NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
423729 |
2fft   |
6926 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2fft
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 490
_Distance_constraint_stats_list.Viol_count 222
_Distance_constraint_stats_list.Viol_total 132.471
_Distance_constraint_stats_list.Viol_max 0.188
_Distance_constraint_stats_list.Viol_rms 0.0072
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0298
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 THR 0.099 0.099 13 0 "[ . 1 . 2]"
1 10 LYS 0.099 0.099 13 0 "[ . 1 . 2]"
1 11 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLU 0.086 0.057 14 0 "[ . 1 . 2]"
1 13 LYS 0.075 0.057 14 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 VAL 0.084 0.042 16 0 "[ . 1 . 2]"
1 17 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 TRP 0.031 0.017 16 0 "[ . 1 . 2]"
1 19 LEU 0.325 0.080 18 0 "[ . 1 . 2]"
1 20 LEU 0.405 0.116 18 0 "[ . 1 . 2]"
1 21 GLY 0.196 0.132 16 0 "[ . 1 . 2]"
1 22 LYS 0.772 0.132 16 0 "[ . 1 . 2]"
1 23 ILE 0.779 0.088 18 0 "[ . 1 . 2]"
1 24 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 0.217 0.051 14 0 "[ . 1 . 2]"
1 26 GLU 0.015 0.011 3 0 "[ . 1 . 2]"
1 27 ASP 0.116 0.046 15 0 "[ . 1 . 2]"
1 28 GLN 0.152 0.046 15 0 "[ . 1 . 2]"
1 29 PHE 0.081 0.054 10 0 "[ . 1 . 2]"
1 30 TYR 0.352 0.085 8 0 "[ . 1 . 2]"
1 31 GLU 0.284 0.085 8 0 "[ . 1 . 2]"
1 32 THR 0.105 0.076 20 0 "[ . 1 . 2]"
1 33 ASP 0.593 0.188 17 0 "[ . 1 . 2]"
1 34 PRO 0.382 0.188 17 0 "[ . 1 . 2]"
1 35 ILE 1.246 0.172 9 0 "[ . 1 . 2]"
1 36 LEU 0.586 0.127 6 0 "[ . 1 . 2]"
1 37 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLY 0.481 0.172 9 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASP 0.001 0.001 14 0 "[ . 1 . 2]"
1 41 VAL 0.002 0.002 14 0 "[ . 1 . 2]"
1 42 LYS 0.003 0.002 14 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LYS 0.001 0.001 11 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLY 0.001 0.001 11 0 "[ . 1 . 2]"
1 54 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LYS 0.059 0.040 20 0 "[ . 1 . 2]"
1 59 LYS 0.282 0.137 19 0 "[ . 1 . 2]"
1 60 GLY 0.006 0.003 14 0 "[ . 1 . 2]"
1 61 THR 0.174 0.137 19 0 "[ . 1 . 2]"
1 62 VAL 0.053 0.024 2 0 "[ . 1 . 2]"
1 63 SER 0.007 0.003 14 0 "[ . 1 . 2]"
1 64 ILE 0.906 0.164 3 0 "[ . 1 . 2]"
1 65 PRO 1.336 0.182 7 0 "[ . 1 . 2]"
1 66 SER 0.069 0.025 16 0 "[ . 1 . 2]"
1 67 LYS 0.005 0.005 7 0 "[ . 1 . 2]"
1 68 LYS 0.372 0.182 7 0 "[ . 1 . 2]"
1 69 LYS 0.380 0.142 12 0 "[ . 1 . 2]"
1 70 ASN 0.184 0.142 12 0 "[ . 1 . 2]"
1 71 GLY 0.022 0.022 17 0 "[ . 1 . 2]"
1 72 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLY 0.559 0.048 8 0 "[ . 1 . 2]"
1 75 VAL 0.559 0.048 8 0 "[ . 1 . 2]"
1 76 PHE 0.201 0.058 11 0 "[ . 1 . 2]"
1 77 GLY 0.201 0.058 11 0 "[ . 1 . 2]"
1 78 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LEU 0.036 0.008 2 0 "[ . 1 . 2]"
1 80 PHE 0.034 0.008 2 0 "[ . 1 . 2]"
1 81 ALA 0.005 0.005 11 0 "[ . 1 . 2]"
1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 SER HA 1 2 ALA H . . 5.070 2.505 2.138 3.492 . 0 0 "[ . 1 . 2]" 1
2 1 1 SER HA 1 2 ALA MB . . 5.500 4.089 3.639 4.564 . 0 0 "[ . 1 . 2]" 1
3 1 1 SER HB2 1 2 ALA H . . 5.500 3.819 2.351 4.463 . 0 0 "[ . 1 . 2]" 1
4 1 1 SER HB2 1 2 ALA MB . . 5.500 4.706 3.075 5.477 . 0 0 "[ . 1 . 2]" 1
5 1 2 ALA H 1 3 ALA H . . 5.500 3.789 2.405 4.584 . 0 0 "[ . 1 . 2]" 1
6 1 2 ALA HA 1 3 ALA H . . 3.790 2.573 2.151 3.572 . 0 0 "[ . 1 . 2]" 1
7 1 2 ALA MB 1 3 ALA H . . 3.950 2.908 2.009 3.720 . 0 0 "[ . 1 . 2]" 1
8 1 3 ALA HA 1 4 LYS H . . 5.500 2.493 2.145 3.571 . 0 0 "[ . 1 . 2]" 1
9 1 3 ALA MB 1 4 LYS H . . 4.600 2.645 2.020 3.715 . 0 0 "[ . 1 . 2]" 1
10 1 4 LYS H 1 4 LYS HB2 . . 4.330 2.944 2.383 4.016 . 0 0 "[ . 1 . 2]" 1
11 1 4 LYS HA 1 5 GLY H . . 3.990 2.669 2.146 3.574 . 0 0 "[ . 1 . 2]" 1
12 1 4 LYS HB2 1 5 GLY H . . 4.780 3.704 2.141 4.648 . 0 0 "[ . 1 . 2]" 1
13 1 5 GLY H 1 6 THR H . . 4.610 3.148 2.095 4.463 . 0 0 "[ . 1 . 2]" 1
14 1 5 GLY HA2 1 6 THR H . . 4.170 2.827 2.164 3.559 . 0 0 "[ . 1 . 2]" 1
15 1 5 GLY HA2 1 7 ALA H . . 5.500 4.597 3.372 5.441 . 0 0 "[ . 1 . 2]" 1
16 1 6 THR H 1 7 ALA H . . 5.180 3.163 2.261 4.356 . 0 0 "[ . 1 . 2]" 1
17 1 6 THR H 1 7 ALA MB . . 5.500 4.390 3.526 5.369 . 0 0 "[ . 1 . 2]" 1
18 1 6 THR HA 1 7 ALA H . . 4.190 2.625 2.143 3.571 . 0 0 "[ . 1 . 2]" 1
19 1 6 THR HB 1 7 ALA H . . 5.500 4.108 2.369 4.627 . 0 0 "[ . 1 . 2]" 1
20 1 7 ALA MB 1 8 GLU H . . 4.890 2.644 2.081 3.635 . 0 0 "[ . 1 . 2]" 1
21 1 7 ALA MB 1 9 THR H . . 5.500 4.426 3.110 5.500 . 0 0 "[ . 1 . 2]" 1
22 1 8 GLU H 1 9 THR H . . 5.050 3.521 2.323 4.622 . 0 0 "[ . 1 . 2]" 1
23 1 8 GLU HA 1 9 THR H . . 3.900 2.671 2.138 3.568 . 0 0 "[ . 1 . 2]" 1
24 1 8 GLU HB2 1 9 THR H . . 5.340 3.837 1.978 4.655 . 0 0 "[ . 1 . 2]" 1
25 1 9 THR H 1 10 LYS H . . 4.700 3.540 2.076 4.631 . 0 0 "[ . 1 . 2]" 1
26 1 9 THR H 1 10 LYS HB2 . . 5.500 4.659 3.380 5.599 0.099 13 0 "[ . 1 . 2]" 1
27 1 9 THR HA 1 10 LYS H . . 3.880 2.574 2.141 3.567 . 0 0 "[ . 1 . 2]" 1
28 1 9 THR HB 1 10 LYS H . . 5.500 3.900 1.936 4.628 . 0 0 "[ . 1 . 2]" 1
29 1 10 LYS H 1 10 LYS HB2 . . 4.400 3.007 2.228 3.613 . 0 0 "[ . 1 . 2]" 1
30 1 10 LYS H 1 11 GLN HG2 . . 5.500 4.758 2.483 5.486 . 0 0 "[ . 1 . 2]" 1
31 1 10 LYS HA 1 11 GLN H . . 3.270 2.482 2.141 2.955 . 0 0 "[ . 1 . 2]" 1
32 1 11 GLN H 1 11 GLN HE22 . . 5.500 4.707 3.604 5.480 . 0 0 "[ . 1 . 2]" 1
33 1 11 GLN H 1 11 GLN HG2 . . 5.500 3.565 2.497 4.632 . 0 0 "[ . 1 . 2]" 1
34 1 11 GLN HB2 1 11 GLN HE22 . . 5.500 4.471 3.342 5.354 . 0 0 "[ . 1 . 2]" 1
35 1 11 GLN HB3 1 11 GLN HE22 . . 5.500 4.658 3.424 5.352 . 0 0 "[ . 1 . 2]" 1
36 1 12 GLU H 1 12 GLU HB2 . . 3.840 3.159 2.178 3.852 0.012 14 0 "[ . 1 . 2]" 1
37 1 12 GLU H 1 13 LYS H . . 4.280 3.500 1.923 4.337 0.057 14 0 "[ . 1 . 2]" 1
38 1 12 GLU HB2 1 13 LYS H . . 4.970 3.609 1.920 4.650 . 0 0 "[ . 1 . 2]" 1
39 1 12 GLU HB2 1 14 SER H . . 5.500 5.081 3.941 5.490 . 0 0 "[ . 1 . 2]" 1
40 1 13 LYS H 1 14 SER H . . 4.660 2.667 1.910 3.400 . 0 0 "[ . 1 . 2]" 1
41 1 13 LYS H 1 16 VAL MG1 . . 5.500 5.118 3.509 5.493 . 0 0 "[ . 1 . 2]" 1
42 1 13 LYS HA 1 13 LYS HD2 . . 5.500 3.490 2.085 4.474 . 0 0 "[ . 1 . 2]" 1
43 1 13 LYS HA 1 14 SER H . . 4.040 2.780 2.238 3.570 . 0 0 "[ . 1 . 2]" 1
44 1 13 LYS HB2 1 14 SER H . . 4.930 4.387 3.012 4.659 . 0 0 "[ . 1 . 2]" 1
45 1 13 LYS HD2 1 14 SER H . . 5.500 5.084 3.253 5.499 . 0 0 "[ . 1 . 2]" 1
46 1 14 SER H 1 15 PHE H . . 5.500 4.467 4.348 4.565 . 0 0 "[ . 1 . 2]" 1
47 1 14 SER H 1 16 VAL H . . 5.500 4.742 4.356 5.190 . 0 0 "[ . 1 . 2]" 1
48 1 14 SER H 1 17 ASP H . . 5.500 3.496 3.145 3.892 . 0 0 "[ . 1 . 2]" 1
49 1 14 SER H 1 17 ASP HA . . 5.500 5.102 4.566 5.492 . 0 0 "[ . 1 . 2]" 1
50 1 14 SER H 1 17 ASP HB2 . . 5.500 2.787 2.293 3.456 . 0 0 "[ . 1 . 2]" 1
51 1 14 SER H 1 17 ASP HB3 . . 5.500 3.316 1.969 4.129 . 0 0 "[ . 1 . 2]" 1
52 1 14 SER HA 1 15 PHE H . . 4.760 2.507 2.205 2.632 . 0 0 "[ . 1 . 2]" 1
53 1 14 SER HA 1 16 VAL H . . 5.500 4.366 3.959 4.829 . 0 0 "[ . 1 . 2]" 1
54 1 14 SER HA 1 17 ASP H . . 5.500 4.707 4.505 4.876 . 0 0 "[ . 1 . 2]" 1
55 1 14 SER HB2 1 15 PHE H . . 5.500 3.659 2.263 4.142 . 0 0 "[ . 1 . 2]" 1
56 1 14 SER HB2 1 16 VAL H . . 5.500 3.632 2.379 4.778 . 0 0 "[ . 1 . 2]" 1
57 1 14 SER HB2 1 16 VAL MG1 . . 5.500 2.486 1.960 3.616 . 0 0 "[ . 1 . 2]" 1
58 1 14 SER HB2 1 17 ASP H . . 5.240 3.731 3.186 4.391 . 0 0 "[ . 1 . 2]" 1
59 1 14 SER HB2 1 17 ASP HB2 . . 5.500 4.215 3.427 5.094 . 0 0 "[ . 1 . 2]" 1
60 1 14 SER HB2 1 17 ASP HB3 . . 5.500 5.076 4.271 5.482 . 0 0 "[ . 1 . 2]" 1
61 1 14 SER HB3 1 15 PHE H . . 5.440 2.461 1.965 3.949 . 0 0 "[ . 1 . 2]" 1
62 1 14 SER HB3 1 16 VAL H . . 5.500 2.649 2.242 4.088 . 0 0 "[ . 1 . 2]" 1
63 1 14 SER HB3 1 16 VAL MG1 . . 5.500 2.353 2.014 3.556 . 0 0 "[ . 1 . 2]" 1
64 1 14 SER HB3 1 17 ASP H . . 5.500 3.710 2.616 4.889 . 0 0 "[ . 1 . 2]" 1
65 1 14 SER HB3 1 17 ASP HB2 . . 5.500 4.888 2.686 5.488 . 0 0 "[ . 1 . 2]" 1
66 1 15 PHE H 1 15 PHE QD . . 5.500 2.409 1.954 4.146 . 0 0 "[ . 1 . 2]" 1
67 1 15 PHE H 1 16 VAL H . . 4.990 2.705 2.592 2.904 . 0 0 "[ . 1 . 2]" 1
68 1 15 PHE H 1 17 ASP H . . 5.500 4.274 4.058 4.398 . 0 0 "[ . 1 . 2]" 1
69 1 15 PHE HA 1 16 VAL H . . 5.500 3.507 3.475 3.566 . 0 0 "[ . 1 . 2]" 1
70 1 15 PHE HA 1 18 TRP HB3 . . 5.500 3.436 3.099 3.796 . 0 0 "[ . 1 . 2]" 1
71 1 15 PHE HA 1 19 LEU H . . 5.500 4.227 4.017 4.626 . 0 0 "[ . 1 . 2]" 1
72 1 15 PHE HB2 1 16 VAL H . . 4.860 3.832 3.334 4.031 . 0 0 "[ . 1 . 2]" 1
73 1 15 PHE QD 1 16 VAL H . . 5.500 3.242 2.925 4.075 . 0 0 "[ . 1 . 2]" 1
74 1 15 PHE QD 1 16 VAL MG1 . . 5.500 4.348 4.087 5.290 . 0 0 "[ . 1 . 2]" 1
75 1 15 PHE QD 1 16 VAL MG2 . . 5.500 4.776 4.397 5.498 . 0 0 "[ . 1 . 2]" 1
76 1 16 VAL H 1 16 VAL MG1 . . 4.400 1.961 1.927 2.024 . 0 0 "[ . 1 . 2]" 1
77 1 16 VAL H 1 17 ASP H . . 4.800 2.702 2.567 2.792 . 0 0 "[ . 1 . 2]" 1
78 1 16 VAL H 1 18 TRP H . . 5.410 4.256 4.166 4.476 . 0 0 "[ . 1 . 2]" 1
79 1 16 VAL H 1 19 LEU H . . 5.500 4.630 4.529 4.848 . 0 0 "[ . 1 . 2]" 1
80 1 16 VAL H 1 19 LEU MD1 . . 5.500 5.002 4.367 5.515 0.015 14 0 "[ . 1 . 2]" 1
81 1 16 VAL HA 1 17 ASP H . . 5.500 3.518 3.516 3.521 . 0 0 "[ . 1 . 2]" 1
82 1 16 VAL HA 1 19 LEU H . . 5.500 3.191 3.038 3.230 . 0 0 "[ . 1 . 2]" 1
83 1 16 VAL HA 1 19 LEU HB2 . . 5.500 2.394 2.040 3.201 . 0 0 "[ . 1 . 2]" 1
84 1 16 VAL HA 1 19 LEU HB3 . . 5.500 3.164 1.993 3.614 . 0 0 "[ . 1 . 2]" 1
85 1 16 VAL HA 1 19 LEU MD1 . . 5.500 3.836 3.046 4.308 . 0 0 "[ . 1 . 2]" 1
86 1 16 VAL HA 1 20 LEU H . . 5.500 3.290 3.096 3.781 . 0 0 "[ . 1 . 2]" 1
87 1 16 VAL HA 1 20 LEU HB3 . . 5.500 5.483 5.385 5.501 0.001 9 0 "[ . 1 . 2]" 1
88 1 16 VAL HB 1 17 ASP H . . 4.800 3.989 3.974 4.006 . 0 0 "[ . 1 . 2]" 1
89 1 16 VAL HB 1 19 LEU H . . 5.500 5.493 5.332 5.542 0.042 16 0 "[ . 1 . 2]" 1
90 1 16 VAL MG1 1 17 ASP H . . 5.310 2.097 1.914 2.140 . 0 0 "[ . 1 . 2]" 1
91 1 16 VAL MG1 1 19 LEU H . . 5.500 4.906 4.730 5.020 . 0 0 "[ . 1 . 2]" 1
92 1 16 VAL MG1 1 20 LEU H . . 5.500 4.835 4.775 4.890 . 0 0 "[ . 1 . 2]" 1
93 1 16 VAL MG1 1 20 LEU HB2 . . 5.500 4.569 4.402 5.156 . 0 0 "[ . 1 . 2]" 1
94 1 16 VAL MG1 1 20 LEU HB3 . . 5.500 5.296 4.944 5.408 . 0 0 "[ . 1 . 2]" 1
95 1 16 VAL MG2 1 17 ASP H . . 5.500 3.578 3.534 3.630 . 0 0 "[ . 1 . 2]" 1
96 1 16 VAL MG2 1 19 LEU H . . 5.500 4.453 4.100 4.545 . 0 0 "[ . 1 . 2]" 1
97 1 16 VAL MG2 1 20 LEU H . . 5.500 3.210 3.076 3.432 . 0 0 "[ . 1 . 2]" 1
98 1 16 VAL MG2 1 20 LEU HB3 . . 5.500 3.720 3.480 3.816 . 0 0 "[ . 1 . 2]" 1
99 1 17 ASP H 1 18 TRP H . . 4.580 2.703 2.656 2.842 . 0 0 "[ . 1 . 2]" 1
100 1 17 ASP H 1 18 TRP HB3 . . 5.500 5.064 4.851 5.320 . 0 0 "[ . 1 . 2]" 1
101 1 17 ASP H 1 19 LEU H . . 5.500 4.052 3.905 4.301 . 0 0 "[ . 1 . 2]" 1
102 1 17 ASP HA 1 20 LEU H . . 5.500 4.189 3.830 4.385 . 0 0 "[ . 1 . 2]" 1
103 1 17 ASP HA 1 21 GLY H . . 5.500 4.459 4.039 4.774 . 0 0 "[ . 1 . 2]" 1
104 1 17 ASP HB2 1 18 TRP H . . 5.490 3.791 2.663 4.035 . 0 0 "[ . 1 . 2]" 1
105 1 18 TRP H 1 18 TRP HD1 . . 5.500 4.929 4.778 5.097 . 0 0 "[ . 1 . 2]" 1
106 1 18 TRP H 1 19 LEU H . . 4.930 2.342 2.318 2.472 . 0 0 "[ . 1 . 2]" 1
107 1 18 TRP H 1 20 LEU H . . 5.500 4.216 4.109 4.302 . 0 0 "[ . 1 . 2]" 1
108 1 18 TRP HA 1 19 LEU H . . 5.500 3.516 3.460 3.542 . 0 0 "[ . 1 . 2]" 1
109 1 18 TRP HB2 1 18 TRP HE1 . . 5.500 5.130 4.996 5.277 . 0 0 "[ . 1 . 2]" 1
110 1 18 TRP HB2 1 19 LEU H . . 5.350 3.899 3.692 4.013 . 0 0 "[ . 1 . 2]" 1
111 1 18 TRP HB3 1 18 TRP HE1 . . 5.500 5.065 4.777 5.261 . 0 0 "[ . 1 . 2]" 1
112 1 18 TRP HB3 1 19 LEU H . . 5.380 2.731 2.554 2.991 . 0 0 "[ . 1 . 2]" 1
113 1 18 TRP HD1 1 22 LYS HE3 . . 5.500 4.647 2.070 5.517 0.017 16 0 "[ . 1 . 2]" 1
114 1 18 TRP HE1 1 22 LYS HD2 . . 5.500 4.358 3.018 5.416 . 0 0 "[ . 1 . 2]" 1
115 1 18 TRP HE1 1 22 LYS HE2 . . 5.460 4.169 2.708 5.464 0.004 18 0 "[ . 1 . 2]" 1
116 1 18 TRP HE1 1 22 LYS HE3 . . 5.240 4.040 2.841 5.000 . 0 0 "[ . 1 . 2]" 1
117 1 18 TRP HE1 1 22 LYS HG2 . . 5.500 5.105 4.631 5.509 0.009 16 0 "[ . 1 . 2]" 1
118 1 18 TRP HE1 1 22 LYS HG3 . . 5.500 4.813 4.237 5.494 . 0 0 "[ . 1 . 2]" 1
119 1 19 LEU H 1 19 LEU MD1 . . 5.160 2.884 2.314 4.119 . 0 0 "[ . 1 . 2]" 1
120 1 19 LEU H 1 19 LEU MD2 . . 5.500 4.061 3.928 4.182 . 0 0 "[ . 1 . 2]" 1
121 1 19 LEU H 1 20 LEU H . . 5.160 2.759 2.675 2.914 . 0 0 "[ . 1 . 2]" 1
122 1 19 LEU H 1 21 GLY H . . 5.500 3.784 3.655 3.865 . 0 0 "[ . 1 . 2]" 1
123 1 19 LEU H 1 22 LYS H . . 5.500 5.237 5.092 5.510 0.010 11 0 "[ . 1 . 2]" 1
124 1 19 LEU H 1 23 ILE MD . . 5.500 5.479 5.308 5.580 0.080 18 0 "[ . 1 . 2]" 1
125 1 19 LEU HA 1 20 LEU H . . 5.500 3.566 3.558 3.568 . 0 0 "[ . 1 . 2]" 1
126 1 19 LEU HA 1 21 GLY H . . 5.500 4.049 3.962 4.116 . 0 0 "[ . 1 . 2]" 1
127 1 19 LEU HA 1 22 LYS H . . 5.500 3.837 3.558 4.310 . 0 0 "[ . 1 . 2]" 1
128 1 19 LEU HA 1 22 LYS HD2 . . 5.500 4.058 2.414 5.505 0.005 18 0 "[ . 1 . 2]" 1
129 1 19 LEU HA 1 22 LYS HG2 . . 5.500 3.435 2.347 5.484 . 0 0 "[ . 1 . 2]" 1
130 1 19 LEU HB2 1 20 LEU H . . 4.890 2.954 2.674 3.746 . 0 0 "[ . 1 . 2]" 1
131 1 19 LEU HB2 1 21 GLY H . . 5.500 4.942 4.798 5.450 . 0 0 "[ . 1 . 2]" 1
132 1 19 LEU HB3 1 20 LEU H . . 5.500 2.630 2.293 2.823 . 0 0 "[ . 1 . 2]" 1
133 1 19 LEU MD1 1 20 LEU H . . 4.630 4.254 2.715 4.561 . 0 0 "[ . 1 . 2]" 1
134 1 19 LEU MD1 1 21 GLY H . . 5.500 5.307 4.380 5.490 . 0 0 "[ . 1 . 2]" 1
135 1 19 LEU MD2 1 20 LEU H . . 5.500 4.344 3.996 4.501 . 0 0 "[ . 1 . 2]" 1
136 1 20 LEU H 1 20 LEU HB3 . . 4.290 2.939 2.483 3.089 . 0 0 "[ . 1 . 2]" 1
137 1 20 LEU H 1 20 LEU MD1 . . 5.500 4.274 4.215 4.293 . 0 0 "[ . 1 . 2]" 1
138 1 20 LEU H 1 20 LEU HG . . 5.500 4.478 4.443 4.504 . 0 0 "[ . 1 . 2]" 1
139 1 20 LEU H 1 21 GLY H . . 5.150 2.630 2.466 2.706 . 0 0 "[ . 1 . 2]" 1
140 1 20 LEU H 1 22 LYS H . . 5.500 4.324 4.202 4.780 . 0 0 "[ . 1 . 2]" 1
141 1 20 LEU H 1 23 ILE MD . . 5.500 3.861 3.604 4.037 . 0 0 "[ . 1 . 2]" 1
142 1 20 LEU HA 1 21 GLY H . . 5.500 3.461 3.396 3.480 . 0 0 "[ . 1 . 2]" 1
143 1 20 LEU HA 1 23 ILE H . . 5.500 3.281 2.911 3.394 . 0 0 "[ . 1 . 2]" 1
144 1 20 LEU HA 1 23 ILE MD . . 5.500 1.950 1.868 2.086 . 0 0 "[ . 1 . 2]" 1
145 1 20 LEU HA 1 24 THR H . . 5.500 4.206 3.683 4.521 . 0 0 "[ . 1 . 2]" 1
146 1 20 LEU HB2 1 21 GLY H . . 5.500 3.732 3.667 4.132 . 0 0 "[ . 1 . 2]" 1
147 1 20 LEU HB3 1 21 GLY H . . 5.370 3.061 2.976 3.385 . 0 0 "[ . 1 . 2]" 1
148 1 20 LEU HB3 1 23 ILE H . . 5.500 5.165 4.978 5.468 . 0 0 "[ . 1 . 2]" 1
149 1 20 LEU HB3 1 23 ILE MD . . 5.500 4.402 4.264 4.580 . 0 0 "[ . 1 . 2]" 1
150 1 20 LEU HB3 1 24 THR H . . 5.500 5.006 4.558 5.312 . 0 0 "[ . 1 . 2]" 1
151 1 20 LEU MD1 1 21 GLY H . . 5.500 4.187 3.983 5.129 . 0 0 "[ . 1 . 2]" 1
152 1 20 LEU MD1 1 22 LYS H . . 5.500 4.823 4.393 5.616 0.116 18 0 "[ . 1 . 2]" 1
153 1 20 LEU MD1 1 23 ILE H . . 5.500 3.801 3.603 4.673 . 0 0 "[ . 1 . 2]" 1
154 1 20 LEU MD1 1 24 THR H . . 5.030 3.206 2.434 4.827 . 0 0 "[ . 1 . 2]" 1
155 1 20 LEU MD2 1 21 GLY H . . 5.500 4.687 4.172 4.772 . 0 0 "[ . 1 . 2]" 1
156 1 20 LEU MD2 1 23 ILE H . . 4.630 4.527 4.254 4.718 0.088 18 0 "[ . 1 . 2]" 1
157 1 21 GLY H 1 22 LYS H . . 4.860 2.679 2.558 2.923 . 0 0 "[ . 1 . 2]" 1
158 1 21 GLY H 1 22 LYS HA . . 5.500 5.261 5.151 5.467 . 0 0 "[ . 1 . 2]" 1
159 1 21 GLY H 1 22 LYS HD2 . . 5.500 4.339 3.710 4.693 . 0 0 "[ . 1 . 2]" 1
160 1 21 GLY H 1 22 LYS HG3 . . 5.500 5.353 4.645 5.632 0.132 16 0 "[ . 1 . 2]" 1
161 1 21 GLY HA2 1 22 LYS H . . 5.170 3.462 3.413 3.566 . 0 0 "[ . 1 . 2]" 1
162 1 21 GLY HA2 1 22 LYS HD2 . . 5.500 5.050 4.709 5.522 0.022 16 0 "[ . 1 . 2]" 1
163 1 22 LYS H 1 22 LYS HD2 . . 5.160 2.714 2.115 3.024 . 0 0 "[ . 1 . 2]" 1
164 1 22 LYS H 1 22 LYS HE2 . . 5.500 4.823 4.473 5.395 . 0 0 "[ . 1 . 2]" 1
165 1 22 LYS H 1 22 LYS HE3 . . 5.500 4.657 3.698 5.354 . 0 0 "[ . 1 . 2]" 1
166 1 22 LYS H 1 22 LYS HG2 . . 5.320 2.631 2.014 4.182 . 0 0 "[ . 1 . 2]" 1
167 1 22 LYS H 1 22 LYS HG3 . . 4.770 3.347 2.471 3.687 . 0 0 "[ . 1 . 2]" 1
168 1 22 LYS H 1 23 ILE H . . 4.620 2.401 2.246 2.729 . 0 0 "[ . 1 . 2]" 1
169 1 22 LYS H 1 23 ILE HB . . 5.500 4.701 4.525 5.057 . 0 0 "[ . 1 . 2]" 1
170 1 22 LYS H 1 23 ILE MD . . 5.500 3.278 2.652 4.680 . 0 0 "[ . 1 . 2]" 1
171 1 22 LYS HA 1 22 LYS HD2 . . 5.500 2.885 2.249 4.232 . 0 0 "[ . 1 . 2]" 1
172 1 22 LYS HA 1 22 LYS HE3 . . 5.500 3.750 2.414 5.483 . 0 0 "[ . 1 . 2]" 1
173 1 22 LYS HA 1 23 ILE H . . 4.920 3.461 3.414 3.560 . 0 0 "[ . 1 . 2]" 1
174 1 22 LYS HB2 1 22 LYS HE2 . . 5.500 4.025 3.496 4.948 . 0 0 "[ . 1 . 2]" 1
175 1 22 LYS HB2 1 22 LYS HE3 . . 5.500 4.296 3.395 5.037 . 0 0 "[ . 1 . 2]" 1
176 1 22 LYS HB3 1 23 ILE H . . 5.500 4.060 3.387 4.261 . 0 0 "[ . 1 . 2]" 1
177 1 22 LYS HD2 1 23 ILE H . . 4.710 4.573 3.994 4.736 0.026 13 0 "[ . 1 . 2]" 1
178 1 22 LYS HG2 1 23 ILE H . . 5.500 4.304 1.923 5.442 . 0 0 "[ . 1 . 2]" 1
179 1 23 ILE H 1 23 ILE MD . . 5.500 2.202 1.923 3.495 . 0 0 "[ . 1 . 2]" 1
180 1 23 ILE H 1 23 ILE HG13 . . 4.610 2.918 2.059 3.180 . 0 0 "[ . 1 . 2]" 1
181 1 23 ILE H 1 24 THR H . . 4.750 2.333 2.078 2.682 . 0 0 "[ . 1 . 2]" 1
182 1 23 ILE H 1 25 LYS H . . 5.500 4.411 3.733 5.474 . 0 0 "[ . 1 . 2]" 1
183 1 23 ILE HA 1 24 THR H . . 4.620 3.499 3.364 3.570 . 0 0 "[ . 1 . 2]" 1
184 1 23 ILE HB 1 24 THR H . . 5.110 2.771 2.239 3.302 . 0 0 "[ . 1 . 2]" 1
185 1 23 ILE MD 1 24 THR H . . 5.500 3.726 3.428 4.525 . 0 0 "[ . 1 . 2]" 1
186 1 23 ILE MD 1 25 LYS H . . 5.500 5.405 5.034 5.542 0.042 16 0 "[ . 1 . 2]" 1
187 1 23 ILE HG13 1 24 THR H . . 5.500 4.592 4.116 4.749 . 0 0 "[ . 1 . 2]" 1
188 1 23 ILE MG 1 24 THR H . . 5.500 3.603 3.114 4.015 . 0 0 "[ . 1 . 2]" 1
189 1 23 ILE MG 1 24 THR HB . . 5.500 4.666 3.978 5.498 . 0 0 "[ . 1 . 2]" 1
190 1 23 ILE MG 1 25 LYS H . . 5.500 4.333 2.883 5.250 . 0 0 "[ . 1 . 2]" 1
191 1 24 THR H 1 24 THR MG . . 4.530 3.175 2.087 3.990 . 0 0 "[ . 1 . 2]" 1
192 1 24 THR H 1 25 LYS H . . 4.750 2.928 2.501 3.782 . 0 0 "[ . 1 . 2]" 1
193 1 24 THR HA 1 25 LYS H . . 3.980 3.043 2.337 3.570 . 0 0 "[ . 1 . 2]" 1
194 1 24 THR MG 1 25 LYS H . . 5.020 3.597 2.073 4.348 . 0 0 "[ . 1 . 2]" 1
195 1 25 LYS H 1 25 LYS HD2 . . 4.390 3.823 1.961 4.401 0.011 14 0 "[ . 1 . 2]" 1
196 1 25 LYS H 1 25 LYS HE2 . . 5.500 4.527 1.940 5.502 0.002 16 0 "[ . 1 . 2]" 1
197 1 25 LYS H 1 25 LYS HE3 . . 5.500 4.397 1.975 5.502 0.002 16 0 "[ . 1 . 2]" 1
198 1 25 LYS H 1 25 LYS HG2 . . 4.830 3.574 2.083 4.881 0.051 14 0 "[ . 1 . 2]" 1
199 1 25 LYS H 1 26 GLU H . . 4.600 4.035 2.341 4.611 0.011 3 0 "[ . 1 . 2]" 1
200 1 25 LYS HD2 1 27 ASP H . . 5.500 4.871 2.265 5.514 0.014 5 0 "[ . 1 . 2]" 1
201 1 25 LYS HG2 1 27 ASP H . . 5.500 4.768 3.126 5.522 0.022 5 0 "[ . 1 . 2]" 1
202 1 26 GLU HA 1 27 ASP H . . 4.140 3.071 2.502 3.554 . 0 0 "[ . 1 . 2]" 1
203 1 26 GLU HA 1 27 ASP HB2 . . 5.500 4.730 4.045 5.471 . 0 0 "[ . 1 . 2]" 1
204 1 26 GLU HB3 1 27 ASP H . . 5.200 3.937 2.026 4.653 . 0 0 "[ . 1 . 2]" 1
205 1 26 GLU HG2 1 27 ASP H . . 5.500 4.542 2.249 5.208 . 0 0 "[ . 1 . 2]" 1
206 1 27 ASP H 1 28 GLN H . . 4.770 3.613 1.900 4.622 . 0 0 "[ . 1 . 2]" 1
207 1 27 ASP HA 1 28 GLN H . . 4.040 2.600 2.160 3.557 . 0 0 "[ . 1 . 2]" 1
208 1 27 ASP HA 1 28 GLN HG2 . . 5.500 4.620 3.395 5.546 0.046 15 0 "[ . 1 . 2]" 1
209 1 27 ASP HB2 1 28 GLN H . . 4.690 3.996 2.516 4.642 . 0 0 "[ . 1 . 2]" 1
210 1 28 GLN H 1 28 GLN HB2 . . 4.050 3.280 2.377 4.034 . 0 0 "[ . 1 . 2]" 1
211 1 28 GLN H 1 28 GLN HG2 . . 4.610 3.018 1.965 4.475 . 0 0 "[ . 1 . 2]" 1
212 1 28 GLN HA 1 28 GLN HE22 . . 5.500 4.901 3.419 5.519 0.019 15 0 "[ . 1 . 2]" 1
213 1 28 GLN HA 1 29 PHE H . . 4.090 2.834 2.217 3.570 . 0 0 "[ . 1 . 2]" 1
214 1 28 GLN HA 1 30 TYR H . . 5.500 4.656 3.943 5.498 . 0 0 "[ . 1 . 2]" 1
215 1 28 GLN HB2 1 29 PHE H . . 3.530 2.695 1.920 3.543 0.013 9 0 "[ . 1 . 2]" 1
216 1 28 GLN HB2 1 29 PHE HA . . 5.500 4.522 4.088 5.446 . 0 0 "[ . 1 . 2]" 1
217 1 28 GLN HB2 1 30 TYR H . . 5.500 3.942 2.671 5.500 0.000 9 0 "[ . 1 . 2]" 1
218 1 28 GLN HG2 1 29 PHE H . . 5.500 4.130 1.944 4.976 . 0 0 "[ . 1 . 2]" 1
219 1 28 GLN HG2 1 30 TYR H . . 5.500 5.227 4.144 5.541 0.041 10 0 "[ . 1 . 2]" 1
220 1 29 PHE H 1 29 PHE HB2 . . 4.070 3.547 2.801 3.957 . 0 0 "[ . 1 . 2]" 1
221 1 29 PHE H 1 29 PHE QD . . 5.500 3.455 2.052 4.468 . 0 0 "[ . 1 . 2]" 1
222 1 29 PHE H 1 30 TYR H . . 4.550 2.424 1.896 3.825 . 0 0 "[ . 1 . 2]" 1
223 1 29 PHE H 1 30 TYR QE . . 5.500 4.585 3.062 5.463 . 0 0 "[ . 1 . 2]" 1
224 1 29 PHE HA 1 30 TYR H . . 4.370 2.994 2.265 3.565 . 0 0 "[ . 1 . 2]" 1
225 1 29 PHE HB2 1 30 TYR H . . 5.500 4.305 3.596 4.665 . 0 0 "[ . 1 . 2]" 1
226 1 29 PHE QE 1 30 TYR H . . 5.500 5.239 3.781 5.554 0.054 10 0 "[ . 1 . 2]" 1
227 1 30 TYR H 1 30 TYR QE . . 5.500 4.590 4.053 5.502 0.002 18 0 "[ . 1 . 2]" 1
228 1 30 TYR H 1 31 GLU H . . 5.090 4.352 2.620 4.642 . 0 0 "[ . 1 . 2]" 1
229 1 30 TYR HA 1 31 GLU H . . 4.180 2.419 2.140 3.464 . 0 0 "[ . 1 . 2]" 1
230 1 30 TYR HA 1 31 GLU HB3 . . 5.500 4.749 4.383 5.585 0.085 8 0 "[ . 1 . 2]" 1
231 1 30 TYR HA 1 32 THR H . . 5.500 4.028 3.086 4.586 . 0 0 "[ . 1 . 2]" 1
232 1 30 TYR HA 1 33 ASP H . . 5.500 4.998 4.018 5.524 0.024 9 0 "[ . 1 . 2]" 1
233 1 30 TYR HB3 1 31 GLU H . . 5.050 3.510 2.274 4.457 . 0 0 "[ . 1 . 2]" 1
234 1 30 TYR HB3 1 32 THR H . . 5.500 4.282 2.266 5.525 0.025 8 0 "[ . 1 . 2]" 1
235 1 30 TYR QD 1 31 GLU HG2 . . 5.500 4.897 3.381 5.512 0.012 9 0 "[ . 1 . 2]" 1
236 1 30 TYR QD 1 32 THR MG . . 5.500 3.961 2.119 5.197 . 0 0 "[ . 1 . 2]" 1
237 1 30 TYR QE 1 32 THR MG . . 5.500 4.787 3.378 5.501 0.001 5 0 "[ . 1 . 2]" 1
238 1 31 GLU H 1 32 THR H . . 4.820 2.407 1.895 3.788 . 0 0 "[ . 1 . 2]" 1
239 1 31 GLU HA 1 32 THR H . . 3.990 3.276 2.896 3.568 . 0 0 "[ . 1 . 2]" 1
240 1 31 GLU HB2 1 32 THR H . . 5.280 3.872 2.028 4.485 . 0 0 "[ . 1 . 2]" 1
241 1 31 GLU HB2 1 33 ASP H . . 5.500 5.117 4.062 5.550 0.050 9 0 "[ . 1 . 2]" 1
242 1 31 GLU HB3 1 32 THR H . . 5.340 4.003 1.931 4.648 . 0 0 "[ . 1 . 2]" 1
243 1 31 GLU HG2 1 32 THR H . . 5.500 3.429 1.950 5.073 . 0 0 "[ . 1 . 2]" 1
244 1 31 GLU HG2 1 33 ASP H . . 5.500 4.577 2.384 5.538 0.038 8 0 "[ . 1 . 2]" 1
245 1 32 THR H 1 32 THR MG . . 4.750 2.807 1.951 4.020 . 0 0 "[ . 1 . 2]" 1
246 1 32 THR H 1 33 ASP H . . 4.670 2.509 1.890 3.371 . 0 0 "[ . 1 . 2]" 1
247 1 32 THR HA 1 33 ASP H . . 3.840 3.081 2.327 3.505 . 0 0 "[ . 1 . 2]" 1
248 1 32 THR HB 1 33 ASP H . . 4.570 4.215 2.963 4.646 0.076 20 0 "[ . 1 . 2]" 1
249 1 32 THR MG 1 33 ASP H . . 5.020 3.438 1.925 4.382 . 0 0 "[ . 1 . 2]" 1
250 1 33 ASP H 1 33 ASP HB2 . . 4.290 2.951 2.111 3.287 . 0 0 "[ . 1 . 2]" 1
251 1 33 ASP H 1 34 PRO HB3 . . 5.500 5.307 4.818 5.597 0.097 17 0 "[ . 1 . 2]" 1
252 1 33 ASP H 1 34 PRO HD2 . . 5.420 3.474 1.906 4.125 . 0 0 "[ . 1 . 2]" 1
253 1 33 ASP H 1 34 PRO HD3 . . 5.420 2.919 2.483 3.428 . 0 0 "[ . 1 . 2]" 1
254 1 33 ASP H 1 35 ILE MG . . 5.500 5.428 5.007 5.536 0.036 11 0 "[ . 1 . 2]" 1
255 1 33 ASP HA 1 34 PRO HD2 . . 5.500 2.164 1.985 3.766 . 0 0 "[ . 1 . 2]" 1
256 1 33 ASP HA 1 34 PRO HD3 . . 5.500 2.970 2.755 4.056 . 0 0 "[ . 1 . 2]" 1
257 1 33 ASP HA 1 34 PRO HG2 . . 5.500 4.285 4.151 5.688 0.188 17 0 "[ . 1 . 2]" 1
258 1 33 ASP HB2 1 34 PRO HD2 . . 5.500 4.612 2.534 4.867 . 0 0 "[ . 1 . 2]" 1
259 1 33 ASP HB2 1 34 PRO HD3 . . 5.500 4.816 2.111 5.006 . 0 0 "[ . 1 . 2]" 1
260 1 33 ASP HB3 1 34 PRO HD2 . . 5.500 4.557 3.311 4.850 . 0 0 "[ . 1 . 2]" 1
261 1 33 ASP HB3 1 34 PRO HD3 . . 5.500 4.869 2.295 5.066 . 0 0 "[ . 1 . 2]" 1
262 1 34 PRO HA 1 35 ILE H . . 3.740 2.308 2.151 3.386 . 0 0 "[ . 1 . 2]" 1
263 1 34 PRO HA 1 35 ILE HG12 . . 5.500 4.900 3.822 5.540 0.040 11 0 "[ . 1 . 2]" 1
264 1 34 PRO HA 1 35 ILE MG . . 5.500 4.001 3.537 4.731 . 0 0 "[ . 1 . 2]" 1
265 1 34 PRO HB3 1 35 ILE H . . 5.060 4.355 4.088 4.566 . 0 0 "[ . 1 . 2]" 1
266 1 34 PRO HD3 1 35 ILE H . . 5.500 5.285 3.946 5.537 0.037 19 0 "[ . 1 . 2]" 1
267 1 34 PRO HG2 1 35 ILE H . . 5.500 4.912 3.047 5.046 . 0 0 "[ . 1 . 2]" 1
268 1 35 ILE H 1 35 ILE MD . . 5.500 3.676 1.856 4.092 . 0 0 "[ . 1 . 2]" 1
269 1 35 ILE H 1 35 ILE HG12 . . 5.500 2.972 1.997 3.636 . 0 0 "[ . 1 . 2]" 1
270 1 35 ILE H 1 35 ILE HG13 . . 4.600 2.742 2.009 4.138 . 0 0 "[ . 1 . 2]" 1
271 1 35 ILE H 1 35 ILE MG . . 4.590 2.837 2.163 3.101 . 0 0 "[ . 1 . 2]" 1
272 1 35 ILE H 1 36 LEU H . . 4.310 3.853 1.989 4.437 0.127 6 0 "[ . 1 . 2]" 1
273 1 35 ILE HA 1 36 LEU H . . 4.390 2.754 2.176 3.517 . 0 0 "[ . 1 . 2]" 1
274 1 35 ILE HB 1 36 LEU H . . 5.500 2.664 1.935 4.458 . 0 0 "[ . 1 . 2]" 1
275 1 35 ILE MD 1 36 LEU H . . 4.480 3.387 2.250 4.480 . 0 0 "[ . 1 . 2]" 1
276 1 35 ILE MD 1 36 LEU HA . . 5.500 4.156 3.011 5.451 . 0 0 "[ . 1 . 2]" 1
277 1 35 ILE HG12 1 36 LEU H . . 5.500 4.151 2.805 5.359 . 0 0 "[ . 1 . 2]" 1
278 1 35 ILE HG13 1 36 LEU H . . 5.500 3.257 2.036 4.872 . 0 0 "[ . 1 . 2]" 1
279 1 35 ILE HG13 1 38 GLY H . . 5.500 4.429 2.930 5.498 . 0 0 "[ . 1 . 2]" 1
280 1 35 ILE MG 1 36 LEU H . . 5.500 3.785 3.505 4.325 . 0 0 "[ . 1 . 2]" 1
281 1 35 ILE MG 1 38 GLY H . . 5.500 5.026 4.371 5.672 0.172 9 0 "[ . 1 . 2]" 1
282 1 36 LEU HB2 1 37 ARG H . . 4.330 2.974 1.921 4.329 . 0 0 "[ . 1 . 2]" 1
283 1 36 LEU HB3 1 37 ARG H . . 4.690 2.822 1.952 4.099 . 0 0 "[ . 1 . 2]" 1
284 1 36 LEU HB3 1 39 GLY H . . 5.500 5.235 2.246 5.500 . 0 0 "[ . 1 . 2]" 1
285 1 36 LEU MD1 1 37 ARG H . . 4.820 4.154 3.627 4.730 . 0 0 "[ . 1 . 2]" 1
286 1 36 LEU MD1 1 39 GLY H . . 5.500 4.788 3.194 5.497 . 0 0 "[ . 1 . 2]" 1
287 1 36 LEU MD1 1 39 GLY HA2 . . 5.500 5.174 4.179 5.499 . 0 0 "[ . 1 . 2]" 1
288 1 37 ARG H 1 37 ARG HD2 . . 5.470 4.317 2.815 5.184 . 0 0 "[ . 1 . 2]" 1
289 1 37 ARG H 1 37 ARG HE . . 5.500 4.859 3.510 5.494 . 0 0 "[ . 1 . 2]" 1
290 1 37 ARG H 1 37 ARG HG2 . . 5.500 2.751 1.991 4.511 . 0 0 "[ . 1 . 2]" 1
291 1 37 ARG H 1 38 GLY H . . 4.660 2.247 1.917 2.870 . 0 0 "[ . 1 . 2]" 1
292 1 37 ARG HA 1 37 ARG HD2 . . 5.500 4.541 3.005 5.423 . 0 0 "[ . 1 . 2]" 1
293 1 37 ARG HA 1 38 GLY H . . 4.100 3.341 2.961 3.466 . 0 0 "[ . 1 . 2]" 1
294 1 37 ARG HB2 1 37 ARG HE . . 5.500 3.782 2.355 4.615 . 0 0 "[ . 1 . 2]" 1
295 1 37 ARG HB2 1 38 GLY H . . 5.010 3.993 2.979 4.520 . 0 0 "[ . 1 . 2]" 1
296 1 37 ARG HB3 1 37 ARG HE . . 5.500 3.679 2.476 5.060 . 0 0 "[ . 1 . 2]" 1
297 1 37 ARG HB3 1 38 GLY H . . 4.890 4.110 3.279 4.588 . 0 0 "[ . 1 . 2]" 1
298 1 37 ARG HD2 1 38 GLY H . . 5.500 4.792 3.790 5.453 . 0 0 "[ . 1 . 2]" 1
299 1 37 ARG HG2 1 38 GLY H . . 5.020 3.664 2.177 5.012 . 0 0 "[ . 1 . 2]" 1
300 1 39 GLY H 1 40 ASP HB2 . . 5.500 4.919 3.481 5.499 . 0 0 "[ . 1 . 2]" 1
301 1 39 GLY HA2 1 40 ASP H . . 3.840 2.850 2.157 3.569 . 0 0 "[ . 1 . 2]" 1
302 1 39 GLY HA2 1 40 ASP HA . . 5.500 4.624 4.308 5.359 . 0 0 "[ . 1 . 2]" 1
303 1 39 GLY HA2 1 40 ASP HB2 . . 5.500 4.464 3.876 5.416 . 0 0 "[ . 1 . 2]" 1
304 1 40 ASP H 1 41 VAL HB . . 5.500 5.043 4.076 5.500 . 0 0 "[ . 1 . 2]" 1
305 1 40 ASP HA 1 41 VAL H . . 3.890 2.812 2.140 3.571 . 0 0 "[ . 1 . 2]" 1
306 1 40 ASP HB2 1 41 VAL H . . 5.080 4.025 2.761 4.654 . 0 0 "[ . 1 . 2]" 1
307 1 40 ASP HB2 1 42 LYS H . . 5.500 5.201 4.662 5.501 0.001 14 0 "[ . 1 . 2]" 1
308 1 41 VAL H 1 41 VAL HB . . 3.820 2.731 2.435 3.640 . 0 0 "[ . 1 . 2]" 1
309 1 41 VAL H 1 41 VAL MG2 . . 3.780 3.237 1.935 3.780 0.000 1 0 "[ . 1 . 2]" 1
310 1 41 VAL HA 1 42 LYS H . . 4.240 3.491 3.463 3.562 . 0 0 "[ . 1 . 2]" 1
311 1 41 VAL HB 1 42 LYS H . . 5.500 3.798 2.361 4.086 . 0 0 "[ . 1 . 2]" 1
312 1 41 VAL MG2 1 42 LYS H . . 4.820 3.547 2.203 3.944 . 0 0 "[ . 1 . 2]" 1
313 1 41 VAL MG2 1 42 LYS HA . . 5.500 4.424 3.633 5.502 0.002 14 0 "[ . 1 . 2]" 1
314 1 41 VAL MG2 1 43 SER H . . 5.500 4.615 2.516 5.452 . 0 0 "[ . 1 . 2]" 1
315 1 42 LYS H 1 42 LYS HG2 . . 4.540 3.709 2.025 4.516 . 0 0 "[ . 1 . 2]" 1
316 1 42 LYS HB2 1 43 SER H . . 5.500 4.046 2.699 4.658 . 0 0 "[ . 1 . 2]" 1
317 1 42 LYS HG2 1 43 SER H . . 5.500 4.052 2.284 4.830 . 0 0 "[ . 1 . 2]" 1
318 1 43 SER HA 1 44 SER H . . 4.130 2.722 2.139 3.570 . 0 0 "[ . 1 . 2]" 1
319 1 43 SER HB2 1 44 SER H . . 5.500 3.303 1.992 4.635 . 0 0 "[ . 1 . 2]" 1
320 1 44 SER HA 1 45 GLY H . . 4.900 2.803 2.161 3.572 . 0 0 "[ . 1 . 2]" 1
321 1 45 GLY HA2 1 46 SER H . . 4.770 2.604 2.188 3.305 . 0 0 "[ . 1 . 2]" 1
322 1 48 SER H 1 48 SER HB2 . . 4.370 3.323 2.178 4.089 . 0 0 "[ . 1 . 2]" 1
323 1 48 SER HA 1 49 GLY H . . 3.980 2.463 2.160 2.697 . 0 0 "[ . 1 . 2]" 1
324 1 49 GLY H 1 50 LYS H . . 4.710 2.883 1.926 4.301 . 0 0 "[ . 1 . 2]" 1
325 1 49 GLY H 1 50 LYS HA . . 5.500 4.587 4.251 5.271 . 0 0 "[ . 1 . 2]" 1
326 1 49 GLY H 1 50 LYS HB2 . . 5.500 4.437 3.326 5.476 . 0 0 "[ . 1 . 2]" 1
327 1 50 LYS H 1 50 LYS HB2 . . 3.700 2.361 2.062 2.682 . 0 0 "[ . 1 . 2]" 1
328 1 50 LYS HA 1 51 LYS H . . 4.420 3.422 2.880 3.570 . 0 0 "[ . 1 . 2]" 1
329 1 51 LYS H 1 52 GLY HA2 . . 5.500 5.115 3.960 5.471 . 0 0 "[ . 1 . 2]" 1
330 1 51 LYS HA 1 53 GLY H . . 5.140 4.731 3.385 5.126 . 0 0 "[ . 1 . 2]" 1
331 1 51 LYS HB2 1 52 GLY H . . 4.790 3.741 2.509 4.546 . 0 0 "[ . 1 . 2]" 1
332 1 51 LYS HB2 1 53 GLY H . . 5.500 4.888 3.391 5.501 0.001 11 0 "[ . 1 . 2]" 1
333 1 53 GLY H 1 54 THR MG . . 5.500 4.652 2.424 5.413 . 0 0 "[ . 1 . 2]" 1
334 1 53 GLY HA2 1 54 THR H . . 4.310 2.668 2.157 3.545 . 0 0 "[ . 1 . 2]" 1
335 1 53 GLY HA2 1 54 THR MG . . 5.500 4.569 3.559 5.493 . 0 0 "[ . 1 . 2]" 1
336 1 55 THR MG 1 56 SER H . . 5.410 2.907 1.954 4.255 . 0 0 "[ . 1 . 2]" 1
337 1 55 THR MG 1 56 SER HA . . 5.500 4.239 3.431 5.328 . 0 0 "[ . 1 . 2]" 1
338 1 55 THR MG 1 56 SER HB2 . . 5.500 4.358 2.614 5.419 . 0 0 "[ . 1 . 2]" 1
339 1 56 SER HA 1 59 LYS HG2 . . 5.500 5.169 4.606 5.492 . 0 0 "[ . 1 . 2]" 1
340 1 58 LYS H 1 58 LYS HD2 . . 5.500 4.573 2.747 5.472 . 0 0 "[ . 1 . 2]" 1
341 1 58 LYS H 1 58 LYS HE2 . . 5.500 4.590 2.815 5.483 . 0 0 "[ . 1 . 2]" 1
342 1 58 LYS H 1 58 LYS HG2 . . 5.500 3.804 2.162 5.280 . 0 0 "[ . 1 . 2]" 1
343 1 58 LYS HA 1 58 LYS HD2 . . 5.500 3.692 2.116 4.947 . 0 0 "[ . 1 . 2]" 1
344 1 58 LYS HA 1 59 LYS H . . 3.610 2.729 2.141 3.566 . 0 0 "[ . 1 . 2]" 1
345 1 58 LYS HB2 1 58 LYS HE2 . . 5.500 3.659 2.095 4.992 . 0 0 "[ . 1 . 2]" 1
346 1 58 LYS HB2 1 59 LYS H . . 5.500 3.862 1.919 4.648 . 0 0 "[ . 1 . 2]" 1
347 1 58 LYS HD2 1 59 LYS H . . 5.500 4.913 3.737 5.540 0.040 20 0 "[ . 1 . 2]" 1
348 1 58 LYS HE2 1 59 LYS H . . 5.500 4.733 3.220 5.520 0.020 20 0 "[ . 1 . 2]" 1
349 1 58 LYS HG2 1 59 LYS H . . 5.500 4.354 1.957 5.477 . 0 0 "[ . 1 . 2]" 1
350 1 59 LYS H 1 59 LYS HG2 . . 4.180 3.193 1.970 4.177 . 0 0 "[ . 1 . 2]" 1
351 1 59 LYS H 1 62 VAL H . . 5.500 5.372 4.635 5.504 0.004 2 0 "[ . 1 . 2]" 1
352 1 59 LYS HA 1 60 GLY H . . 4.020 3.029 2.146 3.575 . 0 0 "[ . 1 . 2]" 1
353 1 59 LYS HA 1 61 THR H . . 5.500 3.937 2.977 5.440 . 0 0 "[ . 1 . 2]" 1
354 1 59 LYS HA 1 61 THR MG . . 5.500 4.209 2.974 5.396 . 0 0 "[ . 1 . 2]" 1
355 1 59 LYS HB2 1 61 THR H . . 5.500 3.892 2.527 5.116 . 0 0 "[ . 1 . 2]" 1
356 1 59 LYS HB2 1 62 VAL H . . 5.500 4.472 3.126 5.524 0.024 2 0 "[ . 1 . 2]" 1
357 1 59 LYS HE2 1 63 SER H . . 5.500 5.139 4.270 5.501 0.001 2 0 "[ . 1 . 2]" 1
358 1 59 LYS HG2 1 60 GLY H . . 5.190 4.201 2.858 5.038 . 0 0 "[ . 1 . 2]" 1
359 1 59 LYS HG2 1 61 THR H . . 5.500 5.061 3.704 5.637 0.137 19 0 "[ . 1 . 2]" 1
360 1 60 GLY H 1 61 THR H . . 4.540 2.649 2.114 3.823 . 0 0 "[ . 1 . 2]" 1
361 1 60 GLY H 1 61 THR MG . . 5.500 4.034 3.397 4.972 . 0 0 "[ . 1 . 2]" 1
362 1 60 GLY H 1 62 VAL H . . 5.500 4.068 2.876 4.936 . 0 0 "[ . 1 . 2]" 1
363 1 60 GLY H 1 62 VAL MG1 . . 5.500 4.278 2.475 5.349 . 0 0 "[ . 1 . 2]" 1
364 1 60 GLY HA2 1 61 THR H . . 4.110 3.112 2.450 3.441 . 0 0 "[ . 1 . 2]" 1
365 1 60 GLY HA2 1 62 VAL H . . 5.430 4.157 3.554 4.939 . 0 0 "[ . 1 . 2]" 1
366 1 60 GLY HA2 1 63 SER H . . 4.640 4.194 3.061 4.643 0.003 14 0 "[ . 1 . 2]" 1
367 1 61 THR H 1 61 THR MG . . 4.490 2.497 1.974 3.634 . 0 0 "[ . 1 . 2]" 1
368 1 61 THR H 1 62 VAL H . . 4.080 2.138 1.891 3.067 . 0 0 "[ . 1 . 2]" 1
369 1 61 THR H 1 62 VAL HB . . 5.500 4.474 3.833 5.022 . 0 0 "[ . 1 . 2]" 1
370 1 61 THR H 1 62 VAL MG1 . . 5.220 3.383 2.768 4.175 . 0 0 "[ . 1 . 2]" 1
371 1 61 THR H 1 64 ILE HG12 . . 5.500 4.871 3.451 5.481 . 0 0 "[ . 1 . 2]" 1
372 1 61 THR HA 1 62 VAL H . . 4.330 3.291 2.817 3.557 . 0 0 "[ . 1 . 2]" 1
373 1 61 THR HA 1 62 VAL HB . . 5.500 5.405 4.865 5.502 0.002 19 0 "[ . 1 . 2]" 1
374 1 61 THR HA 1 64 ILE HG12 . . 5.500 3.793 2.231 5.464 . 0 0 "[ . 1 . 2]" 1
375 1 61 THR HB 1 62 VAL H . . 5.500 4.106 3.052 4.584 . 0 0 "[ . 1 . 2]" 1
376 1 61 THR MG 1 62 VAL H . . 5.460 3.256 2.004 4.335 . 0 0 "[ . 1 . 2]" 1
377 1 62 VAL H 1 62 VAL HB . . 4.160 2.988 2.744 3.572 . 0 0 "[ . 1 . 2]" 1
378 1 62 VAL H 1 62 VAL MG1 . . 4.130 2.048 1.929 2.553 . 0 0 "[ . 1 . 2]" 1
379 1 62 VAL H 1 63 SER H . . 5.050 1.986 1.898 2.623 . 0 0 "[ . 1 . 2]" 1
380 1 62 VAL H 1 64 ILE HG12 . . 5.500 4.641 3.791 5.500 0.000 19 0 "[ . 1 . 2]" 1
381 1 62 VAL HA 1 63 SER H . . 5.500 3.459 3.006 3.516 . 0 0 "[ . 1 . 2]" 1
382 1 62 VAL HA 1 64 ILE H . . 5.500 4.444 3.693 5.172 . 0 0 "[ . 1 . 2]" 1
383 1 62 VAL HB 1 63 SER H . . 4.780 4.039 3.967 4.492 . 0 0 "[ . 1 . 2]" 1
384 1 62 VAL MG1 1 63 SER H . . 4.240 2.242 1.962 3.307 . 0 0 "[ . 1 . 2]" 1
385 1 62 VAL MG1 1 63 SER HB2 . . 5.500 3.769 2.856 4.701 . 0 0 "[ . 1 . 2]" 1
386 1 63 SER H 1 63 SER HB2 . . 4.350 2.626 2.090 3.389 . 0 0 "[ . 1 . 2]" 1
387 1 63 SER H 1 64 ILE MG . . 5.500 4.457 3.515 5.144 . 0 0 "[ . 1 . 2]" 1
388 1 63 SER HA 1 64 ILE H . . 3.980 3.166 2.306 3.568 . 0 0 "[ . 1 . 2]" 1
389 1 63 SER HB2 1 64 ILE H . . 4.790 3.395 2.084 4.508 . 0 0 "[ . 1 . 2]" 1
390 1 63 SER HB2 1 64 ILE MD . . 5.500 4.966 2.918 5.498 . 0 0 "[ . 1 . 2]" 1
391 1 63 SER HB2 1 64 ILE MG . . 5.500 4.030 2.936 5.499 . 0 0 "[ . 1 . 2]" 1
392 1 64 ILE H 1 64 ILE HB . . 4.250 3.636 2.839 3.816 . 0 0 "[ . 1 . 2]" 1
393 1 64 ILE H 1 64 ILE MD . . 5.200 2.977 1.877 3.989 . 0 0 "[ . 1 . 2]" 1
394 1 64 ILE H 1 64 ILE HG12 . . 4.590 2.778 1.981 3.890 . 0 0 "[ . 1 . 2]" 1
395 1 64 ILE H 1 65 PRO HD2 . . 5.500 4.762 4.708 4.801 . 0 0 "[ . 1 . 2]" 1
396 1 64 ILE H 1 65 PRO HD3 . . 5.500 4.955 4.411 5.027 . 0 0 "[ . 1 . 2]" 1
397 1 64 ILE HA 1 65 PRO HD2 . . 5.500 2.428 1.992 2.481 . 0 0 "[ . 1 . 2]" 1
398 1 64 ILE HA 1 65 PRO HD3 . . 5.500 2.320 2.300 2.336 . 0 0 "[ . 1 . 2]" 1
399 1 64 ILE HA 1 65 PRO HG2 . . 5.500 4.536 4.187 4.581 . 0 0 "[ . 1 . 2]" 1
400 1 64 ILE HB 1 66 SER H . . 5.040 2.904 2.194 4.470 . 0 0 "[ . 1 . 2]" 1
401 1 64 ILE MD 1 65 PRO HD2 . . 5.500 3.875 2.907 4.557 . 0 0 "[ . 1 . 2]" 1
402 1 64 ILE HG12 1 65 PRO HD2 . . 5.500 4.599 4.348 4.909 . 0 0 "[ . 1 . 2]" 1
403 1 64 ILE HG12 1 66 SER H . . 5.500 4.730 3.724 5.441 . 0 0 "[ . 1 . 2]" 1
404 1 64 ILE MG 1 65 PRO HA . . 5.500 5.469 4.362 5.664 0.164 3 0 "[ . 1 . 2]" 1
405 1 64 ILE MG 1 65 PRO HD2 . . 5.500 2.578 1.973 2.982 . 0 0 "[ . 1 . 2]" 1
406 1 64 ILE MG 1 65 PRO HD3 . . 5.500 3.369 3.152 3.683 . 0 0 "[ . 1 . 2]" 1
407 1 64 ILE MG 1 66 SER H . . 5.500 4.242 1.855 5.525 0.025 16 0 "[ . 1 . 2]" 1
408 1 65 PRO HA 1 66 SER H . . 3.860 3.343 2.445 3.567 . 0 0 "[ . 1 . 2]" 1
409 1 65 PRO HB3 1 66 SER H . . 5.230 4.208 3.943 4.572 . 0 0 "[ . 1 . 2]" 1
410 1 65 PRO HB3 1 68 LYS HA . . 5.500 5.074 4.077 5.638 0.138 4 0 "[ . 1 . 2]" 1
411 1 65 PRO HB3 1 69 LYS H . . 4.760 4.393 2.735 4.801 0.041 5 0 "[ . 1 . 2]" 1
412 1 65 PRO HD2 1 66 SER H . . 5.500 3.039 2.645 4.839 . 0 0 "[ . 1 . 2]" 1
413 1 65 PRO HG2 1 66 SER H . . 5.500 2.791 1.998 4.887 . 0 0 "[ . 1 . 2]" 1
414 1 65 PRO HG2 1 68 LYS H . . 5.500 4.584 2.458 5.682 0.182 7 0 "[ . 1 . 2]" 1
415 1 66 SER H 1 67 LYS H . . 4.600 3.137 2.554 4.605 0.005 7 0 "[ . 1 . 2]" 1
416 1 66 SER HB2 1 67 LYS H . . 5.020 3.850 1.927 4.633 . 0 0 "[ . 1 . 2]" 1
417 1 68 LYS HB2 1 70 ASN H . . 5.500 5.094 4.080 5.502 0.002 12 0 "[ . 1 . 2]" 1
418 1 69 LYS H 1 69 LYS HG2 . . 5.040 3.998 2.129 5.136 0.096 4 0 "[ . 1 . 2]" 1
419 1 69 LYS HA 1 70 ASN H . . 4.350 2.989 2.146 3.569 . 0 0 "[ . 1 . 2]" 1
420 1 69 LYS HA 1 70 ASN HB2 . . 5.500 4.774 4.084 5.642 0.142 12 0 "[ . 1 . 2]" 1
421 1 69 LYS HD2 1 70 ASN H . . 5.500 4.776 3.070 5.508 0.008 4 0 "[ . 1 . 2]" 1
422 1 69 LYS HG2 1 70 ASN H . . 5.500 4.400 2.495 5.511 0.011 4 0 "[ . 1 . 2]" 1
423 1 70 ASN HB2 1 71 GLY H . . 5.100 3.508 2.626 4.630 . 0 0 "[ . 1 . 2]" 1
424 1 70 ASN HB2 1 71 GLY HA2 . . 5.500 5.029 4.072 5.522 0.022 17 0 "[ . 1 . 2]" 1
425 1 70 ASN HB3 1 71 GLY H . . 4.890 3.049 2.078 4.435 . 0 0 "[ . 1 . 2]" 1
426 1 71 GLY HA2 1 72 ASN H . . 5.500 2.750 2.138 3.566 . 0 0 "[ . 1 . 2]" 1
427 1 73 GLY HA2 1 74 GLY H . . 5.200 2.788 2.145 3.570 . 0 0 "[ . 1 . 2]" 1
428 1 74 GLY HA2 1 75 VAL H . . 4.520 2.586 2.139 3.501 . 0 0 "[ . 1 . 2]" 1
429 1 74 GLY HA2 1 75 VAL MG1 . . 5.500 4.846 3.710 5.487 . 0 0 "[ . 1 . 2]" 1
430 1 74 GLY HA2 1 75 VAL MG2 . . 5.500 4.287 3.431 5.547 0.047 13 0 "[ . 1 . 2]" 1
431 1 74 GLY HA2 1 76 PHE H . . 5.500 4.154 3.319 4.735 . 0 0 "[ . 1 . 2]" 1
432 1 74 GLY HA3 1 75 VAL H . . 5.500 2.821 2.236 3.507 . 0 0 "[ . 1 . 2]" 1
433 1 74 GLY HA3 1 75 VAL MG2 . . 5.500 4.870 3.944 5.548 0.048 8 0 "[ . 1 . 2]" 1
434 1 75 VAL HA 1 76 PHE H . . 4.770 3.492 3.435 3.553 . 0 0 "[ . 1 . 2]" 1
435 1 75 VAL HB 1 76 PHE H . . 5.150 3.408 2.466 4.054 . 0 0 "[ . 1 . 2]" 1
436 1 75 VAL MG1 1 76 PHE H . . 5.500 3.354 2.097 4.117 . 0 0 "[ . 1 . 2]" 1
437 1 75 VAL MG1 1 76 PHE QD . . 5.500 3.201 1.958 4.655 . 0 0 "[ . 1 . 2]" 1
438 1 75 VAL MG1 1 76 PHE QE . . 5.500 3.412 2.382 4.251 . 0 0 "[ . 1 . 2]" 1
439 1 75 VAL MG1 1 76 PHE HZ . . 5.500 4.473 3.137 5.343 . 0 0 "[ . 1 . 2]" 1
440 1 75 VAL MG2 1 76 PHE H . . 5.500 3.341 2.118 3.995 . 0 0 "[ . 1 . 2]" 1
441 1 75 VAL MG2 1 76 PHE QD . . 5.500 3.786 2.627 4.579 . 0 0 "[ . 1 . 2]" 1
442 1 76 PHE H 1 76 PHE QD . . 5.500 3.006 2.179 3.541 . 0 0 "[ . 1 . 2]" 1
443 1 76 PHE H 1 76 PHE QE . . 5.500 4.666 3.902 5.468 . 0 0 "[ . 1 . 2]" 1
444 1 76 PHE H 1 79 LEU H . . 5.500 5.071 4.099 5.490 . 0 0 "[ . 1 . 2]" 1
445 1 76 PHE H 1 79 LEU HB2 . . 5.500 4.770 2.888 5.493 . 0 0 "[ . 1 . 2]" 1
446 1 76 PHE HA 1 77 GLY H . . 4.980 2.930 2.275 3.570 . 0 0 "[ . 1 . 2]" 1
447 1 76 PHE HB2 1 77 GLY H . . 5.500 2.688 1.949 4.132 . 0 0 "[ . 1 . 2]" 1
448 1 76 PHE HB2 1 79 LEU H . . 5.500 3.965 2.307 5.320 . 0 0 "[ . 1 . 2]" 1
449 1 76 PHE HB3 1 77 GLY H . . 5.500 3.090 2.216 4.118 . 0 0 "[ . 1 . 2]" 1
450 1 76 PHE HB3 1 78 GLY H . . 5.500 3.951 2.458 5.471 . 0 0 "[ . 1 . 2]" 1
451 1 76 PHE HB3 1 79 LEU H . . 5.500 4.377 2.051 5.452 . 0 0 "[ . 1 . 2]" 1
452 1 76 PHE QD 1 77 GLY H . . 5.500 3.123 2.157 3.510 . 0 0 "[ . 1 . 2]" 1
453 1 76 PHE QE 1 77 GLY H . . 5.500 5.294 3.657 5.558 0.058 11 0 "[ . 1 . 2]" 1
454 1 77 GLY H 1 79 LEU H . . 5.500 3.887 2.944 5.251 . 0 0 "[ . 1 . 2]" 1
455 1 78 GLY H 1 79 LEU H . . 4.570 2.329 1.903 3.058 . 0 0 "[ . 1 . 2]" 1
456 1 78 GLY H 1 79 LEU MD2 . . 5.500 4.642 3.037 5.477 . 0 0 "[ . 1 . 2]" 1
457 1 78 GLY H 1 80 PHE H . . 5.080 4.264 2.779 5.043 . 0 0 "[ . 1 . 2]" 1
458 1 78 GLY H 1 81 ALA MB . . 5.500 4.874 3.605 5.460 . 0 0 "[ . 1 . 2]" 1
459 1 78 GLY HA2 1 79 LEU H . . 4.240 2.933 2.428 3.508 . 0 0 "[ . 1 . 2]" 1
460 1 78 GLY HA2 1 81 ALA H . . 5.330 3.674 3.246 4.228 . 0 0 "[ . 1 . 2]" 1
461 1 78 GLY HA2 1 81 ALA MB . . 5.500 2.824 1.982 3.479 . 0 0 "[ . 1 . 2]" 1
462 1 79 LEU H 1 79 LEU HB3 . . 4.380 3.064 2.465 3.622 . 0 0 "[ . 1 . 2]" 1
463 1 79 LEU H 1 79 LEU MD1 . . 5.500 4.105 3.545 4.326 . 0 0 "[ . 1 . 2]" 1
464 1 79 LEU H 1 79 LEU MD2 . . 5.500 3.598 2.051 4.271 . 0 0 "[ . 1 . 2]" 1
465 1 79 LEU H 1 80 PHE H . . 4.260 2.281 2.081 2.678 . 0 0 "[ . 1 . 2]" 1
466 1 79 LEU H 1 80 PHE HB3 . . 5.500 5.382 5.016 5.508 0.008 2 0 "[ . 1 . 2]" 1
467 1 79 LEU H 1 81 ALA MB . . 4.850 4.394 4.012 4.789 . 0 0 "[ . 1 . 2]" 1
468 1 79 LEU HA 1 80 PHE H . . 4.830 3.503 3.459 3.544 . 0 0 "[ . 1 . 2]" 1
469 1 79 LEU HA 1 81 ALA MB . . 5.500 4.714 4.230 5.327 . 0 0 "[ . 1 . 2]" 1
470 1 79 LEU HB2 1 80 PHE H . . 5.230 3.414 3.005 3.971 . 0 0 "[ . 1 . 2]" 1
471 1 79 LEU HB2 1 80 PHE QD . . 5.500 4.019 2.860 5.177 . 0 0 "[ . 1 . 2]" 1
472 1 79 LEU HB3 1 80 PHE H . . 5.320 3.138 2.521 4.088 . 0 0 "[ . 1 . 2]" 1
473 1 79 LEU HB3 1 81 ALA H . . 5.500 4.933 4.363 5.493 . 0 0 "[ . 1 . 2]" 1
474 1 79 LEU MD1 1 80 PHE H . . 5.500 4.226 2.859 4.935 . 0 0 "[ . 1 . 2]" 1
475 1 79 LEU MD1 1 80 PHE QD . . 5.500 3.884 2.021 4.636 . 0 0 "[ . 1 . 2]" 1
476 1 79 LEU MD1 1 80 PHE QE . . 5.500 4.940 2.801 5.493 . 0 0 "[ . 1 . 2]" 1
477 1 79 LEU MD2 1 80 PHE H . . 5.500 4.393 3.104 4.936 . 0 0 "[ . 1 . 2]" 1
478 1 79 LEU MD2 1 81 ALA H . . 5.500 5.311 4.590 5.505 0.005 11 0 "[ . 1 . 2]" 1
479 1 80 PHE H 1 80 PHE QD . . 5.500 2.855 2.275 3.239 . 0 0 "[ . 1 . 2]" 1
480 1 80 PHE H 1 80 PHE QE . . 5.500 4.766 3.840 5.501 0.001 10 0 "[ . 1 . 2]" 1
481 1 80 PHE H 1 81 ALA H . . 4.410 2.567 1.919 2.728 . 0 0 "[ . 1 . 2]" 1
482 1 80 PHE H 1 81 ALA MB . . 5.500 3.968 3.533 4.295 . 0 0 "[ . 1 . 2]" 1
483 1 80 PHE HA 1 81 ALA H . . 4.630 3.142 2.984 3.483 . 0 0 "[ . 1 . 2]" 1
484 1 80 PHE HB2 1 81 ALA H . . 5.340 4.004 3.213 4.470 . 0 0 "[ . 1 . 2]" 1
485 1 80 PHE HB3 1 81 ALA H . . 5.340 4.119 3.257 4.614 . 0 0 "[ . 1 . 2]" 1
486 1 81 ALA H 1 82 LYS H . . 5.090 3.836 2.147 4.633 . 0 0 "[ . 1 . 2]" 1
487 1 81 ALA HA 1 82 LYS H . . 5.500 2.822 2.141 3.572 . 0 0 "[ . 1 . 2]" 1
488 1 81 ALA MB 1 82 LYS H . . 4.200 2.427 1.938 3.381 . 0 0 "[ . 1 . 2]" 1
489 1 83 LYS HA 1 84 ASP H . . 3.930 2.683 2.169 3.570 . 0 0 "[ . 1 . 2]" 1
490 1 83 LYS HB3 1 84 ASP H . . 5.500 3.276 2.025 4.649 . 0 0 "[ . 1 . 2]" 1
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