NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
397520 |
1szl   |
6175 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1szl
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 985
_Distance_constraint_stats_list.Viol_count 2137
_Distance_constraint_stats_list.Viol_total 2529.972
_Distance_constraint_stats_list.Viol_max 0.135
_Distance_constraint_stats_list.Viol_rms 0.0203
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0592
_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 SER 1.412 0.099 1 0 "[ . 1 . 2]"
1 3 GLU 4.330 0.101 18 0 "[ . 1 . 2]"
1 4 THR 4.658 0.099 1 0 "[ . 1 . 2]"
1 5 CYS 4.927 0.118 10 0 "[ . 1 . 2]"
1 6 ILE 5.150 0.131 12 0 "[ . 1 . 2]"
1 7 TYR 6.639 0.107 8 0 "[ . 1 . 2]"
1 8 SER 4.369 0.109 20 0 "[ . 1 . 2]"
1 9 ASN 1.714 0.105 11 0 "[ . 1 . 2]"
1 10 TRP 8.587 0.105 11 0 "[ . 1 . 2]"
1 11 SER 4.317 0.104 11 0 "[ . 1 . 2]"
1 12 PRO 2.876 0.080 15 0 "[ . 1 . 2]"
1 13 TRP 5.720 0.084 7 0 "[ . 1 . 2]"
1 14 SER 4.237 0.117 20 0 "[ . 1 . 2]"
1 15 ALA 2.857 0.117 20 0 "[ . 1 . 2]"
1 16 CYS 2.664 0.097 6 0 "[ . 1 . 2]"
1 17 SER 2.231 0.109 11 0 "[ . 1 . 2]"
1 18 SER 9.288 0.116 15 0 "[ . 1 . 2]"
1 19 SER 2.172 0.093 14 0 "[ . 1 . 2]"
1 20 THR 4.210 0.105 14 0 "[ . 1 . 2]"
1 21 CYS 1.072 0.097 12 0 "[ . 1 . 2]"
1 22 GLU 3.076 0.116 15 0 "[ . 1 . 2]"
1 23 LYS 7.153 0.111 9 0 "[ . 1 . 2]"
1 24 GLY 6.261 0.105 17 0 "[ . 1 . 2]"
1 25 LYS 8.899 0.111 4 0 "[ . 1 . 2]"
1 26 ARG 10.519 0.109 20 0 "[ . 1 . 2]"
1 27 MET 2.902 0.111 8 0 "[ . 1 . 2]"
1 28 ARG 5.648 0.086 20 0 "[ . 1 . 2]"
1 29 GLN 2.917 0.096 15 0 "[ . 1 . 2]"
1 30 ARG 7.857 0.104 3 0 "[ . 1 . 2]"
1 31 MET 1.366 0.106 19 0 "[ . 1 . 2]"
1 32 LEU 6.143 0.102 17 0 "[ . 1 . 2]"
1 33 LYS 4.480 0.131 12 0 "[ . 1 . 2]"
1 34 ALA 1.982 0.082 15 0 "[ . 1 . 2]"
1 35 GLN 7.726 0.087 15 0 "[ . 1 . 2]"
1 36 LEU 5.480 0.118 10 0 "[ . 1 . 2]"
1 37 ASP 5.428 0.105 20 0 "[ . 1 . 2]"
1 38 LEU 1.118 0.080 5 0 "[ . 1 . 2]"
1 39 SER 3.039 0.097 18 0 "[ . 1 . 2]"
1 40 VAL 5.266 0.117 18 0 "[ . 1 . 2]"
1 41 PRO 4.812 0.117 18 0 "[ . 1 . 2]"
1 42 CYS 6.381 0.099 11 0 "[ . 1 . 2]"
1 43 PRO 2.027 0.099 11 0 "[ . 1 . 2]"
1 44 ASP 3.529 0.111 14 0 "[ . 1 . 2]"
1 45 THR 6.702 0.111 14 0 "[ . 1 . 2]"
1 46 GLN 5.277 0.111 13 0 "[ . 1 . 2]"
1 47 ASP 4.553 0.093 3 0 "[ . 1 . 2]"
1 48 PHE 7.119 0.106 16 0 "[ . 1 . 2]"
1 49 GLN 4.115 0.105 20 0 "[ . 1 . 2]"
1 50 PRO 1.016 0.105 20 0 "[ . 1 . 2]"
1 51 CYS 4.039 0.111 4 0 "[ . 1 . 2]"
1 52 MET 3.297 0.135 17 0 "[ . 1 . 2]"
1 53 GLY 2.603 0.098 8 0 "[ . 1 . 2]"
1 54 PRO 0.118 0.077 18 0 "[ . 1 . 2]"
1 55 GLY 0.013 0.011 9 0 "[ . 1 . 2]"
1 56 CYS 1.623 0.091 8 0 "[ . 1 . 2]"
1 57 SER 2.182 0.135 17 0 "[ . 1 . 2]"
1 58 ASP 0.266 0.080 7 0 "[ . 1 . 2]"
1 59 GLU 1.423 0.092 7 0 "[ . 1 . 2]"
1 60 ASP 0.183 0.068 15 0 "[ . 1 . 2]"
1 61 GLY 0.264 0.079 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER HA 1 3 GLU H . . 3.150 2.769 2.179 3.232 0.082 12 0 "[ . 1 . 2]" 1
2 1 2 SER HA 1 4 THR H . . 4.430 3.709 3.219 4.269 . 0 0 "[ . 1 . 2]" 1
3 1 2 SER HA 1 5 CYS H . . 4.840 3.780 2.648 4.817 . 0 0 "[ . 1 . 2]" 1
4 1 2 SER QB 1 3 GLU H . . 3.930 3.757 3.253 4.012 0.082 17 0 "[ . 1 . 2]" 1
5 1 2 SER QB 1 4 THR H . . 5.340 4.703 2.830 5.439 0.099 1 0 "[ . 1 . 2]" 1
6 1 2 SER HB2 1 3 GLU H . . 4.560 4.221 3.674 4.631 0.071 5 0 "[ . 1 . 2]" 1
7 1 2 SER HB3 1 3 GLU H . . 4.560 4.305 3.374 4.614 0.054 7 0 "[ . 1 . 2]" 1
8 1 3 GLU H 1 3 GLU HB2 . . 3.640 3.621 3.515 3.735 0.095 6 0 "[ . 1 . 2]" 1
9 1 3 GLU H 1 3 GLU QB . . 3.020 2.611 2.303 3.105 0.085 6 0 "[ . 1 . 2]" 1
10 1 3 GLU H 1 3 GLU HB3 . . 3.640 2.690 2.335 3.319 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLU H 1 3 GLU HG2 . . 4.050 2.482 1.896 3.372 . 0 0 "[ . 1 . 2]" 1
12 1 3 GLU H 1 3 GLU QG . . 3.400 2.376 1.887 3.141 . 0 0 "[ . 1 . 2]" 1
13 1 3 GLU H 1 3 GLU HG3 . . 4.050 3.467 2.094 4.044 . 0 0 "[ . 1 . 2]" 1
14 1 3 GLU H 1 4 THR H . . 3.630 2.506 1.692 3.019 . 0 0 "[ . 1 . 2]" 1
15 1 3 GLU HA 1 3 GLU HG2 . . 4.230 3.781 3.649 4.187 . 0 0 "[ . 1 . 2]" 1
16 1 3 GLU HA 1 3 GLU QG . . 3.690 3.429 3.353 3.574 . 0 0 "[ . 1 . 2]" 1
17 1 3 GLU HA 1 3 GLU HG3 . . 4.230 3.962 3.611 4.276 0.046 13 0 "[ . 1 . 2]" 1
18 1 3 GLU QB 1 4 THR MG . . 5.330 3.863 3.394 4.421 . 0 0 "[ . 1 . 2]" 1
19 1 3 GLU QB 1 5 CYS H . . 4.770 4.773 4.504 4.871 0.101 18 0 "[ . 1 . 2]" 1
20 1 3 GLU HB2 1 4 THR H . . 4.140 3.939 3.518 4.201 0.061 4 0 "[ . 1 . 2]" 1
21 1 3 GLU HB2 1 5 CYS H . . 5.500 5.250 4.896 5.439 . 0 0 "[ . 1 . 2]" 1
22 1 3 GLU HB3 1 4 THR H . . 4.140 4.106 3.906 4.218 0.078 4 0 "[ . 1 . 2]" 1
23 1 3 GLU HB3 1 5 CYS H . . 5.500 5.487 5.261 5.568 0.068 16 0 "[ . 1 . 2]" 1
24 1 3 GLU QG 1 4 THR H . . 3.830 2.347 1.926 2.909 . 0 0 "[ . 1 . 2]" 1
25 1 3 GLU QG 1 4 THR HA . . 4.390 3.801 3.276 4.400 0.010 13 0 "[ . 1 . 2]" 1
26 1 3 GLU QG 1 4 THR MG . . 3.300 2.340 2.093 3.171 . 0 0 "[ . 1 . 2]" 1
27 1 3 GLU QG 1 5 CYS H . . 4.420 4.410 4.102 4.519 0.099 1 0 "[ . 1 . 2]" 1
28 1 4 THR H 1 4 THR MG . . 3.260 2.806 2.418 3.335 0.075 13 0 "[ . 1 . 2]" 1
29 1 4 THR H 1 5 CYS H . . 2.880 2.482 1.853 2.854 . 0 0 "[ . 1 . 2]" 1
30 1 4 THR H 1 5 CYS QB . . 4.380 4.206 3.782 4.466 0.086 2 0 "[ . 1 . 2]" 1
31 1 4 THR H 1 36 LEU QB . . 5.300 4.883 4.548 5.326 0.026 5 0 "[ . 1 . 2]" 1
32 1 4 THR H 1 36 LEU QD . . 4.690 4.139 3.787 4.401 . 0 0 "[ . 1 . 2]" 1
33 1 4 THR HA 1 4 THR MG . . 3.000 2.268 2.195 2.466 . 0 0 "[ . 1 . 2]" 1
34 1 4 THR HA 1 5 CYS H . . 3.320 3.241 2.976 3.339 0.019 15 0 "[ . 1 . 2]" 1
35 1 4 THR HA 1 36 LEU H . . 4.350 3.352 2.893 3.726 . 0 0 "[ . 1 . 2]" 1
36 1 4 THR HA 1 36 LEU QB . . 2.910 2.262 1.999 2.694 . 0 0 "[ . 1 . 2]" 1
37 1 4 THR HA 1 36 LEU QD . . 3.110 2.203 1.867 2.779 . 0 0 "[ . 1 . 2]" 1
38 1 4 THR HA 1 36 LEU HG . . 4.600 3.403 2.016 4.646 0.046 1 0 "[ . 1 . 2]" 1
39 1 4 THR HB 1 5 CYS H . . 5.020 4.259 4.025 4.530 . 0 0 "[ . 1 . 2]" 1
40 1 4 THR HB 1 36 LEU H . . 4.350 3.549 3.155 3.862 . 0 0 "[ . 1 . 2]" 1
41 1 4 THR HB 1 36 LEU QB . . 3.090 2.902 2.307 3.162 0.072 15 0 "[ . 1 . 2]" 1
42 1 4 THR HB 1 36 LEU QD . . 4.120 3.858 3.393 4.206 0.086 10 0 "[ . 1 . 2]" 1
43 1 4 THR HB 1 37 ASP H . . 3.690 3.540 2.725 3.764 0.074 10 0 "[ . 1 . 2]" 1
44 1 4 THR HB 1 37 ASP HB2 . . 4.230 3.746 2.554 4.319 0.089 20 0 "[ . 1 . 2]" 1
45 1 4 THR HB 1 37 ASP QB . . 3.640 3.230 2.536 3.714 0.074 6 0 "[ . 1 . 2]" 1
46 1 4 THR HB 1 37 ASP HB3 . . 4.230 3.812 2.745 4.310 0.080 13 0 "[ . 1 . 2]" 1
47 1 4 THR MG 1 5 CYS H . . 4.440 4.381 4.215 4.488 0.048 12 0 "[ . 1 . 2]" 1
48 1 4 THR MG 1 36 LEU H . . 4.520 4.306 3.903 4.611 0.091 10 0 "[ . 1 . 2]" 1
49 1 4 THR MG 1 36 LEU QB . . 3.550 2.561 2.119 3.141 . 0 0 "[ . 1 . 2]" 1
50 1 4 THR MG 1 37 ASP H . . 4.440 4.379 3.856 4.532 0.092 14 0 "[ . 1 . 2]" 1
51 1 4 THR MG 1 37 ASP QB . . 3.690 3.478 2.858 3.785 0.095 6 0 "[ . 1 . 2]" 1
52 1 5 CYS H 1 5 CYS QB . . 3.010 2.558 2.449 2.677 . 0 0 "[ . 1 . 2]" 1
53 1 5 CYS H 1 6 ILE H . . 4.510 4.407 4.098 4.549 0.039 13 0 "[ . 1 . 2]" 1
54 1 5 CYS H 1 36 LEU H . . 4.570 4.570 4.233 4.651 0.081 1 0 "[ . 1 . 2]" 1
55 1 5 CYS H 1 36 LEU MD1 . . 5.120 4.170 3.406 5.238 0.118 10 0 "[ . 1 . 2]" 1
56 1 5 CYS H 1 36 LEU QD . . 4.400 3.666 2.813 4.425 0.025 9 0 "[ . 1 . 2]" 1
57 1 5 CYS H 1 36 LEU MD2 . . 5.120 4.623 2.824 5.224 0.104 14 0 "[ . 1 . 2]" 1
58 1 5 CYS HA 1 6 ILE H . . 2.970 2.231 2.130 2.335 . 0 0 "[ . 1 . 2]" 1
59 1 5 CYS QB 1 6 ILE H . . 3.330 2.976 2.550 3.412 0.082 7 0 "[ . 1 . 2]" 1
60 1 5 CYS QB 1 7 TYR QD . . 4.410 3.574 2.940 4.045 . 0 0 "[ . 1 . 2]" 1
61 1 5 CYS QB 1 7 TYR QE . . 3.660 2.594 2.234 3.025 . 0 0 "[ . 1 . 2]" 1
62 1 5 CYS QB 1 32 LEU MD1 . . 4.780 4.422 3.619 4.757 . 0 0 "[ . 1 . 2]" 1
63 1 5 CYS QB 1 32 LEU MD2 . . 3.630 2.440 2.067 2.919 . 0 0 "[ . 1 . 2]" 1
64 1 5 CYS QB 1 32 LEU HG . . 5.090 4.614 4.133 5.176 0.086 12 0 "[ . 1 . 2]" 1
65 1 5 CYS QB 1 42 CYS HB2 . . 3.680 3.386 2.745 3.727 0.047 17 0 "[ . 1 . 2]" 1
66 1 5 CYS QB 1 42 CYS HB3 . . 3.650 2.773 2.396 3.432 . 0 0 "[ . 1 . 2]" 1
67 1 5 CYS HB2 1 7 TYR QE . . 4.170 2.813 2.392 3.364 . 0 0 "[ . 1 . 2]" 1
68 1 5 CYS HB2 1 32 LEU MD2 . . 4.450 3.912 3.482 4.428 . 0 0 "[ . 1 . 2]" 1
69 1 5 CYS HB3 1 7 TYR QE . . 4.170 3.105 2.528 3.468 . 0 0 "[ . 1 . 2]" 1
70 1 5 CYS HB3 1 32 LEU MD2 . . 4.450 2.466 2.083 2.963 . 0 0 "[ . 1 . 2]" 1
71 1 6 ILE H 1 6 ILE HB . . 3.190 2.656 2.473 2.966 . 0 0 "[ . 1 . 2]" 1
72 1 6 ILE H 1 6 ILE MD . . 4.520 3.828 2.749 4.424 . 0 0 "[ . 1 . 2]" 1
73 1 6 ILE H 1 6 ILE QG . . 3.690 2.988 2.611 3.705 0.015 13 0 "[ . 1 . 2]" 1
74 1 6 ILE H 1 6 ILE MG . . 4.180 3.842 3.694 3.965 . 0 0 "[ . 1 . 2]" 1
75 1 6 ILE H 1 7 TYR H . . 4.610 3.940 3.754 4.206 . 0 0 "[ . 1 . 2]" 1
76 1 6 ILE H 1 32 LEU MD1 . . 3.650 3.605 3.069 3.752 0.102 17 0 "[ . 1 . 2]" 1
77 1 6 ILE H 1 32 LEU MD2 . . 3.690 2.618 2.232 3.372 . 0 0 "[ . 1 . 2]" 1
78 1 6 ILE H 1 32 LEU HG . . 5.450 5.146 4.860 5.512 0.062 4 0 "[ . 1 . 2]" 1
79 1 6 ILE H 1 33 LYS H . . 4.630 4.416 4.043 4.687 0.057 16 0 "[ . 1 . 2]" 1
80 1 6 ILE H 1 34 ALA H . . 3.770 3.272 3.058 3.649 . 0 0 "[ . 1 . 2]" 1
81 1 6 ILE H 1 36 LEU H . . 5.220 4.798 4.302 5.238 0.018 9 0 "[ . 1 . 2]" 1
82 1 6 ILE HA 1 6 ILE MD . . 3.350 2.358 2.030 3.446 0.096 8 0 "[ . 1 . 2]" 1
83 1 6 ILE HA 1 6 ILE HG12 . . 3.840 3.169 2.220 3.711 . 0 0 "[ . 1 . 2]" 1
84 1 6 ILE HA 1 6 ILE QG . . 3.360 2.970 2.184 3.157 . 0 0 "[ . 1 . 2]" 1
85 1 6 ILE HA 1 6 ILE HG13 . . 3.840 3.734 2.564 3.921 0.081 2 0 "[ . 1 . 2]" 1
86 1 6 ILE HA 1 6 ILE MG . . 3.230 2.425 2.232 2.728 . 0 0 "[ . 1 . 2]" 1
87 1 6 ILE HA 1 7 TYR H . . 2.810 2.182 2.064 2.311 . 0 0 "[ . 1 . 2]" 1
88 1 6 ILE HA 1 7 TYR QD . . 4.450 3.661 3.210 4.489 0.039 13 0 "[ . 1 . 2]" 1
89 1 6 ILE HA 1 34 ALA H . . 4.730 4.708 4.578 4.796 0.066 15 0 "[ . 1 . 2]" 1
90 1 6 ILE HB 1 7 TYR H . . 4.580 4.428 4.212 4.607 0.027 17 0 "[ . 1 . 2]" 1
91 1 6 ILE HB 1 34 ALA H . . 3.370 2.637 2.112 3.154 . 0 0 "[ . 1 . 2]" 1
92 1 6 ILE HB 1 34 ALA MB . . 2.850 2.323 2.104 2.773 . 0 0 "[ . 1 . 2]" 1
93 1 6 ILE MD 1 7 TYR H . . 5.040 4.130 3.431 5.147 0.107 8 0 "[ . 1 . 2]" 1
94 1 6 ILE QG 1 7 TYR H . . 4.890 4.819 4.137 4.947 0.057 3 0 "[ . 1 . 2]" 1
95 1 6 ILE QG 1 34 ALA H . . 5.340 4.343 3.734 4.871 . 0 0 "[ . 1 . 2]" 1
96 1 6 ILE QG 1 36 LEU H . . 5.340 4.493 3.889 5.346 0.006 18 0 "[ . 1 . 2]" 1
97 1 6 ILE MG 1 7 TYR H . . 3.480 3.292 2.901 3.548 0.068 16 0 "[ . 1 . 2]" 1
98 1 6 ILE MG 1 7 TYR HA . . 4.220 4.149 3.985 4.296 0.076 16 0 "[ . 1 . 2]" 1
99 1 6 ILE MG 1 33 LYS H . . 4.300 3.958 3.683 4.234 . 0 0 "[ . 1 . 2]" 1
100 1 6 ILE MG 1 33 LYS HB2 . . 3.630 2.442 2.049 2.804 . 0 0 "[ . 1 . 2]" 1
101 1 6 ILE MG 1 33 LYS HB3 . . 3.740 3.321 2.462 3.786 0.046 7 0 "[ . 1 . 2]" 1
102 1 6 ILE MG 1 33 LYS HD2 . . 4.790 4.436 3.865 4.877 0.087 16 0 "[ . 1 . 2]" 1
103 1 6 ILE MG 1 33 LYS QD . . 3.950 3.526 2.530 4.081 0.131 12 0 "[ . 1 . 2]" 1
104 1 6 ILE MG 1 33 LYS HD3 . . 4.790 3.932 2.553 4.852 0.062 8 0 "[ . 1 . 2]" 1
105 1 6 ILE MG 1 33 LYS QE . . 3.830 2.938 1.811 3.959 0.129 20 0 "[ . 1 . 2]" 1
106 1 6 ILE MG 1 34 ALA H . . 3.680 3.342 2.635 3.684 0.004 5 0 "[ . 1 . 2]" 1
107 1 7 TYR H 1 7 TYR HB3 . . 3.960 3.692 3.597 3.840 . 0 0 "[ . 1 . 2]" 1
108 1 7 TYR H 1 30 ARG QD . . 4.950 4.774 4.524 5.002 0.052 8 0 "[ . 1 . 2]" 1
109 1 7 TYR H 1 32 LEU MD2 . . 4.620 3.965 3.743 4.304 . 0 0 "[ . 1 . 2]" 1
110 1 7 TYR H 1 34 ALA H . . 5.130 5.075 4.982 5.183 0.053 15 0 "[ . 1 . 2]" 1
111 1 7 TYR HA 1 7 TYR QD . . 3.860 3.291 2.774 3.473 . 0 0 "[ . 1 . 2]" 1
112 1 7 TYR HA 1 7 TYR QE . . 5.280 5.099 4.776 5.339 0.059 16 0 "[ . 1 . 2]" 1
113 1 7 TYR HA 1 8 SER H . . 3.140 2.426 2.306 2.598 . 0 0 "[ . 1 . 2]" 1
114 1 7 TYR HA 1 30 ARG QD . . 4.400 4.330 4.198 4.481 0.081 14 0 "[ . 1 . 2]" 1
115 1 7 TYR HA 1 31 MET H . . 5.290 5.082 4.563 5.369 0.079 15 0 "[ . 1 . 2]" 1
116 1 7 TYR HA 1 32 LEU HA . . 3.400 2.220 2.120 2.382 . 0 0 "[ . 1 . 2]" 1
117 1 7 TYR HA 1 32 LEU MD2 . . 3.640 2.796 2.401 2.983 . 0 0 "[ . 1 . 2]" 1
118 1 7 TYR HA 1 32 LEU HG . . 5.500 5.526 5.256 5.586 0.086 12 0 "[ . 1 . 2]" 1
119 1 7 TYR HA 1 33 LYS H . . 3.520 2.097 1.873 2.334 . 0 0 "[ . 1 . 2]" 1
120 1 7 TYR HA 1 33 LYS HB2 . . 3.500 3.430 3.044 3.568 0.068 10 0 "[ . 1 . 2]" 1
121 1 7 TYR HA 1 33 LYS HB3 . . 5.170 5.072 4.673 5.225 0.055 11 0 "[ . 1 . 2]" 1
122 1 7 TYR HA 1 34 ALA H . . 4.100 4.014 3.785 4.155 0.055 2 0 "[ . 1 . 2]" 1
123 1 7 TYR HB2 1 8 SER H . . 3.860 3.274 2.864 3.547 . 0 0 "[ . 1 . 2]" 1
124 1 7 TYR HB2 1 30 ARG HD2 . . 4.100 2.324 2.078 4.034 . 0 0 "[ . 1 . 2]" 1
125 1 7 TYR HB2 1 30 ARG QD . . 3.390 2.241 2.068 2.670 . 0 0 "[ . 1 . 2]" 1
126 1 7 TYR HB2 1 30 ARG HD3 . . 4.100 3.751 2.709 4.071 . 0 0 "[ . 1 . 2]" 1
127 1 7 TYR HB2 1 30 ARG QG . . 3.900 3.654 3.326 3.942 0.042 19 0 "[ . 1 . 2]" 1
128 1 7 TYR HB2 1 32 LEU HA . . 4.800 4.655 4.395 4.867 0.067 19 0 "[ . 1 . 2]" 1
129 1 7 TYR HB2 1 33 LYS H . . 5.390 5.075 4.865 5.303 . 0 0 "[ . 1 . 2]" 1
130 1 7 TYR HB3 1 8 SER H . . 3.560 2.507 2.244 2.772 . 0 0 "[ . 1 . 2]" 1
131 1 7 TYR HB3 1 30 ARG HD2 . . 4.320 2.423 2.120 3.967 . 0 0 "[ . 1 . 2]" 1
132 1 7 TYR HB3 1 30 ARG QD . . 3.740 2.322 2.109 2.633 . 0 0 "[ . 1 . 2]" 1
133 1 7 TYR HB3 1 30 ARG HD3 . . 4.320 3.886 2.276 4.322 0.002 15 0 "[ . 1 . 2]" 1
134 1 7 TYR HB3 1 30 ARG QG . . 3.960 2.569 2.172 3.060 . 0 0 "[ . 1 . 2]" 1
135 1 7 TYR HB3 1 32 LEU H . . 5.120 5.109 4.701 5.196 0.076 4 0 "[ . 1 . 2]" 1
136 1 7 TYR HB3 1 32 LEU HA . . 4.140 3.311 2.919 3.524 . 0 0 "[ . 1 . 2]" 1
137 1 7 TYR HB3 1 32 LEU MD2 . . 4.520 3.812 3.256 4.200 . 0 0 "[ . 1 . 2]" 1
138 1 7 TYR HB3 1 33 LYS H . . 4.640 4.284 3.986 4.532 . 0 0 "[ . 1 . 2]" 1
139 1 7 TYR QD 1 32 LEU HA . . 3.620 3.040 2.200 3.482 . 0 0 "[ . 1 . 2]" 1
140 1 7 TYR QD 1 32 LEU MD2 . . 4.080 2.596 2.065 3.164 . 0 0 "[ . 1 . 2]" 1
141 1 7 TYR QD 1 42 CYS HB2 . . 4.930 4.271 3.492 5.000 0.070 1 0 "[ . 1 . 2]" 1
142 1 7 TYR QD 1 42 CYS HB3 . . 4.520 4.105 3.607 4.596 0.076 1 0 "[ . 1 . 2]" 1
143 1 7 TYR QD 1 44 ASP HB2 . . 4.860 4.615 3.873 4.956 0.096 3 0 "[ . 1 . 2]" 1
144 1 7 TYR QD 1 44 ASP HB3 . . 5.220 5.152 4.337 5.321 0.101 6 0 "[ . 1 . 2]" 1
145 1 7 TYR QD 1 45 THR HA . . 5.060 3.589 2.983 4.402 . 0 0 "[ . 1 . 2]" 1
146 1 7 TYR QD 1 45 THR MG . . 3.600 2.598 2.157 3.462 . 0 0 "[ . 1 . 2]" 1
147 1 7 TYR QE 1 32 LEU HA . . 5.330 4.846 3.696 5.416 0.086 15 0 "[ . 1 . 2]" 1
148 1 7 TYR QE 1 32 LEU MD2 . . 4.450 2.961 2.470 3.355 . 0 0 "[ . 1 . 2]" 1
149 1 7 TYR QE 1 42 CYS HB3 . . 4.540 2.322 2.037 2.981 . 0 0 "[ . 1 . 2]" 1
150 1 7 TYR QE 1 44 ASP HB2 . . 4.220 2.703 2.184 3.239 . 0 0 "[ . 1 . 2]" 1
151 1 7 TYR QE 1 44 ASP HB3 . . 4.560 3.756 2.897 4.172 . 0 0 "[ . 1 . 2]" 1
152 1 7 TYR QE 1 45 THR MG . . 3.620 2.997 2.003 3.724 0.104 11 0 "[ . 1 . 2]" 1
153 1 8 SER H 1 8 SER HB2 . . 3.850 2.887 2.352 3.606 . 0 0 "[ . 1 . 2]" 1
154 1 8 SER H 1 8 SER QB . . 3.270 2.451 2.098 2.847 . 0 0 "[ . 1 . 2]" 1
155 1 8 SER H 1 8 SER HB3 . . 3.850 2.826 2.218 3.612 . 0 0 "[ . 1 . 2]" 1
156 1 8 SER H 1 9 ASN H . . 4.650 4.562 4.418 4.636 . 0 0 "[ . 1 . 2]" 1
157 1 8 SER H 1 30 ARG HA . . 5.500 5.257 4.649 5.573 0.073 18 0 "[ . 1 . 2]" 1
158 1 8 SER H 1 30 ARG HB2 . . 4.100 3.312 2.825 3.569 . 0 0 "[ . 1 . 2]" 1
159 1 8 SER H 1 30 ARG HB3 . . 5.130 4.992 4.542 5.206 0.076 1 0 "[ . 1 . 2]" 1
160 1 8 SER H 1 30 ARG QD . . 4.080 3.517 2.877 4.139 0.059 16 0 "[ . 1 . 2]" 1
161 1 8 SER H 1 30 ARG QG . . 3.760 3.820 3.571 3.859 0.099 19 0 "[ . 1 . 2]" 1
162 1 8 SER H 1 31 MET H . . 3.630 3.176 2.603 3.652 0.022 19 0 "[ . 1 . 2]" 1
163 1 8 SER H 1 31 MET QB . . 4.400 4.034 3.679 4.506 0.106 19 0 "[ . 1 . 2]" 1
164 1 8 SER H 1 32 LEU HA . . 4.220 3.604 3.255 3.920 . 0 0 "[ . 1 . 2]" 1
165 1 8 SER H 1 33 LYS H . . 3.810 3.609 3.419 3.888 0.078 11 0 "[ . 1 . 2]" 1
166 1 8 SER H 1 33 LYS HB2 . . 4.340 4.408 4.320 4.427 0.087 1 0 "[ . 1 . 2]" 1
167 1 8 SER H 1 33 LYS QD . . 5.180 4.124 3.578 4.897 . 0 0 "[ . 1 . 2]" 1
168 1 8 SER H 1 33 LYS QG . . 4.470 2.923 2.675 3.227 . 0 0 "[ . 1 . 2]" 1
169 1 8 SER HA 1 9 ASN H . . 3.090 2.565 2.428 2.738 . 0 0 "[ . 1 . 2]" 1
170 1 8 SER QB 1 9 ASN H . . 3.270 2.621 2.067 3.339 0.069 15 0 "[ . 1 . 2]" 1
171 1 8 SER QB 1 31 MET H . . 3.680 2.863 1.919 3.753 0.073 19 0 "[ . 1 . 2]" 1
172 1 8 SER QB 1 31 MET QB . . 3.660 3.071 2.536 3.666 0.006 19 0 "[ . 1 . 2]" 1
173 1 8 SER QB 1 31 MET QG . . 5.340 4.438 3.822 5.169 . 0 0 "[ . 1 . 2]" 1
174 1 8 SER QB 1 33 LYS QD . . 3.880 2.823 2.352 3.693 . 0 0 "[ . 1 . 2]" 1
175 1 8 SER QB 1 33 LYS QE . . 4.370 4.103 3.404 4.479 0.109 20 0 "[ . 1 . 2]" 1
176 1 8 SER QB 1 33 LYS QG . . 4.400 2.390 2.061 3.460 . 0 0 "[ . 1 . 2]" 1
177 1 8 SER HB2 1 9 ASN H . . 3.860 3.192 2.080 3.921 0.061 3 0 "[ . 1 . 2]" 1
178 1 8 SER HB2 1 31 MET H . . 4.450 3.599 2.219 4.309 . 0 0 "[ . 1 . 2]" 1
179 1 8 SER HB3 1 9 ASN H . . 3.860 3.200 2.337 3.708 . 0 0 "[ . 1 . 2]" 1
180 1 8 SER HB3 1 31 MET H . . 4.450 3.256 1.928 4.369 . 0 0 "[ . 1 . 2]" 1
181 1 9 ASN H 1 9 ASN HB2 . . 3.400 2.636 2.160 3.486 0.086 7 0 "[ . 1 . 2]" 1
182 1 9 ASN H 1 9 ASN HB3 . . 3.400 2.749 2.111 3.485 0.085 17 0 "[ . 1 . 2]" 1
183 1 9 ASN H 1 9 ASN QD . . 4.670 4.138 1.943 4.677 0.007 3 0 "[ . 1 . 2]" 1
184 1 9 ASN H 1 10 TRP H . . 4.650 4.601 4.392 4.702 0.052 18 0 "[ . 1 . 2]" 1
185 1 9 ASN HA 1 10 TRP H . . 2.930 2.249 2.170 2.444 . 0 0 "[ . 1 . 2]" 1
186 1 9 ASN HA 1 10 TRP HD1 . . 4.810 4.803 4.650 4.878 0.068 15 0 "[ . 1 . 2]" 1
187 1 9 ASN QB 1 10 TRP H . . 3.880 3.499 2.611 3.849 . 0 0 "[ . 1 . 2]" 1
188 1 9 ASN HB2 1 10 TRP H . . 4.610 4.082 2.815 4.568 . 0 0 "[ . 1 . 2]" 1
189 1 9 ASN HB3 1 10 TRP H . . 4.610 3.932 2.682 4.341 . 0 0 "[ . 1 . 2]" 1
190 1 9 ASN QD 1 10 TRP H . . 4.280 3.406 2.271 4.385 0.105 11 0 "[ . 1 . 2]" 1
191 1 10 TRP H 1 10 TRP HB2 . . 3.600 2.389 2.208 2.734 . 0 0 "[ . 1 . 2]" 1
192 1 10 TRP H 1 10 TRP HB3 . . 3.680 3.561 3.458 3.749 0.069 11 0 "[ . 1 . 2]" 1
193 1 10 TRP H 1 10 TRP HD1 . . 3.900 3.147 2.988 3.443 . 0 0 "[ . 1 . 2]" 1
194 1 10 TRP H 1 10 TRP HE3 . . 5.340 5.085 4.925 5.387 0.047 11 0 "[ . 1 . 2]" 1
195 1 10 TRP H 1 11 SER H . . 4.700 4.634 4.512 4.753 0.053 12 0 "[ . 1 . 2]" 1
196 1 10 TRP H 1 30 ARG HB3 . . 5.110 4.417 4.163 4.776 . 0 0 "[ . 1 . 2]" 1
197 1 10 TRP HA 1 10 TRP HE3 . . 3.640 2.712 2.546 3.165 . 0 0 "[ . 1 . 2]" 1
198 1 10 TRP HA 1 11 SER H . . 3.110 2.215 2.099 2.351 . 0 0 "[ . 1 . 2]" 1
199 1 10 TRP HA 1 30 ARG HB3 . . 3.500 2.133 2.017 2.323 . 0 0 "[ . 1 . 2]" 1
200 1 10 TRP HA 1 30 ARG QD . . 5.060 3.082 2.140 4.719 . 0 0 "[ . 1 . 2]" 1
201 1 10 TRP HB2 1 11 SER H . . 4.390 4.289 3.918 4.450 0.060 9 0 "[ . 1 . 2]" 1
202 1 10 TRP HB2 1 28 ARG HB2 . . 5.500 5.519 5.213 5.579 0.079 11 0 "[ . 1 . 2]" 1
203 1 10 TRP HB2 1 28 ARG HD2 . . 3.880 3.632 3.488 3.761 . 0 0 "[ . 1 . 2]" 1
204 1 10 TRP HB2 1 28 ARG HD3 . . 5.000 4.941 4.801 5.060 0.060 10 0 "[ . 1 . 2]" 1
205 1 10 TRP HB3 1 10 TRP HD1 . . 3.860 3.666 3.614 3.728 . 0 0 "[ . 1 . 2]" 1
206 1 10 TRP HB3 1 10 TRP HZ3 . . 5.160 5.188 5.112 5.229 0.069 9 0 "[ . 1 . 2]" 1
207 1 10 TRP HB3 1 11 SER H . . 4.150 3.191 2.732 3.475 . 0 0 "[ . 1 . 2]" 1
208 1 10 TRP HB3 1 28 ARG HD2 . . 4.010 2.107 1.973 2.263 . 0 0 "[ . 1 . 2]" 1
209 1 10 TRP HB3 1 28 ARG HD3 . . 4.350 3.672 3.536 3.851 . 0 0 "[ . 1 . 2]" 1
210 1 10 TRP HE3 1 11 SER H . . 3.760 2.978 2.489 3.331 . 0 0 "[ . 1 . 2]" 1
211 1 10 TRP HE3 1 28 ARG HA . . 5.000 5.020 4.830 5.083 0.083 2 0 "[ . 1 . 2]" 1
212 1 10 TRP HE3 1 28 ARG HB2 . . 3.800 3.277 2.888 3.489 . 0 0 "[ . 1 . 2]" 1
213 1 10 TRP HE3 1 28 ARG HB3 . . 4.860 4.696 4.341 4.863 0.003 13 0 "[ . 1 . 2]" 1
214 1 10 TRP HE3 1 28 ARG HD2 . . 4.000 2.815 2.473 3.090 . 0 0 "[ . 1 . 2]" 1
215 1 10 TRP HE3 1 28 ARG HG2 . . 4.290 4.150 3.976 4.306 0.016 15 0 "[ . 1 . 2]" 1
216 1 10 TRP HE3 1 28 ARG HG3 . . 4.250 2.459 2.304 2.616 . 0 0 "[ . 1 . 2]" 1
217 1 10 TRP HE3 1 29 GLN H . . 4.200 3.679 3.268 4.240 0.040 18 0 "[ . 1 . 2]" 1
218 1 10 TRP HE3 1 29 GLN HA . . 4.030 3.476 3.222 4.092 0.062 1 0 "[ . 1 . 2]" 1
219 1 10 TRP HE3 1 30 ARG H . . 4.550 4.064 3.301 4.393 . 0 0 "[ . 1 . 2]" 1
220 1 10 TRP HE3 1 30 ARG HB3 . . 4.700 2.896 2.698 3.300 . 0 0 "[ . 1 . 2]" 1
221 1 10 TRP HE3 1 30 ARG QD . . 4.890 3.522 3.181 4.320 . 0 0 "[ . 1 . 2]" 1
222 1 10 TRP HE3 1 30 ARG QG . . 4.220 3.492 3.015 3.891 . 0 0 "[ . 1 . 2]" 1
223 1 10 TRP HE3 1 46 GLN HA . . 5.260 4.776 4.450 5.210 . 0 0 "[ . 1 . 2]" 1
224 1 10 TRP HE3 1 47 ASP H . . 5.500 4.849 4.590 5.178 . 0 0 "[ . 1 . 2]" 1
225 1 10 TRP HE3 1 47 ASP HB2 . . 4.760 4.761 3.856 4.839 0.079 14 0 "[ . 1 . 2]" 1
226 1 10 TRP HE3 1 47 ASP HB3 . . 4.830 4.283 3.986 4.836 0.006 9 0 "[ . 1 . 2]" 1
227 1 10 TRP HH2 1 28 ARG HE . . 4.820 4.652 4.212 4.878 0.058 2 0 "[ . 1 . 2]" 1
228 1 10 TRP HH2 1 29 GLN HA . . 4.520 4.355 4.101 4.593 0.073 20 0 "[ . 1 . 2]" 1
229 1 10 TRP HH2 1 30 ARG H . . 4.920 4.833 4.023 4.996 0.076 16 0 "[ . 1 . 2]" 1
230 1 10 TRP HH2 1 30 ARG HE . . 4.860 3.454 2.850 4.951 0.091 14 0 "[ . 1 . 2]" 1
231 1 10 TRP HH2 1 30 ARG QG . . 4.340 3.447 3.210 3.788 . 0 0 "[ . 1 . 2]" 1
232 1 10 TRP HH2 1 44 ASP HB3 . . 4.790 4.506 3.975 4.850 0.060 18 0 "[ . 1 . 2]" 1
233 1 10 TRP HH2 1 45 THR HA . . 4.060 3.813 3.126 4.142 0.082 11 0 "[ . 1 . 2]" 1
234 1 10 TRP HH2 1 46 GLN H . . 4.440 3.291 2.666 3.797 . 0 0 "[ . 1 . 2]" 1
235 1 10 TRP HH2 1 46 GLN HA . . 4.240 3.531 3.237 3.895 . 0 0 "[ . 1 . 2]" 1
236 1 10 TRP HH2 1 47 ASP H . . 3.960 3.866 3.421 4.029 0.069 7 0 "[ . 1 . 2]" 1
237 1 10 TRP HH2 1 47 ASP HB2 . . 3.640 2.453 2.287 2.716 . 0 0 "[ . 1 . 2]" 1
238 1 10 TRP HH2 1 47 ASP HB3 . . 4.330 3.716 3.387 4.393 0.063 2 0 "[ . 1 . 2]" 1
239 1 10 TRP HZ2 1 44 ASP HB3 . . 4.890 4.655 3.939 4.977 0.087 14 0 "[ . 1 . 2]" 1
240 1 10 TRP HZ2 1 47 ASP HB3 . . 5.340 4.277 4.043 4.719 . 0 0 "[ . 1 . 2]" 1
241 1 10 TRP HZ3 1 28 ARG HE . . 4.290 4.293 3.999 4.366 0.076 16 0 "[ . 1 . 2]" 1
242 1 10 TRP HZ3 1 28 ARG HG2 . . 4.770 4.290 4.016 4.599 . 0 0 "[ . 1 . 2]" 1
243 1 10 TRP HZ3 1 28 ARG HG3 . . 5.380 2.798 2.460 3.144 . 0 0 "[ . 1 . 2]" 1
244 1 10 TRP HZ3 1 29 GLN H . . 4.680 4.182 3.768 4.537 . 0 0 "[ . 1 . 2]" 1
245 1 10 TRP HZ3 1 29 GLN HA . . 3.430 2.173 1.998 2.621 . 0 0 "[ . 1 . 2]" 1
246 1 10 TRP HZ3 1 29 GLN QB . . 4.310 3.975 3.783 4.365 0.055 1 0 "[ . 1 . 2]" 1
247 1 10 TRP HZ3 1 30 ARG H . . 3.750 3.203 2.333 3.580 . 0 0 "[ . 1 . 2]" 1
248 1 10 TRP HZ3 1 30 ARG QD . . 4.940 4.033 3.498 4.704 . 0 0 "[ . 1 . 2]" 1
249 1 10 TRP HZ3 1 30 ARG QG . . 3.840 2.891 2.668 3.380 . 0 0 "[ . 1 . 2]" 1
250 1 10 TRP HZ3 1 46 GLN HA . . 3.560 2.510 2.250 2.949 . 0 0 "[ . 1 . 2]" 1
251 1 10 TRP HZ3 1 47 ASP H . . 3.830 3.094 2.827 3.472 . 0 0 "[ . 1 . 2]" 1
252 1 10 TRP HZ3 1 47 ASP HB2 . . 4.120 3.488 3.077 3.722 . 0 0 "[ . 1 . 2]" 1
253 1 11 SER H 1 11 SER HB2 . . 3.510 2.569 2.132 3.568 0.058 4 0 "[ . 1 . 2]" 1
254 1 11 SER H 1 11 SER QB . . 3.080 2.359 2.113 2.619 . 0 0 "[ . 1 . 2]" 1
255 1 11 SER H 1 11 SER HB3 . . 3.510 3.349 2.372 3.582 0.072 12 0 "[ . 1 . 2]" 1
256 1 11 SER H 1 12 PRO HD2 . . 5.010 4.836 4.721 4.967 . 0 0 "[ . 1 . 2]" 1
257 1 11 SER H 1 12 PRO HD3 . . 5.200 5.245 5.102 5.276 0.076 2 0 "[ . 1 . 2]" 1
258 1 11 SER H 1 28 ARG HB2 . . 4.370 3.746 3.302 4.167 . 0 0 "[ . 1 . 2]" 1
259 1 11 SER H 1 28 ARG HD2 . . 4.750 4.086 3.695 4.563 . 0 0 "[ . 1 . 2]" 1
260 1 11 SER H 1 29 GLN H . . 4.070 3.686 3.065 4.146 0.076 20 0 "[ . 1 . 2]" 1
261 1 11 SER H 1 30 ARG HB2 . . 5.000 4.362 3.784 4.780 . 0 0 "[ . 1 . 2]" 1
262 1 11 SER H 1 30 ARG HB3 . . 4.220 3.066 2.254 3.281 . 0 0 "[ . 1 . 2]" 1
263 1 11 SER H 1 30 ARG QG . . 4.830 4.849 4.067 4.934 0.104 11 0 "[ . 1 . 2]" 1
264 1 11 SER HA 1 12 PRO HG2 . . 4.830 4.751 4.587 4.892 0.062 16 0 "[ . 1 . 2]" 1
265 1 11 SER HA 1 12 PRO QG . . 4.220 4.249 4.131 4.300 0.080 15 0 "[ . 1 . 2]" 1
266 1 11 SER HA 1 12 PRO HG3 . . 4.830 4.790 4.684 4.857 0.027 20 0 "[ . 1 . 2]" 1
267 1 11 SER QB 1 12 PRO QG . . 3.970 3.571 3.305 3.830 . 0 0 "[ . 1 . 2]" 1
268 1 11 SER QB 1 29 GLN H . . 3.270 2.756 2.207 3.308 0.038 11 0 "[ . 1 . 2]" 1
269 1 11 SER HB2 1 12 PRO HD2 . . 3.670 3.292 2.019 3.735 0.065 12 0 "[ . 1 . 2]" 1
270 1 11 SER HB3 1 12 PRO HD2 . . 3.670 2.277 1.946 3.633 . 0 0 "[ . 1 . 2]" 1
271 1 12 PRO HA 1 13 TRP H . . 2.850 2.297 2.186 2.383 . 0 0 "[ . 1 . 2]" 1
272 1 12 PRO HA 1 13 TRP HB2 . . 4.560 4.599 4.485 4.632 0.072 6 0 "[ . 1 . 2]" 1
273 1 12 PRO HA 1 13 TRP HD1 . . 5.130 4.538 4.046 4.912 . 0 0 "[ . 1 . 2]" 1
274 1 12 PRO HB2 1 13 TRP H . . 3.880 2.962 2.665 3.358 . 0 0 "[ . 1 . 2]" 1
275 1 12 PRO HB2 1 13 TRP HB2 . . 5.420 4.601 4.315 4.963 . 0 0 "[ . 1 . 2]" 1
276 1 12 PRO HB3 1 13 TRP H . . 4.190 3.658 3.454 3.981 . 0 0 "[ . 1 . 2]" 1
277 1 13 TRP H 1 13 TRP HB2 . . 3.240 2.322 2.271 2.432 . 0 0 "[ . 1 . 2]" 1
278 1 13 TRP H 1 13 TRP HB3 . . 3.600 3.528 3.487 3.576 . 0 0 "[ . 1 . 2]" 1
279 1 13 TRP H 1 13 TRP HD1 . . 3.780 2.998 2.615 3.219 . 0 0 "[ . 1 . 2]" 1
280 1 13 TRP H 1 13 TRP HE1 . . 5.090 4.950 4.600 5.152 0.062 3 0 "[ . 1 . 2]" 1
281 1 13 TRP H 1 14 SER H . . 4.650 4.674 4.583 4.717 0.067 10 0 "[ . 1 . 2]" 1
282 1 13 TRP H 1 26 ARG QD . . 5.290 4.859 4.538 5.337 0.047 12 0 "[ . 1 . 2]" 1
283 1 13 TRP H 1 28 ARG HB3 . . 5.330 4.429 4.134 4.758 . 0 0 "[ . 1 . 2]" 1
284 1 13 TRP HA 1 13 TRP HE3 . . 3.650 2.625 2.410 2.994 . 0 0 "[ . 1 . 2]" 1
285 1 13 TRP HA 1 14 SER H . . 3.200 2.305 2.187 2.412 . 0 0 "[ . 1 . 2]" 1
286 1 13 TRP HA 1 26 ARG QD . . 4.610 4.415 4.172 4.626 0.016 13 0 "[ . 1 . 2]" 1
287 1 13 TRP HA 1 28 ARG HB3 . . 3.520 2.385 2.074 2.541 . 0 0 "[ . 1 . 2]" 1
288 1 13 TRP HA 1 28 ARG HD3 . . 4.940 4.059 3.766 4.631 . 0 0 "[ . 1 . 2]" 1
289 1 13 TRP HA 1 28 ARG HG2 . . 4.970 4.703 4.480 4.913 . 0 0 "[ . 1 . 2]" 1
290 1 13 TRP HA 1 28 ARG HG3 . . 5.500 5.412 5.060 5.572 0.072 7 0 "[ . 1 . 2]" 1
291 1 13 TRP HB2 1 13 TRP HD1 . . 3.600 2.569 2.519 2.613 . 0 0 "[ . 1 . 2]" 1
292 1 13 TRP HB2 1 14 SER H . . 4.540 4.120 3.852 4.336 . 0 0 "[ . 1 . 2]" 1
293 1 13 TRP HB2 1 26 ARG HB3 . . 5.500 4.036 3.654 4.436 . 0 0 "[ . 1 . 2]" 1
294 1 13 TRP HB2 1 26 ARG QG . . 5.340 4.600 3.519 5.065 . 0 0 "[ . 1 . 2]" 1
295 1 13 TRP HB3 1 13 TRP HE3 . . 3.870 2.812 2.684 2.939 . 0 0 "[ . 1 . 2]" 1
296 1 13 TRP HB3 1 14 SER H . . 3.990 2.999 2.683 3.349 . 0 0 "[ . 1 . 2]" 1
297 1 13 TRP HB3 1 26 ARG HB3 . . 4.890 2.365 2.108 2.783 . 0 0 "[ . 1 . 2]" 1
298 1 13 TRP HB3 1 26 ARG QG . . 4.400 3.471 2.461 3.956 . 0 0 "[ . 1 . 2]" 1
299 1 13 TRP HD1 1 26 ARG HB2 . . 5.500 5.436 4.962 5.575 0.075 4 0 "[ . 1 . 2]" 1
300 1 13 TRP HE1 1 26 ARG HB2 . . 5.500 5.516 5.280 5.580 0.080 12 0 "[ . 1 . 2]" 1
301 1 13 TRP HE1 1 28 ARG HD2 . . 5.500 5.282 4.848 5.548 0.048 6 0 "[ . 1 . 2]" 1
302 1 13 TRP HE1 1 28 ARG HD3 . . 4.560 3.936 3.651 4.193 . 0 0 "[ . 1 . 2]" 1
303 1 13 TRP HE3 1 14 SER H . . 4.070 3.178 2.831 3.651 . 0 0 "[ . 1 . 2]" 1
304 1 13 TRP HE3 1 26 ARG HB2 . . 4.360 2.545 2.053 2.808 . 0 0 "[ . 1 . 2]" 1
305 1 13 TRP HE3 1 26 ARG HB3 . . 4.060 2.496 2.157 3.919 . 0 0 "[ . 1 . 2]" 1
306 1 13 TRP HE3 1 26 ARG QD . . 3.850 3.635 3.234 3.934 0.084 7 0 "[ . 1 . 2]" 1
307 1 13 TRP HE3 1 26 ARG HG2 . . 4.880 4.674 4.253 4.963 0.083 18 0 "[ . 1 . 2]" 1
308 1 13 TRP HE3 1 26 ARG QG . . 4.270 4.172 3.305 4.340 0.070 17 0 "[ . 1 . 2]" 1
309 1 13 TRP HE3 1 26 ARG HG3 . . 4.880 4.782 3.371 4.960 0.080 1 0 "[ . 1 . 2]" 1
310 1 13 TRP HE3 1 27 MET H . . 4.380 2.834 2.565 3.088 . 0 0 "[ . 1 . 2]" 1
311 1 13 TRP HE3 1 27 MET HA . . 4.160 3.514 3.155 3.772 . 0 0 "[ . 1 . 2]" 1
312 1 13 TRP HE3 1 28 ARG H . . 4.100 3.897 3.359 4.162 0.062 7 0 "[ . 1 . 2]" 1
313 1 13 TRP HE3 1 28 ARG HA . . 4.610 4.225 3.851 4.540 . 0 0 "[ . 1 . 2]" 1
314 1 13 TRP HE3 1 28 ARG HB3 . . 4.420 2.738 2.541 3.181 . 0 0 "[ . 1 . 2]" 1
315 1 13 TRP HE3 1 28 ARG HG2 . . 4.640 3.649 3.229 3.908 . 0 0 "[ . 1 . 2]" 1
316 1 13 TRP HE3 1 28 ARG HG3 . . 5.500 5.077 4.715 5.342 . 0 0 "[ . 1 . 2]" 1
317 1 13 TRP HE3 1 48 PHE HA . . 4.490 4.409 4.092 4.558 0.068 2 0 "[ . 1 . 2]" 1
318 1 13 TRP HE3 1 49 GLN H . . 4.940 4.376 3.929 4.644 . 0 0 "[ . 1 . 2]" 1
319 1 13 TRP HH2 1 26 ARG HB2 . . 5.500 4.702 4.224 5.556 0.056 6 0 "[ . 1 . 2]" 1
320 1 13 TRP HH2 1 27 MET HA . . 5.370 4.971 4.566 5.404 0.034 18 0 "[ . 1 . 2]" 1
321 1 13 TRP HH2 1 28 ARG HD2 . . 5.500 4.890 4.672 5.101 . 0 0 "[ . 1 . 2]" 1
322 1 13 TRP HH2 1 28 ARG HE . . 4.290 3.024 2.721 3.578 . 0 0 "[ . 1 . 2]" 1
323 1 13 TRP HH2 1 28 ARG HG2 . . 4.580 3.025 2.787 3.528 . 0 0 "[ . 1 . 2]" 1
324 1 13 TRP HH2 1 28 ARG HG3 . . 5.000 4.476 4.274 4.913 . 0 0 "[ . 1 . 2]" 1
325 1 13 TRP HH2 1 47 ASP HB3 . . 3.820 3.214 2.853 3.687 . 0 0 "[ . 1 . 2]" 1
326 1 13 TRP HH2 1 48 PHE H . . 4.730 3.640 3.154 3.928 . 0 0 "[ . 1 . 2]" 1
327 1 13 TRP HH2 1 48 PHE HA . . 4.340 3.245 2.832 3.743 . 0 0 "[ . 1 . 2]" 1
328 1 13 TRP HH2 1 49 GLN QG . . 4.290 3.387 2.026 4.355 0.065 17 0 "[ . 1 . 2]" 1
329 1 13 TRP HZ3 1 27 MET HA . . 3.590 2.642 2.221 2.991 . 0 0 "[ . 1 . 2]" 1
330 1 13 TRP HZ3 1 28 ARG H . . 3.970 3.052 2.641 3.490 . 0 0 "[ . 1 . 2]" 1
331 1 13 TRP HZ3 1 28 ARG HG2 . . 4.520 2.569 2.447 2.711 . 0 0 "[ . 1 . 2]" 1
332 1 13 TRP HZ3 1 28 ARG HG3 . . 4.640 4.290 4.176 4.413 . 0 0 "[ . 1 . 2]" 1
333 1 13 TRP HZ3 1 47 ASP H . . 5.500 4.633 4.462 4.892 . 0 0 "[ . 1 . 2]" 1
334 1 13 TRP HZ3 1 48 PHE H . . 5.150 4.274 3.848 4.488 . 0 0 "[ . 1 . 2]" 1
335 1 13 TRP HZ3 1 48 PHE HA . . 3.470 2.219 2.048 2.373 . 0 0 "[ . 1 . 2]" 1
336 1 13 TRP HZ3 1 49 GLN H . . 4.120 2.832 2.452 3.212 . 0 0 "[ . 1 . 2]" 1
337 1 14 SER H 1 14 SER HB2 . . 4.070 3.500 3.375 3.656 . 0 0 "[ . 1 . 2]" 1
338 1 14 SER H 1 14 SER QB . . 3.250 2.556 2.234 2.844 . 0 0 "[ . 1 . 2]" 1
339 1 14 SER H 1 14 SER HB3 . . 4.070 2.633 2.266 3.010 . 0 0 "[ . 1 . 2]" 1
340 1 14 SER H 1 14 SER HG . . 4.220 3.013 1.915 3.548 . 0 0 "[ . 1 . 2]" 1
341 1 14 SER H 1 15 ALA H . . 4.760 4.097 2.743 4.447 . 0 0 "[ . 1 . 2]" 1
342 1 14 SER H 1 15 ALA MB . . 5.500 5.484 4.831 5.617 0.117 20 0 "[ . 1 . 2]" 1
343 1 14 SER H 1 26 ARG HA . . 5.270 4.745 4.378 5.327 0.057 2 0 "[ . 1 . 2]" 1
344 1 14 SER H 1 26 ARG HB2 . . 5.070 4.761 3.607 5.141 0.071 16 0 "[ . 1 . 2]" 1
345 1 14 SER H 1 26 ARG HB3 . . 4.460 3.470 2.937 4.546 0.086 6 0 "[ . 1 . 2]" 1
346 1 14 SER H 1 26 ARG QD . . 5.250 4.747 4.355 5.250 . 0 0 "[ . 1 . 2]" 1
347 1 14 SER H 1 27 MET H . . 3.840 2.836 2.535 3.280 . 0 0 "[ . 1 . 2]" 1
348 1 14 SER H 1 27 MET QB . . 4.790 3.907 3.665 4.180 . 0 0 "[ . 1 . 2]" 1
349 1 14 SER H 1 28 ARG HA . . 4.890 3.927 3.377 4.170 . 0 0 "[ . 1 . 2]" 1
350 1 14 SER H 1 28 ARG HB2 . . 5.500 5.145 4.685 5.550 0.050 1 0 "[ . 1 . 2]" 1
351 1 14 SER H 1 28 ARG HB3 . . 4.170 3.933 3.551 4.233 0.063 9 0 "[ . 1 . 2]" 1
352 1 14 SER HA 1 15 ALA MB . . 4.330 4.276 4.130 4.418 0.088 12 0 "[ . 1 . 2]" 1
353 1 14 SER QB 1 15 ALA H . . 3.190 2.183 1.930 2.768 . 0 0 "[ . 1 . 2]" 1
354 1 14 SER QB 1 15 ALA MB . . 4.000 3.483 3.162 3.716 . 0 0 "[ . 1 . 2]" 1
355 1 14 SER QB 1 27 MET H . . 4.160 3.872 3.062 4.254 0.094 4 0 "[ . 1 . 2]" 1
356 1 14 SER QB 1 27 MET QG . . 5.180 4.530 3.800 5.291 0.111 8 0 "[ . 1 . 2]" 1
357 1 14 SER HB2 1 15 ALA H . . 3.800 2.208 1.941 2.866 . 0 0 "[ . 1 . 2]" 1
358 1 14 SER HB2 1 27 MET H . . 4.930 4.552 3.924 4.986 0.056 5 0 "[ . 1 . 2]" 1
359 1 14 SER HB3 1 15 ALA H . . 3.800 3.588 3.408 3.718 . 0 0 "[ . 1 . 2]" 1
360 1 14 SER HB3 1 27 MET H . . 4.930 4.213 3.195 4.857 . 0 0 "[ . 1 . 2]" 1
361 1 14 SER HG 1 15 ALA H . . 3.930 3.292 2.751 3.963 0.033 13 0 "[ . 1 . 2]" 1
362 1 14 SER HG 1 15 ALA MB . . 4.830 4.323 3.711 4.942 0.112 13 0 "[ . 1 . 2]" 1
363 1 14 SER HG 1 27 MET H . . 3.470 2.870 2.348 3.484 0.014 5 0 "[ . 1 . 2]" 1
364 1 15 ALA H 1 15 ALA MB . . 2.840 2.251 2.069 2.776 . 0 0 "[ . 1 . 2]" 1
365 1 15 ALA H 1 16 CYS H . . 4.580 4.518 4.213 4.644 0.064 14 0 "[ . 1 . 2]" 1
366 1 15 ALA H 1 27 MET H . . 5.500 4.954 3.218 5.578 0.078 4 0 "[ . 1 . 2]" 1
367 1 15 ALA HA 1 16 CYS H . . 3.170 2.264 2.174 2.465 . 0 0 "[ . 1 . 2]" 1
368 1 15 ALA HA 1 16 CYS QB . . 4.910 4.316 3.920 4.640 . 0 0 "[ . 1 . 2]" 1
369 1 15 ALA MB 1 16 CYS H . . 3.630 2.935 2.370 3.320 . 0 0 "[ . 1 . 2]" 1
370 1 15 ALA MB 1 16 CYS HA . . 4.730 4.470 4.216 4.727 . 0 0 "[ . 1 . 2]" 1
371 1 15 ALA MB 1 17 SER HA . . 5.010 4.723 4.188 5.083 0.073 17 0 "[ . 1 . 2]" 1
372 1 16 CYS H 1 16 CYS HB2 . . 3.730 2.460 2.138 2.801 . 0 0 "[ . 1 . 2]" 1
373 1 16 CYS H 1 16 CYS QB . . 3.100 2.324 2.118 2.574 . 0 0 "[ . 1 . 2]" 1
374 1 16 CYS H 1 16 CYS HB3 . . 3.730 3.151 2.387 3.693 . 0 0 "[ . 1 . 2]" 1
375 1 16 CYS HA 1 17 SER H . . 3.060 2.137 1.971 2.289 . 0 0 "[ . 1 . 2]" 1
376 1 16 CYS HA 1 18 SER H . . 3.840 3.865 3.537 3.935 0.095 11 0 "[ . 1 . 2]" 1
377 1 16 CYS HA 1 26 ARG H . . 5.050 4.749 4.295 5.113 0.063 11 0 "[ . 1 . 2]" 1
378 1 16 CYS HA 1 26 ARG HB3 . . 4.170 3.943 2.617 4.239 0.069 1 0 "[ . 1 . 2]" 1
379 1 16 CYS HA 1 26 ARG QD . . 4.850 3.993 3.373 4.734 . 0 0 "[ . 1 . 2]" 1
380 1 16 CYS HA 1 26 ARG QG . . 3.810 2.514 2.046 3.688 . 0 0 "[ . 1 . 2]" 1
381 1 16 CYS HA 1 27 MET H . . 5.220 4.852 4.521 5.253 0.033 15 0 "[ . 1 . 2]" 1
382 1 16 CYS QB 1 18 SER H . . 3.810 3.005 2.500 3.711 . 0 0 "[ . 1 . 2]" 1
383 1 16 CYS HB2 1 17 SER H . . 4.450 4.216 3.921 4.525 0.075 6 0 "[ . 1 . 2]" 1
384 1 16 CYS HB2 1 18 SER H . . 4.360 4.074 3.345 4.457 0.097 6 0 "[ . 1 . 2]" 1
385 1 16 CYS HB3 1 17 SER H . . 4.450 3.572 2.796 4.334 . 0 0 "[ . 1 . 2]" 1
386 1 16 CYS HB3 1 18 SER H . . 4.360 3.108 2.581 3.973 . 0 0 "[ . 1 . 2]" 1
387 1 17 SER H 1 17 SER HB2 . . 3.970 2.409 2.117 2.789 . 0 0 "[ . 1 . 2]" 1
388 1 17 SER H 1 17 SER HB3 . . 3.970 2.771 2.246 3.712 . 0 0 "[ . 1 . 2]" 1
389 1 17 SER H 1 18 SER H . . 3.310 2.790 2.606 2.962 . 0 0 "[ . 1 . 2]" 1
390 1 17 SER H 1 18 SER QB . . 5.130 4.774 4.373 4.930 . 0 0 "[ . 1 . 2]" 1
391 1 17 SER H 1 24 GLY HA3 . . 4.610 4.347 3.968 4.657 0.047 4 0 "[ . 1 . 2]" 1
392 1 17 SER H 1 26 ARG HA . . 4.240 3.159 2.679 3.569 . 0 0 "[ . 1 . 2]" 1
393 1 17 SER H 1 26 ARG QD . . 5.500 5.559 5.172 5.609 0.109 11 0 "[ . 1 . 2]" 1
394 1 17 SER HA 1 25 LYS H . . 4.960 4.846 4.535 5.036 0.076 16 0 "[ . 1 . 2]" 1
395 1 17 SER QB 1 18 SER H . . 3.930 2.914 2.497 3.201 . 0 0 "[ . 1 . 2]" 1
396 1 17 SER QB 1 25 LYS H . . 4.420 2.169 1.728 2.483 . 0 0 "[ . 1 . 2]" 1
397 1 18 SER H 1 18 SER HB2 . . 3.720 2.518 2.167 2.979 . 0 0 "[ . 1 . 2]" 1
398 1 18 SER H 1 18 SER QB . . 3.020 2.392 2.142 2.645 . 0 0 "[ . 1 . 2]" 1
399 1 18 SER H 1 18 SER HB3 . . 3.720 3.257 2.716 3.666 . 0 0 "[ . 1 . 2]" 1
400 1 18 SER H 1 18 SER HG . . 4.680 4.367 3.668 4.729 0.049 8 0 "[ . 1 . 2]" 1
401 1 18 SER H 1 19 SER H . . 4.710 4.326 4.125 4.537 . 0 0 "[ . 1 . 2]" 1
402 1 18 SER H 1 20 THR H . . 5.500 5.138 4.756 5.582 0.082 4 0 "[ . 1 . 2]" 1
403 1 18 SER H 1 24 GLY H . . 5.330 4.830 4.408 5.134 . 0 0 "[ . 1 . 2]" 1
404 1 18 SER H 1 24 GLY HA2 . . 4.430 4.304 3.435 4.518 0.088 6 0 "[ . 1 . 2]" 1
405 1 18 SER H 1 24 GLY HA3 . . 4.180 2.749 2.277 2.955 . 0 0 "[ . 1 . 2]" 1
406 1 18 SER H 1 25 LYS H . . 3.910 3.358 2.820 3.845 . 0 0 "[ . 1 . 2]" 1
407 1 18 SER H 1 25 LYS HA . . 5.500 5.542 5.329 5.590 0.090 14 0 "[ . 1 . 2]" 1
408 1 18 SER HA 1 19 SER H . . 2.970 2.151 2.081 2.217 . 0 0 "[ . 1 . 2]" 1
409 1 18 SER HA 1 20 THR H . . 3.530 3.366 3.212 3.571 0.041 12 0 "[ . 1 . 2]" 1
410 1 18 SER QB 1 19 SER H . . 3.770 3.607 2.784 3.863 0.093 14 0 "[ . 1 . 2]" 1
411 1 18 SER QB 1 20 THR H . . 3.780 2.932 2.413 3.347 . 0 0 "[ . 1 . 2]" 1
412 1 18 SER QB 1 20 THR HA . . 5.340 5.180 4.736 5.445 0.105 14 0 "[ . 1 . 2]" 1
413 1 18 SER QB 1 22 GLU H . . 4.670 3.937 3.282 4.620 . 0 0 "[ . 1 . 2]" 1
414 1 18 SER QB 1 22 GLU QB . . 4.300 3.618 2.734 4.416 0.116 15 0 "[ . 1 . 2]" 1
415 1 18 SER QB 1 23 LYS QB . . 5.340 5.130 4.665 5.451 0.111 9 0 "[ . 1 . 2]" 1
416 1 18 SER QB 1 24 GLY H . . 4.110 3.344 2.868 3.767 . 0 0 "[ . 1 . 2]" 1
417 1 18 SER QB 1 25 LYS H . . 4.270 4.101 3.533 4.359 0.089 6 0 "[ . 1 . 2]" 1
418 1 18 SER QB 1 51 CYS H . . 5.340 5.234 4.675 5.437 0.097 15 0 "[ . 1 . 2]" 1
419 1 18 SER QB 1 53 GLY H . . 3.730 3.357 2.521 3.828 0.098 8 0 "[ . 1 . 2]" 1
420 1 18 SER HB2 1 19 SER H . . 4.650 4.474 3.978 4.595 . 0 0 "[ . 1 . 2]" 1
421 1 18 SER HB2 1 20 THR H . . 4.630 4.306 3.781 4.711 0.081 3 0 "[ . 1 . 2]" 1
422 1 18 SER HB2 1 22 GLU H . . 5.500 5.283 4.708 5.563 0.063 4 0 "[ . 1 . 2]" 1
423 1 18 SER HB3 1 19 SER H . . 4.650 3.827 2.843 4.235 . 0 0 "[ . 1 . 2]" 1
424 1 18 SER HB3 1 20 THR H . . 4.630 2.992 2.442 3.460 . 0 0 "[ . 1 . 2]" 1
425 1 18 SER HB3 1 22 GLU H . . 5.500 4.084 3.350 4.974 . 0 0 "[ . 1 . 2]" 1
426 1 18 SER HG 1 19 SER H . . 4.780 4.438 3.639 4.860 0.080 7 0 "[ . 1 . 2]" 1
427 1 18 SER HG 1 20 THR H . . 4.150 3.646 2.429 4.227 0.077 16 0 "[ . 1 . 2]" 1
428 1 18 SER HG 1 22 GLU H . . 4.450 3.688 2.562 4.509 0.059 13 0 "[ . 1 . 2]" 1
429 1 18 SER HG 1 22 GLU HB2 . . 4.700 3.056 1.944 4.759 0.059 15 0 "[ . 1 . 2]" 1
430 1 18 SER HG 1 22 GLU QB . . 4.000 2.779 1.895 4.076 0.076 9 0 "[ . 1 . 2]" 1
431 1 18 SER HG 1 22 GLU HB3 . . 4.700 3.531 2.478 4.735 0.035 2 0 "[ . 1 . 2]" 1
432 1 18 SER HG 1 53 GLY H . . 5.140 4.663 3.600 5.231 0.091 5 0 "[ . 1 . 2]" 1
433 1 19 SER H 1 19 SER HB2 . . 3.950 2.660 2.251 3.593 . 0 0 "[ . 1 . 2]" 1
434 1 19 SER H 1 19 SER QB . . 3.450 2.440 2.141 2.878 . 0 0 "[ . 1 . 2]" 1
435 1 19 SER H 1 19 SER HB3 . . 3.950 3.231 2.674 3.710 . 0 0 "[ . 1 . 2]" 1
436 1 19 SER H 1 20 THR H . . 3.070 2.496 1.936 3.030 . 0 0 "[ . 1 . 2]" 1
437 1 19 SER H 1 20 THR MG . . 4.100 3.765 3.227 4.190 0.090 5 0 "[ . 1 . 2]" 1
438 1 19 SER HA 1 20 THR H . . 3.490 3.285 3.012 3.530 0.040 4 0 "[ . 1 . 2]" 1
439 1 19 SER HA 1 20 THR MG . . 4.670 4.518 4.235 4.739 0.069 9 0 "[ . 1 . 2]" 1
440 1 19 SER HA 1 53 GLY HA2 . . 4.360 3.675 2.201 4.419 0.059 3 0 "[ . 1 . 2]" 1
441 1 19 SER HA 1 53 GLY HA3 . . 4.360 3.870 2.686 4.434 0.074 3 0 "[ . 1 . 2]" 1
442 1 19 SER QB 1 20 THR MG . . 3.900 3.164 2.407 3.630 . 0 0 "[ . 1 . 2]" 1
443 1 19 SER HB2 1 20 THR H . . 4.450 3.932 2.850 4.376 . 0 0 "[ . 1 . 2]" 1
444 1 19 SER HB2 1 20 THR MG . . 4.560 3.662 2.494 4.493 . 0 0 "[ . 1 . 2]" 1
445 1 19 SER HB3 1 20 THR H . . 4.450 4.222 3.680 4.516 0.066 11 0 "[ . 1 . 2]" 1
446 1 19 SER HB3 1 20 THR MG . . 4.560 3.819 3.033 4.631 0.071 11 0 "[ . 1 . 2]" 1
447 1 20 THR H 1 20 THR MG . . 3.370 2.951 2.715 3.350 . 0 0 "[ . 1 . 2]" 1
448 1 20 THR H 1 21 CYS H . . 4.630 4.400 4.286 4.475 . 0 0 "[ . 1 . 2]" 1
449 1 20 THR H 1 22 GLU H . . 4.270 3.881 3.505 4.252 . 0 0 "[ . 1 . 2]" 1
450 1 20 THR H 1 53 GLY QA . . 4.470 3.388 2.725 4.203 . 0 0 "[ . 1 . 2]" 1
451 1 20 THR HA 1 20 THR MG . . 3.500 2.326 2.235 2.438 . 0 0 "[ . 1 . 2]" 1
452 1 20 THR HA 1 22 GLU H . . 4.140 4.142 4.035 4.222 0.082 15 0 "[ . 1 . 2]" 1
453 1 20 THR HA 1 53 GLY H . . 5.160 4.538 4.145 4.869 . 0 0 "[ . 1 . 2]" 1
454 1 20 THR HB 1 21 CYS H . . 2.910 2.366 2.163 2.947 0.037 9 0 "[ . 1 . 2]" 1
455 1 20 THR HB 1 21 CYS QB . . 4.670 4.013 3.774 4.474 . 0 0 "[ . 1 . 2]" 1
456 1 20 THR HB 1 22 GLU H . . 3.660 3.023 2.702 3.505 . 0 0 "[ . 1 . 2]" 1
457 1 20 THR HB 1 22 GLU QG . . 4.930 3.860 3.100 5.023 0.093 11 0 "[ . 1 . 2]" 1
458 1 20 THR MG 1 21 CYS H . . 3.620 3.643 3.497 3.717 0.097 12 0 "[ . 1 . 2]" 1
459 1 20 THR MG 1 22 GLU H . . 4.470 4.336 4.210 4.536 0.066 2 0 "[ . 1 . 2]" 1
460 1 21 CYS H 1 21 CYS HB2 . . 3.860 2.389 2.128 2.587 . 0 0 "[ . 1 . 2]" 1
461 1 21 CYS H 1 21 CYS QB . . 3.320 2.249 2.064 2.531 . 0 0 "[ . 1 . 2]" 1
462 1 21 CYS H 1 21 CYS HB3 . . 3.860 2.902 2.277 3.616 . 0 0 "[ . 1 . 2]" 1
463 1 21 CYS H 1 22 GLU H . . 3.500 2.927 2.684 3.215 . 0 0 "[ . 1 . 2]" 1
464 1 21 CYS HA 1 53 GLY H . . 4.120 2.562 2.135 3.206 . 0 0 "[ . 1 . 2]" 1
465 1 21 CYS QB 1 22 GLU H . . 4.370 3.439 3.102 3.783 . 0 0 "[ . 1 . 2]" 1
466 1 21 CYS QB 1 56 CYS HA . . 4.690 3.826 2.565 4.752 0.062 2 0 "[ . 1 . 2]" 1
467 1 21 CYS QB 1 56 CYS QB . . 3.900 2.714 2.249 3.966 0.066 2 0 "[ . 1 . 2]" 1
468 1 21 CYS HB2 1 22 GLU H . . 4.970 4.129 3.471 4.553 . 0 0 "[ . 1 . 2]" 1
469 1 21 CYS HB3 1 22 GLU H . . 4.970 3.825 3.199 4.456 . 0 0 "[ . 1 . 2]" 1
470 1 22 GLU H 1 22 GLU HB2 . . 3.720 2.626 2.058 3.741 0.021 15 0 "[ . 1 . 2]" 1
471 1 22 GLU H 1 22 GLU QB . . 3.120 2.334 2.037 2.614 . 0 0 "[ . 1 . 2]" 1
472 1 22 GLU H 1 22 GLU HB3 . . 3.720 3.269 2.104 3.653 . 0 0 "[ . 1 . 2]" 1
473 1 22 GLU H 1 22 GLU QG . . 3.810 2.626 2.058 3.777 . 0 0 "[ . 1 . 2]" 1
474 1 22 GLU H 1 23 LYS H . . 4.630 4.628 4.500 4.694 0.064 15 0 "[ . 1 . 2]" 1
475 1 22 GLU H 1 53 GLY H . . 4.530 4.053 3.481 4.454 . 0 0 "[ . 1 . 2]" 1
476 1 22 GLU HA 1 22 GLU QG . . 3.450 2.593 2.211 3.379 . 0 0 "[ . 1 . 2]" 1
477 1 22 GLU HA 1 23 LYS H . . 2.770 2.362 2.167 2.662 . 0 0 "[ . 1 . 2]" 1
478 1 22 GLU QB 1 23 LYS H . . 3.570 2.760 2.258 3.603 0.033 18 0 "[ . 1 . 2]" 1
479 1 22 GLU HB2 1 23 LYS H . . 4.430 3.700 2.396 4.466 0.036 7 0 "[ . 1 . 2]" 1
480 1 22 GLU HB3 1 23 LYS H . . 4.430 3.120 2.279 4.298 . 0 0 "[ . 1 . 2]" 1
481 1 22 GLU QG 1 23 LYS H . . 3.860 3.736 3.031 3.958 0.098 3 0 "[ . 1 . 2]" 1
482 1 23 LYS H 1 23 LYS QD . . 4.340 4.143 3.687 4.414 0.074 16 0 "[ . 1 . 2]" 1
483 1 23 LYS H 1 23 LYS QE . . 5.220 4.815 4.227 5.313 0.093 17 0 "[ . 1 . 2]" 1
484 1 23 LYS H 1 23 LYS HG2 . . 3.920 2.711 2.240 3.764 . 0 0 "[ . 1 . 2]" 1
485 1 23 LYS H 1 23 LYS QG . . 3.440 2.598 2.183 2.989 . 0 0 "[ . 1 . 2]" 1
486 1 23 LYS H 1 23 LYS HG3 . . 3.920 3.606 2.791 3.987 0.067 2 0 "[ . 1 . 2]" 1
487 1 23 LYS H 1 24 GLY H . . 4.680 4.505 4.300 4.687 0.007 19 0 "[ . 1 . 2]" 1
488 1 23 LYS HA 1 23 LYS QD . . 3.840 2.368 2.063 3.803 . 0 0 "[ . 1 . 2]" 1
489 1 23 LYS HA 1 24 GLY H . . 2.840 2.101 1.913 2.289 . 0 0 "[ . 1 . 2]" 1
490 1 23 LYS HA 1 51 CYS H . . 4.460 4.325 3.786 4.548 0.088 12 0 "[ . 1 . 2]" 1
491 1 23 LYS HA 1 52 MET QG . . 3.440 2.731 2.148 3.421 . 0 0 "[ . 1 . 2]" 1
492 1 23 LYS HA 1 53 GLY H . . 5.100 5.101 4.704 5.184 0.084 14 0 "[ . 1 . 2]" 1
493 1 23 LYS QB 1 24 GLY H . . 3.550 3.093 2.631 3.468 . 0 0 "[ . 1 . 2]" 1
494 1 23 LYS QB 1 24 GLY HA2 . . 4.200 4.170 3.859 4.295 0.095 4 0 "[ . 1 . 2]" 1
495 1 23 LYS QD 1 51 CYS H . . 4.280 3.978 3.240 4.377 0.097 6 0 "[ . 1 . 2]" 1
496 1 23 LYS QD 1 52 MET QG . . 3.320 2.379 1.995 3.420 0.100 6 0 "[ . 1 . 2]" 1
497 1 23 LYS QE 1 23 LYS HG2 . . 3.870 2.656 2.303 3.580 . 0 0 "[ . 1 . 2]" 1
498 1 23 LYS QE 1 23 LYS HG3 . . 3.870 2.629 2.126 3.433 . 0 0 "[ . 1 . 2]" 1
499 1 23 LYS QE 1 52 MET QG . . 3.500 2.880 1.839 3.609 0.109 2 0 "[ . 1 . 2]" 1
500 1 23 LYS QG 1 24 GLY H . . 4.260 4.302 3.657 4.365 0.105 17 0 "[ . 1 . 2]" 1
501 1 23 LYS QG 1 52 MET QG . . 3.620 3.243 1.912 3.700 0.080 18 0 "[ . 1 . 2]" 1
502 1 24 GLY H 1 25 LYS H . . 4.190 4.223 4.075 4.271 0.081 5 0 "[ . 1 . 2]" 1
503 1 24 GLY H 1 50 PRO HA . . 4.730 4.629 4.287 4.802 0.072 18 0 "[ . 1 . 2]" 1
504 1 24 GLY H 1 51 CYS H . . 3.560 2.890 2.681 3.096 . 0 0 "[ . 1 . 2]" 1
505 1 24 GLY H 1 52 MET H . . 5.400 4.802 4.480 5.212 . 0 0 "[ . 1 . 2]" 1
506 1 24 GLY H 1 52 MET HA . . 3.950 3.456 2.998 4.030 0.080 11 0 "[ . 1 . 2]" 1
507 1 24 GLY H 1 52 MET QG . . 4.120 3.770 3.321 4.201 0.081 15 0 "[ . 1 . 2]" 1
508 1 24 GLY HA2 1 25 LYS H . . 3.260 2.779 2.500 2.967 . 0 0 "[ . 1 . 2]" 1
509 1 24 GLY HA2 1 25 LYS HA . . 4.710 4.636 4.480 4.761 0.051 12 0 "[ . 1 . 2]" 1
510 1 24 GLY HA2 1 25 LYS QG . . 4.130 3.542 2.998 4.149 0.019 8 0 "[ . 1 . 2]" 1
511 1 24 GLY HA3 1 25 LYS H . . 3.080 2.383 2.291 2.557 . 0 0 "[ . 1 . 2]" 1
512 1 24 GLY HA3 1 25 LYS HA . . 4.360 4.390 4.326 4.439 0.079 11 0 "[ . 1 . 2]" 1
513 1 24 GLY HA3 1 25 LYS QB . . 4.850 4.769 4.554 4.946 0.096 4 0 "[ . 1 . 2]" 1
514 1 24 GLY HA3 1 25 LYS QG . . 4.810 4.349 3.772 4.895 0.085 8 0 "[ . 1 . 2]" 1
515 1 25 LYS H 1 25 LYS HB2 . . 4.180 3.010 2.412 3.831 . 0 0 "[ . 1 . 2]" 1
516 1 25 LYS H 1 25 LYS QB . . 3.600 2.848 2.374 3.403 . 0 0 "[ . 1 . 2]" 1
517 1 25 LYS H 1 25 LYS HB3 . . 4.180 3.777 3.546 3.872 . 0 0 "[ . 1 . 2]" 1
518 1 25 LYS H 1 25 LYS QG . . 3.740 3.078 2.403 3.679 . 0 0 "[ . 1 . 2]" 1
519 1 25 LYS H 1 51 CYS QB . . 5.130 4.161 3.285 5.201 0.071 5 0 "[ . 1 . 2]" 1
520 1 25 LYS HA 1 25 LYS QG . . 3.960 2.685 2.128 3.299 . 0 0 "[ . 1 . 2]" 1
521 1 25 LYS HA 1 26 ARG H . . 2.980 2.317 2.149 2.466 . 0 0 "[ . 1 . 2]" 1
522 1 25 LYS HA 1 48 PHE QD . . 5.500 5.551 5.340 5.596 0.096 14 0 "[ . 1 . 2]" 1
523 1 25 LYS HA 1 49 GLN H . . 4.820 4.602 4.169 4.904 0.084 18 0 "[ . 1 . 2]" 1
524 1 25 LYS HA 1 50 PRO HA . . 3.570 2.303 2.008 2.781 . 0 0 "[ . 1 . 2]" 1
525 1 25 LYS HA 1 50 PRO QB . . 4.810 4.144 3.828 4.582 . 0 0 "[ . 1 . 2]" 1
526 1 25 LYS HA 1 51 CYS H . . 3.440 2.894 2.482 3.435 . 0 0 "[ . 1 . 2]" 1
527 1 25 LYS QB 1 26 ARG H . . 3.730 2.537 2.113 3.035 . 0 0 "[ . 1 . 2]" 1
528 1 25 LYS QB 1 48 PHE HB2 . . 4.660 4.526 3.971 4.763 0.103 19 0 "[ . 1 . 2]" 1
529 1 25 LYS QB 1 48 PHE HB3 . . 4.700 2.967 2.487 3.292 . 0 0 "[ . 1 . 2]" 1
530 1 25 LYS QB 1 48 PHE QD . . 3.930 3.075 2.924 3.274 . 0 0 "[ . 1 . 2]" 1
531 1 25 LYS HB2 1 26 ARG H . . 4.400 3.448 2.319 4.246 . 0 0 "[ . 1 . 2]" 1
532 1 25 LYS HB3 1 26 ARG H . . 4.400 2.837 2.140 3.497 . 0 0 "[ . 1 . 2]" 1
533 1 25 LYS QD 1 48 PHE HB2 . . 4.040 3.717 2.966 4.124 0.084 15 0 "[ . 1 . 2]" 1
534 1 25 LYS QD 1 48 PHE HB3 . . 3.760 2.671 2.046 3.164 . 0 0 "[ . 1 . 2]" 1
535 1 25 LYS QD 1 48 PHE QD . . 3.660 3.456 2.742 3.766 0.106 16 0 "[ . 1 . 2]" 1
536 1 25 LYS QG 1 26 ARG H . . 4.280 3.926 3.318 4.339 0.059 4 0 "[ . 1 . 2]" 1
537 1 25 LYS QG 1 48 PHE QD . . 5.090 4.538 3.721 5.046 . 0 0 "[ . 1 . 2]" 1
538 1 25 LYS QG 1 51 CYS H . . 4.300 4.129 3.473 4.411 0.111 4 0 "[ . 1 . 2]" 1
539 1 26 ARG H 1 26 ARG HB2 . . 4.200 2.656 2.418 3.579 . 0 0 "[ . 1 . 2]" 1
540 1 26 ARG H 1 26 ARG HB3 . . 3.740 3.710 3.590 3.826 0.086 12 0 "[ . 1 . 2]" 1
541 1 26 ARG H 1 26 ARG QD . . 4.270 4.197 2.021 4.379 0.109 20 0 "[ . 1 . 2]" 1
542 1 26 ARG H 1 26 ARG HG2 . . 4.110 3.718 2.350 4.181 0.071 10 0 "[ . 1 . 2]" 1
543 1 26 ARG H 1 26 ARG QG . . 3.300 2.635 2.122 2.931 . 0 0 "[ . 1 . 2]" 1
544 1 26 ARG H 1 26 ARG HG3 . . 4.110 2.723 2.154 2.993 . 0 0 "[ . 1 . 2]" 1
545 1 26 ARG H 1 27 MET H . . 4.830 4.506 4.363 4.616 . 0 0 "[ . 1 . 2]" 1
546 1 26 ARG H 1 48 PHE HA . . 4.480 4.098 3.586 4.411 . 0 0 "[ . 1 . 2]" 1
547 1 26 ARG H 1 48 PHE HB3 . . 5.170 4.316 3.766 4.795 . 0 0 "[ . 1 . 2]" 1
548 1 26 ARG H 1 48 PHE QD . . 5.500 4.442 3.961 5.001 . 0 0 "[ . 1 . 2]" 1
549 1 26 ARG H 1 49 GLN H . . 3.440 2.942 2.572 3.362 . 0 0 "[ . 1 . 2]" 1
550 1 26 ARG H 1 50 PRO HA . . 4.210 3.936 3.518 4.266 0.056 14 0 "[ . 1 . 2]" 1
551 1 26 ARG H 1 51 CYS H . . 4.740 4.775 4.491 4.833 0.093 11 0 "[ . 1 . 2]" 1
552 1 26 ARG H 1 51 CYS HB2 . . 5.050 4.313 3.137 5.130 0.080 5 0 "[ . 1 . 2]" 1
553 1 26 ARG H 1 51 CYS HB3 . . 5.050 4.063 3.429 4.899 . 0 0 "[ . 1 . 2]" 1
554 1 26 ARG HA 1 27 MET H . . 3.120 2.503 2.308 2.638 . 0 0 "[ . 1 . 2]" 1
555 1 26 ARG HB2 1 26 ARG QD . . 3.490 2.524 2.250 2.788 . 0 0 "[ . 1 . 2]" 1
556 1 26 ARG HB2 1 27 MET H . . 3.690 3.417 2.497 3.645 . 0 0 "[ . 1 . 2]" 1
557 1 26 ARG HB3 1 27 MET H . . 3.350 2.526 2.327 3.183 . 0 0 "[ . 1 . 2]" 1
558 1 26 ARG HB3 1 51 CYS QB . . 4.800 4.451 3.617 4.746 . 0 0 "[ . 1 . 2]" 1
559 1 26 ARG QD 1 27 MET H . . 4.870 4.631 4.318 4.937 0.067 14 0 "[ . 1 . 2]" 1
560 1 26 ARG HE 1 26 ARG QG . . 3.380 2.523 2.215 3.120 . 0 0 "[ . 1 . 2]" 1
561 1 26 ARG HE 1 49 GLN HB2 . . 4.470 4.113 2.900 4.540 0.070 8 0 "[ . 1 . 2]" 1
562 1 26 ARG HE 1 49 GLN HB3 . . 4.470 4.105 2.918 4.543 0.073 3 0 "[ . 1 . 2]" 1
563 1 26 ARG HE 1 51 CYS QB . . 4.080 2.531 2.044 3.210 . 0 0 "[ . 1 . 2]" 1
564 1 26 ARG QG 1 51 CYS QB . . 3.300 1.989 1.846 2.123 . 0 0 "[ . 1 . 2]" 1
565 1 27 MET H 1 27 MET QB . . 3.630 2.437 2.225 2.628 . 0 0 "[ . 1 . 2]" 1
566 1 27 MET H 1 27 MET HG2 . . 5.080 4.393 4.196 4.630 . 0 0 "[ . 1 . 2]" 1
567 1 27 MET H 1 27 MET QG . . 4.310 4.016 3.691 4.240 . 0 0 "[ . 1 . 2]" 1
568 1 27 MET H 1 27 MET HG3 . . 5.080 4.677 3.884 4.925 . 0 0 "[ . 1 . 2]" 1
569 1 27 MET H 1 28 ARG H . . 4.720 4.393 4.281 4.456 . 0 0 "[ . 1 . 2]" 1
570 1 27 MET HA 1 27 MET HG2 . . 4.080 3.056 2.373 3.450 . 0 0 "[ . 1 . 2]" 1
571 1 27 MET HA 1 27 MET QG . . 3.560 2.481 2.198 2.716 . 0 0 "[ . 1 . 2]" 1
572 1 27 MET HA 1 27 MET HG3 . . 4.080 2.731 2.224 3.702 . 0 0 "[ . 1 . 2]" 1
573 1 27 MET HA 1 28 ARG H . . 3.040 2.297 2.212 2.394 . 0 0 "[ . 1 . 2]" 1
574 1 27 MET HA 1 28 ARG HG2 . . 5.120 4.105 3.737 4.420 . 0 0 "[ . 1 . 2]" 1
575 1 27 MET HA 1 28 ARG HG3 . . 5.500 5.381 5.066 5.564 0.064 11 0 "[ . 1 . 2]" 1
576 1 27 MET HA 1 47 ASP H . . 4.840 4.571 4.208 4.776 . 0 0 "[ . 1 . 2]" 1
577 1 27 MET HA 1 48 PHE H . . 5.500 5.227 4.962 5.555 0.055 18 0 "[ . 1 . 2]" 1
578 1 27 MET HA 1 48 PHE HA . . 3.530 2.858 2.552 3.237 . 0 0 "[ . 1 . 2]" 1
579 1 27 MET HA 1 48 PHE QD . . 4.170 3.438 3.104 4.024 . 0 0 "[ . 1 . 2]" 1
580 1 27 MET HA 1 49 GLN H . . 4.820 4.432 4.119 4.868 0.048 18 0 "[ . 1 . 2]" 1
581 1 27 MET QB 1 48 PHE QE . . 3.910 2.633 2.259 4.011 0.101 20 0 "[ . 1 . 2]" 1
582 1 27 MET QB 1 48 PHE HZ . . 4.450 3.867 3.303 4.431 . 0 0 "[ . 1 . 2]" 1
583 1 27 MET QG 1 28 ARG H . . 3.450 2.669 2.365 3.536 0.086 20 0 "[ . 1 . 2]" 1
584 1 27 MET QG 1 48 PHE QE . . 3.580 2.786 2.407 3.004 . 0 0 "[ . 1 . 2]" 1
585 1 27 MET QG 1 48 PHE HZ . . 3.590 2.681 2.426 3.002 . 0 0 "[ . 1 . 2]" 1
586 1 27 MET HG2 1 28 ARG H . . 4.150 2.895 2.460 4.219 0.069 20 0 "[ . 1 . 2]" 1
587 1 27 MET HG2 1 47 ASP H . . 5.500 4.871 3.806 5.534 0.034 11 0 "[ . 1 . 2]" 1
588 1 27 MET HG2 1 48 PHE QE . . 4.410 4.039 3.005 4.320 . 0 0 "[ . 1 . 2]" 1
589 1 27 MET HG2 1 48 PHE HZ . . 4.190 4.073 2.802 4.264 0.074 9 0 "[ . 1 . 2]" 1
590 1 27 MET HG3 1 28 ARG H . . 4.150 3.276 2.673 4.129 . 0 0 "[ . 1 . 2]" 1
591 1 27 MET HG3 1 47 ASP H . . 5.500 4.815 4.172 5.565 0.065 8 0 "[ . 1 . 2]" 1
592 1 27 MET HG3 1 48 PHE QE . . 4.410 2.872 2.427 3.210 . 0 0 "[ . 1 . 2]" 1
593 1 27 MET HG3 1 48 PHE HZ . . 4.190 2.766 2.444 3.634 . 0 0 "[ . 1 . 2]" 1
594 1 28 ARG H 1 28 ARG HG2 . . 4.210 2.739 2.560 2.897 . 0 0 "[ . 1 . 2]" 1
595 1 28 ARG H 1 28 ARG HG3 . . 3.810 3.436 3.282 3.583 . 0 0 "[ . 1 . 2]" 1
596 1 28 ARG H 1 46 GLN HA . . 4.750 4.434 4.212 4.637 . 0 0 "[ . 1 . 2]" 1
597 1 28 ARG H 1 47 ASP H . . 3.540 2.922 2.794 3.119 . 0 0 "[ . 1 . 2]" 1
598 1 28 ARG H 1 47 ASP HB2 . . 5.460 5.460 5.097 5.533 0.073 17 0 "[ . 1 . 2]" 1
599 1 28 ARG H 1 47 ASP HB3 . . 4.670 4.230 3.958 4.415 . 0 0 "[ . 1 . 2]" 1
600 1 28 ARG H 1 48 PHE HA . . 4.170 4.020 3.729 4.236 0.066 3 0 "[ . 1 . 2]" 1
601 1 28 ARG HA 1 28 ARG HG2 . . 4.170 3.832 3.801 3.871 . 0 0 "[ . 1 . 2]" 1
602 1 28 ARG HA 1 29 GLN H . . 3.120 2.386 2.294 2.531 . 0 0 "[ . 1 . 2]" 1
603 1 28 ARG HB2 1 28 ARG HD2 . . 4.000 2.459 2.372 2.523 . 0 0 "[ . 1 . 2]" 1
604 1 28 ARG HB2 1 28 ARG HD3 . . 4.170 2.989 2.802 3.094 . 0 0 "[ . 1 . 2]" 1
605 1 28 ARG HB2 1 29 GLN H . . 3.710 2.624 2.399 3.023 . 0 0 "[ . 1 . 2]" 1
606 1 28 ARG HB2 1 29 GLN HA . . 5.060 4.527 4.413 4.668 . 0 0 "[ . 1 . 2]" 1
607 1 28 ARG HB3 1 28 ARG HD2 . . 4.060 3.064 2.921 3.192 . 0 0 "[ . 1 . 2]" 1
608 1 28 ARG HB3 1 28 ARG HD3 . . 4.190 2.473 2.395 2.569 . 0 0 "[ . 1 . 2]" 1
609 1 28 ARG HB3 1 29 GLN H . . 4.270 3.946 3.820 4.208 . 0 0 "[ . 1 . 2]" 1
610 1 28 ARG HE 1 47 ASP HB2 . . 4.050 3.014 2.577 3.367 . 0 0 "[ . 1 . 2]" 1
611 1 28 ARG HE 1 47 ASP HB3 . . 3.930 1.800 1.634 2.107 . 0 0 "[ . 1 . 2]" 1
612 1 28 ARG HG2 1 47 ASP HB2 . . 4.110 4.097 3.701 4.185 0.075 16 0 "[ . 1 . 2]" 1
613 1 28 ARG HG2 1 47 ASP HB3 . . 3.650 2.440 2.319 2.678 . 0 0 "[ . 1 . 2]" 1
614 1 28 ARG HG3 1 47 ASP H . . 4.980 3.220 2.848 3.549 . 0 0 "[ . 1 . 2]" 1
615 1 28 ARG HG3 1 47 ASP HB2 . . 3.970 3.780 3.227 3.986 0.016 5 0 "[ . 1 . 2]" 1
616 1 28 ARG HG3 1 47 ASP HB3 . . 3.880 2.584 2.405 3.042 . 0 0 "[ . 1 . 2]" 1
617 1 29 GLN H 1 29 GLN QB . . 3.610 3.197 2.659 3.380 . 0 0 "[ . 1 . 2]" 1
618 1 29 GLN H 1 29 GLN QG . . 3.620 2.565 2.208 3.680 0.060 15 0 "[ . 1 . 2]" 1
619 1 29 GLN HA 1 29 GLN QG . . 3.930 3.395 2.881 3.546 . 0 0 "[ . 1 . 2]" 1
620 1 29 GLN HA 1 30 ARG H . . 3.030 2.313 2.067 2.461 . 0 0 "[ . 1 . 2]" 1
621 1 29 GLN HA 1 30 ARG QG . . 4.210 3.636 3.379 3.926 . 0 0 "[ . 1 . 2]" 1
622 1 29 GLN HA 1 45 THR HA . . 4.540 4.607 4.524 4.625 0.085 14 0 "[ . 1 . 2]" 1
623 1 29 GLN HA 1 46 GLN H . . 4.900 4.616 4.381 4.815 . 0 0 "[ . 1 . 2]" 1
624 1 29 GLN HA 1 46 GLN HA . . 3.370 2.234 2.043 2.500 . 0 0 "[ . 1 . 2]" 1
625 1 29 GLN HA 1 46 GLN QB . . 4.510 3.833 3.149 4.576 0.066 13 0 "[ . 1 . 2]" 1
626 1 29 GLN HA 1 46 GLN QG . . 5.340 4.295 3.029 5.153 . 0 0 "[ . 1 . 2]" 1
627 1 29 GLN HA 1 47 ASP H . . 3.960 3.561 3.304 4.030 0.070 1 0 "[ . 1 . 2]" 1
628 1 29 GLN QB 1 30 ARG H . . 3.670 2.556 2.063 3.583 . 0 0 "[ . 1 . 2]" 1
629 1 29 GLN QB 1 46 GLN HA . . 4.210 2.984 2.617 3.462 . 0 0 "[ . 1 . 2]" 1
630 1 29 GLN QB 1 46 GLN HE21 . . 5.500 4.065 2.529 5.545 0.045 7 0 "[ . 1 . 2]" 1
631 1 29 GLN QB 1 46 GLN HE22 . . 5.500 4.929 3.165 5.596 0.096 15 0 "[ . 1 . 2]" 1
632 1 29 GLN QG 1 30 ARG H . . 4.530 3.735 2.038 4.597 0.067 20 0 "[ . 1 . 2]" 1
633 1 30 ARG H 1 30 ARG HB3 . . 3.930 3.356 2.838 3.505 . 0 0 "[ . 1 . 2]" 1
634 1 30 ARG H 1 30 ARG QD . . 4.570 4.371 3.708 4.646 0.076 10 0 "[ . 1 . 2]" 1
635 1 30 ARG H 1 30 ARG QG . . 3.410 2.427 1.947 2.837 . 0 0 "[ . 1 . 2]" 1
636 1 30 ARG H 1 31 MET H . . 4.670 4.405 4.304 4.560 . 0 0 "[ . 1 . 2]" 1
637 1 30 ARG H 1 45 THR HA . . 4.040 3.390 3.174 3.677 . 0 0 "[ . 1 . 2]" 1
638 1 30 ARG H 1 45 THR HB . . 3.930 3.160 2.602 3.969 0.039 1 0 "[ . 1 . 2]" 1
639 1 30 ARG H 1 45 THR MG . . 4.570 4.100 3.774 4.674 0.104 3 0 "[ . 1 . 2]" 1
640 1 30 ARG H 1 46 GLN H . . 5.010 4.935 4.765 5.070 0.060 10 0 "[ . 1 . 2]" 1
641 1 30 ARG H 1 46 GLN HA . . 4.220 3.786 3.490 4.121 . 0 0 "[ . 1 . 2]" 1
642 1 30 ARG H 1 47 ASP H . . 5.500 5.550 5.255 5.593 0.093 3 0 "[ . 1 . 2]" 1
643 1 30 ARG HA 1 30 ARG QD . . 4.840 4.290 4.102 4.842 0.002 16 0 "[ . 1 . 2]" 1
644 1 30 ARG HA 1 31 MET H . . 3.110 2.577 2.292 2.833 . 0 0 "[ . 1 . 2]" 1
645 1 30 ARG HB2 1 30 ARG QD . . 3.570 2.494 2.226 3.260 . 0 0 "[ . 1 . 2]" 1
646 1 30 ARG HB2 1 31 MET H . . 3.540 2.291 2.024 2.569 . 0 0 "[ . 1 . 2]" 1
647 1 30 ARG HB3 1 31 MET H . . 3.720 3.708 3.556 3.801 0.081 19 0 "[ . 1 . 2]" 1
648 1 30 ARG QD 1 45 THR HA . . 4.710 4.081 2.207 4.777 0.067 7 0 "[ . 1 . 2]" 1
649 1 30 ARG HE 1 45 THR HA . . 4.390 3.332 2.299 4.482 0.092 14 0 "[ . 1 . 2]" 1
650 1 30 ARG QG 1 45 THR H . . 5.500 4.825 4.388 5.176 . 0 0 "[ . 1 . 2]" 1
651 1 30 ARG QG 1 45 THR HA . . 3.250 2.335 1.934 2.748 . 0 0 "[ . 1 . 2]" 1
652 1 30 ARG QG 1 46 GLN H . . 5.500 4.573 4.164 4.959 . 0 0 "[ . 1 . 2]" 1
653 1 31 MET H 1 31 MET HB2 . . 3.790 2.780 2.405 3.150 . 0 0 "[ . 1 . 2]" 1
654 1 31 MET H 1 31 MET QB . . 3.210 2.440 2.311 2.608 . 0 0 "[ . 1 . 2]" 1
655 1 31 MET H 1 31 MET HB3 . . 3.790 2.948 2.443 3.774 . 0 0 "[ . 1 . 2]" 1
656 1 31 MET H 1 31 MET QG . . 4.320 3.710 2.484 4.215 . 0 0 "[ . 1 . 2]" 1
657 1 31 MET H 1 32 LEU H . . 4.820 4.444 4.254 4.604 . 0 0 "[ . 1 . 2]" 1
658 1 31 MET HA 1 31 MET QG . . 3.580 2.480 2.240 3.108 . 0 0 "[ . 1 . 2]" 1
659 1 31 MET HA 1 32 LEU H . . 2.930 2.271 2.112 2.366 . 0 0 "[ . 1 . 2]" 1
660 1 31 MET HA 1 32 LEU QB . . 4.520 3.982 3.881 4.121 . 0 0 "[ . 1 . 2]" 1
661 1 31 MET QB 1 32 LEU H . . 4.000 3.349 2.450 3.995 . 0 0 "[ . 1 . 2]" 1
662 1 31 MET HB2 1 32 LEU H . . 4.690 4.106 3.697 4.669 . 0 0 "[ . 1 . 2]" 1
663 1 31 MET HB3 1 32 LEU H . . 4.690 3.610 2.486 4.342 . 0 0 "[ . 1 . 2]" 1
664 1 31 MET QG 1 32 LEU H . . 4.090 2.930 2.183 4.145 0.055 20 0 "[ . 1 . 2]" 1
665 1 32 LEU H 1 32 LEU HB2 . . 3.330 2.534 2.297 2.816 . 0 0 "[ . 1 . 2]" 1
666 1 32 LEU H 1 32 LEU QB . . 2.810 2.216 2.123 2.317 . 0 0 "[ . 1 . 2]" 1
667 1 32 LEU H 1 32 LEU HB3 . . 3.330 2.474 2.315 2.652 . 0 0 "[ . 1 . 2]" 1
668 1 32 LEU H 1 32 LEU MD2 . . 4.490 4.131 3.823 4.308 . 0 0 "[ . 1 . 2]" 1
669 1 32 LEU H 1 32 LEU HG . . 4.780 4.579 4.490 4.700 . 0 0 "[ . 1 . 2]" 1
670 1 32 LEU HA 1 32 LEU MD2 . . 3.130 2.127 1.988 2.238 . 0 0 "[ . 1 . 2]" 1
671 1 32 LEU HA 1 32 LEU HG . . 3.870 3.751 3.705 3.834 . 0 0 "[ . 1 . 2]" 1
672 1 32 LEU HA 1 33 LYS H . . 3.140 2.214 2.156 2.293 . 0 0 "[ . 1 . 2]" 1
673 1 32 LEU HB2 1 32 LEU MD2 . . 3.600 2.440 2.270 2.554 . 0 0 "[ . 1 . 2]" 1
674 1 32 LEU HB3 1 32 LEU MD2 . . 3.600 3.249 3.203 3.275 . 0 0 "[ . 1 . 2]" 1
675 1 32 LEU MD1 1 33 LYS H . . 3.780 2.869 2.117 3.503 . 0 0 "[ . 1 . 2]" 1
676 1 32 LEU MD1 1 35 GLN H . . 3.780 3.473 3.228 3.693 . 0 0 "[ . 1 . 2]" 1
677 1 32 LEU MD1 1 35 GLN HB2 . . 4.940 3.730 3.609 3.812 . 0 0 "[ . 1 . 2]" 1
678 1 32 LEU MD1 1 35 GLN HB3 . . 5.120 2.134 2.066 2.208 . 0 0 "[ . 1 . 2]" 1
679 1 32 LEU MD1 1 42 CYS HB2 . . 5.250 3.852 3.536 4.397 . 0 0 "[ . 1 . 2]" 1
680 1 32 LEU MD2 1 33 LYS H . . 3.550 2.695 2.424 3.110 . 0 0 "[ . 1 . 2]" 1
681 1 32 LEU MD2 1 33 LYS HA . . 5.310 4.959 4.759 5.378 0.068 5 0 "[ . 1 . 2]" 1
682 1 32 LEU MD2 1 34 ALA H . . 3.630 3.074 2.661 3.712 0.082 15 0 "[ . 1 . 2]" 1
683 1 32 LEU MD2 1 34 ALA HA . . 5.420 4.594 4.238 5.210 . 0 0 "[ . 1 . 2]" 1
684 1 32 LEU MD2 1 35 GLN H . . 5.340 4.837 4.370 5.427 0.087 2 0 "[ . 1 . 2]" 1
685 1 32 LEU MD2 1 35 GLN HA . . 4.510 3.690 3.010 4.484 . 0 0 "[ . 1 . 2]" 1
686 1 32 LEU MD2 1 35 GLN HB2 . . 4.630 3.993 3.552 4.689 0.059 2 0 "[ . 1 . 2]" 1
687 1 32 LEU MD2 1 35 GLN HB3 . . 4.410 2.907 2.495 3.764 . 0 0 "[ . 1 . 2]" 1
688 1 32 LEU MD2 1 42 CYS HA . . 5.460 4.570 4.283 4.881 . 0 0 "[ . 1 . 2]" 1
689 1 32 LEU MD2 1 42 CYS HB2 . . 3.290 2.203 1.896 2.624 . 0 0 "[ . 1 . 2]" 1
690 1 32 LEU MD2 1 42 CYS HB3 . . 3.510 2.813 2.316 3.588 0.078 18 0 "[ . 1 . 2]" 1
691 1 32 LEU HG 1 34 ALA H . . 5.290 5.155 4.873 5.351 0.061 1 0 "[ . 1 . 2]" 1
692 1 32 LEU HG 1 35 GLN HB3 . . 3.500 3.509 3.206 3.587 0.087 15 0 "[ . 1 . 2]" 1
693 1 32 LEU HG 1 41 PRO HA . . 5.070 4.704 4.000 5.126 0.056 2 0 "[ . 1 . 2]" 1
694 1 32 LEU HG 1 42 CYS H . . 4.380 3.356 2.818 3.826 . 0 0 "[ . 1 . 2]" 1
695 1 32 LEU HG 1 42 CYS HA . . 5.500 5.287 4.987 5.578 0.078 4 0 "[ . 1 . 2]" 1
696 1 32 LEU HG 1 42 CYS HB2 . . 3.770 2.548 2.100 3.172 . 0 0 "[ . 1 . 2]" 1
697 1 32 LEU HG 1 42 CYS HB3 . . 4.760 4.124 3.642 4.826 0.066 15 0 "[ . 1 . 2]" 1
698 1 33 LYS H 1 33 LYS HB2 . . 3.420 2.312 2.198 2.508 . 0 0 "[ . 1 . 2]" 1
699 1 33 LYS H 1 33 LYS HB3 . . 3.880 3.579 3.519 3.697 . 0 0 "[ . 1 . 2]" 1
700 1 33 LYS H 1 34 ALA H . . 3.050 2.463 2.223 2.700 . 0 0 "[ . 1 . 2]" 1
701 1 33 LYS HA 1 33 LYS QE . . 4.410 4.091 1.988 4.500 0.090 8 0 "[ . 1 . 2]" 1
702 1 33 LYS HA 1 33 LYS QG . . 3.420 2.348 2.148 2.698 . 0 0 "[ . 1 . 2]" 1
703 1 33 LYS HB2 1 33 LYS QE . . 3.850 2.653 1.924 3.419 . 0 0 "[ . 1 . 2]" 1
704 1 33 LYS HB2 1 34 ALA H . . 3.840 2.598 2.269 2.970 . 0 0 "[ . 1 . 2]" 1
705 1 33 LYS HB3 1 33 LYS QE . . 3.750 2.366 1.943 3.145 . 0 0 "[ . 1 . 2]" 1
706 1 33 LYS HB3 1 34 ALA H . . 3.940 3.345 3.091 3.678 . 0 0 "[ . 1 . 2]" 1
707 1 33 LYS QG 1 34 ALA H . . 4.890 4.232 3.952 4.432 . 0 0 "[ . 1 . 2]" 1
708 1 34 ALA H 1 34 ALA MB . . 3.300 2.710 2.551 2.824 . 0 0 "[ . 1 . 2]" 1
709 1 34 ALA H 1 35 GLN H . . 4.610 4.337 4.260 4.420 . 0 0 "[ . 1 . 2]" 1
710 1 34 ALA HA 1 35 GLN H . . 2.780 2.427 2.292 2.536 . 0 0 "[ . 1 . 2]" 1
711 1 34 ALA HA 1 35 GLN HB3 . . 4.330 4.362 4.283 4.399 0.069 14 0 "[ . 1 . 2]" 1
712 1 34 ALA HA 1 35 GLN HG2 . . 4.680 3.936 3.596 4.258 . 0 0 "[ . 1 . 2]" 1
713 1 34 ALA MB 1 35 GLN H . . 3.120 2.511 2.297 2.815 . 0 0 "[ . 1 . 2]" 1
714 1 35 GLN H 1 35 GLN HB2 . . 4.060 3.924 3.810 4.026 . 0 0 "[ . 1 . 2]" 1
715 1 35 GLN H 1 35 GLN HB3 . . 3.320 3.266 3.028 3.382 0.062 13 0 "[ . 1 . 2]" 1
716 1 35 GLN H 1 35 GLN HG3 . . 4.920 3.561 3.331 3.899 . 0 0 "[ . 1 . 2]" 1
717 1 35 GLN H 1 36 LEU H . . 4.340 4.297 4.210 4.399 0.059 2 0 "[ . 1 . 2]" 1
718 1 35 GLN H 1 36 LEU QD . . 4.540 4.325 3.963 4.613 0.073 11 0 "[ . 1 . 2]" 1
719 1 35 GLN HA 1 36 LEU H . . 3.210 2.253 2.177 2.433 . 0 0 "[ . 1 . 2]" 1
720 1 35 GLN HB2 1 35 GLN QE . . 4.280 2.788 2.440 3.280 . 0 0 "[ . 1 . 2]" 1
721 1 35 GLN HB2 1 35 GLN HE22 . . 5.100 4.077 3.786 4.455 . 0 0 "[ . 1 . 2]" 1
722 1 35 GLN HB2 1 36 LEU H . . 4.660 3.062 2.510 3.291 . 0 0 "[ . 1 . 2]" 1
723 1 35 GLN HB2 1 41 PRO HA . . 4.540 4.557 4.045 4.622 0.082 11 0 "[ . 1 . 2]" 1
724 1 35 GLN QE 1 35 GLN HG3 . . 3.400 2.448 2.262 2.547 . 0 0 "[ . 1 . 2]" 1
725 1 35 GLN QE 1 38 LEU MD1 . . 3.950 3.516 3.232 3.839 . 0 0 "[ . 1 . 2]" 1
726 1 35 GLN QE 1 39 SER H . . 4.830 4.243 3.902 4.561 . 0 0 "[ . 1 . 2]" 1
727 1 35 GLN QE 1 40 VAL H . . 3.880 2.945 2.701 3.555 . 0 0 "[ . 1 . 2]" 1
728 1 35 GLN QE 1 41 PRO HA . . 3.070 2.086 1.775 2.271 . 0 0 "[ . 1 . 2]" 1
729 1 35 GLN QE 1 41 PRO HB2 . . 4.480 4.368 3.663 4.563 0.083 20 0 "[ . 1 . 2]" 1
730 1 35 GLN QE 1 42 CYS H . . 4.010 3.894 3.595 4.085 0.075 12 0 "[ . 1 . 2]" 1
731 1 35 GLN HE21 1 38 LEU HA . . 3.650 2.793 2.422 3.260 . 0 0 "[ . 1 . 2]" 1
732 1 35 GLN HE21 1 38 LEU MD1 . . 4.520 4.002 3.676 4.428 . 0 0 "[ . 1 . 2]" 1
733 1 35 GLN HE21 1 39 SER H . . 5.500 4.469 4.070 4.854 . 0 0 "[ . 1 . 2]" 1
734 1 35 GLN HE21 1 40 VAL H . . 4.610 3.049 2.788 3.757 . 0 0 "[ . 1 . 2]" 1
735 1 35 GLN HE21 1 41 PRO HA . . 3.510 2.901 2.649 3.045 . 0 0 "[ . 1 . 2]" 1
736 1 35 GLN HE21 1 42 CYS H . . 4.690 4.733 4.577 4.766 0.076 1 0 "[ . 1 . 2]" 1
737 1 35 GLN HE22 1 35 GLN HG3 . . 3.960 3.610 3.545 3.676 . 0 0 "[ . 1 . 2]" 1
738 1 35 GLN HE22 1 38 LEU HA . . 3.650 3.263 2.975 3.672 0.022 8 0 "[ . 1 . 2]" 1
739 1 35 GLN HE22 1 38 LEU MD1 . . 4.520 3.905 3.553 4.209 . 0 0 "[ . 1 . 2]" 1
740 1 35 GLN HE22 1 39 SER H . . 5.500 5.297 4.947 5.540 0.040 17 0 "[ . 1 . 2]" 1
741 1 35 GLN HE22 1 40 VAL H . . 4.610 3.905 3.440 4.468 . 0 0 "[ . 1 . 2]" 1
742 1 35 GLN HE22 1 41 PRO HA . . 3.510 2.148 1.791 2.367 . 0 0 "[ . 1 . 2]" 1
743 1 35 GLN HE22 1 42 CYS H . . 4.690 4.154 3.759 4.462 . 0 0 "[ . 1 . 2]" 1
744 1 35 GLN HG2 1 37 ASP H . . 4.410 4.428 4.152 4.488 0.078 10 0 "[ . 1 . 2]" 1
745 1 35 GLN HG3 1 36 LEU H . . 5.080 4.076 3.391 4.347 . 0 0 "[ . 1 . 2]" 1
746 1 35 GLN HG3 1 37 ASP H . . 3.880 2.998 2.749 3.110 . 0 0 "[ . 1 . 2]" 1
747 1 35 GLN HG3 1 37 ASP HA . . 4.390 4.397 4.211 4.466 0.076 1 0 "[ . 1 . 2]" 1
748 1 35 GLN HG3 1 38 LEU H . . 5.230 3.668 3.384 3.876 . 0 0 "[ . 1 . 2]" 1
749 1 35 GLN HG3 1 38 LEU HA . . 4.090 2.383 2.267 2.614 . 0 0 "[ . 1 . 2]" 1
750 1 35 GLN HG3 1 41 PRO HA . . 5.320 5.098 4.353 5.301 . 0 0 "[ . 1 . 2]" 1
751 1 36 LEU H 1 36 LEU QB . . 3.290 2.350 2.173 2.613 . 0 0 "[ . 1 . 2]" 1
752 1 36 LEU H 1 36 LEU MD1 . . 3.940 3.044 2.266 4.028 0.088 18 0 "[ . 1 . 2]" 1
753 1 36 LEU H 1 36 LEU QD . . 3.320 2.493 2.071 3.138 . 0 0 "[ . 1 . 2]" 1
754 1 36 LEU H 1 36 LEU MD2 . . 3.940 3.423 2.080 4.020 0.080 4 0 "[ . 1 . 2]" 1
755 1 36 LEU H 1 36 LEU HG . . 3.820 3.432 2.289 3.901 0.081 6 0 "[ . 1 . 2]" 1
756 1 36 LEU H 1 37 ASP H . . 3.300 2.423 2.170 2.589 . 0 0 "[ . 1 . 2]" 1
757 1 36 LEU H 1 38 LEU MD2 . . 5.000 4.866 4.366 5.080 0.080 5 0 "[ . 1 . 2]" 1
758 1 36 LEU HA 1 36 LEU QB . . 2.710 2.403 2.275 2.492 . 0 0 "[ . 1 . 2]" 1
759 1 36 LEU HA 1 36 LEU MD1 . . 4.230 3.005 2.257 3.808 . 0 0 "[ . 1 . 2]" 1
760 1 36 LEU HA 1 36 LEU QD . . 2.770 2.482 2.119 2.851 0.081 2 0 "[ . 1 . 2]" 1
761 1 36 LEU HA 1 36 LEU MD2 . . 4.230 3.147 2.130 3.797 . 0 0 "[ . 1 . 2]" 1
762 1 36 LEU HA 1 36 LEU HG . . 3.940 2.917 2.313 3.880 . 0 0 "[ . 1 . 2]" 1
763 1 36 LEU QB 1 37 ASP H . . 4.360 2.992 2.492 3.415 . 0 0 "[ . 1 . 2]" 1
764 1 36 LEU QB 1 37 ASP QB . . 4.160 3.625 3.331 3.951 . 0 0 "[ . 1 . 2]" 1
765 1 36 LEU QD 1 37 ASP H . . 4.270 4.073 3.872 4.299 0.029 16 0 "[ . 1 . 2]" 1
766 1 36 LEU MD1 1 37 ASP H . . 5.070 4.576 4.068 5.174 0.104 14 0 "[ . 1 . 2]" 1
767 1 36 LEU MD2 1 37 ASP H . . 5.070 4.756 4.080 5.161 0.091 1 0 "[ . 1 . 2]" 1
768 1 36 LEU HG 1 37 ASP H . . 5.490 4.987 4.248 5.430 . 0 0 "[ . 1 . 2]" 1
769 1 37 ASP H 1 37 ASP HB2 . . 3.700 2.998 2.306 3.700 0.000 20 0 "[ . 1 . 2]" 1
770 1 37 ASP H 1 37 ASP QB . . 3.240 2.541 2.277 2.942 . 0 0 "[ . 1 . 2]" 1
771 1 37 ASP H 1 37 ASP HB3 . . 3.700 2.902 2.565 3.593 . 0 0 "[ . 1 . 2]" 1
772 1 37 ASP HA 1 38 LEU H . . 3.050 2.214 2.128 2.423 . 0 0 "[ . 1 . 2]" 1
773 1 37 ASP QB 1 39 SER H . . 4.880 3.786 3.131 4.242 . 0 0 "[ . 1 . 2]" 1
774 1 37 ASP QB 1 40 VAL H . . 3.840 3.138 2.636 3.476 . 0 0 "[ . 1 . 2]" 1
775 1 37 ASP QB 1 40 VAL HB . . 3.370 2.353 2.075 2.699 . 0 0 "[ . 1 . 2]" 1
776 1 37 ASP QB 1 40 VAL MG1 . . 3.820 3.619 3.335 3.925 0.105 20 0 "[ . 1 . 2]" 1
777 1 37 ASP QB 1 40 VAL MG2 . . 3.620 3.312 2.756 3.683 0.063 1 0 "[ . 1 . 2]" 1
778 1 37 ASP HB2 1 40 VAL MG2 . . 4.420 4.182 3.152 4.509 0.089 18 0 "[ . 1 . 2]" 1
779 1 37 ASP HB3 1 40 VAL MG2 . . 4.420 3.585 2.811 4.508 0.088 20 0 "[ . 1 . 2]" 1
780 1 38 LEU H 1 38 LEU HB2 . . 2.950 2.257 2.130 2.384 . 0 0 "[ . 1 . 2]" 1
781 1 38 LEU H 1 38 LEU HB3 . . 3.740 3.531 3.444 3.615 . 0 0 "[ . 1 . 2]" 1
782 1 38 LEU H 1 38 LEU MD2 . . 3.540 2.335 2.138 2.588 . 0 0 "[ . 1 . 2]" 1
783 1 38 LEU H 1 38 LEU HG . . 4.070 3.966 3.816 4.139 0.069 15 0 "[ . 1 . 2]" 1
784 1 38 LEU H 1 40 VAL H . . 4.340 4.300 4.134 4.401 0.061 15 0 "[ . 1 . 2]" 1
785 1 38 LEU HA 1 38 LEU MD1 . . 3.140 2.142 2.069 2.199 . 0 0 "[ . 1 . 2]" 1
786 1 38 LEU HA 1 38 LEU MD2 . . 3.950 2.566 2.302 2.803 . 0 0 "[ . 1 . 2]" 1
787 1 38 LEU HA 1 38 LEU HG . . 3.930 3.713 3.612 3.780 . 0 0 "[ . 1 . 2]" 1
788 1 38 LEU HA 1 40 VAL H . . 4.140 3.839 3.609 4.213 0.073 6 0 "[ . 1 . 2]" 1
789 1 38 LEU HB2 1 39 SER H . . 4.000 3.335 2.953 3.715 . 0 0 "[ . 1 . 2]" 1
790 1 38 LEU HB3 1 39 SER H . . 4.260 3.836 3.399 4.087 . 0 0 "[ . 1 . 2]" 1
791 1 38 LEU MD2 1 39 SER H . . 4.440 4.391 4.201 4.517 0.077 15 0 "[ . 1 . 2]" 1
792 1 39 SER H 1 39 SER HB2 . . 3.730 2.496 2.220 3.670 . 0 0 "[ . 1 . 2]" 1
793 1 39 SER H 1 39 SER QB . . 3.160 2.358 2.123 2.703 . 0 0 "[ . 1 . 2]" 1
794 1 39 SER H 1 39 SER HB3 . . 3.730 3.195 2.480 3.670 . 0 0 "[ . 1 . 2]" 1
795 1 39 SER H 1 40 VAL H . . 2.900 2.509 2.193 2.898 . 0 0 "[ . 1 . 2]" 1
796 1 39 SER H 1 40 VAL HB . . 4.770 4.431 4.070 4.802 0.032 17 0 "[ . 1 . 2]" 1
797 1 39 SER H 1 40 VAL MG2 . . 4.220 3.936 3.578 4.193 . 0 0 "[ . 1 . 2]" 1
798 1 39 SER HA 1 40 VAL HB . . 5.500 5.578 5.501 5.591 0.091 16 0 "[ . 1 . 2]" 1
799 1 39 SER QB 1 40 VAL H . . 3.550 3.332 2.804 3.647 0.097 18 0 "[ . 1 . 2]" 1
800 1 39 SER QB 1 40 VAL MG2 . . 3.710 2.753 2.535 3.364 . 0 0 "[ . 1 . 2]" 1
801 1 39 SER HB2 1 40 VAL H . . 4.290 3.762 2.855 4.358 0.068 20 0 "[ . 1 . 2]" 1
802 1 39 SER HB2 1 40 VAL MG2 . . 4.220 3.421 2.600 4.306 0.086 11 0 "[ . 1 . 2]" 1
803 1 39 SER HB3 1 40 VAL H . . 4.290 3.981 3.389 4.357 0.067 10 0 "[ . 1 . 2]" 1
804 1 39 SER HB3 1 40 VAL MG2 . . 4.220 3.301 2.581 4.283 0.063 18 0 "[ . 1 . 2]" 1
805 1 40 VAL H 1 40 VAL HB . . 3.180 2.501 2.168 2.677 . 0 0 "[ . 1 . 2]" 1
806 1 40 VAL H 1 40 VAL MG1 . . 4.110 3.810 3.671 3.901 . 0 0 "[ . 1 . 2]" 1
807 1 40 VAL H 1 40 VAL MG2 . . 3.440 2.905 2.570 3.139 . 0 0 "[ . 1 . 2]" 1
808 1 40 VAL H 1 41 PRO QD . . 4.100 3.937 3.481 4.174 0.074 6 0 "[ . 1 . 2]" 1
809 1 40 VAL HA 1 40 VAL MG1 . . 3.000 2.470 2.410 2.558 . 0 0 "[ . 1 . 2]" 1
810 1 40 VAL HA 1 40 VAL MG2 . . 3.400 2.311 2.204 2.466 . 0 0 "[ . 1 . 2]" 1
811 1 40 VAL HA 1 41 PRO QD . . 2.680 2.030 1.978 2.062 . 0 0 "[ . 1 . 2]" 1
812 1 40 VAL HA 1 41 PRO QG . . 3.970 3.958 3.905 3.998 0.028 15 0 "[ . 1 . 2]" 1
813 1 40 VAL MG1 1 41 PRO QD . . 3.430 2.953 2.454 3.517 0.087 18 0 "[ . 1 . 2]" 1
814 1 40 VAL MG1 1 41 PRO QG . . 4.870 4.096 3.635 4.735 . 0 0 "[ . 1 . 2]" 1
815 1 40 VAL MG2 1 41 PRO QD . . 3.590 3.627 3.456 3.707 0.117 18 0 "[ . 1 . 2]" 1
816 1 41 PRO HA 1 42 CYS H . . 2.820 2.368 2.275 2.459 . 0 0 "[ . 1 . 2]" 1
817 1 41 PRO HA 1 42 CYS HA . . 4.640 4.447 4.357 4.534 . 0 0 "[ . 1 . 2]" 1
818 1 41 PRO HA 1 42 CYS HB2 . . 5.000 4.435 4.050 4.777 . 0 0 "[ . 1 . 2]" 1
819 1 41 PRO HB2 1 42 CYS H . . 3.540 2.522 2.314 2.760 . 0 0 "[ . 1 . 2]" 1
820 1 41 PRO HB2 1 42 CYS HA . . 4.260 4.336 4.319 4.344 0.084 13 0 "[ . 1 . 2]" 1
821 1 41 PRO HB3 1 42 CYS H . . 3.690 3.432 3.309 3.578 . 0 0 "[ . 1 . 2]" 1
822 1 41 PRO QD 1 42 CYS H . . 5.060 4.867 4.785 4.955 . 0 0 "[ . 1 . 2]" 1
823 1 41 PRO QG 1 42 CYS H . . 4.430 4.084 3.858 4.318 . 0 0 "[ . 1 . 2]" 1
824 1 42 CYS H 1 42 CYS HB2 . . 3.520 2.499 2.345 2.690 . 0 0 "[ . 1 . 2]" 1
825 1 42 CYS H 1 42 CYS HB3 . . 3.950 3.671 3.504 3.782 . 0 0 "[ . 1 . 2]" 1
826 1 42 CYS H 1 43 PRO HD2 . . 4.680 4.241 3.888 4.604 . 0 0 "[ . 1 . 2]" 1
827 1 42 CYS H 1 43 PRO QD . . 3.930 3.469 3.097 3.882 . 0 0 "[ . 1 . 2]" 1
828 1 42 CYS H 1 43 PRO HD3 . . 4.680 3.683 3.254 4.181 . 0 0 "[ . 1 . 2]" 1
829 1 42 CYS HA 1 43 PRO HD2 . . 3.730 2.065 2.037 2.127 . 0 0 "[ . 1 . 2]" 1
830 1 42 CYS HA 1 43 PRO QD . . 2.940 2.024 1.983 2.095 . 0 0 "[ . 1 . 2]" 1
831 1 42 CYS HA 1 43 PRO HD3 . . 3.730 2.930 2.609 3.149 . 0 0 "[ . 1 . 2]" 1
832 1 42 CYS HA 1 43 PRO QG . . 3.780 3.869 3.857 3.879 0.099 11 0 "[ . 1 . 2]" 1
833 1 42 CYS HA 1 44 ASP H . . 3.980 3.376 3.235 3.555 . 0 0 "[ . 1 . 2]" 1
834 1 42 CYS HB2 1 44 ASP H . . 4.810 4.462 4.000 4.876 0.066 17 0 "[ . 1 . 2]" 1
835 1 42 CYS HB2 1 45 THR MG . . 4.900 3.996 3.365 4.924 0.024 9 0 "[ . 1 . 2]" 1
836 1 42 CYS HB3 1 44 ASP H . . 4.790 3.466 2.846 3.924 . 0 0 "[ . 1 . 2]" 1
837 1 42 CYS HB3 1 45 THR MG . . 4.250 4.223 3.663 4.345 0.095 9 0 "[ . 1 . 2]" 1
838 1 43 PRO HA 1 45 THR MG . . 5.140 3.504 2.428 4.095 . 0 0 "[ . 1 . 2]" 1
839 1 43 PRO QD 1 44 ASP H . . 3.540 3.143 2.684 3.523 . 0 0 "[ . 1 . 2]" 1
840 1 43 PRO HD2 1 44 ASP H . . 4.300 3.248 2.738 3.714 . 0 0 "[ . 1 . 2]" 1
841 1 43 PRO HD3 1 44 ASP H . . 4.300 4.203 3.866 4.378 0.078 10 0 "[ . 1 . 2]" 1
842 1 43 PRO QG 1 44 ASP H . . 4.290 3.151 2.542 3.752 . 0 0 "[ . 1 . 2]" 1
843 1 44 ASP H 1 44 ASP HB2 . . 3.300 2.317 2.092 2.784 . 0 0 "[ . 1 . 2]" 1
844 1 44 ASP H 1 44 ASP HB3 . . 3.760 3.546 3.372 3.724 . 0 0 "[ . 1 . 2]" 1
845 1 44 ASP H 1 45 THR H . . 4.140 3.200 2.705 3.626 . 0 0 "[ . 1 . 2]" 1
846 1 44 ASP H 1 45 THR MG . . 4.400 3.792 3.245 4.141 . 0 0 "[ . 1 . 2]" 1
847 1 44 ASP H 1 46 GLN H . . 5.190 5.149 4.979 5.281 0.091 18 0 "[ . 1 . 2]" 1
848 1 44 ASP HA 1 45 THR H . . 3.130 2.900 2.436 3.184 0.054 14 0 "[ . 1 . 2]" 1
849 1 44 ASP HA 1 45 THR MG . . 4.840 4.746 4.328 4.951 0.111 14 0 "[ . 1 . 2]" 1
850 1 44 ASP HA 1 46 GLN H . . 3.730 3.140 2.912 3.358 . 0 0 "[ . 1 . 2]" 1
851 1 44 ASP HB2 1 45 THR H . . 4.950 4.213 3.727 4.563 . 0 0 "[ . 1 . 2]" 1
852 1 44 ASP HB3 1 45 THR H . . 4.470 4.417 4.234 4.542 0.072 10 0 "[ . 1 . 2]" 1
853 1 44 ASP HB3 1 46 GLN H . . 5.020 4.593 4.131 5.045 0.025 11 0 "[ . 1 . 2]" 1
854 1 45 THR H 1 45 THR MG . . 3.460 2.596 1.898 3.180 . 0 0 "[ . 1 . 2]" 1
855 1 45 THR H 1 46 GLN H . . 2.920 2.636 1.944 2.999 0.079 14 0 "[ . 1 . 2]" 1
856 1 45 THR H 1 46 GLN QB . . 5.310 4.720 3.922 5.314 0.004 14 0 "[ . 1 . 2]" 1
857 1 45 THR H 1 46 GLN HG2 . . 4.680 4.060 3.303 4.754 0.074 6 0 "[ . 1 . 2]" 1
858 1 45 THR H 1 46 GLN QG . . 3.900 3.563 3.239 3.990 0.090 10 0 "[ . 1 . 2]" 1
859 1 45 THR H 1 46 GLN HG3 . . 4.680 4.361 3.436 4.752 0.072 14 0 "[ . 1 . 2]" 1
860 1 45 THR HA 1 45 THR MG . . 3.070 2.299 2.122 2.556 . 0 0 "[ . 1 . 2]" 1
861 1 45 THR HB 1 46 GLN H . . 4.440 4.256 3.724 4.508 0.068 13 0 "[ . 1 . 2]" 1
862 1 45 THR MG 1 46 GLN H . . 4.370 4.356 4.120 4.444 0.074 6 0 "[ . 1 . 2]" 1
863 1 46 GLN H 1 46 GLN HB2 . . 4.160 3.260 2.541 3.893 . 0 0 "[ . 1 . 2]" 1
864 1 46 GLN H 1 46 GLN QB . . 3.480 2.919 2.499 3.266 . 0 0 "[ . 1 . 2]" 1
865 1 46 GLN H 1 46 GLN HB3 . . 4.160 3.596 3.093 3.918 . 0 0 "[ . 1 . 2]" 1
866 1 46 GLN H 1 46 GLN HG2 . . 3.960 2.900 2.017 3.944 . 0 0 "[ . 1 . 2]" 1
867 1 46 GLN H 1 46 GLN HG3 . . 3.960 2.996 2.520 3.890 . 0 0 "[ . 1 . 2]" 1
868 1 46 GLN HA 1 47 ASP H . . 2.990 2.245 2.160 2.360 . 0 0 "[ . 1 . 2]" 1
869 1 46 GLN QB 1 46 GLN QE . . 3.530 2.823 1.949 3.641 0.111 13 0 "[ . 1 . 2]" 1
870 1 46 GLN QB 1 47 ASP H . . 3.570 2.820 2.330 3.124 . 0 0 "[ . 1 . 2]" 1
871 1 46 GLN QB 1 48 PHE QE . . 3.780 2.890 2.639 3.083 . 0 0 "[ . 1 . 2]" 1
872 1 46 GLN HB2 1 48 PHE QE . . 4.450 3.337 2.939 4.325 . 0 0 "[ . 1 . 2]" 1
873 1 46 GLN HB3 1 48 PHE QE . . 4.450 3.734 2.758 4.530 0.080 4 0 "[ . 1 . 2]" 1
874 1 46 GLN QG 1 47 ASP H . . 5.020 4.235 3.790 4.726 . 0 0 "[ . 1 . 2]" 1
875 1 46 GLN HG2 1 48 PHE QE . . 5.500 5.302 4.626 5.592 0.092 6 0 "[ . 1 . 2]" 1
876 1 46 GLN HG3 1 48 PHE QE . . 5.500 4.586 3.197 5.583 0.083 18 0 "[ . 1 . 2]" 1
877 1 47 ASP H 1 47 ASP HB2 . . 3.850 3.228 2.956 3.363 . 0 0 "[ . 1 . 2]" 1
878 1 47 ASP H 1 47 ASP HB3 . . 3.930 2.906 2.745 3.168 . 0 0 "[ . 1 . 2]" 1
879 1 47 ASP HA 1 48 PHE H . . 3.040 2.349 2.227 2.473 . 0 0 "[ . 1 . 2]" 1
880 1 47 ASP HB2 1 48 PHE H . . 4.180 3.997 3.814 4.207 0.027 2 0 "[ . 1 . 2]" 1
881 1 47 ASP HB3 1 48 PHE H . . 4.180 3.706 3.476 3.906 . 0 0 "[ . 1 . 2]" 1
882 1 48 PHE H 1 48 PHE HB2 . . 3.680 2.717 2.602 2.810 . 0 0 "[ . 1 . 2]" 1
883 1 48 PHE H 1 48 PHE HB3 . . 3.960 3.790 3.725 3.864 . 0 0 "[ . 1 . 2]" 1
884 1 48 PHE H 1 48 PHE QD . . 4.040 3.059 2.831 3.227 . 0 0 "[ . 1 . 2]" 1
885 1 48 PHE H 1 49 GLN H . . 4.220 4.142 3.887 4.294 0.074 6 0 "[ . 1 . 2]" 1
886 1 48 PHE H 1 49 GLN HE22 . . 4.370 3.691 2.757 4.459 0.089 20 0 "[ . 1 . 2]" 1
887 1 48 PHE HA 1 48 PHE QD . . 3.850 3.176 3.054 3.345 . 0 0 "[ . 1 . 2]" 1
888 1 48 PHE HA 1 49 GLN H . . 3.020 2.247 2.171 2.312 . 0 0 "[ . 1 . 2]" 1
889 1 48 PHE HB2 1 49 GLN H . . 4.540 4.330 3.935 4.557 0.017 18 0 "[ . 1 . 2]" 1
890 1 48 PHE HB3 1 49 GLN H . . 4.000 3.452 2.897 3.936 . 0 0 "[ . 1 . 2]" 1
891 1 48 PHE QD 1 49 GLN H . . 4.790 4.505 4.141 4.832 0.042 18 0 "[ . 1 . 2]" 1
892 1 49 GLN H 1 49 GLN HB2 . . 4.090 2.620 2.310 2.907 . 0 0 "[ . 1 . 2]" 1
893 1 49 GLN H 1 49 GLN QB . . 3.430 2.554 2.275 2.796 . 0 0 "[ . 1 . 2]" 1
894 1 49 GLN H 1 49 GLN HB3 . . 4.090 3.605 3.103 3.830 . 0 0 "[ . 1 . 2]" 1
895 1 49 GLN H 1 50 PRO HD2 . . 5.020 4.862 4.787 4.942 . 0 0 "[ . 1 . 2]" 1
896 1 49 GLN H 1 50 PRO HD3 . . 5.360 5.085 4.813 5.315 . 0 0 "[ . 1 . 2]" 1
897 1 49 GLN QB 1 49 GLN HE21 . . 3.740 3.403 2.111 3.842 0.102 12 0 "[ . 1 . 2]" 1
898 1 49 GLN QB 1 49 GLN HE22 . . 4.160 4.041 3.605 4.259 0.099 16 0 "[ . 1 . 2]" 1
899 1 49 GLN QB 1 50 PRO HA . . 4.650 4.537 4.431 4.687 0.037 20 0 "[ . 1 . 2]" 1
900 1 49 GLN QB 1 50 PRO HD3 . . 3.850 3.623 3.354 3.955 0.105 20 0 "[ . 1 . 2]" 1
901 1 49 GLN HB2 1 49 GLN HE21 . . 4.370 3.683 2.126 4.388 0.018 12 0 "[ . 1 . 2]" 1
902 1 49 GLN HB2 1 50 PRO HD2 . . 3.850 3.776 3.630 3.922 0.072 19 0 "[ . 1 . 2]" 1
903 1 49 GLN HB3 1 49 GLN HE21 . . 4.370 4.187 3.565 4.436 0.066 1 0 "[ . 1 . 2]" 1
904 1 49 GLN HB3 1 50 PRO HD2 . . 3.850 2.333 2.090 3.253 . 0 0 "[ . 1 . 2]" 1
905 1 49 GLN HE22 1 49 GLN QG . . 3.480 3.372 3.246 3.561 0.081 20 0 "[ . 1 . 2]" 1
906 1 49 GLN QG 1 50 PRO HD2 . . 4.000 2.779 1.988 4.041 0.041 12 0 "[ . 1 . 2]" 1
907 1 50 PRO HA 1 51 CYS H . . 2.830 2.301 2.199 2.414 . 0 0 "[ . 1 . 2]" 1
908 1 50 PRO QB 1 51 CYS H . . 3.290 2.756 2.537 3.108 . 0 0 "[ . 1 . 2]" 1
909 1 50 PRO HB2 1 51 CYS H . . 3.870 2.869 2.641 3.281 . 0 0 "[ . 1 . 2]" 1
910 1 50 PRO HB3 1 51 CYS H . . 3.870 3.573 3.280 3.849 . 0 0 "[ . 1 . 2]" 1
911 1 51 CYS H 1 52 MET H . . 4.620 4.348 4.250 4.443 . 0 0 "[ . 1 . 2]" 1
912 1 51 CYS HA 1 52 MET H . . 3.000 2.529 2.332 2.751 . 0 0 "[ . 1 . 2]" 1
913 1 51 CYS QB 1 52 MET H . . 3.540 2.860 2.170 3.466 . 0 0 "[ . 1 . 2]" 1
914 1 51 CYS HB2 1 52 MET H . . 4.090 3.270 2.189 3.794 . 0 0 "[ . 1 . 2]" 1
915 1 51 CYS HB3 1 52 MET H . . 4.090 3.477 2.822 4.007 . 0 0 "[ . 1 . 2]" 1
916 1 52 MET H 1 52 MET HB2 . . 4.030 2.798 2.564 3.065 . 0 0 "[ . 1 . 2]" 1
917 1 52 MET H 1 52 MET QB . . 3.160 2.730 2.522 2.963 . 0 0 "[ . 1 . 2]" 1
918 1 52 MET H 1 52 MET HB3 . . 4.030 3.815 3.691 3.946 . 0 0 "[ . 1 . 2]" 1
919 1 52 MET H 1 52 MET QG . . 3.620 3.258 2.900 3.676 0.056 10 0 "[ . 1 . 2]" 1
920 1 52 MET H 1 53 GLY H . . 4.560 4.230 3.983 4.379 . 0 0 "[ . 1 . 2]" 1
921 1 52 MET HA 1 52 MET QG . . 3.770 2.467 2.275 2.680 . 0 0 "[ . 1 . 2]" 1
922 1 52 MET HA 1 53 GLY H . . 3.200 2.379 2.270 2.652 . 0 0 "[ . 1 . 2]" 1
923 1 52 MET QB 1 53 GLY H . . 3.480 2.743 2.126 3.334 . 0 0 "[ . 1 . 2]" 1
924 1 52 MET QB 1 56 CYS H . . 5.210 4.646 4.302 5.266 0.056 6 0 "[ . 1 . 2]" 1
925 1 52 MET QB 1 56 CYS QB . . 2.980 2.383 2.120 2.844 . 0 0 "[ . 1 . 2]" 1
926 1 52 MET HB2 1 53 GLY H . . 4.270 3.834 3.184 4.333 0.063 5 0 "[ . 1 . 2]" 1
927 1 52 MET HB2 1 56 CYS HB2 . . 4.330 3.865 2.925 4.402 0.072 15 0 "[ . 1 . 2]" 1
928 1 52 MET HB2 1 56 CYS HB3 . . 4.330 3.410 2.488 4.401 0.071 12 0 "[ . 1 . 2]" 1
929 1 52 MET HB3 1 53 GLY H . . 4.270 2.814 2.159 3.465 . 0 0 "[ . 1 . 2]" 1
930 1 52 MET HB3 1 56 CYS HB2 . . 4.330 3.076 2.274 3.735 . 0 0 "[ . 1 . 2]" 1
931 1 52 MET HB3 1 56 CYS HB3 . . 4.330 2.862 2.226 3.518 . 0 0 "[ . 1 . 2]" 1
932 1 52 MET ME 1 56 CYS H . . 5.500 4.810 4.153 5.438 . 0 0 "[ . 1 . 2]" 1
933 1 52 MET ME 1 56 CYS HA . . 4.510 4.220 3.590 4.581 0.071 16 0 "[ . 1 . 2]" 1
934 1 52 MET ME 1 56 CYS QB . . 3.680 2.593 1.952 3.715 0.035 10 0 "[ . 1 . 2]" 1
935 1 52 MET ME 1 57 SER HA . . 3.760 3.015 2.112 3.864 0.104 15 0 "[ . 1 . 2]" 1
936 1 52 MET ME 1 57 SER HB2 . . 4.470 3.548 2.173 4.558 0.088 12 0 "[ . 1 . 2]" 1
937 1 52 MET ME 1 57 SER QB . . 3.680 2.948 2.038 3.815 0.135 17 0 "[ . 1 . 2]" 1
938 1 52 MET ME 1 57 SER HB3 . . 4.470 3.496 2.063 4.547 0.077 10 0 "[ . 1 . 2]" 1
939 1 52 MET QG 1 53 GLY H . . 4.280 4.082 3.591 4.355 0.075 20 0 "[ . 1 . 2]" 1
940 1 53 GLY H 1 54 PRO HD2 . . 5.290 4.609 4.185 4.880 . 0 0 "[ . 1 . 2]" 1
941 1 53 GLY H 1 54 PRO QD . . 4.490 4.304 3.981 4.443 . 0 0 "[ . 1 . 2]" 1
942 1 53 GLY H 1 54 PRO HD3 . . 5.290 5.172 4.990 5.317 0.027 7 0 "[ . 1 . 2]" 1
943 1 53 GLY H 1 56 CYS HB2 . . 4.850 3.740 2.980 4.513 . 0 0 "[ . 1 . 2]" 1
944 1 53 GLY H 1 56 CYS HB3 . . 4.850 4.269 3.284 4.829 . 0 0 "[ . 1 . 2]" 1
945 1 53 GLY QA 1 54 PRO QD . . 2.750 2.071 1.982 2.126 . 0 0 "[ . 1 . 2]" 1
946 1 54 PRO HA 1 55 GLY H . . 3.040 2.263 2.117 2.416 . 0 0 "[ . 1 . 2]" 1
947 1 54 PRO HA 1 55 GLY HA2 . . 4.630 4.485 4.357 4.633 0.003 6 0 "[ . 1 . 2]" 1
948 1 54 PRO HA 1 55 GLY HA3 . . 4.630 4.552 4.475 4.641 0.011 9 0 "[ . 1 . 2]" 1
949 1 54 PRO HA 1 56 CYS H . . 3.930 3.538 3.063 4.007 0.077 18 0 "[ . 1 . 2]" 1
950 1 54 PRO HB2 1 55 GLY H . . 4.250 3.180 2.753 3.760 . 0 0 "[ . 1 . 2]" 1
951 1 54 PRO HB2 1 55 GLY HA2 . . 5.490 4.684 4.404 5.110 . 0 0 "[ . 1 . 2]" 1
952 1 54 PRO HB2 1 55 GLY QA . . 4.710 3.946 3.727 4.263 . 0 0 "[ . 1 . 2]" 1
953 1 54 PRO HB2 1 55 GLY HA3 . . 5.490 4.254 4.011 4.707 . 0 0 "[ . 1 . 2]" 1
954 1 54 PRO HB3 1 55 GLY H . . 4.290 3.790 3.445 4.196 . 0 0 "[ . 1 . 2]" 1
955 1 55 GLY H 1 56 CYS H . . 3.720 2.790 2.266 3.419 . 0 0 "[ . 1 . 2]" 1
956 1 56 CYS H 1 56 CYS HB2 . . 3.710 2.590 2.210 3.110 . 0 0 "[ . 1 . 2]" 1
957 1 56 CYS H 1 56 CYS QB . . 3.170 2.394 2.079 2.679 . 0 0 "[ . 1 . 2]" 1
958 1 56 CYS H 1 56 CYS HB3 . . 3.710 3.040 2.377 3.728 0.018 20 0 "[ . 1 . 2]" 1
959 1 56 CYS H 1 57 SER H . . 4.740 3.584 1.973 4.676 . 0 0 "[ . 1 . 2]" 1
960 1 56 CYS HB2 1 57 SER H . . 3.980 3.650 2.852 4.071 0.091 8 0 "[ . 1 . 2]" 1
961 1 56 CYS HB3 1 57 SER H . . 3.980 3.152 1.988 4.060 0.080 20 0 "[ . 1 . 2]" 1
962 1 57 SER H 1 57 SER QB . . 3.630 2.840 2.188 3.481 . 0 0 "[ . 1 . 2]" 1
963 1 57 SER HA 1 58 ASP H . . 3.060 2.608 2.268 3.140 0.080 7 0 "[ . 1 . 2]" 1
964 1 57 SER QB 1 59 GLU H . . 4.540 3.941 2.342 4.617 0.077 16 0 "[ . 1 . 2]" 1
965 1 57 SER HB2 1 58 ASP H . . 4.740 4.052 2.397 4.695 . 0 0 "[ . 1 . 2]" 1
966 1 57 SER HB2 1 59 GLU H . . 5.290 4.652 2.864 5.371 0.081 16 0 "[ . 1 . 2]" 1
967 1 57 SER HB3 1 58 ASP H . . 4.740 4.053 2.720 4.658 . 0 0 "[ . 1 . 2]" 1
968 1 57 SER HB3 1 59 GLU H . . 5.290 4.511 2.357 5.372 0.082 6 0 "[ . 1 . 2]" 1
969 1 58 ASP H 1 58 ASP QB . . 3.430 2.540 1.994 3.454 0.024 7 0 "[ . 1 . 2]" 1
970 1 58 ASP HA 1 59 GLU H . . 3.230 2.969 2.253 3.310 0.080 20 0 "[ . 1 . 2]" 1
971 1 58 ASP QB 1 59 GLU H . . 4.460 3.818 3.121 4.081 . 0 0 "[ . 1 . 2]" 1
972 1 59 GLU H 1 59 GLU HB2 . . 4.030 2.781 2.355 3.688 . 0 0 "[ . 1 . 2]" 1
973 1 59 GLU H 1 59 GLU QB . . 3.240 2.443 1.999 3.329 0.089 11 0 "[ . 1 . 2]" 1
974 1 59 GLU H 1 59 GLU HB3 . . 4.030 3.005 2.149 4.051 0.021 11 0 "[ . 1 . 2]" 1
975 1 59 GLU H 1 59 GLU QG . . 3.990 3.161 1.847 4.082 0.092 7 0 "[ . 1 . 2]" 1
976 1 59 GLU H 1 61 GLY H . . 5.150 4.776 3.761 5.229 0.079 9 0 "[ . 1 . 2]" 1
977 1 59 GLU HA 1 59 GLU QG . . 3.800 2.864 2.367 3.399 . 0 0 "[ . 1 . 2]" 1
978 1 59 GLU HB2 1 60 ASP H . . 4.450 3.669 2.587 4.518 0.068 15 0 "[ . 1 . 2]" 1
979 1 59 GLU HB3 1 60 ASP H . . 4.450 3.403 1.926 4.514 0.064 15 0 "[ . 1 . 2]" 1
980 1 59 GLU QG 1 60 ASP H . . 4.890 3.737 1.810 4.716 . 0 0 "[ . 1 . 2]" 1
981 1 60 ASP H 1 60 ASP QB . . 3.420 2.703 2.172 3.381 . 0 0 "[ . 1 . 2]" 1
982 1 60 ASP H 1 61 GLY H . . 3.720 2.897 1.985 3.679 . 0 0 "[ . 1 . 2]" 1
983 1 60 ASP QB 1 61 GLY H . . 4.480 3.585 2.340 4.072 . 0 0 "[ . 1 . 2]" 1
984 1 60 ASP HB2 1 61 GLY H . . 5.230 4.269 3.343 4.662 . 0 0 "[ . 1 . 2]" 1
985 1 60 ASP HB3 1 61 GLY H . . 5.230 3.974 2.362 4.539 . 0 0 "[ . 1 . 2]" 1
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