NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
556115 |
2m14   |
18842 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m14
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 1279
_Distance_constraint_stats_list.Viol_count 1479
_Distance_constraint_stats_list.Viol_total 1569.399
_Distance_constraint_stats_list.Viol_max 0.416
_Distance_constraint_stats_list.Viol_rms 0.0189
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0531
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 PRO 0.406 0.122 4 0 "[ . 1 . 2]"
1 2 SER 0.398 0.122 4 0 "[ . 1 . 2]"
1 3 HIS 0.330 0.043 13 0 "[ . 1 . 2]"
1 4 SER 0.155 0.022 16 0 "[ . 1 . 2]"
1 5 GLY 1.463 0.080 9 0 "[ . 1 . 2]"
1 6 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ALA 0.093 0.016 14 0 "[ . 1 . 2]"
1 8 ILE 1.359 0.150 11 0 "[ . 1 . 2]"
1 9 PHE 0.766 0.068 10 0 "[ . 1 . 2]"
1 10 GLU 0.171 0.121 11 0 "[ . 1 . 2]"
1 11 LYS 0.121 0.121 11 0 "[ . 1 . 2]"
1 12 VAL 3.289 0.096 8 0 "[ . 1 . 2]"
1 13 SER 2.138 0.150 11 0 "[ . 1 . 2]"
1 14 GLY 0.028 0.010 12 0 "[ . 1 . 2]"
1 15 ILE 0.338 0.021 19 0 "[ . 1 . 2]"
1 16 ILE 2.054 0.080 9 0 "[ . 1 . 2]"
1 17 ALA 0.217 0.029 9 0 "[ . 1 . 2]"
1 18 ILE 0.003 0.001 16 0 "[ . 1 . 2]"
1 19 ASN 0.789 0.044 16 0 "[ . 1 . 2]"
1 20 GLU 0.350 0.035 20 0 "[ . 1 . 2]"
1 21 ASP 0.002 0.002 6 0 "[ . 1 . 2]"
1 22 VAL 1.006 0.044 16 0 "[ . 1 . 2]"
1 23 SER 0.024 0.010 6 0 "[ . 1 . 2]"
1 24 PRO 1.264 0.213 2 0 "[ . 1 . 2]"
1 25 ALA 2.302 0.213 2 0 "[ . 1 . 2]"
1 26 GLU 0.054 0.020 6 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 0.297 0.031 8 0 "[ . 1 . 2]"
1 29 TRP 3.691 0.138 16 0 "[ . 1 . 2]"
1 30 ARG 1.191 0.062 10 0 "[ . 1 . 2]"
1 31 SER 0.143 0.015 7 0 "[ . 1 . 2]"
1 32 THR 5.385 0.103 4 0 "[ . 1 . 2]"
1 33 ASP 6.027 0.117 6 0 "[ . 1 . 2]"
1 34 GLY 2.757 0.117 6 0 "[ . 1 . 2]"
1 35 ASP 0.445 0.024 17 0 "[ . 1 . 2]"
1 36 LYS 2.146 0.096 8 0 "[ . 1 . 2]"
1 37 VAL 0.389 0.032 9 0 "[ . 1 . 2]"
1 38 HIS 0.090 0.015 7 0 "[ . 1 . 2]"
1 39 THR 0.127 0.031 8 0 "[ . 1 . 2]"
1 40 VAL 3.048 0.139 1 0 "[ . 1 . 2]"
1 41 VAL 2.378 0.139 1 0 "[ . 1 . 2]"
1 42 LEU 0.054 0.020 6 0 "[ . 1 . 2]"
1 43 SER 1.305 0.091 6 0 "[ . 1 . 2]"
1 44 THR 3.111 0.091 6 0 "[ . 1 . 2]"
1 45 ILE 2.056 0.076 6 0 "[ . 1 . 2]"
1 46 ASP 0.239 0.073 5 0 "[ . 1 . 2]"
1 47 LYS 0.782 0.081 8 0 "[ . 1 . 2]"
1 48 LEU 2.571 0.308 12 0 "[ . 1 . 2]"
1 49 GLN 0.229 0.046 9 0 "[ . 1 . 2]"
1 50 ALA 0.086 0.013 17 0 "[ . 1 . 2]"
1 51 THR 2.122 0.101 11 0 "[ . 1 . 2]"
1 52 PRO 1.854 0.101 11 0 "[ . 1 . 2]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 SER 0.595 0.033 6 0 "[ . 1 . 2]"
1 55 SER 0.595 0.033 6 0 "[ . 1 . 2]"
1 56 GLU 0.820 0.068 15 0 "[ . 1 . 2]"
1 57 LYS 0.901 0.081 5 0 "[ . 1 . 2]"
1 58 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 MET 0.109 0.086 5 0 "[ . 1 . 2]"
1 60 LEU 0.858 0.043 12 0 "[ . 1 . 2]"
1 61 ARG 0.231 0.046 9 0 "[ . 1 . 2]"
1 62 LEU 2.081 0.081 8 0 "[ . 1 . 2]"
1 63 ILE 0.464 0.092 16 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LYS 0.577 0.042 18 0 "[ . 1 . 2]"
1 66 VAL 15.597 0.416 8 0 "[ . 1 . 2]"
1 67 ASP 14.163 0.416 8 0 "[ . 1 . 2]"
1 68 GLU 0.376 0.092 13 0 "[ . 1 . 2]"
1 69 SER 0.488 0.076 13 0 "[ . 1 . 2]"
1 70 LYS 0.249 0.031 11 0 "[ . 1 . 2]"
1 71 LYS 0.032 0.022 13 0 "[ . 1 . 2]"
1 72 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LYS 0.011 0.006 6 0 "[ . 1 . 2]"
1 74 ASP 0.103 0.034 7 0 "[ . 1 . 2]"
1 75 ASN 0.520 0.116 9 0 "[ . 1 . 2]"
1 76 GLU 1.748 0.116 9 0 "[ . 1 . 2]"
1 77 GLY 1.423 0.108 6 0 "[ . 1 . 2]"
1 78 ASN 0.207 0.055 9 0 "[ . 1 . 2]"
1 79 GLU 0.011 0.006 6 0 "[ . 1 . 2]"
1 80 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 VAL 0.063 0.055 9 0 "[ . 1 . 2]"
1 82 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 PRO 0.497 0.050 3 0 "[ . 1 . 2]"
1 85 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ARG 0.231 0.092 16 0 "[ . 1 . 2]"
1 87 HIS 0.038 0.009 3 0 "[ . 1 . 2]"
1 88 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 0.007 0.007 6 0 "[ . 1 . 2]"
1 90 SER 0.093 0.016 7 0 "[ . 1 . 2]"
1 91 PHE 0.590 0.043 12 0 "[ . 1 . 2]"
1 92 ASN 0.282 0.058 16 0 "[ . 1 . 2]"
1 93 ASN 1.796 0.112 16 0 "[ . 1 . 2]"
1 94 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 THR 3.830 0.142 8 0 "[ . 1 . 2]"
1 96 VAL 1.884 0.112 16 0 "[ . 1 . 2]"
1 97 MET 1.474 0.097 18 0 "[ . 1 . 2]"
1 98 ASP 1.711 0.097 18 0 "[ . 1 . 2]"
1 99 ASN 0.369 0.044 6 0 "[ . 1 . 2]"
1 100 ILE 0.008 0.008 20 0 "[ . 1 . 2]"
1 101 LYS 0.008 0.008 20 0 "[ . 1 . 2]"
1 102 MET 1.604 0.128 18 0 "[ . 1 . 2]"
1 103 THR 2.577 0.128 18 0 "[ . 1 . 2]"
1 104 LEU 1.366 0.150 10 0 "[ . 1 . 2]"
1 105 GLN 1.881 0.129 20 0 "[ . 1 . 2]"
1 106 GLN 3.967 0.129 20 0 "[ . 1 . 2]"
1 107 ILE 3.307 0.241 1 0 "[ . 1 . 2]"
1 108 ILE 5.084 0.278 15 0 "[ . 1 . 2]"
1 109 SER 0.990 0.059 4 0 "[ . 1 . 2]"
1 110 ARG 1.573 0.241 1 0 "[ . 1 . 2]"
1 111 TYR 0.797 0.226 13 0 "[ . 1 . 2]"
1 112 LYS 1.403 0.278 15 0 "[ . 1 . 2]"
1 113 ASP 0.859 0.115 8 0 "[ . 1 . 2]"
1 114 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 VAL 1.003 0.308 12 0 "[ . 1 . 2]"
2 26 THR 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 PRO HA 1 2 SER H 3.400 . 3.400 2.729 2.196 3.522 0.122 4 0 "[ . 1 . 2]" 1
2 1 1 PRO QB 1 2 SER H 5.600 . 5.600 3.673 2.684 3.970 . 0 0 "[ . 1 . 2]" 1
3 1 1 PRO QG 1 2 SER H 5.600 . 5.600 4.377 2.390 4.930 . 0 0 "[ . 1 . 2]" 1
4 1 2 SER H 1 2 SER QB 3.808 . 3.808 2.526 2.187 2.985 . 0 0 "[ . 1 . 2]" 1
5 1 2 SER H 1 4 SER H 5.000 . 5.000 4.069 3.504 4.997 . 0 0 "[ . 1 . 2]" 1
6 1 1 PRO HA 1 4 SER H 5.000 . 5.000 4.313 3.612 5.006 0.006 7 0 "[ . 1 . 2]" 1
7 1 2 SER HA 1 4 SER H 5.000 . 5.000 4.135 3.691 4.893 . 0 0 "[ . 1 . 2]" 1
8 1 3 HIS HA 1 4 SER H 2.800 . 2.800 2.754 2.591 2.822 0.022 16 0 "[ . 1 . 2]" 1
9 1 3 HIS QB 1 4 SER H 5.600 . 5.600 3.958 3.835 4.065 . 0 0 "[ . 1 . 2]" 1
10 1 4 SER H 1 4 SER QB 3.808 . 3.808 3.361 3.102 3.399 . 0 0 "[ . 1 . 2]" 1
11 1 4 SER H 1 17 ALA HA 5.000 . 5.000 4.552 4.492 4.641 . 0 0 "[ . 1 . 2]" 1
12 1 4 SER H 1 100 ILE MD 6.000 . 6.000 3.341 3.088 3.812 . 0 0 "[ . 1 . 2]" 1
13 1 4 SER HA 1 5 GLY H 2.800 . 2.800 2.170 2.156 2.182 . 0 0 "[ . 1 . 2]" 1
14 1 4 SER QB 1 5 GLY H 3.808 . 3.808 3.134 3.004 3.232 . 0 0 "[ . 1 . 2]" 1
15 1 5 GLY H 1 6 ALA H 5.000 . 5.000 4.386 4.215 4.411 . 0 0 "[ . 1 . 2]" 1
16 1 5 GLY H 1 15 ILE HA 5.000 . 5.000 5.015 5.008 5.021 0.021 19 0 "[ . 1 . 2]" 1
17 1 5 GLY H 1 16 ILE HA 5.000 . 5.000 4.533 4.514 4.574 . 0 0 "[ . 1 . 2]" 1
18 1 5 GLY H 1 16 ILE HB 3.400 . 3.400 3.458 3.447 3.480 0.080 9 0 "[ . 1 . 2]" 1
19 1 5 GLY H 1 16 ILE H 3.400 . 3.400 3.318 3.304 3.329 . 0 0 "[ . 1 . 2]" 1
20 1 5 GLY H 1 17 ALA HA 5.000 . 5.000 3.478 3.458 3.502 . 0 0 "[ . 1 . 2]" 1
21 1 5 GLY H 1 17 ALA MB 6.000 . 6.000 4.182 4.140 4.245 . 0 0 "[ . 1 . 2]" 1
22 1 5 GLY H 1 100 ILE MD 6.000 . 6.000 2.172 1.978 2.559 . 0 0 "[ . 1 . 2]" 1
23 1 5 GLY QA 1 6 ALA H 3.136 . 3.136 2.234 2.208 2.256 . 0 0 "[ . 1 . 2]" 1
24 1 6 ALA H 1 6 ALA MB 3.360 . 3.360 2.168 2.148 2.311 . 0 0 "[ . 1 . 2]" 1
25 1 6 ALA H 1 15 ILE HA 5.000 . 5.000 4.510 4.472 4.622 . 0 0 "[ . 1 . 2]" 1
26 1 6 ALA H 1 16 ILE H 5.000 . 5.000 4.370 4.228 4.424 . 0 0 "[ . 1 . 2]" 1
27 1 6 ALA H 1 96 VAL MG2 4.080 . 4.080 2.556 1.949 3.361 . 0 0 "[ . 1 . 2]" 1
28 1 6 ALA H 1 100 ILE MD 6.000 . 6.000 4.826 4.160 5.004 . 0 0 "[ . 1 . 2]" 1
29 1 6 ALA HA 1 7 ALA H 2.800 . 2.800 2.148 2.140 2.166 . 0 0 "[ . 1 . 2]" 1
30 1 6 ALA H 1 7 ALA H 5.000 . 5.000 4.324 4.193 4.366 . 0 0 "[ . 1 . 2]" 1
31 1 7 ALA H 1 15 ILE HA 3.400 . 3.400 2.523 2.460 2.606 . 0 0 "[ . 1 . 2]" 1
32 1 7 ALA H 1 15 ILE QG 5.600 . 5.600 5.028 5.020 5.035 . 0 0 "[ . 1 . 2]" 1
33 1 7 ALA H 1 16 ILE HB 3.400 . 3.400 2.934 2.866 3.011 . 0 0 "[ . 1 . 2]" 1
34 1 7 ALA H 1 16 ILE H 5.000 . 5.000 2.307 2.215 2.374 . 0 0 "[ . 1 . 2]" 1
35 1 7 ALA H 1 29 TRP HD1 5.000 . 5.000 3.363 3.253 3.534 . 0 0 "[ . 1 . 2]" 1
36 1 7 ALA H 1 29 TRP HE1 5.000 . 5.000 3.581 3.460 3.743 . 0 0 "[ . 1 . 2]" 1
37 1 7 ALA HA 1 8 ILE H 2.800 . 2.800 2.327 2.266 2.472 . 0 0 "[ . 1 . 2]" 1
38 1 8 ILE H 1 8 ILE HB 3.400 . 3.400 2.523 2.329 2.794 . 0 0 "[ . 1 . 2]" 1
39 1 8 ILE H 1 8 ILE QG 3.808 . 3.808 2.966 2.291 3.394 . 0 0 "[ . 1 . 2]" 1
40 1 8 ILE H 1 90 SER QB 5.600 . 5.600 4.079 3.751 4.772 . 0 0 "[ . 1 . 2]" 1
41 1 8 ILE H 1 91 PHE HA 5.000 . 5.000 3.745 3.154 4.218 . 0 0 "[ . 1 . 2]" 1
42 1 8 ILE HA 1 9 PHE H 2.800 . 2.800 2.243 2.220 2.273 . 0 0 "[ . 1 . 2]" 1
43 1 8 ILE HB 1 9 PHE H 5.000 . 5.000 3.972 3.686 4.140 . 0 0 "[ . 1 . 2]" 1
44 1 8 ILE MD 1 9 PHE H 6.000 . 6.000 4.578 3.856 4.989 . 0 0 "[ . 1 . 2]" 1
45 1 8 ILE QG 1 9 PHE H 5.600 . 5.600 4.009 3.607 4.661 . 0 0 "[ . 1 . 2]" 1
46 1 8 ILE MG 1 9 PHE H 4.080 . 4.080 2.165 2.047 2.286 . 0 0 "[ . 1 . 2]" 1
47 1 8 ILE H 1 9 PHE H 5.000 . 5.000 4.529 4.456 4.562 . 0 0 "[ . 1 . 2]" 1
48 1 9 PHE H 1 9 PHE QD 5.600 . 5.600 4.415 4.285 4.463 . 0 0 "[ . 1 . 2]" 1
49 1 9 PHE H 1 10 GLU H 5.000 . 5.000 4.176 3.966 4.320 . 0 0 "[ . 1 . 2]" 1
50 1 9 PHE H 1 12 VAL HB 5.000 . 5.000 5.038 5.013 5.068 0.068 10 0 "[ . 1 . 2]" 1
51 1 9 PHE H 1 13 SER HA 5.000 . 5.000 3.423 3.331 3.656 . 0 0 "[ . 1 . 2]" 1
52 1 9 PHE H 1 14 GLY H 5.000 . 5.000 4.259 3.745 4.797 . 0 0 "[ . 1 . 2]" 1
53 1 9 PHE H 1 29 TRP HH2 5.000 . 5.000 4.375 4.117 4.605 . 0 0 "[ . 1 . 2]" 1
54 1 9 PHE H 1 29 TRP HZ2 3.400 . 3.400 3.064 2.844 3.230 . 0 0 "[ . 1 . 2]" 1
55 1 9 PHE H 1 89 PHE QD 5.600 . 5.600 4.870 4.612 4.995 . 0 0 "[ . 1 . 2]" 1
56 1 8 ILE MG 1 10 GLU H 6.000 . 6.000 3.969 3.268 4.389 . 0 0 "[ . 1 . 2]" 1
57 1 9 PHE QB 1 10 GLU H 5.600 . 5.600 3.733 3.560 3.938 . 0 0 "[ . 1 . 2]" 1
58 1 9 PHE QD 1 10 GLU H 3.808 . 3.808 3.171 2.174 3.395 . 0 0 "[ . 1 . 2]" 1
59 1 9 PHE QE 1 10 GLU H 5.600 . 5.600 4.366 3.931 4.768 . 0 0 "[ . 1 . 2]" 1
60 1 10 GLU H 1 10 GLU QB 3.808 . 3.808 3.208 3.108 3.434 . 0 0 "[ . 1 . 2]" 1
61 1 10 GLU H 1 10 GLU QG 3.808 . 3.808 3.070 2.736 3.404 . 0 0 "[ . 1 . 2]" 1
62 1 8 ILE MG 1 11 LYS H 3.360 . 3.360 2.794 2.701 2.874 . 0 0 "[ . 1 . 2]" 1
63 1 9 PHE HA 1 11 LYS H 5.000 . 5.000 3.634 3.409 4.399 . 0 0 "[ . 1 . 2]" 1
64 1 10 GLU HA 1 11 LYS H 3.400 . 3.400 2.933 2.810 3.521 0.121 11 0 "[ . 1 . 2]" 1
65 1 10 GLU QG 1 11 LYS H 5.600 . 5.600 4.576 3.673 4.801 . 0 0 "[ . 1 . 2]" 1
66 1 11 LYS H 1 11 LYS QG 3.136 . 3.136 2.752 2.717 2.801 . 0 0 "[ . 1 . 2]" 1
67 1 8 ILE HA 1 12 VAL H 5.000 . 5.000 4.847 4.754 4.914 . 0 0 "[ . 1 . 2]" 1
68 1 8 ILE MG 1 12 VAL H 4.080 . 4.080 2.813 2.666 2.955 . 0 0 "[ . 1 . 2]" 1
69 1 9 PHE HA 1 12 VAL H 5.000 . 5.000 4.481 4.362 4.847 . 0 0 "[ . 1 . 2]" 1
70 1 10 GLU HA 1 12 VAL H 5.000 . 5.000 4.312 4.248 5.050 0.050 11 0 "[ . 1 . 2]" 1
71 1 10 GLU QB 1 12 VAL H 5.600 . 5.600 3.320 3.210 3.473 . 0 0 "[ . 1 . 2]" 1
72 1 10 GLU H 1 12 VAL H 5.000 . 5.000 4.139 3.999 4.691 . 0 0 "[ . 1 . 2]" 1
73 1 11 LYS HA 1 12 VAL H 3.400 . 3.400 3.326 3.295 3.394 . 0 0 "[ . 1 . 2]" 1
74 1 11 LYS QB 1 12 VAL H 5.600 . 5.600 3.385 3.259 3.437 . 0 0 "[ . 1 . 2]" 1
75 1 12 VAL H 1 12 VAL HB 2.800 . 2.800 2.841 2.815 2.860 0.060 10 0 "[ . 1 . 2]" 1
76 1 12 VAL H 1 12 VAL MG1 3.360 . 3.360 2.299 1.962 2.357 . 0 0 "[ . 1 . 2]" 1
77 1 12 VAL H 1 13 SER HA 5.000 . 5.000 5.039 5.026 5.069 0.069 11 0 "[ . 1 . 2]" 1
78 1 12 VAL H 1 13 SER H 5.000 . 5.000 4.485 4.409 4.529 . 0 0 "[ . 1 . 2]" 1
79 1 12 VAL H 1 29 TRP HH2 5.000 . 5.000 4.916 4.818 5.021 0.021 10 0 "[ . 1 . 2]" 1
80 1 12 VAL H 1 29 TRP HZ2 5.000 . 5.000 4.782 4.716 4.935 . 0 0 "[ . 1 . 2]" 1
81 1 8 ILE MD 1 13 SER H 6.000 . 6.000 4.210 3.393 4.958 . 0 0 "[ . 1 . 2]" 1
82 1 8 ILE QG 1 13 SER H 5.600 . 5.600 4.091 3.318 5.002 . 0 0 "[ . 1 . 2]" 1
83 1 8 ILE MG 1 13 SER H 6.000 . 6.000 3.569 2.897 4.236 . 0 0 "[ . 1 . 2]" 1
84 1 12 VAL HA 1 13 SER H 2.800 . 2.800 2.201 2.127 2.278 . 0 0 "[ . 1 . 2]" 1
85 1 12 VAL HB 1 13 SER H 5.000 . 5.000 4.146 4.049 4.242 . 0 0 "[ . 1 . 2]" 1
86 1 12 VAL MG2 1 13 SER H 3.360 . 3.360 2.193 1.966 2.522 . 0 0 "[ . 1 . 2]" 1
87 1 13 SER H 1 13 SER QB 3.136 . 3.136 2.768 2.642 2.798 . 0 0 "[ . 1 . 2]" 1
88 1 13 SER H 1 14 GLY H 5.000 . 5.000 4.526 4.394 4.619 . 0 0 "[ . 1 . 2]" 1
89 1 13 SER H 1 29 TRP HZ2 5.000 . 5.000 4.604 4.388 4.712 . 0 0 "[ . 1 . 2]" 1
90 1 8 ILE HA 1 14 GLY H 3.400 . 3.400 2.695 2.420 3.079 . 0 0 "[ . 1 . 2]" 1
91 1 8 ILE MD 1 14 GLY H 6.000 . 6.000 3.993 2.287 4.593 . 0 0 "[ . 1 . 2]" 1
92 1 8 ILE QG 1 14 GLY H 5.600 . 5.600 3.441 2.946 4.619 . 0 0 "[ . 1 . 2]" 1
93 1 8 ILE MG 1 14 GLY H 6.000 . 6.000 4.374 3.985 4.654 . 0 0 "[ . 1 . 2]" 1
94 1 13 SER HA 1 14 GLY H 2.800 . 2.800 2.196 2.118 2.354 . 0 0 "[ . 1 . 2]" 1
95 1 13 SER QB 1 14 GLY H 3.808 . 3.808 2.965 2.483 3.328 . 0 0 "[ . 1 . 2]" 1
96 1 14 GLY H 1 29 TRP HD1 5.000 . 5.000 4.640 4.446 5.010 0.010 12 0 "[ . 1 . 2]" 1
97 1 14 GLY H 1 29 TRP HZ2 5.000 . 5.000 3.342 2.727 3.967 . 0 0 "[ . 1 . 2]" 1
98 1 14 GLY QA 1 15 ILE H 3.808 . 3.808 2.152 2.126 2.192 . 0 0 "[ . 1 . 2]" 1
99 1 15 ILE H 1 15 ILE HB 3.400 . 3.400 2.933 2.890 2.977 . 0 0 "[ . 1 . 2]" 1
100 1 15 ILE H 1 16 ILE HA 5.000 . 5.000 4.641 4.606 4.701 . 0 0 "[ . 1 . 2]" 1
101 1 15 ILE H 1 16 ILE H 5.000 . 5.000 4.160 4.132 4.193 . 0 0 "[ . 1 . 2]" 1
102 1 15 ILE H 1 29 TRP HA 5.000 . 5.000 4.053 4.002 4.126 . 0 0 "[ . 1 . 2]" 1
103 1 15 ILE H 1 29 TRP HD1 5.000 . 5.000 3.368 3.287 3.493 . 0 0 "[ . 1 . 2]" 1
104 1 15 ILE H 1 29 TRP HE1 5.000 . 5.000 3.153 3.072 3.291 . 0 0 "[ . 1 . 2]" 1
105 1 15 ILE H 1 30 ARG QB 5.600 . 5.600 3.896 3.779 3.954 . 0 0 "[ . 1 . 2]" 1
106 1 15 ILE H 1 32 THR HA 5.000 . 5.000 4.959 4.808 5.007 0.007 6 0 "[ . 1 . 2]" 1
107 1 15 ILE H 1 32 THR H 5.000 . 5.000 4.552 4.474 4.626 . 0 0 "[ . 1 . 2]" 1
108 1 7 ALA MB 1 16 ILE H 6.000 . 6.000 3.197 3.114 3.282 . 0 0 "[ . 1 . 2]" 1
109 1 15 ILE HA 1 16 ILE H 2.800 . 2.800 2.130 2.124 2.135 . 0 0 "[ . 1 . 2]" 1
110 1 16 ILE H 1 16 ILE HB 3.400 . 3.400 2.247 2.233 2.261 . 0 0 "[ . 1 . 2]" 1
111 1 16 ILE H 1 29 TRP HD1 5.000 . 5.000 3.536 3.436 3.668 . 0 0 "[ . 1 . 2]" 1
112 1 5 GLY H 1 17 ALA H 5.000 . 5.000 4.721 4.701 4.752 . 0 0 "[ . 1 . 2]" 1
113 1 16 ILE HA 1 17 ALA H 2.800 . 2.800 2.137 2.126 2.149 . 0 0 "[ . 1 . 2]" 1
114 1 16 ILE HB 1 17 ALA H 5.000 . 5.000 4.495 4.483 4.506 . 0 0 "[ . 1 . 2]" 1
115 1 16 ILE MD 1 17 ALA H 6.000 . 6.000 4.800 4.751 4.833 . 0 0 "[ . 1 . 2]" 1
116 1 16 ILE QG 1 17 ALA H 3.808 . 3.808 3.425 3.414 3.439 . 0 0 "[ . 1 . 2]" 1
117 1 16 ILE H 1 17 ALA H 5.000 . 5.000 4.397 4.377 4.415 . 0 0 "[ . 1 . 2]" 1
118 1 17 ALA H 1 17 ALA MB 3.360 . 3.360 2.627 2.606 2.640 . 0 0 "[ . 1 . 2]" 1
119 1 17 ALA H 1 18 ILE H 5.000 . 5.000 4.277 4.205 4.320 . 0 0 "[ . 1 . 2]" 1
120 1 17 ALA H 1 27 LEU MD1 6.000 . 6.000 4.276 4.061 4.908 . 0 0 "[ . 1 . 2]" 1
121 1 17 ALA H 1 28 THR HB 5.000 . 5.000 4.047 3.885 4.179 . 0 0 "[ . 1 . 2]" 1
122 1 17 ALA H 1 28 THR H 3.400 . 3.400 3.353 3.296 3.406 0.006 15 0 "[ . 1 . 2]" 1
123 1 17 ALA H 1 29 TRP HA 3.400 . 3.400 3.150 3.062 3.234 . 0 0 "[ . 1 . 2]" 1
124 1 17 ALA H 1 29 TRP HD1 5.000 . 5.000 5.010 5.002 5.029 0.029 9 0 "[ . 1 . 2]" 1
125 1 3 HIS HA 1 18 ILE H 5.000 . 5.000 4.402 4.280 4.514 . 0 0 "[ . 1 . 2]" 1
126 1 3 HIS QB 1 18 ILE H 5.600 . 5.600 3.438 3.249 3.657 . 0 0 "[ . 1 . 2]" 1
127 1 3 HIS HD2 1 18 ILE H 5.000 . 5.000 4.459 3.141 5.001 0.001 16 0 "[ . 1 . 2]" 1
128 1 4 SER HA 1 18 ILE H 5.000 . 5.000 3.192 3.091 3.270 . 0 0 "[ . 1 . 2]" 1
129 1 4 SER QB 1 18 ILE H 5.600 . 5.600 3.067 2.636 4.001 . 0 0 "[ . 1 . 2]" 1
130 1 17 ALA HA 1 18 ILE H 2.800 . 2.800 2.150 2.131 2.173 . 0 0 "[ . 1 . 2]" 1
131 1 17 ALA MB 1 18 ILE H 4.080 . 4.080 3.045 2.969 3.157 . 0 0 "[ . 1 . 2]" 1
132 1 18 ILE H 1 18 ILE HB 3.400 . 3.400 2.539 2.463 2.596 . 0 0 "[ . 1 . 2]" 1
133 1 18 ILE H 1 18 ILE QG 3.808 . 3.808 2.954 2.875 3.170 . 0 0 "[ . 1 . 2]" 1
134 1 18 ILE H 1 100 ILE MD 6.000 . 6.000 4.616 4.338 4.853 . 0 0 "[ . 1 . 2]" 1
135 1 19 ASN HD21 1 22 VAL MG2 4.080 . 4.080 3.132 2.841 3.398 . 0 0 "[ . 1 . 2]" 1
136 1 19 ASN HD22 1 21 ASP H 5.000 . 5.000 3.688 3.110 4.552 . 0 0 "[ . 1 . 2]" 1
137 1 19 ASN HD22 1 22 VAL MG2 6.000 . 6.000 4.320 3.781 4.935 . 0 0 "[ . 1 . 2]" 1
138 1 18 ILE HA 1 19 ASN H 2.800 . 2.800 2.140 2.134 2.150 . 0 0 "[ . 1 . 2]" 1
139 1 18 ILE HB 1 19 ASN H 5.000 . 5.000 4.202 4.096 4.286 . 0 0 "[ . 1 . 2]" 1
140 1 18 ILE QG 1 19 ASN H 5.600 . 5.600 4.208 4.078 4.331 . 0 0 "[ . 1 . 2]" 1
141 1 18 ILE MG 1 19 ASN H 4.080 . 4.080 2.638 2.439 2.829 . 0 0 "[ . 1 . 2]" 1
142 1 18 ILE H 1 19 ASN H 5.000 . 5.000 4.471 4.399 4.528 . 0 0 "[ . 1 . 2]" 1
143 1 19 ASN H 1 19 ASN QB 3.808 . 3.808 2.257 2.177 2.323 . 0 0 "[ . 1 . 2]" 1
144 1 19 ASN H 1 20 GLU H 5.000 . 5.000 4.144 4.062 4.268 . 0 0 "[ . 1 . 2]" 1
145 1 19 ASN H 1 26 GLU H 5.000 . 5.000 3.380 3.235 3.592 . 0 0 "[ . 1 . 2]" 1
146 1 19 ASN H 1 27 LEU QB 5.600 . 5.600 4.632 4.516 4.760 . 0 0 "[ . 1 . 2]" 1
147 1 3 HIS HD2 1 20 GLU H 5.000 . 5.000 4.109 3.061 5.002 0.002 16 0 "[ . 1 . 2]" 1
148 1 19 ASN HA 1 20 GLU H 2.800 . 2.800 2.213 2.167 2.229 . 0 0 "[ . 1 . 2]" 1
149 1 19 ASN QB 1 20 GLU H 5.600 . 5.600 3.937 3.855 3.991 . 0 0 "[ . 1 . 2]" 1
150 1 20 GLU H 1 20 GLU QB 3.808 . 3.808 2.388 2.233 2.970 . 0 0 "[ . 1 . 2]" 1
151 1 20 GLU H 1 21 ASP HA 5.000 . 5.000 4.868 4.847 4.886 . 0 0 "[ . 1 . 2]" 1
152 1 19 ASN HA 1 21 ASP H 3.400 . 3.400 3.343 3.294 3.389 . 0 0 "[ . 1 . 2]" 1
153 1 20 GLU HA 1 21 ASP H 3.400 . 3.400 3.011 2.960 3.103 . 0 0 "[ . 1 . 2]" 1
154 1 20 GLU QB 1 21 ASP H 5.600 . 5.600 3.721 3.632 3.981 . 0 0 "[ . 1 . 2]" 1
155 1 20 GLU QG 1 21 ASP H 5.600 . 5.600 4.510 4.260 4.600 . 0 0 "[ . 1 . 2]" 1
156 1 20 GLU H 1 21 ASP H 3.400 . 3.400 2.738 2.654 2.775 . 0 0 "[ . 1 . 2]" 1
157 1 21 ASP H 1 21 ASP QB 3.136 . 3.136 2.355 2.242 2.560 . 0 0 "[ . 1 . 2]" 1
158 1 21 ASP H 1 22 VAL MG2 4.080 . 4.080 3.407 3.399 3.420 . 0 0 "[ . 1 . 2]" 1
159 1 19 ASN HA 1 22 VAL H 5.000 . 5.000 5.032 5.013 5.044 0.044 16 0 "[ . 1 . 2]" 1
160 1 20 GLU HA 1 22 VAL H 3.400 . 3.400 3.417 3.408 3.435 0.035 20 0 "[ . 1 . 2]" 1
161 1 20 GLU QB 1 22 VAL H 5.600 . 5.600 4.784 4.724 4.822 . 0 0 "[ . 1 . 2]" 1
162 1 21 ASP HA 1 22 VAL H 3.400 . 3.400 3.358 3.318 3.402 0.002 6 0 "[ . 1 . 2]" 1
163 1 21 ASP QB 1 22 VAL H 3.808 . 3.808 3.228 3.089 3.348 . 0 0 "[ . 1 . 2]" 1
164 1 22 VAL H 1 22 VAL MG2 3.360 . 3.360 1.980 1.917 2.062 . 0 0 "[ . 1 . 2]" 1
165 1 22 VAL H 1 25 ALA HA 5.000 . 5.000 3.976 3.627 4.181 . 0 0 "[ . 1 . 2]" 1
166 1 22 VAL H 1 25 ALA MB 6.000 . 6.000 4.929 4.684 5.037 . 0 0 "[ . 1 . 2]" 1
167 1 22 VAL H 1 26 GLU H 5.000 . 5.000 4.574 4.156 4.850 . 0 0 "[ . 1 . 2]" 1
168 1 22 VAL HA 1 23 SER H 2.800 . 2.800 2.701 2.643 2.810 0.010 6 0 "[ . 1 . 2]" 1
169 1 22 VAL HB 1 23 SER H 2.800 . 2.800 1.941 1.793 2.039 0.007 6 0 "[ . 1 . 2]" 1
170 1 22 VAL MG2 1 23 SER H 3.360 . 3.360 2.813 2.808 2.819 . 0 0 "[ . 1 . 2]" 1
171 1 23 SER H 1 23 SER QB 3.808 . 3.808 2.334 2.103 2.949 . 0 0 "[ . 1 . 2]" 1
172 1 22 VAL MG2 1 25 ALA H 6.000 . 6.000 3.198 1.860 3.918 . 0 0 "[ . 1 . 2]" 1
173 1 24 PRO QD 1 25 ALA H 5.600 . 5.600 3.940 2.509 4.660 . 0 0 "[ . 1 . 2]" 1
174 1 25 ALA H 1 25 ALA MB 3.360 . 3.360 2.354 2.052 2.848 . 0 0 "[ . 1 . 2]" 1
175 1 25 ALA H 1 26 GLU H 5.000 . 5.000 4.257 3.820 4.503 . 0 0 "[ . 1 . 2]" 1
176 1 25 ALA H 1 41 VAL MG1 6.000 . 6.000 4.935 4.719 5.026 . 0 0 "[ . 1 . 2]" 1
177 1 25 ALA H 1 111 TYR QE 5.600 . 5.600 4.014 3.231 5.015 . 0 0 "[ . 1 . 2]" 1
178 1 19 ASN QB 1 26 GLU H 5.600 . 5.600 2.823 2.624 2.979 . 0 0 "[ . 1 . 2]" 1
179 1 20 GLU HA 1 26 GLU H 5.000 . 5.000 4.171 3.853 4.402 . 0 0 "[ . 1 . 2]" 1
180 1 25 ALA HA 1 26 GLU H 2.800 . 2.800 2.133 2.123 2.159 . 0 0 "[ . 1 . 2]" 1
181 1 25 ALA MB 1 26 GLU H 4.080 . 4.080 3.280 3.094 3.363 . 0 0 "[ . 1 . 2]" 1
182 1 26 GLU H 1 26 GLU QB 3.808 . 3.808 2.705 2.533 2.959 . 0 0 "[ . 1 . 2]" 1
183 1 26 GLU H 1 27 LEU H 5.000 . 5.000 4.490 4.450 4.515 . 0 0 "[ . 1 . 2]" 1
184 1 27 LEU H 1 27 LEU QB 3.808 . 3.808 2.455 2.407 2.562 . 0 0 "[ . 1 . 2]" 1
185 1 27 LEU H 1 27 LEU MD2 5.600 . 5.600 4.048 3.926 4.275 . 0 0 "[ . 1 . 2]" 1
186 1 27 LEU H 1 28 THR H 5.000 . 5.000 4.122 4.029 4.160 . 0 0 "[ . 1 . 2]" 1
187 1 27 LEU H 1 39 THR HA 5.000 . 5.000 4.459 4.143 4.752 . 0 0 "[ . 1 . 2]" 1
188 1 27 LEU H 1 39 THR MG 6.000 . 6.000 3.546 3.128 3.997 . 0 0 "[ . 1 . 2]" 1
189 1 27 LEU H 1 40 VAL MG2 6.000 . 6.000 4.653 4.424 4.907 . 0 0 "[ . 1 . 2]" 1
190 1 27 LEU H 1 41 VAL HA 5.000 . 5.000 3.290 3.101 3.441 . 0 0 "[ . 1 . 2]" 1
191 1 18 ILE HA 1 28 THR H 3.400 . 3.400 3.082 2.948 3.185 . 0 0 "[ . 1 . 2]" 1
192 1 18 ILE QG 1 28 THR H 5.600 . 5.600 4.561 4.434 4.710 . 0 0 "[ . 1 . 2]" 1
193 1 19 ASN H 1 28 THR H 3.400 . 3.400 3.406 3.366 3.418 0.018 1 0 "[ . 1 . 2]" 1
194 1 27 LEU HA 1 28 THR H 2.800 . 2.800 2.180 2.164 2.194 . 0 0 "[ . 1 . 2]" 1
195 1 28 THR H 1 28 THR HB 3.400 . 3.400 2.696 2.576 2.774 . 0 0 "[ . 1 . 2]" 1
196 1 7 ALA MB 1 29 TRP HE1 4.080 . 4.080 3.393 3.333 3.418 . 0 0 "[ . 1 . 2]" 1
197 1 8 ILE HA 1 29 TRP HE1 3.400 . 3.400 3.176 3.061 3.316 . 0 0 "[ . 1 . 2]" 1
198 1 12 VAL MG1 1 29 TRP HE1 6.000 . 6.000 4.582 4.499 4.778 . 0 0 "[ . 1 . 2]" 1
199 1 13 SER HA 1 29 TRP HE1 5.000 . 5.000 3.907 3.846 4.025 . 0 0 "[ . 1 . 2]" 1
200 1 13 SER QB 1 29 TRP HE1 5.600 . 5.600 5.025 5.016 5.036 . 0 0 "[ . 1 . 2]" 1
201 1 14 GLY QA 1 29 TRP HE1 5.600 . 5.600 2.233 2.058 2.376 . 0 0 "[ . 1 . 2]" 1
202 1 16 ILE QG 1 29 TRP HE1 5.600 . 5.600 4.016 3.917 4.080 . 0 0 "[ . 1 . 2]" 1
203 1 27 LEU MD2 1 29 TRP H 5.600 . 5.600 3.737 3.265 4.026 . 0 0 "[ . 1 . 2]" 1
204 1 28 THR HA 1 29 TRP H 2.800 . 2.800 2.131 2.123 2.139 . 0 0 "[ . 1 . 2]" 1
205 1 28 THR HB 1 29 TRP H 5.000 . 5.000 4.193 4.115 4.274 . 0 0 "[ . 1 . 2]" 1
206 1 28 THR MG 1 29 TRP H 4.080 . 4.080 2.949 2.793 3.110 . 0 0 "[ . 1 . 2]" 1
207 1 29 TRP H 1 29 TRP QB 3.808 . 3.808 2.275 2.243 2.309 . 0 0 "[ . 1 . 2]" 1
208 1 29 TRP H 1 29 TRP HD1 5.000 . 5.000 5.121 5.109 5.138 0.138 16 0 "[ . 1 . 2]" 1
209 1 29 TRP H 1 29 TRP HE3 5.000 . 5.000 4.394 4.297 4.478 . 0 0 "[ . 1 . 2]" 1
210 1 29 TRP H 1 37 VAL MG2 6.000 . 6.000 4.074 3.827 4.227 . 0 0 "[ . 1 . 2]" 1
211 1 29 TRP H 1 38 HIS H 5.000 . 5.000 3.021 2.899 3.141 . 0 0 "[ . 1 . 2]" 1
212 1 29 TRP H 1 39 THR HA 3.400 . 3.400 3.148 2.764 3.403 0.003 6 0 "[ . 1 . 2]" 1
213 1 14 GLY QA 1 30 ARG H 5.600 . 5.600 4.651 4.596 4.707 . 0 0 "[ . 1 . 2]" 1
214 1 15 ILE MG 1 30 ARG H 6.000 . 6.000 4.039 3.966 4.144 . 0 0 "[ . 1 . 2]" 1
215 1 16 ILE HA 1 30 ARG H 3.400 . 3.400 3.440 3.426 3.462 0.062 10 0 "[ . 1 . 2]" 1
216 1 29 TRP HA 1 30 ARG H 2.800 . 2.800 2.157 2.152 2.163 . 0 0 "[ . 1 . 2]" 1
217 1 29 TRP QB 1 30 ARG H 5.600 . 5.600 3.907 3.903 3.911 . 0 0 "[ . 1 . 2]" 1
218 1 29 TRP HD1 1 30 ARG H 5.000 . 5.000 3.884 3.774 3.959 . 0 0 "[ . 1 . 2]" 1
219 1 29 TRP H 1 30 ARG H 5.000 . 5.000 4.300 4.283 4.310 . 0 0 "[ . 1 . 2]" 1
220 1 30 ARG H 1 30 ARG QB 3.808 . 3.808 2.478 2.340 2.660 . 0 0 "[ . 1 . 2]" 1
221 1 30 ARG H 1 37 VAL HA 5.000 . 5.000 4.983 4.952 5.013 0.013 11 0 "[ . 1 . 2]" 1
222 1 30 ARG H 1 37 VAL MG2 6.000 . 6.000 4.212 3.940 4.474 . 0 0 "[ . 1 . 2]" 1
223 1 29 TRP HE3 1 31 SER H 5.000 . 5.000 4.632 4.427 4.768 . 0 0 "[ . 1 . 2]" 1
224 1 29 TRP HH2 1 31 SER H 5.000 . 5.000 4.975 4.850 5.010 0.010 14 0 "[ . 1 . 2]" 1
225 1 29 TRP HZ3 1 31 SER H 5.000 . 5.000 4.718 4.478 4.882 . 0 0 "[ . 1 . 2]" 1
226 1 30 ARG HA 1 31 SER H 2.800 . 2.800 2.151 2.146 2.157 . 0 0 "[ . 1 . 2]" 1
227 1 31 SER H 1 31 SER QB 3.808 . 3.808 2.407 2.101 2.691 . 0 0 "[ . 1 . 2]" 1
228 1 31 SER H 1 32 THR H 5.000 . 5.000 4.644 4.637 4.650 . 0 0 "[ . 1 . 2]" 1
229 1 31 SER H 1 36 LYS QB 5.600 . 5.600 3.919 3.421 4.766 . 0 0 "[ . 1 . 2]" 1
230 1 31 SER H 1 36 LYS H 5.000 . 5.000 3.695 3.546 3.880 . 0 0 "[ . 1 . 2]" 1
231 1 31 SER H 1 37 VAL HA 3.400 . 3.400 3.088 3.005 3.235 . 0 0 "[ . 1 . 2]" 1
232 1 31 SER H 1 37 VAL HB 5.000 . 5.000 4.514 4.342 4.775 . 0 0 "[ . 1 . 2]" 1
233 1 31 SER H 1 37 VAL MG2 6.000 . 6.000 3.156 2.954 3.553 . 0 0 "[ . 1 . 2]" 1
234 1 31 SER H 1 38 HIS H 5.000 . 5.000 4.982 4.864 5.015 0.015 7 0 "[ . 1 . 2]" 1
235 1 14 GLY QA 1 32 THR H 3.136 . 3.136 2.123 1.985 2.237 . 0 0 "[ . 1 . 2]" 1
236 1 31 SER QB 1 32 THR H 3.808 . 3.808 2.651 2.271 3.296 . 0 0 "[ . 1 . 2]" 1
237 1 32 THR H 1 32 THR MG 4.080 . 4.080 3.409 3.406 3.411 . 0 0 "[ . 1 . 2]" 1
238 1 32 THR H 1 33 ASP HA 5.000 . 5.000 5.085 5.075 5.103 0.103 4 0 "[ . 1 . 2]" 1
239 1 32 THR H 1 33 ASP H 3.400 . 3.400 2.424 2.410 2.446 . 0 0 "[ . 1 . 2]" 1
240 1 12 VAL MG2 1 33 ASP H 6.000 . 6.000 4.921 4.808 5.001 . 0 0 "[ . 1 . 2]" 1
241 1 31 SER QB 1 33 ASP H 5.600 . 5.600 3.076 2.573 3.688 . 0 0 "[ . 1 . 2]" 1
242 1 32 THR HA 1 33 ASP H 3.400 . 3.400 3.482 3.476 3.489 0.089 2 0 "[ . 1 . 2]" 1
243 1 32 THR HB 1 33 ASP H 2.800 . 2.800 2.843 2.837 2.848 0.048 4 0 "[ . 1 . 2]" 1
244 1 32 THR MG 1 33 ASP H 6.000 . 6.000 4.113 4.109 4.118 . 0 0 "[ . 1 . 2]" 1
245 1 33 ASP H 1 33 ASP QB 3.808 . 3.808 2.363 2.167 2.728 . 0 0 "[ . 1 . 2]" 1
246 1 33 ASP H 1 34 GLY QA 5.600 . 5.600 4.262 4.173 4.340 . 0 0 "[ . 1 . 2]" 1
247 1 33 ASP H 1 34 GLY H 3.400 . 3.400 2.341 2.226 2.483 . 0 0 "[ . 1 . 2]" 1
248 1 31 SER QB 1 34 GLY H 5.600 . 5.600 2.480 1.924 3.206 . 0 0 "[ . 1 . 2]" 1
249 1 32 THR HA 1 34 GLY H 5.000 . 5.000 4.622 4.395 4.799 . 0 0 "[ . 1 . 2]" 1
250 1 32 THR H 1 34 GLY H 5.000 . 5.000 3.721 3.608 3.925 . 0 0 "[ . 1 . 2]" 1
251 1 33 ASP HA 1 34 GLY H 3.400 . 3.400 3.491 3.470 3.517 0.117 6 0 "[ . 1 . 2]" 1
252 1 33 ASP QB 1 34 GLY H 5.600 . 5.600 2.730 2.474 3.490 . 0 0 "[ . 1 . 2]" 1
253 1 31 SER H 1 35 ASP H 5.000 . 5.000 4.908 4.703 5.005 0.005 6 0 "[ . 1 . 2]" 1
254 1 33 ASP HA 1 35 ASP H 5.000 . 5.000 4.948 4.844 5.005 0.005 18 0 "[ . 1 . 2]" 1
255 1 34 GLY QA 1 35 ASP H 3.808 . 3.808 2.847 2.826 2.889 . 0 0 "[ . 1 . 2]" 1
256 1 34 GLY H 1 35 ASP H 3.400 . 3.400 2.057 2.000 2.151 . 0 0 "[ . 1 . 2]" 1
257 1 35 ASP H 1 35 ASP QB 3.136 . 3.136 2.404 2.181 2.799 . 0 0 "[ . 1 . 2]" 1
258 1 35 ASP H 1 36 LYS QB 5.600 . 5.600 4.462 4.268 4.836 . 0 0 "[ . 1 . 2]" 1
259 1 35 ASP H 1 36 LYS H 2.800 . 2.800 2.172 2.006 2.432 . 0 0 "[ . 1 . 2]" 1
260 1 29 TRP HZ3 1 36 LYS H 5.000 . 5.000 5.020 5.008 5.032 0.032 16 0 "[ . 1 . 2]" 1
261 1 31 SER QB 1 36 LYS H 3.808 . 3.808 2.161 1.867 2.881 . 0 0 "[ . 1 . 2]" 1
262 1 34 GLY QA 1 36 LYS H 5.600 . 5.600 3.507 3.305 3.637 . 0 0 "[ . 1 . 2]" 1
263 1 34 GLY H 1 36 LYS H 3.400 . 3.400 3.447 3.437 3.472 0.072 4 0 "[ . 1 . 2]" 1
264 1 35 ASP HA 1 36 LYS H 3.400 . 3.400 3.421 3.416 3.424 0.024 17 0 "[ . 1 . 2]" 1
265 1 35 ASP QB 1 36 LYS H 5.600 . 5.600 3.143 3.045 3.690 . 0 0 "[ . 1 . 2]" 1
266 1 36 LYS H 1 36 LYS QB 3.808 . 3.808 2.745 2.635 3.200 . 0 0 "[ . 1 . 2]" 1
267 1 36 LYS H 1 36 LYS QG 3.808 . 3.808 2.915 2.000 3.272 . 0 0 "[ . 1 . 2]" 1
268 1 29 TRP HZ3 1 37 VAL H 5.000 . 5.000 3.164 2.895 3.724 . 0 0 "[ . 1 . 2]" 1
269 1 36 LYS HA 1 37 VAL H 2.800 . 2.800 2.206 2.181 2.239 . 0 0 "[ . 1 . 2]" 1
270 1 36 LYS QB 1 37 VAL H 3.808 . 3.808 2.876 2.776 2.942 . 0 0 "[ . 1 . 2]" 1
271 1 36 LYS H 1 37 VAL H 5.000 . 5.000 4.397 4.362 4.457 . 0 0 "[ . 1 . 2]" 1
272 1 37 VAL H 1 38 HIS H 5.000 . 5.000 4.388 4.214 4.409 . 0 0 "[ . 1 . 2]" 1
273 1 28 THR MG 1 38 HIS H 6.000 . 6.000 3.522 3.250 4.150 . 0 0 "[ . 1 . 2]" 1
274 1 29 TRP QB 1 38 HIS H 5.600 . 5.600 2.830 2.424 2.980 . 0 0 "[ . 1 . 2]" 1
275 1 29 TRP HE3 1 38 HIS H 3.400 . 3.400 2.716 2.057 3.043 . 0 0 "[ . 1 . 2]" 1
276 1 29 TRP HZ3 1 38 HIS H 5.000 . 5.000 4.653 4.087 5.007 0.007 11 0 "[ . 1 . 2]" 1
277 1 30 ARG HA 1 38 HIS H 5.000 . 5.000 3.913 3.860 3.980 . 0 0 "[ . 1 . 2]" 1
278 1 37 VAL HA 1 38 HIS H 2.800 . 2.800 2.314 2.167 2.349 . 0 0 "[ . 1 . 2]" 1
279 1 37 VAL HB 1 38 HIS H 5.000 . 5.000 4.159 4.102 4.457 . 0 0 "[ . 1 . 2]" 1
280 1 37 VAL MG2 1 38 HIS H 4.080 . 4.080 2.320 2.187 2.853 . 0 0 "[ . 1 . 2]" 1
281 1 38 HIS H 1 39 THR H 5.000 . 5.000 4.255 3.953 4.360 . 0 0 "[ . 1 . 2]" 1
282 1 38 HIS HA 1 39 THR H 2.800 . 2.800 2.240 2.144 2.270 . 0 0 "[ . 1 . 2]" 1
283 1 38 HIS QB 1 39 THR H 5.600 . 5.600 3.498 3.377 3.860 . 0 0 "[ . 1 . 2]" 1
284 1 39 THR H 1 39 THR HB 3.400 . 3.400 2.899 2.593 3.060 . 0 0 "[ . 1 . 2]" 1
285 1 39 THR H 1 40 VAL H 5.000 . 5.000 4.361 3.996 4.544 . 0 0 "[ . 1 . 2]" 1
286 1 27 LEU QB 1 40 VAL H 5.600 . 5.600 3.138 2.781 3.405 . 0 0 "[ . 1 . 2]" 1
287 1 27 LEU MD2 1 40 VAL H 5.600 . 5.600 3.510 2.983 4.074 . 0 0 "[ . 1 . 2]" 1
288 1 27 LEU H 1 40 VAL H 5.000 . 5.000 2.652 2.449 3.042 . 0 0 "[ . 1 . 2]" 1
289 1 40 VAL H 1 40 VAL HB 3.400 . 3.400 2.546 2.319 2.656 . 0 0 "[ . 1 . 2]" 1
290 1 40 VAL H 1 40 VAL MG2 4.080 . 4.080 3.283 2.986 3.405 . 0 0 "[ . 1 . 2]" 1
291 1 40 VAL H 1 41 VAL H 5.000 . 5.000 4.332 4.194 4.486 . 0 0 "[ . 1 . 2]" 1
292 1 40 VAL HA 1 41 VAL H 2.800 . 2.800 2.154 2.125 2.178 . 0 0 "[ . 1 . 2]" 1
293 1 40 VAL HB 1 41 VAL H 5.000 . 5.000 4.276 4.220 4.359 . 0 0 "[ . 1 . 2]" 1
294 1 40 VAL MG1 1 41 VAL H 4.080 . 4.080 2.491 2.394 2.701 . 0 0 "[ . 1 . 2]" 1
295 1 40 VAL MG2 1 41 VAL H 4.080 . 4.080 3.508 3.496 3.529 . 0 0 "[ . 1 . 2]" 1
296 1 41 VAL H 1 41 VAL HB 2.800 . 2.800 2.547 2.518 2.587 . 0 0 "[ . 1 . 2]" 1
297 1 41 VAL H 1 41 VAL MG2 3.360 . 3.360 2.736 2.662 2.779 . 0 0 "[ . 1 . 2]" 1
298 1 41 VAL H 1 44 THR MG 6.000 . 6.000 3.787 3.617 3.922 . 0 0 "[ . 1 . 2]" 1
299 1 26 GLU HA 1 42 LEU H 3.400 . 3.400 2.292 2.171 2.445 . 0 0 "[ . 1 . 2]" 1
300 1 41 VAL HA 1 42 LEU H 2.800 . 2.800 2.120 2.107 2.138 . 0 0 "[ . 1 . 2]" 1
301 1 41 VAL HB 1 42 LEU H 5.000 . 5.000 4.431 4.344 4.465 . 0 0 "[ . 1 . 2]" 1
302 1 41 VAL MG1 1 42 LEU H 4.080 . 4.080 3.040 2.728 3.249 . 0 0 "[ . 1 . 2]" 1
303 1 42 LEU H 1 42 LEU QB 3.808 . 3.808 2.330 2.294 2.391 . 0 0 "[ . 1 . 2]" 1
304 1 24 PRO QB 1 43 SER H 5.600 . 5.600 3.329 2.969 3.585 . 0 0 "[ . 1 . 2]" 1
305 1 41 VAL HB 1 43 SER H 5.000 . 5.000 4.041 3.875 4.139 . 0 0 "[ . 1 . 2]" 1
306 1 41 VAL MG1 1 43 SER H 3.360 . 3.360 1.907 1.859 1.939 . 0 0 "[ . 1 . 2]" 1
307 1 42 LEU QB 1 43 SER H 5.600 . 5.600 2.946 2.899 2.998 . 0 0 "[ . 1 . 2]" 1
308 1 42 LEU MD1 1 43 SER H 6.000 . 6.000 4.694 4.621 4.747 . 0 0 "[ . 1 . 2]" 1
309 1 43 SER H 1 43 SER QB 3.808 . 3.808 2.243 2.055 2.616 . 0 0 "[ . 1 . 2]" 1
310 1 43 SER H 1 44 THR MG 6.000 . 6.000 3.660 3.568 3.775 . 0 0 "[ . 1 . 2]" 1
311 1 43 SER H 1 45 ILE H 5.000 . 5.000 3.886 3.847 3.930 . 0 0 "[ . 1 . 2]" 1
312 1 43 SER H 1 111 TYR QE 5.600 . 5.600 3.729 3.541 3.951 . 0 0 "[ . 1 . 2]" 1
313 1 41 VAL HB 1 44 THR H 5.000 . 5.000 3.284 3.086 3.402 . 0 0 "[ . 1 . 2]" 1
314 1 41 VAL MG1 1 44 THR H 4.080 . 4.080 2.235 2.033 2.538 . 0 0 "[ . 1 . 2]" 1
315 1 42 LEU H 1 44 THR H 5.000 . 5.000 4.358 4.290 4.501 . 0 0 "[ . 1 . 2]" 1
316 1 43 SER HA 1 44 THR H 3.400 . 3.400 3.465 3.452 3.491 0.091 6 0 "[ . 1 . 2]" 1
317 1 43 SER QB 1 44 THR H 5.600 . 5.600 2.933 2.691 3.517 . 0 0 "[ . 1 . 2]" 1
318 1 43 SER H 1 44 THR H 3.400 . 3.400 2.594 2.548 2.668 . 0 0 "[ . 1 . 2]" 1
319 1 44 THR H 1 44 THR MG 3.360 . 3.360 1.994 1.912 2.169 . 0 0 "[ . 1 . 2]" 1
320 1 44 THR H 1 45 ILE HB 5.000 . 5.000 4.368 4.280 4.618 . 0 0 "[ . 1 . 2]" 1
321 1 44 THR H 1 45 ILE MD 6.000 . 6.000 4.380 4.138 4.762 . 0 0 "[ . 1 . 2]" 1
322 1 44 THR H 1 45 ILE QG 5.600 . 5.600 3.538 3.363 3.631 . 0 0 "[ . 1 . 2]" 1
323 1 44 THR H 1 45 ILE H 3.400 . 3.400 2.150 2.078 2.313 . 0 0 "[ . 1 . 2]" 1
324 1 40 VAL MG1 1 45 ILE H 6.000 . 6.000 4.126 4.003 4.524 . 0 0 "[ . 1 . 2]" 1
325 1 42 LEU MD1 1 45 ILE H 6.000 . 6.000 4.324 4.140 4.438 . 0 0 "[ . 1 . 2]" 1
326 1 44 THR HA 1 45 ILE H 3.400 . 3.400 3.462 3.457 3.472 0.072 18 0 "[ . 1 . 2]" 1
327 1 44 THR HB 1 45 ILE H 5.000 . 5.000 4.053 3.971 4.090 . 0 0 "[ . 1 . 2]" 1
328 1 44 THR MG 1 45 ILE H 4.080 . 4.080 3.433 3.422 3.447 . 0 0 "[ . 1 . 2]" 1
329 1 45 ILE H 1 45 ILE HB 2.800 . 2.800 2.588 2.544 2.696 . 0 0 "[ . 1 . 2]" 1
330 1 45 ILE H 1 45 ILE MD 4.080 . 4.080 2.934 2.788 3.280 . 0 0 "[ . 1 . 2]" 1
331 1 45 ILE H 1 45 ILE QG 3.808 . 3.808 2.098 1.911 2.178 . 0 0 "[ . 1 . 2]" 1
332 1 45 ILE H 1 46 ASP H 5.000 . 5.000 4.320 4.247 4.385 . 0 0 "[ . 1 . 2]" 1
333 1 45 ILE HA 1 46 ASP H 3.400 . 3.400 2.162 2.136 2.197 . 0 0 "[ . 1 . 2]" 1
334 1 45 ILE MD 1 46 ASP H 6.000 . 6.000 3.643 3.515 3.973 . 0 0 "[ . 1 . 2]" 1
335 1 45 ILE MG 1 46 ASP H 4.080 . 4.080 3.176 3.031 3.335 . 0 0 "[ . 1 . 2]" 1
336 1 46 ASP H 1 46 ASP QB 3.808 . 3.808 2.141 2.066 2.264 . 0 0 "[ . 1 . 2]" 1
337 1 46 ASP H 1 47 LYS H 3.400 . 3.400 2.698 2.484 2.820 . 0 0 "[ . 1 . 2]" 1
338 1 46 ASP H 1 64 GLY QA 5.600 . 5.600 2.421 2.106 2.983 . 0 0 "[ . 1 . 2]" 1
339 1 45 ILE HA 1 47 LYS H 5.000 . 5.000 3.676 3.462 4.018 . 0 0 "[ . 1 . 2]" 1
340 1 45 ILE MG 1 47 LYS H 4.080 . 4.080 2.362 2.014 2.682 . 0 0 "[ . 1 . 2]" 1
341 1 46 ASP QB 1 47 LYS H 3.808 . 3.808 2.708 2.390 2.940 . 0 0 "[ . 1 . 2]" 1
342 1 47 LYS H 1 47 LYS QB 3.808 . 3.808 3.210 2.726 3.419 . 0 0 "[ . 1 . 2]" 1
343 1 47 LYS H 1 62 LEU HA 5.000 . 5.000 5.033 4.873 5.081 0.081 8 0 "[ . 1 . 2]" 1
344 1 47 LYS H 1 63 ILE HB 3.400 . 3.400 2.084 1.961 2.624 . 0 0 "[ . 1 . 2]" 1
345 1 47 LYS H 1 108 ILE MD 6.000 . 6.000 4.620 3.775 5.001 . 0 0 "[ . 1 . 2]" 1
346 1 47 LYS HA 1 48 LEU H 2.800 . 2.800 2.400 2.234 2.582 . 0 0 "[ . 1 . 2]" 1
347 1 47 LYS QB 1 48 LEU H 3.808 . 3.808 2.448 1.997 3.349 . 0 0 "[ . 1 . 2]" 1
348 1 47 LYS QG 1 48 LEU H 5.600 . 5.600 3.908 1.998 4.331 . 0 0 "[ . 1 . 2]" 1
349 1 48 LEU H 1 48 LEU QB 3.808 . 3.808 2.449 2.275 3.079 . 0 0 "[ . 1 . 2]" 1
350 1 48 LEU H 1 48 LEU HG 5.000 . 5.000 4.289 2.113 4.551 . 0 0 "[ . 1 . 2]" 1
351 1 48 LEU H 1 108 ILE MD 6.000 . 6.000 3.568 2.869 4.823 . 0 0 "[ . 1 . 2]" 1
352 1 49 GLN HE22 1 63 ILE MD 6.000 . 6.000 3.398 1.883 4.989 . 0 0 "[ . 1 . 2]" 1
353 1 48 LEU HA 1 49 GLN H 2.800 . 2.800 2.367 2.298 2.423 . 0 0 "[ . 1 . 2]" 1
354 1 48 LEU QB 1 49 GLN H 3.808 . 3.808 3.039 2.463 3.449 . 0 0 "[ . 1 . 2]" 1
355 1 48 LEU HG 1 49 GLN H 5.000 . 5.000 2.733 1.932 5.001 0.001 10 0 "[ . 1 . 2]" 1
356 1 49 GLN H 1 49 GLN QB 3.808 . 3.808 2.665 2.502 2.918 . 0 0 "[ . 1 . 2]" 1
357 1 49 GLN H 1 61 ARG HA 5.000 . 5.000 4.912 4.481 5.018 0.018 11 0 "[ . 1 . 2]" 1
358 1 49 GLN H 1 61 ARG QB 5.600 . 5.600 3.938 3.290 4.378 . 0 0 "[ . 1 . 2]" 1
359 1 49 GLN H 1 62 LEU HA 5.000 . 5.000 3.564 3.158 3.803 . 0 0 "[ . 1 . 2]" 1
360 1 49 GLN H 1 62 LEU MD1 4.080 . 4.080 3.342 2.986 3.443 . 0 0 "[ . 1 . 2]" 1
361 1 49 GLN HA 1 50 ALA H 2.800 . 2.800 2.213 2.155 2.451 . 0 0 "[ . 1 . 2]" 1
362 1 49 GLN QB 1 50 ALA H 3.808 . 3.808 3.057 2.291 3.398 . 0 0 "[ . 1 . 2]" 1
363 1 49 GLN QG 1 50 ALA H 5.600 . 5.600 3.531 2.499 4.383 . 0 0 "[ . 1 . 2]" 1
364 1 50 ALA H 1 51 THR H 5.000 . 5.000 4.229 4.122 4.413 . 0 0 "[ . 1 . 2]" 1
365 1 51 THR H 1 52 PRO QD 5.600 . 5.600 4.016 3.916 4.302 . 0 0 "[ . 1 . 2]" 1
366 1 51 THR H 1 59 MET QB 5.600 . 5.600 4.594 3.926 4.991 . 0 0 "[ . 1 . 2]" 1
367 1 51 THR H 1 60 LEU HA 3.400 . 3.400 3.389 3.218 3.426 0.026 4 0 "[ . 1 . 2]" 1
368 1 51 THR H 1 60 LEU MD1 6.000 . 6.000 2.717 1.967 4.101 . 0 0 "[ . 1 . 2]" 1
369 1 52 PRO HA 1 53 ALA H 2.800 . 2.800 2.355 2.352 2.361 . 0 0 "[ . 1 . 2]" 1
370 1 52 PRO QB 1 53 ALA H 5.600 . 5.600 2.697 2.675 2.702 . 0 0 "[ . 1 . 2]" 1
371 1 53 ALA H 1 53 ALA MB 3.360 . 3.360 2.143 2.076 2.232 . 0 0 "[ . 1 . 2]" 1
372 1 52 PRO HA 1 54 SER H 5.000 . 5.000 3.942 3.847 4.007 . 0 0 "[ . 1 . 2]" 1
373 1 52 PRO QB 1 54 SER H 5.600 . 5.600 2.127 2.020 2.210 . 0 0 "[ . 1 . 2]" 1
374 1 52 PRO QG 1 54 SER H 3.808 . 3.808 3.428 3.420 3.479 . 0 0 "[ . 1 . 2]" 1
375 1 53 ALA MB 1 54 SER H 4.080 . 4.080 3.067 2.941 3.256 . 0 0 "[ . 1 . 2]" 1
376 1 54 SER H 1 54 SER QB 3.808 . 3.808 2.457 2.149 2.875 . 0 0 "[ . 1 . 2]" 1
377 1 52 PRO QB 1 55 SER H 5.600 . 5.600 3.464 3.208 3.609 . 0 0 "[ . 1 . 2]" 1
378 1 52 PRO QG 1 55 SER H 3.808 . 3.808 3.255 2.903 3.399 . 0 0 "[ . 1 . 2]" 1
379 1 53 ALA MB 1 55 SER H 6.000 . 6.000 4.484 4.435 4.650 . 0 0 "[ . 1 . 2]" 1
380 1 54 SER HA 1 55 SER H 3.400 . 3.400 3.430 3.420 3.433 0.033 6 0 "[ . 1 . 2]" 1
381 1 55 SER H 1 55 SER QB 3.136 . 3.136 2.341 2.192 2.851 . 0 0 "[ . 1 . 2]" 1
382 1 55 SER H 1 56 GLU H 5.000 . 5.000 4.424 4.180 4.562 . 0 0 "[ . 1 . 2]" 1
383 1 55 SER HA 1 56 GLU H 2.800 . 2.800 2.153 2.140 2.190 . 0 0 "[ . 1 . 2]" 1
384 1 55 SER QB 1 56 GLU H 5.600 . 5.600 3.542 3.140 3.904 . 0 0 "[ . 1 . 2]" 1
385 1 56 GLU H 1 56 GLU QB 3.808 . 3.808 2.244 2.061 2.638 . 0 0 "[ . 1 . 2]" 1
386 1 55 SER HA 1 57 LYS H 5.000 . 5.000 3.632 3.400 3.849 . 0 0 "[ . 1 . 2]" 1
387 1 55 SER QB 1 57 LYS H 5.600 . 5.600 3.078 2.568 3.730 . 0 0 "[ . 1 . 2]" 1
388 1 56 GLU HA 1 57 LYS H 3.400 . 3.400 3.441 3.418 3.468 0.068 15 0 "[ . 1 . 2]" 1
389 1 56 GLU QB 1 57 LYS H 5.600 . 5.600 2.974 2.827 3.116 . 0 0 "[ . 1 . 2]" 1
390 1 56 GLU QG 1 57 LYS H 5.600 . 5.600 4.339 3.905 4.647 . 0 0 "[ . 1 . 2]" 1
391 1 56 GLU H 1 57 LYS H 2.800 . 2.800 2.594 2.289 2.690 . 0 0 "[ . 1 . 2]" 1
392 1 57 LYS H 1 57 LYS QB 3.136 . 3.136 2.554 2.233 2.943 . 0 0 "[ . 1 . 2]" 1
393 1 57 LYS H 1 57 LYS QD 3.136 . 3.136 2.648 1.949 2.885 . 0 0 "[ . 1 . 2]" 1
394 1 57 LYS H 1 57 LYS QG 3.808 . 3.808 2.663 1.719 3.481 0.081 5 0 "[ . 1 . 2]" 1
395 1 57 LYS HA 1 58 MET H 2.800 . 2.800 2.179 2.139 2.447 . 0 0 "[ . 1 . 2]" 1
396 1 57 LYS QB 1 58 MET H 3.808 . 3.808 3.218 2.339 3.409 . 0 0 "[ . 1 . 2]" 1
397 1 58 MET H 1 58 MET QG 3.808 . 3.808 2.728 2.277 3.433 . 0 0 "[ . 1 . 2]" 1
398 1 51 THR MG 1 59 MET H 4.080 . 4.080 2.182 1.861 3.067 . 0 0 "[ . 1 . 2]" 1
399 1 59 MET H 1 59 MET QB 3.808 . 3.808 2.970 2.747 3.358 . 0 0 "[ . 1 . 2]" 1
400 1 59 MET H 1 90 SER HA 5.000 . 5.000 4.887 4.689 5.007 0.007 6 0 "[ . 1 . 2]" 1
401 1 59 MET HA 1 60 LEU H 2.800 . 2.800 2.200 2.190 2.206 . 0 0 "[ . 1 . 2]" 1
402 1 59 MET QB 1 60 LEU H 3.808 . 3.808 2.957 2.934 3.112 . 0 0 "[ . 1 . 2]" 1
403 1 59 MET QG 1 60 LEU H 5.600 . 5.600 4.204 3.390 4.569 . 0 0 "[ . 1 . 2]" 1
404 1 59 MET H 1 60 LEU H 5.000 . 5.000 4.258 4.218 4.298 . 0 0 "[ . 1 . 2]" 1
405 1 60 LEU H 1 60 LEU MD2 5.600 . 5.600 4.318 3.619 4.602 . 0 0 "[ . 1 . 2]" 1
406 1 60 LEU H 1 61 ARG H 5.000 . 5.000 4.473 4.410 4.540 . 0 0 "[ . 1 . 2]" 1
407 1 60 LEU H 1 90 SER HA 3.400 . 3.400 3.036 2.675 3.402 0.002 3 0 "[ . 1 . 2]" 1
408 1 60 LEU H 1 91 PHE QD 5.600 . 5.600 2.640 2.347 2.818 . 0 0 "[ . 1 . 2]" 1
409 1 60 LEU H 1 91 PHE QE 3.808 . 3.808 3.406 3.378 3.418 . 0 0 "[ . 1 . 2]" 1
410 1 60 LEU H 1 91 PHE H 3.400 . 3.400 3.429 3.416 3.443 0.043 12 0 "[ . 1 . 2]" 1
411 1 49 GLN HA 1 61 ARG H 5.000 . 5.000 4.195 4.031 4.788 . 0 0 "[ . 1 . 2]" 1
412 1 50 ALA HA 1 61 ARG H 5.000 . 5.000 3.581 2.978 3.842 . 0 0 "[ . 1 . 2]" 1
413 1 50 ALA MB 1 61 ARG H 6.000 . 6.000 4.417 3.752 4.642 . 0 0 "[ . 1 . 2]" 1
414 1 60 LEU HA 1 61 ARG H 2.800 . 2.800 2.257 2.198 2.442 . 0 0 "[ . 1 . 2]" 1
415 1 60 LEU QB 1 61 ARG H 5.600 . 5.600 2.923 2.407 3.410 . 0 0 "[ . 1 . 2]" 1
416 1 61 ARG H 1 61 ARG QB 3.808 . 3.808 2.577 2.345 3.073 . 0 0 "[ . 1 . 2]" 1
417 1 61 ARG H 1 61 ARG QG 3.808 . 3.808 3.098 2.307 3.413 . 0 0 "[ . 1 . 2]" 1
418 1 61 ARG HA 1 62 LEU H 3.400 . 3.400 2.281 2.200 2.317 . 0 0 "[ . 1 . 2]" 1
419 1 61 ARG QG 1 62 LEU H 5.600 . 5.600 3.823 3.286 4.421 . 0 0 "[ . 1 . 2]" 1
420 1 62 LEU H 1 87 HIS HD2 5.000 . 5.000 4.698 4.051 5.001 0.001 12 0 "[ . 1 . 2]" 1
421 1 62 LEU H 1 88 MET HA 5.000 . 5.000 3.900 3.393 4.476 . 0 0 "[ . 1 . 2]" 1
422 1 45 ILE MG 1 63 ILE H 4.080 . 4.080 2.812 2.560 3.002 . 0 0 "[ . 1 . 2]" 1
423 1 48 LEU HA 1 63 ILE H 3.400 . 3.400 3.186 2.634 3.404 0.004 13 0 "[ . 1 . 2]" 1
424 1 62 LEU HA 1 63 ILE H 2.800 . 2.800 2.151 2.136 2.169 . 0 0 "[ . 1 . 2]" 1
425 1 63 ILE H 1 63 ILE MD 4.080 . 4.080 3.408 3.388 3.424 . 0 0 "[ . 1 . 2]" 1
426 1 63 ILE H 1 63 ILE QG 3.808 . 3.808 2.399 2.253 2.589 . 0 0 "[ . 1 . 2]" 1
427 1 45 ILE HA 1 64 GLY H 5.000 . 5.000 4.430 4.344 4.571 . 0 0 "[ . 1 . 2]" 1
428 1 63 ILE HA 1 64 GLY H 2.800 . 2.800 2.206 2.133 2.355 . 0 0 "[ . 1 . 2]" 1
429 1 63 ILE HB 1 64 GLY H 5.000 . 5.000 4.051 3.657 4.324 . 0 0 "[ . 1 . 2]" 1
430 1 63 ILE MD 1 64 GLY H 4.080 . 4.080 3.415 3.403 3.432 . 0 0 "[ . 1 . 2]" 1
431 1 63 ILE MG 1 64 GLY H 4.080 . 4.080 2.398 1.904 2.775 . 0 0 "[ . 1 . 2]" 1
432 1 64 GLY H 1 65 LYS H 5.000 . 5.000 4.537 4.350 4.622 . 0 0 "[ . 1 . 2]" 1
433 1 64 GLY H 1 84 PRO QB 5.600 . 5.600 2.709 2.103 3.295 . 0 0 "[ . 1 . 2]" 1
434 1 64 GLY H 1 86 ARG HA 5.000 . 5.000 3.259 2.496 4.294 . 0 0 "[ . 1 . 2]" 1
435 1 64 GLY H 1 86 ARG QG 5.600 . 5.600 4.382 3.492 4.996 . 0 0 "[ . 1 . 2]" 1
436 1 44 THR HA 1 65 LYS H 5.000 . 5.000 3.897 3.636 4.212 . 0 0 "[ . 1 . 2]" 1
437 1 44 THR HB 1 65 LYS H 2.800 . 2.800 2.828 2.811 2.842 0.042 18 0 "[ . 1 . 2]" 1
438 1 64 GLY QA 1 65 LYS H 3.808 . 3.808 2.265 2.213 2.294 . 0 0 "[ . 1 . 2]" 1
439 1 65 LYS H 1 65 LYS QB 3.808 . 3.808 2.117 2.059 2.371 . 0 0 "[ . 1 . 2]" 1
440 1 65 LYS H 1 65 LYS QD 3.808 . 3.808 3.348 3.139 3.424 . 0 0 "[ . 1 . 2]" 1
441 1 46 ASP QB 1 66 VAL H 5.600 . 5.600 4.230 3.642 4.898 . 0 0 "[ . 1 . 2]" 1
442 1 65 LYS HA 1 66 VAL H 2.800 . 2.800 2.212 2.157 2.274 . 0 0 "[ . 1 . 2]" 1
443 1 65 LYS QB 1 66 VAL H 3.808 . 3.808 3.385 3.265 3.413 . 0 0 "[ . 1 . 2]" 1
444 1 65 LYS QD 1 66 VAL H 3.808 . 3.808 3.312 2.952 3.422 . 0 0 "[ . 1 . 2]" 1
445 1 65 LYS QG 1 66 VAL H 3.808 . 3.808 2.786 2.428 3.298 . 0 0 "[ . 1 . 2]" 1
446 1 65 LYS H 1 66 VAL H 5.000 . 5.000 4.595 4.395 4.645 . 0 0 "[ . 1 . 2]" 1
447 1 66 VAL H 1 66 VAL HB 2.800 . 2.800 2.713 2.096 2.864 0.064 6 0 "[ . 1 . 2]" 1
448 1 66 VAL HB 1 67 ASP H 3.400 . 3.400 3.306 3.245 3.571 0.171 3 0 "[ . 1 . 2]" 1
449 1 66 VAL H 1 67 ASP H 3.400 . 3.400 3.334 2.015 3.643 0.243 7 0 "[ . 1 . 2]" 1
450 1 67 ASP H 1 67 ASP QB 3.808 . 3.808 3.037 2.618 3.382 . 0 0 "[ . 1 . 2]" 1
451 1 67 ASP H 1 68 GLU H 5.000 . 5.000 3.972 2.889 4.605 . 0 0 "[ . 1 . 2]" 1
452 1 67 ASP HA 1 68 GLU H 2.800 . 2.800 2.332 2.139 2.892 0.092 13 0 "[ . 1 . 2]" 1
453 1 67 ASP QB 1 68 GLU H 5.600 . 5.600 3.194 1.976 4.033 . 0 0 "[ . 1 . 2]" 1
454 1 68 GLU H 1 68 GLU QB 3.808 . 3.808 2.605 2.295 3.383 . 0 0 "[ . 1 . 2]" 1
455 1 68 GLU H 1 68 GLU QG 3.808 . 3.808 2.732 2.009 3.381 . 0 0 "[ . 1 . 2]" 1
456 1 68 GLU H 1 70 LYS H 5.000 . 5.000 4.576 3.384 5.003 0.003 8 0 "[ . 1 . 2]" 1
457 1 67 ASP QB 1 69 SER H 5.600 . 5.600 2.956 2.079 4.043 . 0 0 "[ . 1 . 2]" 1
458 1 68 GLU HA 1 69 SER H 3.400 . 3.400 3.034 2.771 3.430 0.030 17 0 "[ . 1 . 2]" 1
459 1 68 GLU QB 1 69 SER H 5.600 . 5.600 3.639 2.993 4.043 . 0 0 "[ . 1 . 2]" 1
460 1 68 GLU H 1 69 SER H 2.800 . 2.800 2.567 1.990 2.876 0.076 13 0 "[ . 1 . 2]" 1
461 1 69 SER H 1 69 SER QB 3.136 . 3.136 2.563 2.295 2.794 . 0 0 "[ . 1 . 2]" 1
462 1 67 ASP QB 1 70 LYS H 5.600 . 5.600 4.027 2.305 5.075 . 0 0 "[ . 1 . 2]" 1
463 1 68 GLU HA 1 70 LYS H 5.000 . 5.000 3.634 3.322 4.278 . 0 0 "[ . 1 . 2]" 1
464 1 69 SER HA 1 70 LYS H 3.400 . 3.400 3.115 2.751 3.431 0.031 11 0 "[ . 1 . 2]" 1
465 1 69 SER QB 1 70 LYS H 5.600 . 5.600 3.623 3.011 4.066 . 0 0 "[ . 1 . 2]" 1
466 1 70 LYS H 1 70 LYS QB 3.808 . 3.808 2.627 2.110 3.400 . 0 0 "[ . 1 . 2]" 1
467 1 70 LYS H 1 70 LYS QD 5.600 . 5.600 4.307 3.843 4.741 . 0 0 "[ . 1 . 2]" 1
468 1 70 LYS H 1 70 LYS QG 3.808 . 3.808 3.149 2.389 3.408 . 0 0 "[ . 1 . 2]" 1
469 1 68 GLU HA 1 71 LYS H 5.000 . 5.000 4.480 3.232 5.022 0.022 13 0 "[ . 1 . 2]" 1
470 1 71 LYS H 1 71 LYS QG 3.808 . 3.808 2.882 2.061 3.401 . 0 0 "[ . 1 . 2]" 1
471 1 71 LYS H 1 72 ARG H 5.000 . 5.000 4.243 3.179 4.644 . 0 0 "[ . 1 . 2]" 1
472 1 71 LYS HA 1 72 ARG H 2.800 . 2.800 2.350 2.141 2.734 . 0 0 "[ . 1 . 2]" 1
473 1 71 LYS QG 1 72 ARG H 5.600 . 5.600 3.986 3.383 4.530 . 0 0 "[ . 1 . 2]" 1
474 1 72 ARG H 1 72 ARG QB 3.808 . 3.808 3.120 2.040 3.403 . 0 0 "[ . 1 . 2]" 1
475 1 72 ARG H 1 72 ARG QG 3.808 . 3.808 2.499 1.978 3.427 . 0 0 "[ . 1 . 2]" 1
476 1 72 ARG H 1 80 VAL MG2 6.000 . 6.000 4.093 3.455 4.615 . 0 0 "[ . 1 . 2]" 1
477 1 72 ARG H 1 81 VAL MG2 6.000 . 6.000 4.762 3.342 4.999 . 0 0 "[ . 1 . 2]" 1
478 1 72 ARG HA 1 73 LYS H 2.800 . 2.800 2.568 2.378 2.782 . 0 0 "[ . 1 . 2]" 1
479 1 72 ARG QB 1 73 LYS H 3.808 . 3.808 2.142 1.927 2.913 . 0 0 "[ . 1 . 2]" 1
480 1 73 LYS HA 1 74 ASP H 2.800 . 2.800 2.603 2.364 2.754 . 0 0 "[ . 1 . 2]" 1
481 1 73 LYS QB 1 74 ASP H 3.136 . 3.136 2.121 1.931 2.795 . 0 0 "[ . 1 . 2]" 1
482 1 73 LYS QD 1 74 ASP H 5.600 . 5.600 4.093 3.460 4.796 . 0 0 "[ . 1 . 2]" 1
483 1 73 LYS QG 1 74 ASP H 5.600 . 5.600 3.795 2.140 4.333 . 0 0 "[ . 1 . 2]" 1
484 1 74 ASP H 1 74 ASP QB 3.808 . 3.808 2.431 2.300 2.908 . 0 0 "[ . 1 . 2]" 1
485 1 74 ASP H 1 75 ASN H 3.400 . 3.400 2.694 2.289 3.208 . 0 0 "[ . 1 . 2]" 1
486 1 74 ASP H 1 79 GLU HA 5.000 . 5.000 4.558 3.681 5.000 . 0 0 "[ . 1 . 2]" 1
487 1 74 ASP QB 1 75 ASN H 5.600 . 5.600 3.779 3.688 4.017 . 0 0 "[ . 1 . 2]" 1
488 1 75 ASN H 1 75 ASN QB 3.808 . 3.808 3.136 3.020 3.430 . 0 0 "[ . 1 . 2]" 1
489 1 74 ASP QB 1 76 GLU H 5.600 . 5.600 3.111 2.867 3.865 . 0 0 "[ . 1 . 2]" 1
490 1 75 ASN HA 1 76 GLU H 3.400 . 3.400 3.306 3.275 3.516 0.116 9 0 "[ . 1 . 2]" 1
491 1 75 ASN QB 1 76 GLU H 3.808 . 3.808 3.310 2.369 3.427 . 0 0 "[ . 1 . 2]" 1
492 1 76 GLU H 1 76 GLU QB 3.136 . 3.136 2.758 2.271 2.822 . 0 0 "[ . 1 . 2]" 1
493 1 76 GLU H 1 78 ASN H 3.400 . 3.400 3.353 2.873 3.455 0.055 9 0 "[ . 1 . 2]" 1
494 1 73 LYS QB 1 77 GLY H 5.600 . 5.600 3.051 2.535 4.500 . 0 0 "[ . 1 . 2]" 1
495 1 75 ASN HA 1 77 GLY H 5.000 . 5.000 4.537 4.213 5.052 0.052 3 0 "[ . 1 . 2]" 1
496 1 76 GLU HA 1 77 GLY H 3.400 . 3.400 3.346 2.221 3.508 0.108 6 0 "[ . 1 . 2]" 1
497 1 76 GLU QB 1 77 GLY H 5.600 . 5.600 2.884 2.408 3.981 . 0 0 "[ . 1 . 2]" 1
498 1 76 GLU QG 1 77 GLY H 3.808 . 3.808 3.420 3.410 3.468 . 0 0 "[ . 1 . 2]" 1
499 1 76 GLU QB 1 78 ASN HD21 5.600 . 5.600 3.555 2.169 4.991 . 0 0 "[ . 1 . 2]" 1
500 1 78 ASN QB 1 78 ASN HD22 3.808 . 3.808 3.273 3.217 3.401 . 0 0 "[ . 1 . 2]" 1
501 1 73 LYS QB 1 78 ASN H 5.600 . 5.600 2.708 1.970 3.867 . 0 0 "[ . 1 . 2]" 1
502 1 76 GLU QB 1 78 ASN H 5.600 . 5.600 3.550 2.800 4.214 . 0 0 "[ . 1 . 2]" 1
503 1 77 GLY QA 1 78 ASN H 3.808 . 3.808 2.808 2.693 2.926 . 0 0 "[ . 1 . 2]" 1
504 1 78 ASN H 1 78 ASN QB 3.808 . 3.808 2.522 2.185 2.773 . 0 0 "[ . 1 . 2]" 1
505 1 78 ASN HA 1 79 GLU H 2.800 . 2.800 2.194 2.140 2.583 . 0 0 "[ . 1 . 2]" 1
506 1 78 ASN QB 1 79 GLU H 5.600 . 5.600 3.400 2.044 3.896 . 0 0 "[ . 1 . 2]" 1
507 1 79 GLU H 1 79 GLU QB 3.136 . 3.136 2.440 2.120 2.795 . 0 0 "[ . 1 . 2]" 1
508 1 73 LYS HA 1 80 VAL H 3.400 . 3.400 2.475 1.957 3.208 . 0 0 "[ . 1 . 2]" 1
509 1 73 LYS QD 1 80 VAL H 5.600 . 5.600 4.267 3.594 4.992 . 0 0 "[ . 1 . 2]" 1
510 1 79 GLU HA 1 80 VAL H 2.800 . 2.800 2.196 2.140 2.355 . 0 0 "[ . 1 . 2]" 1
511 1 79 GLU QG 1 80 VAL H 5.600 . 5.600 4.045 3.096 4.549 . 0 0 "[ . 1 . 2]" 1
512 1 80 VAL H 1 80 VAL MG2 3.360 . 3.360 2.132 1.965 2.516 . 0 0 "[ . 1 . 2]" 1
513 1 80 VAL HB 1 81 VAL H 3.400 . 3.400 1.955 1.882 2.001 . 0 0 "[ . 1 . 2]" 1
514 1 80 VAL MG2 1 81 VAL H 3.360 . 3.360 2.795 2.653 2.829 . 0 0 "[ . 1 . 2]" 1
515 1 81 VAL H 1 81 VAL HB 2.800 . 2.800 2.688 2.522 2.855 0.055 9 0 "[ . 1 . 2]" 1
516 1 81 VAL H 1 81 VAL MG2 3.360 . 3.360 2.568 2.324 2.807 . 0 0 "[ . 1 . 2]" 1
517 1 81 VAL H 1 82 PRO QD 5.600 . 5.600 4.109 2.928 4.366 . 0 0 "[ . 1 . 2]" 1
518 1 80 VAL MG2 1 83 LYS H 6.000 . 6.000 5.001 4.943 5.020 . 0 0 "[ . 1 . 2]" 1
519 1 82 PRO QB 1 83 LYS H 3.808 . 3.808 3.200 2.096 3.399 . 0 0 "[ . 1 . 2]" 1
520 1 82 PRO QD 1 83 LYS H 5.600 . 5.600 4.713 2.515 5.004 . 0 0 "[ . 1 . 2]" 1
521 1 82 PRO QG 1 83 LYS H 5.600 . 5.600 4.499 1.930 4.870 . 0 0 "[ . 1 . 2]" 1
522 1 83 LYS H 1 83 LYS QB 3.136 . 3.136 2.417 2.119 2.795 . 0 0 "[ . 1 . 2]" 1
523 1 83 LYS H 1 83 LYS QD 3.136 . 3.136 2.337 1.934 2.796 . 0 0 "[ . 1 . 2]" 1
524 1 83 LYS H 1 83 LYS QG 3.808 . 3.808 2.906 1.972 3.398 . 0 0 "[ . 1 . 2]" 1
525 1 63 ILE MG 1 85 GLN H 6.000 . 6.000 4.518 3.395 5.003 . 0 0 "[ . 1 . 2]" 1
526 1 84 PRO HA 1 85 GLN H 2.800 . 2.800 2.354 2.161 2.702 . 0 0 "[ . 1 . 2]" 1
527 1 85 GLN H 1 85 GLN QG 3.808 . 3.808 2.166 1.949 2.985 . 0 0 "[ . 1 . 2]" 1
528 1 85 GLN HA 1 86 ARG H 2.800 . 2.800 2.198 2.141 2.553 . 0 0 "[ . 1 . 2]" 1
529 1 85 GLN QB 1 86 ARG H 3.808 . 3.808 3.228 2.160 3.405 . 0 0 "[ . 1 . 2]" 1
530 1 85 GLN QG 1 86 ARG H 5.600 . 5.600 4.397 3.865 4.660 . 0 0 "[ . 1 . 2]" 1
531 1 85 GLN H 1 86 ARG H 5.000 . 5.000 4.462 4.392 4.604 . 0 0 "[ . 1 . 2]" 1
532 1 86 ARG H 1 87 HIS H 5.000 . 5.000 4.316 3.774 4.502 . 0 0 "[ . 1 . 2]" 1
533 1 61 ARG HA 1 87 HIS H 5.000 . 5.000 4.708 4.218 5.003 0.003 12 0 "[ . 1 . 2]" 1
534 1 62 LEU QB 1 87 HIS H 3.808 . 3.808 2.870 2.552 3.398 . 0 0 "[ . 1 . 2]" 1
535 1 63 ILE HA 1 87 HIS H 5.000 . 5.000 3.936 3.621 4.416 . 0 0 "[ . 1 . 2]" 1
536 1 86 ARG HA 1 87 HIS H 2.800 . 2.800 2.251 2.132 2.522 . 0 0 "[ . 1 . 2]" 1
537 1 87 HIS H 1 87 HIS HD2 3.400 . 3.400 3.332 2.990 3.409 0.009 3 0 "[ . 1 . 2]" 1
538 1 9 PHE QD 1 88 MET H 5.600 . 5.600 4.396 3.736 4.990 . 0 0 "[ . 1 . 2]" 1
539 1 9 PHE QE 1 88 MET H 3.808 . 3.808 3.141 2.514 3.396 . 0 0 "[ . 1 . 2]" 1
540 1 87 HIS HA 1 88 MET H 2.800 . 2.800 2.166 2.144 2.295 . 0 0 "[ . 1 . 2]" 1
541 1 87 HIS QB 1 88 MET H 5.600 . 5.600 3.302 2.713 3.473 . 0 0 "[ . 1 . 2]" 1
542 1 88 MET H 1 88 MET QB 3.808 . 3.808 2.292 2.146 2.448 . 0 0 "[ . 1 . 2]" 1
543 1 88 MET H 1 89 PHE H 5.000 . 5.000 4.353 4.225 4.502 . 0 0 "[ . 1 . 2]" 1
544 1 61 ARG HA 1 89 PHE H 3.400 . 3.400 2.765 2.453 3.129 . 0 0 "[ . 1 . 2]" 1
545 1 62 LEU H 1 89 PHE H 5.000 . 5.000 4.444 4.028 5.007 0.007 6 0 "[ . 1 . 2]" 1
546 1 88 MET HA 1 89 PHE H 2.800 . 2.800 2.143 2.130 2.151 . 0 0 "[ . 1 . 2]" 1
547 1 88 MET QB 1 89 PHE H 5.600 . 5.600 3.830 3.405 3.911 . 0 0 "[ . 1 . 2]" 1
548 1 88 MET QG 1 89 PHE H 3.808 . 3.808 3.121 2.763 3.403 . 0 0 "[ . 1 . 2]" 1
549 1 89 PHE H 1 89 PHE QB 3.808 . 3.808 2.515 2.392 2.645 . 0 0 "[ . 1 . 2]" 1
550 1 89 PHE H 1 89 PHE QD 3.808 . 3.808 3.204 2.842 3.389 . 0 0 "[ . 1 . 2]" 1
551 1 89 PHE H 1 89 PHE QE 5.600 . 5.600 4.951 4.812 5.000 . 0 0 "[ . 1 . 2]" 1
552 1 89 PHE H 1 91 PHE QE 5.600 . 5.600 4.965 4.651 5.009 . 0 0 "[ . 1 . 2]" 1
553 1 7 ALA HA 1 90 SER H 5.000 . 5.000 4.882 4.349 5.016 0.016 7 0 "[ . 1 . 2]" 1
554 1 7 ALA MB 1 90 SER H 6.000 . 6.000 4.068 3.631 4.309 . 0 0 "[ . 1 . 2]" 1
555 1 8 ILE HB 1 90 SER H 3.400 . 3.400 2.572 2.250 3.060 . 0 0 "[ . 1 . 2]" 1
556 1 8 ILE MD 1 90 SER H 6.000 . 6.000 4.425 3.817 5.006 . 0 0 "[ . 1 . 2]" 1
557 1 8 ILE MG 1 90 SER H 6.000 . 6.000 3.474 2.754 4.260 . 0 0 "[ . 1 . 2]" 1
558 1 8 ILE H 1 90 SER H 3.400 . 3.400 2.821 2.434 3.074 . 0 0 "[ . 1 . 2]" 1
559 1 9 PHE HA 1 90 SER H 5.000 . 5.000 4.128 3.360 4.604 . 0 0 "[ . 1 . 2]" 1
560 1 89 PHE HA 1 90 SER H 2.800 . 2.800 2.223 2.165 2.471 . 0 0 "[ . 1 . 2]" 1
561 1 89 PHE QB 1 90 SER H 3.808 . 3.808 2.960 2.294 3.138 . 0 0 "[ . 1 . 2]" 1
562 1 89 PHE QD 1 90 SER H 5.600 . 5.600 3.805 3.457 4.011 . 0 0 "[ . 1 . 2]" 1
563 1 89 PHE H 1 90 SER H 5.000 . 5.000 4.435 4.332 4.543 . 0 0 "[ . 1 . 2]" 1
564 1 90 SER H 1 90 SER QB 3.808 . 3.808 2.708 2.300 3.225 . 0 0 "[ . 1 . 2]" 1
565 1 90 SER H 1 91 PHE H 5.000 . 5.000 4.331 4.180 4.458 . 0 0 "[ . 1 . 2]" 1
566 1 59 MET HA 1 91 PHE H 5.000 . 5.000 1.965 1.822 2.330 . 0 0 "[ . 1 . 2]" 1
567 1 90 SER HA 1 91 PHE H 2.800 . 2.800 2.146 2.129 2.172 . 0 0 "[ . 1 . 2]" 1
568 1 90 SER QB 1 91 PHE H 5.600 . 5.600 3.512 3.050 3.874 . 0 0 "[ . 1 . 2]" 1
569 1 91 PHE H 1 91 PHE QD 3.808 . 3.808 2.359 2.080 2.620 . 0 0 "[ . 1 . 2]" 1
570 1 91 PHE H 1 91 PHE QE 5.600 . 5.600 4.686 4.404 4.909 . 0 0 "[ . 1 . 2]" 1
571 1 8 ILE MD 1 92 ASN HD21 6.000 . 6.000 3.260 2.216 4.995 . 0 0 "[ . 1 . 2]" 1
572 1 8 ILE MD 1 92 ASN HD22 6.000 . 6.000 3.685 1.903 4.542 . 0 0 "[ . 1 . 2]" 1
573 1 91 PHE HA 1 92 ASN H 3.400 . 3.400 2.342 2.178 2.662 . 0 0 "[ . 1 . 2]" 1
574 1 91 PHE QB 1 92 ASN H 5.600 . 5.600 2.637 1.982 3.089 . 0 0 "[ . 1 . 2]" 1
575 1 91 PHE QD 1 92 ASN H 5.600 . 5.600 4.027 3.623 4.365 . 0 0 "[ . 1 . 2]" 1
576 1 92 ASN H 1 92 ASN QB 3.808 . 3.808 2.528 2.256 2.905 . 0 0 "[ . 1 . 2]" 1
577 1 93 ASN HD22 1 96 VAL MG1 6.000 . 6.000 4.693 3.334 4.997 . 0 0 "[ . 1 . 2]" 1
578 1 58 MET ME 1 93 ASN H 6.000 . 6.000 4.786 3.474 5.000 . 0 0 "[ . 1 . 2]" 1
579 1 91 PHE QB 1 93 ASN H 3.808 . 3.808 2.759 2.440 3.106 . 0 0 "[ . 1 . 2]" 1
580 1 91 PHE QD 1 93 ASN H 5.600 . 5.600 4.250 3.940 4.825 . 0 0 "[ . 1 . 2]" 1
581 1 92 ASN HA 1 93 ASN H 3.400 . 3.400 3.071 2.623 3.458 0.058 16 0 "[ . 1 . 2]" 1
582 1 93 ASN H 1 94 ARG H 5.000 . 5.000 4.379 4.275 4.558 . 0 0 "[ . 1 . 2]" 1
583 1 93 ASN H 1 96 VAL HB 5.000 . 5.000 4.965 4.450 5.028 0.028 7 0 "[ . 1 . 2]" 1
584 1 93 ASN H 1 96 VAL MG2 6.000 . 6.000 4.586 2.350 4.928 . 0 0 "[ . 1 . 2]" 1
585 1 58 MET ME 1 94 ARG H 6.000 . 6.000 4.560 3.538 5.000 . 0 0 "[ . 1 . 2]" 1
586 1 93 ASN HA 1 94 ARG H 2.800 . 2.800 2.341 2.238 2.592 . 0 0 "[ . 1 . 2]" 1
587 1 93 ASN QB 1 94 ARG H 5.600 . 5.600 2.952 2.628 3.305 . 0 0 "[ . 1 . 2]" 1
588 1 94 ARG H 1 94 ARG QB 3.808 . 3.808 2.749 2.608 3.092 . 0 0 "[ . 1 . 2]" 1
589 1 94 ARG H 1 94 ARG QG 3.808 . 3.808 1.962 1.898 2.041 . 0 0 "[ . 1 . 2]" 1
590 1 93 ASN HA 1 95 THR H 5.000 . 5.000 4.258 4.099 4.448 . 0 0 "[ . 1 . 2]" 1
591 1 93 ASN QB 1 95 THR H 5.600 . 5.600 2.990 2.800 3.334 . 0 0 "[ . 1 . 2]" 1
592 1 94 ARG HA 1 95 THR H 5.000 . 5.000 3.521 3.464 3.551 . 0 0 "[ . 1 . 2]" 1
593 1 94 ARG QB 1 95 THR H 3.808 . 3.808 3.357 2.542 3.421 . 0 0 "[ . 1 . 2]" 1
594 1 94 ARG QG 1 95 THR H 3.808 . 3.808 2.136 1.938 3.404 . 0 0 "[ . 1 . 2]" 1
595 1 94 ARG H 1 95 THR H 5.000 . 5.000 2.379 1.988 2.507 . 0 0 "[ . 1 . 2]" 1
596 1 95 THR H 1 95 THR HB 2.800 . 2.800 2.554 2.055 2.942 0.142 8 0 "[ . 1 . 2]" 1
597 1 95 THR H 1 95 THR MG 4.080 . 4.080 3.462 3.414 3.506 . 0 0 "[ . 1 . 2]" 1
598 1 95 THR H 1 96 VAL H 3.400 . 3.400 2.582 2.378 2.781 . 0 0 "[ . 1 . 2]" 1
599 1 95 THR H 1 98 ASP H 5.000 . 5.000 4.718 4.515 4.997 . 0 0 "[ . 1 . 2]" 1
600 1 93 ASN QB 1 96 VAL H 5.600 . 5.600 2.141 1.981 2.483 . 0 0 "[ . 1 . 2]" 1
601 1 94 ARG H 1 96 VAL H 5.000 . 5.000 3.978 3.624 4.275 . 0 0 "[ . 1 . 2]" 1
602 1 95 THR HA 1 96 VAL H 5.000 . 5.000 3.537 3.464 3.566 . 0 0 "[ . 1 . 2]" 1
603 1 95 THR HB 1 96 VAL H 3.400 . 3.400 2.785 2.400 3.302 . 0 0 "[ . 1 . 2]" 1
604 1 91 PHE QB 1 97 MET H 5.600 . 5.600 3.864 3.379 4.215 . 0 0 "[ . 1 . 2]" 1
605 1 91 PHE QD 1 97 MET H 3.808 . 3.808 3.069 2.789 3.414 . 0 0 "[ . 1 . 2]" 1
606 1 94 ARG HA 1 97 MET H 5.000 . 5.000 3.732 3.472 3.949 . 0 0 "[ . 1 . 2]" 1
607 1 96 VAL HA 1 97 MET H 5.000 . 5.000 3.526 3.473 3.575 . 0 0 "[ . 1 . 2]" 1
608 1 96 VAL H 1 97 MET H 3.400 . 3.400 2.708 2.493 2.853 . 0 0 "[ . 1 . 2]" 1
609 1 97 MET H 1 97 MET QB 3.808 . 3.808 2.492 2.191 2.702 . 0 0 "[ . 1 . 2]" 1
610 1 95 THR HA 1 98 ASP H 3.400 . 3.400 3.410 3.372 3.430 0.030 16 0 "[ . 1 . 2]" 1
611 1 95 THR MG 1 98 ASP H 6.000 . 6.000 4.708 4.481 4.857 . 0 0 "[ . 1 . 2]" 1
612 1 97 MET HA 1 98 ASP H 3.400 . 3.400 3.474 3.456 3.497 0.097 18 0 "[ . 1 . 2]" 1
613 1 97 MET QB 1 98 ASP H 3.808 . 3.808 3.207 2.590 3.450 . 0 0 "[ . 1 . 2]" 1
614 1 97 MET ME 1 98 ASP H 6.000 . 6.000 3.874 2.532 4.545 . 0 0 "[ . 1 . 2]" 1
615 1 97 MET QG 1 98 ASP H 3.808 . 3.808 2.511 1.970 3.410 . 0 0 "[ . 1 . 2]" 1
616 1 98 ASP H 1 98 ASP QB 3.808 . 3.808 2.194 2.073 2.581 . 0 0 "[ . 1 . 2]" 1
617 1 98 ASP H 1 99 ASN H 3.400 . 3.400 2.551 2.458 2.710 . 0 0 "[ . 1 . 2]" 1
618 1 98 ASP H 1 100 ILE H 5.000 . 5.000 4.260 3.858 4.830 . 0 0 "[ . 1 . 2]" 1
619 1 95 THR MG 1 99 ASN HD21 6.000 . 6.000 3.248 2.260 4.122 . 0 0 "[ . 1 . 2]" 1
620 1 99 ASN H 1 99 ASN HD21 5.000 . 5.000 3.250 2.012 4.171 . 0 0 "[ . 1 . 2]" 1
621 1 95 THR MG 1 99 ASN HD22 6.000 . 6.000 2.765 1.958 4.999 . 0 0 "[ . 1 . 2]" 1
622 1 96 VAL HA 1 99 ASN HD22 5.000 . 5.000 3.646 1.942 4.961 . 0 0 "[ . 1 . 2]" 1
623 1 99 ASN H 1 99 ASN HD22 5.000 . 5.000 4.168 3.697 4.774 . 0 0 "[ . 1 . 2]" 1
624 1 95 THR HA 1 99 ASN H 5.000 . 5.000 4.361 3.981 4.722 . 0 0 "[ . 1 . 2]" 1
625 1 96 VAL HA 1 99 ASN H 3.400 . 3.400 3.418 3.398 3.444 0.044 6 0 "[ . 1 . 2]" 1
626 1 97 MET HA 1 99 ASN H 5.000 . 5.000 4.128 3.979 4.473 . 0 0 "[ . 1 . 2]" 1
627 1 98 ASP HA 1 99 ASN H 5.000 . 5.000 3.497 3.468 3.566 . 0 0 "[ . 1 . 2]" 1
628 1 98 ASP QB 1 99 ASN H 3.808 . 3.808 2.848 2.579 3.014 . 0 0 "[ . 1 . 2]" 1
629 1 99 ASN H 1 99 ASN QB 3.136 . 3.136 2.304 2.164 2.532 . 0 0 "[ . 1 . 2]" 1
630 1 99 ASN H 1 100 ILE HB 5.000 . 5.000 4.787 4.544 5.000 . 0 0 "[ . 1 . 2]" 1
631 1 99 ASN H 1 101 LYS H 5.000 . 5.000 4.146 3.944 4.392 . 0 0 "[ . 1 . 2]" 1
632 1 97 MET HA 1 100 ILE H 5.000 . 5.000 3.552 3.241 4.111 . 0 0 "[ . 1 . 2]" 1
633 1 99 ASN HA 1 100 ILE H 5.000 . 5.000 3.534 3.464 3.571 . 0 0 "[ . 1 . 2]" 1
634 1 99 ASN QB 1 100 ILE H 5.600 . 5.600 2.648 2.245 3.524 . 0 0 "[ . 1 . 2]" 1
635 1 99 ASN HD21 1 100 ILE H 5.000 . 5.000 4.579 4.182 4.987 . 0 0 "[ . 1 . 2]" 1
636 1 100 ILE H 1 100 ILE HB 2.800 . 2.800 2.517 2.224 2.599 . 0 0 "[ . 1 . 2]" 1
637 1 60 LEU MD1 1 101 LYS H 6.000 . 6.000 4.341 3.294 4.782 . 0 0 "[ . 1 . 2]" 1
638 1 60 LEU MD2 1 101 LYS H 3.808 . 3.808 2.840 2.517 3.174 . 0 0 "[ . 1 . 2]" 1
639 1 98 ASP HA 1 101 LYS H 5.000 . 5.000 3.854 3.378 4.223 . 0 0 "[ . 1 . 2]" 1
640 1 100 ILE HB 1 101 LYS H 2.800 . 2.800 2.411 2.211 2.808 0.008 20 0 "[ . 1 . 2]" 1
641 1 100 ILE MD 1 101 LYS H 6.000 . 6.000 4.647 4.135 4.829 . 0 0 "[ . 1 . 2]" 1
642 1 100 ILE MG 1 101 LYS H 4.080 . 4.080 3.283 2.778 3.404 . 0 0 "[ . 1 . 2]" 1
643 1 100 ILE H 1 101 LYS H 3.400 . 3.400 2.637 2.416 2.812 . 0 0 "[ . 1 . 2]" 1
644 1 101 LYS H 1 101 LYS QB 3.808 . 3.808 2.241 2.187 2.330 . 0 0 "[ . 1 . 2]" 1
645 1 101 LYS H 1 101 LYS QD 5.600 . 5.600 4.410 3.899 4.622 . 0 0 "[ . 1 . 2]" 1
646 1 99 ASN HA 1 102 MET H 5.000 . 5.000 3.907 3.481 4.256 . 0 0 "[ . 1 . 2]" 1
647 1 100 ILE MG 1 102 MET H 6.000 . 6.000 4.889 4.746 4.999 . 0 0 "[ . 1 . 2]" 1
648 1 101 LYS HA 1 102 MET H 5.000 . 5.000 3.532 3.489 3.572 . 0 0 "[ . 1 . 2]" 1
649 1 101 LYS QD 1 102 MET H 5.600 . 5.600 4.061 2.614 4.971 . 0 0 "[ . 1 . 2]" 1
650 1 101 LYS QE 1 102 MET H 5.600 . 5.600 4.060 2.934 4.989 . 0 0 "[ . 1 . 2]" 1
651 1 101 LYS QG 1 102 MET H 5.600 . 5.600 3.760 1.986 4.274 . 0 0 "[ . 1 . 2]" 1
652 1 101 LYS H 1 102 MET H 3.400 . 3.400 2.793 2.627 3.069 . 0 0 "[ . 1 . 2]" 1
653 1 102 MET H 1 102 MET QB 3.136 . 3.136 2.452 2.281 2.600 . 0 0 "[ . 1 . 2]" 1
654 1 102 MET H 1 102 MET QG 3.808 . 3.808 2.354 2.017 2.727 . 0 0 "[ . 1 . 2]" 1
655 1 102 MET H 1 104 LEU H 5.000 . 5.000 4.056 3.749 4.544 . 0 0 "[ . 1 . 2]" 1
656 1 99 ASN HA 1 103 THR H 5.000 . 5.000 3.976 3.741 4.401 . 0 0 "[ . 1 . 2]" 1
657 1 100 ILE HA 1 103 THR H 5.000 . 5.000 3.438 3.265 3.708 . 0 0 "[ . 1 . 2]" 1
658 1 102 MET HA 1 103 THR H 3.400 . 3.400 3.480 3.448 3.528 0.128 18 0 "[ . 1 . 2]" 1
659 1 102 MET QB 1 103 THR H 3.808 . 3.808 3.114 2.198 3.424 . 0 0 "[ . 1 . 2]" 1
660 1 102 MET QG 1 103 THR H 5.600 . 5.600 3.121 1.887 4.350 . 0 0 "[ . 1 . 2]" 1
661 1 103 THR H 1 103 THR HB 2.800 . 2.800 2.458 2.383 2.543 . 0 0 "[ . 1 . 2]" 1
662 1 103 THR H 1 105 GLN H 5.000 . 5.000 4.323 4.017 4.709 . 0 0 "[ . 1 . 2]" 1
663 1 48 LEU MD2 1 104 LEU H 5.600 . 5.600 3.865 3.369 4.664 . 0 0 "[ . 1 . 2]" 1
664 1 101 LYS HA 1 104 LEU H 5.000 . 5.000 3.980 3.651 4.785 . 0 0 "[ . 1 . 2]" 1
665 1 103 THR HB 1 104 LEU H 3.400 . 3.400 2.647 2.216 2.817 . 0 0 "[ . 1 . 2]" 1
666 1 104 LEU H 1 104 LEU HA 2.800 . 2.800 2.801 2.756 2.819 0.019 17 0 "[ . 1 . 2]" 1
667 1 104 LEU H 1 104 LEU QB 3.808 . 3.808 2.126 2.084 2.185 . 0 0 "[ . 1 . 2]" 1
668 1 104 LEU H 1 105 GLN H 2.800 . 2.800 2.812 2.791 2.829 0.029 1 0 "[ . 1 . 2]" 1
669 1 48 LEU MD2 1 105 GLN HE21 5.600 . 5.600 3.234 2.188 4.414 . 0 0 "[ . 1 . 2]" 1
670 1 48 LEU MD2 1 105 GLN HE22 5.600 . 5.600 4.495 3.436 4.669 . 0 0 "[ . 1 . 2]" 1
671 1 105 GLN HE22 1 105 GLN QG 3.808 . 3.808 3.380 3.223 3.409 . 0 0 "[ . 1 . 2]" 1
672 1 101 LYS HA 1 105 GLN H 5.000 . 5.000 4.119 3.825 4.681 . 0 0 "[ . 1 . 2]" 1
673 1 102 MET HA 1 105 GLN H 5.000 . 5.000 3.964 3.634 4.112 . 0 0 "[ . 1 . 2]" 1
674 1 104 LEU HG 1 105 GLN H 5.000 . 5.000 4.862 4.438 5.009 0.009 20 0 "[ . 1 . 2]" 1
675 1 105 GLN H 1 105 GLN QB 3.136 . 3.136 2.330 2.031 2.564 . 0 0 "[ . 1 . 2]" 1
676 1 105 GLN H 1 105 GLN QG 3.808 . 3.808 2.551 1.948 3.411 . 0 0 "[ . 1 . 2]" 1
677 1 105 GLN H 1 106 GLN H 3.400 . 3.400 2.738 2.693 2.819 . 0 0 "[ . 1 . 2]" 1
678 1 105 GLN QG 1 106 GLN HE22 5.600 . 5.600 4.992 4.990 4.997 . 0 0 "[ . 1 . 2]" 1
679 1 102 MET HA 1 106 GLN H 5.000 . 5.000 4.525 4.249 4.986 . 0 0 "[ . 1 . 2]" 1
680 1 103 THR HA 1 106 GLN H 3.400 . 3.400 3.449 3.438 3.466 0.066 19 0 "[ . 1 . 2]" 1
681 1 103 THR MG 1 106 GLN H 6.000 . 6.000 4.427 4.215 4.532 . 0 0 "[ . 1 . 2]" 1
682 1 104 LEU H 1 106 GLN H 5.000 . 5.000 3.874 3.688 4.284 . 0 0 "[ . 1 . 2]" 1
683 1 105 GLN HA 1 106 GLN H 3.400 . 3.400 3.480 3.459 3.529 0.129 20 0 "[ . 1 . 2]" 1
684 1 106 GLN H 1 106 GLN QB 3.136 . 3.136 2.177 2.057 2.615 . 0 0 "[ . 1 . 2]" 1
685 1 106 GLN H 1 106 GLN QG 3.808 . 3.808 3.124 1.974 3.431 . 0 0 "[ . 1 . 2]" 1
686 1 106 GLN H 1 107 ILE HB 5.000 . 5.000 4.765 4.668 4.859 . 0 0 "[ . 1 . 2]" 1
687 1 106 GLN H 1 107 ILE MD 6.000 . 6.000 3.799 3.343 4.313 . 0 0 "[ . 1 . 2]" 1
688 1 106 GLN H 1 107 ILE QG 5.600 . 5.600 4.846 4.577 4.994 . 0 0 "[ . 1 . 2]" 1
689 1 104 LEU HA 1 107 ILE H 3.400 . 3.400 3.415 3.355 3.434 0.034 3 0 "[ . 1 . 2]" 1
690 1 106 GLN HA 1 107 ILE H 3.400 . 3.400 3.469 3.456 3.477 0.077 4 0 "[ . 1 . 2]" 1
691 1 106 GLN QB 1 107 ILE H 3.808 . 3.808 2.802 2.663 2.858 . 0 0 "[ . 1 . 2]" 1
692 1 107 ILE H 1 107 ILE HB 2.800 . 2.800 2.425 2.384 2.453 . 0 0 "[ . 1 . 2]" 1
693 1 107 ILE H 1 107 ILE MD 4.080 . 4.080 2.425 1.972 2.913 . 0 0 "[ . 1 . 2]" 1
694 1 107 ILE H 1 108 ILE H 3.400 . 3.400 2.284 2.244 2.324 . 0 0 "[ . 1 . 2]" 1
695 1 105 GLN HA 1 108 ILE H 5.000 . 5.000 2.947 2.898 3.005 . 0 0 "[ . 1 . 2]" 1
696 1 106 GLN HA 1 108 ILE H 5.000 . 5.000 4.421 4.277 4.536 . 0 0 "[ . 1 . 2]" 1
697 1 106 GLN H 1 108 ILE H 5.000 . 5.000 3.880 3.815 3.968 . 0 0 "[ . 1 . 2]" 1
698 1 107 ILE HA 1 108 ILE H 5.000 . 5.000 3.491 3.475 3.505 . 0 0 "[ . 1 . 2]" 1
699 1 107 ILE MD 1 108 ILE H 6.000 . 6.000 3.888 3.613 4.200 . 0 0 "[ . 1 . 2]" 1
700 1 107 ILE MG 1 108 ILE H 4.080 . 4.080 3.424 3.413 3.440 . 0 0 "[ . 1 . 2]" 1
701 1 108 ILE H 1 108 ILE HB 2.800 . 2.800 2.643 2.601 2.670 . 0 0 "[ . 1 . 2]" 1
702 1 108 ILE H 1 109 SER H 3.400 . 3.400 2.858 2.742 3.022 . 0 0 "[ . 1 . 2]" 1
703 1 107 ILE HA 1 109 SER H 5.000 . 5.000 4.743 4.579 4.902 . 0 0 "[ . 1 . 2]" 1
704 1 108 ILE HA 1 109 SER H 5.000 . 5.000 3.545 3.535 3.550 . 0 0 "[ . 1 . 2]" 1
705 1 108 ILE HB 1 109 SER H 3.400 . 3.400 2.107 1.998 2.253 . 0 0 "[ . 1 . 2]" 1
706 1 108 ILE MD 1 109 SER H 6.000 . 6.000 4.379 4.217 4.469 . 0 0 "[ . 1 . 2]" 1
707 1 108 ILE MG 1 109 SER H 4.080 . 4.080 3.219 3.058 3.398 . 0 0 "[ . 1 . 2]" 1
708 1 109 SER H 1 109 SER QB 3.136 . 3.136 2.305 2.123 2.796 . 0 0 "[ . 1 . 2]" 1
709 1 107 ILE HA 1 110 ARG H 5.000 . 5.000 3.506 3.321 3.598 . 0 0 "[ . 1 . 2]" 1
710 1 107 ILE MG 1 110 ARG H 6.000 . 6.000 4.343 4.268 4.429 . 0 0 "[ . 1 . 2]" 1
711 1 108 ILE HA 1 110 ARG H 5.000 . 5.000 3.958 3.869 4.096 . 0 0 "[ . 1 . 2]" 1
712 1 108 ILE MG 1 110 ARG H 6.000 . 6.000 4.615 4.591 4.656 . 0 0 "[ . 1 . 2]" 1
713 1 108 ILE H 1 110 ARG H 5.000 . 5.000 3.890 3.739 4.000 . 0 0 "[ . 1 . 2]" 1
714 1 109 SER HA 1 110 ARG H 3.400 . 3.400 3.449 3.437 3.459 0.059 4 0 "[ . 1 . 2]" 1
715 1 109 SER QB 1 110 ARG H 3.808 . 3.808 2.981 2.899 3.415 . 0 0 "[ . 1 . 2]" 1
716 1 110 ARG H 1 110 ARG QD 5.600 . 5.600 4.025 3.755 4.441 . 0 0 "[ . 1 . 2]" 1
717 1 110 ARG H 1 111 TYR QD 5.600 . 5.600 4.532 4.232 4.781 . 0 0 "[ . 1 . 2]" 1
718 1 110 ARG H 1 111 TYR H 2.800 . 2.800 2.729 2.663 2.821 0.021 8 0 "[ . 1 . 2]" 1
719 1 110 ARG H 1 112 LYS H 5.000 . 5.000 4.007 3.797 4.284 . 0 0 "[ . 1 . 2]" 1
720 1 107 ILE MG 1 111 TYR H 6.000 . 6.000 4.759 4.440 5.000 . 0 0 "[ . 1 . 2]" 1
721 1 108 ILE HA 1 111 TYR H 5.000 . 5.000 3.869 3.685 4.186 . 0 0 "[ . 1 . 2]" 1
722 1 108 ILE MG 1 111 TYR H 6.000 . 6.000 4.435 4.178 4.705 . 0 0 "[ . 1 . 2]" 1
723 1 109 SER HA 1 111 TYR H 5.000 . 5.000 3.915 3.570 4.350 . 0 0 "[ . 1 . 2]" 1
724 1 109 SER H 1 111 TYR H 5.000 . 5.000 4.491 4.380 4.718 . 0 0 "[ . 1 . 2]" 1
725 1 110 ARG QG 1 111 TYR H 5.600 . 5.600 3.499 1.957 4.485 . 0 0 "[ . 1 . 2]" 1
726 1 111 TYR H 1 111 TYR QB 3.808 . 3.808 2.720 2.591 2.834 . 0 0 "[ . 1 . 2]" 1
727 1 111 TYR H 1 111 TYR QD 3.808 . 3.808 2.886 2.541 3.087 . 0 0 "[ . 1 . 2]" 1
728 1 111 TYR H 1 111 TYR QE 5.600 . 5.600 4.176 3.929 4.481 . 0 0 "[ . 1 . 2]" 1
729 1 111 TYR H 1 112 LYS HA 5.000 . 5.000 4.924 4.781 5.038 0.038 14 0 "[ . 1 . 2]" 1
730 1 111 TYR H 1 112 LYS QB 5.600 . 5.600 4.189 3.825 4.672 . 0 0 "[ . 1 . 2]" 1
731 1 111 TYR H 1 113 ASP H 5.000 . 5.000 4.491 3.979 5.002 0.002 3 0 "[ . 1 . 2]" 1
732 1 109 SER QB 1 112 LYS H 5.600 . 5.600 4.585 4.339 4.872 . 0 0 "[ . 1 . 2]" 1
733 1 111 TYR QB 1 112 LYS H 5.600 . 5.600 2.924 2.464 3.792 . 0 0 "[ . 1 . 2]" 1
734 1 111 TYR QD 1 112 LYS H 5.600 . 5.600 3.964 3.543 4.770 . 0 0 "[ . 1 . 2]" 1
735 1 112 LYS H 1 112 LYS QB 3.136 . 3.136 2.358 2.125 2.796 . 0 0 "[ . 1 . 2]" 1
736 1 112 LYS H 1 114 ALA H 5.000 . 5.000 3.783 2.777 4.108 . 0 0 "[ . 1 . 2]" 1
737 1 112 LYS H 1 113 ASP H 3.400 . 3.400 2.852 2.406 3.069 . 0 0 "[ . 1 . 2]" 1
738 1 113 ASP H 1 113 ASP QB 3.136 . 3.136 2.252 2.112 2.606 . 0 0 "[ . 1 . 2]" 1
739 1 113 ASP H 1 114 ALA H 3.400 . 3.400 2.674 2.641 2.767 . 0 0 "[ . 1 . 2]" 1
740 1 113 ASP QB 1 114 ALA H 3.808 . 3.808 2.829 2.646 3.395 . 0 0 "[ . 1 . 2]" 1
741 1 114 ALA H 1 114 ALA MB 3.360 . 3.360 2.190 2.105 2.269 . 0 0 "[ . 1 . 2]" 1
742 1 114 ALA MB 1 115 ASP H 3.360 . 3.360 2.490 1.971 2.766 . 0 0 "[ . 1 . 2]" 1
743 1 114 ALA H 1 115 ASP H 3.400 . 3.400 2.600 2.285 2.833 . 0 0 "[ . 1 . 2]" 1
744 1 115 ASP H 1 115 ASP QB 3.136 . 3.136 2.261 2.153 2.815 . 0 0 "[ . 1 . 2]" 1
745 1 2 SER HA 1 99 ASN QB 5.600 . 5.600 3.543 2.155 4.990 . 0 0 "[ . 1 . 2]" 1
746 1 3 HIS HA 1 3 HIS HD2 5.000 . 5.000 4.487 3.862 5.043 0.043 13 0 "[ . 1 . 2]" 1
747 1 3 HIS HA 1 18 ILE HB 5.000 . 5.000 4.011 3.877 4.103 . 0 0 "[ . 1 . 2]" 1
748 1 3 HIS QB 1 18 ILE MD 6.720 . 6.720 2.285 1.944 2.963 . 0 0 "[ . 1 . 2]" 1
749 1 4 SER HA 1 17 ALA HA 2.800 . 2.800 2.041 2.005 2.082 . 0 0 "[ . 1 . 2]" 1
750 1 4 SER HA 1 17 ALA MB 4.080 . 4.080 3.405 3.400 3.411 . 0 0 "[ . 1 . 2]" 1
751 1 4 SER HA 1 100 ILE MD 6.000 . 6.000 2.886 2.562 3.214 . 0 0 "[ . 1 . 2]" 1
752 1 4 SER QB 1 15 ILE MG 4.570 . 4.570 3.268 3.088 3.391 . 0 0 "[ . 1 . 2]" 1
753 1 4 SER QB 1 17 ALA HA 3.808 . 3.808 2.206 1.957 2.603 . 0 0 "[ . 1 . 2]" 1
754 1 4 SER QB 1 17 ALA MB 3.763 . 3.763 2.065 1.880 2.465 . 0 0 "[ . 1 . 2]" 1
755 1 5 GLY QA 1 16 ILE MG 6.720 . 6.720 3.655 3.507 3.893 . 0 0 "[ . 1 . 2]" 1
756 1 5 GLY QA 1 96 VAL MG1 6.720 . 6.720 4.484 2.699 4.988 . 0 0 "[ . 1 . 2]" 1
757 1 5 GLY QA 1 96 VAL MG2 4.570 . 4.570 2.281 1.827 3.402 . 0 0 "[ . 1 . 2]" 1
758 1 6 ALA HA 1 15 ILE QG 5.600 . 5.600 4.287 4.237 4.343 . 0 0 "[ . 1 . 2]" 1
759 1 6 ALA MB 1 7 ALA HA 6.000 . 6.000 4.189 4.156 4.227 . 0 0 "[ . 1 . 2]" 1
760 1 6 ALA MB 1 15 ILE HA 4.080 . 4.080 3.358 3.262 3.400 . 0 0 "[ . 1 . 2]" 1
761 1 6 ALA MB 1 92 ASN QB 6.720 . 6.720 4.846 3.949 4.989 . 0 0 "[ . 1 . 2]" 1
762 1 6 ALA HA 1 7 ALA HA 5.000 . 5.000 4.398 4.394 4.408 . 0 0 "[ . 1 . 2]" 1
763 1 7 ALA HA 1 8 ILE MD 6.000 . 6.000 3.913 3.135 5.028 . 0 0 "[ . 1 . 2]" 1
764 1 7 ALA HA 1 91 PHE HA 5.000 . 5.000 3.357 2.780 3.610 . 0 0 "[ . 1 . 2]" 1
765 1 7 ALA HA 1 91 PHE QD 5.600 . 5.600 4.104 3.847 4.424 . 0 0 "[ . 1 . 2]" 1
766 1 7 ALA MB 1 8 ILE HA 6.000 . 6.000 4.164 4.056 4.222 . 0 0 "[ . 1 . 2]" 1
767 1 7 ALA MB 1 16 ILE QG 3.763 . 3.763 1.887 1.814 1.919 . 0 0 "[ . 1 . 2]" 1
768 1 7 ALA MB 1 89 PHE HA 6.000 . 6.000 4.311 4.056 5.004 . 0 0 "[ . 1 . 2]" 1
769 1 7 ALA MB 1 89 PHE QB 6.720 . 6.720 2.573 2.327 3.059 . 0 0 "[ . 1 . 2]" 1
770 1 7 ALA MB 1 91 PHE HA 6.000 . 6.000 4.337 3.862 4.606 . 0 0 "[ . 1 . 2]" 1
771 1 7 ALA MB 1 91 PHE QD 6.720 . 6.720 3.764 3.486 3.957 . 0 0 "[ . 1 . 2]" 1
772 1 7 ALA MB 1 91 PHE QE 4.570 . 4.570 2.951 2.591 3.217 . 0 0 "[ . 1 . 2]" 1
773 1 7 ALA MB 1 100 ILE MD 7.200 . 7.200 3.778 3.521 4.046 . 0 0 "[ . 1 . 2]" 1
774 1 8 ILE HA 1 8 ILE QG 3.808 . 3.808 2.393 2.068 3.249 . 0 0 "[ . 1 . 2]" 1
775 1 8 ILE HA 1 8 ILE MG 3.360 . 3.360 2.485 2.293 2.627 . 0 0 "[ . 1 . 2]" 1
776 1 8 ILE HA 1 13 SER HA 2.800 . 2.800 2.011 1.923 2.215 . 0 0 "[ . 1 . 2]" 1
777 1 8 ILE HA 1 29 TRP HZ2 5.000 . 5.000 3.607 3.441 3.756 . 0 0 "[ . 1 . 2]" 1
778 1 8 ILE HB 1 90 SER QB 3.808 . 3.808 2.292 1.941 3.322 . 0 0 "[ . 1 . 2]" 1
779 1 8 ILE HA 1 8 ILE MD 4.080 . 4.080 3.154 1.923 3.487 . 0 0 "[ . 1 . 2]" 1
780 1 8 ILE MD 1 13 SER QB 6.720 . 6.720 2.327 1.850 2.846 . 0 0 "[ . 1 . 2]" 1
781 1 8 ILE MD 1 90 SER QB 6.720 . 6.720 3.237 2.066 4.659 . 0 0 "[ . 1 . 2]" 1
782 1 8 ILE MD 1 92 ASN QB 6.720 . 6.720 3.304 2.553 3.970 . 0 0 "[ . 1 . 2]" 1
783 1 8 ILE MG 1 11 LYS HA 3.360 . 3.360 2.776 2.479 2.813 . 0 0 "[ . 1 . 2]" 1
784 1 8 ILE MG 1 11 LYS QG 6.720 . 6.720 4.453 4.202 4.525 . 0 0 "[ . 1 . 2]" 1
785 1 8 ILE MG 1 90 SER QB 4.570 . 4.570 2.884 2.279 3.390 . 0 0 "[ . 1 . 2]" 1
786 1 9 PHE HA 1 9 PHE QD 3.808 . 3.808 2.319 1.985 2.997 . 0 0 "[ . 1 . 2]" 1
787 1 9 PHE HA 1 9 PHE QE 5.600 . 5.600 4.366 4.201 4.624 . 0 0 "[ . 1 . 2]" 1
788 1 9 PHE HA 1 89 PHE HA 5.000 . 5.000 3.434 2.707 3.795 . 0 0 "[ . 1 . 2]" 1
789 1 9 PHE HA 1 89 PHE QD 5.600 . 5.600 3.457 2.774 4.052 . 0 0 "[ . 1 . 2]" 1
790 1 9 PHE QE 1 10 GLU QG 6.272 . 6.272 3.364 2.188 4.779 . 0 0 "[ . 1 . 2]" 1
791 1 10 GLU HA 1 10 GLU QG 3.808 . 3.808 2.381 2.129 3.108 . 0 0 "[ . 1 . 2]" 1
792 1 11 LYS HA 1 11 LYS QG 3.136 . 3.136 2.635 2.581 2.775 . 0 0 "[ . 1 . 2]" 1
793 1 10 GLU HA 1 11 LYS QG 5.600 . 5.600 3.147 3.038 3.541 . 0 0 "[ . 1 . 2]" 1
794 1 8 ILE MG 1 12 VAL HA 6.000 . 6.000 3.486 3.231 3.774 . 0 0 "[ . 1 . 2]" 1
795 1 12 VAL HA 1 12 VAL MG2 3.360 . 3.360 2.197 2.148 2.262 . 0 0 "[ . 1 . 2]" 1
796 1 12 VAL HB 1 29 TRP HH2 6.000 . 6.000 4.454 4.184 4.518 . 0 0 "[ . 1 . 2]" 1
797 1 12 VAL HB 1 29 TRP HZ2 5.000 . 5.000 5.016 5.002 5.044 0.044 12 0 "[ . 1 . 2]" 1
798 1 12 VAL MG1 1 29 TRP HH2 7.200 . 7.200 1.804 1.768 1.836 0.032 16 0 "[ . 1 . 2]" 1
799 1 12 VAL MG1 1 29 TRP HZ2 6.000 . 6.000 2.273 2.187 2.613 . 0 0 "[ . 1 . 2]" 1
800 1 12 VAL MG1 1 36 LYS QD 4.570 . 4.570 1.940 1.704 2.705 0.096 8 0 "[ . 1 . 2]" 1
801 1 12 VAL MG2 1 29 TRP HH2 4.896 . 4.896 3.305 2.257 3.536 . 0 0 "[ . 1 . 2]" 1
802 1 12 VAL MG2 1 29 TRP HZ2 4.080 . 4.080 3.341 2.917 3.407 . 0 0 "[ . 1 . 2]" 1
803 1 12 VAL MG2 1 31 SER HA 6.000 . 6.000 4.424 4.213 4.548 . 0 0 "[ . 1 . 2]" 1
804 1 12 VAL MG2 1 31 SER QB 4.570 . 4.570 3.402 3.391 3.411 . 0 0 "[ . 1 . 2]" 1
805 1 12 VAL MG2 1 36 LYS QD 4.570 . 4.570 2.614 1.722 3.364 0.078 10 0 "[ . 1 . 2]" 1
806 1 8 ILE MD 1 13 SER HA 4.080 . 4.080 2.889 1.787 3.436 0.013 16 0 "[ . 1 . 2]" 1
807 1 8 ILE QG 1 13 SER HA 3.808 . 3.808 2.166 1.650 3.436 0.150 11 0 "[ . 1 . 2]" 1
808 1 8 ILE MG 1 13 SER HA 4.080 . 4.080 2.743 1.961 3.339 . 0 0 "[ . 1 . 2]" 1
809 1 8 ILE QG 1 13 SER QB 6.272 . 6.272 2.527 1.927 3.945 . 0 0 "[ . 1 . 2]" 1
810 1 6 ALA HA 1 15 ILE HA 2.800 . 2.800 1.915 1.883 1.949 . 0 0 "[ . 1 . 2]" 1
811 1 7 ALA MB 1 15 ILE HA 6.000 . 6.000 4.274 4.194 4.379 . 0 0 "[ . 1 . 2]" 1
812 1 5 GLY QA 1 15 ILE MD 6.720 . 6.720 4.955 4.785 4.994 . 0 0 "[ . 1 . 2]" 1
813 1 6 ALA HA 1 15 ILE MD 3.360 . 3.360 2.552 2.460 2.673 . 0 0 "[ . 1 . 2]" 1
814 1 6 ALA MB 1 15 ILE MD 4.896 . 4.896 2.368 2.280 2.444 . 0 0 "[ . 1 . 2]" 1
815 1 15 ILE HA 1 15 ILE MD 3.360 . 3.360 2.238 2.189 2.292 . 0 0 "[ . 1 . 2]" 1
816 1 15 ILE MD 1 32 THR HA 3.360 . 3.360 2.825 2.820 2.830 . 0 0 "[ . 1 . 2]" 1
817 1 4 SER HA 1 15 ILE MG 6.000 . 6.000 4.685 4.552 4.774 . 0 0 "[ . 1 . 2]" 1
818 1 6 ALA HA 1 15 ILE MG 4.080 . 4.080 2.825 2.770 2.897 . 0 0 "[ . 1 . 2]" 1
819 1 6 ALA MB 1 15 ILE MG 4.896 . 4.896 3.416 3.413 3.418 . 0 0 "[ . 1 . 2]" 1
820 1 15 ILE HA 1 15 ILE MG 3.360 . 3.360 2.167 2.141 2.186 . 0 0 "[ . 1 . 2]" 1
821 1 15 ILE MG 1 17 ALA MB 4.032 . 4.032 2.843 2.839 2.848 . 0 0 "[ . 1 . 2]" 1
822 1 16 ILE HA 1 29 TRP HA 3.400 . 3.400 2.117 2.030 2.191 . 0 0 "[ . 1 . 2]" 1
823 1 7 ALA MB 1 16 ILE HB 4.080 . 4.080 1.842 1.797 1.860 0.003 9 0 "[ . 1 . 2]" 1
824 1 16 ILE HB 1 29 TRP HA 5.000 . 5.000 4.721 4.600 4.791 . 0 0 "[ . 1 . 2]" 1
825 1 16 ILE HB 1 29 TRP HD1 5.000 . 5.000 3.478 3.386 3.595 . 0 0 "[ . 1 . 2]" 1
826 1 7 ALA MB 1 16 ILE MD 4.032 . 4.032 1.810 1.784 1.840 0.016 14 0 "[ . 1 . 2]" 1
827 1 16 ILE MD 1 27 LEU MD1 4.896 . 4.896 2.777 2.296 3.069 . 0 0 "[ . 1 . 2]" 1
828 1 16 ILE MD 1 27 LEU MD2 4.896 . 4.896 1.990 1.902 2.106 . 0 0 "[ . 1 . 2]" 1
829 1 16 ILE MD 1 27 LEU HG 6.000 . 6.000 3.822 3.674 4.025 . 0 0 "[ . 1 . 2]" 1
830 1 16 ILE MD 1 29 TRP HD1 6.000 . 6.000 3.448 3.405 3.521 . 0 0 "[ . 1 . 2]" 1
831 1 16 ILE MD 1 91 PHE QE 6.720 . 6.720 3.201 2.991 3.410 . 0 0 "[ . 1 . 2]" 1
832 1 16 ILE MD 1 91 PHE HZ 6.000 . 6.000 2.871 2.163 3.366 . 0 0 "[ . 1 . 2]" 1
833 1 16 ILE QG 1 29 TRP HD1 5.600 . 5.600 1.820 1.760 1.868 0.040 11 0 "[ . 1 . 2]" 1
834 1 4 SER HA 1 16 ILE MG 4.080 . 4.080 2.927 2.868 3.034 . 0 0 "[ . 1 . 2]" 1
835 1 7 ALA MB 1 16 ILE MG 4.032 . 4.032 2.849 2.843 2.864 . 0 0 "[ . 1 . 2]" 1
836 1 16 ILE MG 1 27 LEU MD2 4.032 . 4.032 2.815 2.810 2.819 . 0 0 "[ . 1 . 2]" 1
837 1 16 ILE MG 1 27 LEU HG 3.360 . 3.360 2.684 2.579 2.800 . 0 0 "[ . 1 . 2]" 1
838 1 16 ILE MG 1 29 TRP HD1 6.000 . 6.000 4.445 4.424 4.478 . 0 0 "[ . 1 . 2]" 1
839 1 16 ILE MG 1 91 PHE HZ 6.000 . 6.000 3.225 2.731 3.585 . 0 0 "[ . 1 . 2]" 1
840 1 3 HIS QB 1 18 ILE HB 5.600 . 5.600 2.348 2.001 2.826 . 0 0 "[ . 1 . 2]" 1
841 1 3 HIS HD2 1 18 ILE HB 5.000 . 5.000 2.747 2.345 3.068 . 0 0 "[ . 1 . 2]" 1
842 1 3 HIS HA 1 18 ILE MD 4.080 . 4.080 2.268 2.180 2.698 . 0 0 "[ . 1 . 2]" 1
843 1 3 HIS HD2 1 18 ILE MD 6.000 . 6.000 3.798 3.416 4.279 . 0 0 "[ . 1 . 2]" 1
844 1 18 ILE HA 1 18 ILE MD 4.080 . 4.080 3.378 3.153 3.404 . 0 0 "[ . 1 . 2]" 1
845 1 18 ILE MD 1 27 LEU HA 6.000 . 6.000 4.383 4.037 4.507 . 0 0 "[ . 1 . 2]" 1
846 1 18 ILE MD 1 100 ILE MD 4.032 . 4.032 2.653 2.301 2.802 . 0 0 "[ . 1 . 2]" 1
847 1 18 ILE MD 1 103 THR HB 4.080 . 4.080 3.038 2.852 3.296 . 0 0 "[ . 1 . 2]" 1
848 1 18 ILE MD 1 104 LEU HA 6.000 . 6.000 4.090 3.767 4.293 . 0 0 "[ . 1 . 2]" 1
849 1 18 ILE HA 1 18 ILE QG 3.808 . 3.808 2.354 2.277 2.415 . 0 0 "[ . 1 . 2]" 1
850 1 18 ILE QG 1 27 LEU HA 3.808 . 3.808 3.076 2.935 3.206 . 0 0 "[ . 1 . 2]" 1
851 1 18 ILE QG 1 103 THR MG 3.763 . 3.763 2.766 2.613 2.798 . 0 0 "[ . 1 . 2]" 1
852 1 3 HIS HA 1 18 ILE MG 6.000 . 6.000 5.004 5.000 5.012 . 0 0 "[ . 1 . 2]" 1
853 1 3 HIS HD2 1 18 ILE MG 4.080 . 4.080 3.139 2.625 3.402 . 0 0 "[ . 1 . 2]" 1
854 1 18 ILE MG 1 25 ALA MB 4.032 . 4.032 2.749 2.615 2.815 . 0 0 "[ . 1 . 2]" 1
855 1 18 ILE MG 1 27 LEU HA 6.000 . 6.000 3.408 3.333 3.573 . 0 0 "[ . 1 . 2]" 1
856 1 18 ILE MG 1 19 ASN HA 6.000 . 6.000 3.966 3.832 4.094 . 0 0 "[ . 1 . 2]" 1
857 1 19 ASN HA 1 22 VAL MG2 6.000 . 6.000 4.872 4.715 4.949 . 0 0 "[ . 1 . 2]" 1
858 1 20 GLU HA 1 25 ALA HA 3.400 . 3.400 2.993 2.862 3.231 . 0 0 "[ . 1 . 2]" 1
859 1 3 HIS HD2 1 20 GLU QG 5.600 . 5.600 2.419 1.999 3.236 . 0 0 "[ . 1 . 2]" 1
860 1 18 ILE MD 1 20 GLU QG 6.720 . 6.720 4.684 4.480 4.988 . 0 0 "[ . 1 . 2]" 1
861 1 20 GLU HA 1 20 GLU QG 3.808 . 3.808 2.383 2.129 3.419 . 0 0 "[ . 1 . 2]" 1
862 1 20 GLU QG 1 107 ILE MD 6.720 . 6.720 3.583 3.202 4.937 . 0 0 "[ . 1 . 2]" 1
863 1 22 VAL HA 1 22 VAL MG1 3.360 . 3.360 2.325 2.216 2.450 . 0 0 "[ . 1 . 2]" 1
864 1 22 VAL HA 1 22 VAL HB 2.800 . 2.800 2.446 2.419 2.493 . 0 0 "[ . 1 . 2]" 1
865 1 22 VAL MG2 1 25 ALA MB 7.200 . 7.200 3.738 3.187 4.044 . 0 0 "[ . 1 . 2]" 1
866 1 22 VAL MG2 1 26 GLU QG 4.570 . 4.570 2.162 1.912 3.147 . 0 0 "[ . 1 . 2]" 1
867 1 23 SER QB 1 24 PRO HA 5.600 . 5.600 3.947 3.853 3.996 . 0 0 "[ . 1 . 2]" 1
868 1 24 PRO HA 1 111 TYR QE 5.600 . 5.600 2.926 2.390 3.446 . 0 0 "[ . 1 . 2]" 1
869 1 22 VAL MG2 1 25 ALA HA 3.360 . 3.360 2.500 1.896 2.817 . 0 0 "[ . 1 . 2]" 1
870 1 20 GLU HA 1 25 ALA MB 3.360 . 3.360 2.766 2.706 2.812 . 0 0 "[ . 1 . 2]" 1
871 1 20 GLU QB 1 25 ALA MB 6.720 . 6.720 3.852 3.104 4.239 . 0 0 "[ . 1 . 2]" 1
872 1 20 GLU QG 1 25 ALA MB 6.720 . 6.720 2.715 2.039 4.556 . 0 0 "[ . 1 . 2]" 1
873 1 25 ALA MB 1 107 ILE MD 4.896 . 4.896 3.189 2.796 3.396 . 0 0 "[ . 1 . 2]" 1
874 1 25 ALA MB 1 111 TYR QE 6.720 . 6.720 3.844 3.307 4.085 . 0 0 "[ . 1 . 2]" 1
875 1 26 GLU HA 1 41 VAL HA 3.400 . 3.400 2.177 2.078 2.277 . 0 0 "[ . 1 . 2]" 1
876 1 26 GLU HA 1 41 VAL MG2 4.080 . 4.080 3.443 3.430 3.454 . 0 0 "[ . 1 . 2]" 1
877 1 26 GLU QG 1 41 VAL HA 5.600 . 5.600 3.203 2.466 4.814 . 0 0 "[ . 1 . 2]" 1
878 1 18 ILE HA 1 27 LEU HA 3.400 . 3.400 1.980 1.940 2.083 . 0 0 "[ . 1 . 2]" 1
879 1 27 LEU HA 1 42 LEU MD2 4.080 . 4.080 3.429 3.399 3.444 . 0 0 "[ . 1 . 2]" 1
880 1 27 LEU QB 1 42 LEU MD2 4.570 . 4.570 1.959 1.801 2.048 . 0 0 "[ . 1 . 2]" 1
881 1 27 LEU MD1 1 62 LEU MD2 4.032 . 4.032 2.801 2.767 2.818 . 0 0 "[ . 1 . 2]" 1
882 1 27 LEU MD2 1 38 HIS HD2 6.000 . 6.000 4.354 3.640 4.933 . 0 0 "[ . 1 . 2]" 1
883 1 27 LEU MD2 1 40 VAL HB 6.000 . 6.000 2.135 1.988 2.269 . 0 0 "[ . 1 . 2]" 1
884 1 27 LEU MD2 1 40 VAL MG1 4.896 . 4.896 3.056 2.607 3.311 . 0 0 "[ . 1 . 2]" 1
885 1 27 LEU MD2 1 89 PHE QD 6.720 . 6.720 4.216 3.837 4.449 . 0 0 "[ . 1 . 2]" 1
886 1 27 LEU MD2 1 89 PHE QE 4.570 . 4.570 3.250 2.735 3.394 . 0 0 "[ . 1 . 2]" 1
887 1 27 LEU MD2 1 89 PHE HZ 4.080 . 4.080 3.231 2.886 3.400 . 0 0 "[ . 1 . 2]" 1
888 1 27 LEU MD2 1 28 THR HA 6.000 . 6.000 3.993 3.697 4.311 . 0 0 "[ . 1 . 2]" 1
889 1 28 THR HA 1 39 THR HA 2.800 . 2.800 2.170 2.008 2.364 . 0 0 "[ . 1 . 2]" 1
890 1 17 ALA MB 1 28 THR HB 4.080 . 4.080 3.403 3.318 3.416 . 0 0 "[ . 1 . 2]" 1
891 1 28 THR HB 1 37 VAL MG2 6.000 . 6.000 4.977 4.743 5.000 . 0 0 "[ . 1 . 2]" 1
892 1 28 THR HB 1 39 THR MG 6.000 . 6.000 4.375 3.814 4.794 . 0 0 "[ . 1 . 2]" 1
893 1 28 THR MG 1 37 VAL HA 6.000 . 6.000 4.723 4.510 4.863 . 0 0 "[ . 1 . 2]" 1
894 1 28 THR MG 1 37 VAL MG2 4.032 . 4.032 2.732 2.548 2.801 . 0 0 "[ . 1 . 2]" 1
895 1 16 ILE QG 1 29 TRP HA 5.600 . 5.600 2.946 2.837 3.029 . 0 0 "[ . 1 . 2]" 1
896 1 7 ALA MB 1 29 TRP HD1 6.000 . 6.000 2.468 2.324 2.579 . 0 0 "[ . 1 . 2]" 1
897 1 16 ILE HA 1 29 TRP HD1 5.000 . 5.000 2.936 2.916 2.979 . 0 0 "[ . 1 . 2]" 1
898 1 29 TRP HA 1 29 TRP HD1 5.000 . 5.000 2.846 2.784 2.896 . 0 0 "[ . 1 . 2]" 1
899 1 30 ARG HA 1 37 VAL HB 5.000 . 5.000 4.269 4.100 4.477 . 0 0 "[ . 1 . 2]" 1
900 1 30 ARG QD 1 37 VAL MG2 6.720 . 6.720 3.513 2.318 4.472 . 0 0 "[ . 1 . 2]" 1
901 1 29 TRP HZ2 1 31 SER HA 5.000 . 5.000 3.442 3.379 3.552 . 0 0 "[ . 1 . 2]" 1
902 1 32 THR HA 1 32 THR HB 2.800 . 2.800 2.857 2.850 2.866 0.066 4 0 "[ . 1 . 2]" 1
903 1 32 THR HA 1 32 THR MG 3.360 . 3.360 2.202 2.185 2.208 . 0 0 "[ . 1 . 2]" 1
904 1 15 ILE MD 1 32 THR MG 4.896 . 4.896 2.006 1.916 2.231 . 0 0 "[ . 1 . 2]" 1
905 1 32 THR MG 1 33 ASP HA 6.000 . 6.000 4.874 4.857 4.894 . 0 0 "[ . 1 . 2]" 1
906 1 36 LYS HA 1 36 LYS QG 3.808 . 3.808 2.528 2.395 3.315 . 0 0 "[ . 1 . 2]" 1
907 1 36 LYS HA 1 37 VAL MG2 6.000 . 6.000 5.023 5.021 5.027 . 0 0 "[ . 1 . 2]" 1
908 1 31 SER QB 1 36 LYS QB 6.272 . 6.272 2.374 1.903 3.673 . 0 0 "[ . 1 . 2]" 1
909 1 12 VAL MG1 1 36 LYS QE 6.720 . 6.720 3.102 1.768 4.017 0.032 6 0 "[ . 1 . 2]" 1
910 1 30 ARG HA 1 37 VAL HA 2.800 . 2.800 2.818 2.807 2.832 0.032 9 0 "[ . 1 . 2]" 1
911 1 30 ARG QB 1 37 VAL HA 5.600 . 5.600 4.819 4.724 4.927 . 0 0 "[ . 1 . 2]" 1
912 1 30 ARG QG 1 37 VAL HA 5.600 . 5.600 4.231 3.980 4.618 . 0 0 "[ . 1 . 2]" 1
913 1 37 VAL HA 1 37 VAL MG2 3.360 . 3.360 2.146 2.123 2.157 . 0 0 "[ . 1 . 2]" 1
914 1 30 ARG HA 1 37 VAL MG2 4.080 . 4.080 2.059 1.920 2.392 . 0 0 "[ . 1 . 2]" 1
915 1 30 ARG QB 1 37 VAL MG2 4.570 . 4.570 3.220 2.886 3.390 . 0 0 "[ . 1 . 2]" 1
916 1 37 VAL HA 1 38 HIS HA 5.000 . 5.000 4.498 4.416 4.520 . 0 0 "[ . 1 . 2]" 1
917 1 38 HIS HD2 1 89 PHE QE 5.600 . 5.600 3.771 2.755 4.990 . 0 0 "[ . 1 . 2]" 1
918 1 38 HIS HD2 1 89 PHE HZ 5.000 . 5.000 2.938 1.997 4.169 . 0 0 "[ . 1 . 2]" 1
919 1 28 THR HB 1 39 THR HA 5.000 . 5.000 4.994 4.855 5.031 0.031 8 0 "[ . 1 . 2]" 1
920 1 28 THR MG 1 39 THR HA 4.080 . 4.080 3.250 2.877 3.399 . 0 0 "[ . 1 . 2]" 1
921 1 39 THR HA 1 39 THR MG 3.360 . 3.360 2.235 2.069 2.405 . 0 0 "[ . 1 . 2]" 1
922 1 28 THR MG 1 39 THR HB 6.000 . 6.000 4.561 4.061 4.992 . 0 0 "[ . 1 . 2]" 1
923 1 28 THR HA 1 39 THR MG 6.000 . 6.000 2.993 2.347 3.532 . 0 0 "[ . 1 . 2]" 1
924 1 39 THR MG 1 40 VAL HA 6.000 . 6.000 4.144 3.741 4.538 . 0 0 "[ . 1 . 2]" 1
925 1 27 LEU MD1 1 40 VAL HB 6.000 . 6.000 4.080 3.880 4.198 . 0 0 "[ . 1 . 2]" 1
926 1 26 GLU HA 1 40 VAL MG1 6.000 . 6.000 4.045 3.795 4.325 . 0 0 "[ . 1 . 2]" 1
927 1 27 LEU QB 1 40 VAL MG1 6.720 . 6.720 2.395 1.927 2.640 . 0 0 "[ . 1 . 2]" 1
928 1 40 VAL HA 1 40 VAL MG1 3.360 . 3.360 2.639 2.625 2.668 . 0 0 "[ . 1 . 2]" 1
929 1 40 VAL MG1 1 45 ILE MD 4.032 . 4.032 1.817 1.742 2.322 0.058 5 0 "[ . 1 . 2]" 1
930 1 40 VAL MG1 1 62 LEU MD1 4.896 . 4.896 3.423 3.405 3.433 . 0 0 "[ . 1 . 2]" 1
931 1 40 VAL MG1 1 62 LEU MD2 4.032 . 4.032 2.194 2.045 2.774 . 0 0 "[ . 1 . 2]" 1
932 1 40 VAL MG1 1 87 HIS HD2 6.000 . 6.000 3.136 2.769 3.431 . 0 0 "[ . 1 . 2]" 1
933 1 27 LEU QB 1 40 VAL MG2 6.720 . 6.720 3.514 3.438 3.601 . 0 0 "[ . 1 . 2]" 1
934 1 27 LEU MD1 1 40 VAL MG2 7.200 . 7.200 4.593 4.407 4.716 . 0 0 "[ . 1 . 2]" 1
935 1 27 LEU MD2 1 40 VAL MG2 4.032 . 4.032 2.823 2.816 2.833 . 0 0 "[ . 1 . 2]" 1
936 1 38 HIS HD2 1 40 VAL MG2 4.080 . 4.080 2.529 2.026 3.306 . 0 0 "[ . 1 . 2]" 1
937 1 39 THR HA 1 40 VAL MG2 6.000 . 6.000 4.151 4.020 4.341 . 0 0 "[ . 1 . 2]" 1
938 1 40 VAL HA 1 40 VAL MG2 3.360 . 3.360 2.082 2.041 2.131 . 0 0 "[ . 1 . 2]" 1
939 1 40 VAL MG2 1 62 LEU MD1 7.200 . 7.200 4.441 4.039 4.544 . 0 0 "[ . 1 . 2]" 1
940 1 40 VAL MG2 1 87 HIS HD2 4.080 . 4.080 2.225 1.914 2.876 . 0 0 "[ . 1 . 2]" 1
941 1 40 VAL MG2 1 89 PHE HZ 6.000 . 6.000 2.636 2.381 2.837 . 0 0 "[ . 1 . 2]" 1
942 1 26 GLU QB 1 41 VAL HA 5.600 . 5.600 2.810 2.398 3.224 . 0 0 "[ . 1 . 2]" 1
943 1 40 VAL HB 1 41 VAL HA 5.000 . 5.000 5.119 5.101 5.139 0.139 1 0 "[ . 1 . 2]" 1
944 1 41 VAL HA 1 41 VAL MG2 3.360 . 3.360 2.198 2.167 2.254 . 0 0 "[ . 1 . 2]" 1
945 1 24 PRO QB 1 41 VAL MG1 6.720 . 6.720 2.380 2.077 2.941 . 0 0 "[ . 1 . 2]" 1
946 1 24 PRO QD 1 41 VAL MG1 6.720 . 6.720 4.365 3.896 4.497 . 0 0 "[ . 1 . 2]" 1
947 1 24 PRO QG 1 41 VAL MG1 3.763 . 3.763 2.800 2.699 2.810 . 0 0 "[ . 1 . 2]" 1
948 1 26 GLU HA 1 41 VAL MG1 6.000 . 6.000 3.567 3.305 3.729 . 0 0 "[ . 1 . 2]" 1
949 1 41 VAL HA 1 41 VAL MG1 3.360 . 3.360 2.409 2.340 2.488 . 0 0 "[ . 1 . 2]" 1
950 1 26 GLU HA 1 42 LEU MD1 6.000 . 6.000 4.763 4.586 4.997 . 0 0 "[ . 1 . 2]" 1
951 1 27 LEU QB 1 42 LEU MD1 4.570 . 4.570 3.273 3.066 3.391 . 0 0 "[ . 1 . 2]" 1
952 1 40 VAL MG1 1 42 LEU MD1 4.032 . 4.032 2.645 2.407 2.797 . 0 0 "[ . 1 . 2]" 1
953 1 40 VAL MG2 1 42 LEU MD1 7.200 . 7.200 4.762 4.528 4.892 . 0 0 "[ . 1 . 2]" 1
954 1 42 LEU HA 1 42 LEU MD1 3.360 . 3.360 2.017 1.912 2.109 . 0 0 "[ . 1 . 2]" 1
955 1 42 LEU MD1 1 62 LEU MD1 4.896 . 4.896 2.862 2.629 3.413 . 0 0 "[ . 1 . 2]" 1
956 1 42 LEU MD1 1 62 LEU MD2 4.032 . 4.032 2.685 1.898 2.807 . 0 0 "[ . 1 . 2]" 1
957 1 26 GLU HA 1 42 LEU MD2 6.000 . 6.000 2.285 2.132 2.401 . 0 0 "[ . 1 . 2]" 1
958 1 26 GLU HA 1 42 LEU HG 5.000 . 5.000 4.914 4.749 5.020 0.020 6 0 "[ . 1 . 2]" 1
959 1 43 SER HA 1 111 TYR QD 5.600 . 5.600 3.311 3.072 3.626 . 0 0 "[ . 1 . 2]" 1
960 1 43 SER HA 1 111 TYR QE 5.600 . 5.600 2.876 2.825 2.950 . 0 0 "[ . 1 . 2]" 1
961 1 44 THR HA 1 44 THR MG 3.360 . 3.360 2.658 2.626 2.681 . 0 0 "[ . 1 . 2]" 1
962 1 44 THR HA 1 65 LYS QD 5.600 . 5.600 3.306 1.989 4.235 . 0 0 "[ . 1 . 2]" 1
963 1 44 THR HA 1 44 THR HB 2.800 . 2.800 2.317 2.306 2.331 . 0 0 "[ . 1 . 2]" 1
964 1 44 THR HB 1 65 LYS QD 5.600 . 5.600 4.226 3.351 4.709 . 0 0 "[ . 1 . 2]" 1
965 1 41 VAL HB 1 44 THR MG 4.080 . 4.080 1.982 1.879 2.138 . 0 0 "[ . 1 . 2]" 1
966 1 41 VAL MG1 1 44 THR MG 4.032 . 4.032 1.961 1.863 2.343 . 0 0 "[ . 1 . 2]" 1
967 1 42 LEU HA 1 45 ILE MD 6.000 . 6.000 3.645 3.591 3.745 . 0 0 "[ . 1 . 2]" 1
968 1 45 ILE MD 1 62 LEU QB 6.720 . 6.720 2.745 1.724 3.308 0.076 6 0 "[ . 1 . 2]" 1
969 1 45 ILE MD 1 62 LEU HG 6.000 . 6.000 2.096 1.858 3.813 . 0 0 "[ . 1 . 2]" 1
970 1 40 VAL MG1 1 45 ILE MG 7.200 . 7.200 3.685 3.245 4.055 . 0 0 "[ . 1 . 2]" 1
971 1 45 ILE MG 1 62 LEU HA 6.000 . 6.000 3.273 2.941 3.413 . 0 0 "[ . 1 . 2]" 1
972 1 45 ILE MG 1 62 LEU HG 4.080 . 4.080 2.687 2.080 2.917 . 0 0 "[ . 1 . 2]" 1
973 1 45 ILE MG 1 47 LYS HA 6.000 . 6.000 3.241 2.973 3.733 . 0 0 "[ . 1 . 2]" 1
974 1 47 LYS HA 1 108 ILE MD 6.000 . 6.000 3.415 2.423 4.813 . 0 0 "[ . 1 . 2]" 1
975 1 47 LYS QB 1 63 ILE HB 5.600 . 5.600 3.171 1.924 3.907 . 0 0 "[ . 1 . 2]" 1
976 1 47 LYS QB 1 63 ILE MG 6.720 . 6.720 3.905 2.785 4.499 . 0 0 "[ . 1 . 2]" 1
977 1 47 LYS QG 1 63 ILE HB 5.600 . 5.600 2.539 1.852 3.863 . 0 0 "[ . 1 . 2]" 1
978 1 47 LYS QG 1 63 ILE MD 6.720 . 6.720 4.154 3.303 4.996 . 0 0 "[ . 1 . 2]" 1
979 1 48 LEU HA 1 62 LEU HA 5.000 . 5.000 2.707 2.289 2.910 . 0 0 "[ . 1 . 2]" 1
980 1 48 LEU HA 1 62 LEU MD2 6.000 . 6.000 4.485 3.334 4.756 . 0 0 "[ . 1 . 2]" 1
981 1 48 LEU QB 1 108 ILE MD 6.720 . 6.720 2.541 1.680 3.722 0.120 7 0 "[ . 1 . 2]" 1
982 1 48 LEU MD1 1 105 GLN QB 6.720 . 6.720 4.019 1.962 4.991 . 0 0 "[ . 1 . 2]" 1
983 1 48 LEU MD1 1 105 GLN QG 6.720 . 6.720 4.492 1.925 4.992 . 0 0 "[ . 1 . 2]" 1
984 1 48 LEU MD2 1 105 GLN HA 6.000 . 6.000 3.672 2.883 4.770 . 0 0 "[ . 1 . 2]" 1
985 1 48 LEU MD2 1 105 GLN QG 6.720 . 6.720 3.435 2.146 4.351 . 0 0 "[ . 1 . 2]" 1
986 1 50 ALA MB 1 60 LEU HA 6.000 . 6.000 3.668 3.160 3.986 . 0 0 "[ . 1 . 2]" 1
987 1 50 ALA MB 1 60 LEU MD1 4.032 . 4.032 2.384 1.803 2.797 . 0 0 "[ . 1 . 2]" 1
988 1 50 ALA MB 1 101 LYS QE 6.720 . 6.720 3.504 1.865 4.637 . 0 0 "[ . 1 . 2]" 1
989 1 51 THR HA 1 52 PRO QD 3.808 . 3.808 1.707 1.699 1.737 0.101 11 0 "[ . 1 . 2]" 1
990 1 51 THR HA 1 52 PRO QG 3.808 . 3.808 3.520 3.511 3.554 . 0 0 "[ . 1 . 2]" 1
991 1 51 THR HB 1 52 PRO QD 5.600 . 5.600 3.547 2.401 3.804 . 0 0 "[ . 1 . 2]" 1
992 1 51 THR HB 1 52 PRO QG 5.600 . 5.600 4.530 4.346 4.666 . 0 0 "[ . 1 . 2]" 1
993 1 51 THR HB 1 55 SER QB 5.600 . 5.600 2.103 1.909 2.421 . 0 0 "[ . 1 . 2]" 1
994 1 51 THR HA 1 51 THR MG 3.360 . 3.360 2.299 2.055 2.513 . 0 0 "[ . 1 . 2]" 1
995 1 51 THR MG 1 52 PRO QD 6.720 . 6.720 3.371 2.584 3.730 . 0 0 "[ . 1 . 2]" 1
996 1 51 THR MG 1 59 MET HA 6.000 . 6.000 4.095 3.594 4.630 . 0 0 "[ . 1 . 2]" 1
997 1 51 THR MG 1 59 MET QB 6.720 . 6.720 2.565 1.938 3.435 . 0 0 "[ . 1 . 2]" 1
998 1 51 THR MG 1 59 MET ME 4.032 . 4.032 2.535 1.881 2.799 . 0 0 "[ . 1 . 2]" 1
999 1 52 PRO HA 1 52 PRO QG 3.808 . 3.808 3.450 3.399 3.456 . 0 0 "[ . 1 . 2]" 1
1000 1 52 PRO HA 1 53 ALA MB 6.000 . 6.000 4.106 4.054 4.175 . 0 0 "[ . 1 . 2]" 1
1001 1 53 ALA MB 1 54 SER HA 6.000 . 6.000 3.908 3.846 4.001 . 0 0 "[ . 1 . 2]" 1
1002 1 51 THR MG 1 55 SER QB 4.570 . 4.570 2.814 1.902 3.292 . 0 0 "[ . 1 . 2]" 1
1003 1 52 PRO QG 1 55 SER QB 4.265 . 4.265 3.125 2.427 3.409 . 0 0 "[ . 1 . 2]" 1
1004 1 56 GLU HA 1 56 GLU QG 3.808 . 3.808 2.328 2.098 2.902 . 0 0 "[ . 1 . 2]" 1
1005 1 57 LYS HA 1 57 LYS QD 3.808 . 3.808 2.492 2.097 3.413 . 0 0 "[ . 1 . 2]" 1
1006 1 57 LYS HA 1 57 LYS QE 3.808 . 3.808 2.873 2.248 3.472 . 0 0 "[ . 1 . 2]" 1
1007 1 57 LYS HA 1 57 LYS QG 3.808 . 3.808 2.963 2.276 3.405 . 0 0 "[ . 1 . 2]" 1
1008 1 58 MET HA 1 58 MET ME 3.360 . 3.360 2.784 2.462 2.818 . 0 0 "[ . 1 . 2]" 1
1009 1 58 MET HA 1 58 MET QG 3.136 . 3.136 2.476 2.040 2.706 . 0 0 "[ . 1 . 2]" 1
1010 1 58 MET ME 1 94 ARG HA 6.000 . 6.000 2.801 1.900 4.572 . 0 0 "[ . 1 . 2]" 1
1011 1 59 MET HA 1 59 MET ME 6.000 . 6.000 4.402 4.112 5.016 . 0 0 "[ . 1 . 2]" 1
1012 1 59 MET HA 1 90 SER HA 3.400 . 3.400 2.131 1.977 2.322 . 0 0 "[ . 1 . 2]" 1
1013 1 57 LYS QE 1 59 MET ME 6.720 . 6.720 4.607 3.340 4.993 . 0 0 "[ . 1 . 2]" 1
1014 1 51 THR MG 1 59 MET QG 6.720 . 6.720 3.129 1.714 4.265 0.086 5 0 "[ . 1 . 2]" 1
1015 1 59 MET QG 1 90 SER HA 5.600 . 5.600 2.653 1.963 4.239 . 0 0 "[ . 1 . 2]" 1
1016 1 60 LEU QB 1 91 PHE QE 6.272 . 6.272 2.067 1.909 2.263 . 0 0 "[ . 1 . 2]" 1
1017 1 50 ALA HA 1 60 LEU MD1 4.080 . 4.080 2.479 1.930 3.336 . 0 0 "[ . 1 . 2]" 1
1018 1 60 LEU HA 1 60 LEU MD1 4.080 . 4.080 2.584 2.157 3.097 . 0 0 "[ . 1 . 2]" 1
1019 1 60 LEU MD1 1 91 PHE QE 6.720 . 6.720 3.276 2.680 4.240 . 0 0 "[ . 1 . 2]" 1
1020 1 60 LEU MD1 1 91 PHE HZ 6.000 . 6.000 3.968 3.116 4.997 . 0 0 "[ . 1 . 2]" 1
1021 1 60 LEU MD1 1 101 LYS HA 6.000 . 6.000 4.793 3.158 5.000 . 0 0 "[ . 1 . 2]" 1
1022 1 50 ALA MB 1 60 LEU MD2 4.896 . 4.896 2.496 1.843 3.397 . 0 0 "[ . 1 . 2]" 1
1023 1 60 LEU MD2 1 91 PHE QE 4.570 . 4.570 2.865 2.485 3.397 . 0 0 "[ . 1 . 2]" 1
1024 1 60 LEU MD2 1 91 PHE HZ 6.000 . 6.000 2.707 2.001 4.028 . 0 0 "[ . 1 . 2]" 1
1025 1 60 LEU MD2 1 97 MET HA 6.000 . 6.000 3.007 2.412 3.641 . 0 0 "[ . 1 . 2]" 1
1026 1 60 LEU MD2 1 101 LYS HA 4.080 . 4.080 2.769 2.238 3.404 . 0 0 "[ . 1 . 2]" 1
1027 1 60 LEU HG 1 91 PHE QE 5.600 . 5.600 4.638 3.244 4.991 . 0 0 "[ . 1 . 2]" 1
1028 1 61 ARG HA 1 62 LEU MD1 6.000 . 6.000 4.833 3.506 5.024 . 0 0 "[ . 1 . 2]" 1
1029 1 61 ARG HA 1 88 MET QB 5.600 . 5.600 4.833 4.606 4.991 . 0 0 "[ . 1 . 2]" 1
1030 1 61 ARG HA 1 88 MET QG 5.600 . 5.600 4.243 3.539 4.995 . 0 0 "[ . 1 . 2]" 1
1031 1 45 ILE MD 1 62 LEU MD1 4.896 . 4.896 2.906 2.620 3.447 . 0 0 "[ . 1 . 2]" 1
1032 1 62 LEU HA 1 62 LEU MD1 4.080 . 4.080 1.915 1.754 3.252 0.046 10 0 "[ . 1 . 2]" 1
1033 1 62 LEU MD1 1 89 PHE QD 6.720 . 6.720 4.398 2.837 4.867 . 0 0 "[ . 1 . 2]" 1
1034 1 40 VAL MG2 1 62 LEU MD2 7.200 . 7.200 2.684 2.289 4.229 . 0 0 "[ . 1 . 2]" 1
1035 1 62 LEU HA 1 62 LEU MD2 4.080 . 4.080 3.451 3.412 3.480 . 0 0 "[ . 1 . 2]" 1
1036 1 62 LEU MD2 1 87 HIS HD2 4.080 . 4.080 3.399 3.381 3.405 . 0 0 "[ . 1 . 2]" 1
1037 1 48 LEU HA 1 62 LEU HG 5.000 . 5.000 4.760 2.394 5.054 0.054 11 0 "[ . 1 . 2]" 1
1038 1 63 ILE HA 1 86 ARG HA 3.400 . 3.400 2.702 2.248 3.162 . 0 0 "[ . 1 . 2]" 1
1039 1 63 ILE HA 1 86 ARG QG 5.600 . 5.600 3.582 2.680 4.598 . 0 0 "[ . 1 . 2]" 1
1040 1 47 LYS QB 1 63 ILE MD 6.720 . 6.720 4.717 3.646 5.016 . 0 0 "[ . 1 . 2]" 1
1041 1 47 LYS QE 1 63 ILE MD 6.720 . 6.720 3.943 3.045 4.985 . 0 0 "[ . 1 . 2]" 1
1042 1 63 ILE HA 1 63 ILE MD 3.360 . 3.360 2.051 1.814 2.195 . 0 0 "[ . 1 . 2]" 1
1043 1 63 ILE MD 1 84 PRO QG 3.763 . 3.763 2.799 2.797 2.811 . 0 0 "[ . 1 . 2]" 1
1044 1 63 ILE MD 1 86 ARG HA 6.000 . 6.000 3.286 2.148 4.151 . 0 0 "[ . 1 . 2]" 1
1045 1 63 ILE MD 1 86 ARG QB 6.720 . 6.720 2.342 1.740 3.732 0.060 8 0 "[ . 1 . 2]" 1
1046 1 63 ILE MD 1 86 ARG QD 4.570 . 4.570 2.404 1.792 3.259 0.008 7 0 "[ . 1 . 2]" 1
1047 1 63 ILE MD 1 86 ARG QG 4.570 . 4.570 2.445 1.708 3.396 0.092 16 0 "[ . 1 . 2]" 1
1048 1 46 ASP QB 1 63 ILE MG 6.720 . 6.720 1.900 1.727 2.566 0.073 5 0 "[ . 1 . 2]" 1
1049 1 63 ILE HA 1 63 ILE MG 3.360 . 3.360 2.377 2.305 2.471 . 0 0 "[ . 1 . 2]" 1
1050 1 63 ILE MG 1 84 PRO HA 6.000 . 6.000 4.554 4.045 4.985 . 0 0 "[ . 1 . 2]" 1
1051 1 63 ILE MG 1 84 PRO QB 4.570 . 4.570 2.308 1.906 2.842 . 0 0 "[ . 1 . 2]" 1
1052 1 63 ILE MG 1 84 PRO QG 3.763 . 3.763 2.031 1.831 2.419 . 0 0 "[ . 1 . 2]" 1
1053 1 63 ILE MG 1 86 ARG HA 6.000 . 6.000 4.269 3.912 4.664 . 0 0 "[ . 1 . 2]" 1
1054 1 63 ILE MG 1 86 ARG QG 6.720 . 6.720 3.982 2.877 4.781 . 0 0 "[ . 1 . 2]" 1
1055 1 45 ILE HA 1 64 GLY QA 3.808 . 3.808 2.019 1.848 2.549 . 0 0 "[ . 1 . 2]" 1
1056 1 45 ILE MD 1 64 GLY QA 6.720 . 6.720 2.539 2.332 2.835 . 0 0 "[ . 1 . 2]" 1
1057 1 46 ASP HA 1 65 LYS HA 5.000 . 5.000 4.267 3.692 5.013 0.013 13 0 "[ . 1 . 2]" 1
1058 1 46 ASP QB 1 65 LYS HA 3.808 . 3.808 2.790 2.229 3.168 . 0 0 "[ . 1 . 2]" 1
1059 1 46 ASP HA 1 65 LYS QE 5.600 . 5.600 3.463 1.982 4.562 . 0 0 "[ . 1 . 2]" 1
1060 1 65 LYS HA 1 65 LYS QE 5.600 . 5.600 3.935 3.672 4.042 . 0 0 "[ . 1 . 2]" 1
1061 1 46 ASP HA 1 65 LYS QG 5.600 . 5.600 4.914 4.262 5.001 . 0 0 "[ . 1 . 2]" 1
1062 1 46 ASP QB 1 65 LYS QG 6.272 . 6.272 4.529 3.692 4.950 . 0 0 "[ . 1 . 2]" 1
1063 1 66 VAL HA 1 66 VAL HB 2.800 . 2.800 2.531 2.410 2.905 0.105 13 0 "[ . 1 . 2]" 1
1064 1 66 VAL HB 1 84 PRO HA 3.400 . 3.400 2.986 2.107 3.444 0.044 3 0 "[ . 1 . 2]" 1
1065 1 68 GLU HA 1 81 VAL MG2 6.000 . 6.000 4.644 2.888 5.010 . 0 0 "[ . 1 . 2]" 1
1066 1 70 LYS HA 1 70 LYS QD 3.136 . 3.136 2.326 1.945 2.795 . 0 0 "[ . 1 . 2]" 1
1067 1 70 LYS HA 1 70 LYS QG 3.808 . 3.808 2.751 2.172 3.389 . 0 0 "[ . 1 . 2]" 1
1068 1 71 LYS HA 1 71 LYS QD 3.808 . 3.808 2.982 2.097 3.474 . 0 0 "[ . 1 . 2]" 1
1069 1 71 LYS HA 1 71 LYS QG 3.808 . 3.808 2.405 2.006 3.407 . 0 0 "[ . 1 . 2]" 1
1070 1 71 LYS HA 1 81 VAL MG2 6.000 . 6.000 4.220 1.971 5.004 . 0 0 "[ . 1 . 2]" 1
1071 1 71 LYS HA 1 82 PRO QD 5.600 . 5.600 2.875 1.958 4.989 . 0 0 "[ . 1 . 2]" 1
1072 1 72 ARG HA 1 72 ARG QG 3.808 . 3.808 3.308 2.009 3.422 . 0 0 "[ . 1 . 2]" 1
1073 1 73 LYS HA 1 73 LYS QD 3.808 . 3.808 2.918 2.129 3.394 . 0 0 "[ . 1 . 2]" 1
1074 1 73 LYS HA 1 79 GLU HA 2.800 . 2.800 2.427 1.978 2.806 0.006 6 0 "[ . 1 . 2]" 1
1075 1 73 LYS HA 1 80 VAL MG2 4.080 . 4.080 2.917 2.222 3.416 . 0 0 "[ . 1 . 2]" 1
1076 1 74 ASP HA 1 80 VAL MG2 4.080 . 4.080 3.234 2.596 3.401 . 0 0 "[ . 1 . 2]" 1
1077 1 74 ASP QB 1 80 VAL MG2 6.720 . 6.720 2.510 1.893 3.503 . 0 0 "[ . 1 . 2]" 1
1078 1 75 ASN QB 1 76 GLU QG 6.272 . 6.272 3.531 2.841 5.038 . 0 0 "[ . 1 . 2]" 1
1079 1 76 GLU HA 1 76 GLU QG 3.136 . 3.136 2.690 2.275 2.794 . 0 0 "[ . 1 . 2]" 1
1080 1 73 LYS QB 1 77 GLY QA 6.272 . 6.272 3.196 1.942 4.475 . 0 0 "[ . 1 . 2]" 1
1081 1 73 LYS QD 1 77 GLY QA 6.272 . 6.272 3.465 1.966 4.980 . 0 0 "[ . 1 . 2]" 1
1082 1 78 ASN QB 1 80 VAL MG2 6.720 . 6.720 4.091 3.159 4.658 . 0 0 "[ . 1 . 2]" 1
1083 1 73 LYS QG 1 79 GLU HA 5.600 . 5.600 2.993 1.990 4.971 . 0 0 "[ . 1 . 2]" 1
1084 1 79 GLU HA 1 80 VAL MG2 6.000 . 6.000 3.868 3.714 4.041 . 0 0 "[ . 1 . 2]" 1
1085 1 73 LYS HA 1 79 GLU QB 5.600 . 5.600 4.397 3.817 4.920 . 0 0 "[ . 1 . 2]" 1
1086 1 73 LYS QE 1 79 GLU QB 6.272 . 6.272 3.713 1.974 4.979 . 0 0 "[ . 1 . 2]" 1
1087 1 80 VAL HA 1 80 VAL HB 2.800 . 2.800 2.429 2.390 2.440 . 0 0 "[ . 1 . 2]" 1
1088 1 80 VAL HA 1 81 VAL MG2 4.080 . 4.080 3.260 3.023 3.409 . 0 0 "[ . 1 . 2]" 1
1089 1 72 ARG QD 1 80 VAL MG2 4.570 . 4.570 3.198 1.985 3.402 . 0 0 "[ . 1 . 2]" 1
1090 1 80 VAL MG2 1 82 PRO HA 6.000 . 6.000 4.002 3.204 4.222 . 0 0 "[ . 1 . 2]" 1
1091 1 71 LYS QG 1 81 VAL HA 5.600 . 5.600 3.973 2.457 4.993 . 0 0 "[ . 1 . 2]" 1
1092 1 81 VAL HA 1 82 PRO QD 3.136 . 3.136 1.969 1.882 2.278 . 0 0 "[ . 1 . 2]" 1
1093 1 81 VAL HA 1 81 VAL MG2 3.360 . 3.360 2.443 2.378 2.510 . 0 0 "[ . 1 . 2]" 1
1094 1 81 VAL MG2 1 82 PRO QD 6.720 . 6.720 3.558 3.360 3.883 . 0 0 "[ . 1 . 2]" 1
1095 1 82 PRO HA 1 82 PRO QG 3.808 . 3.808 3.146 2.836 3.487 . 0 0 "[ . 1 . 2]" 1
1096 1 83 LYS HA 1 83 LYS QG 3.808 . 3.808 2.504 2.054 3.396 . 0 0 "[ . 1 . 2]" 1
1097 1 83 LYS HA 1 84 PRO QD 3.136 . 3.136 2.021 1.873 2.290 . 0 0 "[ . 1 . 2]" 1
1098 1 84 PRO HA 1 84 PRO QG 3.808 . 3.808 3.485 3.479 3.491 . 0 0 "[ . 1 . 2]" 1
1099 1 85 GLN HA 1 85 GLN QG 3.808 . 3.808 2.684 2.278 3.341 . 0 0 "[ . 1 . 2]" 1
1100 1 63 ILE MG 1 86 ARG QD 6.720 . 6.720 4.104 3.321 4.987 . 0 0 "[ . 1 . 2]" 1
1101 1 9 PHE QE 1 87 HIS HA 5.600 . 5.600 3.264 2.544 3.887 . 0 0 "[ . 1 . 2]" 1
1102 1 45 ILE MD 1 87 HIS HD2 4.080 . 4.080 2.634 2.005 3.249 . 0 0 "[ . 1 . 2]" 1
1103 1 62 LEU QB 1 87 HIS HD2 5.600 . 5.600 2.141 1.943 2.493 . 0 0 "[ . 1 . 2]" 1
1104 1 62 LEU MD1 1 87 HIS HD2 6.000 . 6.000 4.383 3.526 4.901 . 0 0 "[ . 1 . 2]" 1
1105 1 62 LEU HG 1 87 HIS HD2 5.000 . 5.000 3.363 2.805 5.005 0.005 1 0 "[ . 1 . 2]" 1
1106 1 86 ARG HA 1 87 HIS HD2 5.000 . 5.000 4.492 3.757 4.962 . 0 0 "[ . 1 . 2]" 1
1107 1 61 ARG HA 1 88 MET HA 3.400 . 3.400 2.809 2.469 3.096 . 0 0 "[ . 1 . 2]" 1
1108 1 88 MET HA 1 88 MET ME 6.000 . 6.000 3.565 2.140 4.443 . 0 0 "[ . 1 . 2]" 1
1109 1 16 ILE MD 1 89 PHE QD 6.720 . 6.720 2.829 2.312 3.267 . 0 0 "[ . 1 . 2]" 1
1110 1 29 TRP QB 1 89 PHE QE 6.272 . 6.272 3.229 2.532 3.831 . 0 0 "[ . 1 . 2]" 1
1111 1 40 VAL MG2 1 89 PHE QE 6.720 . 6.720 2.968 2.618 3.283 . 0 0 "[ . 1 . 2]" 1
1112 1 62 LEU MD1 1 89 PHE QE 6.720 . 6.720 4.140 2.486 4.832 . 0 0 "[ . 1 . 2]" 1
1113 1 90 SER HA 1 91 PHE QD 5.600 . 5.600 3.156 2.959 3.381 . 0 0 "[ . 1 . 2]" 1
1114 1 59 MET HA 1 90 SER QB 5.600 . 5.600 3.889 3.585 4.141 . 0 0 "[ . 1 . 2]" 1
1115 1 59 MET ME 1 90 SER QB 6.720 . 6.720 4.790 4.377 4.996 . 0 0 "[ . 1 . 2]" 1
1116 1 59 MET QG 1 90 SER QB 6.272 . 6.272 2.772 2.018 4.564 . 0 0 "[ . 1 . 2]" 1
1117 1 59 MET HA 1 91 PHE QD 5.600 . 5.600 2.952 2.821 3.130 . 0 0 "[ . 1 . 2]" 1
1118 1 16 ILE MG 1 91 PHE QE 6.720 . 6.720 3.933 3.245 4.261 . 0 0 "[ . 1 . 2]" 1
1119 1 91 PHE QE 1 97 MET QB 6.272 . 6.272 3.990 3.386 4.650 . 0 0 "[ . 1 . 2]" 1
1120 1 91 PHE QE 1 100 ILE HB 3.808 . 3.808 2.487 1.959 3.404 . 0 0 "[ . 1 . 2]" 1
1121 1 91 PHE QE 1 100 ILE MD 6.720 . 6.720 3.357 2.384 3.585 . 0 0 "[ . 1 . 2]" 1
1122 1 94 ARG HA 1 97 MET QB 5.600 . 5.600 3.618 2.480 4.426 . 0 0 "[ . 1 . 2]" 1
1123 1 95 THR HA 1 95 THR HB 2.800 . 2.800 2.905 2.888 2.921 0.121 14 0 "[ . 1 . 2]" 1
1124 1 95 THR HA 1 98 ASP QB 5.600 . 5.600 2.540 2.150 3.247 . 0 0 "[ . 1 . 2]" 1
1125 1 95 THR HA 1 95 THR MG 3.360 . 3.360 2.493 2.196 2.847 . 0 0 "[ . 1 . 2]" 1
1126 1 96 VAL HA 1 99 ASN QB 5.600 . 5.600 2.849 2.538 4.020 . 0 0 "[ . 1 . 2]" 1
1127 1 93 ASN QB 1 96 VAL HB 5.600 . 5.600 2.766 2.398 3.488 . 0 0 "[ . 1 . 2]" 1
1128 1 93 ASN HA 1 96 VAL MG1 6.000 . 6.000 3.629 3.407 4.123 . 0 0 "[ . 1 . 2]" 1
1129 1 93 ASN QB 1 96 VAL MG1 4.570 . 4.570 1.752 1.688 1.871 0.112 16 0 "[ . 1 . 2]" 1
1130 1 6 ALA MB 1 96 VAL MG2 4.896 . 4.896 3.264 2.901 3.401 . 0 0 "[ . 1 . 2]" 1
1131 1 91 PHE QD 1 96 VAL MG2 4.570 . 4.570 2.494 1.878 3.370 . 0 0 "[ . 1 . 2]" 1
1132 1 91 PHE QE 1 96 VAL MG2 6.720 . 6.720 2.657 2.312 3.158 . 0 0 "[ . 1 . 2]" 1
1133 1 93 ASN QB 1 96 VAL MG2 6.720 . 6.720 3.621 1.697 4.009 0.103 7 0 "[ . 1 . 2]" 1
1134 1 50 ALA MB 1 97 MET ME 7.200 . 7.200 3.378 2.255 4.390 . 0 0 "[ . 1 . 2]" 1
1135 1 94 ARG HA 1 97 MET ME 6.000 . 6.000 3.492 1.981 4.418 . 0 0 "[ . 1 . 2]" 1
1136 1 98 ASP HA 1 101 LYS QB 3.808 . 3.808 2.884 2.350 3.409 . 0 0 "[ . 1 . 2]" 1
1137 1 98 ASP HA 1 101 LYS QE 5.600 . 5.600 3.498 2.354 4.988 . 0 0 "[ . 1 . 2]" 1
1138 1 99 ASN HA 1 102 MET QB 5.600 . 5.600 3.699 2.434 4.958 . 0 0 "[ . 1 . 2]" 1
1139 1 18 ILE MD 1 100 ILE HA 4.080 . 4.080 3.359 3.243 3.408 . 0 0 "[ . 1 . 2]" 1
1140 1 3 HIS HA 1 100 ILE MD 6.000 . 6.000 4.085 3.639 4.664 . 0 0 "[ . 1 . 2]" 1
1141 1 4 SER QB 1 100 ILE MD 6.720 . 6.720 4.238 3.974 4.554 . 0 0 "[ . 1 . 2]" 1
1142 1 5 GLY QA 1 100 ILE MD 6.720 . 6.720 2.486 1.993 2.734 . 0 0 "[ . 1 . 2]" 1
1143 1 16 ILE HB 1 100 ILE MD 6.000 . 6.000 3.309 3.120 3.456 . 0 0 "[ . 1 . 2]" 1
1144 1 16 ILE MD 1 100 ILE MD 4.896 . 4.896 3.356 3.240 3.407 . 0 0 "[ . 1 . 2]" 1
1145 1 91 PHE HZ 1 100 ILE MD 4.080 . 4.080 3.404 3.217 3.423 . 0 0 "[ . 1 . 2]" 1
1146 1 100 ILE HA 1 100 ILE MD 3.360 . 3.360 2.221 2.082 2.680 . 0 0 "[ . 1 . 2]" 1
1147 1 16 ILE MD 1 100 ILE MG 4.896 . 4.896 2.965 2.662 3.395 . 0 0 "[ . 1 . 2]" 1
1148 1 91 PHE QE 1 100 ILE MG 6.720 . 6.720 3.127 2.588 3.593 . 0 0 "[ . 1 . 2]" 1
1149 1 91 PHE HZ 1 100 ILE MG 4.080 . 4.080 2.137 1.846 2.649 . 0 0 "[ . 1 . 2]" 1
1150 1 48 LEU MD1 1 101 LYS HA 6.000 . 6.000 4.108 2.745 4.996 . 0 0 "[ . 1 . 2]" 1
1151 1 48 LEU MD2 1 101 LYS HA 6.000 . 6.000 2.306 1.820 2.755 . 0 0 "[ . 1 . 2]" 1
1152 1 101 LYS HA 1 104 LEU MD2 6.000 . 6.000 3.693 3.002 4.947 . 0 0 "[ . 1 . 2]" 1
1153 1 102 MET HA 1 105 GLN QG 5.600 . 5.600 3.127 1.964 4.998 . 0 0 "[ . 1 . 2]" 1
1154 1 99 ASN HA 1 102 MET ME 6.000 . 6.000 3.861 2.515 4.997 . 0 0 "[ . 1 . 2]" 1
1155 1 102 MET HA 1 102 MET ME 6.000 . 6.000 4.558 3.882 4.986 . 0 0 "[ . 1 . 2]" 1
1156 1 100 ILE HA 1 103 THR HB 5.000 . 5.000 2.503 2.080 2.722 . 0 0 "[ . 1 . 2]" 1
1157 1 100 ILE MD 1 103 THR HB 6.000 . 6.000 3.726 3.456 4.288 . 0 0 "[ . 1 . 2]" 1
1158 1 3 HIS HA 1 103 THR MG 6.000 . 6.000 1.889 1.819 2.147 . 0 0 "[ . 1 . 2]" 1
1159 1 3 HIS HD2 1 103 THR MG 6.000 . 6.000 3.821 2.739 4.720 . 0 0 "[ . 1 . 2]" 1
1160 1 18 ILE HB 1 103 THR MG 6.000 . 6.000 3.351 3.146 3.458 . 0 0 "[ . 1 . 2]" 1
1161 1 100 ILE MD 1 103 THR MG 7.200 . 7.200 3.945 3.391 4.593 . 0 0 "[ . 1 . 2]" 1
1162 1 103 THR HA 1 103 THR MG 3.360 . 3.360 2.451 2.352 2.528 . 0 0 "[ . 1 . 2]" 1
1163 1 103 THR MG 1 107 ILE MD 4.032 . 4.032 2.438 2.231 2.645 . 0 0 "[ . 1 . 2]" 1
1164 1 104 LEU HA 1 107 ILE HB 5.000 . 5.000 3.249 3.030 3.386 . 0 0 "[ . 1 . 2]" 1
1165 1 104 LEU HA 1 107 ILE MD 6.000 . 6.000 2.030 1.944 2.196 . 0 0 "[ . 1 . 2]" 1
1166 1 48 LEU MD2 1 104 LEU QB 6.720 . 6.720 2.064 1.650 3.128 0.150 10 0 "[ . 1 . 2]" 1
1167 1 104 LEU HA 1 104 LEU MD1 3.360 . 3.360 2.287 2.175 2.642 . 0 0 "[ . 1 . 2]" 1
1168 1 104 LEU MD1 1 107 ILE HB 6.000 . 6.000 4.616 2.830 4.999 . 0 0 "[ . 1 . 2]" 1
1169 1 27 LEU MD1 1 104 LEU MD2 4.032 . 4.032 2.125 1.862 2.619 . 0 0 "[ . 1 . 2]" 1
1170 1 27 LEU MD2 1 104 LEU MD2 4.896 . 4.896 3.400 3.397 3.406 . 0 0 "[ . 1 . 2]" 1
1171 1 62 LEU MD1 1 104 LEU MD2 4.032 . 4.032 2.420 1.767 2.799 0.033 1 0 "[ . 1 . 2]" 1
1172 1 62 LEU MD2 1 104 LEU MD2 4.032 . 4.032 2.149 1.822 2.519 . 0 0 "[ . 1 . 2]" 1
1173 1 105 GLN HA 1 108 ILE HB 5.000 . 5.000 2.266 2.122 2.380 . 0 0 "[ . 1 . 2]" 1
1174 1 105 GLN HA 1 108 ILE MD 4.080 . 4.080 2.724 1.939 3.448 . 0 0 "[ . 1 . 2]" 1
1175 1 105 GLN HA 1 108 ILE MG 4.080 . 4.080 3.465 3.450 3.474 . 0 0 "[ . 1 . 2]" 1
1176 1 48 LEU MD2 1 105 GLN QB 4.570 . 4.570 3.106 2.042 3.398 . 0 0 "[ . 1 . 2]" 1
1177 1 102 MET HA 1 105 GLN QB 5.600 . 5.600 3.669 2.347 4.299 . 0 0 "[ . 1 . 2]" 1
1178 1 105 GLN HA 1 105 GLN QG 3.808 . 3.808 2.960 2.185 3.341 . 0 0 "[ . 1 . 2]" 1
1179 1 103 THR HA 1 106 GLN QB 5.600 . 5.600 2.492 2.123 3.374 . 0 0 "[ . 1 . 2]" 1
1180 1 103 THR HA 1 106 GLN QG 5.600 . 5.600 3.067 1.884 3.927 . 0 0 "[ . 1 . 2]" 1
1181 1 106 GLN HA 1 106 GLN QG 3.808 . 3.808 2.634 2.109 3.123 . 0 0 "[ . 1 . 2]" 1
1182 1 107 ILE HA 1 110 ARG QG 5.600 . 5.600 2.841 1.940 4.049 . 0 0 "[ . 1 . 2]" 1
1183 1 25 ALA MB 1 107 ILE MG 4.032 . 4.032 1.778 1.683 1.973 0.117 11 0 "[ . 1 . 2]" 1
1184 1 42 LEU HA 1 107 ILE MG 6.000 . 6.000 4.066 3.995 4.317 . 0 0 "[ . 1 . 2]" 1
1185 1 104 LEU HA 1 107 ILE MG 6.000 . 6.000 4.596 4.400 4.719 . 0 0 "[ . 1 . 2]" 1
1186 1 107 ILE HA 1 107 ILE MG 3.360 . 3.360 2.448 2.409 2.486 . 0 0 "[ . 1 . 2]" 1
1187 1 107 ILE MG 1 108 ILE HA 6.000 . 6.000 3.439 3.392 3.492 . 0 0 "[ . 1 . 2]" 1
1188 1 107 ILE MG 1 111 TYR QD 6.720 . 6.720 4.056 3.652 4.426 . 0 0 "[ . 1 . 2]" 1
1189 1 107 ILE MG 1 111 TYR QE 3.763 . 3.763 2.400 1.968 2.794 . 0 0 "[ . 1 . 2]" 1
1190 1 45 ILE HB 1 108 ILE MD 6.000 . 6.000 3.486 2.577 4.483 . 0 0 "[ . 1 . 2]" 1
1191 1 48 LEU HA 1 108 ILE MD 6.000 . 6.000 4.054 3.359 4.803 . 0 0 "[ . 1 . 2]" 1
1192 1 48 LEU MD1 1 108 ILE MD 4.032 . 4.032 2.198 1.692 2.803 0.108 17 0 "[ . 1 . 2]" 1
1193 1 48 LEU HG 1 108 ILE MD 6.000 . 6.000 3.881 1.827 4.621 . 0 0 "[ . 1 . 2]" 1
1194 1 104 LEU QB 1 108 ILE MD 6.720 . 6.720 3.024 2.578 3.882 . 0 0 "[ . 1 . 2]" 1
1195 1 45 ILE HB 1 108 ILE MG 6.000 . 6.000 4.351 3.467 5.002 . 0 0 "[ . 1 . 2]" 1
1196 1 47 LYS HA 1 108 ILE MG 6.000 . 6.000 3.423 2.878 4.469 . 0 0 "[ . 1 . 2]" 1
1197 1 108 ILE MG 1 109 SER HA 6.000 . 6.000 3.441 3.324 3.592 . 0 0 "[ . 1 . 2]" 1
1198 1 108 ILE MG 1 109 SER QB 6.720 . 6.720 4.434 3.943 4.759 . 0 0 "[ . 1 . 2]" 1
1199 1 109 SER HA 1 112 LYS QB 3.808 . 3.808 2.243 1.961 2.700 . 0 0 "[ . 1 . 2]" 1
1200 1 109 SER HA 1 112 LYS QD 5.600 . 5.600 3.482 2.452 4.386 . 0 0 "[ . 1 . 2]" 1
1201 1 109 SER HA 1 112 LYS QG 5.600 . 5.600 3.283 1.940 4.163 . 0 0 "[ . 1 . 2]" 1
1202 1 109 SER QB 1 110 ARG QB 6.272 . 6.272 4.595 4.246 4.860 . 0 0 "[ . 1 . 2]" 1
1203 1 109 SER QB 1 112 LYS QB 6.272 . 6.272 3.719 3.222 4.229 . 0 0 "[ . 1 . 2]" 1
1204 1 110 ARG HA 1 110 ARG QG 3.808 . 3.808 2.641 2.240 3.185 . 0 0 "[ . 1 . 2]" 1
1205 1 25 ALA MB 1 110 ARG QD 3.763 . 3.763 2.801 2.794 2.809 . 0 0 "[ . 1 . 2]" 1
1206 1 107 ILE HA 1 110 ARG QD 5.600 . 5.600 2.381 1.996 3.079 . 0 0 "[ . 1 . 2]" 1
1207 1 107 ILE MG 1 110 ARG QD 6.720 . 6.720 2.223 1.939 2.845 . 0 0 "[ . 1 . 2]" 1
1208 1 110 ARG QD 1 111 TYR QE 6.272 . 6.272 3.541 2.155 4.194 . 0 0 "[ . 1 . 2]" 1
1209 1 111 TYR HA 1 111 TYR QE 5.600 . 5.600 4.801 4.606 4.980 . 0 0 "[ . 1 . 2]" 1
1210 1 111 TYR HA 1 114 ALA MB 6.000 . 6.000 2.485 2.038 3.274 . 0 0 "[ . 1 . 2]" 1
1211 1 108 ILE HA 1 111 TYR QD 5.600 . 5.600 2.493 2.249 2.874 . 0 0 "[ . 1 . 2]" 1
1212 1 111 TYR HA 1 111 TYR QD 3.808 . 3.808 2.695 2.425 2.922 . 0 0 "[ . 1 . 2]" 1
1213 1 112 LYS HA 1 112 LYS QG 3.808 . 3.808 2.457 2.136 3.145 . 0 0 "[ . 1 . 2]" 1
1214 1 112 LYS HA 1 115 ASP QB 3.808 . 3.808 3.103 2.524 3.393 . 0 0 "[ . 1 . 2]" 1
1215 1 112 LYS HA 1 112 LYS QE 5.600 . 5.600 4.047 2.075 4.753 . 0 0 "[ . 1 . 2]" 1
1216 1 108 ILE MG 1 112 LYS QG 6.720 . 6.720 4.184 2.115 4.989 . 0 0 "[ . 1 . 2]" 1
1217 1 111 TYR QD 1 114 ALA MB 6.720 . 6.720 4.240 3.793 4.800 . 0 0 "[ . 1 . 2]" 1
1218 1 114 ALA MB 1 115 ASP HA 6.000 . 6.000 3.810 3.672 3.903 . 0 0 "[ . 1 . 2]" 1
1219 1 24 PRO HA 1 25 ALA H 3.000 . 3.000 2.544 2.198 3.213 0.213 2 0 "[ . 1 . 2]" 1
1220 1 24 PRO QB 1 25 ALA H 4.000 . 4.000 3.634 3.609 3.675 . 0 0 "[ . 1 . 2]" 1
1221 1 50 ALA MB 1 51 THR H 3.600 2.040 3.600 2.960 2.624 3.014 . 0 0 "[ . 1 . 2]" 1
1222 1 51 THR H 1 51 THR MG 4.400 2.120 4.400 2.619 2.193 2.872 . 0 0 "[ . 1 . 2]" 1
1223 1 55 SER H 1 57 LYS H 6.000 2.800 6.000 5.321 5.142 5.604 . 0 0 "[ . 1 . 2]" 1
1224 1 49 GLN QB 1 61 ARG H 4.000 . 4.000 2.263 1.946 3.475 0.046 9 0 "[ . 1 . 2]" 1
1225 1 74 ASP HA 1 75 ASN H 3.000 . 3.000 2.946 2.639 3.034 0.034 7 0 "[ . 1 . 2]" 1
1226 1 108 ILE H 1 108 ILE QG 3.400 2.064 3.400 1.881 1.834 1.954 0.230 6 0 "[ . 1 . 2]" 1
1227 1 108 ILE QG 1 109 SER H 4.000 . 4.000 3.633 3.622 3.650 . 0 0 "[ . 1 . 2]" 1
1228 1 110 ARG H 1 110 ARG QG 4.000 . 4.000 2.704 1.969 3.593 0.023 3 0 "[ . 1 . 2]" 1
1229 1 110 ARG QB 1 111 TYR H 3.400 2.064 3.400 2.900 2.545 3.097 . 0 0 "[ . 1 . 2]" 1
1230 1 109 SER HA 1 112 LYS H 3.600 . 3.600 3.020 2.740 3.604 0.004 18 0 "[ . 1 . 2]" 1
1231 1 112 LYS QB 1 113 ASP H 3.400 2.064 3.400 2.107 1.949 2.507 0.115 8 0 "[ . 1 . 2]" 1
1232 1 112 LYS QG 1 113 ASP H 4.000 . 4.000 3.566 3.559 3.575 . 0 0 "[ . 1 . 2]" 1
1233 1 24 PRO QB 1 111 TYR QE 6.500 2.028 6.500 3.515 2.709 4.103 . 0 0 "[ . 1 . 2]" 1
1234 1 42 LEU MD1 1 111 TYR QE 5.000 2.230 5.000 3.717 3.712 3.727 . 0 0 "[ . 1 . 2]" 1
1235 1 43 SER HA 1 111 TYR QB 6.000 2.200 6.000 3.957 3.609 4.388 . 0 0 "[ . 1 . 2]" 1
1236 1 50 ALA HA 1 60 LEU HA 5.400 2.200 5.400 2.268 2.187 2.527 0.013 17 0 "[ . 1 . 2]" 1
1237 1 66 VAL HA 1 67 ASP HA 5.400 2.200 5.400 4.834 4.588 5.135 . 0 0 "[ . 1 . 2]" 1
1238 1 108 ILE HA 1 108 ILE MG 3.600 2.040 3.600 2.382 2.361 2.410 . 0 0 "[ . 1 . 2]" 1
1239 1 108 ILE HA 1 111 TYR QB 6.000 2.200 6.000 4.376 4.142 4.707 . 0 0 "[ . 1 . 2]" 1
1240 1 108 ILE HA 1 111 TYR QE 6.000 2.200 6.000 2.430 1.974 3.159 0.226 13 0 "[ . 1 . 2]" 1
1241 1 107 ILE HA 1 110 ARG QB 6.000 2.200 6.000 2.862 1.959 3.549 0.241 1 0 "[ . 1 . 2]" 1
1242 1 108 ILE MG 1 112 LYS QE 5.000 2.230 5.000 3.389 1.952 3.711 0.278 15 0 "[ . 1 . 2]" 1
1243 1 110 ARG HA 1 113 ASP QB 6.000 2.200 6.000 3.988 3.175 4.537 . 0 0 "[ . 1 . 2]" 1
1244 1 74 ASP HA 1 76 GLU H 5.000 . 5.000 4.247 4.196 4.476 . 0 0 "[ . 1 . 2]" 1
1245 1 75 ASN H 1 76 GLU H 3.400 . 3.400 2.748 2.644 3.425 0.025 12 0 "[ . 1 . 2]" 1
1246 1 66 VAL H 1 66 VAL QG 4.080 . 4.080 2.290 2.047 3.003 . 0 0 "[ . 1 . 2]" 1
1247 1 66 VAL QG 1 67 ASP H 5.000 . 5.000 1.936 1.614 3.331 0.186 16 0 "[ . 1 . 2]" 1
1248 1 66 VAL QG 1 83 LYS HA 6.000 . 6.000 3.842 3.054 4.453 . 0 0 "[ . 1 . 2]" 1
1249 1 66 VAL QG 1 84 PRO HA . . 4.080 2.654 1.750 3.033 0.050 3 0 "[ . 1 . 2]" 1
1250 1 66 VAL QG 1 84 PRO QD 6.720 . 6.720 3.092 2.598 3.798 . 0 0 "[ . 1 . 2]" 1
1251 1 66 VAL QG 1 68 GLU HA 6.000 . 6.000 3.965 2.319 4.471 . 0 0 "[ . 1 . 2]" 1
1252 1 66 VAL QG 1 84 PRO QB 4.570 . 4.570 2.787 2.470 3.022 . 0 0 "[ . 1 . 2]" 1
1253 1 66 VAL HA 1 84 PRO HA 3.400 . 3.400 3.395 3.190 3.445 0.045 3 0 "[ . 1 . 2]" 1
1254 1 66 VAL HA 1 84 PRO QB 5.600 . 5.600 3.679 3.052 4.344 . 0 0 "[ . 1 . 2]" 1
1255 1 66 VAL HA 1 67 ASP H 2.800 . 2.800 3.161 3.133 3.216 0.416 8 0 "[ . 1 . 2]" 1
1256 1 48 LEU HA 2 25 VAL QG 6.000 . 6.000 4.083 3.649 4.464 . 0 0 "[ . 1 . 2]" 1
1257 1 48 LEU QB 2 25 VAL QG 6.000 . 6.000 2.389 1.825 3.752 . 0 0 "[ . 1 . 2]" 1
1258 1 48 LEU HG 2 25 VAL QG 6.000 . 6.000 3.419 2.141 4.452 . 0 0 "[ . 1 . 2]" 1
1259 1 48 LEU QD 2 25 VAL QG 6.000 . 6.000 2.102 1.492 2.945 0.308 12 0 "[ . 1 . 2]" 1
1260 1 47 LYS HA 2 26 THR MG 6.000 . 6.000 3.962 2.483 5.006 . 0 0 "[ . 1 . 2]" 1
1261 1 112 LYS QE 2 26 THR MG 6.000 . 6.000 3.303 2.492 4.451 . 0 0 "[ . 1 . 2]" 1
1262 1 112 LYS QD 2 26 THR MG 6.000 . 6.000 4.035 2.644 4.453 . 0 0 "[ . 1 . 2]" 1
1263 1 88 MET ME 2 22 PHE QD 6.000 . 6.000 3.299 2.867 4.323 . 0 0 "[ . 1 . 2]" 1
1264 1 59 MET ME 2 22 PHE HZ 6.000 . 6.000 3.289 1.929 4.798 . 0 0 "[ . 1 . 2]" 1
1265 1 59 MET ME 2 22 PHE QE 6.000 . 6.000 2.220 1.865 3.160 . 0 0 "[ . 1 . 2]" 1
1266 1 88 MET ME 2 22 PHE QE 6.000 . 6.000 2.605 1.893 4.318 . 0 0 "[ . 1 . 2]" 1
1267 1 88 MET ME 2 22 PHE HZ 6.000 . 6.000 3.804 2.012 4.997 . 0 0 "[ . 1 . 2]" 1
1268 1 51 THR MG 2 22 PHE HZ 6.000 . 6.000 3.695 1.877 4.997 . 0 0 "[ . 1 . 2]" 1
1269 1 59 MET QB 2 22 PHE HZ 6.000 . 6.000 3.400 2.067 4.900 . 0 0 "[ . 1 . 2]" 1
1270 1 59 MET QG 2 22 PHE HZ 6.000 . 6.000 4.760 3.155 5.348 . 0 0 "[ . 1 . 2]" 1
1271 1 59 MET ME 2 22 PHE QB 6.000 . 6.000 4.446 4.273 4.460 . 0 0 "[ . 1 . 2]" 1
1272 1 88 MET ME 2 22 PHE QB 6.000 . 6.000 4.430 4.290 4.458 . 0 0 "[ . 1 . 2]" 1
1273 1 50 ALA HA 2 25 VAL QG 6.000 . 6.000 4.351 3.828 4.461 . 0 0 "[ . 1 . 2]" 1
1274 1 50 ALA MB 2 25 VAL QG 6.000 . 6.000 2.591 2.264 3.044 . 0 0 "[ . 1 . 2]" 1
1275 1 105 GLN HA 2 25 VAL QG 6.000 . 6.000 4.393 3.993 4.464 . 0 0 "[ . 1 . 2]" 1
1276 1 105 GLN QB 2 25 VAL QG 6.000 . 6.000 3.024 2.504 3.966 . 0 0 "[ . 1 . 2]" 1
1277 1 105 GLN QG 2 25 VAL QG 6.000 . 6.000 3.413 2.131 3.975 . 0 0 "[ . 1 . 2]" 1
1278 1 108 ILE QG 2 26 THR MG 6.000 . 6.000 2.952 2.054 3.822 . 0 0 "[ . 1 . 2]" 1
1279 1 108 ILE MD 2 26 THR MG 6.000 . 6.000 4.007 3.303 4.164 . 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 36
_Distance_constraint_stats_list.Viol_count 14
_Distance_constraint_stats_list.Viol_total 1.168
_Distance_constraint_stats_list.Viol_max 0.009
_Distance_constraint_stats_list.Viol_rms 0.0007
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0042
_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 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ILE 0.050 0.009 1 0 "[ . 1 . 2]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ASN 0.008 0.003 10 0 "[ . 1 . 2]"
1 26 GLU 0.008 0.003 10 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLN 0.001 0.001 18 0 "[ . 1 . 2]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ARG 0.001 0.001 18 0 "[ . 1 . 2]"
1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 SER 0.050 0.009 1 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 8 ILE H 1 90 SER O 2.000 . 2.500 2.276 1.714 2.508 0.008 20 0 "[ . 1 . 2]" 2
2 1 8 ILE N 1 90 SER O 3.000 2.300 3.500 3.037 2.571 3.253 . 0 0 "[ . 1 . 2]" 2
3 1 15 ILE H 1 30 ARG O 2.000 . 2.500 1.935 1.818 2.021 . 0 0 "[ . 1 . 2]" 2
4 1 15 ILE N 1 30 ARG O 3.000 2.300 3.500 2.525 2.483 2.548 . 0 0 "[ . 1 . 2]" 2
5 1 5 GLY O 1 16 ILE H 2.000 . 2.500 1.645 1.616 1.787 . 0 0 "[ . 1 . 2]" 2
6 1 5 GLY O 1 16 ILE N 3.000 2.300 3.500 2.522 2.507 2.554 . 0 0 "[ . 1 . 2]" 2
7 1 17 ALA H 1 28 THR O 2.000 . 2.500 2.071 1.944 2.180 . 0 0 "[ . 1 . 2]" 2
8 1 17 ALA N 1 28 THR O 3.000 2.300 3.500 2.958 2.856 3.044 . 0 0 "[ . 1 . 2]" 2
9 1 19 ASN O 1 26 GLU H 2.000 . 2.500 2.361 2.038 2.503 0.003 10 0 "[ . 1 . 2]" 2
10 1 19 ASN O 1 26 GLU N 3.000 2.300 3.500 3.271 2.996 3.397 . 0 0 "[ . 1 . 2]" 2
11 1 27 LEU H 1 40 VAL O 2.000 . 2.500 1.449 1.399 1.538 . 0 0 "[ . 1 . 2]" 2
12 1 27 LEU N 1 40 VAL O 3.000 2.300 3.500 2.375 2.331 2.419 . 0 0 "[ . 1 . 2]" 2
13 1 17 ALA O 1 28 THR H 2.000 . 2.500 1.730 1.679 1.818 . 0 0 "[ . 1 . 2]" 2
14 1 17 ALA O 1 28 THR N 3.000 2.300 3.500 2.620 2.552 2.731 . 0 0 "[ . 1 . 2]" 2
15 1 29 TRP H 1 38 HIS O 2.000 . 2.500 1.664 1.630 1.787 . 0 0 "[ . 1 . 2]" 2
16 1 29 TRP N 1 38 HIS O 3.000 2.300 3.500 2.561 2.532 2.676 . 0 0 "[ . 1 . 2]" 2
17 1 15 ILE O 1 30 ARG H 2.000 . 2.500 1.587 1.571 1.600 . 0 0 "[ . 1 . 2]" 2
18 1 15 ILE O 1 30 ARG N 3.000 2.300 3.500 2.494 2.480 2.514 . 0 0 "[ . 1 . 2]" 2
19 1 29 TRP O 1 38 HIS H 2.000 . 2.500 2.011 1.931 2.105 . 0 0 "[ . 1 . 2]" 2
20 1 29 TRP O 1 38 HIS N 3.000 2.300 3.500 2.841 2.787 2.873 . 0 0 "[ . 1 . 2]" 2
21 1 27 LEU O 1 40 VAL H 2.000 . 2.500 1.716 1.601 1.830 . 0 0 "[ . 1 . 2]" 2
22 1 27 LEU O 1 40 VAL N 3.000 2.300 3.500 2.571 2.497 2.635 . 0 0 "[ . 1 . 2]" 2
23 1 49 GLN H 1 61 ARG O 2.000 . 2.500 1.992 1.638 2.180 . 0 0 "[ . 1 . 2]" 2
24 1 49 GLN N 1 61 ARG O 3.000 2.300 3.500 2.693 2.492 2.880 . 0 0 "[ . 1 . 2]" 2
25 1 60 LEU H 1 89 PHE O 2.000 . 2.500 1.892 1.700 2.450 . 0 0 "[ . 1 . 2]" 2
26 1 60 LEU N 1 89 PHE O 3.000 2.300 3.500 2.670 2.565 3.096 . 0 0 "[ . 1 . 2]" 2
27 1 49 GLN O 1 61 ARG H 2.000 . 2.500 2.021 1.609 2.501 0.001 18 0 "[ . 1 . 2]" 2
28 1 49 GLN O 1 61 ARG N 3.000 2.300 3.500 2.880 2.520 3.399 . 0 0 "[ . 1 . 2]" 2
29 1 62 LEU H 1 87 HIS O 2.000 . 2.500 2.105 1.795 2.500 . 0 0 "[ . 1 . 2]" 2
30 1 62 LEU N 1 87 HIS O 3.000 2.300 3.500 2.973 2.637 3.364 . 0 0 "[ . 1 . 2]" 2
31 1 47 LYS O 1 63 ILE H 2.000 . 2.500 1.929 1.688 2.095 . 0 0 "[ . 1 . 2]" 2
32 1 47 LYS O 1 63 ILE N 3.000 2.300 3.500 2.838 2.578 3.010 . 0 0 "[ . 1 . 2]" 2
33 1 60 LEU O 1 89 PHE H 2.000 . 2.500 1.898 1.673 2.074 . 0 0 "[ . 1 . 2]" 2
34 1 60 LEU O 1 89 PHE N 3.000 2.300 3.500 2.738 2.566 2.869 . 0 0 "[ . 1 . 2]" 2
35 1 8 ILE O 1 90 SER H 2.000 . 2.500 2.279 1.684 2.509 0.009 1 0 "[ . 1 . 2]" 2
36 1 8 ILE O 1 90 SER N 3.000 2.300 3.500 3.200 2.633 3.456 . 0 0 "[ . 1 . 2]" 2
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