NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
635822 |
6mpo   |
26844 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6mpo
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 689
_Distance_constraint_stats_list.Viol_count 3378
_Distance_constraint_stats_list.Viol_total 10485.302
_Distance_constraint_stats_list.Viol_max 1.201
_Distance_constraint_stats_list.Viol_rms 0.0747
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0243
_Distance_constraint_stats_list.Viol_average_violations_only 0.1242
_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 2 ALA 0.531 0.155 3 0 "[ . 1 . 2 .]"
1 3 PHE 7.452 0.274 5 0 "[ . 1 . 2 .]"
1 4 GLY 0.934 0.152 14 0 "[ . 1 . 2 .]"
1 5 GLY 2.179 0.274 5 0 "[ . 1 . 2 .]"
1 6 THR 6.682 0.234 22 0 "[ . 1 . 2 .]"
1 7 LEU 5.348 0.283 17 0 "[ . 1 . 2 .]"
1 8 THR 8.132 0.389 17 0 "[ . 1 . 2 .]"
1 9 VAL 4.119 0.334 17 0 "[ . 1 . 2 .]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 11 THR 0.725 0.167 22 0 "[ . 1 . 2 .]"
1 12 GLN 5.840 0.375 11 0 "[ . 1 . 2 .]"
1 13 PRO 0.842 0.143 17 0 "[ . 1 . 2 .]"
1 14 THR 7.319 0.167 6 0 "[ . 1 . 2 .]"
1 15 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 16 THR 5.267 0.340 22 0 "[ . 1 . 2 .]"
1 17 TYR 6.799 0.376 16 0 "[ . 1 . 2 .]"
1 18 ASN 1.930 0.128 23 0 "[ . 1 . 2 .]"
1 19 ALA 11.370 0.451 18 0 "[ . 1 . 2 .]"
1 20 VAL 0.622 0.119 15 0 "[ . 1 . 2 .]"
1 21 LYS 8.726 0.803 23 4 "[ . * 1 - . * + .]"
1 22 ASP 5.943 0.308 14 0 "[ . 1 . 2 .]"
1 23 SER 3.853 0.225 11 0 "[ . 1 . 2 .]"
1 24 TYR 8.064 0.394 20 0 "[ . 1 . 2 .]"
1 25 GLN 8.088 0.340 22 0 "[ . 1 . 2 .]"
1 26 PHE 11.483 0.274 11 0 "[ . 1 . 2 .]"
1 27 THR 14.105 0.399 2 0 "[ . 1 . 2 .]"
1 28 VAL 20.958 0.396 15 0 "[ . 1 . 2 .]"
1 29 THR 2.440 0.130 18 0 "[ . 1 . 2 .]"
1 30 LEU 27.943 1.201 23 15 "[-** . * 1* **.****2 *+**]"
1 31 THR 15.822 0.334 17 0 "[ . 1 . 2 .]"
1 32 GLY 3.026 0.177 16 0 "[ . 1 . 2 .]"
1 33 ALA 5.020 0.322 12 0 "[ . 1 . 2 .]"
1 34 THR 9.582 0.317 6 0 "[ . 1 . 2 .]"
1 35 ALA 1.816 0.104 16 0 "[ . 1 . 2 .]"
1 36 SER 5.087 0.302 12 0 "[ . 1 . 2 .]"
1 37 VAL 1.417 0.124 11 0 "[ . 1 . 2 .]"
1 38 THR 1.267 0.094 3 0 "[ . 1 . 2 .]"
1 39 GLY 4.199 0.317 17 0 "[ . 1 . 2 .]"
1 40 PHE 7.913 0.328 15 0 "[ . 1 . 2 .]"
1 41 LEU 0.111 0.047 10 0 "[ . 1 . 2 .]"
1 42 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 43 ALA 3.401 0.212 6 0 "[ . 1 . 2 .]"
1 44 GLY 3.444 0.212 6 0 "[ . 1 . 2 .]"
1 45 ASP 1.149 0.136 6 0 "[ . 1 . 2 .]"
1 46 GLN 0.391 0.094 17 0 "[ . 1 . 2 .]"
1 47 VAL 57.827 0.925 17 25 [****************+******-*]
1 48 LYS 5.331 0.211 17 0 "[ . 1 . 2 .]"
1 49 PHE 3.628 0.223 19 0 "[ . 1 . 2 .]"
1 50 THR 16.793 0.744 17 1 "[ . 1 . + 2 .]"
1 51 ASN 2.323 0.198 13 0 "[ . 1 . 2 .]"
1 52 THR 0.315 0.093 12 0 "[ . 1 . 2 .]"
1 55 LEU 2.255 0.307 17 0 "[ . 1 . 2 .]"
1 56 GLN 1.279 0.192 3 0 "[ . 1 . 2 .]"
1 57 GLN 0.058 0.037 8 0 "[ . 1 . 2 .]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 59 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 60 LYS 0.087 0.060 11 0 "[ . 1 . 2 .]"
1 61 GLN 6.038 0.324 15 0 "[ . 1 . 2 .]"
1 62 ALA 4.100 0.224 17 0 "[ . 1 . 2 .]"
1 63 LEU 1.878 0.197 3 0 "[ . 1 . 2 .]"
1 64 TYR 2.148 0.167 24 0 "[ . 1 . 2 .]"
1 65 ASN 1.184 0.167 24 0 "[ . 1 . 2 .]"
1 66 GLY 0.633 0.136 7 0 "[ . 1 . 2 .]"
1 67 ALA 3.166 0.328 8 0 "[ . 1 . 2 .]"
1 68 THR 5.245 0.328 8 0 "[ . 1 . 2 .]"
1 71 SER 4.807 0.218 22 0 "[ . 1 . 2 .]"
1 72 PHE 2.140 0.181 16 0 "[ . 1 . 2 .]"
1 73 THR 8.217 0.200 11 0 "[ . 1 . 2 .]"
1 74 ALA 6.476 0.367 17 0 "[ . 1 . 2 .]"
1 75 THR 15.507 0.309 21 0 "[ . 1 . 2 .]"
1 76 VAL 0.793 0.105 20 0 "[ . 1 . 2 .]"
1 77 THR 2.542 0.230 6 0 "[ . 1 . 2 .]"
1 78 ALA 0.167 0.047 6 0 "[ . 1 . 2 .]"
1 79 ASP 4.426 0.270 10 0 "[ . 1 . 2 .]"
1 80 ALA 14.202 0.347 2 0 "[ . 1 . 2 .]"
1 81 ASN 3.313 0.130 22 0 "[ . 1 . 2 .]"
1 82 SER 15.028 0.317 17 0 "[ . 1 . 2 .]"
1 83 ASP 4.613 0.479 13 0 "[ . 1 . 2 .]"
1 84 SER 1.298 0.156 16 0 "[ . 1 . 2 .]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 86 GLY 3.656 0.322 12 0 "[ . 1 . 2 .]"
1 87 ASP 8.972 0.479 13 0 "[ . 1 . 2 .]"
1 88 VAL 17.457 0.292 17 0 "[ . 1 . 2 .]"
1 89 THR 19.977 1.201 23 15 "[-** . * 1* **.****2 *+**]"
1 90 VAL 16.770 0.489 13 0 "[ . 1 . 2 .]"
1 91 THR 10.599 0.396 15 0 "[ . 1 . 2 .]"
1 92 LEU 19.950 0.399 2 0 "[ . 1 . 2 .]"
1 93 SER 0.036 0.033 17 0 "[ . 1 . 2 .]"
1 94 GLY 0.813 0.394 20 0 "[ . 1 . 2 .]"
1 96 PRO 0.111 0.061 5 0 "[ . 1 . 2 .]"
1 97 ILE 8.194 0.476 3 0 "[ . 1 . 2 .]"
1 98 TYR 3.462 0.476 3 0 "[ . 1 . 2 .]"
1 99 ASP 1.188 0.252 3 0 "[ . 1 . 2 .]"
1 100 THR 0.487 0.108 14 0 "[ . 1 . 2 .]"
1 101 THR 2.867 0.322 15 0 "[ . 1 . 2 .]"
1 102 ASN 4.446 0.322 15 0 "[ . 1 . 2 .]"
1 103 PRO 0.266 0.076 18 0 "[ . 1 . 2 .]"
1 104 GLN 0.555 0.109 17 0 "[ . 1 . 2 .]"
1 105 TYR 1.180 0.102 19 0 "[ . 1 . 2 .]"
1 106 ASN 5.827 0.461 15 0 "[ . 1 . 2 .]"
1 107 SER 5.186 0.461 15 0 "[ . 1 . 2 .]"
1 108 VAL 2.241 0.227 2 0 "[ . 1 . 2 .]"
1 109 SER 1.966 0.227 2 0 "[ . 1 . 2 .]"
1 110 ARG 8.510 0.376 14 0 "[ . 1 . 2 .]"
1 111 GLN 3.121 0.196 10 0 "[ . 1 . 2 .]"
1 112 VAL 1.779 0.174 17 0 "[ . 1 . 2 .]"
1 113 GLU 2.704 0.307 17 0 "[ . 1 . 2 .]"
1 114 ALA 2.296 0.167 22 0 "[ . 1 . 2 .]"
1 115 GLY 1.252 0.152 5 0 "[ . 1 . 2 .]"
1 116 ASP 1.772 0.198 13 0 "[ . 1 . 2 .]"
1 117 ALA 3.265 0.164 3 0 "[ . 1 . 2 .]"
1 118 VAL 12.869 0.788 17 1 "[ . 1 . + 2 .]"
1 119 SER 10.112 0.388 9 0 "[ . 1 . 2 .]"
1 120 VAL 23.830 0.925 17 25 [**********-*****+********]
1 121 VAL 7.561 0.150 17 0 "[ . 1 . 2 .]"
1 122 GLY 1.461 0.143 2 0 "[ . 1 . 2 .]"
1 123 THR 4.642 0.309 13 0 "[ . 1 . 2 .]"
1 124 ALA 4.642 0.309 13 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA MB 1 3 PHE H 2.720 . 3.536 2.997 1.881 3.691 0.155 3 0 "[ . 1 . 2 .]" 1
2 1 3 PHE H 1 3 PHE QD 2.881 2.017 4.045 3.683 2.324 4.229 0.184 4 0 "[ . 1 . 2 .]" 1
3 1 3 PHE H 1 3 PHE HA 2.788 . 3.624 2.793 2.230 2.929 . 0 0 "[ . 1 . 2 .]" 1
4 1 3 PHE H 1 3 PHE HB2 2.623 . 3.410 2.752 2.195 3.641 0.231 23 0 "[ . 1 . 2 .]" 1
5 1 3 PHE H 1 3 PHE HB3 2.607 . 3.389 2.930 2.307 3.574 0.185 12 0 "[ . 1 . 2 .]" 1
6 1 3 PHE QD 1 4 GLY H 3.192 2.234 4.150 3.422 2.110 4.302 0.152 14 0 "[ . 1 . 2 .]" 1
7 1 3 PHE HA 1 4 GLY H 2.806 . 3.648 2.956 2.156 3.547 . 0 0 "[ . 1 . 2 .]" 1
8 1 3 PHE QD 1 5 GLY H 2.955 2.068 3.842 3.484 2.063 4.116 0.274 5 0 "[ . 1 . 2 .]" 1
9 1 3 PHE HA 1 5 GLY H 3.692 2.584 4.800 4.079 3.014 4.990 0.190 24 0 "[ . 1 . 2 .]" 1
10 1 4 GLY H 1 5 GLY H 2.989 2.092 3.886 2.325 1.959 3.006 0.133 15 0 "[ . 1 . 2 .]" 1
11 1 4 GLY HA3 1 5 GLY H 2.689 . 3.496 3.242 2.620 3.516 0.020 3 0 "[ . 1 . 2 .]" 1
12 1 4 GLY HA2 1 5 GLY H 2.724 . 3.541 3.190 2.830 3.539 . 0 0 "[ . 1 . 2 .]" 1
13 1 5 GLY HA2 1 6 THR H 2.369 . 3.080 2.320 2.103 3.018 . 0 0 "[ . 1 . 2 .]" 1
14 1 5 GLY HA3 1 6 THR H 2.533 . 3.293 2.959 2.162 3.318 0.025 17 0 "[ . 1 . 2 .]" 1
15 1 6 THR MG 1 7 LEU H 3.335 2.335 4.335 2.530 2.300 3.332 0.035 24 0 "[ . 1 . 2 .]" 1
16 1 6 THR HA 1 7 LEU H 3.153 2.207 4.099 2.185 2.150 2.219 0.057 2 0 "[ . 1 . 2 .]" 1
17 1 6 THR HB 1 7 LEU H 3.565 2.496 4.634 3.983 3.747 4.377 . 0 0 "[ . 1 . 2 .]" 1
18 1 6 THR H 1 7 LEU H 3.520 2.464 4.576 4.348 3.646 4.582 0.006 24 0 "[ . 1 . 2 .]" 1
19 1 7 LEU H 1 7 LEU HG 3.498 2.449 4.547 3.441 2.726 3.760 . 0 0 "[ . 1 . 2 .]" 1
20 1 7 LEU H 1 7 LEU HA 3.932 2.752 5.000 2.926 2.906 2.947 . 0 0 "[ . 1 . 2 .]" 1
21 1 7 LEU H 1 8 THR H 3.701 2.591 4.811 4.341 3.718 4.406 . 0 0 "[ . 1 . 2 .]" 1
22 1 7 LEU HB2 1 8 THR H 3.182 2.227 4.137 3.327 2.963 4.370 0.233 17 0 "[ . 1 . 2 .]" 1
23 1 7 LEU H 1 118 VAL H 3.814 2.670 4.958 3.199 2.805 3.881 . 0 0 "[ . 1 . 2 .]" 1
24 1 7 LEU H 1 118 VAL MG2 4.142 2.899 5.385 4.520 3.723 4.680 . 0 0 "[ . 1 . 2 .]" 1
25 1 7 LEU H 1 118 VAL MG1 3.908 2.736 5.080 3.383 3.039 3.639 . 0 0 "[ . 1 . 2 .]" 1
26 1 7 LEU H 1 119 SER HA 3.874 2.712 5.036 3.198 2.934 3.624 . 0 0 "[ . 1 . 2 .]" 1
27 1 7 LEU HA 1 8 THR H 2.985 2.090 3.880 2.593 2.238 2.735 . 0 0 "[ . 1 . 2 .]" 1
28 1 8 THR H 1 8 THR HA 3.315 2.320 4.310 2.938 2.861 2.949 . 0 0 "[ . 1 . 2 .]" 1
29 1 8 THR H 1 8 THR HB 3.093 2.165 4.021 2.671 2.187 3.161 . 0 0 "[ . 1 . 2 .]" 1
30 1 8 THR H 1 8 THR MG 2.930 2.051 4.109 3.818 2.400 3.938 . 0 0 "[ . 1 . 2 .]" 1
31 1 8 THR H 1 9 VAL H 4.147 2.903 5.391 4.440 4.380 4.548 . 0 0 "[ . 1 . 2 .]" 1
32 1 8 THR HA 1 9 VAL H 3.299 2.309 4.289 2.354 2.221 2.511 0.088 17 0 "[ . 1 . 2 .]" 1
33 1 8 THR HB 1 9 VAL H 3.608 2.526 4.690 3.754 3.607 4.215 . 0 0 "[ . 1 . 2 .]" 1
34 1 8 THR MG 1 9 VAL H 2.871 2.010 3.732 2.114 1.949 3.007 0.061 15 0 "[ . 1 . 2 .]" 1
35 1 9 VAL H 1 10 LYS H 4.718 . 6.133 4.430 4.202 4.627 . 0 0 "[ . 1 . 2 .]" 1
36 1 10 LYS H 1 30 LEU HA 3.996 . 5.195 2.415 2.004 3.220 . 0 0 "[ . 1 . 2 .]" 1
37 1 10 LYS H 1 31 THR H 4.532 2.472 5.892 3.819 3.308 4.628 . 0 0 "[ . 1 . 2 .]" 1
38 1 11 THR H 1 11 THR HA 3.427 2.399 4.455 2.931 2.882 2.946 . 0 0 "[ . 1 . 2 .]" 1
39 1 11 THR H 1 30 LEU HA 1.800 . 5.000 3.958 3.383 5.030 0.030 7 0 "[ . 1 . 2 .]" 1
40 1 11 THR H 1 114 ALA HA 1.800 . 5.000 4.631 3.691 5.167 0.167 22 0 "[ . 1 . 2 .]" 1
41 1 11 THR HA 1 12 GLN H 2.781 . 3.615 2.768 2.397 2.851 . 0 0 "[ . 1 . 2 .]" 1
42 1 12 GLN H 1 28 VAL QG 3.977 2.784 5.170 3.785 3.501 4.316 . 0 0 "[ . 1 . 2 .]" 1
43 1 12 GLN H 1 28 VAL HB 4.939 3.457 6.421 6.512 6.170 6.796 0.375 11 0 "[ . 1 . 2 .]" 1
44 1 12 GLN H 1 28 VAL HA 3.513 2.459 4.567 4.602 4.286 4.773 0.206 23 0 "[ . 1 . 2 .]" 1
45 1 13 PRO HA 1 14 THR H 2.956 2.069 3.843 2.213 2.149 2.282 . 0 0 "[ . 1 . 2 .]" 1
46 1 14 THR H 1 14 THR HA 3.579 2.505 4.653 2.897 2.874 2.941 . 0 0 "[ . 1 . 2 .]" 1
47 1 14 THR H 1 14 THR HB 3.232 2.262 4.202 3.282 2.893 3.505 . 0 0 "[ . 1 . 2 .]" 1
48 1 14 THR H 1 26 PHE QD 4.058 2.841 6.275 4.315 3.535 4.960 . 0 0 "[ . 1 . 2 .]" 1
49 1 14 THR H 1 26 PHE HA 4.415 3.091 5.739 3.875 3.056 4.893 0.035 6 0 "[ . 1 . 2 .]" 1
50 1 14 THR H 1 27 THR H 3.828 . 4.976 2.844 2.400 3.315 . 0 0 "[ . 1 . 2 .]" 1
51 1 14 THR HA 1 15 VAL H 2.913 . 3.787 2.158 2.049 2.336 . 0 0 "[ . 1 . 2 .]" 1
52 1 15 VAL HA 1 16 THR H 3.244 . 4.217 2.429 2.080 2.677 . 0 0 "[ . 1 . 2 .]" 1
53 1 16 THR H 1 16 THR HB 3.482 2.437 4.527 2.862 2.462 3.730 . 0 0 "[ . 1 . 2 .]" 1
54 1 16 THR H 1 16 THR MG 2.784 . 4.219 3.797 3.709 4.064 . 0 0 "[ . 1 . 2 .]" 1
55 1 16 THR MG 1 17 TYR H 2.847 . 4.001 3.154 2.763 3.511 . 0 0 "[ . 1 . 2 .]" 1
56 1 16 THR HA 1 17 TYR H 2.892 2.024 3.760 2.164 2.110 2.245 . 0 0 "[ . 1 . 2 .]" 1
57 1 17 TYR H 1 17 TYR QD 4.219 2.953 5.485 3.397 2.991 4.325 . 0 0 "[ . 1 . 2 .]" 1
58 1 17 TYR H 1 17 TYR HA 3.330 2.331 4.329 2.936 2.878 2.952 . 0 0 "[ . 1 . 2 .]" 1
59 1 17 TYR QD 1 18 ASN H 3.883 2.718 6.048 4.439 3.498 4.757 . 0 0 "[ . 1 . 2 .]" 1
60 1 17 TYR HA 1 18 ASN H 2.886 2.020 3.752 2.210 2.097 2.316 . 0 0 "[ . 1 . 2 .]" 1
61 1 18 ASN H 1 19 ALA MB 4.153 2.907 5.399 4.766 3.967 5.170 . 0 0 "[ . 1 . 2 .]" 1
62 1 18 ASN HA 1 20 VAL H 3.555 2.489 4.621 4.153 3.822 4.563 . 0 0 "[ . 1 . 2 .]" 1
63 1 18 ASN H 1 22 ASP HA 4.276 2.993 5.559 5.636 5.569 5.687 0.128 23 0 "[ . 1 . 2 .]" 1
64 1 18 ASN H 1 23 SER H 3.342 2.339 4.345 3.513 3.384 3.766 . 0 0 "[ . 1 . 2 .]" 1
65 1 18 ASN H 1 24 TYR H 3.945 2.762 5.128 4.761 4.494 5.061 . 0 0 "[ . 1 . 2 .]" 1
66 1 18 ASN H 1 24 TYR QE 3.801 2.661 4.941 3.842 3.197 4.264 . 0 0 "[ . 1 . 2 .]" 1
67 1 18 ASN H 1 24 TYR QD 3.184 2.229 4.139 2.993 2.228 3.636 0.001 20 0 "[ . 1 . 2 .]" 1
68 1 18 ASN H 1 24 TYR HA 3.542 2.479 4.605 3.114 2.782 3.341 . 0 0 "[ . 1 . 2 .]" 1
69 1 18 ASN HA 1 19 ALA H 2.636 . 3.427 2.202 2.131 2.331 . 0 0 "[ . 1 . 2 .]" 1
70 1 19 ALA H 1 19 ALA MB 2.551 . 3.316 2.340 2.272 2.406 . 0 0 "[ . 1 . 2 .]" 1
71 1 19 ALA H 1 20 VAL H 3.171 2.220 4.122 2.277 2.101 2.506 0.119 15 0 "[ . 1 . 2 .]" 1
72 1 19 ALA H 1 21 LYS HA 4.574 3.202 6.246 6.313 6.033 6.436 0.190 9 0 "[ . 1 . 2 .]" 1
73 1 19 ALA H 1 21 LYS H 3.750 2.625 4.875 3.417 3.192 3.528 . 0 0 "[ . 1 . 2 .]" 1
74 1 19 ALA H 1 22 ASP H 3.981 2.787 5.175 4.272 3.753 4.475 . 0 0 "[ . 1 . 2 .]" 1
75 1 19 ALA H 1 24 TYR QE 3.868 2.708 5.028 4.002 3.304 4.908 . 0 0 "[ . 1 . 2 .]" 1
76 1 19 ALA H 1 24 TYR QD 4.124 2.887 5.361 5.302 4.844 5.663 0.302 1 0 "[ . 1 . 2 .]" 1
77 1 18 ASN HA 1 21 LYS H 4.684 3.279 6.089 4.394 4.002 4.653 . 0 0 "[ . 1 . 2 .]" 1
78 1 19 ALA H 1 21 LYS HG3 4.261 2.983 5.539 5.603 4.090 5.748 0.209 13 0 "[ . 1 . 2 .]" 1
79 1 19 ALA H 1 21 LYS HG2 4.008 2.806 5.210 4.789 4.464 5.661 0.451 18 0 "[ . 1 . 2 .]" 1
80 1 20 VAL H 1 21 LYS H 2.910 2.037 3.783 2.521 2.405 2.626 . 0 0 "[ . 1 . 2 .]" 1
81 1 21 LYS H 1 21 LYS HG2 2.859 2.001 3.717 2.295 2.077 2.998 . 0 0 "[ . 1 . 2 .]" 1
82 1 21 LYS H 1 21 LYS HE3 3.859 2.701 5.017 4.793 3.795 5.820 0.803 23 4 "[ . * 1 - . * + .]" 1
83 1 21 LYS H 1 21 LYS HB3 3.361 2.353 4.369 3.642 3.610 3.681 . 0 0 "[ . 1 . 2 .]" 1
84 1 21 LYS H 1 22 ASP H 2.995 2.097 3.893 2.179 2.097 2.308 . 0 0 "[ . 1 . 2 .]" 1
85 1 21 LYS HA 1 22 ASP H 2.845 . 3.699 3.260 3.182 3.372 . 0 0 "[ . 1 . 2 .]" 1
86 1 21 LYS H 1 23 SER H 3.937 2.756 5.118 4.065 3.586 4.643 . 0 0 "[ . 1 . 2 .]" 1
87 1 19 ALA MB 1 22 ASP H 3.244 2.271 4.217 4.176 4.024 4.257 0.040 19 0 "[ . 1 . 2 .]" 1
88 1 22 ASP H 1 22 ASP HB3 3.152 2.206 4.098 3.878 3.524 4.130 0.032 18 0 "[ . 1 . 2 .]" 1
89 1 22 ASP H 1 22 ASP HB2 3.252 2.276 4.228 3.282 2.997 3.533 . 0 0 "[ . 1 . 2 .]" 1
90 1 22 ASP H 1 23 SER H 2.881 2.017 3.745 2.927 2.650 3.123 . 0 0 "[ . 1 . 2 .]" 1
91 1 22 ASP HB3 1 23 SER H 3.521 2.465 4.577 4.360 4.226 4.481 . 0 0 "[ . 1 . 2 .]" 1
92 1 17 TYR HA 1 23 SER H 3.681 2.577 6.085 5.336 5.031 5.632 . 0 0 "[ . 1 . 2 .]" 1
93 1 19 ALA MB 1 23 SER H 3.566 2.496 4.636 4.758 4.416 4.861 0.225 11 0 "[ . 1 . 2 .]" 1
94 1 22 ASP HA 1 23 SER H 2.803 . 3.644 2.520 2.385 2.800 . 0 0 "[ . 1 . 2 .]" 1
95 1 23 SER H 1 23 SER HA 3.298 2.309 4.287 2.927 2.898 2.954 . 0 0 "[ . 1 . 2 .]" 1
96 1 23 SER H 1 23 SER HB2 3.228 2.260 4.196 2.901 2.647 3.329 . 0 0 "[ . 1 . 2 .]" 1
97 1 23 SER H 1 23 SER HB3 3.269 2.288 4.250 3.685 2.744 3.940 . 0 0 "[ . 1 . 2 .]" 1
98 1 17 TYR H 1 24 TYR HA 4.472 3.130 5.814 5.082 4.741 5.413 . 0 0 "[ . 1 . 2 .]" 1
99 1 22 ASP H 1 24 TYR QD 5.198 3.639 6.757 5.928 4.943 6.739 . 0 0 "[ . 1 . 2 .]" 1
100 1 23 SER H 1 24 TYR H 3.724 2.607 4.841 3.940 3.590 4.341 . 0 0 "[ . 1 . 2 .]" 1
101 1 23 SER HA 1 24 TYR H 2.968 2.078 3.858 2.163 2.118 2.202 . 0 0 "[ . 1 . 2 .]" 1
102 1 23 SER HB2 1 24 TYR H 3.035 2.124 4.446 4.361 4.165 4.532 0.086 18 0 "[ . 1 . 2 .]" 1
103 1 23 SER HB3 1 24 TYR H 3.220 2.254 4.186 3.834 3.282 4.318 0.132 10 0 "[ . 1 . 2 .]" 1
104 1 24 TYR H 1 24 TYR QD 4.904 3.433 6.375 3.381 3.252 3.614 0.181 6 0 "[ . 1 . 2 .]" 1
105 1 24 TYR H 1 24 TYR HA 3.583 2.508 4.658 2.945 2.932 2.951 . 0 0 "[ . 1 . 2 .]" 1
106 1 24 TYR H 1 24 TYR QB 3.253 2.277 4.089 2.601 2.255 2.811 0.022 10 0 "[ . 1 . 2 .]" 1
107 1 24 TYR QD 1 25 GLN H 4.260 2.982 5.538 4.371 4.182 4.556 . 0 0 "[ . 1 . 2 .]" 1
108 1 24 TYR H 1 94 GLY H 1.800 . 5.000 4.125 3.265 5.394 0.394 20 0 "[ . 1 . 2 .]" 1
109 1 16 THR HB 1 25 GLN H 4.160 2.912 5.408 3.546 2.926 4.120 . 0 0 "[ . 1 . 2 .]" 1
110 1 16 THR MG 1 25 GLN H 3.303 2.312 4.294 4.167 3.719 4.336 0.042 17 0 "[ . 1 . 2 .]" 1
111 1 16 THR H 1 25 GLN H 3.475 2.432 4.518 4.498 3.279 4.858 0.340 22 0 "[ . 1 . 2 .]" 1
112 1 16 THR H 1 25 GLN QB 3.571 2.500 4.642 4.057 3.422 4.712 0.070 12 0 "[ . 1 . 2 .]" 1
113 1 17 TYR QE 1 25 GLN H 4.404 3.083 6.725 5.089 3.814 6.267 . 0 0 "[ . 1 . 2 .]" 1
114 1 17 TYR QD 1 25 GLN H 3.364 2.355 5.673 4.296 3.153 5.174 . 0 0 "[ . 1 . 2 .]" 1
115 1 17 TYR HA 1 25 GLN H 3.560 2.492 4.628 3.581 3.018 4.157 . 0 0 "[ . 1 . 2 .]" 1
116 1 24 TYR HA 1 25 GLN H 3.067 2.147 3.987 2.175 2.109 2.235 0.038 9 0 "[ . 1 . 2 .]" 1
117 1 24 TYR QB 1 25 GLN H 3.338 2.337 4.330 3.495 3.165 3.689 . 0 0 "[ . 1 . 2 .]" 1
118 1 25 GLN H 1 25 GLN HA 3.759 2.631 4.887 2.949 2.928 2.968 . 0 0 "[ . 1 . 2 .]" 1
119 1 25 GLN H 1 25 GLN QB 3.651 2.741 4.746 2.659 2.430 2.761 0.311 18 0 "[ . 1 . 2 .]" 1
120 1 25 GLN H 1 26 PHE H 3.742 2.619 4.865 4.441 4.200 4.520 . 0 0 "[ . 1 . 2 .]" 1
121 1 25 GLN H 1 94 GLY H 1.800 . 5.000 4.673 3.723 5.063 0.063 22 0 "[ . 1 . 2 .]" 1
122 1 25 GLN HA 1 26 PHE H 3.170 2.219 4.121 2.444 2.197 2.693 0.022 20 0 "[ . 1 . 2 .]" 1
123 1 25 GLN QB 1 26 PHE H 3.221 2.307 4.187 2.509 2.165 3.243 0.142 6 0 "[ . 1 . 2 .]" 1
124 1 26 PHE H 1 26 PHE QE 4.388 3.072 5.704 4.474 4.161 4.899 . 0 0 "[ . 1 . 2 .]" 1
125 1 26 PHE H 1 26 PHE QD 3.820 2.674 4.966 2.982 2.614 3.603 0.060 5 0 "[ . 1 . 2 .]" 1
126 1 26 PHE H 1 26 PHE HA 4.010 2.807 5.213 2.867 2.814 2.929 . 0 0 "[ . 1 . 2 .]" 1
127 1 26 PHE H 1 92 LEU HA 3.930 2.751 5.109 4.706 4.501 4.912 . 0 0 "[ . 1 . 2 .]" 1
128 1 26 PHE H 1 93 SER HA 1.800 . 5.000 3.341 2.798 3.616 . 0 0 "[ . 1 . 2 .]" 1
129 1 26 PHE H 1 94 GLY H 1.800 . 5.000 4.630 1.896 5.099 0.099 13 0 "[ . 1 . 2 .]" 1
130 1 14 THR HB 1 27 THR H 3.908 2.736 5.580 5.556 4.713 5.747 0.167 6 0 "[ . 1 . 2 .]" 1
131 1 26 PHE H 1 27 THR H 3.517 2.462 4.572 4.267 4.109 4.458 . 0 0 "[ . 1 . 2 .]" 1
132 1 26 PHE QD 1 27 THR H 3.849 2.694 5.004 4.243 3.418 4.705 . 0 0 "[ . 1 . 2 .]" 1
133 1 26 PHE HA 1 27 THR H 3.421 2.395 4.447 2.229 2.182 2.327 0.213 17 0 "[ . 1 . 2 .]" 1
134 1 27 THR H 1 27 THR HA 3.824 2.677 4.971 2.941 2.912 2.959 . 0 0 "[ . 1 . 2 .]" 1
135 1 27 THR H 1 28 VAL H 3.573 2.501 4.645 4.514 4.483 4.544 . 0 0 "[ . 1 . 2 .]" 1
136 1 27 THR H 1 28 VAL HA 3.868 2.708 5.028 5.063 4.914 5.117 0.089 17 0 "[ . 1 . 2 .]" 1
137 1 27 THR HA 1 90 VAL H 4.376 3.063 5.689 5.586 5.313 5.789 0.100 5 0 "[ . 1 . 2 .]" 1
138 1 27 THR HA 1 28 VAL H 3.178 2.225 4.131 2.230 2.199 2.268 0.026 7 0 "[ . 1 . 2 .]" 1
139 1 28 VAL H 1 90 VAL HA 3.726 2.608 4.844 4.865 4.680 5.002 0.158 22 0 "[ . 1 . 2 .]" 1
140 1 28 VAL H 1 90 VAL H 3.530 2.471 4.589 3.706 3.401 3.934 . 0 0 "[ . 1 . 2 .]" 1
141 1 11 THR H 1 29 THR H 1.800 . 5.000 3.885 2.888 4.452 . 0 0 "[ . 1 . 2 .]" 1
142 1 11 THR MG 1 29 THR H 1.800 . 5.000 3.270 2.705 3.594 . 0 0 "[ . 1 . 2 .]" 1
143 1 28 VAL HA 1 29 THR H 3.286 2.300 4.272 2.205 2.170 2.242 0.130 18 0 "[ . 1 . 2 .]" 1
144 1 29 THR H 1 30 LEU HA 3.990 2.793 5.187 4.912 4.707 5.100 . 0 0 "[ . 1 . 2 .]" 1
145 1 29 THR H 1 30 LEU H 4.484 3.139 5.829 4.353 4.200 4.507 . 0 0 "[ . 1 . 2 .]" 1
146 1 30 LEU H 1 30 LEU HA 3.444 2.411 4.477 2.939 2.908 2.948 . 0 0 "[ . 1 . 2 .]" 1
147 1 30 LEU H 1 31 THR H 3.791 2.654 4.928 4.471 4.434 4.505 . 0 0 "[ . 1 . 2 .]" 1
148 1 30 LEU H 1 88 VAL HB 3.873 2.711 5.535 5.697 5.524 5.764 0.229 5 0 "[ . 1 . 2 .]" 1
149 1 30 LEU H 1 89 THR MG 3.386 2.370 4.402 3.904 3.739 4.140 . 0 0 "[ . 1 . 2 .]" 1
150 1 30 LEU H 1 90 VAL H 3.962 2.773 5.151 3.640 3.359 4.038 . 0 0 "[ . 1 . 2 .]" 1
151 1 8 THR H 1 31 THR H 3.317 2.322 4.312 3.099 2.667 3.925 . 0 0 "[ . 1 . 2 .]" 1
152 1 8 THR HB 1 31 THR H 4.040 2.828 5.252 3.401 2.993 5.061 . 0 0 "[ . 1 . 2 .]" 1
153 1 9 VAL H 1 31 THR HB 4.178 2.925 5.731 5.881 5.765 6.065 0.334 17 0 "[ . 1 . 2 .]" 1
154 1 30 LEU HA 1 31 THR H 3.264 2.285 4.243 2.425 2.341 2.495 . 0 0 "[ . 1 . 2 .]" 1
155 1 31 THR H 1 31 THR HB 3.661 2.563 4.759 3.395 3.241 3.603 . 0 0 "[ . 1 . 2 .]" 1
156 1 31 THR H 1 31 THR HA 3.797 2.658 4.936 2.940 2.924 2.953 . 0 0 "[ . 1 . 2 .]" 1
157 1 31 THR HB 1 32 GLY H 3.567 2.497 4.637 3.274 2.929 4.077 . 0 0 "[ . 1 . 2 .]" 1
158 1 31 THR MG 1 32 GLY H 3.425 2.397 4.453 3.181 2.718 3.938 . 0 0 "[ . 1 . 2 .]" 1
159 1 31 THR HA 1 32 GLY H 3.389 2.372 4.406 2.273 2.195 2.341 0.177 16 0 "[ . 1 . 2 .]" 1
160 1 32 GLY H 1 87 ASP HA 3.984 2.789 5.179 2.877 2.728 3.605 0.061 2 0 "[ . 1 . 2 .]" 1
161 1 7 LEU HG 1 33 ALA H 1.800 . 5.000 4.996 4.663 5.136 0.136 17 0 "[ . 1 . 2 .]" 1
162 1 33 ALA MB 1 86 GLY H 1.800 . 6.500 5.373 2.928 5.909 . 0 0 "[ . 1 . 2 .]" 1
163 1 33 ALA HA 1 86 GLY H 1.800 . 5.000 4.814 2.659 5.322 0.322 12 0 "[ . 1 . 2 .]" 1
164 1 33 ALA HA 1 34 THR H 3.134 2.194 4.074 2.600 2.248 2.698 . 0 0 "[ . 1 . 2 .]" 1
165 1 34 THR H 1 34 THR MG 3.287 2.301 4.273 3.715 3.608 3.950 . 0 0 "[ . 1 . 2 .]" 1
166 1 34 THR H 1 35 ALA H 3.839 2.687 4.991 4.453 3.958 4.588 . 0 0 "[ . 1 . 2 .]" 1
167 1 35 ALA H 1 36 SER H 4.029 . 5.238 4.516 4.488 4.584 . 0 0 "[ . 1 . 2 .]" 1
168 1 35 ALA H 1 84 SER QB 2.852 2.384 4.208 3.692 3.210 3.996 . 0 0 "[ . 1 . 2 .]" 1
169 1 35 ALA H 1 84 SER HA 3.934 . 5.114 2.307 1.847 4.038 . 0 0 "[ . 1 . 2 .]" 1
170 1 35 ALA MB 1 36 SER H 3.035 2.124 3.946 2.187 2.020 3.083 0.104 16 0 "[ . 1 . 2 .]" 1
171 1 36 SER H 1 36 SER HB2 2.910 2.037 3.783 3.460 3.063 4.085 0.302 12 0 "[ . 1 . 2 .]" 1
172 1 36 SER H 1 36 SER HA 2.982 2.087 3.877 2.257 2.216 2.269 . 0 0 "[ . 1 . 2 .]" 1
173 1 36 SER H 1 83 ASP HA 4.777 3.344 6.210 4.451 3.340 5.097 0.004 22 0 "[ . 1 . 2 .]" 1
174 1 36 SER H 1 37 VAL H 3.681 2.577 4.785 2.566 2.453 2.962 0.124 11 0 "[ . 1 . 2 .]" 1
175 1 37 VAL H 1 37 VAL HB 3.808 2.666 4.950 2.782 2.661 2.874 0.005 21 0 "[ . 1 . 2 .]" 1
176 1 37 VAL H 1 38 THR H 4.026 2.818 5.234 3.773 3.673 3.895 . 0 0 "[ . 1 . 2 .]" 1
177 1 37 VAL HB 1 38 THR H 4.036 2.825 5.247 4.427 4.371 4.473 . 0 0 "[ . 1 . 2 .]" 1
178 1 37 VAL HA 1 38 THR H 2.651 . 3.446 2.203 2.158 2.236 . 0 0 "[ . 1 . 2 .]" 1
179 1 38 THR H 1 38 THR HB 2.913 2.039 3.787 2.609 2.487 2.710 . 0 0 "[ . 1 . 2 .]" 1
180 1 38 THR H 1 39 GLY H 4.290 3.003 5.577 4.160 4.027 4.261 . 0 0 "[ . 1 . 2 .]" 1
181 1 38 THR HA 1 39 GLY H 3.154 2.208 4.100 2.193 2.154 2.236 0.054 23 0 "[ . 1 . 2 .]" 1
182 1 38 THR HB 1 39 GLY H 3.711 2.598 4.824 4.388 4.340 4.438 . 0 0 "[ . 1 . 2 .]" 1
183 1 38 THR MG 1 39 GLY H 3.061 2.143 3.979 3.383 3.207 3.534 . 0 0 "[ . 1 . 2 .]" 1
184 1 39 GLY H 1 39 GLY HA3 3.246 2.272 4.220 2.858 2.797 2.920 . 0 0 "[ . 1 . 2 .]" 1
185 1 39 GLY H 1 39 GLY HA2 3.280 2.296 4.264 2.305 2.283 2.360 0.013 5 0 "[ . 1 . 2 .]" 1
186 1 39 GLY H 1 40 PHE H 3.695 2.586 4.804 3.230 2.775 3.583 . 0 0 "[ . 1 . 2 .]" 1
187 1 39 GLY H 1 82 SER H 3.944 2.761 5.627 2.674 2.496 2.920 0.265 17 0 "[ . 1 . 2 .]" 1
188 1 40 PHE H 1 40 PHE HA 3.229 2.260 4.198 2.710 2.665 2.761 . 0 0 "[ . 1 . 2 .]" 1
189 1 40 PHE H 1 40 PHE QE 3.442 2.410 4.974 4.902 4.540 5.045 0.071 24 0 "[ . 1 . 2 .]" 1
190 1 40 PHE H 1 81 ASN HA 3.635 2.544 4.726 3.685 2.998 3.990 . 0 0 "[ . 1 . 2 .]" 1
191 1 40 PHE HA 1 41 LEU H 3.296 2.307 4.285 3.560 3.504 3.603 . 0 0 "[ . 1 . 2 .]" 1
192 1 41 LEU H 1 41 LEU HA 3.564 2.495 4.633 2.884 2.820 2.945 . 0 0 "[ . 1 . 2 .]" 1
193 1 41 LEU H 1 80 ALA H 3.630 2.541 4.719 3.700 2.504 4.766 0.047 10 0 "[ . 1 . 2 .]" 1
194 1 41 LEU H 1 42 LYS HA 3.971 2.780 5.162 4.641 4.359 4.846 . 0 0 "[ . 1 . 2 .]" 1
195 1 41 LEU H 1 42 LYS QG 3.657 2.560 4.754 4.124 3.773 4.674 . 0 0 "[ . 1 . 2 .]" 1
196 1 41 LEU H 1 42 LYS H 3.979 2.785 5.173 4.355 4.171 4.444 . 0 0 "[ . 1 . 2 .]" 1
197 1 41 LEU HA 1 42 LYS H 3.153 2.207 4.099 2.455 2.238 2.658 . 0 0 "[ . 1 . 2 .]" 1
198 1 42 LYS H 1 42 LYS HA 3.229 2.260 4.198 2.928 2.916 2.941 . 0 0 "[ . 1 . 2 .]" 1
199 1 42 LYS H 1 43 ALA H 3.552 2.486 4.618 4.309 4.275 4.361 . 0 0 "[ . 1 . 2 .]" 1
200 1 42 LYS HA 1 43 ALA H 2.801 . 3.641 2.732 2.676 2.775 . 0 0 "[ . 1 . 2 .]" 1
201 1 42 LYS H 1 42 LYS QG 3.091 2.164 3.922 3.101 2.759 3.403 . 0 0 "[ . 1 . 2 .]" 1
202 1 43 ALA H 1 43 ALA MB 2.960 2.072 3.848 2.218 2.200 2.232 . 0 0 "[ . 1 . 2 .]" 1
203 1 43 ALA H 1 44 GLY H 3.284 2.299 4.269 4.404 4.378 4.481 0.212 6 0 "[ . 1 . 2 .]" 1
204 1 43 ALA MB 1 44 GLY H 3.756 2.629 4.883 3.246 2.979 3.342 . 0 0 "[ . 1 . 2 .]" 1
205 1 44 GLY H 1 77 THR HA 1.800 . 5.000 3.172 2.817 3.516 . 0 0 "[ . 1 . 2 .]" 1
206 1 44 GLY H 1 45 ASP H 3.136 2.195 4.077 2.327 2.137 2.493 0.058 17 0 "[ . 1 . 2 .]" 1
207 1 45 ASP H 1 45 ASP HA 3.312 2.318 4.306 2.905 2.814 2.946 . 0 0 "[ . 1 . 2 .]" 1
208 1 45 ASP H 1 77 THR HA 1.800 . 5.000 5.024 4.733 5.136 0.136 6 0 "[ . 1 . 2 .]" 1
209 1 46 GLN H 1 46 GLN HA 3.598 2.519 4.677 2.931 2.900 2.945 . 0 0 "[ . 1 . 2 .]" 1
210 1 46 GLN H 1 47 VAL H 3.613 2.529 4.697 4.500 4.429 4.567 . 0 0 "[ . 1 . 2 .]" 1
211 1 46 GLN H 1 47 VAL HA 4.079 2.855 5.303 5.108 4.924 5.319 0.016 2 0 "[ . 1 . 2 .]" 1
212 1 46 GLN HA 1 76 VAL H 3.780 2.646 4.914 3.063 2.614 3.235 0.032 6 0 "[ . 1 . 2 .]" 1
213 1 46 GLN H 1 76 VAL H 4.331 3.032 5.630 4.902 4.595 5.203 . 0 0 "[ . 1 . 2 .]" 1
214 1 46 GLN H 1 121 VAL H 4.081 2.857 5.305 4.764 4.185 5.220 . 0 0 "[ . 1 . 2 .]" 1
215 1 46 GLN H 1 122 GLY H 4.158 2.911 5.405 4.425 3.157 5.499 0.094 17 0 "[ . 1 . 2 .]" 1
216 1 46 GLN HA 1 47 VAL H 3.053 2.137 3.969 2.252 2.135 2.568 0.002 9 0 "[ . 1 . 2 .]" 1
217 1 47 VAL H 1 47 VAL HA 3.491 2.444 4.538 2.942 2.886 2.951 . 0 0 "[ . 1 . 2 .]" 1
218 1 47 VAL H 1 47 VAL QG 3.093 2.452 4.021 2.106 2.045 2.356 0.407 9 0 "[ . 1 . 2 .]" 1
219 1 47 VAL HA 1 48 LYS H 3.244 2.271 4.217 2.459 2.228 2.620 0.043 17 0 "[ . 1 . 2 .]" 1
220 1 47 VAL QG 1 48 LYS H 3.468 2.428 4.508 3.013 2.751 3.494 . 0 0 "[ . 1 . 2 .]" 1
221 1 47 VAL H 1 73 THR MG 3.257 2.280 4.234 3.191 2.596 4.256 0.022 15 0 "[ . 1 . 2 .]" 1
222 1 47 VAL H 1 74 ALA H 3.781 2.647 4.915 2.927 2.615 3.251 0.032 12 0 "[ . 1 . 2 .]" 1
223 1 47 VAL HB 1 120 VAL H 4.307 3.015 5.599 5.420 3.676 5.650 0.051 10 0 "[ . 1 . 2 .]" 1
224 1 47 VAL HB 1 48 LYS H 3.207 . 4.169 2.245 1.829 3.100 0.016 7 0 "[ . 1 . 2 .]" 1
225 1 48 LYS H 1 48 LYS HA 3.568 2.498 4.638 2.925 2.873 2.953 . 0 0 "[ . 1 . 2 .]" 1
226 1 48 LYS H 1 120 VAL HA 3.699 2.589 4.809 2.906 2.547 3.659 0.042 7 0 "[ . 1 . 2 .]" 1
227 1 48 LYS H 1 120 VAL HB 3.955 2.769 5.641 5.555 3.700 5.838 0.197 5 0 "[ . 1 . 2 .]" 1
228 1 48 LYS H 1 120 VAL H 4.519 3.163 5.875 4.208 3.101 4.639 0.062 17 0 "[ . 1 . 2 .]" 1
229 1 48 LYS HA 1 49 PHE H 3.393 2.375 4.411 2.262 2.164 2.330 0.211 17 0 "[ . 1 . 2 .]" 1
230 1 49 PHE H 1 73 THR HA 3.964 . 5.153 3.424 2.267 3.829 . 0 0 "[ . 1 . 2 .]" 1
231 1 49 PHE H 1 73 THR MG 3.433 2.403 5.463 5.246 4.397 5.583 0.120 9 0 "[ . 1 . 2 .]" 1
232 1 50 THR H 1 50 THR MG 3.507 2.455 4.559 3.216 2.184 3.908 0.271 10 0 "[ . 1 . 2 .]" 1
233 1 50 THR H 1 117 ALA H 4.184 2.929 5.439 3.553 2.871 4.349 0.058 5 0 "[ . 1 . 2 .]" 1
234 1 50 THR H 1 118 VAL HA 3.051 2.136 3.966 3.406 2.778 4.710 0.744 17 1 "[ . 1 . + 2 .]" 1
235 1 50 THR H 1 51 ASN H 5.365 3.756 6.974 4.013 3.709 4.454 0.047 1 0 "[ . 1 . 2 .]" 1
236 1 50 THR HA 1 51 ASN H 3.800 . 4.940 2.179 2.054 2.286 . 0 0 "[ . 1 . 2 .]" 1
237 1 50 THR HB 1 51 ASN H 4.368 3.058 5.678 4.287 3.628 4.551 . 0 0 "[ . 1 . 2 .]" 1
238 1 50 THR MG 1 51 ASN H 3.610 2.527 4.693 3.784 2.524 4.332 0.003 22 0 "[ . 1 . 2 .]" 1
239 1 51 ASN H 1 52 THR H 4.009 2.806 5.212 4.280 3.647 4.591 . 0 0 "[ . 1 . 2 .]" 1
240 1 51 ASN H 1 71 SER HA 4.626 3.238 6.014 4.039 3.120 6.080 0.118 10 0 "[ . 1 . 2 .]" 1
241 1 52 THR H 1 68 THR MG 3.672 2.570 4.774 4.544 2.815 4.867 0.093 12 0 "[ . 1 . 2 .]" 1
242 1 55 LEU HA 1 56 GLN H 3.433 2.403 4.463 2.632 2.211 3.586 0.192 3 0 "[ . 1 . 2 .]" 1
243 1 56 GLN H 1 56 GLN HB2 2.801 . 3.641 2.468 2.243 2.640 . 0 0 "[ . 1 . 2 .]" 1
244 1 56 GLN H 1 57 GLN H 3.126 2.188 4.064 2.592 2.151 3.160 0.037 8 0 "[ . 1 . 2 .]" 1
245 1 56 GLN HA 1 57 GLN H 2.866 2.006 3.726 3.446 3.291 3.590 . 0 0 "[ . 1 . 2 .]" 1
246 1 57 GLN H 1 58 GLN H 2.845 . 3.699 2.563 2.092 3.068 . 0 0 "[ . 1 . 2 .]" 1
247 1 58 GLN H 1 58 GLN HA 2.876 2.013 3.739 2.853 2.745 2.941 . 0 0 "[ . 1 . 2 .]" 1
248 1 58 GLN HA 1 59 THR H 2.940 2.058 3.822 3.436 3.146 3.596 . 0 0 "[ . 1 . 2 .]" 1
249 1 59 THR H 1 60 LYS H 2.992 2.094 3.890 2.579 2.151 2.945 . 0 0 "[ . 1 . 2 .]" 1
250 1 60 LYS H 1 60 LYS HA 2.656 . 3.453 2.889 2.806 2.944 . 0 0 "[ . 1 . 2 .]" 1
251 1 60 LYS H 1 61 GLN H 2.157 . 2.804 2.487 2.164 2.864 0.060 11 0 "[ . 1 . 2 .]" 1
252 1 61 GLN H 1 61 GLN HA 2.611 . 3.394 2.742 2.202 2.942 . 0 0 "[ . 1 . 2 .]" 1
253 1 61 GLN H 1 61 GLN HB2 2.787 . 3.623 2.821 2.393 3.628 0.005 9 0 "[ . 1 . 2 .]" 1
254 1 61 GLN H 1 61 GLN QG 2.870 2.009 3.731 2.662 2.178 3.604 . 0 0 "[ . 1 . 2 .]" 1
255 1 61 GLN H 1 61 GLN HB3 2.835 . 3.685 3.762 3.587 4.009 0.324 15 0 "[ . 1 . 2 .]" 1
256 1 61 GLN H 1 62 ALA H 2.665 . 3.465 2.646 1.808 3.689 0.224 17 0 "[ . 1 . 2 .]" 1
257 1 61 GLN QG 1 62 ALA H 3.403 2.382 4.424 4.108 3.681 4.495 0.071 21 0 "[ . 1 . 2 .]" 1
258 1 61 GLN HA 1 62 ALA H 2.336 . 3.337 3.197 2.187 3.538 0.201 25 0 "[ . 1 . 2 .]" 1
259 1 61 GLN HB3 1 62 ALA H 3.144 2.201 4.387 3.818 2.113 4.436 0.088 8 0 "[ . 1 . 2 .]" 1
260 1 61 GLN HB2 1 62 ALA H 3.170 2.219 4.421 3.166 2.058 4.488 0.161 8 0 "[ . 1 . 2 .]" 1
261 1 62 ALA H 1 62 ALA MB 2.441 . 3.173 2.567 2.234 2.927 . 0 0 "[ . 1 . 2 .]" 1
262 1 62 ALA MB 1 63 LEU H 2.457 . 3.494 2.911 1.719 3.691 0.197 3 0 "[ . 1 . 2 .]" 1
263 1 62 ALA H 1 63 LEU H 1.800 . 5.000 3.574 2.160 4.568 . 0 0 "[ . 1 . 2 .]" 1
264 1 63 LEU H 1 63 LEU HA 2.391 . 3.108 2.728 2.251 2.945 . 0 0 "[ . 1 . 2 .]" 1
265 1 63 LEU H 1 64 TYR H 2.175 . 2.827 2.490 2.029 2.944 0.117 1 0 "[ . 1 . 2 .]" 1
266 1 63 LEU HA 1 64 TYR H 2.595 . 3.373 3.125 2.352 3.517 0.144 24 0 "[ . 1 . 2 .]" 1
267 1 64 TYR H 1 64 TYR HA 2.770 . 3.601 2.622 2.244 2.947 . 0 0 "[ . 1 . 2 .]" 1
268 1 64 TYR H 1 65 ASN H 2.975 2.083 3.867 3.114 2.047 4.034 0.167 24 0 "[ . 1 . 2 .]" 1
269 1 64 TYR HA 1 65 ASN H 2.651 . 3.446 2.859 2.071 3.552 0.106 8 0 "[ . 1 . 2 .]" 1
270 1 65 ASN H 1 65 ASN HA 2.704 . 3.515 2.800 2.257 2.945 . 0 0 "[ . 1 . 2 .]" 1
271 1 65 ASN HA 1 66 GLY H 2.849 . 3.704 2.638 2.138 3.566 . 0 0 "[ . 1 . 2 .]" 1
272 1 66 GLY H 1 67 ALA H 2.790 . 3.627 2.895 1.937 3.763 0.136 7 0 "[ . 1 . 2 .]" 1
273 1 67 ALA H 1 67 ALA HA 2.760 . 3.588 2.881 2.761 2.946 . 0 0 "[ . 1 . 2 .]" 1
274 1 67 ALA H 1 68 THR HA 3.565 2.496 4.634 4.636 4.447 4.771 0.137 2 0 "[ . 1 . 2 .]" 1
275 1 67 ALA H 1 68 THR H 2.949 2.064 4.134 3.835 2.065 4.312 0.178 24 0 "[ . 1 . 2 .]" 1
276 1 67 ALA HA 1 68 THR H 2.388 . 3.104 2.505 2.106 3.432 0.328 8 0 "[ . 1 . 2 .]" 1
277 1 68 THR H 1 68 THR HB 2.877 2.014 3.740 2.929 2.388 3.662 . 0 0 "[ . 1 . 2 .]" 1
278 1 71 SER H 1 71 SER HA 4.149 2.904 5.394 2.905 2.851 2.943 0.053 23 0 "[ . 1 . 2 .]" 1
279 1 71 SER H 1 72 PHE HA 4.522 3.165 5.879 4.860 4.256 5.423 . 0 0 "[ . 1 . 2 .]" 1
280 1 49 PHE H 1 72 PHE H 1.800 . 5.000 3.258 2.450 4.790 . 0 0 "[ . 1 . 2 .]" 1
281 1 50 THR MG 1 72 PHE H 1.800 . 6.500 5.333 4.067 6.506 0.006 23 0 "[ . 1 . 2 .]" 1
282 1 71 SER HA 1 72 PHE H 3.394 2.376 4.412 2.380 2.195 3.101 0.181 16 0 "[ . 1 . 2 .]" 1
283 1 72 PHE HA 1 73 THR H 2.793 . 3.631 2.441 2.157 3.178 . 0 0 "[ . 1 . 2 .]" 1
284 1 73 THR H 1 73 THR MG 3.531 2.472 4.590 3.787 3.736 3.979 . 0 0 "[ . 1 . 2 .]" 1
285 1 73 THR H 1 73 THR HA 3.700 2.590 4.810 2.893 2.829 2.945 . 0 0 "[ . 1 . 2 .]" 1
286 1 73 THR H 1 73 THR HB 3.114 2.180 4.048 2.476 2.362 2.990 . 0 0 "[ . 1 . 2 .]" 1
287 1 47 VAL HA 1 74 ALA H 4.368 3.058 5.678 4.579 4.423 4.867 . 0 0 "[ . 1 . 2 .]" 1
288 1 47 VAL HB 1 74 ALA H 3.062 2.143 3.981 4.168 4.007 4.269 0.288 23 0 "[ . 1 . 2 .]" 1
289 1 47 VAL QG 1 74 ALA H 3.315 2.321 4.309 2.535 1.954 2.806 0.367 17 0 "[ . 1 . 2 .]" 1
290 1 48 LYS HA 1 74 ALA H 3.088 2.162 4.014 3.052 2.508 3.809 . 0 0 "[ . 1 . 2 .]" 1
291 1 73 THR H 1 74 ALA H 3.965 2.776 5.154 4.454 3.984 4.588 . 0 0 "[ . 1 . 2 .]" 1
292 1 73 THR HA 1 74 ALA H 3.139 2.197 4.081 2.181 2.152 2.224 0.045 1 0 "[ . 1 . 2 .]" 1
293 1 73 THR HB 1 74 ALA H 3.466 2.426 4.506 4.236 4.027 4.426 . 0 0 "[ . 1 . 2 .]" 1
294 1 73 THR MG 1 74 ALA H 2.993 2.095 3.891 2.754 2.477 3.130 . 0 0 "[ . 1 . 2 .]" 1
295 1 74 ALA H 1 75 THR H 4.297 3.008 5.586 4.437 4.348 4.494 . 0 0 "[ . 1 . 2 .]" 1
296 1 74 ALA MB 1 75 THR H 3.025 2.118 3.932 2.115 2.004 2.472 0.114 14 0 "[ . 1 . 2 .]" 1
297 1 74 ALA HA 1 75 THR H 2.922 2.045 3.799 2.648 2.454 2.803 . 0 0 "[ . 1 . 2 .]" 1
298 1 75 THR H 1 75 THR HA 3.827 2.679 4.975 2.910 2.890 2.922 . 0 0 "[ . 1 . 2 .]" 1
299 1 75 THR H 1 76 VAL H 4.764 3.335 6.193 4.252 4.035 4.343 . 0 0 "[ . 1 . 2 .]" 1
300 1 75 THR MG 1 76 VAL H 2.941 2.059 4.423 2.653 2.456 3.035 . 0 0 "[ . 1 . 2 .]" 1
301 1 44 GLY H 1 76 VAL H 4.043 2.830 5.256 4.314 4.041 5.130 . 0 0 "[ . 1 . 2 .]" 1
302 1 44 GLY H 1 76 VAL HB 3.843 2.690 4.996 4.246 3.800 4.945 . 0 0 "[ . 1 . 2 .]" 1
303 1 77 THR H 1 91 THR H 1.800 . 5.000 4.093 3.697 4.456 . 0 0 "[ . 1 . 2 .]" 1
304 1 77 THR H 1 91 THR MG 1.800 . 6.500 4.751 4.220 5.075 . 0 0 "[ . 1 . 2 .]" 1
305 1 77 THR H 1 92 LEU HA 1.800 . 5.000 3.306 2.862 3.676 . 0 0 "[ . 1 . 2 .]" 1
306 1 42 LYS HA 1 78 ALA H 3.558 2.490 4.926 3.691 3.214 4.872 . 0 0 "[ . 1 . 2 .]" 1
307 1 43 ALA H 1 78 ALA H 3.452 2.416 4.488 3.895 3.525 4.507 0.019 21 0 "[ . 1 . 2 .]" 1
308 1 77 THR HA 1 78 ALA H 3.493 2.445 4.541 3.138 2.983 3.406 . 0 0 "[ . 1 . 2 .]" 1
309 1 78 ALA H 1 78 ALA MB 2.711 . 3.524 2.791 2.655 2.885 . 0 0 "[ . 1 . 2 .]" 1
310 1 78 ALA H 1 79 ASP H 3.943 2.760 5.126 4.354 4.303 4.406 . 0 0 "[ . 1 . 2 .]" 1
311 1 78 ALA MB 1 79 ASP H 2.643 . 3.736 2.025 1.823 2.357 0.027 7 0 "[ . 1 . 2 .]" 1
312 1 78 ALA H 1 91 THR H 4.943 3.460 6.426 4.648 3.889 5.151 . 0 0 "[ . 1 . 2 .]" 1
313 1 79 ASP H 1 79 ASP HA 2.628 . 3.417 2.806 2.744 2.847 . 0 0 "[ . 1 . 2 .]" 1
314 1 79 ASP H 1 80 ALA H 3.288 2.302 4.274 4.448 4.323 4.544 0.270 10 0 "[ . 1 . 2 .]" 1
315 1 79 ASP HA 1 80 ALA H 2.996 2.097 3.895 2.191 2.079 2.401 0.018 13 0 "[ . 1 . 2 .]" 1
316 1 80 ALA H 1 80 ALA MB 2.867 2.743 3.727 2.523 2.396 2.697 0.347 2 0 "[ . 1 . 2 .]" 1
317 1 39 GLY H 1 81 ASN H 4.447 3.113 6.081 5.269 4.952 5.610 . 0 0 "[ . 1 . 2 .]" 1
318 1 80 ALA HA 1 81 ASN H 2.825 . 3.672 2.344 2.122 2.698 . 0 0 "[ . 1 . 2 .]" 1
319 1 80 ALA MB 1 81 ASN H 2.741 . 3.563 2.761 2.068 3.430 . 0 0 "[ . 1 . 2 .]" 1
320 1 81 ASN H 1 81 ASN HA 3.502 2.451 4.553 2.886 2.760 2.952 . 0 0 "[ . 1 . 2 .]" 1
321 1 81 ASN H 1 82 SER H 3.505 2.453 4.557 4.394 4.057 4.638 0.081 21 0 "[ . 1 . 2 .]" 1
322 1 40 PHE H 1 82 SER H 3.677 2.574 4.780 3.440 3.225 3.730 . 0 0 "[ . 1 . 2 .]" 1
323 1 40 PHE QE 1 82 SER H 3.916 2.741 5.091 4.961 4.493 5.169 0.078 22 0 "[ . 1 . 2 .]" 1
324 1 40 PHE HA 1 82 SER H 3.677 2.574 5.280 5.441 5.390 5.529 0.249 12 0 "[ . 1 . 2 .]" 1
325 1 81 ASN HA 1 82 SER H 3.356 2.349 4.363 2.259 2.219 2.326 0.130 22 0 "[ . 1 . 2 .]" 1
326 1 82 SER H 1 82 SER HA 4.071 2.850 5.292 2.942 2.916 2.955 . 0 0 "[ . 1 . 2 .]" 1
327 1 82 SER H 1 83 ASP H 3.924 2.747 5.101 4.011 3.692 4.198 . 0 0 "[ . 1 . 2 .]" 1
328 1 82 SER HA 1 83 ASP H 3.214 2.250 4.678 2.243 2.160 2.276 0.090 12 0 "[ . 1 . 2 .]" 1
329 1 83 ASP H 1 83 ASP HA 3.875 2.712 5.038 2.934 2.922 2.946 . 0 0 "[ . 1 . 2 .]" 1
330 1 83 ASP H 1 84 SER H 4.028 2.820 5.236 4.485 4.400 4.530 . 0 0 "[ . 1 . 2 .]" 1
331 1 83 ASP HA 1 84 SER H 3.345 2.342 4.348 2.572 2.339 2.743 0.003 4 0 "[ . 1 . 2 .]" 1
332 1 83 ASP H 1 84 SER HA 4.395 3.077 5.713 5.436 4.888 5.582 . 0 0 "[ . 1 . 2 .]" 1
333 1 83 ASP H 1 85 GLY H 4.144 2.901 5.387 4.618 4.389 4.870 . 0 0 "[ . 1 . 2 .]" 1
334 1 83 ASP H 1 86 GLY H 3.922 2.745 5.599 3.815 3.211 4.285 . 0 0 "[ . 1 . 2 .]" 1
335 1 83 ASP H 1 87 ASP H 3.156 2.209 4.103 2.983 2.833 3.398 . 0 0 "[ . 1 . 2 .]" 1
336 1 83 ASP H 1 88 VAL HA 3.976 2.783 5.669 4.865 4.395 5.556 . 0 0 "[ . 1 . 2 .]" 1
337 1 83 ASP HB2 1 84 SER H 3.046 2.132 4.460 2.359 1.976 3.059 0.156 16 0 "[ . 1 . 2 .]" 1
338 1 84 SER H 1 84 SER HA 3.378 2.364 4.392 2.802 2.773 2.858 . 0 0 "[ . 1 . 2 .]" 1
339 1 84 SER H 1 84 SER QB 3.287 2.301 4.273 2.389 2.191 2.873 0.110 9 0 "[ . 1 . 2 .]" 1
340 1 84 SER QB 1 85 GLY H 2.743 . 3.866 2.835 2.669 3.616 . 0 0 "[ . 1 . 2 .]" 1
341 1 83 ASP HA 1 85 GLY H 4.179 2.925 5.433 4.383 3.990 4.577 . 0 0 "[ . 1 . 2 .]" 1
342 1 84 SER H 1 85 GLY H 3.348 2.343 4.353 2.688 2.583 2.789 . 0 0 "[ . 1 . 2 .]" 1
343 1 85 GLY H 1 86 GLY H 3.002 2.101 3.903 2.556 2.256 2.729 . 0 0 "[ . 1 . 2 .]" 1
344 1 85 GLY H 1 87 ASP H 3.364 2.355 4.373 3.983 3.814 4.234 . 0 0 "[ . 1 . 2 .]" 1
345 1 83 ASP HB2 1 87 ASP H 3.784 2.649 4.919 5.044 4.781 5.398 0.479 13 0 "[ . 1 . 2 .]" 1
346 1 86 GLY H 1 87 ASP H 3.199 2.239 4.159 2.748 2.361 3.002 . 0 0 "[ . 1 . 2 .]" 1
347 1 87 ASP H 1 87 ASP HA 3.728 2.610 4.846 2.948 2.919 2.957 . 0 0 "[ . 1 . 2 .]" 1
348 1 87 ASP H 1 87 ASP HB2 2.992 2.094 3.890 2.889 2.433 3.764 . 0 0 "[ . 1 . 2 .]" 1
349 1 87 ASP H 1 87 ASP HB3 3.186 2.230 4.142 3.138 2.443 3.777 . 0 0 "[ . 1 . 2 .]" 1
350 1 30 LEU H 1 88 VAL H 5.267 3.687 6.847 3.724 3.644 3.820 0.043 24 0 "[ . 1 . 2 .]" 1
351 1 30 LEU HA 1 88 VAL H 3.737 2.616 4.858 4.819 4.718 4.940 0.082 16 0 "[ . 1 . 2 .]" 1
352 1 31 THR MG 1 88 VAL H 2.986 2.090 4.182 3.784 3.539 4.158 . 0 0 "[ . 1 . 2 .]" 1
353 1 31 THR HA 1 88 VAL H 3.577 2.504 4.650 2.504 2.416 2.613 0.088 5 0 "[ . 1 . 2 .]" 1
354 1 31 THR HB 1 88 VAL H 4.044 2.831 5.000 5.240 5.161 5.289 0.289 14 0 "[ . 1 . 2 .]" 1
355 1 82 SER HA 1 88 VAL H 4.181 2.927 5.435 5.562 5.448 5.727 0.292 17 0 "[ . 1 . 2 .]" 1
356 1 82 SER H 1 88 VAL HB 3.931 2.752 5.110 4.892 4.610 5.220 0.110 4 0 "[ . 1 . 2 .]" 1
357 1 83 ASP H 1 88 VAL HB 3.721 2.605 4.837 4.712 4.059 4.941 0.104 7 0 "[ . 1 . 2 .]" 1
358 1 87 ASP HA 1 88 VAL H 3.166 2.216 4.116 2.159 2.117 2.206 0.099 1 0 "[ . 1 . 2 .]" 1
359 1 87 ASP HB2 1 88 VAL H 3.292 2.304 4.280 4.098 3.325 4.518 0.238 17 0 "[ . 1 . 2 .]" 1
360 1 87 ASP HB3 1 88 VAL H 3.478 2.434 4.522 3.672 2.871 4.441 . 0 0 "[ . 1 . 2 .]" 1
361 1 88 VAL H 1 88 VAL HB 3.424 2.397 4.451 3.492 3.271 3.686 . 0 0 "[ . 1 . 2 .]" 1
362 1 28 VAL H 1 89 THR HA 3.402 2.381 5.423 5.279 4.983 5.470 0.047 11 0 "[ . 1 . 2 .]" 1
363 1 29 THR H 1 89 THR HA 4.175 2.923 5.427 4.879 4.588 5.059 . 0 0 "[ . 1 . 2 .]" 1
364 1 30 LEU H 1 89 THR H 4.251 2.976 5.526 4.249 4.136 4.400 . 0 0 "[ . 1 . 2 .]" 1
365 1 80 ALA HA 1 89 THR H 4.697 3.288 6.106 4.359 3.440 5.438 . 0 0 "[ . 1 . 2 .]" 1
366 1 88 VAL H 1 89 THR H 3.741 2.619 4.863 4.028 3.696 4.497 . 0 0 "[ . 1 . 2 .]" 1
367 1 88 VAL HA 1 89 THR H 3.071 2.150 3.992 2.219 2.166 2.414 . 0 0 "[ . 1 . 2 .]" 1
368 1 88 VAL HB 1 89 THR H 3.386 2.370 4.402 4.226 3.559 4.451 0.049 21 0 "[ . 1 . 2 .]" 1
369 1 89 THR H 1 89 THR HA 3.462 2.423 4.501 2.938 2.916 2.959 . 0 0 "[ . 1 . 2 .]" 1
370 1 89 THR H 1 89 THR HB 3.135 2.194 4.076 2.521 2.425 2.862 . 0 0 "[ . 1 . 2 .]" 1
371 1 89 THR HB 1 90 VAL H 3.783 3.464 4.918 4.289 4.170 4.379 . 0 0 "[ . 1 . 2 .]" 1
372 1 90 VAL H 1 90 VAL HB 3.529 2.470 4.588 3.761 3.456 3.970 . 0 0 "[ . 1 . 2 .]" 1
373 1 90 VAL HA 1 91 THR H 3.275 2.292 4.258 2.297 2.204 2.391 0.088 22 0 "[ . 1 . 2 .]" 1
374 1 90 VAL HB 1 91 THR H 3.497 2.448 4.546 3.043 2.351 3.999 0.097 3 0 "[ . 1 . 2 .]" 1
375 1 28 VAL H 1 91 THR HB 3.680 2.576 4.784 5.119 5.054 5.180 0.396 15 0 "[ . 1 . 2 .]" 1
376 1 78 ALA MB 1 91 THR H 3.368 2.358 4.378 3.247 2.311 4.000 0.047 6 0 "[ . 1 . 2 .]" 1
377 1 78 ALA H 1 91 THR HB 5.465 3.826 7.104 5.709 4.758 6.498 . 0 0 "[ . 1 . 2 .]" 1
378 1 91 THR H 1 91 THR HA 3.723 2.606 4.840 2.923 2.886 2.940 . 0 0 "[ . 1 . 2 .]" 1
379 1 91 THR H 1 91 THR HB 3.315 2.321 4.309 2.407 2.325 2.533 . 0 0 "[ . 1 . 2 .]" 1
380 1 26 PHE H 1 92 LEU H 2.942 2.059 3.825 3.151 2.923 3.383 . 0 0 "[ . 1 . 2 .]" 1
381 1 26 PHE QD 1 92 LEU H 4.497 3.148 5.846 3.982 3.467 4.414 . 0 0 "[ . 1 . 2 .]" 1
382 1 27 THR HA 1 92 LEU H 3.873 2.711 5.035 2.873 2.683 3.142 0.028 22 0 "[ . 1 . 2 .]" 1
383 1 91 THR HB 1 92 LEU H 4.245 2.971 5.519 4.021 3.898 4.137 . 0 0 "[ . 1 . 2 .]" 1
384 1 91 THR H 1 92 LEU H 3.756 2.629 4.883 4.477 4.373 4.574 . 0 0 "[ . 1 . 2 .]" 1
385 1 91 THR MG 1 92 LEU H 3.144 2.201 4.087 2.354 2.186 2.568 0.015 2 0 "[ . 1 . 2 .]" 1
386 1 92 LEU H 1 92 LEU HA 3.365 2.356 4.374 2.933 2.920 2.945 . 0 0 "[ . 1 . 2 .]" 1
387 1 92 LEU H 1 92 LEU HG 3.230 2.261 4.199 3.622 3.252 4.224 0.025 22 0 "[ . 1 . 2 .]" 1
388 1 26 PHE H 1 93 SER H 1.800 . 5.000 4.764 4.450 4.904 . 0 0 "[ . 1 . 2 .]" 1
389 1 75 THR MG 1 93 SER H 1.800 . 6.500 3.910 3.352 4.466 . 0 0 "[ . 1 . 2 .]" 1
390 1 75 THR H 1 93 SER H 1.800 . 5.000 3.924 3.193 4.668 . 0 0 "[ . 1 . 2 .]" 1
391 1 76 VAL HA 1 93 SER H 1.800 . 5.000 4.269 3.633 5.002 0.002 4 0 "[ . 1 . 2 .]" 1
392 1 25 GLN HA 1 94 GLY H 1.800 . 5.000 2.664 1.889 3.188 . 0 0 "[ . 1 . 2 .]" 1
393 1 25 GLN QB 1 94 GLY H 1.800 . 5.000 4.057 3.904 4.423 . 0 0 "[ . 1 . 2 .]" 1
394 1 96 PRO HA 1 97 ILE H 3.142 2.199 4.085 2.513 2.138 2.794 0.061 5 0 "[ . 1 . 2 .]" 1
395 1 97 ILE H 1 97 ILE HA 3.532 2.472 4.592 2.912 2.863 2.948 . 0 0 "[ . 1 . 2 .]" 1
396 1 97 ILE H 1 97 ILE HB 3.019 2.113 3.925 3.013 2.262 3.825 . 0 0 "[ . 1 . 2 .]" 1
397 1 97 ILE H 1 97 ILE MG 2.677 . 3.480 2.991 1.833 3.785 0.305 6 0 "[ . 1 . 2 .]" 1
398 1 97 ILE H 1 98 TYR H 4.053 2.837 5.269 4.301 3.906 4.571 . 0 0 "[ . 1 . 2 .]" 1
399 1 97 ILE H 1 98 TYR QD 3.762 2.634 5.190 4.794 3.525 5.313 0.123 3 0 "[ . 1 . 2 .]" 1
400 1 97 ILE HB 1 98 TYR H 4.131 2.892 5.370 3.904 2.724 4.486 0.168 10 0 "[ . 1 . 2 .]" 1
401 1 97 ILE HA 1 98 TYR H 3.140 2.198 4.082 2.195 2.114 2.554 0.084 15 0 "[ . 1 . 2 .]" 1
402 1 97 ILE QG 1 98 TYR H 4.416 3.091 4.592 3.898 2.615 4.592 0.476 3 0 "[ . 1 . 2 .]" 1
403 1 98 TYR H 1 98 TYR HA 3.752 . 4.878 2.289 2.042 2.815 . 0 0 "[ . 1 . 2 .]" 1
404 1 98 TYR QD 1 99 ASP H 3.488 2.441 4.535 4.264 3.076 4.787 0.252 3 0 "[ . 1 . 2 .]" 1
405 1 99 ASP H 1 99 ASP HB2 3.162 2.214 4.110 2.983 2.404 3.711 . 0 0 "[ . 1 . 2 .]" 1
406 1 99 ASP HA 1 100 THR H 2.911 2.038 3.784 3.231 2.411 3.591 . 0 0 "[ . 1 . 2 .]" 1
407 1 99 ASP H 1 100 THR H 2.262 . 2.941 2.567 1.896 3.028 0.087 10 0 "[ . 1 . 2 .]" 1
408 1 100 THR H 1 100 THR MG 2.853 . 3.709 2.725 2.374 3.452 . 0 0 "[ . 1 . 2 .]" 1
409 1 100 THR HA 1 101 THR H 2.647 . 3.441 2.855 2.094 3.549 0.108 14 0 "[ . 1 . 2 .]" 1
410 1 101 THR H 1 101 THR HB 2.575 . 3.347 2.888 2.599 3.611 0.264 4 0 "[ . 1 . 2 .]" 1
411 1 101 THR H 1 102 ASN H 3.075 2.152 3.998 2.627 1.997 4.243 0.245 20 0 "[ . 1 . 2 .]" 1
412 1 101 THR HB 1 102 ASN H 2.760 . 3.588 3.044 1.914 3.910 0.322 15 0 "[ . 1 . 2 .]" 1
413 1 101 THR MG 1 102 ASN H 3.807 2.665 4.949 3.739 2.617 4.306 0.048 23 0 "[ . 1 . 2 .]" 1
414 1 102 ASN H 1 102 ASN HD22 4.410 3.087 5.733 5.319 3.664 6.041 0.308 15 0 "[ . 1 . 2 .]" 1
415 1 102 ASN H 1 102 ASN HD21 3.949 2.764 5.134 4.369 2.693 5.234 0.100 7 0 "[ . 1 . 2 .]" 1
416 1 102 ASN H 1 102 ASN HA 3.484 2.439 4.529 2.724 2.300 2.947 0.139 21 0 "[ . 1 . 2 .]" 1
417 1 103 PRO HA 1 104 GLN H 2.798 . 3.637 3.006 2.092 3.569 . 0 0 "[ . 1 . 2 .]" 1
418 1 104 GLN H 1 104 GLN HA 2.843 . 3.696 2.627 2.246 2.944 . 0 0 "[ . 1 . 2 .]" 1
419 1 104 GLN H 1 105 TYR H 2.953 2.067 3.839 3.279 2.444 3.932 0.093 9 0 "[ . 1 . 2 .]" 1
420 1 103 PRO HA 1 105 TYR H 3.424 2.397 4.451 4.213 3.146 4.527 0.076 18 0 "[ . 1 . 2 .]" 1
421 1 105 TYR H 1 105 TYR QE 4.075 2.852 5.298 4.782 4.129 5.266 . 0 0 "[ . 1 . 2 .]" 1
422 1 105 TYR H 1 105 TYR HA 2.979 2.085 3.873 2.569 2.255 2.950 . 0 0 "[ . 1 . 2 .]" 1
423 1 104 GLN H 1 106 ASN H 4.126 2.888 5.364 4.804 3.277 5.473 0.109 17 0 "[ . 1 . 2 .]" 1
424 1 105 TYR H 1 106 ASN H 2.798 . 3.637 2.959 1.986 3.739 0.102 19 0 "[ . 1 . 2 .]" 1
425 1 105 TYR QD 1 106 ASN H 3.566 2.496 4.636 4.365 3.831 4.738 0.102 2 0 "[ . 1 . 2 .]" 1
426 1 106 ASN H 1 106 ASN HB3 2.771 . 3.602 3.101 2.461 3.793 0.191 24 0 "[ . 1 . 2 .]" 1
427 1 106 ASN H 1 106 ASN HA 2.643 . 3.436 2.845 2.268 2.951 . 0 0 "[ . 1 . 2 .]" 1
428 1 106 ASN H 1 107 SER HA 3.381 2.367 4.395 4.342 3.646 4.649 0.254 21 0 "[ . 1 . 2 .]" 1
429 1 106 ASN HA 1 107 SER H 3.351 2.346 4.356 2.955 2.181 3.566 0.165 18 0 "[ . 1 . 2 .]" 1
430 1 107 SER H 1 107 SER HA 3.377 2.364 4.390 2.731 2.274 2.940 0.090 8 0 "[ . 1 . 2 .]" 1
431 1 106 ASN HB3 1 107 SER H 3.448 2.414 4.482 3.468 1.953 4.539 0.461 15 0 "[ . 1 . 2 .]" 1
432 1 107 SER H 1 107 SER HB2 3.317 2.322 4.312 3.014 2.446 3.984 . 0 0 "[ . 1 . 2 .]" 1
433 1 107 SER H 1 108 VAL H 3.216 2.251 4.181 3.359 2.170 4.372 0.191 14 0 "[ . 1 . 2 .]" 1
434 1 107 SER HA 1 108 VAL H 2.825 . 3.673 2.831 2.087 3.583 . 0 0 "[ . 1 . 2 .]" 1
435 1 108 VAL H 1 108 VAL HB 2.983 2.088 3.878 2.909 2.515 3.710 . 0 0 "[ . 1 . 2 .]" 1
436 1 108 VAL H 1 108 VAL HA 2.893 2.025 3.761 2.729 2.260 2.952 . 0 0 "[ . 1 . 2 .]" 1
437 1 108 VAL HB 1 109 SER H 3.116 2.181 4.051 3.774 2.382 4.278 0.227 2 0 "[ . 1 . 2 .]" 1
438 1 108 VAL HA 1 109 SER H 2.614 . 3.398 2.587 2.077 3.523 0.125 9 0 "[ . 1 . 2 .]" 1
439 1 109 SER H 1 109 SER HA 2.981 2.087 3.875 2.781 2.255 2.942 . 0 0 "[ . 1 . 2 .]" 1
440 1 109 SER H 1 110 ARG H 3.598 2.519 4.677 3.484 2.465 4.637 0.054 15 0 "[ . 1 . 2 .]" 1
441 1 109 SER HA 1 110 ARG H 2.896 2.027 3.765 2.700 2.140 3.583 . 0 0 "[ . 1 . 2 .]" 1
442 1 110 ARG H 1 110 ARG HB2 3.594 2.516 4.672 2.857 2.300 3.748 0.216 22 0 "[ . 1 . 2 .]" 1
443 1 110 ARG H 1 110 ARG HB3 3.299 2.309 4.289 3.061 2.394 3.675 . 0 0 "[ . 1 . 2 .]" 1
444 1 110 ARG H 1 111 GLN H 3.731 2.612 4.850 4.485 4.277 4.643 . 0 0 "[ . 1 . 2 .]" 1
445 1 110 ARG HA 1 111 GLN H 3.339 2.337 4.341 2.225 2.164 2.312 0.173 7 0 "[ . 1 . 2 .]" 1
446 1 110 ARG HB2 1 111 GLN H 3.525 2.468 4.582 3.928 2.706 4.505 . 0 0 "[ . 1 . 2 .]" 1
447 1 110 ARG HB3 1 111 GLN H 3.756 2.629 4.883 3.754 2.646 4.442 . 0 0 "[ . 1 . 2 .]" 1
448 1 111 GLN H 1 111 GLN HG2 3.610 2.527 4.693 3.345 2.331 4.388 0.196 10 0 "[ . 1 . 2 .]" 1
449 1 14 THR HB 1 112 VAL H 3.765 2.635 5.195 5.032 3.656 5.356 0.161 3 0 "[ . 1 . 2 .]" 1
450 1 111 GLN HA 1 112 VAL H 3.685 . 4.791 2.337 2.066 2.751 . 0 0 "[ . 1 . 2 .]" 1
451 1 112 VAL H 1 112 VAL HB 4.027 2.819 5.235 3.454 2.645 3.770 0.174 17 0 "[ . 1 . 2 .]" 1
452 1 12 GLN HA 1 113 GLU H 3.785 2.649 4.921 4.688 2.745 5.114 0.193 11 0 "[ . 1 . 2 .]" 1
453 1 55 LEU HG 1 113 GLU H 4.272 2.990 5.554 5.405 4.272 5.861 0.307 17 0 "[ . 1 . 2 .]" 1
454 1 112 VAL H 1 113 GLU H 5.085 3.560 6.610 4.531 4.261 4.672 . 0 0 "[ . 1 . 2 .]" 1
455 1 113 GLU HA 1 114 ALA H 3.170 2.219 4.121 2.268 2.149 2.768 0.070 17 0 "[ . 1 . 2 .]" 1
456 1 113 GLU H 1 113 GLU HG3 3.685 2.580 4.790 4.387 3.656 4.992 0.202 10 0 "[ . 1 . 2 .]" 1
457 1 114 ALA HA 1 115 GLY H 3.407 2.385 4.429 2.369 2.233 2.535 0.152 5 0 "[ . 1 . 2 .]" 1
458 1 114 ALA MB 1 115 GLY H 2.986 2.090 4.182 2.640 2.188 3.453 . 0 0 "[ . 1 . 2 .]" 1
459 1 9 VAL H 1 116 ASP H 4.477 3.134 6.320 4.122 3.324 5.126 . 0 0 "[ . 1 . 2 .]" 1
460 1 9 VAL H 1 116 ASP HA 4.301 3.011 5.591 5.108 3.730 5.600 0.009 23 0 "[ . 1 . 2 .]" 1
461 1 51 ASN HA 1 116 ASP H 3.761 . 4.889 4.893 4.501 5.087 0.198 13 0 "[ . 1 . 2 .]" 1
462 1 115 GLY H 1 116 ASP H 3.534 . 4.594 2.066 1.814 2.404 . 0 0 "[ . 1 . 2 .]" 1
463 1 116 ASP H 1 116 ASP HA 3.773 2.641 4.905 2.865 2.726 2.936 . 0 0 "[ . 1 . 2 .]" 1
464 1 50 THR HB 1 117 ALA H 4.346 2.042 5.650 4.140 2.074 5.529 . 0 0 "[ . 1 . 2 .]" 1
465 1 51 ASN HA 1 117 ALA H 4.470 3.129 5.811 3.906 2.965 4.781 0.164 3 0 "[ . 1 . 2 .]" 1
466 1 116 ASP H 1 117 ALA H 4.028 2.819 5.237 4.417 2.656 4.642 0.163 17 0 "[ . 1 . 2 .]" 1
467 1 117 ALA H 1 117 ALA HA 3.593 2.515 4.671 2.931 2.706 2.954 . 0 0 "[ . 1 . 2 .]" 1
468 1 117 ALA H 1 117 ALA MB 2.934 2.054 3.814 2.413 2.190 2.630 . 0 0 "[ . 1 . 2 .]" 1
469 1 6 THR MG 1 118 VAL H 3.310 2.317 4.303 3.769 3.007 4.442 0.139 17 0 "[ . 1 . 2 .]" 1
470 1 8 THR HA 1 118 VAL H 3.784 2.649 4.919 2.963 2.594 4.518 0.055 23 0 "[ . 1 . 2 .]" 1
471 1 117 ALA H 1 118 VAL H 4.440 3.108 5.772 4.473 4.336 4.594 . 0 0 "[ . 1 . 2 .]" 1
472 1 117 ALA HA 1 118 VAL H 3.163 2.214 4.112 2.264 2.159 2.673 0.055 9 0 "[ . 1 . 2 .]" 1
473 1 118 VAL H 1 118 VAL MG1 3.836 2.685 4.987 3.765 3.046 3.853 . 0 0 "[ . 1 . 2 .]" 1
474 1 118 VAL H 1 119 SER H 3.984 2.789 5.179 4.454 4.281 4.548 . 0 0 "[ . 1 . 2 .]" 1
475 1 47 VAL HB 1 119 SER H 3.484 2.439 4.529 3.727 3.458 4.626 0.097 17 0 "[ . 1 . 2 .]" 1
476 1 48 LYS H 1 119 SER H 3.535 2.475 4.595 3.115 2.786 3.603 . 0 0 "[ . 1 . 2 .]" 1
477 1 118 VAL HA 1 119 SER H 2.843 . 3.696 2.276 2.131 3.107 . 0 0 "[ . 1 . 2 .]" 1
478 1 118 VAL HB 1 119 SER H 3.410 2.387 4.433 3.985 2.269 4.162 0.118 17 0 "[ . 1 . 2 .]" 1
479 1 118 VAL MG2 1 119 SER H 3.300 2.310 4.290 3.700 1.987 3.998 0.323 17 0 "[ . 1 . 2 .]" 1
480 1 118 VAL MG1 1 119 SER H 3.087 2.161 4.013 2.378 2.141 3.817 0.020 8 0 "[ . 1 . 2 .]" 1
481 1 119 SER H 1 119 SER HA 3.143 2.200 4.086 2.905 2.868 2.945 . 0 0 "[ . 1 . 2 .]" 1
482 1 119 SER H 1 119 SER QB 3.434 2.499 4.464 2.795 2.516 3.311 . 0 0 "[ . 1 . 2 .]" 1
483 1 119 SER H 1 120 VAL H 4.356 3.049 5.663 4.371 4.183 4.547 . 0 0 "[ . 1 . 2 .]" 1
484 1 119 SER QB 1 120 VAL H 3.215 2.299 4.179 2.629 2.132 3.490 0.167 6 0 "[ . 1 . 2 .]" 1
485 1 119 SER HA 1 120 VAL H 2.956 2.069 3.843 2.528 2.181 2.709 . 0 0 "[ . 1 . 2 .]" 1
486 1 120 VAL H 1 120 VAL HA 3.606 2.524 4.688 2.944 2.875 2.959 . 0 0 "[ . 1 . 2 .]" 1
487 1 120 VAL H 1 120 VAL HB 3.132 2.192 4.072 2.652 2.543 2.830 . 0 0 "[ . 1 . 2 .]" 1
488 1 47 VAL HA 1 121 VAL H 3.767 . 4.897 2.231 1.829 4.313 . 0 0 "[ . 1 . 2 .]" 1
489 1 120 VAL H 1 121 VAL H 4.457 3.120 5.794 4.405 2.970 4.602 0.150 17 0 "[ . 1 . 2 .]" 1
490 1 121 VAL H 1 122 GLY H 3.333 2.333 4.333 2.483 2.202 2.925 0.131 1 0 "[ . 1 . 2 .]" 1
491 1 121 VAL HA 1 122 GLY H 2.862 2.004 3.720 3.413 2.557 3.590 . 0 0 "[ . 1 . 2 .]" 1
492 1 121 VAL MG2 1 122 GLY H 2.822 . 4.169 3.919 3.270 4.279 0.110 12 0 "[ . 1 . 2 .]" 1
493 1 121 VAL MG1 1 122 GLY H 3.148 2.204 4.092 3.145 2.275 4.235 0.143 2 0 "[ . 1 . 2 .]" 1
494 1 121 VAL HB 1 122 GLY H 3.287 2.301 4.273 3.199 2.241 4.383 0.110 2 0 "[ . 1 . 2 .]" 1
495 1 123 THR H 1 123 THR MG 2.694 . 3.502 3.001 2.643 3.496 . 0 0 "[ . 1 . 2 .]" 1
496 1 123 THR H 1 124 ALA H 2.786 . 3.622 2.741 2.073 3.931 0.309 13 0 "[ . 1 . 2 .]" 1
497 1 123 THR HB 1 124 ALA H 2.371 . 3.082 2.893 2.200 3.290 0.208 6 0 "[ . 1 . 2 .]" 1
498 1 123 THR HA 1 124 ALA H 2.591 . 3.368 3.329 2.009 3.529 0.161 12 0 "[ . 1 . 2 .]" 1
499 1 124 ALA H 1 124 ALA MB 2.338 . 3.040 2.685 2.353 2.905 . 0 0 "[ . 1 . 2 .]" 1
500 1 3 PHE HA 1 3 PHE HB3 3.712 2.598 4.826 2.825 2.326 3.029 0.272 17 0 "[ . 1 . 2 .]" 1
501 1 6 THR HA 1 6 THR HB 3.764 2.635 4.893 3.019 3.000 3.033 . 0 0 "[ . 1 . 2 .]" 1
502 1 6 THR HB 1 6 THR MG 2.751 . 3.576 2.136 2.107 2.140 . 0 0 "[ . 1 . 2 .]" 1
503 1 6 THR HA 1 6 THR MG 3.395 2.376 4.414 2.343 2.297 2.390 0.079 21 0 "[ . 1 . 2 .]" 1
504 1 6 THR HA 1 7 LEU HA 1.800 . 5.000 4.416 4.375 4.440 . 0 0 "[ . 1 . 2 .]" 1
505 1 6 THR HA 1 7 LEU HG 1.800 . 5.000 4.180 3.562 4.703 . 0 0 "[ . 1 . 2 .]" 1
506 1 6 THR HB 1 7 LEU HG 1.800 . 5.000 5.099 5.016 5.234 0.234 22 0 "[ . 1 . 2 .]" 1
507 1 6 THR MG 1 7 LEU HA 4.800 3.360 5.000 3.631 3.355 4.055 0.005 17 0 "[ . 1 . 2 .]" 1
508 1 7 LEU HA 1 7 LEU HG 4.072 . 5.000 2.622 2.435 3.079 . 0 0 "[ . 1 . 2 .]" 1
509 1 7 LEU MD2 1 33 ALA HA 1.800 . 6.500 5.327 3.478 6.075 . 0 0 "[ . 1 . 2 .]" 1
510 1 7 LEU HG 1 118 VAL HB 3.821 2.675 4.967 4.646 4.365 5.250 0.283 17 0 "[ . 1 . 2 .]" 1
511 1 8 THR HB 1 8 THR MG 3.049 2.134 3.964 2.138 2.127 2.147 0.007 12 0 "[ . 1 . 2 .]" 1
512 1 8 THR HA 1 8 THR HB 3.965 2.775 5.000 2.993 2.545 3.021 0.230 12 0 "[ . 1 . 2 .]" 1
513 1 8 THR HA 1 8 THR MG 3.582 2.507 4.657 2.476 2.400 3.215 0.107 22 0 "[ . 1 . 2 .]" 1
514 1 8 THR HB 1 32 GLY HA2 3.753 2.627 4.879 4.682 4.144 4.971 0.092 12 0 "[ . 1 . 2 .]" 1
515 1 9 VAL HA 1 9 VAL HB 3.718 2.603 4.833 3.025 2.936 3.034 . 0 0 "[ . 1 . 2 .]" 1
516 1 14 THR HA 1 14 THR HB 3.500 2.450 4.550 2.494 2.392 3.034 0.058 15 0 "[ . 1 . 2 .]" 1
517 1 14 THR HA 1 14 THR MG 3.471 2.687 4.512 3.148 2.523 3.233 0.164 16 0 "[ . 1 . 2 .]" 1
518 1 14 THR HB 1 14 THR MG 2.756 2.288 3.583 2.144 2.140 2.152 0.148 6 0 "[ . 1 . 2 .]" 1
519 1 16 THR HA 1 16 THR HB 3.426 2.398 4.454 3.020 3.011 3.032 . 0 0 "[ . 1 . 2 .]" 1
520 1 16 THR HB 1 16 THR MG 2.712 . 3.526 2.137 2.132 2.144 . 0 0 "[ . 1 . 2 .]" 1
521 1 16 THR HA 1 16 THR MG 3.225 2.257 4.193 2.385 2.328 2.463 . 0 0 "[ . 1 . 2 .]" 1
522 1 16 THR MG 1 17 TYR HA 1.800 . 5.000 3.772 3.539 4.249 . 0 0 "[ . 1 . 2 .]" 1
523 1 16 THR MG 1 24 TYR HA 1.800 . 5.000 4.394 3.533 5.079 0.079 9 0 "[ . 1 . 2 .]" 1
524 1 17 TYR HA 1 17 TYR HB3 4.511 2.958 5.000 2.783 2.582 3.052 0.376 16 0 "[ . 1 . 2 .]" 1
525 1 17 TYR HA 1 24 TYR QD . 2.432 4.516 2.516 2.190 3.497 0.242 4 0 "[ . 1 . 2 .]" 1
526 1 18 ASN HA 1 18 ASN HB3 3.733 2.613 4.853 2.989 2.934 3.027 . 0 0 "[ . 1 . 2 .]" 1
527 1 18 ASN HA 1 19 ALA MB 4.646 3.252 5.000 3.919 3.792 4.165 . 0 0 "[ . 1 . 2 .]" 1
528 1 19 ALA HA 1 19 ALA MB 3.009 2.106 3.912 2.118 2.112 2.124 . 0 0 "[ . 1 . 2 .]" 1
529 1 19 ALA MB 1 20 VAL HB 1.800 . 5.000 4.691 4.499 4.912 . 0 0 "[ . 1 . 2 .]" 1
530 1 19 ALA MB 1 20 VAL HA 1.800 . 5.000 3.863 3.772 3.998 . 0 0 "[ . 1 . 2 .]" 1
531 1 20 VAL HA 1 20 VAL HB 3.915 2.740 5.000 3.033 3.029 3.037 . 0 0 "[ . 1 . 2 .]" 1
532 1 19 ALA MB 1 22 ASP HA 4.996 3.497 5.000 4.369 3.940 4.675 . 0 0 "[ . 1 . 2 .]" 1
533 1 22 ASP HA 1 22 ASP HB3 4.030 2.821 5.000 2.758 2.513 3.032 0.308 14 0 "[ . 1 . 2 .]" 1
534 1 17 TYR HA 1 24 TYR HA 4.270 2.070 5.000 2.561 2.141 3.016 . 0 0 "[ . 1 . 2 .]" 1
535 1 17 TYR QD 1 24 TYR HA . 3.151 4.349 3.891 3.196 4.340 . 0 0 "[ . 1 . 2 .]" 1
536 1 17 TYR QE 1 24 TYR HA . 2.658 4.936 4.782 4.104 5.059 0.123 20 0 "[ . 1 . 2 .]" 1
537 1 24 TYR HA 1 24 TYR QD . 2.531 4.699 2.558 2.265 3.048 0.266 18 0 "[ . 1 . 2 .]" 1
538 1 25 GLN HA 1 91 THR MG 4.895 3.426 5.300 4.601 3.354 5.156 0.072 20 0 "[ . 1 . 2 .]" 1
539 1 15 VAL HA 1 26 PHE HA 1.800 . 5.000 3.579 2.087 3.982 . 0 0 "[ . 1 . 2 .]" 1
540 1 26 PHE HA 1 26 PHE QD 1.800 . 5.000 3.686 3.618 3.751 . 0 0 "[ . 1 . 2 .]" 1
541 1 27 THR HA 1 27 THR HB 4.006 2.804 5.000 3.040 3.030 3.049 . 0 0 "[ . 1 . 2 .]" 1
542 1 27 THR HA 1 91 THR H 4.488 3.142 5.000 4.597 4.446 4.743 . 0 0 "[ . 1 . 2 .]" 1
543 1 27 THR HB 1 91 THR HA 4.522 3.165 5.000 4.823 4.663 5.007 0.007 9 0 "[ . 1 . 2 .]" 1
544 1 27 THR HA 1 91 THR HB 1.800 . 5.000 4.081 4.014 4.266 . 0 0 "[ . 1 . 2 .]" 1
545 1 27 THR HA 1 91 THR MG 1.800 . 5.000 2.412 2.255 2.659 . 0 0 "[ . 1 . 2 .]" 1
546 1 27 THR HA 1 91 THR HA 4.006 . 5.000 1.912 1.817 2.031 . 0 0 "[ . 1 . 2 .]" 1
547 1 27 THR HA 1 92 LEU HG 4.783 3.348 5.500 5.783 5.617 5.899 0.399 2 0 "[ . 1 . 2 .]" 1
548 1 13 PRO HA 1 28 VAL HA 3.418 2.393 4.443 3.543 2.896 4.495 0.052 11 0 "[ . 1 . 2 .]" 1
549 1 13 PRO HA 1 28 VAL HB 4.419 3.093 5.000 4.060 2.950 4.998 0.143 17 0 "[ . 1 . 2 .]" 1
550 1 28 VAL HA 1 28 VAL HB 4.569 2.198 5.000 2.805 2.487 3.015 . 0 0 "[ . 1 . 2 .]" 1
551 1 28 VAL HB 1 90 VAL H 4.836 3.385 5.000 4.536 3.828 5.262 0.262 14 0 "[ . 1 . 2 .]" 1
552 1 11 THR MG 1 29 THR HA 1.800 . 5.000 4.544 4.327 5.041 0.041 11 0 "[ . 1 . 2 .]" 1
553 1 30 LEU HA 1 30 LEU QD 4.455 3.328 5.000 3.036 2.853 3.147 0.475 15 0 "[ . 1 . 2 .]" 1
554 1 31 THR HA 1 31 THR HB 4.402 2.381 5.000 2.761 2.674 2.811 . 0 0 "[ . 1 . 2 .]" 1
555 1 34 THR HA 1 34 THR HB 3.033 2.123 3.943 3.010 2.982 3.034 . 0 0 "[ . 1 . 2 .]" 1
556 1 34 THR HB 1 34 THR MG 3.544 2.481 4.607 2.168 2.164 2.170 0.317 6 0 "[ . 1 . 2 .]" 1
557 1 34 THR HA 1 34 THR MG 3.361 2.353 4.369 2.286 2.244 2.424 0.109 12 0 "[ . 1 . 2 .]" 1
558 1 35 ALA MB 1 36 SER HB3 1.800 . 5.000 4.431 3.636 4.976 . 0 0 "[ . 1 . 2 .]" 1
559 1 35 ALA MB 1 36 SER HA 1.800 . 5.000 3.905 3.744 4.464 . 0 0 "[ . 1 . 2 .]" 1
560 1 36 SER HA 1 36 SER HB3 3.770 2.639 4.901 2.794 2.480 3.030 0.159 17 0 "[ . 1 . 2 .]" 1
561 1 38 THR HA 1 38 THR HB 3.711 2.598 4.824 3.022 3.012 3.029 . 0 0 "[ . 1 . 2 .]" 1
562 1 38 THR HB 1 38 THR MG 3.059 2.141 3.977 2.137 2.136 2.141 0.005 9 0 "[ . 1 . 2 .]" 1
563 1 38 THR MG 1 39 GLY HA3 1.800 . 5.000 3.698 3.510 3.882 . 0 0 "[ . 1 . 2 .]" 1
564 1 38 THR MG 1 39 GLY HA2 1.800 . 5.000 4.451 4.225 4.619 . 0 0 "[ . 1 . 2 .]" 1
565 1 40 PHE HB3 1 41 LEU HG 4.992 . 5.000 2.860 1.993 4.880 . 0 0 "[ . 1 . 2 .]" 1
566 1 47 VAL HA 1 47 VAL HB 4.138 2.897 5.000 2.640 2.483 2.685 0.414 17 0 "[ . 1 . 2 .]" 1
567 1 47 VAL H 1 47 VAL HB 4.955 3.469 5.000 3.717 3.641 3.960 . 0 0 "[ . 1 . 2 .]" 1
568 1 47 VAL HA 1 47 VAL QG 4.288 2.728 5.000 2.220 2.170 2.394 0.558 7 16 "[* **.*+* *** ** **2* -*]" 1
569 1 47 VAL HB 1 48 LYS QD 1.800 . 5.300 4.877 4.373 5.450 0.150 7 0 "[ . 1 . 2 .]" 1
570 1 47 VAL HB 1 48 LYS HA 4.422 3.095 5.000 4.018 3.847 4.417 . 0 0 "[ . 1 . 2 .]" 1
571 1 47 VAL H 1 48 LYS HA 4.488 3.141 5.000 4.773 4.584 4.931 . 0 0 "[ . 1 . 2 .]" 1
572 1 47 VAL HB 1 118 VAL MG1 4.075 2.852 5.000 3.075 2.585 5.788 0.788 17 1 "[ . 1 . + 2 .]" 1
573 1 47 VAL HB 1 119 SER HA 1.800 . 5.300 5.289 2.663 5.473 0.173 12 0 "[ . 1 . 2 .]" 1
574 1 47 VAL HB 1 120 VAL HA 4.726 3.308 5.000 3.604 3.303 5.925 0.925 17 1 "[ . 1 . + 2 .]" 1
575 1 47 VAL HA 1 120 VAL HA 4.440 . 5.000 2.109 1.891 3.612 0.017 18 0 "[ . 1 . 2 .]" 1
576 1 47 VAL HA 1 120 VAL HB 1.800 . 5.000 4.843 2.810 5.094 0.094 15 0 "[ . 1 . 2 .]" 1
577 1 49 PHE HA 1 50 THR HA 4.339 3.037 5.000 4.375 4.278 4.519 . 0 0 "[ . 1 . 2 .]" 1
578 1 50 THR HA 1 71 SER HB3 4.759 3.331 5.000 3.986 3.312 5.094 0.094 7 0 "[ . 1 . 2 .]" 1
579 1 50 THR HA 1 71 SER HB2 4.804 3.363 5.000 4.215 3.266 5.183 0.183 4 0 "[ . 1 . 2 .]" 1
580 1 50 THR HA 1 71 SER HA 4.838 . 5.000 2.974 1.933 5.040 0.040 15 0 "[ . 1 . 2 .]" 1
581 1 50 THR HA 1 50 THR MG 4.056 2.839 5.000 2.724 2.440 3.250 0.399 11 0 "[ . 1 . 2 .]" 1
582 1 50 THR HB 1 50 THR MG 3.433 2.403 4.463 2.156 2.142 2.166 0.261 10 0 "[ . 1 . 2 .]" 1
583 1 50 THR MG 1 71 SER HB2 4.377 3.064 5.300 4.394 3.136 5.465 0.165 10 0 "[ . 1 . 2 .]" 1
584 1 50 THR MG 1 71 SER HB3 4.407 3.085 5.000 4.126 2.981 5.158 0.158 1 0 "[ . 1 . 2 .]" 1
585 1 50 THR HB 1 117 ALA MB 3.542 2.479 4.605 3.460 2.359 4.753 0.148 5 0 "[ . 1 . 2 .]" 1
586 1 57 GLN HA 1 57 GLN HB2 3.189 2.232 4.146 3.014 2.993 3.025 . 0 0 "[ . 1 . 2 .]" 1
587 1 57 GLN HA 1 57 GLN HB3 3.315 2.321 4.309 2.396 2.324 2.537 . 0 0 "[ . 1 . 2 .]" 1
588 1 61 GLN HA 1 61 GLN HB3 3.483 2.438 4.528 2.459 2.369 2.602 0.069 9 0 "[ . 1 . 2 .]" 1
589 1 60 LYS HB2 1 61 GLN HA 4.717 3.302 5.000 4.540 4.067 5.012 0.012 1 0 "[ . 1 . 2 .]" 1
590 1 66 GLY HA2 1 67 ALA MB 1.800 . 5.000 4.350 3.774 4.866 . 0 0 "[ . 1 . 2 .]" 1
591 1 66 GLY HA3 1 67 ALA MB 1.800 . 5.000 4.177 3.806 4.806 . 0 0 "[ . 1 . 2 .]" 1
592 1 68 THR HA 1 68 THR MG 3.868 2.708 5.000 2.918 2.399 3.233 0.309 15 0 "[ . 1 . 2 .]" 1
593 1 50 THR MG 1 71 SER HA 1.800 . 5.000 4.141 3.157 5.218 0.218 22 0 "[ . 1 . 2 .]" 1
594 1 71 SER HA 1 71 SER HB2 4.610 2.527 5.000 2.756 2.454 3.039 0.073 7 0 "[ . 1 . 2 .]" 1
595 1 47 VAL HB 1 73 THR HA 4.918 . 5.500 5.218 4.868 5.469 . 0 0 "[ . 1 . 2 .]" 1
596 1 48 LYS HA 1 73 THR HB 1.800 . 5.000 5.033 4.848 5.138 0.138 12 0 "[ . 1 . 2 .]" 1
597 1 48 LYS HA 1 73 THR MG 4.144 2.901 5.000 3.761 3.347 4.277 . 0 0 "[ . 1 . 2 .]" 1
598 1 73 THR HA 1 73 THR HB 4.163 2.914 5.000 3.026 3.016 3.034 . 0 0 "[ . 1 . 2 .]" 1
599 1 73 THR HB 1 73 THR MG 3.181 2.227 4.135 2.141 2.134 2.144 0.093 12 0 "[ . 1 . 2 .]" 1
600 1 73 THR HA 1 73 THR MG 3.800 2.660 4.940 2.498 2.460 2.550 0.200 11 0 "[ . 1 . 2 .]" 1
601 1 73 THR MG 1 74 ALA HA 4.155 2.909 5.000 3.572 3.057 3.899 . 0 0 "[ . 1 . 2 .]" 1
602 1 47 VAL H 1 75 THR HA 5.000 . 5.000 3.034 2.717 3.626 . 0 0 "[ . 1 . 2 .]" 1
603 1 75 THR HA 1 75 THR MG 3.912 2.738 5.000 2.536 2.481 2.630 0.257 8 0 "[ . 1 . 2 .]" 1
604 1 75 THR HB 1 75 THR MG 3.307 2.315 4.299 2.149 2.143 2.152 0.172 25 0 "[ . 1 . 2 .]" 1
605 1 45 ASP H 1 76 VAL HB 1.800 . 5.000 3.582 2.907 4.471 . 0 0 "[ . 1 . 2 .]" 1
606 1 75 THR MG 1 76 VAL HA 4.167 2.917 5.000 3.930 3.696 4.212 . 0 0 "[ . 1 . 2 .]" 1
607 1 75 THR HA 1 76 VAL H 4.520 . 5.000 2.087 2.045 2.136 . 0 0 "[ . 1 . 2 .]" 1
608 1 75 THR HB 1 76 VAL H 1.800 . 5.000 4.185 4.045 4.412 . 0 0 "[ . 1 . 2 .]" 1
609 1 43 ALA MB 1 77 THR HB 1.800 . 6.500 4.462 3.462 5.352 . 0 0 "[ . 1 . 2 .]" 1
610 1 43 ALA H 1 78 ALA HA 1.800 . 5.000 3.391 2.756 4.199 . 0 0 "[ . 1 . 2 .]" 1
611 1 78 ALA MB 1 90 VAL HA 4.115 2.880 5.000 3.748 3.019 4.470 . 0 0 "[ . 1 . 2 .]" 1
612 1 78 ALA MB 1 90 VAL HB 3.925 2.748 5.000 3.921 2.947 5.017 0.017 4 0 "[ . 1 . 2 .]" 1
613 1 40 PHE H 1 80 ALA MB 4.750 3.325 5.000 3.192 2.997 3.321 0.328 15 0 "[ . 1 . 2 .]" 1
614 1 79 ASP HA 1 80 ALA MB 4.715 3.301 5.000 3.924 3.687 4.119 . 0 0 "[ . 1 . 2 .]" 1
615 1 79 ASP HA 1 80 ALA HA 1.800 . 5.000 4.397 4.344 4.470 . 0 0 "[ . 1 . 2 .]" 1
616 1 80 ALA HA 1 80 ALA MB 3.095 2.167 4.023 2.132 2.125 2.138 0.042 18 0 "[ . 1 . 2 .]" 1
617 1 38 THR MG 1 81 ASN HA 1.800 . 5.000 4.958 4.226 5.094 0.094 3 0 "[ . 1 . 2 .]" 1
618 1 80 ALA MB 1 81 ASN HA 1.800 . 5.000 4.296 3.997 4.657 . 0 0 "[ . 1 . 2 .]" 1
619 1 39 GLY HA2 1 82 SER HB2 4.774 3.342 6.000 5.825 5.091 6.317 0.317 17 0 "[ . 1 . 2 .]" 1
620 1 31 THR HA 1 87 ASP HA 4.394 2.076 5.000 2.184 2.051 2.704 0.025 2 0 "[ . 1 . 2 .]" 1
621 1 31 THR MG 1 87 ASP HB2 4.637 3.246 5.500 4.063 3.067 4.776 0.179 15 0 "[ . 1 . 2 .]" 1
622 1 31 THR MG 1 87 ASP HB3 4.420 3.094 5.000 4.342 3.720 5.030 0.030 13 0 "[ . 1 . 2 .]" 1
623 1 31 THR HB 1 87 ASP HA 1.800 . 5.000 4.441 4.152 4.890 . 0 0 "[ . 1 . 2 .]" 1
624 1 31 THR HA 1 87 ASP HB3 1.800 . 5.000 4.726 4.101 5.252 0.252 7 0 "[ . 1 . 2 .]" 1
625 1 31 THR HA 1 87 ASP HB2 1.800 . 5.000 4.709 3.928 5.155 0.155 20 0 "[ . 1 . 2 .]" 1
626 1 87 ASP HA 1 88 VAL HB 1.800 . 5.000 4.823 4.536 5.055 0.055 14 0 "[ . 1 . 2 .]" 1
627 1 82 SER HA 1 88 VAL QG 4.611 3.228 5.000 3.777 3.476 3.965 . 0 0 "[ . 1 . 2 .]" 1
628 1 82 SER HA 1 88 VAL HB 4.678 3.275 5.000 3.326 3.037 3.592 0.238 4 0 "[ . 1 . 2 .]" 1
629 1 30 LEU QD 1 89 THR HA 4.728 3.310 5.000 2.721 2.109 3.374 1.201 23 15 "[-** . * 1* **.****2 *+**]" 1
630 1 30 LEU HA 1 89 THR HA 4.520 3.164 5.000 5.052 4.989 5.132 0.132 11 0 "[ . 1 . 2 .]" 1
631 1 30 LEU H 1 89 THR HA 5.000 . 5.500 2.169 2.066 2.338 . 0 0 "[ . 1 . 2 .]" 1
632 1 30 LEU H 1 89 THR HB 1.800 . 5.000 4.832 4.673 5.048 0.048 15 0 "[ . 1 . 2 .]" 1
633 1 89 THR HB 1 89 THR MG 3.273 2.291 4.255 2.147 2.144 2.149 0.147 3 0 "[ . 1 . 2 .]" 1
634 1 89 THR HA 1 90 VAL H 4.734 . 5.000 2.181 2.137 2.234 . 0 0 "[ . 1 . 2 .]" 1
635 1 28 VAL HA 1 28 VAL HB 4.166 . 5.000 2.313 2.228 2.409 . 0 0 "[ . 1 . 2 .]" 1
636 1 77 THR H 1 90 VAL HB 1.800 . 5.000 4.402 3.400 5.230 0.230 6 0 "[ . 1 . 2 .]" 1
637 1 80 ALA HA 1 90 VAL QG 5.000 . 5.000 2.788 1.814 3.851 . 0 0 "[ . 1 . 2 .]" 1
638 1 90 VAL HA 1 90 VAL QG 3.644 2.787 4.737 2.337 2.298 2.446 0.489 13 0 "[ . 1 . 2 .]" 1
639 1 28 VAL H 1 91 THR HA 4.585 . 5.300 2.523 2.309 2.825 . 0 0 "[ . 1 . 2 .]" 1
640 1 28 VAL HB 1 91 THR HA 1.800 . 5.000 4.802 4.400 5.140 0.140 2 0 "[ . 1 . 2 .]" 1
641 1 91 THR HA 1 92 LEU HG 4.683 3.278 5.000 4.488 4.061 5.138 0.138 5 0 "[ . 1 . 2 .]" 1
642 1 26 PHE QD 1 92 LEU HA 1.800 . 5.300 5.429 5.126 5.574 0.274 11 0 "[ . 1 . 2 .]" 1
643 1 26 PHE QD 1 92 LEU HG 3.639 2.547 5.231 5.015 3.900 5.490 0.259 21 0 "[ . 1 . 2 .]" 1
644 1 26 PHE QE 1 92 LEU HG 4.034 2.824 5.000 4.129 2.660 4.762 0.164 22 0 "[ . 1 . 2 .]" 1
645 1 26 PHE HZ 1 92 LEU HG 4.784 3.349 5.000 4.866 3.551 5.164 0.164 7 0 "[ . 1 . 2 .]" 1
646 1 75 THR HA 1 92 LEU HG 1.800 . 5.000 5.216 5.129 5.309 0.309 21 0 "[ . 1 . 2 .]" 1
647 1 76 VAL H 1 92 LEU HA 1.800 . 5.500 4.948 4.743 5.165 . 0 0 "[ . 1 . 2 .]" 1
648 1 76 VAL HA 1 92 LEU HA 5.000 . 5.000 2.834 2.310 3.301 . 0 0 "[ . 1 . 2 .]" 1
649 1 76 VAL HA 1 92 LEU HG 3.783 2.648 4.918 2.956 2.543 4.503 0.105 20 0 "[ . 1 . 2 .]" 1
650 1 92 LEU HA 1 92 LEU HG 3.809 . 4.952 2.623 2.334 3.769 . 0 0 "[ . 1 . 2 .]" 1
651 1 25 GLN HA 1 93 SER HA 1.800 . 5.000 2.273 1.927 2.571 . 0 0 "[ . 1 . 2 .]" 1
652 1 75 THR MG 1 93 SER HA 1.800 . 6.500 6.012 5.317 6.533 0.033 17 0 "[ . 1 . 2 .]" 1
653 1 97 ILE HB 1 97 ILE MG 3.226 2.258 4.194 2.133 2.126 2.138 0.132 22 0 "[ . 1 . 2 .]" 1
654 1 100 THR HA 1 100 THR HB 3.516 2.461 4.571 2.564 2.435 2.769 0.026 10 0 "[ . 1 . 2 .]" 1
655 1 110 ARG HA 1 110 ARG HB3 3.922 2.745 5.000 2.645 2.369 3.029 0.376 14 0 "[ . 1 . 2 .]" 1
656 1 14 THR HB 1 112 VAL MG2 1.800 . 5.000 3.268 1.988 4.999 . 0 0 "[ . 1 . 2 .]" 1
657 1 14 THR HB 1 112 VAL MG1 1.800 . 5.000 3.782 2.080 5.146 0.146 17 0 "[ . 1 . 2 .]" 1
658 1 112 VAL HA 1 112 VAL HB 4.515 2.460 5.000 2.566 2.421 3.032 0.039 6 0 "[ . 1 . 2 .]" 1
659 1 11 THR HA 1 114 ALA MB 1.800 . 7.000 2.722 2.199 4.608 . 0 0 "[ . 1 . 2 .]" 1
660 1 51 ASN HA 1 116 ASP HA 1.800 . 5.000 3.922 2.099 5.144 0.144 17 0 "[ . 1 . 2 .]" 1
661 1 8 THR MG 1 117 ALA HA 4.120 2.884 5.500 3.849 3.246 5.550 0.050 17 0 "[ . 1 . 2 .]" 1
662 1 8 THR HA 1 117 ALA MB 4.515 3.160 5.000 4.091 3.141 4.944 0.019 23 0 "[ . 1 . 2 .]" 1
663 1 8 THR HA 1 117 ALA HA 4.064 . 5.000 2.801 2.275 4.433 . 0 0 "[ . 1 . 2 .]" 1
664 1 117 ALA HA 1 117 ALA MB 3.157 2.210 4.104 2.134 2.119 2.144 0.091 17 0 "[ . 1 . 2 .]" 1
665 1 6 THR HA 1 118 VAL HB 5.000 . 5.000 4.975 2.214 5.170 0.170 2 0 "[ . 1 . 2 .]" 1
666 1 8 THR HA 1 118 VAL HB 4.429 3.100 5.000 3.612 3.372 4.993 . 0 0 "[ . 1 . 2 .]" 1
667 1 8 THR HB 1 118 VAL HB 5.000 . 5.300 5.508 5.428 5.689 0.389 17 0 "[ . 1 . 2 .]" 1
668 1 49 PHE HA 1 118 VAL MG2 4.387 3.071 5.000 3.638 3.041 4.612 0.030 4 0 "[ . 1 . 2 .]" 1
669 1 49 PHE HA 1 118 VAL MG1 4.950 3.465 5.000 3.884 3.242 4.894 0.223 19 0 "[ . 1 . 2 .]" 1
670 1 50 THR MG 1 118 VAL HA 1.800 . 6.000 5.465 4.106 6.163 0.163 4 0 "[ . 1 . 2 .]" 1
671 1 118 VAL HB 1 118 VAL MG2 4.385 . 5.000 2.128 2.120 2.134 . 0 0 "[ . 1 . 2 .]" 1
672 1 118 VAL HA 1 118 VAL MG2 3.392 2.374 4.410 2.389 2.322 3.223 0.052 12 0 "[ . 1 . 2 .]" 1
673 1 118 VAL HA 1 118 VAL MG1 3.406 2.384 4.428 2.515 2.456 2.594 . 0 0 "[ . 1 . 2 .]" 1
674 1 6 THR MG 1 119 SER HA 1.800 . 5.000 4.174 3.511 5.227 0.227 17 0 "[ . 1 . 2 .]" 1
675 1 6 THR HA 1 119 SER QB 1.800 . 5.000 3.537 2.393 4.066 . 0 0 "[ . 1 . 2 .]" 1
676 1 7 LEU HG 1 119 SER HA 4.653 3.257 5.000 4.763 3.634 5.062 0.062 14 0 "[ . 1 . 2 .]" 1
677 1 118 VAL HB 1 119 SER HA 1.800 . 5.000 4.673 4.544 4.923 . 0 0 "[ . 1 . 2 .]" 1
678 1 119 SER HA 1 119 SER QB 3.540 2.577 4.602 2.354 2.189 2.444 0.388 9 0 "[ . 1 . 2 .]" 1
679 1 47 VAL H 1 120 VAL HA 1.800 . 5.000 4.968 4.792 5.194 0.194 17 0 "[ . 1 . 2 .]" 1
680 1 47 VAL QG 1 120 VAL HA 4.261 2.999 5.000 2.326 2.169 4.900 0.830 16 24 "[**********-****+ ********]" 1
681 1 120 VAL HA 1 120 VAL MG1 3.468 2.428 4.508 2.392 2.343 2.537 0.085 23 0 "[ . 1 . 2 .]" 1
682 1 120 VAL HA 1 120 VAL MG2 3.153 2.207 4.099 2.435 2.338 2.498 . 0 0 "[ . 1 . 2 .]" 1
683 1 121 VAL HA 1 121 VAL HB 3.636 2.545 4.727 2.863 2.444 3.031 0.101 2 0 "[ . 1 . 2 .]" 1
684 1 121 VAL HB 1 121 VAL MG2 3.193 2.235 4.151 2.135 2.131 2.141 0.104 12 0 "[ . 1 . 2 .]" 1
685 1 121 VAL HB 1 121 VAL MG1 3.162 2.213 4.111 2.137 2.126 2.142 0.087 1 0 "[ . 1 . 2 .]" 1
686 1 121 VAL HA 1 121 VAL MG1 3.225 2.257 4.193 2.660 2.259 3.219 . 0 0 "[ . 1 . 2 .]" 1
687 1 121 VAL HA 1 121 VAL MG2 3.434 2.404 4.464 2.376 2.293 3.221 0.111 23 0 "[ . 1 . 2 .]" 1
688 1 123 THR HA 1 123 THR HB 3.221 2.255 4.187 2.569 2.423 2.663 . 0 0 "[ . 1 . 2 .]" 1
689 1 124 ALA HA 1 124 ALA MB 2.628 . 3.416 2.130 2.124 2.135 . 0 0 "[ . 1 . 2 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 347
_Distance_constraint_stats_list.Viol_count 1979
_Distance_constraint_stats_list.Viol_total 5701.412
_Distance_constraint_stats_list.Viol_max 0.987
_Distance_constraint_stats_list.Viol_rms 0.0773
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0263
_Distance_constraint_stats_list.Viol_average_violations_only 0.1152
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 PHE 0.246 0.093 21 0 "[ . 1 . 2 .]"
1 4 GLY 0.246 0.093 21 0 "[ . 1 . 2 .]"
1 5 GLY 0.176 0.096 17 0 "[ . 1 . 2 .]"
1 6 THR 1.265 0.155 22 0 "[ . 1 . 2 .]"
1 7 LEU 19.251 0.578 16 4 "[ *- 1* .+ 2 .]"
1 8 THR 1.794 0.155 2 0 "[ . 1 . 2 .]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 10 LYS 3.013 0.213 1 0 "[ . 1 . 2 .]"
1 11 THR 1.808 0.213 1 0 "[ . 1 . 2 .]"
1 12 GLN 7.401 0.485 22 0 "[ . 1 . 2 .]"
1 13 PRO 3.831 0.296 17 0 "[ . 1 . 2 .]"
1 14 THR 15.629 0.987 24 15 "[* -* ** ** * *****2 +*]"
1 15 VAL 15.447 0.987 24 15 "[* -* ** ** * *****2 +*]"
1 16 THR 14.205 0.987 24 15 "[* -* ** ** * *****2 +*]"
1 17 TYR 9.368 0.489 1 0 "[ . 1 . 2 .]"
1 18 ASN 2.380 0.199 18 0 "[ . 1 . 2 .]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 20 VAL 5.442 0.142 19 0 "[ . 1 . 2 .]"
1 21 LYS 6.550 0.325 15 0 "[ . 1 . 2 .]"
1 22 ASP 4.180 0.325 15 0 "[ . 1 . 2 .]"
1 23 SER 0.130 0.027 15 0 "[ . 1 . 2 .]"
1 24 TYR 5.662 0.489 1 0 "[ . 1 . 2 .]"
1 25 GLN 1.372 0.182 17 0 "[ . 1 . 2 .]"
1 26 PHE 11.391 0.231 20 0 "[ . 1 . 2 .]"
1 27 THR 0.169 0.126 9 0 "[ . 1 . 2 .]"
1 28 VAL 15.052 0.987 24 15 "[* -* ** ** * *****2 +*]"
1 29 THR 0.661 0.088 5 0 "[ . 1 . 2 .]"
1 30 LEU 4.133 0.159 14 0 "[ . 1 . 2 .]"
1 31 THR 4.019 0.159 14 0 "[ . 1 . 2 .]"
1 32 GLY 0.911 0.098 16 0 "[ . 1 . 2 .]"
1 33 ALA 0.682 0.230 17 0 "[ . 1 . 2 .]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 37 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 39 GLY 4.059 0.168 13 0 "[ . 1 . 2 .]"
1 40 PHE 8.697 0.226 12 0 "[ . 1 . 2 .]"
1 41 LEU 0.002 0.002 6 0 "[ . 1 . 2 .]"
1 42 LYS 3.675 0.246 15 0 "[ . 1 . 2 .]"
1 43 ALA 0.150 0.105 25 0 "[ . 1 . 2 .]"
1 44 GLY 0.776 0.282 12 0 "[ . 1 . 2 .]"
1 45 ASP 0.055 0.050 25 0 "[ . 1 . 2 .]"
1 46 GLN 22.221 0.670 25 9 "[ * ** * 1 - *. * 2 *+]"
1 47 VAL 2.760 0.873 17 1 "[ . 1 . + 2 .]"
1 48 LYS 4.258 0.330 17 0 "[ . 1 . 2 .]"
1 49 PHE 3.844 0.330 17 0 "[ . 1 . 2 .]"
1 50 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 51 ASN 0.127 0.099 22 0 "[ . 1 . 2 .]"
1 52 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 53 TYR 0.560 0.175 9 0 "[ . 1 . 2 .]"
1 54 TRP 1.802 0.220 18 0 "[ . 1 . 2 .]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 56 GLN 0.234 0.059 8 0 "[ . 1 . 2 .]"
1 57 GLN 4.335 0.358 20 0 "[ . 1 . 2 .]"
1 58 GLN 4.406 0.358 20 0 "[ . 1 . 2 .]"
1 59 THR 0.218 0.097 5 0 "[ . 1 . 2 .]"
1 60 LYS 1.703 0.299 15 0 "[ . 1 . 2 .]"
1 61 GLN 1.329 0.299 15 0 "[ . 1 . 2 .]"
1 62 ALA 0.376 0.116 7 0 "[ . 1 . 2 .]"
1 63 LEU 0.975 0.141 11 0 "[ . 1 . 2 .]"
1 64 TYR 2.374 0.296 21 0 "[ . 1 . 2 .]"
1 65 ASN 3.424 0.296 21 0 "[ . 1 . 2 .]"
1 66 GLY 0.091 0.041 14 0 "[ . 1 . 2 .]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 68 THR 1.392 0.220 18 0 "[ . 1 . 2 .]"
1 71 SER 1.158 0.211 9 0 "[ . 1 . 2 .]"
1 72 PHE 2.531 0.231 3 0 "[ . 1 . 2 .]"
1 73 THR 1.031 0.211 9 0 "[ . 1 . 2 .]"
1 74 ALA 13.037 0.670 25 6 "[ * *. * 1 - . * 2 +]"
1 75 THR 9.383 0.602 24 5 "[ *- 1 * *. 2 +.]"
1 76 VAL 1.827 0.282 12 0 "[ . 1 . 2 .]"
1 77 THR 0.659 0.116 5 0 "[ . 1 . 2 .]"
1 78 ALA 4.674 0.246 15 0 "[ . 1 . 2 .]"
1 79 ASP 0.012 0.012 15 0 "[ . 1 . 2 .]"
1 80 ALA 5.135 0.259 23 0 "[ . 1 . 2 .]"
1 81 ASN 4.950 0.234 9 0 "[ . 1 . 2 .]"
1 82 SER 0.641 0.166 5 0 "[ . 1 . 2 .]"
1 83 ASP 0.039 0.039 17 0 "[ . 1 . 2 .]"
1 84 SER 5.069 0.287 22 0 "[ . 1 . 2 .]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 86 GLY 5.786 0.287 22 0 "[ . 1 . 2 .]"
1 87 ASP 0.364 0.060 19 0 "[ . 1 . 2 .]"
1 88 VAL 19.553 0.302 24 0 "[ . 1 . 2 .]"
1 89 THR 8.919 0.408 3 0 "[ . 1 . 2 .]"
1 90 VAL 1.443 0.171 20 0 "[ . 1 . 2 .]"
1 91 THR 14.429 0.310 8 0 "[ . 1 . 2 .]"
1 92 LEU 6.680 0.226 20 0 "[ . 1 . 2 .]"
1 93 SER 2.048 0.231 20 0 "[ . 1 . 2 .]"
1 94 GLY 1.329 0.182 17 0 "[ . 1 . 2 .]"
1 95 VAL 0.838 0.230 20 0 "[ . 1 . 2 .]"
1 97 ILE 3.454 0.435 13 0 "[ . 1 . 2 .]"
1 98 TYR 0.143 0.101 18 0 "[ . 1 . 2 .]"
1 99 ASP 0.528 0.148 22 0 "[ . 1 . 2 .]"
1 100 THR 0.385 0.148 22 0 "[ . 1 . 2 .]"
1 101 THR 1.527 0.253 3 0 "[ . 1 . 2 .]"
1 102 ASN 6.058 0.386 14 0 "[ . 1 . 2 .]"
1 103 PRO 8.176 0.476 19 0 "[ . 1 . 2 .]"
1 104 GLN 6.369 0.476 19 0 "[ . 1 . 2 .]"
1 105 TYR 8.445 0.296 18 0 "[ . 1 . 2 .]"
1 106 ASN 0.452 0.211 1 0 "[ . 1 . 2 .]"
1 107 SER 0.278 0.072 10 0 "[ . 1 . 2 .]"
1 108 VAL 1.116 0.211 1 0 "[ . 1 . 2 .]"
1 109 SER 0.513 0.152 3 0 "[ . 1 . 2 .]"
1 110 ARG 0.038 0.020 8 0 "[ . 1 . 2 .]"
1 111 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 112 VAL 3.350 0.296 17 0 "[ . 1 . 2 .]"
1 113 GLU 7.542 0.696 17 1 "[ . 1 . + 2 .]"
1 114 ALA 1.389 0.258 7 0 "[ . 1 . 2 .]"
1 115 GLY 1.001 0.132 17 0 "[ . 1 . 2 .]"
1 116 ASP 0.385 0.126 3 0 "[ . 1 . 2 .]"
1 117 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 118 VAL 5.964 0.578 16 1 "[ . 1 .+ 2 .]"
1 119 SER 1.737 0.238 17 0 "[ . 1 . 2 .]"
1 120 VAL 3.536 0.873 17 1 "[ . 1 . + 2 .]"
1 121 VAL 3.924 0.469 24 0 "[ . 1 . 2 .]"
1 122 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 123 THR 1.927 0.150 5 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 PHE QB 1 4 GLY H 3.646 2.552 4.740 3.017 2.459 4.025 0.093 21 0 "[ . 1 . 2 .]" 2
2 1 4 GLY H 1 4 GLY QA 2.865 2.005 3.725 2.304 2.206 2.395 . 0 0 "[ . 1 . 2 .]" 2
3 1 7 LEU H 1 7 LEU QB 3.573 2.501 4.645 2.662 2.555 2.774 . 0 0 "[ . 1 . 2 .]" 2
4 1 7 LEU H 1 7 LEU QD 3.389 2.372 4.406 3.135 2.356 3.792 0.016 4 0 "[ . 1 . 2 .]" 2
5 1 7 LEU QB 1 118 VAL H 2.944 2.061 3.827 3.829 3.589 4.161 0.334 17 0 "[ . 1 . 2 .]" 2
6 1 7 LEU H 1 119 SER QB 4.452 3.116 5.788 4.448 2.878 4.943 0.238 17 0 "[ . 1 . 2 .]" 2
7 1 8 THR H 1 32 GLY QA 4.084 2.859 5.309 3.335 2.775 3.586 0.084 17 0 "[ . 1 . 2 .]" 2
8 1 10 LYS H 1 10 LYS QE 5.169 3.618 6.720 5.185 3.870 6.175 . 0 0 "[ . 1 . 2 .]" 2
9 1 10 LYS H 1 10 LYS HB2 3.506 2.454 4.558 2.443 2.241 3.067 0.213 1 0 "[ . 1 . 2 .]" 2
10 1 12 GLN H 1 12 GLN QB 2.568 . 3.338 2.586 2.368 2.879 . 0 0 "[ . 1 . 2 .]" 2
11 1 13 PRO QD 1 14 THR H 3.628 2.540 4.716 4.755 4.508 4.811 0.095 25 0 "[ . 1 . 2 .]" 2
12 1 13 PRO QB 1 14 THR H 3.268 . 4.248 3.667 3.569 3.745 . 0 0 "[ . 1 . 2 .]" 2
13 1 13 PRO QG 1 14 THR H 4.075 2.853 5.297 4.851 4.695 5.029 . 0 0 "[ . 1 . 2 .]" 2
14 1 14 THR H 1 28 VAL QG 3.709 2.596 4.822 2.113 1.609 3.368 0.987 24 15 "[* -* ** ** * *****2 +*]" 2
15 1 17 TYR H 1 17 TYR QB 2.850 . 3.705 2.336 2.118 2.501 . 0 0 "[ . 1 . 2 .]" 2
16 1 17 TYR QB 1 18 ASN H 3.236 2.265 4.207 3.762 3.219 4.011 . 0 0 "[ . 1 . 2 .]" 2
17 1 18 ASN H 1 18 ASN QD 3.931 2.752 5.110 4.581 3.903 4.941 . 0 0 "[ . 1 . 2 .]" 2
18 1 18 ASN H 1 18 ASN QB 3.060 2.142 3.978 2.485 2.198 2.662 . 0 0 "[ . 1 . 2 .]" 2
19 1 18 ASN H 1 21 LYS QB 3.896 2.727 5.065 4.779 4.645 5.264 0.199 18 0 "[ . 1 . 2 .]" 2
20 1 18 ASN QB 1 19 ALA H 3.545 2.481 4.609 3.739 3.537 3.993 . 0 0 "[ . 1 . 2 .]" 2
21 1 20 VAL QG 1 21 LYS H 3.126 2.188 4.064 3.386 3.267 3.440 . 0 0 "[ . 1 . 2 .]" 2
22 1 21 LYS H 1 21 LYS QD 3.533 . 4.593 3.754 3.385 4.391 . 0 0 "[ . 1 . 2 .]" 2
23 1 21 LYS H 1 22 ASP QB 4.030 2.821 5.239 4.873 4.636 5.065 . 0 0 "[ . 1 . 2 .]" 2
24 1 21 LYS QB 1 22 ASP H 3.576 2.503 4.649 3.218 2.983 3.397 . 0 0 "[ . 1 . 2 .]" 2
25 1 21 LYS QG 1 22 ASP H 3.098 2.169 4.027 4.042 3.817 4.122 0.095 10 0 "[ . 1 . 2 .]" 2
26 1 21 LYS QD 1 22 ASP H 3.991 2.794 5.188 4.962 4.704 5.513 0.325 15 0 "[ . 1 . 2 .]" 2
27 1 21 LYS QE 1 22 ASP H 4.085 2.860 5.310 5.256 4.382 5.486 0.176 4 0 "[ . 1 . 2 .]" 2
28 1 24 TYR H 1 95 VAL QG 1.800 . 5.000 4.509 2.982 5.165 0.165 17 0 "[ . 1 . 2 .]" 2
29 1 24 TYR QB 1 95 VAL H 1.800 . 5.000 3.130 2.306 4.672 . 0 0 "[ . 1 . 2 .]" 2
30 1 15 VAL QG 1 25 GLN H 1.800 . 6.500 3.348 2.960 4.489 . 0 0 "[ . 1 . 2 .]" 2
31 1 25 GLN H 1 25 GLN QG 3.244 2.271 4.217 3.023 2.545 3.913 . 0 0 "[ . 1 . 2 .]" 2
32 1 25 GLN QG 1 26 PHE H 3.398 2.379 4.417 4.023 3.656 4.239 . 0 0 "[ . 1 . 2 .]" 2
33 1 26 PHE H 1 92 LEU MD1 3.801 2.661 5.441 4.631 4.143 5.639 0.198 22 0 "[ . 1 . 2 .]" 2
34 1 26 PHE H 1 93 SER QB 1.800 . 5.000 4.764 3.643 5.231 0.231 20 0 "[ . 1 . 2 .]" 2
35 1 26 PHE QB 1 27 THR H 3.324 2.327 4.321 2.956 2.585 3.200 . 0 0 "[ . 1 . 2 .]" 2
36 1 13 PRO QB 1 27 THR H 3.850 2.695 5.305 4.826 4.281 5.298 . 0 0 "[ . 1 . 2 .]" 2
37 1 28 VAL H 1 28 VAL MG1 3.281 2.297 4.265 2.572 2.405 3.071 . 0 0 "[ . 1 . 2 .]" 2
38 1 28 VAL QG 1 29 THR H 3.492 2.444 4.540 2.453 2.356 2.760 0.088 5 0 "[ . 1 . 2 .]" 2
39 1 30 LEU H 1 30 LEU QB 3.626 2.538 4.714 2.574 2.466 2.744 0.072 4 0 "[ . 1 . 2 .]" 2
40 1 30 LEU QB 1 31 THR H 3.495 2.447 4.543 2.349 2.288 2.445 0.159 14 0 "[ . 1 . 2 .]" 2
41 1 30 LEU H 1 30 LEU QD 3.330 2.331 4.329 2.372 2.223 2.883 0.108 23 0 "[ . 1 . 2 .]" 2
42 1 30 LEU QD 1 31 THR H 3.242 2.269 4.515 3.815 3.698 3.969 . 0 0 "[ . 1 . 2 .]" 2
43 1 32 GLY H 1 32 GLY QA 3.391 2.374 4.408 2.424 2.276 2.472 0.098 16 0 "[ . 1 . 2 .]" 2
44 1 32 GLY H 1 86 GLY QA 4.397 3.078 5.716 3.105 2.985 3.549 0.093 15 0 "[ . 1 . 2 .]" 2
45 1 7 LEU MD1 1 33 ALA H 1.800 . 6.500 5.535 3.250 6.215 . 0 0 "[ . 1 . 2 .]" 2
46 1 32 GLY QA 1 33 ALA H 3.464 . 4.503 2.151 2.123 2.183 . 0 0 "[ . 1 . 2 .]" 2
47 1 36 SER H 1 37 VAL QG 4.081 2.857 5.305 4.360 4.088 4.507 . 0 0 "[ . 1 . 2 .]" 2
48 1 37 VAL H 1 37 VAL QG 3.161 2.213 4.109 2.716 2.515 2.884 . 0 0 "[ . 1 . 2 .]" 2
49 1 37 VAL QG 1 38 THR H 3.024 2.117 3.931 3.293 3.104 3.353 . 0 0 "[ . 1 . 2 .]" 2
50 1 38 THR H 1 39 GLY QA 4.586 3.210 5.962 5.146 4.991 5.253 . 0 0 "[ . 1 . 2 .]" 2
51 1 39 GLY H 1 82 SER QB 3.700 2.590 4.810 4.332 3.417 4.874 0.064 17 0 "[ . 1 . 2 .]" 2
52 1 39 GLY QA 1 40 PHE H 3.318 2.323 4.313 2.263 2.193 2.342 0.130 17 0 "[ . 1 . 2 .]" 2
53 1 40 PHE H 1 40 PHE QB 3.495 2.447 4.543 2.337 2.221 2.420 0.226 12 0 "[ . 1 . 2 .]" 2
54 1 40 PHE QB 1 41 LEU H 3.503 . 4.554 2.368 2.022 2.731 . 0 0 "[ . 1 . 2 .]" 2
55 1 41 LEU H 1 41 LEU QB 2.931 2.052 3.810 2.978 2.606 3.389 . 0 0 "[ . 1 . 2 .]" 2
56 1 41 LEU QD 1 42 LYS H 2.845 . 3.698 3.314 1.990 3.682 0.002 6 0 "[ . 1 . 2 .]" 2
57 1 42 LYS H 1 42 LYS QB 2.842 . 3.695 2.646 2.422 2.724 . 0 0 "[ . 1 . 2 .]" 2
58 1 42 LYS QG 1 80 ALA H 3.346 2.342 4.350 3.301 2.298 4.200 0.044 5 0 "[ . 1 . 2 .]" 2
59 1 42 LYS QD 1 43 ALA H 3.001 2.101 4.401 3.973 3.692 4.506 0.105 25 0 "[ . 1 . 2 .]" 2
60 1 45 ASP H 1 45 ASP QB 3.232 2.262 4.202 2.349 2.212 2.452 0.050 25 0 "[ . 1 . 2 .]" 2
61 1 46 GLN H 1 46 GLN QG 3.131 2.192 4.070 2.841 2.382 3.766 . 0 0 "[ . 1 . 2 .]" 2
62 1 46 GLN H 1 47 VAL QG 4.880 3.416 6.344 4.386 4.016 4.701 . 0 0 "[ . 1 . 2 .]" 2
63 1 46 GLN QB 1 76 VAL H 3.931 2.752 5.110 5.037 4.490 5.249 0.139 5 0 "[ . 1 . 2 .]" 2
64 1 46 GLN QB 1 121 VAL H 3.796 2.657 4.935 3.981 3.623 4.986 0.051 17 0 "[ . 1 . 2 .]" 2
65 1 46 GLN QB 1 47 VAL H 3.052 2.136 3.968 2.606 2.156 2.852 . 0 0 "[ . 1 . 2 .]" 2
66 1 47 VAL QG 1 120 VAL H 4.152 2.906 5.398 4.221 2.723 4.419 0.183 17 0 "[ . 1 . 2 .]" 2
67 1 48 LYS H 1 48 LYS QD 3.411 2.388 4.434 3.112 2.278 4.311 0.110 5 0 "[ . 1 . 2 .]" 2
68 1 48 LYS H 1 48 LYS HB2 3.256 2.279 4.233 3.204 2.156 3.999 0.123 15 0 "[ . 1 . 2 .]" 2
69 1 48 LYS H 1 48 LYS QG 3.822 2.675 4.969 3.792 2.643 4.269 0.032 23 0 "[ . 1 . 2 .]" 2
70 1 48 LYS QB 1 49 PHE H 3.870 2.709 5.031 3.445 2.669 4.026 0.040 23 0 "[ . 1 . 2 .]" 2
71 1 48 LYS QG 1 49 PHE H 3.740 2.618 4.862 3.539 2.596 4.418 0.022 8 0 "[ . 1 . 2 .]" 2
72 1 48 LYS QG 1 72 PHE H 1.800 . 5.000 4.571 3.379 5.231 0.231 3 0 "[ . 1 . 2 .]" 2
73 1 48 LYS QB 1 74 ALA H 4.293 3.005 5.581 4.625 3.809 5.606 0.025 17 0 "[ . 1 . 2 .]" 2
74 1 48 LYS H 1 48 LYS QE 4.501 3.151 5.851 4.677 3.339 5.894 0.043 12 0 "[ . 1 . 2 .]" 2
75 1 48 LYS H 1 118 VAL QG 3.895 2.727 5.063 3.686 2.968 4.588 . 0 0 "[ . 1 . 2 .]" 2
76 1 48 LYS H 1 119 SER QB 3.915 2.740 5.090 3.671 3.164 4.393 . 0 0 "[ . 1 . 2 .]" 2
77 1 48 LYS QD 1 120 VAL H 4.614 3.230 5.998 4.549 3.365 6.155 0.157 7 0 "[ . 1 . 2 .]" 2
78 1 48 LYS QG 1 120 VAL H 4.398 3.079 5.717 5.543 4.656 5.882 0.165 6 0 "[ . 1 . 2 .]" 2
79 1 48 LYS QD 1 49 PHE H 3.799 2.659 4.939 4.239 3.056 5.269 0.330 17 0 "[ . 1 . 2 .]" 2
80 1 49 PHE H 1 72 PHE QB 1.800 . 5.000 4.783 2.205 5.196 0.196 12 0 "[ . 1 . 2 .]" 2
81 1 50 THR H 1 118 VAL QG 3.860 2.702 5.018 3.912 2.809 4.752 . 0 0 "[ . 1 . 2 .]" 2
82 1 51 ASN H 1 71 SER QB 4.545 3.181 5.909 4.778 3.082 5.920 0.099 22 0 "[ . 1 . 2 .]" 2
83 1 52 THR H 1 53 TYR QB 4.783 3.348 6.218 5.369 3.554 6.194 . 0 0 "[ . 1 . 2 .]" 2
84 1 55 LEU QD 1 56 GLN H 3.482 2.437 4.527 3.618 2.487 4.161 . 0 0 "[ . 1 . 2 .]" 2
85 1 56 GLN H 1 56 GLN QE 4.528 3.170 5.886 4.287 3.117 5.212 0.053 15 0 "[ . 1 . 2 .]" 2
86 1 56 GLN QB 1 57 GLN H 2.492 . 3.240 2.799 1.948 3.299 0.059 8 0 "[ . 1 . 2 .]" 2
87 1 57 GLN H 1 57 GLN QB 3.002 2.101 3.903 2.608 2.405 2.707 . 0 0 "[ . 1 . 2 .]" 2
88 1 57 GLN QG 1 58 GLN H 2.701 . 3.511 3.678 3.517 3.869 0.358 20 0 "[ . 1 . 2 .]" 2
89 1 58 GLN H 1 58 GLN QE 4.296 3.007 5.585 4.517 3.184 5.463 . 0 0 "[ . 1 . 2 .]" 2
90 1 58 GLN H 1 58 GLN QG 2.765 . 3.594 2.497 1.986 3.507 . 0 0 "[ . 1 . 2 .]" 2
91 1 58 GLN QB 1 59 THR H 3.208 2.246 4.170 2.935 2.149 3.644 0.097 5 0 "[ . 1 . 2 .]" 2
92 1 60 LYS QB 1 61 GLN H 2.841 . 3.693 2.531 1.869 3.220 0.120 7 0 "[ . 1 . 2 .]" 2
93 1 60 LYS QB 1 62 ALA H 3.573 2.501 4.645 4.000 2.470 4.761 0.116 7 0 "[ . 1 . 2 .]" 2
94 1 60 LYS H 1 60 LYS QB 2.688 . 3.494 2.448 2.217 2.560 . 0 0 "[ . 1 . 2 .]" 2
95 1 60 LYS H 1 60 LYS QD 3.367 2.357 4.377 3.777 2.342 4.436 0.059 11 0 "[ . 1 . 2 .]" 2
96 1 60 LYS H 1 60 LYS HG2 2.982 2.088 3.876 3.282 2.180 4.112 0.236 7 0 "[ . 1 . 2 .]" 2
97 1 60 LYS QD 1 61 GLN H 4.066 2.846 5.286 4.696 4.024 5.355 0.069 13 0 "[ . 1 . 2 .]" 2
98 1 60 LYS QG 1 61 GLN H 3.257 2.280 4.234 4.032 3.795 4.533 0.299 15 0 "[ . 1 . 2 .]" 2
99 1 61 GLN H 1 63 LEU QD 4.475 3.132 5.818 5.037 3.440 5.942 0.124 13 0 "[ . 1 . 2 .]" 2
100 1 62 ALA H 1 63 LEU QD 4.213 2.949 5.477 3.940 2.910 4.583 0.039 8 0 "[ . 1 . 2 .]" 2
101 1 63 LEU H 1 63 LEU QD 2.839 . 3.691 2.663 1.956 3.415 0.031 2 0 "[ . 1 . 2 .]" 2
102 1 63 LEU H 1 63 LEU QB 2.499 . 3.249 2.674 2.165 3.390 0.141 11 0 "[ . 1 . 2 .]" 2
103 1 63 LEU QB 1 64 TYR H 3.104 2.173 4.035 3.297 2.573 3.778 . 0 0 "[ . 1 . 2 .]" 2
104 1 64 TYR H 1 65 ASN QD 4.301 3.011 5.591 4.972 3.443 5.729 0.138 4 0 "[ . 1 . 2 .]" 2
105 1 64 TYR QB 1 65 ASN H 2.652 . 3.448 3.103 1.883 3.744 0.296 21 0 "[ . 1 . 2 .]" 2
106 1 65 ASN QD 1 66 GLY H 4.389 3.072 5.706 4.632 3.278 5.713 0.007 10 0 "[ . 1 . 2 .]" 2
107 1 65 ASN QB 1 66 GLY H 3.300 2.310 4.290 3.008 2.269 3.912 0.041 14 0 "[ . 1 . 2 .]" 2
108 1 66 GLY QA 1 67 ALA H 2.757 . 3.584 2.496 2.073 2.914 . 0 0 "[ . 1 . 2 .]" 2
109 1 71 SER H 1 71 SER HB2 3.610 2.527 4.693 2.552 2.316 2.812 0.211 9 0 "[ . 1 . 2 .]" 2
110 1 44 GLY H 1 76 VAL MG1 3.297 2.308 4.786 4.525 3.763 5.068 0.282 12 0 "[ . 1 . 2 .]" 2
111 1 76 VAL H 1 76 VAL MG1 3.128 2.190 4.066 2.211 2.135 2.424 0.055 8 0 "[ . 1 . 2 .]" 2
112 1 79 ASP H 1 79 ASP QB 2.877 2.014 3.740 2.399 2.245 2.564 . 0 0 "[ . 1 . 2 .]" 2
113 1 79 ASP QB 1 80 ALA H 3.168 2.218 4.118 2.952 2.206 3.521 0.012 15 0 "[ . 1 . 2 .]" 2
114 1 40 PHE H 1 81 ASN QB 3.908 2.736 5.580 5.296 4.805 5.488 . 0 0 "[ . 1 . 2 .]" 2
115 1 81 ASN H 1 81 ASN QD 3.745 2.621 4.869 4.354 2.568 4.945 0.076 8 0 "[ . 1 . 2 .]" 2
116 1 81 ASN H 1 81 ASN QB 3.265 2.286 4.121 2.484 2.173 2.739 0.113 24 0 "[ . 1 . 2 .]" 2
117 1 81 ASN H 1 88 VAL QG 3.339 2.337 4.341 2.635 2.251 3.498 0.086 10 0 "[ . 1 . 2 .]" 2
118 1 39 GLY QA 1 82 SER H 3.623 2.536 4.710 3.678 3.318 4.221 . 0 0 "[ . 1 . 2 .]" 2
119 1 40 PHE QB 1 82 SER H 4.170 2.919 5.421 4.995 4.598 5.521 0.100 17 0 "[ . 1 . 2 .]" 2
120 1 81 ASN QB 1 82 SER H 3.710 2.597 4.823 3.534 3.145 3.955 . 0 0 "[ . 1 . 2 .]" 2
121 1 82 SER QB 1 83 ASP H 3.354 2.348 4.360 3.802 3.637 4.018 . 0 0 "[ . 1 . 2 .]" 2
122 1 83 ASP H 1 83 ASP QB 3.499 2.449 4.549 2.629 2.410 2.911 0.039 17 0 "[ . 1 . 2 .]" 2
123 1 83 ASP QB 1 85 GLY H 3.940 2.758 5.122 3.363 2.994 3.521 . 0 0 "[ . 1 . 2 .]" 2
124 1 84 SER QB 1 86 GLY H 3.227 2.259 4.195 4.398 4.318 4.482 0.287 22 0 "[ . 1 . 2 .]" 2
125 1 85 GLY QA 1 86 GLY H 3.317 2.322 4.312 2.909 2.852 2.944 . 0 0 "[ . 1 . 2 .]" 2
126 1 30 LEU QB 1 88 VAL H 4.009 2.806 5.212 3.621 3.353 3.759 . 0 0 "[ . 1 . 2 .]" 2
127 1 30 LEU QB 1 88 VAL H 3.714 2.600 4.828 3.646 3.367 3.784 . 0 0 "[ . 1 . 2 .]" 2
128 1 81 ASN QB 1 88 VAL H 3.699 2.589 5.109 5.272 5.134 5.343 0.234 9 0 "[ . 1 . 2 .]" 2
129 1 88 VAL H 1 88 VAL QG 3.427 2.399 4.455 2.263 2.151 2.403 0.248 14 0 "[ . 1 . 2 .]" 2
130 1 88 VAL QG 1 89 THR H 2.994 2.096 3.892 3.024 2.084 3.332 0.012 23 0 "[ . 1 . 2 .]" 2
131 1 81 ASN H 1 90 VAL QG 3.845 2.692 4.998 3.958 2.807 4.702 . 0 0 "[ . 1 . 2 .]" 2
132 1 75 THR H 1 92 LEU QB 3.165 2.215 4.115 2.741 2.168 3.182 0.047 5 0 "[ . 1 . 2 .]" 2
133 1 26 PHE H 1 92 LEU QB 3.224 2.257 4.191 3.350 3.094 3.809 . 0 0 "[ . 1 . 2 .]" 2
134 1 75 THR H 1 92 LEU QD 3.661 2.563 4.759 2.695 2.520 3.282 0.043 6 0 "[ . 1 . 2 .]" 2
135 1 92 LEU H 1 92 LEU HB2 3.238 2.267 4.209 2.227 2.041 2.399 0.226 20 0 "[ . 1 . 2 .]" 2
136 1 25 GLN QG 1 94 GLY H 1.800 . 5.000 1.981 1.766 2.282 0.034 5 0 "[ . 1 . 2 .]" 2
137 1 97 ILE H 1 97 ILE QG 3.235 2.265 4.205 2.353 1.830 3.288 0.435 13 0 "[ . 1 . 2 .]" 2
138 1 98 TYR H 1 98 TYR QB 3.120 2.184 4.056 2.687 2.209 3.462 . 0 0 "[ . 1 . 2 .]" 2
139 1 98 TYR QB 1 99 ASP H 3.162 2.214 4.110 3.344 2.113 3.897 0.101 18 0 "[ . 1 . 2 .]" 2
140 1 99 ASP QB 1 100 THR H 3.309 2.316 4.302 3.139 2.168 4.009 0.148 22 0 "[ . 1 . 2 .]" 2
141 1 101 THR H 1 102 ASN QB 3.019 2.113 3.925 3.980 3.806 4.178 0.253 3 0 "[ . 1 . 2 .]" 2
142 1 102 ASN H 1 102 ASN QB 2.800 . 3.640 2.585 2.186 3.324 . 0 0 "[ . 1 . 2 .]" 2
143 1 102 ASN H 1 103 PRO QD 3.437 . 4.468 3.053 1.973 4.508 0.040 10 0 "[ . 1 . 2 .]" 2
144 1 103 PRO QB 1 104 GLN H 2.555 . 3.321 2.858 1.846 3.656 0.335 10 0 "[ . 1 . 2 .]" 2
145 1 103 PRO QD 1 104 GLN H 3.304 2.313 4.295 3.346 2.267 4.771 0.476 19 0 "[ . 1 . 2 .]" 2
146 1 104 GLN H 1 104 GLN QG 2.758 . 3.585 2.644 1.919 3.343 0.012 20 0 "[ . 1 . 2 .]" 2
147 1 104 GLN H 1 104 GLN QE 4.055 2.839 5.271 4.181 2.834 5.294 0.023 17 0 "[ . 1 . 2 .]" 2
148 1 104 GLN QE 1 105 TYR H 3.130 2.191 4.069 4.054 3.519 4.284 0.215 24 0 "[ . 1 . 2 .]" 2
149 1 104 GLN QB 1 105 TYR H 2.710 . 3.523 2.727 1.919 3.819 0.296 18 0 "[ . 1 . 2 .]" 2
150 1 105 TYR H 1 105 TYR QB 2.815 . 3.660 2.908 2.329 3.427 . 0 0 "[ . 1 . 2 .]" 2
151 1 106 ASN H 1 107 SER QB 4.901 3.431 6.371 4.746 3.783 5.866 . 0 0 "[ . 1 . 2 .]" 2
152 1 106 ASN QD 1 107 SER H 4.859 3.401 6.317 4.533 3.329 5.380 0.072 10 0 "[ . 1 . 2 .]" 2
153 1 107 SER H 1 108 VAL QG 4.264 2.985 5.543 4.228 3.037 5.213 . 0 0 "[ . 1 . 2 .]" 2
154 1 106 ASN QB 1 108 VAL H 3.909 2.736 5.082 4.272 3.393 5.293 0.211 1 0 "[ . 1 . 2 .]" 2
155 1 107 SER QB 1 108 VAL H 3.069 2.148 3.990 3.331 2.077 4.024 0.071 23 0 "[ . 1 . 2 .]" 2
156 1 108 VAL H 1 108 VAL QG 2.611 . 3.394 2.280 1.816 2.805 0.012 14 0 "[ . 1 . 2 .]" 2
157 1 108 VAL QG 1 109 SER H 2.754 . 3.580 2.975 2.120 3.732 0.152 3 0 "[ . 1 . 2 .]" 2
158 1 109 SER H 1 109 SER QB 2.825 . 3.672 2.672 2.267 3.344 . 0 0 "[ . 1 . 2 .]" 2
159 1 108 VAL QG 1 110 ARG H 3.914 2.740 5.088 4.178 2.720 5.040 0.020 8 0 "[ . 1 . 2 .]" 2
160 1 14 THR HG1 1 112 VAL H 4.107 2.875 5.339 4.957 3.553 5.391 0.052 21 0 "[ . 1 . 2 .]" 2
161 1 111 GLN QG 1 112 VAL H 4.130 2.891 5.369 4.199 3.666 4.808 . 0 0 "[ . 1 . 2 .]" 2
162 1 12 GLN QE 1 113 GLU H 3.996 2.797 5.195 4.770 3.208 5.317 0.122 25 0 "[ . 1 . 2 .]" 2
163 1 113 GLU H 1 113 GLU QB 3.785 2.650 4.920 2.652 1.954 3.164 0.696 17 1 "[ . 1 . + 2 .]" 2
164 1 113 GLU QG 1 115 GLY H 3.956 2.769 5.143 5.136 4.641 5.275 0.132 17 0 "[ . 1 . 2 .]" 2
165 1 9 VAL H 1 116 ASP QB 4.583 3.208 5.958 4.652 3.804 5.591 . 0 0 "[ . 1 . 2 .]" 2
166 1 116 ASP H 1 116 ASP QB 3.383 2.368 4.398 2.545 2.242 2.944 0.126 3 0 "[ . 1 . 2 .]" 2
167 1 117 ALA H 1 118 VAL QG 4.486 3.140 6.332 4.314 4.012 4.749 . 0 0 "[ . 1 . 2 .]" 2
168 1 47 VAL QG 1 119 SER H 3.694 2.586 4.802 4.053 3.840 4.533 . 0 0 "[ . 1 . 2 .]" 2
169 1 118 VAL H 1 118 VAL QG 3.448 2.413 4.483 2.751 2.559 2.958 . 0 0 "[ . 1 . 2 .]" 2
170 1 48 LYS QG 1 119 SER H 3.950 2.765 5.135 4.648 3.098 5.359 0.224 17 0 "[ . 1 . 2 .]" 2
171 1 120 VAL H 1 120 VAL QG 2.693 . 3.501 2.541 1.958 3.085 . 0 0 "[ . 1 . 2 .]" 2
172 1 47 VAL QG 1 121 VAL H 3.802 2.661 4.943 3.507 3.264 4.767 . 0 0 "[ . 1 . 2 .]" 2
173 1 120 VAL QG 1 121 VAL H 2.885 2.019 3.751 2.418 1.972 3.684 0.047 24 0 "[ . 1 . 2 .]" 2
174 1 121 VAL H 1 121 VAL QG 3.085 2.160 4.010 2.346 2.133 2.749 0.027 2 0 "[ . 1 . 2 .]" 2
175 1 122 GLY H 1 122 GLY QA 3.109 2.176 4.042 2.326 2.181 2.501 . 0 0 "[ . 1 . 2 .]" 2
176 1 122 GLY QA 1 123 THR H 2.502 . 3.253 2.223 2.050 2.523 . 0 0 "[ . 1 . 2 .]" 2
177 1 6 THR HA 1 7 LEU QD 4.892 3.425 5.000 3.716 3.270 4.379 0.155 22 0 "[ . 1 . 2 .]" 2
178 1 7 LEU HB2 1 7 LEU QD 3.706 2.594 4.818 2.160 2.090 2.196 0.504 11 3 "[ *- 1+ . 2 .]" 2
179 1 7 LEU HA 1 7 LEU QD 3.462 2.424 4.500 2.744 2.241 3.125 0.183 16 0 "[ . 1 . 2 .]" 2
180 1 7 LEU HA 1 7 LEU QB 4.117 2.082 5.000 2.379 2.301 2.470 . 0 0 "[ . 1 . 2 .]" 2
181 1 7 LEU QD 1 33 ALA MB 1.800 . 8.000 4.229 2.322 5.492 . 0 0 "[ . 1 . 2 .]" 2
182 1 9 VAL HA 1 9 VAL QG 4.039 . 5.000 2.124 2.084 2.142 . 0 0 "[ . 1 . 2 .]" 2
183 1 12 GLN HA 1 12 GLN QG 3.770 2.639 4.901 2.614 2.500 3.330 0.139 23 0 "[ . 1 . 2 .]" 2
184 1 12 GLN HA 1 12 GLN QB 3.739 2.117 4.861 2.341 2.217 2.545 . 0 0 "[ . 1 . 2 .]" 2
185 1 13 PRO QD 1 112 VAL HB 1.800 . 5.000 3.102 1.898 5.094 0.094 10 0 "[ . 1 . 2 .]" 2
186 1 15 VAL QG 1 16 THR HA 3.847 2.693 5.000 3.765 3.417 4.351 . 0 0 "[ . 1 . 2 .]" 2
187 1 15 VAL QG 1 16 THR HB 3.684 2.579 4.789 3.036 2.485 4.462 0.094 4 0 "[ . 1 . 2 .]" 2
188 1 15 VAL QG 1 26 PHE QB 1.800 . 6.500 3.500 1.717 4.308 0.083 20 0 "[ . 1 . 2 .]" 2
189 1 18 ASN QB 1 21 LYS QB 1.800 . 5.000 2.446 2.167 3.001 . 0 0 "[ . 1 . 2 .]" 2
190 1 18 ASN QB 1 21 LYS QD 1.800 . 5.000 4.985 4.062 5.114 0.114 11 0 "[ . 1 . 2 .]" 2
191 1 18 ASN QB 1 21 LYS QG 4.854 3.398 5.000 3.397 3.318 4.223 0.080 13 0 "[ . 1 . 2 .]" 2
192 1 20 VAL HA 1 20 VAL QG 3.292 2.304 4.280 2.168 2.162 2.173 0.142 19 0 "[ . 1 . 2 .]" 2
193 1 20 VAL HB 1 20 VAL MG1 3.160 2.212 4.108 2.131 2.125 2.137 0.087 14 0 "[ . 1 . 2 .]" 2
194 1 20 VAL HB 1 20 VAL MG2 2.834 . 3.684 2.130 2.125 2.135 . 0 0 "[ . 1 . 2 .]" 2
195 1 18 ASN HB2 1 23 SER HB2 1.800 . 5.000 3.541 2.486 5.010 0.010 10 0 "[ . 1 . 2 .]" 2
196 1 18 ASN HB3 1 23 SER HB2 1.800 . 5.000 2.455 1.978 3.653 . 0 0 "[ . 1 . 2 .]" 2
197 1 18 ASN HB3 1 23 SER HB3 1.800 . 5.000 3.587 2.125 4.266 . 0 0 "[ . 1 . 2 .]" 2
198 1 23 SER HA 1 23 SER HB2 3.404 2.383 4.425 2.927 2.471 3.033 . 0 0 "[ . 1 . 2 .]" 2
199 1 23 SER HA 1 23 SER HB3 3.480 2.436 4.524 2.553 2.409 3.028 0.027 15 0 "[ . 1 . 2 .]" 2
200 1 16 THR MG 1 24 TYR QB 1.800 . 6.300 5.879 5.200 6.326 0.026 23 0 "[ . 1 . 2 .]" 2
201 1 17 TYR QD 1 24 TYR QB . 3.473 4.029 3.739 3.383 4.045 0.090 4 0 "[ . 1 . 2 .]" 2
202 1 17 TYR QB 1 24 TYR QD 4.876 3.413 5.000 3.599 3.299 3.996 0.114 25 0 "[ . 1 . 2 .]" 2
203 1 16 THR HB 1 25 GLN QG 4.406 2.384 5.000 4.094 2.665 5.043 0.043 18 0 "[ . 1 . 2 .]" 2
204 1 16 THR HB 1 25 GLN QB 1.800 . 5.000 3.082 2.197 3.430 . 0 0 "[ . 1 . 2 .]" 2
205 1 25 GLN HA 1 25 GLN QB 4.168 2.135 5.000 2.351 2.314 2.466 . 0 0 "[ . 1 . 2 .]" 2
206 1 25 GLN QB 1 26 PHE HA 1.800 . 5.000 3.814 3.528 4.094 . 0 0 "[ . 1 . 2 .]" 2
207 1 25 GLN QB 1 94 GLY QA 1.800 . 5.500 5.498 4.177 5.682 0.182 17 0 "[ . 1 . 2 .]" 2
208 1 15 VAL HA 1 26 PHE QB 1.800 . 5.000 4.381 1.792 5.183 0.183 3 0 "[ . 1 . 2 .]" 2
209 1 26 PHE HA 1 26 PHE QB 4.969 . 5.000 2.146 2.135 2.162 . 0 0 "[ . 1 . 2 .]" 2
210 1 15 VAL QG 1 27 THR HB 1.800 . 6.500 3.250 2.069 6.626 0.126 9 0 "[ . 1 . 2 .]" 2
211 1 27 THR HA 1 28 VAL QG 1.800 . 5.000 3.472 3.122 3.963 . 0 0 "[ . 1 . 2 .]" 2
212 1 12 GLN QG 1 28 VAL QG 5.000 . 5.300 4.899 3.736 5.417 0.117 9 0 "[ . 1 . 2 .]" 2
213 1 30 LEU QD 1 88 VAL HB 4.923 3.446 5.500 4.736 4.128 5.073 . 0 0 "[ . 1 . 2 .]" 2
214 1 30 LEU QD 1 88 VAL HA 1.800 . 5.300 4.858 4.416 5.144 . 0 0 "[ . 1 . 2 .]" 2
215 1 30 LEU HB2 1 88 VAL HA 4.823 3.376 5.300 4.861 4.432 5.157 . 0 0 "[ . 1 . 2 .]" 2
216 1 10 LYS QE 1 31 THR HB 1.800 . 5.000 4.740 3.609 5.157 0.157 4 0 "[ . 1 . 2 .]" 2
217 1 10 LYS QD 1 31 THR HA 4.990 . 5.300 4.581 3.223 5.442 0.142 16 0 "[ . 1 . 2 .]" 2
218 1 10 LYS QD 1 31 THR HB 3.937 2.756 5.000 4.471 3.594 5.064 0.064 21 0 "[ . 1 . 2 .]" 2
219 1 31 THR HG1 1 32 GLY QA 1.800 . 5.000 4.426 4.293 4.653 . 0 0 "[ . 1 . 2 .]" 2
220 1 31 THR HG1 1 87 ASP HA 4.589 2.612 5.000 2.678 2.552 3.013 0.060 19 0 "[ . 1 . 2 .]" 2
221 1 7 LEU QB 1 33 ALA MB 1.800 . 6.500 6.116 4.685 6.730 0.230 17 0 "[ . 1 . 2 .]" 2
222 1 39 GLY HA3 1 40 PHE QB 1.800 . 5.000 5.099 5.048 5.168 0.168 13 0 "[ . 1 . 2 .]" 2
223 1 39 GLY HA2 1 40 PHE QB 1.800 . 5.000 4.116 4.042 4.266 . 0 0 "[ . 1 . 2 .]" 2
224 1 46 GLN HA 1 47 VAL QG 3.874 2.712 5.000 3.146 3.018 3.301 . 0 0 "[ . 1 . 2 .]" 2
225 1 46 GLN QB 1 75 THR HA 1.800 . 5.000 3.758 3.125 4.037 . 0 0 "[ . 1 . 2 .]" 2
226 1 46 GLN QG 1 75 THR HA 4.704 3.293 5.000 3.363 3.154 4.088 0.139 18 0 "[ . 1 . 2 .]" 2
227 1 46 GLN HB3 1 75 THR HB 5.000 . 5.500 5.787 5.093 6.102 0.602 24 5 "[ *- 1 * *. 2 +.]" 2
228 1 46 GLN QG 1 75 THR HB 5.000 . 5.000 4.370 3.964 5.078 0.078 2 0 "[ . 1 . 2 .]" 2
229 1 47 VAL QG 1 74 ALA HA 5.000 . 5.000 3.943 3.665 4.119 . 0 0 "[ . 1 . 2 .]" 2
230 1 47 VAL HB 1 119 SER QB 5.000 . 5.500 5.192 4.585 5.582 0.082 9 0 "[ . 1 . 2 .]" 2
231 1 47 VAL QG 1 120 VAL HB 5.000 . 5.000 4.253 3.818 4.534 . 0 0 "[ . 1 . 2 .]" 2
232 1 47 VAL HA 1 120 VAL QG 4.238 2.967 5.000 2.993 2.768 3.205 0.199 17 0 "[ . 1 . 2 .]" 2
233 1 47 VAL HB 1 120 VAL QG 4.213 2.949 5.000 3.983 3.740 4.276 . 0 0 "[ . 1 . 2 .]" 2
234 1 48 LYS QB 1 49 PHE HA 5.000 . 5.000 4.452 3.620 4.823 . 0 0 "[ . 1 . 2 .]" 2
235 1 53 TYR HA 1 113 GLU QB 3.805 2.663 5.447 4.922 3.124 5.622 0.175 9 0 "[ . 1 . 2 .]" 2
236 1 54 TRP HA 1 54 TRP QB 3.202 2.241 4.163 2.348 2.161 2.539 0.080 5 0 "[ . 1 . 2 .]" 2
237 1 61 GLN HA 1 61 GLN QG 3.421 2.395 4.447 2.544 2.318 2.977 0.077 18 0 "[ . 1 . 2 .]" 2
238 1 65 ASN HA 1 65 ASN QB 3.277 2.294 4.260 2.314 2.195 2.494 0.099 5 0 "[ . 1 . 2 .]" 2
239 1 54 TRP QB 1 68 THR HB 1.800 . 5.000 4.855 3.696 5.220 0.220 18 0 "[ . 1 . 2 .]" 2
240 1 48 LYS HB3 1 73 THR HA 1.800 . 5.500 4.179 2.625 5.394 . 0 0 "[ . 1 . 2 .]" 2
241 1 48 LYS QG 1 73 THR HA 1.800 . 5.000 3.872 2.583 4.704 . 0 0 "[ . 1 . 2 .]" 2
242 1 46 GLN HE21 1 74 ALA MB 3.702 2.591 5.313 5.710 5.378 5.983 0.670 25 6 "[ * *. * 1 - . * 2 +]" 2
243 1 42 LYS QG 1 78 ALA HA 3.558 2.491 4.625 4.764 4.639 4.871 0.246 15 0 "[ . 1 . 2 .]" 2
244 1 81 ASN QB 1 88 VAL HA 5.000 . 5.000 2.812 2.629 3.049 . 0 0 "[ . 1 . 2 .]" 2
245 1 83 ASP HA 1 84 SER QB 4.004 2.803 5.000 4.570 4.037 4.918 . 0 0 "[ . 1 . 2 .]" 2
246 1 30 LEU QB 1 88 VAL HB 4.451 3.116 5.000 4.373 3.923 4.731 . 0 0 "[ . 1 . 2 .]" 2
247 1 31 THR HA 1 88 VAL QG 1.800 . 5.000 2.809 2.609 3.292 . 0 0 "[ . 1 . 2 .]" 2
248 1 80 ALA HA 1 88 VAL QG 4.672 3.270 5.000 3.256 3.011 3.926 0.259 23 0 "[ . 1 . 2 .]" 2
249 1 80 ALA MB 1 88 VAL QG 3.195 2.236 4.454 2.146 2.020 2.814 0.216 21 0 "[ . 1 . 2 .]" 2
250 1 82 SER HB2 1 88 VAL QG 4.933 . 5.500 5.007 3.892 5.666 0.166 5 0 "[ . 1 . 2 .]" 2
251 1 82 SER QB 1 88 VAL QG 4.922 3.445 5.000 4.192 3.774 4.401 . 0 0 "[ . 1 . 2 .]" 2
252 1 82 SER QB 1 88 VAL HB 1.800 . 5.000 4.372 3.909 4.750 . 0 0 "[ . 1 . 2 .]" 2
253 1 87 ASP HA 1 88 VAL QG 1.800 . 5.000 3.356 3.100 3.604 . 0 0 "[ . 1 . 2 .]" 2
254 1 88 VAL HA 1 88 VAL QG 3.937 2.756 5.000 2.510 2.454 2.609 0.302 24 0 "[ . 1 . 2 .]" 2
255 1 30 LEU QD 1 89 THR HB 4.719 3.303 5.500 5.152 4.518 5.532 0.032 15 0 "[ . 1 . 2 .]" 2
256 1 89 THR HA 1 89 THR HG1 4.052 2.837 5.000 2.483 2.429 2.522 0.408 3 0 "[ . 1 . 2 .]" 2
257 1 77 THR HB 1 90 VAL QG 1.800 . 6.500 5.367 3.304 6.616 0.116 5 0 "[ . 1 . 2 .]" 2
258 1 78 ALA HA 1 90 VAL QG 1.800 . 5.000 4.715 3.758 5.171 0.171 20 0 "[ . 1 . 2 .]" 2
259 1 26 PHE HA 1 91 THR HG1 4.720 3.304 5.000 3.906 3.576 4.154 . 0 0 "[ . 1 . 2 .]" 2
260 1 26 PHE HB2 1 91 THR HG1 1.800 . 5.000 5.058 4.877 5.121 0.121 4 0 "[ . 1 . 2 .]" 2
261 1 28 VAL QG 1 91 THR HA 4.718 3.303 5.000 3.555 3.242 4.353 0.061 2 0 "[ . 1 . 2 .]" 2
262 1 91 THR HA 1 91 THR MG 4.147 2.903 5.000 2.614 2.593 2.647 0.310 8 0 "[ . 1 . 2 .]" 2
263 1 91 THR HB 1 91 THR MG 3.398 2.378 4.418 2.156 2.154 2.160 0.224 20 0 "[ . 1 . 2 .]" 2
264 1 91 THR HA 1 92 LEU QB 4.289 3.002 5.000 4.292 4.211 4.383 . 0 0 "[ . 1 . 2 .]" 2
265 1 26 PHE HA 1 92 LEU QB 4.754 3.328 5.000 5.127 5.001 5.224 0.224 4 0 "[ . 1 . 2 .]" 2
266 1 75 THR MG 1 92 LEU QB 1.800 . 5.000 4.898 4.367 5.096 0.096 25 0 "[ . 1 . 2 .]" 2
267 1 91 THR MG 1 92 LEU HA 4.793 3.355 5.000 3.657 3.525 3.833 . 0 0 "[ . 1 . 2 .]" 2
268 1 25 GLN HA 1 93 SER QB 1.800 . 5.000 4.006 3.350 4.581 . 0 0 "[ . 1 . 2 .]" 2
269 1 25 GLN QG 1 93 SER HA 1.800 . 5.000 2.289 1.895 3.177 . 0 0 "[ . 1 . 2 .]" 2
270 1 25 GLN QB 1 93 SER HA 1.800 . 5.000 2.864 2.501 4.144 . 0 0 "[ . 1 . 2 .]" 2
271 1 75 THR MG 1 93 SER QB 1.800 . 6.500 2.507 2.321 3.002 . 0 0 "[ . 1 . 2 .]" 2
272 1 24 TYR QB 1 95 VAL HB 1.800 . 5.000 4.564 3.692 5.230 0.230 20 0 "[ . 1 . 2 .]" 2
273 1 24 TYR HA 1 95 VAL QG 1.800 . 6.500 4.508 3.171 6.149 . 0 0 "[ . 1 . 2 .]" 2
274 1 24 TYR QB 1 95 VAL QG 1.800 . 6.500 2.613 1.815 3.962 . 0 0 "[ . 1 . 2 .]" 2
275 1 102 ASN HA 1 103 PRO QD 3.592 2.514 4.670 2.697 2.128 3.578 0.386 14 0 "[ . 1 . 2 .]" 2
276 1 102 ASN QB 1 103 PRO HA 1.800 . 5.000 4.589 3.996 5.056 0.056 2 0 "[ . 1 . 2 .]" 2
277 1 102 ASN HA 1 103 PRO QG 4.167 2.917 5.000 4.468 4.017 5.147 0.147 22 0 "[ . 1 . 2 .]" 2
278 1 103 PRO HA 1 103 PRO QG 3.559 2.491 4.627 3.281 2.909 3.539 . 0 0 "[ . 1 . 2 .]" 2
279 1 103 PRO HA 1 103 PRO QB 3.660 2.162 4.758 2.190 2.173 2.224 . 0 0 "[ . 1 . 2 .]" 2
280 1 103 PRO HA 1 103 PRO QD 4.982 3.487 5.000 3.466 3.400 3.555 0.087 17 0 "[ . 1 . 2 .]" 2
281 1 105 TYR HA 1 105 TYR QB 3.753 2.627 4.879 2.424 2.377 2.499 0.250 9 0 "[ . 1 . 2 .]" 2
282 1 106 ASN HA 1 106 ASN QB 2.896 2.027 3.765 2.377 2.189 2.483 . 0 0 "[ . 1 . 2 .]" 2
283 1 111 GLN HA 1 111 GLN QG 4.393 . 5.000 2.714 2.289 3.079 . 0 0 "[ . 1 . 2 .]" 2
284 1 111 GLN HA 1 112 VAL QG 1.800 . 5.000 3.419 3.195 4.027 . 0 0 "[ . 1 . 2 .]" 2
285 1 12 GLN QG 1 112 VAL MG2 1.800 . 5.000 3.768 2.673 5.265 0.265 17 0 "[ . 1 . 2 .]" 2
286 1 13 PRO HG2 1 112 VAL HA 3.627 2.539 5.715 5.513 4.280 6.011 0.296 17 0 "[ . 1 . 2 .]" 2
287 1 14 THR HA 1 112 VAL QG 4.593 3.215 5.000 3.655 3.072 4.481 0.143 23 0 "[ . 1 . 2 .]" 2
288 1 12 GLN HB3 1 113 GLU QB 4.423 3.096 5.500 5.492 4.708 5.985 0.485 22 0 "[ . 1 . 2 .]" 2
289 1 12 GLN QG 1 114 ALA HA 1.800 . 5.000 3.682 2.382 5.258 0.258 7 0 "[ . 1 . 2 .]" 2
290 1 12 GLN QB 1 114 ALA HA 1.800 . 5.000 4.892 4.306 5.148 0.148 2 0 "[ . 1 . 2 .]" 2
291 1 116 ASP HA 1 116 ASP QB 4.136 2.095 5.000 2.307 2.157 2.447 . 0 0 "[ . 1 . 2 .]" 2
292 1 7 LEU MD1 1 118 VAL HA 1.800 . 5.000 5.003 4.250 5.578 0.578 16 1 "[ . 1 .+ 2 .]" 2
293 1 7 LEU QD 1 118 VAL HB 3.847 2.693 5.000 3.476 3.258 5.099 0.099 17 0 "[ . 1 . 2 .]" 2
294 1 8 THR HA 1 118 VAL QG 4.800 3.360 5.000 3.307 3.205 3.715 0.155 2 0 "[ . 1 . 2 .]" 2
295 1 117 ALA HA 1 118 VAL QG 1.800 . 5.000 3.403 2.864 3.780 . 0 0 "[ . 1 . 2 .]" 2
296 1 5 GLY QA 1 119 SER HA 4.122 2.885 5.000 4.467 2.944 5.096 0.096 17 0 "[ . 1 . 2 .]" 2
297 1 6 THR MG 1 119 SER QB 4.523 3.166 5.000 4.145 3.160 4.754 0.006 16 0 "[ . 1 . 2 .]" 2
298 1 48 LYS QD 1 119 SER QB 1.800 . 5.000 2.992 1.928 4.819 . 0 0 "[ . 1 . 2 .]" 2
299 1 48 LYS QB 1 119 SER QB 1.800 . 5.000 3.006 1.784 5.095 0.095 9 0 "[ . 1 . 2 .]" 2
300 1 118 VAL QG 1 119 SER HA 1.800 . 5.000 3.083 2.907 3.846 . 0 0 "[ . 1 . 2 .]" 2
301 1 47 VAL QG 1 120 VAL MG1 2.908 2.036 3.780 2.805 2.458 4.653 0.873 17 1 "[ . 1 . + 2 .]" 2
302 1 119 SER HA 1 120 VAL QG 4.527 3.169 5.000 3.217 3.073 4.094 0.096 12 0 "[ . 1 . 2 .]" 2
303 1 46 GLN QB 1 121 VAL MG1 1.800 . 5.000 2.834 1.784 5.104 0.104 17 0 "[ . 1 . 2 .]" 2
304 1 46 GLN QB 1 121 VAL MG2 3.404 2.383 4.425 2.896 1.914 3.996 0.469 24 0 "[ . 1 . 2 .]" 2
305 1 46 GLN QB 1 121 VAL HA 1.800 . 5.000 4.942 4.252 5.113 0.113 8 0 "[ . 1 . 2 .]" 2
306 1 47 VAL HA 1 121 VAL QG 4.065 2.846 5.000 3.018 2.733 3.838 0.113 2 0 "[ . 1 . 2 .]" 2
307 1 120 VAL HA 1 121 VAL QG 3.868 2.708 5.000 3.793 3.416 4.104 . 0 0 "[ . 1 . 2 .]" 2
308 1 123 THR HA 1 123 THR HG1 3.263 2.284 4.242 2.250 2.213 2.298 0.071 11 0 "[ . 1 . 2 .]" 2
309 1 123 THR HB 1 123 THR HG1 2.933 2.053 3.813 2.017 1.903 2.079 0.150 5 0 "[ . 1 . 2 .]" 2
310 1 17 TYR HA 1 17 TYR QD 3.708 2.595 4.821 2.823 2.476 3.071 0.119 2 0 "[ . 1 . 2 .]" 2
311 1 17 TYR HB2 1 17 TYR QE 3.355 2.348 4.362 4.425 4.361 4.487 0.125 2 0 "[ . 1 . 2 .]" 2
312 1 17 TYR HB3 1 17 TYR QE 3.305 2.314 4.296 4.380 4.347 4.435 0.139 16 0 "[ . 1 . 2 .]" 2
313 1 17 TYR HB2 1 17 TYR QD 3.653 2.157 4.749 2.500 2.273 2.762 . 0 0 "[ . 1 . 2 .]" 2
314 1 17 TYR HB3 1 17 TYR QD 3.026 2.118 3.934 2.335 2.241 2.564 . 0 0 "[ . 1 . 2 .]" 2
315 1 17 TYR QE 1 24 TYR QB 3.590 2.513 4.667 3.553 3.031 4.157 . 0 0 "[ . 1 . 2 .]" 2
316 1 17 TYR QE 1 97 ILE MG 3.683 2.578 6.788 4.766 2.532 6.841 0.053 15 0 "[ . 1 . 2 .]" 2
317 1 17 TYR QE 1 97 ILE MD 3.370 2.359 6.381 4.876 2.347 6.515 0.134 15 0 "[ . 1 . 2 .]" 2
318 1 17 TYR QE 1 24 TYR QE 3.293 2.305 4.281 3.836 2.984 4.375 0.094 6 0 "[ . 1 . 2 .]" 2
319 1 17 TYR QD 1 24 TYR QE 3.562 2.493 4.631 2.939 2.476 3.552 0.017 15 0 "[ . 1 . 2 .]" 2
320 1 17 TYR QE 1 24 TYR QD 3.251 2.276 4.226 3.443 2.707 3.913 . 0 0 "[ . 1 . 2 .]" 2
321 1 17 TYR QD 1 24 TYR QD 3.410 2.387 4.433 2.796 2.231 3.325 0.156 20 0 "[ . 1 . 2 .]" 2
322 1 17 TYR HB3 1 24 TYR QD 3.079 2.155 4.003 3.806 3.412 4.492 0.489 1 0 "[ . 1 . 2 .]" 2
323 1 17 TYR HB2 1 24 TYR QE 3.782 2.648 5.216 5.145 4.132 5.437 0.221 25 0 "[ . 1 . 2 .]" 2
324 1 17 TYR HB3 1 24 TYR QE 3.574 2.502 4.646 3.799 2.532 4.810 0.164 1 0 "[ . 1 . 2 .]" 2
325 1 18 ASN HA 1 24 TYR QE 1.800 . 7.000 2.731 1.969 3.584 . 0 0 "[ . 1 . 2 .]" 2
326 1 18 ASN HA 1 24 TYR QD 3.696 2.587 4.805 3.979 3.207 4.412 . 0 0 "[ . 1 . 2 .]" 2
327 1 19 ALA MB 1 24 TYR QE 2.613 . 3.397 2.488 2.200 2.978 . 0 0 "[ . 1 . 2 .]" 2
328 1 19 ALA MB 1 24 TYR QD 3.651 2.556 5.046 4.351 3.975 4.809 . 0 0 "[ . 1 . 2 .]" 2
329 1 26 PHE HZ 1 74 ALA MB 3.509 2.456 4.862 2.366 2.242 2.758 0.214 13 0 "[ . 1 . 2 .]" 2
330 1 26 PHE QE 1 74 ALA MB 3.207 2.245 4.160 2.443 2.161 2.896 0.084 9 0 "[ . 1 . 2 .]" 2
331 1 26 PHE HZ 1 92 LEU QD 3.354 2.348 4.360 2.708 2.227 4.374 0.121 9 0 "[ . 1 . 2 .]" 2
332 1 26 PHE QE 1 92 LEU QD 1.800 . 7.500 2.089 1.720 3.109 0.080 7 0 "[ . 1 . 2 .]" 2
333 1 7 LEU HG 1 40 PHE HZ 3.319 2.323 4.315 4.352 4.108 4.503 0.188 16 0 "[ . 1 . 2 .]" 2
334 1 7 LEU QD 1 40 PHE HZ 3.607 2.525 4.689 2.937 2.331 3.584 0.194 16 0 "[ . 1 . 2 .]" 2
335 1 33 ALA MB 1 40 PHE HZ 1.800 . 6.500 2.949 2.160 5.631 . 0 0 "[ . 1 . 2 .]" 2
336 1 33 ALA HA 1 40 PHE HZ 1.800 . 5.000 4.556 4.004 5.114 0.114 12 0 "[ . 1 . 2 .]" 2
337 1 26 PHE HZ 1 49 PHE HZ 3.854 2.698 5.010 4.147 2.684 5.115 0.105 22 0 "[ . 1 . 2 .]" 2
338 1 26 PHE QE 1 49 PHE HZ 3.794 2.656 4.932 3.432 2.601 4.719 0.055 5 0 "[ . 1 . 2 .]" 2
339 1 26 PHE QE 1 49 PHE QE 3.058 2.141 3.975 2.147 2.054 2.181 0.087 18 0 "[ . 1 . 2 .]" 2
340 1 26 PHE QE 1 49 PHE HA 3.414 2.390 4.438 3.234 2.402 3.613 . 0 0 "[ . 1 . 2 .]" 2
341 1 49 PHE HZ 1 74 ALA MB 4.451 2.016 5.786 4.033 2.518 5.912 0.126 21 0 "[ . 1 . 2 .]" 2
342 1 49 PHE HA 1 49 PHE QE 4.200 2.940 5.460 4.079 3.240 4.642 . 0 0 "[ . 1 . 2 .]" 2
343 1 49 PHE QE 1 92 LEU QB 4.001 2.801 5.501 5.000 4.258 5.637 0.136 3 0 "[ . 1 . 2 .]" 2
344 1 26 PHE QE 1 97 ILE MD 2.996 2.097 8.895 4.612 2.147 5.957 . 0 0 "[ . 1 . 2 .]" 2
345 1 26 PHE HZ 1 97 ILE MD 3.887 2.721 7.053 5.598 3.286 7.099 0.046 1 0 "[ . 1 . 2 .]" 2
346 1 49 PHE HZ 1 97 ILE MD 3.454 2.418 8.490 6.042 2.455 8.536 0.046 21 0 "[ . 1 . 2 .]" 2
347 1 49 PHE QE 1 97 ILE MD 2.956 2.069 7.843 5.567 3.456 7.852 0.009 14 0 "[ . 1 . 2 .]" 2
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