . 2]" 1
9 1 2 GLU HG3 1 3 LEU MD2 6.710 . 6.710 4.496 3.011 6.101 . 0 0 "[ . 1 . 2]" 1
10 1 3 LEU H 1 3 LEU QB 3.660 . 3.660 2.382 2.255 2.525 . 0 0 "[ . 1 . 2]" 1
11 1 3 LEU H 1 3 LEU HG 4.050 . 4.050 3.511 2.456 4.237 0.187 8 0 "[ . 1 . 2]" 1
12 1 3 LEU H 1 13 LYS QD 5.340 . 5.340 3.863 2.174 5.134 . 0 0 "[ . 1 . 2]" 1
13 1 3 LEU H 1 13 LYS QE 4.840 . 4.840 3.788 2.943 4.858 0.018 5 0 "[ . 1 . 2]" 1
14 1 3 LEU H 1 13 LYS QG 4.800 . 4.800 4.075 3.118 4.940 0.140 14 0 "[ . 1 . 2]" 1
15 1 3 LEU H 1 14 VAL HB 4.990 . 4.990 4.408 3.754 5.004 0.014 17 0 "[ . 1 . 2]" 1
16 1 3 LEU H 1 16 PRO HD3 4.430 . 4.430 3.915 3.389 4.513 0.083 12 0 "[ . 1 . 2]" 1
17 1 3 LEU HA 1 3 LEU MD1 3.930 . 3.930 2.812 1.957 3.857 . 0 0 "[ . 1 . 2]" 1
18 1 3 LEU HA 1 3 LEU QD 2.970 . 2.970 1.977 1.925 2.071 . 0 0 "[ . 1 . 2]" 1
19 1 3 LEU HA 1 3 LEU MD2 3.930 . 3.930 2.444 1.956 2.929 . 0 0 "[ . 1 . 2]" 1
20 1 3 LEU HA 1 3 LEU HG 4.250 . 4.250 3.485 3.030 3.747 . 0 0 "[ . 1 . 2]" 1
21 1 3 LEU HA 1 4 ARG H 2.770 . 2.770 2.122 2.050 2.207 . 0 0 "[ . 1 . 2]" 1
22 1 3 LEU QB 1 4 ARG H 3.390 . 3.390 3.149 2.736 3.422 0.032 13 0 "[ . 1 . 2]" 1
23 1 3 LEU QB 1 13 LYS QE 5.500 . 5.500 4.563 3.950 5.412 . 0 0 "[ . 1 . 2]" 1
24 1 3 LEU QB 1 14 VAL H 3.940 . 3.940 3.206 2.877 3.522 . 0 0 "[ . 1 . 2]" 1
25 1 3 LEU QB 1 14 VAL MG1 4.270 . 4.270 3.206 2.899 3.487 . 0 0 "[ . 1 . 2]" 1
26 1 3 LEU QB 1 14 VAL MG2 3.750 . 3.750 3.155 2.914 3.420 . 0 0 "[ . 1 . 2]" 1
27 1 3 LEU QB 1 15 ASP HA 5.130 . 5.130 4.028 3.536 4.289 . 0 0 "[ . 1 . 2]" 1
28 1 3 LEU QB 1 16 PRO HA 5.500 . 5.500 4.431 4.031 4.830 . 0 0 "[ . 1 . 2]" 1
29 1 3 LEU QB 1 16 PRO HD2 5.390 . 5.390 5.124 4.549 5.441 0.051 7 0 "[ . 1 . 2]" 1
30 1 3 LEU QB 1 26 ALA H 5.500 . 5.500 5.265 4.732 5.579 0.079 20 0 "[ . 1 . 2]" 1
31 1 3 LEU QD 1 4 ARG H 3.920 . 3.920 3.338 3.047 3.648 . 0 0 "[ . 1 . 2]" 1
32 1 3 LEU QD 1 4 ARG QB 5.240 . 5.240 4.717 4.440 4.976 . 0 0 "[ . 1 . 2]" 1
33 1 3 LEU QD 1 13 LYS QD 5.280 . 5.280 4.833 4.192 5.304 0.024 6 0 "[ . 1 . 2]" 1
34 1 3 LEU QD 1 14 VAL HB 4.470 . 4.470 3.420 2.626 3.926 . 0 0 "[ . 1 . 2]" 1
35 1 3 LEU QD 1 16 PRO HB3 3.890 . 3.890 2.208 1.941 2.891 . 0 0 "[ . 1 . 2]" 1
36 1 3 LEU QD 1 16 PRO HD2 4.550 . 4.550 3.797 3.479 4.250 . 0 0 "[ . 1 . 2]" 1
37 1 3 LEU QD 1 16 PRO HD3 4.280 . 4.280 2.451 1.886 3.283 . 0 0 "[ . 1 . 2]" 1
38 1 3 LEU QD 1 16 PRO QG 4.770 . 4.770 3.062 2.539 3.699 . 0 0 "[ . 1 . 2]" 1
39 1 3 LEU QD 1 17 GLU H 5.060 . 5.060 4.718 4.346 5.091 0.031 19 0 "[ . 1 . 2]" 1
40 1 3 LEU QD 1 26 ALA MB 3.430 . 3.430 2.310 1.943 2.895 . 0 0 "[ . 1 . 2]" 1
41 1 3 LEU MD1 1 16 PRO HB3 4.690 . 4.690 3.212 1.968 4.321 . 0 0 "[ . 1 . 2]" 1
42 1 3 LEU MD1 1 16 PRO HD3 5.280 . 5.280 3.981 2.566 5.249 . 0 0 "[ . 1 . 2]" 1
43 1 3 LEU MD1 1 26 ALA MB 4.270 . 4.270 2.406 1.986 2.946 . 0 0 "[ . 1 . 2]" 1
44 1 3 LEU MD2 1 16 PRO HB3 4.690 . 4.690 2.895 1.946 4.211 . 0 0 "[ . 1 . 2]" 1
45 1 3 LEU MD2 1 16 PRO HD3 5.280 . 5.280 3.291 1.888 5.297 0.017 5 0 "[ . 1 . 2]" 1
46 1 3 LEU MD2 1 26 ALA MB 4.270 . 4.270 3.455 2.205 4.315 0.045 4 0 "[ . 1 . 2]" 1
47 1 3 LEU HG 1 16 PRO HA 5.500 . 5.500 3.740 2.981 4.506 . 0 0 "[ . 1 . 2]" 1
48 1 4 ARG H 1 4 ARG QB 3.290 . 3.290 2.303 2.118 2.496 . 0 0 "[ . 1 . 2]" 1
49 1 4 ARG H 1 4 ARG QD 4.890 . 4.890 4.135 2.931 4.814 . 0 0 "[ . 1 . 2]" 1
50 1 4 ARG HA 1 4 ARG QD 3.890 . 3.890 3.378 2.204 4.083 0.193 11 0 "[ . 1 . 2]" 1
51 1 4 ARG HA 1 5 CYS H 2.530 . 2.530 2.252 2.144 2.320 . 0 0 "[ . 1 . 2]" 1
52 1 4 ARG HA 1 5 CYS HB2 4.720 . 4.720 4.444 4.286 4.600 . 0 0 "[ . 1 . 2]" 1
53 1 4 ARG HA 1 5 CYS HB3 4.950 . 4.950 4.910 4.806 4.984 0.034 3 0 "[ . 1 . 2]" 1
54 1 4 ARG HA 1 13 LYS HA 3.690 . 3.690 3.331 2.670 3.730 0.040 13 0 "[ . 1 . 2]" 1
55 1 4 ARG HA 1 13 LYS QG 4.920 . 4.920 4.610 3.954 5.046 0.126 7 0 "[ . 1 . 2]" 1
56 1 4 ARG HA 1 14 VAL H 3.650 . 3.650 3.357 2.696 3.734 0.084 10 0 "[ . 1 . 2]" 1
57 1 4 ARG HA 1 14 VAL MG2 3.990 . 3.990 3.141 2.419 3.639 . 0 0 "[ . 1 . 2]" 1
58 1 4 ARG QB 1 4 ARG QD 3.430 . 3.430 2.320 2.083 2.668 . 0 0 "[ . 1 . 2]" 1
59 1 4 ARG QB 1 5 CYS HB2 5.500 . 5.500 5.284 4.676 5.645 0.145 5 0 "[ . 1 . 2]" 1
60 1 4 ARG QD 1 5 CYS H 5.450 . 5.450 4.371 2.846 5.225 . 0 0 "[ . 1 . 2]" 1
61 1 4 ARG QG 1 5 CYS H 4.220 . 4.220 2.899 2.305 3.537 . 0 0 "[ . 1 . 2]" 1
62 1 4 ARG QG 1 11 HIS HA 4.890 . 4.890 4.405 3.712 5.118 0.228 11 0 "[ . 1 . 2]" 1
63 1 4 ARG QG 1 12 CYS H 4.760 . 4.760 4.329 3.394 4.826 0.066 15 0 "[ . 1 . 2]" 1
64 1 4 ARG QG 1 14 VAL H 5.500 . 5.500 5.023 3.916 5.591 0.091 13 0 "[ . 1 . 2]" 1
65 1 5 CYS H 1 5 CYS HB2 2.970 . 2.970 2.412 2.274 2.534 . 0 0 "[ . 1 . 2]" 1
66 1 5 CYS H 1 5 CYS HB3 3.010 . 3.010 2.674 2.566 2.823 . 0 0 "[ . 1 . 2]" 1
67 1 5 CYS H 1 13 LYS HA 4.520 . 4.520 4.256 3.688 4.634 0.114 7 0 "[ . 1 . 2]" 1
68 1 5 CYS H 1 14 VAL MG2 3.670 . 3.670 2.941 2.656 3.189 . 0 0 "[ . 1 . 2]" 1
69 1 5 CYS H 1 27 TYR HA 5.500 . 5.500 5.026 4.805 5.261 . 0 0 "[ . 1 . 2]" 1
70 1 5 CYS H 1 28 CYS H 5.360 . 5.360 5.254 4.930 5.446 0.086 18 0 "[ . 1 . 2]" 1
71 1 5 CYS HA 1 6 GLY H 2.580 . 2.580 2.173 2.108 2.242 . 0 0 "[ . 1 . 2]" 1
72 1 5 CYS HA 1 14 VAL MG1 4.760 . 4.760 4.516 4.184 4.759 . 0 0 "[ . 1 . 2]" 1
73 1 5 CYS HA 1 14 VAL MG2 3.300 . 3.300 2.548 2.334 2.678 . 0 0 "[ . 1 . 2]" 1
74 1 5 CYS HA 1 26 ALA MB 5.300 . 5.300 4.025 3.807 4.219 . 0 0 "[ . 1 . 2]" 1
75 1 5 CYS HA 1 27 TYR HA 3.430 . 3.430 2.368 2.151 2.548 . 0 0 "[ . 1 . 2]" 1
76 1 5 CYS HA 1 27 TYR QD 5.200 . 5.200 4.197 3.966 4.378 . 0 0 "[ . 1 . 2]" 1
77 1 5 CYS HA 1 28 CYS H 4.210 . 4.210 3.509 3.291 3.678 . 0 0 "[ . 1 . 2]" 1
78 1 5 CYS HB2 1 6 GLY H 4.370 . 4.370 4.217 4.101 4.268 . 0 0 "[ . 1 . 2]" 1
79 1 5 CYS HB2 1 14 VAL H 5.390 . 5.390 5.089 4.901 5.356 . 0 0 "[ . 1 . 2]" 1
80 1 5 CYS HB2 1 14 VAL MG1 5.350 . 5.350 5.103 4.890 5.285 . 0 0 "[ . 1 . 2]" 1
81 1 5 CYS HB2 1 14 VAL MG2 3.320 . 3.320 2.875 2.707 3.022 . 0 0 "[ . 1 . 2]" 1
82 1 5 CYS HB2 1 27 TYR HA 4.500 . 4.500 3.823 3.617 3.979 . 0 0 "[ . 1 . 2]" 1
83 1 5 CYS HB2 1 28 CYS H 3.760 . 3.760 3.247 2.937 3.423 . 0 0 "[ . 1 . 2]" 1
84 1 5 CYS HB2 1 28 CYS HA 5.350 . 5.350 4.931 4.644 5.205 . 0 0 "[ . 1 . 2]" 1
85 1 5 CYS HB3 1 7 CYS H 4.240 . 4.240 3.123 2.931 3.255 . 0 0 "[ . 1 . 2]" 1
86 1 5 CYS HB3 1 7 CYS HA 5.500 . 5.500 5.572 5.530 5.610 0.110 6 0 "[ . 1 . 2]" 1
87 1 5 CYS HB3 1 14 VAL MG2 4.370 . 4.370 4.143 4.019 4.268 . 0 0 "[ . 1 . 2]" 1
88 1 6 GLY H 1 6 GLY QA 2.540 . 2.540 2.216 2.195 2.234 . 0 0 "[ . 1 . 2]" 1
89 1 6 GLY H 1 14 VAL MG2 4.260 . 4.260 4.157 3.887 4.297 0.037 9 0 "[ . 1 . 2]" 1
90 1 6 GLY H 1 25 GLU QG 4.850 . 4.850 4.612 4.241 4.868 0.018 7 0 "[ . 1 . 2]" 1
91 1 6 GLY H 1 26 ALA HA 5.500 . 5.500 5.197 5.013 5.529 0.029 6 0 "[ . 1 . 2]" 1
92 1 6 GLY H 1 26 ALA MB 4.830 . 4.830 4.356 4.083 4.713 . 0 0 "[ . 1 . 2]" 1
93 1 6 GLY H 1 27 TYR H 5.040 . 5.040 4.612 4.479 4.798 . 0 0 "[ . 1 . 2]" 1
94 1 6 GLY H 1 27 TYR HA 3.120 . 3.120 2.608 2.362 2.765 . 0 0 "[ . 1 . 2]" 1
95 1 6 GLY H 1 27 TYR HB2 4.930 . 4.930 4.887 4.721 4.991 0.061 11 0 "[ . 1 . 2]" 1
96 1 6 GLY H 1 27 TYR QD 4.010 . 4.010 2.987 2.702 3.195 . 0 0 "[ . 1 . 2]" 1
97 1 6 GLY H 1 27 TYR QE 5.200 . 5.200 3.734 3.507 3.966 . 0 0 "[ . 1 . 2]" 1
98 1 6 GLY H 1 28 CYS H 4.830 . 4.830 4.483 4.161 4.697 . 0 0 "[ . 1 . 2]" 1
99 1 6 GLY QA 1 25 GLU HB3 4.500 . 4.500 2.783 2.422 3.378 . 0 0 "[ . 1 . 2]" 1
100 1 6 GLY QA 1 25 GLU QG 3.650 . 3.650 2.821 2.500 3.131 . 0 0 "[ . 1 . 2]" 1
101 1 6 GLY QA 1 26 ALA MB 5.340 . 5.340 4.798 4.584 5.130 . 0 0 "[ . 1 . 2]" 1
102 1 6 GLY QA 1 27 TYR QD 4.660 . 4.660 3.621 3.338 3.816 . 0 0 "[ . 1 . 2]" 1
103 1 6 GLY QA 1 27 TYR QE 4.080 . 4.080 2.876 2.511 3.207 . 0 0 "[ . 1 . 2]" 1
104 1 6 GLY HA2 1 25 GLU QG 4.300 . 4.300 3.645 3.250 4.123 . 0 0 "[ . 1 . 2]" 1
105 1 6 GLY HA2 1 27 TYR QE 4.900 . 4.900 4.261 3.982 4.538 . 0 0 "[ . 1 . 2]" 1
106 1 6 GLY HA3 1 25 GLU QG 4.300 . 4.300 2.942 2.576 3.244 . 0 0 "[ . 1 . 2]" 1
107 1 6 GLY HA3 1 27 TYR QE 4.900 . 4.900 2.925 2.538 3.279 . 0 0 "[ . 1 . 2]" 1
108 1 7 CYS H 1 7 CYS HB2 3.360 . 3.360 2.587 2.373 2.900 . 0 0 "[ . 1 . 2]" 1
109 1 7 CYS H 1 7 CYS HB3 2.960 . 2.960 2.508 2.412 2.630 . 0 0 "[ . 1 . 2]" 1
110 1 7 CYS H 1 8 PRO HD2 4.820 . 4.820 4.824 4.753 4.893 0.073 18 0 "[ . 1 . 2]" 1
111 1 7 CYS H 1 9 ASP H 5.500 . 5.500 5.474 5.098 5.723 0.223 20 0 "[ . 1 . 2]" 1
112 1 7 CYS H 1 10 CYS HB3 4.950 . 4.950 4.160 3.774 4.637 . 0 0 "[ . 1 . 2]" 1
113 1 7 CYS H 1 27 TYR HA 4.850 . 4.850 4.290 4.050 4.744 . 0 0 "[ . 1 . 2]" 1
114 1 7 CYS H 1 27 TYR QD 3.420 . 3.420 2.842 2.606 3.359 . 0 0 "[ . 1 . 2]" 1
115 1 7 CYS H 1 27 TYR QE 4.040 . 4.040 3.297 2.804 3.780 . 0 0 "[ . 1 . 2]" 1
116 1 7 CYS H 1 32 CYS HB3 5.090 . 5.090 3.932 3.618 4.434 . 0 0 "[ . 1 . 2]" 1
117 1 7 CYS HA 1 8 PRO HA 4.790 . 4.790 4.463 4.356 4.500 . 0 0 "[ . 1 . 2]" 1
118 1 7 CYS HA 1 8 PRO HB3 4.930 . 4.930 4.931 4.809 5.301 0.371 6 0 "[ . 1 . 2]" 1
119 1 7 CYS HA 1 8 PRO HD2 2.800 . 2.800 2.086 2.001 2.193 . 0 0 "[ . 1 . 2]" 1
120 1 7 CYS HA 1 8 PRO HD3 2.800 . 2.800 2.341 1.982 2.492 . 0 0 "[ . 1 . 2]" 1
121 1 7 CYS HA 1 8 PRO QG 4.080 . 4.080 3.842 3.712 3.878 . 0 0 "[ . 1 . 2]" 1
122 1 7 CYS HA 1 9 ASP H 5.050 . 5.050 3.822 3.566 4.092 . 0 0 "[ . 1 . 2]" 1
123 1 7 CYS HA 1 27 TYR QD 5.020 . 5.020 4.176 3.976 4.421 . 0 0 "[ . 1 . 2]" 1
124 1 7 CYS HA 1 27 TYR QE 4.040 . 4.040 3.148 2.784 3.533 . 0 0 "[ . 1 . 2]" 1
125 1 7 CYS HA 1 32 CYS HB3 5.030 . 5.030 4.410 4.191 4.682 . 0 0 "[ . 1 . 2]" 1
126 1 7 CYS HB2 1 8 PRO HD2 4.430 . 4.430 4.076 3.916 4.227 . 0 0 "[ . 1 . 2]" 1
127 1 7 CYS HB2 1 8 PRO HD3 5.100 . 5.100 4.819 4.411 5.047 . 0 0 "[ . 1 . 2]" 1
128 1 7 CYS HB2 1 10 CYS HB3 4.550 . 4.550 3.348 3.099 3.560 . 0 0 "[ . 1 . 2]" 1
129 1 7 CYS HB2 1 27 TYR QD 3.870 . 3.870 2.760 2.534 3.116 . 0 0 "[ . 1 . 2]" 1
130 1 7 CYS HB2 1 27 TYR QE 3.600 . 3.600 3.318 2.797 3.627 0.027 1 0 "[ . 1 . 2]" 1
131 1 7 CYS HB2 1 32 CYS HA 4.950 . 4.950 3.959 3.698 4.330 . 0 0 "[ . 1 . 2]" 1
132 1 7 CYS HB3 1 8 PRO HD2 4.760 . 4.760 4.333 4.086 4.466 . 0 0 "[ . 1 . 2]" 1
133 1 7 CYS HB3 1 10 CYS H 4.600 . 4.600 3.239 2.497 3.686 . 0 0 "[ . 1 . 2]" 1
134 1 7 CYS HB3 1 10 CYS HA 5.220 . 5.220 4.648 4.267 4.797 . 0 0 "[ . 1 . 2]" 1
135 1 7 CYS HB3 1 10 CYS HB3 3.780 . 3.780 1.873 1.777 2.087 . 0 0 "[ . 1 . 2]" 1
136 1 7 CYS HB3 1 27 TYR QD 4.580 . 4.580 3.890 3.649 4.310 . 0 0 "[ . 1 . 2]" 1
137 1 7 CYS HB3 1 27 TYR QE 4.930 . 4.930 4.659 4.130 4.977 0.047 7 0 "[ . 1 . 2]" 1
138 1 7 CYS HB3 1 32 CYS HB3 4.820 . 4.820 3.566 3.167 4.174 . 0 0 "[ . 1 . 2]" 1
139 1 8 PRO HA 1 9 ASP HA 5.180 . 5.180 4.589 4.521 4.664 . 0 0 "[ . 1 . 2]" 1
140 1 8 PRO HA 1 10 CYS H 4.750 . 4.750 3.960 3.633 4.777 0.027 1 0 "[ . 1 . 2]" 1
141 1 8 PRO HB2 1 9 ASP H 4.130 . 4.130 3.492 2.458 3.909 . 0 0 "[ . 1 . 2]" 1
142 1 8 PRO HB2 1 9 ASP HA 4.550 . 4.550 4.204 3.850 4.446 . 0 0 "[ . 1 . 2]" 1
143 1 8 PRO HB3 1 9 ASP H 4.560 . 4.560 4.262 3.844 4.448 . 0 0 "[ . 1 . 2]" 1
144 1 8 PRO HD2 1 9 ASP H 4.000 . 4.000 2.842 2.568 3.026 . 0 0 "[ . 1 . 2]" 1
145 1 8 PRO HD3 1 9 ASP H 4.580 . 4.580 3.966 3.792 4.209 . 0 0 "[ . 1 . 2]" 1
146 1 8 PRO HD3 1 27 TYR QE 4.880 . 4.880 4.655 4.388 4.943 0.063 2 0 "[ . 1 . 2]" 1
147 1 8 PRO QG 1 9 ASP H 3.940 . 3.940 2.731 2.431 3.576 . 0 0 "[ . 1 . 2]" 1
148 1 8 PRO QG 1 9 ASP QB 5.080 . 5.080 3.761 3.343 5.135 0.055 6 0 "[ . 1 . 2]" 1
149 1 9 ASP H 1 9 ASP HB2 3.810 . 3.810 2.520 2.290 2.824 . 0 0 "[ . 1 . 2]" 1
150 1 9 ASP H 1 9 ASP QB 3.010 . 3.010 2.412 2.262 2.547 . 0 0 "[ . 1 . 2]" 1
151 1 9 ASP H 1 9 ASP HB3 3.810 . 3.810 3.432 2.519 3.741 . 0 0 "[ . 1 . 2]" 1
152 1 9 ASP H 1 10 CYS H 3.000 . 3.000 2.319 2.097 2.551 . 0 0 "[ . 1 . 2]" 1
153 1 9 ASP QB 1 10 CYS H 3.990 . 3.990 3.353 2.697 3.662 . 0 0 "[ . 1 . 2]" 1
154 1 9 ASP QB 1 49 CYS HA 3.970 . 3.970 3.324 2.559 3.994 0.024 1 0 "[ . 1 . 2]" 1
155 1 9 ASP QB 1 49 CYS QB 3.840 . 3.840 2.554 2.228 2.884 . 0 0 "[ . 1 . 2]" 1
156 1 9 ASP HB2 1 49 CYS HA 4.550 . 4.550 4.256 3.598 4.686 0.136 7 0 "[ . 1 . 2]" 1
157 1 9 ASP HB3 1 49 CYS HA 4.550 . 4.550 3.510 2.591 4.530 . 0 0 "[ . 1 . 2]" 1
158 1 10 CYS H 1 10 CYS HB2 3.850 . 3.850 3.192 2.746 3.601 . 0 0 "[ . 1 . 2]" 1
159 1 10 CYS H 1 10 CYS HB3 3.580 . 3.580 2.546 2.215 2.880 . 0 0 "[ . 1 . 2]" 1
160 1 10 CYS H 1 49 CYS QB 4.860 . 4.860 3.960 3.218 4.365 . 0 0 "[ . 1 . 2]" 1
161 1 10 CYS HA 1 49 CYS QB 4.290 . 4.290 3.177 2.686 3.787 . 0 0 "[ . 1 . 2]" 1
162 1 10 CYS HB3 1 49 CYS QB 4.730 . 4.730 3.590 3.077 4.204 . 0 0 "[ . 1 . 2]" 1
163 1 11 HIS QB 1 11 HIS HE1 4.610 . 4.610 4.407 4.338 4.498 . 0 0 "[ . 1 . 2]" 1
164 1 12 CYS H 1 12 CYS HB2 3.180 . 3.180 2.721 2.455 2.829 . 0 0 "[ . 1 . 2]" 1
165 1 12 CYS H 1 12 CYS HB3 3.890 . 3.890 3.818 3.671 3.882 . 0 0 "[ . 1 . 2]" 1
166 1 12 CYS HA 1 13 LYS H 2.710 . 2.710 2.226 2.155 2.322 . 0 0 "[ . 1 . 2]" 1
167 1 12 CYS HA 1 13 LYS HA 5.390 . 5.390 4.388 4.352 4.430 . 0 0 "[ . 1 . 2]" 1
168 1 12 CYS HA 1 13 LYS QB 4.290 . 4.290 4.097 4.022 4.173 . 0 0 "[ . 1 . 2]" 1
169 1 12 CYS HB2 1 13 LYS H 4.480 . 4.480 4.153 3.953 4.303 . 0 0 "[ . 1 . 2]" 1
170 1 12 CYS HB2 1 14 VAL MG2 4.360 . 4.360 3.580 3.345 3.867 . 0 0 "[ . 1 . 2]" 1
171 1 12 CYS HB2 1 28 CYS HA 5.250 . 5.250 4.747 4.287 5.068 . 0 0 "[ . 1 . 2]" 1
172 1 12 CYS HB3 1 13 LYS H 3.740 . 3.740 3.099 2.770 3.414 . 0 0 "[ . 1 . 2]" 1
173 1 12 CYS HB3 1 14 VAL MG1 5.500 . 5.500 5.459 5.273 5.612 0.112 3 0 "[ . 1 . 2]" 1
174 1 12 CYS HB3 1 14 VAL MG2 4.850 . 4.850 3.850 3.629 4.114 . 0 0 "[ . 1 . 2]" 1
175 1 12 CYS HB3 1 28 CYS HA 5.500 . 5.500 4.786 4.466 5.077 . 0 0 "[ . 1 . 2]" 1
176 1 12 CYS HB3 1 28 CYS QB 4.390 . 4.390 2.558 2.338 2.703 . 0 0 "[ . 1 . 2]" 1
177 1 12 CYS HB3 1 44 HIS HE1 4.680 . 4.680 4.021 3.797 4.238 . 0 0 "[ . 1 . 2]" 1
178 1 13 LYS H 1 13 LYS QB 2.930 . 2.930 2.285 2.198 2.387 . 0 0 "[ . 1 . 2]" 1
179 1 13 LYS H 1 13 LYS QD 5.340 . 5.340 4.466 4.230 4.722 . 0 0 "[ . 1 . 2]" 1
180 1 13 LYS H 1 13 LYS HG2 5.170 . 5.170 4.430 4.266 4.539 . 0 0 "[ . 1 . 2]" 1
181 1 13 LYS H 1 13 LYS QG 4.300 . 4.300 4.038 3.923 4.136 . 0 0 "[ . 1 . 2]" 1
182 1 13 LYS H 1 13 LYS HG3 5.170 . 5.170 4.653 4.561 4.766 . 0 0 "[ . 1 . 2]" 1
183 1 13 LYS H 1 14 VAL HA 5.480 . 5.480 5.125 4.943 5.229 . 0 0 "[ . 1 . 2]" 1
184 1 13 LYS HA 1 13 LYS HD2 4.420 . 4.420 3.793 2.669 4.594 0.174 11 0 "[ . 1 . 2]" 1
185 1 13 LYS HA 1 13 LYS QD 3.800 . 3.800 3.177 2.629 3.782 . 0 0 "[ . 1 . 2]" 1
186 1 13 LYS HA 1 13 LYS HD3 4.420 . 4.420 3.770 3.147 4.166 . 0 0 "[ . 1 . 2]" 1
187 1 13 LYS HA 1 14 VAL H 2.750 . 2.750 2.132 2.101 2.179 . 0 0 "[ . 1 . 2]" 1
188 1 13 LYS HA 1 14 VAL MG2 3.970 . 3.970 3.370 3.281 3.514 . 0 0 "[ . 1 . 2]" 1
189 1 13 LYS QD 1 14 VAL HA 4.680 . 4.680 3.843 3.550 4.171 . 0 0 "[ . 1 . 2]" 1
190 1 13 LYS QD 1 14 VAL MG2 5.290 . 5.290 4.498 4.100 5.008 . 0 0 "[ . 1 . 2]" 1
191 1 13 LYS QD 1 16 PRO HD3 5.340 . 5.340 4.831 4.252 5.392 0.052 19 0 "[ . 1 . 2]" 1
192 1 13 LYS QE 1 15 ASP H 5.500 . 5.500 4.857 3.808 5.496 . 0 0 "[ . 1 . 2]" 1
193 1 13 LYS QE 1 16 PRO HD3 4.810 . 4.810 4.203 3.491 5.128 0.318 16 0 "[ . 1 . 2]" 1
194 1 14 VAL H 1 14 VAL HB 2.800 . 2.800 2.719 2.654 2.780 . 0 0 "[ . 1 . 2]" 1
195 1 14 VAL H 1 14 VAL MG1 3.860 . 3.860 3.814 3.776 3.852 . 0 0 "[ . 1 . 2]" 1
196 1 14 VAL H 1 14 VAL MG2 3.010 . 3.010 2.107 1.948 2.259 . 0 0 "[ . 1 . 2]" 1
197 1 14 VAL H 1 15 ASP HA 5.500 . 5.500 5.156 5.037 5.314 . 0 0 "[ . 1 . 2]" 1
198 1 14 VAL HA 1 14 VAL MG1 2.840 . 2.840 2.233 2.160 2.287 . 0 0 "[ . 1 . 2]" 1
199 1 14 VAL HA 1 14 VAL MG2 3.210 . 3.210 2.549 2.510 2.593 . 0 0 "[ . 1 . 2]" 1
200 1 14 VAL HA 1 15 ASP H 2.730 . 2.730 2.218 2.143 2.331 . 0 0 "[ . 1 . 2]" 1
201 1 14 VAL HA 1 15 ASP HB2 4.700 . 4.700 4.365 4.201 4.525 . 0 0 "[ . 1 . 2]" 1
202 1 14 VAL HA 1 15 ASP HB3 5.500 . 5.500 5.529 4.963 5.635 0.135 14 0 "[ . 1 . 2]" 1
203 1 14 VAL HA 1 28 CYS H 5.500 . 5.500 5.586 5.389 5.699 0.199 2 0 "[ . 1 . 2]" 1
204 1 14 VAL HB 1 15 ASP H 4.140 . 4.140 3.732 3.544 3.880 . 0 0 "[ . 1 . 2]" 1
205 1 14 VAL HB 1 19 VAL MG1 4.810 . 4.810 4.813 4.520 4.921 0.111 3 0 "[ . 1 . 2]" 1
206 1 14 VAL HB 1 19 VAL MG2 4.810 . 4.810 3.413 3.010 3.802 . 0 0 "[ . 1 . 2]" 1
207 1 14 VAL HB 1 26 ALA MB 4.700 . 4.700 3.129 2.887 3.512 . 0 0 "[ . 1 . 2]" 1
208 1 14 VAL HB 1 28 CYS HA 4.820 . 4.820 4.614 4.363 4.827 0.007 6 0 "[ . 1 . 2]" 1
209 1 14 VAL MG1 1 15 ASP H 3.470 . 3.470 2.267 2.055 2.467 . 0 0 "[ . 1 . 2]" 1
210 1 14 VAL MG1 1 16 PRO HA 4.740 . 4.740 4.304 4.142 4.627 . 0 0 "[ . 1 . 2]" 1
211 1 14 VAL MG1 1 19 VAL HA 3.290 . 3.290 2.701 2.305 3.119 . 0 0 "[ . 1 . 2]" 1
212 1 14 VAL MG1 1 19 VAL MG1 3.430 . 3.430 3.457 3.275 3.539 0.109 19 0 "[ . 1 . 2]" 1
213 1 14 VAL MG1 1 19 VAL QG 2.810 . 2.810 1.812 1.752 1.884 . 0 0 "[ . 1 . 2]" 1
214 1 14 VAL MG1 1 19 VAL MG2 3.430 . 3.430 1.819 1.757 1.896 . 0 0 "[ . 1 . 2]" 1
215 1 14 VAL MG1 1 20 PHE H 4.400 . 4.400 3.450 3.123 3.879 . 0 0 "[ . 1 . 2]" 1
216 1 14 VAL MG1 1 26 ALA HA 4.930 . 4.930 4.093 3.706 4.382 . 0 0 "[ . 1 . 2]" 1
217 1 14 VAL MG1 1 26 ALA MB 3.310 . 3.310 2.859 2.258 3.251 . 0 0 "[ . 1 . 2]" 1
218 1 14 VAL MG1 1 28 CYS H 4.800 . 4.800 3.899 3.725 4.073 . 0 0 "[ . 1 . 2]" 1
219 1 14 VAL MG1 1 28 CYS HA 3.480 . 3.480 2.191 1.983 2.399 . 0 0 "[ . 1 . 2]" 1
220 1 14 VAL MG1 1 28 CYS QB 4.070 . 4.070 3.546 3.293 3.794 . 0 0 "[ . 1 . 2]" 1
221 1 14 VAL MG2 1 15 ASP H 4.460 . 4.460 4.083 4.020 4.134 . 0 0 "[ . 1 . 2]" 1
222 1 14 VAL MG2 1 19 VAL QG 5.200 . 5.200 3.324 3.110 3.490 . 0 0 "[ . 1 . 2]" 1
223 1 14 VAL MG2 1 26 ALA MB 3.420 . 3.420 3.100 2.849 3.420 0.000 7 0 "[ . 1 . 2]" 1
224 1 14 VAL MG2 1 27 TYR H 5.430 . 5.430 4.017 3.780 4.264 . 0 0 "[ . 1 . 2]" 1
225 1 14 VAL MG2 1 27 TYR HA 3.880 . 3.880 2.884 2.749 3.024 . 0 0 "[ . 1 . 2]" 1
226 1 14 VAL MG2 1 28 CYS H 4.010 . 4.010 2.853 2.726 3.063 . 0 0 "[ . 1 . 2]" 1
227 1 14 VAL MG2 1 28 CYS HA 3.470 . 3.470 2.405 2.169 2.590 . 0 0 "[ . 1 . 2]" 1
228 1 14 VAL MG2 1 28 CYS HB2 3.870 . 3.870 3.593 3.174 3.874 0.004 3 0 "[ . 1 . 2]" 1
229 1 14 VAL MG2 1 28 CYS QB 3.180 . 3.180 2.393 2.000 2.735 . 0 0 "[ . 1 . 2]" 1
230 1 14 VAL MG2 1 28 CYS HB3 3.870 . 3.870 2.432 2.021 2.797 . 0 0 "[ . 1 . 2]" 1
231 1 15 ASP H 1 15 ASP HB2 3.170 . 3.170 2.370 2.221 2.610 . 0 0 "[ . 1 . 2]" 1
232 1 15 ASP H 1 15 ASP HB3 3.470 . 3.470 3.453 2.738 3.617 0.147 1 0 "[ . 1 . 2]" 1
233 1 15 ASP H 1 28 CYS HA 4.890 . 4.890 4.678 4.311 4.970 0.080 2 0 "[ . 1 . 2]" 1
234 1 15 ASP HA 1 16 PRO HA 4.430 . 4.430 4.424 4.388 4.460 0.030 14 0 "[ . 1 . 2]" 1
235 1 15 ASP HA 1 16 PRO HD2 2.820 . 2.820 2.184 1.987 2.564 . 0 0 "[ . 1 . 2]" 1
236 1 15 ASP HA 1 16 PRO HD3 2.800 . 2.800 2.259 1.844 2.509 . 0 0 "[ . 1 . 2]" 1
237 1 15 ASP HA 1 16 PRO QG 4.870 . 4.870 3.855 3.709 3.949 . 0 0 "[ . 1 . 2]" 1
238 1 15 ASP HB2 1 16 PRO HD2 4.540 . 4.540 4.165 3.929 4.457 . 0 0 "[ . 1 . 2]" 1
239 1 15 ASP HB2 1 17 GLU H 5.090 . 5.090 3.907 3.479 4.567 . 0 0 "[ . 1 . 2]" 1
240 1 15 ASP HB2 1 18 ARG H 4.000 . 4.000 3.514 2.973 4.217 0.217 13 0 "[ . 1 . 2]" 1
241 1 15 ASP HB2 1 18 ARG HB2 4.830 . 4.830 3.989 3.557 4.787 . 0 0 "[ . 1 . 2]" 1
242 1 15 ASP HB2 1 18 ARG QG 5.230 . 5.230 4.933 4.580 5.293 0.063 13 0 "[ . 1 . 2]" 1
243 1 15 ASP HB3 1 16 PRO HD2 3.950 . 3.950 2.953 2.652 3.748 . 0 0 "[ . 1 . 2]" 1
244 1 15 ASP HB3 1 16 PRO HD3 4.430 . 4.430 4.154 3.709 4.730 0.300 20 0 "[ . 1 . 2]" 1
245 1 15 ASP HB3 1 16 PRO QG 4.750 . 4.750 4.362 4.102 4.915 0.165 20 0 "[ . 1 . 2]" 1
246 1 15 ASP HB3 1 17 GLU QB 4.140 . 4.140 3.193 2.625 4.074 . 0 0 "[ . 1 . 2]" 1
247 1 15 ASP HB3 1 18 ARG H 4.510 . 4.510 3.152 2.329 3.646 . 0 0 "[ . 1 . 2]" 1
248 1 15 ASP HB3 1 18 ARG HB2 4.690 . 4.690 4.442 3.321 4.755 0.065 2 0 "[ . 1 . 2]" 1
249 1 15 ASP HB3 1 19 VAL QG 5.360 . 5.360 5.179 4.685 5.406 0.046 9 0 "[ . 1 . 2]" 1
250 1 16 PRO HA 1 18 ARG H 4.460 . 4.460 4.103 3.918 4.328 . 0 0 "[ . 1 . 2]" 1
251 1 16 PRO HA 1 19 VAL HB 3.780 . 3.780 3.190 2.642 3.776 . 0 0 "[ . 1 . 2]" 1
252 1 16 PRO HA 1 19 VAL QG 3.270 . 3.270 2.252 1.919 2.733 . 0 0 "[ . 1 . 2]" 1
253 1 16 PRO HB2 1 17 GLU H 4.040 . 4.040 3.614 2.811 4.020 . 0 0 "[ . 1 . 2]" 1
254 1 16 PRO HD2 1 17 GLU H 3.470 . 3.470 2.814 2.570 3.116 . 0 0 "[ . 1 . 2]" 1
255 1 16 PRO HD2 1 17 GLU QG 4.960 . 4.960 3.603 2.447 4.598 . 0 0 "[ . 1 . 2]" 1
256 1 16 PRO HD2 1 19 VAL QG 5.440 . 5.440 5.249 4.997 5.490 0.050 12 0 "[ . 1 . 2]" 1
257 1 16 PRO HD3 1 17 GLU H 4.840 . 4.840 3.946 3.765 4.135 . 0 0 "[ . 1 . 2]" 1
258 1 16 PRO QG 1 17 GLU H 4.400 . 4.400 2.883 2.509 3.873 . 0 0 "[ . 1 . 2]" 1
259 1 17 GLU H 1 17 GLU QB 2.770 . 2.770 2.409 2.094 2.678 . 0 0 "[ . 1 . 2]" 1
260 1 17 GLU H 1 17 GLU HG2 4.150 . 4.150 3.357 1.866 3.906 . 0 0 "[ . 1 . 2]" 1
261 1 17 GLU H 1 17 GLU HG3 4.150 . 4.150 2.635 2.078 4.054 . 0 0 "[ . 1 . 2]" 1
262 1 17 GLU H 1 18 ARG H 2.920 . 2.920 2.457 2.153 2.706 . 0 0 "[ . 1 . 2]" 1
263 1 17 GLU H 1 18 ARG QG 4.300 . 4.300 4.436 4.348 4.572 0.272 15 0 "[ . 1 . 2]" 1
264 1 17 GLU H 1 19 VAL H 5.390 . 5.390 4.763 3.566 5.406 0.016 4 0 "[ . 1 . 2]" 1
265 1 17 GLU HA 1 17 GLU HG2 3.700 . 3.700 2.726 2.290 3.694 . 0 0 "[ . 1 . 2]" 1
266 1 17 GLU HA 1 17 GLU QG 3.170 . 3.170 2.545 2.231 3.317 0.147 15 0 "[ . 1 . 2]" 1
267 1 17 GLU HA 1 17 GLU HG3 3.700 . 3.700 3.160 2.500 3.766 0.066 8 0 "[ . 1 . 2]" 1
268 1 17 GLU HA 1 18 ARG QG 4.420 . 4.420 4.077 3.937 4.322 . 0 0 "[ . 1 . 2]" 1
269 1 17 GLU QB 1 17 GLU QG 2.190 . 2.190 2.071 1.988 2.089 . 0 0 "[ . 1 . 2]" 1
270 1 17 GLU QG 1 18 ARG H 4.720 . 4.720 3.987 2.280 4.456 . 0 0 "[ . 1 . 2]" 1
271 1 18 ARG H 1 18 ARG HB3 4.180 . 4.180 3.891 3.846 3.933 . 0 0 "[ . 1 . 2]" 1
272 1 18 ARG H 1 18 ARG QD 4.810 . 4.810 4.459 3.848 4.858 0.048 17 0 "[ . 1 . 2]" 1
273 1 18 ARG H 1 18 ARG QG 3.200 . 3.200 3.015 2.888 3.141 . 0 0 "[ . 1 . 2]" 1
274 1 18 ARG H 1 19 VAL H 3.320 . 3.320 2.990 2.125 3.433 0.113 20 0 "[ . 1 . 2]" 1
275 1 18 ARG H 1 19 VAL QG 4.090 . 4.090 3.589 3.370 3.779 . 0 0 "[ . 1 . 2]" 1
276 1 18 ARG HA 1 18 ARG QD 4.070 . 4.070 3.576 2.080 4.107 0.037 9 0 "[ . 1 . 2]" 1
277 1 18 ARG HA 1 18 ARG QG 3.210 . 3.210 2.615 2.402 3.052 . 0 0 "[ . 1 . 2]" 1
278 1 18 ARG HA 1 19 VAL H 3.060 . 3.060 2.516 2.279 3.000 . 0 0 "[ . 1 . 2]" 1
279 1 18 ARG HA 1 19 VAL HA 4.710 . 4.710 4.486 4.368 4.758 0.048 18 0 "[ . 1 . 2]" 1
280 1 18 ARG HB2 1 18 ARG QD 3.700 . 3.700 2.799 2.333 3.558 . 0 0 "[ . 1 . 2]" 1
281 1 18 ARG HB3 1 19 VAL H 4.430 . 4.430 4.272 4.095 4.467 0.037 16 0 "[ . 1 . 2]" 1
282 1 19 VAL H 1 19 VAL HB 3.350 . 3.350 3.113 2.740 3.315 . 0 0 "[ . 1 . 2]" 1
283 1 19 VAL H 1 19 VAL MG1 3.980 . 3.980 2.029 1.862 2.150 . 0 0 "[ . 1 . 2]" 1
284 1 19 VAL H 1 19 VAL QG 3.300 . 3.300 2.020 1.857 2.139 . 0 0 "[ . 1 . 2]" 1
285 1 19 VAL H 1 19 VAL MG2 3.980 . 3.980 3.798 3.759 3.828 . 0 0 "[ . 1 . 2]" 1
286 1 19 VAL HA 1 19 VAL MG1 3.320 . 3.320 3.209 3.201 3.216 . 0 0 "[ . 1 . 2]" 1
287 1 19 VAL HA 1 19 VAL MG2 3.320 . 3.320 2.453 2.428 2.478 . 0 0 "[ . 1 . 2]" 1
288 1 19 VAL HA 1 20 PHE H 2.840 . 2.840 2.183 2.147 2.245 . 0 0 "[ . 1 . 2]" 1
289 1 19 VAL HA 1 20 PHE HA 5.500 . 5.500 4.338 4.304 4.381 . 0 0 "[ . 1 . 2]" 1
290 1 19 VAL HA 1 20 PHE QB 4.520 . 4.520 4.319 4.035 4.544 0.024 12 0 "[ . 1 . 2]" 1
291 1 19 VAL HA 1 26 ALA HA 5.500 . 5.500 5.538 5.418 5.609 0.109 15 0 "[ . 1 . 2]" 1
292 1 19 VAL HA 1 26 ALA MB 5.000 . 5.000 4.916 4.752 5.010 0.010 3 0 "[ . 1 . 2]" 1
293 1 19 VAL HA 1 27 TYR H 5.050 . 5.050 4.974 4.814 5.076 0.026 7 0 "[ . 1 . 2]" 1
294 1 19 VAL HB 1 20 PHE H 4.240 . 4.240 4.013 3.915 4.136 . 0 0 "[ . 1 . 2]" 1
295 1 19 VAL HB 1 27 TYR H 5.500 . 5.500 5.308 5.141 5.505 0.005 9 0 "[ . 1 . 2]" 1
296 1 19 VAL QG 1 20 PHE H 3.530 . 3.530 2.417 2.260 2.633 . 0 0 "[ . 1 . 2]" 1
297 1 19 VAL QG 1 21 ASN HA 3.830 . 3.830 3.253 3.093 3.499 . 0 0 "[ . 1 . 2]" 1
298 1 19 VAL QG 1 21 ASN QD 3.600 . 3.600 2.624 1.780 3.678 0.078 16 0 "[ . 1 . 2]" 1
299 1 19 VAL QG 1 26 ALA H 4.560 . 4.560 4.335 4.237 4.403 . 0 0 "[ . 1 . 2]" 1
300 1 19 VAL QG 1 26 ALA HA 3.500 . 3.500 2.324 2.203 2.408 . 0 0 "[ . 1 . 2]" 1
301 1 19 VAL QG 1 27 TYR H 3.640 . 3.640 2.604 2.467 2.728 . 0 0 "[ . 1 . 2]" 1
302 1 19 VAL MG1 1 20 PHE H 4.050 . 4.050 4.019 3.924 4.098 0.048 2 0 "[ . 1 . 2]" 1
303 1 19 VAL MG1 1 26 ALA HA 4.100 . 4.100 4.153 4.061 4.213 0.113 9 0 "[ . 1 . 2]" 1
304 1 19 VAL MG1 1 26 ALA MB 3.140 . 3.140 3.259 3.206 3.323 0.183 9 0 "[ . 1 . 2]" 1
305 1 19 VAL MG1 1 27 TYR H 5.020 . 5.020 4.997 4.882 5.051 0.031 12 0 "[ . 1 . 2]" 1
306 1 19 VAL MG2 1 20 PHE H 4.050 . 4.050 2.437 2.274 2.666 . 0 0 "[ . 1 . 2]" 1
307 1 19 VAL MG2 1 26 ALA HA 4.100 . 4.100 2.336 2.212 2.422 . 0 0 "[ . 1 . 2]" 1
308 1 19 VAL MG2 1 26 ALA MB 3.140 . 3.140 1.818 1.783 1.853 . 0 0 "[ . 1 . 2]" 1
309 1 19 VAL MG2 1 27 TYR H 5.020 . 5.020 2.613 2.474 2.740 . 0 0 "[ . 1 . 2]" 1
310 1 20 PHE H 1 20 PHE HB2 3.800 . 3.800 2.465 2.373 2.568 . 0 0 "[ . 1 . 2]" 1
311 1 20 PHE H 1 20 PHE QB 3.250 . 3.250 2.385 2.243 2.520 . 0 0 "[ . 1 . 2]" 1
312 1 20 PHE H 1 20 PHE HB3 3.800 . 3.800 3.322 2.693 3.662 . 0 0 "[ . 1 . 2]" 1
313 1 20 PHE H 1 20 PHE HD1 4.250 . 4.250 3.027 2.009 4.440 0.190 8 0 "[ . 1 . 2]" 1
314 1 20 PHE H 1 21 ASN H 5.110 . 5.110 4.255 4.201 4.344 . 0 0 "[ . 1 . 2]" 1
315 1 20 PHE H 1 27 TYR H 3.990 . 3.990 3.639 3.414 3.956 . 0 0 "[ . 1 . 2]" 1
316 1 20 PHE HA 1 20 PHE HD1 3.880 . 3.880 3.597 2.725 4.147 0.267 12 0 "[ . 1 . 2]" 1
317 1 20 PHE QB 1 20 PHE HD1 3.190 . 3.190 2.344 2.170 2.428 . 0 0 "[ . 1 . 2]" 1
318 1 20 PHE QB 1 29 SER H 5.340 . 5.340 4.354 4.046 4.751 . 0 0 "[ . 1 . 2]" 1
319 1 20 PHE QB 1 29 SER HA 4.410 . 4.410 3.829 3.251 4.435 0.025 12 0 "[ . 1 . 2]" 1
320 1 20 PHE QB 1 33 ALA MB 3.570 . 3.570 2.806 2.573 2.960 . 0 0 "[ . 1 . 2]" 1
321 1 20 PHE HB2 1 33 ALA MB 4.230 . 4.230 3.487 2.858 4.322 0.092 2 0 "[ . 1 . 2]" 1
322 1 20 PHE HB3 1 33 ALA MB 4.230 . 4.230 3.072 2.852 3.445 . 0 0 "[ . 1 . 2]" 1
323 1 20 PHE HD1 1 21 ASN H 5.500 . 5.500 5.397 4.480 5.877 0.377 11 0 "[ . 1 . 2]" 1
324 1 20 PHE HD1 1 29 SER HA 5.500 . 5.500 3.639 2.594 5.592 0.092 8 0 "[ . 1 . 2]" 1
325 1 20 PHE HD1 1 30 GLN HA 4.460 . 4.460 4.414 3.763 4.622 0.162 18 0 "[ . 1 . 2]" 1
326 1 20 PHE HD1 1 30 GLN QB 4.760 . 4.760 4.258 3.130 4.996 0.236 11 0 "[ . 1 . 2]" 1
327 1 20 PHE HD2 1 30 GLN HA 5.320 . 5.320 3.733 2.820 4.961 . 0 0 "[ . 1 . 2]" 1
328 1 20 PHE QE 1 30 GLN HA 5.150 . 5.150 4.464 3.368 5.217 0.067 3 0 "[ . 1 . 2]" 1
329 1 20 PHE QE 1 30 GLN QB 4.430 . 4.430 3.309 2.743 4.644 0.214 12 0 "[ . 1 . 2]" 1
330 1 20 PHE QE 1 30 GLN QG 4.210 . 4.210 3.788 2.796 4.314 0.104 5 0 "[ . 1 . 2]" 1
331 1 21 ASN H 1 21 ASN QB 3.650 . 3.650 2.388 2.302 2.477 . 0 0 "[ . 1 . 2]" 1
332 1 21 ASN HA 1 22 HIS QB 4.810 . 4.810 4.015 3.949 4.111 . 0 0 "[ . 1 . 2]" 1
333 1 21 ASN HA 1 26 ALA HA 3.620 . 3.620 2.931 2.781 3.214 . 0 0 "[ . 1 . 2]" 1
334 1 21 ASN HA 1 26 ALA MB 4.820 . 4.820 4.230 4.039 4.363 . 0 0 "[ . 1 . 2]" 1
335 1 21 ASN HA 1 27 TYR H 4.770 . 4.770 3.756 3.474 4.330 . 0 0 "[ . 1 . 2]" 1
336 1 21 ASN HA 1 27 TYR QD 4.700 . 4.700 3.770 3.295 4.549 . 0 0 "[ . 1 . 2]" 1
337 1 21 ASN QD 1 26 ALA MB 5.340 . 5.340 3.306 2.271 5.202 . 0 0 "[ . 1 . 2]" 1
338 1 22 HIS HA 1 22 HIS HD2 3.750 . 3.750 3.837 3.784 3.911 0.161 11 0 "[ . 1 . 2]" 1
339 1 22 HIS HA 1 23 ASP HA 4.420 . 4.420 4.315 4.289 4.341 . 0 0 "[ . 1 . 2]" 1
340 1 22 HIS HA 1 23 ASP HB2 4.650 . 4.650 4.471 4.345 4.573 . 0 0 "[ . 1 . 2]" 1
341 1 22 HIS QB 1 27 TYR QD 3.950 . 3.950 2.986 2.739 3.264 . 0 0 "[ . 1 . 2]" 1
342 1 22 HIS QB 1 33 ALA HA 4.060 . 4.060 2.964 2.773 3.075 . 0 0 "[ . 1 . 2]" 1
343 1 22 HIS QB 1 33 ALA MB 3.010 . 3.010 1.731 1.689 1.786 . 0 0 "[ . 1 . 2]" 1
344 1 22 HIS HB2 1 27 TYR QD 4.640 . 4.640 3.728 3.278 3.957 . 0 0 "[ . 1 . 2]" 1
345 1 22 HIS HB2 1 27 TYR QE 3.870 . 3.870 3.896 3.777 3.969 0.099 14 0 "[ . 1 . 2]" 1
346 1 22 HIS HB2 1 33 ALA HA 4.810 . 4.810 3.989 3.854 4.180 . 0 0 "[ . 1 . 2]" 1
347 1 22 HIS HB2 1 33 ALA MB 3.660 . 3.660 1.862 1.795 1.984 . 0 0 "[ . 1 . 2]" 1
348 1 22 HIS HB3 1 27 TYR QD 4.640 . 4.640 3.146 2.874 3.485 . 0 0 "[ . 1 . 2]" 1
349 1 22 HIS HB3 1 27 TYR QE 3.870 . 3.870 2.371 2.235 2.559 . 0 0 "[ . 1 . 2]" 1
350 1 22 HIS HB3 1 33 ALA HA 4.810 . 4.810 3.058 2.834 3.165 . 0 0 "[ . 1 . 2]" 1
351 1 22 HIS HB3 1 33 ALA MB 3.660 . 3.660 2.074 1.964 2.228 . 0 0 "[ . 1 . 2]" 1
352 1 22 HIS HD2 1 23 ASP HB2 3.630 . 3.630 2.325 2.078 3.148 . 0 0 "[ . 1 . 2]" 1
353 1 22 HIS HD2 1 33 ALA MB 4.290 . 4.290 4.264 3.830 4.397 0.107 5 0 "[ . 1 . 2]" 1
354 1 22 HIS HE1 1 34 GLU QG 4.330 . 4.330 3.430 2.121 4.330 0.000 20 0 "[ . 1 . 2]" 1
355 1 23 ASP HA 1 24 GLY QA 4.930 . 4.930 4.043 4.019 4.068 . 0 0 "[ . 1 . 2]" 1
356 1 23 ASP HA 1 25 GLU H 4.980 . 4.980 4.502 4.431 4.581 . 0 0 "[ . 1 . 2]" 1
357 1 23 ASP HB2 1 24 GLY H 5.500 . 5.500 4.444 4.029 4.524 . 0 0 "[ . 1 . 2]" 1
358 1 23 ASP HB3 1 25 GLU H 5.180 . 5.180 3.634 3.453 4.436 . 0 0 "[ . 1 . 2]" 1
359 1 24 GLY H 1 25 GLU H 3.800 . 3.800 2.472 2.405 2.530 . 0 0 "[ . 1 . 2]" 1
360 1 24 GLY QA 1 25 GLU QG 5.340 . 5.340 4.899 4.701 5.117 . 0 0 "[ . 1 . 2]" 1
361 1 25 GLU H 1 25 GLU HB2 3.910 . 3.910 2.339 2.258 2.435 . 0 0 "[ . 1 . 2]" 1
362 1 25 GLU H 1 25 GLU HB3 3.810 . 3.810 3.563 3.440 3.644 . 0 0 "[ . 1 . 2]" 1
363 1 25 GLU H 1 25 GLU QG 4.150 . 4.150 3.809 3.667 3.921 . 0 0 "[ . 1 . 2]" 1
364 1 25 GLU H 1 27 TYR QE 4.130 . 4.130 3.446 3.120 3.908 . 0 0 "[ . 1 . 2]" 1
365 1 25 GLU H 1 33 ALA MB 5.500 . 5.500 5.634 5.578 5.698 0.198 16 0 "[ . 1 . 2]" 1
366 1 25 GLU HA 1 25 GLU QG 3.480 . 3.480 2.349 2.252 2.402 . 0 0 "[ . 1 . 2]" 1
367 1 25 GLU HA 1 26 ALA H 2.790 . 2.790 2.280 2.188 2.398 . 0 0 "[ . 1 . 2]" 1
368 1 25 GLU HA 1 26 ALA MB 3.990 . 3.990 3.872 3.852 3.909 . 0 0 "[ . 1 . 2]" 1
369 1 25 GLU HB2 1 25 GLU QG 2.610 . 2.610 2.347 2.314 2.415 . 0 0 "[ . 1 . 2]" 1
370 1 25 GLU HB2 1 26 ALA H 4.230 . 4.230 3.898 3.669 4.141 . 0 0 "[ . 1 . 2]" 1
371 1 25 GLU HB2 1 27 TYR QE 3.800 . 3.800 2.206 2.054 2.399 . 0 0 "[ . 1 . 2]" 1
372 1 25 GLU HB3 1 25 GLU QG 2.680 . 2.680 2.150 2.133 2.156 . 0 0 "[ . 1 . 2]" 1
373 1 25 GLU HB3 1 26 ALA H 3.220 . 3.220 2.572 2.249 2.935 . 0 0 "[ . 1 . 2]" 1
374 1 25 GLU HB3 1 27 TYR QD 4.330 . 4.330 3.764 3.452 4.011 . 0 0 "[ . 1 . 2]" 1
375 1 25 GLU HB3 1 27 TYR QE 3.820 . 3.820 2.887 2.380 3.259 . 0 0 "[ . 1 . 2]" 1
376 1 25 GLU QG 1 26 ALA H 3.440 . 3.440 3.291 3.042 3.467 0.027 16 0 "[ . 1 . 2]" 1
377 1 25 GLU QG 1 26 ALA MB 4.730 . 4.730 4.803 4.664 4.927 0.197 16 0 "[ . 1 . 2]" 1
378 1 25 GLU QG 1 27 TYR QD 4.990 . 4.990 4.986 4.714 5.076 0.086 10 0 "[ . 1 . 2]" 1
379 1 25 GLU QG 1 27 TYR QE 4.000 . 4.000 3.717 3.459 3.850 . 0 0 "[ . 1 . 2]" 1
380 1 26 ALA H 1 26 ALA MB 2.840 . 2.840 2.281 2.246 2.355 . 0 0 "[ . 1 . 2]" 1
381 1 26 ALA HA 1 27 TYR H 2.620 . 2.620 2.182 2.169 2.195 . 0 0 "[ . 1 . 2]" 1
382 1 26 ALA HA 1 27 TYR QD 3.830 . 3.830 3.665 3.499 3.864 0.034 16 0 "[ . 1 . 2]" 1
383 1 26 ALA MB 1 27 TYR H 3.390 . 3.390 3.314 3.209 3.387 . 0 0 "[ . 1 . 2]" 1
384 1 26 ALA MB 1 27 TYR HA 4.730 . 4.730 4.108 4.029 4.185 . 0 0 "[ . 1 . 2]" 1
385 1 27 TYR H 1 27 TYR HB2 3.210 . 3.210 2.606 2.516 2.687 . 0 0 "[ . 1 . 2]" 1
386 1 27 TYR H 1 27 TYR HB3 4.050 . 4.050 3.737 3.687 3.779 . 0 0 "[ . 1 . 2]" 1
387 1 27 TYR H 1 27 TYR QD 3.350 . 3.350 2.609 2.449 2.849 . 0 0 "[ . 1 . 2]" 1
388 1 27 TYR H 1 27 TYR QE 5.500 . 5.500 4.665 4.517 4.850 . 0 0 "[ . 1 . 2]" 1
389 1 27 TYR H 1 28 CYS H 4.970 . 4.970 4.488 4.439 4.529 . 0 0 "[ . 1 . 2]" 1
390 1 27 TYR H 1 29 SER H 5.500 . 5.500 5.008 4.661 5.344 . 0 0 "[ . 1 . 2]" 1
391 1 27 TYR H 1 33 ALA H 5.500 . 5.500 5.662 5.602 5.725 0.225 16 0 "[ . 1 . 2]" 1
392 1 27 TYR H 1 33 ALA MB 4.260 . 4.260 3.905 3.821 3.982 . 0 0 "[ . 1 . 2]" 1
393 1 27 TYR HA 1 27 TYR QD 3.680 . 3.680 3.034 2.931 3.115 . 0 0 "[ . 1 . 2]" 1
394 1 27 TYR HA 1 28 CYS H 2.970 . 2.970 2.320 2.253 2.379 . 0 0 "[ . 1 . 2]" 1
395 1 27 TYR HA 1 29 SER H 4.210 . 4.210 4.055 3.941 4.219 0.009 15 0 "[ . 1 . 2]" 1
396 1 27 TYR HB2 1 28 CYS H 4.100 . 4.100 3.774 3.696 3.893 . 0 0 "[ . 1 . 2]" 1
397 1 27 TYR HB2 1 29 SER H 3.850 . 3.850 3.290 2.954 3.731 . 0 0 "[ . 1 . 2]" 1
398 1 27 TYR HB2 1 32 CYS H 5.500 . 5.500 4.812 4.651 5.022 . 0 0 "[ . 1 . 2]" 1
399 1 27 TYR HB2 1 33 ALA H 4.350 . 4.350 3.126 3.037 3.263 . 0 0 "[ . 1 . 2]" 1
400 1 27 TYR HB2 1 33 ALA HA 4.290 . 4.290 3.622 3.315 3.822 . 0 0 "[ . 1 . 2]" 1
401 1 27 TYR HB2 1 33 ALA MB 3.690 . 3.690 2.271 2.096 2.407 . 0 0 "[ . 1 . 2]" 1
402 1 27 TYR HB3 1 28 CYS H 3.420 . 3.420 2.708 2.570 2.848 . 0 0 "[ . 1 . 2]" 1
403 1 27 TYR HB3 1 28 CYS HA 5.500 . 5.500 4.903 4.796 4.973 . 0 0 "[ . 1 . 2]" 1
404 1 27 TYR HB3 1 28 CYS QB 5.210 . 5.210 4.888 4.713 4.994 . 0 0 "[ . 1 . 2]" 1
405 1 27 TYR HB3 1 29 SER H 3.030 . 3.030 2.698 2.482 2.923 . 0 0 "[ . 1 . 2]" 1
406 1 27 TYR HB3 1 32 CYS H 5.250 . 5.250 4.084 3.992 4.265 . 0 0 "[ . 1 . 2]" 1
407 1 27 TYR HB3 1 33 ALA HA 4.720 . 4.720 4.024 3.679 4.275 . 0 0 "[ . 1 . 2]" 1
408 1 27 TYR HB3 1 33 ALA MB 3.980 . 3.980 3.425 3.188 3.633 . 0 0 "[ . 1 . 2]" 1
409 1 27 TYR QD 1 28 CYS H 4.440 . 4.440 4.016 3.828 4.155 . 0 0 "[ . 1 . 2]" 1
410 1 27 TYR QD 1 32 CYS HA 5.190 . 5.190 4.385 4.261 4.537 . 0 0 "[ . 1 . 2]" 1
411 1 27 TYR QD 1 32 CYS HB2 4.430 . 4.430 2.874 2.416 3.233 . 0 0 "[ . 1 . 2]" 1
412 1 27 TYR QD 1 32 CYS HB3 3.350 . 3.350 2.100 1.984 2.301 . 0 0 "[ . 1 . 2]" 1
413 1 27 TYR QD 1 33 ALA HA 4.040 . 4.040 2.867 2.661 3.025 . 0 0 "[ . 1 . 2]" 1
414 1 27 TYR QD 1 33 ALA MB 3.430 . 3.430 2.371 2.249 2.451 . 0 0 "[ . 1 . 2]" 1
415 1 27 TYR QE 1 33 ALA HA 4.300 . 4.300 2.888 2.595 2.978 . 0 0 "[ . 1 . 2]" 1
416 1 27 TYR QE 1 33 ALA MB 4.150 . 4.150 3.296 3.214 3.437 . 0 0 "[ . 1 . 2]" 1
417 1 28 CYS H 1 28 CYS HB2 3.750 . 3.750 3.583 3.553 3.608 . 0 0 "[ . 1 . 2]" 1
418 1 28 CYS H 1 28 CYS HB3 3.750 . 3.750 2.584 2.484 2.710 . 0 0 "[ . 1 . 2]" 1
419 1 28 CYS H 1 29 SER H 3.340 . 3.340 2.575 2.459 2.697 . 0 0 "[ . 1 . 2]" 1
420 1 28 CYS HA 1 28 CYS QB 2.640 . 2.640 2.183 2.177 2.188 . 0 0 "[ . 1 . 2]" 1
421 1 28 CYS HA 1 44 HIS HE1 4.650 . 4.650 4.272 4.095 4.566 . 0 0 "[ . 1 . 2]" 1
422 1 28 CYS QB 1 44 HIS HE1 3.700 . 3.700 2.144 1.914 2.478 . 0 0 "[ . 1 . 2]" 1
423 1 28 CYS HB2 1 44 HIS HE1 4.430 . 4.430 2.157 1.923 2.497 . 0 0 "[ . 1 . 2]" 1
424 1 28 CYS HB3 1 44 HIS HE1 4.430 . 4.430 3.751 3.411 4.161 . 0 0 "[ . 1 . 2]" 1
425 1 29 SER H 1 31 ALA MB 5.500 . 5.500 5.101 4.879 5.481 . 0 0 "[ . 1 . 2]" 1
426 1 29 SER H 1 32 CYS H 5.130 . 5.130 3.832 3.722 3.918 . 0 0 "[ . 1 . 2]" 1
427 1 29 SER H 1 32 CYS HB2 3.320 . 3.320 3.031 2.720 3.332 0.012 9 0 "[ . 1 . 2]" 1
428 1 29 SER H 1 33 ALA MB 5.120 . 5.120 4.565 4.310 4.876 . 0 0 "[ . 1 . 2]" 1
429 1 29 SER QB 1 30 GLN QE 4.100 . 4.100 3.669 2.197 4.461 0.361 18 0 "[ . 1 . 2]" 1
430 1 29 SER QB 1 31 ALA H 4.060 . 4.060 2.757 2.393 3.284 . 0 0 "[ . 1 . 2]" 1
431 1 29 SER QB 1 31 ALA MB 4.110 . 4.110 3.084 2.744 3.423 . 0 0 "[ . 1 . 2]" 1
432 1 29 SER QB 1 32 CYS H 4.660 . 4.660 3.255 2.714 4.149 . 0 0 "[ . 1 . 2]" 1
433 1 29 SER QB 1 42 CYS HA 4.420 . 4.420 3.258 2.842 3.632 . 0 0 "[ . 1 . 2]" 1
434 1 29 SER QB 1 42 CYS QB 4.350 . 4.350 2.794 2.134 3.355 . 0 0 "[ . 1 . 2]" 1
435 1 29 SER QB 1 43 PRO QD 3.150 . 3.150 2.026 1.788 2.594 . 0 0 "[ . 1 . 2]" 1
436 1 29 SER HB2 1 31 ALA H 4.840 . 4.840 3.481 2.411 4.410 . 0 0 "[ . 1 . 2]" 1
437 1 29 SER HB2 1 31 ALA MB 4.750 . 4.750 3.877 2.950 4.518 . 0 0 "[ . 1 . 2]" 1
438 1 29 SER HB3 1 31 ALA H 4.840 . 4.840 3.452 2.738 4.314 . 0 0 "[ . 1 . 2]" 1
439 1 29 SER HB3 1 31 ALA MB 4.750 . 4.750 3.584 2.787 4.506 . 0 0 "[ . 1 . 2]" 1
440 1 30 GLN HA 1 30 GLN QE 5.340 . 5.340 4.417 3.610 4.994 . 0 0 "[ . 1 . 2]" 1
441 1 30 GLN HA 1 30 GLN QG 3.480 . 3.480 3.270 2.417 3.495 0.015 13 0 "[ . 1 . 2]" 1
442 1 30 GLN HA 1 31 ALA HA 4.940 . 4.940 4.822 4.778 4.891 . 0 0 "[ . 1 . 2]" 1
443 1 30 GLN HA 1 32 CYS H 4.520 . 4.520 4.428 4.167 4.563 0.043 8 0 "[ . 1 . 2]" 1
444 1 30 GLN HA 1 33 ALA H 4.610 . 4.610 3.228 2.993 3.466 . 0 0 "[ . 1 . 2]" 1
445 1 30 GLN HA 1 33 ALA MB 3.000 . 3.000 2.201 2.009 2.571 . 0 0 "[ . 1 . 2]" 1
446 1 30 GLN HA 1 34 GLU H 4.930 . 4.930 3.959 3.628 4.339 . 0 0 "[ . 1 . 2]" 1
447 1 30 GLN HA 1 34 GLU QG 5.020 . 5.020 4.119 3.621 4.500 . 0 0 "[ . 1 . 2]" 1
448 1 30 GLN QB 1 31 ALA H 3.680 . 3.680 3.465 2.551 3.740 0.060 3 0 "[ . 1 . 2]" 1
449 1 30 GLN QB 1 32 CYS H 5.500 . 5.500 5.294 4.735 5.517 0.017 3 0 "[ . 1 . 2]" 1
450 1 30 GLN QE 1 31 ALA MB 4.620 . 4.620 3.431 2.488 4.439 . 0 0 "[ . 1 . 2]" 1
451 1 30 GLN QE 1 32 CYS H 5.290 . 5.290 5.337 5.039 5.573 0.283 12 0 "[ . 1 . 2]" 1
452 1 30 GLN QE 1 43 PRO QD 4.690 . 4.690 4.449 3.831 4.837 0.147 17 0 "[ . 1 . 2]" 1
453 1 30 GLN QG 1 31 ALA H 4.900 . 4.900 3.009 2.478 4.342 . 0 0 "[ . 1 . 2]" 1
454 1 31 ALA H 1 31 ALA MB 3.130 . 3.130 2.250 2.221 2.276 . 0 0 "[ . 1 . 2]" 1
455 1 31 ALA H 1 32 CYS H 3.950 . 3.950 2.780 2.672 2.866 . 0 0 "[ . 1 . 2]" 1
456 1 31 ALA H 1 33 ALA H 5.500 . 5.500 3.999 3.835 4.321 . 0 0 "[ . 1 . 2]" 1
457 1 31 ALA HA 1 34 GLU H 4.730 . 4.730 3.539 3.412 3.718 . 0 0 "[ . 1 . 2]" 1
458 1 31 ALA HA 1 34 GLU HB2 3.950 . 3.950 2.901 2.760 3.078 . 0 0 "[ . 1 . 2]" 1
459 1 31 ALA HA 1 34 GLU QG 4.650 . 4.650 3.954 3.180 4.562 . 0 0 "[ . 1 . 2]" 1
460 1 31 ALA HA 1 40 GLU QG 4.910 . 4.910 3.477 2.591 4.095 . 0 0 "[ . 1 . 2]" 1
461 1 31 ALA MB 1 32 CYS H 2.990 . 2.990 2.437 2.324 2.591 . 0 0 "[ . 1 . 2]" 1
462 1 31 ALA MB 1 32 CYS HA 4.670 . 4.670 3.865 3.791 3.909 . 0 0 "[ . 1 . 2]" 1
463 1 31 ALA MB 1 32 CYS HB2 4.690 . 4.690 4.421 4.339 4.504 . 0 0 "[ . 1 . 2]" 1
464 1 31 ALA MB 1 34 GLU HB2 5.140 . 5.140 4.407 4.183 4.612 . 0 0 "[ . 1 . 2]" 1
465 1 31 ALA MB 1 34 GLU HB3 5.500 . 5.500 5.634 5.520 5.761 0.261 19 0 "[ . 1 . 2]" 1
466 1 31 ALA MB 1 35 GLN H 5.500 . 5.500 5.465 5.394 5.524 0.024 13 0 "[ . 1 . 2]" 1
467 1 31 ALA MB 1 36 HIS H 4.400 . 4.400 4.184 3.940 4.453 0.053 3 0 "[ . 1 . 2]" 1
468 1 31 ALA MB 1 36 HIS HE1 4.260 . 4.260 3.955 3.473 4.264 0.004 10 0 "[ . 1 . 2]" 1
469 1 31 ALA MB 1 37 PRO QD 4.540 . 4.540 3.780 3.185 4.346 . 0 0 "[ . 1 . 2]" 1
470 1 31 ALA MB 1 40 GLU HB2 4.510 . 4.510 3.663 1.924 4.402 . 0 0 "[ . 1 . 2]" 1
471 1 31 ALA MB 1 40 GLU QB 3.890 . 3.890 3.484 1.890 3.990 0.100 2 0 "[ . 1 . 2]" 1
472 1 31 ALA MB 1 40 GLU HB3 4.510 . 4.510 4.448 2.767 4.721 0.211 18 0 "[ . 1 . 2]" 1
473 1 31 ALA MB 1 40 GLU HG2 3.700 . 3.700 3.017 2.062 3.768 0.068 19 0 "[ . 1 . 2]" 1
474 1 31 ALA MB 1 40 GLU QG 3.190 . 3.190 2.193 1.977 3.279 0.089 19 0 "[ . 1 . 2]" 1
475 1 31 ALA MB 1 40 GLU HG3 3.700 . 3.700 2.386 2.074 3.606 . 0 0 "[ . 1 . 2]" 1
476 1 31 ALA MB 1 42 CYS HA 3.450 . 3.450 2.882 2.471 3.259 . 0 0 "[ . 1 . 2]" 1
477 1 31 ALA MB 1 42 CYS QB 5.310 . 5.310 3.484 2.982 4.064 . 0 0 "[ . 1 . 2]" 1
478 1 31 ALA MB 1 43 PRO HD2 4.620 . 4.620 4.369 4.011 4.713 0.093 19 0 "[ . 1 . 2]" 1
479 1 31 ALA MB 1 43 PRO QD 3.830 . 3.830 3.522 3.193 4.040 0.210 19 0 "[ . 1 . 2]" 1
480 1 31 ALA MB 1 43 PRO HD3 4.620 . 4.620 3.735 3.335 4.395 . 0 0 "[ . 1 . 2]" 1
481 1 32 CYS H 1 32 CYS HB2 2.910 . 2.910 2.400 2.326 2.475 . 0 0 "[ . 1 . 2]" 1
482 1 32 CYS H 1 32 CYS HB3 3.680 . 3.680 3.597 3.569 3.612 . 0 0 "[ . 1 . 2]" 1
483 1 32 CYS H 1 33 ALA H 3.120 . 3.120 2.595 2.505 2.636 . 0 0 "[ . 1 . 2]" 1
484 1 32 CYS H 1 34 GLU H 4.750 . 4.750 4.096 3.911 4.280 . 0 0 "[ . 1 . 2]" 1
485 1 32 CYS HA 1 35 GLN H 4.390 . 4.390 3.537 3.391 3.667 . 0 0 "[ . 1 . 2]" 1
486 1 32 CYS HA 1 36 HIS H 4.410 . 4.410 3.500 3.337 3.723 . 0 0 "[ . 1 . 2]" 1
487 1 32 CYS HA 1 36 HIS HE1 4.650 . 4.650 4.030 3.653 4.472 . 0 0 "[ . 1 . 2]" 1
488 1 32 CYS HB2 1 33 ALA H 3.660 . 3.660 2.692 2.597 2.766 . 0 0 "[ . 1 . 2]" 1
489 1 32 CYS HB3 1 33 ALA MB 4.900 . 4.900 4.765 4.612 4.925 0.025 9 0 "[ . 1 . 2]" 1
490 1 33 ALA H 1 33 ALA MB 2.790 . 2.790 2.211 2.193 2.224 . 0 0 "[ . 1 . 2]" 1
491 1 33 ALA H 1 34 GLU H 3.250 . 3.250 2.720 2.657 2.767 . 0 0 "[ . 1 . 2]" 1
492 1 33 ALA H 1 35 GLN H 4.240 . 4.240 3.980 3.888 4.055 . 0 0 "[ . 1 . 2]" 1
493 1 33 ALA H 1 36 HIS H 5.500 . 5.500 5.164 4.908 5.381 . 0 0 "[ . 1 . 2]" 1
494 1 33 ALA HA 1 34 GLU H 3.490 . 3.490 3.499 3.470 3.519 0.029 14 0 "[ . 1 . 2]" 1
495 1 33 ALA HA 1 35 GLN H 3.920 . 3.920 3.649 3.581 3.747 . 0 0 "[ . 1 . 2]" 1
496 1 33 ALA HA 1 35 GLN HA 5.330 . 5.330 5.262 5.114 5.414 0.084 8 0 "[ . 1 . 2]" 1
497 1 33 ALA MB 1 34 GLU H 3.120 . 3.120 2.556 2.394 2.733 . 0 0 "[ . 1 . 2]" 1
498 1 33 ALA MB 1 34 GLU HA 4.030 . 4.030 3.863 3.808 3.901 . 0 0 "[ . 1 . 2]" 1
499 1 33 ALA MB 1 34 GLU HB3 5.360 . 5.360 5.137 5.044 5.238 . 0 0 "[ . 1 . 2]" 1
500 1 33 ALA MB 1 34 GLU HG2 4.670 . 4.670 3.554 3.157 4.248 . 0 0 "[ . 1 . 2]" 1
501 1 33 ALA MB 1 34 GLU HG3 4.670 . 4.670 4.000 2.839 4.685 0.015 14 0 "[ . 1 . 2]" 1
502 1 34 GLU H 1 34 GLU HB2 2.910 . 2.910 2.251 2.174 2.429 . 0 0 "[ . 1 . 2]" 1
503 1 34 GLU H 1 34 GLU HG2 4.250 . 4.250 3.154 2.598 3.951 . 0 0 "[ . 1 . 2]" 1
504 1 34 GLU H 1 34 GLU QG 3.700 . 3.700 2.729 2.211 3.032 . 0 0 "[ . 1 . 2]" 1
505 1 34 GLU H 1 34 GLU HG3 4.250 . 4.250 3.360 2.234 3.887 . 0 0 "[ . 1 . 2]" 1
506 1 34 GLU H 1 35 GLN HG3 4.990 . 4.990 4.908 4.587 5.050 0.060 20 0 "[ . 1 . 2]" 1
507 1 34 GLU H 1 36 HIS H 4.390 . 4.390 3.637 3.513 3.763 . 0 0 "[ . 1 . 2]" 1
508 1 34 GLU H 1 37 PRO QD 4.800 . 4.800 3.905 3.655 4.231 . 0 0 "[ . 1 . 2]" 1
509 1 34 GLU HA 1 34 GLU HG2 3.890 . 3.890 2.509 2.196 2.737 . 0 0 "[ . 1 . 2]" 1
510 1 34 GLU HA 1 34 GLU QG 3.050 . 3.050 2.448 2.155 2.667 . 0 0 "[ . 1 . 2]" 1
511 1 34 GLU HA 1 34 GLU HG3 3.890 . 3.890 3.451 2.804 3.747 . 0 0 "[ . 1 . 2]" 1
512 1 34 GLU HA 1 35 GLN HG2 5.000 . 5.000 5.070 4.972 5.147 0.147 14 0 "[ . 1 . 2]" 1
513 1 34 GLU HA 1 35 GLN HG3 4.310 . 4.310 3.543 3.241 3.833 . 0 0 "[ . 1 . 2]" 1
514 1 34 GLU HB2 1 35 GLN H 4.280 . 4.280 3.673 3.487 3.875 . 0 0 "[ . 1 . 2]" 1
515 1 34 GLU HB2 1 36 HIS H 4.240 . 4.240 3.340 2.993 3.670 . 0 0 "[ . 1 . 2]" 1
516 1 34 GLU HB2 1 36 HIS HA 4.730 . 4.730 4.226 3.829 4.604 . 0 0 "[ . 1 . 2]" 1
517 1 34 GLU HB2 1 37 PRO QD 3.320 . 3.320 2.334 2.089 2.684 . 0 0 "[ . 1 . 2]" 1
518 1 34 GLU HB2 1 37 PRO HG3 4.340 . 4.340 3.096 2.579 3.635 . 0 0 "[ . 1 . 2]" 1
519 1 34 GLU HB3 1 36 HIS H 4.770 . 4.770 3.881 3.639 4.183 . 0 0 "[ . 1 . 2]" 1
520 1 34 GLU HB3 1 37 PRO QD 3.020 . 3.020 2.016 1.808 2.334 . 0 0 "[ . 1 . 2]" 1
521 1 34 GLU QG 1 37 PRO QD 4.520 . 4.520 3.697 3.476 4.014 . 0 0 "[ . 1 . 2]" 1
522 1 35 GLN H 1 35 GLN HA 2.560 . 2.560 2.261 2.249 2.275 . 0 0 "[ . 1 . 2]" 1
523 1 35 GLN H 1 35 GLN HG2 3.380 . 3.380 3.341 3.173 3.470 0.090 19 0 "[ . 1 . 2]" 1
524 1 35 GLN H 1 35 GLN HG3 4.510 . 4.510 2.933 2.594 3.165 . 0 0 "[ . 1 . 2]" 1
525 1 35 GLN H 1 36 HIS H 3.090 . 3.090 2.594 2.524 2.661 . 0 0 "[ . 1 . 2]" 1
526 1 35 GLN H 1 36 HIS HD2 4.450 . 4.450 4.314 3.807 4.564 0.114 2 0 "[ . 1 . 2]" 1
527 1 35 GLN H 1 37 PRO QD 5.140 . 5.140 3.913 3.791 4.168 . 0 0 "[ . 1 . 2]" 1
528 1 35 GLN HA 1 35 GLN HG2 3.410 . 3.410 2.586 2.492 2.694 . 0 0 "[ . 1 . 2]" 1
529 1 35 GLN HA 1 35 GLN HG3 3.630 . 3.630 3.196 2.984 3.352 . 0 0 "[ . 1 . 2]" 1
530 1 35 GLN HA 1 36 HIS HD2 3.530 . 3.530 2.752 2.540 2.951 . 0 0 "[ . 1 . 2]" 1
531 1 35 GLN QB 1 36 HIS HD2 5.240 . 5.240 4.065 3.880 4.279 . 0 0 "[ . 1 . 2]" 1
532 1 35 GLN HG2 1 36 HIS HD2 5.500 . 5.500 5.163 5.011 5.340 . 0 0 "[ . 1 . 2]" 1
533 1 36 HIS H 1 36 HIS HA 2.570 . 2.570 2.266 2.254 2.280 . 0 0 "[ . 1 . 2]" 1
534 1 36 HIS H 1 36 HIS HB3 4.180 . 4.180 4.029 3.972 4.065 . 0 0 "[ . 1 . 2]" 1
535 1 36 HIS H 1 36 HIS HD2 3.780 . 3.780 3.286 2.801 3.560 . 0 0 "[ . 1 . 2]" 1
536 1 36 HIS H 1 37 PRO QD 2.960 . 2.960 2.457 2.404 2.621 . 0 0 "[ . 1 . 2]" 1
537 1 36 HIS HA 1 37 PRO QD 2.920 . 2.920 2.071 2.009 2.150 . 0 0 "[ . 1 . 2]" 1
538 1 36 HIS HA 1 37 PRO HG2 5.500 . 5.500 4.267 4.007 4.385 . 0 0 "[ . 1 . 2]" 1
539 1 36 HIS HA 1 37 PRO HG3 5.500 . 5.500 4.673 4.592 4.751 . 0 0 "[ . 1 . 2]" 1
540 1 36 HIS HA 1 39 GLY H 4.900 . 4.900 3.614 3.207 3.966 . 0 0 "[ . 1 . 2]" 1
541 1 36 HIS HA 1 40 GLU QG 4.100 . 4.100 3.442 2.582 4.143 0.043 2 0 "[ . 1 . 2]" 1
542 1 36 HIS HB2 1 37 PRO HA 5.330 . 5.330 5.060 4.930 5.276 . 0 0 "[ . 1 . 2]" 1
543 1 36 HIS HB2 1 50 GLU QB 5.500 . 5.500 5.212 4.384 5.561 0.061 19 0 "[ . 1 . 2]" 1
544 1 36 HIS HB3 1 37 PRO QD 4.610 . 4.610 4.057 3.951 4.149 . 0 0 "[ . 1 . 2]" 1
545 1 36 HIS HB3 1 39 GLY H 4.260 . 4.260 3.191 3.026 3.427 . 0 0 "[ . 1 . 2]" 1
546 1 36 HIS HB3 1 39 GLY HA2 4.400 . 4.400 2.597 2.129 2.861 . 0 0 "[ . 1 . 2]" 1
547 1 36 HIS HB3 1 39 GLY QA 3.800 . 3.800 2.577 2.119 2.832 . 0 0 "[ . 1 . 2]" 1
548 1 36 HIS HB3 1 39 GLY HA3 4.400 . 4.400 4.308 3.887 4.529 0.129 15 0 "[ . 1 . 2]" 1
549 1 36 HIS HB3 1 40 GLU QB 5.340 . 5.340 5.371 4.785 5.509 0.169 9 0 "[ . 1 . 2]" 1
550 1 36 HIS HB3 1 50 GLU QB 4.790 . 4.790 4.507 3.685 4.842 0.052 1 0 "[ . 1 . 2]" 1
551 1 36 HIS HE1 1 41 PRO HA 3.880 . 3.880 2.512 2.131 3.056 . 0 0 "[ . 1 . 2]" 1
552 1 36 HIS HE1 1 41 PRO QB 5.340 . 5.340 4.112 3.720 4.694 . 0 0 "[ . 1 . 2]" 1
553 1 36 HIS HE1 1 42 CYS H 4.190 . 4.190 3.434 3.175 3.883 . 0 0 "[ . 1 . 2]" 1
554 1 36 HIS HE1 1 42 CYS HA 5.460 . 5.460 4.951 4.694 5.560 0.100 19 0 "[ . 1 . 2]" 1
555 1 36 HIS HE1 1 42 CYS QB 4.030 . 4.030 3.930 3.672 4.218 0.188 19 0 "[ . 1 . 2]" 1
556 1 36 HIS HE1 1 50 GLU HA 3.970 . 3.970 3.783 2.753 4.197 0.227 11 0 "[ . 1 . 2]" 1
557 1 36 HIS HE1 1 50 GLU QB 4.200 . 4.200 3.279 2.101 4.336 0.136 4 0 "[ . 1 . 2]" 1
558 1 36 HIS HE1 1 50 GLU QG 3.850 . 3.850 3.775 3.417 4.025 0.175 19 0 "[ . 1 . 2]" 1
559 1 37 PRO HB2 1 38 ASN HA 4.700 . 4.700 4.223 4.030 4.468 . 0 0 "[ . 1 . 2]" 1
560 1 37 PRO HG2 1 38 ASN HA 4.720 . 4.720 4.411 3.922 4.806 0.086 19 0 "[ . 1 . 2]" 1
561 1 37 PRO HG2 1 38 ASN HD21 5.030 . 5.030 3.986 2.666 5.116 0.086 11 0 "[ . 1 . 2]" 1
562 1 37 PRO HG2 1 38 ASN HD22 5.360 . 5.360 4.721 3.613 5.750 0.390 18 0 "[ . 1 . 2]" 1
563 1 38 ASN HA 1 38 ASN HD21 2.790 . 2.790 2.311 1.763 3.072 0.282 13 0 "[ . 1 . 2]" 1
564 1 38 ASN HA 1 38 ASN HD22 3.580 . 3.580 3.533 3.174 3.737 0.157 11 0 "[ . 1 . 2]" 1
565 1 38 ASN HA 1 39 GLY H 3.520 . 3.520 3.201 3.006 3.446 . 0 0 "[ . 1 . 2]" 1
566 1 39 GLY H 1 40 GLU QB 5.340 . 5.340 4.751 4.294 5.024 . 0 0 "[ . 1 . 2]" 1
567 1 39 GLY H 1 50 GLU QG 5.340 . 5.340 4.652 4.204 5.482 0.142 19 0 "[ . 1 . 2]" 1
568 1 39 GLY QA 1 50 GLU QB 4.440 . 4.440 4.567 4.430 4.773 0.333 16 0 "[ . 1 . 2]" 1
569 1 40 GLU HA 1 40 GLU HG2 4.150 . 4.150 3.670 3.461 3.746 . 0 0 "[ . 1 . 2]" 1
570 1 40 GLU HA 1 40 GLU QG 3.550 . 3.550 3.352 3.198 3.499 . 0 0 "[ . 1 . 2]" 1
571 1 40 GLU HA 1 40 GLU HG3 4.150 . 4.150 3.896 3.752 4.253 0.103 9 0 "[ . 1 . 2]" 1
572 1 40 GLU HA 1 41 PRO QB 4.870 . 4.870 4.601 4.538 4.750 . 0 0 "[ . 1 . 2]" 1
573 1 40 GLU HA 1 41 PRO HD2 2.890 . 2.890 2.293 1.966 2.917 0.027 6 0 "[ . 1 . 2]" 1
574 1 40 GLU HA 1 41 PRO HD3 2.810 . 2.810 2.164 1.784 2.473 . 0 0 "[ . 1 . 2]" 1
575 1 40 GLU HA 1 41 PRO QG 4.540 . 4.540 3.824 3.660 3.938 . 0 0 "[ . 1 . 2]" 1
576 1 40 GLU HA 1 50 GLU QG 4.080 . 4.080 3.298 2.957 4.093 0.013 15 0 "[ . 1 . 2]" 1
577 1 40 GLU QB 1 41 PRO HD2 3.050 . 3.050 2.781 2.111 3.339 0.289 9 0 "[ . 1 . 2]" 1
578 1 40 GLU QB 1 41 PRO HD3 4.190 . 4.190 3.676 3.019 4.150 . 0 0 "[ . 1 . 2]" 1
579 1 40 GLU HB2 1 41 PRO HD3 4.980 . 4.980 3.966 3.161 4.943 . 0 0 "[ . 1 . 2]" 1
580 1 40 GLU HB3 1 41 PRO HD3 4.980 . 4.980 4.416 3.825 4.861 . 0 0 "[ . 1 . 2]" 1
581 1 40 GLU QG 1 41 PRO HD2 4.880 . 4.880 4.367 3.638 4.893 0.013 9 0 "[ . 1 . 2]" 1
582 1 41 PRO HA 1 50 GLU HA 4.750 . 4.750 4.346 3.188 4.792 0.042 11 0 "[ . 1 . 2]" 1
583 1 41 PRO HA 1 50 GLU QB 3.540 . 3.540 2.663 1.943 3.636 0.096 17 0 "[ . 1 . 2]" 1
584 1 41 PRO HA 1 50 GLU QG 4.020 . 4.020 3.020 2.298 3.563 . 0 0 "[ . 1 . 2]" 1
585 1 41 PRO HD3 1 50 GLU QB 4.480 . 4.480 3.665 2.978 4.149 . 0 0 "[ . 1 . 2]" 1
586 1 41 PRO HD3 1 50 GLU QG 3.990 . 3.990 2.907 2.196 4.093 0.103 15 0 "[ . 1 . 2]" 1
587 1 42 CYS H 1 43 PRO HA 5.500 . 5.500 5.554 5.509 5.612 0.112 1 0 "[ . 1 . 2]" 1
588 1 42 CYS HA 1 43 PRO HA 4.760 . 4.760 4.416 4.393 4.451 . 0 0 "[ . 1 . 2]" 1
589 1 42 CYS HA 1 43 PRO HD2 3.220 . 3.220 2.598 2.423 3.115 . 0 0 "[ . 1 . 2]" 1
590 1 42 CYS HA 1 43 PRO QD 2.720 . 2.720 2.144 1.902 2.227 . 0 0 "[ . 1 . 2]" 1
591 1 42 CYS HA 1 43 PRO HD3 3.220 . 3.220 2.314 1.920 2.448 . 0 0 "[ . 1 . 2]" 1
592 1 42 CYS QB 1 43 PRO QD 3.270 . 3.270 1.997 1.923 2.262 . 0 0 "[ . 1 . 2]" 1
593 1 42 CYS QB 1 44 HIS H 4.510 . 4.510 3.803 3.569 3.951 . 0 0 "[ . 1 . 2]" 1
594 1 43 PRO HA 1 44 HIS HB2 5.250 . 5.250 5.279 5.229 5.334 0.084 9 0 "[ . 1 . 2]" 1
595 1 43 PRO QD 1 44 HIS H 4.650 . 4.650 3.847 3.654 3.994 . 0 0 "[ . 1 . 2]" 1
596 1 43 PRO QD 1 44 HIS HE1 5.350 . 5.350 4.109 3.715 4.372 . 0 0 "[ . 1 . 2]" 1
597 1 43 PRO QG 1 44 HIS H 5.500 . 5.500 4.237 3.969 4.757 . 0 0 "[ . 1 . 2]" 1
598 1 44 HIS H 1 44 HIS HB2 3.550 . 3.550 2.605 2.424 2.691 . 0 0 "[ . 1 . 2]" 1
599 1 44 HIS H 1 45 PRO HD2 4.730 . 4.730 4.863 4.747 5.003 0.273 18 0 "[ . 1 . 2]" 1
600 1 44 HIS HA 1 44 HIS HD2 3.440 . 3.440 3.332 2.985 3.587 0.147 4 0 "[ . 1 . 2]" 1
601 1 44 HIS HA 1 45 PRO HD2 2.940 . 2.940 2.241 2.129 2.557 . 0 0 "[ . 1 . 2]" 1
602 1 44 HIS HA 1 45 PRO HD3 3.250 . 3.250 2.305 2.192 2.411 . 0 0 "[ . 1 . 2]" 1
603 1 44 HIS HA 1 45 PRO QG 4.920 . 4.920 3.931 3.880 4.025 . 0 0 "[ . 1 . 2]" 1
604 1 44 HIS HB3 1 45 PRO HD2 4.450 . 4.450 3.284 2.742 3.695 . 0 0 "[ . 1 . 2]" 1
605 1 44 HIS HD2 1 45 PRO HD2 4.880 . 4.880 3.748 3.093 4.046 . 0 0 "[ . 1 . 2]" 1
606 1 44 HIS HD2 1 45 PRO HD3 5.040 . 5.040 4.942 4.424 5.124 0.084 3 0 "[ . 1 . 2]" 1
607 1 45 PRO HD2 1 46 ASP QB 4.430 . 4.430 3.982 3.603 4.503 0.073 11 0 "[ . 1 . 2]" 1
608 1 45 PRO QG 1 46 ASP HA 4.890 . 4.890 4.137 3.918 4.309 . 0 0 "[ . 1 . 2]" 1
609 1 45 PRO QG 1 46 ASP QB 4.940 . 4.940 4.099 3.243 4.875 . 0 0 "[ . 1 . 2]" 1
610 1 46 ASP H 1 47 CYS H 4.400 . 4.400 2.390 2.161 2.637 . 0 0 "[ . 1 . 2]" 1
611 1 47 CYS H 1 47 CYS QB 3.850 . 3.850 2.908 2.457 3.210 . 0 0 "[ . 1 . 2]" 1
612 1 47 CYS H 1 48 HIS QB 5.340 . 5.340 5.091 4.593 5.550 0.210 13 0 "[ . 1 . 2]" 1
613 1 47 CYS HA 1 48 HIS HB2 5.500 . 5.500 4.564 3.984 5.677 0.177 5 0 "[ . 1 . 2]" 1
614 1 47 CYS HA 1 48 HIS QB 4.620 . 4.620 4.039 3.796 4.437 . 0 0 "[ . 1 . 2]" 1
615 1 47 CYS HA 1 48 HIS HB3 5.500 . 5.500 4.786 4.146 5.614 0.114 13 0 "[ . 1 . 2]" 1
616 1 48 HIS QB 1 48 HIS HD2 3.480 . 3.480 2.863 2.704 3.292 . 0 0 "[ . 1 . 2]" 1
617 1 48 HIS QB 1 48 HIS HE1 4.460 . 4.460 4.406 4.346 4.462 0.002 1 0 "[ . 1 . 2]" 1
618 1 49 CYS H 1 49 CYS QB 3.620 . 3.620 2.617 2.420 2.814 . 0 0 "[ . 1 . 2]" 1
619 1 50 GLU QB 1 51 ARG H 4.360 . 4.360 2.806 2.114 3.923 . 0 0 "[ . 1 . 2]" 1
620 1 50 GLU QG 1 51 ARG H 4.240 . 4.240 3.438 1.813 4.250 0.010 5 0 "[ . 1 . 2]" 1
621 1 50 GLU QG 1 51 ARG HA 5.090 . 5.090 4.917 4.030 5.534 0.444 4 0 "[ . 1 . 2]" 1
622 1 50 GLU HG2 1 51 ARG H 4.830 . 4.830 3.856 1.819 4.841 0.011 5 0 "[ . 1 . 2]" 1
623 1 50 GLU HG3 1 51 ARG H 4.830 . 4.830 4.260 2.749 5.009 0.179 10 0 "[ . 1 . 2]" 1
624 1 51 ARG H 1 51 ARG QB 3.010 . 3.010 2.427 2.038 2.757 . 0 0 "[ . 1 . 2]" 1
625 1 51 ARG H 1 51 ARG QD 4.900 . 4.900 4.124 3.520 4.798 . 0 0 "[ . 1 . 2]" 1
626 1 51 ARG H 1 51 ARG QG 3.300 . 3.300 2.579 1.956 3.426 0.126 10 0 "[ . 1 . 2]" 1
627 1 51 ARG H 1 52 SER H 4.710 . 4.710 4.538 4.472 4.611 . 0 0 "[ . 1 . 2]" 1
628 1 51 ARG H 1 52 SER QB 5.500 . 5.500 5.373 4.733 6.159 0.659 19 1 "[ . 1 . +2]" 1
629 1 51 ARG HA 1 51 ARG QD 4.170 . 4.170 3.204 1.926 4.424 0.254 6 0 "[ . 1 . 2]" 1
630 1 51 ARG HA 1 51 ARG QG 3.500 . 3.500 2.985 2.352 3.495 . 0 0 "[ . 1 . 2]" 1
631 1 51 ARG HA 1 52 SER H 3.150 . 3.150 2.250 2.102 2.438 . 0 0 "[ . 1 . 2]" 1
632 1 51 ARG QB 1 52 SER H 3.740 . 3.740 2.819 2.306 3.403 . 0 0 "[ . 1 . 2]" 1
633 1 51 ARG QB 1 52 SER QB 4.680 . 4.680 4.133 3.317 4.869 0.189 1 0 "[ . 1 . 2]" 1
634 1 51 ARG QD 1 52 SER H 4.530 . 4.530 3.454 2.215 4.558 0.028 1 0 "[ . 1 . 2]" 1
635 1 51 ARG QD 1 52 SER HA 5.120 . 5.120 4.723 2.849 5.397 0.277 19 0 "[ . 1 . 2]" 1
636 1 51 ARG QG 1 52 SER H 4.450 . 4.450 3.996 3.218 4.413 . 0 0 "[ . 1 . 2]" 1
637 1 52 SER H 1 52 SER QB 3.680 . 3.680 3.037 2.202 3.408 . 0 0 "[ . 1 . 2]" 1
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