NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
610024 |
2n8n   |
25856 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n8n
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 736
_Distance_constraint_stats_list.Viol_count 1171
_Distance_constraint_stats_list.Viol_total 1166.241
_Distance_constraint_stats_list.Viol_max 0.428
_Distance_constraint_stats_list.Viol_rms 0.0183
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0498
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 ASP 1.928 0.220 16 0 "[ . 1 . 2]"
1 6 VAL 2.287 0.220 16 0 "[ . 1 . 2]"
1 7 ILE 0.566 0.111 16 0 "[ . 1 . 2]"
1 8 GLU 0.254 0.109 2 0 "[ . 1 . 2]"
1 9 LEU 1.464 0.093 14 0 "[ . 1 . 2]"
1 10 GLU 0.684 0.238 7 0 "[ . 1 . 2]"
1 11 GLY 0.852 0.069 8 0 "[ . 1 . 2]"
1 12 THR 2.227 0.088 20 0 "[ . 1 . 2]"
1 13 VAL 4.436 0.116 8 0 "[ . 1 . 2]"
1 14 LEU 0.734 0.088 18 0 "[ . 1 . 2]"
1 15 ASP 2.737 0.183 6 0 "[ . 1 . 2]"
1 16 THR 0.787 0.183 6 0 "[ . 1 . 2]"
1 17 LEU 2.663 0.131 8 0 "[ . 1 . 2]"
1 18 PRO 0.128 0.049 1 0 "[ . 1 . 2]"
1 19 ASN 1.024 0.070 7 0 "[ . 1 . 2]"
1 20 ALA 1.665 0.093 4 0 "[ . 1 . 2]"
1 21 MET 3.486 0.136 5 0 "[ . 1 . 2]"
1 22 PHE 1.145 0.136 5 0 "[ . 1 . 2]"
1 23 LYS 0.255 0.034 8 0 "[ . 1 . 2]"
1 24 VAL 6.031 0.131 8 0 "[ . 1 . 2]"
1 25 GLU 1.824 0.135 15 0 "[ . 1 . 2]"
1 26 LEU 1.650 0.100 4 0 "[ . 1 . 2]"
1 27 GLU 0.554 0.115 15 0 "[ . 1 . 2]"
1 28 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 HIS 5.133 0.162 3 0 "[ . 1 . 2]"
1 31 GLU 5.126 0.162 3 0 "[ . 1 . 2]"
1 32 ILE 3.580 0.109 18 0 "[ . 1 . 2]"
1 33 LEU 3.342 0.149 4 0 "[ . 1 . 2]"
1 34 ALA 0.959 0.075 8 0 "[ . 1 . 2]"
1 35 HIS 0.982 0.137 14 0 "[ . 1 . 2]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 SER 0.430 0.049 1 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ILE 1.349 0.154 20 0 "[ . 1 . 2]"
1 41 ARG 1.161 0.093 4 0 "[ . 1 . 2]"
1 42 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ASN 0.825 0.144 1 0 "[ . 1 . 2]"
1 44 TYR 1.477 0.182 20 0 "[ . 1 . 2]"
1 45 ILE 2.146 0.374 11 0 "[ . 1 . 2]"
1 46 ARG 0.081 0.027 5 0 "[ . 1 . 2]"
1 47 ILE 1.259 0.112 3 0 "[ . 1 . 2]"
1 48 LEU 1.228 0.101 2 0 "[ . 1 . 2]"
1 49 PRO 2.120 0.131 2 0 "[ . 1 . 2]"
1 50 GLY 0.026 0.018 14 0 "[ . 1 . 2]"
1 51 ASP 1.647 0.208 3 0 "[ . 1 . 2]"
1 52 LYS 1.342 0.208 3 0 "[ . 1 . 2]"
1 53 VAL 1.284 0.113 15 0 "[ . 1 . 2]"
1 54 THR 0.062 0.038 7 0 "[ . 1 . 2]"
1 55 VAL 2.487 0.238 7 0 "[ . 1 . 2]"
1 56 GLU 1.238 0.192 18 0 "[ . 1 . 2]"
1 57 MET 3.942 0.119 2 0 "[ . 1 . 2]"
1 58 SER 1.683 0.107 4 0 "[ . 1 . 2]"
1 59 PRO 0.244 0.032 8 0 "[ . 1 . 2]"
1 60 TYR 0.200 0.030 9 0 "[ . 1 . 2]"
1 61 ASP 2.739 0.160 12 0 "[ . 1 . 2]"
1 62 LEU 2.300 0.179 7 0 "[ . 1 . 2]"
1 63 THR 0.657 0.428 9 0 "[ . 1 . 2]"
1 64 ARG 2.584 0.160 12 0 "[ . 1 . 2]"
1 65 GLY 0.731 0.086 10 0 "[ . 1 . 2]"
1 66 ARG 3.548 0.192 18 0 "[ . 1 . 2]"
1 67 ILE 3.352 0.215 16 0 "[ . 1 . 2]"
1 68 THR 3.385 0.215 16 0 "[ . 1 . 2]"
1 69 TYR 1.761 0.243 8 0 "[ . 1 . 2]"
1 70 ARG 1.286 0.206 2 0 "[ . 1 . 2]"
1 71 TYR 1.500 0.206 2 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 5 ASP HA 1 6 VAL H 2.545 . 3.290 3.104 1.820 3.449 0.159 2 0 "[ . 1 . 2]" 1
2 1 5 ASP QB 1 6 VAL H 2.455 . 3.110 2.867 2.170 3.330 0.220 16 0 "[ . 1 . 2]" 1
3 1 5 ASP QB 1 6 VAL HB 3.570 . 5.340 4.634 3.948 5.416 0.076 4 0 "[ . 1 . 2]" 1
4 1 5 ASP HB2 1 6 VAL MG2 3.650 . 5.500 3.255 2.538 5.368 . 0 0 "[ . 1 . 2]" 1
5 1 5 ASP HB3 1 6 VAL MG2 3.650 . 5.500 4.089 2.608 5.380 . 0 0 "[ . 1 . 2]" 1
6 1 6 VAL H 1 6 VAL HB 2.385 . 2.970 2.674 2.452 2.837 . 0 0 "[ . 1 . 2]" 1
7 1 6 VAL H 1 6 VAL MG1 3.650 . 5.500 3.859 3.766 3.941 . 0 0 "[ . 1 . 2]" 1
8 1 6 VAL H 1 6 VAL MG2 3.650 . 5.500 2.670 2.340 3.096 . 0 0 "[ . 1 . 2]" 1
9 1 6 VAL H 1 7 ILE H 3.650 . 5.500 4.355 4.022 4.533 . 0 0 "[ . 1 . 2]" 1
10 1 6 VAL HA 1 7 ILE H 2.100 . 2.400 2.359 2.243 2.511 0.111 16 0 "[ . 1 . 2]" 1
11 1 6 VAL HA 1 58 SER HA 3.650 . 5.500 3.234 2.389 4.962 . 0 0 "[ . 1 . 2]" 1
12 1 6 VAL HA 1 59 PRO QD 3.650 . 5.500 2.686 2.173 4.165 . 0 0 "[ . 1 . 2]" 1
13 1 6 VAL HB 1 7 ILE H 3.650 . 5.500 3.806 3.453 3.973 . 0 0 "[ . 1 . 2]" 1
14 1 6 VAL HB 1 57 MET H 3.650 . 5.500 5.145 4.590 5.533 0.033 2 0 "[ . 1 . 2]" 1
15 1 6 VAL MG1 1 7 ILE H 2.100 . 2.400 2.268 1.830 2.418 0.018 8 0 "[ . 1 . 2]" 1
16 1 6 VAL MG1 1 56 GLU QB 3.570 . 5.340 2.332 1.880 3.799 . 0 0 "[ . 1 . 2]" 1
17 1 6 VAL MG1 1 56 GLU HG2 3.650 . 5.500 3.652 2.007 4.884 . 0 0 "[ . 1 . 2]" 1
18 1 6 VAL MG1 1 56 GLU QG 3.570 . 5.340 3.139 1.900 3.806 . 0 0 "[ . 1 . 2]" 1
19 1 6 VAL MG1 1 56 GLU HG3 3.650 . 5.500 3.756 2.351 4.810 . 0 0 "[ . 1 . 2]" 1
20 1 6 VAL MG1 1 57 MET H 2.625 . 3.450 2.654 2.423 2.946 . 0 0 "[ . 1 . 2]" 1
21 1 6 VAL MG1 1 58 SER HA 3.650 . 5.500 3.213 2.476 3.751 . 0 0 "[ . 1 . 2]" 1
22 1 6 VAL MG1 1 59 PRO QD 3.650 . 5.500 3.752 2.953 4.594 . 0 0 "[ . 1 . 2]" 1
23 1 6 VAL MG2 1 7 ILE H 3.650 . 5.500 4.070 3.876 4.218 . 0 0 "[ . 1 . 2]" 1
24 1 6 VAL MG2 1 57 MET H 3.650 . 5.500 5.211 4.914 5.511 0.011 6 0 "[ . 1 . 2]" 1
25 1 7 ILE H 1 7 ILE MD 3.650 . 5.500 3.607 2.002 4.246 . 0 0 "[ . 1 . 2]" 1
26 1 7 ILE H 1 7 ILE QG 2.430 . 3.060 2.689 2.441 3.159 0.099 6 0 "[ . 1 . 2]" 1
27 1 7 ILE H 1 7 ILE MG 3.650 . 5.500 3.836 3.774 3.911 . 0 0 "[ . 1 . 2]" 1
28 1 7 ILE H 1 59 PRO QD 3.650 . 5.500 3.344 2.758 3.779 . 0 0 "[ . 1 . 2]" 1
29 1 7 ILE HA 1 7 ILE MD 3.650 . 5.500 3.043 2.045 3.902 . 0 0 "[ . 1 . 2]" 1
30 1 7 ILE HA 1 8 GLU H 2.100 . 2.400 2.168 2.056 2.360 . 0 0 "[ . 1 . 2]" 1
31 1 7 ILE HA 1 8 GLU QB 3.570 . 5.340 4.439 4.195 4.650 . 0 0 "[ . 1 . 2]" 1
32 1 7 ILE HB 1 59 PRO HG3 3.650 . 5.500 4.586 2.824 5.514 0.014 18 0 "[ . 1 . 2]" 1
33 1 7 ILE MD 1 8 GLU H 3.650 . 5.500 4.496 3.629 5.273 . 0 0 "[ . 1 . 2]" 1
34 1 7 ILE MD 1 59 PRO HB2 3.650 . 5.500 4.127 3.667 4.762 . 0 0 "[ . 1 . 2]" 1
35 1 7 ILE MD 1 59 PRO HB3 3.650 . 5.500 2.762 2.267 3.678 . 0 0 "[ . 1 . 2]" 1
36 1 7 ILE MD 1 59 PRO HG3 3.650 . 5.500 2.708 1.935 3.823 . 0 0 "[ . 1 . 2]" 1
37 1 7 ILE QG 1 8 GLU H 3.425 . 5.050 4.426 4.086 4.950 . 0 0 "[ . 1 . 2]" 1
38 1 7 ILE QG 1 59 PRO QD 3.570 . 5.340 3.111 2.261 5.013 . 0 0 "[ . 1 . 2]" 1
39 1 7 ILE QG 1 59 PRO HG2 3.570 . 5.340 4.040 2.884 5.372 0.032 8 0 "[ . 1 . 2]" 1
40 1 7 ILE MG 1 8 GLU H 2.740 . 3.680 2.670 2.231 3.083 . 0 0 "[ . 1 . 2]" 1
41 1 7 ILE MG 1 8 GLU HA 3.650 . 5.500 3.821 3.642 4.002 . 0 0 "[ . 1 . 2]" 1
42 1 7 ILE MG 1 8 GLU QG 3.570 . 5.340 4.453 3.806 4.990 . 0 0 "[ . 1 . 2]" 1
43 1 7 ILE MG 1 9 LEU H 3.650 . 5.500 4.084 3.798 4.388 . 0 0 "[ . 1 . 2]" 1
44 1 7 ILE MG 1 9 LEU QB 3.570 . 5.340 4.057 3.264 4.559 . 0 0 "[ . 1 . 2]" 1
45 1 7 ILE MG 1 59 PRO HB3 3.650 . 5.500 5.130 3.781 5.512 0.012 6 0 "[ . 1 . 2]" 1
46 1 8 GLU H 1 8 GLU QG 2.400 . 3.000 2.697 1.805 3.109 0.109 2 0 "[ . 1 . 2]" 1
47 1 8 GLU HA 1 9 LEU H 2.100 . 2.400 2.092 2.029 2.180 . 0 0 "[ . 1 . 2]" 1
48 1 8 GLU HA 1 9 LEU QB 3.570 . 5.340 4.350 4.239 4.427 . 0 0 "[ . 1 . 2]" 1
49 1 8 GLU HA 1 55 VAL MG1 3.650 . 5.500 4.140 3.720 4.663 . 0 0 "[ . 1 . 2]" 1
50 1 8 GLU HA 1 56 GLU HA 3.650 . 5.500 2.360 2.038 2.958 . 0 0 "[ . 1 . 2]" 1
51 1 8 GLU HA 1 56 GLU QB 3.570 . 5.340 3.994 3.170 4.501 . 0 0 "[ . 1 . 2]" 1
52 1 9 LEU H 1 9 LEU QB 2.325 . 2.850 2.617 2.538 2.723 . 0 0 "[ . 1 . 2]" 1
53 1 9 LEU H 1 9 LEU QD 3.650 . 5.500 3.461 2.577 3.772 . 0 0 "[ . 1 . 2]" 1
54 1 9 LEU H 1 55 VAL H 2.605 . 3.410 3.151 2.858 3.425 0.015 7 0 "[ . 1 . 2]" 1
55 1 9 LEU H 1 55 VAL MG1 2.465 . 3.130 2.763 2.541 3.040 . 0 0 "[ . 1 . 2]" 1
56 1 9 LEU H 1 55 VAL MG2 3.650 . 5.500 4.490 4.332 4.867 . 0 0 "[ . 1 . 2]" 1
57 1 9 LEU HA 1 9 LEU QD 3.650 . 5.500 2.102 2.026 2.192 . 0 0 "[ . 1 . 2]" 1
58 1 9 LEU HA 1 10 GLU H 2.100 . 2.400 2.386 2.312 2.431 0.031 3 0 "[ . 1 . 2]" 1
59 1 9 LEU HA 1 10 GLU QB 3.570 . 5.340 4.291 3.752 4.558 . 0 0 "[ . 1 . 2]" 1
60 1 9 LEU QB 1 27 GLU H 3.435 . 5.070 4.544 3.824 5.079 0.009 14 0 "[ . 1 . 2]" 1
61 1 9 LEU QB 1 27 GLU QG 3.280 . 4.760 4.316 3.693 4.835 0.075 6 0 "[ . 1 . 2]" 1
62 1 9 LEU QB 1 57 MET HG2 3.570 . 5.340 3.668 3.088 4.692 . 0 0 "[ . 1 . 2]" 1
63 1 9 LEU QB 1 57 MET HG3 3.570 . 5.340 4.074 3.318 4.563 . 0 0 "[ . 1 . 2]" 1
64 1 9 LEU QD 1 10 GLU H 3.650 . 5.500 3.357 3.041 3.601 . 0 0 "[ . 1 . 2]" 1
65 1 9 LEU QD 1 27 GLU HG2 3.650 . 5.500 4.743 3.908 5.377 . 0 0 "[ . 1 . 2]" 1
66 1 9 LEU QD 1 27 GLU HG3 3.650 . 5.500 5.018 3.900 5.543 0.043 14 0 "[ . 1 . 2]" 1
67 1 9 LEU HG 1 10 GLU H 3.650 . 5.500 4.942 4.697 5.114 . 0 0 "[ . 1 . 2]" 1
68 1 9 LEU HG 1 57 MET HB2 3.650 . 5.500 5.519 5.102 5.593 0.093 14 0 "[ . 1 . 2]" 1
69 1 9 LEU HG 1 57 MET HG2 3.650 . 5.500 3.907 3.104 5.513 0.013 4 0 "[ . 1 . 2]" 1
70 1 9 LEU HG 1 57 MET HG3 3.650 . 5.500 3.461 3.152 4.284 . 0 0 "[ . 1 . 2]" 1
71 1 9 LEU HG 1 62 LEU QD 3.650 . 5.500 3.940 3.079 4.762 . 0 0 "[ . 1 . 2]" 1
72 1 10 GLU H 1 10 GLU HG2 3.650 . 5.500 3.872 3.224 4.661 . 0 0 "[ . 1 . 2]" 1
73 1 10 GLU H 1 10 GLU HG3 3.650 . 5.500 3.492 2.053 4.683 . 0 0 "[ . 1 . 2]" 1
74 1 10 GLU H 1 27 GLU QG 3.570 . 5.340 3.601 2.670 4.555 . 0 0 "[ . 1 . 2]" 1
75 1 10 GLU H 1 55 VAL MG1 3.650 . 5.500 4.032 3.821 4.286 . 0 0 "[ . 1 . 2]" 1
76 1 10 GLU HA 1 11 GLY H 2.100 . 2.400 2.246 2.032 2.406 0.006 6 0 "[ . 1 . 2]" 1
77 1 10 GLU HA 1 11 GLY HA3 3.650 . 5.500 4.288 4.135 4.381 . 0 0 "[ . 1 . 2]" 1
78 1 10 GLU HA 1 54 THR HA 3.650 . 5.500 2.525 2.080 3.102 . 0 0 "[ . 1 . 2]" 1
79 1 10 GLU HA 1 55 VAL H 3.650 . 5.500 2.969 2.490 3.584 . 0 0 "[ . 1 . 2]" 1
80 1 10 GLU HA 1 55 VAL MG1 3.650 . 5.500 3.214 2.644 3.701 . 0 0 "[ . 1 . 2]" 1
81 1 10 GLU HB2 1 11 GLY H 3.650 . 5.500 3.874 2.514 4.349 . 0 0 "[ . 1 . 2]" 1
82 1 10 GLU HB2 1 11 GLY HA2 3.650 . 5.500 4.723 4.137 5.549 0.049 18 0 "[ . 1 . 2]" 1
83 1 10 GLU HB3 1 11 GLY H 3.650 . 5.500 2.960 2.224 3.965 . 0 0 "[ . 1 . 2]" 1
84 1 10 GLU HB3 1 11 GLY HA2 3.650 . 5.500 4.244 3.906 5.543 0.043 13 0 "[ . 1 . 2]" 1
85 1 10 GLU QG 1 55 VAL H 3.320 . 4.840 4.206 3.210 5.078 0.238 7 0 "[ . 1 . 2]" 1
86 1 10 GLU HG2 1 11 GLY H 3.650 . 5.500 4.196 3.296 5.007 . 0 0 "[ . 1 . 2]" 1
87 1 10 GLU HG3 1 11 GLY H 3.650 . 5.500 4.722 2.221 5.380 . 0 0 "[ . 1 . 2]" 1
88 1 11 GLY H 1 11 GLY HA3 2.285 . 2.770 2.667 2.504 2.785 0.015 18 0 "[ . 1 . 2]" 1
89 1 11 GLY H 1 12 THR H 3.195 . 4.590 4.311 4.254 4.379 . 0 0 "[ . 1 . 2]" 1
90 1 11 GLY H 1 53 VAL MG2 3.650 . 5.500 3.319 3.030 3.602 . 0 0 "[ . 1 . 2]" 1
91 1 11 GLY HA2 1 12 THR H 2.325 . 2.850 2.434 2.292 2.578 . 0 0 "[ . 1 . 2]" 1
92 1 11 GLY HA2 1 12 THR HA 3.650 . 5.500 4.365 4.284 4.445 . 0 0 "[ . 1 . 2]" 1
93 1 11 GLY HA2 1 27 GLU HA 3.650 . 5.500 4.390 3.786 5.153 . 0 0 "[ . 1 . 2]" 1
94 1 11 GLY HA3 1 12 THR H 2.160 . 2.520 2.547 2.458 2.589 0.069 8 0 "[ . 1 . 2]" 1
95 1 11 GLY HA3 1 26 LEU HA 3.650 . 5.500 2.538 2.095 3.040 . 0 0 "[ . 1 . 2]" 1
96 1 11 GLY HA3 1 27 GLU H 3.650 . 5.500 4.091 3.397 4.998 . 0 0 "[ . 1 . 2]" 1
97 1 11 GLY HA3 1 53 VAL MG2 3.650 . 5.500 3.959 3.470 4.923 . 0 0 "[ . 1 . 2]" 1
98 1 12 THR H 1 12 THR HB 2.495 . 3.190 2.612 2.443 2.677 . 0 0 "[ . 1 . 2]" 1
99 1 12 THR H 1 12 THR MG 3.650 . 5.500 3.824 3.724 3.875 . 0 0 "[ . 1 . 2]" 1
100 1 12 THR H 1 13 VAL H 3.615 . 5.430 4.319 4.223 4.445 . 0 0 "[ . 1 . 2]" 1
101 1 12 THR HA 1 13 VAL HB 3.650 . 5.500 4.719 4.589 4.925 . 0 0 "[ . 1 . 2]" 1
102 1 12 THR HA 1 13 VAL MG1 3.650 . 5.500 3.591 3.395 3.722 . 0 0 "[ . 1 . 2]" 1
103 1 12 THR HA 1 24 VAL HA 3.650 . 5.500 5.380 5.042 5.562 0.062 6 0 "[ . 1 . 2]" 1
104 1 12 THR HA 1 51 ASP H 3.650 . 5.500 5.299 4.838 5.526 0.026 5 0 "[ . 1 . 2]" 1
105 1 12 THR HA 1 53 VAL H 3.650 . 5.500 3.467 2.963 3.927 . 0 0 "[ . 1 . 2]" 1
106 1 12 THR HA 1 53 VAL MG2 3.650 . 5.500 3.897 3.216 4.434 . 0 0 "[ . 1 . 2]" 1
107 1 12 THR HB 1 13 VAL H 3.650 . 5.500 4.034 3.905 4.138 . 0 0 "[ . 1 . 2]" 1
108 1 12 THR HB 1 24 VAL HA 3.650 . 5.500 5.514 5.206 5.588 0.088 20 0 "[ . 1 . 2]" 1
109 1 12 THR HB 1 25 GLU H 3.650 . 5.500 3.966 3.791 4.131 . 0 0 "[ . 1 . 2]" 1
110 1 12 THR HB 1 25 GLU HB2 3.650 . 5.500 4.452 3.621 5.555 0.055 3 0 "[ . 1 . 2]" 1
111 1 12 THR HB 1 25 GLU HB3 3.650 . 5.500 4.233 3.025 4.960 . 0 0 "[ . 1 . 2]" 1
112 1 12 THR MG 1 13 VAL H 2.220 . 2.640 2.666 2.635 2.688 0.048 8 0 "[ . 1 . 2]" 1
113 1 12 THR MG 1 13 VAL HB 3.650 . 5.500 5.102 5.041 5.164 . 0 0 "[ . 1 . 2]" 1
114 1 12 THR MG 1 13 VAL MG1 3.650 . 5.500 3.681 3.568 3.757 . 0 0 "[ . 1 . 2]" 1
115 1 12 THR MG 1 50 GLY H 3.650 . 5.500 3.249 2.833 3.756 . 0 0 "[ . 1 . 2]" 1
116 1 12 THR MG 1 50 GLY HA2 3.650 . 5.500 2.840 2.235 3.124 . 0 0 "[ . 1 . 2]" 1
117 1 12 THR MG 1 50 GLY QA 3.570 . 5.340 2.794 2.212 3.064 . 0 0 "[ . 1 . 2]" 1
118 1 12 THR MG 1 50 GLY HA3 3.650 . 5.500 4.156 3.542 4.461 . 0 0 "[ . 1 . 2]" 1
119 1 13 VAL H 1 13 VAL HB 2.465 . 3.130 3.018 2.922 3.143 0.013 3 0 "[ . 1 . 2]" 1
120 1 13 VAL H 1 13 VAL MG1 2.250 . 2.700 1.901 1.795 1.962 0.005 19 0 "[ . 1 . 2]" 1
121 1 13 VAL H 1 13 VAL MG2 3.650 . 5.500 3.814 3.756 3.847 . 0 0 "[ . 1 . 2]" 1
122 1 13 VAL H 1 14 LEU H 3.200 . 4.600 4.486 4.410 4.545 . 0 0 "[ . 1 . 2]" 1
123 1 13 VAL H 1 50 GLY QA 3.570 . 5.340 4.610 4.401 4.785 . 0 0 "[ . 1 . 2]" 1
124 1 13 VAL H 1 51 ASP H 3.210 . 4.620 3.901 3.707 4.113 . 0 0 "[ . 1 . 2]" 1
125 1 13 VAL H 1 53 VAL MG2 3.650 . 5.500 3.780 3.176 4.467 . 0 0 "[ . 1 . 2]" 1
126 1 13 VAL HA 1 14 LEU H 2.105 . 2.410 2.080 2.008 2.128 . 0 0 "[ . 1 . 2]" 1
127 1 13 VAL HA 1 14 LEU QB 3.570 . 5.340 4.271 4.195 4.382 . 0 0 "[ . 1 . 2]" 1
128 1 13 VAL HA 1 14 LEU HG 3.650 . 5.500 4.522 3.546 5.340 . 0 0 "[ . 1 . 2]" 1
129 1 13 VAL HA 1 15 ASP H 3.650 . 5.500 3.877 3.761 4.090 . 0 0 "[ . 1 . 2]" 1
130 1 13 VAL HA 1 24 VAL HA 3.650 . 5.500 1.820 1.770 1.873 0.030 13 0 "[ . 1 . 2]" 1
131 1 13 VAL HA 1 25 GLU H 2.690 . 3.580 2.868 2.655 3.238 . 0 0 "[ . 1 . 2]" 1
132 1 13 VAL HA 1 25 GLU QB 3.570 . 5.340 4.473 4.045 4.809 . 0 0 "[ . 1 . 2]" 1
133 1 13 VAL HB 1 14 LEU H 3.005 . 4.210 3.975 3.843 4.059 . 0 0 "[ . 1 . 2]" 1
134 1 13 VAL HB 1 47 ILE MG 3.650 . 5.500 3.513 3.190 4.043 . 0 0 "[ . 1 . 2]" 1
135 1 13 VAL HB 1 49 PRO HA 3.650 . 5.500 5.021 4.576 5.503 0.003 10 0 "[ . 1 . 2]" 1
136 1 13 VAL HB 1 50 GLY H 3.650 . 5.500 5.282 5.096 5.487 . 0 0 "[ . 1 . 2]" 1
137 1 13 VAL HB 1 51 ASP H 3.650 . 5.500 5.494 5.275 5.584 0.084 8 0 "[ . 1 . 2]" 1
138 1 13 VAL MG1 1 14 LEU H 3.650 . 5.500 4.079 4.012 4.184 . 0 0 "[ . 1 . 2]" 1
139 1 13 VAL MG1 1 15 ASP H 3.650 . 5.500 4.723 4.622 4.913 . 0 0 "[ . 1 . 2]" 1
140 1 13 VAL MG1 1 22 PHE HB2 3.650 . 5.500 4.793 4.559 5.166 . 0 0 "[ . 1 . 2]" 1
141 1 13 VAL MG1 1 22 PHE HB3 3.650 . 5.500 3.926 3.767 4.154 . 0 0 "[ . 1 . 2]" 1
142 1 13 VAL MG1 1 23 LYS H 3.650 . 5.500 5.511 5.457 5.534 0.034 8 0 "[ . 1 . 2]" 1
143 1 13 VAL MG1 1 24 VAL HA 3.650 . 5.500 4.346 4.169 4.486 . 0 0 "[ . 1 . 2]" 1
144 1 13 VAL MG1 1 24 VAL HB 3.650 . 5.500 5.584 5.569 5.616 0.116 8 0 "[ . 1 . 2]" 1
145 1 13 VAL MG1 1 25 GLU H 3.650 . 5.500 5.244 5.056 5.421 . 0 0 "[ . 1 . 2]" 1
146 1 13 VAL MG1 1 47 ILE MG 3.650 . 5.500 1.892 1.781 2.196 0.019 17 0 "[ . 1 . 2]" 1
147 1 13 VAL MG1 1 50 GLY H 3.650 . 5.500 2.771 2.439 3.028 . 0 0 "[ . 1 . 2]" 1
148 1 13 VAL MG1 1 51 ASP H 3.650 . 5.500 2.609 2.343 2.834 . 0 0 "[ . 1 . 2]" 1
149 1 13 VAL MG2 1 14 LEU H 2.165 . 2.530 2.542 2.484 2.579 0.049 14 0 "[ . 1 . 2]" 1
150 1 13 VAL MG2 1 14 LEU HA 3.650 . 5.500 3.721 3.575 3.868 . 0 0 "[ . 1 . 2]" 1
151 1 13 VAL MG2 1 14 LEU HG 3.650 . 5.500 5.070 4.527 5.542 0.042 13 0 "[ . 1 . 2]" 1
152 1 13 VAL MG2 1 15 ASP H 2.125 . 2.450 2.484 2.461 2.508 0.058 10 0 "[ . 1 . 2]" 1
153 1 13 VAL MG2 1 15 ASP HA 3.650 . 5.500 3.987 3.034 4.206 . 0 0 "[ . 1 . 2]" 1
154 1 13 VAL MG2 1 15 ASP QB 3.570 . 5.340 4.154 3.899 4.458 . 0 0 "[ . 1 . 2]" 1
155 1 13 VAL MG2 1 22 PHE HA 3.650 . 5.500 3.766 3.615 3.986 . 0 0 "[ . 1 . 2]" 1
156 1 13 VAL MG2 1 22 PHE HB2 3.650 . 5.500 3.479 3.242 3.831 . 0 0 "[ . 1 . 2]" 1
157 1 13 VAL MG2 1 22 PHE HB3 3.650 . 5.500 2.128 1.961 2.372 . 0 0 "[ . 1 . 2]" 1
158 1 13 VAL MG2 1 23 LYS H 3.650 . 5.500 2.920 2.843 2.976 . 0 0 "[ . 1 . 2]" 1
159 1 13 VAL MG2 1 25 GLU H 3.650 . 5.500 4.722 4.456 5.198 . 0 0 "[ . 1 . 2]" 1
160 1 13 VAL MG2 1 47 ILE MG 3.650 . 5.500 2.857 2.303 3.649 . 0 0 "[ . 1 . 2]" 1
161 1 13 VAL MG2 1 49 PRO HA 3.650 . 5.500 2.757 2.123 3.255 . 0 0 "[ . 1 . 2]" 1
162 1 13 VAL MG2 1 49 PRO QB 3.570 . 5.340 3.901 3.235 4.414 . 0 0 "[ . 1 . 2]" 1
163 1 13 VAL MG2 1 49 PRO HG2 3.650 . 5.500 4.991 4.344 5.556 0.056 8 0 "[ . 1 . 2]" 1
164 1 13 VAL MG2 1 50 GLY H 3.650 . 5.500 3.891 3.545 4.214 . 0 0 "[ . 1 . 2]" 1
165 1 13 VAL MG2 1 51 ASP H 3.650 . 5.500 4.615 4.313 4.944 . 0 0 "[ . 1 . 2]" 1
166 1 14 LEU H 1 14 LEU QB 2.315 . 2.830 2.539 2.425 2.918 0.088 18 0 "[ . 1 . 2]" 1
167 1 14 LEU H 1 14 LEU HG 3.650 . 5.500 3.330 2.681 4.169 . 0 0 "[ . 1 . 2]" 1
168 1 14 LEU H 1 15 ASP H 2.115 . 2.430 2.171 2.105 2.390 . 0 0 "[ . 1 . 2]" 1
169 1 14 LEU H 1 15 ASP HA 3.520 . 5.240 4.838 4.728 4.883 . 0 0 "[ . 1 . 2]" 1
170 1 14 LEU QB 1 15 ASP QB 3.490 . 5.180 3.895 3.132 4.876 . 0 0 "[ . 1 . 2]" 1
171 1 14 LEU HB2 1 15 ASP H 3.650 . 5.500 3.095 2.661 4.093 . 0 0 "[ . 1 . 2]" 1
172 1 14 LEU HB3 1 15 ASP H 3.650 . 5.500 3.858 3.657 4.274 . 0 0 "[ . 1 . 2]" 1
173 1 15 ASP H 1 15 ASP QB 2.360 . 2.920 2.694 2.550 3.022 0.102 10 0 "[ . 1 . 2]" 1
174 1 15 ASP HA 1 16 THR H 2.100 . 2.400 2.258 2.185 2.419 0.019 8 0 "[ . 1 . 2]" 1
175 1 15 ASP HA 1 16 THR MG 3.650 . 5.500 3.540 3.055 3.716 . 0 0 "[ . 1 . 2]" 1
176 1 15 ASP HA 1 49 PRO QB 3.570 . 5.340 3.669 3.070 4.096 . 0 0 "[ . 1 . 2]" 1
177 1 15 ASP HA 1 49 PRO HG2 3.650 . 5.500 3.930 3.706 4.250 . 0 0 "[ . 1 . 2]" 1
178 1 15 ASP HA 1 49 PRO HG3 3.650 . 5.500 2.971 2.641 3.317 . 0 0 "[ . 1 . 2]" 1
179 1 15 ASP QB 1 16 THR H 2.400 . 3.000 2.710 2.413 3.183 0.183 6 0 "[ . 1 . 2]" 1
180 1 15 ASP QB 1 17 LEU QD 3.570 . 5.340 2.914 2.228 3.853 . 0 0 "[ . 1 . 2]" 1
181 1 15 ASP QB 1 17 LEU HG 3.570 . 5.340 4.042 2.960 5.345 0.005 8 0 "[ . 1 . 2]" 1
182 1 15 ASP QB 1 23 LYS H 3.570 . 5.340 3.478 2.593 4.903 . 0 0 "[ . 1 . 2]" 1
183 1 15 ASP HB2 1 17 LEU QD 3.650 . 5.500 3.385 2.522 4.764 . 0 0 "[ . 1 . 2]" 1
184 1 15 ASP HB2 1 49 PRO HG3 3.650 . 5.500 5.418 3.919 5.631 0.131 2 0 "[ . 1 . 2]" 1
185 1 15 ASP HB3 1 17 LEU QD 3.650 . 5.500 3.284 2.481 4.919 . 0 0 "[ . 1 . 2]" 1
186 1 15 ASP HB3 1 49 PRO HG3 3.650 . 5.500 5.294 4.886 5.572 0.072 17 0 "[ . 1 . 2]" 1
187 1 16 THR H 1 16 THR MG . . 2.690 2.674 2.437 2.771 0.081 6 0 "[ . 1 . 2]" 1
188 1 16 THR H 1 17 LEU H 3.650 . 5.500 4.425 4.282 4.519 . 0 0 "[ . 1 . 2]" 1
189 1 16 THR H 1 17 LEU QD 3.650 . 5.500 4.002 3.660 4.449 . 0 0 "[ . 1 . 2]" 1
190 1 16 THR HA 1 17 LEU H 2.100 . 2.400 2.234 2.146 2.290 . 0 0 "[ . 1 . 2]" 1
191 1 16 THR HA 1 17 LEU QB 3.570 . 5.340 4.453 4.344 4.604 . 0 0 "[ . 1 . 2]" 1
192 1 16 THR HA 1 17 LEU QD 3.650 . 5.500 4.031 3.615 4.298 . 0 0 "[ . 1 . 2]" 1
193 1 16 THR HA 1 22 PHE HA 3.650 . 5.500 3.003 2.221 3.251 . 0 0 "[ . 1 . 2]" 1
194 1 16 THR HA 1 22 PHE QB 3.570 . 5.340 3.857 3.576 4.107 . 0 0 "[ . 1 . 2]" 1
195 1 16 THR HA 1 23 LYS H 3.650 . 5.500 3.563 3.010 3.918 . 0 0 "[ . 1 . 2]" 1
196 1 16 THR HB 1 17 LEU H 3.650 . 5.500 3.404 3.175 3.626 . 0 0 "[ . 1 . 2]" 1
197 1 16 THR HB 1 17 LEU HA 3.650 . 5.500 4.654 4.483 5.089 . 0 0 "[ . 1 . 2]" 1
198 1 16 THR MG 1 17 LEU H 3.650 . 5.500 3.970 3.795 4.074 . 0 0 "[ . 1 . 2]" 1
199 1 16 THR MG 1 48 LEU HA 3.650 . 5.500 3.510 2.697 4.550 . 0 0 "[ . 1 . 2]" 1
200 1 16 THR MG 1 49 PRO HD2 3.650 . 5.500 3.367 2.954 5.506 0.006 8 0 "[ . 1 . 2]" 1
201 1 16 THR MG 1 49 PRO QD 3.575 . 5.350 2.208 1.959 3.899 . 0 0 "[ . 1 . 2]" 1
202 1 16 THR MG 1 49 PRO HD3 3.650 . 5.500 2.242 1.970 3.988 . 0 0 "[ . 1 . 2]" 1
203 1 16 THR MG 1 49 PRO HG2 3.650 . 5.500 3.085 2.380 5.384 . 0 0 "[ . 1 . 2]" 1
204 1 16 THR MG 1 49 PRO HG3 3.650 . 5.500 2.372 2.055 4.142 . 0 0 "[ . 1 . 2]" 1
205 1 17 LEU H 1 17 LEU QD 3.650 . 5.500 3.251 2.899 3.391 . 0 0 "[ . 1 . 2]" 1
206 1 17 LEU H 1 17 LEU HG 3.650 . 5.500 2.913 2.477 3.082 . 0 0 "[ . 1 . 2]" 1
207 1 17 LEU H 1 18 PRO HD2 3.650 . 5.500 5.024 4.690 5.333 . 0 0 "[ . 1 . 2]" 1
208 1 17 LEU H 1 18 PRO QD 3.250 . 4.700 4.377 4.351 4.392 . 0 0 "[ . 1 . 2]" 1
209 1 17 LEU H 1 18 PRO HD3 3.650 . 5.500 4.868 4.658 5.171 . 0 0 "[ . 1 . 2]" 1
210 1 17 LEU H 1 22 PHE HA 2.295 . 2.790 2.269 2.062 2.387 . 0 0 "[ . 1 . 2]" 1
211 1 17 LEU H 1 22 PHE QB 3.570 . 5.340 4.164 3.908 4.525 . 0 0 "[ . 1 . 2]" 1
212 1 17 LEU HA 1 17 LEU QD 3.650 . 5.500 2.155 2.057 2.334 . 0 0 "[ . 1 . 2]" 1
213 1 17 LEU QB 1 18 PRO QB 3.470 . 5.140 4.461 4.150 4.692 . 0 0 "[ . 1 . 2]" 1
214 1 17 LEU QB 1 21 MET QB 3.165 . 4.530 1.841 1.749 1.913 0.051 17 0 "[ . 1 . 2]" 1
215 1 17 LEU QB 1 21 MET QG 3.165 . 4.530 3.252 2.833 3.562 . 0 0 "[ . 1 . 2]" 1
216 1 17 LEU QB 1 33 LEU MD2 3.570 . 5.340 4.302 4.083 4.533 . 0 0 "[ . 1 . 2]" 1
217 1 17 LEU HB2 1 18 PRO HD2 3.650 . 5.500 3.845 3.592 4.073 . 0 0 "[ . 1 . 2]" 1
218 1 17 LEU HB2 1 18 PRO HD3 3.650 . 5.500 4.567 4.244 4.911 . 0 0 "[ . 1 . 2]" 1
219 1 17 LEU HB3 1 18 PRO HD2 3.650 . 5.500 2.364 2.156 2.610 . 0 0 "[ . 1 . 2]" 1
220 1 17 LEU HB3 1 18 PRO HD3 3.650 . 5.500 3.444 3.056 3.790 . 0 0 "[ . 1 . 2]" 1
221 1 17 LEU QD 1 18 PRO HD2 3.650 . 5.500 3.070 2.658 3.502 . 0 0 "[ . 1 . 2]" 1
222 1 17 LEU QD 1 18 PRO HD3 3.650 . 5.500 3.394 2.986 3.841 . 0 0 "[ . 1 . 2]" 1
223 1 17 LEU QD 1 22 PHE HA 3.650 . 5.500 3.290 3.101 3.764 . 0 0 "[ . 1 . 2]" 1
224 1 17 LEU QD 1 23 LYS H 3.650 . 5.500 3.167 3.029 3.513 . 0 0 "[ . 1 . 2]" 1
225 1 17 LEU HG 1 21 MET QB 3.570 . 5.340 3.601 3.087 4.053 . 0 0 "[ . 1 . 2]" 1
226 1 17 LEU HG 1 21 MET HG2 3.650 . 5.500 5.345 4.955 5.594 0.094 8 0 "[ . 1 . 2]" 1
227 1 17 LEU HG 1 21 MET HG3 3.650 . 5.500 5.102 4.458 5.624 0.124 17 0 "[ . 1 . 2]" 1
228 1 17 LEU HG 1 22 PHE H 3.650 . 5.500 4.148 3.667 4.474 . 0 0 "[ . 1 . 2]" 1
229 1 17 LEU HG 1 22 PHE HA 3.650 . 5.500 2.541 2.289 3.084 . 0 0 "[ . 1 . 2]" 1
230 1 17 LEU HG 1 22 PHE QB 3.570 . 5.340 4.371 4.158 4.915 . 0 0 "[ . 1 . 2]" 1
231 1 17 LEU HG 1 23 LYS H 3.650 . 5.500 2.514 2.312 2.920 . 0 0 "[ . 1 . 2]" 1
232 1 17 LEU HG 1 23 LYS HA 3.650 . 5.500 3.771 3.661 3.948 . 0 0 "[ . 1 . 2]" 1
233 1 17 LEU HG 1 24 VAL H 3.650 . 5.500 5.586 5.559 5.631 0.131 8 0 "[ . 1 . 2]" 1
234 1 17 LEU HG 1 33 LEU HA 3.650 . 5.500 5.183 4.847 5.361 . 0 0 "[ . 1 . 2]" 1
235 1 17 LEU HG 1 33 LEU MD2 3.650 . 5.500 3.954 3.669 4.096 . 0 0 "[ . 1 . 2]" 1
236 1 17 LEU HG 1 34 ALA H 3.650 . 5.500 5.275 4.770 5.526 0.026 7 0 "[ . 1 . 2]" 1
237 1 18 PRO HA 1 20 ALA H 3.650 . 5.500 3.508 3.227 3.689 . 0 0 "[ . 1 . 2]" 1
238 1 18 PRO HA 1 20 ALA HA 3.650 . 5.500 5.372 5.041 5.549 0.049 1 0 "[ . 1 . 2]" 1
239 1 18 PRO QB 1 19 ASN H 2.415 . 3.030 2.915 2.856 2.960 . 0 0 "[ . 1 . 2]" 1
240 1 18 PRO QB 1 20 ALA H 3.550 . 5.300 4.720 4.520 4.896 . 0 0 "[ . 1 . 2]" 1
241 1 18 PRO HB2 1 19 ASN H 2.725 . 3.650 3.301 2.986 3.554 . 0 0 "[ . 1 . 2]" 1
242 1 18 PRO HB3 1 19 ASN H 2.725 . 3.650 3.344 3.062 3.659 0.009 20 0 "[ . 1 . 2]" 1
243 1 19 ASN H 1 20 ALA H 2.560 . 3.320 2.520 2.458 2.611 . 0 0 "[ . 1 . 2]" 1
244 1 19 ASN H 1 21 MET H 3.650 . 5.500 4.240 4.042 4.452 . 0 0 "[ . 1 . 2]" 1
245 1 19 ASN HA 1 20 ALA H 2.340 . 2.880 2.882 2.737 2.945 0.065 4 0 "[ . 1 . 2]" 1
246 1 19 ASN HA 1 20 ALA HA 3.650 . 5.500 4.780 4.614 4.901 . 0 0 "[ . 1 . 2]" 1
247 1 19 ASN HA 1 20 ALA MB 3.650 . 5.500 3.787 3.734 3.872 . 0 0 "[ . 1 . 2]" 1
248 1 19 ASN QB 1 21 MET H 2.870 . 3.940 3.864 3.646 3.971 0.031 12 0 "[ . 1 . 2]" 1
249 1 19 ASN QB 1 21 MET QG 3.280 . 4.760 4.607 2.720 4.830 0.070 7 0 "[ . 1 . 2]" 1
250 1 20 ALA H 1 20 ALA HA 2.100 . 2.400 2.266 2.226 2.334 . 0 0 "[ . 1 . 2]" 1
251 1 20 ALA H 1 21 MET H 2.315 . 2.830 2.510 2.449 2.603 . 0 0 "[ . 1 . 2]" 1
252 1 20 ALA H 1 21 MET QB 3.190 . 4.580 4.333 4.221 4.630 0.050 8 0 "[ . 1 . 2]" 1
253 1 20 ALA HA 1 21 MET H 2.470 . 3.140 2.886 2.759 3.083 . 0 0 "[ . 1 . 2]" 1
254 1 20 ALA HA 1 41 ARG HA 3.650 . 5.500 5.550 5.431 5.593 0.093 4 0 "[ . 1 . 2]" 1
255 1 20 ALA MB 1 21 MET H 3.650 . 5.500 3.627 3.481 3.685 . 0 0 "[ . 1 . 2]" 1
256 1 20 ALA MB 1 41 ARG HA 3.650 . 5.500 3.601 3.316 4.228 . 0 0 "[ . 1 . 2]" 1
257 1 20 ALA MB 1 41 ARG QB 3.570 . 5.340 3.196 2.455 4.018 . 0 0 "[ . 1 . 2]" 1
258 1 21 MET H 1 21 MET QB 2.100 . 2.400 2.302 2.162 2.417 0.017 8 0 "[ . 1 . 2]" 1
259 1 21 MET H 1 21 MET HG2 3.650 . 5.500 4.461 2.644 4.736 . 0 0 "[ . 1 . 2]" 1
260 1 21 MET H 1 21 MET HG3 3.650 . 5.500 4.408 3.990 4.608 . 0 0 "[ . 1 . 2]" 1
261 1 21 MET H 1 22 PHE H 3.200 . 4.600 4.438 4.364 4.525 . 0 0 "[ . 1 . 2]" 1
262 1 21 MET HA 1 35 HIS HA 3.650 . 5.500 2.254 2.027 2.719 . 0 0 "[ . 1 . 2]" 1
263 1 21 MET QB 1 22 PHE H 2.385 . 2.970 2.935 2.678 3.106 0.136 5 0 "[ . 1 . 2]" 1
264 1 21 MET QB 1 33 LEU HA 3.570 . 5.340 5.235 3.987 5.460 0.120 20 0 "[ . 1 . 2]" 1
265 1 21 MET QB 1 33 LEU MD2 3.570 . 5.340 4.424 3.509 4.825 . 0 0 "[ . 1 . 2]" 1
266 1 21 MET QG 1 33 LEU HA 3.570 . 5.340 4.395 3.399 5.444 0.104 8 0 "[ . 1 . 2]" 1
267 1 21 MET QG 1 33 LEU MD2 3.570 . 5.340 3.992 3.148 4.847 . 0 0 "[ . 1 . 2]" 1
268 1 21 MET QG 1 35 HIS HA 3.570 . 5.340 3.695 2.576 4.746 . 0 0 "[ . 1 . 2]" 1
269 1 21 MET QG 1 35 HIS QB 3.490 . 5.180 3.986 2.726 5.049 . 0 0 "[ . 1 . 2]" 1
270 1 22 PHE H 1 22 PHE QB 2.380 . 2.960 2.720 2.520 2.772 . 0 0 "[ . 1 . 2]" 1
271 1 22 PHE H 1 23 LYS HA 3.650 . 5.500 4.570 4.332 4.731 . 0 0 "[ . 1 . 2]" 1
272 1 22 PHE H 1 33 LEU MD2 3.650 . 5.500 4.919 4.598 5.116 . 0 0 "[ . 1 . 2]" 1
273 1 22 PHE H 1 35 HIS HA 3.650 . 5.500 3.443 3.221 3.760 . 0 0 "[ . 1 . 2]" 1
274 1 22 PHE HA 1 23 LYS H 2.100 . 2.400 2.243 2.161 2.354 . 0 0 "[ . 1 . 2]" 1
275 1 22 PHE QB 1 34 ALA H 3.400 . 5.000 3.922 3.653 4.295 . 0 0 "[ . 1 . 2]" 1
276 1 22 PHE QB 1 47 ILE QG 3.490 . 5.180 4.756 4.072 5.223 0.043 8 0 "[ . 1 . 2]" 1
277 1 22 PHE QB 1 47 ILE MG 3.570 . 5.340 3.719 2.935 4.894 . 0 0 "[ . 1 . 2]" 1
278 1 22 PHE HB2 1 23 LYS H 3.650 . 5.500 4.009 3.888 4.282 . 0 0 "[ . 1 . 2]" 1
279 1 22 PHE HB2 1 34 ALA MB 3.650 . 5.500 3.324 2.353 3.850 . 0 0 "[ . 1 . 2]" 1
280 1 22 PHE HB2 1 67 ILE MD 3.650 . 5.500 3.322 2.727 3.924 . 0 0 "[ . 1 . 2]" 1
281 1 22 PHE HB3 1 23 LYS H 3.650 . 5.500 2.846 2.663 3.224 . 0 0 "[ . 1 . 2]" 1
282 1 22 PHE HB3 1 34 ALA MB 3.650 . 5.500 4.448 3.434 5.014 . 0 0 "[ . 1 . 2]" 1
283 1 22 PHE HB3 1 67 ILE MD 3.650 . 5.500 4.491 3.718 4.962 . 0 0 "[ . 1 . 2]" 1
284 1 23 LYS H 1 33 LEU MD2 3.650 . 5.500 4.671 4.415 4.927 . 0 0 "[ . 1 . 2]" 1
285 1 23 LYS HA 1 24 VAL H 2.100 . 2.400 1.983 1.868 2.114 . 0 0 "[ . 1 . 2]" 1
286 1 23 LYS HA 1 24 VAL HA 3.650 . 5.500 4.319 4.238 4.393 . 0 0 "[ . 1 . 2]" 1
287 1 23 LYS HA 1 33 LEU HA 3.650 . 5.500 2.741 2.469 3.002 . 0 0 "[ . 1 . 2]" 1
288 1 23 LYS HA 1 33 LEU HB3 3.650 . 5.500 4.680 4.411 4.846 . 0 0 "[ . 1 . 2]" 1
289 1 23 LYS HA 1 33 LEU MD2 3.650 . 5.500 2.692 2.376 2.955 . 0 0 "[ . 1 . 2]" 1
290 1 24 VAL H 1 24 VAL HB 2.400 . 3.000 2.746 2.690 2.809 . 0 0 "[ . 1 . 2]" 1
291 1 24 VAL H 1 32 ILE HG13 3.650 . 5.500 2.939 2.686 3.133 . 0 0 "[ . 1 . 2]" 1
292 1 24 VAL H 1 33 LEU MD2 3.650 . 5.500 3.817 3.370 4.163 . 0 0 "[ . 1 . 2]" 1
293 1 24 VAL H 1 33 LEU HG 3.650 . 5.500 5.543 5.461 5.568 0.068 4 0 "[ . 1 . 2]" 1
294 1 24 VAL H 1 34 ALA H 2.745 . 3.690 3.727 3.689 3.765 0.075 8 0 "[ . 1 . 2]" 1
295 1 24 VAL HA 1 25 GLU H 2.100 . 2.400 2.213 2.132 2.357 . 0 0 "[ . 1 . 2]" 1
296 1 24 VAL HB 1 25 GLU H 3.650 . 5.500 3.896 3.755 4.033 . 0 0 "[ . 1 . 2]" 1
297 1 24 VAL HB 1 32 ILE MD 3.650 . 5.500 2.433 2.126 2.739 . 0 0 "[ . 1 . 2]" 1
298 1 24 VAL HB 1 32 ILE HG12 3.650 . 5.500 3.132 2.889 3.454 . 0 0 "[ . 1 . 2]" 1
299 1 24 VAL HB 1 32 ILE HG13 3.650 . 5.500 2.217 2.023 2.567 . 0 0 "[ . 1 . 2]" 1
300 1 25 GLU H 1 25 GLU QG 3.570 . 5.340 3.933 3.665 4.196 . 0 0 "[ . 1 . 2]" 1
301 1 25 GLU HA 1 26 LEU H 2.100 . 2.400 2.044 1.951 2.138 . 0 0 "[ . 1 . 2]" 1
302 1 25 GLU HA 1 31 GLU HA 3.650 . 5.500 2.226 1.861 2.798 . 0 0 "[ . 1 . 2]" 1
303 1 25 GLU HA 1 31 GLU HB2 3.650 . 5.500 4.216 3.535 4.927 . 0 0 "[ . 1 . 2]" 1
304 1 25 GLU HA 1 32 ILE MD 3.650 . 5.500 4.339 4.068 4.708 . 0 0 "[ . 1 . 2]" 1
305 1 25 GLU HA 1 32 ILE HG12 3.650 . 5.500 3.123 2.759 3.458 . 0 0 "[ . 1 . 2]" 1
306 1 25 GLU HA 1 32 ILE HG13 3.650 . 5.500 4.305 3.800 4.626 . 0 0 "[ . 1 . 2]" 1
307 1 25 GLU QB 1 32 ILE HG12 3.570 . 5.340 5.064 4.586 5.324 . 0 0 "[ . 1 . 2]" 1
308 1 25 GLU QG 1 26 LEU H 2.630 . 3.460 3.287 2.796 3.541 0.081 5 0 "[ . 1 . 2]" 1
309 1 25 GLU QG 1 29 GLY QA 3.165 . 4.530 3.455 2.455 3.889 . 0 0 "[ . 1 . 2]" 1
310 1 25 GLU QG 1 30 HIS H 3.020 . 4.240 4.183 3.518 4.375 0.135 15 0 "[ . 1 . 2]" 1
311 1 25 GLU QG 1 30 HIS HB3 3.570 . 5.340 5.042 4.495 5.406 0.066 3 0 "[ . 1 . 2]" 1
312 1 25 GLU QG 1 31 GLU HA 3.570 . 5.340 2.678 2.041 4.276 . 0 0 "[ . 1 . 2]" 1
313 1 25 GLU QG 1 32 ILE HG12 3.570 . 5.340 5.066 4.730 5.432 0.092 2 0 "[ . 1 . 2]" 1
314 1 26 LEU H 1 26 LEU HB2 2.185 . 2.570 2.446 2.384 2.561 . 0 0 "[ . 1 . 2]" 1
315 1 26 LEU H 1 30 HIS H 3.065 . 4.330 3.500 3.179 3.906 . 0 0 "[ . 1 . 2]" 1
316 1 26 LEU H 1 30 HIS HB3 2.890 . 3.980 3.524 3.082 3.944 . 0 0 "[ . 1 . 2]" 1
317 1 26 LEU H 1 32 ILE MD 3.650 . 5.500 3.878 3.768 4.023 . 0 0 "[ . 1 . 2]" 1
318 1 26 LEU H 1 32 ILE HG12 2.420 . 3.040 3.099 3.076 3.140 0.100 4 0 "[ . 1 . 2]" 1
319 1 26 LEU H 1 32 ILE MG 3.650 . 5.500 3.434 3.084 3.723 . 0 0 "[ . 1 . 2]" 1
320 1 26 LEU HA 1 27 GLU H 2.220 . 2.640 2.345 2.140 2.525 . 0 0 "[ . 1 . 2]" 1
321 1 26 LEU HA 1 27 GLU QG 3.570 . 5.340 3.895 3.441 5.037 . 0 0 "[ . 1 . 2]" 1
322 1 26 LEU HA 1 32 ILE MD 3.650 . 5.500 3.839 3.503 4.349 . 0 0 "[ . 1 . 2]" 1
323 1 26 LEU HA 1 32 ILE HG12 3.650 . 5.500 4.508 4.336 4.781 . 0 0 "[ . 1 . 2]" 1
324 1 26 LEU HB2 1 27 GLU H 3.650 . 5.500 3.678 3.409 3.866 . 0 0 "[ . 1 . 2]" 1
325 1 26 LEU HB2 1 28 ASN H 3.650 . 5.500 2.924 2.778 3.267 . 0 0 "[ . 1 . 2]" 1
326 1 26 LEU HB2 1 30 HIS H 2.440 . 3.080 2.617 2.252 3.082 0.002 2 0 "[ . 1 . 2]" 1
327 1 26 LEU HB2 1 30 HIS HB2 3.650 . 5.500 3.461 2.681 3.930 . 0 0 "[ . 1 . 2]" 1
328 1 26 LEU HB2 1 30 HIS HB3 3.650 . 5.500 2.696 2.197 3.280 . 0 0 "[ . 1 . 2]" 1
329 1 26 LEU HB2 1 32 ILE MD 3.650 . 5.500 4.427 4.197 4.712 . 0 0 "[ . 1 . 2]" 1
330 1 26 LEU HB2 1 32 ILE HG12 3.650 . 5.500 4.609 4.209 4.765 . 0 0 "[ . 1 . 2]" 1
331 1 26 LEU HB3 1 27 GLU H 2.265 . 2.730 2.427 2.046 2.763 0.033 9 0 "[ . 1 . 2]" 1
332 1 26 LEU HB3 1 27 GLU QG 3.570 . 5.340 3.954 3.529 4.683 . 0 0 "[ . 1 . 2]" 1
333 1 26 LEU HB3 1 28 ASN H 2.260 . 2.720 2.340 2.064 2.558 . 0 0 "[ . 1 . 2]" 1
334 1 26 LEU HB3 1 30 HIS HB2 3.650 . 5.500 4.806 3.956 5.333 . 0 0 "[ . 1 . 2]" 1
335 1 26 LEU HB3 1 30 HIS HB3 3.650 . 5.500 4.273 3.702 4.851 . 0 0 "[ . 1 . 2]" 1
336 1 26 LEU HB3 1 32 ILE MD 3.650 . 5.500 4.560 4.440 4.802 . 0 0 "[ . 1 . 2]" 1
337 1 26 LEU HB3 1 32 ILE HG12 3.650 . 5.500 5.452 5.181 5.511 0.011 13 0 "[ . 1 . 2]" 1
338 1 27 GLU H 1 27 GLU HA 2.350 . 2.900 2.803 2.750 2.847 . 0 0 "[ . 1 . 2]" 1
339 1 27 GLU H 1 27 GLU QB 2.305 . 2.810 2.680 2.542 2.837 0.027 12 0 "[ . 1 . 2]" 1
340 1 27 GLU H 1 27 GLU QG 2.260 . 2.720 2.056 1.759 2.835 0.115 15 0 "[ . 1 . 2]" 1
341 1 27 GLU H 1 28 ASN H 2.300 . 2.800 2.562 2.159 2.791 . 0 0 "[ . 1 . 2]" 1
342 1 27 GLU HA 1 28 ASN H 2.650 . 3.500 3.336 3.162 3.462 . 0 0 "[ . 1 . 2]" 1
343 1 27 GLU QG 1 28 ASN H 3.570 . 5.340 3.701 2.526 4.430 . 0 0 "[ . 1 . 2]" 1
344 1 28 ASN H 1 28 ASN HB2 2.365 . 2.930 2.575 2.396 2.846 . 0 0 "[ . 1 . 2]" 1
345 1 28 ASN H 1 28 ASN QB 2.165 . 2.530 2.222 2.154 2.331 . 0 0 "[ . 1 . 2]" 1
346 1 28 ASN H 1 28 ASN HB3 2.365 . 2.930 2.470 2.250 2.760 . 0 0 "[ . 1 . 2]" 1
347 1 29 GLY H 1 30 HIS H 3.025 . 4.250 2.401 2.235 2.602 . 0 0 "[ . 1 . 2]" 1
348 1 29 GLY H 1 30 HIS HB2 3.650 . 5.500 4.625 4.249 4.935 . 0 0 "[ . 1 . 2]" 1
349 1 29 GLY H 1 30 HIS HB3 3.650 . 5.500 4.900 4.653 5.208 . 0 0 "[ . 1 . 2]" 1
350 1 29 GLY QA 1 30 HIS H 2.420 . 3.040 2.865 2.786 2.938 . 0 0 "[ . 1 . 2]" 1
351 1 29 GLY HA2 1 30 HIS H 2.675 . 3.550 3.130 3.015 3.272 . 0 0 "[ . 1 . 2]" 1
352 1 29 GLY HA3 1 30 HIS H 2.675 . 3.550 3.325 3.235 3.397 . 0 0 "[ . 1 . 2]" 1
353 1 30 HIS H 1 30 HIS HB2 2.100 . 2.400 2.452 2.317 2.535 0.135 5 0 "[ . 1 . 2]" 1
354 1 30 HIS H 1 31 GLU H 3.325 . 4.850 4.468 4.372 4.514 . 0 0 "[ . 1 . 2]" 1
355 1 30 HIS HA 1 31 GLU H 2.100 . 2.400 2.257 2.154 2.374 . 0 0 "[ . 1 . 2]" 1
356 1 30 HIS HA 1 31 GLU HB3 3.650 . 5.500 4.458 4.135 4.756 . 0 0 "[ . 1 . 2]" 1
357 1 30 HIS HB3 1 31 GLU H 2.650 . 3.500 3.524 3.262 3.662 0.162 3 0 "[ . 1 . 2]" 1
358 1 30 HIS HB3 1 31 GLU QG 3.570 . 5.340 5.401 5.314 5.482 0.142 1 0 "[ . 1 . 2]" 1
359 1 30 HIS HB3 1 32 ILE MD 3.650 . 5.500 5.031 4.634 5.508 0.008 11 0 "[ . 1 . 2]" 1
360 1 30 HIS HB3 1 32 ILE HG12 3.650 . 5.500 4.781 4.333 5.190 . 0 0 "[ . 1 . 2]" 1
361 1 30 HIS HB3 1 32 ILE MG 3.650 . 5.500 2.970 2.682 3.333 . 0 0 "[ . 1 . 2]" 1
362 1 31 GLU H 1 31 GLU HB3 2.355 . 2.910 2.746 2.486 2.944 0.034 3 0 "[ . 1 . 2]" 1
363 1 31 GLU H 1 31 GLU QG 2.445 . 3.090 2.516 2.103 3.106 0.016 12 0 "[ . 1 . 2]" 1
364 1 31 GLU H 1 32 ILE HG12 3.650 . 5.500 5.585 5.556 5.609 0.109 18 0 "[ . 1 . 2]" 1
365 1 31 GLU HA 1 32 ILE H 2.100 . 2.400 2.152 2.033 2.201 . 0 0 "[ . 1 . 2]" 1
366 1 31 GLU HA 1 32 ILE HG12 3.650 . 5.500 3.572 3.149 3.883 . 0 0 "[ . 1 . 2]" 1
367 1 31 GLU HA 1 32 ILE HG13 3.650 . 5.500 4.612 4.316 4.834 . 0 0 "[ . 1 . 2]" 1
368 1 31 GLU HA 1 32 ILE MG 3.650 . 5.500 3.582 3.250 3.965 . 0 0 "[ . 1 . 2]" 1
369 1 31 GLU HB2 1 32 ILE H 3.650 . 5.500 2.991 2.586 3.248 . 0 0 "[ . 1 . 2]" 1
370 1 31 GLU HB2 1 32 ILE HA 3.650 . 5.500 4.608 4.461 4.779 . 0 0 "[ . 1 . 2]" 1
371 1 31 GLU QG 1 32 ILE H 3.570 . 5.340 3.904 3.638 4.263 . 0 0 "[ . 1 . 2]" 1
372 1 31 GLU QG 1 32 ILE HA 3.570 . 5.340 3.885 3.394 4.340 . 0 0 "[ . 1 . 2]" 1
373 1 31 GLU QG 1 33 LEU MD1 3.570 . 5.340 5.178 4.233 5.437 0.097 7 0 "[ . 1 . 2]" 1
374 1 31 GLU QG 1 33 LEU HG 3.570 . 5.340 4.629 3.488 5.064 . 0 0 "[ . 1 . 2]" 1
375 1 32 ILE H 1 32 ILE MD 3.650 . 5.500 3.944 3.782 4.133 . 0 0 "[ . 1 . 2]" 1
376 1 32 ILE H 1 32 ILE HG12 3.650 . 5.500 2.395 2.215 2.649 . 0 0 "[ . 1 . 2]" 1
377 1 32 ILE H 1 32 ILE HG13 2.355 . 2.910 2.735 2.506 2.915 0.005 7 0 "[ . 1 . 2]" 1
378 1 32 ILE H 1 32 ILE MG 3.650 . 5.500 3.058 2.912 3.213 . 0 0 "[ . 1 . 2]" 1
379 1 32 ILE H 1 33 LEU H 3.160 . 4.520 4.277 4.148 4.378 . 0 0 "[ . 1 . 2]" 1
380 1 32 ILE HA 1 32 ILE MD 3.650 . 5.500 4.197 4.181 4.209 . 0 0 "[ . 1 . 2]" 1
381 1 32 ILE HA 1 33 LEU H 2.175 . 2.550 2.209 2.059 2.391 . 0 0 "[ . 1 . 2]" 1
382 1 32 ILE HA 1 64 ARG HA 3.650 . 5.500 4.322 3.372 4.993 . 0 0 "[ . 1 . 2]" 1
383 1 32 ILE HB 1 33 LEU H 3.650 . 5.500 2.757 2.444 2.962 . 0 0 "[ . 1 . 2]" 1
384 1 32 ILE HB 1 57 MET ME 3.650 . 5.500 2.837 2.295 3.355 . 0 0 "[ . 1 . 2]" 1
385 1 32 ILE HB 1 64 ARG HA 3.650 . 5.500 3.386 2.601 4.035 . 0 0 "[ . 1 . 2]" 1
386 1 32 ILE MD 1 32 ILE MG 3.650 . 5.500 1.988 1.823 2.131 . 0 0 "[ . 1 . 2]" 1
387 1 32 ILE MD 1 33 LEU H 3.650 . 5.500 4.520 4.156 4.754 . 0 0 "[ . 1 . 2]" 1
388 1 32 ILE MD 1 34 ALA H 3.650 . 5.500 4.925 4.675 5.196 . 0 0 "[ . 1 . 2]" 1
389 1 32 ILE MD 1 34 ALA HA 3.650 . 5.500 4.599 4.142 4.960 . 0 0 "[ . 1 . 2]" 1
390 1 32 ILE MD 1 57 MET ME 3.650 . 5.500 2.216 1.928 2.773 . 0 0 "[ . 1 . 2]" 1
391 1 32 ILE MD 1 64 ARG HA 3.650 . 5.500 4.640 3.921 5.194 . 0 0 "[ . 1 . 2]" 1
392 1 32 ILE MD 1 65 GLY H 3.650 . 5.500 4.373 3.827 4.879 . 0 0 "[ . 1 . 2]" 1
393 1 32 ILE MD 1 65 GLY QA 3.570 . 5.340 3.583 3.024 4.259 . 0 0 "[ . 1 . 2]" 1
394 1 32 ILE HG12 1 33 LEU H 3.650 . 5.500 4.916 4.823 4.979 . 0 0 "[ . 1 . 2]" 1
395 1 32 ILE HG12 1 57 MET ME 3.650 . 5.500 4.086 3.855 4.447 . 0 0 "[ . 1 . 2]" 1
396 1 32 ILE HG13 1 33 LEU H 2.905 . 4.010 4.007 3.863 4.098 0.088 18 0 "[ . 1 . 2]" 1
397 1 32 ILE HG13 1 57 MET ME 3.650 . 5.500 4.224 3.899 4.629 . 0 0 "[ . 1 . 2]" 1
398 1 32 ILE MG 1 33 LEU H 3.650 . 5.500 3.707 3.551 3.853 . 0 0 "[ . 1 . 2]" 1
399 1 32 ILE MG 1 57 MET ME 3.650 . 5.500 1.968 1.802 2.487 . 0 0 "[ . 1 . 2]" 1
400 1 32 ILE MG 1 63 THR HA 3.650 . 5.500 1.914 1.799 2.273 0.001 6 0 "[ . 1 . 2]" 1
401 1 32 ILE MG 1 63 THR HB 3.650 . 5.500 3.997 3.252 4.497 . 0 0 "[ . 1 . 2]" 1
402 1 32 ILE MG 1 64 ARG HA 3.650 . 5.500 4.277 3.650 4.885 . 0 0 "[ . 1 . 2]" 1
403 1 33 LEU H 1 33 LEU MD2 3.650 . 5.500 3.589 3.346 3.750 . 0 0 "[ . 1 . 2]" 1
404 1 33 LEU H 1 33 LEU HG 3.650 . 5.500 2.590 2.362 2.974 . 0 0 "[ . 1 . 2]" 1
405 1 33 LEU H 1 34 ALA H 3.175 . 4.550 4.276 4.206 4.329 . 0 0 "[ . 1 . 2]" 1
406 1 33 LEU H 1 64 ARG HA 3.650 . 5.500 2.860 2.159 3.584 . 0 0 "[ . 1 . 2]" 1
407 1 33 LEU H 1 64 ARG QD 3.095 . 4.390 3.819 2.454 4.539 0.149 4 0 "[ . 1 . 2]" 1
408 1 33 LEU HA 1 33 LEU MD1 3.650 . 5.500 3.910 3.877 3.961 . 0 0 "[ . 1 . 2]" 1
409 1 33 LEU HA 1 33 LEU MD2 3.650 . 5.500 2.145 2.094 2.231 . 0 0 "[ . 1 . 2]" 1
410 1 33 LEU HA 1 34 ALA H 2.100 . 2.400 2.096 2.047 2.159 . 0 0 "[ . 1 . 2]" 1
411 1 33 LEU HA 1 34 ALA HA 3.650 . 5.500 4.301 4.242 4.351 . 0 0 "[ . 1 . 2]" 1
412 1 33 LEU HA 1 34 ALA MB 3.650 . 5.500 3.820 3.741 3.882 . 0 0 "[ . 1 . 2]" 1
413 1 33 LEU HB2 1 34 ALA H 3.650 . 5.500 4.134 4.062 4.180 . 0 0 "[ . 1 . 2]" 1
414 1 33 LEU HB2 1 64 ARG QB 3.570 . 5.340 4.370 2.926 5.169 . 0 0 "[ . 1 . 2]" 1
415 1 33 LEU HB2 1 64 ARG QD 3.570 . 5.340 3.344 2.150 3.964 . 0 0 "[ . 1 . 2]" 1
416 1 33 LEU HB3 1 34 ALA H 2.595 . 3.390 3.373 3.300 3.412 0.022 14 0 "[ . 1 . 2]" 1
417 1 33 LEU HB3 1 34 ALA HA 3.650 . 5.500 4.693 4.611 4.829 . 0 0 "[ . 1 . 2]" 1
418 1 33 LEU MD1 1 64 ARG HA 3.650 . 5.500 4.984 4.475 5.535 0.035 7 0 "[ . 1 . 2]" 1
419 1 33 LEU MD1 1 64 ARG QD 3.570 . 5.340 3.685 2.643 4.954 . 0 0 "[ . 1 . 2]" 1
420 1 33 LEU MD2 1 34 ALA H 3.650 . 5.500 3.793 3.634 3.993 . 0 0 "[ . 1 . 2]" 1
421 1 34 ALA H 1 34 ALA MB 2.550 . 3.300 2.486 2.346 2.555 . 0 0 "[ . 1 . 2]" 1
422 1 34 ALA H 1 35 HIS H 3.175 . 4.550 4.385 4.307 4.452 . 0 0 "[ . 1 . 2]" 1
423 1 34 ALA H 1 67 ILE MD 3.650 . 5.500 4.385 4.125 4.767 . 0 0 "[ . 1 . 2]" 1
424 1 34 ALA HA 1 35 HIS H 2.100 . 2.400 2.269 2.120 2.358 . 0 0 "[ . 1 . 2]" 1
425 1 34 ALA HA 1 66 ARG HA 3.650 . 5.500 4.001 3.385 4.364 . 0 0 "[ . 1 . 2]" 1
426 1 34 ALA MB 1 35 HIS H 2.460 . 3.120 2.515 2.420 2.819 . 0 0 "[ . 1 . 2]" 1
427 1 34 ALA MB 1 35 HIS HA 3.650 . 5.500 4.084 3.917 4.211 . 0 0 "[ . 1 . 2]" 1
428 1 34 ALA MB 1 55 VAL MG2 3.650 . 5.500 2.375 2.127 3.038 . 0 0 "[ . 1 . 2]" 1
429 1 34 ALA MB 1 66 ARG HA 3.650 . 5.500 3.205 2.732 3.777 . 0 0 "[ . 1 . 2]" 1
430 1 34 ALA MB 1 67 ILE H 3.650 . 5.500 3.636 3.318 3.916 . 0 0 "[ . 1 . 2]" 1
431 1 34 ALA MB 1 67 ILE HB 3.650 . 5.500 4.332 3.827 4.602 . 0 0 "[ . 1 . 2]" 1
432 1 34 ALA MB 1 67 ILE MD 3.650 . 5.500 1.904 1.794 2.059 0.006 12 0 "[ . 1 . 2]" 1
433 1 34 ALA MB 1 67 ILE HG12 3.650 . 5.500 4.048 3.659 4.278 . 0 0 "[ . 1 . 2]" 1
434 1 34 ALA MB 1 67 ILE HG13 3.650 . 5.500 3.783 2.564 4.247 . 0 0 "[ . 1 . 2]" 1
435 1 35 HIS H 1 35 HIS HB2 2.625 . 3.450 2.768 2.340 3.207 . 0 0 "[ . 1 . 2]" 1
436 1 35 HIS H 1 35 HIS QB 2.350 . 2.900 2.459 2.309 2.592 . 0 0 "[ . 1 . 2]" 1
437 1 35 HIS H 1 35 HIS HB3 2.625 . 3.450 2.876 2.551 3.582 0.132 1 0 "[ . 1 . 2]" 1
438 1 35 HIS H 1 66 ARG HA 2.355 . 2.910 2.332 2.022 2.577 . 0 0 "[ . 1 . 2]" 1
439 1 35 HIS H 1 67 ILE H 2.795 . 3.790 3.595 3.329 3.803 0.013 2 0 "[ . 1 . 2]" 1
440 1 35 HIS H 1 67 ILE MD 3.625 . 5.450 3.366 3.035 3.957 . 0 0 "[ . 1 . 2]" 1
441 1 35 HIS HA 1 36 VAL H 2.360 . 2.920 2.222 2.169 2.351 . 0 0 "[ . 1 . 2]" 1
442 1 35 HIS HA 1 36 VAL QG 3.650 . 5.500 3.414 3.335 3.653 . 0 0 "[ . 1 . 2]" 1
443 1 35 HIS QB 1 66 ARG QD 3.280 . 4.760 4.526 3.534 4.897 0.137 14 0 "[ . 1 . 2]" 1
444 1 35 HIS HB2 1 36 VAL H 3.650 . 5.500 4.233 4.123 4.342 . 0 0 "[ . 1 . 2]" 1
445 1 35 HIS HB3 1 36 VAL H 3.650 . 5.500 3.754 3.063 4.120 . 0 0 "[ . 1 . 2]" 1
446 1 36 VAL H 1 36 VAL HB 2.840 . 3.880 3.679 3.651 3.727 . 0 0 "[ . 1 . 2]" 1
447 1 36 VAL H 1 36 VAL QG 2.335 . 2.870 1.909 1.831 1.993 . 0 0 "[ . 1 . 2]" 1
448 1 36 VAL HA 1 37 SER H 2.100 . 2.400 2.213 2.155 2.281 . 0 0 "[ . 1 . 2]" 1
449 1 36 VAL HA 1 40 ILE MD 3.650 . 5.500 3.614 3.115 4.175 . 0 0 "[ . 1 . 2]" 1
450 1 36 VAL HA 1 67 ILE H 3.650 . 5.500 2.529 2.314 2.796 . 0 0 "[ . 1 . 2]" 1
451 1 36 VAL HA 1 67 ILE HB 3.650 . 5.500 2.227 1.888 2.610 . 0 0 "[ . 1 . 2]" 1
452 1 36 VAL HB 1 37 SER H 2.350 . 2.900 2.674 2.583 2.760 . 0 0 "[ . 1 . 2]" 1
453 1 36 VAL HB 1 40 ILE HB 3.650 . 5.500 2.083 1.899 2.418 . 0 0 "[ . 1 . 2]" 1
454 1 36 VAL HB 1 40 ILE MD 3.650 . 5.500 2.583 2.114 3.344 . 0 0 "[ . 1 . 2]" 1
455 1 36 VAL HB 1 40 ILE MG 3.650 . 5.500 2.566 2.056 3.134 . 0 0 "[ . 1 . 2]" 1
456 1 36 VAL QG 1 40 ILE HB 3.650 . 5.500 2.731 2.316 3.270 . 0 0 "[ . 1 . 2]" 1
457 1 36 VAL QG 1 41 ARG H 3.100 . 4.400 3.318 3.068 3.700 . 0 0 "[ . 1 . 2]" 1
458 1 36 VAL QG 1 41 ARG HA 3.650 . 5.500 3.247 2.551 3.775 . 0 0 "[ . 1 . 2]" 1
459 1 36 VAL QG 1 41 ARG HB2 3.650 . 5.500 2.968 2.249 4.990 . 0 0 "[ . 1 . 2]" 1
460 1 36 VAL QG 1 41 ARG HB3 3.650 . 5.500 4.165 3.609 5.013 . 0 0 "[ . 1 . 2]" 1
461 1 36 VAL QG 1 47 ILE MD 3.650 . 5.500 2.985 1.826 4.441 . 0 0 "[ . 1 . 2]" 1
462 1 37 SER H 1 37 SER QB 2.250 . 2.700 2.404 2.299 2.487 . 0 0 "[ . 1 . 2]" 1
463 1 37 SER HA 1 66 ARG QD 3.570 . 5.340 2.768 2.026 3.490 . 0 0 "[ . 1 . 2]" 1
464 1 37 SER QB 1 38 GLY QA 3.570 . 5.340 4.011 3.916 4.149 . 0 0 "[ . 1 . 2]" 1
465 1 37 SER QB 1 66 ARG QD 3.490 . 5.180 2.499 2.110 2.959 . 0 0 "[ . 1 . 2]" 1
466 1 37 SER QB 1 68 THR HB 3.570 . 5.340 4.835 4.023 5.388 0.048 19 0 "[ . 1 . 2]" 1
467 1 37 SER HB2 1 66 ARG HG2 3.650 . 5.500 5.077 4.513 5.538 0.038 1 0 "[ . 1 . 2]" 1
468 1 37 SER HB2 1 66 ARG HG3 3.650 . 5.500 5.376 4.862 5.549 0.049 1 0 "[ . 1 . 2]" 1
469 1 37 SER HB2 1 68 THR MG 3.650 . 5.500 3.898 2.898 5.329 . 0 0 "[ . 1 . 2]" 1
470 1 37 SER HB3 1 66 ARG HG2 3.650 . 5.500 3.831 2.927 5.165 . 0 0 "[ . 1 . 2]" 1
471 1 37 SER HB3 1 66 ARG HG3 3.650 . 5.500 4.431 3.586 5.065 . 0 0 "[ . 1 . 2]" 1
472 1 37 SER HB3 1 68 THR MG 3.650 . 5.500 3.020 2.056 4.287 . 0 0 "[ . 1 . 2]" 1
473 1 38 GLY QA 1 41 ARG HA 3.650 . 5.500 4.900 4.633 5.315 . 0 0 "[ . 1 . 2]" 1
474 1 38 GLY QA 1 41 ARG QB 3.570 . 5.340 2.320 1.958 2.869 . 0 0 "[ . 1 . 2]" 1
475 1 40 ILE H 1 40 ILE HB 2.180 . 2.560 2.361 2.216 2.480 . 0 0 "[ . 1 . 2]" 1
476 1 40 ILE H 1 40 ILE MD 3.650 . 5.500 3.688 3.459 3.907 . 0 0 "[ . 1 . 2]" 1
477 1 40 ILE H 1 40 ILE QG 2.365 . 2.930 2.460 2.145 2.853 . 0 0 "[ . 1 . 2]" 1
478 1 40 ILE H 1 40 ILE MG 3.650 . 5.500 3.723 3.625 3.798 . 0 0 "[ . 1 . 2]" 1
479 1 40 ILE H 1 41 ARG H 2.485 . 3.170 2.316 2.128 2.606 . 0 0 "[ . 1 . 2]" 1
480 1 40 ILE H 1 41 ARG HA 3.650 . 5.500 4.971 4.805 5.240 . 0 0 "[ . 1 . 2]" 1
481 1 40 ILE H 1 43 ASN QB 3.570 . 5.340 5.054 4.513 5.368 0.028 15 0 "[ . 1 . 2]" 1
482 1 40 ILE HA 1 40 ILE MD 3.650 . 5.500 3.819 3.755 3.881 . 0 0 "[ . 1 . 2]" 1
483 1 40 ILE HA 1 41 ARG QB 3.570 . 5.340 5.176 5.047 5.403 0.063 19 0 "[ . 1 . 2]" 1
484 1 40 ILE HB 1 41 ARG H 3.650 . 5.500 2.952 2.709 3.302 . 0 0 "[ . 1 . 2]" 1
485 1 40 ILE MD 1 45 ILE QG 3.570 . 5.340 3.744 2.598 4.706 . 0 0 "[ . 1 . 2]" 1
486 1 40 ILE MD 1 47 ILE MD 3.650 . 5.500 2.431 1.898 3.885 . 0 0 "[ . 1 . 2]" 1
487 1 40 ILE QG 1 43 ASN QB 3.490 . 5.180 4.527 3.492 5.076 . 0 0 "[ . 1 . 2]" 1
488 1 40 ILE QG 1 45 ILE HA 3.570 . 5.340 5.385 5.056 5.494 0.154 20 0 "[ . 1 . 2]" 1
489 1 40 ILE QG 1 45 ILE HB 3.570 . 5.340 3.725 2.242 4.850 . 0 0 "[ . 1 . 2]" 1
490 1 40 ILE QG 1 45 ILE QG 3.490 . 5.180 2.439 1.888 3.931 . 0 0 "[ . 1 . 2]" 1
491 1 40 ILE QG 1 45 ILE MG 3.570 . 5.340 4.029 2.288 4.665 . 0 0 "[ . 1 . 2]" 1
492 1 40 ILE MG 1 41 ARG H 3.650 . 5.500 3.523 2.977 3.887 . 0 0 "[ . 1 . 2]" 1
493 1 40 ILE MG 1 41 ARG HA 3.650 . 5.500 3.497 3.056 3.867 . 0 0 "[ . 1 . 2]" 1
494 1 40 ILE MG 1 47 ILE MD 3.650 . 5.500 2.890 1.801 4.313 . 0 0 "[ . 1 . 2]" 1
495 1 40 ILE MG 1 47 ILE QG 3.570 . 5.340 2.823 1.908 3.937 . 0 0 "[ . 1 . 2]" 1
496 1 41 ARG H 1 41 ARG QB 2.235 . 2.670 2.276 2.081 2.583 . 0 0 "[ . 1 . 2]" 1
497 1 42 MET H 1 42 MET QB 2.315 . 2.830 2.423 2.254 2.795 . 0 0 "[ . 1 . 2]" 1
498 1 42 MET QB 1 43 ASN QB 3.490 . 5.180 3.973 3.332 4.542 . 0 0 "[ . 1 . 2]" 1
499 1 43 ASN H 1 43 ASN QB 2.535 . 3.270 2.408 2.250 2.663 . 0 0 "[ . 1 . 2]" 1
500 1 43 ASN QB 1 44 TYR QB 3.280 . 4.760 4.569 3.770 4.904 0.144 1 0 "[ . 1 . 2]" 1
501 1 44 TYR H 1 44 TYR QB 2.350 . 2.900 2.506 2.171 3.082 0.182 20 0 "[ . 1 . 2]" 1
502 1 44 TYR HA 1 45 ILE H 2.530 . 3.260 2.869 2.149 3.396 0.136 7 0 "[ . 1 . 2]" 1
503 1 45 ILE H 1 45 ILE MD 3.650 . 5.500 3.577 2.629 3.783 . 0 0 "[ . 1 . 2]" 1
504 1 45 ILE H 1 45 ILE QG 2.325 . 2.850 2.007 1.833 2.834 . 0 0 "[ . 1 . 2]" 1
505 1 45 ILE H 1 45 ILE MG 2.355 . 2.910 2.688 2.425 3.284 0.374 11 0 "[ . 1 . 2]" 1
506 1 45 ILE H 1 46 ARG H 3.205 . 4.610 3.752 3.029 4.618 0.008 16 0 "[ . 1 . 2]" 1
507 1 45 ILE HA 1 45 ILE MD 3.650 . 5.500 4.036 2.011 4.236 . 0 0 "[ . 1 . 2]" 1
508 1 45 ILE HA 1 46 ARG H 2.220 . 2.640 2.347 1.993 2.667 0.027 5 0 "[ . 1 . 2]" 1
509 1 45 ILE QG 1 46 ARG H 3.570 . 5.340 4.122 3.744 4.665 . 0 0 "[ . 1 . 2]" 1
510 1 45 ILE MG 1 46 ARG H 3.650 . 5.500 3.923 3.001 4.314 . 0 0 "[ . 1 . 2]" 1
511 1 47 ILE H 1 47 ILE HB 2.250 . 2.700 2.440 2.158 2.590 . 0 0 "[ . 1 . 2]" 1
512 1 47 ILE H 1 47 ILE HG12 2.965 . 4.130 2.889 2.279 4.050 . 0 0 "[ . 1 . 2]" 1
513 1 47 ILE H 1 47 ILE QG 2.545 . 3.290 2.621 2.130 3.391 0.101 14 0 "[ . 1 . 2]" 1
514 1 47 ILE H 1 47 ILE HG13 2.965 . 4.130 3.652 2.153 4.145 0.015 10 0 "[ . 1 . 2]" 1
515 1 47 ILE H 1 47 ILE MG 3.650 . 5.500 3.726 3.563 3.812 . 0 0 "[ . 1 . 2]" 1
516 1 47 ILE H 1 48 LEU H 3.225 . 4.650 4.438 4.179 4.517 . 0 0 "[ . 1 . 2]" 1
517 1 47 ILE HA 1 47 ILE MD 3.650 . 5.500 2.458 2.038 3.870 . 0 0 "[ . 1 . 2]" 1
518 1 47 ILE HA 1 48 LEU H 2.100 . 2.400 2.164 2.110 2.244 . 0 0 "[ . 1 . 2]" 1
519 1 47 ILE MD 1 47 ILE MG 3.650 . 5.500 2.250 1.838 3.234 . 0 0 "[ . 1 . 2]" 1
520 1 47 ILE MD 1 70 ARG HB2 3.650 . 5.500 3.550 2.146 5.271 . 0 0 "[ . 1 . 2]" 1
521 1 47 ILE MD 1 70 ARG HB3 3.650 . 5.500 2.942 2.014 4.272 . 0 0 "[ . 1 . 2]" 1
522 1 47 ILE QG 1 70 ARG QB 3.490 . 5.180 3.889 2.263 5.292 0.112 3 0 "[ . 1 . 2]" 1
523 1 47 ILE MG 1 48 LEU H 2.380 . 2.960 2.589 2.403 2.821 . 0 0 "[ . 1 . 2]" 1
524 1 47 ILE MG 1 48 LEU HG 3.650 . 5.500 5.516 5.349 5.572 0.072 13 0 "[ . 1 . 2]" 1
525 1 47 ILE MG 1 51 ASP HB2 3.650 . 5.500 2.846 2.009 4.235 . 0 0 "[ . 1 . 2]" 1
526 1 47 ILE MG 1 51 ASP HB3 3.650 . 5.500 2.819 2.017 3.582 . 0 0 "[ . 1 . 2]" 1
527 1 48 LEU H 1 48 LEU QD 3.650 . 5.500 3.456 2.407 3.918 . 0 0 "[ . 1 . 2]" 1
528 1 48 LEU H 1 48 LEU HG 3.650 . 5.500 4.337 3.882 4.445 . 0 0 "[ . 1 . 2]" 1
529 1 48 LEU HA 1 48 LEU QD 3.650 . 5.500 2.346 2.139 2.684 . 0 0 "[ . 1 . 2]" 1
530 1 48 LEU HB2 1 49 PRO HD2 3.650 . 5.500 4.210 4.124 4.288 . 0 0 "[ . 1 . 2]" 1
531 1 48 LEU HB2 1 49 PRO HD3 3.650 . 5.500 4.711 4.569 4.833 . 0 0 "[ . 1 . 2]" 1
532 1 48 LEU HB3 1 49 PRO HD2 3.650 . 5.500 3.687 2.653 4.451 . 0 0 "[ . 1 . 2]" 1
533 1 48 LEU HB3 1 49 PRO HD3 3.650 . 5.500 4.432 3.705 4.959 . 0 0 "[ . 1 . 2]" 1
534 1 48 LEU QD 1 49 PRO HD2 3.650 . 5.500 2.563 1.950 3.471 . 0 0 "[ . 1 . 2]" 1
535 1 48 LEU QD 1 49 PRO HD3 3.650 . 5.500 3.379 2.794 4.029 . 0 0 "[ . 1 . 2]" 1
536 1 48 LEU HG 1 49 PRO HD2 3.650 . 5.500 2.704 2.440 3.085 . 0 0 "[ . 1 . 2]" 1
537 1 48 LEU HG 1 49 PRO HD3 3.650 . 5.500 3.736 3.460 4.032 . 0 0 "[ . 1 . 2]" 1
538 1 48 LEU HG 1 49 PRO HG3 3.650 . 5.500 5.286 4.996 5.601 0.101 2 0 "[ . 1 . 2]" 1
539 1 49 PRO HA 1 50 GLY H 2.100 . 2.400 2.137 2.113 2.178 . 0 0 "[ . 1 . 2]" 1
540 1 49 PRO HA 1 50 GLY QA 3.570 . 5.340 3.928 3.905 3.945 . 0 0 "[ . 1 . 2]" 1
541 1 49 PRO HA 1 51 ASP H 2.640 . 3.480 3.329 3.206 3.429 . 0 0 "[ . 1 . 2]" 1
542 1 49 PRO QB 1 50 GLY H 2.620 . 3.440 3.302 3.076 3.398 . 0 0 "[ . 1 . 2]" 1
543 1 49 PRO QB 1 51 ASP H 3.570 . 5.340 4.652 4.574 4.703 . 0 0 "[ . 1 . 2]" 1
544 1 50 GLY H 1 51 ASP H 2.175 . 2.550 2.433 2.259 2.568 0.018 14 0 "[ . 1 . 2]" 1
545 1 51 ASP H 1 51 ASP QB 2.165 . 2.530 2.283 2.150 2.403 . 0 0 "[ . 1 . 2]" 1
546 1 51 ASP H 1 52 LYS HA 3.650 . 5.500 5.349 5.089 5.504 0.004 19 0 "[ . 1 . 2]" 1
547 1 51 ASP HA 1 52 LYS H 2.100 . 2.400 2.260 2.136 2.396 . 0 0 "[ . 1 . 2]" 1
548 1 51 ASP HA 1 52 LYS HA 3.650 . 5.500 4.345 4.271 4.393 . 0 0 "[ . 1 . 2]" 1
549 1 51 ASP QB 1 52 LYS H 2.315 . 2.830 2.807 2.504 3.038 0.208 3 0 "[ . 1 . 2]" 1
550 1 52 LYS HA 1 53 VAL H 2.100 . 2.400 2.207 2.093 2.322 . 0 0 "[ . 1 . 2]" 1
551 1 52 LYS HA 1 53 VAL HA 3.650 . 5.500 4.372 4.259 4.447 . 0 0 "[ . 1 . 2]" 1
552 1 52 LYS HA 1 53 VAL MG1 3.650 . 5.500 3.673 3.357 3.842 . 0 0 "[ . 1 . 2]" 1
553 1 52 LYS HA 1 53 VAL MG2 3.650 . 5.500 3.625 3.256 3.945 . 0 0 "[ . 1 . 2]" 1
554 1 52 LYS QB 1 71 TYR QB 3.280 . 4.760 3.107 1.984 4.846 0.086 15 0 "[ . 1 . 2]" 1
555 1 53 VAL H 1 53 VAL HB 2.880 . 3.960 3.858 3.776 3.928 . 0 0 "[ . 1 . 2]" 1
556 1 53 VAL H 1 53 VAL MG2 3.650 . 5.500 2.281 2.118 2.436 . 0 0 "[ . 1 . 2]" 1
557 1 53 VAL HA 1 54 THR H 2.155 . 2.510 2.269 2.095 2.352 . 0 0 "[ . 1 . 2]" 1
558 1 53 VAL HA 1 67 ILE MG 3.650 . 5.500 4.021 3.760 4.378 . 0 0 "[ . 1 . 2]" 1
559 1 53 VAL HA 1 70 ARG HA 3.650 . 5.500 2.074 1.834 2.721 . 0 0 "[ . 1 . 2]" 1
560 1 53 VAL HA 1 70 ARG QB 3.570 . 5.340 3.515 2.931 4.095 . 0 0 "[ . 1 . 2]" 1
561 1 53 VAL HA 1 71 TYR H 2.880 . 3.960 2.610 1.973 3.181 . 0 0 "[ . 1 . 2]" 1
562 1 53 VAL HB 1 54 THR H 2.230 . 2.660 2.487 2.388 2.698 0.038 7 0 "[ . 1 . 2]" 1
563 1 53 VAL HB 1 54 THR HA 3.650 . 5.500 4.535 4.464 4.604 . 0 0 "[ . 1 . 2]" 1
564 1 53 VAL HB 1 67 ILE MG 3.650 . 5.500 2.422 2.150 2.795 . 0 0 "[ . 1 . 2]" 1
565 1 53 VAL HB 1 69 TYR H 3.485 . 5.170 4.342 3.903 4.694 . 0 0 "[ . 1 . 2]" 1
566 1 53 VAL HB 1 69 TYR QB 3.570 . 5.340 5.397 5.315 5.453 0.113 15 0 "[ . 1 . 2]" 1
567 1 53 VAL MG1 1 70 ARG HA 3.650 . 5.500 2.505 2.069 3.337 . 0 0 "[ . 1 . 2]" 1
568 1 53 VAL MG1 1 70 ARG HB2 3.650 . 5.500 2.875 2.119 5.297 . 0 0 "[ . 1 . 2]" 1
569 1 53 VAL MG1 1 70 ARG QB 3.570 . 5.340 2.347 1.931 4.053 . 0 0 "[ . 1 . 2]" 1
570 1 53 VAL MG1 1 70 ARG HB3 3.650 . 5.500 2.633 2.005 4.207 . 0 0 "[ . 1 . 2]" 1
571 1 53 VAL MG1 1 71 TYR H 2.965 . 4.130 3.681 2.744 4.162 0.032 11 0 "[ . 1 . 2]" 1
572 1 53 VAL MG2 1 54 THR H 3.650 . 4.270 3.585 3.356 3.766 . 0 0 "[ . 1 . 2]" 1
573 1 53 VAL MG2 1 54 THR HA 3.650 . 5.500 4.096 3.637 4.283 . 0 0 "[ . 1 . 2]" 1
574 1 53 VAL MG2 1 67 ILE HG13 3.650 . 5.500 2.700 2.254 3.651 . 0 0 "[ . 1 . 2]" 1
575 1 54 THR H 1 67 ILE MG 3.650 . 5.500 3.232 2.913 3.646 . 0 0 "[ . 1 . 2]" 1
576 1 54 THR H 1 69 TYR H 2.955 . 4.110 3.364 2.980 3.553 . 0 0 "[ . 1 . 2]" 1
577 1 54 THR H 1 69 TYR QB 2.800 . 3.800 3.499 3.171 3.813 0.013 2 0 "[ . 1 . 2]" 1
578 1 54 THR HA 1 55 VAL H 2.100 . 2.400 2.146 2.081 2.240 . 0 0 "[ . 1 . 2]" 1
579 1 54 THR HB 1 55 VAL H 3.110 . 4.420 4.132 3.953 4.230 . 0 0 "[ . 1 . 2]" 1
580 1 54 THR HB 1 68 THR H 3.120 . 4.440 3.692 3.173 3.991 . 0 0 "[ . 1 . 2]" 1
581 1 54 THR HB 1 69 TYR H 3.650 . 5.500 2.785 2.405 3.185 . 0 0 "[ . 1 . 2]" 1
582 1 54 THR HB 1 69 TYR HA 3.650 . 5.500 4.615 4.314 5.121 . 0 0 "[ . 1 . 2]" 1
583 1 54 THR HB 1 69 TYR HB2 3.650 . 5.500 3.567 1.945 4.251 . 0 0 "[ . 1 . 2]" 1
584 1 54 THR HB 1 69 TYR HB3 3.650 . 5.500 2.266 1.912 3.239 . 0 0 "[ . 1 . 2]" 1
585 1 55 VAL H 1 55 VAL HB 2.435 . 3.070 2.980 2.870 3.063 . 0 0 "[ . 1 . 2]" 1
586 1 55 VAL H 1 55 VAL MG1 2.165 . 2.530 2.202 2.139 2.360 . 0 0 "[ . 1 . 2]" 1
587 1 55 VAL H 1 55 VAL MG2 3.650 . 5.500 3.875 3.833 3.936 . 0 0 "[ . 1 . 2]" 1
588 1 55 VAL HA 1 56 GLU H 2.100 . 2.400 2.113 2.042 2.228 . 0 0 "[ . 1 . 2]" 1
589 1 55 VAL HA 1 57 MET HG2 3.650 . 5.500 5.279 4.743 5.539 0.039 8 0 "[ . 1 . 2]" 1
590 1 55 VAL HB 1 67 ILE HG13 3.650 . 5.500 3.300 2.779 4.104 . 0 0 "[ . 1 . 2]" 1
591 1 55 VAL MG1 1 56 GLU H 3.650 . 5.500 3.973 3.770 4.094 . 0 0 "[ . 1 . 2]" 1
592 1 55 VAL MG1 1 62 LEU HA 3.650 . 5.500 5.416 5.155 5.555 0.055 2 0 "[ . 1 . 2]" 1
593 1 55 VAL MG1 1 62 LEU HG 3.650 . 5.500 5.589 5.550 5.679 0.179 7 0 "[ . 1 . 2]" 1
594 1 55 VAL MG1 1 67 ILE HG13 3.650 . 5.500 4.759 4.248 5.458 . 0 0 "[ . 1 . 2]" 1
595 1 55 VAL MG2 1 56 GLU H 2.290 . 2.780 2.671 2.475 2.817 0.037 2 0 "[ . 1 . 2]" 1
596 1 55 VAL MG2 1 56 GLU HA 3.650 . 5.500 3.958 3.785 4.054 . 0 0 "[ . 1 . 2]" 1
597 1 55 VAL MG2 1 57 MET HB3 3.650 . 5.500 3.307 2.749 4.285 . 0 0 "[ . 1 . 2]" 1
598 1 55 VAL MG2 1 57 MET HG2 3.650 . 5.500 2.954 2.084 3.460 . 0 0 "[ . 1 . 2]" 1
599 1 55 VAL MG2 1 57 MET HG3 3.650 . 5.500 4.390 3.482 4.875 . 0 0 "[ . 1 . 2]" 1
600 1 55 VAL MG2 1 65 GLY HA2 3.650 . 5.500 3.200 2.958 3.551 . 0 0 "[ . 1 . 2]" 1
601 1 55 VAL MG2 1 65 GLY HA3 3.650 . 5.500 1.989 1.879 2.201 . 0 0 "[ . 1 . 2]" 1
602 1 55 VAL MG2 1 66 ARG H 2.345 . 2.890 2.361 2.124 2.619 . 0 0 "[ . 1 . 2]" 1
603 1 55 VAL MG2 1 66 ARG HB2 3.650 . 5.500 4.782 4.601 5.045 . 0 0 "[ . 1 . 2]" 1
604 1 55 VAL MG2 1 66 ARG HB3 3.650 . 5.500 4.389 4.138 4.647 . 0 0 "[ . 1 . 2]" 1
605 1 55 VAL MG2 1 67 ILE MD 3.650 . 5.500 2.638 2.009 3.423 . 0 0 "[ . 1 . 2]" 1
606 1 55 VAL MG2 1 67 ILE HG13 3.650 . 5.500 3.484 2.456 3.972 . 0 0 "[ . 1 . 2]" 1
607 1 56 GLU H 1 56 GLU HG2 3.650 . 5.500 3.168 1.905 4.353 . 0 0 "[ . 1 . 2]" 1
608 1 56 GLU H 1 56 GLU HG3 3.650 . 5.500 3.144 2.366 4.543 . 0 0 "[ . 1 . 2]" 1
609 1 56 GLU H 1 57 MET ME 3.650 . 5.500 5.252 4.833 5.508 0.008 16 0 "[ . 1 . 2]" 1
610 1 56 GLU H 1 66 ARG H 2.260 . 2.720 2.707 2.564 2.789 0.069 17 0 "[ . 1 . 2]" 1
611 1 56 GLU HA 1 57 MET H 2.100 . 2.400 2.143 2.059 2.218 . 0 0 "[ . 1 . 2]" 1
612 1 56 GLU HA 1 57 MET HG2 3.650 . 5.500 3.655 3.387 3.921 . 0 0 "[ . 1 . 2]" 1
613 1 56 GLU HB2 1 66 ARG HB3 3.650 . 5.500 3.915 2.572 5.537 0.037 17 0 "[ . 1 . 2]" 1
614 1 56 GLU HB2 1 68 THR MG 3.650 . 5.500 4.214 2.071 5.530 0.030 8 0 "[ . 1 . 2]" 1
615 1 56 GLU HB3 1 66 ARG HB3 3.650 . 5.500 4.375 2.131 5.616 0.116 1 0 "[ . 1 . 2]" 1
616 1 56 GLU HB3 1 68 THR MG 3.650 . 5.500 4.217 2.006 5.511 0.011 13 0 "[ . 1 . 2]" 1
617 1 56 GLU QG 1 66 ARG QD 3.280 . 4.760 4.473 3.725 4.822 0.062 18 0 "[ . 1 . 2]" 1
618 1 56 GLU QG 1 68 THR MG 3.570 . 5.340 3.531 2.136 4.016 . 0 0 "[ . 1 . 2]" 1
619 1 56 GLU HG2 1 66 ARG HB3 3.650 . 5.500 4.094 2.229 5.692 0.192 18 0 "[ . 1 . 2]" 1
620 1 56 GLU HG2 1 68 THR MG 3.650 . 5.500 4.192 2.153 5.397 . 0 0 "[ . 1 . 2]" 1
621 1 56 GLU HG3 1 66 ARG HB3 3.650 . 5.500 4.036 2.508 5.541 0.041 6 0 "[ . 1 . 2]" 1
622 1 56 GLU HG3 1 68 THR MG 3.650 . 5.500 4.073 3.358 4.829 . 0 0 "[ . 1 . 2]" 1
623 1 57 MET H 1 57 MET ME 3.650 . 5.500 4.638 4.419 4.834 . 0 0 "[ . 1 . 2]" 1
624 1 57 MET H 1 57 MET HG2 2.420 . 3.040 2.783 2.537 3.102 0.062 19 0 "[ . 1 . 2]" 1
625 1 57 MET H 1 57 MET HG3 2.560 . 3.320 2.767 2.406 3.046 . 0 0 "[ . 1 . 2]" 1
626 1 57 MET HA 1 57 MET ME 3.650 . 5.500 3.879 3.465 4.085 . 0 0 "[ . 1 . 2]" 1
627 1 57 MET HB2 1 57 MET ME 3.650 . 5.500 2.772 2.376 3.226 . 0 0 "[ . 1 . 2]" 1
628 1 57 MET HB2 1 58 SER H 2.415 . 3.030 2.732 2.529 3.137 0.107 4 0 "[ . 1 . 2]" 1
629 1 57 MET HB2 1 62 LEU QB 3.570 . 5.340 4.644 3.889 5.101 . 0 0 "[ . 1 . 2]" 1
630 1 57 MET HB2 1 64 ARG H 3.650 . 5.500 4.469 3.689 5.513 0.013 13 0 "[ . 1 . 2]" 1
631 1 57 MET HB3 1 57 MET ME 3.650 . 5.500 2.000 1.918 2.112 . 0 0 "[ . 1 . 2]" 1
632 1 57 MET HB3 1 58 SER H 2.700 . 3.600 3.385 2.670 3.648 0.048 11 0 "[ . 1 . 2]" 1
633 1 57 MET ME 1 61 ASP HB2 3.650 . 5.500 5.296 4.187 5.619 0.119 2 0 "[ . 1 . 2]" 1
634 1 57 MET ME 1 62 LEU H 3.650 . 5.500 3.716 3.357 4.444 . 0 0 "[ . 1 . 2]" 1
635 1 57 MET ME 1 62 LEU HA 3.650 . 5.500 2.610 2.298 3.160 . 0 0 "[ . 1 . 2]" 1
636 1 57 MET ME 1 62 LEU QB 3.570 . 5.340 4.078 3.541 4.614 . 0 0 "[ . 1 . 2]" 1
637 1 57 MET ME 1 63 THR H 3.650 . 5.500 3.461 2.817 4.401 . 0 0 "[ . 1 . 2]" 1
638 1 57 MET ME 1 63 THR MG 3.650 . 5.500 4.686 4.089 5.417 . 0 0 "[ . 1 . 2]" 1
639 1 57 MET ME 1 64 ARG H 3.650 . 5.500 2.970 2.394 3.500 . 0 0 "[ . 1 . 2]" 1
640 1 57 MET ME 1 64 ARG QG 3.570 . 5.340 5.138 4.067 5.425 0.085 20 0 "[ . 1 . 2]" 1
641 1 57 MET ME 1 65 GLY QA 3.570 . 5.340 2.569 2.274 3.089 . 0 0 "[ . 1 . 2]" 1
642 1 57 MET HG2 1 62 LEU QD 3.650 . 5.500 4.528 3.673 5.386 . 0 0 "[ . 1 . 2]" 1
643 1 57 MET HG3 1 62 LEU QD 3.650 . 5.500 3.489 2.378 4.658 . 0 0 "[ . 1 . 2]" 1
644 1 57 MET HG3 1 65 GLY HA2 3.650 . 5.500 5.470 4.864 5.586 0.086 10 0 "[ . 1 . 2]" 1
645 1 57 MET HG3 1 65 GLY HA3 3.650 . 5.500 5.236 4.539 5.578 0.078 18 0 "[ . 1 . 2]" 1
646 1 58 SER H 1 58 SER QB 2.155 . 2.510 2.493 2.395 2.589 0.079 6 0 "[ . 1 . 2]" 1
647 1 58 SER H 1 61 ASP H 3.080 . 4.360 4.240 3.644 4.419 0.059 18 0 "[ . 1 . 2]" 1
648 1 58 SER H 1 61 ASP HB3 3.650 . 5.500 3.842 2.734 5.242 . 0 0 "[ . 1 . 2]" 1
649 1 58 SER H 1 64 ARG H 3.650 . 5.500 5.243 4.611 5.588 0.088 2 0 "[ . 1 . 2]" 1
650 1 58 SER HA 1 59 PRO HG2 3.650 . 5.500 4.537 4.346 4.648 . 0 0 "[ . 1 . 2]" 1
651 1 58 SER HA 1 59 PRO HG3 3.650 . 5.500 4.205 4.035 4.503 . 0 0 "[ . 1 . 2]" 1
652 1 58 SER HA 1 60 TYR H 2.865 . 3.930 3.836 3.634 3.936 0.006 16 0 "[ . 1 . 2]" 1
653 1 58 SER QB 1 60 TYR H 3.570 . 5.340 2.623 2.433 2.756 . 0 0 "[ . 1 . 2]" 1
654 1 58 SER QB 1 61 ASP H 2.640 . 3.480 3.075 2.527 3.543 0.063 15 0 "[ . 1 . 2]" 1
655 1 58 SER QB 1 61 ASP HB2 3.570 . 5.340 3.297 2.019 5.405 0.065 15 0 "[ . 1 . 2]" 1
656 1 58 SER QB 1 61 ASP HB3 3.570 . 5.340 3.646 2.334 5.204 . 0 0 "[ . 1 . 2]" 1
657 1 58 SER HB2 1 59 PRO QD 3.650 . 5.500 3.537 2.413 3.998 . 0 0 "[ . 1 . 2]" 1
658 1 58 SER HB3 1 59 PRO QD 3.650 . 5.500 2.937 2.385 3.818 . 0 0 "[ . 1 . 2]" 1
659 1 59 PRO HA 1 60 TYR H 2.680 . 3.560 3.375 3.337 3.412 . 0 0 "[ . 1 . 2]" 1
660 1 59 PRO HA 1 62 LEU QD 3.650 . 5.500 2.755 2.015 3.998 . 0 0 "[ . 1 . 2]" 1
661 1 59 PRO HB2 1 60 TYR H 2.840 . 3.880 3.308 3.073 3.633 . 0 0 "[ . 1 . 2]" 1
662 1 59 PRO QD 1 60 TYR H 2.295 . 2.790 2.733 2.544 2.820 0.030 9 0 "[ . 1 . 2]" 1
663 1 60 TYR H 1 60 TYR HB2 2.365 . 2.930 2.739 2.598 2.816 . 0 0 "[ . 1 . 2]" 1
664 1 60 TYR H 1 60 TYR QB 2.155 . 2.510 2.297 2.210 2.378 . 0 0 "[ . 1 . 2]" 1
665 1 60 TYR H 1 60 TYR HB3 2.365 . 2.930 2.470 2.341 2.573 . 0 0 "[ . 1 . 2]" 1
666 1 60 TYR HA 1 61 ASP H 2.655 . 3.510 3.345 3.171 3.493 . 0 0 "[ . 1 . 2]" 1
667 1 60 TYR QB 1 61 ASP H 2.680 . 3.560 3.354 3.098 3.586 0.026 16 0 "[ . 1 . 2]" 1
668 1 61 ASP H 1 62 LEU H 2.490 . 3.180 2.624 2.283 3.095 . 0 0 "[ . 1 . 2]" 1
669 1 61 ASP H 1 62 LEU QD 3.650 . 5.500 3.662 2.672 5.174 . 0 0 "[ . 1 . 2]" 1
670 1 61 ASP HB2 1 62 LEU H 2.605 . 3.410 2.954 1.781 3.475 0.065 4 0 "[ . 1 . 2]" 1
671 1 61 ASP HB3 1 64 ARG H 3.650 . 5.500 3.454 1.926 4.837 . 0 0 "[ . 1 . 2]" 1
672 1 61 ASP HB3 1 64 ARG HB2 3.650 . 5.500 4.295 2.885 5.622 0.122 10 0 "[ . 1 . 2]" 1
673 1 61 ASP HB3 1 64 ARG HB3 3.650 . 5.500 4.754 2.012 5.660 0.160 12 0 "[ . 1 . 2]" 1
674 1 62 LEU H 1 62 LEU QD 3.650 . 5.500 2.979 2.224 4.207 . 0 0 "[ . 1 . 2]" 1
675 1 62 LEU H 1 62 LEU HG 3.650 . 5.500 4.138 3.624 4.766 . 0 0 "[ . 1 . 2]" 1
676 1 62 LEU H 1 63 THR H 2.365 . 2.930 2.769 2.591 3.044 0.114 11 0 "[ . 1 . 2]" 1
677 1 62 LEU H 1 63 THR MG 3.650 . 5.500 4.303 3.906 5.205 . 0 0 "[ . 1 . 2]" 1
678 1 62 LEU H 1 64 ARG H 2.980 . 4.160 3.630 3.042 3.866 . 0 0 "[ . 1 . 2]" 1
679 1 62 LEU HA 1 62 LEU QD 3.650 . 5.500 2.592 2.088 3.132 . 0 0 "[ . 1 . 2]" 1
680 1 62 LEU QB 1 63 THR MG 3.570 . 5.340 4.471 3.928 5.336 . 0 0 "[ . 1 . 2]" 1
681 1 63 THR H 1 63 THR MG 2.230 . 2.660 2.311 2.024 3.088 0.428 9 0 "[ . 1 . 2]" 1
682 1 63 THR H 1 64 ARG H 2.180 . 2.560 1.850 1.768 2.128 0.032 19 0 "[ . 1 . 2]" 1
683 1 63 THR MG 1 64 ARG H 2.685 . 3.570 2.889 2.566 3.324 . 0 0 "[ . 1 . 2]" 1
684 1 63 THR MG 1 64 ARG QB 3.570 . 5.340 3.145 2.406 4.233 . 0 0 "[ . 1 . 2]" 1
685 1 63 THR MG 1 64 ARG QD 3.570 . 5.340 3.013 1.950 5.193 . 0 0 "[ . 1 . 2]" 1
686 1 63 THR MG 1 64 ARG HG2 3.650 . 5.500 4.115 1.864 5.056 . 0 0 "[ . 1 . 2]" 1
687 1 63 THR MG 1 64 ARG HG3 3.650 . 5.500 4.464 3.318 5.392 . 0 0 "[ . 1 . 2]" 1
688 1 64 ARG H 1 64 ARG QD 3.260 . 4.720 3.718 2.936 4.863 0.143 6 0 "[ . 1 . 2]" 1
689 1 64 ARG H 1 64 ARG HG2 3.650 . 5.500 4.281 2.294 5.000 . 0 0 "[ . 1 . 2]" 1
690 1 64 ARG H 1 64 ARG HG3 3.650 . 5.500 4.303 3.507 4.934 . 0 0 "[ . 1 . 2]" 1
691 1 64 ARG HA 1 64 ARG HD2 3.650 . 5.500 3.596 2.111 4.868 . 0 0 "[ . 1 . 2]" 1
692 1 64 ARG HA 1 64 ARG HD3 3.650 . 5.500 3.117 2.000 4.364 . 0 0 "[ . 1 . 2]" 1
693 1 65 GLY QA 1 66 ARG H 2.080 . 2.360 2.244 2.199 2.300 . 0 0 "[ . 1 . 2]" 1
694 1 65 GLY QA 1 66 ARG HA 3.570 . 5.340 3.942 3.898 4.032 . 0 0 "[ . 1 . 2]" 1
695 1 65 GLY QA 1 66 ARG HB2 3.570 . 5.340 4.060 3.833 4.583 . 0 0 "[ . 1 . 2]" 1
696 1 65 GLY QA 1 66 ARG HB3 3.570 . 5.340 4.247 3.473 4.375 . 0 0 "[ . 1 . 2]" 1
697 1 65 GLY HA2 1 66 ARG H 2.330 . 2.860 2.567 2.343 2.735 . 0 0 "[ . 1 . 2]" 1
698 1 65 GLY HA3 1 66 ARG H 2.330 . 2.860 2.502 2.318 2.697 . 0 0 "[ . 1 . 2]" 1
699 1 66 ARG H 1 66 ARG HB3 2.420 . 3.040 2.692 2.474 2.790 . 0 0 "[ . 1 . 2]" 1
700 1 66 ARG H 1 66 ARG HG2 3.650 . 5.500 4.463 4.260 4.700 . 0 0 "[ . 1 . 2]" 1
701 1 66 ARG H 1 66 ARG HG3 3.650 . 5.500 4.758 3.401 4.970 . 0 0 "[ . 1 . 2]" 1
702 1 66 ARG HA 1 67 ILE H 2.115 . 2.430 2.211 2.134 2.347 . 0 0 "[ . 1 . 2]" 1
703 1 66 ARG HB2 1 67 ILE H 3.650 . 5.500 4.143 3.841 4.379 . 0 0 "[ . 1 . 2]" 1
704 1 66 ARG HB3 1 67 ILE H 3.650 . 5.500 4.036 3.773 4.454 . 0 0 "[ . 1 . 2]" 1
705 1 66 ARG HB3 1 67 ILE HA 3.650 . 5.500 4.934 4.611 5.523 0.023 1 0 "[ . 1 . 2]" 1
706 1 66 ARG HB3 1 68 THR MG 3.650 . 5.500 3.997 3.146 5.536 0.036 1 0 "[ . 1 . 2]" 1
707 1 66 ARG QD 1 67 ILE MD 3.570 . 5.340 5.170 4.388 5.455 0.115 8 0 "[ . 1 . 2]" 1
708 1 66 ARG QD 1 67 ILE MG 3.570 . 5.340 5.084 4.333 5.420 0.080 4 0 "[ . 1 . 2]" 1
709 1 66 ARG QD 1 68 THR HA 3.570 . 5.340 4.093 3.281 4.883 . 0 0 "[ . 1 . 2]" 1
710 1 66 ARG HD2 1 68 THR MG 3.650 . 5.500 2.887 1.930 4.667 . 0 0 "[ . 1 . 2]" 1
711 1 66 ARG HD3 1 68 THR MG 3.650 . 5.500 3.702 2.638 5.557 0.057 17 0 "[ . 1 . 2]" 1
712 1 66 ARG QG 1 68 THR MG 3.570 . 5.340 3.514 2.449 4.570 . 0 0 "[ . 1 . 2]" 1
713 1 67 ILE H 1 67 ILE HB 2.105 . 2.410 2.413 2.341 2.470 0.060 12 0 "[ . 1 . 2]" 1
714 1 67 ILE H 1 67 ILE MD 2.710 . 3.620 2.417 2.024 3.483 . 0 0 "[ . 1 . 2]" 1
715 1 67 ILE H 1 67 ILE HG12 3.650 . 5.500 4.252 4.053 4.376 . 0 0 "[ . 1 . 2]" 1
716 1 67 ILE H 1 67 ILE HG13 3.650 . 5.500 3.705 2.760 4.239 . 0 0 "[ . 1 . 2]" 1
717 1 67 ILE H 1 67 ILE MG 3.650 . 5.500 3.729 3.673 3.809 . 0 0 "[ . 1 . 2]" 1
718 1 67 ILE HA 1 67 ILE MD 3.650 . 5.500 2.943 2.441 3.706 . 0 0 "[ . 1 . 2]" 1
719 1 67 ILE MD 1 68 THR H 3.375 . 4.950 4.651 4.264 4.971 0.021 5 0 "[ . 1 . 2]" 1
720 1 67 ILE HG13 1 68 THR H 2.860 . 3.920 3.999 3.886 4.135 0.215 16 0 "[ . 1 . 2]" 1
721 1 67 ILE MG 1 68 THR H 3.650 . 5.500 2.839 2.679 3.009 . 0 0 "[ . 1 . 2]" 1
722 1 67 ILE MG 1 69 TYR H 3.650 . 5.500 2.447 2.249 2.926 . 0 0 "[ . 1 . 2]" 1
723 1 67 ILE MG 1 70 ARG HB2 3.650 . 5.500 4.639 3.451 5.468 . 0 0 "[ . 1 . 2]" 1
724 1 67 ILE MG 1 70 ARG QB 3.570 . 5.340 3.521 2.786 4.853 . 0 0 "[ . 1 . 2]" 1
725 1 67 ILE MG 1 70 ARG HB3 3.650 . 5.500 3.792 2.840 5.428 . 0 0 "[ . 1 . 2]" 1
726 1 68 THR H 1 68 THR MG 2.355 . 2.910 2.933 2.590 3.074 0.164 5 0 "[ . 1 . 2]" 1
727 1 68 THR H 1 69 TYR H 2.215 . 2.630 2.095 1.991 2.334 . 0 0 "[ . 1 . 2]" 1
728 1 68 THR MG 1 69 TYR H 3.650 . 5.500 4.191 4.015 4.303 . 0 0 "[ . 1 . 2]" 1
729 1 69 TYR H 1 69 TYR HB2 2.520 . 3.240 3.161 2.399 3.306 0.066 6 0 "[ . 1 . 2]" 1
730 1 69 TYR H 1 69 TYR QB 2.245 . 2.690 2.610 2.359 2.720 0.030 2 0 "[ . 1 . 2]" 1
731 1 69 TYR H 1 69 TYR HB3 2.520 . 3.240 2.823 2.641 3.483 0.243 8 0 "[ . 1 . 2]" 1
732 1 69 TYR HA 1 70 ARG H 2.110 . 2.420 2.280 2.089 2.428 0.008 9 0 "[ . 1 . 2]" 1
733 1 69 TYR QB 1 70 ARG H 2.875 . 3.950 3.402 2.179 3.643 . 0 0 "[ . 1 . 2]" 1
734 1 70 ARG H 1 71 TYR H 3.130 . 4.460 4.212 3.913 4.426 . 0 0 "[ . 1 . 2]" 1
735 1 70 ARG HA 1 71 TYR H 2.100 . 2.400 2.189 2.020 2.323 . 0 0 "[ . 1 . 2]" 1
736 1 70 ARG QB 1 71 TYR QB 3.280 . 4.760 4.760 4.323 4.966 0.206 2 0 "[ . 1 . 2]" 1
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