NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
614711 |
5jhj   |
30068 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5jhj
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 1178
_Distance_constraint_stats_list.Viol_count 1898
_Distance_constraint_stats_list.Viol_total 2084.016
_Distance_constraint_stats_list.Viol_max 0.307
_Distance_constraint_stats_list.Viol_rms 0.0197
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0549
_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 19 SER 0.018 0.018 1 0 "[ . 1 . 2]"
1 20 GLY 0.126 0.052 10 0 "[ . 1 . 2]"
1 21 ARG 0.535 0.137 4 0 "[ . 1 . 2]"
1 22 GLU 0.621 0.094 2 0 "[ . 1 . 2]"
1 23 ASN 0.591 0.094 2 0 "[ . 1 . 2]"
1 24 LEU 1.947 0.138 17 0 "[ . 1 . 2]"
1 25 TYR 1.372 0.138 17 0 "[ . 1 . 2]"
1 26 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLN 0.847 0.082 19 0 "[ . 1 . 2]"
1 28 GLY 0.747 0.082 19 0 "[ . 1 . 2]"
1 29 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 MET 0.667 0.181 13 0 "[ . 1 . 2]"
1 31 ALA 1.035 0.181 13 0 "[ . 1 . 2]"
1 32 ALA 0.368 0.082 5 0 "[ . 1 . 2]"
1 33 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ALA 1.790 0.170 18 0 "[ . 1 . 2]"
1 35 ARG 1.790 0.170 18 0 "[ . 1 . 2]"
1 36 SER 5.883 0.195 15 0 "[ . 1 . 2]"
1 37 CYS 0.530 0.046 11 0 "[ . 1 . 2]"
1 38 VAL 2.452 0.177 12 0 "[ . 1 . 2]"
1 39 TYR 0.005 0.003 2 0 "[ . 1 . 2]"
1 40 TYR 2.429 0.102 8 0 "[ . 1 . 2]"
1 41 ASP 2.752 0.154 18 0 "[ . 1 . 2]"
1 42 GLY 3.343 0.147 10 0 "[ . 1 . 2]"
1 43 HIS 2.918 0.147 10 0 "[ . 1 . 2]"
1 44 LEU 2.054 0.152 17 0 "[ . 1 . 2]"
1 45 PRO 0.468 0.064 1 0 "[ . 1 . 2]"
1 46 ALA 1.649 0.152 17 0 "[ . 1 . 2]"
1 47 THR 0.070 0.052 7 0 "[ . 1 . 2]"
1 48 ARG 1.996 0.154 18 0 "[ . 1 . 2]"
1 49 VAL 1.999 0.113 7 0 "[ . 1 . 2]"
1 50 LEU 0.222 0.040 10 0 "[ . 1 . 2]"
1 51 LEU 0.012 0.007 15 0 "[ . 1 . 2]"
1 52 MET 3.224 0.202 19 0 "[ . 1 . 2]"
1 53 TYR 1.407 0.064 5 0 "[ . 1 . 2]"
1 54 VAL 0.597 0.061 12 0 "[ . 1 . 2]"
1 55 ARG 3.753 0.172 3 0 "[ . 1 . 2]"
1 56 ILE 8.015 0.177 5 0 "[ . 1 . 2]"
1 57 GLY 3.322 0.122 6 0 "[ . 1 . 2]"
1 58 ASN 7.845 0.162 13 0 "[ . 1 . 2]"
1 59 THR 6.549 0.148 7 0 "[ . 1 . 2]"
1 60 ALA 4.480 0.143 7 0 "[ . 1 . 2]"
1 61 THR 0.933 0.103 2 0 "[ . 1 . 2]"
1 62 ILE 1.645 0.067 16 0 "[ . 1 . 2]"
1 63 THR 2.719 0.188 20 0 "[ . 1 . 2]"
1 64 ALA 0.041 0.017 13 0 "[ . 1 . 2]"
1 65 ARG 1.643 0.140 11 0 "[ . 1 . 2]"
1 66 GLY 1.209 0.133 9 0 "[ . 1 . 2]"
1 67 HIS 0.394 0.091 5 0 "[ . 1 . 2]"
1 68 GLU 3.944 0.188 20 0 "[ . 1 . 2]"
1 69 PHE 2.387 0.074 20 0 "[ . 1 . 2]"
1 70 GLU 3.296 0.149 20 0 "[ . 1 . 2]"
1 71 VAL 1.983 0.095 14 0 "[ . 1 . 2]"
1 72 GLU 2.199 0.119 3 0 "[ . 1 . 2]"
1 73 ALA 2.133 0.139 14 0 "[ . 1 . 2]"
1 74 LYS 2.780 0.197 7 0 "[ . 1 . 2]"
1 75 ASP 1.430 0.129 3 0 "[ . 1 . 2]"
1 76 GLN 0.091 0.056 19 0 "[ . 1 . 2]"
1 77 ASN 0.888 0.129 3 0 "[ . 1 . 2]"
1 78 CYS 0.840 0.121 9 0 "[ . 1 . 2]"
1 79 LYS 9.820 0.252 20 0 "[ . 1 . 2]"
1 80 VAL 3.191 0.174 8 0 "[ . 1 . 2]"
1 81 ILE 1.374 0.097 18 0 "[ . 1 . 2]"
1 82 LEU 7.311 0.307 13 0 "[ . 1 . 2]"
1 83 THR 3.514 0.307 13 0 "[ . 1 . 2]"
1 84 ASN 2.342 0.167 7 0 "[ . 1 . 2]"
1 85 GLY 3.195 0.185 18 0 "[ . 1 . 2]"
1 86 LYS 6.782 0.185 18 0 "[ . 1 . 2]"
1 87 GLN 2.666 0.135 6 0 "[ . 1 . 2]"
1 88 ALA 0.936 0.086 18 0 "[ . 1 . 2]"
1 89 PRO 1.981 0.104 5 0 "[ . 1 . 2]"
1 90 ASP 0.156 0.026 20 0 "[ . 1 . 2]"
1 91 TRP 5.075 0.120 10 0 "[ . 1 . 2]"
1 92 LEU 3.429 0.082 18 0 "[ . 1 . 2]"
1 93 ALA 1.773 0.068 18 0 "[ . 1 . 2]"
1 94 ALA 1.275 0.068 18 0 "[ . 1 . 2]"
1 95 GLU 1.527 0.118 10 0 "[ . 1 . 2]"
1 96 PRO 3.962 0.193 5 0 "[ . 1 . 2]"
1 97 TYR 5.583 0.195 15 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 19 SER HA 1 20 GLY H 2.700 . 3.600 2.475 2.165 3.618 0.018 1 0 "[ . 1 . 2]" 1
2 1 20 GLY H 1 21 ARG H 3.100 . 4.400 4.145 3.450 4.452 0.052 10 0 "[ . 1 . 2]" 1
3 1 20 GLY QA 1 21 ARG H 3.150 . 4.500 2.174 2.042 2.295 . 0 0 "[ . 1 . 2]" 1
4 1 21 ARG H 1 21 ARG HG3 3.100 . 4.400 3.374 2.331 4.537 0.137 4 0 "[ . 1 . 2]" 1
5 1 21 ARG HA 1 22 GLU H 2.700 . 3.600 2.159 1.934 2.511 . 0 0 "[ . 1 . 2]" 1
6 1 21 ARG H 1 22 GLU H 3.100 . 4.400 4.030 3.519 4.440 0.040 17 0 "[ . 1 . 2]" 1
7 1 21 ARG H 1 21 ARG HB2 3.100 . 4.400 3.105 2.430 3.933 . 0 0 "[ . 1 . 2]" 1
8 1 21 ARG HB2 1 22 GLU H 3.100 . 4.400 3.874 2.613 4.439 0.039 11 0 "[ . 1 . 2]" 1
9 1 21 ARG H 1 21 ARG HB3 3.100 . 4.400 3.537 2.762 3.894 . 0 0 "[ . 1 . 2]" 1
10 1 22 GLU HB3 1 23 ASN H 3.300 . 4.800 3.877 2.364 4.476 . 0 0 "[ . 1 . 2]" 1
11 1 22 GLU HG3 1 23 ASN H 3.300 . 4.800 4.401 2.892 4.894 0.094 2 0 "[ . 1 . 2]" 1
12 1 22 GLU H 1 22 GLU HB3 3.100 . 4.400 3.199 2.469 3.765 . 0 0 "[ . 1 . 2]" 1
13 1 22 GLU H 1 22 GLU HG3 3.100 . 4.400 3.510 2.442 4.449 0.049 20 0 "[ . 1 . 2]" 1
14 1 22 GLU HA 1 23 ASN H 2.700 . 3.600 2.140 1.951 2.391 . 0 0 "[ . 1 . 2]" 1
15 1 22 GLU HB2 1 23 ASN H 3.300 . 4.800 3.995 2.675 4.516 . 0 0 "[ . 1 . 2]" 1
16 1 22 GLU H 1 22 GLU HB2 3.100 . 4.400 2.939 2.394 3.891 . 0 0 "[ . 1 . 2]" 1
17 1 23 ASN H 1 24 LEU H 3.100 . 4.400 4.229 3.582 4.481 0.081 12 0 "[ . 1 . 2]" 1
18 1 23 ASN QB 1 24 LEU H 3.550 . 5.300 3.405 2.284 3.976 . 0 0 "[ . 1 . 2]" 1
19 1 24 LEU QB 1 25 TYR H 3.550 . 5.300 2.736 1.859 3.598 . 0 0 "[ . 1 . 2]" 1
20 1 24 LEU H 1 24 LEU QB 3.550 . 5.300 2.661 2.325 3.235 . 0 0 "[ . 1 . 2]" 1
21 1 24 LEU HA 1 25 TYR H 2.700 . 3.600 2.202 1.902 2.557 . 0 0 "[ . 1 . 2]" 1
22 1 24 LEU H 1 24 LEU HG 2.700 . 3.600 2.779 1.938 3.642 0.042 12 0 "[ . 1 . 2]" 1
23 1 24 LEU H 1 24 LEU QD 4.250 . 6.700 2.625 1.687 3.650 0.113 10 0 "[ . 1 . 2]" 1
24 1 24 LEU QD 1 25 TYR H 4.250 . 6.700 3.567 2.824 4.357 . 0 0 "[ . 1 . 2]" 1
25 1 24 LEU HG 1 25 TYR H 3.100 . 4.400 4.445 4.153 4.538 0.138 17 0 "[ . 1 . 2]" 1
26 1 25 TYR QD 1 26 PHE H 4.350 . 6.900 3.871 2.165 4.812 . 0 0 "[ . 1 . 2]" 1
27 1 25 TYR H 1 25 TYR QD 4.350 . 6.900 3.368 1.948 4.363 . 0 0 "[ . 1 . 2]" 1
28 1 26 PHE QB 1 27 GLN H 3.550 . 5.300 3.261 2.410 3.729 . 0 0 "[ . 1 . 2]" 1
29 1 26 PHE HA 1 27 GLN H 2.700 . 3.600 2.185 1.931 2.750 . 0 0 "[ . 1 . 2]" 1
30 1 26 PHE H 1 26 PHE QD 4.350 . 6.900 3.015 2.161 4.221 . 0 0 "[ . 1 . 2]" 1
31 1 26 PHE H 1 26 PHE QB 3.550 . 5.300 2.438 2.203 3.006 . 0 0 "[ . 1 . 2]" 1
32 1 27 GLN H 1 27 GLN HB3 3.100 . 4.400 3.265 2.416 3.942 . 0 0 "[ . 1 . 2]" 1
33 1 27 GLN HG3 1 28 GLY H 3.300 . 4.800 4.361 2.639 4.866 0.066 8 0 "[ . 1 . 2]" 1
34 1 27 GLN HB2 1 28 GLY H 3.100 . 4.400 3.874 2.377 4.409 0.009 4 0 "[ . 1 . 2]" 1
35 1 27 GLN H 1 28 GLY H 3.100 . 4.400 4.257 3.376 4.482 0.082 19 0 "[ . 1 . 2]" 1
36 1 27 GLN H 1 27 GLN HG3 3.100 . 4.400 3.248 1.990 4.478 0.078 20 0 "[ . 1 . 2]" 1
37 1 27 GLN H 1 27 GLN HB2 3.100 . 4.400 2.791 2.371 3.956 . 0 0 "[ . 1 . 2]" 1
38 1 27 GLN HA 1 28 GLY H 2.700 . 3.600 2.167 1.894 2.580 . 0 0 "[ . 1 . 2]" 1
39 1 27 GLN HB3 1 28 GLY H 3.100 . 4.400 3.568 2.118 4.373 . 0 0 "[ . 1 . 2]" 1
40 1 29 HIS HB2 1 30 MET H 3.300 . 4.800 4.070 3.044 4.420 . 0 0 "[ . 1 . 2]" 1
41 1 29 HIS H 1 29 HIS HB3 3.300 . 4.800 3.387 2.308 3.863 . 0 0 "[ . 1 . 2]" 1
42 1 29 HIS HB3 1 30 MET H 3.300 . 4.800 3.388 2.158 4.474 . 0 0 "[ . 1 . 2]" 1
43 1 29 HIS H 1 29 HIS HB2 3.300 . 4.800 2.624 2.437 3.690 . 0 0 "[ . 1 . 2]" 1
44 1 30 MET HG3 1 31 ALA H 3.100 . 4.400 3.760 1.793 4.581 0.181 13 0 "[ . 1 . 2]" 1
45 1 30 MET HB3 1 31 ALA H 3.100 . 4.400 3.354 1.928 4.425 0.025 2 0 "[ . 1 . 2]" 1
46 1 30 MET ME 1 31 ALA H 3.800 . 5.800 3.910 2.446 4.933 . 0 0 "[ . 1 . 2]" 1
47 1 30 MET HA 1 31 ALA H 2.700 . 3.600 2.316 1.891 2.655 . 0 0 "[ . 1 . 2]" 1
48 1 31 ALA H 1 32 ALA H 3.100 . 4.400 4.314 4.015 4.482 0.082 5 0 "[ . 1 . 2]" 1
49 1 31 ALA HA 1 32 ALA H 2.700 . 3.600 2.197 2.083 2.579 . 0 0 "[ . 1 . 2]" 1
50 1 33 PRO QB 1 34 ALA H 3.550 . 5.300 3.531 2.388 3.792 . 0 0 "[ . 1 . 2]" 1
51 1 33 PRO QG 1 34 ALA H 3.550 . 5.300 4.671 4.141 4.789 . 0 0 "[ . 1 . 2]" 1
52 1 34 ALA HA 1 36 SER H 3.300 . 4.800 4.574 4.383 4.799 . 0 0 "[ . 1 . 2]" 1
53 1 34 ALA HA 1 35 ARG H 2.300 . 2.800 2.888 2.848 2.970 0.170 18 0 "[ . 1 . 2]" 1
54 1 34 ALA H 1 35 ARG H 3.100 . 4.400 2.619 1.772 3.338 0.028 18 0 "[ . 1 . 2]" 1
55 1 35 ARG HA 1 36 SER H 3.100 . 4.400 2.944 2.700 3.174 . 0 0 "[ . 1 . 2]" 1
56 1 35 ARG H 1 36 SER H 2.700 . 3.600 2.863 2.609 3.052 . 0 0 "[ . 1 . 2]" 1
57 1 35 ARG H 1 35 ARG HA 2.700 . 3.600 2.268 2.214 2.321 . 0 0 "[ . 1 . 2]" 1
58 1 35 ARG H 1 35 ARG HB3 3.100 . 4.400 3.941 3.492 4.104 . 0 0 "[ . 1 . 2]" 1
59 1 35 ARG QB 1 36 SER H 3.550 . 5.300 3.817 3.651 3.931 . 0 0 "[ . 1 . 2]" 1
60 1 35 ARG H 1 35 ARG QG 3.150 . 4.500 3.033 2.415 4.103 . 0 0 "[ . 1 . 2]" 1
61 1 35 ARG H 1 35 ARG HB2 3.100 . 4.400 3.334 2.787 3.594 . 0 0 "[ . 1 . 2]" 1
62 1 35 ARG QG 1 36 SER H 3.550 . 5.300 4.515 4.381 4.676 . 0 0 "[ . 1 . 2]" 1
63 1 36 SER H 1 36 SER HB2 3.100 . 4.400 2.831 2.696 2.907 . 0 0 "[ . 1 . 2]" 1
64 1 36 SER HB3 1 97 TYR H 3.300 . 4.800 4.107 3.618 4.351 . 0 0 "[ . 1 . 2]" 1
65 1 36 SER H 1 37 CYS H 3.300 . 4.800 4.233 4.146 4.292 . 0 0 "[ . 1 . 2]" 1
66 1 36 SER HB2 1 37 CYS H 3.100 . 4.400 4.106 4.004 4.219 . 0 0 "[ . 1 . 2]" 1
67 1 36 SER HB3 1 37 CYS H 2.700 . 3.600 3.126 2.888 3.366 . 0 0 "[ . 1 . 2]" 1
68 1 36 SER H 1 36 SER HB3 3.100 . 4.400 3.877 3.794 3.929 . 0 0 "[ . 1 . 2]" 1
69 1 36 SER HB3 1 54 VAL H 3.100 . 4.400 3.717 3.306 4.389 . 0 0 "[ . 1 . 2]" 1
70 1 36 SER HA 1 54 VAL H 3.300 . 4.800 4.605 4.450 4.833 0.033 6 0 "[ . 1 . 2]" 1
71 1 36 SER HA 1 56 ILE H 2.700 . 3.600 2.326 2.200 2.542 . 0 0 "[ . 1 . 2]" 1
72 1 36 SER HB3 1 56 ILE H 3.100 . 4.400 4.539 4.474 4.577 0.177 5 0 "[ . 1 . 2]" 1
73 1 36 SER HA 1 37 CYS H 2.700 . 3.600 2.278 2.219 2.382 . 0 0 "[ . 1 . 2]" 1
74 1 36 SER H 1 56 ILE MD 3.800 . 5.800 3.160 2.519 3.448 . 0 0 "[ . 1 . 2]" 1
75 1 37 CYS H 1 54 VAL MG1 3.600 . 5.400 4.103 3.873 4.300 . 0 0 "[ . 1 . 2]" 1
76 1 37 CYS HA 1 95 GLU H 3.100 . 4.400 4.035 3.868 4.210 . 0 0 "[ . 1 . 2]" 1
77 1 37 CYS HA 1 38 VAL H 2.000 . 2.200 2.136 2.083 2.184 . 0 0 "[ . 1 . 2]" 1
78 1 37 CYS H 1 38 VAL H 3.100 . 4.400 4.305 4.277 4.344 . 0 0 "[ . 1 . 2]" 1
79 1 37 CYS HB3 1 38 VAL H 2.700 . 3.600 3.144 3.055 3.198 . 0 0 "[ . 1 . 2]" 1
80 1 37 CYS H 1 37 CYS HA 2.700 . 3.600 2.920 2.910 2.929 . 0 0 "[ . 1 . 2]" 1
81 1 37 CYS H 1 39 TYR QE 4.350 . 6.500 4.043 3.657 4.488 . 0 0 "[ . 1 . 2]" 1
82 1 37 CYS H 1 37 CYS HB3 2.700 . 3.600 3.626 3.608 3.646 0.046 11 0 "[ . 1 . 2]" 1
83 1 37 CYS HB2 1 54 VAL H 3.300 . 4.800 4.074 3.780 4.436 . 0 0 "[ . 1 . 2]" 1
84 1 37 CYS H 1 54 VAL MG2 3.600 . 5.400 4.548 4.516 4.607 . 0 0 "[ . 1 . 2]" 1
85 1 37 CYS H 1 37 CYS HB2 2.700 . 3.600 2.432 2.402 2.469 . 0 0 "[ . 1 . 2]" 1
86 1 37 CYS H 1 54 VAL H 2.700 . 3.600 3.167 2.989 3.358 . 0 0 "[ . 1 . 2]" 1
87 1 37 CYS H 1 56 ILE MD 3.800 . 5.800 3.108 2.603 4.024 . 0 0 "[ . 1 . 2]" 1
88 1 37 CYS H 1 56 ILE H 3.100 . 4.400 3.969 3.514 4.268 . 0 0 "[ . 1 . 2]" 1
89 1 37 CYS HB2 1 38 VAL H 3.100 . 4.400 4.143 4.088 4.215 . 0 0 "[ . 1 . 2]" 1
90 1 38 VAL HB 1 95 GLU H 3.100 . 4.400 3.167 2.963 3.259 . 0 0 "[ . 1 . 2]" 1
91 1 38 VAL MG2 1 95 GLU H 3.200 . 4.600 3.768 3.721 3.827 . 0 0 "[ . 1 . 2]" 1
92 1 38 VAL HA 1 39 TYR H 2.000 . 2.200 2.105 2.055 2.145 . 0 0 "[ . 1 . 2]" 1
93 1 38 VAL QG 1 52 MET H 4.250 . 6.700 3.755 3.402 4.389 . 0 0 "[ . 1 . 2]" 1
94 1 38 VAL MG1 1 95 GLU H 3.600 . 5.400 4.485 4.300 4.538 . 0 0 "[ . 1 . 2]" 1
95 1 38 VAL H 1 39 TYR QE 4.350 . 6.900 4.882 4.692 5.205 . 0 0 "[ . 1 . 2]" 1
96 1 38 VAL H 1 38 VAL HB 2.700 . 3.600 2.643 2.514 2.728 . 0 0 "[ . 1 . 2]" 1
97 1 38 VAL H 1 39 TYR H 3.300 . 4.800 4.256 4.185 4.315 . 0 0 "[ . 1 . 2]" 1
98 1 38 VAL HB 1 39 TYR H 3.100 . 4.400 4.083 3.981 4.281 . 0 0 "[ . 1 . 2]" 1
99 1 38 VAL H 1 94 ALA HA 3.300 . 4.800 3.843 3.704 4.018 . 0 0 "[ . 1 . 2]" 1
100 1 38 VAL MG1 1 39 TYR H 3.200 . 4.600 2.890 2.710 3.159 . 0 0 "[ . 1 . 2]" 1
101 1 38 VAL H 1 97 TYR QB 3.550 . 5.300 4.413 4.124 4.627 . 0 0 "[ . 1 . 2]" 1
102 1 38 VAL H 1 38 VAL MG1 3.200 . 4.600 3.774 3.732 3.803 . 0 0 "[ . 1 . 2]" 1
103 1 38 VAL H 1 97 TYR H 3.300 . 4.800 4.073 3.661 4.580 . 0 0 "[ . 1 . 2]" 1
104 1 38 VAL H 1 95 GLU H 2.700 . 3.600 2.478 2.341 2.676 . 0 0 "[ . 1 . 2]" 1
105 1 38 VAL MG1 1 97 TYR H 3.800 . 5.800 4.845 4.811 4.889 . 0 0 "[ . 1 . 2]" 1
106 1 38 VAL H 1 94 ALA MB 3.600 . 5.400 3.460 3.102 3.769 . 0 0 "[ . 1 . 2]" 1
107 1 38 VAL H 1 38 VAL MG2 3.200 . 4.600 2.071 1.954 2.184 . 0 0 "[ . 1 . 2]" 1
108 1 38 VAL MG2 1 39 TYR H 3.600 . 5.400 4.161 4.088 4.233 . 0 0 "[ . 1 . 2]" 1
109 1 39 TYR QD 1 93 ALA H 4.350 . 6.900 4.982 4.648 5.202 . 0 0 "[ . 1 . 2]" 1
110 1 39 TYR QD 1 40 TYR H 4.150 . 6.500 4.160 3.929 4.286 . 0 0 "[ . 1 . 2]" 1
111 1 39 TYR HA 1 40 TYR H 2.000 . 2.200 2.063 2.017 2.091 . 0 0 "[ . 1 . 2]" 1
112 1 39 TYR H 1 39 TYR QE 4.350 . 6.900 4.436 4.204 4.559 . 0 0 "[ . 1 . 2]" 1
113 1 39 TYR QE 1 54 VAL H 4.150 . 5.700 3.583 3.227 3.805 . 0 0 "[ . 1 . 2]" 1
114 1 39 TYR H 1 52 MET H 2.700 . 3.600 3.067 2.909 3.250 . 0 0 "[ . 1 . 2]" 1
115 1 39 TYR QE 1 81 ILE H 4.350 . 6.500 3.901 3.198 5.039 . 0 0 "[ . 1 . 2]" 1
116 1 39 TYR H 1 39 TYR QB 3.150 . 4.500 2.401 2.331 2.452 . 0 0 "[ . 1 . 2]" 1
117 1 39 TYR H 1 40 TYR H 3.300 . 4.800 4.415 4.351 4.458 . 0 0 "[ . 1 . 2]" 1
118 1 39 TYR QB 1 93 ALA H 3.750 . 5.700 4.709 4.523 4.801 . 0 0 "[ . 1 . 2]" 1
119 1 39 TYR HA 1 95 GLU H 3.100 . 4.400 3.992 3.863 4.123 . 0 0 "[ . 1 . 2]" 1
120 1 39 TYR QE 1 72 GLU H 4.350 . 6.900 5.231 4.863 5.585 . 0 0 "[ . 1 . 2]" 1
121 1 39 TYR H 1 39 TYR QD 3.750 . 5.700 2.230 2.162 2.346 . 0 0 "[ . 1 . 2]" 1
122 1 39 TYR QB 1 40 TYR H 3.150 . 4.500 3.054 2.976 3.131 . 0 0 "[ . 1 . 2]" 1
123 1 39 TYR QD 1 52 MET H 4.150 . 6.500 4.457 4.024 4.836 . 0 0 "[ . 1 . 2]" 1
124 1 39 TYR H 1 54 VAL MG2 3.600 . 5.400 3.826 3.451 4.168 . 0 0 "[ . 1 . 2]" 1
125 1 39 TYR QB 1 51 LEU H 3.750 . 5.700 4.083 3.737 4.375 . 0 0 "[ . 1 . 2]" 1
126 1 39 TYR QB 1 52 MET H 3.150 . 4.500 2.977 2.657 3.302 . 0 0 "[ . 1 . 2]" 1
127 1 40 TYR HB3 1 49 VAL H 3.100 . 4.400 2.783 2.721 2.837 . 0 0 "[ . 1 . 2]" 1
128 1 40 TYR QE 1 50 LEU H 4.150 . 6.500 3.965 3.487 4.695 . 0 0 "[ . 1 . 2]" 1
129 1 40 TYR HA 1 51 LEU H 2.700 . 3.600 2.566 2.420 2.786 . 0 0 "[ . 1 . 2]" 1
130 1 40 TYR H 1 40 TYR QD 4.150 . 6.500 3.033 2.770 3.346 . 0 0 "[ . 1 . 2]" 1
131 1 40 TYR H 1 40 TYR HB2 2.700 . 3.600 2.590 2.493 2.658 . 0 0 "[ . 1 . 2]" 1
132 1 40 TYR QD 1 50 LEU H 4.150 . 6.500 3.412 2.989 4.055 . 0 0 "[ . 1 . 2]" 1
133 1 40 TYR H 1 40 TYR HB3 2.700 . 3.600 3.674 3.636 3.702 0.102 8 0 "[ . 1 . 2]" 1
134 1 40 TYR HA 1 41 ASP H 2.300 . 2.800 2.161 2.081 2.324 . 0 0 "[ . 1 . 2]" 1
135 1 40 TYR H 1 40 TYR QE 4.350 . 6.900 5.118 4.955 5.291 . 0 0 "[ . 1 . 2]" 1
136 1 40 TYR HB3 1 41 ASP H 3.100 . 4.400 2.687 1.977 2.946 . 0 0 "[ . 1 . 2]" 1
137 1 40 TYR QD 1 95 GLU H 4.150 . 6.500 3.317 2.985 3.562 . 0 0 "[ . 1 . 2]" 1
138 1 40 TYR QD 1 51 LEU H 4.150 . 6.500 4.159 3.778 4.383 . 0 0 "[ . 1 . 2]" 1
139 1 40 TYR H 1 93 ALA MB 3.600 . 5.400 3.102 2.705 3.467 . 0 0 "[ . 1 . 2]" 1
140 1 40 TYR H 1 94 ALA MB 3.600 . 5.400 4.045 3.751 4.334 . 0 0 "[ . 1 . 2]" 1
141 1 40 TYR QD 1 49 VAL H 4.350 . 6.500 3.390 3.266 3.523 . 0 0 "[ . 1 . 2]" 1
142 1 40 TYR QE 1 95 GLU H 4.350 . 6.900 3.505 3.098 3.955 . 0 0 "[ . 1 . 2]" 1
143 1 40 TYR QD 1 41 ASP H 4.150 . 6.500 3.822 3.351 4.116 . 0 0 "[ . 1 . 2]" 1
144 1 40 TYR QB 1 93 ALA H 3.750 . 5.700 3.586 3.386 3.697 . 0 0 "[ . 1 . 2]" 1
145 1 40 TYR QD 1 48 ARG H 4.350 . 6.900 5.364 5.035 5.740 . 0 0 "[ . 1 . 2]" 1
146 1 40 TYR H 1 94 ALA HA 3.100 . 4.400 3.233 2.985 3.427 . 0 0 "[ . 1 . 2]" 1
147 1 40 TYR H 1 41 ASP H 3.300 . 4.800 4.269 4.221 4.309 . 0 0 "[ . 1 . 2]" 1
148 1 40 TYR HB2 1 49 VAL H 3.100 . 4.400 4.446 4.417 4.487 0.087 10 0 "[ . 1 . 2]" 1
149 1 40 TYR H 1 93 ALA H 3.100 . 4.400 3.090 2.957 3.213 . 0 0 "[ . 1 . 2]" 1
150 1 41 ASP H 1 49 VAL QG 3.850 . 5.900 3.566 3.473 3.683 . 0 0 "[ . 1 . 2]" 1
151 1 41 ASP H 1 41 ASP HB3 2.700 . 3.600 2.319 2.182 2.489 . 0 0 "[ . 1 . 2]" 1
152 1 41 ASP H 1 41 ASP HB2 2.700 . 3.600 2.835 2.708 3.133 . 0 0 "[ . 1 . 2]" 1
153 1 41 ASP H 1 51 LEU HG 2.700 . 3.600 2.550 2.286 3.141 . 0 0 "[ . 1 . 2]" 1
154 1 41 ASP H 1 49 VAL HB 3.100 . 4.400 2.846 2.674 3.078 . 0 0 "[ . 1 . 2]" 1
155 1 41 ASP HB3 1 49 VAL H 3.100 . 4.400 2.996 2.727 3.130 . 0 0 "[ . 1 . 2]" 1
156 1 41 ASP H 1 49 VAL H 3.100 . 4.400 2.413 1.981 2.624 . 0 0 "[ . 1 . 2]" 1
157 1 41 ASP HB3 1 42 GLY H 3.100 . 4.400 4.387 4.306 4.430 0.030 1 0 "[ . 1 . 2]" 1
158 1 41 ASP HB2 1 42 GLY H 3.300 . 4.800 4.466 4.347 4.533 . 0 0 "[ . 1 . 2]" 1
159 1 41 ASP QB 1 93 ALA H 3.750 . 5.700 5.132 5.066 5.187 . 0 0 "[ . 1 . 2]" 1
160 1 41 ASP H 1 51 LEU H 3.100 . 4.400 4.001 3.757 4.326 . 0 0 "[ . 1 . 2]" 1
161 1 41 ASP H 1 50 LEU HA 3.100 . 4.400 4.282 3.944 4.435 0.035 11 0 "[ . 1 . 2]" 1
162 1 41 ASP HA 1 93 ALA H 3.300 . 4.800 3.458 3.279 3.562 . 0 0 "[ . 1 . 2]" 1
163 1 41 ASP H 1 51 LEU MD1 3.600 . 5.400 3.284 2.979 3.767 . 0 0 "[ . 1 . 2]" 1
164 1 41 ASP HB2 1 49 VAL H 3.100 . 4.400 4.435 4.187 4.513 0.113 7 0 "[ . 1 . 2]" 1
165 1 41 ASP HA 1 42 GLY H 2.000 . 2.200 2.203 2.139 2.237 0.037 5 0 "[ . 1 . 2]" 1
166 1 41 ASP H 1 48 ARG HB2 3.300 . 4.800 4.432 3.891 4.954 0.154 18 0 "[ . 1 . 2]" 1
167 1 42 GLY H 1 91 TRP HE3 3.100 . 3.600 3.136 2.840 3.561 . 0 0 "[ . 1 . 2]" 1
168 1 42 GLY HA3 1 43 HIS H 2.300 . 2.800 2.909 2.871 2.947 0.147 10 0 "[ . 1 . 2]" 1
169 1 42 GLY H 1 93 ALA MB 3.600 . 5.400 3.626 3.233 3.917 . 0 0 "[ . 1 . 2]" 1
170 1 42 GLY H 1 92 LEU H 3.300 . 4.800 4.839 4.795 4.881 0.081 4 0 "[ . 1 . 2]" 1
171 1 42 GLY H 1 91 TRP QB 3.750 . 5.700 3.044 2.700 3.466 . 0 0 "[ . 1 . 2]" 1
172 1 42 GLY HA2 1 43 HIS H 2.300 . 2.800 1.997 1.842 2.210 . 0 0 "[ . 1 . 2]" 1
173 1 42 GLY H 1 43 HIS H 3.100 . 4.400 4.045 3.842 4.266 . 0 0 "[ . 1 . 2]" 1
174 1 42 GLY H 1 42 GLY HA2 2.700 . 3.600 2.828 2.781 2.911 . 0 0 "[ . 1 . 2]" 1
175 1 42 GLY H 1 42 GLY HA3 2.700 . 3.600 2.809 2.710 2.850 . 0 0 "[ . 1 . 2]" 1
176 1 42 GLY H 1 92 LEU MD1 3.800 . 5.800 4.614 4.455 4.694 . 0 0 "[ . 1 . 2]" 1
177 1 42 GLY H 1 91 TRP HA 3.100 . 4.400 3.483 3.064 3.770 . 0 0 "[ . 1 . 2]" 1
178 1 43 HIS H 1 43 HIS HB3 2.700 . 3.600 3.331 2.468 3.662 0.062 18 0 "[ . 1 . 2]" 1
179 1 43 HIS HA 1 44 LEU H 3.300 . 4.800 3.426 3.280 3.549 . 0 0 "[ . 1 . 2]" 1
180 1 43 HIS HB3 1 44 LEU H 3.100 . 4.400 3.635 2.642 4.265 . 0 0 "[ . 1 . 2]" 1
181 1 43 HIS H 1 43 HIS HB2 3.100 . 4.400 2.605 2.377 3.711 . 0 0 "[ . 1 . 2]" 1
182 1 43 HIS HB2 1 44 LEU H 3.100 . 4.400 3.187 2.309 4.179 . 0 0 "[ . 1 . 2]" 1
183 1 43 HIS H 1 43 HIS HD2 3.300 . 4.800 3.711 1.837 4.863 0.063 9 0 "[ . 1 . 2]" 1
184 1 43 HIS H 1 44 LEU H 2.700 . 3.600 2.179 1.996 2.388 . 0 0 "[ . 1 . 2]" 1
185 1 44 LEU QD 1 46 ALA H 4.250 . 6.700 3.579 1.772 4.175 0.028 11 0 "[ . 1 . 2]" 1
186 1 44 LEU HG 1 46 ALA H 3.100 . 4.400 4.319 1.888 4.552 0.152 17 0 "[ . 1 . 2]" 1
187 1 44 LEU H 1 45 PRO HD2 3.300 . 4.800 4.771 4.657 4.820 0.020 9 0 "[ . 1 . 2]" 1
188 1 44 LEU H 1 44 LEU HB2 2.700 . 3.600 2.623 2.334 3.112 . 0 0 "[ . 1 . 2]" 1
189 1 44 LEU H 1 44 LEU QD 4.250 . 6.700 2.944 2.320 3.948 . 0 0 "[ . 1 . 2]" 1
190 1 44 LEU H 1 44 LEU HG 3.100 . 4.400 3.933 2.632 4.523 0.123 11 0 "[ . 1 . 2]" 1
191 1 44 LEU H 1 44 LEU HA 2.700 . 3.600 2.931 2.885 2.960 . 0 0 "[ . 1 . 2]" 1
192 1 44 LEU H 1 48 ARG H 3.300 . 4.800 4.751 3.982 4.890 0.090 7 0 "[ . 1 . 2]" 1
193 1 44 LEU QD 1 47 THR H 4.250 . 6.700 3.645 2.992 4.491 . 0 0 "[ . 1 . 2]" 1
194 1 45 PRO HG2 1 46 ALA H 3.100 . 4.400 3.011 2.518 3.512 . 0 0 "[ . 1 . 2]" 1
195 1 45 PRO HA 1 46 ALA H 3.100 . 4.400 3.379 3.222 3.531 . 0 0 "[ . 1 . 2]" 1
196 1 45 PRO HG3 1 46 ALA H 3.100 . 4.400 4.345 4.019 4.464 0.064 1 0 "[ . 1 . 2]" 1
197 1 45 PRO HD3 1 46 ALA H 3.100 . 4.400 3.979 3.862 4.293 . 0 0 "[ . 1 . 2]" 1
198 1 45 PRO HD2 1 46 ALA H 3.100 . 4.400 2.948 2.771 3.463 . 0 0 "[ . 1 . 2]" 1
199 1 45 PRO HB3 1 46 ALA H 3.100 . 4.400 4.322 3.980 4.429 0.029 20 0 "[ . 1 . 2]" 1
200 1 45 PRO HB2 1 46 ALA H 3.100 . 4.400 3.604 2.658 3.981 . 0 0 "[ . 1 . 2]" 1
201 1 46 ALA H 1 47 THR MG 3.800 . 5.800 4.290 3.756 4.900 . 0 0 "[ . 1 . 2]" 1
202 1 46 ALA H 1 46 ALA HA 2.700 . 3.600 2.893 2.831 2.937 . 0 0 "[ . 1 . 2]" 1
203 1 46 ALA MB 1 47 THR H 3.200 . 4.600 2.695 2.144 3.088 . 0 0 "[ . 1 . 2]" 1
204 1 46 ALA H 1 48 ARG H 3.300 . 4.800 3.980 3.630 4.295 . 0 0 "[ . 1 . 2]" 1
205 1 46 ALA H 1 47 THR H 2.700 . 3.600 2.451 2.094 2.698 . 0 0 "[ . 1 . 2]" 1
206 1 46 ALA H 1 46 ALA MB 2.800 . 3.800 2.271 2.219 2.346 . 0 0 "[ . 1 . 2]" 1
207 1 46 ALA HA 1 47 THR H 3.100 . 4.400 3.521 3.383 3.617 . 0 0 "[ . 1 . 2]" 1
208 1 47 THR HA 1 48 ARG H 3.100 . 4.400 3.102 2.899 3.491 . 0 0 "[ . 1 . 2]" 1
209 1 47 THR H 1 47 THR MG 3.200 . 4.600 2.766 2.006 3.451 . 0 0 "[ . 1 . 2]" 1
210 1 47 THR H 1 47 THR HB 3.100 . 4.400 3.477 2.908 3.740 . 0 0 "[ . 1 . 2]" 1
211 1 47 THR H 1 47 THR HA 2.700 . 3.600 2.898 2.852 2.949 . 0 0 "[ . 1 . 2]" 1
212 1 47 THR H 1 48 ARG H 2.300 . 2.800 2.521 2.114 2.813 0.013 5 0 "[ . 1 . 2]" 1
213 1 47 THR HB 1 48 ARG H 3.100 . 4.400 4.238 3.109 4.452 0.052 7 0 "[ . 1 . 2]" 1
214 1 48 ARG HB2 1 49 VAL H 3.100 . 4.400 3.227 2.443 4.126 . 0 0 "[ . 1 . 2]" 1
215 1 48 ARG H 1 48 ARG HB2 2.700 . 3.600 3.443 2.429 3.635 0.035 8 0 "[ . 1 . 2]" 1
216 1 48 ARG H 1 49 VAL H 3.300 . 4.800 4.527 4.288 4.703 . 0 0 "[ . 1 . 2]" 1
217 1 48 ARG HB3 1 49 VAL H 3.100 . 4.400 3.884 2.739 4.227 . 0 0 "[ . 1 . 2]" 1
218 1 48 ARG H 1 48 ARG HG2 3.100 . 4.400 2.401 1.888 3.669 . 0 0 "[ . 1 . 2]" 1
219 1 48 ARG H 1 48 ARG HA 2.700 . 3.600 2.820 2.675 2.883 . 0 0 "[ . 1 . 2]" 1
220 1 48 ARG H 1 48 ARG HD3 3.100 . 4.400 4.002 2.194 4.500 0.100 20 0 "[ . 1 . 2]" 1
221 1 48 ARG H 1 48 ARG HE 3.100 . 4.400 4.304 3.356 4.489 0.089 15 0 "[ . 1 . 2]" 1
222 1 48 ARG H 1 48 ARG HB3 2.700 . 3.600 2.782 2.377 3.604 0.004 15 0 "[ . 1 . 2]" 1
223 1 48 ARG HA 1 49 VAL H 2.300 . 2.800 2.158 1.968 2.384 . 0 0 "[ . 1 . 2]" 1
224 1 48 ARG H 1 48 ARG HG3 3.100 . 4.400 3.018 1.931 3.990 . 0 0 "[ . 1 . 2]" 1
225 1 49 VAL QG 1 50 LEU H 3.850 . 5.900 2.669 2.454 2.936 . 0 0 "[ . 1 . 2]" 1
226 1 49 VAL H 1 49 VAL MG1 3.200 . 4.600 3.834 3.785 3.876 . 0 0 "[ . 1 . 2]" 1
227 1 49 VAL H 1 49 VAL HA 2.700 . 3.600 2.950 2.925 2.970 . 0 0 "[ . 1 . 2]" 1
228 1 49 VAL H 1 49 VAL HB 2.700 . 3.600 2.596 2.485 2.687 . 0 0 "[ . 1 . 2]" 1
229 1 49 VAL H 1 49 VAL MG2 3.200 . 4.600 2.539 2.287 2.714 . 0 0 "[ . 1 . 2]" 1
230 1 49 VAL HB 1 50 LEU H 3.100 . 4.400 4.089 3.912 4.268 . 0 0 "[ . 1 . 2]" 1
231 1 49 VAL HA 1 50 LEU H 2.000 . 2.200 2.185 2.093 2.240 0.040 10 0 "[ . 1 . 2]" 1
232 1 50 LEU HA 1 52 MET H 3.300 . 4.800 4.167 3.825 4.408 . 0 0 "[ . 1 . 2]" 1
233 1 50 LEU MD2 1 52 MET H 3.600 . 5.400 3.670 2.690 4.559 . 0 0 "[ . 1 . 2]" 1
234 1 50 LEU H 1 50 LEU HB2 2.700 . 3.600 2.472 2.307 2.746 . 0 0 "[ . 1 . 2]" 1
235 1 50 LEU H 1 50 LEU MD2 3.600 . 5.400 4.109 3.984 4.320 . 0 0 "[ . 1 . 2]" 1
236 1 50 LEU MD1 1 52 MET H 3.600 . 5.400 3.227 2.419 4.630 . 0 0 "[ . 1 . 2]" 1
237 1 50 LEU H 1 50 LEU MD1 3.600 . 5.400 4.235 4.165 4.309 . 0 0 "[ . 1 . 2]" 1
238 1 50 LEU H 1 50 LEU HB3 2.700 . 3.600 2.490 2.413 2.589 . 0 0 "[ . 1 . 2]" 1
239 1 50 LEU MD2 1 51 LEU H 3.600 . 5.400 3.292 2.551 4.615 . 0 0 "[ . 1 . 2]" 1
240 1 50 LEU HB3 1 51 LEU H 3.300 . 4.800 4.329 4.214 4.427 . 0 0 "[ . 1 . 2]" 1
241 1 50 LEU HA 1 51 LEU H 2.700 . 3.600 2.139 2.010 2.234 . 0 0 "[ . 1 . 2]" 1
242 1 50 LEU MD1 1 51 LEU H 3.600 . 5.400 3.105 2.350 4.577 . 0 0 "[ . 1 . 2]" 1
243 1 51 LEU MD2 1 52 MET H 3.600 . 5.400 4.524 4.504 4.546 . 0 0 "[ . 1 . 2]" 1
244 1 51 LEU MD1 1 52 MET H 3.600 . 5.400 4.210 4.065 4.433 . 0 0 "[ . 1 . 2]" 1
245 1 51 LEU HB2 1 52 MET H 2.700 . 3.600 2.246 2.123 2.460 . 0 0 "[ . 1 . 2]" 1
246 1 51 LEU H 1 51 LEU MD2 3.600 . 5.400 3.471 3.278 3.615 . 0 0 "[ . 1 . 2]" 1
247 1 51 LEU HG 1 52 MET H 3.100 . 4.400 4.192 4.088 4.260 . 0 0 "[ . 1 . 2]" 1
248 1 51 LEU H 1 51 LEU HB2 2.700 . 3.600 2.456 2.413 2.493 . 0 0 "[ . 1 . 2]" 1
249 1 51 LEU H 1 51 LEU HG 2.700 . 3.600 2.562 2.411 2.662 . 0 0 "[ . 1 . 2]" 1
250 1 51 LEU H 1 52 MET H 2.700 . 3.600 2.480 2.275 2.606 . 0 0 "[ . 1 . 2]" 1
251 1 51 LEU HA 1 52 MET H 3.100 . 4.400 3.566 3.519 3.595 . 0 0 "[ . 1 . 2]" 1
252 1 51 LEU H 1 51 LEU MD1 3.600 . 5.400 3.766 3.695 3.836 . 0 0 "[ . 1 . 2]" 1
253 1 51 LEU HB3 1 52 MET H 2.700 . 3.600 3.318 3.194 3.607 0.007 15 0 "[ . 1 . 2]" 1
254 1 51 LEU H 1 51 LEU HB3 3.100 . 4.400 3.623 3.582 3.646 . 0 0 "[ . 1 . 2]" 1
255 1 52 MET H 1 53 TYR H 3.100 . 4.400 4.257 4.165 4.337 . 0 0 "[ . 1 . 2]" 1
256 1 52 MET H 1 52 MET HA 2.700 . 3.600 2.853 2.789 2.918 . 0 0 "[ . 1 . 2]" 1
257 1 52 MET H 1 52 MET HG3 3.100 . 4.400 4.172 3.398 4.602 0.202 19 0 "[ . 1 . 2]" 1
258 1 52 MET HB2 1 53 TYR H 3.100 . 4.400 3.408 2.095 4.117 . 0 0 "[ . 1 . 2]" 1
259 1 52 MET H 1 52 MET HB2 3.100 . 4.400 3.529 3.012 4.089 . 0 0 "[ . 1 . 2]" 1
260 1 52 MET H 1 52 MET HB3 3.100 . 4.400 3.278 2.838 3.735 . 0 0 "[ . 1 . 2]" 1
261 1 52 MET HA 1 53 TYR H 2.000 . 2.200 2.240 2.204 2.264 0.064 5 0 "[ . 1 . 2]" 1
262 1 52 MET HB3 1 53 TYR H 3.100 . 4.400 3.601 2.872 4.020 . 0 0 "[ . 1 . 2]" 1
263 1 52 MET HG3 1 53 TYR H 2.700 . 3.600 3.059 2.460 3.639 0.039 17 0 "[ . 1 . 2]" 1
264 1 53 TYR H 1 53 TYR QD 3.750 . 5.700 2.435 2.180 2.777 . 0 0 "[ . 1 . 2]" 1
265 1 53 TYR H 1 53 TYR HB2 2.700 . 3.600 2.412 2.328 2.466 . 0 0 "[ . 1 . 2]" 1
266 1 53 TYR H 1 53 TYR HB3 2.700 . 3.600 3.613 3.570 3.635 0.035 8 0 "[ . 1 . 2]" 1
267 1 53 TYR HB3 1 54 VAL H 2.700 . 3.600 3.271 2.990 3.487 . 0 0 "[ . 1 . 2]" 1
268 1 53 TYR H 1 54 VAL H 3.300 . 4.800 4.433 4.287 4.524 . 0 0 "[ . 1 . 2]" 1
269 1 53 TYR HA 1 54 VAL H 2.000 . 2.200 2.209 2.175 2.223 0.023 7 0 "[ . 1 . 2]" 1
270 1 53 TYR HB2 1 54 VAL H 3.100 . 4.400 4.203 4.057 4.302 . 0 0 "[ . 1 . 2]" 1
271 1 54 VAL MG1 1 55 ARG H 3.200 . 4.600 2.738 2.301 3.107 . 0 0 "[ . 1 . 2]" 1
272 1 54 VAL MG2 1 55 ARG H 3.600 . 5.400 4.123 3.966 4.263 . 0 0 "[ . 1 . 2]" 1
273 1 54 VAL MG1 1 60 ALA H 3.600 . 5.400 3.545 3.278 3.931 . 0 0 "[ . 1 . 2]" 1
274 1 54 VAL HA 1 55 ARG H 2.000 . 2.200 2.207 2.144 2.261 0.061 12 0 "[ . 1 . 2]" 1
275 1 54 VAL H 1 54 VAL MG1 3.600 . 5.400 3.876 3.829 3.913 . 0 0 "[ . 1 . 2]" 1
276 1 54 VAL QG 1 71 VAL H 4.450 . 7.100 4.536 4.236 4.900 . 0 0 "[ . 1 . 2]" 1
277 1 54 VAL H 1 55 ARG H 3.100 . 4.400 4.244 4.085 4.360 . 0 0 "[ . 1 . 2]" 1
278 1 54 VAL H 1 54 VAL MG2 3.200 . 4.600 2.599 2.471 2.730 . 0 0 "[ . 1 . 2]" 1
279 1 54 VAL MG1 1 58 ASN QD 4.050 . 6.300 3.173 2.666 4.236 . 0 0 "[ . 1 . 2]" 1
280 1 54 VAL QG 1 73 ALA H 3.850 . 5.900 2.824 2.354 3.194 . 0 0 "[ . 1 . 2]" 1
281 1 54 VAL MG1 1 58 ASN H 3.600 . 5.400 3.505 3.112 3.714 . 0 0 "[ . 1 . 2]" 1
282 1 54 VAL QG 1 72 GLU H 4.450 . 7.100 4.977 4.477 5.210 . 0 0 "[ . 1 . 2]" 1
283 1 54 VAL H 1 54 VAL HA 2.700 . 3.600 2.937 2.926 2.944 . 0 0 "[ . 1 . 2]" 1
284 1 54 VAL HB 1 55 ARG H 3.100 . 4.400 4.106 3.858 4.259 . 0 0 "[ . 1 . 2]" 1
285 1 54 VAL MG2 1 60 ALA H 3.600 . 5.400 4.234 3.962 4.364 . 0 0 "[ . 1 . 2]" 1
286 1 55 ARG HA 1 56 ILE H 2.300 . 2.800 2.139 2.013 2.218 . 0 0 "[ . 1 . 2]" 1
287 1 55 ARG H 1 56 ILE H 3.100 . 4.400 4.474 4.435 4.504 0.104 20 0 "[ . 1 . 2]" 1
288 1 55 ARG H 1 55 ARG HA 2.700 . 3.600 2.834 2.777 2.931 . 0 0 "[ . 1 . 2]" 1
289 1 55 ARG H 1 55 ARG HD3 3.300 . 4.800 4.612 3.713 4.861 0.061 3 0 "[ . 1 . 2]" 1
290 1 55 ARG HB3 1 58 ASN H 3.100 . 4.400 4.144 3.562 4.429 0.029 8 0 "[ . 1 . 2]" 1
291 1 55 ARG HG3 1 56 ILE H 3.100 . 4.400 3.498 2.505 4.572 0.172 3 0 "[ . 1 . 2]" 1
292 1 55 ARG HB3 1 56 ILE H 3.100 . 4.400 3.728 2.702 4.172 . 0 0 "[ . 1 . 2]" 1
293 1 55 ARG HB3 1 58 ASN QD 3.150 . 4.500 3.189 2.565 4.055 . 0 0 "[ . 1 . 2]" 1
294 1 55 ARG H 1 55 ARG HB3 2.700 . 3.600 2.691 2.279 3.575 . 0 0 "[ . 1 . 2]" 1
295 1 55 ARG H 1 55 ARG HG3 3.300 . 4.800 4.383 3.808 4.567 . 0 0 "[ . 1 . 2]" 1
296 1 55 ARG H 1 58 ASN HB2 3.100 . 4.400 4.356 4.019 4.445 0.045 3 0 "[ . 1 . 2]" 1
297 1 55 ARG HD3 1 56 ILE H 3.100 . 4.400 4.018 2.323 4.539 0.139 12 0 "[ . 1 . 2]" 1
298 1 55 ARG H 1 58 ASN HB3 3.100 . 4.400 3.146 2.802 3.386 . 0 0 "[ . 1 . 2]" 1
299 1 55 ARG H 1 58 ASN QD 3.550 . 5.300 2.855 2.217 4.569 . 0 0 "[ . 1 . 2]" 1
300 1 56 ILE MG 1 57 GLY H 3.200 . 4.600 2.656 2.431 2.780 . 0 0 "[ . 1 . 2]" 1
301 1 56 ILE HB 1 57 GLY H 3.100 . 4.400 4.033 3.894 4.251 . 0 0 "[ . 1 . 2]" 1
302 1 56 ILE HA 1 57 GLY H 2.100 . 2.400 2.029 1.923 2.092 . 0 0 "[ . 1 . 2]" 1
303 1 56 ILE H 1 57 GLY H 3.300 . 4.800 4.449 4.386 4.535 . 0 0 "[ . 1 . 2]" 1
304 1 56 ILE H 1 56 ILE HB 2.300 . 2.800 2.793 2.543 2.842 0.042 14 0 "[ . 1 . 2]" 1
305 1 56 ILE H 1 56 ILE MD 3.600 . 5.400 3.266 2.985 3.823 . 0 0 "[ . 1 . 2]" 1
306 1 56 ILE MG 1 58 ASN H 3.600 . 5.400 4.348 4.132 4.401 . 0 0 "[ . 1 . 2]" 1
307 1 56 ILE HG12 1 57 GLY H 3.300 . 4.800 4.850 3.857 4.922 0.122 6 0 "[ . 1 . 2]" 1
308 1 56 ILE H 1 56 ILE MG 3.600 . 5.400 3.906 3.845 3.954 . 0 0 "[ . 1 . 2]" 1
309 1 56 ILE H 1 56 ILE HG12 2.700 . 3.600 2.148 1.873 3.612 0.012 10 0 "[ . 1 . 2]" 1
310 1 56 ILE H 1 56 ILE HA 2.700 . 3.600 2.866 2.801 2.915 . 0 0 "[ . 1 . 2]" 1
311 1 56 ILE HA 1 58 ASN H 2.700 . 3.600 3.270 3.057 3.441 . 0 0 "[ . 1 . 2]" 1
312 1 56 ILE MD 1 76 GLN H 3.600 . 5.400 3.390 3.199 3.696 . 0 0 "[ . 1 . 2]" 1
313 1 56 ILE MG 1 75 ASP H 3.200 . 4.600 3.589 3.375 3.703 . 0 0 "[ . 1 . 2]" 1
314 1 56 ILE MG 1 76 GLN H 3.600 . 5.400 3.418 2.972 3.726 . 0 0 "[ . 1 . 2]" 1
315 1 56 ILE MD 1 75 ASP H 3.600 . 5.400 3.718 3.129 4.087 . 0 0 "[ . 1 . 2]" 1
316 1 56 ILE MD 1 57 GLY H 3.800 . 5.800 3.968 3.650 4.867 . 0 0 "[ . 1 . 2]" 1
317 1 57 GLY HA2 1 58 ASN H 2.700 . 3.600 3.193 2.904 3.408 . 0 0 "[ . 1 . 2]" 1
318 1 57 GLY H 1 58 ASN HB3 3.100 . 4.400 4.461 4.341 4.511 0.111 4 0 "[ . 1 . 2]" 1
319 1 57 GLY H 1 57 GLY HA3 2.700 . 3.600 2.946 2.930 2.957 . 0 0 "[ . 1 . 2]" 1
320 1 57 GLY H 1 57 GLY HA2 2.700 . 3.600 2.414 2.371 2.484 . 0 0 "[ . 1 . 2]" 1
321 1 57 GLY H 1 74 LYS HA 3.100 . 4.400 3.854 2.854 4.437 0.037 13 0 "[ . 1 . 2]" 1
322 1 57 GLY H 1 73 ALA MB 3.200 . 4.600 2.744 2.207 3.362 . 0 0 "[ . 1 . 2]" 1
323 1 57 GLY H 1 58 ASN H 2.300 . 2.800 2.177 2.039 2.387 . 0 0 "[ . 1 . 2]" 1
324 1 57 GLY HA3 1 58 ASN H 2.700 . 3.600 3.235 2.987 3.454 . 0 0 "[ . 1 . 2]" 1
325 1 57 GLY H 1 73 ALA H 3.300 . 4.800 4.178 3.678 4.574 . 0 0 "[ . 1 . 2]" 1
326 1 58 ASN H 1 73 ALA MB 3.200 . 4.600 2.952 2.514 3.520 . 0 0 "[ . 1 . 2]" 1
327 1 58 ASN H 1 58 ASN HB3 2.700 . 3.600 2.472 2.244 2.747 . 0 0 "[ . 1 . 2]" 1
328 1 58 ASN H 1 58 ASN HA 2.700 . 3.600 2.929 2.900 2.951 . 0 0 "[ . 1 . 2]" 1
329 1 58 ASN HB2 1 59 THR H 2.700 . 3.600 3.719 3.692 3.748 0.148 7 0 "[ . 1 . 2]" 1
330 1 58 ASN H 1 73 ALA H 3.100 . 4.400 3.864 3.283 4.382 . 0 0 "[ . 1 . 2]" 1
331 1 58 ASN HB3 1 58 ASN QD 3.150 . 4.500 2.381 2.215 3.275 . 0 0 "[ . 1 . 2]" 1
332 1 58 ASN HA 1 58 ASN QD 3.750 . 5.700 4.022 2.924 4.145 . 0 0 "[ . 1 . 2]" 1
333 1 58 ASN HB3 1 59 THR H 2.700 . 3.600 3.561 3.373 3.678 0.078 2 0 "[ . 1 . 2]" 1
334 1 58 ASN H 1 58 ASN HB2 2.700 . 3.600 2.970 2.696 3.266 . 0 0 "[ . 1 . 2]" 1
335 1 58 ASN HA 1 59 THR H 2.000 . 2.200 2.230 2.201 2.247 0.047 10 0 "[ . 1 . 2]" 1
336 1 58 ASN H 1 59 THR H 3.100 . 4.400 4.344 4.241 4.428 0.028 15 0 "[ . 1 . 2]" 1
337 1 59 THR MG 1 60 ALA H 3.200 . 4.600 3.508 3.406 3.666 . 0 0 "[ . 1 . 2]" 1
338 1 59 THR H 1 60 ALA H 3.100 . 4.400 4.403 4.348 4.433 0.033 10 0 "[ . 1 . 2]" 1
339 1 59 THR HA 1 73 ALA H 2.700 . 3.600 2.995 2.808 3.191 . 0 0 "[ . 1 . 2]" 1
340 1 59 THR HA 1 60 ALA H 2.000 . 2.200 2.215 2.167 2.264 0.064 3 0 "[ . 1 . 2]" 1
341 1 59 THR MG 1 73 ALA H 3.600 . 5.400 3.816 3.354 4.159 . 0 0 "[ . 1 . 2]" 1
342 1 59 THR H 1 59 THR MG 3.200 . 4.600 2.953 2.852 3.186 . 0 0 "[ . 1 . 2]" 1
343 1 59 THR HB 1 60 ALA H 2.100 . 2.400 2.498 2.443 2.543 0.143 7 0 "[ . 1 . 2]" 1
344 1 59 THR H 1 59 THR HB 2.700 . 3.600 3.632 3.571 3.664 0.064 7 0 "[ . 1 . 2]" 1
345 1 59 THR H 1 59 THR HA 2.700 . 3.600 2.942 2.925 2.960 . 0 0 "[ . 1 . 2]" 1
346 1 60 ALA H 1 71 VAL MG2 3.200 . 4.600 2.621 2.427 2.903 . 0 0 "[ . 1 . 2]" 1
347 1 60 ALA H 1 60 ALA MB 3.200 . 4.600 2.766 2.636 2.860 . 0 0 "[ . 1 . 2]" 1
348 1 60 ALA H 1 70 GLU HG3 3.100 . 4.400 3.946 3.278 4.417 0.017 7 0 "[ . 1 . 2]" 1
349 1 60 ALA H 1 70 GLU HA 3.100 . 4.400 4.209 3.900 4.410 0.010 8 0 "[ . 1 . 2]" 1
350 1 60 ALA H 1 71 VAL H 2.700 . 3.600 2.924 2.689 3.113 . 0 0 "[ . 1 . 2]" 1
351 1 60 ALA H 1 71 VAL MG1 3.800 . 5.800 4.708 4.337 4.896 . 0 0 "[ . 1 . 2]" 1
352 1 60 ALA MB 1 61 THR H 2.800 . 3.800 2.782 2.374 3.089 . 0 0 "[ . 1 . 2]" 1
353 1 60 ALA HA 1 61 THR H 2.000 . 2.200 2.155 1.987 2.252 0.052 7 0 "[ . 1 . 2]" 1
354 1 60 ALA H 1 61 THR H 3.100 . 4.400 4.271 4.028 4.400 0.000 7 0 "[ . 1 . 2]" 1
355 1 60 ALA H 1 73 ALA H 3.100 . 4.400 4.486 4.427 4.539 0.139 14 0 "[ . 1 . 2]" 1
356 1 60 ALA H 1 60 ALA HA 2.700 . 3.600 2.916 2.885 2.951 . 0 0 "[ . 1 . 2]" 1
357 1 61 THR H 1 61 THR MG 3.600 . 5.400 3.732 3.568 3.834 . 0 0 "[ . 1 . 2]" 1
358 1 61 THR H 1 62 ILE H 3.300 . 4.800 4.242 4.117 4.370 . 0 0 "[ . 1 . 2]" 1
359 1 61 THR HB 1 62 ILE H 3.300 . 4.800 4.264 4.185 4.350 . 0 0 "[ . 1 . 2]" 1
360 1 61 THR HA 1 62 ILE H 2.000 . 2.200 2.183 2.073 2.249 0.049 11 0 "[ . 1 . 2]" 1
361 1 61 THR HA 1 69 PHE H 3.100 . 4.400 4.199 3.941 4.430 0.030 4 0 "[ . 1 . 2]" 1
362 1 61 THR HA 1 71 VAL H 3.100 . 4.400 3.483 3.155 3.880 . 0 0 "[ . 1 . 2]" 1
363 1 61 THR H 1 70 GLU HG3 3.300 . 4.800 4.389 3.187 4.903 0.103 2 0 "[ . 1 . 2]" 1
364 1 61 THR H 1 61 THR HB 2.700 . 3.600 2.616 2.514 2.739 . 0 0 "[ . 1 . 2]" 1
365 1 61 THR H 1 61 THR HA 2.700 . 3.600 2.894 2.798 2.957 . 0 0 "[ . 1 . 2]" 1
366 1 62 ILE H 1 62 ILE MG 3.600 . 5.400 3.816 3.781 3.848 . 0 0 "[ . 1 . 2]" 1
367 1 62 ILE H 1 62 ILE HG13 3.300 . 4.800 3.686 3.608 3.789 . 0 0 "[ . 1 . 2]" 1
368 1 62 ILE H 1 68 GLU HA 3.300 . 4.800 4.133 3.940 4.232 . 0 0 "[ . 1 . 2]" 1
369 1 62 ILE H 1 70 GLU HA 3.100 . 4.400 3.088 2.748 3.387 . 0 0 "[ . 1 . 2]" 1
370 1 62 ILE H 1 71 VAL MG1 3.800 . 5.800 3.896 3.411 4.352 . 0 0 "[ . 1 . 2]" 1
371 1 62 ILE HB 1 63 THR H 3.100 . 4.400 4.186 4.093 4.290 . 0 0 "[ . 1 . 2]" 1
372 1 62 ILE H 1 71 VAL MG2 3.800 . 5.800 4.036 3.607 4.512 . 0 0 "[ . 1 . 2]" 1
373 1 62 ILE MD 1 69 PHE H 3.800 . 5.800 4.927 4.896 4.969 . 0 0 "[ . 1 . 2]" 1
374 1 62 ILE MG 1 69 PHE H 3.800 . 5.800 4.038 3.790 4.301 . 0 0 "[ . 1 . 2]" 1
375 1 62 ILE H 1 71 VAL H 3.100 . 4.400 3.875 3.593 4.201 . 0 0 "[ . 1 . 2]" 1
376 1 62 ILE H 1 62 ILE HG12 3.300 . 4.800 2.165 2.068 2.313 . 0 0 "[ . 1 . 2]" 1
377 1 62 ILE H 1 62 ILE HB 2.700 . 3.600 2.671 2.525 2.809 . 0 0 "[ . 1 . 2]" 1
378 1 62 ILE H 1 62 ILE HA 2.700 . 3.600 2.954 2.935 2.984 . 0 0 "[ . 1 . 2]" 1
379 1 62 ILE MD 1 63 THR H 3.600 . 5.400 4.244 4.072 4.377 . 0 0 "[ . 1 . 2]" 1
380 1 62 ILE HG13 1 69 PHE H 3.300 . 4.800 4.826 4.786 4.858 0.058 19 0 "[ . 1 . 2]" 1
381 1 62 ILE MG 1 64 ALA H 3.800 . 5.800 3.947 3.579 4.294 . 0 0 "[ . 1 . 2]" 1
382 1 62 ILE MG 1 63 THR H 3.200 . 4.600 3.162 2.996 3.240 . 0 0 "[ . 1 . 2]" 1
383 1 62 ILE HA 1 63 THR H 2.000 . 2.200 2.245 2.227 2.267 0.067 16 0 "[ . 1 . 2]" 1
384 1 62 ILE H 1 63 THR H 3.300 . 4.800 4.281 4.212 4.373 . 0 0 "[ . 1 . 2]" 1
385 1 62 ILE H 1 62 ILE MD 3.800 . 5.800 3.078 2.903 3.339 . 0 0 "[ . 1 . 2]" 1
386 1 63 THR HA 1 67 HIS H 3.100 . 4.400 4.187 3.980 4.409 0.009 15 0 "[ . 1 . 2]" 1
387 1 63 THR HA 1 69 PHE H 3.100 . 4.400 3.486 3.384 3.709 . 0 0 "[ . 1 . 2]" 1
388 1 63 THR MG 1 67 HIS H 3.600 . 5.400 3.411 3.121 3.885 . 0 0 "[ . 1 . 2]" 1
389 1 63 THR MG 1 66 GLY H 3.600 . 5.400 2.916 2.663 3.186 . 0 0 "[ . 1 . 2]" 1
390 1 63 THR HB 1 64 ALA H 3.100 . 4.400 4.173 4.060 4.296 . 0 0 "[ . 1 . 2]" 1
391 1 63 THR H 1 64 ALA H 3.100 . 4.400 4.370 4.338 4.400 . 7 0 "[ . 1 . 2]" 1
392 1 63 THR MG 1 64 ALA H 3.200 . 4.600 2.862 2.742 2.974 . 0 0 "[ . 1 . 2]" 1
393 1 63 THR HA 1 64 ALA H 2.000 . 2.200 2.124 2.052 2.198 . 0 0 "[ . 1 . 2]" 1
394 1 63 THR H 1 68 GLU HG3 3.100 . 4.400 4.430 4.318 4.483 0.083 16 0 "[ . 1 . 2]" 1
395 1 63 THR H 1 63 THR HB 2.700 . 3.600 2.571 2.409 2.700 . 0 0 "[ . 1 . 2]" 1
396 1 63 THR H 1 63 THR HA 2.700 . 3.600 2.920 2.895 2.939 . 0 0 "[ . 1 . 2]" 1
397 1 63 THR H 1 63 THR MG 3.600 . 5.400 3.804 3.710 3.846 . 0 0 "[ . 1 . 2]" 1
398 1 64 ALA H 1 64 ALA MB 3.200 . 4.600 2.631 2.575 2.673 . 0 0 "[ . 1 . 2]" 1
399 1 64 ALA H 1 67 HIS HB3 3.300 . 4.800 4.721 4.573 4.817 0.017 13 0 "[ . 1 . 2]" 1
400 1 64 ALA MB 1 67 HIS H 3.600 . 5.400 4.112 4.012 4.217 . 0 0 "[ . 1 . 2]" 1
401 1 64 ALA MB 1 65 ARG H 3.200 . 4.600 3.156 3.048 3.220 . 0 0 "[ . 1 . 2]" 1
402 1 64 ALA H 1 69 PHE QD 4.150 . 6.500 3.636 3.303 4.295 . 0 0 "[ . 1 . 2]" 1
403 1 64 ALA H 1 67 HIS HB2 3.100 . 4.400 3.532 3.158 3.765 . 0 0 "[ . 1 . 2]" 1
404 1 64 ALA H 1 68 GLU HA 3.100 . 4.400 3.546 3.373 3.743 . 0 0 "[ . 1 . 2]" 1
405 1 64 ALA H 1 69 PHE QE 4.150 . 6.500 3.439 3.197 3.833 . 0 0 "[ . 1 . 2]" 1
406 1 64 ALA H 1 67 HIS H 2.700 . 3.600 2.781 2.600 3.017 . 0 0 "[ . 1 . 2]" 1
407 1 64 ALA H 1 66 GLY H 3.100 . 4.400 3.600 3.483 3.781 . 0 0 "[ . 1 . 2]" 1
408 1 65 ARG H 1 67 HIS H 3.300 . 4.800 4.077 3.974 4.223 . 0 0 "[ . 1 . 2]" 1
409 1 65 ARG HA 1 67 HIS H 3.100 . 4.400 4.370 4.254 4.491 0.091 5 0 "[ . 1 . 2]" 1
410 1 65 ARG HG3 1 66 GLY H 3.300 . 4.800 4.792 4.635 4.933 0.133 9 0 "[ . 1 . 2]" 1
411 1 65 ARG HB2 1 66 GLY H 3.300 . 4.800 4.050 3.903 4.445 . 0 0 "[ . 1 . 2]" 1
412 1 65 ARG H 1 66 GLY H 2.700 . 3.600 2.523 2.423 2.640 . 0 0 "[ . 1 . 2]" 1
413 1 65 ARG HB3 1 66 GLY H 3.300 . 4.800 4.346 3.965 4.426 . 0 0 "[ . 1 . 2]" 1
414 1 65 ARG H 1 65 ARG HG2 3.100 . 4.400 3.627 3.234 4.540 0.140 11 0 "[ . 1 . 2]" 1
415 1 65 ARG HA 1 66 GLY H 2.300 . 2.800 2.839 2.756 2.874 0.074 13 0 "[ . 1 . 2]" 1
416 1 65 ARG H 1 65 ARG HG3 3.100 . 4.400 3.071 2.802 4.310 . 0 0 "[ . 1 . 2]" 1
417 1 65 ARG H 1 65 ARG HB2 3.300 . 4.800 3.523 3.030 3.652 . 0 0 "[ . 1 . 2]" 1
418 1 65 ARG H 1 65 ARG HA 2.700 . 3.600 2.228 2.165 2.264 . 0 0 "[ . 1 . 2]" 1
419 1 66 GLY HA3 1 67 HIS H 3.100 . 4.400 3.339 3.205 3.453 . 0 0 "[ . 1 . 2]" 1
420 1 66 GLY HA2 1 67 HIS H 3.100 . 4.400 3.221 2.910 3.375 . 0 0 "[ . 1 . 2]" 1
421 1 66 GLY H 1 67 HIS H 2.700 . 3.600 2.510 2.375 2.693 . 0 0 "[ . 1 . 2]" 1
422 1 66 GLY H 1 66 GLY HA2 2.700 . 3.600 2.342 2.285 2.369 . 0 0 "[ . 1 . 2]" 1
423 1 66 GLY H 1 66 GLY HA3 2.700 . 3.600 2.902 2.866 2.930 . 0 0 "[ . 1 . 2]" 1
424 1 67 HIS HA 1 68 GLU H 2.000 . 2.200 2.204 2.153 2.232 0.032 10 0 "[ . 1 . 2]" 1
425 1 67 HIS H 1 69 PHE QE 4.150 . 6.500 4.308 4.016 4.777 . 0 0 "[ . 1 . 2]" 1
426 1 67 HIS H 1 67 HIS HD2 3.100 . 4.400 2.867 2.360 3.352 . 0 0 "[ . 1 . 2]" 1
427 1 67 HIS H 1 67 HIS HA 2.700 . 3.600 2.945 2.928 2.969 . 0 0 "[ . 1 . 2]" 1
428 1 67 HIS HB3 1 68 GLU H 2.700 . 3.600 3.272 2.808 3.420 . 0 0 "[ . 1 . 2]" 1
429 1 67 HIS HB2 1 68 GLU H 3.100 . 4.400 4.158 3.854 4.315 . 0 0 "[ . 1 . 2]" 1
430 1 67 HIS H 1 67 HIS HB3 3.100 . 4.400 3.705 3.653 3.841 . 0 0 "[ . 1 . 2]" 1
431 1 67 HIS H 1 67 HIS HB2 2.700 . 3.600 2.553 2.450 2.749 . 0 0 "[ . 1 . 2]" 1
432 1 68 GLU H 1 68 GLU HB2 2.700 . 3.600 2.399 2.230 2.526 . 0 0 "[ . 1 . 2]" 1
433 1 68 GLU H 1 68 GLU HB3 2.700 . 3.600 3.590 3.460 3.660 0.060 11 0 "[ . 1 . 2]" 1
434 1 68 GLU H 1 69 PHE QD 4.350 . 6.900 5.308 5.036 5.492 . 0 0 "[ . 1 . 2]" 1
435 1 68 GLU HB3 1 69 PHE H 3.100 . 4.400 3.364 3.130 3.557 . 0 0 "[ . 1 . 2]" 1
436 1 68 GLU HG3 1 69 PHE H 3.100 . 4.400 4.331 4.097 4.474 0.074 20 0 "[ . 1 . 2]" 1
437 1 68 GLU H 1 68 GLU HG3 2.700 . 3.600 3.598 3.244 3.727 0.127 6 0 "[ . 1 . 2]" 1
438 1 68 GLU H 1 68 GLU HA 2.700 . 3.600 2.886 2.849 2.929 . 0 0 "[ . 1 . 2]" 1
439 1 68 GLU H 1 69 PHE H 3.100 . 4.400 4.388 4.256 4.465 0.065 13 0 "[ . 1 . 2]" 1
440 1 68 GLU HB2 1 69 PHE H 3.100 . 4.400 4.288 4.127 4.439 0.039 18 0 "[ . 1 . 2]" 1
441 1 68 GLU HA 1 69 PHE H 2.000 . 2.200 2.160 2.093 2.211 0.011 6 0 "[ . 1 . 2]" 1
442 1 69 PHE QD 1 70 GLU H 4.150 . 6.500 4.634 4.435 4.813 . 0 0 "[ . 1 . 2]" 1
443 1 69 PHE HB3 1 70 GLU H 3.100 . 4.400 3.782 3.595 3.942 . 0 0 "[ . 1 . 2]" 1
444 1 69 PHE HA 1 70 GLU H 2.000 . 2.200 2.222 2.165 2.250 0.050 15 0 "[ . 1 . 2]" 1
445 1 69 PHE HB2 1 70 GLU H 3.100 . 4.400 4.354 4.239 4.408 0.008 16 0 "[ . 1 . 2]" 1
446 1 69 PHE H 1 70 GLU H 3.100 . 4.400 4.093 3.875 4.263 . 0 0 "[ . 1 . 2]" 1
447 1 69 PHE H 1 69 PHE QD 3.750 . 5.700 2.752 2.615 3.082 . 0 0 "[ . 1 . 2]" 1
448 1 69 PHE H 1 69 PHE HB3 2.700 . 3.600 3.633 3.605 3.674 0.074 20 0 "[ . 1 . 2]" 1
449 1 69 PHE H 1 69 PHE HB2 3.100 . 4.400 2.481 2.407 2.574 . 0 0 "[ . 1 . 2]" 1
450 1 69 PHE H 1 69 PHE HA 2.700 . 3.600 2.930 2.908 2.954 . 0 0 "[ . 1 . 2]" 1
451 1 70 GLU HB3 1 83 THR H 3.100 . 4.400 3.750 3.538 4.083 . 0 0 "[ . 1 . 2]" 1
452 1 70 GLU H 1 83 THR MG 3.800 . 5.800 4.542 4.019 4.736 . 0 0 "[ . 1 . 2]" 1
453 1 70 GLU HB3 1 71 VAL H 3.100 . 4.400 4.192 4.092 4.275 . 0 0 "[ . 1 . 2]" 1
454 1 70 GLU H 1 70 GLU HB2 2.700 . 3.600 2.666 2.373 2.900 . 0 0 "[ . 1 . 2]" 1
455 1 70 GLU H 1 70 GLU HB3 2.700 . 3.600 2.646 2.530 2.809 . 0 0 "[ . 1 . 2]" 1
456 1 70 GLU H 1 70 GLU QG 3.550 . 5.300 4.011 3.926 4.076 . 0 0 "[ . 1 . 2]" 1
457 1 70 GLU H 1 70 GLU HA 2.700 . 3.600 2.901 2.888 2.922 . 0 0 "[ . 1 . 2]" 1
458 1 70 GLU H 1 71 VAL H 3.100 . 4.400 4.240 4.159 4.326 . 0 0 "[ . 1 . 2]" 1
459 1 70 GLU HB2 1 71 VAL H 3.100 . 4.400 4.373 4.215 4.458 0.058 12 0 "[ . 1 . 2]" 1
460 1 70 GLU HA 1 71 VAL H 2.000 . 2.200 2.054 1.936 2.143 . 0 0 "[ . 1 . 2]" 1
461 1 71 VAL HA 1 83 THR H 2.700 . 3.600 2.441 2.088 2.618 . 0 0 "[ . 1 . 2]" 1
462 1 71 VAL MG2 1 72 GLU H 3.600 . 5.400 3.238 3.020 3.453 . 0 0 "[ . 1 . 2]" 1
463 1 71 VAL MG1 1 72 GLU H 3.200 . 4.600 3.650 3.451 3.850 . 0 0 "[ . 1 . 2]" 1
464 1 71 VAL MG2 1 83 THR H 3.800 . 5.800 4.963 4.857 5.010 . 0 0 "[ . 1 . 2]" 1
465 1 71 VAL HA 1 72 GLU H 2.000 . 2.200 2.248 2.222 2.275 0.075 5 0 "[ . 1 . 2]" 1
466 1 71 VAL MG2 1 81 ILE H 3.800 . 5.800 4.845 4.765 4.895 . 0 0 "[ . 1 . 2]" 1
467 1 71 VAL H 1 72 GLU H 3.300 . 4.800 4.436 4.344 4.508 . 0 0 "[ . 1 . 2]" 1
468 1 71 VAL H 1 83 THR MG 3.800 . 5.800 3.614 3.257 4.258 . 0 0 "[ . 1 . 2]" 1
469 1 71 VAL MG1 1 83 THR H 3.600 . 5.400 4.117 3.676 4.410 . 0 0 "[ . 1 . 2]" 1
470 1 71 VAL MG1 1 81 ILE H 3.800 . 5.800 3.874 3.373 4.241 . 0 0 "[ . 1 . 2]" 1
471 1 71 VAL QG 1 73 ALA H 4.450 . 7.100 3.415 3.034 3.937 . 0 0 "[ . 1 . 2]" 1
472 1 71 VAL H 1 71 VAL MG2 3.200 . 4.600 2.019 1.841 2.291 . 0 0 "[ . 1 . 2]" 1
473 1 71 VAL H 1 71 VAL MG1 3.200 . 4.600 2.631 2.352 2.887 . 0 0 "[ . 1 . 2]" 1
474 1 71 VAL H 1 71 VAL HA 2.700 . 3.600 2.960 2.942 2.985 . 0 0 "[ . 1 . 2]" 1
475 1 72 GLU H 1 81 ILE H 3.300 . 4.800 3.976 3.569 4.546 . 0 0 "[ . 1 . 2]" 1
476 1 72 GLU H 1 83 THR H 3.100 . 4.400 3.799 3.253 4.401 0.001 5 0 "[ . 1 . 2]" 1
477 1 72 GLU H 1 83 THR MG 3.600 . 5.400 3.807 3.268 4.501 . 0 0 "[ . 1 . 2]" 1
478 1 72 GLU H 1 72 GLU HB2 2.700 . 3.600 3.115 2.975 3.284 . 0 0 "[ . 1 . 2]" 1
479 1 72 GLU H 1 72 GLU HB3 2.700 . 3.600 2.657 2.487 2.836 . 0 0 "[ . 1 . 2]" 1
480 1 72 GLU H 1 72 GLU HA 2.700 . 3.600 2.918 2.902 2.937 . 0 0 "[ . 1 . 2]" 1
481 1 72 GLU H 1 74 LYS H 3.300 . 4.800 4.812 4.555 4.919 0.119 3 0 "[ . 1 . 2]" 1
482 1 72 GLU HB3 1 73 ALA H 3.300 . 4.800 4.309 4.091 4.462 . 0 0 "[ . 1 . 2]" 1
483 1 72 GLU H 1 82 LEU HA 3.100 . 4.400 3.242 2.844 3.882 . 0 0 "[ . 1 . 2]" 1
484 1 72 GLU H 1 73 ALA H 3.100 . 4.400 3.970 3.793 4.147 . 0 0 "[ . 1 . 2]" 1
485 1 72 GLU HB2 1 73 ALA H 3.100 . 4.400 4.399 4.260 4.456 0.056 11 0 "[ . 1 . 2]" 1
486 1 72 GLU HG3 1 73 ALA H 3.100 . 4.400 3.649 3.207 4.013 . 0 0 "[ . 1 . 2]" 1
487 1 72 GLU HA 1 73 ALA H 2.000 . 2.200 2.134 2.062 2.173 . 0 0 "[ . 1 . 2]" 1
488 1 73 ALA H 1 74 LYS H 3.300 . 4.800 3.968 3.774 4.093 . 0 0 "[ . 1 . 2]" 1
489 1 73 ALA H 1 73 ALA MB 3.200 . 4.600 2.317 2.262 2.349 . 0 0 "[ . 1 . 2]" 1
490 1 74 LYS HG3 1 75 ASP H 3.100 . 4.400 3.689 1.803 4.488 0.088 6 0 "[ . 1 . 2]" 1
491 1 74 LYS QB 1 75 ASP H 3.150 . 4.500 2.778 2.124 3.815 . 0 0 "[ . 1 . 2]" 1
492 1 74 LYS HA 1 75 ASP H 3.100 . 4.400 3.523 3.457 3.562 . 0 0 "[ . 1 . 2]" 1
493 1 74 LYS H 1 74 LYS HG3 3.100 . 4.400 3.242 1.901 4.370 . 0 0 "[ . 1 . 2]" 1
494 1 74 LYS H 1 74 LYS HG2 2.700 . 3.600 2.165 1.813 3.797 0.197 7 0 "[ . 1 . 2]" 1
495 1 74 LYS H 1 74 LYS HB3 2.700 . 3.600 3.199 2.029 3.603 0.003 9 0 "[ . 1 . 2]" 1
496 1 74 LYS H 1 74 LYS HB2 2.700 . 3.600 3.004 2.413 3.660 0.060 3 0 "[ . 1 . 2]" 1
497 1 74 LYS H 1 74 LYS HA 2.700 . 3.600 2.833 2.780 2.884 . 0 0 "[ . 1 . 2]" 1
498 1 74 LYS H 1 75 ASP H 2.300 . 2.800 2.672 2.316 2.855 0.055 6 0 "[ . 1 . 2]" 1
499 1 74 LYS HG2 1 75 ASP H 3.100 . 4.400 3.640 2.835 4.501 0.101 18 0 "[ . 1 . 2]" 1
500 1 75 ASP H 1 75 ASP HA 2.700 . 3.600 2.906 2.860 2.956 . 0 0 "[ . 1 . 2]" 1
501 1 75 ASP H 1 76 GLN H 3.100 . 4.400 4.327 4.213 4.410 0.010 18 0 "[ . 1 . 2]" 1
502 1 75 ASP H 1 75 ASP QB 3.150 . 4.500 2.685 2.476 3.243 . 0 0 "[ . 1 . 2]" 1
503 1 75 ASP HA 1 76 GLN H 2.300 . 2.800 2.385 2.181 2.589 . 0 0 "[ . 1 . 2]" 1
504 1 75 ASP QB 1 76 GLN H 3.150 . 4.500 3.114 2.018 3.620 . 0 0 "[ . 1 . 2]" 1
505 1 75 ASP H 1 77 ASN H 3.100 . 4.400 4.304 3.468 4.529 0.129 3 0 "[ . 1 . 2]" 1
506 1 75 ASP H 1 78 CYS H 3.100 . 4.400 4.002 3.409 4.411 0.011 13 0 "[ . 1 . 2]" 1
507 1 76 GLN HA 1 78 CYS H 3.100 . 4.400 3.295 2.635 3.640 . 0 0 "[ . 1 . 2]" 1
508 1 76 GLN QB 1 77 ASN H 3.550 . 5.300 3.666 3.118 4.047 . 0 0 "[ . 1 . 2]" 1
509 1 76 GLN QG 1 77 ASN H 3.550 . 5.300 3.857 2.487 4.767 . 0 0 "[ . 1 . 2]" 1
510 1 76 GLN HA 1 77 ASN H 3.100 . 4.400 3.210 2.864 3.442 . 0 0 "[ . 1 . 2]" 1
511 1 76 GLN QB 1 78 CYS H 3.750 . 5.700 4.590 4.127 4.818 . 0 0 "[ . 1 . 2]" 1
512 1 76 GLN H 1 77 ASN H 2.700 . 3.600 2.737 2.435 3.045 . 0 0 "[ . 1 . 2]" 1
513 1 76 GLN H 1 76 GLN HA 2.700 . 3.600 2.839 2.785 2.896 . 0 0 "[ . 1 . 2]" 1
514 1 76 GLN H 1 76 GLN QG 3.150 . 4.500 2.142 1.744 3.169 0.056 19 0 "[ . 1 . 2]" 1
515 1 76 GLN H 1 76 GLN QB 3.150 . 4.500 2.662 2.369 2.950 . 0 0 "[ . 1 . 2]" 1
516 1 77 ASN H 1 77 ASN HB2 2.700 . 3.600 2.575 2.327 3.646 0.046 8 0 "[ . 1 . 2]" 1
517 1 77 ASN H 1 77 ASN HB3 2.700 . 3.600 3.020 2.361 3.658 0.058 3 0 "[ . 1 . 2]" 1
518 1 77 ASN HB2 1 78 CYS H 3.100 . 4.400 3.553 2.350 4.337 . 0 0 "[ . 1 . 2]" 1
519 1 77 ASN HB3 1 78 CYS H 3.100 . 4.400 3.371 2.399 4.096 . 0 0 "[ . 1 . 2]" 1
520 1 77 ASN HA 1 78 CYS H 3.100 . 4.400 3.369 3.024 3.480 . 0 0 "[ . 1 . 2]" 1
521 1 77 ASN H 1 77 ASN HA 2.700 . 3.600 2.867 2.815 2.927 . 0 0 "[ . 1 . 2]" 1
522 1 77 ASN HA 1 77 ASN QD 3.750 . 5.700 3.325 2.023 4.204 . 0 0 "[ . 1 . 2]" 1
523 1 77 ASN HB2 1 77 ASN QD 3.150 . 4.500 2.635 2.161 3.341 . 0 0 "[ . 1 . 2]" 1
524 1 77 ASN H 1 79 LYS H 3.300 . 4.800 4.499 3.820 4.762 . 0 0 "[ . 1 . 2]" 1
525 1 77 ASN HB3 1 77 ASN QD 3.150 . 4.500 2.785 2.197 3.354 . 0 0 "[ . 1 . 2]" 1
526 1 77 ASN H 1 78 CYS H 2.300 . 2.800 2.316 2.050 2.522 . 0 0 "[ . 1 . 2]" 1
527 1 77 ASN H 1 77 ASN QD 3.550 . 5.300 3.844 2.282 4.582 . 0 0 "[ . 1 . 2]" 1
528 1 78 CYS HA 1 79 LYS H 2.300 . 2.800 2.727 2.442 2.921 0.121 9 0 "[ . 1 . 2]" 1
529 1 78 CYS H 1 78 CYS HB2 3.100 . 4.400 3.466 3.378 3.558 . 0 0 "[ . 1 . 2]" 1
530 1 78 CYS H 1 78 CYS HB3 3.100 . 4.400 3.979 3.916 4.038 . 0 0 "[ . 1 . 2]" 1
531 1 78 CYS HB2 1 79 LYS H 3.300 . 4.800 4.355 4.152 4.547 . 0 0 "[ . 1 . 2]" 1
532 1 78 CYS HB3 1 79 LYS H 3.100 . 4.400 4.406 4.313 4.442 0.042 20 0 "[ . 1 . 2]" 1
533 1 78 CYS H 1 79 LYS H 2.700 . 3.600 2.882 2.646 3.047 . 0 0 "[ . 1 . 2]" 1
534 1 78 CYS H 1 78 CYS HA 2.300 . 2.800 2.166 2.120 2.221 . 0 0 "[ . 1 . 2]" 1
535 1 79 LYS HG2 1 80 VAL H 3.100 . 4.400 4.350 2.282 4.541 0.141 13 0 "[ . 1 . 2]" 1
536 1 79 LYS HD2 1 80 VAL H 3.100 . 4.400 4.342 3.775 4.574 0.174 8 0 "[ . 1 . 2]" 1
537 1 79 LYS QB 1 80 VAL H 3.150 . 4.500 3.088 2.503 3.657 . 0 0 "[ . 1 . 2]" 1
538 1 79 LYS H 1 81 ILE MD 3.600 . 5.400 4.058 3.531 4.531 . 0 0 "[ . 1 . 2]" 1
539 1 79 LYS H 1 79 LYS QG 3.150 . 4.500 3.784 3.511 3.996 . 0 0 "[ . 1 . 2]" 1
540 1 79 LYS H 1 79 LYS HD2 2.700 . 3.600 3.154 2.344 3.852 0.252 20 0 "[ . 1 . 2]" 1
541 1 79 LYS H 1 79 LYS HE3 3.100 . 4.400 4.392 3.780 4.610 0.210 19 0 "[ . 1 . 2]" 1
542 1 79 LYS QB 1 81 ILE H 3.750 . 5.700 4.360 4.039 4.657 . 0 0 "[ . 1 . 2]" 1
543 1 79 LYS HA 1 80 VAL H 2.000 . 2.200 2.181 1.786 2.271 0.071 20 0 "[ . 1 . 2]" 1
544 1 79 LYS H 1 80 VAL H 3.100 . 4.400 4.425 4.203 4.465 0.065 4 0 "[ . 1 . 2]" 1
545 1 79 LYS H 1 79 LYS QB 3.150 . 4.500 2.082 1.943 2.241 . 0 0 "[ . 1 . 2]" 1
546 1 79 LYS H 1 79 LYS HA 2.700 . 3.600 2.817 2.728 2.909 . 0 0 "[ . 1 . 2]" 1
547 1 80 VAL H 1 80 VAL MG2 3.600 . 5.400 3.869 3.778 3.931 . 0 0 "[ . 1 . 2]" 1
548 1 80 VAL MG2 1 82 LEU H 3.800 . 5.800 4.053 3.710 4.348 . 0 0 "[ . 1 . 2]" 1
549 1 80 VAL H 1 80 VAL MG1 3.200 . 4.600 2.081 1.913 2.240 . 0 0 "[ . 1 . 2]" 1
550 1 80 VAL H 1 80 VAL HB 2.700 . 3.600 2.946 2.735 3.106 . 0 0 "[ . 1 . 2]" 1
551 1 80 VAL QG 1 88 ALA H 4.250 . 6.700 3.004 1.987 3.736 . 0 0 "[ . 1 . 2]" 1
552 1 80 VAL H 1 81 ILE H 3.300 . 4.800 4.187 4.056 4.321 . 0 0 "[ . 1 . 2]" 1
553 1 80 VAL MG2 1 81 ILE H 3.200 . 4.600 3.144 2.907 3.277 . 0 0 "[ . 1 . 2]" 1
554 1 80 VAL HA 1 81 ILE H 2.300 . 2.800 2.029 1.961 2.086 . 0 0 "[ . 1 . 2]" 1
555 1 81 ILE H 1 81 ILE HG13 3.100 . 4.400 2.922 2.629 4.183 . 0 0 "[ . 1 . 2]" 1
556 1 81 ILE H 1 82 LEU H 3.100 . 4.400 4.173 4.096 4.322 . 0 0 "[ . 1 . 2]" 1
557 1 81 ILE HA 1 82 LEU H 2.000 . 2.200 2.083 2.016 2.157 . 0 0 "[ . 1 . 2]" 1
558 1 81 ILE HG13 1 82 LEU H 3.300 . 4.800 4.813 4.169 4.897 0.097 18 0 "[ . 1 . 2]" 1
559 1 81 ILE H 1 81 ILE MD 3.600 . 5.400 3.811 2.457 4.073 . 0 0 "[ . 1 . 2]" 1
560 1 81 ILE H 1 81 ILE HB 2.700 . 3.600 2.603 2.421 2.725 . 0 0 "[ . 1 . 2]" 1
561 1 82 LEU QD 1 88 ALA H 4.250 . 6.700 2.833 2.327 3.187 . 0 0 "[ . 1 . 2]" 1
562 1 82 LEU QD 1 87 GLN H 4.450 . 7.100 3.822 3.410 4.549 . 0 0 "[ . 1 . 2]" 1
563 1 82 LEU HB2 1 86 LYS H 3.100 . 4.400 2.405 1.797 3.539 0.003 3 0 "[ . 1 . 2]" 1
564 1 82 LEU QD 1 86 LYS H 4.250 . 6.700 3.579 3.197 3.940 . 0 0 "[ . 1 . 2]" 1
565 1 82 LEU QD 1 85 GLY H 4.450 . 7.100 4.353 3.918 4.728 . 0 0 "[ . 1 . 2]" 1
566 1 82 LEU HB3 1 85 GLY H 3.100 . 4.400 3.427 2.558 4.143 . 0 0 "[ . 1 . 2]" 1
567 1 82 LEU HB2 1 85 GLY H 3.100 . 4.400 3.056 2.312 3.950 . 0 0 "[ . 1 . 2]" 1
568 1 82 LEU HB2 1 84 ASN H 3.100 . 4.400 3.203 2.646 3.749 . 0 0 "[ . 1 . 2]" 1
569 1 82 LEU HA 1 84 ASN H 3.100 . 4.400 3.826 3.495 4.243 . 0 0 "[ . 1 . 2]" 1
570 1 82 LEU MD2 1 83 THR H 3.600 . 5.400 4.506 4.147 4.615 . 0 0 "[ . 1 . 2]" 1
571 1 82 LEU HB2 1 83 THR H 3.100 . 4.400 3.682 3.365 4.024 . 0 0 "[ . 1 . 2]" 1
572 1 82 LEU H 1 83 THR H 3.100 . 4.400 4.385 4.276 4.439 0.039 14 0 "[ . 1 . 2]" 1
573 1 82 LEU H 1 82 LEU HG 3.100 . 4.400 4.064 3.907 4.331 . 0 0 "[ . 1 . 2]" 1
574 1 82 LEU H 1 88 ALA MB 3.800 . 5.800 4.638 4.174 4.779 . 0 0 "[ . 1 . 2]" 1
575 1 82 LEU H 1 82 LEU QD 3.850 . 5.900 2.095 1.919 2.582 . 0 0 "[ . 1 . 2]" 1
576 1 82 LEU H 1 82 LEU HA 2.700 . 3.600 2.854 2.840 2.897 . 0 0 "[ . 1 . 2]" 1
577 1 82 LEU H 1 82 LEU HB2 2.700 . 3.600 2.445 2.217 2.619 . 0 0 "[ . 1 . 2]" 1
578 1 82 LEU H 1 82 LEU HB3 2.700 . 3.600 3.609 3.486 3.687 0.087 19 0 "[ . 1 . 2]" 1
579 1 82 LEU H 1 84 ASN H 3.300 . 4.800 4.846 4.602 4.967 0.167 7 0 "[ . 1 . 2]" 1
580 1 82 LEU H 1 86 LYS H 3.300 . 4.800 4.001 3.028 4.815 0.015 2 0 "[ . 1 . 2]" 1
581 1 82 LEU QD 1 84 ASN QD 4.650 . 7.500 3.636 2.481 4.521 . 0 0 "[ . 1 . 2]" 1
582 1 82 LEU H 1 85 GLY H 3.300 . 4.800 4.206 3.813 4.692 . 0 0 "[ . 1 . 2]" 1
583 1 82 LEU QD 1 84 ASN H 4.250 . 6.700 3.969 3.345 4.280 . 0 0 "[ . 1 . 2]" 1
584 1 82 LEU HB3 1 84 ASN H 3.100 . 4.400 2.390 2.071 2.915 . 0 0 "[ . 1 . 2]" 1
585 1 82 LEU HA 1 83 THR H 2.100 . 2.400 2.098 1.921 2.303 . 0 0 "[ . 1 . 2]" 1
586 1 82 LEU MD1 1 83 THR H 3.600 . 5.400 3.258 2.792 4.157 . 0 0 "[ . 1 . 2]" 1
587 1 82 LEU HG 1 84 ASN QD 3.550 . 5.300 4.003 3.259 4.775 . 0 0 "[ . 1 . 2]" 1
588 1 82 LEU HG 1 83 THR H 3.100 . 4.400 4.539 3.860 4.707 0.307 13 0 "[ . 1 . 2]" 1
589 1 82 LEU HB3 1 83 THR H 3.100 . 4.400 2.507 2.200 2.858 . 0 0 "[ . 1 . 2]" 1
590 1 83 THR HB 1 84 ASN H 3.100 . 4.400 4.016 3.632 4.319 . 0 0 "[ . 1 . 2]" 1
591 1 83 THR H 1 83 THR HB 3.100 . 4.400 3.242 2.596 3.708 . 0 0 "[ . 1 . 2]" 1
592 1 83 THR H 1 85 GLY H 3.300 . 4.800 3.965 3.632 4.190 . 0 0 "[ . 1 . 2]" 1
593 1 83 THR MG 1 85 GLY H 3.800 . 5.800 4.791 4.474 4.971 . 0 0 "[ . 1 . 2]" 1
594 1 83 THR H 1 84 ASN H 2.700 . 3.600 2.504 2.298 2.808 . 0 0 "[ . 1 . 2]" 1
595 1 83 THR MG 1 84 ASN H 3.600 . 5.400 3.484 2.614 4.027 . 0 0 "[ . 1 . 2]" 1
596 1 83 THR HA 1 84 ASN H 2.700 . 3.600 3.315 3.120 3.466 . 0 0 "[ . 1 . 2]" 1
597 1 83 THR H 1 83 THR MG 2.800 . 3.800 2.195 2.000 2.377 . 0 0 "[ . 1 . 2]" 1
598 1 83 THR H 1 83 THR HA 2.700 . 3.600 2.887 2.801 2.943 . 0 0 "[ . 1 . 2]" 1
599 1 84 ASN HA 1 85 GLY H 3.100 . 4.400 3.299 3.064 3.415 . 0 0 "[ . 1 . 2]" 1
600 1 84 ASN H 1 86 LYS H 3.100 . 4.400 3.461 3.074 4.157 . 0 0 "[ . 1 . 2]" 1
601 1 84 ASN QD 1 86 LYS H 3.750 . 5.700 4.287 2.285 4.945 . 0 0 "[ . 1 . 2]" 1
602 1 84 ASN HB3 1 86 LYS H 3.300 . 4.800 4.619 3.992 4.898 0.098 8 0 "[ . 1 . 2]" 1
603 1 84 ASN HA 1 84 ASN QD 3.550 . 5.300 3.971 2.792 4.334 . 0 0 "[ . 1 . 2]" 1
604 1 84 ASN QD 1 86 LYS QG 3.950 . 6.100 3.061 1.869 4.315 . 0 0 "[ . 1 . 2]" 1
605 1 84 ASN HB2 1 85 GLY H 3.300 . 4.800 3.792 3.321 4.377 . 0 0 "[ . 1 . 2]" 1
606 1 84 ASN HB3 1 85 GLY H 3.300 . 4.800 4.255 4.118 4.501 . 0 0 "[ . 1 . 2]" 1
607 1 84 ASN H 1 85 GLY H 2.300 . 2.800 2.263 1.999 2.603 . 0 0 "[ . 1 . 2]" 1
608 1 84 ASN H 1 84 ASN QD 3.750 . 5.700 3.183 1.752 4.060 0.048 8 0 "[ . 1 . 2]" 1
609 1 84 ASN H 1 84 ASN HA 2.700 . 3.600 2.905 2.853 2.939 . 0 0 "[ . 1 . 2]" 1
610 1 84 ASN H 1 84 ASN HB2 2.700 . 3.600 3.128 2.443 3.680 0.080 2 0 "[ . 1 . 2]" 1
611 1 84 ASN H 1 84 ASN HB3 3.100 . 4.400 3.266 2.705 3.725 . 0 0 "[ . 1 . 2]" 1
612 1 84 ASN QD 1 86 LYS QB 3.950 . 6.100 3.667 1.999 4.669 . 0 0 "[ . 1 . 2]" 1
613 1 84 ASN HB2 1 84 ASN QD 3.150 . 4.500 2.495 2.140 3.388 . 0 0 "[ . 1 . 2]" 1
614 1 84 ASN HB3 1 84 ASN QD 3.150 . 4.500 2.781 2.174 3.358 . 0 0 "[ . 1 . 2]" 1
615 1 85 GLY HA3 1 86 LYS H 3.100 . 4.400 3.323 2.948 3.528 . 0 0 "[ . 1 . 2]" 1
616 1 85 GLY HA2 1 86 LYS H 3.100 . 4.400 3.074 2.825 3.441 . 0 0 "[ . 1 . 2]" 1
617 1 85 GLY H 1 86 LYS HG3 3.300 . 4.800 4.781 4.226 4.964 0.164 1 0 "[ . 1 . 2]" 1
618 1 85 GLY H 1 86 LYS H 2.300 . 2.800 2.228 1.948 2.747 . 0 0 "[ . 1 . 2]" 1
619 1 85 GLY H 1 86 LYS HA 3.300 . 4.800 4.879 4.680 4.985 0.185 18 0 "[ . 1 . 2]" 1
620 1 85 GLY H 1 85 GLY HA3 2.700 . 3.600 2.918 2.869 2.960 . 0 0 "[ . 1 . 2]" 1
621 1 85 GLY H 1 85 GLY HA2 2.700 . 3.600 2.360 2.299 2.492 . 0 0 "[ . 1 . 2]" 1
622 1 86 LYS QD 1 87 GLN H 3.550 . 5.300 3.658 2.810 4.430 . 0 0 "[ . 1 . 2]" 1
623 1 86 LYS QG 1 87 GLN H 3.550 . 5.300 4.060 3.416 4.443 . 0 0 "[ . 1 . 2]" 1
624 1 86 LYS H 1 86 LYS HB3 2.700 . 3.600 3.549 3.484 3.611 0.011 16 0 "[ . 1 . 2]" 1
625 1 86 LYS QB 1 87 GLN H 2.750 . 3.700 2.361 1.946 2.904 . 0 0 "[ . 1 . 2]" 1
626 1 86 LYS HA 1 87 GLN H 2.000 . 2.200 2.263 2.186 2.335 0.135 6 0 "[ . 1 . 2]" 1
627 1 86 LYS H 1 86 LYS HG3 2.700 . 3.600 3.195 2.219 3.687 0.087 16 0 "[ . 1 . 2]" 1
628 1 86 LYS H 1 86 LYS HD3 3.100 . 4.400 4.263 3.954 4.543 0.143 7 0 "[ . 1 . 2]" 1
629 1 86 LYS H 1 86 LYS HA 2.700 . 3.600 2.861 2.676 2.938 . 0 0 "[ . 1 . 2]" 1
630 1 86 LYS H 1 87 GLN H 3.100 . 4.400 4.428 4.379 4.495 0.095 2 0 "[ . 1 . 2]" 1
631 1 86 LYS H 1 86 LYS QE 3.750 . 5.700 4.482 3.511 5.110 . 0 0 "[ . 1 . 2]" 1
632 1 87 GLN QB 1 88 ALA H 3.150 . 4.500 3.120 2.499 3.960 . 0 0 "[ . 1 . 2]" 1
633 1 87 GLN QG 1 88 ALA H 3.150 . 4.500 3.462 2.179 4.017 . 0 0 "[ . 1 . 2]" 1
634 1 87 GLN HA 1 88 ALA H 2.300 . 2.800 2.234 2.091 2.410 . 0 0 "[ . 1 . 2]" 1
635 1 87 GLN H 1 87 GLN QG 3.550 . 5.300 3.356 2.437 4.183 . 0 0 "[ . 1 . 2]" 1
636 1 87 GLN H 1 87 GLN HA 2.700 . 3.600 2.921 2.869 2.957 . 0 0 "[ . 1 . 2]" 1
637 1 87 GLN H 1 87 GLN HB2 2.300 . 2.800 2.618 2.402 2.891 0.091 2 0 "[ . 1 . 2]" 1
638 1 87 GLN HA 1 87 GLN QE 3.750 . 5.700 4.474 3.694 4.993 . 0 0 "[ . 1 . 2]" 1
639 1 87 GLN H 1 88 ALA H 3.100 . 4.400 4.407 4.237 4.486 0.086 18 0 "[ . 1 . 2]" 1
640 1 88 ALA H 1 88 ALA MB 2.800 . 3.800 2.343 2.221 2.468 . 0 0 "[ . 1 . 2]" 1
641 1 89 PRO HG3 1 91 TRP HE1 3.300 . 4.800 3.625 2.874 4.196 . 0 0 "[ . 1 . 2]" 1
642 1 89 PRO HG2 1 91 TRP HE1 3.300 . 4.800 3.337 2.328 4.814 0.014 9 0 "[ . 1 . 2]" 1
643 1 89 PRO QG 1 92 LEU H 3.550 . 5.300 4.363 2.944 4.720 . 0 0 "[ . 1 . 2]" 1
644 1 89 PRO HB3 1 92 LEU H 3.300 . 4.800 4.576 4.202 4.824 0.024 6 0 "[ . 1 . 2]" 1
645 1 89 PRO HB2 1 91 TRP HE1 3.100 . 4.400 3.061 2.702 3.535 . 0 0 "[ . 1 . 2]" 1
646 1 89 PRO HB3 1 91 TRP HE1 2.700 . 3.600 2.696 2.453 3.038 . 0 0 "[ . 1 . 2]" 1
647 1 89 PRO HB2 1 92 LEU H 3.100 . 4.400 3.021 2.738 3.212 . 0 0 "[ . 1 . 2]" 1
648 1 89 PRO HB2 1 91 TRP H 2.700 . 3.600 2.691 2.352 2.931 . 0 0 "[ . 1 . 2]" 1
649 1 89 PRO HB3 1 91 TRP H 3.100 . 4.400 3.521 3.101 4.120 . 0 0 "[ . 1 . 2]" 1
650 1 89 PRO HB2 1 90 ASP H 3.100 . 4.400 3.326 2.766 3.651 . 0 0 "[ . 1 . 2]" 1
651 1 89 PRO HB3 1 90 ASP H 2.700 . 3.600 3.100 2.806 3.460 . 0 0 "[ . 1 . 2]" 1
652 1 90 ASP HA 1 91 TRP H 2.700 . 3.600 3.442 3.292 3.505 . 0 0 "[ . 1 . 2]" 1
653 1 90 ASP H 1 92 LEU H 3.300 . 4.800 4.187 4.030 4.338 . 0 0 "[ . 1 . 2]" 1
654 1 90 ASP H 1 90 ASP HA 2.300 . 2.800 2.793 2.727 2.826 0.026 20 0 "[ . 1 . 2]" 1
655 1 90 ASP HA 1 92 LEU H 3.100 . 4.400 3.795 3.484 4.047 . 0 0 "[ . 1 . 2]" 1
656 1 90 ASP QB 1 91 TRP H 3.550 . 5.300 3.014 2.587 3.768 . 0 0 "[ . 1 . 2]" 1
657 1 90 ASP H 1 91 TRP H 2.700 . 3.600 2.684 2.529 2.912 . 0 0 "[ . 1 . 2]" 1
658 1 90 ASP H 1 90 ASP HB3 2.700 . 3.600 2.822 2.345 3.616 0.016 11 0 "[ . 1 . 2]" 1
659 1 91 TRP HD1 1 92 LEU H 3.300 . 4.800 4.693 4.424 4.868 0.068 9 0 "[ . 1 . 2]" 1
660 1 91 TRP HE3 1 93 ALA H 3.300 . 4.800 4.430 4.053 4.816 0.016 15 0 "[ . 1 . 2]" 1
661 1 91 TRP HE3 1 92 LEU H 3.100 . 4.400 4.055 3.852 4.447 0.047 13 0 "[ . 1 . 2]" 1
662 1 91 TRP HB2 1 92 LEU H 3.300 . 4.800 4.206 4.142 4.303 . 0 0 "[ . 1 . 2]" 1
663 1 91 TRP HB3 1 92 LEU H 3.300 . 4.800 4.388 4.299 4.504 . 0 0 "[ . 1 . 2]" 1
664 1 91 TRP HA 1 92 LEU H 3.100 . 4.400 3.384 3.313 3.450 . 0 0 "[ . 1 . 2]" 1
665 1 91 TRP H 1 91 TRP HE1 3.100 . 4.400 4.357 4.189 4.423 0.023 2 0 "[ . 1 . 2]" 1
666 1 91 TRP H 1 91 TRP HD1 2.700 . 3.600 2.631 2.441 2.902 . 0 0 "[ . 1 . 2]" 1
667 1 91 TRP H 1 92 LEU H 2.300 . 2.800 2.532 2.143 2.683 . 0 0 "[ . 1 . 2]" 1
668 1 91 TRP H 1 91 TRP HB2 2.700 . 3.600 3.626 3.604 3.652 0.052 20 0 "[ . 1 . 2]" 1
669 1 91 TRP H 1 91 TRP HB3 3.100 . 4.400 2.772 2.647 3.110 . 0 0 "[ . 1 . 2]" 1
670 1 91 TRP H 1 91 TRP HA 2.700 . 3.600 2.864 2.829 2.919 . 0 0 "[ . 1 . 2]" 1
671 1 92 LEU HA 1 93 ALA H 2.000 . 2.200 2.106 2.077 2.147 . 0 0 "[ . 1 . 2]" 1
672 1 92 LEU HG 1 93 ALA H 3.100 . 4.400 3.640 3.307 4.060 . 0 0 "[ . 1 . 2]" 1
673 1 92 LEU H 1 92 LEU HG 3.100 . 4.400 4.454 4.417 4.482 0.082 18 0 "[ . 1 . 2]" 1
674 1 92 LEU HB2 1 93 ALA H 3.100 . 4.400 4.425 4.370 4.457 0.057 11 0 "[ . 1 . 2]" 1
675 1 92 LEU MD1 1 93 ALA H 3.200 . 4.600 2.884 2.606 3.365 . 0 0 "[ . 1 . 2]" 1
676 1 92 LEU HB3 1 93 ALA H 3.300 . 4.800 4.301 4.120 4.423 . 0 0 "[ . 1 . 2]" 1
677 1 92 LEU H 1 92 LEU HB3 2.700 . 3.600 2.538 2.431 2.607 . 0 0 "[ . 1 . 2]" 1
678 1 92 LEU H 1 92 LEU MD1 3.600 . 5.400 4.084 3.950 4.157 . 0 0 "[ . 1 . 2]" 1
679 1 92 LEU H 1 92 LEU HB2 2.700 . 3.600 2.627 2.438 2.792 . 0 0 "[ . 1 . 2]" 1
680 1 92 LEU H 1 92 LEU HA 2.700 . 3.600 2.881 2.860 2.901 . 0 0 "[ . 1 . 2]" 1
681 1 92 LEU H 1 93 ALA H 3.100 . 4.400 4.207 4.033 4.359 . 0 0 "[ . 1 . 2]" 1
682 1 93 ALA MB 1 94 ALA H 3.200 . 4.600 2.340 2.119 3.099 . 0 0 "[ . 1 . 2]" 1
683 1 93 ALA HA 1 94 ALA H 2.000 . 2.200 2.229 2.138 2.268 0.068 18 0 "[ . 1 . 2]" 1
684 1 93 ALA H 1 94 ALA H 3.100 . 4.400 4.427 4.380 4.454 0.054 13 0 "[ . 1 . 2]" 1
685 1 93 ALA MB 1 95 GLU H 3.800 . 5.800 4.759 4.702 4.796 . 0 0 "[ . 1 . 2]" 1
686 1 93 ALA H 1 93 ALA HA 2.700 . 3.600 2.959 2.927 2.985 . 0 0 "[ . 1 . 2]" 1
687 1 93 ALA H 1 93 ALA MB 3.200 . 4.600 2.404 2.313 2.535 . 0 0 "[ . 1 . 2]" 1
688 1 94 ALA H 1 94 ALA MB 3.200 . 4.600 2.683 2.420 2.797 . 0 0 "[ . 1 . 2]" 1
689 1 94 ALA H 1 94 ALA HA 2.700 . 3.600 2.884 2.859 2.924 . 0 0 "[ . 1 . 2]" 1
690 1 94 ALA HA 1 95 GLU H 2.000 . 2.200 2.193 2.170 2.211 0.011 1 0 "[ . 1 . 2]" 1
691 1 94 ALA MB 1 95 GLU H 3.200 . 4.600 2.940 2.764 3.051 . 0 0 "[ . 1 . 2]" 1
692 1 94 ALA H 1 95 GLU H 3.100 . 4.400 4.197 4.102 4.394 . 0 0 "[ . 1 . 2]" 1
693 1 95 GLU H 1 96 PRO HD2 3.300 . 4.800 4.811 4.713 4.916 0.116 5 0 "[ . 1 . 2]" 1
694 1 95 GLU H 1 96 PRO HD3 3.300 . 4.800 4.832 4.367 4.918 0.118 10 0 "[ . 1 . 2]" 1
695 1 95 GLU H 1 95 GLU HB2 3.100 . 4.400 3.823 3.769 3.887 . 0 0 "[ . 1 . 2]" 1
696 1 95 GLU H 1 95 GLU HB3 3.100 . 4.400 3.356 3.238 3.456 . 0 0 "[ . 1 . 2]" 1
697 1 95 GLU H 1 95 GLU HG3 3.100 . 4.400 2.975 2.794 3.290 . 0 0 "[ . 1 . 2]" 1
698 1 95 GLU H 1 95 GLU HA 2.700 . 3.600 2.897 2.857 2.918 . 0 0 "[ . 1 . 2]" 1
699 1 96 PRO HA 1 97 TYR H 2.000 . 2.200 2.091 1.893 2.230 0.030 12 0 "[ . 1 . 2]" 1
700 1 96 PRO QG 1 97 TYR H 3.750 . 5.700 4.445 4.189 4.688 . 0 0 "[ . 1 . 2]" 1
701 1 96 PRO HB3 1 97 TYR H 3.100 . 4.400 3.886 3.291 4.093 . 0 0 "[ . 1 . 2]" 1
702 1 96 PRO HB2 1 97 TYR H 3.100 . 4.400 3.350 2.901 3.681 . 0 0 "[ . 1 . 2]" 1
703 1 97 TYR H 1 97 TYR HA 2.700 . 3.600 2.762 2.638 2.914 . 0 0 "[ . 1 . 2]" 1
704 1 97 TYR H 1 97 TYR HB2 3.100 . 4.400 3.372 3.197 3.449 . 0 0 "[ . 1 . 2]" 1
705 1 97 TYR H 1 97 TYR HB3 2.700 . 3.600 2.109 1.997 2.383 . 0 0 "[ . 1 . 2]" 1
706 1 25 TYR HB2 1 25 TYR QE 4.350 . 6.900 4.411 4.368 4.472 . 0 0 "[ . 1 . 2]" 1
707 1 27 GLN HA 1 27 GLN HB3 2.700 . 3.600 2.584 2.415 3.034 . 0 0 "[ . 1 . 2]" 1
708 1 32 ALA HA 1 33 PRO HD3 2.700 . 3.600 2.218 1.946 2.699 . 0 0 "[ . 1 . 2]" 1
709 1 32 ALA HA 1 33 PRO HD2 2.700 . 3.600 2.502 2.142 3.103 . 0 0 "[ . 1 . 2]" 1
710 1 32 ALA MB 1 33 PRO QD 4.050 . 6.300 2.471 2.026 2.973 . 0 0 "[ . 1 . 2]" 1
711 1 33 PRO HA 1 33 PRO QG 3.550 . 5.300 3.000 2.705 3.518 . 0 0 "[ . 1 . 2]" 1
712 1 34 ALA MB 1 96 PRO HB3 3.600 . 5.400 4.314 4.043 4.385 . 0 0 "[ . 1 . 2]" 1
713 1 34 ALA MB 1 96 PRO HA 3.600 . 5.400 4.179 3.781 4.401 . 0 0 "[ . 1 . 2]" 1
714 1 36 SER HB3 1 97 TYR HB2 3.300 . 4.800 4.952 4.904 4.995 0.195 15 0 "[ . 1 . 2]" 1
715 1 36 SER HB3 1 97 TYR QD 4.150 . 6.500 3.543 3.169 4.082 . 0 0 "[ . 1 . 2]" 1
716 1 36 SER HA 1 56 ILE HA 3.300 . 4.800 4.196 4.037 4.390 . 0 0 "[ . 1 . 2]" 1
717 1 36 SER HB3 1 97 TYR QE 4.350 . 6.900 4.833 4.250 5.899 . 0 0 "[ . 1 . 2]" 1
718 1 36 SER HB3 1 53 TYR QD 3.750 . 5.700 3.476 2.524 3.727 . 0 0 "[ . 1 . 2]" 1
719 1 36 SER HB3 1 53 TYR QE 4.350 . 6.900 5.493 4.141 5.916 . 0 0 "[ . 1 . 2]" 1
720 1 36 SER HA 1 55 ARG QG 3.750 . 5.700 4.150 3.533 4.898 . 0 0 "[ . 1 . 2]" 1
721 1 36 SER HB3 1 97 TYR HB3 2.700 . 3.600 3.514 3.214 3.610 0.010 3 0 "[ . 1 . 2]" 1
722 1 36 SER HA 1 56 ILE HG12 3.300 . 4.800 2.672 2.374 4.200 . 0 0 "[ . 1 . 2]" 1
723 1 36 SER HB2 1 97 TYR QD 4.150 . 6.500 2.133 1.807 3.245 . 0 0 "[ . 1 . 2]" 1
724 1 36 SER HB2 1 53 TYR QD 4.350 . 6.900 4.011 3.553 4.452 . 0 0 "[ . 1 . 2]" 1
725 1 36 SER HA 1 56 ILE QG 3.550 . 5.300 2.569 2.356 2.698 . 0 0 "[ . 1 . 2]" 1
726 1 36 SER QB 1 38 VAL QG 4.900 . 8.000 3.082 2.862 3.333 . 0 0 "[ . 1 . 2]" 1
727 1 37 CYS HB2 1 39 TYR QD 4.150 . 6.500 4.279 3.991 4.946 . 0 0 "[ . 1 . 2]" 1
728 1 37 CYS HA 1 39 TYR QE 4.350 . 6.900 4.803 4.554 5.372 . 0 0 "[ . 1 . 2]" 1
729 1 37 CYS HB3 1 73 ALA MB 3.600 . 5.400 3.713 3.208 4.265 . 0 0 "[ . 1 . 2]" 1
730 1 37 CYS HB3 1 39 TYR QE 4.150 . 6.500 3.098 2.515 3.884 . 0 0 "[ . 1 . 2]" 1
731 1 37 CYS QB 1 94 ALA MB 4.050 . 6.300 2.302 2.080 2.516 . 0 0 "[ . 1 . 2]" 1
732 1 37 CYS HB3 1 39 TYR QD 4.350 . 6.900 4.153 3.631 4.786 . 0 0 "[ . 1 . 2]" 1
733 1 37 CYS HB2 1 39 TYR QE 3.750 . 5.700 2.525 2.270 3.400 . 0 0 "[ . 1 . 2]" 1
734 1 37 CYS H 1 39 TYR QD 4.350 . 6.900 5.196 4.786 5.703 . 0 0 "[ . 1 . 2]" 1
735 1 37 CYS HB2 1 73 ALA MB 3.600 . 5.400 2.460 2.085 2.935 . 0 0 "[ . 1 . 2]" 1
736 1 38 VAL HA 1 39 TYR QD 4.150 . 6.500 2.995 2.835 3.268 . 0 0 "[ . 1 . 2]" 1
737 1 38 VAL MG1 1 97 TYR QD 4.850 . 7.900 4.673 4.007 4.910 . 0 0 "[ . 1 . 2]" 1
738 1 38 VAL MG2 1 40 TYR QE 4.900 . 8.000 3.555 3.333 3.855 . 0 0 "[ . 1 . 2]" 1
739 1 38 VAL MG2 1 95 GLU HG3 3.600 . 5.400 3.477 3.024 3.750 . 0 0 "[ . 1 . 2]" 1
740 1 38 VAL MG2 1 97 TYR HB2 3.200 . 4.600 2.048 1.790 2.139 0.010 12 0 "[ . 1 . 2]" 1
741 1 38 VAL MG2 1 97 TYR HA 3.800 . 5.800 2.313 1.905 3.115 . 0 0 "[ . 1 . 2]" 1
742 1 38 VAL MG2 1 40 TYR QD 4.850 . 7.900 4.904 4.752 5.100 . 0 0 "[ . 1 . 2]" 1
743 1 38 VAL MG2 1 53 TYR QD 4.650 . 7.500 2.364 2.075 2.862 . 0 0 "[ . 1 . 2]" 1
744 1 38 VAL HB 1 97 TYR HB3 3.100 . 4.400 4.421 4.232 4.577 0.177 12 0 "[ . 1 . 2]" 1
745 1 38 VAL MG1 1 50 LEU HG 3.600 . 5.400 4.011 2.126 4.377 . 0 0 "[ . 1 . 2]" 1
746 1 38 VAL HB 1 97 TYR HB2 3.100 . 4.400 4.403 3.860 4.552 0.152 16 0 "[ . 1 . 2]" 1
747 1 38 VAL MG1 1 50 LEU MD2 4.100 . 6.400 2.424 1.940 3.707 . 0 0 "[ . 1 . 2]" 1
748 1 38 VAL MG1 1 53 TYR QD 4.650 . 7.500 2.918 2.645 3.225 . 0 0 "[ . 1 . 2]" 1
749 1 38 VAL MG1 1 97 TYR HB3 3.200 . 4.600 3.824 3.786 3.848 . 0 0 "[ . 1 . 2]" 1
750 1 38 VAL MG2 1 53 TYR HA 3.200 . 4.600 3.031 2.537 3.531 . 0 0 "[ . 1 . 2]" 1
751 1 38 VAL MG2 1 53 TYR QE 4.700 . 7.600 2.965 2.576 3.294 . 0 0 "[ . 1 . 2]" 1
752 1 38 VAL MG1 1 97 TYR HB2 3.200 . 4.600 3.371 2.831 3.665 . 0 0 "[ . 1 . 2]" 1
753 1 38 VAL QG 1 40 TYR QR 5.050 . 8.300 2.637 2.383 2.817 . 0 0 "[ . 1 . 2]" 1
754 1 38 VAL MG1 1 95 GLU HG3 3.800 . 5.800 4.203 3.705 4.514 . 0 0 "[ . 1 . 2]" 1
755 1 38 VAL MG1 1 53 TYR QE 4.700 . 7.600 2.976 2.605 3.337 . 0 0 "[ . 1 . 2]" 1
756 1 38 VAL HB 1 53 TYR QE 4.350 . 6.900 5.019 4.830 5.427 . 0 0 "[ . 1 . 2]" 1
757 1 38 VAL HA 1 53 TYR HA 3.100 . 4.400 2.263 2.137 2.403 . 0 0 "[ . 1 . 2]" 1
758 1 38 VAL MG1 1 97 TYR HA 3.800 . 5.800 3.997 3.437 4.711 . 0 0 "[ . 1 . 2]" 1
759 1 38 VAL MG1 1 53 TYR HA 3.200 . 4.600 2.698 2.284 3.336 . 0 0 "[ . 1 . 2]" 1
760 1 38 VAL HB 1 53 TYR QD 4.350 . 6.900 4.957 4.716 5.316 . 0 0 "[ . 1 . 2]" 1
761 1 38 VAL MG2 1 97 TYR HB3 3.200 . 4.600 1.978 1.853 2.125 . 0 0 "[ . 1 . 2]" 1
762 1 38 VAL MG2 1 97 TYR QD 4.650 . 7.500 3.549 3.446 3.635 . 0 0 "[ . 1 . 2]" 1
763 1 39 TYR QE 1 71 VAL MG2 4.300 . 6.800 2.769 2.404 3.102 . 0 0 "[ . 1 . 2]" 1
764 1 39 TYR QD 1 80 VAL HA 4.350 . 6.900 4.687 4.021 5.877 . 0 0 "[ . 1 . 2]" 1
765 1 39 TYR HA 1 40 TYR QD 4.150 . 6.500 3.458 3.092 3.939 . 0 0 "[ . 1 . 2]" 1
766 1 39 TYR HA 1 39 TYR QD 4.150 . 6.500 3.072 2.910 3.137 . 0 0 "[ . 1 . 2]" 1
767 1 39 TYR HB3 1 92 LEU MD1 3.600 . 5.400 2.990 2.604 3.506 . 0 0 "[ . 1 . 2]" 1
768 1 39 TYR HB3 1 51 LEU HB3 3.300 . 4.800 4.465 3.994 4.803 0.003 2 0 "[ . 1 . 2]" 1
769 1 39 TYR QD 1 94 ALA MB 4.650 . 7.500 2.908 2.613 3.227 . 0 0 "[ . 1 . 2]" 1
770 1 39 TYR QD 1 52 MET HB2 4.150 . 6.500 5.428 4.854 5.980 . 0 0 "[ . 1 . 2]" 1
771 1 39 TYR HA 1 39 TYR QE 4.350 . 6.900 4.588 4.512 4.649 . 0 0 "[ . 1 . 2]" 1
772 1 39 TYR HA 1 93 ALA MB 3.800 . 5.800 4.384 4.124 4.675 . 0 0 "[ . 1 . 2]" 1
773 1 39 TYR QE 1 94 ALA MB 4.900 . 8.000 2.941 2.703 3.214 . 0 0 "[ . 1 . 2]" 1
774 1 39 TYR QD 1 94 ALA HA 4.350 . 6.900 4.218 4.043 4.425 . 0 0 "[ . 1 . 2]" 1
775 1 39 TYR QD 1 92 LEU HG 4.150 . 6.500 2.994 2.678 3.410 . 0 0 "[ . 1 . 2]" 1
776 1 39 TYR HA 1 94 ALA MB 3.600 . 5.400 2.898 2.568 3.305 . 0 0 "[ . 1 . 2]" 1
777 1 39 TYR QE 1 71 VAL HB 4.150 . 6.500 3.311 3.092 3.538 . 0 0 "[ . 1 . 2]" 1
778 1 39 TYR QE 1 54 VAL HA 4.150 . 6.500 4.730 4.527 5.036 . 0 0 "[ . 1 . 2]" 1
779 1 39 TYR QD 1 54 VAL HB 4.150 . 6.500 3.548 3.167 3.816 . 0 0 "[ . 1 . 2]" 1
780 1 39 TYR QD 1 51 LEU MD1 4.650 . 7.500 4.132 3.693 4.612 . 0 0 "[ . 1 . 2]" 1
781 1 39 TYR QD 1 71 VAL MG2 4.650 . 7.500 3.698 3.536 3.949 . 0 0 "[ . 1 . 2]" 1
782 1 39 TYR QE 1 80 VAL HA 3.750 . 5.700 2.756 2.095 3.690 . 0 0 "[ . 1 . 2]" 1
783 1 39 TYR QB 1 94 ALA HA 3.750 . 5.700 4.366 4.254 4.543 . 0 0 "[ . 1 . 2]" 1
784 1 39 TYR HB3 1 51 LEU HB2 3.100 . 4.400 3.245 2.758 3.597 . 0 0 "[ . 1 . 2]" 1
785 1 39 TYR HA 1 51 LEU MD1 3.800 . 5.800 4.319 4.136 4.556 . 0 0 "[ . 1 . 2]" 1
786 1 39 TYR QE 1 54 VAL HB 3.750 . 5.700 1.983 1.879 2.147 . 0 0 "[ . 1 . 2]" 1
787 1 39 TYR QE 1 71 VAL MG1 4.300 . 6.800 2.469 2.106 3.081 . 0 0 "[ . 1 . 2]" 1
788 1 39 TYR HA 1 94 ALA HA 2.700 . 3.600 2.328 2.220 2.463 . 0 0 "[ . 1 . 2]" 1
789 1 39 TYR QR 1 80 VAL QG 5.050 . 8.300 2.133 1.884 2.496 . 0 0 "[ . 1 . 2]" 1
790 1 39 TYR QD 1 71 VAL MG1 4.650 . 7.500 3.360 2.928 3.647 . 0 0 "[ . 1 . 2]" 1
791 1 39 TYR QD 1 54 VAL H 4.150 . 6.500 3.454 3.192 3.916 . 0 0 "[ . 1 . 2]" 1
792 1 39 TYR HB3 1 51 LEU MD1 3.600 . 5.400 2.670 2.393 3.063 . 0 0 "[ . 1 . 2]" 1
793 1 39 TYR QR 1 92 LEU QD 5.650 . 9.500 2.802 2.249 3.275 . 0 0 "[ . 1 . 2]" 1
794 1 39 TYR QE 1 73 ALA MB 4.300 . 6.800 2.976 2.514 3.410 . 0 0 "[ . 1 . 2]" 1
795 1 39 TYR QR 1 54 VAL QG 5.050 . 8.300 2.015 1.821 2.185 . 0 0 "[ . 1 . 2]" 1
796 1 40 TYR HB2 1 93 ALA MB 3.600 . 5.400 2.203 1.900 2.585 . 0 0 "[ . 1 . 2]" 1
797 1 40 TYR QE 1 95 GLU HG3 4.150 . 6.500 2.356 2.061 2.667 . 0 0 "[ . 1 . 2]" 1
798 1 40 TYR HB3 1 40 TYR QE 4.150 . 6.500 4.383 4.337 4.420 . 0 0 "[ . 1 . 2]" 1
799 1 40 TYR QE 1 51 LEU H 4.350 . 6.900 5.089 4.905 5.341 . 0 0 "[ . 1 . 2]" 1
800 1 40 TYR QE 1 50 LEU MD1 4.300 . 6.800 4.318 2.711 5.087 . 0 0 "[ . 1 . 2]" 1
801 1 40 TYR QD 1 50 LEU HB2 4.150 . 6.500 3.708 3.157 4.186 . 0 0 "[ . 1 . 2]" 1
802 1 40 TYR QE 1 50 LEU HA 4.150 . 6.500 3.362 3.089 3.776 . 0 0 "[ . 1 . 2]" 1
803 1 40 TYR QR 1 51 LEU QD 5.400 . 9.000 4.674 4.542 4.888 . 0 0 "[ . 1 . 2]" 1
804 1 40 TYR QD 1 50 LEU HG 4.150 . 6.500 5.472 4.179 5.856 . 0 0 "[ . 1 . 2]" 1
805 1 40 TYR HA 1 50 LEU HA 3.100 . 4.400 2.958 2.517 3.152 . 0 0 "[ . 1 . 2]" 1
806 1 40 TYR QD 1 48 ARG HG2 4.350 . 6.900 4.396 2.421 4.929 . 0 0 "[ . 1 . 2]" 1
807 1 40 TYR QD 1 48 ARG HG3 4.150 . 6.500 3.480 2.387 5.151 . 0 0 "[ . 1 . 2]" 1
808 1 40 TYR QD 1 50 LEU HA 3.750 . 5.700 2.762 2.301 3.154 . 0 0 "[ . 1 . 2]" 1
809 1 40 TYR QE 1 49 VAL H 4.150 . 6.500 5.554 5.462 5.650 . 0 0 "[ . 1 . 2]" 1
810 1 40 TYR QE 1 50 LEU HB2 3.750 . 5.700 2.835 2.284 3.653 . 0 0 "[ . 1 . 2]" 1
811 1 40 TYR QD 1 95 GLU HB3 4.350 . 6.900 4.517 4.093 4.739 . 0 0 "[ . 1 . 2]" 1
812 1 40 TYR HA 1 51 LEU HB2 3.300 . 4.800 3.682 3.415 4.065 . 0 0 "[ . 1 . 2]" 1
813 1 40 TYR QD 1 50 LEU MD1 4.650 . 7.500 4.807 3.660 5.548 . 0 0 "[ . 1 . 2]" 1
814 1 40 TYR QR 1 48 ARG QB 4.750 . 7.700 2.584 2.075 3.470 . 0 0 "[ . 1 . 2]" 1
815 1 40 TYR QE 1 95 GLU HB3 4.150 . 6.500 4.462 4.169 4.773 . 0 0 "[ . 1 . 2]" 1
816 1 40 TYR QE 1 50 LEU HG 4.350 . 6.900 4.544 3.715 5.501 . 0 0 "[ . 1 . 2]" 1
817 1 40 TYR HA 1 51 LEU HG 3.100 . 4.400 2.503 2.299 2.899 . 0 0 "[ . 1 . 2]" 1
818 1 40 TYR QE 1 50 LEU MD2 4.900 . 8.000 3.192 2.354 4.740 . 0 0 "[ . 1 . 2]" 1
819 1 40 TYR QD 1 95 GLU HG3 4.350 . 6.900 3.891 3.513 4.345 . 0 0 "[ . 1 . 2]" 1
820 1 40 TYR QD 1 94 ALA HA 4.150 . 6.500 3.079 2.629 3.438 . 0 0 "[ . 1 . 2]" 1
821 1 40 TYR HB3 1 48 ARG HB2 3.300 . 4.800 2.243 1.808 3.505 . 0 0 "[ . 1 . 2]" 1
822 1 40 TYR QE 1 94 ALA HA 4.150 . 6.500 4.540 4.063 4.866 . 0 0 "[ . 1 . 2]" 1
823 1 40 TYR HA 1 51 LEU MD2 3.600 . 5.400 4.035 3.896 4.397 . 0 0 "[ . 1 . 2]" 1
824 1 40 TYR HB2 1 40 TYR QE 4.150 . 6.500 4.434 4.389 4.481 . 0 0 "[ . 1 . 2]" 1
825 1 40 TYR QE 1 95 GLU HB2 4.150 . 6.500 4.566 4.319 4.820 . 0 0 "[ . 1 . 2]" 1
826 1 40 TYR HB2 1 48 ARG HB3 3.100 . 4.400 3.770 2.426 4.376 . 0 0 "[ . 1 . 2]" 1
827 1 40 TYR HB3 1 93 ALA MB 3.600 . 5.400 3.536 3.298 3.943 . 0 0 "[ . 1 . 2]" 1
828 1 40 TYR HB3 1 48 ARG HB3 2.700 . 3.600 3.167 1.809 3.622 0.022 10 0 "[ . 1 . 2]" 1
829 1 40 TYR QD 1 50 LEU MD2 4.850 . 7.900 4.088 3.425 5.475 . 0 0 "[ . 1 . 2]" 1
830 1 40 TYR QD 1 49 VAL HA 4.350 . 6.900 3.639 3.240 4.042 . 0 0 "[ . 1 . 2]" 1
831 1 40 TYR HA 1 40 TYR QD 4.150 . 6.500 3.025 2.719 3.227 . 0 0 "[ . 1 . 2]" 1
832 1 40 TYR QE 1 48 ARG HG3 4.350 . 6.900 4.177 3.246 6.371 . 0 0 "[ . 1 . 2]" 1
833 1 40 TYR HA 1 40 TYR QE 4.350 . 6.900 4.730 4.642 4.836 . 0 0 "[ . 1 . 2]" 1
834 1 40 TYR QD 1 95 GLU HB2 4.350 . 6.900 5.405 5.151 5.702 . 0 0 "[ . 1 . 2]" 1
835 1 40 TYR QE 1 48 ARG HG2 4.350 . 6.900 5.186 3.573 6.108 . 0 0 "[ . 1 . 2]" 1
836 1 41 ASP HB3 1 49 VAL MG1 3.600 . 5.400 3.475 3.359 3.611 . 0 0 "[ . 1 . 2]" 1
837 1 41 ASP HA 1 91 TRP HE3 2.700 . 3.600 2.231 2.005 2.514 . 0 0 "[ . 1 . 2]" 1
838 1 41 ASP HB2 1 91 TRP HE3 3.300 . 4.800 3.496 3.152 3.746 . 0 0 "[ . 1 . 2]" 1
839 1 41 ASP HB3 1 91 TRP HE3 3.100 . 4.400 4.445 4.358 4.520 0.120 10 0 "[ . 1 . 2]" 1
840 1 41 ASP HB3 1 51 LEU MD1 3.200 . 4.600 3.583 3.540 3.638 . 0 0 "[ . 1 . 2]" 1
841 1 41 ASP HA 1 49 VAL HB 3.300 . 4.800 4.730 4.595 4.812 0.012 17 0 "[ . 1 . 2]" 1
842 1 41 ASP HA 1 92 LEU MD1 3.600 . 5.400 3.339 3.147 3.599 . 0 0 "[ . 1 . 2]" 1
843 1 41 ASP HB2 1 49 VAL HB 3.100 . 4.400 3.435 3.345 3.513 . 0 0 "[ . 1 . 2]" 1
844 1 41 ASP HB2 1 49 VAL MG2 3.600 . 5.400 4.374 4.151 4.455 . 0 0 "[ . 1 . 2]" 1
845 1 41 ASP HB2 1 51 LEU MD1 3.600 . 5.400 2.209 2.103 2.533 . 0 0 "[ . 1 . 2]" 1
846 1 41 ASP HB2 1 49 VAL MG1 3.600 . 5.400 4.431 4.344 4.458 . 0 0 "[ . 1 . 2]" 1
847 1 41 ASP QB 1 91 TRP HZ3 3.550 . 5.300 2.990 2.748 3.266 . 0 0 "[ . 1 . 2]" 1
848 1 41 ASP HA 1 91 TRP HZ3 3.100 . 4.400 3.395 3.077 3.834 . 0 0 "[ . 1 . 2]" 1
849 1 41 ASP HA 1 51 LEU MD1 3.800 . 5.800 3.127 2.758 3.500 . 0 0 "[ . 1 . 2]" 1
850 1 43 HIS HB3 1 43 HIS HD2 3.100 . 4.400 3.683 2.863 3.981 . 0 0 "[ . 1 . 2]" 1
851 1 43 HIS HB2 1 43 HIS HD2 3.100 . 4.400 3.107 2.628 3.965 . 0 0 "[ . 1 . 2]" 1
852 1 43 HIS HA 1 43 HIS HB2 2.700 . 3.600 2.866 2.464 3.040 . 0 0 "[ . 1 . 2]" 1
853 1 44 LEU MD2 1 46 ALA MB 4.300 . 6.800 3.446 2.127 4.484 . 0 0 "[ . 1 . 2]" 1
854 1 44 LEU HB3 1 44 LEU MD2 3.200 . 4.600 2.531 2.212 3.214 . 0 0 "[ . 1 . 2]" 1
855 1 44 LEU HB3 1 44 LEU MD1 3.200 . 4.600 2.785 2.317 3.231 . 0 0 "[ . 1 . 2]" 1
856 1 44 LEU MD1 1 45 PRO HD2 3.600 . 5.400 3.743 1.903 4.504 . 0 0 "[ . 1 . 2]" 1
857 1 44 LEU MD2 1 45 PRO HD2 3.600 . 5.400 3.795 2.151 4.571 . 0 0 "[ . 1 . 2]" 1
858 1 45 PRO HA 1 45 PRO HG3 3.100 . 4.400 3.968 3.368 4.082 . 0 0 "[ . 1 . 2]" 1
859 1 45 PRO HB2 1 45 PRO HD3 3.100 . 4.400 3.895 3.806 3.980 . 0 0 "[ . 1 . 2]" 1
860 1 45 PRO HB3 1 45 PRO HD3 3.100 . 4.400 2.967 2.757 3.729 . 0 0 "[ . 1 . 2]" 1
861 1 45 PRO HA 1 45 PRO HG2 3.100 . 4.400 3.868 3.781 3.999 . 0 0 "[ . 1 . 2]" 1
862 1 45 PRO HB2 1 45 PRO HG3 2.700 . 3.600 2.691 2.650 2.910 . 0 0 "[ . 1 . 2]" 1
863 1 45 PRO HB2 1 45 PRO HD2 3.300 . 4.800 4.018 3.480 4.095 . 0 0 "[ . 1 . 2]" 1
864 1 45 PRO HB3 1 45 PRO HD2 3.100 . 4.400 3.864 3.776 4.047 . 0 0 "[ . 1 . 2]" 1
865 1 45 PRO HD3 1 45 PRO HG3 2.700 . 3.600 2.293 2.223 2.360 . 0 0 "[ . 1 . 2]" 1
866 1 46 ALA MB 1 47 THR MG 3.700 . 5.600 2.851 2.481 3.654 . 0 0 "[ . 1 . 2]" 1
867 1 49 VAL HA 1 49 VAL MG1 3.200 . 4.600 2.414 2.378 2.454 . 0 0 "[ . 1 . 2]" 1
868 1 49 VAL HA 1 49 VAL HB 2.700 . 3.600 3.033 3.024 3.047 . 0 0 "[ . 1 . 2]" 1
869 1 49 VAL HA 1 49 VAL MG2 3.200 . 4.600 2.487 2.434 2.539 . 0 0 "[ . 1 . 2]" 1
870 1 50 LEU MD2 1 52 MET HA 3.800 . 5.800 4.043 2.417 4.745 . 0 0 "[ . 1 . 2]" 1
871 1 50 LEU HB3 1 50 LEU MD1 3.200 . 4.600 2.573 2.348 3.208 . 0 0 "[ . 1 . 2]" 1
872 1 50 LEU MD1 1 53 TYR QD 4.650 . 7.500 3.143 2.639 3.944 . 0 0 "[ . 1 . 2]" 1
873 1 50 LEU HA 1 50 LEU MD1 3.200 . 4.600 2.968 2.151 3.660 . 0 0 "[ . 1 . 2]" 1
874 1 50 LEU HB2 1 50 LEU MD1 3.200 . 4.600 2.952 2.178 3.241 . 0 0 "[ . 1 . 2]" 1
875 1 50 LEU HB2 1 50 LEU MD2 3.200 . 4.600 2.494 2.342 3.192 . 0 0 "[ . 1 . 2]" 1
876 1 50 LEU MD1 1 53 TYR QE 4.300 . 6.800 2.501 2.016 3.249 . 0 0 "[ . 1 . 2]" 1
877 1 50 LEU MD2 1 53 TYR QE 4.300 . 6.800 2.584 1.941 3.279 . 0 0 "[ . 1 . 2]" 1
878 1 50 LEU HA 1 50 LEU HB2 2.700 . 3.600 2.484 2.377 2.563 . 0 0 "[ . 1 . 2]" 1
879 1 50 LEU HA 1 50 LEU HG 3.100 . 4.400 3.557 2.546 3.842 . 0 0 "[ . 1 . 2]" 1
880 1 50 LEU HA 1 50 LEU MD2 3.600 . 5.400 2.599 2.098 3.914 . 0 0 "[ . 1 . 2]" 1
881 1 50 LEU HB3 1 50 LEU MD2 3.200 . 4.600 2.922 2.246 3.207 . 0 0 "[ . 1 . 2]" 1
882 1 50 LEU MD2 1 53 TYR QD 4.650 . 7.500 3.454 2.668 4.195 . 0 0 "[ . 1 . 2]" 1
883 1 51 LEU HB3 1 51 LEU MD2 3.200 . 4.600 2.341 2.289 2.409 . 0 0 "[ . 1 . 2]" 1
884 1 51 LEU HB3 1 51 LEU MD1 3.200 . 4.600 2.369 2.331 2.401 . 0 0 "[ . 1 . 2]" 1
885 1 51 LEU HB2 1 51 LEU MD1 3.200 . 4.600 2.337 2.298 2.390 . 0 0 "[ . 1 . 2]" 1
886 1 51 LEU MD2 1 64 ALA MB 3.700 . 5.600 2.632 2.137 3.229 . 0 0 "[ . 1 . 2]" 1
887 1 51 LEU QD 1 91 TRP HH2 4.400 . 7.000 4.248 3.615 4.727 . 0 0 "[ . 1 . 2]" 1
888 1 51 LEU MD1 1 64 ALA MB 3.700 . 5.600 2.304 1.978 2.957 . 0 0 "[ . 1 . 2]" 1
889 1 51 LEU QD 1 91 TRP HZ3 4.200 . 6.600 2.772 2.164 3.212 . 0 0 "[ . 1 . 2]" 1
890 1 51 LEU QD 1 91 TRP HE3 4.400 . 7.000 3.849 3.520 4.144 . 0 0 "[ . 1 . 2]" 1
891 1 51 LEU QD 1 62 ILE MD 4.350 . 6.900 3.865 3.728 3.958 . 0 0 "[ . 1 . 2]" 1
892 1 52 MET HA 1 52 MET HB3 2.700 . 3.600 2.795 2.403 3.020 . 0 0 "[ . 1 . 2]" 1
893 1 52 MET HA 1 52 MET HG3 2.700 . 3.600 2.831 2.156 3.703 0.103 12 0 "[ . 1 . 2]" 1
894 1 52 MET HB2 1 54 VAL MG2 3.800 . 5.800 4.343 3.658 4.832 . 0 0 "[ . 1 . 2]" 1
895 1 52 MET ME 1 62 ILE MG 4.100 . 6.400 3.419 2.605 4.307 . 0 0 "[ . 1 . 2]" 1
896 1 52 MET QB 1 62 ILE MD 4.250 . 6.700 2.833 1.896 3.962 . 0 0 "[ . 1 . 2]" 1
897 1 52 MET HB2 1 62 ILE MD 3.800 . 5.800 3.524 2.674 4.529 . 0 0 "[ . 1 . 2]" 1
898 1 52 MET QG 1 62 ILE MG 4.250 . 6.700 4.030 2.531 4.845 . 0 0 "[ . 1 . 2]" 1
899 1 52 MET HA 1 53 TYR QD 4.150 . 6.500 3.275 2.898 3.893 . 0 0 "[ . 1 . 2]" 1
900 1 52 MET ME 1 54 VAL QG 4.750 . 7.700 3.581 2.318 4.467 . 0 0 "[ . 1 . 2]" 1
901 1 52 MET QG 1 60 ALA MB 4.050 . 6.300 3.750 2.487 4.557 . 0 0 "[ . 1 . 2]" 1
902 1 52 MET QG 1 62 ILE MD 4.250 . 6.700 3.066 2.219 3.954 . 0 0 "[ . 1 . 2]" 1
903 1 52 MET QG 1 54 VAL QG 4.700 . 7.600 2.959 2.328 4.282 . 0 0 "[ . 1 . 2]" 1
904 1 52 MET HA 1 53 TYR QE 4.350 . 6.900 4.780 4.260 5.451 . 0 0 "[ . 1 . 2]" 1
905 1 52 MET ME 1 60 ALA MB 3.700 . 5.600 2.917 1.899 3.726 . 0 0 "[ . 1 . 2]" 1
906 1 53 TYR QE 1 97 TYR QD 5.250 . 8.700 2.545 2.116 3.588 . 0 0 "[ . 1 . 2]" 1
907 1 53 TYR HA 1 53 TYR QD 4.150 . 6.500 3.152 3.017 3.269 . 0 0 "[ . 1 . 2]" 1
908 1 53 TYR HA 1 53 TYR HB2 2.700 . 3.600 3.032 3.012 3.041 . 0 0 "[ . 1 . 2]" 1
909 1 53 TYR QR 1 97 TYR QB 4.750 . 7.700 1.990 1.793 2.430 0.007 11 0 "[ . 1 . 2]" 1
910 1 53 TYR HB3 1 53 TYR QE 4.150 . 6.500 4.389 4.349 4.416 . 0 0 "[ . 1 . 2]" 1
911 1 53 TYR HB2 1 53 TYR QE 4.150 . 6.500 4.435 4.392 4.475 . 0 0 "[ . 1 . 2]" 1
912 1 54 VAL MG1 1 73 ALA MB 3.700 . 5.600 2.138 1.976 2.314 . 0 0 "[ . 1 . 2]" 1
913 1 54 VAL HA 1 54 VAL MG1 3.200 . 4.600 2.357 2.309 2.391 . 0 0 "[ . 1 . 2]" 1
914 1 54 VAL HA 1 54 VAL MG2 3.200 . 4.600 2.415 2.343 2.449 . 0 0 "[ . 1 . 2]" 1
915 1 54 VAL MG1 1 58 ASN HB3 3.200 . 4.600 2.728 2.363 2.986 . 0 0 "[ . 1 . 2]" 1
916 1 54 VAL MG1 1 58 ASN HB2 3.600 . 5.400 4.211 3.832 4.461 . 0 0 "[ . 1 . 2]" 1
917 1 54 VAL MG2 1 73 ALA MB 4.100 . 6.400 3.551 3.116 3.797 . 0 0 "[ . 1 . 2]" 1
918 1 54 VAL MG2 1 60 ALA MB 3.700 . 5.600 1.952 1.868 2.061 . 0 0 "[ . 1 . 2]" 1
919 1 54 VAL MG1 1 59 THR HA 3.600 . 5.400 3.277 2.957 3.595 . 0 0 "[ . 1 . 2]" 1
920 1 54 VAL MG1 1 58 ASN HA 3.800 . 5.800 4.554 4.292 4.841 . 0 0 "[ . 1 . 2]" 1
921 1 54 VAL QG 1 71 VAL QG 5.400 . 9.000 2.333 2.011 2.784 . 0 0 "[ . 1 . 2]" 1
922 1 54 VAL MG1 1 60 ALA MB 3.700 . 5.600 2.233 2.101 2.485 . 0 0 "[ . 1 . 2]" 1
923 1 55 ARG QB 1 58 ASN QB 4.000 . 6.200 2.453 2.060 2.915 . 0 0 "[ . 1 . 2]" 1
924 1 55 ARG HA 1 55 ARG QG 3.550 . 5.300 2.627 2.424 2.949 . 0 0 "[ . 1 . 2]" 1
925 1 55 ARG HA 1 55 ARG QD 3.550 . 5.300 3.009 1.903 4.048 . 0 0 "[ . 1 . 2]" 1
926 1 56 ILE MG 1 75 ASP HA 2.800 . 3.800 2.637 2.019 3.140 . 0 0 "[ . 1 . 2]" 1
927 1 56 ILE HB 1 56 ILE MD 3.200 . 4.600 3.239 2.492 3.301 . 0 0 "[ . 1 . 2]" 1
928 1 56 ILE MD 1 75 ASP HA 3.600 . 5.400 3.469 3.047 4.056 . 0 0 "[ . 1 . 2]" 1
929 1 56 ILE MD 1 76 GLN HB3 3.600 . 5.400 3.131 2.054 4.006 . 0 0 "[ . 1 . 2]" 1
930 1 56 ILE MD 1 76 GLN HB2 3.600 . 5.400 3.899 2.901 4.399 . 0 0 "[ . 1 . 2]" 1
931 1 56 ILE MG 1 75 ASP QB 4.050 . 6.300 4.177 3.574 4.561 . 0 0 "[ . 1 . 2]" 1
932 1 56 ILE HA 1 56 ILE MD 3.600 . 5.400 2.421 2.177 3.748 . 0 0 "[ . 1 . 2]" 1
933 1 56 ILE HA 1 56 ILE HB 2.700 . 3.600 3.021 3.001 3.035 . 0 0 "[ . 1 . 2]" 1
934 1 56 ILE HA 1 56 ILE MG 3.200 . 4.600 2.390 2.322 2.557 . 0 0 "[ . 1 . 2]" 1
935 1 56 ILE HA 1 56 ILE HG12 2.700 . 3.600 2.996 2.348 3.092 . 0 0 "[ . 1 . 2]" 1
936 1 56 ILE MD 1 96 PRO HB2 3.800 . 5.800 4.687 4.650 4.778 . 0 0 "[ . 1 . 2]" 1
937 1 56 ILE MD 1 96 PRO HA 3.800 . 5.800 4.284 3.869 4.535 . 0 0 "[ . 1 . 2]" 1
938 1 56 ILE MD 1 76 GLN HA 3.200 . 4.600 2.112 1.877 2.366 . 0 0 "[ . 1 . 2]" 1
939 1 56 ILE MG 1 76 GLN HA 3.600 . 5.400 3.836 3.156 4.135 . 0 0 "[ . 1 . 2]" 1
940 1 56 ILE MD 1 76 GLN QG 4.250 . 6.700 3.489 2.217 4.427 . 0 0 "[ . 1 . 2]" 1
941 1 58 ASN HA 1 58 ASN HB3 2.300 . 2.800 2.951 2.937 2.962 0.162 13 0 "[ . 1 . 2]" 1
942 1 58 ASN HA 1 58 ASN HB2 2.700 . 3.600 2.389 2.350 2.464 . 0 0 "[ . 1 . 2]" 1
943 1 59 THR MG 1 72 GLU HB2 3.600 . 5.400 2.254 1.972 2.766 . 0 0 "[ . 1 . 2]" 1
944 1 59 THR HA 1 72 GLU HB2 3.300 . 4.800 4.112 3.546 4.808 0.008 18 0 "[ . 1 . 2]" 1
945 1 59 THR HA 1 59 THR HB 2.700 . 3.600 2.461 2.420 2.521 . 0 0 "[ . 1 . 2]" 1
946 1 59 THR HA 1 59 THR MG 3.200 . 4.600 2.316 2.273 2.400 . 0 0 "[ . 1 . 2]" 1
947 1 59 THR HA 1 72 GLU HA 3.100 . 4.400 2.210 1.941 2.739 . 0 0 "[ . 1 . 2]" 1
948 1 59 THR HB 1 71 VAL MG2 3.800 . 5.800 4.519 4.260 4.716 . 0 0 "[ . 1 . 2]" 1
949 1 59 THR HB 1 70 GLU QG 3.550 . 5.300 3.139 2.560 3.599 . 0 0 "[ . 1 . 2]" 1
950 1 61 THR HA 1 61 THR MG 3.200 . 4.600 2.287 2.222 2.352 . 0 0 "[ . 1 . 2]" 1
951 1 61 THR MG 1 68 GLU HA 3.600 . 5.400 3.451 3.225 3.710 . 0 0 "[ . 1 . 2]" 1
952 1 61 THR HA 1 70 GLU HA 2.700 . 3.600 2.100 1.917 2.314 . 0 0 "[ . 1 . 2]" 1
953 1 61 THR MG 1 68 GLU HG2 3.600 . 5.400 2.521 2.041 3.124 . 0 0 "[ . 1 . 2]" 1
954 1 62 ILE HG13 1 62 ILE MG 3.200 . 4.600 2.322 2.299 2.339 . 0 0 "[ . 1 . 2]" 1
955 1 62 ILE HA 1 62 ILE MG 3.200 . 4.600 2.305 2.228 2.400 . 0 0 "[ . 1 . 2]" 1
956 1 62 ILE HA 1 62 ILE HG12 3.100 . 4.400 3.357 3.210 3.464 . 0 0 "[ . 1 . 2]" 1
957 1 62 ILE HA 1 62 ILE MD 3.600 . 5.400 2.318 2.158 2.452 . 0 0 "[ . 1 . 2]" 1
958 1 62 ILE HA 1 62 ILE HG13 3.100 . 4.400 3.908 3.842 3.967 . 0 0 "[ . 1 . 2]" 1
959 1 62 ILE HB 1 62 ILE HG12 2.700 . 3.600 2.439 2.423 2.460 . 0 0 "[ . 1 . 2]" 1
960 1 62 ILE HB 1 62 ILE MD 3.200 . 4.600 3.207 3.178 3.222 . 0 0 "[ . 1 . 2]" 1
961 1 62 ILE HB 1 62 ILE HG13 2.700 . 3.600 2.444 2.425 2.468 . 0 0 "[ . 1 . 2]" 1
962 1 62 ILE MD 1 69 PHE QD 4.850 . 7.900 5.005 4.669 5.270 . 0 0 "[ . 1 . 2]" 1
963 1 62 ILE HG13 1 69 PHE HB2 3.100 . 4.400 3.240 3.014 3.477 . 0 0 "[ . 1 . 2]" 1
964 1 62 ILE HG12 1 69 PHE HB3 3.300 . 4.800 4.241 3.873 4.760 . 0 0 "[ . 1 . 2]" 1
965 1 62 ILE HG12 1 69 PHE HB2 3.100 . 4.400 3.075 2.707 3.411 . 0 0 "[ . 1 . 2]" 1
966 1 62 ILE HG13 1 69 PHE HB3 3.300 . 4.800 4.413 4.135 4.742 . 0 0 "[ . 1 . 2]" 1
967 1 62 ILE HG13 1 69 PHE QD 4.150 . 6.500 4.277 3.766 4.652 . 0 0 "[ . 1 . 2]" 1
968 1 62 ILE HB 1 69 PHE HB3 3.100 . 4.400 3.847 3.705 4.048 . 0 0 "[ . 1 . 2]" 1
969 1 62 ILE MD 1 62 ILE MG 3.700 . 5.600 2.007 1.949 2.064 . 0 0 "[ . 1 . 2]" 1
970 1 63 THR HA 1 69 PHE QE 4.350 . 6.900 4.931 4.700 5.278 . 0 0 "[ . 1 . 2]" 1
971 1 63 THR HB 1 68 GLU HA 3.300 . 4.800 4.856 4.800 4.988 0.188 20 0 "[ . 1 . 2]" 1
972 1 63 THR MG 1 68 GLU HA 3.600 . 5.400 3.503 3.195 3.849 . 0 0 "[ . 1 . 2]" 1
973 1 63 THR HA 1 69 PHE QD 4.150 . 6.500 4.087 3.816 4.614 . 0 0 "[ . 1 . 2]" 1
974 1 63 THR HA 1 68 GLU HG3 3.100 . 4.400 2.977 2.495 3.357 . 0 0 "[ . 1 . 2]" 1
975 1 63 THR HA 1 63 THR HB 2.700 . 3.600 3.022 2.971 3.044 . 0 0 "[ . 1 . 2]" 1
976 1 63 THR HA 1 63 THR MG 3.200 . 4.600 2.366 2.291 2.504 . 0 0 "[ . 1 . 2]" 1
977 1 63 THR HA 1 68 GLU HA 2.700 . 3.600 2.153 2.043 2.313 . 0 0 "[ . 1 . 2]" 1
978 1 64 ALA MB 1 91 TRP HH2 3.200 . 4.600 2.398 2.055 3.306 . 0 0 "[ . 1 . 2]" 1
979 1 64 ALA MB 1 69 PHE QD 4.250 . 6.700 2.976 2.524 3.445 . 0 0 "[ . 1 . 2]" 1
980 1 64 ALA MB 1 69 PHE QE 4.250 . 6.700 2.047 1.937 2.307 . 0 0 "[ . 1 . 2]" 1
981 1 64 ALA MB 1 91 TRP HZ3 3.200 . 4.600 2.576 2.096 3.895 . 0 0 "[ . 1 . 2]" 1
982 1 65 ARG HA 1 65 ARG HD3 3.300 . 4.800 4.407 4.252 4.677 . 0 0 "[ . 1 . 2]" 1
983 1 65 ARG HA 1 65 ARG HG2 2.700 . 3.600 2.568 2.371 2.743 . 0 0 "[ . 1 . 2]" 1
984 1 65 ARG HB2 1 67 HIS HD2 3.100 . 4.400 2.695 1.968 4.030 . 0 0 "[ . 1 . 2]" 1
985 1 65 ARG HB3 1 65 ARG HD3 3.100 . 4.400 2.565 2.386 3.033 . 0 0 "[ . 1 . 2]" 1
986 1 65 ARG HA 1 65 ARG HG3 3.100 . 4.400 2.994 2.347 3.228 . 0 0 "[ . 1 . 2]" 1
987 1 65 ARG HB3 1 67 HIS HD2 3.100 . 4.400 3.123 2.038 3.896 . 0 0 "[ . 1 . 2]" 1
988 1 65 ARG HB2 1 65 ARG HG2 2.700 . 3.600 2.995 2.919 3.012 . 0 0 "[ . 1 . 2]" 1
989 1 65 ARG HD3 1 65 ARG HG2 2.700 . 3.600 2.490 2.376 3.024 . 0 0 "[ . 1 . 2]" 1
990 1 67 HIS HB3 1 67 HIS HD2 3.100 . 4.400 3.914 3.745 3.970 . 0 0 "[ . 1 . 2]" 1
991 1 67 HIS HB2 1 69 PHE HZ 3.100 . 4.400 3.008 2.634 3.414 . 0 0 "[ . 1 . 2]" 1
992 1 67 HIS HB3 1 69 PHE HZ 3.300 . 4.800 3.635 3.093 4.038 . 0 0 "[ . 1 . 2]" 1
993 1 67 HIS HB3 1 69 PHE QE 4.150 . 6.500 3.593 3.187 3.847 . 0 0 "[ . 1 . 2]" 1
994 1 67 HIS HB2 1 69 PHE QD 4.350 . 6.900 4.115 3.551 4.472 . 0 0 "[ . 1 . 2]" 1
995 1 68 GLU HB3 1 68 GLU HG2 2.700 . 3.600 2.331 2.248 2.393 . 0 0 "[ . 1 . 2]" 1
996 1 68 GLU HA 1 68 GLU HB2 2.700 . 3.600 3.003 2.938 3.025 . 0 0 "[ . 1 . 2]" 1
997 1 68 GLU HA 1 68 GLU HB3 2.700 . 3.600 2.545 2.459 2.711 . 0 0 "[ . 1 . 2]" 1
998 1 68 GLU HA 1 68 GLU HG3 3.100 . 4.400 2.424 2.296 2.516 . 0 0 "[ . 1 . 2]" 1
999 1 68 GLU HA 1 68 GLU HG2 3.100 . 4.400 3.435 2.363 3.719 . 0 0 "[ . 1 . 2]" 1
1000 1 68 GLU HA 1 69 PHE QD 4.150 . 6.500 3.916 3.541 4.209 . 0 0 "[ . 1 . 2]" 1
1001 1 68 GLU HA 1 69 PHE QE 4.350 . 6.900 5.110 4.842 5.402 . 0 0 "[ . 1 . 2]" 1
1002 1 69 PHE QE 1 89 PRO HD2 4.150 . 6.500 2.840 2.474 3.185 . 0 0 "[ . 1 . 2]" 1
1003 1 69 PHE QE 1 82 LEU MD2 4.700 . 7.600 4.697 3.826 5.324 . 0 0 "[ . 1 . 2]" 1
1004 1 69 PHE QD 1 89 PRO HD2 4.150 . 6.500 3.972 3.409 4.414 . 0 0 "[ . 1 . 2]" 1
1005 1 69 PHE HA 1 69 PHE HB2 2.700 . 3.600 3.035 3.023 3.044 . 0 0 "[ . 1 . 2]" 1
1006 1 69 PHE HB3 1 69 PHE QE 4.350 . 6.900 4.418 4.399 4.444 . 0 0 "[ . 1 . 2]" 1
1007 1 69 PHE QD 1 88 ALA MB 4.850 . 7.900 3.251 2.660 4.218 . 0 0 "[ . 1 . 2]" 1
1008 1 69 PHE QE 1 88 ALA MB 4.850 . 7.900 3.662 2.960 4.769 . 0 0 "[ . 1 . 2]" 1
1009 1 69 PHE QE 1 88 ALA HA 4.350 . 6.900 3.687 3.211 4.591 . 0 0 "[ . 1 . 2]" 1
1010 1 69 PHE QD 1 89 PRO HD3 4.350 . 6.900 4.177 3.605 5.187 . 0 0 "[ . 1 . 2]" 1
1011 1 69 PHE HB2 1 82 LEU MD1 3.600 . 5.400 3.296 2.956 3.695 . 0 0 "[ . 1 . 2]" 1
1012 1 69 PHE HB2 1 71 VAL MG1 3.600 . 5.400 3.080 2.647 3.380 . 0 0 "[ . 1 . 2]" 1
1013 1 69 PHE HB3 1 82 LEU MD2 3.600 . 5.400 3.658 2.224 4.010 . 0 0 "[ . 1 . 2]" 1
1014 1 69 PHE HB3 1 82 LEU MD1 3.200 . 4.600 1.963 1.795 2.757 0.005 5 0 "[ . 1 . 2]" 1
1015 1 69 PHE HB3 1 71 VAL MG1 3.600 . 5.400 2.794 2.455 3.106 . 0 0 "[ . 1 . 2]" 1
1016 1 69 PHE HA 1 69 PHE QD 4.150 . 6.500 2.848 2.604 3.023 . 0 0 "[ . 1 . 2]" 1
1017 1 69 PHE QE 1 92 LEU MD1 4.850 . 7.900 3.566 3.058 3.977 . 0 0 "[ . 1 . 2]" 1
1018 1 69 PHE QD 1 82 LEU MD2 4.250 . 6.700 3.429 2.222 4.072 . 0 0 "[ . 1 . 2]" 1
1019 1 69 PHE QE 1 92 LEU MD2 4.850 . 7.900 3.292 2.964 3.997 . 0 0 "[ . 1 . 2]" 1
1020 1 69 PHE QD 1 88 ALA HA 4.350 . 6.900 3.942 3.491 4.339 . 0 0 "[ . 1 . 2]" 1
1021 1 69 PHE QD 1 82 LEU MD1 4.250 . 6.700 2.809 2.114 3.906 . 0 0 "[ . 1 . 2]" 1
1022 1 69 PHE QD 1 92 LEU MD2 4.650 . 7.500 2.918 2.662 3.209 . 0 0 "[ . 1 . 2]" 1
1023 1 69 PHE HB3 1 92 LEU MD2 3.800 . 5.800 2.987 2.550 3.424 . 0 0 "[ . 1 . 2]" 1
1024 1 69 PHE HZ 1 92 LEU MD1 3.800 . 5.800 4.606 4.569 4.654 . 0 0 "[ . 1 . 2]" 1
1025 1 69 PHE HB2 1 69 PHE QE 4.350 . 6.900 4.369 4.334 4.387 . 0 0 "[ . 1 . 2]" 1
1026 1 69 PHE QE 1 89 PRO HD3 4.150 . 6.500 2.618 2.234 3.199 . 0 0 "[ . 1 . 2]" 1
1027 1 69 PHE QE 1 82 LEU MD1 4.650 . 7.500 4.636 4.108 5.149 . 0 0 "[ . 1 . 2]" 1
1028 1 70 GLU HB3 1 83 THR MG 3.600 . 5.400 2.839 2.173 3.313 . 0 0 "[ . 1 . 2]" 1
1029 1 70 GLU HB3 1 70 GLU HG3 2.300 . 2.800 2.828 2.530 2.949 0.149 20 0 "[ . 1 . 2]" 1
1030 1 70 GLU HA 1 70 GLU QG 3.150 . 4.500 2.432 2.230 2.770 . 0 0 "[ . 1 . 2]" 1
1031 1 70 GLU HA 1 71 VAL MG1 3.800 . 5.800 3.652 3.409 3.857 . 0 0 "[ . 1 . 2]" 1
1032 1 70 GLU HA 1 71 VAL MG2 3.800 . 5.800 3.642 3.192 4.094 . 0 0 "[ . 1 . 2]" 1
1033 1 71 VAL MG1 1 82 LEU HA 3.800 . 5.800 2.839 2.239 3.366 . 0 0 "[ . 1 . 2]" 1
1034 1 71 VAL HA 1 83 THR MG 3.600 . 5.400 3.078 2.462 3.778 . 0 0 "[ . 1 . 2]" 1
1035 1 71 VAL HA 1 82 LEU HB3 3.300 . 4.800 3.886 3.471 4.358 . 0 0 "[ . 1 . 2]" 1
1036 1 71 VAL HA 1 82 LEU MD1 3.600 . 5.400 2.659 2.241 3.467 . 0 0 "[ . 1 . 2]" 1
1037 1 71 VAL HA 1 71 VAL MG1 3.200 . 4.600 2.478 2.395 2.585 . 0 0 "[ . 1 . 2]" 1
1038 1 71 VAL HA 1 71 VAL HB 2.700 . 3.600 2.429 2.351 2.504 . 0 0 "[ . 1 . 2]" 1
1039 1 71 VAL HA 1 82 LEU MD2 3.800 . 5.800 4.317 3.541 4.883 . 0 0 "[ . 1 . 2]" 1
1040 1 71 VAL HA 1 82 LEU HA 2.700 . 3.600 1.885 1.776 2.134 0.024 6 0 "[ . 1 . 2]" 1
1041 1 71 VAL MG2 1 82 LEU HA 3.800 . 5.800 4.499 4.281 4.644 . 0 0 "[ . 1 . 2]" 1
1042 1 71 VAL MG2 1 82 LEU MD1 3.700 . 5.600 3.839 3.721 3.930 . 0 0 "[ . 1 . 2]" 1
1043 1 71 VAL QG 1 82 LEU QD 5.000 . 8.200 1.766 1.705 1.818 0.095 14 0 "[ . 1 . 2]" 1
1044 1 72 GLU HB2 1 83 THR MG 3.600 . 5.400 2.725 1.854 3.949 . 0 0 "[ . 1 . 2]" 1
1045 1 72 GLU HB2 1 72 GLU HG3 2.700 . 3.600 2.444 2.392 2.494 . 0 0 "[ . 1 . 2]" 1
1046 1 72 GLU HB3 1 72 GLU HG3 2.700 . 3.600 3.011 3.001 3.018 . 0 0 "[ . 1 . 2]" 1
1047 1 72 GLU HB2 1 83 THR HA 3.300 . 4.800 3.323 2.209 4.398 . 0 0 "[ . 1 . 2]" 1
1048 1 74 LYS HB3 1 74 LYS HG3 2.700 . 3.600 2.741 2.370 3.012 . 0 0 "[ . 1 . 2]" 1
1049 1 74 LYS HB2 1 74 LYS HG3 2.700 . 3.600 2.361 2.271 2.511 . 0 0 "[ . 1 . 2]" 1
1050 1 74 LYS HE2 1 74 LYS HG3 3.100 . 4.400 3.041 2.423 4.303 . 0 0 "[ . 1 . 2]" 1
1051 1 74 LYS HE2 1 74 LYS HG2 3.300 . 4.800 3.465 2.490 4.271 . 0 0 "[ . 1 . 2]" 1
1052 1 74 LYS HD3 1 74 LYS HE2 2.700 . 3.600 2.426 2.346 2.527 . 0 0 "[ . 1 . 2]" 1
1053 1 74 LYS HE3 1 74 LYS HG2 3.100 . 4.400 3.377 2.356 3.800 . 0 0 "[ . 1 . 2]" 1
1054 1 74 LYS HA 1 74 LYS HG2 2.700 . 3.600 3.295 2.572 3.678 0.078 20 0 "[ . 1 . 2]" 1
1055 1 74 LYS HA 1 74 LYS HG3 3.100 . 4.400 3.717 2.723 3.917 . 0 0 "[ . 1 . 2]" 1
1056 1 74 LYS HB2 1 74 LYS HE3 3.100 . 4.400 3.490 2.059 4.503 0.103 1 0 "[ . 1 . 2]" 1
1057 1 75 ASP HA 1 75 ASP HB2 2.700 . 3.600 2.526 2.396 3.029 . 0 0 "[ . 1 . 2]" 1
1058 1 75 ASP HA 1 75 ASP HB3 2.700 . 3.600 2.920 2.456 3.037 . 0 0 "[ . 1 . 2]" 1
1059 1 76 GLN QB 1 96 PRO QD 4.000 . 6.200 4.594 3.635 4.838 . 0 0 "[ . 1 . 2]" 1
1060 1 76 GLN HA 1 76 GLN QG 3.550 . 5.300 3.044 2.382 3.503 . 0 0 "[ . 1 . 2]" 1
1061 1 76 GLN HA 1 76 GLN HB3 2.700 . 3.600 2.344 2.228 2.434 . 0 0 "[ . 1 . 2]" 1
1062 1 76 GLN HA 1 76 GLN HB2 2.700 . 3.600 2.702 2.412 3.018 . 0 0 "[ . 1 . 2]" 1
1063 1 78 CYS HB3 1 95 GLU HA 3.300 . 4.800 3.303 2.740 4.059 . 0 0 "[ . 1 . 2]" 1
1064 1 78 CYS HB2 1 95 GLU HA 3.300 . 4.800 2.678 2.318 3.499 . 0 0 "[ . 1 . 2]" 1
1065 1 78 CYS HB2 1 94 ALA MB 3.200 . 4.600 3.549 3.256 3.740 . 0 0 "[ . 1 . 2]" 1
1066 1 78 CYS HB3 1 94 ALA MB 3.200 . 4.600 2.247 1.962 2.405 . 0 0 "[ . 1 . 2]" 1
1067 1 78 CYS HB2 1 96 PRO HD3 3.100 . 4.400 2.419 1.968 3.455 . 0 0 "[ . 1 . 2]" 1
1068 1 78 CYS HB3 1 96 PRO HD3 3.100 . 4.400 3.689 3.283 4.420 0.020 13 0 "[ . 1 . 2]" 1
1069 1 78 CYS HA 1 78 CYS HB2 2.700 . 3.600 2.997 2.976 3.022 . 0 0 "[ . 1 . 2]" 1
1070 1 78 CYS HA 1 78 CYS HB3 2.700 . 3.600 2.472 2.428 2.523 . 0 0 "[ . 1 . 2]" 1
1071 1 79 LYS HD2 1 79 LYS HG2 2.700 . 3.600 2.790 2.414 3.003 . 0 0 "[ . 1 . 2]" 1
1072 1 79 LYS HB2 1 79 LYS HG3 2.700 . 3.600 2.927 2.372 3.005 . 0 0 "[ . 1 . 2]" 1
1073 1 79 LYS HB2 1 79 LYS HD2 2.300 . 2.800 2.428 2.050 2.921 0.121 1 0 "[ . 1 . 2]" 1
1074 1 79 LYS HB2 1 79 LYS HG2 2.700 . 3.600 2.453 2.319 3.001 . 0 0 "[ . 1 . 2]" 1
1075 1 79 LYS HE3 1 79 LYS HG3 3.100 . 4.400 2.809 2.473 3.151 . 0 0 "[ . 1 . 2]" 1
1076 1 79 LYS HE3 1 79 LYS HG2 3.100 . 4.400 3.157 2.142 3.846 . 0 0 "[ . 1 . 2]" 1
1077 1 79 LYS HA 1 79 LYS HD2 3.100 . 4.400 2.577 2.197 4.275 . 0 0 "[ . 1 . 2]" 1
1078 1 79 LYS HA 1 79 LYS HB2 2.300 . 2.800 2.745 2.441 2.934 0.134 2 0 "[ . 1 . 2]" 1
1079 1 79 LYS HB2 1 79 LYS HE3 2.700 . 3.600 3.578 2.130 3.745 0.145 2 0 "[ . 1 . 2]" 1
1080 1 80 VAL MG2 1 82 LEU HG 3.600 . 5.400 4.486 4.411 4.546 . 0 0 "[ . 1 . 2]" 1
1081 1 80 VAL HA 1 80 VAL HB 2.700 . 3.600 2.405 2.369 2.439 . 0 0 "[ . 1 . 2]" 1
1082 1 80 VAL HA 1 80 VAL MG2 3.200 . 4.600 2.411 2.345 2.462 . 0 0 "[ . 1 . 2]" 1
1083 1 80 VAL HA 1 80 VAL MG1 3.200 . 4.600 3.234 3.213 3.253 . 0 0 "[ . 1 . 2]" 1
1084 1 80 VAL QG 1 92 LEU QD 5.350 . 8.900 1.878 1.782 2.052 0.018 9 0 "[ . 1 . 2]" 1
1085 1 80 VAL MG2 1 88 ALA MB 3.700 . 5.600 2.076 1.893 2.423 . 0 0 "[ . 1 . 2]" 1
1086 1 81 ILE HB 1 81 ILE MD 3.200 . 4.600 2.411 2.370 2.457 . 0 0 "[ . 1 . 2]" 1
1087 1 81 ILE HB 1 81 ILE HG12 2.700 . 3.600 2.968 2.505 3.021 . 0 0 "[ . 1 . 2]" 1
1088 1 81 ILE HA 1 81 ILE MD 3.200 . 4.600 3.775 2.828 3.905 . 0 0 "[ . 1 . 2]" 1
1089 1 81 ILE HA 1 81 ILE HG13 2.700 . 3.600 2.827 2.428 2.931 . 0 0 "[ . 1 . 2]" 1
1090 1 81 ILE HA 1 81 ILE MG 2.800 . 3.800 2.442 2.390 2.572 . 0 0 "[ . 1 . 2]" 1
1091 1 81 ILE HA 1 81 ILE HG12 2.700 . 3.600 2.664 2.466 3.661 0.061 13 0 "[ . 1 . 2]" 1
1092 1 81 ILE HA 1 81 ILE HB 2.700 . 3.600 3.043 3.023 3.056 . 0 0 "[ . 1 . 2]" 1
1093 1 82 LEU HB3 1 82 LEU MD2 3.200 . 4.600 3.125 2.352 3.224 . 0 0 "[ . 1 . 2]" 1
1094 1 82 LEU HB2 1 82 LEU MD1 3.200 . 4.600 3.160 2.582 3.213 . 0 0 "[ . 1 . 2]" 1
1095 1 82 LEU HA 1 82 LEU MD2 3.200 . 4.600 3.040 2.446 3.802 . 0 0 "[ . 1 . 2]" 1
1096 1 82 LEU HA 1 82 LEU HG 3.100 . 4.400 3.643 2.730 3.783 . 0 0 "[ . 1 . 2]" 1
1097 1 82 LEU HA 1 82 LEU HB2 2.700 . 3.600 2.994 2.960 3.010 . 0 0 "[ . 1 . 2]" 1
1098 1 82 LEU HA 1 82 LEU HB3 2.700 . 3.600 2.488 2.413 2.603 . 0 0 "[ . 1 . 2]" 1
1099 1 82 LEU HA 1 82 LEU MD1 3.200 . 4.600 2.052 1.954 2.331 . 0 0 "[ . 1 . 2]" 1
1100 1 82 LEU HA 1 83 THR MG 3.600 . 5.400 3.753 3.258 4.135 . 0 0 "[ . 1 . 2]" 1
1101 1 82 LEU QD 1 89 PRO QD 4.700 . 7.600 3.815 3.267 4.118 . 0 0 "[ . 1 . 2]" 1
1102 1 82 LEU QD 1 86 LYS QB 4.700 . 7.600 2.597 2.002 3.325 . 0 0 "[ . 1 . 2]" 1
1103 1 82 LEU MD1 1 88 ALA HA 3.800 . 5.800 4.333 3.712 4.719 . 0 0 "[ . 1 . 2]" 1
1104 1 82 LEU MD2 1 88 ALA HA 3.200 . 4.600 2.927 2.270 3.401 . 0 0 "[ . 1 . 2]" 1
1105 1 82 LEU HG 1 88 ALA MB 3.200 . 4.600 3.614 3.522 3.745 . 0 0 "[ . 1 . 2]" 1
1106 1 82 LEU HB3 1 82 LEU MD1 3.200 . 4.600 2.507 2.321 3.222 . 0 0 "[ . 1 . 2]" 1
1107 1 82 LEU MD1 1 88 ALA MB 3.700 . 5.600 2.658 1.823 3.506 . 0 0 "[ . 1 . 2]" 1
1108 1 83 THR HA 1 83 THR MG 2.800 . 3.800 2.664 2.143 3.223 . 0 0 "[ . 1 . 2]" 1
1109 1 83 THR HA 1 83 THR HB 2.300 . 2.800 2.506 2.468 2.560 . 0 0 "[ . 1 . 2]" 1
1110 1 86 LYS HB3 1 86 LYS HD3 2.700 . 3.600 3.034 2.420 3.651 0.051 18 0 "[ . 1 . 2]" 1
1111 1 86 LYS QB 1 86 LYS QE 4.200 . 6.600 3.192 1.897 3.772 . 0 0 "[ . 1 . 2]" 1
1112 1 86 LYS HA 1 86 LYS QG 3.150 . 4.500 2.650 2.384 2.918 . 0 0 "[ . 1 . 2]" 1
1113 1 86 LYS HA 1 86 LYS QD 3.550 . 5.300 2.681 2.053 4.010 . 0 0 "[ . 1 . 2]" 1
1114 1 87 GLN HB2 1 87 GLN HG3 2.700 . 3.600 2.505 2.360 3.009 . 0 0 "[ . 1 . 2]" 1
1115 1 87 GLN HA 1 87 GLN HB2 2.700 . 3.600 2.799 2.439 3.045 . 0 0 "[ . 1 . 2]" 1
1116 1 87 GLN HA 1 87 GLN QG 3.150 . 4.500 2.510 2.393 3.036 . 0 0 "[ . 1 . 2]" 1
1117 1 88 ALA MB 1 89 PRO HD2 3.200 . 4.600 2.187 1.834 2.629 . 0 0 "[ . 1 . 2]" 1
1118 1 88 ALA MB 1 89 PRO HD3 3.200 . 4.600 3.075 2.511 3.609 . 0 0 "[ . 1 . 2]" 1
1119 1 88 ALA HA 1 89 PRO HD3 2.700 . 3.600 2.280 1.933 2.805 . 0 0 "[ . 1 . 2]" 1
1120 1 88 ALA HA 1 89 PRO HD2 2.700 . 3.600 2.730 2.132 3.316 . 0 0 "[ . 1 . 2]" 1
1121 1 88 ALA HA 1 92 LEU MD2 3.800 . 5.800 3.843 3.348 4.182 . 0 0 "[ . 1 . 2]" 1
1122 1 88 ALA MB 1 92 LEU MD1 3.700 . 5.600 3.923 3.864 3.975 . 0 0 "[ . 1 . 2]" 1
1123 1 88 ALA MB 1 92 LEU MD2 3.700 . 5.600 1.801 1.742 1.928 0.058 9 0 "[ . 1 . 2]" 1
1124 1 88 ALA MB 1 92 LEU QB 4.050 . 6.300 2.376 2.175 2.630 . 0 0 "[ . 1 . 2]" 1
1125 1 89 PRO HD2 1 92 LEU MD2 3.600 . 5.400 2.830 2.410 3.359 . 0 0 "[ . 1 . 2]" 1
1126 1 89 PRO HD2 1 92 LEU HB2 3.300 . 4.800 3.155 2.874 3.841 . 0 0 "[ . 1 . 2]" 1
1127 1 89 PRO HB2 1 89 PRO HD2 3.300 . 4.800 3.179 2.795 4.057 . 0 0 "[ . 1 . 2]" 1
1128 1 89 PRO HD2 1 92 LEU HB3 3.300 . 4.800 3.478 3.177 4.208 . 0 0 "[ . 1 . 2]" 1
1129 1 89 PRO HB2 1 89 PRO HD3 3.300 . 4.800 3.829 3.793 3.867 . 0 0 "[ . 1 . 2]" 1
1130 1 89 PRO HD3 1 92 LEU MD2 3.600 . 5.400 4.090 3.835 4.362 . 0 0 "[ . 1 . 2]" 1
1131 1 89 PRO HD3 1 92 LEU HB2 3.300 . 4.800 4.782 4.642 4.868 0.068 18 0 "[ . 1 . 2]" 1
1132 1 89 PRO HB3 1 89 PRO HD3 3.100 . 4.400 3.734 2.800 4.045 . 0 0 "[ . 1 . 2]" 1
1133 1 89 PRO HA 1 91 TRP HD1 3.300 . 4.800 4.878 4.845 4.904 0.104 5 0 "[ . 1 . 2]" 1
1134 1 89 PRO HB2 1 91 TRP HD1 3.100 . 4.400 3.272 2.670 3.982 . 0 0 "[ . 1 . 2]" 1
1135 1 89 PRO HD2 1 92 LEU MD1 3.800 . 5.800 4.409 4.037 4.790 . 0 0 "[ . 1 . 2]" 1
1136 1 89 PRO HB3 1 91 TRP HD1 3.100 . 4.400 3.289 3.015 3.760 . 0 0 "[ . 1 . 2]" 1
1137 1 89 PRO HA 1 89 PRO HG2 3.100 . 4.400 3.891 3.813 3.975 . 0 0 "[ . 1 . 2]" 1
1138 1 89 PRO HA 1 89 PRO HD3 3.100 . 4.400 3.574 3.074 3.831 . 0 0 "[ . 1 . 2]" 1
1139 1 89 PRO HA 1 89 PRO HB3 2.700 . 3.600 2.277 2.239 2.315 . 0 0 "[ . 1 . 2]" 1
1140 1 89 PRO HA 1 89 PRO HD2 3.100 . 4.400 3.964 3.903 4.097 . 0 0 "[ . 1 . 2]" 1
1141 1 89 PRO HA 1 89 PRO HG3 3.100 . 4.400 3.180 2.771 3.992 . 0 0 "[ . 1 . 2]" 1
1142 1 89 PRO HB2 1 91 TRP HZ2 3.300 . 4.800 4.155 3.933 4.562 . 0 0 "[ . 1 . 2]" 1
1143 1 90 ASP HA 1 90 ASP HB2 2.700 . 3.600 2.616 2.383 3.026 . 0 0 "[ . 1 . 2]" 1
1144 1 90 ASP HA 1 90 ASP HB3 2.700 . 3.600 2.769 2.405 3.028 . 0 0 "[ . 1 . 2]" 1
1145 1 91 TRP HE3 1 92 LEU QB 3.750 . 5.700 3.704 3.482 4.277 . 0 0 "[ . 1 . 2]" 1
1146 1 91 TRP HB3 1 91 TRP HE3 3.100 . 4.400 4.242 4.160 4.320 . 0 0 "[ . 1 . 2]" 1
1147 1 91 TRP HA 1 91 TRP HB2 2.700 . 3.600 2.497 2.455 2.536 . 0 0 "[ . 1 . 2]" 1
1148 1 91 TRP HA 1 91 TRP HB3 2.700 . 3.600 2.394 2.341 2.424 . 0 0 "[ . 1 . 2]" 1
1149 1 91 TRP HE3 1 92 LEU HA 3.300 . 4.800 2.908 2.682 3.389 . 0 0 "[ . 1 . 2]" 1
1150 1 91 TRP HE3 1 92 LEU QD 4.250 . 6.700 3.360 3.134 3.846 . 0 0 "[ . 1 . 2]" 1
1151 1 91 TRP HZ3 1 92 LEU QD 3.850 . 5.900 2.639 2.388 3.566 . 0 0 "[ . 1 . 2]" 1
1152 1 91 TRP HB2 1 91 TRP HD1 2.700 . 3.600 3.684 3.655 3.708 0.108 13 0 "[ . 1 . 2]" 1
1153 1 91 TRP HZ3 1 92 LEU QB 3.750 . 5.700 3.902 3.506 4.726 . 0 0 "[ . 1 . 2]" 1
1154 1 91 TRP HB3 1 91 TRP HD1 3.100 . 4.400 2.524 2.490 2.559 . 0 0 "[ . 1 . 2]" 1
1155 1 92 LEU HA 1 92 LEU HG 3.300 . 4.800 3.064 2.936 3.323 . 0 0 "[ . 1 . 2]" 1
1156 1 92 LEU HB2 1 92 LEU MD1 3.200 . 4.600 2.312 2.228 2.410 . 0 0 "[ . 1 . 2]" 1
1157 1 92 LEU HB3 1 92 LEU MD2 3.200 . 4.600 2.373 2.293 2.438 . 0 0 "[ . 1 . 2]" 1
1158 1 95 GLU HA 1 95 GLU HB2 2.700 . 3.600 2.528 2.471 2.566 . 0 0 "[ . 1 . 2]" 1
1159 1 95 GLU HA 1 96 PRO HD2 2.700 . 3.600 2.356 2.111 2.617 . 0 0 "[ . 1 . 2]" 1
1160 1 95 GLU HA 1 95 GLU HB3 2.700 . 3.600 2.455 2.395 2.509 . 0 0 "[ . 1 . 2]" 1
1161 1 95 GLU HA 1 95 GLU HG3 3.100 . 4.400 3.758 3.678 3.817 . 0 0 "[ . 1 . 2]" 1
1162 1 95 GLU HA 1 96 PRO HD3 2.700 . 3.600 2.609 2.022 2.829 . 0 0 "[ . 1 . 2]" 1
1163 1 95 GLU HB2 1 95 GLU HG3 2.700 . 3.600 2.439 2.383 2.545 . 0 0 "[ . 1 . 2]" 1
1164 1 95 GLU HB3 1 95 GLU HG3 2.700 . 3.600 2.999 2.986 3.010 . 0 0 "[ . 1 . 2]" 1
1165 1 95 GLU HB2 1 96 PRO HD2 3.100 . 4.400 2.621 2.289 3.012 . 0 0 "[ . 1 . 2]" 1
1166 1 96 PRO HB3 1 96 PRO HD3 3.100 . 4.400 2.628 2.469 3.871 . 0 0 "[ . 1 . 2]" 1
1167 1 96 PRO HB2 1 96 PRO HD3 2.700 . 3.600 3.720 3.681 3.793 0.193 5 0 "[ . 1 . 2]" 1
1168 1 96 PRO HB3 1 96 PRO HD2 3.300 . 4.800 3.721 3.646 3.970 . 0 0 "[ . 1 . 2]" 1
1169 1 96 PRO HA 1 96 PRO HB3 2.700 . 3.600 2.323 2.282 2.350 . 0 0 "[ . 1 . 2]" 1
1170 1 96 PRO HA 1 96 PRO HD2 3.300 . 4.800 4.103 4.006 4.142 . 0 0 "[ . 1 . 2]" 1
1171 1 96 PRO HA 1 96 PRO QG 3.550 . 5.300 3.459 3.155 3.490 . 0 0 "[ . 1 . 2]" 1
1172 1 96 PRO HA 1 96 PRO HD3 3.300 . 4.800 3.481 3.310 3.800 . 0 0 "[ . 1 . 2]" 1
1173 1 97 TYR HA 1 97 TYR HB3 2.700 . 3.600 2.661 2.502 3.016 . 0 0 "[ . 1 . 2]" 1
1174 1 97 TYR HA 1 97 TYR HB2 2.700 . 3.600 2.253 2.155 2.318 . 0 0 "[ . 1 . 2]" 1
1175 1 97 TYR HA 1 97 TYR QE 4.350 . 6.900 5.551 4.923 5.730 . 0 0 "[ . 1 . 2]" 1
1176 1 97 TYR HB2 1 97 TYR QE 4.150 . 6.500 4.396 4.333 4.471 . 0 0 "[ . 1 . 2]" 1
1177 1 97 TYR HB3 1 97 TYR QE 4.350 . 6.900 4.442 4.402 4.516 . 0 0 "[ . 1 . 2]" 1
1178 1 97 TYR HA 1 97 TYR QD 3.750 . 5.700 3.574 2.836 3.767 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 20
_Distance_constraint_stats_list.Viol_count 178
_Distance_constraint_stats_list.Viol_total 105.577
_Distance_constraint_stats_list.Viol_max 0.088
_Distance_constraint_stats_list.Viol_rms 0.0202
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0132
_Distance_constraint_stats_list.Viol_average_violations_only 0.0297
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 35 ARG 0.015 0.011 7 0 "[ . 1 . 2]"
1 36 SER 0.239 0.063 12 0 "[ . 1 . 2]"
1 37 CYS 1.164 0.072 14 0 "[ . 1 . 2]"
1 38 VAL 0.392 0.045 9 0 "[ . 1 . 2]"
1 39 TYR 0.057 0.032 20 0 "[ . 1 . 2]"
1 40 TYR 0.333 0.047 16 0 "[ . 1 . 2]"
1 41 ASP 0.028 0.025 10 0 "[ . 1 . 2]"
1 42 GLY 0.656 0.054 19 0 "[ . 1 . 2]"
1 49 VAL 0.028 0.025 10 0 "[ . 1 . 2]"
1 52 MET 0.057 0.032 20 0 "[ . 1 . 2]"
1 54 VAL 1.164 0.072 14 0 "[ . 1 . 2]"
1 55 ARG 0.213 0.076 19 0 "[ . 1 . 2]"
1 56 ILE 0.015 0.011 7 0 "[ . 1 . 2]"
1 57 GLY 0.510 0.088 2 0 "[ . 1 . 2]"
1 58 ASN 0.213 0.076 19 0 "[ . 1 . 2]"
1 60 ALA 0.064 0.035 7 0 "[ . 1 . 2]"
1 62 ILE 1.401 0.084 4 0 "[ . 1 . 2]"
1 64 ALA 0.181 0.043 20 0 "[ . 1 . 2]"
1 67 HIS 0.181 0.043 20 0 "[ . 1 . 2]"
1 69 PHE 1.401 0.084 4 0 "[ . 1 . 2]"
1 71 VAL 0.064 0.035 7 0 "[ . 1 . 2]"
1 72 GLU 0.025 0.013 6 0 "[ . 1 . 2]"
1 73 ALA 0.510 0.088 2 0 "[ . 1 . 2]"
1 81 ILE 0.025 0.013 6 0 "[ . 1 . 2]"
1 91 TRP 0.656 0.054 19 0 "[ . 1 . 2]"
1 93 ALA 0.333 0.047 16 0 "[ . 1 . 2]"
1 95 GLU 0.392 0.045 9 0 "[ . 1 . 2]"
1 97 TYR 0.239 0.063 12 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 37 CYS H 1 54 VAL O 2.100 . 2.400 1.758 1.728 1.792 0.072 14 0 "[ . 1 . 2]" 2
2 1 38 VAL H 1 95 GLU O 2.100 . 2.400 1.784 1.755 1.827 0.045 9 0 "[ . 1 . 2]" 2
3 1 39 TYR H 1 52 MET O 2.100 . 2.400 1.851 1.768 1.987 0.032 20 0 "[ . 1 . 2]" 2
4 1 40 TYR H 1 93 ALA O 2.100 . 2.400 1.815 1.753 1.915 0.047 16 0 "[ . 1 . 2]" 2
5 1 41 ASP H 1 49 VAL O 2.100 . 2.400 1.901 1.775 2.021 0.025 10 0 "[ . 1 . 2]" 2
6 1 42 GLY H 1 91 TRP O 2.100 . 2.400 1.767 1.746 1.791 0.054 19 0 "[ . 1 . 2]" 2
7 1 37 CYS O 1 54 VAL H 2.100 . 2.400 1.796 1.755 1.887 0.045 19 0 "[ . 1 . 2]" 2
8 1 35 ARG O 1 56 ILE H 2.100 . 2.400 1.982 1.795 2.411 0.011 7 0 "[ . 1 . 2]" 2
9 1 57 GLY H 1 73 ALA O 2.100 . 2.400 1.801 1.712 1.940 0.088 2 0 "[ . 1 . 2]" 2
10 1 55 ARG O 1 58 ASN H 2.100 . 2.400 2.223 1.998 2.476 0.076 19 0 "[ . 1 . 2]" 2
11 1 60 ALA H 1 71 VAL O 2.100 . 2.400 1.996 1.840 2.274 . 0 0 "[ . 1 . 2]" 2
12 1 62 ILE H 1 69 PHE O 2.100 . 2.400 1.782 1.735 1.859 0.065 20 0 "[ . 1 . 2]" 2
13 1 64 ALA H 1 67 HIS O 2.100 . 2.400 1.812 1.757 1.924 0.043 20 0 "[ . 1 . 2]" 2
14 1 62 ILE O 1 69 PHE H 2.100 . 2.400 1.753 1.716 1.804 0.084 4 0 "[ . 1 . 2]" 2
15 1 60 ALA O 1 71 VAL H 2.100 . 2.400 1.830 1.765 1.916 0.035 7 0 "[ . 1 . 2]" 2
16 1 72 GLU H 1 81 ILE O 2.100 . 2.400 2.067 1.787 2.296 0.013 6 0 "[ . 1 . 2]" 2
17 1 58 ASN O 1 73 ALA H 2.100 . 2.400 2.045 1.851 2.255 . 0 0 "[ . 1 . 2]" 2
18 1 40 TYR O 1 93 ALA H 2.100 . 2.400 1.823 1.767 1.991 0.033 19 0 "[ . 1 . 2]" 2
19 1 38 VAL O 1 95 GLU H 2.100 . 2.400 2.071 1.963 2.184 . 0 0 "[ . 1 . 2]" 2
20 1 36 SER O 1 97 TYR H 2.100 . 2.400 2.326 2.123 2.463 0.063 12 0 "[ . 1 . 2]" 2
stop_
save_
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