NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
651591 |
7jgi   |
30774 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_7jgi
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 1349
_Distance_constraint_stats_list.Viol_count 2700
_Distance_constraint_stats_list.Viol_total 3845.031
_Distance_constraint_stats_list.Viol_max 0.936
_Distance_constraint_stats_list.Viol_rms 0.0769
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0285
_Distance_constraint_stats_list.Viol_average_violations_only 0.1424
_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 MET 3.284 0.642 9 1 "[ . +1]"
1 2 ASP 7.350 0.640 9 2 "[- . +1]"
1 3 ASP 10.671 0.559 8 1 "[ . + 1]"
1 4 ILE 7.513 0.291 9 0 "[ . 1]"
1 5 TYR 13.785 0.640 9 2 "[* . +1]"
1 6 LYS 11.718 0.559 8 1 "[ . + 1]"
1 7 ALA 12.229 0.436 1 0 "[ . 1]"
1 8 ALA 12.896 0.513 9 1 "[ . +1]"
1 9 VAL 9.490 0.316 8 0 "[ . 1]"
1 10 GLU 11.727 0.436 1 0 "[ . 1]"
1 11 GLN 6.189 0.436 1 0 "[ . 1]"
1 12 LEU 12.751 0.797 6 4 "[ *-+ *]"
1 13 THR 1.391 0.171 2 0 "[ . 1]"
1 14 GLU 2.169 0.177 8 0 "[ . 1]"
1 15 GLU 4.900 0.377 8 0 "[ . 1]"
1 16 GLN 9.398 0.797 6 4 "[ *-+ *]"
1 17 LYS 5.242 0.256 1 0 "[ . 1]"
1 18 ASN 4.552 0.250 6 0 "[ . 1]"
1 19 GLU 11.147 0.780 4 3 "[ +- *]"
1 20 PHE 5.772 0.258 7 0 "[ . 1]"
1 21 LYS 4.180 0.250 6 0 "[ . 1]"
1 22 ALA 1.960 0.240 6 0 "[ . 1]"
1 23 ALA 0.303 0.080 5 0 "[ . 1]"
1 24 PHE 9.819 0.407 7 0 "[ . 1]"
1 25 ASP 4.131 0.218 8 0 "[ . 1]"
1 26 ILE 6.757 0.243 5 0 "[ . 1]"
1 27 PHE 15.017 0.456 2 0 "[ . 1]"
1 28 VAL 6.365 0.365 8 0 "[ . 1]"
1 29 LEU 4.605 0.243 5 0 "[ . 1]"
1 30 GLY 0.167 0.028 1 0 "[ . 1]"
1 31 ALA 3.408 0.247 6 0 "[ . 1]"
1 32 GLU 0.975 0.151 5 0 "[ . 1]"
1 33 ASP 0.200 0.147 7 0 "[ . 1]"
1 34 GLY 0.000 0.000 . 0 "[ . 1]"
1 35 SER 5.346 0.358 4 0 "[ . 1]"
1 36 ILE 10.022 0.405 6 0 "[ . 1]"
1 37 SER 1.671 0.331 5 0 "[ . 1]"
1 38 THR 10.970 0.594 8 1 "[ . + 1]"
1 39 LYS 1.844 0.365 8 0 "[ . 1]"
1 40 GLU 4.693 0.297 1 0 "[ . 1]"
1 41 LEU 7.913 0.403 1 0 "[ . 1]"
1 42 GLY 4.758 0.365 10 0 "[ . 1]"
1 43 LYS 5.182 0.297 1 0 "[ . 1]"
1 44 VAL 19.069 0.471 8 0 "[ . 1]"
1 45 MET 14.565 0.511 4 1 "[ +. 1]"
1 46 ARG 0.264 0.109 3 0 "[ . 1]"
1 47 MET 11.211 0.471 8 0 "[ . 1]"
1 48 LEU 11.376 0.321 9 0 "[ . 1]"
1 49 GLY 0.000 0.000 . 0 "[ . 1]"
1 50 GLN 17.107 0.586 6 5 "[ -*+ **1]"
1 51 ASN 9.436 0.563 8 4 "[ -* +*1]"
1 52 PRO 14.949 0.586 6 1 "[ .+ 1]"
1 53 THR 3.059 0.225 4 0 "[ . 1]"
1 54 PRO 9.453 0.362 6 0 "[ . 1]"
1 55 GLU 1.856 0.425 7 0 "[ . 1]"
1 56 GLU 1.308 0.369 2 0 "[ . 1]"
1 57 LEU 36.763 0.594 8 2 "[ .- + 1]"
1 58 GLN 4.506 0.369 8 0 "[ . 1]"
1 59 GLU 1.276 0.365 8 0 "[ . 1]"
1 60 MET 5.304 0.295 4 0 "[ . 1]"
1 61 ILE 21.682 0.594 8 1 "[ . + 1]"
1 62 ASP 5.314 0.447 9 0 "[ . 1]"
1 63 GLU 3.766 0.357 4 0 "[ . 1]"
1 64 VAL 12.031 0.357 4 0 "[ . 1]"
1 65 ASP 1.891 0.315 10 0 "[ . 1]"
1 66 GLU 3.948 0.305 6 0 "[ . 1]"
1 67 ASP 0.434 0.104 10 0 "[ . 1]"
1 68 GLY 2.619 0.363 1 0 "[ . 1]"
1 69 SER 4.376 0.363 1 0 "[ . 1]"
1 70 GLY 0.807 0.187 6 0 "[ . 1]"
1 71 THR 7.114 0.363 1 0 "[ . 1]"
1 72 VAL 6.413 0.316 4 0 "[ . 1]"
1 73 ASP 3.518 0.358 4 0 "[ . 1]"
1 74 PHE 13.355 0.609 2 3 "[ +* - 1]"
1 75 ASP 2.968 0.208 9 0 "[ . 1]"
1 76 GLU 4.389 0.299 9 0 "[ . 1]"
1 77 PHE 6.464 0.407 7 0 "[ . 1]"
1 78 LEU 23.217 0.609 2 3 "[ +* - 1]"
1 79 VAL 15.591 0.642 9 1 "[ . +1]"
1 80 MET 8.696 0.584 9 2 "[ . +-]"
1 81 MET 11.693 0.396 2 0 "[ . 1]"
1 82 VAL 17.568 0.524 10 2 "[ - . +]"
1 83 ARG 8.961 0.436 5 0 "[ . 1]"
1 84 SER 0.989 0.217 4 0 "[ . 1]"
1 85 MET 13.868 0.524 10 2 "[ - . +]"
1 87 ASP 0.277 0.217 4 0 "[ . 1]"
1 88 ASP 1.399 0.283 8 0 "[ . 1]"
1 89 SER 0.277 0.217 4 0 "[ . 1]"
1 90 LYS 3.356 0.283 8 0 "[ . 1]"
1 91 GLY 0.259 0.144 5 0 "[ . 1]"
1 92 LYS 0.130 0.120 1 0 "[ . 1]"
1 93 PHE 0.000 0.000 . 0 "[ . 1]"
1 94 LYS 2.700 0.444 6 0 "[ . 1]"
1 95 ARG 6.497 0.838 6 1 "[ .+ 1]"
1 96 PRO 8.225 0.452 6 0 "[ . 1]"
1 97 THR 3.977 0.838 6 1 "[ .+ 1]"
1 98 LEU 1.714 0.363 7 0 "[ . 1]"
1 100 ARG 2.044 0.838 6 1 "[ .+ 1]"
1 101 VAL 1.873 0.374 5 0 "[ . 1]"
1 102 ARG 4.536 0.838 6 1 "[ .+ 1]"
1 103 ILE 5.509 0.314 9 0 "[ . 1]"
1 104 SER 0.505 0.129 2 0 "[ . 1]"
1 105 ALA 5.008 0.270 8 0 "[ . 1]"
1 106 ASP 2.742 0.308 8 0 "[ . 1]"
1 107 ALA 7.587 0.385 2 0 "[ . 1]"
1 108 MET 9.731 0.385 2 0 "[ . 1]"
1 109 MET 12.920 0.427 5 0 "[ . 1]"
1 110 GLN 6.283 0.341 7 0 "[ . 1]"
1 111 ALA 2.700 0.385 2 0 "[ . 1]"
1 112 LEU 17.643 0.427 5 0 "[ . 1]"
1 113 LEU 7.059 0.304 9 0 "[ . 1]"
1 114 GLY 1.393 0.223 7 0 "[ . 1]"
1 115 ALA 1.393 0.223 7 0 "[ . 1]"
1 116 ARG 5.392 0.936 5 2 "[ - + 1]"
1 117 ALA 0.000 0.000 . 0 "[ . 1]"
1 118 LYS 0.124 0.107 5 0 "[ . 1]"
1 119 GLY 0.124 0.107 5 0 "[ . 1]"
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 MET HA 1 1 MET QB 2.294 . 2.952 2.445 2.191 2.546 . 0 0 "[ . 1]" 1
2 1 1 MET HA 1 1 MET HG2 2.703 . 3.616 2.764 1.935 3.838 0.222 4 0 "[ . 1]" 1
3 1 1 MET HA 1 1 MET HG3 2.815 . 3.805 2.824 2.362 3.527 . 0 0 "[ . 1]" 1
4 1 1 MET HA 1 79 VAL MG1 2.974 . 4.080 3.884 3.078 4.245 0.165 6 0 "[ . 1]" 1
5 1 1 MET HA 1 79 VAL MG2 3.731 . 5.471 4.818 3.649 5.463 . 0 0 "[ . 1]" 1
6 1 1 MET QB 1 1 MET HG2 2.469 . 3.231 2.121 1.944 2.445 . 0 0 "[ . 1]" 1
7 1 1 MET QB 1 1 MET HG3 2.404 . 3.126 2.175 1.812 2.423 . 0 0 "[ . 1]" 1
8 1 1 MET QB 1 1 MET HG2 2.283 . 2.934 2.342 2.178 2.540 . 0 0 "[ . 1]" 1
9 1 1 MET QB 1 6 LYS QB 3.229 . 4.532 4.218 3.545 4.568 0.036 10 0 "[ . 1]" 1
10 1 1 MET QB 1 6 LYS QE 3.644 . 5.304 4.456 3.649 5.239 . 0 0 "[ . 1]" 1
11 1 1 MET QB 1 79 VAL MG2 3.754 . 5.515 3.684 2.386 4.953 . 0 0 "[ . 1]" 1
12 1 1 MET ME 1 1 MET QG 2.289 . 2.944 2.133 1.884 2.323 . 0 0 "[ . 1]" 1
13 1 1 MET ME 1 5 TYR HB2 3.264 . 4.596 4.572 4.451 4.672 0.076 9 0 "[ . 1]" 1
14 1 1 MET ME 1 6 LYS QD 3.612 . 5.243 2.806 2.127 3.610 . 0 0 "[ . 1]" 1
15 1 1 MET ME 1 6 LYS QE 2.854 . 3.872 2.522 1.789 3.616 0.047 10 0 "[ . 1]" 1
16 1 1 MET ME 1 75 ASP HB2 2.736 . 3.671 3.345 2.026 3.758 0.087 3 0 "[ . 1]" 1
17 1 1 MET ME 1 75 ASP HB3 3.464 . 4.964 3.014 2.492 3.847 . 0 0 "[ . 1]" 1
18 1 1 MET ME 1 76 GLU HA 2.647 . 3.523 2.512 1.859 3.069 . 0 0 "[ . 1]" 1
19 1 1 MET ME 1 76 GLU HG2 2.724 . 3.652 3.228 2.799 3.930 0.278 7 0 "[ . 1]" 1
20 1 1 MET ME 1 76 GLU HG3 3.084 . 4.273 3.510 3.291 3.682 . 0 0 "[ . 1]" 1
21 1 1 MET ME 1 79 VAL HA 4.163 . 6.329 4.659 4.476 4.931 . 0 0 "[ . 1]" 1
22 1 1 MET ME 1 79 VAL MG1 3.019 . 4.158 3.285 2.864 3.688 . 0 0 "[ . 1]" 1
23 1 1 MET ME 1 79 VAL MG2 2.445 . 3.192 1.846 1.703 2.072 . 0 0 "[ . 1]" 1
24 1 1 MET HG2 1 79 VAL MG2 3.791 . 5.587 4.059 3.457 4.755 . 0 0 "[ . 1]" 1
25 1 1 MET HG3 1 79 VAL MG2 3.352 . 4.757 4.630 3.598 5.399 0.642 9 1 "[ . +1]" 1
26 1 2 ASP HA 1 2 ASP HB2 2.095 . 2.644 2.953 2.805 3.025 0.381 1 0 "[ . 1]" 1
27 1 2 ASP QB 1 79 VAL MG2 2.774 . 3.736 3.738 3.537 3.870 0.134 8 0 "[ . 1]" 1
28 1 2 ASP HB2 1 4 ILE HA 3.193 . 4.468 4.381 4.273 4.611 0.143 5 0 "[ . 1]" 1
29 1 2 ASP HB2 1 4 ILE MG 2.918 . 3.982 3.672 3.329 4.077 0.095 8 0 "[ . 1]" 1
30 1 2 ASP HB2 1 5 TYR HA 4.056 . 6.113 5.504 5.017 5.955 . 0 0 "[ . 1]" 1
31 1 2 ASP HB2 1 5 TYR HD1 3.056 . 4.223 2.479 2.261 2.700 . 0 0 "[ . 1]" 1
32 1 2 ASP HB2 1 79 VAL MG2 2.943 . 4.026 3.817 3.596 4.154 0.128 8 0 "[ . 1]" 1
33 1 2 ASP HB3 1 4 ILE MG 3.388 . 4.823 2.276 1.962 2.942 . 0 0 "[ . 1]" 1
34 1 2 ASP HB3 1 5 TYR HB2 2.430 . 3.168 2.678 1.858 3.302 0.134 1 0 "[ . 1]" 1
35 1 2 ASP HB3 1 5 TYR HB3 3.357 . 4.766 4.256 3.514 4.881 0.115 1 0 "[ . 1]" 1
36 1 2 ASP HB3 1 5 TYR HD1 3.092 . 4.287 3.040 2.464 3.679 . 0 0 "[ . 1]" 1
37 1 2 ASP HB3 1 5 TYR HE1 2.920 . 3.986 4.290 3.965 4.626 0.640 9 2 "[- . +1]" 1
38 1 3 ASP HA 1 3 ASP HB2 2.164 . 2.749 2.993 2.985 3.004 0.255 10 0 "[ . 1]" 1
39 1 3 ASP HA 1 3 ASP HB3 2.156 . 2.737 2.465 2.372 2.520 . 0 0 "[ . 1]" 1
40 1 3 ASP HA 1 4 ILE HA 3.945 . 5.890 4.849 4.808 4.895 . 0 0 "[ . 1]" 1
41 1 3 ASP HA 1 4 ILE MG 3.849 . 5.701 4.748 4.722 4.772 . 0 0 "[ . 1]" 1
42 1 3 ASP HA 1 6 LYS HA 4.021 . 6.042 4.621 4.545 4.782 . 0 0 "[ . 1]" 1
43 1 3 ASP HA 1 6 LYS QB 2.423 . 3.157 1.977 1.830 2.154 . 0 0 "[ . 1]" 1
44 1 3 ASP HA 1 6 LYS QD 3.204 . 4.487 4.033 3.893 4.173 . 0 0 "[ . 1]" 1
45 1 3 ASP HA 1 6 LYS QE 3.335 . 4.725 4.767 4.584 4.932 0.207 4 0 "[ . 1]" 1
46 1 3 ASP HA 1 7 ALA MB 3.353 . 4.759 4.975 4.882 5.082 0.323 10 0 "[ . 1]" 1
47 1 3 ASP HB2 1 6 LYS QB 2.939 . 4.018 4.420 4.375 4.577 0.559 8 1 "[ . + 1]" 1
48 1 3 ASP HB3 1 4 ILE HA 3.520 . 5.069 4.430 4.322 4.677 . 0 0 "[ . 1]" 1
49 1 3 ASP HB3 1 6 LYS QB 2.754 . 3.702 3.535 3.453 3.711 0.009 8 0 "[ . 1]" 1
50 1 3 ASP HB3 1 6 LYS QB 2.571 . 3.397 3.509 3.440 3.680 0.283 8 0 "[ . 1]" 1
51 1 4 ILE HA 1 4 ILE HB 2.184 . 2.780 2.468 2.456 2.483 . 0 0 "[ . 1]" 1
52 1 4 ILE HA 1 4 ILE MD 2.570 . 3.395 3.264 3.164 3.298 . 0 0 "[ . 1]" 1
53 1 4 ILE HA 1 4 ILE QG 2.427 . 3.163 2.269 2.242 2.302 . 0 0 "[ . 1]" 1
54 1 4 ILE HA 1 4 ILE MG 2.328 . 3.006 3.192 3.185 3.198 0.192 3 0 "[ . 1]" 1
55 1 4 ILE HA 1 7 ALA MB 2.400 . 3.120 3.091 2.942 3.200 0.080 6 0 "[ . 1]" 1
56 1 4 ILE HB 1 4 ILE MD 2.312 . 2.980 3.139 3.129 3.146 0.166 9 0 "[ . 1]" 1
57 1 4 ILE HB 1 4 ILE QG 2.148 . 2.725 2.182 2.177 2.190 . 0 0 "[ . 1]" 1
58 1 4 ILE HB 1 4 ILE MG 2.192 . 2.793 2.144 2.142 2.149 . 0 0 "[ . 1]" 1
59 1 4 ILE MD 1 4 ILE QG 1.797 . 2.201 1.903 1.879 1.917 . 0 0 "[ . 1]" 1
60 1 4 ILE MD 1 4 ILE MG 1.867 . 2.303 1.678 1.551 1.767 . 0 0 "[ . 1]" 1
61 1 4 ILE MD 1 5 TYR HA 3.810 . 5.625 2.534 2.474 2.587 . 0 0 "[ . 1]" 1
62 1 4 ILE MD 1 5 TYR HB3 3.438 . 4.916 4.299 4.230 4.391 . 0 0 "[ . 1]" 1
63 1 4 ILE MD 1 5 TYR HD1 3.375 . 4.799 4.852 4.787 4.943 0.144 7 0 "[ . 1]" 1
64 1 4 ILE MD 1 5 TYR HE1 4.130 . 6.262 4.967 4.844 5.137 . 0 0 "[ . 1]" 1
65 1 4 ILE MD 1 6 LYS QB 4.130 . 6.262 5.691 5.560 5.778 . 0 0 "[ . 1]" 1
66 1 4 ILE MD 1 7 ALA MB 3.089 . 4.282 4.240 4.109 4.315 0.033 10 0 "[ . 1]" 1
67 1 4 ILE MD 1 8 ALA HA 3.527 . 5.082 5.000 4.852 5.108 0.026 3 0 "[ . 1]" 1
68 1 4 ILE MD 1 82 VAL MG2 2.402 . 3.123 2.638 2.508 2.716 . 0 0 "[ . 1]" 1
69 1 4 ILE QG 1 4 ILE MG 2.133 . 2.702 2.527 2.477 2.549 . 0 0 "[ . 1]" 1
70 1 4 ILE QG 1 4 ILE MG 2.569 . 3.394 1.713 1.658 1.822 0.086 9 0 "[ . 1]" 1
71 1 4 ILE QG 1 7 ALA MB 2.747 . 3.690 3.923 3.860 3.981 0.291 9 0 "[ . 1]" 1
72 1 4 ILE MG 1 7 ALA HA 4.084 . 6.169 5.021 4.944 5.120 . 0 0 "[ . 1]" 1
73 1 4 ILE MG 1 5 TYR HA 3.282 . 4.629 3.203 3.180 3.218 . 0 0 "[ . 1]" 1
74 1 4 ILE MG 1 5 TYR HB3 3.343 . 4.740 4.160 4.123 4.196 . 0 0 "[ . 1]" 1
75 1 4 ILE MG 1 5 TYR HD1 3.179 . 4.443 3.914 3.812 4.018 . 0 0 "[ . 1]" 1
76 1 4 ILE MG 1 5 TYR HE1 3.157 . 4.403 4.201 4.081 4.303 . 0 0 "[ . 1]" 1
77 1 4 ILE MG 1 6 LYS QB 3.650 . 5.315 4.935 4.877 4.997 . 0 0 "[ . 1]" 1
78 1 4 ILE MG 1 7 ALA MB 3.438 . 4.915 4.929 4.887 4.965 0.050 8 0 "[ . 1]" 1
79 1 5 TYR HA 1 5 TYR HB2 2.307 . 2.972 3.011 3.001 3.022 0.050 6 0 "[ . 1]" 1
80 1 5 TYR HA 1 5 TYR HB3 2.403 . 3.125 2.482 2.457 2.497 . 0 0 "[ . 1]" 1
81 1 5 TYR HA 1 8 ALA MB 2.105 . 2.659 1.974 1.858 2.110 . 0 0 "[ . 1]" 1
82 1 5 TYR HA 1 9 VAL MG2 2.906 . 3.962 4.056 4.012 4.167 0.205 8 0 "[ . 1]" 1
83 1 5 TYR HA 1 82 VAL MG1 2.551 . 3.364 3.034 2.881 3.192 . 0 0 "[ . 1]" 1
84 1 5 TYR HA 1 82 VAL MG2 2.770 . 3.729 1.835 1.806 1.871 0.005 8 0 "[ . 1]" 1
85 1 5 TYR HB2 1 5 TYR HD1 3.508 . 5.046 2.540 2.490 2.592 . 0 0 "[ . 1]" 1
86 1 5 TYR HB2 1 8 ALA MB 2.844 . 3.855 4.268 4.210 4.368 0.513 9 1 "[ . +1]" 1
87 1 5 TYR HB2 1 79 VAL MG1 2.947 . 4.033 2.614 2.345 2.931 . 0 0 "[ . 1]" 1
88 1 5 TYR HB2 1 79 VAL MG2 2.600 . 3.445 2.882 2.695 3.259 . 0 0 "[ . 1]" 1
89 1 5 TYR HB2 1 82 VAL MG2 3.049 . 4.211 3.521 3.340 3.733 . 0 0 "[ . 1]" 1
90 1 5 TYR HB3 1 5 TYR HD1 3.149 . 4.388 3.002 2.947 3.067 . 0 0 "[ . 1]" 1
91 1 5 TYR HB3 1 8 ALA MB 2.599 . 3.444 3.313 3.253 3.417 . 0 0 "[ . 1]" 1
92 1 5 TYR HB3 1 79 VAL MG1 2.864 . 3.889 2.277 2.095 2.451 . 0 0 "[ . 1]" 1
93 1 5 TYR HB3 1 79 VAL MG2 2.855 . 3.874 2.095 1.937 2.276 . 0 0 "[ . 1]" 1
94 1 5 TYR HB3 1 82 VAL MG1 2.691 . 3.596 2.167 1.977 2.391 . 0 0 "[ . 1]" 1
95 1 5 TYR HB3 1 82 VAL MG2 2.795 . 3.772 2.386 2.129 2.711 . 0 0 "[ . 1]" 1
96 1 5 TYR HD1 1 79 VAL MG1 3.506 . 5.042 2.167 1.960 2.504 0.010 6 0 "[ . 1]" 1
97 1 5 TYR HD1 1 82 VAL MG1 3.524 . 5.076 4.220 3.522 4.450 . 0 0 "[ . 1]" 1
98 1 5 TYR HD1 1 83 ARG HA 2.857 . 3.878 3.983 3.854 4.106 0.228 9 0 "[ . 1]" 1
99 1 5 TYR HE1 1 79 VAL MG1 3.255 . 4.579 3.902 3.663 4.206 . 0 0 "[ . 1]" 1
100 1 5 TYR HE1 1 82 VAL MG2 2.959 . 4.053 4.360 4.303 4.426 0.373 9 0 "[ . 1]" 1
101 1 5 TYR HE1 1 83 ARG HA 3.190 . 4.462 3.146 3.018 3.329 . 0 0 "[ . 1]" 1
102 1 6 LYS HA 1 6 LYS QB 2.216 . 2.830 2.421 2.366 2.480 . 0 0 "[ . 1]" 1
103 1 6 LYS HA 1 6 LYS QD 2.667 . 3.556 3.005 2.544 3.213 . 0 0 "[ . 1]" 1
104 1 6 LYS HA 1 6 LYS QE 2.447 . 3.195 1.843 1.723 2.162 . 0 0 "[ . 1]" 1
105 1 6 LYS HA 1 6 LYS HG2 2.852 . 3.868 3.333 2.363 3.789 . 0 0 "[ . 1]" 1
106 1 6 LYS HA 1 9 VAL HB 2.477 . 3.244 3.312 3.254 3.350 0.106 9 0 "[ . 1]" 1
107 1 6 LYS HA 1 9 VAL MG1 2.466 . 3.226 2.955 2.600 3.141 . 0 0 "[ . 1]" 1
108 1 6 LYS HA 1 9 VAL MG2 2.194 . 2.796 2.790 2.649 2.942 0.146 2 0 "[ . 1]" 1
109 1 6 LYS HA 1 9 VAL MG2 2.232 . 2.855 2.411 2.271 2.485 . 0 0 "[ . 1]" 1
110 1 6 LYS HA 1 79 VAL HA 3.212 . 4.502 4.649 4.582 4.744 0.242 9 0 "[ . 1]" 1
111 1 6 LYS QB 1 6 LYS QE 2.918 . 3.982 2.697 2.166 3.146 . 0 0 "[ . 1]" 1
112 1 6 LYS QB 1 6 LYS HG3 2.783 . 3.751 2.244 2.068 2.385 . 0 0 "[ . 1]" 1
113 1 6 LYS QB 1 7 ALA MB 2.764 . 3.719 3.771 3.715 3.824 0.105 10 0 "[ . 1]" 1
114 1 6 LYS QD 1 6 LYS QE 1.816 . 2.228 1.858 1.838 1.875 . 0 0 "[ . 1]" 1
115 1 6 LYS QE 1 6 LYS HG3 2.716 . 3.638 2.150 1.869 2.942 . 0 0 "[ . 1]" 1
116 1 6 LYS QE 1 9 VAL MG2 2.494 . 3.271 2.783 2.664 2.866 . 0 0 "[ . 1]" 1
117 1 6 LYS QE 1 9 VAL MG2 2.504 . 3.288 2.759 2.633 2.846 . 0 0 "[ . 1]" 1
118 1 6 LYS QE 1 10 GLU QB 3.487 . 5.007 4.662 4.358 5.077 0.070 3 0 "[ . 1]" 1
119 1 6 LYS QE 1 10 GLU HG2 2.667 . 3.556 3.531 3.333 3.693 0.137 7 0 "[ . 1]" 1
120 1 6 LYS QE 1 78 LEU MD1 3.519 . 5.067 5.301 5.138 5.388 0.321 7 0 "[ . 1]" 1
121 1 7 ALA HA 1 7 ALA MB 1.879 . 2.320 2.129 2.103 2.147 . 0 0 "[ . 1]" 1
122 1 7 ALA HA 1 10 GLU QB 1.960 . 2.440 2.574 2.490 2.682 0.242 6 0 "[ . 1]" 1
123 1 7 ALA MB 1 10 GLU QB 2.629 . 3.493 3.763 3.693 3.859 0.366 10 0 "[ . 1]" 1
124 1 7 ALA MB 1 10 GLU HG2 3.364 . 4.778 4.985 4.833 5.214 0.436 1 0 "[ . 1]" 1
125 1 7 ALA MB 1 11 GLN HB2 2.998 . 4.121 3.838 3.426 4.029 . 0 0 "[ . 1]" 1
126 1 7 ALA MB 1 11 GLN QG 2.968 . 4.069 2.904 2.574 3.417 . 0 0 "[ . 1]" 1
127 1 7 ALA MB 1 82 VAL MG2 2.583 . 3.417 3.471 3.373 3.580 0.163 7 0 "[ . 1]" 1
128 1 8 ALA HA 1 8 ALA MB 1.596 . 1.914 1.882 1.873 1.897 . 0 0 "[ . 1]" 1
129 1 8 ALA HA 1 11 GLN HB2 2.537 . 3.341 2.059 2.001 2.140 . 0 0 "[ . 1]" 1
130 1 8 ALA HA 1 11 GLN HB3 2.609 . 3.460 3.510 3.417 3.576 0.116 1 0 "[ . 1]" 1
131 1 8 ALA HA 1 11 GLN QG 2.337 . 3.020 2.761 2.517 3.074 0.054 9 0 "[ . 1]" 1
132 1 8 ALA HA 1 82 VAL MG2 3.002 . 4.128 4.271 4.171 4.379 0.251 10 0 "[ . 1]" 1
133 1 8 ALA HA 1 85 MET ME 3.833 . 5.670 5.320 5.150 5.661 . 0 0 "[ . 1]" 1
134 1 8 ALA MB 1 9 VAL HA 2.716 . 3.638 3.749 3.703 3.817 0.179 6 0 "[ . 1]" 1
135 1 8 ALA MB 1 10 GLU HG3 3.813 . 5.630 5.609 5.408 5.833 0.203 9 0 "[ . 1]" 1
136 1 8 ALA MB 1 79 VAL HA 2.934 . 4.010 4.189 4.135 4.287 0.277 8 0 "[ . 1]" 1
137 1 8 ALA MB 1 79 VAL MG1 2.795 . 3.772 3.939 3.878 4.036 0.264 10 0 "[ . 1]" 1
138 1 8 ALA MB 1 82 VAL MG2 2.098 . 2.648 1.766 1.676 1.872 . 0 0 "[ . 1]" 1
139 1 8 ALA MB 1 82 VAL HB 1.958 . 2.437 1.707 1.587 1.900 . 0 0 "[ . 1]" 1
140 1 8 ALA MB 1 82 VAL HA 2.832 . 3.835 3.817 3.723 3.921 0.086 10 0 "[ . 1]" 1
141 1 8 ALA MB 1 82 VAL MG1 1.941 . 2.412 2.276 2.122 2.394 . 0 0 "[ . 1]" 1
142 1 8 ALA MB 1 82 VAL MG2 2.211 . 2.822 1.884 1.787 1.947 . 0 0 "[ . 1]" 1
143 1 8 ALA MB 1 85 MET ME 2.452 . 3.203 3.333 3.254 3.462 0.259 10 0 "[ . 1]" 1
144 1 9 VAL HA 1 9 VAL HB 2.582 . 3.415 3.032 3.028 3.039 . 0 0 "[ . 1]" 1
145 1 9 VAL HA 1 9 VAL MG1 2.314 . 2.984 2.375 2.293 2.440 . 0 0 "[ . 1]" 1
146 1 9 VAL HA 1 9 VAL MG2 1.889 . 2.335 2.260 2.194 2.358 0.023 1 0 "[ . 1]" 1
147 1 9 VAL HA 1 12 LEU HG 2.070 . 2.606 2.690 2.621 2.814 0.208 7 0 "[ . 1]" 1
148 1 9 VAL HA 1 78 LEU HB2 2.317 . 2.988 2.881 2.795 3.000 0.012 1 0 "[ . 1]" 1
149 1 9 VAL HB 1 9 VAL MG1 1.935 . 2.403 2.130 2.110 2.150 . 0 0 "[ . 1]" 1
150 1 9 VAL HB 1 9 VAL MG2 1.733 . 2.109 2.135 2.118 2.147 0.038 2 0 "[ . 1]" 1
151 1 9 VAL MG1 1 10 GLU HA 2.716 . 3.638 3.454 3.320 3.598 . 0 0 "[ . 1]" 1
152 1 9 VAL MG1 1 10 GLU QB 3.094 . 4.291 4.303 3.981 4.559 0.268 10 0 "[ . 1]" 1
153 1 9 VAL MG1 1 10 GLU HG3 2.666 . 3.554 3.386 3.131 3.853 0.299 9 0 "[ . 1]" 1
154 1 9 VAL MG1 1 17 LYS QE 2.869 . 3.898 3.005 2.786 3.147 . 0 0 "[ . 1]" 1
155 1 9 VAL MG1 1 17 LYS QE 3.127 . 4.350 3.143 2.846 3.328 . 0 0 "[ . 1]" 1
156 1 9 VAL MG1 1 78 LEU HB3 2.169 . 2.757 2.661 2.247 2.865 0.108 1 0 "[ . 1]" 1
157 1 9 VAL MG1 1 78 LEU MD1 2.377 . 3.083 2.813 2.747 3.040 . 0 0 "[ . 1]" 1
158 1 9 VAL MG1 1 78 LEU MD2 2.361 . 3.058 3.271 3.200 3.374 0.316 8 0 "[ . 1]" 1
159 1 9 VAL MG2 1 17 LYS HD3 2.793 . 3.768 3.902 3.828 3.976 0.208 9 0 "[ . 1]" 1
160 1 9 VAL MG2 1 78 LEU HB3 2.085 . 2.628 1.720 1.663 1.794 . 0 0 "[ . 1]" 1
161 1 10 GLU HA 1 10 GLU QB 1.929 . 2.394 2.387 2.337 2.417 0.023 1 0 "[ . 1]" 1
162 1 10 GLU HA 1 10 GLU HG2 2.183 . 2.779 2.649 2.367 3.045 0.266 9 0 "[ . 1]" 1
163 1 10 GLU HA 1 10 GLU HG2 1.909 . 2.365 2.163 2.035 2.516 0.151 5 0 "[ . 1]" 1
164 1 10 GLU HA 1 10 GLU HG3 2.251 . 2.884 2.688 2.429 2.884 . 0 0 "[ . 1]" 1
165 1 10 GLU QB 1 10 GLU HG2 1.832 . 2.252 2.352 2.322 2.374 0.122 5 0 "[ . 1]" 1
166 1 10 GLU QB 1 10 GLU HG3 1.850 . 2.278 2.364 2.344 2.391 0.113 2 0 "[ . 1]" 1
167 1 11 GLN HA 1 11 GLN HB2 2.264 . 2.905 2.978 2.922 3.006 0.101 6 0 "[ . 1]" 1
168 1 11 GLN HA 1 11 GLN HB3 2.228 . 2.849 2.629 2.556 2.763 . 0 0 "[ . 1]" 1
169 1 11 GLN HA 1 11 GLN QG 2.104 . 2.658 2.319 1.979 2.710 0.052 6 0 "[ . 1]" 1
170 1 11 GLN HB2 1 12 LEU MD1 2.916 . 3.979 4.052 3.839 4.283 0.304 9 0 "[ . 1]" 1
171 1 11 GLN HB3 1 11 GLN QG 1.909 . 2.364 2.473 2.375 2.538 0.174 1 0 "[ . 1]" 1
172 1 11 GLN HB3 1 12 LEU MD2 2.697 . 3.606 3.475 2.925 3.944 0.338 6 0 "[ . 1]" 1
173 1 12 LEU HA 1 12 LEU HB2 2.611 . 3.463 3.028 3.022 3.032 . 0 0 "[ . 1]" 1
174 1 12 LEU HA 1 12 LEU HB3 2.431 . 3.170 2.460 2.405 2.540 . 0 0 "[ . 1]" 1
175 1 12 LEU HA 1 12 LEU MD1 2.956 . 4.048 3.691 3.631 3.752 . 0 0 "[ . 1]" 1
176 1 12 LEU HA 1 12 LEU MD2 2.136 . 2.706 1.881 1.808 1.962 . 0 0 "[ . 1]" 1
177 1 12 LEU HA 1 12 LEU HG 2.642 . 3.515 3.234 3.146 3.306 . 0 0 "[ . 1]" 1
178 1 12 LEU HA 1 16 GLN HA 4.176 . 6.355 5.482 5.136 5.813 . 0 0 "[ . 1]" 1
179 1 12 LEU HA 1 16 GLN HB2 3.811 . 5.627 3.793 2.788 4.760 . 0 0 "[ . 1]" 1
180 1 12 LEU HA 1 16 GLN HB3 2.886 . 3.927 3.135 2.659 3.481 . 0 0 "[ . 1]" 1
181 1 12 LEU HB2 1 12 LEU MD1 2.027 . 2.541 2.431 2.351 2.535 . 0 0 "[ . 1]" 1
182 1 12 LEU HB2 1 12 LEU HG 2.528 . 3.327 2.384 2.359 2.426 . 0 0 "[ . 1]" 1
183 1 12 LEU HB2 1 16 GLN HB3 2.858 . 3.879 4.071 3.703 4.676 0.797 6 1 "[ .+ 1]" 1
184 1 12 LEU HB2 1 16 GLN QG 3.169 . 4.424 4.603 3.813 5.204 0.780 4 3 "[ +- *]" 1
185 1 12 LEU HB2 1 17 LYS QE 3.068 . 4.245 2.393 2.136 2.772 . 0 0 "[ . 1]" 1
186 1 12 LEU HB2 1 78 LEU MD1 3.148 . 4.386 3.761 3.616 3.844 . 0 0 "[ . 1]" 1
187 1 12 LEU HB3 1 12 LEU MD1 2.107 . 2.662 2.176 2.118 2.236 . 0 0 "[ . 1]" 1
188 1 12 LEU HB3 1 12 LEU HG 2.431 . 3.170 3.021 3.015 3.029 . 0 0 "[ . 1]" 1
189 1 12 LEU HB3 1 16 GLN HB3 3.317 . 4.692 2.405 1.950 2.978 . 0 0 "[ . 1]" 1
190 1 12 LEU HB3 1 16 GLN HB3 2.620 . 3.478 2.400 1.950 2.964 . 0 0 "[ . 1]" 1
191 1 12 LEU HB3 1 17 LYS QE 3.526 . 5.080 2.338 2.230 2.389 . 0 0 "[ . 1]" 1
192 1 12 LEU MD1 1 12 LEU HG 2.166 . 2.753 2.119 2.092 2.136 . 0 0 "[ . 1]" 1
193 1 12 LEU MD1 1 17 LYS HA 3.063 . 4.235 2.737 2.419 3.162 . 0 0 "[ . 1]" 1
194 1 12 LEU MD1 1 20 PHE HA 3.365 . 4.781 4.558 4.401 4.710 . 0 0 "[ . 1]" 1
195 1 12 LEU MD1 1 20 PHE QB 3.495 . 5.022 3.095 2.919 3.286 . 0 0 "[ . 1]" 1
196 1 12 LEU MD1 1 20 PHE HD1 2.457 . 3.211 1.855 1.615 1.976 0.088 6 0 "[ . 1]" 1
197 1 12 LEU MD1 1 78 LEU MD2 2.126 . 2.691 2.538 2.333 2.731 0.040 5 0 "[ . 1]" 1
198 1 12 LEU MD2 1 12 LEU HG 2.070 . 2.300 2.141 2.120 2.154 . 0 0 "[ . 1]" 1
199 1 12 LEU MD2 1 13 THR MG 2.969 . 4.071 4.092 3.909 4.232 0.161 10 0 "[ . 1]" 1
200 1 12 LEU MD2 1 16 GLN HA 3.530 . 5.087 4.950 4.429 5.198 0.111 6 0 "[ . 1]" 1
201 1 12 LEU MD2 1 16 GLN HB3 2.335 . 3.016 2.793 2.081 3.162 0.146 7 0 "[ . 1]" 1
202 1 12 LEU MD2 1 16 GLN HB3 2.197 . 2.800 2.458 2.050 2.760 . 0 0 "[ . 1]" 1
203 1 12 LEU MD2 1 16 GLN QG 3.218 . 4.273 3.012 2.420 3.735 . 0 0 "[ . 1]" 1
204 1 12 LEU HG 1 78 LEU MD1 2.868 . 3.896 2.871 2.762 3.025 . 0 0 "[ . 1]" 1
205 1 12 LEU HG 1 78 LEU MD2 3.086 . 4.277 4.617 4.526 4.747 0.470 4 0 "[ . 1]" 1
206 1 13 THR HA 1 13 THR HB 2.103 . 2.656 2.427 2.340 2.541 . 0 0 "[ . 1]" 1
207 1 13 THR HA 1 14 GLU QB 3.241 . 4.554 4.570 4.280 4.725 0.171 2 0 "[ . 1]" 1
208 1 13 THR HB 1 13 THR MG 2.180 . 2.774 2.124 2.103 2.148 . 0 0 "[ . 1]" 1
209 1 13 THR HB 1 13 THR MG 1.841 . 2.265 1.896 1.883 1.908 . 0 0 "[ . 1]" 1
210 1 13 THR HB 1 16 GLN HB3 3.772 . 5.550 4.386 3.877 4.928 . 0 0 "[ . 1]" 1
211 1 13 THR MG 1 15 GLU QB 2.512 . 3.301 2.526 2.250 2.872 . 0 0 "[ . 1]" 1
212 1 13 THR MG 1 15 GLU QG 3.146 . 4.383 4.145 3.965 4.385 0.002 9 0 "[ . 1]" 1
213 1 13 THR MG 1 16 GLN HB3 2.421 . 3.153 2.124 1.732 2.729 . 0 0 "[ . 1]" 1
214 1 13 THR MG 1 16 GLN QG 2.883 . 3.922 3.003 1.738 3.575 0.157 4 0 "[ . 1]" 1
215 1 14 GLU HA 1 14 GLU QB 1.816 . 2.228 2.341 2.187 2.405 0.177 8 0 "[ . 1]" 1
216 1 14 GLU HA 1 17 LYS QE 2.824 . 3.821 3.770 3.618 3.968 0.147 10 0 "[ . 1]" 1
217 1 14 GLU QB 1 18 ASN HB2 3.363 . 4.777 3.816 3.677 3.982 . 0 0 "[ . 1]" 1
218 1 15 GLU HA 1 15 GLU QB 2.163 . 2.748 2.416 2.383 2.502 . 0 0 "[ . 1]" 1
219 1 15 GLU HA 1 15 GLU QB 1.956 . 2.434 2.310 2.171 2.389 . 0 0 "[ . 1]" 1
220 1 15 GLU HA 1 15 GLU QG 2.081 . 2.622 2.221 1.967 2.327 . 0 0 "[ . 1]" 1
221 1 15 GLU HA 1 15 GLU QG 1.888 . 2.333 2.077 1.857 2.209 . 0 0 "[ . 1]" 1
222 1 15 GLU HA 1 18 ASN HB2 2.649 . 3.526 2.824 2.710 2.955 . 0 0 "[ . 1]" 1
223 1 15 GLU HA 1 18 ASN HB2 2.481 . 3.250 2.418 2.393 2.449 . 0 0 "[ . 1]" 1
224 1 15 GLU HA 1 18 ASN HB3 2.614 . 3.468 2.706 2.335 2.992 . 0 0 "[ . 1]" 1
225 1 15 GLU HA 1 18 ASN HB3 2.313 . 2.982 2.595 2.264 2.936 . 0 0 "[ . 1]" 1
226 1 15 GLU QB 1 15 GLU QG 1.813 . 2.224 2.096 2.054 2.106 . 0 0 "[ . 1]" 1
227 1 15 GLU QB 1 16 GLN HA 2.583 . 3.417 3.698 3.479 3.794 0.377 8 0 "[ . 1]" 1
228 1 15 GLU QB 1 18 ASN HB3 3.424 . 4.889 4.419 4.215 4.545 . 0 0 "[ . 1]" 1
229 1 15 GLU QG 1 16 GLN HA 3.211 . 4.500 3.819 3.562 4.479 . 0 0 "[ . 1]" 1
230 1 15 GLU QG 1 18 ASN HB2 3.042 . 4.199 4.373 4.295 4.428 0.229 10 0 "[ . 1]" 1
231 1 16 GLN HA 1 16 GLN HB2 2.282 . 2.933 2.741 2.494 3.019 0.086 4 0 "[ . 1]" 1
232 1 16 GLN HA 1 16 GLN HB3 2.426 . 3.162 2.863 2.553 3.031 . 0 0 "[ . 1]" 1
233 1 16 GLN HA 1 16 GLN HB3 2.091 . 2.638 2.133 1.908 2.266 . 0 0 "[ . 1]" 1
234 1 16 GLN HA 1 16 GLN QG 2.255 . 2.891 2.209 1.935 2.340 . 0 0 "[ . 1]" 1
235 1 16 GLN HA 1 19 GLU HB2 2.424 . 3.158 3.144 3.026 3.257 0.099 4 0 "[ . 1]" 1
236 1 16 GLN HA 1 19 GLU HG3 3.736 . 5.480 4.885 4.043 5.551 0.071 7 0 "[ . 1]" 1
237 1 16 GLN HA 1 20 PHE HD1 4.169 . 6.341 4.658 3.890 6.269 . 0 0 "[ . 1]" 1
238 1 16 GLN HB2 1 16 GLN QG 2.434 . 2.808 2.398 2.263 2.525 . 0 0 "[ . 1]" 1
239 1 16 GLN QG 1 20 PHE HD1 3.694 . 5.399 3.833 2.412 4.752 . 0 0 "[ . 1]" 1
240 1 17 LYS HA 1 17 LYS QB 2.004 . 2.506 2.073 2.044 2.101 . 0 0 "[ . 1]" 1
241 1 17 LYS HA 1 17 LYS HG2 2.824 . 3.821 2.612 2.461 2.672 . 0 0 "[ . 1]" 1
242 1 17 LYS HA 1 17 LYS HG2 2.444 . 3.191 2.320 2.110 2.445 . 0 0 "[ . 1]" 1
243 1 17 LYS HA 1 17 LYS HG3 2.584 . 3.419 2.420 2.319 2.539 . 0 0 "[ . 1]" 1
244 1 17 LYS HA 1 17 LYS HG3 2.477 . 3.244 1.897 1.820 2.006 . 0 0 "[ . 1]" 1
245 1 17 LYS HA 1 20 PHE QB 2.667 . 3.556 2.542 2.358 2.766 . 0 0 "[ . 1]" 1
246 1 17 LYS HA 1 20 PHE HD1 2.816 . 3.807 2.507 2.214 3.376 . 0 0 "[ . 1]" 1
247 1 17 LYS HA 1 109 MET ME 3.232 . 4.537 4.542 4.471 4.685 0.148 9 0 "[ . 1]" 1
248 1 17 LYS HA 1 78 LEU HG 3.183 . 4.449 4.048 3.923 4.131 . 0 0 "[ . 1]" 1
249 1 17 LYS HA 1 78 LEU MD2 2.575 . 3.404 3.234 2.993 3.371 . 0 0 "[ . 1]" 1
250 1 17 LYS QB 1 17 LYS QE 3.665 . 5.344 1.948 1.891 2.040 0.095 5 0 "[ . 1]" 1
251 1 17 LYS QB 1 17 LYS HG3 2.470 . 3.232 2.345 2.296 2.397 . 0 0 "[ . 1]" 1
252 1 17 LYS QB 1 78 LEU MD2 2.842 . 3.852 3.893 3.743 3.985 0.133 8 0 "[ . 1]" 1
253 1 17 LYS HD3 1 78 LEU MD1 3.475 . 4.985 4.962 4.673 5.065 0.080 10 0 "[ . 1]" 1
254 1 17 LYS QE 1 17 LYS HG3 3.098 . 4.298 2.339 2.237 2.389 . 0 0 "[ . 1]" 1
255 1 17 LYS QE 1 78 LEU MD1 3.262 . 4.592 4.510 4.371 4.647 0.055 10 0 "[ . 1]" 1
256 1 17 LYS HG2 1 78 LEU MD2 2.578 . 3.409 2.700 2.540 2.841 . 0 0 "[ . 1]" 1
257 1 17 LYS HG2 1 78 LEU MD2 2.590 . 3.429 2.934 2.674 3.197 . 0 0 "[ . 1]" 1
258 1 17 LYS HG3 1 78 LEU MD1 2.630 . 3.494 3.700 3.632 3.750 0.256 1 0 "[ . 1]" 1
259 1 17 LYS HG3 1 78 LEU MD2 2.449 . 3.199 2.854 2.594 3.182 . 0 0 "[ . 1]" 1
260 1 18 ASN HA 1 18 ASN HB2 2.175 . 2.766 2.556 2.511 2.638 . 0 0 "[ . 1]" 1
261 1 18 ASN HA 1 18 ASN HB3 2.434 . 3.175 3.028 3.001 3.036 . 0 0 "[ . 1]" 1
262 1 18 ASN HA 1 19 GLU HA 3.426 . 4.893 4.808 4.784 4.825 . 0 0 "[ . 1]" 1
263 1 18 ASN HA 1 21 LYS HB2 2.373 . 3.077 3.032 2.921 3.094 0.017 7 0 "[ . 1]" 1
264 1 18 ASN HA 1 21 LYS HB3 2.550 . 3.363 2.551 2.423 2.724 . 0 0 "[ . 1]" 1
265 1 18 ASN HA 1 21 LYS HD3 3.490 . 5.012 5.200 5.111 5.262 0.250 6 0 "[ . 1]" 1
266 1 18 ASN HA 1 21 LYS QG 2.928 . 4.000 3.883 3.748 4.017 0.017 9 0 "[ . 1]" 1
267 1 18 ASN HB3 1 19 GLU HB2 3.074 . 4.255 4.226 3.927 4.448 0.193 8 0 "[ . 1]" 1
268 1 18 ASN HB3 1 19 GLU HG3 3.447 . 4.932 3.995 3.392 5.044 0.112 7 0 "[ . 1]" 1
269 1 19 GLU HA 1 19 GLU HB2 2.262 . 2.901 2.925 2.723 3.003 0.102 8 0 "[ . 1]" 1
270 1 19 GLU HA 1 19 GLU HB3 2.293 . 2.950 2.734 2.596 2.964 0.014 7 0 "[ . 1]" 1
271 1 19 GLU HA 1 19 GLU HG2 2.453 . 3.205 2.567 2.418 2.766 . 0 0 "[ . 1]" 1
272 1 19 GLU HA 1 19 GLU HG3 2.448 . 3.197 2.397 2.111 2.707 . 0 0 "[ . 1]" 1
273 1 19 GLU HA 1 21 LYS HB3 3.427 . 4.895 4.677 4.516 4.856 . 0 0 "[ . 1]" 1
274 1 19 GLU HA 1 22 ALA MB 2.483 . 3.254 2.896 2.629 3.073 . 0 0 "[ . 1]" 1
275 1 19 GLU HA 1 113 LEU MD1 3.022 . 4.164 3.203 2.762 3.752 . 0 0 "[ . 1]" 1
276 1 19 GLU HA 1 113 LEU MD2 3.037 . 4.190 3.201 2.577 3.545 . 0 0 "[ . 1]" 1
277 1 19 GLU HB2 1 19 GLU HG2 2.067 . 2.601 2.821 2.415 2.952 0.351 8 0 "[ . 1]" 1
278 1 19 GLU HB3 1 19 GLU HG2 1.932 . 2.399 2.367 2.281 2.451 0.052 7 0 "[ . 1]" 1
279 1 19 GLU HB3 1 113 LEU MD1 2.079 . 2.619 2.266 2.113 2.370 . 0 0 "[ . 1]" 1
280 1 19 GLU HG2 1 20 PHE HA 3.607 . 5.233 5.130 4.556 5.310 0.077 4 0 "[ . 1]" 1
281 1 19 GLU HG2 1 22 ALA MB 3.330 . 4.716 4.438 4.012 4.613 . 0 0 "[ . 1]" 1
282 1 19 GLU HG2 1 113 LEU MD1 2.649 . 3.526 2.323 1.951 2.708 . 0 0 "[ . 1]" 1
283 1 19 GLU HG3 1 113 LEU MD1 2.871 . 3.902 3.537 2.443 4.086 0.184 4 0 "[ . 1]" 1
284 1 20 PHE HA 1 20 PHE QB 2.341 . 3.026 2.420 2.381 2.441 . 0 0 "[ . 1]" 1
285 1 20 PHE HA 1 22 ALA MB 3.155 . 4.399 4.575 4.513 4.639 0.240 6 0 "[ . 1]" 1
286 1 20 PHE HA 1 23 ALA MB 2.526 . 3.324 2.556 2.353 2.757 . 0 0 "[ . 1]" 1
287 1 20 PHE HA 1 78 LEU MD2 3.375 . 4.799 4.101 3.865 4.399 . 0 0 "[ . 1]" 1
288 1 20 PHE HA 1 109 MET ME 2.690 . 3.594 2.249 1.948 2.463 . 0 0 "[ . 1]" 1
289 1 20 PHE QB 1 20 PHE HD1 2.230 . 2.851 2.312 2.281 2.431 . 0 0 "[ . 1]" 1
290 1 20 PHE QB 1 23 ALA MB 3.037 . 4.190 3.395 3.330 3.457 . 0 0 "[ . 1]" 1
291 1 20 PHE QB 1 108 MET ME 3.448 . 4.934 5.031 4.851 5.112 0.178 10 0 "[ . 1]" 1
292 1 20 PHE QB 1 74 PHE HE1 2.403 . 3.125 3.319 3.253 3.383 0.258 7 0 "[ . 1]" 1
293 1 20 PHE QB 1 77 PHE HE1 2.430 . 3.168 3.006 2.704 3.202 0.034 4 0 "[ . 1]" 1
294 1 20 PHE QB 1 78 LEU MD1 3.059 . 4.229 3.354 3.166 3.600 . 0 0 "[ . 1]" 1
295 1 20 PHE QB 1 78 LEU MD2 2.334 . 3.015 1.904 1.681 2.107 . 0 0 "[ . 1]" 1
296 1 20 PHE QB 1 109 MET ME 3.079 . 4.264 4.127 3.878 4.290 0.026 6 0 "[ . 1]" 1
297 1 20 PHE HD1 1 78 LEU MD1 2.753 . 3.701 3.604 2.740 3.871 0.170 5 0 "[ . 1]" 1
298 1 21 LYS HA 1 21 LYS HD2 2.486 . 3.259 1.984 1.903 2.101 . 0 0 "[ . 1]" 1
299 1 21 LYS HA 1 21 LYS HD3 3.362 . 4.775 2.742 2.454 2.979 . 0 0 "[ . 1]" 1
300 1 21 LYS HA 1 21 LYS HE2 3.667 . 5.348 4.402 4.165 4.708 . 0 0 "[ . 1]" 1
301 1 21 LYS HA 1 21 LYS QG 2.661 . 3.546 2.827 2.768 2.864 . 0 0 "[ . 1]" 1
302 1 21 LYS HA 1 24 PHE HB3 2.579 . 3.411 2.621 2.538 2.791 . 0 0 "[ . 1]" 1
303 1 21 LYS HA 1 24 PHE HB3 2.262 . 2.902 2.460 2.403 2.561 . 0 0 "[ . 1]" 1
304 1 21 LYS HA 1 74 PHE HD1 3.024 . 4.167 3.693 3.470 3.873 . 0 0 "[ . 1]" 1
305 1 21 LYS HB2 1 21 LYS QG 2.550 . 3.363 2.389 2.365 2.404 . 0 0 "[ . 1]" 1
306 1 21 LYS HB3 1 21 LYS QG 2.328 . 3.006 2.199 2.197 2.201 . 0 0 "[ . 1]" 1
307 1 21 LYS HB3 1 22 ALA HA 2.781 . 3.748 3.411 3.288 3.525 . 0 0 "[ . 1]" 1
308 1 21 LYS HD2 1 21 LYS HE2 2.723 . 3.650 2.609 2.426 3.042 . 0 0 "[ . 1]" 1
309 1 21 LYS HD2 1 21 LYS HE3 2.914 . 3.975 2.690 2.384 3.041 . 0 0 "[ . 1]" 1
310 1 21 LYS HD2 1 21 LYS QG 2.161 . 2.745 2.319 2.267 2.371 . 0 0 "[ . 1]" 1
311 1 21 LYS HD2 1 24 PHE HA 3.730 . 5.470 5.568 5.497 5.634 0.164 10 0 "[ . 1]" 1
312 1 21 LYS HD2 1 24 PHE HB2 3.836 . 5.675 3.652 3.568 3.726 . 0 0 "[ . 1]" 1
313 1 21 LYS HD2 1 24 PHE HB3 2.808 . 3.794 2.657 2.543 2.717 . 0 0 "[ . 1]" 1
314 1 21 LYS HD3 1 21 LYS HE2 2.807 . 3.792 2.689 2.416 3.036 . 0 0 "[ . 1]" 1
315 1 21 LYS HD3 1 21 LYS HE3 2.823 . 3.819 2.606 2.427 3.037 . 0 0 "[ . 1]" 1
316 1 21 LYS HD3 1 24 PHE HB3 3.689 . 5.390 3.586 3.460 3.832 . 0 0 "[ . 1]" 1
317 1 21 LYS HE2 1 21 LYS QG 2.847 . 3.860 2.754 2.327 3.305 . 0 0 "[ . 1]" 1
318 1 21 LYS HE3 1 21 LYS QG 2.777 . 3.741 2.722 2.261 3.310 . 0 0 "[ . 1]" 1
319 1 21 LYS QG 1 22 ALA HA 3.086 . 4.277 3.741 3.647 3.900 . 0 0 "[ . 1]" 1
320 1 21 LYS QG 1 22 ALA HA 2.913 . 3.974 2.772 2.137 3.319 . 0 0 "[ . 1]" 1
321 1 21 LYS QG 1 24 PHE HA 4.514 . 7.061 6.407 6.297 6.522 . 0 0 "[ . 1]" 1
322 1 22 ALA HA 1 22 ALA MB 1.855 . 2.285 2.140 2.111 2.148 . 0 0 "[ . 1]" 1
323 1 22 ALA HA 1 25 ASP HB2 2.884 . 3.924 3.810 3.690 4.021 0.097 4 0 "[ . 1]" 1
324 1 22 ALA HA 1 26 ILE MD 2.740 . 3.679 2.921 2.629 3.175 . 0 0 "[ . 1]" 1
325 1 22 ALA HA 1 26 ILE MD 3.145 . 4.381 3.274 3.171 3.355 . 0 0 "[ . 1]" 1
326 1 22 ALA MB 1 26 ILE MD 2.395 . 3.112 2.621 2.506 2.746 . 0 0 "[ . 1]" 1
327 1 22 ALA MB 1 109 MET ME 2.537 . 3.341 3.090 2.552 3.327 . 0 0 "[ . 1]" 1
328 1 22 ALA MB 1 113 LEU MD1 2.653 . 3.533 3.362 2.980 3.602 0.069 7 0 "[ . 1]" 1
329 1 22 ALA MB 1 113 LEU MD2 2.326 . 3.002 1.804 1.646 2.006 0.004 3 0 "[ . 1]" 1
330 1 23 ALA HA 1 23 ALA MB 2.234 . 2.858 2.115 2.098 2.137 . 0 0 "[ . 1]" 1
331 1 23 ALA HA 1 26 ILE HB 2.990 . 4.108 2.348 2.269 2.449 . 0 0 "[ . 1]" 1
332 1 23 ALA HA 1 26 ILE MD 2.311 . 2.979 1.877 1.781 2.169 . 0 0 "[ . 1]" 1
333 1 23 ALA HA 1 26 ILE HG12 3.454 . 4.945 4.221 4.108 4.399 . 0 0 "[ . 1]" 1
334 1 23 ALA HA 1 26 ILE MG 2.712 . 3.631 3.597 3.470 3.711 0.080 5 0 "[ . 1]" 1
335 1 23 ALA HA 1 112 LEU MD2 3.122 . 4.341 3.767 3.462 3.874 . 0 0 "[ . 1]" 1
336 1 23 ALA MB 1 26 ILE HB 2.946 . 4.031 3.692 3.666 3.743 . 0 0 "[ . 1]" 1
337 1 23 ALA MB 1 26 ILE MD 2.414 . 3.142 3.091 3.010 3.174 0.032 8 0 "[ . 1]" 1
338 1 23 ALA MB 1 26 ILE MD 2.375 . 3.080 2.149 1.826 2.758 . 0 0 "[ . 1]" 1
339 1 23 ALA MB 1 81 MET ME 2.779 . 3.744 2.778 2.248 3.146 . 0 0 "[ . 1]" 1
340 1 23 ALA MB 1 108 MET ME 2.338 . 3.021 2.931 2.609 3.077 0.056 9 0 "[ . 1]" 1
341 1 23 ALA MB 1 109 MET HA 3.228 . 4.530 3.073 2.959 3.213 . 0 0 "[ . 1]" 1
342 1 23 ALA MB 1 109 MET ME 1.895 . 2.344 1.624 1.559 1.698 . 0 0 "[ . 1]" 1
343 1 23 ALA MB 1 109 MET QG 2.402 . 3.123 2.492 1.927 2.774 . 0 0 "[ . 1]" 1
344 1 23 ALA MB 1 112 LEU MD1 2.391 . 3.105 1.793 1.701 1.958 . 0 0 "[ . 1]" 1
345 1 23 ALA MB 1 112 LEU MD1 1.954 . 2.431 1.698 1.636 1.797 . 0 0 "[ . 1]" 1
346 1 23 ALA MB 1 112 LEU MD2 3.289 . 4.641 4.048 3.767 4.230 . 0 0 "[ . 1]" 1
347 1 24 PHE HA 1 24 PHE HB2 2.267 . 2.910 2.328 2.313 2.357 . 0 0 "[ . 1]" 1
348 1 24 PHE HA 1 24 PHE HB3 2.228 . 2.848 2.678 2.577 2.735 . 0 0 "[ . 1]" 1
349 1 24 PHE HA 1 24 PHE HD1 2.961 . 4.057 2.713 2.532 2.817 . 0 0 "[ . 1]" 1
350 1 24 PHE HA 1 27 PHE HD1 2.663 . 3.549 3.596 3.501 3.682 0.133 5 0 "[ . 1]" 1
351 1 24 PHE HA 1 27 PHE HE1 3.028 . 4.174 4.474 4.379 4.581 0.407 7 0 "[ . 1]" 1
352 1 24 PHE HA 1 28 VAL MG1 3.201 . 4.482 4.031 3.938 4.100 . 0 0 "[ . 1]" 1
353 1 24 PHE HA 1 36 ILE MD 3.431 . 4.902 2.396 2.156 2.681 . 0 0 "[ . 1]" 1
354 1 24 PHE HA 1 74 PHE HD1 3.526 . 5.080 5.248 5.173 5.308 0.228 8 0 "[ . 1]" 1
355 1 24 PHE HA 1 77 PHE HD1 3.759 . 5.525 4.279 3.984 4.490 . 0 0 "[ . 1]" 1
356 1 24 PHE HB2 1 74 PHE HA 3.914 . 5.829 2.865 2.699 2.995 . 0 0 "[ . 1]" 1
357 1 24 PHE HB2 1 74 PHE HD1 2.910 . 3.969 3.002 2.881 3.084 . 0 0 "[ . 1]" 1
358 1 24 PHE HB3 1 74 PHE HD1 2.844 . 3.855 3.889 3.733 4.017 0.162 10 0 "[ . 1]" 1
359 1 24 PHE HD1 1 28 VAL MG2 2.725 . 3.653 3.624 3.520 3.733 0.080 8 0 "[ . 1]" 1
360 1 24 PHE HD1 1 73 ASP HA 2.747 . 3.691 3.848 3.790 3.967 0.276 10 0 "[ . 1]" 1
361 1 24 PHE HD1 1 74 PHE HA 2.686 . 3.588 2.798 2.638 2.919 . 0 0 "[ . 1]" 1
362 1 24 PHE HD1 1 74 PHE HB2 3.447 . 4.932 4.105 3.981 4.188 . 0 0 "[ . 1]" 1
363 1 24 PHE HE1 1 28 VAL MG1 3.026 . 4.171 2.960 2.773 3.178 . 0 0 "[ . 1]" 1
364 1 24 PHE HE1 1 28 VAL MG2 3.533 . 5.094 3.259 3.103 3.460 . 0 0 "[ . 1]" 1
365 1 24 PHE HE1 1 35 SER HA 2.720 . 3.645 2.851 2.600 2.991 . 0 0 "[ . 1]" 1
366 1 24 PHE HE1 1 35 SER HB2 3.508 . 5.046 4.891 4.574 5.098 0.052 2 0 "[ . 1]" 1
367 1 24 PHE HE1 1 36 ILE HG13 4.891 . 7.881 2.614 2.434 2.851 . 0 0 "[ . 1]" 1
368 1 24 PHE HE1 1 73 ASP HA 2.755 . 3.704 1.954 1.758 2.323 0.048 3 0 "[ . 1]" 1
369 1 24 PHE HE1 1 73 ASP HB2 4.166 . 6.336 4.316 3.647 4.744 . 0 0 "[ . 1]" 1
370 1 24 PHE HE1 1 73 ASP HB3 4.002 . 6.004 4.083 3.585 4.655 . 0 0 "[ . 1]" 1
371 1 25 ASP HA 1 25 ASP HB2 2.283 . 2.935 2.481 2.376 2.525 . 0 0 "[ . 1]" 1
372 1 25 ASP HA 1 25 ASP HB3 2.221 . 2.838 3.019 3.011 3.022 0.184 3 0 "[ . 1]" 1
373 1 25 ASP HA 1 28 VAL MG1 3.187 . 4.457 4.521 4.480 4.568 0.111 10 0 "[ . 1]" 1
374 1 25 ASP HA 1 28 VAL MG2 2.118 . 2.679 2.014 1.957 2.103 . 0 0 "[ . 1]" 1
375 1 25 ASP HB2 1 26 ILE MD 3.400 . 4.845 4.801 4.551 5.055 0.210 8 0 "[ . 1]" 1
376 1 25 ASP HB2 1 28 VAL MG2 3.564 . 5.152 4.083 4.013 4.187 . 0 0 "[ . 1]" 1
377 1 25 ASP HB3 1 26 ILE MD 3.764 . 5.534 3.334 3.074 3.624 . 0 0 "[ . 1]" 1
378 1 25 ASP HB3 1 28 VAL MG2 3.125 . 4.346 4.480 4.398 4.564 0.218 8 0 "[ . 1]" 1
379 1 26 ILE HA 1 26 ILE HB 2.699 . 3.609 2.985 2.973 3.002 . 0 0 "[ . 1]" 1
380 1 26 ILE HA 1 26 ILE MD 2.526 . 3.324 3.339 3.242 3.454 0.130 5 0 "[ . 1]" 1
381 1 26 ILE HA 1 26 ILE HG12 2.588 . 3.425 3.213 3.109 3.285 . 0 0 "[ . 1]" 1
382 1 26 ILE HA 1 26 ILE HG13 2.569 . 3.394 2.043 1.995 2.099 . 0 0 "[ . 1]" 1
383 1 26 ILE HA 1 26 ILE MG 2.101 . 2.653 2.602 2.538 2.669 0.016 2 0 "[ . 1]" 1
384 1 26 ILE HA 1 26 ILE MG 2.416 . 3.146 2.185 2.155 2.218 . 0 0 "[ . 1]" 1
385 1 26 ILE HA 1 28 VAL MG2 3.139 . 4.370 3.913 3.835 3.984 . 0 0 "[ . 1]" 1
386 1 26 ILE HA 1 29 LEU HA 3.116 . 4.330 4.038 3.930 4.170 . 0 0 "[ . 1]" 1
387 1 26 ILE HA 1 29 LEU HB2 2.869 . 3.898 2.232 2.183 2.286 . 0 0 "[ . 1]" 1
388 1 26 ILE HA 1 29 LEU HB3 2.900 . 3.951 3.911 3.833 3.975 0.024 8 0 "[ . 1]" 1
389 1 26 ILE HA 1 29 LEU MD1 2.647 . 3.523 1.790 1.722 1.855 0.049 6 0 "[ . 1]" 1
390 1 26 ILE HA 1 29 LEU MD2 3.084 . 4.273 4.090 3.944 4.230 . 0 0 "[ . 1]" 1
391 1 26 ILE HB 1 26 ILE MD 2.214 . 2.827 1.922 1.886 1.956 . 0 0 "[ . 1]" 1
392 1 26 ILE HB 1 26 ILE MD 2.041 . 2.561 1.785 1.759 1.811 . 0 0 "[ . 1]" 1
393 1 26 ILE HB 1 26 ILE HG12 2.625 . 3.486 2.793 2.756 2.845 . 0 0 "[ . 1]" 1
394 1 26 ILE HB 1 26 ILE HG12 2.474 . 3.239 2.685 2.637 2.741 . 0 0 "[ . 1]" 1
395 1 26 ILE HB 1 26 ILE HG13 2.492 . 3.268 2.908 2.866 2.934 . 0 0 "[ . 1]" 1
396 1 26 ILE HB 1 26 ILE MG 1.938 . 2.407 1.803 1.690 1.945 . 0 0 "[ . 1]" 1
397 1 26 ILE MD 1 26 ILE HG12 2.062 . 2.593 2.114 2.106 2.125 . 0 0 "[ . 1]" 1
398 1 26 ILE MD 1 26 ILE HG12 2.058 . 2.587 1.808 1.769 1.898 . 0 0 "[ . 1]" 1
399 1 26 ILE MD 1 26 ILE HG13 2.046 . 2.569 2.113 2.104 2.124 . 0 0 "[ . 1]" 1
400 1 26 ILE MD 1 112 LEU HA 2.271 . 2.916 2.191 2.022 2.320 . 0 0 "[ . 1]" 1
401 1 26 ILE MD 1 27 PHE HB2 3.565 . 5.154 5.093 4.513 5.397 0.243 5 0 "[ . 1]" 1
402 1 26 ILE MD 1 112 LEU HB2 2.058 . 2.587 2.038 1.784 2.326 . 0 0 "[ . 1]" 1
403 1 26 ILE MD 1 113 LEU HA 2.827 . 3.826 3.062 2.458 3.308 . 0 0 "[ . 1]" 1
404 1 26 ILE HG12 1 26 ILE MG 2.319 . 2.991 1.968 1.900 2.138 . 0 0 "[ . 1]" 1
405 1 26 ILE HG12 1 29 LEU MD1 2.485 . 3.257 3.419 3.330 3.500 0.243 5 0 "[ . 1]" 1
406 1 26 ILE HG12 1 29 LEU MD1 3.083 . 4.271 3.243 3.107 3.305 . 0 0 "[ . 1]" 1
407 1 26 ILE HG12 1 112 LEU MD1 2.872 . 3.903 4.033 3.719 4.126 0.223 8 0 "[ . 1]" 1
408 1 26 ILE HG13 1 26 ILE MG 2.139 . 2.711 2.707 2.666 2.787 0.076 7 0 "[ . 1]" 1
409 1 26 ILE HG13 1 29 LEU MD1 2.944 . 4.028 2.292 2.134 2.477 . 0 0 "[ . 1]" 1
410 1 26 ILE HG13 1 112 LEU HB2 2.205 . 2.813 2.982 2.970 3.006 0.193 2 0 "[ . 1]" 1
411 1 26 ILE MG 1 27 PHE HA 2.512 . 3.301 3.038 2.867 3.168 . 0 0 "[ . 1]" 1
412 1 26 ILE MG 1 27 PHE HA 2.807 . 3.792 2.974 2.828 3.092 . 0 0 "[ . 1]" 1
413 1 26 ILE MG 1 27 PHE HB2 3.394 . 4.834 3.228 2.936 3.415 . 0 0 "[ . 1]" 1
414 1 26 ILE MG 1 27 PHE HD1 2.604 . 3.452 2.913 2.635 3.232 . 0 0 "[ . 1]" 1
415 1 26 ILE MG 1 27 PHE HE1 3.006 . 4.135 3.619 3.402 4.059 . 0 0 "[ . 1]" 1
416 1 26 ILE MG 1 47 MET ME 2.120 . 2.682 1.804 1.694 1.953 . 0 0 "[ . 1]" 1
417 1 26 ILE MG 1 44 VAL MG1 2.609 . 3.460 2.833 2.625 3.024 . 0 0 "[ . 1]" 1
418 1 26 ILE MG 1 44 VAL HB 2.978 . 4.086 3.764 3.517 3.965 . 0 0 "[ . 1]" 1
419 1 26 ILE MG 1 44 VAL MG2 2.230 . 2.852 1.647 1.598 1.746 0.010 10 0 "[ . 1]" 1
420 1 26 ILE MG 1 47 MET HB2 2.666 . 3.555 3.057 1.977 3.687 0.132 4 0 "[ . 1]" 1
421 1 26 ILE MG 1 47 MET ME 2.482 . 3.252 1.967 1.775 2.273 . 0 0 "[ . 1]" 1
422 1 26 ILE MG 1 112 LEU HB3 2.326 . 3.002 2.054 1.825 3.110 0.108 2 0 "[ . 1]" 1
423 1 27 PHE HA 1 27 PHE HB2 2.724 . 3.651 2.987 2.958 3.002 . 0 0 "[ . 1]" 1
424 1 27 PHE HA 1 27 PHE HD1 2.495 . 3.273 3.353 3.213 3.434 0.161 3 0 "[ . 1]" 1
425 1 27 PHE HA 1 28 VAL MG1 3.291 . 4.645 4.566 4.443 4.685 0.040 3 0 "[ . 1]" 1
426 1 27 PHE HA 1 41 LEU MD1 3.203 . 4.485 4.547 4.434 4.667 0.182 2 0 "[ . 1]" 1
427 1 27 PHE HA 1 47 MET ME 3.160 . 4.408 4.391 4.182 4.590 0.182 7 0 "[ . 1]" 1
428 1 27 PHE HA 1 44 VAL MG1 2.976 . 4.083 3.850 3.765 3.921 . 0 0 "[ . 1]" 1
429 1 27 PHE HA 1 44 VAL MG2 2.681 . 3.580 1.783 1.686 1.871 0.096 9 0 "[ . 1]" 1
430 1 27 PHE HA 1 112 LEU MD1 2.883 . 3.922 3.984 3.602 4.143 0.221 8 0 "[ . 1]" 1
431 1 27 PHE HA 1 112 LEU MD2 2.643 . 3.516 3.495 3.313 3.634 0.118 5 0 "[ . 1]" 1
432 1 27 PHE HB2 1 27 PHE HD1 2.368 . 3.069 2.570 2.501 2.662 . 0 0 "[ . 1]" 1
433 1 27 PHE HB2 1 28 VAL MG1 3.023 . 4.166 3.457 3.283 3.701 . 0 0 "[ . 1]" 1
434 1 27 PHE HB2 1 28 VAL MG2 3.196 . 4.472 3.593 3.485 3.688 . 0 0 "[ . 1]" 1
435 1 27 PHE HB2 1 36 ILE MD 3.070 . 4.248 2.050 1.901 2.227 . 0 0 "[ . 1]" 1
436 1 27 PHE HB3 1 28 VAL MG1 2.815 . 3.805 3.044 2.891 3.207 . 0 0 "[ . 1]" 1
437 1 27 PHE HB3 1 28 VAL MG2 3.153 . 4.396 4.181 3.968 4.289 . 0 0 "[ . 1]" 1
438 1 27 PHE HB3 1 36 ILE MD 2.686 . 3.588 2.511 2.163 2.785 . 0 0 "[ . 1]" 1
439 1 27 PHE HB3 1 36 ILE HG12 3.384 . 4.816 1.873 1.811 1.999 0.141 7 0 "[ . 1]" 1
440 1 27 PHE HB3 1 36 ILE MG 2.938 . 4.017 2.213 2.002 2.436 . 0 0 "[ . 1]" 1
441 1 27 PHE HB3 1 44 VAL MG1 3.321 . 4.700 5.029 4.872 5.156 0.456 2 0 "[ . 1]" 1
442 1 27 PHE HD1 1 36 ILE MD 2.654 . 3.534 3.586 3.552 3.669 0.135 2 0 "[ . 1]" 1
443 1 27 PHE HD1 1 41 LEU HA 3.999 . 5.998 5.868 5.715 6.030 0.032 9 0 "[ . 1]" 1
444 1 27 PHE HD1 1 44 VAL HB 3.084 . 4.273 4.441 4.339 4.494 0.221 2 0 "[ . 1]" 1
445 1 27 PHE HD1 1 44 VAL MG1 2.806 . 3.790 3.451 3.330 3.600 . 0 0 "[ . 1]" 1
446 1 27 PHE HD1 1 44 VAL MG2 2.674 . 3.568 2.881 2.649 3.122 . 0 0 "[ . 1]" 1
447 1 27 PHE HD1 1 47 MET ME 4.434 . 6.892 5.238 4.872 5.580 . 0 0 "[ . 1]" 1
448 1 27 PHE HD1 1 112 LEU MD1 2.696 . 3.605 2.611 1.875 2.771 . 0 0 "[ . 1]" 1
449 1 27 PHE HD1 1 112 LEU MD2 3.992 . 5.984 3.911 3.657 4.090 . 0 0 "[ . 1]" 1
450 1 27 PHE HE1 1 44 VAL MG1 2.658 . 3.541 2.458 2.362 2.617 . 0 0 "[ . 1]" 1
451 1 27 PHE HE1 1 44 VAL MG2 3.085 . 4.275 3.530 3.377 3.662 . 0 0 "[ . 1]" 1
452 1 27 PHE HE1 1 112 LEU MD1 2.871 . 3.901 1.733 1.679 1.805 0.162 4 0 "[ . 1]" 1
453 1 27 PHE HE1 1 112 LEU MD2 3.416 . 4.874 3.023 2.776 3.277 . 0 0 "[ . 1]" 1
454 1 28 VAL HA 1 28 VAL HB 2.354 . 3.046 2.527 2.492 2.553 . 0 0 "[ . 1]" 1
455 1 28 VAL HA 1 28 VAL MG1 2.324 . 2.999 2.284 2.148 2.356 . 0 0 "[ . 1]" 1
456 1 28 VAL HA 1 28 VAL MG2 2.325 . 3.000 3.161 3.151 3.166 0.166 3 0 "[ . 1]" 1
457 1 28 VAL HA 1 31 ALA MB 2.297 . 2.957 2.383 2.291 2.482 . 0 0 "[ . 1]" 1
458 1 28 VAL HA 1 36 ILE HA 3.738 . 5.485 3.727 3.566 3.896 . 0 0 "[ . 1]" 1
459 1 28 VAL HA 1 61 ILE MD 3.627 . 5.272 5.318 5.183 5.637 0.365 8 0 "[ . 1]" 1
460 1 28 VAL HA 1 40 GLU HG2 2.819 . 3.813 2.546 1.856 3.931 0.118 3 0 "[ . 1]" 1
461 1 28 VAL HA 1 40 GLU HG3 2.744 . 3.685 2.663 2.254 3.139 . 0 0 "[ . 1]" 1
462 1 28 VAL HB 1 28 VAL MG1 2.255 . 2.891 2.124 2.112 2.138 . 0 0 "[ . 1]" 1
463 1 28 VAL HB 1 28 VAL MG2 2.205 . 2.813 2.115 2.107 2.125 . 0 0 "[ . 1]" 1
464 1 28 VAL HB 1 31 ALA MB 2.383 . 3.093 1.778 1.715 1.847 . 0 0 "[ . 1]" 1
465 1 28 VAL HB 1 34 GLY HA2 3.139 . 4.371 2.355 2.124 2.449 . 0 0 "[ . 1]" 1
466 1 28 VAL HB 1 34 GLY HA3 3.253 . 4.576 3.924 3.666 4.075 . 0 0 "[ . 1]" 1
467 1 28 VAL HB 1 35 SER HA 3.171 . 4.428 4.181 4.120 4.235 . 0 0 "[ . 1]" 1
468 1 28 VAL HB 1 40 GLU HG2 3.726 . 5.461 3.859 3.081 5.182 . 0 0 "[ . 1]" 1
469 1 28 VAL HB 1 40 GLU HG3 3.784 . 5.574 4.489 3.428 5.034 . 0 0 "[ . 1]" 1
470 1 28 VAL MG1 1 28 VAL MG2 2.113 . 2.671 1.965 1.896 2.059 . 0 0 "[ . 1]" 1
471 1 28 VAL MG1 1 29 LEU HB2 3.564 . 5.151 4.852 4.575 5.124 . 0 0 "[ . 1]" 1
472 1 28 VAL MG1 1 31 ALA MB 2.318 . 2.990 2.622 2.519 2.727 . 0 0 "[ . 1]" 1
473 1 28 VAL MG1 1 34 GLY HA2 3.687 . 5.386 3.411 3.235 3.549 . 0 0 "[ . 1]" 1
474 1 28 VAL MG1 1 34 GLY HA3 3.270 . 4.607 4.211 4.059 4.372 . 0 0 "[ . 1]" 1
475 1 28 VAL MG1 1 35 SER HA 2.648 . 3.525 2.845 2.679 2.965 . 0 0 "[ . 1]" 1
476 1 28 VAL MG1 1 35 SER HB2 3.493 . 5.018 4.333 4.212 4.422 . 0 0 "[ . 1]" 1
477 1 28 VAL MG1 1 35 SER HB3 3.500 . 5.032 4.592 4.471 4.673 . 0 0 "[ . 1]" 1
478 1 28 VAL MG1 1 36 ILE HA 2.777 . 3.741 1.788 1.734 1.844 0.079 6 0 "[ . 1]" 1
479 1 28 VAL MG1 1 36 ILE HB 3.643 . 5.302 3.482 3.388 3.560 . 0 0 "[ . 1]" 1
480 1 28 VAL MG1 1 36 ILE MD 3.121 . 4.338 3.190 3.109 3.308 . 0 0 "[ . 1]" 1
481 1 28 VAL MG1 1 36 ILE HG12 2.979 . 4.088 1.843 1.793 2.047 0.077 5 0 "[ . 1]" 1
482 1 28 VAL MG1 1 36 ILE HG13 2.646 . 3.521 1.919 1.793 2.012 . 0 0 "[ . 1]" 1
483 1 28 VAL MG1 1 36 ILE MG 2.887 . 3.929 3.073 2.971 3.205 . 0 0 "[ . 1]" 1
484 1 28 VAL MG1 1 40 GLU HA 4.713 . 7.490 4.770 4.470 5.072 . 0 0 "[ . 1]" 1
485 1 28 VAL MG1 1 40 GLU HB2 3.436 . 4.912 2.866 2.190 3.198 . 0 0 "[ . 1]" 1
486 1 28 VAL MG1 1 40 GLU HB3 3.551 . 5.127 2.601 2.259 2.936 . 0 0 "[ . 1]" 1
487 1 28 VAL MG1 1 40 GLU HG2 3.342 . 4.738 2.933 2.330 3.638 . 0 0 "[ . 1]" 1
488 1 28 VAL MG2 1 29 LEU HA 3.073 . 4.253 3.746 3.667 3.886 . 0 0 "[ . 1]" 1
489 1 28 VAL MG2 1 29 LEU HB3 3.752 . 5.512 5.582 5.494 5.645 0.133 2 0 "[ . 1]" 1
490 1 28 VAL MG2 1 31 ALA MB 2.541 . 3.348 3.112 2.970 3.214 . 0 0 "[ . 1]" 1
491 1 28 VAL MG2 1 34 GLY HA2 2.573 . 3.400 2.659 2.498 2.831 . 0 0 "[ . 1]" 1
492 1 28 VAL MG2 1 34 GLY HA3 3.140 . 4.373 3.442 3.307 3.528 . 0 0 "[ . 1]" 1
493 1 28 VAL MG2 1 35 SER HA 3.151 . 4.392 4.158 3.969 4.342 . 0 0 "[ . 1]" 1
494 1 28 VAL MG2 1 36 ILE MD 2.659 . 3.543 3.479 3.329 3.609 0.066 4 0 "[ . 1]" 1
495 1 29 LEU HA 1 29 LEU HB2 2.350 . 3.040 2.684 2.655 2.718 . 0 0 "[ . 1]" 1
496 1 29 LEU HA 1 29 LEU HB2 2.150 . 2.728 1.968 1.928 2.010 . 0 0 "[ . 1]" 1
497 1 29 LEU HA 1 29 LEU HB3 2.322 . 2.996 2.975 2.958 2.987 . 0 0 "[ . 1]" 1
498 1 29 LEU HA 1 29 LEU MD1 2.393 . 3.109 3.071 2.845 3.191 0.082 4 0 "[ . 1]" 1
499 1 29 LEU HA 1 29 LEU HG 2.615 . 3.470 2.025 1.974 2.076 . 0 0 "[ . 1]" 1
500 1 29 LEU HB2 1 29 LEU MD1 2.235 . 2.859 2.046 1.941 2.119 . 0 0 "[ . 1]" 1
501 1 29 LEU HB2 1 29 LEU MD2 2.163 . 2.748 2.929 2.854 2.972 0.224 9 0 "[ . 1]" 1
502 1 29 LEU HB2 1 29 LEU MD2 2.196 . 2.799 2.085 2.065 2.104 . 0 0 "[ . 1]" 1
503 1 29 LEU HB3 1 29 LEU MD1 2.252 . 2.886 2.886 2.816 2.965 0.079 2 0 "[ . 1]" 1
504 1 29 LEU HB3 1 29 LEU MD2 2.209 . 2.819 2.003 1.876 2.129 . 0 0 "[ . 1]" 1
505 1 30 GLY HA3 1 31 ALA HA 2.884 . 3.924 3.941 3.928 3.952 0.028 1 0 "[ . 1]" 1
506 1 31 ALA HA 1 31 ALA MB 1.978 . 2.467 2.138 2.110 2.151 . 0 0 "[ . 1]" 1
507 1 31 ALA HA 1 32 GLU QB 3.234 . 4.542 4.333 4.097 4.418 . 0 0 "[ . 1]" 1
508 1 31 ALA HA 1 32 GLU QG 3.175 . 4.435 3.735 3.331 4.294 . 0 0 "[ . 1]" 1
509 1 31 ALA HA 1 40 GLU HG2 4.067 . 6.134 4.036 3.545 4.857 . 0 0 "[ . 1]" 1
510 1 31 ALA MB 1 34 GLY HA2 2.642 . 3.514 1.957 1.827 2.186 . 0 0 "[ . 1]" 1
511 1 31 ALA MB 1 34 GLY HA3 2.787 . 3.758 3.462 3.347 3.619 . 0 0 "[ . 1]" 1
512 1 31 ALA MB 1 35 SER HA 3.319 . 4.696 4.820 4.733 4.881 0.185 10 0 "[ . 1]" 1
513 1 31 ALA MB 1 35 SER HB2 4.521 . 7.076 5.797 5.658 5.883 . 0 0 "[ . 1]" 1
514 1 31 ALA MB 1 40 GLU HA 3.422 . 4.885 5.008 4.874 5.132 0.247 6 0 "[ . 1]" 1
515 1 31 ALA MB 1 40 GLU HG2 2.639 . 3.509 2.429 1.980 3.521 0.012 1 0 "[ . 1]" 1
516 1 31 ALA MB 1 40 GLU HG3 2.596 . 3.438 2.971 2.274 3.348 . 0 0 "[ . 1]" 1
517 1 32 GLU HA 1 32 GLU QB 1.896 . 2.345 2.391 2.362 2.406 0.061 5 0 "[ . 1]" 1
518 1 32 GLU HA 1 32 GLU QG 2.170 . 2.759 2.328 2.164 2.700 . 0 0 "[ . 1]" 1
519 1 32 GLU HA 1 33 ASP HA 3.332 . 4.720 4.642 4.597 4.695 . 0 0 "[ . 1]" 1
520 1 32 GLU QB 1 33 ASP HB3 3.159 . 4.406 4.174 3.738 4.553 0.147 7 0 "[ . 1]" 1
521 1 33 ASP HA 1 33 ASP HB2 2.180 . 2.774 2.484 2.414 2.609 . 0 0 "[ . 1]" 1
522 1 34 GLY HA2 1 35 SER HA 2.819 . 3.812 3.630 3.460 3.804 . 0 0 "[ . 1]" 1
523 1 35 SER HA 1 35 SER HB2 2.448 . 3.197 2.399 2.359 2.464 . 0 0 "[ . 1]" 1
524 1 35 SER HA 1 35 SER HB3 2.397 . 3.115 2.513 2.434 2.550 . 0 0 "[ . 1]" 1
525 1 35 SER HA 1 36 ILE HA 3.329 . 4.714 4.359 4.344 4.386 . 0 0 "[ . 1]" 1
526 1 35 SER HA 1 71 THR MG 3.205 . 4.489 4.533 4.352 4.612 0.123 1 0 "[ . 1]" 1
527 1 35 SER HA 1 73 ASP HA 2.533 . 3.335 2.523 2.271 2.831 . 0 0 "[ . 1]" 1
528 1 35 SER HA 1 73 ASP HB2 3.187 . 4.456 4.494 3.925 4.814 0.358 4 0 "[ . 1]" 1
529 1 35 SER HA 1 73 ASP HB3 3.268 . 4.603 4.140 3.678 4.615 0.012 6 0 "[ . 1]" 1
530 1 35 SER HB2 1 71 THR HA 3.059 . 4.229 3.894 3.841 3.968 . 0 0 "[ . 1]" 1
531 1 35 SER HB2 1 71 THR HB 2.427 . 3.163 1.744 1.693 1.826 . 0 0 "[ . 1]" 1
532 1 35 SER HB2 1 71 THR MG 2.532 . 3.333 3.175 3.012 3.266 . 0 0 "[ . 1]" 1
533 1 35 SER HB2 1 73 ASP HA 3.079 . 4.264 3.749 3.355 4.067 . 0 0 "[ . 1]" 1
534 1 35 SER HB2 1 73 ASP HB2 4.265 . 6.538 4.857 3.943 5.421 . 0 0 "[ . 1]" 1
535 1 35 SER HB2 1 73 ASP HB3 4.062 . 6.124 4.610 3.651 5.385 . 0 0 "[ . 1]" 1
536 1 35 SER HB3 1 71 THR HB 2.379 . 3.087 3.259 3.195 3.370 0.283 10 0 "[ . 1]" 1
537 1 35 SER HB3 1 73 ASP HA 3.098 . 4.297 4.288 3.860 4.398 0.101 7 0 "[ . 1]" 1
538 1 36 ILE HA 1 36 ILE HB 2.841 . 3.850 3.017 3.009 3.025 . 0 0 "[ . 1]" 1
539 1 36 ILE HA 1 36 ILE MD 3.056 . 4.223 3.824 3.807 3.851 . 0 0 "[ . 1]" 1
540 1 36 ILE HA 1 36 ILE HG12 2.512 . 3.301 2.564 2.526 2.636 . 0 0 "[ . 1]" 1
541 1 36 ILE HA 1 36 ILE HG13 2.733 . 3.667 2.860 2.817 2.889 . 0 0 "[ . 1]" 1
542 1 36 ILE HA 1 36 ILE MG 2.217 . 2.831 2.350 2.313 2.399 . 0 0 "[ . 1]" 1
543 1 36 ILE HA 1 37 SER HA 4.133 . 6.269 4.422 4.407 4.443 . 0 0 "[ . 1]" 1
544 1 36 ILE HA 1 40 GLU HB2 2.526 . 3.323 2.514 2.226 2.800 . 0 0 "[ . 1]" 1
545 1 36 ILE HA 1 40 GLU HB3 2.524 . 3.320 2.803 2.663 2.922 . 0 0 "[ . 1]" 1
546 1 36 ILE HA 1 40 GLU HG2 2.865 . 3.891 3.723 3.329 4.084 0.193 1 0 "[ . 1]" 1
547 1 36 ILE HA 1 40 GLU HG3 3.766 . 5.539 4.506 3.331 5.020 . 0 0 "[ . 1]" 1
548 1 36 ILE HA 1 71 THR HA 3.396 . 4.838 4.926 4.832 5.002 0.164 9 0 "[ . 1]" 1
549 1 36 ILE HB 1 36 ILE MD 2.791 . 3.765 2.243 2.174 2.343 . 0 0 "[ . 1]" 1
550 1 36 ILE HB 1 36 ILE HG13 2.953 . 4.043 2.528 2.505 2.549 . 0 0 "[ . 1]" 1
551 1 36 ILE HB 1 61 ILE MD 3.485 . 5.003 4.418 3.701 4.912 . 0 0 "[ . 1]" 1
552 1 36 ILE HB 1 72 VAL MG1 2.157 . 2.739 1.739 1.691 1.779 . 0 0 "[ . 1]" 1
553 1 36 ILE HB 1 72 VAL MG2 2.664 . 3.551 2.358 2.140 2.675 . 0 0 "[ . 1]" 1
554 1 36 ILE MD 1 36 ILE HG13 2.363 . 3.061 2.122 2.106 2.151 . 0 0 "[ . 1]" 1
555 1 36 ILE MD 1 36 ILE MG 2.055 . 2.583 1.987 1.854 2.150 . 0 0 "[ . 1]" 1
556 1 36 ILE MD 1 72 VAL HB 3.125 . 4.346 4.502 4.377 4.566 0.220 1 0 "[ . 1]" 1
557 1 36 ILE MD 1 72 VAL MG1 2.616 . 3.472 2.764 2.445 2.972 . 0 0 "[ . 1]" 1
558 1 36 ILE MD 1 72 VAL MG2 2.967 . 4.068 1.930 1.806 2.100 0.060 5 0 "[ . 1]" 1
559 1 36 ILE MD 1 77 PHE HB3 3.616 . 5.250 2.411 2.196 2.759 . 0 0 "[ . 1]" 1
560 1 36 ILE MD 1 77 PHE HD1 3.016 . 4.153 3.775 3.554 4.051 . 0 0 "[ . 1]" 1
561 1 36 ILE MD 1 77 PHE HE1 3.821 . 5.646 5.260 5.069 5.500 . 0 0 "[ . 1]" 1
562 1 36 ILE HG12 1 36 ILE MG 3.656 . 5.327 2.326 2.225 2.402 . 0 0 "[ . 1]" 1
563 1 36 ILE HG13 1 36 ILE MG 2.917 . 3.981 3.189 3.177 3.207 . 0 0 "[ . 1]" 1
564 1 36 ILE MG 1 37 SER HA 3.382 . 4.812 3.892 3.821 4.008 . 0 0 "[ . 1]" 1
565 1 36 ILE MG 1 37 SER HB2 3.697 . 5.405 5.477 5.126 5.574 0.169 4 0 "[ . 1]" 1
566 1 36 ILE MG 1 40 GLU HA 3.258 . 4.585 4.667 4.563 4.781 0.196 7 0 "[ . 1]" 1
567 1 36 ILE MG 1 40 GLU HB2 2.470 . 3.233 2.982 2.709 3.253 0.020 5 0 "[ . 1]" 1
568 1 36 ILE MG 1 40 GLU HB3 2.488 . 3.261 3.128 2.947 3.304 0.043 3 0 "[ . 1]" 1
569 1 36 ILE MG 1 40 GLU HG2 3.494 . 5.020 4.827 4.627 4.996 . 0 0 "[ . 1]" 1
570 1 36 ILE MG 1 40 GLU HG3 3.651 . 5.317 5.147 4.667 5.401 0.084 10 0 "[ . 1]" 1
571 1 36 ILE MG 1 41 LEU HA 2.396 . 3.113 2.556 2.427 2.721 . 0 0 "[ . 1]" 1
572 1 36 ILE MG 1 41 LEU HB2 2.424 . 3.159 2.206 1.942 2.599 . 0 0 "[ . 1]" 1
573 1 36 ILE MG 1 61 ILE HA 3.169 . 4.425 4.692 4.506 4.830 0.405 6 0 "[ . 1]" 1
574 1 36 ILE MG 1 71 THR HA 3.775 . 5.556 4.269 4.206 4.423 . 0 0 "[ . 1]" 1
575 1 37 SER HA 1 37 SER HB2 2.259 . 2.897 2.387 2.274 2.517 . 0 0 "[ . 1]" 1
576 1 37 SER HA 1 37 SER HB3 2.122 . 2.685 2.611 2.413 3.016 0.331 5 0 "[ . 1]" 1
577 1 37 SER HA 1 38 THR MG 3.390 . 4.826 3.871 3.724 4.105 . 0 0 "[ . 1]" 1
578 1 37 SER HA 1 61 ILE MD 2.680 . 3.578 2.276 2.149 2.491 . 0 0 "[ . 1]" 1
579 1 37 SER HA 1 61 ILE MD 2.506 . 3.291 2.221 2.101 2.387 . 0 0 "[ . 1]" 1
580 1 37 SER HA 1 61 ILE MG 3.837 . 5.677 3.219 2.676 3.590 . 0 0 "[ . 1]" 1
581 1 37 SER HA 1 71 THR HA 2.463 . 3.221 2.215 1.952 2.386 . 0 0 "[ . 1]" 1
582 1 37 SER HA 1 71 THR HB 3.093 . 4.289 4.024 3.874 4.166 . 0 0 "[ . 1]" 1
583 1 37 SER HA 1 71 THR MG 2.405 . 3.128 2.053 1.848 2.240 . 0 0 "[ . 1]" 1
584 1 37 SER HB2 1 61 ILE MD 3.300 . 4.661 3.812 3.497 4.323 . 0 0 "[ . 1]" 1
585 1 37 SER HB2 1 61 ILE MD 3.424 . 4.890 3.644 3.405 4.125 . 0 0 "[ . 1]" 1
586 1 37 SER HB2 1 71 THR HB 3.705 . 5.421 4.910 4.050 5.359 . 0 0 "[ . 1]" 1
587 1 37 SER HB2 1 71 THR HA 3.634 . 5.284 4.076 3.665 4.464 . 0 0 "[ . 1]" 1
588 1 37 SER HB2 1 71 THR MG 2.529 . 3.328 2.311 1.770 2.848 . 0 0 "[ . 1]" 1
589 1 37 SER HB3 1 61 ILE MD 2.822 . 3.818 3.459 3.328 3.707 . 0 0 "[ . 1]" 1
590 1 37 SER HB3 1 61 ILE MD 3.572 . 5.167 4.152 3.981 4.346 . 0 0 "[ . 1]" 1
591 1 37 SER HB3 1 61 ILE MG 3.047 . 4.208 2.322 1.846 2.563 0.040 6 0 "[ . 1]" 1
592 1 37 SER HB3 1 71 THR HA 3.496 . 5.024 3.982 3.599 5.054 0.030 5 0 "[ . 1]" 1
593 1 37 SER HB3 1 71 THR MG 2.255 . 2.891 1.927 1.714 3.135 0.244 5 0 "[ . 1]" 1
594 1 38 THR HA 1 38 THR HB 2.241 . 2.869 2.619 2.542 2.726 . 0 0 "[ . 1]" 1
595 1 38 THR HA 1 38 THR MG 2.200 . 2.805 2.073 1.986 2.289 . 0 0 "[ . 1]" 1
596 1 38 THR HA 1 38 THR MG 2.142 . 2.715 1.750 1.676 1.938 . 0 0 "[ . 1]" 1
597 1 38 THR HA 1 39 LYS HA 3.374 . 4.797 4.253 4.229 4.285 . 0 0 "[ . 1]" 1
598 1 38 THR HA 1 41 LEU HB2 3.070 . 4.248 3.241 2.857 3.568 . 0 0 "[ . 1]" 1
599 1 38 THR HA 1 41 LEU HB3 2.521 . 3.315 2.511 2.414 2.704 . 0 0 "[ . 1]" 1
600 1 38 THR HA 1 57 LEU HB2 2.798 . 3.777 3.736 3.377 3.870 0.093 1 0 "[ . 1]" 1
601 1 38 THR HA 1 57 LEU HB2 3.619 . 5.256 3.573 3.294 3.717 . 0 0 "[ . 1]" 1
602 1 38 THR HA 1 57 LEU HB3 3.675 . 5.363 2.507 2.186 2.660 . 0 0 "[ . 1]" 1
603 1 38 THR HA 1 57 LEU MD1 2.558 . 3.376 3.272 2.963 3.511 0.135 9 0 "[ . 1]" 1
604 1 38 THR HA 1 57 LEU MD2 3.085 . 4.275 3.696 2.845 4.160 . 0 0 "[ . 1]" 1
605 1 38 THR HA 1 57 LEU HG 2.785 . 3.754 3.122 1.820 3.874 0.120 7 0 "[ . 1]" 1
606 1 38 THR HA 1 61 ILE HG13 3.352 . 4.757 2.606 2.419 3.008 . 0 0 "[ . 1]" 1
607 1 38 THR HA 1 61 ILE MG 2.831 . 3.833 3.665 3.480 3.870 0.037 2 0 "[ . 1]" 1
608 1 38 THR HA 1 61 ILE MD 2.336 . 3.018 2.035 1.776 2.779 . 0 0 "[ . 1]" 1
609 1 38 THR HA 1 61 ILE HG13 2.992 . 4.111 2.941 2.541 3.535 . 0 0 "[ . 1]" 1
610 1 38 THR HB 1 38 THR MG 2.105 . 2.659 2.112 2.098 2.142 . 0 0 "[ . 1]" 1
611 1 38 THR HB 1 39 LYS QE 2.832 . 3.834 3.419 2.008 3.904 0.070 4 0 "[ . 1]" 1
612 1 38 THR HB 1 39 LYS HG2 3.316 . 4.691 4.447 3.665 4.773 0.082 8 0 "[ . 1]" 1
613 1 38 THR HB 1 41 LEU HB3 3.086 . 4.277 4.323 4.084 4.463 0.186 4 0 "[ . 1]" 1
614 1 38 THR HB 1 57 LEU HB2 2.572 . 3.399 2.708 2.231 3.073 . 0 0 "[ . 1]" 1
615 1 38 THR HB 1 57 LEU HB3 2.621 . 3.480 2.927 2.218 3.301 . 0 0 "[ . 1]" 1
616 1 38 THR HB 1 57 LEU MD1 2.605 . 3.453 3.017 2.583 3.458 0.005 6 0 "[ . 1]" 1
617 1 38 THR HB 1 57 LEU MD2 2.579 . 3.411 3.610 3.473 4.005 0.594 8 1 "[ . + 1]" 1
618 1 38 THR MG 1 57 LEU MD1 2.414 . 3.143 3.397 3.238 3.546 0.403 1 0 "[ . 1]" 1
619 1 38 THR MG 1 41 LEU HB3 2.625 . 3.486 3.651 3.569 3.800 0.314 8 0 "[ . 1]" 1
620 1 38 THR MG 1 41 LEU MD1 2.133 . 2.702 2.034 1.635 2.904 0.202 8 0 "[ . 1]" 1
621 1 38 THR MG 1 54 PRO HA 3.607 . 5.233 3.116 2.899 3.567 . 0 0 "[ . 1]" 1
622 1 38 THR MG 1 55 GLU HA 2.800 . 3.780 3.447 3.314 3.662 . 0 0 "[ . 1]" 1
623 1 38 THR MG 1 57 LEU HA 3.076 . 4.259 3.563 3.376 3.790 . 0 0 "[ . 1]" 1
624 1 38 THR MG 1 57 LEU HB2 2.730 . 3.662 2.332 2.002 2.792 . 0 0 "[ . 1]" 1
625 1 38 THR MG 1 57 LEU HB3 2.612 . 3.465 2.108 1.858 2.466 . 0 0 "[ . 1]" 1
626 1 38 THR MG 1 58 GLN HA 2.351 . 3.042 1.894 1.775 2.091 . 0 0 "[ . 1]" 1
627 1 38 THR MG 1 58 GLN QB 2.137 . 2.708 2.511 2.154 3.022 0.314 4 0 "[ . 1]" 1
628 1 38 THR MG 1 58 GLN HG2 2.748 . 3.692 3.533 2.162 4.061 0.369 8 0 "[ . 1]" 1
629 1 38 THR MG 1 58 GLN HG3 2.768 . 3.726 3.011 2.235 3.713 . 0 0 "[ . 1]" 1
630 1 38 THR MG 1 61 ILE HA 3.484 . 5.002 4.741 4.591 4.996 . 0 0 "[ . 1]" 1
631 1 38 THR MG 1 61 ILE HA 3.160 . 4.408 4.202 3.952 4.434 0.026 9 0 "[ . 1]" 1
632 1 38 THR MG 1 61 ILE HB 2.948 . 4.034 3.064 2.815 3.248 . 0 0 "[ . 1]" 1
633 1 38 THR MG 1 61 ILE HG13 2.215 . 2.828 1.919 1.768 2.600 . 0 0 "[ . 1]" 1
634 1 38 THR MG 1 61 ILE MG 2.576 . 3.405 3.439 3.268 3.609 0.204 9 0 "[ . 1]" 1
635 1 39 LYS HA 1 39 LYS HB2 2.278 . 2.927 2.994 2.945 3.032 0.105 3 0 "[ . 1]" 1
636 1 39 LYS HA 1 39 LYS HG2 2.517 . 3.309 2.401 1.983 3.130 . 0 0 "[ . 1]" 1
637 1 39 LYS HA 1 39 LYS HG3 2.808 . 3.794 3.412 2.934 3.677 . 0 0 "[ . 1]" 1
638 1 39 LYS HB2 1 39 LYS HG2 2.484 . 3.255 2.746 2.440 3.037 . 0 0 "[ . 1]" 1
639 1 39 LYS HB2 1 39 LYS HG3 2.610 . 3.462 2.366 2.258 2.507 . 0 0 "[ . 1]" 1
640 1 39 LYS HB3 1 39 LYS HG2 1.892 . 2.339 2.304 2.134 2.412 0.073 7 0 "[ . 1]" 1
641 1 39 LYS HB3 1 39 LYS HG3 2.371 . 3.074 2.743 2.435 3.032 . 0 0 "[ . 1]" 1
642 1 39 LYS QE 1 39 LYS HG2 1.935 . 2.403 1.992 1.759 2.205 . 0 0 "[ . 1]" 1
643 1 40 GLU HA 1 40 GLU HB2 2.451 . 3.202 2.997 2.958 3.023 . 0 0 "[ . 1]" 1
644 1 40 GLU HA 1 40 GLU HB2 2.132 . 2.700 2.339 2.106 2.878 0.178 1 0 "[ . 1]" 1
645 1 40 GLU HA 1 40 GLU HB3 2.544 . 3.353 2.582 2.499 2.671 . 0 0 "[ . 1]" 1
646 1 40 GLU HA 1 40 GLU HG2 2.779 . 3.744 3.452 3.085 3.610 . 0 0 "[ . 1]" 1
647 1 40 GLU HA 1 40 GLU HG3 2.638 . 3.508 2.535 2.151 3.615 0.107 1 0 "[ . 1]" 1
648 1 40 GLU HA 1 43 LYS QB 2.438 . 3.181 2.912 2.332 3.478 0.297 1 0 "[ . 1]" 1
649 1 40 GLU HA 1 43 LYS QD 2.688 . 3.591 3.524 3.166 3.670 0.079 8 0 "[ . 1]" 1
650 1 40 GLU HA 1 43 LYS QE 2.564 . 3.386 2.880 2.151 3.394 0.008 4 0 "[ . 1]" 1
651 1 40 GLU HB3 1 40 GLU HG3 2.260 . 2.899 2.491 2.337 2.630 . 0 0 "[ . 1]" 1
652 1 41 LEU HA 1 41 LEU HB2 2.605 . 3.453 2.547 2.473 2.595 . 0 0 "[ . 1]" 1
653 1 41 LEU HA 1 41 LEU HB3 2.635 . 3.503 3.019 2.998 3.033 . 0 0 "[ . 1]" 1
654 1 41 LEU HA 1 41 LEU HB3 3.039 . 4.193 2.130 2.071 2.224 . 0 0 "[ . 1]" 1
655 1 41 LEU HA 1 41 LEU MD1 2.728 . 3.658 3.269 2.932 3.474 . 0 0 "[ . 1]" 1
656 1 41 LEU HA 1 41 LEU MD2 2.522 . 3.317 3.368 3.141 3.604 0.287 8 0 "[ . 1]" 1
657 1 41 LEU HA 1 44 VAL MG1 3.517 . 5.063 4.705 4.289 5.017 . 0 0 "[ . 1]" 1
658 1 41 LEU HA 1 44 VAL MG2 3.412 . 4.867 4.484 4.174 4.750 . 0 0 "[ . 1]" 1
659 1 41 LEU HA 1 44 VAL MG2 3.178 . 4.441 3.799 3.470 3.947 . 0 0 "[ . 1]" 1
660 1 41 LEU HB2 1 61 ILE MD 2.160 . 2.743 2.474 1.820 2.853 0.110 7 0 "[ . 1]" 1
661 1 41 LEU HB3 1 41 LEU MD1 2.667 . 3.556 2.518 2.344 2.669 . 0 0 "[ . 1]" 1
662 1 41 LEU HB3 1 61 ILE MD 2.493 . 3.270 2.881 2.494 3.209 . 0 0 "[ . 1]" 1
663 1 41 LEU MD1 1 45 MET QG 3.043 . 4.200 4.153 3.937 4.254 0.054 1 0 "[ . 1]" 1
664 1 41 LEU MD1 1 60 MET ME 2.539 . 3.345 2.750 1.682 3.420 0.075 1 0 "[ . 1]" 1
665 1 41 LEU MD1 1 60 MET QG 3.863 . 5.728 3.709 2.823 4.238 . 0 0 "[ . 1]" 1
666 1 41 LEU MD1 1 61 ILE HG13 2.194 . 2.796 2.089 1.881 2.133 . 0 0 "[ . 1]" 1
667 1 41 LEU MD2 1 42 GLY HA2 3.622 . 5.262 3.017 2.561 3.510 . 0 0 "[ . 1]" 1
668 1 41 LEU MD2 1 42 GLY HA3 3.390 . 4.826 3.958 3.440 4.517 . 0 0 "[ . 1]" 1
669 1 41 LEU MD2 1 44 VAL HB 2.587 . 3.423 3.054 1.640 3.599 0.176 1 0 "[ . 1]" 1
670 1 41 LEU MD2 1 61 ILE HG12 2.872 . 3.903 3.349 2.791 3.796 . 0 0 "[ . 1]" 1
671 1 41 LEU MD2 1 61 ILE HG13 2.963 . 4.060 3.774 3.421 4.061 0.001 1 0 "[ . 1]" 1
672 1 42 GLY HA2 1 45 MET QB 2.997 . 4.120 1.867 1.820 1.937 0.054 1 0 "[ . 1]" 1
673 1 42 GLY HA2 1 45 MET ME 2.813 . 3.802 2.773 2.443 3.101 . 0 0 "[ . 1]" 1
674 1 42 GLY HA2 1 45 MET QG 3.612 . 5.243 2.193 2.119 2.301 . 0 0 "[ . 1]" 1
675 1 42 GLY HA2 1 50 GLN HB3 3.648 . 5.312 5.465 5.362 5.562 0.250 10 0 "[ . 1]" 1
676 1 42 GLY HA2 1 57 LEU MD1 2.683 . 3.582 2.251 2.091 2.416 . 0 0 "[ . 1]" 1
677 1 42 GLY HA2 1 57 LEU MD2 2.427 . 3.163 2.575 2.492 2.668 . 0 0 "[ . 1]" 1
678 1 42 GLY HA3 1 45 MET QB 3.399 . 4.843 3.231 3.166 3.303 . 0 0 "[ . 1]" 1
679 1 42 GLY HA3 1 45 MET ME 3.161 . 4.410 3.396 3.097 4.126 . 0 0 "[ . 1]" 1
680 1 42 GLY HA3 1 45 MET QG 3.731 . 5.471 3.708 3.637 3.811 . 0 0 "[ . 1]" 1
681 1 42 GLY HA3 1 46 ARG HB3 3.331 . 4.718 4.294 4.005 4.695 . 0 0 "[ . 1]" 1
682 1 42 GLY HA3 1 52 PRO HD2 3.592 . 5.205 3.926 3.581 4.178 . 0 0 "[ . 1]" 1
683 1 42 GLY HA3 1 57 LEU MD1 2.242 . 2.870 1.987 1.877 2.148 . 0 0 "[ . 1]" 1
684 1 42 GLY HA3 1 57 LEU MD2 2.306 . 2.971 3.273 3.196 3.336 0.365 10 0 "[ . 1]" 1
685 1 43 LYS HA 1 43 LYS QB 1.723 . 2.094 2.223 2.182 2.276 0.182 7 0 "[ . 1]" 1
686 1 43 LYS HA 1 46 ARG HD3 3.167 . 4.421 3.301 2.507 4.391 . 0 0 "[ . 1]" 1
687 1 43 LYS QB 1 43 LYS QD 1.723 . 2.094 2.042 1.922 2.180 0.086 5 0 "[ . 1]" 1
688 1 43 LYS QB 1 43 LYS QD 1.718 . 2.087 2.020 1.887 2.162 0.075 5 0 "[ . 1]" 1
689 1 43 LYS QB 1 43 LYS QE 2.172 . 2.762 2.618 2.156 2.827 0.065 1 0 "[ . 1]" 1
690 1 43 LYS QB 1 44 VAL MG1 2.608 . 3.458 2.500 2.041 3.395 . 0 0 "[ . 1]" 1
691 1 43 LYS QD 1 47 MET ME 3.527 . 5.082 3.071 2.685 3.342 . 0 0 "[ . 1]" 1
692 1 43 LYS QD 1 44 VAL MG1 2.923 . 3.991 4.054 3.913 4.277 0.286 7 0 "[ . 1]" 1
693 1 43 LYS QE 1 44 VAL MG2 3.560 . 5.144 3.351 3.047 3.923 . 0 0 "[ . 1]" 1
694 1 44 VAL HA 1 44 VAL HB 2.487 . 3.260 3.013 2.971 3.033 . 0 0 "[ . 1]" 1
695 1 44 VAL HA 1 44 VAL MG1 2.394 . 3.111 2.530 2.434 2.714 . 0 0 "[ . 1]" 1
696 1 44 VAL HA 1 44 VAL MG2 2.282 . 2.933 2.192 1.939 2.280 . 0 0 "[ . 1]" 1
697 1 44 VAL HA 1 47 MET HA 3.289 . 4.641 4.778 4.732 4.821 0.180 6 0 "[ . 1]" 1
698 1 44 VAL HA 1 47 MET HB2 2.607 . 3.456 2.646 2.329 3.610 0.154 4 0 "[ . 1]" 1
699 1 44 VAL HA 1 47 MET HB3 2.599 . 3.443 3.457 2.062 3.914 0.471 8 0 "[ . 1]" 1
700 1 44 VAL HA 1 47 MET ME 2.641 . 3.513 1.959 1.774 2.414 . 0 0 "[ . 1]" 1
701 1 44 VAL HA 1 47 MET HG2 2.864 . 3.890 3.659 3.341 3.838 . 0 0 "[ . 1]" 1
702 1 44 VAL HA 1 47 MET HG3 2.876 . 3.910 2.437 1.959 4.076 0.166 4 0 "[ . 1]" 1
703 1 44 VAL HA 1 112 LEU MD2 2.709 . 3.626 3.785 3.709 3.894 0.268 4 0 "[ . 1]" 1
704 1 44 VAL HB 1 44 VAL MG1 2.127 . 2.692 2.124 2.114 2.136 . 0 0 "[ . 1]" 1
705 1 44 VAL HB 1 44 VAL MG2 2.214 . 2.827 2.136 2.105 2.149 . 0 0 "[ . 1]" 1
706 1 44 VAL HB 1 112 LEU MD2 2.831 . 3.833 4.030 3.948 4.084 0.251 6 0 "[ . 1]" 1
707 1 44 VAL MG1 1 44 VAL MG2 1.946 . 2.419 2.040 1.925 2.075 . 0 0 "[ . 1]" 1
708 1 44 VAL MG1 1 45 MET HA 3.228 . 4.531 3.190 3.093 3.274 . 0 0 "[ . 1]" 1
709 1 44 VAL MG1 1 45 MET QB 3.031 . 4.180 4.477 4.292 4.602 0.422 5 0 "[ . 1]" 1
710 1 44 VAL MG1 1 45 MET QG 2.770 . 3.729 3.539 3.185 3.775 0.046 5 0 "[ . 1]" 1
711 1 44 VAL MG1 1 47 MET ME 2.817 . 3.809 2.511 2.042 3.441 . 0 0 "[ . 1]" 1
712 1 44 VAL MG1 1 47 MET HG3 2.870 . 3.900 3.934 3.786 4.008 0.108 10 0 "[ . 1]" 1
713 1 44 VAL MG1 1 48 LEU MD1 2.488 . 3.262 2.786 2.355 3.583 0.321 9 0 "[ . 1]" 1
714 1 44 VAL MG1 1 48 LEU QD 2.055 . 2.583 2.258 1.886 2.434 . 0 0 "[ . 1]" 1
715 1 44 VAL MG1 1 103 ILE MD 3.387 . 4.821 3.094 2.623 3.963 . 0 0 "[ . 1]" 1
716 1 44 VAL MG1 1 108 MET ME 2.930 . 3.862 2.931 2.687 3.198 . 0 0 "[ . 1]" 1
717 1 44 VAL MG1 1 108 MET HG2 2.957 . 4.050 3.627 3.077 3.870 . 0 0 "[ . 1]" 1
718 1 44 VAL MG1 1 112 LEU MD1 2.790 . 3.763 2.515 1.831 2.923 . 0 0 "[ . 1]" 1
719 1 44 VAL MG2 1 45 MET QG 3.549 . 5.123 4.079 3.308 4.303 . 0 0 "[ . 1]" 1
720 1 44 VAL MG2 1 47 MET ME 2.677 . 3.573 1.833 1.719 2.021 0.062 8 0 "[ . 1]" 1
721 1 44 VAL MG2 1 108 MET ME 3.289 . 4.641 4.340 4.236 4.433 . 0 0 "[ . 1]" 1
722 1 44 VAL MG2 1 112 LEU MD1 3.277 . 4.620 3.105 2.205 3.397 . 0 0 "[ . 1]" 1
723 1 44 VAL MG2 1 112 LEU MD2 2.753 . 3.700 2.274 1.817 2.599 . 0 0 "[ . 1]" 1
724 1 45 MET HA 1 45 MET QB 2.472 . 3.236 2.419 2.404 2.431 . 0 0 "[ . 1]" 1
725 1 45 MET HA 1 45 MET QG 2.560 . 3.379 2.707 2.643 2.737 . 0 0 "[ . 1]" 1
726 1 45 MET HA 1 48 LEU HB2 3.020 . 4.160 3.373 3.235 3.573 . 0 0 "[ . 1]" 1
727 1 45 MET HA 1 48 LEU QD 2.392 . 3.107 2.930 2.261 3.166 0.059 1 0 "[ . 1]" 1
728 1 45 MET HA 1 48 LEU MD1 2.136 . 2.707 2.642 2.455 2.896 0.189 9 0 "[ . 1]" 1
729 1 45 MET HA 1 48 LEU HG 3.041 . 4.197 3.666 3.224 4.409 0.212 9 0 "[ . 1]" 1
730 1 45 MET HA 1 50 GLN QG 2.807 . 3.792 3.057 2.698 3.246 . 0 0 "[ . 1]" 1
731 1 45 MET HA 1 103 ILE MD 2.951 . 4.040 3.174 2.588 4.089 0.049 5 0 "[ . 1]" 1
732 1 45 MET QB 1 45 MET QG 2.305 . 2.969 2.034 2.030 2.040 . 0 0 "[ . 1]" 1
733 1 45 MET QB 1 52 PRO HD2 3.728 . 5.465 2.558 2.305 2.778 . 0 0 "[ . 1]" 1
734 1 45 MET QB 1 57 LEU MD2 2.725 . 3.653 3.400 3.267 3.497 . 0 0 "[ . 1]" 1
735 1 45 MET ME 1 45 MET QG 2.274 . 2.920 2.232 2.153 2.321 . 0 0 "[ . 1]" 1
736 1 45 MET ME 1 45 MET QG 2.240 . 2.867 2.157 2.083 2.242 . 0 0 "[ . 1]" 1
737 1 45 MET ME 1 50 GLN HA 3.549 . 5.123 4.132 3.886 4.434 . 0 0 "[ . 1]" 1
738 1 45 MET ME 1 50 GLN HB2 1.875 . 2.315 2.564 2.385 2.826 0.511 4 1 "[ +. 1]" 1
739 1 45 MET ME 1 50 GLN HB3 2.402 . 3.123 2.005 1.799 2.403 . 0 0 "[ . 1]" 1
740 1 45 MET ME 1 50 GLN QG 1.946 . 2.419 2.504 2.432 2.604 0.185 10 0 "[ . 1]" 1
741 1 45 MET ME 1 52 PRO HA 3.538 . 5.103 4.848 4.611 5.015 . 0 0 "[ . 1]" 1
742 1 45 MET ME 1 52 PRO HA 3.623 . 5.264 3.598 3.506 3.667 . 0 0 "[ . 1]" 1
743 1 45 MET ME 1 52 PRO HD2 3.172 . 4.430 3.560 3.089 3.888 . 0 0 "[ . 1]" 1
744 1 45 MET ME 1 52 PRO HD2 2.361 . 3.058 2.267 2.239 2.276 . 0 0 "[ . 1]" 1
745 1 45 MET ME 1 52 PRO HD3 2.838 . 3.845 2.722 2.218 2.996 . 0 0 "[ . 1]" 1
746 1 45 MET ME 1 52 PRO HD3 2.432 . 3.171 2.492 2.160 2.645 . 0 0 "[ . 1]" 1
747 1 45 MET ME 1 57 LEU MD2 1.980 . 2.470 2.068 1.833 2.416 . 0 0 "[ . 1]" 1
748 1 45 MET ME 1 57 LEU MD1 2.124 . 3.688 4.027 3.921 4.120 0.432 10 0 "[ . 1]" 1
749 1 45 MET ME 1 57 LEU MD2 2.496 . 3.275 2.591 2.372 2.763 . 0 0 "[ . 1]" 1
750 1 45 MET ME 1 60 MET QG 3.000 . 4.125 4.027 3.399 4.307 0.182 10 0 "[ . 1]" 1
751 1 45 MET ME 1 103 ILE HA 3.081 . 4.267 4.356 4.118 4.509 0.242 5 0 "[ . 1]" 1
752 1 45 MET QG 1 52 PRO HD2 3.204 . 4.487 3.892 3.419 4.219 . 0 0 "[ . 1]" 1
753 1 45 MET QG 1 52 PRO HD3 3.332 . 4.720 4.135 3.916 4.328 . 0 0 "[ . 1]" 1
754 1 45 MET QG 1 52 PRO HG2 2.944 . 4.027 2.938 2.396 3.183 . 0 0 "[ . 1]" 1
755 1 45 MET QG 1 52 PRO HG3 2.963 . 4.060 2.846 2.609 3.845 . 0 0 "[ . 1]" 1
756 1 45 MET QG 1 57 LEU MD1 2.380 . 3.088 3.241 3.161 3.379 0.291 8 0 "[ . 1]" 1
757 1 45 MET QG 1 57 LEU MD1 2.912 . 3.972 2.955 2.829 3.185 . 0 0 "[ . 1]" 1
758 1 45 MET QG 1 57 LEU MD2 2.425 . 3.160 2.247 2.122 2.368 . 0 0 "[ . 1]" 1
759 1 45 MET QG 1 61 ILE MD 3.380 . 4.808 4.550 3.675 5.018 0.210 1 0 "[ . 1]" 1
760 1 45 MET QG 1 103 ILE MD 3.452 . 4.941 3.433 3.141 3.897 . 0 0 "[ . 1]" 1
761 1 46 ARG HA 1 46 ARG HB2 2.488 . 3.262 3.021 3.002 3.029 . 0 0 "[ . 1]" 1
762 1 46 ARG HA 1 46 ARG HB2 2.168 . 2.755 2.602 2.363 2.767 0.012 8 0 "[ . 1]" 1
763 1 46 ARG HA 1 46 ARG HB3 2.410 . 3.136 2.522 2.490 2.569 . 0 0 "[ . 1]" 1
764 1 46 ARG HA 1 46 ARG HD2 3.540 . 5.106 4.608 3.985 4.779 . 0 0 "[ . 1]" 1
765 1 46 ARG HA 1 46 ARG HD3 3.468 . 4.972 4.567 4.465 4.691 . 0 0 "[ . 1]" 1
766 1 46 ARG HA 1 46 ARG HG2 2.413 . 3.141 2.482 2.250 2.832 . 0 0 "[ . 1]" 1
767 1 46 ARG HA 1 46 ARG HG3 2.510 . 3.298 2.864 2.467 3.207 . 0 0 "[ . 1]" 1
768 1 46 ARG HA 1 51 ASN HA 3.081 . 4.268 3.737 3.530 3.970 . 0 0 "[ . 1]" 1
769 1 46 ARG HB2 1 46 ARG HD3 2.656 . 3.538 2.597 2.339 3.641 0.103 8 0 "[ . 1]" 1
770 1 46 ARG HB2 1 46 ARG HD3 2.027 . 2.541 2.236 2.131 2.528 . 0 0 "[ . 1]" 1
771 1 46 ARG HB3 1 46 ARG HD3 2.663 . 3.550 3.108 2.811 3.589 0.039 8 0 "[ . 1]" 1
772 1 46 ARG HD2 1 46 ARG HG2 2.586 . 3.422 2.524 2.304 3.016 . 0 0 "[ . 1]" 1
773 1 46 ARG HD2 1 46 ARG HG3 2.607 . 3.457 2.505 2.408 2.980 . 0 0 "[ . 1]" 1
774 1 46 ARG HD2 1 51 ASN HA 3.185 . 4.453 3.860 3.661 4.562 0.109 3 0 "[ . 1]" 1
775 1 46 ARG HD3 1 46 ARG HG2 2.489 . 3.263 2.930 2.404 3.035 . 0 0 "[ . 1]" 1
776 1 46 ARG HD3 1 46 ARG HG3 2.570 . 3.395 2.501 2.294 2.963 . 0 0 "[ . 1]" 1
777 1 46 ARG HD3 1 51 ASN HA 3.693 . 5.398 4.793 3.953 5.301 . 0 0 "[ . 1]" 1
778 1 46 ARG HG2 1 51 ASN HA 2.535 . 3.338 2.535 2.262 2.819 . 0 0 "[ . 1]" 1
779 1 46 ARG HG3 1 51 ASN HA 3.434 . 4.908 3.048 2.309 3.683 . 0 0 "[ . 1]" 1
780 1 47 MET HA 1 47 MET HB2 2.218 . 2.833 2.871 2.271 3.025 0.192 3 0 "[ . 1]" 1
781 1 47 MET HA 1 47 MET HB3 2.607 . 3.457 2.567 2.506 2.723 . 0 0 "[ . 1]" 1
782 1 47 MET HA 1 47 MET HG2 2.643 . 3.516 2.476 2.196 3.555 0.039 7 0 "[ . 1]" 1
783 1 47 MET HA 1 47 MET HG3 2.556 . 3.373 3.345 3.247 3.577 0.204 4 0 "[ . 1]" 1
784 1 47 MET HA 1 48 LEU QD 3.458 . 4.952 4.321 3.730 4.664 . 0 0 "[ . 1]" 1
785 1 47 MET HB2 1 47 MET HG2 2.480 . 3.249 2.983 2.968 2.994 . 0 0 "[ . 1]" 1
786 1 47 MET HB2 1 47 MET HG3 2.259 . 2.897 2.297 2.277 2.316 . 0 0 "[ . 1]" 1
787 1 47 MET HB3 1 47 MET ME 2.553 . 3.368 2.384 2.216 2.561 . 0 0 "[ . 1]" 1
788 1 47 MET HB3 1 47 MET ME 2.200 . 2.805 2.166 2.026 2.263 . 0 0 "[ . 1]" 1
789 1 47 MET HB3 1 47 MET HG2 2.453 . 3.205 2.660 2.612 2.691 . 0 0 "[ . 1]" 1
790 1 47 MET HB3 1 47 MET HG3 2.163 . 2.748 2.966 2.954 2.978 0.230 8 0 "[ . 1]" 1
791 1 47 MET ME 1 47 MET HG2 2.751 . 3.697 3.323 3.307 3.339 . 0 0 "[ . 1]" 1
792 1 47 MET ME 1 47 MET HG3 2.591 . 3.430 2.410 2.334 2.464 . 0 0 "[ . 1]" 1
793 1 47 MET ME 1 48 LEU HA 3.508 . 5.046 5.098 4.951 5.238 0.192 4 0 "[ . 1]" 1
794 1 47 MET ME 1 112 LEU MD1 2.637 . 3.507 2.592 2.346 3.184 . 0 0 "[ . 1]" 1
795 1 47 MET ME 1 111 ALA MB 2.457 . 3.212 2.738 2.103 3.139 . 0 0 "[ . 1]" 1
796 1 47 MET ME 1 111 ALA MB 2.714 . 3.635 2.721 2.099 3.107 . 0 0 "[ . 1]" 1
797 1 47 MET ME 1 112 LEU HA 2.735 . 3.670 2.736 2.584 2.902 . 0 0 "[ . 1]" 1
798 1 47 MET ME 1 112 LEU MD2 2.545 . 3.355 2.020 1.699 2.313 0.036 8 0 "[ . 1]" 1
799 1 48 LEU HA 1 48 LEU HB2 2.640 . 3.511 3.016 3.000 3.025 . 0 0 "[ . 1]" 1
800 1 48 LEU HA 1 48 LEU HB3 2.593 . 3.433 2.404 2.328 2.465 . 0 0 "[ . 1]" 1
801 1 48 LEU HA 1 48 LEU HB3 2.075 . 2.613 2.341 2.280 2.426 . 0 0 "[ . 1]" 1
802 1 48 LEU HA 1 48 LEU MD1 2.661 . 3.546 3.379 1.780 3.831 0.285 6 0 "[ . 1]" 1
803 1 48 LEU HA 1 48 LEU QD 2.090 . 2.636 1.937 1.767 2.075 . 0 0 "[ . 1]" 1
804 1 48 LEU HA 1 48 LEU HG 2.739 . 3.677 3.254 3.063 3.631 . 0 0 "[ . 1]" 1
805 1 48 LEU HA 1 50 GLN QG 3.217 . 4.511 4.634 4.581 4.743 0.232 6 0 "[ . 1]" 1
806 1 48 LEU HA 1 111 ALA MB 2.732 . 3.665 3.397 3.161 3.705 0.040 4 0 "[ . 1]" 1
807 1 48 LEU HB2 1 48 LEU QD 2.280 . 2.930 2.260 2.087 2.391 . 0 0 "[ . 1]" 1
808 1 48 LEU HB2 1 108 MET HG3 2.767 . 3.724 3.835 3.145 4.004 0.280 5 0 "[ . 1]" 1
809 1 48 LEU HB3 1 48 LEU QD 2.061 . 2.592 2.131 2.034 2.409 . 0 0 "[ . 1]" 1
810 1 48 LEU HB3 1 48 LEU MD2 1.735 . 2.111 2.002 1.950 2.099 . 0 0 "[ . 1]" 1
811 1 48 LEU QD 1 48 LEU HG 1.958 . 2.437 1.896 1.872 1.907 . 0 0 "[ . 1]" 1
812 1 48 LEU QD 1 50 GLN QG 2.396 . 3.113 3.276 3.159 3.353 0.240 10 0 "[ . 1]" 1
813 1 48 LEU QD 1 105 ALA HA 3.039 . 4.194 4.185 3.866 4.316 0.122 5 0 "[ . 1]" 1
814 1 48 LEU QD 1 108 MET ME 2.467 . 3.228 2.513 2.125 3.179 . 0 0 "[ . 1]" 1
815 1 48 LEU QD 1 108 MET HA 2.133 . 2.702 1.669 1.563 1.902 0.001 10 0 "[ . 1]" 1
816 1 48 LEU QD 1 108 MET HG2 3.057 . 4.226 2.742 2.260 3.494 . 0 0 "[ . 1]" 1
817 1 48 LEU QD 1 108 MET HG3 2.746 . 3.689 2.028 1.737 3.354 0.066 5 0 "[ . 1]" 1
818 1 48 LEU QD 1 111 ALA MB 1.927 . 2.391 1.653 1.568 1.731 . 0 0 "[ . 1]" 1
819 1 48 LEU MD1 1 48 LEU HG 1.762 . 2.150 2.105 2.068 2.134 . 0 0 "[ . 1]" 1
820 1 48 LEU MD1 1 103 ILE HG12 2.150 . 2.728 2.199 2.119 2.285 . 0 0 "[ . 1]" 1
821 1 48 LEU MD1 1 103 ILE HG13 2.349 . 3.039 2.294 1.587 3.135 0.096 5 0 "[ . 1]" 1
822 1 48 LEU MD1 1 108 MET HG3 3.176 . 4.437 2.262 1.742 4.462 0.173 5 0 "[ . 1]" 1
823 1 48 LEU MD2 1 103 ILE HA 3.287 . 4.638 3.492 2.008 3.720 . 0 0 "[ . 1]" 1
824 1 48 LEU MD2 1 103 ILE HG13 1.864 . 2.299 1.839 1.607 2.613 0.314 9 0 "[ . 1]" 1
825 1 48 LEU MD2 1 108 MET HA 2.358 . 3.053 2.124 1.753 2.816 . 0 0 "[ . 1]" 1
826 1 48 LEU MD2 1 108 MET HG3 2.879 . 3.915 3.493 2.857 3.817 . 0 0 "[ . 1]" 1
827 1 49 GLY HA3 1 50 GLN HA 4.262 . 6.532 4.486 4.460 4.514 . 0 0 "[ . 1]" 1
828 1 50 GLN HA 1 50 GLN HB2 2.439 . 3.183 3.014 3.006 3.022 . 0 0 "[ . 1]" 1
829 1 50 GLN HA 1 50 GLN HB3 2.513 . 3.302 2.395 2.372 2.425 . 0 0 "[ . 1]" 1
830 1 50 GLN HA 1 50 GLN QG 2.424 . 3.159 2.980 2.725 3.116 . 0 0 "[ . 1]" 1
831 1 50 GLN HA 1 51 ASN HA 3.640 . 5.296 4.400 4.389 4.418 . 0 0 "[ . 1]" 1
832 1 50 GLN HA 1 51 ASN HB2 3.532 . 5.092 4.905 4.281 5.655 0.563 8 4 "[ -* +*1]" 1
833 1 50 GLN HA 1 52 PRO HD2 3.635 . 5.287 4.832 4.708 5.168 . 0 0 "[ . 1]" 1
834 1 50 GLN HA 1 52 PRO HD3 3.492 . 5.016 3.440 3.378 3.517 . 0 0 "[ . 1]" 1
835 1 50 GLN HB2 1 50 GLN QG 2.075 . 2.613 2.205 2.189 2.211 . 0 0 "[ . 1]" 1
836 1 50 GLN HB2 1 51 ASN HA 3.093 . 4.289 4.535 4.480 4.624 0.335 6 0 "[ . 1]" 1
837 1 50 GLN HB2 1 52 PRO HD2 2.647 . 3.523 3.676 3.521 4.109 0.586 6 1 "[ .+ 1]" 1
838 1 50 GLN HB2 1 52 PRO HD3 2.752 . 3.699 2.845 2.653 3.041 . 0 0 "[ . 1]" 1
839 1 50 GLN HB3 1 50 GLN QG 1.523 . 1.813 1.716 1.707 1.728 . 0 0 "[ . 1]" 1
840 1 50 GLN HB3 1 52 PRO HD3 2.278 . 2.927 2.200 2.108 2.359 . 0 0 "[ . 1]" 1
841 1 50 GLN HB3 1 52 PRO HD2 2.582 . 3.415 3.728 3.667 3.862 0.447 6 0 "[ . 1]" 1
842 1 51 ASN HA 1 51 ASN HB2 2.374 . 3.079 2.496 2.434 2.564 . 0 0 "[ . 1]" 1
843 1 51 ASN HA 1 51 ASN HB3 2.372 . 3.075 2.787 2.402 3.024 . 0 0 "[ . 1]" 1
844 1 51 ASN HA 1 52 PRO HA 3.546 . 5.118 4.669 4.656 4.682 . 0 0 "[ . 1]" 1
845 1 51 ASN HA 1 52 PRO HD2 2.358 . 3.053 2.433 2.302 2.786 . 0 0 "[ . 1]" 1
846 1 51 ASN HA 1 52 PRO HD3 2.414 . 3.142 2.910 2.534 2.995 . 0 0 "[ . 1]" 1
847 1 51 ASN HA 1 52 PRO HG2 3.589 . 5.199 4.594 4.446 4.853 . 0 0 "[ . 1]" 1
848 1 51 ASN HA 1 52 PRO HG3 3.318 . 4.694 4.869 4.661 4.925 0.231 9 0 "[ . 1]" 1
849 1 51 ASN HB2 1 52 PRO HD2 3.212 . 4.502 4.768 4.681 4.927 0.425 6 0 "[ . 1]" 1
850 1 51 ASN HB3 1 52 PRO HD2 3.483 . 4.999 4.921 4.789 5.173 0.174 6 0 "[ . 1]" 1
851 1 51 ASN HB3 1 52 PRO HD3 3.374 . 4.797 4.649 4.440 4.738 . 0 0 "[ . 1]" 1
852 1 52 PRO HA 1 52 PRO HB2 2.500 . 3.281 2.730 2.698 2.908 . 0 0 "[ . 1]" 1
853 1 52 PRO HA 1 52 PRO HB3 2.662 . 3.548 2.304 2.271 2.318 . 0 0 "[ . 1]" 1
854 1 52 PRO HA 1 52 PRO HD2 3.276 . 4.617 4.061 3.895 4.092 . 0 0 "[ . 1]" 1
855 1 52 PRO HA 1 52 PRO HD3 3.223 . 4.522 3.762 3.678 3.910 . 0 0 "[ . 1]" 1
856 1 52 PRO HA 1 52 PRO HG2 3.163 . 4.413 3.911 3.879 4.045 . 0 0 "[ . 1]" 1
857 1 52 PRO HA 1 52 PRO HG3 3.020 . 4.160 3.932 3.309 4.025 . 0 0 "[ . 1]" 1
858 1 52 PRO HB2 1 52 PRO HD3 3.117 . 4.331 3.986 3.938 4.014 . 0 0 "[ . 1]" 1
859 1 52 PRO HB2 1 52 PRO HG2 2.080 . 2.621 2.262 2.234 2.279 . 0 0 "[ . 1]" 1
860 1 52 PRO HB2 1 52 PRO HG3 2.104 . 2.657 2.698 2.658 2.923 0.266 6 0 "[ . 1]" 1
861 1 52 PRO HB2 1 57 LEU MD2 2.853 . 3.871 2.310 1.962 3.030 . 0 0 "[ . 1]" 1
862 1 52 PRO HB3 1 52 PRO HD2 2.395 . 3.112 2.731 2.686 2.899 . 0 0 "[ . 1]" 1
863 1 52 PRO HB3 1 52 PRO HD3 3.115 . 4.328 3.231 3.074 3.989 . 0 0 "[ . 1]" 1
864 1 52 PRO HB3 1 57 LEU MD1 2.976 . 4.083 4.128 4.024 4.352 0.269 10 0 "[ . 1]" 1
865 1 52 PRO HB3 1 57 LEU MD2 2.829 . 3.829 3.109 2.808 3.853 0.024 1 0 "[ . 1]" 1
866 1 52 PRO HD2 1 52 PRO HG2 2.728 . 3.658 2.298 2.287 2.334 . 0 0 "[ . 1]" 1
867 1 52 PRO HD2 1 52 PRO HG3 2.680 . 3.578 2.790 2.738 2.991 . 0 0 "[ . 1]" 1
868 1 52 PRO HD2 1 57 LEU MD1 3.117 . 4.332 3.377 2.991 3.663 . 0 0 "[ . 1]" 1
869 1 52 PRO HD2 1 57 LEU MD2 3.386 . 4.819 3.972 3.426 4.454 . 0 0 "[ . 1]" 1
870 1 52 PRO HD3 1 52 PRO HG2 2.681 . 3.579 2.933 2.687 2.975 . 0 0 "[ . 1]" 1
871 1 52 PRO HD3 1 52 PRO HG3 2.408 . 3.133 2.292 2.274 2.314 . 0 0 "[ . 1]" 1
872 1 52 PRO HD3 1 57 LEU MD1 2.987 . 4.102 4.432 4.326 4.595 0.493 8 0 "[ . 1]" 1
873 1 52 PRO HD3 1 57 LEU MD2 3.183 . 4.450 4.306 3.961 4.795 0.345 1 0 "[ . 1]" 1
874 1 52 PRO HG2 1 57 LEU MD2 2.777 . 3.741 2.195 1.874 2.667 . 0 0 "[ . 1]" 1
875 1 52 PRO HG3 1 57 LEU MD2 2.217 . 2.832 2.551 2.101 3.353 0.521 6 1 "[ .+ 1]" 1
876 1 53 THR HA 1 53 THR HB 2.438 . 3.181 2.471 2.448 2.498 . 0 0 "[ . 1]" 1
877 1 53 THR HA 1 53 THR MG 2.144 . 2.719 2.339 2.184 2.421 . 0 0 "[ . 1]" 1
878 1 53 THR HA 1 54 PRO HA 3.116 . 4.330 4.364 4.352 4.374 0.044 6 0 "[ . 1]" 1
879 1 53 THR HA 1 54 PRO QD 2.104 . 2.657 1.891 1.845 1.958 . 0 0 "[ . 1]" 1
880 1 53 THR HA 1 54 PRO HG2 3.177 . 4.439 4.527 4.477 4.596 0.157 10 0 "[ . 1]" 1
881 1 53 THR HA 1 54 PRO HG2 3.195 . 4.471 4.430 4.037 4.562 0.091 10 0 "[ . 1]" 1
882 1 53 THR HA 1 54 PRO HG3 3.043 . 4.201 4.078 4.011 4.147 . 0 0 "[ . 1]" 1
883 1 53 THR HB 1 53 THR MG 2.365 . 3.064 2.133 2.117 2.143 . 0 0 "[ . 1]" 1
884 1 53 THR HB 1 54 PRO QD 2.147 . 2.723 2.102 1.909 2.216 . 0 0 "[ . 1]" 1
885 1 53 THR HB 1 54 PRO HG2 3.252 . 4.574 4.471 4.249 4.592 0.018 5 0 "[ . 1]" 1
886 1 53 THR HB 1 54 PRO HG2 3.327 . 4.711 3.989 3.688 4.220 . 0 0 "[ . 1]" 1
887 1 53 THR MG 1 54 PRO QD 2.261 . 2.900 3.069 2.977 3.125 0.225 4 0 "[ . 1]" 1
888 1 54 PRO HA 1 54 PRO HB3 2.326 . 3.002 2.304 2.298 2.314 . 0 0 "[ . 1]" 1
889 1 54 PRO HA 1 54 PRO QD 2.905 . 3.960 3.378 3.364 3.403 . 0 0 "[ . 1]" 1
890 1 54 PRO HA 1 54 PRO HG2 2.688 . 3.591 3.910 3.894 3.921 0.330 3 0 "[ . 1]" 1
891 1 54 PRO HA 1 57 LEU HB2 2.909 . 3.967 2.135 2.064 2.212 . 0 0 "[ . 1]" 1
892 1 54 PRO HA 1 57 LEU HB3 2.528 . 3.327 3.598 3.414 3.689 0.362 6 0 "[ . 1]" 1
893 1 54 PRO HA 1 57 LEU MD1 2.510 . 3.297 2.800 2.574 3.048 . 0 0 "[ . 1]" 1
894 1 54 PRO HA 1 57 LEU MD2 3.347 . 4.747 4.689 4.511 4.835 0.088 10 0 "[ . 1]" 1
895 1 54 PRO HA 1 57 LEU HG 2.981 . 4.091 3.990 3.815 4.234 0.143 1 0 "[ . 1]" 1
896 1 54 PRO HB2 1 54 PRO QD 2.596 . 3.438 2.873 2.821 2.922 . 0 0 "[ . 1]" 1
897 1 54 PRO HB3 1 54 PRO QD 2.663 . 3.549 3.539 3.532 3.544 . 0 0 "[ . 1]" 1
898 1 54 PRO HB3 1 54 PRO HG2 2.113 . 2.671 2.630 2.616 2.641 . 0 0 "[ . 1]" 1
899 1 54 PRO QD 1 54 PRO HG2 2.255 . 2.891 2.202 2.192 2.209 . 0 0 "[ . 1]" 1
900 1 54 PRO QD 1 54 PRO HG3 2.205 . 2.813 2.248 2.240 2.254 . 0 0 "[ . 1]" 1
901 1 55 GLU HA 1 55 GLU HB3 2.046 . 2.569 2.581 2.507 2.994 0.425 7 0 "[ . 1]" 1
902 1 55 GLU HA 1 55 GLU QG 2.186 . 2.783 2.249 2.183 2.339 . 0 0 "[ . 1]" 1
903 1 55 GLU HA 1 58 GLN HA 3.792 . 5.590 5.624 5.495 5.730 0.140 4 0 "[ . 1]" 1
904 1 55 GLU HA 1 58 GLN QB 2.344 . 3.031 3.014 2.935 3.179 0.148 1 0 "[ . 1]" 1
905 1 55 GLU HA 1 58 GLN QB 1.897 . 2.347 2.304 2.276 2.326 . 0 0 "[ . 1]" 1
906 1 55 GLU HB2 1 55 GLU QG 2.191 . 2.791 2.446 2.342 2.516 . 0 0 "[ . 1]" 1
907 1 55 GLU HB3 1 55 GLU QG 2.129 . 2.696 2.240 2.172 2.367 . 0 0 "[ . 1]" 1
908 1 56 GLU HA 1 56 GLU HB2 2.273 . 2.919 2.791 2.347 3.016 0.097 8 0 "[ . 1]" 1
909 1 56 GLU HA 1 56 GLU HB3 2.261 . 2.900 2.771 2.529 3.019 0.119 6 0 "[ . 1]" 1
910 1 56 GLU HB3 1 56 GLU HG3 2.105 . 2.659 2.669 2.466 3.028 0.369 2 0 "[ . 1]" 1
911 1 57 LEU HA 1 57 LEU HB2 2.282 . 2.933 2.976 2.925 3.003 0.070 9 0 "[ . 1]" 1
912 1 57 LEU HA 1 57 LEU HB3 2.020 . 2.530 2.589 2.551 2.691 0.161 1 0 "[ . 1]" 1
913 1 57 LEU HA 1 57 LEU MD1 2.459 . 3.215 3.687 3.610 3.715 0.500 6 0 "[ . 1]" 1
914 1 57 LEU HA 1 57 LEU MD2 2.089 . 2.635 2.020 1.805 2.326 . 0 0 "[ . 1]" 1
915 1 57 LEU HA 1 57 LEU HG 2.357 . 3.051 2.619 2.210 2.871 . 0 0 "[ . 1]" 1
916 1 57 LEU HA 1 61 ILE MG 3.523 . 5.075 5.251 5.104 5.338 0.263 5 0 "[ . 1]" 1
917 1 57 LEU HA 1 60 MET ME 2.258 . 2.895 2.714 1.889 3.054 0.159 7 0 "[ . 1]" 1
918 1 57 LEU HB2 1 57 LEU MD1 2.513 . 3.302 2.303 2.239 2.395 . 0 0 "[ . 1]" 1
919 1 57 LEU HB2 1 57 LEU MD2 2.261 . 2.900 3.151 3.105 3.167 0.267 9 0 "[ . 1]" 1
920 1 57 LEU HB2 1 57 LEU HG 2.754 . 3.702 2.519 2.447 2.605 . 0 0 "[ . 1]" 1
921 1 57 LEU HB3 1 57 LEU MD1 2.087 . 2.632 2.338 2.235 2.502 . 0 0 "[ . 1]" 1
922 1 57 LEU HB3 1 57 LEU MD2 2.194 . 2.796 2.208 2.000 2.314 . 0 0 "[ . 1]" 1
923 1 57 LEU HB3 1 57 LEU HG 2.592 . 3.432 3.017 2.985 3.029 . 0 0 "[ . 1]" 1
924 1 57 LEU MD1 1 60 MET QG 3.019 . 4.158 4.320 4.198 4.453 0.295 4 0 "[ . 1]" 1
925 1 57 LEU MD2 1 57 LEU HG 1.969 . 2.454 2.108 2.103 2.114 . 0 0 "[ . 1]" 1
926 1 58 GLN HA 1 58 GLN QB 2.077 . 2.616 2.422 2.372 2.524 . 0 0 "[ . 1]" 1
927 1 58 GLN HA 1 58 GLN HG2 2.656 . 3.538 2.641 1.976 3.031 . 0 0 "[ . 1]" 1
928 1 58 GLN HA 1 58 GLN HG3 2.484 . 3.256 2.695 2.299 3.343 0.087 5 0 "[ . 1]" 1
929 1 58 GLN HA 1 61 ILE HB 2.398 . 3.117 2.589 2.376 2.936 . 0 0 "[ . 1]" 1
930 1 58 GLN HA 1 61 ILE MD 2.558 . 3.376 3.118 2.364 3.659 0.283 1 0 "[ . 1]" 1
931 1 58 GLN HA 1 61 ILE HG12 3.497 . 5.026 4.320 3.548 4.667 . 0 0 "[ . 1]" 1
932 1 58 GLN HA 1 61 ILE HG13 3.244 . 4.560 2.955 2.714 3.256 . 0 0 "[ . 1]" 1
933 1 58 GLN QB 1 58 GLN HG2 1.691 . 2.048 2.107 2.060 2.152 0.104 3 0 "[ . 1]" 1
934 1 58 GLN QB 1 58 GLN HG3 1.801 . 2.206 2.080 2.009 2.136 . 0 0 "[ . 1]" 1
935 1 59 GLU HA 1 62 ASP HB3 2.276 . 2.924 2.968 2.786 3.058 0.134 6 0 "[ . 1]" 1
936 1 60 MET HA 1 64 VAL MG2 3.114 . 4.326 4.147 4.048 4.338 0.012 4 0 "[ . 1]" 1
937 1 60 MET ME 1 60 MET QG 2.458 . 3.214 2.123 1.853 2.366 . 0 0 "[ . 1]" 1
938 1 60 MET QG 1 61 ILE MD 3.643 . 5.302 4.268 3.917 4.626 . 0 0 "[ . 1]" 1
939 1 60 MET QG 1 84 SER QB 3.077 . 4.261 3.663 3.038 4.478 0.217 4 0 "[ . 1]" 1
940 1 61 ILE HA 1 61 ILE HB 2.817 . 3.809 3.017 3.000 3.028 . 0 0 "[ . 1]" 1
941 1 61 ILE HA 1 61 ILE MD 2.470 . 3.233 3.158 1.976 3.654 0.421 7 0 "[ . 1]" 1
942 1 61 ILE HA 1 61 ILE MD 2.417 . 3.147 2.287 1.883 2.469 . 0 0 "[ . 1]" 1
943 1 61 ILE HA 1 61 ILE HG12 2.728 . 3.658 2.322 2.162 2.765 . 0 0 "[ . 1]" 1
944 1 61 ILE HA 1 61 ILE HG13 2.798 . 3.776 3.330 2.900 3.678 . 0 0 "[ . 1]" 1
945 1 61 ILE HA 1 61 ILE MG 2.351 . 3.042 2.367 2.297 2.451 . 0 0 "[ . 1]" 1
946 1 61 ILE HA 1 64 VAL MG2 2.480 . 3.249 3.031 2.700 3.267 0.018 1 0 "[ . 1]" 1
947 1 61 ILE HB 1 61 ILE MD 2.366 . 3.066 2.771 2.349 3.181 0.115 1 0 "[ . 1]" 1
948 1 61 ILE HB 1 61 ILE HG12 2.478 . 3.246 2.909 2.563 3.028 . 0 0 "[ . 1]" 1
949 1 61 ILE HB 1 61 ILE HG13 2.466 . 3.226 2.346 2.286 2.442 . 0 0 "[ . 1]" 1
950 1 61 ILE HB 1 61 ILE MG 2.038 . 2.557 2.137 2.111 2.153 . 0 0 "[ . 1]" 1
951 1 61 ILE HB 1 62 ASP HB2 3.003 . 4.131 4.276 4.196 4.348 0.217 7 0 "[ . 1]" 1
952 1 61 ILE MD 1 61 ILE HG12 2.382 . 3.091 2.128 2.109 2.141 . 0 0 "[ . 1]" 1
953 1 61 ILE MD 1 61 ILE HG13 2.322 . 2.996 2.134 2.122 2.142 . 0 0 "[ . 1]" 1
954 1 61 ILE MD 1 62 ASP HB3 3.205 . 4.489 4.816 4.678 4.936 0.447 9 0 "[ . 1]" 1
955 1 61 ILE MD 1 71 THR HA 2.526 . 3.323 2.357 2.220 2.460 . 0 0 "[ . 1]" 1
956 1 61 ILE MD 1 71 THR HB 3.083 . 4.271 4.270 4.153 4.397 0.126 6 0 "[ . 1]" 1
957 1 61 ILE MD 1 72 VAL HA 3.155 . 4.399 3.861 3.742 4.009 . 0 0 "[ . 1]" 1
958 1 61 ILE MD 1 71 THR HA 2.798 . 3.777 2.722 2.518 2.878 . 0 0 "[ . 1]" 1
959 1 61 ILE MD 1 71 THR HB 3.495 . 5.022 4.863 4.562 5.041 0.019 7 0 "[ . 1]" 1
960 1 61 ILE HG12 1 61 ILE MG 2.455 . 3.208 2.744 2.404 3.190 . 0 0 "[ . 1]" 1
961 1 61 ILE HG13 1 61 ILE MG 2.546 . 3.356 3.009 2.420 3.196 . 0 0 "[ . 1]" 1
962 1 61 ILE MG 1 62 ASP HA 2.567 . 3.391 3.188 2.999 3.384 . 0 0 "[ . 1]" 1
963 1 61 ILE MG 1 65 ASP HA 3.004 . 4.132 4.287 4.151 4.447 0.315 10 0 "[ . 1]" 1
964 1 61 ILE MG 1 65 ASP HB2 2.505 . 3.290 2.197 1.871 2.336 . 0 0 "[ . 1]" 1
965 1 61 ILE MG 1 65 ASP HB3 2.548 . 3.359 2.847 2.351 3.507 0.148 4 0 "[ . 1]" 1
966 1 61 ILE MG 1 68 GLY HA3 3.436 . 4.912 4.573 4.422 4.760 . 0 0 "[ . 1]" 1
967 1 61 ILE MG 1 70 GLY HA2 2.927 . 3.998 2.325 1.846 2.568 0.010 6 0 "[ . 1]" 1
968 1 61 ILE MG 1 70 GLY HA3 2.870 . 3.899 3.404 3.073 3.640 . 0 0 "[ . 1]" 1
969 1 61 ILE MG 1 71 THR HA 2.656 . 3.538 2.602 2.334 2.930 . 0 0 "[ . 1]" 1
970 1 61 ILE MG 1 72 VAL HB 2.581 . 3.413 3.483 3.224 3.616 0.203 1 0 "[ . 1]" 1
971 1 62 ASP HA 1 62 ASP HB2 1.998 . 2.497 2.432 2.411 2.453 . 0 0 "[ . 1]" 1
972 1 62 ASP HA 1 65 ASP HB3 2.493 . 3.270 1.795 1.711 1.905 0.005 4 0 "[ . 1]" 1
973 1 63 GLU HA 1 63 GLU HB2 2.398 . 3.117 2.570 2.433 2.687 . 0 0 "[ . 1]" 1
974 1 63 GLU HA 1 64 VAL MG1 2.999 . 4.123 3.730 3.553 3.854 . 0 0 "[ . 1]" 1
975 1 63 GLU HB2 1 64 VAL MG1 3.135 . 4.364 4.620 4.533 4.721 0.357 4 0 "[ . 1]" 1
976 1 63 GLU HB3 1 64 VAL HA 3.089 . 4.282 3.959 3.816 4.153 . 0 0 "[ . 1]" 1
977 1 63 GLU HB3 1 64 VAL MG1 2.853 . 3.871 3.173 2.961 3.486 . 0 0 "[ . 1]" 1
978 1 63 GLU HB3 1 64 VAL MG2 2.980 . 4.090 2.560 2.371 2.785 . 0 0 "[ . 1]" 1
979 1 63 GLU HG2 1 64 VAL MG1 3.020 . 4.160 3.639 2.391 4.198 0.038 2 0 "[ . 1]" 1
980 1 63 GLU HG3 1 64 VAL MG1 3.136 . 4.365 3.617 2.517 4.142 . 0 0 "[ . 1]" 1
981 1 64 VAL HA 1 64 VAL HB 2.408 . 3.133 2.630 2.588 2.668 . 0 0 "[ . 1]" 1
982 1 64 VAL HA 1 64 VAL MG1 2.384 . 3.094 2.202 2.076 2.261 . 0 0 "[ . 1]" 1
983 1 64 VAL HA 1 64 VAL MG2 2.575 . 3.404 3.139 3.125 3.156 . 0 0 "[ . 1]" 1
984 1 64 VAL HA 1 79 VAL MG1 3.515 . 5.059 3.389 3.233 3.571 . 0 0 "[ . 1]" 1
985 1 64 VAL HB 1 64 VAL MG1 2.175 . 2.766 2.149 2.140 2.155 . 0 0 "[ . 1]" 1
986 1 64 VAL HB 1 64 VAL MG2 2.176 . 2.768 2.140 2.114 2.153 . 0 0 "[ . 1]" 1
987 1 64 VAL HB 1 72 VAL HB 2.355 . 3.048 3.281 3.183 3.364 0.316 4 0 "[ . 1]" 1
988 1 64 VAL HB 1 76 GLU HA 2.413 . 3.141 3.032 2.724 3.196 0.055 4 0 "[ . 1]" 1
989 1 64 VAL HB 1 79 VAL MG1 2.751 . 3.697 3.837 3.787 3.886 0.189 10 0 "[ . 1]" 1
990 1 64 VAL HB 1 80 MET HA 3.631 . 5.279 5.036 4.714 5.344 0.065 6 0 "[ . 1]" 1
991 1 64 VAL MG1 1 64 VAL MG2 1.726 . 2.098 2.024 1.979 2.076 . 0 0 "[ . 1]" 1
992 1 64 VAL MG1 1 79 VAL HA 2.989 . 4.106 4.330 4.276 4.427 0.321 8 0 "[ . 1]" 1
993 1 64 VAL MG1 1 79 VAL HB 2.432 . 3.171 2.366 2.139 2.562 . 0 0 "[ . 1]" 1
994 1 64 VAL MG1 1 80 MET HA 2.573 . 3.400 2.456 2.225 2.742 . 0 0 "[ . 1]" 1
995 1 64 VAL MG1 1 83 ARG QD 2.434 . 3.175 2.004 1.702 2.562 . 0 0 "[ . 1]" 1
996 1 64 VAL MG2 1 65 ASP HA 3.241 . 4.554 4.035 3.868 4.201 . 0 0 "[ . 1]" 1
997 1 64 VAL MG2 1 65 ASP HA 3.055 . 4.222 3.885 3.694 4.042 . 0 0 "[ . 1]" 1
998 1 64 VAL MG2 1 65 ASP HB2 3.061 . 4.232 3.594 3.329 3.815 . 0 0 "[ . 1]" 1
999 1 64 VAL MG2 1 65 ASP HB3 3.364 . 4.778 4.478 4.181 4.804 0.026 4 0 "[ . 1]" 1
1000 1 64 VAL MG2 1 72 VAL HB 2.954 . 4.045 2.004 1.836 2.198 0.027 8 0 "[ . 1]" 1
1001 1 64 VAL MG2 1 72 VAL HB 2.160 . 2.743 1.831 1.736 1.930 . 0 0 "[ . 1]" 1
1002 1 64 VAL MG2 1 72 VAL MG1 2.377 . 3.083 2.697 2.586 2.796 . 0 0 "[ . 1]" 1
1003 1 64 VAL MG2 1 72 VAL MG1 2.052 . 2.578 1.992 1.940 2.025 . 0 0 "[ . 1]" 1
1004 1 64 VAL MG2 1 76 GLU HB3 2.745 . 3.687 2.442 2.280 2.588 . 0 0 "[ . 1]" 1
1005 1 64 VAL MG2 1 80 MET HA 2.706 . 3.622 3.810 3.687 3.945 0.323 6 0 "[ . 1]" 1
1006 1 64 VAL MG2 1 80 MET HB2 2.817 . 3.809 3.154 2.522 4.064 0.255 2 0 "[ . 1]" 1
1007 1 65 ASP HA 1 65 ASP HB2 2.427 . 3.163 2.500 2.437 2.526 . 0 0 "[ . 1]" 1
1008 1 65 ASP HA 1 65 ASP HB3 2.417 . 3.147 3.016 3.010 3.022 . 0 0 "[ . 1]" 1
1009 1 65 ASP HA 1 66 GLU HB3 3.846 . 5.695 3.908 3.561 4.215 . 0 0 "[ . 1]" 1
1010 1 65 ASP HA 1 72 VAL HA 3.080 . 4.266 3.611 3.132 4.055 . 0 0 "[ . 1]" 1
1011 1 65 ASP HA 1 72 VAL MG1 3.851 . 5.704 5.029 4.766 5.306 . 0 0 "[ . 1]" 1
1012 1 65 ASP HA 1 76 GLU HB3 2.982 . 4.094 3.339 2.961 3.740 . 0 0 "[ . 1]" 1
1013 1 66 GLU HA 1 66 GLU HB2 2.202 . 2.808 2.568 2.458 3.003 0.195 9 0 "[ . 1]" 1
1014 1 66 GLU HA 1 66 GLU HB3 2.138 . 2.710 2.944 2.512 3.015 0.305 6 0 "[ . 1]" 1
1015 1 66 GLU HA 1 66 GLU HG2 2.276 . 2.923 2.833 2.396 3.006 0.083 4 0 "[ . 1]" 1
1016 1 66 GLU HA 1 66 GLU HG3 2.277 . 2.925 2.481 2.364 2.929 0.004 9 0 "[ . 1]" 1
1017 1 66 GLU HB2 1 66 GLU HG3 1.990 . 2.485 2.452 2.411 2.472 . 0 0 "[ . 1]" 1
1018 1 66 GLU HB3 1 66 GLU HG2 1.924 . 2.387 2.475 2.453 2.523 0.136 8 0 "[ . 1]" 1
1019 1 67 ASP HA 1 67 ASP HB2 2.279 . 2.928 2.727 2.418 3.032 0.104 10 0 "[ . 1]" 1
1020 1 68 GLY HA3 1 69 SER HB2 3.214 . 4.505 4.767 4.625 4.868 0.363 1 0 "[ . 1]" 1
1021 1 69 SER HA 1 69 SER HB3 2.069 . 2.604 2.407 2.294 2.486 . 0 0 "[ . 1]" 1
1022 1 70 GLY HA2 1 71 THR MG 3.205 . 4.489 4.544 4.405 4.676 0.187 6 0 "[ . 1]" 1
1023 1 70 GLY HA3 1 71 THR MG 3.241 . 4.554 3.869 3.651 4.093 . 0 0 "[ . 1]" 1
1024 1 71 THR HA 1 71 THR HB 2.181 . 2.776 2.620 2.519 2.728 . 0 0 "[ . 1]" 1
1025 1 71 THR HA 1 71 THR MG 2.177 . 2.769 2.143 2.050 2.227 . 0 0 "[ . 1]" 1
1026 1 71 THR HB 1 71 THR MG 1.984 . 2.476 2.120 2.097 2.142 . 0 0 "[ . 1]" 1
1027 1 72 VAL HA 1 72 VAL HB 2.719 . 3.643 2.278 2.261 2.302 . 0 0 "[ . 1]" 1
1028 1 72 VAL HA 1 72 VAL MG1 2.419 . 3.150 3.089 3.037 3.122 . 0 0 "[ . 1]" 1
1029 1 72 VAL HA 1 72 VAL MG2 2.251 . 2.884 2.718 2.623 2.771 . 0 0 "[ . 1]" 1
1030 1 72 VAL HA 1 76 GLU HB2 2.558 . 3.376 2.257 2.143 2.400 . 0 0 "[ . 1]" 1
1031 1 72 VAL HA 1 76 GLU HB3 2.598 . 3.442 2.458 2.248 2.601 . 0 0 "[ . 1]" 1
1032 1 72 VAL HB 1 72 VAL MG1 2.180 . 2.774 2.132 2.115 2.145 . 0 0 "[ . 1]" 1
1033 1 72 VAL HB 1 76 GLU HB2 2.460 . 3.217 3.182 2.994 3.319 0.102 10 0 "[ . 1]" 1
1034 1 72 VAL MG1 1 72 VAL MG2 1.974 . 2.461 2.052 1.988 2.079 . 0 0 "[ . 1]" 1
1035 1 72 VAL MG1 1 73 ASP HA 4.035 . 6.070 4.943 4.788 5.041 . 0 0 "[ . 1]" 1
1036 1 72 VAL MG1 1 77 PHE HB2 3.007 . 4.137 3.973 3.775 4.144 0.007 1 0 "[ . 1]" 1
1037 1 72 VAL MG2 1 76 GLU HB2 2.933 . 4.008 2.012 1.825 2.266 0.033 9 0 "[ . 1]" 1
1038 1 72 VAL MG2 1 77 PHE HA 3.158 . 4.405 1.881 1.805 1.997 0.106 6 0 "[ . 1]" 1
1039 1 73 ASP HA 1 73 ASP HB2 2.320 . 2.993 2.747 2.388 3.007 0.014 3 0 "[ . 1]" 1
1040 1 73 ASP HA 1 73 ASP HB3 2.302 . 2.965 2.568 2.360 2.838 . 0 0 "[ . 1]" 1
1041 1 74 PHE HA 1 74 PHE HB2 2.554 . 3.369 2.355 2.326 2.397 . 0 0 "[ . 1]" 1
1042 1 74 PHE HA 1 74 PHE HB3 2.521 . 3.315 3.008 2.995 3.022 . 0 0 "[ . 1]" 1
1043 1 74 PHE HA 1 74 PHE HD1 2.356 . 3.050 2.113 1.988 2.218 . 0 0 "[ . 1]" 1
1044 1 74 PHE HA 1 77 PHE HB3 2.640 . 3.511 3.071 2.975 3.309 . 0 0 "[ . 1]" 1
1045 1 74 PHE HB3 1 74 PHE HD1 2.612 . 3.465 3.705 3.663 3.736 0.271 7 0 "[ . 1]" 1
1046 1 74 PHE HD1 1 77 PHE HB2 3.917 . 5.835 5.393 5.227 5.683 . 0 0 "[ . 1]" 1
1047 1 74 PHE HD1 1 78 LEU MD1 3.521 . 5.071 5.207 5.139 5.288 0.217 5 0 "[ . 1]" 1
1048 1 74 PHE HD1 1 78 LEU MD2 3.839 . 5.681 2.889 2.744 3.164 . 0 0 "[ . 1]" 1
1049 1 74 PHE HE1 1 78 LEU MD1 2.583 . 3.417 3.847 3.716 4.026 0.609 2 3 "[ +* - 1]" 1
1050 1 74 PHE HE1 1 78 LEU MD2 2.439 . 3.182 1.589 1.536 1.658 0.160 5 0 "[ . 1]" 1
1051 1 75 ASP HA 1 75 ASP HB2 2.252 . 2.886 2.935 2.623 3.011 0.125 2 0 "[ . 1]" 1
1052 1 75 ASP HA 1 75 ASP HB3 1.955 . 2.433 2.451 2.285 2.524 0.091 10 0 "[ . 1]" 1
1053 1 75 ASP HA 1 78 LEU HB2 2.339 . 3.023 2.812 2.716 2.993 . 0 0 "[ . 1]" 1
1054 1 75 ASP HA 1 78 LEU HB3 4.330 . 6.674 3.045 2.840 3.236 . 0 0 "[ . 1]" 1
1055 1 76 GLU HA 1 76 GLU HG3 2.261 . 2.900 2.848 2.681 2.956 0.056 6 0 "[ . 1]" 1
1056 1 76 GLU HA 1 79 VAL HB 2.381 . 3.090 2.873 2.574 3.228 0.138 4 0 "[ . 1]" 1
1057 1 76 GLU HA 1 79 VAL MG2 2.232 . 2.855 2.864 2.761 2.945 0.090 3 0 "[ . 1]" 1
1058 1 76 GLU HB2 1 76 GLU HG3 2.366 . 3.066 2.516 2.460 2.604 . 0 0 "[ . 1]" 1
1059 1 76 GLU HB3 1 76 GLU HG3 2.321 . 2.994 3.025 3.012 3.032 0.038 1 0 "[ . 1]" 1
1060 1 77 PHE HA 1 77 PHE HB2 2.666 . 3.554 2.250 2.238 2.256 . 0 0 "[ . 1]" 1
1061 1 77 PHE HA 1 77 PHE HB3 2.669 . 3.559 2.832 2.816 2.850 . 0 0 "[ . 1]" 1
1062 1 77 PHE HA 1 81 MET ME 3.703 . 5.417 5.140 4.794 5.456 0.039 1 0 "[ . 1]" 1
1063 1 77 PHE HB2 1 77 PHE HD1 2.843 . 3.853 2.509 2.482 2.524 . 0 0 "[ . 1]" 1
1064 1 77 PHE HB3 1 77 PHE HD1 2.754 . 3.702 3.709 3.700 3.716 0.014 7 0 "[ . 1]" 1
1065 1 77 PHE HD1 1 78 LEU HA 3.387 . 4.821 4.126 4.010 4.242 . 0 0 "[ . 1]" 1
1066 1 77 PHE HD1 1 78 LEU MD1 3.987 . 5.974 5.696 5.563 5.753 . 0 0 "[ . 1]" 1
1067 1 77 PHE HD1 1 78 LEU MD2 3.196 . 4.473 4.546 4.448 4.745 0.272 2 0 "[ . 1]" 1
1068 1 77 PHE HE1 1 78 LEU MD1 3.372 . 4.794 4.981 4.888 5.049 0.255 1 0 "[ . 1]" 1
1069 1 77 PHE HE1 1 78 LEU MD2 2.799 . 3.778 3.613 3.454 3.892 0.114 2 0 "[ . 1]" 1
1070 1 78 LEU HA 1 78 LEU HB2 2.684 . 3.584 2.690 2.637 2.714 . 0 0 "[ . 1]" 1
1071 1 78 LEU HA 1 78 LEU HB2 2.163 . 2.748 2.524 2.481 2.579 . 0 0 "[ . 1]" 1
1072 1 78 LEU HA 1 78 LEU HB3 2.714 . 3.635 2.975 2.956 3.001 . 0 0 "[ . 1]" 1
1073 1 78 LEU HA 1 78 LEU MD1 2.578 . 3.409 2.341 2.088 2.460 . 0 0 "[ . 1]" 1
1074 1 78 LEU HA 1 78 LEU MD2 2.394 . 3.111 1.993 1.905 2.136 . 0 0 "[ . 1]" 1
1075 1 78 LEU HA 1 78 LEU HG 2.901 . 3.953 3.555 3.530 3.604 . 0 0 "[ . 1]" 1
1076 1 78 LEU HA 1 81 MET HB2 2.279 . 2.928 3.010 2.900 3.086 0.158 9 0 "[ . 1]" 1
1077 1 78 LEU HA 1 81 MET HB3 3.561 . 5.146 4.555 4.433 4.662 . 0 0 "[ . 1]" 1
1078 1 78 LEU HA 1 81 MET HG2 3.784 . 5.574 3.352 3.081 3.699 . 0 0 "[ . 1]" 1
1079 1 78 LEU HA 1 81 MET HG3 2.543 . 3.351 3.365 3.284 3.431 0.080 2 0 "[ . 1]" 1
1080 1 78 LEU HB2 1 78 LEU MD1 2.400 . 3.120 3.166 3.157 3.177 0.057 1 0 "[ . 1]" 1
1081 1 78 LEU HB2 1 78 LEU MD2 2.893 . 3.939 2.266 2.209 2.320 . 0 0 "[ . 1]" 1
1082 1 78 LEU HB2 1 78 LEU MD2 2.087 . 2.631 1.937 1.916 1.949 . 0 0 "[ . 1]" 1
1083 1 78 LEU HB3 1 78 LEU MD1 2.191 . 2.791 2.301 2.254 2.399 . 0 0 "[ . 1]" 1
1084 1 78 LEU HB3 1 78 LEU MD2 2.907 . 3.963 3.176 3.162 3.186 . 0 0 "[ . 1]" 1
1085 1 78 LEU HB3 1 78 LEU HG 2.477 . 3.244 2.455 2.396 2.481 . 0 0 "[ . 1]" 1
1086 1 78 LEU HB3 1 79 VAL MG1 2.863 . 3.887 3.539 3.326 3.686 . 0 0 "[ . 1]" 1
1087 1 78 LEU MD1 1 78 LEU HG 1.914 . 2.372 2.097 2.088 2.120 . 0 0 "[ . 1]" 1
1088 1 78 LEU MD1 1 81 MET HB3 3.153 . 4.395 3.658 3.503 3.798 . 0 0 "[ . 1]" 1
1089 1 78 LEU MD2 1 81 MET HG3 2.742 . 3.682 3.186 2.902 3.507 . 0 0 "[ . 1]" 1
1090 1 79 VAL HA 1 79 VAL HB 2.212 . 2.824 3.001 2.990 3.009 0.185 6 0 "[ . 1]" 1
1091 1 79 VAL HA 1 79 VAL MG1 2.455 . 3.208 2.434 2.375 2.506 . 0 0 "[ . 1]" 1
1092 1 79 VAL HA 1 79 VAL MG2 2.220 . 2.836 2.127 2.082 2.181 . 0 0 "[ . 1]" 1
1093 1 79 VAL HA 1 79 VAL MG2 2.094 . 2.642 1.702 1.669 1.730 . 0 0 "[ . 1]" 1
1094 1 79 VAL HA 1 82 VAL MG1 2.670 . 3.561 1.792 1.752 1.846 0.027 1 0 "[ . 1]" 1
1095 1 79 VAL HA 1 83 ARG HG3 3.739 . 5.487 3.657 3.561 3.756 . 0 0 "[ . 1]" 1
1096 1 79 VAL HB 1 79 VAL MG1 2.121 . 2.683 2.138 2.124 2.146 . 0 0 "[ . 1]" 1
1097 1 79 VAL HB 1 79 VAL MG2 1.849 . 2.276 2.119 2.113 2.128 . 0 0 "[ . 1]" 1
1098 1 79 VAL HB 1 83 ARG HG3 2.954 . 4.045 4.134 3.930 4.261 0.216 4 0 "[ . 1]" 1
1099 1 79 VAL MG1 1 79 VAL MG2 1.947 . 2.421 1.992 1.923 2.033 . 0 0 "[ . 1]" 1
1100 1 79 VAL MG1 1 80 MET HA 3.099 . 4.299 3.226 3.099 3.382 . 0 0 "[ . 1]" 1
1101 1 79 VAL MG1 1 83 ARG QD 2.454 . 3.207 2.034 1.759 2.455 . 0 0 "[ . 1]" 1
1102 1 79 VAL MG1 1 83 ARG HG3 2.721 . 3.647 1.825 1.775 1.901 0.020 9 0 "[ . 1]" 1
1103 1 80 MET HA 1 80 MET HB2 2.251 . 2.884 2.400 2.261 3.027 0.143 2 0 "[ . 1]" 1
1104 1 80 MET HA 1 80 MET HG3 2.513 . 3.182 3.224 2.768 3.766 0.584 9 2 "[ . +-]" 1
1105 1 80 MET HA 1 83 ARG HB2 2.706 . 3.621 2.136 1.923 2.264 . 0 0 "[ . 1]" 1
1106 1 80 MET HA 1 83 ARG HB3 2.548 . 3.360 3.595 3.338 3.737 0.377 1 0 "[ . 1]" 1
1107 1 80 MET HA 1 83 ARG QD 2.733 . 3.667 2.338 1.834 3.026 . 0 0 "[ . 1]" 1
1108 1 80 MET HA 1 83 ARG HG3 3.439 . 4.917 3.089 2.761 3.413 . 0 0 "[ . 1]" 1
1109 1 80 MET HB3 1 80 MET ME 2.342 . 3.028 1.975 1.725 2.409 . 0 0 "[ . 1]" 1
1110 1 81 MET HA 1 81 MET HB2 2.162 . 2.746 3.004 2.999 3.012 0.266 5 0 "[ . 1]" 1
1111 1 81 MET HA 1 81 MET HG2 3.435 . 4.910 2.824 2.675 2.933 . 0 0 "[ . 1]" 1
1112 1 81 MET HA 1 81 MET HG3 4.066 . 6.133 3.645 3.630 3.660 . 0 0 "[ . 1]" 1
1113 1 81 MET HA 1 85 MET ME 2.849 . 3.864 3.679 3.503 3.979 0.115 4 0 "[ . 1]" 1
1114 1 81 MET HB3 1 81 MET HG2 2.150 . 2.728 3.006 3.000 3.015 0.287 6 0 "[ . 1]" 1
1115 1 81 MET ME 1 108 MET HG3 2.912 . 3.972 3.502 2.491 4.043 0.071 5 0 "[ . 1]" 1
1116 1 81 MET ME 1 108 MET ME 2.300 . 2.961 1.942 1.655 2.322 . 0 0 "[ . 1]" 1
1117 1 81 MET HG2 1 85 MET ME 2.521 . 3.315 3.360 3.194 3.450 0.135 2 0 "[ . 1]" 1
1118 1 81 MET HG2 1 85 MET HG2 3.818 . 5.641 5.555 3.533 6.037 0.396 2 0 "[ . 1]" 1
1119 1 81 MET HG2 1 109 MET ME 4.032 . 6.064 6.002 5.791 6.185 0.121 2 0 "[ . 1]" 1
1120 1 81 MET HG3 1 85 MET ME 3.210 . 4.498 4.570 4.490 4.652 0.154 2 0 "[ . 1]" 1
1121 1 82 VAL HA 1 82 VAL MG1 2.204 . 2.811 3.070 3.024 3.132 0.321 7 0 "[ . 1]" 1
1122 1 82 VAL HA 1 82 VAL MG2 2.308 . 2.974 2.712 2.578 2.812 . 0 0 "[ . 1]" 1
1123 1 82 VAL HA 1 85 MET HB2 2.139 . 2.711 1.600 1.507 1.729 0.060 1 0 "[ . 1]" 1
1124 1 82 VAL HA 1 85 MET HB3 3.033 . 4.183 3.435 2.787 3.832 . 0 0 "[ . 1]" 1
1125 1 82 VAL HA 1 85 MET ME 2.483 . 3.254 1.709 1.672 1.791 0.040 8 0 "[ . 1]" 1
1126 1 82 VAL HA 1 85 MET HG2 2.886 . 3.927 4.011 1.809 4.451 0.524 10 2 "[ - . +]" 1
1127 1 82 VAL HA 1 85 MET HG3 3.069 . 4.246 3.458 2.953 4.259 0.013 3 0 "[ . 1]" 1
1128 1 82 VAL HB 1 82 VAL MG2 2.063 . 2.595 2.146 2.142 2.151 . 0 0 "[ . 1]" 1
1129 1 82 VAL HB 1 83 ARG HA 3.209 . 4.496 4.611 4.538 4.932 0.436 5 0 "[ . 1]" 1
1130 1 82 VAL MG1 1 82 VAL MG2 1.633 . 1.966 2.051 2.005 2.075 0.109 10 0 "[ . 1]" 1
1131 1 83 ARG HA 1 83 ARG HB2 2.277 . 2.925 2.995 2.966 3.005 0.080 8 0 "[ . 1]" 1
1132 1 83 ARG HA 1 83 ARG HB3 2.240 . 2.867 2.595 2.560 2.682 . 0 0 "[ . 1]" 1
1133 1 83 ARG HA 1 83 ARG HG2 2.306 . 2.971 2.292 2.096 2.453 . 0 0 "[ . 1]" 1
1134 1 83 ARG HA 1 83 ARG HG3 2.326 . 3.002 2.912 2.781 3.176 0.174 2 0 "[ . 1]" 1
1135 1 83 ARG HB2 1 83 ARG QD 2.294 . 2.952 2.506 2.406 2.733 . 0 0 "[ . 1]" 1
1136 1 83 ARG HB2 1 83 ARG HG2 2.340 . 3.025 3.014 2.962 3.031 0.006 6 0 "[ . 1]" 1
1137 1 83 ARG HB3 1 83 ARG QD 2.310 . 2.977 2.431 2.154 2.939 . 0 0 "[ . 1]" 1
1138 1 83 ARG HB3 1 83 ARG HG2 2.447 . 3.195 2.517 2.437 2.660 . 0 0 "[ . 1]" 1
1139 1 83 ARG HB3 1 83 ARG HG3 2.410 . 3.136 3.020 2.973 3.036 . 0 0 "[ . 1]" 1
1140 1 83 ARG QD 1 83 ARG HG2 2.229 . 2.850 2.423 2.357 2.525 . 0 0 "[ . 1]" 1
1141 1 83 ARG QD 1 83 ARG HG3 2.126 . 2.691 2.250 2.182 2.346 . 0 0 "[ . 1]" 1
1142 1 84 SER HA 1 84 SER QB 1.962 . 2.443 2.276 2.185 2.392 . 0 0 "[ . 1]" 1
1143 1 84 SER HA 1 84 SER QB 1.785 . 2.183 2.047 2.000 2.128 . 0 0 "[ . 1]" 1
1144 1 84 SER QB 1 102 ARG HB2 3.030 . 4.178 4.063 3.814 4.371 0.193 10 0 "[ . 1]" 1
1145 1 85 MET HA 1 85 MET HB2 2.505 . 3.289 2.906 2.264 3.025 . 0 0 "[ . 1]" 1
1146 1 85 MET HA 1 85 MET HB3 2.039 . 2.559 2.625 2.530 2.768 0.209 3 0 "[ . 1]" 1
1147 1 85 MET HA 1 85 MET HG2 2.516 . 3.307 2.669 2.240 3.731 0.424 5 0 "[ . 1]" 1
1148 1 85 MET HA 1 85 MET HG3 2.520 . 3.314 2.734 1.929 3.401 0.087 5 0 "[ . 1]" 1
1149 1 85 MET HA 1 85 MET HG3 1.896 . 2.345 2.161 1.820 2.419 0.074 5 0 "[ . 1]" 1
1150 1 85 MET HA 1 105 ALA MB 2.473 . 3.237 2.903 1.876 3.267 0.030 8 0 "[ . 1]" 1
1151 1 85 MET HB2 1 85 MET HG2 2.202 . 2.808 2.587 2.148 2.798 . 0 0 "[ . 1]" 1
1152 1 85 MET HB2 1 85 MET HG3 2.204 . 2.811 2.227 1.912 2.734 . 0 0 "[ . 1]" 1
1153 1 85 MET HB2 1 85 MET HG3 2.340 . 3.024 2.535 2.395 2.918 . 0 0 "[ . 1]" 1
1154 1 85 MET HB3 1 85 MET HG2 2.381 . 3.090 2.440 2.257 2.549 . 0 0 "[ . 1]" 1
1155 1 85 MET HB3 1 85 MET HG3 2.523 . 3.319 2.970 2.742 3.028 . 0 0 "[ . 1]" 1
1156 1 85 MET ME 1 85 MET HG2 2.437 . 3.179 2.924 2.199 3.311 0.132 10 0 "[ . 1]" 1
1157 1 85 MET ME 1 85 MET HG3 2.377 . 3.083 2.583 2.006 3.310 0.227 1 0 "[ . 1]" 1
1158 1 85 MET HG3 1 105 ALA MB 2.254 . 2.889 3.071 2.936 3.159 0.270 8 0 "[ . 1]" 1
1159 1 87 ASP HA 1 87 ASP QB 2.058 . 2.587 2.298 2.169 2.395 . 0 0 "[ . 1]" 1
1160 1 88 ASP HA 1 88 ASP QB 1.959 . 2.439 2.318 2.183 2.415 . 0 0 "[ . 1]" 1
1161 1 89 SER HA 1 89 SER QB 1.992 . 2.488 2.338 2.186 2.459 . 0 0 "[ . 1]" 1
1162 1 90 LYS HA 1 90 LYS HB2 2.446 . 3.194 2.570 2.314 2.905 . 0 0 "[ . 1]" 1
1163 1 90 LYS HA 1 90 LYS HB3 2.442 . 3.188 2.744 2.304 3.030 . 0 0 "[ . 1]" 1
1164 1 90 LYS HA 1 90 LYS QG 2.369 . 3.071 2.616 1.916 3.287 0.216 6 0 "[ . 1]" 1
1165 1 90 LYS HB3 1 90 LYS QG 2.244 . 2.873 2.441 2.290 2.542 . 0 0 "[ . 1]" 1
1166 1 90 LYS QD 1 90 LYS QE 2.058 . 2.587 2.087 2.035 2.109 . 0 0 "[ . 1]" 1
1167 1 90 LYS QD 1 90 LYS QG 1.629 . 1.961 2.062 2.030 2.102 0.141 7 0 "[ . 1]" 1
1168 1 90 LYS QE 1 91 GLY QA 2.937 . 4.015 3.707 2.727 4.159 0.144 5 0 "[ . 1]" 1
1169 1 91 GLY QA 1 92 LYS QB 3.285 . 4.634 3.892 3.057 4.504 . 0 0 "[ . 1]" 1
1170 1 92 LYS HA 1 92 LYS QB 2.079 . 2.619 2.384 2.162 2.536 . 0 0 "[ . 1]" 1
1171 1 92 LYS HA 1 92 LYS QD 3.159 . 4.406 3.909 2.443 4.344 . 0 0 "[ . 1]" 1
1172 1 92 LYS HA 1 92 LYS QE 3.929 . 5.859 4.117 3.302 4.611 . 0 0 "[ . 1]" 1
1173 1 92 LYS HA 1 92 LYS HG2 2.715 . 3.636 2.914 2.151 3.756 0.120 1 0 "[ . 1]" 1
1174 1 92 LYS HA 1 92 LYS HG3 2.935 . 4.011 2.806 1.966 3.682 . 0 0 "[ . 1]" 1
1175 1 92 LYS QB 1 92 LYS HG2 2.103 . 2.656 2.072 1.950 2.210 . 0 0 "[ . 1]" 1
1176 1 92 LYS QB 1 92 LYS HG3 2.103 . 2.656 2.106 1.983 2.256 . 0 0 "[ . 1]" 1
1177 1 92 LYS QB 1 92 LYS QE 3.439 . 4.917 2.771 2.045 3.611 . 0 0 "[ . 1]" 1
1178 1 92 LYS QB 1 92 LYS HG2 2.353 . 3.045 2.323 2.196 2.435 . 0 0 "[ . 1]" 1
1179 1 92 LYS QB 1 92 LYS HG3 2.281 . 2.931 2.396 2.298 2.520 . 0 0 "[ . 1]" 1
1180 1 92 LYS QB 1 94 LYS QG 3.958 . 5.916 4.900 3.554 5.926 0.010 8 0 "[ . 1]" 1
1181 1 92 LYS QD 1 92 LYS QE 2.301 . 2.963 2.079 2.039 2.109 . 0 0 "[ . 1]" 1
1182 1 92 LYS QD 1 92 LYS HG3 2.122 . 2.685 2.348 2.166 2.545 . 0 0 "[ . 1]" 1
1183 1 92 LYS QE 1 92 LYS HG2 2.683 . 3.583 2.676 2.001 3.450 . 0 0 "[ . 1]" 1
1184 1 92 LYS QE 1 92 LYS HG3 2.984 . 4.097 2.617 1.932 3.467 . 0 0 "[ . 1]" 1
1185 1 93 PHE HA 1 93 PHE HB2 2.381 . 3.090 2.878 2.427 3.022 . 0 0 "[ . 1]" 1
1186 1 93 PHE HA 1 93 PHE HB3 2.484 . 3.255 2.726 2.542 3.026 . 0 0 "[ . 1]" 1
1187 1 93 PHE HA 1 93 PHE HD1 3.002 . 4.129 3.603 2.752 4.087 . 0 0 "[ . 1]" 1
1188 1 93 PHE HB2 1 93 PHE HD1 2.435 . 3.176 2.439 2.333 2.565 . 0 0 "[ . 1]" 1
1189 1 94 LYS HA 1 94 LYS HB2 2.316 . 2.987 2.778 2.306 3.012 0.025 1 0 "[ . 1]" 1
1190 1 94 LYS HA 1 94 LYS HB3 2.285 . 2.938 2.684 2.377 2.985 0.047 9 0 "[ . 1]" 1
1191 1 94 LYS HA 1 94 LYS QG 2.209 . 2.819 2.536 1.973 3.263 0.444 6 0 "[ . 1]" 1
1192 1 94 LYS HB2 1 94 LYS QG 2.299 . 2.960 2.280 2.190 2.508 . 0 0 "[ . 1]" 1
1193 1 94 LYS HB3 1 94 LYS QG 1.996 . 2.494 2.373 2.198 2.528 0.034 8 0 "[ . 1]" 1
1194 1 94 LYS HE2 1 94 LYS QG 2.117 . 2.677 2.596 2.223 2.895 0.218 1 0 "[ . 1]" 1
1195 1 94 LYS HE2 1 95 ARG QG 2.717 . 3.640 3.416 2.170 3.788 0.148 6 0 "[ . 1]" 1
1196 1 95 ARG HA 1 95 ARG HB2 2.586 . 3.422 2.646 2.314 3.018 . 0 0 "[ . 1]" 1
1197 1 95 ARG HA 1 95 ARG HB3 2.344 . 3.031 2.601 2.450 2.941 . 0 0 "[ . 1]" 1
1198 1 95 ARG HA 1 95 ARG QD 3.007 . 4.138 3.706 2.538 4.287 0.149 8 0 "[ . 1]" 1
1199 1 95 ARG HA 1 95 ARG QG 2.448 . 3.197 2.733 1.964 3.350 0.153 4 0 "[ . 1]" 1
1200 1 95 ARG HA 1 96 PRO QG 2.870 . 3.900 3.863 3.746 4.023 0.123 5 0 "[ . 1]" 1
1201 1 95 ARG HB2 1 96 PRO HD2 2.690 . 3.595 2.721 1.798 3.967 0.372 6 0 "[ . 1]" 1
1202 1 95 ARG HB2 1 96 PRO HD3 2.770 . 3.729 3.124 2.066 4.181 0.452 6 0 "[ . 1]" 1
1203 1 95 ARG HB3 1 96 PRO HD2 2.741 . 3.680 2.831 1.787 3.671 0.015 7 0 "[ . 1]" 1
1204 1 95 ARG HB3 1 96 PRO HD3 2.739 . 3.677 3.225 2.437 3.808 0.131 6 0 "[ . 1]" 1
1205 1 95 ARG QD 1 96 PRO HD2 2.409 . 3.134 2.405 1.828 3.229 0.095 2 0 "[ . 1]" 1
1206 1 95 ARG QD 1 96 PRO HD3 2.672 . 3.564 3.414 2.888 3.731 0.167 10 0 "[ . 1]" 1
1207 1 95 ARG QD 1 97 THR HA 1.997 . 2.496 2.607 1.972 3.334 0.838 6 1 "[ .+ 1]" 1
1208 1 95 ARG QG 1 96 PRO HD3 2.825 . 3.822 3.375 2.021 4.142 0.320 4 0 "[ . 1]" 1
1209 1 96 PRO HA 1 96 PRO HB2 2.303 . 2.966 2.861 2.718 2.971 0.005 8 0 "[ . 1]" 1
1210 1 96 PRO HA 1 96 PRO HB3 2.284 . 2.936 2.288 2.270 2.299 . 0 0 "[ . 1]" 1
1211 1 96 PRO HA 1 96 PRO HD2 3.157 . 4.403 3.946 3.904 4.003 . 0 0 "[ . 1]" 1
1212 1 96 PRO HA 1 96 PRO HD3 3.122 . 4.340 3.840 3.757 3.900 . 0 0 "[ . 1]" 1
1213 1 96 PRO HA 1 96 PRO QG 2.447 . 3.195 3.215 2.951 3.510 0.315 6 0 "[ . 1]" 1
1214 1 96 PRO HA 1 97 THR MG 3.705 . 5.421 5.373 3.894 5.807 0.386 6 0 "[ . 1]" 1
1215 1 96 PRO HB2 1 96 PRO HD2 3.044 . 4.202 3.307 2.922 3.824 . 0 0 "[ . 1]" 1
1216 1 96 PRO HB2 1 96 PRO HD3 2.870 . 3.900 3.983 3.877 4.113 0.213 6 0 "[ . 1]" 1
1217 1 96 PRO HB2 1 96 PRO QG 1.918 . 2.378 2.198 2.151 2.236 . 0 0 "[ . 1]" 1
1218 1 96 PRO HB3 1 96 PRO HD2 2.842 . 3.852 3.911 3.867 3.952 0.100 9 0 "[ . 1]" 1
1219 1 96 PRO HB3 1 96 PRO HD3 3.621 . 5.260 3.806 3.431 4.058 . 0 0 "[ . 1]" 1
1220 1 96 PRO HD2 1 96 PRO QG 2.284 . 2.936 2.237 2.185 2.275 . 0 0 "[ . 1]" 1
1221 1 96 PRO HD3 1 96 PRO QG 2.243 . 2.872 2.206 2.192 2.225 . 0 0 "[ . 1]" 1
1222 1 97 THR HA 1 97 THR MG 2.100 . 2.651 2.399 2.122 3.127 0.476 3 0 "[ . 1]" 1
1223 1 97 THR HA 1 98 LEU QB 3.115 . 4.328 3.848 3.370 4.549 0.221 7 0 "[ . 1]" 1
1224 1 97 THR HB 1 97 THR MG 2.196 . 2.799 2.125 2.093 2.144 . 0 0 "[ . 1]" 1
1225 1 97 THR HB 1 98 LEU QB 3.292 . 4.647 3.552 2.809 4.508 . 0 0 "[ . 1]" 1
1226 1 97 THR MG 1 98 LEU QB 2.277 . 2.925 2.090 1.841 2.360 . 0 0 "[ . 1]" 1
1227 1 97 THR MG 1 98 LEU MD1 2.696 . 3.605 3.204 2.558 3.968 0.363 7 0 "[ . 1]" 1
1228 1 97 THR MG 1 98 LEU MD2 2.647 . 3.523 3.012 2.080 3.574 0.051 1 0 "[ . 1]" 1
1229 1 97 THR MG 1 98 LEU HG 2.910 . 3.968 2.295 1.847 3.945 0.005 10 0 "[ . 1]" 1
1230 1 98 LEU HA 1 98 LEU QB 2.118 . 2.679 2.372 2.297 2.535 . 0 0 "[ . 1]" 1
1231 1 98 LEU HA 1 98 LEU MD1 2.740 . 3.678 3.595 1.826 3.822 0.144 8 0 "[ . 1]" 1
1232 1 98 LEU HA 1 98 LEU MD2 2.192 . 2.792 2.032 1.770 2.370 . 0 0 "[ . 1]" 1
1233 1 98 LEU QB 1 98 LEU QD 1.898 . 2.348 1.924 1.890 2.047 . 0 0 "[ . 1]" 1
1234 1 98 LEU QB 1 98 LEU MD1 1.985 . 2.477 1.881 1.844 1.965 . 0 0 "[ . 1]" 1
1235 1 98 LEU QB 1 98 LEU MD2 1.975 . 2.462 1.942 1.897 1.987 . 0 0 "[ . 1]" 1
1236 1 98 LEU MD2 1 98 LEU HG 2.011 . 2.517 2.135 2.117 2.155 . 0 0 "[ . 1]" 1
1237 1 100 ARG HA 1 101 VAL MG2 2.979 . 4.088 3.877 3.352 4.219 0.131 3 0 "[ . 1]" 1
1238 1 101 VAL HA 1 101 VAL HB 2.404 . 3.126 2.759 2.403 3.026 . 0 0 "[ . 1]" 1
1239 1 101 VAL HA 1 101 VAL MG1 2.182 . 2.777 2.289 1.949 3.151 0.374 5 0 "[ . 1]" 1
1240 1 101 VAL HA 1 101 VAL QG 2.313 . 2.982 2.106 1.928 2.394 . 0 0 "[ . 1]" 1
1241 1 101 VAL HA 1 101 VAL MG2 2.256 . 2.892 2.753 2.177 3.172 0.280 9 0 "[ . 1]" 1
1242 1 101 VAL HB 1 101 VAL MG1 2.015 . 2.522 2.127 2.108 2.152 . 0 0 "[ . 1]" 1
1243 1 101 VAL HB 1 101 VAL MG2 1.989 . 2.484 2.134 2.112 2.152 . 0 0 "[ . 1]" 1
1244 1 101 VAL MG2 1 102 ARG QD 3.079 . 4.264 3.919 3.559 4.389 0.125 3 0 "[ . 1]" 1
1245 1 102 ARG HA 1 102 ARG HB2 2.326 . 3.003 2.945 2.580 3.030 0.027 4 0 "[ . 1]" 1
1246 1 102 ARG HB2 1 102 ARG QD 1.804 . 2.211 2.162 1.908 2.355 0.144 4 0 "[ . 1]" 1
1247 1 102 ARG QD 1 102 ARG QG 1.470 . 1.740 1.922 1.874 1.983 0.243 4 0 "[ . 1]" 1
1248 1 103 ILE HA 1 103 ILE HB 2.396 . 3.113 2.533 2.437 2.847 . 0 0 "[ . 1]" 1
1249 1 103 ILE HA 1 103 ILE MD 2.686 . 3.588 3.512 2.009 3.747 0.159 7 0 "[ . 1]" 1
1250 1 103 ILE HA 1 103 ILE HG12 2.909 . 3.967 3.058 2.334 3.710 . 0 0 "[ . 1]" 1
1251 1 103 ILE HA 1 103 ILE HG13 2.796 . 3.773 2.429 2.263 3.131 . 0 0 "[ . 1]" 1
1252 1 103 ILE HA 1 103 ILE MG 2.413 . 3.141 3.152 2.940 3.183 0.042 1 0 "[ . 1]" 1
1253 1 103 ILE HB 1 103 ILE MD 2.079 . 2.619 2.231 2.108 2.390 . 0 0 "[ . 1]" 1
1254 1 103 ILE HB 1 103 ILE HG12 2.514 . 3.304 2.972 2.454 3.038 . 0 0 "[ . 1]" 1
1255 1 103 ILE HB 1 103 ILE MG 2.093 . 2.640 2.119 2.104 2.145 . 0 0 "[ . 1]" 1
1256 1 103 ILE MD 1 103 ILE HG12 2.079 . 2.619 2.121 2.107 2.145 . 0 0 "[ . 1]" 1
1257 1 103 ILE MD 1 103 ILE HG13 2.047 . 2.571 2.119 2.104 2.144 . 0 0 "[ . 1]" 1
1258 1 103 ILE MD 1 108 MET ME 2.472 . 3.236 2.585 2.175 3.306 0.070 8 0 "[ . 1]" 1
1259 1 103 ILE MD 1 108 MET HG3 3.356 . 4.764 2.301 1.817 3.107 0.131 6 0 "[ . 1]" 1
1260 1 103 ILE HG12 1 103 ILE MG 2.216 . 2.830 2.229 2.107 2.445 . 0 0 "[ . 1]" 1
1261 1 103 ILE HG12 1 108 MET ME 3.021 . 4.161 3.780 2.260 4.262 0.101 9 0 "[ . 1]" 1
1262 1 103 ILE HG13 1 103 ILE MG 2.514 . 3.304 3.086 2.303 3.194 . 0 0 "[ . 1]" 1
1263 1 103 ILE MG 1 105 ALA HA 2.873 . 3.904 3.545 3.227 3.969 0.065 8 0 "[ . 1]" 1
1264 1 103 ILE MG 1 108 MET HG2 2.813 . 3.802 2.557 2.288 3.647 . 0 0 "[ . 1]" 1
1265 1 103 ILE MG 1 108 MET HG3 2.824 . 3.821 3.830 3.570 4.057 0.236 9 0 "[ . 1]" 1
1266 1 104 SER HA 1 104 SER HB2 2.365 . 3.064 2.902 2.446 3.030 . 0 0 "[ . 1]" 1
1267 1 104 SER HA 1 104 SER HB3 2.252 . 2.886 2.678 2.455 3.015 0.129 2 0 "[ . 1]" 1
1268 1 104 SER HA 1 105 ALA MB 3.522 . 5.073 3.903 3.874 3.940 . 0 0 "[ . 1]" 1
1269 1 104 SER HB2 1 107 ALA MB 3.107 . 4.314 3.662 3.032 4.320 0.006 4 0 "[ . 1]" 1
1270 1 104 SER HB3 1 107 ALA MB 2.495 . 3.273 3.204 2.856 3.371 0.098 6 0 "[ . 1]" 1
1271 1 105 ALA HA 1 105 ALA MB 2.063 . 2.595 2.127 2.098 2.146 . 0 0 "[ . 1]" 1
1272 1 105 ALA HA 1 105 ALA MB 1.795 . 2.198 2.099 2.063 2.127 . 0 0 "[ . 1]" 1
1273 1 105 ALA HA 1 108 MET HG3 2.951 . 4.040 2.847 2.682 3.247 . 0 0 "[ . 1]" 1
1274 1 105 ALA HA 1 108 MET HG2 3.183 . 4.449 4.048 3.644 4.323 . 0 0 "[ . 1]" 1
1275 1 105 ALA HA 1 108 MET HG3 3.433 . 4.906 4.314 4.010 4.496 . 0 0 "[ . 1]" 1
1276 1 105 ALA HA 1 109 MET QG 3.556 . 5.137 3.612 3.088 4.356 . 0 0 "[ . 1]" 1
1277 1 106 ASP HA 1 106 ASP QB 2.072 . 2.609 2.365 2.157 2.544 . 0 0 "[ . 1]" 1
1278 1 106 ASP HA 1 110 GLN HG3 3.205 . 4.489 4.015 3.805 4.481 . 0 0 "[ . 1]" 1
1279 1 106 ASP QB 1 107 ALA HA 2.741 . 3.680 3.744 3.657 3.988 0.308 8 0 "[ . 1]" 1
1280 1 106 ASP QB 1 107 ALA MB 2.766 . 3.723 3.159 3.086 3.394 . 0 0 "[ . 1]" 1
1281 1 107 ALA HA 1 110 GLN HG3 2.532 . 3.333 2.345 2.206 2.418 . 0 0 "[ . 1]" 1
1282 1 107 ALA MB 1 108 MET HA 2.229 . 2.850 3.050 2.929 3.235 0.385 2 0 "[ . 1]" 1
1283 1 107 ALA MB 1 110 GLN QB 2.652 . 3.531 3.129 3.006 3.210 . 0 0 "[ . 1]" 1
1284 1 107 ALA MB 1 110 GLN HG3 2.772 . 3.733 4.012 3.909 4.074 0.341 7 0 "[ . 1]" 1
1285 1 108 MET HA 1 108 MET HG2 2.614 . 3.468 2.946 2.622 3.193 . 0 0 "[ . 1]" 1
1286 1 108 MET ME 1 108 MET HG2 2.165 . 2.751 2.281 2.175 2.694 . 0 0 "[ . 1]" 1
1287 1 108 MET ME 1 109 MET HA 2.942 . 4.024 4.040 3.871 4.141 0.117 9 0 "[ . 1]" 1
1288 1 108 MET ME 1 109 MET QG 2.459 . 3.215 3.192 2.942 3.312 0.097 5 0 "[ . 1]" 1
1289 1 108 MET ME 1 112 LEU MD1 2.294 . 2.952 2.288 1.895 2.762 . 0 0 "[ . 1]" 1
1290 1 108 MET ME 1 112 LEU MD2 2.816 . 3.808 3.504 3.143 3.737 . 0 0 "[ . 1]" 1
1291 1 108 MET HG2 1 112 LEU MD2 3.306 . 4.672 3.150 2.783 3.465 . 0 0 "[ . 1]" 1
1292 1 109 MET HA 1 109 MET QB 2.502 . 3.285 2.431 2.381 2.508 . 0 0 "[ . 1]" 1
1293 1 109 MET HA 1 109 MET ME 2.160 . 2.743 2.559 2.357 2.709 . 0 0 "[ . 1]" 1
1294 1 109 MET HA 1 109 MET QG 2.510 . 3.298 2.097 1.961 2.196 . 0 0 "[ . 1]" 1
1295 1 109 MET HA 1 112 LEU MD1 2.575 . 3.404 2.232 1.941 3.771 0.367 2 0 "[ . 1]" 1
1296 1 109 MET HA 1 112 LEU MD2 3.324 . 4.705 3.520 3.389 3.590 . 0 0 "[ . 1]" 1
1297 1 109 MET HA 1 112 LEU HG 2.966 . 4.066 2.005 1.867 2.352 . 0 0 "[ . 1]" 1
1298 1 109 MET HA 1 113 LEU MD1 2.855 . 3.874 3.535 3.467 3.644 . 0 0 "[ . 1]" 1
1299 1 109 MET HA 1 113 LEU HG 2.713 . 3.633 2.906 2.827 2.972 . 0 0 "[ . 1]" 1
1300 1 109 MET HA 1 113 LEU HG 2.796 . 3.773 3.778 3.520 3.917 0.144 2 0 "[ . 1]" 1
1301 1 109 MET QB 1 109 MET ME 2.182 . 2.777 2.118 1.907 2.563 . 0 0 "[ . 1]" 1
1302 1 109 MET QB 1 109 MET QG 2.343 . 3.029 2.074 2.067 2.081 . 0 0 "[ . 1]" 1
1303 1 109 MET QB 1 112 LEU MD2 3.330 . 4.716 5.074 4.961 5.143 0.427 5 0 "[ . 1]" 1
1304 1 109 MET QB 1 113 LEU MD1 2.657 . 3.539 2.489 2.118 3.194 . 0 0 "[ . 1]" 1
1305 1 109 MET ME 1 109 MET QG 2.036 . 2.554 2.219 2.050 2.345 . 0 0 "[ . 1]" 1
1306 1 109 MET ME 1 112 LEU MD2 3.205 . 4.489 4.707 4.624 4.809 0.320 7 0 "[ . 1]" 1
1307 1 109 MET ME 1 113 LEU MD1 2.217 . 2.831 2.092 1.877 2.689 . 0 0 "[ . 1]" 1
1308 1 109 MET ME 1 113 LEU MD2 2.523 . 3.319 2.661 2.032 3.088 . 0 0 "[ . 1]" 1
1309 1 109 MET QG 1 113 LEU MD1 3.143 . 4.378 4.241 3.881 4.422 0.044 2 0 "[ . 1]" 1
1310 1 110 GLN HA 1 110 GLN QB 1.887 . 2.332 2.392 2.364 2.410 0.078 5 0 "[ . 1]" 1
1311 1 110 GLN HA 1 110 GLN HG2 2.060 . 2.590 2.356 2.306 2.441 . 0 0 "[ . 1]" 1
1312 1 110 GLN HA 1 110 GLN HG3 2.347 . 3.035 3.048 2.994 3.100 0.065 10 0 "[ . 1]" 1
1313 1 110 GLN HA 1 113 LEU HB2 3.054 . 4.220 2.979 2.711 3.795 . 0 0 "[ . 1]" 1
1314 1 110 GLN HA 1 113 LEU MD1 3.502 . 5.035 3.698 3.305 3.988 . 0 0 "[ . 1]" 1
1315 1 110 GLN QB 1 110 GLN HG2 1.798 . 2.202 2.387 2.364 2.409 0.207 7 0 "[ . 1]" 1
1316 1 110 GLN QB 1 115 ALA HA 3.578 . 5.178 3.818 3.060 4.608 . 0 0 "[ . 1]" 1
1317 1 111 ALA MB 1 112 LEU MD2 2.352 . 3.043 2.314 2.101 2.582 . 0 0 "[ . 1]" 1
1318 1 112 LEU HA 1 112 LEU HB2 2.226 . 2.845 2.952 2.897 2.990 0.145 2 0 "[ . 1]" 1
1319 1 112 LEU HA 1 112 LEU HB3 2.503 . 3.286 2.303 2.237 2.588 . 0 0 "[ . 1]" 1
1320 1 112 LEU HA 1 112 LEU MD1 2.840 . 3.848 3.754 2.685 3.983 0.135 8 0 "[ . 1]" 1
1321 1 112 LEU HA 1 112 LEU HG 2.639 . 3.510 3.523 3.461 3.577 0.067 2 0 "[ . 1]" 1
1322 1 112 LEU HB2 1 112 LEU MD1 2.265 . 2.906 2.494 2.333 3.029 0.123 2 0 "[ . 1]" 1
1323 1 112 LEU HB2 1 112 LEU MD2 2.525 . 3.322 3.146 2.797 3.203 . 0 0 "[ . 1]" 1
1324 1 112 LEU HB2 1 112 LEU HG 2.310 . 2.977 2.412 2.262 2.503 . 0 0 "[ . 1]" 1
1325 1 112 LEU HB3 1 112 LEU MD2 2.696 . 3.605 2.516 2.343 3.091 . 0 0 "[ . 1]" 1
1326 1 112 LEU MD1 1 112 LEU MD2 1.999 . 2.499 2.006 1.875 2.061 . 0 0 "[ . 1]" 1
1327 1 112 LEU MD1 1 112 LEU HG 2.236 . 2.861 2.117 2.092 2.129 . 0 0 "[ . 1]" 1
1328 1 112 LEU MD2 1 112 LEU HG 1.984 . 2.476 2.121 2.102 2.147 . 0 0 "[ . 1]" 1
1329 1 113 LEU HA 1 113 LEU HB2 2.308 . 2.974 3.023 3.017 3.025 0.051 6 0 "[ . 1]" 1
1330 1 113 LEU HA 1 113 LEU HB3 2.127 . 2.692 2.452 2.406 2.501 . 0 0 "[ . 1]" 1
1331 1 113 LEU HA 1 113 LEU MD1 3.208 . 4.495 3.792 3.775 3.807 . 0 0 "[ . 1]" 1
1332 1 113 LEU HA 1 113 LEU MD2 1.873 . 2.311 1.943 1.822 2.058 . 0 0 "[ . 1]" 1
1333 1 113 LEU HA 1 113 LEU HG 2.282 . 2.933 3.024 2.910 3.091 0.158 4 0 "[ . 1]" 1
1334 1 113 LEU HB2 1 113 LEU MD1 2.230 . 2.852 2.333 2.239 2.445 . 0 0 "[ . 1]" 1
1335 1 113 LEU HB2 1 113 LEU HG 2.103 . 2.656 2.466 2.430 2.488 . 0 0 "[ . 1]" 1
1336 1 113 LEU HB3 1 113 LEU MD1 2.147 . 2.723 2.344 2.251 2.426 . 0 0 "[ . 1]" 1
1337 1 113 LEU MD1 1 113 LEU MD2 1.700 . 2.061 2.000 1.874 2.079 0.018 5 0 "[ . 1]" 1
1338 1 113 LEU MD1 1 113 LEU HG 2.136 . 2.706 2.123 2.107 2.150 . 0 0 "[ . 1]" 1
1339 1 113 LEU MD1 1 116 ARG QD 3.535 . 5.097 3.810 2.181 4.951 . 0 0 "[ . 1]" 1
1340 1 113 LEU MD2 1 113 LEU HG 2.108 . 2.664 2.136 2.107 2.150 . 0 0 "[ . 1]" 1
1341 1 113 LEU MD2 1 116 ARG HB2 3.135 . 4.363 3.580 3.041 4.602 0.239 3 0 "[ . 1]" 1
1342 1 113 LEU MD2 1 116 ARG HB3 3.332 . 4.720 4.075 3.403 4.441 . 0 0 "[ . 1]" 1
1343 1 113 LEU MD2 1 116 ARG QD 3.172 . 4.430 3.173 1.884 4.063 0.030 9 0 "[ . 1]" 1
1344 1 114 GLY HA3 1 115 ALA MB 2.897 . 3.946 4.054 3.633 4.169 0.223 7 0 "[ . 1]" 1
1345 1 115 ALA HA 1 115 ALA MB 1.944 . 2.416 2.119 2.101 2.143 . 0 0 "[ . 1]" 1
1346 1 115 ALA HA 1 115 ALA MB 1.814 . 2.225 1.886 1.877 1.894 . 0 0 "[ . 1]" 1
1347 1 116 ARG HB2 1 116 ARG QD 1.938 . 2.407 2.656 2.298 3.343 0.936 5 2 "[ - + 1]" 1
1348 1 117 ALA HA 1 117 ALA MB 2.065 . 2.598 2.116 2.101 2.130 . 0 0 "[ . 1]" 1
1349 1 118 LYS HA 1 119 GLY QA 3.073 . 4.253 4.056 3.909 4.360 0.107 5 0 "[ . 1]" 1
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