NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
580288 |
2mqe   |
25030 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mqe
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 1609
_Distance_constraint_stats_list.Viol_count 6070
_Distance_constraint_stats_list.Viol_total 26829.811
_Distance_constraint_stats_list.Viol_max 0.667
_Distance_constraint_stats_list.Viol_rms 0.0614
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0185
_Distance_constraint_stats_list.Viol_average_violations_only 0.1473
_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 9 GLU 1.567 0.314 16 0 "[ . 1 . 2 . 3]"
1 10 VAL 6.139 0.421 12 0 "[ . 1 . 2 . 3]"
1 11 GLN 8.377 0.317 22 0 "[ . 1 . 2 . 3]"
1 12 THR 6.831 0.305 11 0 "[ . 1 . 2 . 3]"
1 13 LYS 22.574 0.540 21 4 "[ -. 1 . *2+ . *]"
1 14 HIS 5.889 0.381 27 0 "[ . 1 . 2 . 3]"
1 15 PHE 34.635 0.438 18 0 "[ . 1 . 2 . 3]"
1 16 THR 4.634 0.264 24 0 "[ . 1 . 2 . 3]"
1 17 LEU 39.692 0.468 26 0 "[ . 1 . 2 . 3]"
1 18 LYS 9.922 0.583 12 2 "[ . 1 + -. 2 . 3]"
1 19 SER 2.868 0.276 23 0 "[ . 1 . 2 . 3]"
1 20 ASP 2.201 0.563 14 1 "[ . 1 +. 2 . 3]"
1 21 VAL 12.223 0.493 16 0 "[ . 1 . 2 . 3]"
1 22 LEU 110.762 0.583 12 1 "[ . 1 + . 2 . 3]"
1 23 PHE 68.351 0.566 9 4 "[ . +1 * - 2 . *3]"
1 24 ASN 2.659 0.212 27 0 "[ . 1 . 2 . 3]"
1 25 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 26 ASN 10.135 0.362 3 0 "[ . 1 . 2 . 3]"
1 27 LYS 11.140 0.362 3 0 "[ . 1 . 2 . 3]"
1 28 ALA 26.305 0.566 9 6 "[ *. +1 * - 2* . *3]"
1 29 THR 0.408 0.162 2 0 "[ . 1 . 2 . 3]"
1 30 LEU 28.619 0.384 13 0 "[ . 1 . 2 . 3]"
1 31 LYS 4.168 0.339 21 0 "[ . 1 . 2 . 3]"
1 32 PRO 9.451 0.227 28 0 "[ . 1 . 2 . 3]"
1 33 GLU 6.972 0.390 8 0 "[ . 1 . 2 . 3]"
1 34 GLY 17.174 0.384 13 0 "[ . 1 . 2 . 3]"
1 35 GLN 12.239 0.442 22 0 "[ . 1 . 2 . 3]"
1 36 ALA 8.417 0.227 28 0 "[ . 1 . 2 . 3]"
1 37 ALA 13.785 0.470 25 0 "[ . 1 . 2 . 3]"
1 38 LEU 34.706 0.396 5 0 "[ . 1 . 2 . 3]"
1 39 ASP 6.022 0.236 17 0 "[ . 1 . 2 . 3]"
1 40 GLN 26.136 0.470 25 0 "[ . 1 . 2 . 3]"
1 41 LEU 14.749 0.449 20 0 "[ . 1 . 2 . 3]"
1 42 TYR 21.097 0.508 17 1 "[ . 1 . + 2 . 3]"
1 43 SER 12.747 0.370 27 0 "[ . 1 . 2 . 3]"
1 44 GLN 11.350 0.394 23 0 "[ . 1 . 2 . 3]"
1 45 LEU 28.413 0.449 20 0 "[ . 1 . 2 . 3]"
1 46 SER 0.471 0.161 26 0 "[ . 1 . 2 . 3]"
1 47 ASN 3.863 0.293 1 0 "[ . 1 . 2 . 3]"
1 48 LEU 18.285 0.462 23 0 "[ . 1 . 2 . 3]"
1 49 ASP 13.776 0.409 3 0 "[ . 1 . 2 . 3]"
1 50 PRO 12.511 0.409 3 0 "[ . 1 . 2 . 3]"
1 51 LYS 26.678 0.528 19 1 "[ . 1 . +2 . 3]"
1 52 ASP 10.718 0.302 17 0 "[ . 1 . 2 . 3]"
1 53 GLY 15.281 0.477 3 0 "[ . 1 . 2 . 3]"
1 54 SER 7.358 0.379 11 0 "[ . 1 . 2 . 3]"
1 55 VAL 13.990 0.375 14 0 "[ . 1 . 2 . 3]"
1 56 VAL 14.438 0.438 14 0 "[ . 1 . 2 . 3]"
1 57 VAL 12.594 0.473 17 0 "[ . 1 . 2 . 3]"
1 58 LEU 5.525 0.360 10 0 "[ . 1 . 2 . 3]"
1 59 GLY 6.739 0.398 26 0 "[ . 1 . 2 . 3]"
1 60 TYR 49.073 0.558 22 2 "[ . - 1 . 2 + . 3]"
1 61 THR 2.020 0.191 7 0 "[ . 1 . 2 . 3]"
1 62 ASP 4.124 0.357 26 0 "[ . 1 . 2 . 3]"
1 63 ARG 1.046 0.196 25 0 "[ . 1 . 2 . 3]"
1 64 ILE 21.852 0.348 11 0 "[ . 1 . 2 . 3]"
1 65 GLY 14.640 0.348 11 0 "[ . 1 . 2 . 3]"
1 66 SER 3.229 0.170 18 0 "[ . 1 . 2 . 3]"
1 67 ASP 5.631 0.236 26 0 "[ . 1 . 2 . 3]"
1 68 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 69 TYR 10.970 0.255 19 0 "[ . 1 . 2 . 3]"
1 70 ASN 0.593 0.148 24 0 "[ . 1 . 2 . 3]"
1 71 GLN 2.498 0.213 21 0 "[ . 1 . 2 . 3]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 73 LEU 5.884 0.270 4 0 "[ . 1 . 2 . 3]"
1 74 SER 0.635 0.125 10 0 "[ . 1 . 2 . 3]"
1 75 GLU 12.936 0.284 2 0 "[ . 1 . 2 . 3]"
1 76 ARG 17.980 0.407 26 0 "[ . 1 . 2 . 3]"
1 77 ARG 18.260 0.518 21 2 "[ -. 1 . 2+ . 3]"
1 78 ALA 9.176 0.292 21 0 "[ . 1 . 2 . 3]"
1 79 GLN 16.973 0.495 28 0 "[ . 1 . 2 . 3]"
1 80 SER 29.145 0.495 28 0 "[ . 1 . 2 . 3]"
1 81 VAL 29.667 0.404 8 0 "[ . 1 . 2 . 3]"
1 82 VAL 11.735 0.278 12 0 "[ . 1 . 2 . 3]"
1 83 ASP 6.077 0.490 22 0 "[ . 1 . 2 . 3]"
1 84 TYR 21.276 0.490 22 0 "[ . 1 . 2 . 3]"
1 85 LEU 59.985 0.508 17 1 "[ . 1 . + 2 . 3]"
1 86 ILE 12.732 0.293 2 0 "[ . 1 . 2 . 3]"
1 87 SER 0.162 0.072 2 0 "[ . 1 . 2 . 3]"
1 88 LYS 4.360 0.320 22 0 "[ . 1 . 2 . 3]"
1 89 GLY 1.686 0.251 16 0 "[ . 1 . 2 . 3]"
1 90 ILE 12.523 0.486 17 0 "[ . 1 . 2 . 3]"
1 91 PRO 6.397 0.545 10 1 "[ . + . 2 . 3]"
1 92 ALA 11.543 0.357 14 0 "[ . 1 . 2 . 3]"
1 93 ASP 13.413 0.355 9 0 "[ . 1 . 2 . 3]"
1 94 LYS 16.647 0.545 10 1 "[ . + . 2 . 3]"
1 95 ILE 25.648 0.435 18 0 "[ . 1 . 2 . 3]"
1 96 SER 0.031 0.018 28 0 "[ . 1 . 2 . 3]"
1 97 ALA 13.153 0.385 24 0 "[ . 1 . 2 . 3]"
1 98 ARG 22.470 0.438 14 0 "[ . 1 . 2 . 3]"
1 99 GLY 4.188 0.276 4 0 "[ . 1 . 2 . 3]"
1 100 MET 16.307 0.409 16 0 "[ . 1 . 2 . 3]"
1 101 GLY 4.436 0.213 21 0 "[ . 1 . 2 . 3]"
1 102 GLU 3.596 0.263 27 0 "[ . 1 . 2 . 3]"
1 103 SER 12.807 0.386 10 0 "[ . 1 . 2 . 3]"
1 104 ASN 11.527 0.386 10 0 "[ . 1 . 2 . 3]"
1 105 PRO 2.689 0.287 29 0 "[ . 1 . 2 . 3]"
1 106 VAL 11.203 0.490 26 0 "[ . 1 . 2 . 3]"
1 107 THR 6.427 0.321 4 0 "[ . 1 . 2 . 3]"
1 108 GLY 0.945 0.174 4 0 "[ . 1 . 2 . 3]"
1 109 ASN 3.338 0.483 7 0 "[ . 1 . 2 . 3]"
1 110 THR 5.559 0.321 4 0 "[ . 1 . 2 . 3]"
1 111 CYS 8.424 0.363 6 0 "[ . 1 . 2 . 3]"
1 112 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 114 VAL 1.789 0.163 30 0 "[ . 1 . 2 . 3]"
1 115 LYS 7.817 0.399 22 0 "[ . 1 . 2 . 3]"
1 116 GLN 9.483 0.452 21 0 "[ . 1 . 2 . 3]"
1 117 ARG 13.476 0.429 24 0 "[ . 1 . 2 . 3]"
1 118 ALA 21.125 0.465 11 0 "[ . 1 . 2 . 3]"
1 119 ALA 6.166 0.342 7 0 "[ . 1 . 2 . 3]"
1 120 LEU 15.637 0.399 22 0 "[ . 1 . 2 . 3]"
1 121 ILE 14.048 0.465 11 0 "[ . 1 . 2 . 3]"
1 122 ASP 16.106 0.445 28 0 "[ . 1 . 2 . 3]"
1 123 CYS 16.520 0.403 16 0 "[ . 1 . 2 . 3]"
1 124 LEU 12.042 0.363 6 0 "[ . 1 . 2 . 3]"
1 125 ALA 0.380 0.133 26 0 "[ . 1 . 2 . 3]"
1 126 PRO 3.470 0.319 24 0 "[ . 1 . 2 . 3]"
1 127 ASP 3.871 0.490 26 0 "[ . 1 . 2 . 3]"
1 128 ARG 5.037 0.357 26 0 "[ . 1 . 2 . 3]"
1 129 ARG 23.074 0.558 22 2 "[ . - 1 . 2 + . 3]"
1 130 VAL 10.289 0.289 15 0 "[ . 1 . 2 . 3]"
1 131 GLU 18.545 0.468 26 0 "[ . 1 . 2 . 3]"
1 132 ILE 28.693 0.479 17 0 "[ . 1 . 2 . 3]"
1 133 GLU 9.977 0.400 23 0 "[ . 1 . 2 . 3]"
1 134 VAL 18.438 0.396 12 0 "[ . 1 . 2 . 3]"
1 135 LYS 21.283 0.477 3 0 "[ . 1 . 2 . 3]"
1 136 GLY 12.186 0.528 19 1 "[ . 1 . +2 . 3]"
1 137 ILE 27.462 0.540 21 4 "[ -. 1 . *2+ . *]"
1 138 LYS 9.654 0.667 12 1 "[ . 1 + . 2 . 3]"
1 139 ASP 5.022 0.667 12 1 "[ . 1 + . 2 . 3]"
1 140 VAL 1.837 0.176 14 0 "[ . 1 . 2 . 3]"
1 141 VAL 0.161 0.076 24 0 "[ . 1 . 2 . 3]"
1 142 THR 0.228 0.080 13 0 "[ . 1 . 2 . 3]"
1 143 GLN 0.033 0.033 8 0 "[ . 1 . 2 . 3]"
1 144 PRO 0.197 0.046 11 0 "[ . 1 . 2 . 3]"
1 145 GLN 0.197 0.046 11 0 "[ . 1 . 2 . 3]"
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 9 GLU HA 1 10 VAL H 3.030 . 3.030 2.620 2.133 3.344 0.314 16 0 "[ . 1 . 2 . 3]" 1
2 1 9 GLU H 1 10 VAL H 4.730 . 4.730 3.957 1.530 4.656 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 10 VAL HA 1 10 VAL MG1 3.160 . 3.160 2.368 2.187 3.197 0.037 25 0 "[ . 1 . 2 . 3]" 1
4 1 10 VAL HA 1 11 GLN H 3.190 . 3.190 2.220 2.132 2.527 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 10 VAL HA 1 136 GLY H 5.500 . 5.500 4.443 3.405 5.299 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 10 VAL HB 1 136 GLY H 5.500 . 5.500 5.406 4.189 5.741 0.241 22 0 "[ . 1 . 2 . 3]" 1
7 1 10 VAL QG 1 11 GLN HA 4.440 . 4.440 3.729 3.286 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 10 VAL QG 1 11 GLN QB 5.210 . 5.210 4.195 3.403 4.640 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 10 VAL QG 1 11 GLN QG 4.770 . 4.770 4.037 3.064 4.959 0.189 7 0 "[ . 1 . 2 . 3]" 1
10 1 10 VAL QG 1 11 GLN H 3.870 . 3.870 2.402 1.722 3.166 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 10 VAL QG 1 135 LYS HB3 4.310 . 4.310 4.113 3.199 4.408 0.098 6 0 "[ . 1 . 2 . 3]" 1
12 1 10 VAL QG 1 135 LYS QD 3.340 . 3.340 2.678 1.914 3.761 0.421 12 0 "[ . 1 . 2 . 3]" 1
13 1 10 VAL QG 1 135 LYS QE 4.550 . 4.550 2.731 2.028 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 10 VAL QG 1 135 LYS QG 3.260 . 3.260 2.127 1.946 3.301 0.041 27 0 "[ . 1 . 2 . 3]" 1
15 1 10 VAL QG 1 136 GLY QA 5.240 . 5.240 2.704 2.142 3.521 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 10 VAL QG 1 136 GLY H 3.740 . 3.740 2.601 1.692 3.218 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 10 VAL MG1 1 135 LYS HA 3.790 . 3.790 3.590 3.115 3.960 0.170 23 0 "[ . 1 . 2 . 3]" 1
18 1 10 VAL H 1 10 VAL HB 3.380 . 3.380 2.638 2.437 2.890 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 10 VAL H 1 10 VAL QG 3.400 . 3.400 2.448 1.769 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 10 VAL H 1 11 GLN H 4.800 . 4.800 4.414 4.204 4.642 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 11 GLN HA 1 11 GLN QE 4.370 . 4.370 3.765 2.439 4.427 0.057 3 0 "[ . 1 . 2 . 3]" 1
22 1 11 GLN HA 1 11 GLN QG 3.230 . 3.230 3.079 2.368 3.442 0.212 6 0 "[ . 1 . 2 . 3]" 1
23 1 11 GLN HA 1 12 THR H 2.930 . 2.930 2.203 2.123 2.335 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 11 GLN QB 1 12 THR H 3.880 . 3.880 3.604 3.064 4.028 0.148 9 0 "[ . 1 . 2 . 3]" 1
25 1 11 GLN QB 1 136 GLY H 5.340 . 5.340 4.472 2.789 5.560 0.220 10 0 "[ . 1 . 2 . 3]" 1
26 1 11 GLN QG 1 12 THR H 4.620 . 4.620 4.406 3.044 4.902 0.282 18 0 "[ . 1 . 2 . 3]" 1
27 1 11 GLN QG 1 136 GLY H 5.340 . 5.340 4.386 2.886 5.392 0.052 22 0 "[ . 1 . 2 . 3]" 1
28 1 11 GLN QG 1 138 LYS H 5.340 . 5.340 5.390 4.844 5.657 0.317 22 0 "[ . 1 . 2 . 3]" 1
29 1 11 GLN H 1 11 GLN QB 3.210 . 3.210 2.793 2.324 3.149 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 11 GLN H 1 11 GLN QG 4.410 . 4.410 2.523 1.781 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 11 GLN H 1 12 THR H 5.320 . 5.320 4.085 3.820 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 11 GLN H 1 135 LYS QG 5.840 . 5.840 4.495 3.886 5.764 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 11 GLN H 1 136 GLY H 5.500 . 5.500 3.200 2.395 3.719 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 11 GLN H 1 137 ILE H 5.500 . 5.500 4.182 3.039 5.671 0.171 6 0 "[ . 1 . 2 . 3]" 1
35 1 12 THR HA 1 12 THR MG 3.150 . 3.150 2.302 2.236 2.359 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 12 THR HA 1 13 LYS QB 5.340 . 5.340 3.984 3.825 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 12 THR HA 1 13 LYS H 3.080 . 3.080 2.230 2.153 2.511 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 12 THR HA 1 135 LYS HA 3.100 . 3.100 2.285 2.050 2.449 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 12 THR HA 1 135 LYS HB3 5.500 . 5.500 4.388 2.546 5.039 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 12 THR HA 1 136 GLY H 3.910 . 3.910 3.679 3.324 4.174 0.264 23 0 "[ . 1 . 2 . 3]" 1
41 1 12 THR HB 1 13 LYS H 4.480 . 4.480 3.964 3.383 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 12 THR HB 1 135 LYS HA 5.500 . 5.500 5.163 4.801 5.327 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 12 THR MG 1 13 LYS HA 3.540 . 3.540 3.641 3.438 3.779 0.239 11 0 "[ . 1 . 2 . 3]" 1
44 1 12 THR MG 1 13 LYS H 3.670 . 3.670 2.351 1.724 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 12 THR MG 1 133 GLU HA 5.500 . 5.500 4.091 3.287 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 12 THR MG 1 133 GLU QG 3.020 . 3.020 2.585 1.887 3.055 0.035 12 0 "[ . 1 . 2 . 3]" 1
47 1 12 THR MG 1 134 VAL H 3.950 . 3.950 3.606 2.996 4.113 0.163 12 0 "[ . 1 . 2 . 3]" 1
48 1 12 THR MG 1 135 LYS HA 3.570 . 3.570 3.393 2.851 3.875 0.305 11 0 "[ . 1 . 2 . 3]" 1
49 1 12 THR H 1 12 THR HB 3.600 . 3.600 2.591 2.428 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 12 THR H 1 12 THR MG 3.990 . 3.990 3.761 3.724 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 12 THR H 1 13 LYS H 4.900 . 4.900 4.586 4.525 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 12 THR H 1 135 LYS HA 5.500 . 5.500 4.656 4.250 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 13 LYS HA 1 13 LYS QE 4.830 . 4.830 4.097 3.399 4.774 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 13 LYS HA 1 13 LYS QG 3.670 . 3.670 2.415 2.193 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 13 LYS HA 1 14 HIS H 3.090 . 3.090 2.254 2.071 2.413 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 13 LYS HA 1 15 PHE QE 5.500 . 5.500 5.557 4.780 5.738 0.238 6 0 "[ . 1 . 2 . 3]" 1
57 1 13 LYS QB 1 14 HIS H 3.680 . 3.680 3.361 2.478 3.952 0.272 13 0 "[ . 1 . 2 . 3]" 1
58 1 13 LYS QB 1 15 PHE QE 3.490 . 3.490 3.192 2.407 3.612 0.122 28 0 "[ . 1 . 2 . 3]" 1
59 1 13 LYS QB 1 15 PHE H 5.510 . 5.510 5.338 4.550 5.948 0.438 18 0 "[ . 1 . 2 . 3]" 1
60 1 13 LYS QB 1 134 VAL HB 4.750 . 4.750 2.513 2.018 3.159 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 13 LYS QB 1 134 VAL H 4.400 . 4.400 3.537 2.727 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 13 LYS QB 1 137 ILE MG 4.170 . 4.170 2.066 1.906 2.202 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 13 LYS QD 1 15 PHE QE 4.760 . 4.760 3.782 2.310 5.001 0.241 24 0 "[ . 1 . 2 . 3]" 1
64 1 13 LYS QD 1 137 ILE MD 5.340 . 5.340 3.753 2.254 5.438 0.098 18 0 "[ . 1 . 2 . 3]" 1
65 1 13 LYS QD 1 137 ILE MG 4.820 . 4.820 3.096 2.034 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 13 LYS QE 1 137 ILE MD 5.340 . 5.340 4.206 2.965 5.548 0.208 18 0 "[ . 1 . 2 . 3]" 1
67 1 13 LYS QG 1 14 HIS H 4.740 . 4.740 2.853 1.731 4.435 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 13 LYS QG 1 15 PHE QE 3.900 . 3.900 3.132 2.170 4.064 0.164 29 0 "[ . 1 . 2 . 3]" 1
69 1 13 LYS QG 1 137 ILE MG 3.280 . 3.280 3.049 1.960 3.820 0.540 21 4 "[ -. 1 . *2+ . *]" 1
70 1 13 LYS H 1 13 LYS QB 3.380 . 3.380 2.582 2.331 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 13 LYS H 1 13 LYS QG 4.290 . 4.290 4.116 3.193 4.345 0.055 9 0 "[ . 1 . 2 . 3]" 1
72 1 13 LYS H 1 14 HIS H 4.560 . 4.560 4.202 3.565 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 13 LYS H 1 133 GLU QG 4.930 . 4.930 4.030 3.481 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 13 LYS H 1 134 VAL HB 5.440 . 5.440 3.591 3.161 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 13 LYS H 1 134 VAL QG 4.100 . 4.100 3.958 3.782 4.370 0.270 28 0 "[ . 1 . 2 . 3]" 1
76 1 13 LYS H 1 134 VAL H 3.010 . 3.010 3.076 2.555 3.327 0.317 21 0 "[ . 1 . 2 . 3]" 1
77 1 13 LYS H 1 135 LYS HA 4.340 . 4.340 3.284 2.779 3.807 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 13 LYS H 1 137 ILE MG 4.040 . 4.040 3.467 3.046 4.076 0.036 28 0 "[ . 1 . 2 . 3]" 1
79 1 14 HIS HA 1 15 PHE QD 5.500 . 5.500 3.773 3.259 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 14 HIS HA 1 15 PHE H 3.140 . 3.140 2.209 2.135 2.327 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 14 HIS HA 1 132 ILE MG 5.500 . 5.500 5.133 4.703 5.536 0.036 9 0 "[ . 1 . 2 . 3]" 1
82 1 14 HIS HA 1 133 GLU HA 4.040 . 4.040 2.604 2.268 3.391 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 14 HIS HA 1 133 GLU QB 5.340 . 5.340 4.422 4.100 4.991 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 14 HIS HA 1 134 VAL H 4.400 . 4.400 3.184 2.581 4.261 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 14 HIS QB 1 15 PHE H 4.080 . 4.080 3.113 2.762 3.445 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 14 HIS H 1 14 HIS QB 3.270 . 3.270 2.736 2.463 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 14 HIS H 1 15 PHE QE 5.500 . 5.500 5.175 4.516 5.881 0.381 27 0 "[ . 1 . 2 . 3]" 1
88 1 14 HIS H 1 15 PHE H 5.080 . 5.080 4.329 4.074 4.552 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 15 PHE HA 1 15 PHE QD 3.740 . 3.740 2.832 2.538 3.009 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 15 PHE HA 1 15 PHE QE 4.700 . 4.700 4.447 4.336 4.509 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 15 PHE HA 1 16 THR MG 3.970 . 3.970 3.400 3.244 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 15 PHE HA 1 16 THR H 3.160 . 3.160 2.100 2.074 2.121 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 15 PHE HA 1 41 LEU MD1 4.970 . 4.970 4.617 4.524 4.725 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 15 PHE HA 1 132 ILE H 5.500 . 5.500 4.935 4.809 5.089 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 15 PHE QB 1 16 THR H 3.710 . 3.710 3.321 3.117 3.473 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 15 PHE QB 1 41 LEU MD1 4.000 . 4.000 2.823 2.572 2.970 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 15 PHE QB 1 41 LEU MD2 4.000 . 4.000 2.329 2.198 2.650 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 15 PHE QB 1 45 LEU MD1 5.280 . 5.280 3.745 3.372 4.106 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 15 PHE QB 1 45 LEU MD2 5.280 . 5.280 4.167 3.804 4.529 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 15 PHE QB 1 132 ILE HB 4.830 . 4.830 2.222 2.070 2.447 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 15 PHE QB 1 132 ILE MD 4.090 . 4.090 3.707 2.914 4.375 0.285 24 0 "[ . 1 . 2 . 3]" 1
102 1 15 PHE QB 1 132 ILE MG 4.720 . 4.720 3.688 3.470 3.901 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 15 PHE QB 1 132 ILE H 5.340 . 5.340 3.243 3.024 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 15 PHE HB3 1 17 LEU MD1 5.500 . 5.500 4.566 4.329 4.692 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 15 PHE HB3 1 17 LEU MD2 5.500 . 5.500 5.111 4.817 5.295 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 15 PHE HB2 1 17 LEU MD1 5.500 . 5.500 5.579 4.348 5.777 0.277 9 0 "[ . 1 . 2 . 3]" 1
107 1 15 PHE HB2 1 17 LEU MD2 5.500 . 5.500 5.565 5.417 5.794 0.294 26 0 "[ . 1 . 2 . 3]" 1
108 1 15 PHE QD 1 16 THR MG 4.800 . 4.800 4.459 4.273 4.690 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 15 PHE QD 1 16 THR H 4.730 . 4.730 3.939 3.719 4.187 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 15 PHE QD 1 17 LEU MD1 5.500 . 5.500 5.402 5.119 5.607 0.107 6 0 "[ . 1 . 2 . 3]" 1
111 1 15 PHE QD 1 45 LEU MD2 3.280 . 3.280 2.711 2.258 3.071 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 15 PHE QD 1 132 ILE HB 4.140 . 4.140 3.118 2.802 3.424 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 15 PHE QD 1 132 ILE MD 5.360 . 5.360 4.884 4.103 5.531 0.171 26 0 "[ . 1 . 2 . 3]" 1
114 1 15 PHE QD 1 132 ILE MG 4.360 . 4.360 3.912 3.459 4.420 0.060 29 0 "[ . 1 . 2 . 3]" 1
115 1 15 PHE QD 1 132 ILE H 5.500 . 5.500 4.995 4.785 5.230 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 15 PHE QD 1 133 GLU HA 5.150 . 5.150 5.016 4.776 5.219 0.069 25 0 "[ . 1 . 2 . 3]" 1
117 1 15 PHE QD 1 134 VAL HB 5.500 . 5.500 4.041 3.725 4.688 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 15 PHE QD 1 134 VAL QG 3.510 . 3.510 2.680 2.236 3.273 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 15 PHE QD 1 134 VAL H 5.500 . 5.500 4.532 3.943 4.994 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 15 PHE QD 1 41 LEU MD1 2.870 . 2.870 2.675 2.553 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 15 PHE QD 1 137 ILE MG 5.500 . 5.500 5.436 5.114 5.675 0.175 26 0 "[ . 1 . 2 . 3]" 1
122 1 15 PHE QE 1 44 GLN QB 5.280 . 5.280 3.973 3.564 4.646 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 15 PHE QE 1 45 LEU HA 5.500 . 5.500 4.925 4.531 5.271 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 15 PHE QE 1 45 LEU MD2 3.450 . 3.450 2.187 2.014 2.442 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 15 PHE QE 1 45 LEU HG 4.710 . 4.710 4.407 3.936 4.745 0.035 24 0 "[ . 1 . 2 . 3]" 1
126 1 15 PHE QE 1 134 VAL HB 5.500 . 5.500 3.625 3.226 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 15 PHE QE 1 134 VAL QG 3.850 . 3.850 2.951 2.277 3.775 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 15 PHE QE 1 41 LEU MD1 3.160 . 3.160 2.912 2.687 3.104 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 15 PHE QE 1 137 ILE MD 2.710 . 2.710 2.926 2.749 3.092 0.382 1 0 "[ . 1 . 2 . 3]" 1
130 1 15 PHE QE 1 137 ILE MG 4.320 . 4.320 3.969 3.735 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 15 PHE H 1 15 PHE QB 3.410 . 3.410 2.445 2.357 2.516 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 15 PHE H 1 15 PHE QD 3.580 . 3.580 2.966 2.615 3.342 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 15 PHE H 1 132 ILE HA 5.300 . 5.300 4.563 4.350 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 15 PHE H 1 132 ILE HB 3.360 . 3.360 3.020 2.818 3.286 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 15 PHE H 1 132 ILE HG12 4.520 . 4.520 4.677 4.376 4.938 0.418 27 0 "[ . 1 . 2 . 3]" 1
136 1 15 PHE H 1 132 ILE H 3.720 . 3.720 3.144 3.010 3.375 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 16 THR HA 1 16 THR MG 3.640 . 3.640 3.180 3.155 3.223 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 16 THR HA 1 17 LEU HB3 5.500 . 5.500 4.841 4.739 5.492 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 16 THR HA 1 17 LEU H 3.180 . 3.180 2.191 2.169 2.228 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 16 THR HA 1 130 VAL H 5.500 . 5.500 5.404 4.578 5.764 0.264 24 0 "[ . 1 . 2 . 3]" 1
141 1 16 THR HA 1 131 GLU HA 3.920 . 3.920 2.945 2.560 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 16 THR HA 1 131 GLU QG 5.340 . 5.340 2.863 2.492 3.372 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 16 THR HB 1 17 LEU H 5.500 . 5.500 4.376 4.296 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 16 THR MG 1 17 LEU HA 4.300 . 4.300 4.314 4.083 4.397 0.097 11 0 "[ . 1 . 2 . 3]" 1
145 1 16 THR MG 1 17 LEU H 4.360 . 4.360 4.275 4.171 4.321 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 16 THR MG 1 131 GLU HA 5.500 . 5.500 5.467 5.223 5.676 0.176 28 0 "[ . 1 . 2 . 3]" 1
147 1 16 THR H 1 16 THR HB 3.760 . 3.760 2.968 2.747 3.060 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 16 THR H 1 16 THR MG 3.830 . 3.830 1.793 1.726 1.864 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 16 THR H 1 17 LEU QD 5.410 . 5.410 5.416 5.341 5.482 0.072 15 0 "[ . 1 . 2 . 3]" 1
150 1 16 THR H 1 17 LEU H 5.500 . 5.500 4.269 4.212 4.352 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 16 THR H 1 131 GLU HA 5.500 . 5.500 5.051 4.761 5.332 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 16 THR H 1 132 ILE H 5.500 . 5.500 5.235 5.055 5.333 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 17 LEU HA 1 17 LEU QD 3.680 . 3.680 2.065 2.023 2.099 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 17 LEU HA 1 18 LYS H 3.350 . 3.350 2.118 2.068 2.186 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 17 LEU HA 1 22 LEU MD1 5.080 . 5.080 5.054 4.882 5.200 0.120 10 0 "[ . 1 . 2 . 3]" 1
156 1 17 LEU HB3 1 17 LEU QD 2.740 . 2.740 2.260 2.115 2.330 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 17 LEU HB3 1 22 LEU MD1 3.690 . 3.690 3.377 2.886 3.493 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 17 LEU HB3 1 22 LEU MD2 5.190 . 5.190 5.213 4.326 5.347 0.157 30 0 "[ . 1 . 2 . 3]" 1
159 1 17 LEU HB3 1 131 GLU HA 5.440 . 5.440 4.738 4.455 5.270 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 17 LEU HB3 1 131 GLU H 5.500 . 5.500 5.536 5.288 5.968 0.468 26 0 "[ . 1 . 2 . 3]" 1
161 1 17 LEU HB3 1 132 ILE MD 4.250 . 4.250 4.001 3.635 4.303 0.053 24 0 "[ . 1 . 2 . 3]" 1
162 1 17 LEU HB3 1 132 ILE HG12 4.160 . 4.160 4.042 3.687 4.283 0.123 9 0 "[ . 1 . 2 . 3]" 1
163 1 17 LEU HB3 1 132 ILE H 5.090 . 5.090 4.698 4.445 5.185 0.095 26 0 "[ . 1 . 2 . 3]" 1
164 1 17 LEU HB2 1 17 LEU QD 3.030 . 3.030 2.090 2.059 2.264 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 17 LEU HB2 1 18 LYS H 4.620 . 4.620 4.271 4.015 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 17 LEU HB2 1 22 LEU MD1 4.150 . 4.150 4.314 4.105 4.379 0.229 2 0 "[ . 1 . 2 . 3]" 1
167 1 17 LEU HB2 1 22 LEU MD2 5.650 . 5.650 5.520 5.403 5.698 0.048 24 0 "[ . 1 . 2 . 3]" 1
168 1 17 LEU QD 1 18 LYS HA 5.440 . 5.440 4.531 4.323 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 17 LEU QD 1 18 LYS H 4.350 . 4.350 2.324 1.882 2.606 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 17 LEU QD 1 22 LEU MD1 3.100 . 3.100 1.891 1.842 2.278 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 17 LEU QD 1 22 LEU MD2 3.600 . 3.600 2.243 2.156 2.749 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 17 LEU QD 1 37 ALA HA 5.440 . 5.440 5.124 4.905 5.272 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 17 LEU QD 1 37 ALA MB 2.990 . 2.990 2.926 2.700 3.050 0.060 29 0 "[ . 1 . 2 . 3]" 1
174 1 17 LEU QD 1 38 LEU HA 4.260 . 4.260 3.654 3.254 4.003 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 17 LEU QD 1 41 LEU MD2 3.420 . 3.420 2.827 2.065 3.081 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 17 LEU QD 1 41 LEU H 5.440 . 5.440 5.464 5.026 5.720 0.280 10 0 "[ . 1 . 2 . 3]" 1
177 1 17 LEU QD 1 132 ILE MD 3.110 . 3.110 2.919 2.324 3.326 0.216 28 0 "[ . 1 . 2 . 3]" 1
178 1 17 LEU MD1 1 22 LEU HB2 5.500 . 5.500 5.668 5.514 5.763 0.263 5 0 "[ . 1 . 2 . 3]" 1
179 1 17 LEU MD2 1 22 LEU HB2 5.500 . 5.500 4.604 4.233 5.329 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 17 LEU H 1 17 LEU HB3 3.410 . 3.410 2.674 2.588 3.322 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 17 LEU H 1 18 LYS H 5.150 . 5.150 4.402 4.328 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 17 LEU H 1 22 LEU MD1 5.440 . 5.440 5.607 5.475 5.733 0.293 24 0 "[ . 1 . 2 . 3]" 1
183 1 17 LEU H 1 41 LEU MD2 5.440 . 5.440 5.359 5.162 5.480 0.040 24 0 "[ . 1 . 2 . 3]" 1
184 1 17 LEU H 1 130 VAL H 3.900 . 3.900 3.801 3.104 4.068 0.168 24 0 "[ . 1 . 2 . 3]" 1
185 1 17 LEU H 1 131 GLU HA 3.950 . 3.950 3.103 2.809 3.515 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 17 LEU H 1 131 GLU QG 5.340 . 5.340 3.751 3.450 4.316 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 17 LEU H 1 131 GLU H 5.500 . 5.500 4.980 4.779 5.224 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 18 LYS HA 1 18 LYS QG 3.560 . 3.560 2.529 2.162 3.411 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 18 LYS HA 1 19 SER H 3.390 . 3.390 2.136 2.103 2.182 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 18 LYS HA 1 20 ASP H 4.370 . 4.370 3.712 3.522 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 18 LYS HA 1 129 ARG HA 5.500 . 5.500 2.939 2.598 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 18 LYS HA 1 130 VAL H 4.330 . 4.330 3.855 3.451 4.176 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 18 LYS QB 1 20 ASP H 3.860 . 3.860 3.168 2.202 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 18 LYS QB 1 21 VAL H 4.710 . 4.710 2.677 2.099 3.672 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 18 LYS QG 1 19 SER H 4.940 . 4.940 3.130 2.387 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 18 LYS QG 1 20 ASP H 3.580 . 3.580 2.466 1.763 4.143 0.563 14 1 "[ . 1 +. 2 . 3]" 1
197 1 18 LYS QG 1 21 VAL QG 4.960 . 4.960 3.014 1.906 3.711 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 18 LYS QG 1 22 LEU H 5.340 . 5.340 4.856 4.028 5.923 0.583 12 1 "[ . 1 + . 2 . 3]" 1
199 1 18 LYS H 1 18 LYS HB2 3.200 . 3.200 2.653 2.106 3.560 0.360 26 0 "[ . 1 . 2 . 3]" 1
200 1 18 LYS H 1 18 LYS QG 3.800 . 3.800 3.422 1.636 4.089 0.289 18 0 "[ . 1 . 2 . 3]" 1
201 1 18 LYS H 1 19 SER H 4.750 . 4.750 4.538 4.497 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 18 LYS H 1 22 LEU MD1 5.440 . 5.440 4.909 4.316 5.130 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 18 LYS H 1 130 VAL H 5.060 . 5.060 5.056 4.792 5.224 0.164 13 0 "[ . 1 . 2 . 3]" 1
204 1 19 SER HA 1 22 LEU HB3 5.500 . 5.500 4.363 4.009 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 19 SER HA 1 22 LEU MD1 3.920 . 3.920 3.275 2.892 3.456 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 19 SER HA 1 22 LEU MD2 4.920 . 4.920 4.872 4.533 5.075 0.155 18 0 "[ . 1 . 2 . 3]" 1
207 1 19 SER HA 1 22 LEU H 4.980 . 4.980 3.112 2.900 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 19 SER HA 1 23 PHE H 5.500 . 5.500 3.065 2.646 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 19 SER QB 1 23 PHE H 5.340 . 5.340 3.775 2.914 4.798 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 19 SER HB3 1 20 ASP H 5.340 . 5.340 3.583 2.601 4.198 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 19 SER HB2 1 20 ASP H 5.340 . 5.340 3.718 2.731 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 19 SER H 1 19 SER QB 3.130 . 3.130 2.334 2.078 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 19 SER H 1 20 ASP H 3.670 . 3.670 2.619 2.476 2.680 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 19 SER H 1 128 ARG HB3 5.500 . 5.500 4.768 4.152 5.680 0.180 27 0 "[ . 1 . 2 . 3]" 1
215 1 19 SER H 1 128 ARG HB2 5.500 . 5.500 4.297 3.957 4.515 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 19 SER H 1 129 ARG HA 3.470 . 3.470 2.168 1.723 2.468 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 19 SER H 1 129 ARG H 5.470 . 5.470 4.474 4.015 4.707 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 19 SER H 1 130 VAL H 3.970 . 3.970 3.807 3.108 4.246 0.276 23 0 "[ . 1 . 2 . 3]" 1
219 1 20 ASP HA 1 23 PHE H 5.500 . 5.500 4.624 4.298 4.909 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 20 ASP QB 1 21 VAL H 4.270 . 4.270 2.631 2.338 3.482 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 20 ASP QB 1 22 LEU H 5.340 . 5.340 4.716 4.378 5.242 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 20 ASP H 1 20 ASP QB 3.350 . 3.350 2.286 2.190 2.687 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 20 ASP H 1 21 VAL H 3.910 . 3.910 2.718 2.606 2.941 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 20 ASP H 1 129 ARG HA 5.500 . 5.500 4.742 4.148 5.085 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 21 VAL HA 1 21 VAL MG1 3.650 . 3.650 2.353 2.274 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 21 VAL HA 1 21 VAL MG2 3.650 . 3.650 2.471 2.291 3.207 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 21 VAL HB 1 22 LEU MD2 5.440 . 5.440 3.526 2.954 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 21 VAL HB 1 22 LEU H 4.170 . 4.170 2.683 2.195 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 21 VAL MG1 1 33 GLU HA 5.440 . 5.440 4.948 4.169 5.554 0.114 6 0 "[ . 1 . 2 . 3]" 1
230 1 21 VAL MG1 1 34 GLY H 5.440 . 5.440 4.097 3.293 5.419 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 21 VAL MG1 1 37 ALA MB 4.120 . 4.120 3.126 2.719 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 17 LEU MD1 1 21 VAL MG2 3.500 . 3.500 3.455 2.465 3.802 0.302 24 0 "[ . 1 . 2 . 3]" 1
233 1 21 VAL MG2 1 22 LEU H 3.440 . 3.440 3.633 1.860 3.933 0.493 16 0 "[ . 1 . 2 . 3]" 1
234 1 21 VAL H 1 21 VAL HB 3.360 . 3.360 2.570 2.278 3.581 0.221 26 0 "[ . 1 . 2 . 3]" 1
235 1 21 VAL H 1 21 VAL MG1 4.230 . 4.230 3.613 2.204 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 21 VAL H 1 21 VAL MG2 3.230 . 3.230 2.110 1.752 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 21 VAL H 1 23 PHE H 5.500 . 5.500 4.887 4.722 5.070 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 22 LEU HA 1 22 LEU MD1 3.810 . 3.810 3.842 3.755 3.905 0.095 15 0 "[ . 1 . 2 . 3]" 1
239 1 22 LEU HA 1 22 LEU MD2 3.310 . 3.310 2.064 2.022 2.090 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 22 LEU HA 1 31 LYS H 5.500 . 5.500 2.895 2.476 3.326 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 22 LEU HB3 1 23 PHE HD1 4.400 . 4.400 4.633 3.196 4.819 0.419 9 0 "[ . 1 . 2 . 3]" 1
242 1 22 LEU HB3 1 23 PHE HD2 4.400 . 4.400 3.152 2.837 4.637 0.237 28 0 "[ . 1 . 2 . 3]" 1
243 1 22 LEU HB3 1 23 PHE H 4.320 . 4.320 2.819 2.710 2.906 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 22 LEU HB3 1 30 LEU MD2 4.590 . 4.590 2.237 2.109 2.385 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 22 LEU HB2 1 22 LEU MD1 2.920 . 2.920 2.374 2.230 2.470 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 22 LEU HB2 1 22 LEU MD2 2.920 . 2.920 3.201 3.181 3.216 0.296 15 0 "[ . 1 . 2 . 3]" 1
247 1 22 LEU HB2 1 23 PHE HD1 3.830 . 3.830 3.802 3.590 3.991 0.161 23 0 "[ . 1 . 2 . 3]" 1
248 1 22 LEU HB2 1 23 PHE HD2 3.830 . 3.830 3.948 3.705 4.054 0.224 15 0 "[ . 1 . 2 . 3]" 1
249 1 22 LEU HB2 1 23 PHE HE1 3.740 . 3.740 3.819 3.547 4.065 0.325 28 0 "[ . 1 . 2 . 3]" 1
250 1 22 LEU HB2 1 23 PHE HE2 3.740 . 3.740 3.950 3.793 4.018 0.278 4 0 "[ . 1 . 2 . 3]" 1
251 1 22 LEU HB2 1 23 PHE H 3.780 . 3.780 1.803 1.702 1.869 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 22 LEU MD1 1 23 PHE HA 5.940 . 5.940 6.060 5.926 6.121 0.181 24 0 "[ . 1 . 2 . 3]" 1
253 1 22 LEU MD1 1 23 PHE QE 4.000 . 4.000 2.963 2.788 3.088 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 22 LEU MD1 1 23 PHE H 5.120 . 5.120 3.862 3.770 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 22 LEU MD1 1 34 GLY HA3 5.200 . 5.200 5.056 4.874 5.200 0.000 18 0 "[ . 1 . 2 . 3]" 1
256 1 22 LEU MD1 1 38 LEU HA 5.380 . 5.380 5.507 5.411 5.608 0.228 18 0 "[ . 1 . 2 . 3]" 1
257 1 22 LEU MD1 1 38 LEU QD 3.370 . 3.370 2.319 2.193 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 22 LEU MD1 1 81 VAL HA 5.440 . 5.440 4.011 3.738 4.214 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 22 LEU MD1 1 81 VAL HB 5.500 . 5.500 4.767 4.571 4.940 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 22 LEU MD1 1 81 VAL MG2 3.120 . 3.120 2.244 2.095 2.386 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 22 LEU MD1 1 81 VAL H 4.880 . 4.880 5.030 4.840 5.186 0.306 8 0 "[ . 1 . 2 . 3]" 1
262 1 22 LEU MD1 1 130 VAL HB 4.920 . 4.920 4.515 3.809 5.009 0.089 23 0 "[ . 1 . 2 . 3]" 1
263 1 22 LEU MD1 1 130 VAL QG 3.730 . 3.730 2.250 1.924 2.561 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 22 LEU MD1 1 130 VAL H 5.440 . 5.440 4.348 4.058 4.992 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 22 LEU MD2 1 23 PHE HA 5.440 . 5.440 5.695 5.619 5.750 0.310 26 0 "[ . 1 . 2 . 3]" 1
266 1 22 LEU MD2 1 23 PHE H 5.120 . 5.120 4.300 4.209 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 22 LEU MD2 1 30 LEU HA 5.440 . 5.440 3.307 2.882 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 22 LEU MD2 1 30 LEU MD1 3.570 . 3.570 3.488 2.956 3.796 0.226 25 0 "[ . 1 . 2 . 3]" 1
269 1 22 LEU MD2 1 30 LEU MD2 3.570 . 3.570 2.088 1.959 2.208 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 22 LEU MD2 1 30 LEU HG 4.470 . 4.470 4.600 4.395 4.804 0.334 26 0 "[ . 1 . 2 . 3]" 1
271 1 22 LEU MD2 1 31 LYS H 5.440 . 5.440 3.552 3.146 3.981 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 22 LEU MD2 1 34 GLY HA3 3.700 . 3.700 2.432 2.213 2.609 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 22 LEU MD2 1 34 GLY H 5.440 . 5.440 4.290 4.084 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 22 LEU MD2 1 35 GLN HA 5.440 . 5.440 4.283 4.028 4.531 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 22 LEU MD2 1 35 GLN H 5.280 . 5.280 4.254 4.016 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 22 LEU MD2 1 36 ALA H 5.440 . 5.440 5.535 5.426 5.619 0.179 18 0 "[ . 1 . 2 . 3]" 1
277 1 22 LEU MD2 1 37 ALA MB 3.980 . 3.980 3.680 3.405 3.914 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 22 LEU MD2 1 37 ALA H 6.000 . 6.000 4.953 4.792 5.093 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 22 LEU MD2 1 38 LEU HA 4.380 . 4.380 4.664 4.437 4.776 0.396 5 0 "[ . 1 . 2 . 3]" 1
280 1 22 LEU MD2 1 38 LEU HB3 4.790 . 4.790 4.813 4.596 5.096 0.306 17 0 "[ . 1 . 2 . 3]" 1
281 1 22 LEU MD2 1 38 LEU QD 2.870 . 2.870 1.959 1.836 2.048 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 22 LEU MD2 1 81 VAL MG2 4.120 . 4.120 3.926 3.482 4.142 0.022 14 0 "[ . 1 . 2 . 3]" 1
283 1 22 LEU HG 1 34 GLY HA3 5.500 . 5.500 4.819 4.552 5.052 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 22 LEU HG 1 34 GLY HA2 5.500 . 5.500 4.475 4.163 4.630 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 22 LEU H 1 22 LEU MD1 4.400 . 4.400 3.678 3.464 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 22 LEU H 1 22 LEU MD2 3.900 . 3.900 3.271 2.909 3.646 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 22 LEU H 1 23 PHE QD 4.750 . 4.750 5.050 4.875 5.169 0.419 28 0 "[ . 1 . 2 . 3]" 1
288 1 22 LEU H 1 23 PHE H 3.750 . 3.750 2.950 2.882 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 23 PHE HA 1 30 LEU HA 5.500 . 5.500 4.884 4.427 5.180 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 23 PHE HA 1 30 LEU MD2 5.710 . 5.710 5.275 4.781 5.663 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 23 PHE HA 1 31 LYS H 4.900 . 4.900 4.978 4.850 5.130 0.230 28 0 "[ . 1 . 2 . 3]" 1
292 1 23 PHE HB3 1 30 LEU MD2 5.440 . 5.440 4.628 4.154 5.604 0.164 28 0 "[ . 1 . 2 . 3]" 1
293 1 23 PHE HB2 1 28 ALA HA 5.370 . 5.370 2.942 2.556 3.713 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 23 PHE QD 1 24 ASN H 4.640 . 4.640 4.711 4.460 4.852 0.212 27 0 "[ . 1 . 2 . 3]" 1
295 1 23 PHE QD 1 28 ALA HA 4.980 . 4.980 2.869 2.664 3.084 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 23 PHE QD 1 30 LEU MD2 4.320 . 4.320 2.596 2.204 3.374 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 23 PHE QD 1 77 ARG HA 5.500 . 5.500 4.746 4.480 5.100 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 23 PHE QD 1 130 VAL MG1 4.930 . 4.930 4.899 4.484 5.103 0.173 30 0 "[ . 1 . 2 . 3]" 1
299 1 23 PHE HD1 1 28 ALA MB 4.470 . 4.470 4.504 3.905 4.651 0.181 26 0 "[ . 1 . 2 . 3]" 1
300 1 23 PHE HD2 1 28 ALA MB 4.470 . 4.470 3.837 3.477 4.509 0.039 28 0 "[ . 1 . 2 . 3]" 1
301 1 23 PHE QE 1 28 ALA HA 4.800 . 4.800 3.801 3.515 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 23 PHE QE 1 30 LEU MD2 4.730 . 4.730 2.034 1.980 2.194 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 23 PHE QE 1 77 ARG HA 4.540 . 4.540 3.602 3.328 3.978 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 23 PHE QE 1 80 SER QB 4.120 . 4.120 2.967 2.231 3.313 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 23 PHE QE 1 80 SER H 5.500 . 5.500 5.239 4.799 5.535 0.035 8 0 "[ . 1 . 2 . 3]" 1
306 1 23 PHE QE 1 81 VAL HA 5.500 . 5.500 4.285 3.930 4.667 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 23 PHE QE 1 81 VAL MG2 3.710 . 3.710 2.865 2.543 3.108 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 23 PHE QE 1 130 VAL QG 4.980 . 4.980 3.081 2.722 3.458 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 23 PHE HE1 1 28 ALA MB 4.010 . 4.010 4.378 3.602 4.576 0.566 9 4 "[ . +1 * - 2 . *3]" 1
310 1 23 PHE HE2 1 28 ALA MB 4.010 . 4.010 3.602 3.309 4.388 0.378 28 0 "[ . 1 . 2 . 3]" 1
311 1 23 PHE H 1 23 PHE HB3 3.780 . 3.780 3.608 3.541 3.693 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 23 PHE H 1 23 PHE HB2 4.020 . 4.020 3.507 3.075 3.648 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 23 PHE H 1 23 PHE QD 3.910 . 3.910 2.757 2.543 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 23 PHE H 1 24 ASN H 5.500 . 5.500 4.308 3.980 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 23 PHE H 1 31 LYS H 5.500 . 5.500 5.461 5.214 5.665 0.165 19 0 "[ . 1 . 2 . 3]" 1
316 1 23 PHE HZ 1 77 ARG HA 4.990 . 4.990 3.302 2.843 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 23 PHE HZ 1 78 ALA HA 4.970 . 4.970 4.955 4.556 5.178 0.208 8 0 "[ . 1 . 2 . 3]" 1
318 1 23 PHE HZ 1 80 SER QB 4.230 . 4.230 3.799 3.022 4.467 0.237 4 0 "[ . 1 . 2 . 3]" 1
319 1 23 PHE HZ 1 80 SER H 5.500 . 5.500 5.387 4.917 5.592 0.092 10 0 "[ . 1 . 2 . 3]" 1
320 1 23 PHE HZ 1 81 VAL HA 5.500 . 5.500 4.795 4.192 5.178 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 23 PHE HZ 1 81 VAL MG2 3.690 . 3.690 2.221 2.031 2.512 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 23 PHE HZ 1 81 VAL H 4.440 . 4.440 4.160 3.627 4.459 0.019 20 0 "[ . 1 . 2 . 3]" 1
323 1 24 ASN H 1 24 ASN QB 3.630 . 3.630 2.507 2.243 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 25 PHE QB 1 26 ASN H 4.050 . 4.050 3.110 2.650 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 25 PHE H 1 25 PHE QB 3.110 . 3.110 2.481 2.153 3.001 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 25 PHE H 1 26 ASN QB 4.820 . 4.820 4.120 3.686 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 25 PHE H 1 26 ASN H 3.420 . 3.420 2.141 1.879 2.472 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 26 ASN QB 1 26 ASN QD 3.040 . 3.040 2.322 2.177 2.750 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 26 ASN HB3 1 27 LYS H 5.500 . 5.500 2.812 2.260 3.741 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 26 ASN HB3 1 29 THR MG 5.500 . 5.500 3.441 2.137 5.143 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 26 ASN HB2 1 27 LYS H 5.500 . 5.500 3.501 2.240 3.878 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 26 ASN HB2 1 29 THR MG 5.500 . 5.500 3.942 2.259 5.379 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 26 ASN H 1 26 ASN QB 3.640 . 3.640 2.369 2.196 2.710 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 26 ASN H 1 27 LYS H 4.230 . 4.230 4.568 4.540 4.592 0.362 3 0 "[ . 1 . 2 . 3]" 1
335 1 27 LYS HA 1 73 LEU MD2 3.410 . 3.410 3.271 2.772 3.680 0.270 4 0 "[ . 1 . 2 . 3]" 1
336 1 27 LYS QB 1 28 ALA MB 4.490 . 4.490 3.214 3.070 3.522 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 27 LYS QB 1 29 THR MG 4.760 . 4.760 3.430 2.734 4.922 0.162 2 0 "[ . 1 . 2 . 3]" 1
338 1 27 LYS QB 1 73 LEU MD2 4.190 . 4.190 3.812 3.101 4.392 0.202 13 0 "[ . 1 . 2 . 3]" 1
339 1 27 LYS H 1 27 LYS QB 3.280 . 3.280 2.469 2.137 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 27 LYS H 1 27 LYS HD3 5.500 . 5.500 4.314 1.896 5.072 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 27 LYS H 1 27 LYS HD2 5.500 . 5.500 4.131 2.014 4.860 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 27 LYS H 1 28 ALA H 5.500 . 5.500 3.208 2.842 3.488 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 27 LYS H 1 29 THR MG 5.500 . 5.500 3.900 3.268 5.593 0.093 2 0 "[ . 1 . 2 . 3]" 1
344 1 28 ALA HA 1 77 ARG HA 5.500 . 5.500 4.016 3.839 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 28 ALA HA 1 77 ARG H 5.490 . 5.490 5.770 5.548 6.008 0.518 21 2 "[ -. 1 . 2+ . 3]" 1
346 1 28 ALA MB 1 29 THR HA 4.280 . 4.280 4.178 3.969 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 28 ALA MB 1 29 THR H 5.010 . 5.010 3.599 3.200 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 28 ALA MB 1 76 ARG HA 5.280 . 5.280 4.219 3.858 4.741 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 28 ALA MB 1 76 ARG HB2 3.670 . 3.670 3.704 3.360 4.077 0.407 26 0 "[ . 1 . 2 . 3]" 1
350 1 28 ALA MB 1 76 ARG QD 4.780 . 4.780 3.786 2.264 4.801 0.021 10 0 "[ . 1 . 2 . 3]" 1
351 1 28 ALA MB 1 76 ARG QG 4.510 . 4.510 3.484 1.966 4.620 0.110 1 0 "[ . 1 . 2 . 3]" 1
352 1 28 ALA MB 1 77 ARG HA 4.150 . 4.150 2.123 2.032 2.280 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 29 THR HA 1 29 THR HB 2.810 . 2.810 2.461 2.330 2.964 0.154 2 0 "[ . 1 . 2 . 3]" 1
354 1 29 THR HA 1 29 THR MG 3.240 . 3.240 2.561 2.201 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 29 THR HA 1 30 LEU H 3.140 . 3.140 2.179 2.141 2.237 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 29 THR MG 1 30 LEU H 4.280 . 4.280 3.921 2.709 4.244 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 29 THR H 1 29 THR HB 3.890 . 3.890 3.466 2.374 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 29 THR H 1 29 THR MG 3.690 . 3.690 2.304 1.786 3.477 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 29 THR H 1 30 LEU H 5.060 . 5.060 4.510 4.420 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 30 LEU HA 1 30 LEU MD1 4.470 . 4.470 3.819 3.723 3.908 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 30 LEU HA 1 30 LEU MD2 3.970 . 3.970 2.123 2.036 2.187 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 30 LEU HA 1 31 LYS H 3.330 . 3.330 2.162 2.108 2.237 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 30 LEU QB 1 31 LYS H 4.380 . 4.380 3.009 2.800 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 30 LEU QB 1 35 GLN QE 4.110 . 4.110 2.551 1.890 3.480 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 30 LEU MD1 1 34 GLY HA3 5.020 . 5.020 4.867 4.699 5.013 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 30 LEU MD1 1 34 GLY HA2 5.500 . 5.500 5.713 5.479 5.884 0.384 13 0 "[ . 1 . 2 . 3]" 1
367 1 30 LEU MD1 1 35 GLN HA 5.500 . 5.500 3.346 3.084 3.567 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 30 LEU MD1 1 35 GLN QE 4.110 . 4.110 3.310 2.842 3.963 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 30 LEU MD1 1 35 GLN H 5.440 . 5.440 4.684 4.526 4.866 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 30 LEU MD1 1 38 LEU MD1 3.380 . 3.380 2.502 1.970 3.651 0.271 10 0 "[ . 1 . 2 . 3]" 1
371 1 30 LEU MD1 1 81 VAL HA 5.440 . 5.440 2.888 2.685 3.012 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 30 LEU MD1 1 81 VAL HB 5.440 . 5.440 5.544 5.327 5.662 0.222 26 0 "[ . 1 . 2 . 3]" 1
373 1 30 LEU MD1 1 81 VAL MG2 4.980 . 4.980 3.990 3.746 4.122 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 30 LEU MD1 1 81 VAL H 5.440 . 5.440 4.767 4.583 4.935 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 30 LEU MD1 1 84 TYR HA 5.280 . 5.280 3.979 3.932 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 30 LEU MD1 1 84 TYR HB3 4.440 . 4.440 2.239 2.143 2.375 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 30 LEU MD1 1 84 TYR HB2 4.390 . 4.390 2.040 1.992 2.087 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 30 LEU MD1 1 84 TYR HD1 3.000 . 3.000 2.951 2.831 3.067 0.067 21 0 "[ . 1 . 2 . 3]" 1
379 1 30 LEU MD1 1 84 TYR HD2 3.000 . 3.000 3.034 2.910 3.135 0.135 28 0 "[ . 1 . 2 . 3]" 1
380 1 30 LEU MD1 1 84 TYR HE1 4.000 . 4.000 4.122 3.943 4.264 0.264 23 0 "[ . 1 . 2 . 3]" 1
381 1 30 LEU MD1 1 84 TYR HE2 4.000 . 4.000 4.086 3.867 4.207 0.207 28 0 "[ . 1 . 2 . 3]" 1
382 1 30 LEU MD1 1 84 TYR H 4.830 . 4.830 3.621 3.459 3.770 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 30 LEU MD2 1 31 LYS H 4.880 . 4.880 3.649 3.013 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 30 LEU MD2 1 35 GLN HA 5.500 . 5.500 4.543 3.839 5.193 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 30 LEU MD2 1 80 SER HA 5.120 . 5.120 5.016 4.472 5.490 0.370 27 0 "[ . 1 . 2 . 3]" 1
386 1 30 LEU MD2 1 80 SER QB 4.850 . 4.850 3.409 2.709 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 30 LEU MD2 1 81 VAL HA 5.440 . 5.440 2.927 2.707 3.345 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 30 LEU MD2 1 81 VAL HB 5.440 . 5.440 5.103 4.852 5.532 0.092 27 0 "[ . 1 . 2 . 3]" 1
389 1 30 LEU MD2 1 81 VAL MG2 3.980 . 3.980 2.930 2.648 3.182 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 30 LEU MD2 1 81 VAL H 5.440 . 5.440 4.247 3.960 4.814 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 30 LEU MD2 1 84 TYR HB3 5.440 . 5.440 4.066 3.861 4.419 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 30 LEU MD2 1 84 TYR HB2 5.390 . 5.390 4.179 4.008 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 30 LEU HG 1 31 LYS H 5.370 . 5.370 5.070 4.808 5.298 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 30 LEU HG 1 38 LEU QD 5.100 . 5.100 4.427 3.963 5.328 0.228 14 0 "[ . 1 . 2 . 3]" 1
395 1 30 LEU HG 1 80 SER QB 5.340 . 5.340 3.843 2.986 4.724 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 30 LEU HG 1 81 VAL MG2 5.280 . 5.280 5.014 4.650 5.341 0.061 5 0 "[ . 1 . 2 . 3]" 1
397 1 30 LEU H 1 30 LEU QB 3.100 . 3.100 2.523 2.269 2.649 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 30 LEU H 1 30 LEU MD1 4.290 . 4.290 3.535 3.361 3.799 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 30 LEU H 1 30 LEU MD2 3.790 . 3.790 3.117 2.444 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 30 LEU H 1 30 LEU HG 4.600 . 4.600 2.100 1.829 2.771 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 30 LEU H 1 31 LYS H 5.500 . 5.500 4.562 4.491 4.615 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 31 LYS HA 1 33 GLU H 5.500 . 5.500 5.222 5.144 5.308 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 31 LYS QB 1 34 GLY H 3.530 . 3.530 3.169 3.006 3.869 0.339 21 0 "[ . 1 . 2 . 3]" 1
404 1 31 LYS H 1 31 LYS QB 3.530 . 3.530 2.247 2.122 2.997 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 31 LYS H 1 31 LYS QG 4.010 . 4.010 3.115 1.748 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 31 LYS H 1 32 PRO QD 4.590 . 4.590 4.399 4.375 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 31 LYS H 1 34 GLY H 5.500 . 5.500 3.748 3.651 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 32 PRO HA 1 35 GLN H 3.680 . 3.680 3.536 3.422 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 32 PRO HB3 1 33 GLU HA 4.620 . 4.620 4.770 4.732 4.797 0.177 8 0 "[ . 1 . 2 . 3]" 1
410 1 32 PRO HB3 1 33 GLU H 4.170 . 4.170 3.238 3.203 3.280 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 32 PRO HB3 1 35 GLN H 5.500 . 5.500 5.540 5.417 5.598 0.098 13 0 "[ . 1 . 2 . 3]" 1
412 1 32 PRO HB3 1 36 ALA H 5.390 . 5.390 5.510 5.415 5.617 0.227 28 0 "[ . 1 . 2 . 3]" 1
413 1 32 PRO QD 1 33 GLU H 3.950 . 3.950 3.719 3.599 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 33 GLU HA 1 36 ALA MB 3.800 . 3.800 2.410 2.271 2.530 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 33 GLU QB 1 34 GLY H 3.390 . 3.390 3.103 2.866 3.610 0.220 13 0 "[ . 1 . 2 . 3]" 1
416 1 33 GLU QB 1 37 ALA H 5.340 . 5.340 4.667 4.470 5.141 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 33 GLU QG 1 34 GLY H 5.150 . 5.150 3.885 2.242 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 33 GLU H 1 33 GLU QB 3.270 . 3.270 2.448 2.185 2.608 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 33 GLU H 1 33 GLU QG 3.510 . 3.510 2.364 1.770 3.900 0.390 8 0 "[ . 1 . 2 . 3]" 1
420 1 33 GLU H 1 34 GLY H 4.340 . 4.340 2.764 2.720 2.813 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 33 GLU H 1 36 ALA MB 5.180 . 5.180 4.449 4.372 4.552 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 34 GLY HA3 1 37 ALA MB 5.500 . 5.500 4.640 4.425 4.775 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 34 GLY HA3 1 37 ALA H 4.680 . 4.680 4.905 4.817 4.965 0.285 13 0 "[ . 1 . 2 . 3]" 1
424 1 34 GLY HA3 1 38 LEU H 5.440 . 5.440 5.059 4.964 5.140 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 34 GLY HA2 1 37 ALA MB 4.260 . 4.260 3.220 2.978 3.385 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 34 GLY HA2 1 37 ALA H 5.990 . 5.990 3.750 3.596 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 34 GLY HA2 1 38 LEU H 4.530 . 4.530 4.194 4.033 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 34 GLY H 1 35 GLN H 3.000 . 3.000 2.587 2.511 2.663 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 34 GLY H 1 38 LEU QD 5.440 . 5.440 5.446 5.210 5.740 0.300 21 0 "[ . 1 . 2 . 3]" 1
430 1 35 GLN HA 1 38 LEU QD 4.620 . 4.620 2.972 2.567 3.686 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 35 GLN HA 1 38 LEU H 4.260 . 4.260 3.444 3.310 3.552 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 35 GLN HA 1 39 ASP H 4.490 . 4.490 4.288 4.151 4.399 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 35 GLN HA 1 84 TYR HD1 5.500 . 5.500 5.786 5.625 5.942 0.442 22 0 "[ . 1 . 2 . 3]" 1
434 1 35 GLN HA 1 84 TYR HD2 5.500 . 5.500 4.009 3.589 4.301 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 35 GLN HB2 1 36 ALA MB 4.720 . 4.720 4.166 4.050 4.254 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 35 GLN HB2 1 36 ALA H 3.330 . 3.330 2.665 2.576 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 35 GLN QG 1 38 LEU QD 5.280 . 5.280 3.714 3.268 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 35 GLN QG 1 84 TYR HD1 4.500 . 4.500 3.869 3.658 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 35 GLN QG 1 84 TYR HD2 4.500 . 4.500 4.110 3.674 4.378 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 35 GLN H 1 35 GLN HB2 3.190 . 3.190 2.250 2.204 2.309 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 35 GLN H 1 35 GLN QG 3.590 . 3.590 2.418 2.308 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 35 GLN H 1 36 ALA MB 4.960 . 4.960 4.225 4.165 4.303 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 35 GLN H 1 38 LEU QD 4.520 . 4.520 4.296 3.921 4.842 0.322 10 0 "[ . 1 . 2 . 3]" 1
444 1 36 ALA HA 1 39 ASP HB3 4.370 . 4.370 3.922 3.140 4.550 0.180 8 0 "[ . 1 . 2 . 3]" 1
445 1 36 ALA HA 1 39 ASP HB2 4.280 . 4.280 3.098 2.800 3.308 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 36 ALA HA 1 39 ASP H 4.000 . 4.000 3.493 3.361 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 36 ALA MB 1 37 ALA H 2.950 . 2.950 2.305 2.137 2.421 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 36 ALA MB 1 39 ASP HB2 4.710 . 4.710 4.498 4.187 4.781 0.071 13 0 "[ . 1 . 2 . 3]" 1
449 1 36 ALA MB 1 40 GLN QE 5.500 . 5.500 3.738 2.909 5.464 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 36 ALA MB 1 40 GLN H 5.210 . 5.210 4.830 4.724 4.900 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 36 ALA H 1 36 ALA MB 3.000 . 3.000 2.228 2.185 2.249 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 36 ALA H 1 37 ALA H 3.150 . 3.150 2.927 2.850 3.054 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 37 ALA HA 1 40 GLN QB 3.650 . 3.650 3.536 3.232 4.120 0.470 25 0 "[ . 1 . 2 . 3]" 1
454 1 37 ALA HA 1 40 GLN QE 4.880 . 4.880 2.949 2.195 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 37 ALA MB 1 38 LEU QD 4.340 . 4.340 3.774 2.975 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 37 ALA MB 1 38 LEU H 3.180 . 3.180 2.627 2.541 2.813 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 37 ALA MB 1 40 GLN QE 5.500 . 5.500 3.853 2.688 4.927 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 37 ALA MB 1 40 GLN H 5.500 . 5.500 4.653 4.555 4.801 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 37 ALA MB 1 41 LEU H 5.360 . 5.360 4.450 4.289 4.568 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 37 ALA H 1 37 ALA MB 3.130 . 3.130 2.197 2.171 2.222 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 37 ALA H 1 38 LEU HB3 5.850 . 5.850 5.933 5.746 6.016 0.166 25 0 "[ . 1 . 2 . 3]" 1
462 1 37 ALA H 1 38 LEU H 3.560 . 3.560 2.606 2.559 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 37 ALA H 1 39 ASP HB2 5.500 . 5.500 5.415 5.102 5.674 0.174 21 0 "[ . 1 . 2 . 3]" 1
464 1 37 ALA H 1 39 ASP H 4.950 . 4.950 4.062 3.989 4.184 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 38 LEU HA 1 38 LEU MD1 4.070 . 4.070 3.321 2.175 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 38 LEU HA 1 38 LEU MD2 4.070 . 4.070 2.223 2.156 2.282 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 38 LEU HA 1 41 LEU H 4.070 . 4.070 3.653 3.487 3.789 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 38 LEU HA 1 42 TYR H 4.490 . 4.490 3.907 3.820 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 38 LEU HB3 1 39 ASP H 3.830 . 3.830 3.505 3.282 3.683 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 38 LEU HB3 1 40 GLN H 5.500 . 5.500 5.663 5.545 5.809 0.309 25 0 "[ . 1 . 2 . 3]" 1
471 1 38 LEU HB3 1 84 TYR QE 4.360 . 4.360 2.610 2.311 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 38 LEU HB2 1 39 ASP H 3.870 . 3.870 3.210 3.064 3.396 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 38 LEU HB2 1 84 TYR QE 3.810 . 3.810 3.024 2.627 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 38 LEU QD 1 39 ASP H 4.460 . 4.460 4.232 3.991 4.358 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 38 LEU QD 1 81 VAL HA 4.280 . 4.280 3.150 2.849 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 38 LEU QD 1 81 VAL MG1 3.580 . 3.580 2.183 1.969 2.449 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 38 LEU QD 1 84 TYR HB3 5.310 . 5.310 3.085 2.772 3.559 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 38 LEU QD 1 84 TYR HD2 4.180 . 4.180 2.475 2.209 3.121 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 38 LEU QD 1 84 TYR HE2 5.440 . 5.440 3.559 3.165 4.405 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 38 LEU QD 1 84 TYR H 4.970 . 4.970 4.728 4.499 5.028 0.058 15 0 "[ . 1 . 2 . 3]" 1
481 1 38 LEU QD 1 85 LEU HB2 4.530 . 4.530 3.398 3.124 3.547 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 38 LEU QD 1 85 LEU H 4.020 . 4.020 3.988 3.774 4.157 0.137 16 0 "[ . 1 . 2 . 3]" 1
483 1 17 LEU QD 1 38 LEU MD2 2.300 . 2.300 2.312 1.910 2.519 0.219 25 0 "[ . 1 . 2 . 3]" 1
484 1 38 LEU MD2 1 132 ILE MD 3.300 . 3.300 3.252 2.657 3.582 0.282 17 0 "[ . 1 . 2 . 3]" 1
485 1 38 LEU H 1 38 LEU HB3 3.440 . 3.440 3.420 3.255 3.482 0.042 6 0 "[ . 1 . 2 . 3]" 1
486 1 38 LEU H 1 38 LEU HB2 3.720 . 3.720 2.124 2.047 2.178 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 38 LEU H 1 38 LEU QD 3.340 . 3.340 3.140 2.560 3.380 0.040 22 0 "[ . 1 . 2 . 3]" 1
488 1 38 LEU H 1 39 ASP H 3.400 . 3.400 2.631 2.530 2.703 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 39 ASP HA 1 41 LEU H 5.500 . 5.500 4.519 4.417 4.625 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 39 ASP HA 1 42 TYR QB 4.730 . 4.730 2.346 2.245 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 39 ASP HA 1 42 TYR QD 4.700 . 4.700 3.580 3.089 4.302 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 39 ASP HA 1 42 TYR H 5.500 . 5.500 3.383 3.292 3.527 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 39 ASP HA 1 43 SER H 4.540 . 4.540 4.302 4.209 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 39 ASP HA 1 88 LYS QG 5.340 . 5.340 3.695 2.641 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 39 ASP HB3 1 40 GLN H 4.160 . 4.160 2.917 2.324 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 39 ASP HB2 1 40 GLN H 3.860 . 3.860 3.050 2.328 3.654 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 39 ASP HB2 1 41 LEU H 5.500 . 5.500 5.308 4.806 5.736 0.236 17 0 "[ . 1 . 2 . 3]" 1
498 1 39 ASP H 1 39 ASP HB3 3.840 . 3.840 3.092 2.587 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 39 ASP H 1 39 ASP HB2 3.530 . 3.530 2.329 2.134 2.478 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 39 ASP H 1 40 GLN QB 5.090 . 5.090 4.847 4.674 5.071 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 39 ASP H 1 40 GLN HG3 5.500 . 5.500 4.373 3.771 5.651 0.151 14 0 "[ . 1 . 2 . 3]" 1
502 1 39 ASP H 1 40 GLN HG2 5.500 . 5.500 4.240 3.456 4.677 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 39 ASP H 1 40 GLN H 3.590 . 3.590 2.567 2.510 2.719 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 40 GLN HA 1 40 GLN QG 3.680 . 3.680 2.811 2.488 3.372 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 40 GLN HA 1 43 SER H 4.010 . 4.010 3.553 3.466 3.647 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 40 GLN QB 1 41 LEU H 4.010 . 4.010 2.822 2.463 3.399 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 40 GLN HB3 1 43 SER H 5.500 . 5.500 5.638 5.410 5.870 0.370 27 0 "[ . 1 . 2 . 3]" 1
508 1 40 GLN HB2 1 43 SER H 5.500 . 5.500 5.556 5.378 5.720 0.220 7 0 "[ . 1 . 2 . 3]" 1
509 1 40 GLN QG 1 43 SER H 5.340 . 5.340 5.381 5.031 5.539 0.199 13 0 "[ . 1 . 2 . 3]" 1
510 1 40 GLN HG3 1 41 LEU H 5.500 . 5.500 3.148 1.968 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 40 GLN HG3 1 42 TYR H 5.500 . 5.500 5.333 4.561 5.780 0.280 25 0 "[ . 1 . 2 . 3]" 1
512 1 40 GLN HG2 1 41 LEU H 5.500 . 5.500 3.555 1.866 4.444 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 40 GLN HG2 1 42 TYR H 5.500 . 5.500 5.394 4.418 5.913 0.413 13 0 "[ . 1 . 2 . 3]" 1
514 1 40 GLN H 1 40 GLN QB 3.080 . 3.080 2.661 2.374 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 40 GLN H 1 40 GLN QG 3.650 . 3.650 1.899 1.726 2.237 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 40 GLN H 1 41 LEU HA 5.500 . 5.500 5.294 5.244 5.313 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 40 GLN H 1 41 LEU QB 5.340 . 5.340 4.437 4.372 4.474 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 40 GLN H 1 42 TYR H 5.500 . 5.500 3.989 3.918 4.096 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 41 LEU HA 1 41 LEU MD1 3.510 . 3.510 2.130 2.103 2.203 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 41 LEU HA 1 41 LEU MD2 4.010 . 4.010 3.802 3.773 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 41 LEU HA 1 44 GLN QE 4.620 . 4.620 2.834 2.309 3.989 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 41 LEU HA 1 44 GLN H 3.600 . 3.600 3.521 3.450 3.724 0.124 16 0 "[ . 1 . 2 . 3]" 1
523 1 41 LEU HA 1 45 LEU QB 5.340 . 5.340 5.611 5.480 5.789 0.449 20 0 "[ . 1 . 2 . 3]" 1
524 1 41 LEU HA 1 45 LEU H 4.580 . 4.580 4.560 4.326 4.695 0.115 20 0 "[ . 1 . 2 . 3]" 1
525 1 41 LEU QB 1 42 TYR H 3.560 . 3.560 2.658 2.590 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 41 LEU QB 1 44 GLN QE 4.760 . 4.760 3.978 3.418 4.994 0.234 29 0 "[ . 1 . 2 . 3]" 1
527 1 41 LEU MD1 1 44 GLN QB 4.270 . 4.270 2.369 2.152 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 41 LEU MD1 1 44 GLN QE 4.850 . 4.850 1.981 1.650 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 41 LEU MD1 1 44 GLN QG 4.850 . 4.850 3.676 2.161 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 41 LEU MD1 1 44 GLN H 5.440 . 5.440 4.114 3.935 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 41 LEU MD1 1 45 LEU MD2 3.700 . 3.700 2.632 2.297 2.973 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 41 LEU MD1 1 45 LEU HG 4.210 . 4.210 2.476 2.301 2.654 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 41 LEU MD1 1 45 LEU H 5.440 . 5.440 3.890 3.735 4.086 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 41 LEU MD2 1 45 LEU MD2 4.200 . 4.200 3.939 3.773 4.180 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 41 LEU MD2 1 85 LEU MD1 5.370 . 5.370 3.801 3.272 4.102 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 41 LEU MD2 1 132 ILE MD 3.190 . 3.190 2.565 1.870 3.380 0.190 22 0 "[ . 1 . 2 . 3]" 1
537 1 41 LEU MD2 1 132 ILE HG13 4.430 . 4.430 2.578 2.136 3.201 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 41 LEU MD2 1 132 ILE HG12 4.430 . 4.430 3.770 3.398 4.159 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 41 LEU MD2 1 132 ILE MG 5.280 . 5.280 3.239 2.847 3.557 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 41 LEU HG 1 42 TYR H 5.500 . 5.500 3.668 3.585 3.783 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 41 LEU HG 1 44 GLN H 5.480 . 5.480 5.293 4.653 5.531 0.051 17 0 "[ . 1 . 2 . 3]" 1
542 1 41 LEU H 1 41 LEU QB 3.100 . 3.100 2.262 2.245 2.283 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 41 LEU H 1 41 LEU MD1 4.200 . 4.200 4.125 4.059 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 41 LEU H 1 41 LEU MD2 4.700 . 4.700 4.292 4.256 4.320 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 41 LEU H 1 41 LEU HG 4.570 . 4.570 4.406 4.380 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 41 LEU H 1 42 TYR HB3 5.500 . 5.500 4.507 4.419 4.740 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 41 LEU H 1 42 TYR HB2 5.500 . 5.500 5.357 5.182 5.446 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 41 LEU H 1 42 TYR H 3.760 . 3.760 2.606 2.536 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 42 TYR HA 1 44 GLN H 5.500 . 5.500 4.580 3.487 4.797 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 42 TYR HA 1 45 LEU HB3 5.500 . 5.500 4.492 4.218 4.966 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 42 TYR HA 1 45 LEU HB2 5.500 . 5.500 2.829 2.560 3.228 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 42 TYR HA 1 45 LEU MD1 4.260 . 4.260 2.971 2.522 3.557 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 42 TYR HA 1 45 LEU H 3.890 . 3.890 3.451 3.102 3.677 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 42 TYR HA 1 46 SER H 4.710 . 4.710 4.244 3.919 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 42 TYR HA 1 85 LEU MD2 4.830 . 4.830 2.666 2.489 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 42 TYR QB 1 43 SER H 3.550 . 3.550 2.629 2.264 2.760 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 42 TYR QB 1 90 ILE MD 5.340 . 5.340 4.399 4.176 5.230 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 42 TYR QD 1 43 SER HA 4.860 . 4.860 3.356 3.152 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 42 TYR QD 1 43 SER H 3.980 . 3.980 2.731 2.441 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 42 TYR QD 1 44 GLN H 5.500 . 5.500 5.180 4.601 5.344 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 42 TYR QD 1 45 LEU H 5.500 . 5.500 4.924 4.754 5.045 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 42 TYR QD 1 46 SER QB 4.030 . 4.030 3.568 3.197 4.191 0.161 26 0 "[ . 1 . 2 . 3]" 1
563 1 42 TYR QD 1 46 SER H 4.960 . 4.960 4.560 4.362 4.937 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 42 TYR QD 1 85 LEU HA 4.380 . 4.380 4.280 4.154 4.424 0.044 9 0 "[ . 1 . 2 . 3]" 1
565 1 42 TYR QD 1 85 LEU HB3 5.410 . 5.410 5.153 5.044 5.398 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 42 TYR QD 1 85 LEU MD2 3.360 . 3.360 1.996 1.972 2.062 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 42 TYR QD 1 88 LYS H 5.500 . 5.500 5.010 4.937 5.115 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 42 TYR QD 1 90 ILE HB 4.390 . 4.390 3.731 3.353 4.162 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 42 TYR QD 1 90 ILE MD 4.090 . 4.090 2.404 2.219 3.314 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 42 TYR QD 1 90 ILE MG 5.500 . 5.500 4.409 3.922 4.785 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 42 TYR HD1 1 88 LYS HA 5.500 . 5.500 5.563 5.433 5.820 0.320 22 0 "[ . 1 . 2 . 3]" 1
572 1 42 TYR HD1 1 88 LYS QB 3.470 . 3.470 2.702 2.597 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 42 TYR HD1 1 88 LYS QG 4.270 . 4.270 3.387 3.146 4.380 0.110 16 0 "[ . 1 . 2 . 3]" 1
574 1 42 TYR HD2 1 88 LYS HA 5.500 . 5.500 5.154 4.905 5.586 0.086 16 0 "[ . 1 . 2 . 3]" 1
575 1 42 TYR HD2 1 88 LYS QB 3.470 . 3.470 3.239 3.108 3.461 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 42 TYR HD2 1 88 LYS QG 4.270 . 4.270 4.114 2.963 4.556 0.286 28 0 "[ . 1 . 2 . 3]" 1
577 1 42 TYR QE 1 43 SER HA 5.110 . 5.110 3.649 3.491 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 42 TYR QE 1 46 SER HA 5.500 . 5.500 4.025 3.604 4.510 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 42 TYR QE 1 46 SER QB 4.160 . 4.160 2.958 2.639 3.352 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 42 TYR QE 1 46 SER H 5.500 . 5.500 4.840 4.621 5.192 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 42 TYR QE 1 85 LEU MD2 4.200 . 4.200 3.577 3.387 3.709 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 42 TYR QE 1 89 GLY QA 4.730 . 4.730 4.115 3.876 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 42 TYR QE 1 89 GLY H 5.500 . 5.500 4.539 4.231 5.051 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 42 TYR QE 1 90 ILE HA 4.850 . 4.850 4.024 3.661 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 42 TYR QE 1 90 ILE HB 3.830 . 3.830 2.663 2.257 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 42 TYR QE 1 90 ILE MD 3.400 . 3.400 2.213 1.981 2.388 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 42 TYR QE 1 90 ILE H 4.940 . 4.940 3.968 2.743 4.760 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 42 TYR HE1 1 88 LYS QB 3.540 . 3.540 2.757 2.617 3.120 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 42 TYR HE2 1 88 LYS QB 3.540 . 3.540 3.304 3.233 3.444 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 42 TYR H 1 42 TYR QB 3.290 . 3.290 2.162 2.124 2.233 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 42 TYR H 1 42 TYR QD 4.470 . 4.470 4.031 3.970 4.158 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 42 TYR H 1 43 SER H 3.970 . 3.970 2.892 2.849 2.982 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 42 TYR H 1 44 GLN H 5.500 . 5.500 4.424 3.730 4.698 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 42 TYR H 1 45 LEU MD1 5.010 . 5.010 4.584 4.200 4.907 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 42 TYR H 1 85 LEU MD2 4.220 . 4.220 4.468 4.313 4.728 0.508 17 1 "[ . 1 . + 2 . 3]" 1
596 1 43 SER HA 1 46 SER H 4.540 . 4.540 3.008 2.869 3.520 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 43 SER QB 1 44 GLN H 3.810 . 3.810 2.636 2.249 3.255 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 43 SER H 1 43 SER HB3 3.490 . 3.490 2.925 2.313 3.589 0.099 15 0 "[ . 1 . 2 . 3]" 1
599 1 43 SER H 1 43 SER HB2 3.490 . 3.490 2.830 2.261 3.585 0.095 3 0 "[ . 1 . 2 . 3]" 1
600 1 43 SER H 1 44 GLN HA 5.500 . 5.500 5.415 5.260 5.481 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 43 SER H 1 44 GLN H 2.800 . 2.800 2.842 2.680 2.949 0.149 16 0 "[ . 1 . 2 . 3]" 1
602 1 43 SER H 1 46 SER QB 4.890 . 4.890 4.444 4.133 4.912 0.022 1 0 "[ . 1 . 2 . 3]" 1
603 1 43 SER H 1 46 SER H 5.300 . 5.300 4.500 4.364 4.843 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 44 GLN HA 1 44 GLN QE 5.170 . 5.170 4.209 2.870 5.108 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 44 GLN HA 1 44 GLN QG 3.550 . 3.550 2.384 2.198 3.264 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 44 GLN QB 1 44 GLN QE 3.990 . 3.990 1.819 1.671 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 44 GLN QB 1 45 LEU MD2 4.540 . 4.540 2.972 2.526 3.524 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 44 GLN QB 1 45 LEU H 4.190 . 4.190 2.880 2.728 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 44 GLN QE 1 45 LEU HA 5.340 . 5.340 5.279 3.358 5.734 0.394 23 0 "[ . 1 . 2 . 3]" 1
610 1 44 GLN QE 1 45 LEU QB 5.180 . 5.180 5.262 4.127 5.450 0.270 20 0 "[ . 1 . 2 . 3]" 1
611 1 44 GLN QE 1 45 LEU MD2 5.500 . 5.500 3.359 1.779 5.172 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 44 GLN QE 1 45 LEU HG 5.500 . 5.500 3.686 2.684 4.595 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 44 GLN QG 1 45 LEU MD2 5.280 . 5.280 3.813 2.610 5.026 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 44 GLN QG 1 45 LEU H 4.650 . 4.650 4.072 2.536 4.696 0.046 11 0 "[ . 1 . 2 . 3]" 1
615 1 44 GLN H 1 44 GLN QB 3.370 . 3.370 2.368 2.180 2.639 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 44 GLN H 1 45 LEU MD2 4.960 . 4.960 4.850 4.459 5.214 0.254 2 0 "[ . 1 . 2 . 3]" 1
617 1 44 GLN H 1 45 LEU HG 5.100 . 5.100 4.195 3.799 4.358 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 44 GLN H 1 45 LEU H 2.810 . 2.810 2.686 2.203 2.799 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 44 GLN H 1 46 SER H 4.450 . 4.450 3.898 3.312 4.132 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 45 LEU HA 1 45 LEU MD1 4.250 . 4.250 3.798 3.734 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 45 LEU HA 1 45 LEU MD2 4.250 . 4.250 2.093 2.057 2.134 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 45 LEU HA 1 47 ASN H 4.230 . 4.230 3.857 3.554 4.199 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 45 LEU HA 1 48 LEU H 4.490 . 4.490 3.932 3.646 4.304 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 45 LEU HA 1 137 ILE MD 4.310 . 4.310 2.454 2.253 2.768 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 45 LEU QB 1 46 SER H 4.460 . 4.460 3.021 2.860 3.150 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 45 LEU QB 1 47 ASN H 5.340 . 5.340 4.682 4.517 4.834 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 45 LEU QB 1 48 LEU MD1 3.410 . 3.410 3.437 3.112 3.643 0.233 11 0 "[ . 1 . 2 . 3]" 1
628 1 45 LEU MD2 1 46 SER H 4.970 . 4.970 4.505 4.315 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 45 LEU MD2 1 134 VAL HA 5.440 . 5.440 4.534 4.253 4.817 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 45 LEU MD2 1 134 VAL HB 4.280 . 4.280 3.095 2.292 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 45 LEU MD2 1 134 VAL QG 3.030 . 3.030 1.793 1.721 1.922 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 45 LEU MD2 1 137 ILE MD 2.300 . 2.300 2.295 1.993 2.520 0.220 28 0 "[ . 1 . 2 . 3]" 1
633 1 45 LEU HG 1 46 SER H 4.890 . 4.890 4.237 4.101 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 45 LEU H 1 45 LEU QB 3.180 . 3.180 2.499 2.437 2.577 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 45 LEU H 1 45 LEU MD1 4.600 . 4.600 3.772 3.619 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 45 LEU H 1 45 LEU MD2 3.600 . 3.600 3.242 2.903 3.494 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 45 LEU H 1 45 LEU HG 3.230 . 3.230 2.363 2.264 2.466 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 45 LEU H 1 46 SER H 3.290 . 3.290 2.155 2.102 2.230 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 46 SER HA 1 48 LEU MD2 3.870 . 3.870 3.089 2.543 3.497 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 46 SER HA 1 48 LEU H 4.710 . 4.710 3.585 3.431 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 46 SER QB 1 48 LEU MD2 5.280 . 5.280 4.536 3.965 4.957 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 46 SER H 1 46 SER QB 3.430 . 3.430 2.367 2.175 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 46 SER H 1 47 ASN H 3.890 . 3.890 2.450 2.373 2.568 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 46 SER H 1 48 LEU H 4.690 . 4.690 4.190 4.080 4.411 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 47 ASN HA 1 48 LEU MD2 5.190 . 5.190 3.918 3.611 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 47 ASN HA 1 48 LEU H 3.370 . 3.370 3.034 2.959 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 47 ASN QB 1 48 LEU H 3.950 . 3.950 3.751 3.617 4.000 0.050 17 0 "[ . 1 . 2 . 3]" 1
648 1 47 ASN H 1 47 ASN HB3 3.910 . 3.910 3.140 2.508 3.673 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 47 ASN H 1 47 ASN HB2 3.910 . 3.910 2.811 2.350 3.687 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 47 ASN H 1 48 LEU HB2 5.500 . 5.500 5.621 5.493 5.793 0.293 1 0 "[ . 1 . 2 . 3]" 1
651 1 47 ASN H 1 48 LEU MD2 4.990 . 4.990 3.873 3.407 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 47 ASN H 1 48 LEU H 3.650 . 3.650 2.628 2.477 2.795 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 48 LEU HA 1 48 LEU MD1 4.120 . 4.120 4.099 4.063 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 48 LEU HA 1 48 LEU MD2 3.620 . 3.620 3.472 3.385 3.512 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 48 LEU HA 1 49 ASP H 3.270 . 3.270 2.459 2.230 2.631 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 48 LEU HA 1 137 ILE MD 3.630 . 3.630 3.641 3.383 3.800 0.170 18 0 "[ . 1 . 2 . 3]" 1
657 1 48 LEU HB3 1 48 LEU MD1 2.970 . 2.970 2.410 2.304 2.481 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 48 LEU HB3 1 137 ILE HB 3.770 . 3.770 3.305 2.540 3.615 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 48 LEU HB3 1 137 ILE MD 3.010 . 3.010 2.968 2.605 3.236 0.226 29 0 "[ . 1 . 2 . 3]" 1
660 1 48 LEU HB2 1 49 ASP H 3.620 . 3.620 2.672 2.182 3.191 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 48 LEU MD1 1 55 VAL MG2 2.500 . 2.500 2.234 1.958 2.500 0.000 22 0 "[ . 1 . 2 . 3]" 1
662 1 48 LEU MD1 1 134 VAL HA 4.590 . 4.590 4.016 3.589 4.414 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 48 LEU MD1 1 134 VAL HB 4.460 . 4.460 4.575 4.448 4.729 0.269 24 0 "[ . 1 . 2 . 3]" 1
664 1 48 LEU MD1 1 134 VAL QG 2.210 . 2.210 2.082 1.913 2.238 0.028 24 0 "[ . 1 . 2 . 3]" 1
665 1 48 LEU MD1 1 134 VAL MG1 2.500 . 2.500 2.093 1.929 2.249 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 48 LEU MD1 1 137 ILE HB 3.140 . 3.140 3.197 2.823 3.602 0.462 23 0 "[ . 1 . 2 . 3]" 1
667 1 48 LEU MD1 1 137 ILE H 4.610 . 4.610 4.338 3.532 4.876 0.266 12 0 "[ . 1 . 2 . 3]" 1
668 1 48 LEU MD2 1 49 ASP H 4.010 . 4.010 3.886 3.601 4.268 0.258 12 0 "[ . 1 . 2 . 3]" 1
669 1 48 LEU MD2 1 50 PRO HD3 3.710 . 3.710 3.588 2.668 3.934 0.224 25 0 "[ . 1 . 2 . 3]" 1
670 1 48 LEU H 1 48 LEU HB2 3.660 . 3.660 3.563 3.542 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 48 LEU H 1 48 LEU MD1 4.400 . 4.400 3.809 3.550 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 48 LEU H 1 48 LEU MD2 3.400 . 3.400 1.783 1.602 1.955 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 48 LEU H 1 49 ASP HA 5.500 . 5.500 5.472 5.389 5.604 0.104 30 0 "[ . 1 . 2 . 3]" 1
674 1 48 LEU H 1 49 ASP H 4.650 . 4.650 4.585 4.502 4.640 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 49 ASP HA 1 50 PRO HD3 3.680 . 3.680 2.329 2.219 2.426 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 49 ASP HB3 1 137 ILE H 5.500 . 5.500 4.867 4.038 5.307 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 49 ASP HB3 1 138 LYS H 5.500 . 5.500 5.585 5.269 5.831 0.331 19 0 "[ . 1 . 2 . 3]" 1
678 1 49 ASP HB2 1 51 LYS H 5.500 . 5.500 4.622 4.514 4.809 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 49 ASP HB2 1 137 ILE H 5.500 . 5.500 5.353 4.802 5.593 0.093 19 0 "[ . 1 . 2 . 3]" 1
680 1 49 ASP HB2 1 138 LYS H 5.500 . 5.500 4.616 3.960 5.505 0.005 18 0 "[ . 1 . 2 . 3]" 1
681 1 49 ASP H 1 49 ASP HB3 3.290 . 3.290 2.746 2.427 2.903 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 49 ASP H 1 50 PRO HD2 4.680 . 4.680 4.940 4.878 5.089 0.409 3 0 "[ . 1 . 2 . 3]" 1
683 1 49 ASP H 1 134 VAL QG 4.970 . 4.970 4.891 4.431 5.133 0.163 30 0 "[ . 1 . 2 . 3]" 1
684 1 49 ASP H 1 137 ILE HA 3.760 . 3.760 2.183 1.888 2.795 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 49 ASP H 1 137 ILE H 5.500 . 5.500 4.252 2.966 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 49 ASP H 1 138 LYS H 5.500 . 5.500 3.808 3.254 4.918 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 50 PRO HA 1 52 ASP H 4.620 . 4.620 4.006 3.701 4.180 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 50 PRO HA 1 53 GLY H 5.200 . 5.200 2.736 2.524 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 50 PRO QB 1 53 GLY H 4.370 . 4.370 4.151 3.872 4.379 0.009 8 0 "[ . 1 . 2 . 3]" 1
690 1 50 PRO HB3 1 51 LYS H 4.200 . 4.200 4.289 4.206 4.334 0.134 18 0 "[ . 1 . 2 . 3]" 1
691 1 50 PRO HB2 1 51 LYS H 4.200 . 4.200 3.419 2.988 3.692 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 51 LYS QB 1 52 ASP HA 5.340 . 5.340 4.269 3.963 4.515 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 51 LYS QB 1 52 ASP H 3.150 . 3.150 2.418 2.238 3.352 0.202 19 0 "[ . 1 . 2 . 3]" 1
694 1 51 LYS QB 1 53 GLY H 4.970 . 4.970 4.079 3.911 4.794 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 51 LYS QD 1 52 ASP HA 5.340 . 5.340 5.136 3.476 5.581 0.241 6 0 "[ . 1 . 2 . 3]" 1
696 1 51 LYS QG 1 52 ASP H 4.700 . 4.700 3.546 1.792 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 51 LYS H 1 51 LYS QB 2.940 . 2.940 2.310 2.137 2.417 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 51 LYS H 1 51 LYS QG 4.480 . 4.480 3.525 2.396 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 51 LYS H 1 52 ASP HA 5.290 . 5.290 5.562 5.514 5.592 0.302 17 0 "[ . 1 . 2 . 3]" 1
700 1 51 LYS H 1 52 ASP H 3.170 . 3.170 3.147 3.025 3.270 0.100 12 0 "[ . 1 . 2 . 3]" 1
701 1 51 LYS H 1 53 GLY H 3.630 . 3.630 3.801 3.759 3.846 0.216 21 0 "[ . 1 . 2 . 3]" 1
702 1 51 LYS H 1 136 GLY QA 4.510 . 4.510 4.792 4.615 5.038 0.528 19 1 "[ . 1 . +2 . 3]" 1
703 1 52 ASP QB 1 53 GLY H 3.840 . 3.840 3.128 2.960 3.711 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 52 ASP H 1 52 ASP QB 2.840 . 2.840 2.504 2.366 2.971 0.131 19 0 "[ . 1 . 2 . 3]" 1
705 1 52 ASP H 1 53 GLY QA 4.370 . 4.370 3.905 3.783 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 52 ASP H 1 53 GLY H 3.290 . 3.290 1.967 1.822 2.108 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 53 GLY QA 1 54 SER H 3.030 . 3.030 2.635 2.529 2.716 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 53 GLY QA 1 94 LYS QD 4.760 . 4.760 2.384 2.052 2.806 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 53 GLY QA 1 135 LYS QG 5.680 . 5.680 5.460 4.825 5.708 0.028 29 0 "[ . 1 . 2 . 3]" 1
710 1 53 GLY HA3 1 55 VAL MG2 5.500 . 5.500 4.999 4.734 5.317 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 53 GLY HA2 1 55 VAL MG2 5.500 . 5.500 3.906 3.749 4.191 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 53 GLY H 1 54 SER H 4.050 . 4.050 3.244 3.199 3.317 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 53 GLY H 1 94 LYS QD 5.090 . 5.090 4.565 4.048 5.101 0.011 27 0 "[ . 1 . 2 . 3]" 1
714 1 53 GLY H 1 94 LYS QE 5.340 . 5.340 5.154 4.470 5.676 0.336 3 0 "[ . 1 . 2 . 3]" 1
715 1 53 GLY H 1 135 LYS QE 5.500 . 5.500 5.522 2.172 5.977 0.477 3 0 "[ . 1 . 2 . 3]" 1
716 1 53 GLY H 1 135 LYS QG 5.090 . 5.090 5.038 4.297 5.253 0.163 18 0 "[ . 1 . 2 . 3]" 1
717 1 54 SER HA 1 55 VAL MG1 5.500 . 5.500 5.492 5.447 5.528 0.028 19 0 "[ . 1 . 2 . 3]" 1
718 1 54 SER HA 1 55 VAL MG2 5.500 . 5.500 3.863 3.643 3.993 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 54 SER HA 1 55 VAL H 3.210 . 3.210 2.157 2.119 2.212 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 54 SER QB 1 55 VAL H 3.590 . 3.590 3.630 3.467 3.943 0.353 18 0 "[ . 1 . 2 . 3]" 1
721 1 54 SER QB 1 56 VAL QG 5.280 . 5.280 3.377 2.978 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 54 SER QB 1 135 LYS HB3 4.780 . 4.780 2.629 2.240 4.312 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 54 SER QB 1 135 LYS QG 4.000 . 4.000 2.853 1.946 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 54 SER HB3 1 135 LYS HB2 5.500 . 5.500 4.758 3.871 5.572 0.072 1 0 "[ . 1 . 2 . 3]" 1
725 1 54 SER HB3 1 135 LYS H 5.500 . 5.500 4.099 3.165 5.233 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 54 SER HB2 1 135 LYS HB2 5.500 . 5.500 4.529 3.861 5.590 0.090 4 0 "[ . 1 . 2 . 3]" 1
727 1 54 SER HB2 1 135 LYS H 5.500 . 5.500 3.990 3.236 5.417 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 54 SER H 1 54 SER QB 3.250 . 3.250 2.455 2.282 3.079 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 54 SER H 1 55 VAL MG2 4.160 . 4.160 3.621 3.413 3.756 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 54 SER H 1 55 VAL H 5.500 . 5.500 4.196 4.011 4.269 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 54 SER H 1 135 LYS HB3 5.400 . 5.400 4.249 3.640 5.779 0.379 11 0 "[ . 1 . 2 . 3]" 1
732 1 54 SER H 1 135 LYS QG 3.790 . 3.790 3.754 2.933 4.102 0.312 8 0 "[ . 1 . 2 . 3]" 1
733 1 54 SER H 1 135 LYS H 3.980 . 3.980 3.847 3.605 4.107 0.127 23 0 "[ . 1 . 2 . 3]" 1
734 1 55 VAL HA 1 55 VAL MG2 3.530 . 3.530 2.312 2.228 2.432 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 55 VAL HA 1 56 VAL HB 5.500 . 5.500 4.853 4.624 4.969 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 55 VAL HA 1 56 VAL H 3.130 . 3.130 2.219 2.184 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 55 VAL HA 1 134 VAL HA 2.870 . 2.870 2.557 2.417 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 55 VAL HA 1 135 LYS H 3.440 . 3.440 3.523 3.158 3.815 0.375 14 0 "[ . 1 . 2 . 3]" 1
739 1 55 VAL HB 1 95 ILE MG 3.610 . 3.610 2.155 2.100 2.216 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 55 VAL HB 1 95 ILE H 4.480 . 4.480 4.578 4.494 4.656 0.176 4 0 "[ . 1 . 2 . 3]" 1
741 1 55 VAL HB 1 96 SER H 4.400 . 4.400 4.200 3.868 4.418 0.018 28 0 "[ . 1 . 2 . 3]" 1
742 1 55 VAL MG1 1 56 VAL H 3.730 . 3.730 3.375 3.257 3.448 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 55 VAL MG1 1 133 GLU H 4.480 . 4.480 4.059 3.847 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 55 VAL MG2 1 134 VAL HA 3.820 . 3.820 2.737 2.464 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 55 VAL MG2 1 135 LYS H 4.330 . 4.330 3.526 3.097 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 55 VAL H 1 55 VAL HB 3.860 . 3.860 2.633 2.573 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 55 VAL H 1 55 VAL MG1 3.870 . 3.870 3.842 3.798 3.916 0.046 25 0 "[ . 1 . 2 . 3]" 1
748 1 55 VAL H 1 55 VAL MG2 3.290 . 3.290 2.894 2.559 3.087 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 55 VAL H 1 56 VAL HA 5.430 . 5.430 4.620 4.535 4.671 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 55 VAL H 1 94 LYS HA 5.500 . 5.500 4.731 4.546 4.909 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 55 VAL H 1 94 LYS QB 5.340 . 5.340 4.968 4.805 5.223 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 55 VAL H 1 94 LYS QG 3.890 . 3.890 3.535 3.268 3.968 0.078 18 0 "[ . 1 . 2 . 3]" 1
753 1 55 VAL H 1 95 ILE HA 4.050 . 4.050 2.661 2.305 2.896 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 55 VAL H 1 96 SER H 5.010 . 5.010 4.706 4.317 4.997 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 56 VAL HA 1 57 VAL H 3.290 . 3.290 2.115 2.096 2.134 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 56 VAL HA 1 95 ILE HA 5.500 . 5.500 4.266 4.030 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 56 VAL HA 1 96 SER H 3.770 . 3.770 2.987 2.792 3.257 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 56 VAL HA 1 98 ARG H 5.500 . 5.500 5.567 5.093 5.938 0.438 14 0 "[ . 1 . 2 . 3]" 1
759 1 56 VAL QG 1 57 VAL H 3.240 . 3.240 2.733 2.626 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 56 VAL QG 1 96 SER QB 4.520 . 4.520 2.135 1.963 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 56 VAL QG 1 98 ARG HA 5.420 . 5.420 4.874 4.651 5.141 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 56 VAL QG 1 98 ARG HB3 3.280 . 3.280 3.180 2.774 3.682 0.402 4 0 "[ . 1 . 2 . 3]" 1
763 1 56 VAL QG 1 98 ARG QD 4.400 . 4.400 3.245 2.044 4.259 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 56 VAL QG 1 98 ARG H 4.630 . 4.630 3.967 3.520 4.283 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 56 VAL QG 1 133 GLU QB 3.560 . 3.560 3.102 2.810 3.200 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 56 VAL QG 1 133 GLU QG 4.240 . 4.240 3.772 3.246 4.053 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 56 VAL H 1 56 VAL HB 3.690 . 3.690 2.638 2.398 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 56 VAL H 1 56 VAL QG 3.090 . 3.090 2.235 2.042 2.505 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 56 VAL H 1 57 VAL H 4.640 . 4.640 4.423 4.380 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 56 VAL H 1 133 GLU QB 3.860 . 3.860 2.797 2.572 3.099 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 56 VAL H 1 133 GLU H 3.540 . 3.540 3.821 3.663 3.940 0.400 23 0 "[ . 1 . 2 . 3]" 1
772 1 57 VAL HA 1 58 LEU QD 4.520 . 4.520 4.041 3.745 4.385 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 57 VAL HA 1 58 LEU H 3.430 . 3.430 2.137 2.119 2.160 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 57 VAL HA 1 132 ILE HA 5.500 . 5.500 2.310 2.179 2.489 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 57 VAL HA 1 133 GLU H 4.370 . 4.370 2.883 2.738 3.121 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 57 VAL HB 1 82 VAL MG1 4.780 . 4.780 4.638 4.175 4.833 0.053 15 0 "[ . 1 . 2 . 3]" 1
777 1 57 VAL HB 1 82 VAL MG2 3.780 . 3.780 2.188 2.050 2.282 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 57 VAL HB 1 82 VAL H 5.900 . 5.900 4.501 4.329 4.764 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 57 VAL HB 1 97 ALA HA 5.500 . 5.500 2.313 2.274 2.360 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 57 VAL HB 1 98 ARG H 5.160 . 5.160 3.457 3.192 3.634 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 57 VAL MG1 1 58 LEU H 3.220 . 3.220 2.709 2.555 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 57 VAL MG1 1 78 ALA MB 3.570 . 3.570 2.812 2.251 3.124 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 57 VAL MG1 1 97 ALA HA 4.350 . 4.350 3.667 3.298 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 57 VAL MG1 1 98 ARG H 4.810 . 4.810 3.884 3.578 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 57 VAL MG1 1 132 ILE HA 4.220 . 4.220 3.089 2.779 3.365 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 57 VAL MG2 1 97 ALA HA 4.350 . 4.350 3.649 3.368 3.852 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 57 VAL MG2 1 132 ILE HA 4.220 . 4.220 3.207 2.935 3.470 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 57 VAL H 1 57 VAL HB 3.590 . 3.590 2.526 2.414 2.625 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 57 VAL H 1 57 VAL QG 3.610 . 3.610 2.421 2.234 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 57 VAL H 1 58 LEU H 5.500 . 5.500 4.427 4.365 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 57 VAL H 1 96 SER H 4.290 . 4.290 3.193 3.019 3.413 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 57 VAL H 1 97 ALA HA 4.080 . 4.080 3.092 2.625 3.473 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 57 VAL H 1 97 ALA MB 4.950 . 4.950 4.535 4.120 4.830 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 58 LEU HA 1 58 LEU QD 3.600 . 3.600 2.127 2.057 2.211 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 58 LEU HA 1 59 GLY H 3.360 . 3.360 2.196 2.108 2.248 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 58 LEU HA 1 98 ARG HB2 5.500 . 5.500 4.425 4.228 4.813 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 58 LEU HA 1 98 ARG HD3 5.500 . 5.500 4.722 3.784 5.860 0.360 10 0 "[ . 1 . 2 . 3]" 1
798 1 58 LEU HA 1 98 ARG HD2 5.500 . 5.500 5.176 4.070 5.636 0.136 28 0 "[ . 1 . 2 . 3]" 1
799 1 58 LEU HA 1 98 ARG HG3 5.500 . 5.500 5.386 2.637 5.626 0.126 2 0 "[ . 1 . 2 . 3]" 1
800 1 58 LEU HA 1 98 ARG HG2 5.500 . 5.500 4.370 3.489 5.558 0.058 27 0 "[ . 1 . 2 . 3]" 1
801 1 58 LEU HA 1 100 MET H 5.500 . 5.500 4.012 3.573 5.010 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 58 LEU HB3 1 58 LEU QD 2.440 . 2.440 2.099 2.055 2.149 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 58 LEU HB3 1 59 GLY H 4.560 . 4.560 3.058 2.896 3.803 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 58 LEU HB3 1 60 TYR HE1 4.850 . 4.850 2.365 2.225 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 58 LEU HB3 1 131 GLU H 4.710 . 4.710 3.875 3.624 4.515 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 58 LEU HB2 1 58 LEU MD1 3.310 . 3.310 2.330 2.229 2.432 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 58 LEU HB2 1 58 LEU MD2 3.310 . 3.310 3.192 3.157 3.222 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 58 LEU HB2 1 59 GLY H 5.500 . 5.500 4.011 3.816 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 58 LEU HB2 1 60 TYR HE1 3.830 . 3.830 2.211 2.097 2.348 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 58 LEU HB2 1 131 GLU H 5.310 . 5.310 2.695 2.212 3.202 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 58 LEU QD 1 59 GLY H 4.210 . 4.210 3.416 3.141 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 58 LEU QD 1 60 TYR HE1 3.970 . 3.970 3.253 2.849 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 58 LEU QD 1 98 ARG HA 5.020 . 5.020 4.461 4.377 4.953 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 58 LEU QD 1 98 ARG HB2 3.580 . 3.580 3.201 2.958 3.818 0.238 4 0 "[ . 1 . 2 . 3]" 1
815 1 58 LEU QD 1 98 ARG QD 4.330 . 4.330 2.206 1.957 2.935 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 58 LEU QD 1 98 ARG QG 3.840 . 3.840 3.003 1.915 3.436 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 58 LEU QD 1 99 GLY H 5.440 . 5.440 4.668 4.059 5.048 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 58 LEU QD 1 100 MET QB 3.400 . 3.400 3.118 2.352 3.690 0.290 2 0 "[ . 1 . 2 . 3]" 1
819 1 58 LEU QD 1 100 MET QG 3.680 . 3.680 2.839 2.027 3.696 0.016 28 0 "[ . 1 . 2 . 3]" 1
820 1 58 LEU QD 1 100 MET H 4.370 . 4.370 4.022 3.088 4.665 0.295 4 0 "[ . 1 . 2 . 3]" 1
821 1 58 LEU QD 1 132 ILE HA 5.090 . 5.090 4.613 4.280 4.958 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 58 LEU H 1 58 LEU HB3 3.720 . 3.720 3.670 3.620 3.722 0.002 11 0 "[ . 1 . 2 . 3]" 1
823 1 58 LEU H 1 58 LEU HB2 3.990 . 3.990 2.492 2.370 2.607 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 58 LEU H 1 58 LEU QD 3.270 . 3.270 3.205 3.065 3.347 0.077 13 0 "[ . 1 . 2 . 3]" 1
825 1 58 LEU H 1 59 GLY H 5.500 . 5.500 4.479 4.127 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 58 LEU H 1 98 ARG H 5.500 . 5.500 4.988 4.750 5.281 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 58 LEU H 1 131 GLU QB 4.650 . 4.650 3.888 3.669 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 58 LEU H 1 132 ILE HA 4.180 . 4.180 2.981 2.683 3.305 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 58 LEU H 1 132 ILE H 5.500 . 5.500 4.554 4.389 4.748 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 58 LEU H 1 133 GLU H 5.500 . 5.500 3.686 3.392 3.948 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 59 GLY QA 1 100 MET H 5.340 . 5.340 3.431 2.991 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 59 GLY QA 1 130 VAL HA 5.170 . 5.170 2.423 2.283 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 59 GLY QA 1 130 VAL QG 3.540 . 3.540 2.656 1.986 3.266 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 59 GLY QA 1 131 GLU H 5.340 . 5.340 3.585 3.438 3.965 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 59 GLY H 1 78 ALA MB 4.040 . 4.040 2.955 2.107 3.254 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 59 GLY H 1 98 ARG HB2 5.470 . 5.470 5.695 5.487 5.868 0.398 26 0 "[ . 1 . 2 . 3]" 1
837 1 59 GLY H 1 98 ARG H 4.710 . 4.710 4.357 3.669 4.633 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 59 GLY H 1 99 GLY QA 4.760 . 4.760 2.755 1.869 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 59 GLY H 1 99 GLY H 5.500 . 5.500 4.724 4.063 5.020 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 59 GLY H 1 100 MET H 3.750 . 3.750 2.347 1.784 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 60 TYR HA 1 60 TYR HD1 4.520 . 4.520 3.361 3.136 3.472 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 60 TYR HA 1 60 TYR HD2 4.520 . 4.520 3.848 3.602 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 60 TYR HA 1 60 TYR QE 4.810 . 4.810 4.704 4.475 4.842 0.032 17 0 "[ . 1 . 2 . 3]" 1
844 1 60 TYR HA 1 61 THR MG 5.500 . 5.500 4.202 3.319 5.480 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 60 TYR HA 1 61 THR H 3.550 . 3.550 2.203 2.145 2.241 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 60 TYR HA 1 101 GLY QA 5.210 . 5.210 3.708 3.203 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 60 TYR QB 1 129 ARG H 4.080 . 4.080 2.130 1.852 2.910 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 60 TYR HB3 1 61 THR H 5.500 . 5.500 3.520 3.389 3.671 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 60 TYR HB2 1 61 THR H 5.500 . 5.500 4.286 4.188 4.511 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 60 TYR HD1 1 61 THR H 5.500 . 5.500 5.383 5.248 5.429 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 60 TYR HD1 1 100 MET QG 4.250 . 4.250 4.167 3.610 4.396 0.146 28 0 "[ . 1 . 2 . 3]" 1
852 1 60 TYR HD1 1 131 GLU H 5.500 . 5.500 3.145 2.889 3.340 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 60 TYR HD2 1 61 THR H 5.500 . 5.500 5.328 4.767 5.541 0.041 25 0 "[ . 1 . 2 . 3]" 1
854 1 60 TYR HD2 1 100 MET QG 4.250 . 4.250 4.342 3.893 4.626 0.376 28 0 "[ . 1 . 2 . 3]" 1
855 1 60 TYR HD2 1 129 ARG QB 5.550 . 5.550 5.764 5.576 5.948 0.398 22 0 "[ . 1 . 2 . 3]" 1
856 1 60 TYR HD2 1 129 ARG QG 3.220 . 3.220 3.605 3.444 3.778 0.558 22 2 "[ . - 1 . 2 + . 3]" 1
857 1 60 TYR HD2 1 129 ARG H 5.500 . 5.500 5.279 4.982 5.514 0.014 14 0 "[ . 1 . 2 . 3]" 1
858 1 60 TYR HD2 1 131 GLU QG 4.510 . 4.510 4.699 4.191 4.789 0.279 17 0 "[ . 1 . 2 . 3]" 1
859 1 60 TYR HE1 1 100 MET QG 3.060 . 3.060 3.226 3.040 3.469 0.409 16 0 "[ . 1 . 2 . 3]" 1
860 1 60 TYR HE1 1 130 VAL HA 5.500 . 5.500 3.546 3.122 5.061 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 60 TYR HE1 1 131 GLU H 5.500 . 5.500 2.531 2.129 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 60 TYR HE2 1 100 MET QG 4.060 . 4.060 3.486 2.973 4.161 0.101 14 0 "[ . 1 . 2 . 3]" 1
863 1 60 TYR HE2 1 103 SER HB3 5.500 . 5.500 5.033 3.720 5.773 0.273 21 0 "[ . 1 . 2 . 3]" 1
864 1 60 TYR HE2 1 103 SER HB2 5.500 . 5.500 5.080 3.878 5.822 0.322 29 0 "[ . 1 . 2 . 3]" 1
865 1 60 TYR HE2 1 129 ARG QG 4.860 . 4.860 4.833 4.644 5.192 0.332 28 0 "[ . 1 . 2 . 3]" 1
866 1 60 TYR HE2 1 131 GLU QB 4.810 . 4.810 4.897 4.654 5.098 0.288 4 0 "[ . 1 . 2 . 3]" 1
867 1 60 TYR HE2 1 131 GLU QG 4.010 . 4.010 4.206 4.120 4.356 0.346 30 0 "[ . 1 . 2 . 3]" 1
868 1 60 TYR H 1 61 THR H 4.560 . 4.560 4.298 4.116 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 60 TYR H 1 129 ARG HG3 5.500 . 5.500 4.467 4.246 4.744 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 60 TYR H 1 129 ARG HG2 5.500 . 5.500 4.728 4.484 5.361 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 60 TYR H 1 129 ARG H 4.750 . 4.750 3.240 3.014 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 60 TYR H 1 130 VAL HA 5.100 . 5.100 2.803 2.644 2.996 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 60 TYR H 1 130 VAL QG 3.950 . 3.950 3.292 2.244 4.071 0.121 10 0 "[ . 1 . 2 . 3]" 1
874 1 61 THR HA 1 61 THR MG 3.670 . 3.670 2.606 2.211 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 61 THR HA 1 128 ARG HA 3.600 . 3.600 2.967 2.694 3.223 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 61 THR HA 1 129 ARG H 4.470 . 4.470 4.229 3.508 4.492 0.022 29 0 "[ . 1 . 2 . 3]" 1
877 1 61 THR HB 1 62 ASP H 4.490 . 4.490 3.125 2.296 3.957 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 61 THR MG 1 62 ASP H 5.320 . 5.320 3.025 1.682 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 61 THR MG 1 73 LEU QB 4.020 . 4.020 2.400 1.908 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 61 THR MG 1 73 LEU MD1 5.440 . 5.440 3.410 2.561 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 61 THR MG 1 74 SER HA 4.030 . 4.030 3.022 2.066 4.082 0.052 23 0 "[ . 1 . 2 . 3]" 1
882 1 61 THR MG 1 74 SER QB 3.570 . 3.570 2.816 2.025 3.695 0.125 10 0 "[ . 1 . 2 . 3]" 1
883 1 61 THR MG 1 101 GLY QA 3.820 . 3.820 3.161 2.028 3.933 0.113 7 0 "[ . 1 . 2 . 3]" 1
884 1 61 THR MG 1 101 GLY H 5.500 . 5.500 4.452 3.038 5.691 0.191 7 0 "[ . 1 . 2 . 3]" 1
885 1 61 THR H 1 61 THR MG 4.410 . 4.410 2.763 1.850 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 61 THR H 1 62 ASP HA 5.500 . 5.500 5.120 5.016 5.287 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 61 THR H 1 74 SER HA 5.500 . 5.500 4.525 4.180 4.989 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 61 THR H 1 74 SER HB3 5.500 . 5.500 4.709 3.290 5.561 0.061 6 0 "[ . 1 . 2 . 3]" 1
889 1 61 THR H 1 74 SER HB2 5.500 . 5.500 4.148 3.172 5.541 0.041 11 0 "[ . 1 . 2 . 3]" 1
890 1 61 THR H 1 101 GLY HA3 5.500 . 5.500 4.210 3.497 4.798 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 61 THR H 1 101 GLY HA2 5.500 . 5.500 2.777 1.918 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 62 ASP HA 1 127 ASP H 5.500 . 5.500 4.899 4.454 5.221 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 62 ASP HA 1 128 ARG H 5.500 . 5.500 5.637 5.500 5.857 0.357 26 0 "[ . 1 . 2 . 3]" 1
894 1 62 ASP H 1 128 ARG HA 4.820 . 4.820 4.292 3.930 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 63 ARG HA 1 124 LEU QD 5.440 . 5.440 4.338 3.948 4.807 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 63 ARG QB 1 124 LEU MD1 4.500 . 4.500 2.683 2.134 4.085 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 63 ARG H 1 124 LEU HB3 4.500 . 4.500 3.096 2.720 3.401 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 63 ARG H 1 124 LEU HB2 4.500 . 4.500 4.427 3.948 4.696 0.196 25 0 "[ . 1 . 2 . 3]" 1
899 1 63 ARG H 1 124 LEU MD1 4.500 . 4.500 2.711 1.742 3.511 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 64 ILE HA 1 64 ILE MD 4.520 . 4.520 2.096 2.069 2.197 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 64 ILE HA 1 65 GLY H 3.440 . 3.440 3.103 2.981 3.182 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 64 ILE HA 1 66 SER H 5.050 . 5.050 4.354 4.169 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 64 ILE HA 1 69 TYR QD 5.050 . 5.050 5.156 5.073 5.261 0.211 8 0 "[ . 1 . 2 . 3]" 1
904 1 64 ILE HB 1 64 ILE MD 3.520 . 3.520 3.231 3.218 3.242 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 64 ILE HB 1 65 GLY H 4.260 . 4.260 3.787 3.645 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 64 ILE HB 1 66 SER QB 5.340 . 5.340 3.545 2.970 4.662 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 64 ILE MD 1 69 TYR QD 4.400 . 4.400 4.279 3.912 4.494 0.094 2 0 "[ . 1 . 2 . 3]" 1
908 1 64 ILE MD 1 69 TYR QE 4.370 . 4.370 3.862 3.121 4.157 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 64 ILE MD 1 121 ILE MD 3.900 . 3.900 3.830 2.852 4.202 0.302 24 0 "[ . 1 . 2 . 3]" 1
910 1 64 ILE MD 1 121 ILE QG 4.510 . 4.510 3.815 3.051 4.680 0.170 8 0 "[ . 1 . 2 . 3]" 1
911 1 64 ILE MD 1 121 ILE MG 4.260 . 4.260 3.096 2.118 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 64 ILE MD 1 124 LEU HB2 4.980 . 4.980 4.797 4.270 5.067 0.087 29 0 "[ . 1 . 2 . 3]" 1
913 1 64 ILE QG 1 69 TYR QE 5.240 . 5.240 2.481 2.272 2.856 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 64 ILE QG 1 64 ILE MG 3.180 . 3.180 2.257 2.217 2.439 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 64 ILE MG 1 65 GLY HA3 4.450 . 4.450 4.178 4.040 4.253 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 64 ILE MG 1 65 GLY HA2 4.950 . 4.950 5.136 5.055 5.199 0.249 11 0 "[ . 1 . 2 . 3]" 1
917 1 64 ILE MG 1 65 GLY H 3.790 . 3.790 4.092 4.043 4.138 0.348 11 0 "[ . 1 . 2 . 3]" 1
918 1 64 ILE MG 1 66 SER QB 4.230 . 4.230 3.417 2.595 4.108 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 64 ILE MG 1 69 TYR QD 5.300 . 5.300 3.015 2.542 3.679 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 64 ILE MG 1 69 TYR QE 5.300 . 5.300 3.181 2.524 3.714 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 64 ILE H 1 64 ILE HB 3.340 . 3.340 2.586 2.537 2.620 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 64 ILE H 1 64 ILE QG 4.200 . 4.200 2.737 2.635 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 64 ILE H 1 64 ILE MG 3.940 . 3.940 3.847 3.818 3.868 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 64 ILE H 1 65 GLY H 4.660 . 4.660 2.220 2.042 2.449 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 65 GLY H 1 66 SER H 3.740 . 3.740 2.670 2.364 3.374 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 66 SER HA 1 67 ASP HB3 5.500 . 5.500 5.227 4.550 5.669 0.169 8 0 "[ . 1 . 2 . 3]" 1
927 1 66 SER HA 1 67 ASP HB2 5.500 . 5.500 4.588 4.351 5.670 0.170 18 0 "[ . 1 . 2 . 3]" 1
928 1 66 SER HA 1 67 ASP H 3.380 . 3.380 2.173 2.107 2.239 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 66 SER HA 1 69 TYR H 4.860 . 4.860 4.109 3.994 4.234 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 66 SER QB 1 67 ASP H 4.190 . 4.190 3.762 3.492 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 66 SER QB 1 69 TYR QB 3.940 . 3.940 2.015 1.899 2.233 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 66 SER QB 1 69 TYR H 3.960 . 3.960 2.552 2.186 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 66 SER H 1 66 SER QB 3.650 . 3.650 2.592 2.186 3.216 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 66 SER H 1 69 TYR HB3 5.500 . 5.500 3.917 3.592 4.097 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 66 SER H 1 69 TYR HB2 5.500 . 5.500 5.039 4.479 5.504 0.004 21 0 "[ . 1 . 2 . 3]" 1
936 1 67 ASP HB3 1 69 TYR H 5.500 . 5.500 5.313 4.784 5.736 0.236 26 0 "[ . 1 . 2 . 3]" 1
937 1 67 ASP HB2 1 69 TYR H 5.500 . 5.500 5.238 4.868 5.722 0.222 28 0 "[ . 1 . 2 . 3]" 1
938 1 67 ASP H 1 67 ASP QB 3.630 . 3.630 2.364 2.198 2.580 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 67 ASP H 1 68 ALA H 4.230 . 4.230 2.922 2.838 2.982 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 68 ALA H 1 68 ALA MB 3.270 . 3.270 2.221 2.191 2.231 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 68 ALA H 1 69 TYR H 3.700 . 3.700 2.783 2.674 2.866 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 69 TYR HA 1 69 TYR QD 4.330 . 4.330 2.289 2.221 2.362 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 69 TYR HA 1 69 TYR QE 5.240 . 5.240 4.360 4.304 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 69 TYR QB 1 70 ASN H 3.880 . 3.880 2.478 2.340 2.600 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 69 TYR HD1 1 73 LEU MD1 4.500 . 4.500 4.290 4.042 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 69 TYR HD2 1 73 LEU MD1 4.500 . 4.500 2.956 2.805 3.090 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 69 TYR QE 1 73 LEU QB 5.290 . 5.290 4.699 4.590 4.775 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 69 TYR HE1 1 73 LEU MD1 3.550 . 3.550 3.720 3.615 3.805 0.255 19 0 "[ . 1 . 2 . 3]" 1
949 1 69 TYR HE2 1 73 LEU MD1 3.550 . 3.550 2.337 2.257 2.428 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 69 TYR H 1 69 TYR QB 3.460 . 3.460 2.250 2.226 2.274 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 69 TYR H 1 70 ASN H 3.980 . 3.980 2.703 2.582 2.838 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 70 ASN HA 1 71 GLN HA 5.500 . 5.500 4.793 4.750 4.845 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 70 ASN HA 1 73 LEU MD1 4.930 . 4.930 3.017 2.573 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 70 ASN QB 1 71 GLN H 4.360 . 4.360 2.605 2.247 3.362 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 70 ASN QB 1 101 GLY QA 4.160 . 4.160 3.822 3.228 4.308 0.148 24 0 "[ . 1 . 2 . 3]" 1
956 1 70 ASN H 1 71 GLN QB 5.340 . 5.340 4.593 4.397 5.085 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 71 GLN HA 1 101 GLY QA 3.450 . 3.450 3.460 3.190 3.644 0.194 16 0 "[ . 1 . 2 . 3]" 1
958 1 71 GLN HA 1 101 GLY H 5.280 . 5.280 4.365 3.841 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 71 GLN QB 1 73 LEU H 5.340 . 5.340 4.666 4.477 5.193 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 71 GLN H 1 71 GLN QB 3.190 . 3.190 2.329 2.233 2.555 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 71 GLN H 1 71 GLN QG 4.430 . 4.430 2.965 1.860 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 71 GLN H 1 72 GLY H 3.730 . 3.730 2.679 2.575 2.777 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 71 GLN H 1 101 GLY QA 4.880 . 4.880 4.859 4.538 5.093 0.213 21 0 "[ . 1 . 2 . 3]" 1
964 1 72 GLY QA 1 75 GLU HB3 5.340 . 5.340 4.588 4.166 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 72 GLY H 1 73 LEU H 4.810 . 4.810 2.646 2.583 2.741 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 73 LEU HA 1 73 LEU MD1 4.560 . 4.560 3.780 3.766 3.816 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 73 LEU HA 1 73 LEU MD2 3.560 . 3.560 2.148 2.107 2.219 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 73 LEU MD2 1 74 SER H 4.860 . 4.860 4.745 4.670 4.805 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 73 LEU H 1 73 LEU MD2 4.040 . 4.040 3.853 3.594 4.083 0.043 7 0 "[ . 1 . 2 . 3]" 1
970 1 73 LEU H 1 73 LEU HG 4.740 . 4.740 2.688 2.407 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 73 LEU H 1 74 SER H 3.720 . 3.720 2.520 2.445 2.659 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 74 SER HA 1 77 ARG H 5.500 . 5.500 3.738 3.544 3.895 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 74 SER QB 1 75 GLU H 4.030 . 4.030 2.686 2.367 3.396 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 74 SER QB 1 100 MET H 4.520 . 4.520 3.534 2.116 4.573 0.053 13 0 "[ . 1 . 2 . 3]" 1
975 1 74 SER H 1 75 GLU H 4.060 . 4.060 2.663 2.627 2.707 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 75 GLU HA 1 75 GLU QG 3.540 . 3.540 2.330 2.301 2.630 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 75 GLU HA 1 77 ARG H 4.690 . 4.690 4.577 4.414 4.731 0.041 30 0 "[ . 1 . 2 . 3]" 1
978 1 75 GLU HA 1 78 ALA MB 5.500 . 5.500 2.604 2.299 3.110 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 75 GLU HA 1 78 ALA H 3.720 . 3.720 3.654 3.458 3.793 0.073 9 0 "[ . 1 . 2 . 3]" 1
980 1 75 GLU HA 1 98 ARG HA 5.500 . 5.500 4.596 3.781 4.921 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 75 GLU HA 1 99 GLY QA 3.910 . 3.910 3.036 2.629 3.314 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 75 GLU HA 1 99 GLY H 4.320 . 4.320 4.025 3.714 4.389 0.069 23 0 "[ . 1 . 2 . 3]" 1
983 1 75 GLU HB3 1 76 ARG H 3.610 . 3.610 3.527 3.182 3.692 0.082 8 0 "[ . 1 . 2 . 3]" 1
984 1 75 GLU QG 1 99 GLY QA 4.300 . 4.300 2.598 2.371 3.013 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 75 GLU QG 1 99 GLY H 3.720 . 3.720 3.118 2.876 3.621 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 75 GLU QG 1 100 MET H 5.340 . 5.340 5.481 5.367 5.588 0.248 14 0 "[ . 1 . 2 . 3]" 1
987 1 75 GLU H 1 75 GLU HB3 3.400 . 3.400 3.556 3.533 3.570 0.170 16 0 "[ . 1 . 2 . 3]" 1
988 1 75 GLU H 1 75 GLU QG 3.580 . 3.580 2.294 2.206 2.492 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 75 GLU H 1 76 ARG HB3 5.820 . 5.820 5.660 4.961 6.104 0.284 2 0 "[ . 1 . 2 . 3]" 1
990 1 75 GLU H 1 76 ARG H 3.970 . 3.970 2.598 2.476 2.908 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 75 GLU H 1 99 GLY QA 4.680 . 4.680 3.469 3.169 3.956 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 76 ARG HA 1 76 ARG QG 3.720 . 3.720 2.414 2.204 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 76 ARG HA 1 79 GLN QG 4.710 . 4.710 3.806 3.294 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 76 ARG HA 1 79 GLN H 3.790 . 3.790 3.610 3.369 3.817 0.027 18 0 "[ . 1 . 2 . 3]" 1
995 1 76 ARG HA 1 80 SER H 4.690 . 4.690 3.855 3.578 4.165 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 76 ARG HB3 1 77 ARG H 3.670 . 3.670 2.989 2.229 3.812 0.142 4 0 "[ . 1 . 2 . 3]" 1
997 1 76 ARG HB2 1 80 SER H 5.500 . 5.500 5.694 4.960 5.891 0.391 28 0 "[ . 1 . 2 . 3]" 1
998 1 76 ARG QG 1 77 ARG H 4.830 . 4.830 3.969 1.874 4.321 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 76 ARG H 1 76 ARG HB3 3.430 . 3.430 3.243 2.429 3.569 0.139 2 0 "[ . 1 . 2 . 3]" 1
1000 1 76 ARG H 1 76 ARG HD3 5.500 . 5.500 4.617 3.568 5.788 0.288 8 0 "[ . 1 . 2 . 3]" 1
1001 1 76 ARG H 1 76 ARG HD2 5.500 . 5.500 4.603 3.251 5.624 0.124 20 0 "[ . 1 . 2 . 3]" 1
1002 1 76 ARG H 1 76 ARG QG 3.830 . 3.830 2.988 2.154 4.051 0.221 16 0 "[ . 1 . 2 . 3]" 1
1003 1 76 ARG H 1 77 ARG QB 4.970 . 4.970 4.706 4.346 5.076 0.106 17 0 "[ . 1 . 2 . 3]" 1
1004 1 76 ARG H 1 77 ARG H 3.990 . 3.990 2.799 2.733 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 76 ARG H 1 78 ALA H 4.910 . 4.910 4.410 4.062 4.734 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 77 ARG HA 1 80 SER QB 4.370 . 4.370 2.703 2.360 3.668 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 77 ARG HA 1 80 SER H 3.950 . 3.950 3.324 3.153 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 77 ARG QB 1 78 ALA H 3.250 . 3.250 2.483 1.971 3.345 0.095 24 0 "[ . 1 . 2 . 3]" 1
1009 1 77 ARG HG3 1 80 SER H 5.500 . 5.500 5.634 5.353 5.789 0.289 21 0 "[ . 1 . 2 . 3]" 1
1010 1 77 ARG HG2 1 80 SER H 5.500 . 5.500 5.643 5.332 5.773 0.273 26 0 "[ . 1 . 2 . 3]" 1
1011 1 77 ARG H 1 77 ARG QB 3.230 . 3.230 2.351 2.169 2.565 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 77 ARG H 1 78 ALA H 3.870 . 3.870 2.831 2.661 3.063 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 77 ARG H 1 80 SER QB 5.340 . 5.340 4.853 4.444 5.383 0.043 10 0 "[ . 1 . 2 . 3]" 1
1014 1 57 VAL MG1 1 78 ALA HA 2.700 . 2.700 2.650 2.333 2.855 0.155 4 0 "[ . 1 . 2 . 3]" 1
1015 1 78 ALA HA 1 81 VAL MG2 3.070 . 3.070 2.896 2.683 3.081 0.011 6 0 "[ . 1 . 2 . 3]" 1
1016 1 78 ALA HA 1 81 VAL H 4.490 . 4.490 3.621 3.417 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 78 ALA HA 1 82 VAL H 5.500 . 5.500 4.107 3.917 4.270 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 78 ALA MB 1 79 GLN H 3.350 . 3.350 2.641 2.452 2.804 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 78 ALA MB 1 97 ALA HA 3.790 . 3.790 2.981 2.636 3.227 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 78 ALA MB 1 97 ALA MB 2.400 . 2.400 2.442 2.245 2.565 0.165 23 0 "[ . 1 . 2 . 3]" 1
1021 1 78 ALA MB 1 98 ARG HA 3.680 . 3.680 3.812 3.651 3.972 0.292 21 0 "[ . 1 . 2 . 3]" 1
1022 1 78 ALA MB 1 98 ARG H 3.420 . 3.420 2.334 1.874 2.903 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 78 ALA H 1 78 ALA MB 3.230 . 3.230 2.210 2.154 2.247 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 78 ALA H 1 79 GLN H 3.830 . 3.830 2.686 2.577 2.798 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 78 ALA H 1 80 SER H 5.130 . 5.130 4.269 4.095 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 78 ALA H 1 81 VAL MG2 5.040 . 5.040 4.313 4.172 4.539 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 78 ALA H 1 81 VAL H 5.290 . 5.290 4.798 4.633 4.933 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 79 GLN HA 1 79 GLN QE 3.740 . 3.740 2.755 1.815 3.757 0.017 21 0 "[ . 1 . 2 . 3]" 1
1029 1 79 GLN HA 1 82 VAL HB 5.410 . 5.410 2.729 2.540 2.977 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 79 GLN HA 1 82 VAL MG2 4.380 . 4.380 3.716 3.199 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 79 GLN HA 1 82 VAL H 4.110 . 4.110 3.483 3.382 3.607 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 79 GLN HA 1 83 ASP H 4.420 . 4.420 3.621 3.360 3.859 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 79 GLN HA 1 97 ALA MB 5.500 . 5.500 2.399 2.165 2.738 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 79 GLN QB 1 79 GLN QE 3.890 . 3.890 2.938 1.722 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 79 GLN QB 1 80 SER H 3.540 . 3.540 2.520 2.392 2.601 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 79 GLN QB 1 83 ASP H 5.340 . 5.340 4.699 4.212 5.117 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 79 GLN QB 1 97 ALA MB 3.370 . 3.370 3.500 3.120 3.755 0.385 24 0 "[ . 1 . 2 . 3]" 1
1038 1 79 GLN QE 1 83 ASP HA 4.580 . 4.580 4.206 3.487 4.791 0.211 6 0 "[ . 1 . 2 . 3]" 1
1039 1 79 GLN QE 1 83 ASP HB3 5.230 . 5.230 4.627 1.948 5.294 0.064 24 0 "[ . 1 . 2 . 3]" 1
1040 1 79 GLN QE 1 83 ASP H 4.690 . 4.690 3.675 2.980 4.170 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 79 GLN QE 1 97 ALA MB 4.660 . 4.660 3.185 2.227 4.921 0.261 29 0 "[ . 1 . 2 . 3]" 1
1042 1 79 GLN QG 1 80 SER H 3.920 . 3.920 3.918 3.351 4.415 0.495 28 0 "[ . 1 . 2 . 3]" 1
1043 1 79 GLN H 1 79 GLN QB 3.210 . 3.210 2.273 2.088 2.310 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 79 GLN H 1 80 SER H 2.930 . 2.930 2.594 2.526 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 79 GLN H 1 81 VAL MG2 4.470 . 4.470 4.734 4.648 4.823 0.353 8 0 "[ . 1 . 2 . 3]" 1
1046 1 79 GLN H 1 81 VAL H 4.940 . 4.940 3.964 3.854 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 79 GLN H 1 82 VAL H 5.500 . 5.500 4.755 4.610 4.838 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 80 SER HA 1 83 ASP H 4.380 . 4.380 3.731 3.616 4.357 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 80 SER HA 1 84 TYR H 4.570 . 4.570 4.184 4.049 4.314 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 80 SER QB 1 81 VAL MG2 4.050 . 4.050 3.130 2.831 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 80 SER QB 1 81 VAL H 3.550 . 3.550 2.718 2.561 3.418 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 80 SER H 1 80 SER QB 3.490 . 3.490 2.341 2.186 2.544 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 80 SER H 1 81 VAL MG2 3.760 . 3.760 4.009 3.916 4.164 0.404 8 0 "[ . 1 . 2 . 3]" 1
1054 1 80 SER H 1 81 VAL H 3.640 . 3.640 2.680 2.620 2.798 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 80 SER H 1 82 VAL H 4.460 . 4.460 4.413 4.329 4.650 0.190 6 0 "[ . 1 . 2 . 3]" 1
1056 1 80 SER H 1 83 ASP H 5.500 . 5.500 4.737 4.617 5.090 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 80 SER H 1 97 ALA MB 5.340 . 5.340 5.028 4.807 5.301 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 81 VAL HA 1 81 VAL MG1 3.640 . 3.640 2.316 2.263 2.355 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 81 VAL HA 1 81 VAL MG2 3.640 . 3.640 2.399 2.312 2.461 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 81 VAL HA 1 84 TYR H 4.360 . 4.360 3.750 3.658 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 81 VAL HA 1 85 LEU H 5.500 . 5.500 4.238 3.969 4.355 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 81 VAL HB 1 82 VAL H 3.750 . 3.750 2.303 2.075 2.381 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 57 VAL MG1 1 81 VAL MG1 3.000 . 3.000 2.294 2.055 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 57 VAL MG2 1 81 VAL MG1 3.000 . 3.000 2.915 2.640 3.114 0.114 7 0 "[ . 1 . 2 . 3]" 1
1065 1 81 VAL MG1 1 82 VAL H 2.990 . 2.990 3.185 3.077 3.232 0.242 18 0 "[ . 1 . 2 . 3]" 1
1066 1 81 VAL H 1 81 VAL HB 3.680 . 3.680 2.440 2.402 2.515 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 81 VAL H 1 81 VAL MG1 4.350 . 4.350 3.711 3.692 3.740 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 81 VAL H 1 81 VAL MG2 3.350 . 3.350 2.046 1.939 2.213 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 81 VAL H 1 82 VAL H 3.580 . 3.580 2.727 2.688 2.792 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 81 VAL H 1 83 ASP H 5.500 . 5.500 4.158 4.101 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 81 VAL H 1 84 TYR H 5.040 . 5.040 4.809 4.702 4.927 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 57 VAL MG2 1 82 VAL HA 3.200 . 3.200 3.223 3.034 3.317 0.117 16 0 "[ . 1 . 2 . 3]" 1
1073 1 82 VAL HA 1 84 TYR H 5.500 . 5.500 4.174 4.069 4.269 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 82 VAL HA 1 85 LEU MD1 5.440 . 5.440 3.300 3.110 3.413 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 82 VAL HA 1 85 LEU MD2 5.440 . 5.440 4.515 4.443 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 82 VAL HA 1 85 LEU H 5.500 . 5.500 3.011 2.932 3.112 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 82 VAL HB 1 83 ASP H 3.890 . 3.890 2.516 2.380 2.582 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 82 VAL HB 1 84 TYR H 5.500 . 5.500 5.004 4.820 5.081 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 82 VAL HB 1 97 ALA MB 3.400 . 3.400 2.571 2.286 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 82 VAL MG1 1 83 ASP H 3.510 . 3.510 2.950 2.560 3.334 . 0 0 "[ . 1 . 2 . 3]" 1
1081 1 82 VAL MG1 1 95 ILE MD 2.300 . 2.300 1.903 1.865 2.003 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 82 VAL MG1 1 96 SER HA 4.720 . 4.720 4.110 3.896 4.315 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 82 VAL MG1 1 97 ALA MB 3.300 . 3.300 2.967 2.434 3.236 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 82 VAL MG2 1 96 SER HA 4.720 . 4.720 4.023 3.881 4.265 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 82 VAL MG2 1 97 ALA HA 4.410 . 4.410 2.594 2.303 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 82 VAL MG2 1 97 ALA MB 2.800 . 2.800 2.143 1.953 2.211 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 82 VAL MG2 1 97 ALA H 3.580 . 3.580 3.399 3.196 3.610 0.030 28 0 "[ . 1 . 2 . 3]" 1
1088 1 82 VAL H 1 82 VAL HB 3.520 . 3.520 2.316 2.253 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 82 VAL H 1 83 ASP H 3.640 . 3.640 2.760 2.703 3.206 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 82 VAL H 1 85 LEU HB2 5.500 . 5.500 4.437 4.155 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 82 VAL H 1 85 LEU H 5.500 . 5.500 4.477 4.369 4.562 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 82 VAL H 1 97 ALA MB 3.620 . 3.620 3.760 3.619 3.898 0.278 12 0 "[ . 1 . 2 . 3]" 1
1093 1 83 ASP HA 1 86 ILE HB 3.710 . 3.710 3.332 3.243 3.472 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 83 ASP HA 1 86 ILE MD 3.910 . 3.910 2.278 2.238 2.345 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 83 ASP HA 1 86 ILE MG 4.570 . 4.570 4.486 4.390 4.640 0.070 3 0 "[ . 1 . 2 . 3]" 1
1096 1 83 ASP HA 1 86 ILE H 4.220 . 4.220 3.879 3.746 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 83 ASP HA 1 95 ILE MD 5.500 . 5.500 4.800 4.486 4.964 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 83 ASP QB 1 84 TYR H 3.410 . 3.410 2.651 2.439 3.466 0.056 25 0 "[ . 1 . 2 . 3]" 1
1099 1 83 ASP HB2 1 84 TYR QD 5.500 . 5.500 5.639 5.456 5.990 0.490 22 0 "[ . 1 . 2 . 3]" 1
1100 1 83 ASP H 1 83 ASP HB3 3.810 . 3.810 3.443 2.163 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 83 ASP H 1 83 ASP HB2 3.980 . 3.980 2.654 2.482 3.660 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 83 ASP H 1 84 TYR H 3.600 . 3.600 2.878 2.848 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 83 ASP H 1 85 LEU HB2 5.500 . 5.500 5.126 5.039 5.212 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 83 ASP H 1 85 LEU H 4.840 . 4.840 4.035 3.987 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 83 ASP H 1 86 ILE HB 5.500 . 5.500 5.509 5.420 5.637 0.137 3 0 "[ . 1 . 2 . 3]" 1
1106 1 83 ASP H 1 97 ALA MB 4.670 . 4.670 4.535 4.249 4.772 0.102 30 0 "[ . 1 . 2 . 3]" 1
1107 1 84 TYR HA 1 84 TYR QD 4.370 . 4.370 2.634 2.537 2.695 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 84 TYR HA 1 86 ILE H 5.500 . 5.500 3.749 3.501 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 84 TYR HB3 1 85 LEU H 4.170 . 4.170 2.793 2.689 2.876 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 84 TYR HB2 1 85 LEU H 3.970 . 3.970 3.921 3.735 4.019 0.049 23 0 "[ . 1 . 2 . 3]" 1
1111 1 84 TYR QD 1 85 LEU H 5.500 . 5.500 3.892 3.571 4.217 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 84 TYR H 1 84 TYR HB2 3.140 . 3.140 2.575 2.370 2.691 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 84 TYR H 1 84 TYR QD 4.400 . 4.400 4.181 4.068 4.206 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 84 TYR H 1 85 LEU HA 5.310 . 5.310 5.018 4.973 5.086 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 84 TYR H 1 85 LEU HB2 4.780 . 4.780 4.246 4.190 4.324 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 84 TYR H 1 85 LEU H 3.720 . 3.720 2.380 2.325 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 84 TYR H 1 86 ILE HB 5.500 . 5.500 5.129 5.058 5.243 . 0 0 "[ . 1 . 2 . 3]" 1
1118 1 84 TYR H 1 86 ILE MD 5.500 . 5.500 4.953 4.838 5.102 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 84 TYR H 1 86 ILE H 5.460 . 5.460 3.918 3.824 4.047 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 85 LEU HA 1 85 LEU MD1 3.590 . 3.590 3.766 3.744 3.795 0.205 16 0 "[ . 1 . 2 . 3]" 1
1121 1 85 LEU HA 1 85 LEU MD2 3.090 . 3.090 2.202 2.158 2.275 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 85 LEU HA 1 88 LYS QB 5.340 . 5.340 3.615 3.150 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 85 LEU HA 1 88 LYS QG 4.530 . 4.530 2.597 2.172 3.728 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 85 LEU HA 1 88 LYS H 4.110 . 4.110 4.060 3.910 4.181 0.071 13 0 "[ . 1 . 2 . 3]" 1
1125 1 85 LEU HB2 1 86 ILE H 3.790 . 3.790 3.863 3.541 4.075 0.285 9 0 "[ . 1 . 2 . 3]" 1
1126 1 85 LEU HB3 1 86 ILE H 3.990 . 3.990 3.351 2.909 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 45 LEU MD1 1 85 LEU MD1 2.300 . 2.300 2.549 2.386 2.722 0.422 29 0 "[ . 1 . 2 . 3]" 1
1128 1 55 VAL MG1 1 85 LEU MD1 2.800 . 2.800 2.981 2.873 3.096 0.296 10 0 "[ . 1 . 2 . 3]" 1
1129 1 57 VAL MG2 1 85 LEU MD1 2.300 . 2.300 2.622 2.421 2.773 0.473 17 0 "[ . 1 . 2 . 3]" 1
1130 1 85 LEU MD1 1 132 ILE MD 2.300 . 2.300 2.500 2.305 2.779 0.479 17 0 "[ . 1 . 2 . 3]" 1
1131 1 85 LEU MD1 1 132 ILE MG 2.300 . 2.300 2.583 2.417 2.714 0.414 3 0 "[ . 1 . 2 . 3]" 1
1132 1 85 LEU MD2 1 88 LYS QB 4.000 . 4.000 2.809 2.645 2.967 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 85 LEU MD2 1 90 ILE MD 3.000 . 3.000 2.467 2.090 3.486 0.486 17 0 "[ . 1 . 2 . 3]" 1
1134 1 85 LEU H 1 85 LEU HB2 3.480 . 3.480 2.144 2.075 2.180 . 0 0 "[ . 1 . 2 . 3]" 1
1135 1 85 LEU H 1 85 LEU HB3 3.840 . 3.840 2.964 2.888 3.010 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 85 LEU H 1 85 LEU MD1 4.550 . 4.550 4.213 4.109 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 85 LEU H 1 85 LEU MD2 4.050 . 4.050 4.197 4.168 4.241 0.191 9 0 "[ . 1 . 2 . 3]" 1
1138 1 85 LEU H 1 86 ILE HB 5.000 . 5.000 4.663 4.537 4.789 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 85 LEU H 1 86 ILE H 4.060 . 4.060 2.616 2.578 2.658 . 0 0 "[ . 1 . 2 . 3]" 1
1140 1 85 LEU H 1 87 SER H 5.500 . 5.500 4.640 4.348 4.859 . 0 0 "[ . 1 . 2 . 3]" 1
1141 1 86 ILE HA 1 86 ILE MD 4.120 . 4.120 3.795 3.748 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 86 ILE HA 1 88 LYS H 5.500 . 5.500 3.411 3.347 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 86 ILE HA 1 90 ILE H 3.710 . 3.710 3.089 2.812 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 86 ILE HA 1 92 ALA MB 5.190 . 5.190 4.917 4.558 5.110 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 86 ILE HA 1 92 ALA H 5.500 . 5.500 5.578 5.317 5.672 0.172 17 0 "[ . 1 . 2 . 3]" 1
1146 1 86 ILE HB 1 86 ILE MD 3.390 . 3.390 2.298 2.221 2.359 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 86 ILE HB 1 87 SER H 3.540 . 3.540 2.394 2.285 2.513 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 86 ILE HB 1 88 LYS H 5.500 . 5.500 4.521 4.464 4.593 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 86 ILE MD 1 92 ALA HA 3.910 . 3.910 2.772 2.511 3.278 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 86 ILE MD 1 92 ALA MB 3.270 . 3.270 2.080 1.926 2.374 . 0 0 "[ . 1 . 2 . 3]" 1
1151 1 86 ILE MD 1 95 ILE MD 2.300 . 2.300 2.205 2.151 2.384 0.084 9 0 "[ . 1 . 2 . 3]" 1
1152 1 86 ILE MG 1 87 SER HA 3.770 . 3.770 3.084 2.950 3.239 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 86 ILE MG 1 87 SER H 3.810 . 3.810 2.942 2.662 3.234 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 86 ILE MG 1 91 PRO HA 5.500 . 5.500 4.167 3.936 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 86 ILE MG 1 92 ALA HA 4.310 . 4.310 3.732 3.477 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
1156 1 86 ILE MG 1 92 ALA MB 3.110 . 3.110 2.630 2.228 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
1157 1 86 ILE MG 1 92 ALA H 3.840 . 3.840 3.555 3.295 3.905 0.065 9 0 "[ . 1 . 2 . 3]" 1
1158 1 86 ILE H 1 86 ILE HB 3.300 . 3.300 2.322 2.243 2.439 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 86 ILE H 1 86 ILE MD 3.530 . 3.530 3.532 3.407 3.646 0.116 9 0 "[ . 1 . 2 . 3]" 1
1160 1 86 ILE H 1 87 SER H 3.760 . 3.760 2.579 2.456 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
1161 1 86 ILE H 1 88 LYS H 5.500 . 5.500 3.791 3.636 3.964 . 0 0 "[ . 1 . 2 . 3]" 1
1162 1 86 ILE H 1 90 ILE H 5.500 . 5.500 5.634 5.452 5.793 0.293 2 0 "[ . 1 . 2 . 3]" 1
1163 1 87 SER HA 1 89 GLY H 5.500 . 5.500 3.379 3.221 3.506 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 87 SER HB3 1 88 LYS H 4.730 . 4.730 4.048 3.345 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
1165 1 87 SER HB2 1 88 LYS H 4.730 . 4.730 3.930 3.325 4.391 . 0 0 "[ . 1 . 2 . 3]" 1
1166 1 87 SER H 1 87 SER QB 3.160 . 3.160 2.419 2.220 2.689 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 87 SER H 1 88 LYS H 4.080 . 4.080 2.823 2.701 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
1168 1 87 SER H 1 90 ILE H 5.500 . 5.500 5.237 5.110 5.572 0.072 2 0 "[ . 1 . 2 . 3]" 1
1169 1 88 LYS HA 1 88 LYS QD 3.830 . 3.830 2.320 2.081 3.839 0.009 16 0 "[ . 1 . 2 . 3]" 1
1170 1 88 LYS QB 1 89 GLY H 3.980 . 3.980 3.293 3.122 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
1171 1 88 LYS QB 1 90 ILE H 4.190 . 4.190 3.800 2.850 4.077 . 0 0 "[ . 1 . 2 . 3]" 1
1172 1 88 LYS H 1 88 LYS QB 3.260 . 3.260 2.398 2.089 2.602 . 0 0 "[ . 1 . 2 . 3]" 1
1173 1 88 LYS H 1 88 LYS HG3 4.220 . 4.220 3.582 2.503 4.157 . 0 0 "[ . 1 . 2 . 3]" 1
1174 1 88 LYS H 1 88 LYS HG2 4.220 . 4.220 2.594 1.972 4.238 0.018 22 0 "[ . 1 . 2 . 3]" 1
1175 1 88 LYS H 1 89 GLY QA 5.340 . 5.340 4.444 4.387 4.477 . 0 0 "[ . 1 . 2 . 3]" 1
1176 1 88 LYS H 1 89 GLY H 3.500 . 3.500 2.489 2.409 2.629 . 0 0 "[ . 1 . 2 . 3]" 1
1177 1 88 LYS H 1 90 ILE HB 5.500 . 5.500 4.386 4.055 4.698 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 88 LYS H 1 90 ILE H 4.770 . 4.770 3.680 3.289 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
1179 1 89 GLY H 1 90 ILE HB 4.280 . 4.280 4.103 3.964 4.400 0.120 9 0 "[ . 1 . 2 . 3]" 1
1180 1 89 GLY H 1 90 ILE MD 5.500 . 5.500 5.427 4.559 5.751 0.251 16 0 "[ . 1 . 2 . 3]" 1
1181 1 89 GLY H 1 90 ILE MG 5.170 . 5.170 4.964 4.261 5.347 0.177 27 0 "[ . 1 . 2 . 3]" 1
1182 1 89 GLY H 1 90 ILE H 3.430 . 3.430 2.233 2.085 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
1183 1 90 ILE HA 1 90 ILE MD 3.820 . 3.820 3.604 2.154 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
1184 1 90 ILE HB 1 90 ILE MD 3.310 . 3.310 2.254 2.221 2.389 . 0 0 "[ . 1 . 2 . 3]" 1
1185 1 90 ILE MD 1 91 PRO QD 4.040 . 4.040 4.051 3.095 4.289 0.249 1 0 "[ . 1 . 2 . 3]" 1
1186 1 90 ILE MD 1 94 LYS QB 5.130 . 5.130 4.487 4.050 5.089 . 0 0 "[ . 1 . 2 . 3]" 1
1187 1 90 ILE MD 1 94 LYS QE 4.560 . 4.560 3.348 2.255 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
1188 1 90 ILE QG 1 90 ILE MG 3.070 . 3.070 2.244 2.045 2.286 . 0 0 "[ . 1 . 2 . 3]" 1
1189 1 90 ILE MG 1 91 PRO HA 4.730 . 4.730 4.085 3.920 4.325 . 0 0 "[ . 1 . 2 . 3]" 1
1190 1 90 ILE MG 1 91 PRO HB2 5.230 . 5.230 4.008 3.781 4.737 . 0 0 "[ . 1 . 2 . 3]" 1
1191 1 90 ILE MG 1 94 LYS QE 4.440 . 4.440 3.766 2.736 4.563 0.123 9 0 "[ . 1 . 2 . 3]" 1
1192 1 90 ILE MG 1 95 ILE HA 5.500 . 5.500 4.702 4.480 5.017 . 0 0 "[ . 1 . 2 . 3]" 1
1193 1 90 ILE H 1 90 ILE HB 3.260 . 3.260 2.520 2.156 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
1194 1 90 ILE H 1 90 ILE MG 3.300 . 3.300 3.335 2.575 3.526 0.226 23 0 "[ . 1 . 2 . 3]" 1
1195 1 90 ILE H 1 91 PRO QD 4.820 . 4.820 4.238 4.136 4.401 . 0 0 "[ . 1 . 2 . 3]" 1
1196 1 91 PRO HA 1 92 ALA MB 4.080 . 4.080 4.025 3.980 4.055 . 0 0 "[ . 1 . 2 . 3]" 1
1197 1 91 PRO HA 1 92 ALA H 2.980 . 2.980 2.186 2.144 2.218 . 0 0 "[ . 1 . 2 . 3]" 1
1198 1 91 PRO HA 1 93 ASP H 4.220 . 4.220 3.502 3.439 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
1199 1 91 PRO HA 1 95 ILE MD 5.500 . 5.500 4.985 4.887 5.067 . 0 0 "[ . 1 . 2 . 3]" 1
1200 1 91 PRO HB3 1 92 ALA H 3.730 . 3.730 3.656 3.507 3.960 0.230 25 0 "[ . 1 . 2 . 3]" 1
1201 1 91 PRO HB3 1 93 ASP H 3.870 . 3.870 3.214 3.106 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
1202 1 91 PRO HB3 1 94 LYS H 3.610 . 3.610 3.704 3.595 4.155 0.545 10 1 "[ . + . 2 . 3]" 1
1203 1 91 PRO HB2 1 92 ALA H 4.230 . 4.230 3.944 3.520 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
1204 1 91 PRO HB2 1 93 ASP H 4.130 . 4.130 2.878 2.360 3.072 . 0 0 "[ . 1 . 2 . 3]" 1
1205 1 91 PRO HB2 1 94 LYS H 5.340 . 5.340 2.308 2.236 2.428 . 0 0 "[ . 1 . 2 . 3]" 1
1206 1 92 ALA HA 1 94 LYS H 5.010 . 5.010 4.007 3.921 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
1207 1 92 ALA HA 1 95 ILE MD 4.020 . 4.020 2.012 1.990 2.056 . 0 0 "[ . 1 . 2 . 3]" 1
1208 1 92 ALA HA 1 95 ILE H 5.340 . 5.340 3.631 3.522 3.747 . 0 0 "[ . 1 . 2 . 3]" 1
1209 1 92 ALA MB 1 93 ASP HA 5.360 . 5.360 3.970 3.913 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
1210 1 92 ALA MB 1 93 ASP H 3.390 . 3.390 3.109 2.990 3.201 . 0 0 "[ . 1 . 2 . 3]" 1
1211 1 92 ALA MB 1 94 LYS H 4.340 . 4.340 4.603 4.527 4.697 0.357 14 0 "[ . 1 . 2 . 3]" 1
1212 1 92 ALA H 1 92 ALA MB 2.980 . 2.980 2.217 2.177 2.237 . 0 0 "[ . 1 . 2 . 3]" 1
1213 1 92 ALA H 1 93 ASP HA 5.500 . 5.500 5.173 5.130 5.210 . 0 0 "[ . 1 . 2 . 3]" 1
1214 1 92 ALA H 1 93 ASP H 3.030 . 3.030 2.617 2.563 2.649 . 0 0 "[ . 1 . 2 . 3]" 1
1215 1 92 ALA H 1 94 LYS H 4.360 . 4.360 4.236 4.178 4.307 . 0 0 "[ . 1 . 2 . 3]" 1
1216 1 93 ASP HA 1 94 LYS H 3.520 . 3.520 3.456 3.429 3.508 . 0 0 "[ . 1 . 2 . 3]" 1
1217 1 93 ASP HA 1 95 ILE MD 5.070 . 5.070 5.333 5.217 5.425 0.355 9 0 "[ . 1 . 2 . 3]" 1
1218 1 93 ASP HA 1 95 ILE H 4.640 . 4.640 3.915 3.834 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
1219 1 93 ASP QB 1 94 LYS H 4.260 . 4.260 3.090 2.845 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
1220 1 93 ASP H 1 93 ASP QB 3.240 . 3.240 2.444 2.312 2.818 . 0 0 "[ . 1 . 2 . 3]" 1
1221 1 93 ASP H 1 94 LYS QB 4.090 . 4.090 4.030 3.978 4.098 0.008 9 0 "[ . 1 . 2 . 3]" 1
1222 1 93 ASP H 1 94 LYS H 3.480 . 3.480 2.231 2.184 2.316 . 0 0 "[ . 1 . 2 . 3]" 1
1223 1 93 ASP H 1 95 ILE MD 4.310 . 4.310 4.494 4.427 4.563 0.253 9 0 "[ . 1 . 2 . 3]" 1
1224 1 93 ASP H 1 95 ILE H 4.240 . 4.240 3.829 3.750 3.939 . 0 0 "[ . 1 . 2 . 3]" 1
1225 1 94 LYS HA 1 94 LYS QG 3.570 . 3.570 2.285 2.220 2.359 . 0 0 "[ . 1 . 2 . 3]" 1
1226 1 94 LYS QB 1 94 LYS QG 2.340 . 2.340 2.102 2.060 2.110 . 0 0 "[ . 1 . 2 . 3]" 1
1227 1 94 LYS QB 1 95 ILE MD 4.260 . 4.260 4.310 4.231 4.425 0.165 10 0 "[ . 1 . 2 . 3]" 1
1228 1 94 LYS QB 1 95 ILE H 3.840 . 3.840 2.976 2.832 3.055 . 0 0 "[ . 1 . 2 . 3]" 1
1229 1 94 LYS QG 1 95 ILE MG 3.530 . 3.530 3.568 3.358 3.965 0.435 18 0 "[ . 1 . 2 . 3]" 1
1230 1 94 LYS H 1 94 LYS HB3 3.590 . 3.590 2.622 2.518 2.724 . 0 0 "[ . 1 . 2 . 3]" 1
1231 1 94 LYS H 1 94 LYS HB2 3.590 . 3.590 2.529 2.468 2.629 . 0 0 "[ . 1 . 2 . 3]" 1
1232 1 94 LYS H 1 95 ILE MD 4.290 . 4.290 4.284 4.171 4.354 0.064 30 0 "[ . 1 . 2 . 3]" 1
1233 1 94 LYS H 1 95 ILE MG 4.150 . 4.150 3.628 3.505 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
1234 1 94 LYS H 1 95 ILE H 3.230 . 3.230 2.389 2.302 2.455 . 0 0 "[ . 1 . 2 . 3]" 1
1235 1 94 LYS QZ 1 95 ILE HA 3.790 . 3.790 3.597 3.100 3.892 0.102 18 0 "[ . 1 . 2 . 3]" 1
1236 1 95 ILE HA 1 96 SER H 3.370 . 3.370 2.678 2.603 2.747 . 0 0 "[ . 1 . 2 . 3]" 1
1237 1 95 ILE HB 1 96 SER H 3.570 . 3.570 2.092 2.010 2.189 . 0 0 "[ . 1 . 2 . 3]" 1
1238 1 95 ILE MD 1 96 SER HA 5.040 . 5.040 4.828 4.763 4.900 . 0 0 "[ . 1 . 2 . 3]" 1
1239 1 95 ILE QG 1 96 SER H 4.840 . 4.840 2.761 2.596 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
1240 1 95 ILE H 1 95 ILE HB 3.810 . 3.810 3.657 3.628 3.675 . 0 0 "[ . 1 . 2 . 3]" 1
1241 1 95 ILE H 1 95 ILE MD 3.030 . 3.030 3.209 3.174 3.249 0.219 26 0 "[ . 1 . 2 . 3]" 1
1242 1 95 ILE H 1 95 ILE QG 4.580 . 4.580 1.914 1.813 2.000 . 0 0 "[ . 1 . 2 . 3]" 1
1243 1 95 ILE H 1 95 ILE MG 3.230 . 3.230 2.406 2.329 2.492 . 0 0 "[ . 1 . 2 . 3]" 1
1244 1 95 ILE H 1 96 SER H 5.500 . 5.500 4.431 4.391 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
1245 1 96 SER HA 1 97 ALA HA 5.500 . 5.500 4.425 4.412 4.443 . 0 0 "[ . 1 . 2 . 3]" 1
1246 1 96 SER HA 1 97 ALA MB 4.430 . 4.430 4.004 3.935 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
1247 1 96 SER HA 1 97 ALA H 3.030 . 3.030 2.202 2.166 2.242 . 0 0 "[ . 1 . 2 . 3]" 1
1248 1 96 SER H 1 96 SER QB 3.650 . 3.650 2.911 2.865 3.173 . 0 0 "[ . 1 . 2 . 3]" 1
1249 1 97 ALA HA 1 98 ARG H 3.250 . 3.250 2.215 2.102 2.332 . 0 0 "[ . 1 . 2 . 3]" 1
1250 1 97 ALA MB 1 98 ARG H 3.360 . 3.360 3.029 2.582 3.417 0.057 21 0 "[ . 1 . 2 . 3]" 1
1251 1 97 ALA MB 1 99 GLY QA 5.340 . 5.340 5.363 5.192 5.616 0.276 4 0 "[ . 1 . 2 . 3]" 1
1252 1 97 ALA MB 1 99 GLY H 5.500 . 5.500 5.354 5.041 5.657 0.157 23 0 "[ . 1 . 2 . 3]" 1
1253 1 97 ALA H 1 97 ALA MB 3.250 . 3.250 2.324 2.226 2.478 . 0 0 "[ . 1 . 2 . 3]" 1
1254 1 97 ALA H 1 98 ARG H 4.600 . 4.600 4.428 4.229 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
1255 1 98 ARG HA 1 98 ARG QD 4.330 . 4.330 3.947 3.412 4.418 0.088 4 0 "[ . 1 . 2 . 3]" 1
1256 1 98 ARG HA 1 98 ARG QG 3.640 . 3.640 2.343 2.220 3.252 . 0 0 "[ . 1 . 2 . 3]" 1
1257 1 98 ARG HA 1 99 GLY H 3.120 . 3.120 2.206 2.120 2.406 . 0 0 "[ . 1 . 2 . 3]" 1
1258 1 98 ARG HB3 1 98 ARG QD 2.920 . 2.920 2.439 2.213 3.078 0.158 10 0 "[ . 1 . 2 . 3]" 1
1259 1 98 ARG HB2 1 99 GLY H 4.000 . 4.000 3.991 2.308 4.171 0.171 15 0 "[ . 1 . 2 . 3]" 1
1260 1 98 ARG HD3 1 99 GLY H 5.500 . 5.500 4.480 2.604 5.010 . 0 0 "[ . 1 . 2 . 3]" 1
1261 1 98 ARG HD2 1 99 GLY H 5.500 . 5.500 4.899 4.061 5.599 0.099 4 0 "[ . 1 . 2 . 3]" 1
1262 1 98 ARG QG 1 99 GLY H 3.720 . 3.720 2.257 1.918 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
1263 1 98 ARG QG 1 100 MET H 5.340 . 5.340 4.138 3.320 5.149 . 0 0 "[ . 1 . 2 . 3]" 1
1264 1 98 ARG H 1 98 ARG HB3 3.710 . 3.710 2.896 2.589 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
1265 1 98 ARG H 1 98 ARG HB2 4.120 . 4.120 3.180 2.807 4.041 . 0 0 "[ . 1 . 2 . 3]" 1
1266 1 98 ARG H 1 99 GLY H 4.880 . 4.880 4.361 4.220 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
1267 1 99 GLY H 1 100 MET H 5.500 . 5.500 4.164 3.898 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
1268 1 100 MET HA 1 101 GLY QA 4.560 . 4.560 4.299 4.152 4.379 . 0 0 "[ . 1 . 2 . 3]" 1
1269 1 100 MET HB3 1 101 GLY H 5.500 . 5.500 3.824 3.259 4.625 . 0 0 "[ . 1 . 2 . 3]" 1
1270 1 100 MET HB2 1 101 GLY H 5.500 . 5.500 4.049 3.641 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
1271 1 100 MET H 1 100 MET QB 3.600 . 3.600 2.335 2.076 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
1272 1 100 MET H 1 101 GLY H 4.710 . 4.710 2.517 1.871 3.041 . 0 0 "[ . 1 . 2 . 3]" 1
1273 1 102 GLU QB 1 103 SER HA 4.510 . 4.510 4.595 4.396 4.773 0.263 27 0 "[ . 1 . 2 . 3]" 1
1274 1 102 GLU QB 1 103 SER QB 5.530 . 5.530 5.343 5.093 5.534 0.004 27 0 "[ . 1 . 2 . 3]" 1
1275 1 102 GLU HB3 1 104 ASN H 5.500 . 5.500 4.732 3.583 5.682 0.182 10 0 "[ . 1 . 2 . 3]" 1
1276 1 102 GLU HB2 1 104 ASN H 5.500 . 5.500 4.466 3.658 5.616 0.116 17 0 "[ . 1 . 2 . 3]" 1
1277 1 102 GLU H 1 102 GLU QB 3.530 . 3.530 3.037 2.581 3.276 . 0 0 "[ . 1 . 2 . 3]" 1
1278 1 102 GLU H 1 103 SER H 4.730 . 4.730 3.248 2.823 3.483 . 0 0 "[ . 1 . 2 . 3]" 1
1279 1 103 SER HA 1 104 ASN H 3.130 . 3.130 3.342 3.196 3.516 0.386 10 0 "[ . 1 . 2 . 3]" 1
1280 1 103 SER H 1 103 SER QB 3.610 . 3.610 2.351 2.144 2.676 . 0 0 "[ . 1 . 2 . 3]" 1
1281 1 103 SER H 1 104 ASN H 4.830 . 4.830 2.482 2.354 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
1282 1 104 ASN HA 1 105 PRO QB 5.230 . 5.230 4.817 4.663 4.993 . 0 0 "[ . 1 . 2 . 3]" 1
1283 1 104 ASN HA 1 105 PRO QG 4.080 . 4.080 4.091 3.918 4.150 0.070 13 0 "[ . 1 . 2 . 3]" 1
1284 1 104 ASN QB 1 106 VAL MG1 3.820 . 3.820 3.835 3.413 4.113 0.293 10 0 "[ . 1 . 2 . 3]" 1
1285 1 104 ASN H 1 105 PRO QB 5.340 . 5.340 4.891 4.316 5.569 0.229 27 0 "[ . 1 . 2 . 3]" 1
1286 1 104 ASN H 1 105 PRO QG 4.580 . 4.580 4.363 3.819 4.867 0.287 29 0 "[ . 1 . 2 . 3]" 1
1287 1 105 PRO HA 1 106 VAL MG1 5.500 . 5.500 3.698 3.492 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
1288 1 105 PRO HA 1 106 VAL MG2 5.500 . 5.500 3.680 3.478 3.917 . 0 0 "[ . 1 . 2 . 3]" 1
1289 1 105 PRO HA 1 107 THR H 4.670 . 4.670 3.654 3.313 4.396 . 0 0 "[ . 1 . 2 . 3]" 1
1290 1 105 PRO QB 1 107 THR H 5.340 . 5.340 3.751 3.282 4.201 . 0 0 "[ . 1 . 2 . 3]" 1
1291 1 105 PRO QB 1 108 GLY H 4.560 . 4.560 2.643 2.315 3.177 . 0 0 "[ . 1 . 2 . 3]" 1
1292 1 106 VAL HA 1 106 VAL MG1 3.700 . 3.700 2.399 2.232 2.456 . 0 0 "[ . 1 . 2 . 3]" 1
1293 1 106 VAL HA 1 106 VAL MG2 3.700 . 3.700 3.196 3.190 3.213 . 0 0 "[ . 1 . 2 . 3]" 1
1294 1 106 VAL HB 1 107 THR HA 5.500 . 5.500 4.570 4.263 4.744 . 0 0 "[ . 1 . 2 . 3]" 1
1295 1 106 VAL HB 1 107 THR H 4.320 . 4.320 3.804 3.294 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
1296 1 106 VAL MG1 1 107 THR H 4.120 . 4.120 3.784 3.632 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
1297 1 106 VAL MG1 1 126 PRO HB3 5.290 . 5.290 5.353 4.725 5.581 0.291 7 0 "[ . 1 . 2 . 3]" 1
1298 1 106 VAL MG2 1 107 THR HA 4.250 . 4.250 3.125 2.993 3.421 . 0 0 "[ . 1 . 2 . 3]" 1
1299 1 106 VAL MG2 1 107 THR MG 3.270 . 3.270 2.199 2.002 2.614 . 0 0 "[ . 1 . 2 . 3]" 1
1300 1 106 VAL MG2 1 107 THR H 4.120 . 4.120 2.003 1.745 2.422 . 0 0 "[ . 1 . 2 . 3]" 1
1301 1 106 VAL MG2 1 126 PRO HA 5.410 . 5.410 4.428 4.158 4.781 . 0 0 "[ . 1 . 2 . 3]" 1
1302 1 106 VAL MG2 1 126 PRO HB3 4.290 . 4.290 3.447 3.058 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
1303 1 106 VAL MG2 1 127 ASP HA 3.460 . 3.460 3.349 2.898 3.598 0.138 12 0 "[ . 1 . 2 . 3]" 1
1304 1 106 VAL MG2 1 127 ASP QB 3.750 . 3.750 3.736 2.951 4.240 0.490 26 0 "[ . 1 . 2 . 3]" 1
1305 1 106 VAL MG2 1 127 ASP H 4.670 . 4.670 4.482 4.071 4.708 0.038 7 0 "[ . 1 . 2 . 3]" 1
1306 1 106 VAL H 1 106 VAL MG1 3.750 . 3.750 2.075 1.865 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
1307 1 106 VAL H 1 106 VAL MG2 4.750 . 4.750 1.959 1.767 2.157 . 0 0 "[ . 1 . 2 . 3]" 1
1308 1 106 VAL H 1 107 THR MG 5.470 . 5.470 3.602 2.992 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
1309 1 106 VAL H 1 107 THR H 3.870 . 3.870 2.485 2.163 2.651 . 0 0 "[ . 1 . 2 . 3]" 1
1310 1 107 THR HA 1 107 THR HB 2.970 . 2.970 2.389 2.274 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
1311 1 107 THR HA 1 107 THR MG 3.620 . 3.620 2.514 2.242 3.115 . 0 0 "[ . 1 . 2 . 3]" 1
1312 1 107 THR HA 1 124 LEU QD 5.050 . 5.050 4.425 4.016 4.882 . 0 0 "[ . 1 . 2 . 3]" 1
1313 1 107 THR HA 1 126 PRO QG 5.350 . 5.350 4.431 3.035 5.368 0.018 4 0 "[ . 1 . 2 . 3]" 1
1314 1 107 THR HB 1 108 GLY H 4.660 . 4.660 3.729 3.360 4.082 . 0 0 "[ . 1 . 2 . 3]" 1
1315 1 107 THR HB 1 110 THR MG 4.500 . 4.500 4.578 3.833 4.821 0.321 4 0 "[ . 1 . 2 . 3]" 1
1316 1 107 THR MG 1 108 GLY H 5.480 . 5.480 3.489 1.961 4.030 . 0 0 "[ . 1 . 2 . 3]" 1
1317 1 107 THR MG 1 124 LEU HA 3.460 . 3.460 2.211 2.045 2.621 . 0 0 "[ . 1 . 2 . 3]" 1
1318 1 107 THR MG 1 124 LEU QD 3.720 . 3.720 2.394 1.980 3.190 . 0 0 "[ . 1 . 2 . 3]" 1
1319 1 107 THR MG 1 124 LEU H 4.770 . 4.770 4.467 3.587 4.844 0.074 12 0 "[ . 1 . 2 . 3]" 1
1320 1 107 THR MG 1 126 PRO HB2 4.680 . 4.680 2.735 2.044 4.753 0.073 6 0 "[ . 1 . 2 . 3]" 1
1321 1 107 THR MG 1 126 PRO HD3 5.220 . 5.220 4.022 3.441 5.263 0.043 24 0 "[ . 1 . 2 . 3]" 1
1322 1 107 THR MG 1 126 PRO HD2 4.620 . 4.620 2.579 2.038 4.052 . 0 0 "[ . 1 . 2 . 3]" 1
1323 1 107 THR MG 1 126 PRO QG 3.750 . 3.750 2.955 2.309 3.811 0.061 7 0 "[ . 1 . 2 . 3]" 1
1324 1 107 THR MG 1 127 ASP H 4.240 . 4.240 3.581 2.933 4.449 0.209 4 0 "[ . 1 . 2 . 3]" 1
1325 1 107 THR H 1 107 THR MG 3.910 . 3.910 1.914 1.616 2.470 . 0 0 "[ . 1 . 2 . 3]" 1
1326 1 107 THR H 1 108 GLY H 4.560 . 4.560 2.736 2.688 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
1327 1 108 GLY QA 1 124 LEU MD2 4.500 . 4.500 4.260 3.310 4.674 0.174 4 0 "[ . 1 . 2 . 3]" 1
1328 1 108 GLY H 1 109 ASN H 5.500 . 5.500 2.938 2.869 3.524 . 0 0 "[ . 1 . 2 . 3]" 1
1329 1 108 GLY H 1 110 THR H 5.500 . 5.500 4.758 4.383 4.958 . 0 0 "[ . 1 . 2 . 3]" 1
1330 1 109 ASN HA 1 112 ASP QB 5.000 . 5.000 2.559 2.281 3.770 . 0 0 "[ . 1 . 2 . 3]" 1
1331 1 109 ASN HB3 1 110 THR H 5.500 . 5.500 2.712 2.059 3.506 . 0 0 "[ . 1 . 2 . 3]" 1
1332 1 109 ASN HB2 1 110 THR H 5.500 . 5.500 2.912 2.132 3.680 . 0 0 "[ . 1 . 2 . 3]" 1
1333 1 106 VAL HA 1 109 ASN H 4.000 . 4.000 4.111 4.015 4.483 0.483 7 0 "[ . 1 . 2 . 3]" 1
1334 1 109 ASN H 1 110 THR H 5.500 . 5.500 2.323 2.080 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
1335 1 110 THR HA 1 110 THR MG 3.380 . 3.380 2.729 2.499 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
1336 1 110 THR HB 1 111 CYS H 4.790 . 4.790 3.578 2.551 4.584 . 0 0 "[ . 1 . 2 . 3]" 1
1337 1 110 THR MG 1 111 CYS H 5.100 . 5.100 3.243 2.756 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
1338 1 110 THR H 1 110 THR HB 3.850 . 3.850 2.644 2.232 3.547 . 0 0 "[ . 1 . 2 . 3]" 1
1339 1 110 THR H 1 110 THR MG 3.840 . 3.840 2.884 1.673 3.735 . 0 0 "[ . 1 . 2 . 3]" 1
1340 1 110 THR H 1 111 CYS QB 5.340 . 5.340 4.577 4.139 5.113 . 0 0 "[ . 1 . 2 . 3]" 1
1341 1 111 CYS HA 1 123 CYS HB3 5.400 . 5.400 5.096 4.289 5.592 0.192 2 0 "[ . 1 . 2 . 3]" 1
1342 1 111 CYS HA 1 123 CYS HB2 5.500 . 5.500 5.414 4.679 5.810 0.310 21 0 "[ . 1 . 2 . 3]" 1
1343 1 111 CYS QB 1 112 ASP H 3.920 . 3.920 3.745 3.622 3.857 . 0 0 "[ . 1 . 2 . 3]" 1
1344 1 111 CYS QB 1 120 LEU MD2 4.070 . 4.070 3.356 2.658 4.335 0.265 24 0 "[ . 1 . 2 . 3]" 1
1345 1 111 CYS QB 1 123 CYS HB2 5.340 . 5.340 3.898 3.285 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
1346 1 111 CYS QB 1 124 LEU MD2 3.930 . 3.930 3.813 3.082 4.293 0.363 6 0 "[ . 1 . 2 . 3]" 1
1347 1 111 CYS H 1 111 CYS QB 3.390 . 3.390 2.509 2.205 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
1348 1 112 ASP H 1 112 ASP QB 3.280 . 3.280 2.403 2.235 2.655 . 0 0 "[ . 1 . 2 . 3]" 1
1349 1 114 VAL MG1 1 116 GLN H 3.550 . 3.550 2.061 1.819 2.586 . 0 0 "[ . 1 . 2 . 3]" 1
1350 1 111 CYS HB3 1 114 VAL MG2 3.500 . 3.500 2.929 2.137 3.574 0.074 2 0 "[ . 1 . 2 . 3]" 1
1351 1 111 CYS HB2 1 114 VAL MG2 4.000 . 4.000 3.972 3.468 4.163 0.163 30 0 "[ . 1 . 2 . 3]" 1
1352 1 114 VAL MG2 1 116 GLN H 5.350 . 5.350 4.619 4.473 4.859 . 0 0 "[ . 1 . 2 . 3]" 1
1353 1 115 LYS HA 1 115 LYS HG3 3.660 . 3.660 2.958 2.303 3.732 0.072 4 0 "[ . 1 . 2 . 3]" 1
1354 1 115 LYS HA 1 115 LYS HG2 3.660 . 3.660 2.937 2.335 3.709 0.049 13 0 "[ . 1 . 2 . 3]" 1
1355 1 115 LYS HA 1 116 GLN H 3.560 . 3.560 3.176 3.113 3.243 . 0 0 "[ . 1 . 2 . 3]" 1
1356 1 115 LYS HA 1 120 LEU MD1 3.640 . 3.640 2.905 2.441 3.410 . 0 0 "[ . 1 . 2 . 3]" 1
1357 1 115 LYS QB 1 116 GLN H 4.470 . 4.470 3.628 3.452 3.974 . 0 0 "[ . 1 . 2 . 3]" 1
1358 1 115 LYS H 1 115 LYS QB 3.570 . 3.570 2.579 2.373 2.972 . 0 0 "[ . 1 . 2 . 3]" 1
1359 1 115 LYS H 1 115 LYS QG 4.650 . 4.650 3.098 1.919 4.191 . 0 0 "[ . 1 . 2 . 3]" 1
1360 1 115 LYS H 1 116 GLN H 3.900 . 3.900 2.176 2.063 2.302 . 0 0 "[ . 1 . 2 . 3]" 1
1361 1 115 LYS H 1 120 LEU MD1 4.500 . 4.500 4.497 3.641 4.750 0.250 13 0 "[ . 1 . 2 . 3]" 1
1362 1 115 LYS H 1 120 LEU MD2 4.500 . 4.500 4.645 4.530 4.899 0.399 22 0 "[ . 1 . 2 . 3]" 1
1363 1 116 GLN HA 1 116 GLN QG 3.210 . 3.210 2.321 2.178 3.325 0.115 21 0 "[ . 1 . 2 . 3]" 1
1364 1 116 GLN HA 1 118 ALA H 5.500 . 5.500 4.784 4.164 5.296 . 0 0 "[ . 1 . 2 . 3]" 1
1365 1 116 GLN HB3 1 119 ALA MB 3.450 . 3.450 2.252 2.081 3.502 0.052 21 0 "[ . 1 . 2 . 3]" 1
1366 1 116 GLN HB3 1 119 ALA H 5.040 . 5.040 2.339 1.982 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
1367 1 114 VAL MG1 1 116 GLN HB2 4.230 . 4.230 2.949 2.529 3.511 . 0 0 "[ . 1 . 2 . 3]" 1
1368 1 116 GLN HB2 1 118 ALA H 5.500 . 5.500 5.282 3.293 5.600 0.100 23 0 "[ . 1 . 2 . 3]" 1
1369 1 116 GLN HB2 1 119 ALA HA 4.630 . 4.630 4.756 4.271 4.879 0.249 30 0 "[ . 1 . 2 . 3]" 1
1370 1 116 GLN HB2 1 119 ALA MB 3.340 . 3.340 2.076 2.043 2.165 . 0 0 "[ . 1 . 2 . 3]" 1
1371 1 116 GLN HB2 1 119 ALA H 3.770 . 3.770 3.488 2.006 3.708 . 0 0 "[ . 1 . 2 . 3]" 1
1372 1 116 GLN QG 1 118 ALA MB 4.700 . 4.700 4.663 4.367 4.920 0.220 13 0 "[ . 1 . 2 . 3]" 1
1373 1 116 GLN QG 1 118 ALA H 4.560 . 4.560 4.654 4.397 5.012 0.452 21 0 "[ . 1 . 2 . 3]" 1
1374 1 116 GLN QG 1 119 ALA MB 3.760 . 3.760 3.410 2.138 3.840 0.080 9 0 "[ . 1 . 2 . 3]" 1
1375 1 116 GLN QG 1 119 ALA H 4.670 . 4.670 4.172 3.622 4.495 . 0 0 "[ . 1 . 2 . 3]" 1
1376 1 116 GLN H 1 116 GLN HB3 3.660 . 3.660 3.437 3.339 3.669 0.009 21 0 "[ . 1 . 2 . 3]" 1
1377 1 116 GLN H 1 116 GLN HB2 3.300 . 3.300 2.272 2.169 3.128 . 0 0 "[ . 1 . 2 . 3]" 1
1378 1 116 GLN H 1 119 ALA MB 3.970 . 3.970 2.822 2.554 3.064 . 0 0 "[ . 1 . 2 . 3]" 1
1379 1 116 GLN H 1 119 ALA H 5.500 . 5.500 4.742 4.521 5.044 . 0 0 "[ . 1 . 2 . 3]" 1
1380 1 116 GLN H 1 120 LEU MD1 4.700 . 4.700 3.442 2.562 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
1381 1 116 GLN H 1 120 LEU MD2 4.700 . 4.700 4.107 3.833 4.307 . 0 0 "[ . 1 . 2 . 3]" 1
1382 1 116 GLN H 1 120 LEU H 5.370 . 5.370 4.420 3.933 4.704 . 0 0 "[ . 1 . 2 . 3]" 1
1383 1 117 ARG HA 1 117 ARG QD 3.800 . 3.800 3.015 2.085 3.902 0.102 14 0 "[ . 1 . 2 . 3]" 1
1384 1 117 ARG HA 1 118 ALA MB 5.460 . 5.460 5.039 5.023 5.055 . 0 0 "[ . 1 . 2 . 3]" 1
1385 1 117 ARG HA 1 119 ALA MB 5.500 . 5.500 4.916 4.710 5.313 . 0 0 "[ . 1 . 2 . 3]" 1
1386 1 117 ARG HA 1 120 LEU QB 3.830 . 3.830 2.976 2.393 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
1387 1 117 ARG HA 1 120 LEU MD1 4.370 . 4.370 2.691 2.277 4.191 . 0 0 "[ . 1 . 2 . 3]" 1
1388 1 117 ARG HA 1 120 LEU H 4.040 . 4.040 3.582 3.332 3.826 . 0 0 "[ . 1 . 2 . 3]" 1
1389 1 117 ARG HB3 1 117 ARG QD 3.670 . 3.670 2.895 2.172 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
1390 1 117 ARG HB2 1 118 ALA HA 5.220 . 5.220 5.329 3.790 5.509 0.289 13 0 "[ . 1 . 2 . 3]" 1
1391 1 117 ARG HB2 1 118 ALA H 3.540 . 3.540 3.376 2.045 3.726 0.186 21 0 "[ . 1 . 2 . 3]" 1
1392 1 117 ARG QD 1 120 LEU H 5.340 . 5.340 5.184 4.359 5.723 0.383 16 0 "[ . 1 . 2 . 3]" 1
1393 1 117 ARG QD 1 121 ILE MD 3.500 . 3.500 2.933 2.044 3.744 0.244 30 0 "[ . 1 . 2 . 3]" 1
1394 1 117 ARG HD3 1 118 ALA H 5.500 . 5.500 4.351 2.428 5.325 . 0 0 "[ . 1 . 2 . 3]" 1
1395 1 117 ARG HD2 1 118 ALA H 5.500 . 5.500 3.956 1.807 5.649 0.149 6 0 "[ . 1 . 2 . 3]" 1
1396 1 117 ARG QG 1 118 ALA H 3.370 . 3.370 3.221 1.717 3.786 0.416 21 0 "[ . 1 . 2 . 3]" 1
1397 1 117 ARG QG 1 121 ILE MD 3.520 . 3.520 2.608 2.010 3.949 0.429 24 0 "[ . 1 . 2 . 3]" 1
1398 1 117 ARG H 1 118 ALA H 3.440 . 3.440 2.974 2.727 3.231 . 0 0 "[ . 1 . 2 . 3]" 1
1399 1 118 ALA HA 1 121 ILE HB 4.480 . 4.480 2.882 2.578 4.665 0.185 8 0 "[ . 1 . 2 . 3]" 1
1400 1 118 ALA HA 1 121 ILE MD 3.790 . 3.790 2.748 2.148 4.093 0.303 23 0 "[ . 1 . 2 . 3]" 1
1401 1 118 ALA HA 1 121 ILE MG 4.890 . 4.890 4.172 3.911 4.616 . 0 0 "[ . 1 . 2 . 3]" 1
1402 1 118 ALA HA 1 121 ILE H 4.260 . 4.260 3.501 3.259 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
1403 1 118 ALA HA 1 122 ASP H 4.880 . 4.880 4.102 3.824 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
1404 1 118 ALA MB 1 119 ALA H 3.230 . 3.230 2.638 2.389 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
1405 1 118 ALA MB 1 122 ASP HB3 5.500 . 5.500 5.534 4.090 5.945 0.445 28 0 "[ . 1 . 2 . 3]" 1
1406 1 118 ALA MB 1 122 ASP H 5.290 . 5.290 4.626 4.470 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
1407 1 118 ALA H 1 118 ALA MB 3.090 . 3.090 2.230 2.193 2.272 . 0 0 "[ . 1 . 2 . 3]" 1
1408 1 118 ALA H 1 119 ALA H 3.630 . 3.630 2.757 2.656 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
1409 1 118 ALA H 1 121 ILE MD 4.660 . 4.660 4.263 3.427 5.125 0.465 11 0 "[ . 1 . 2 . 3]" 1
1410 1 119 ALA HA 1 122 ASP HB3 4.190 . 4.190 3.922 3.282 4.337 0.147 11 0 "[ . 1 . 2 . 3]" 1
1411 1 119 ALA HA 1 122 ASP HB2 4.330 . 4.330 3.170 2.568 4.625 0.295 7 0 "[ . 1 . 2 . 3]" 1
1412 1 119 ALA HA 1 122 ASP H 3.890 . 3.890 3.745 3.556 4.006 0.116 30 0 "[ . 1 . 2 . 3]" 1
1413 1 114 VAL MG1 1 119 ALA MB 3.000 . 3.000 1.863 1.801 1.944 . 0 0 "[ . 1 . 2 . 3]" 1
1414 1 119 ALA MB 1 120 LEU HA 4.210 . 4.210 3.835 3.794 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
1415 1 119 ALA MB 1 120 LEU H 2.930 . 2.930 2.617 2.469 2.859 . 0 0 "[ . 1 . 2 . 3]" 1
1416 1 119 ALA MB 1 122 ASP HB3 5.500 . 5.500 5.119 4.507 5.595 0.095 7 0 "[ . 1 . 2 . 3]" 1
1417 1 119 ALA MB 1 122 ASP HB2 5.500 . 5.500 4.625 4.079 5.842 0.342 7 0 "[ . 1 . 2 . 3]" 1
1418 1 119 ALA MB 1 122 ASP H 5.500 . 5.500 4.714 4.572 4.865 . 0 0 "[ . 1 . 2 . 3]" 1
1419 1 114 VAL MG1 1 119 ALA H 4.500 . 4.500 4.109 3.896 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
1420 1 119 ALA H 1 119 ALA MB 3.370 . 3.370 2.212 2.175 2.239 . 0 0 "[ . 1 . 2 . 3]" 1
1421 1 119 ALA H 1 120 LEU QB 5.330 . 5.330 4.560 4.426 4.643 . 0 0 "[ . 1 . 2 . 3]" 1
1422 1 119 ALA H 1 120 LEU H 3.640 . 3.640 2.637 2.481 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
1423 1 119 ALA H 1 121 ILE H 5.500 . 5.500 4.359 4.085 4.701 . 0 0 "[ . 1 . 2 . 3]" 1
1424 1 119 ALA H 1 122 ASP H 5.500 . 5.500 4.807 4.707 4.958 . 0 0 "[ . 1 . 2 . 3]" 1
1425 1 120 LEU HA 1 120 LEU MD1 4.370 . 4.370 3.662 2.119 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
1426 1 120 LEU HA 1 120 LEU MD2 3.370 . 3.370 2.359 2.153 3.739 0.369 5 0 "[ . 1 . 2 . 3]" 1
1427 1 120 LEU HA 1 123 CYS HB3 4.710 . 4.710 2.628 2.248 2.831 . 0 0 "[ . 1 . 2 . 3]" 1
1428 1 120 LEU HA 1 123 CYS HB2 4.670 . 4.670 3.340 2.762 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
1429 1 120 LEU HA 1 124 LEU QD 5.440 . 5.440 3.318 2.842 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
1430 1 120 LEU QB 1 121 ILE H 3.670 . 3.670 2.378 2.118 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
1431 1 120 LEU MD2 1 124 LEU MD2 3.400 . 3.400 3.249 2.373 3.595 0.195 24 0 "[ . 1 . 2 . 3]" 1
1432 1 120 LEU H 1 120 LEU QB 3.150 . 3.150 2.286 2.109 2.349 . 0 0 "[ . 1 . 2 . 3]" 1
1433 1 120 LEU H 1 120 LEU MD1 4.770 . 4.770 3.221 2.023 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
1434 1 120 LEU H 1 120 LEU MD2 3.770 . 3.770 3.807 3.630 3.941 0.171 30 0 "[ . 1 . 2 . 3]" 1
1435 1 120 LEU H 1 121 ILE QG 3.900 . 3.900 3.930 3.411 4.130 0.230 25 0 "[ . 1 . 2 . 3]" 1
1436 1 120 LEU H 1 121 ILE H 3.750 . 3.750 2.629 2.403 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
1437 1 120 LEU H 1 122 ASP H 4.910 . 4.910 3.852 3.670 4.060 . 0 0 "[ . 1 . 2 . 3]" 1
1438 1 120 LEU H 1 123 CYS HB3 5.500 . 5.500 5.227 4.744 5.561 0.061 16 0 "[ . 1 . 2 . 3]" 1
1439 1 120 LEU H 1 123 CYS HB2 5.500 . 5.500 5.218 4.849 5.563 0.063 24 0 "[ . 1 . 2 . 3]" 1
1440 1 121 ILE HA 1 121 ILE MD 3.960 . 3.960 3.492 2.093 4.115 0.155 8 0 "[ . 1 . 2 . 3]" 1
1441 1 121 ILE HA 1 124 LEU QD 4.890 . 4.890 2.888 2.286 3.894 . 0 0 "[ . 1 . 2 . 3]" 1
1442 1 121 ILE HB 1 121 ILE MD 3.250 . 3.250 2.456 2.229 3.207 . 0 0 "[ . 1 . 2 . 3]" 1
1443 1 121 ILE HB 1 122 ASP H 3.690 . 3.690 2.785 2.656 3.745 0.055 8 0 "[ . 1 . 2 . 3]" 1
1444 1 121 ILE MD 1 122 ASP H 4.360 . 4.360 4.441 3.943 4.617 0.257 26 0 "[ . 1 . 2 . 3]" 1
1445 1 121 ILE QG 1 122 ASP H 4.300 . 4.300 3.875 2.175 4.087 . 0 0 "[ . 1 . 2 . 3]" 1
1446 1 121 ILE MD 1 121 ILE MG 2.400 . 2.400 1.931 1.825 2.126 . 0 0 "[ . 1 . 2 . 3]" 1
1447 1 121 ILE MG 1 122 ASP HA 5.310 . 5.310 3.772 3.486 5.453 0.143 8 0 "[ . 1 . 2 . 3]" 1
1448 1 121 ILE MG 1 122 ASP H 4.230 . 4.230 3.689 3.461 4.083 . 0 0 "[ . 1 . 2 . 3]" 1
1449 1 121 ILE H 1 121 ILE HB 3.600 . 3.600 2.664 2.498 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
1450 1 121 ILE H 1 121 ILE MD 3.800 . 3.800 3.162 2.293 3.512 . 0 0 "[ . 1 . 2 . 3]" 1
1451 1 121 ILE H 1 121 ILE QG 3.790 . 3.790 1.860 1.781 2.002 . 0 0 "[ . 1 . 2 . 3]" 1
1452 1 121 ILE H 1 121 ILE MG 3.880 . 3.880 3.687 2.223 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
1453 1 121 ILE H 1 122 ASP HA 5.500 . 5.500 5.365 5.263 5.467 . 0 0 "[ . 1 . 2 . 3]" 1
1454 1 121 ILE H 1 122 ASP H 4.090 . 4.090 2.740 2.619 2.876 . 0 0 "[ . 1 . 2 . 3]" 1
1455 1 122 ASP HA 1 124 LEU H 5.500 . 5.500 3.863 3.635 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
1456 1 122 ASP HA 1 125 ALA MB 3.980 . 3.980 3.776 3.569 3.945 . 0 0 "[ . 1 . 2 . 3]" 1
1457 1 122 ASP HA 1 125 ALA H 4.650 . 4.650 4.562 4.301 4.783 0.133 26 0 "[ . 1 . 2 . 3]" 1
1458 1 122 ASP HB3 1 124 LEU H 5.500 . 5.500 4.954 4.493 5.434 . 0 0 "[ . 1 . 2 . 3]" 1
1459 1 122 ASP HB2 1 123 CYS H 3.200 . 3.200 3.149 2.615 3.603 0.403 16 0 "[ . 1 . 2 . 3]" 1
1460 1 122 ASP HB2 1 124 LEU H 5.500 . 5.500 4.966 4.631 5.249 . 0 0 "[ . 1 . 2 . 3]" 1
1461 1 122 ASP H 1 122 ASP HB3 3.380 . 3.380 3.219 2.702 3.564 0.184 15 0 "[ . 1 . 2 . 3]" 1
1462 1 122 ASP H 1 122 ASP HB2 3.670 . 3.670 2.348 2.189 3.620 . 0 0 "[ . 1 . 2 . 3]" 1
1463 1 122 ASP H 1 123 CYS H 3.440 . 3.440 2.420 2.323 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
1464 1 122 ASP H 1 124 LEU H 5.500 . 5.500 3.632 3.519 3.701 . 0 0 "[ . 1 . 2 . 3]" 1
1465 1 123 CYS HA 1 124 LEU QD 5.140 . 5.140 4.984 4.274 5.308 0.168 7 0 "[ . 1 . 2 . 3]" 1
1466 1 123 CYS HB3 1 124 LEU H 4.350 . 4.350 3.371 3.075 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
1467 1 123 CYS HB2 1 124 LEU QD 5.330 . 5.330 4.871 4.048 5.292 . 0 0 "[ . 1 . 2 . 3]" 1
1468 1 123 CYS HB2 1 124 LEU H 3.910 . 3.910 4.072 3.930 4.249 0.339 24 0 "[ . 1 . 2 . 3]" 1
1469 1 123 CYS H 1 123 CYS HB3 3.270 . 3.270 2.768 2.428 3.103 . 0 0 "[ . 1 . 2 . 3]" 1
1470 1 123 CYS H 1 123 CYS HB2 3.400 . 3.400 2.451 2.173 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
1471 1 123 CYS H 1 124 LEU H 3.780 . 3.780 2.420 2.157 2.633 . 0 0 "[ . 1 . 2 . 3]" 1
1472 1 123 CYS H 1 125 ALA H 4.880 . 4.880 4.413 4.177 4.563 . 0 0 "[ . 1 . 2 . 3]" 1
1473 1 123 CYS H 1 126 PRO HD3 5.990 . 5.990 5.808 5.651 6.309 0.319 24 0 "[ . 1 . 2 . 3]" 1
1474 1 124 LEU HA 1 124 LEU QD 3.260 . 3.260 2.107 1.930 2.201 . 0 0 "[ . 1 . 2 . 3]" 1
1475 1 124 LEU HA 1 125 ALA MB 4.760 . 4.760 4.695 4.645 4.769 0.009 25 0 "[ . 1 . 2 . 3]" 1
1476 1 124 LEU HB2 1 124 LEU QD 3.080 . 3.080 2.257 2.203 2.422 . 0 0 "[ . 1 . 2 . 3]" 1
1477 1 124 LEU QD 1 125 ALA H 4.590 . 4.590 4.309 3.908 4.495 . 0 0 "[ . 1 . 2 . 3]" 1
1478 1 124 LEU QD 1 127 ASP H 5.440 . 5.440 4.595 3.667 5.183 . 0 0 "[ . 1 . 2 . 3]" 1
1479 1 124 LEU H 1 124 LEU HB3 3.570 . 3.570 3.540 3.292 3.651 0.081 24 0 "[ . 1 . 2 . 3]" 1
1480 1 124 LEU H 1 124 LEU HB2 3.730 . 3.730 2.328 2.226 2.449 . 0 0 "[ . 1 . 2 . 3]" 1
1481 1 124 LEU H 1 124 LEU QD 3.440 . 3.440 3.179 2.596 3.427 . 0 0 "[ . 1 . 2 . 3]" 1
1482 1 124 LEU H 1 125 ALA H 3.970 . 3.970 2.725 2.556 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
1483 1 124 LEU H 1 126 PRO HD3 5.500 . 5.500 4.616 4.370 5.381 . 0 0 "[ . 1 . 2 . 3]" 1
1484 1 125 ALA HA 1 128 ARG H 4.620 . 4.620 4.392 4.115 4.649 0.029 18 0 "[ . 1 . 2 . 3]" 1
1485 1 125 ALA MB 1 126 PRO HD3 3.840 . 3.840 2.141 2.075 2.287 . 0 0 "[ . 1 . 2 . 3]" 1
1486 1 125 ALA MB 1 126 PRO HD2 4.060 . 4.060 3.290 2.651 3.467 . 0 0 "[ . 1 . 2 . 3]" 1
1487 1 125 ALA H 1 125 ALA MB 3.250 . 3.250 2.102 2.055 2.170 . 0 0 "[ . 1 . 2 . 3]" 1
1488 1 125 ALA H 1 126 PRO HD3 4.290 . 4.290 2.106 1.917 3.006 . 0 0 "[ . 1 . 2 . 3]" 1
1489 1 125 ALA H 1 126 PRO HD2 3.850 . 3.850 2.200 1.721 2.443 . 0 0 "[ . 1 . 2 . 3]" 1
1490 1 125 ALA H 1 126 PRO QG 4.670 . 4.670 3.779 3.636 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
1491 1 125 ALA H 1 127 ASP H 5.500 . 5.500 4.098 3.919 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
1492 1 126 PRO HD3 1 127 ASP H 5.220 . 5.220 4.075 3.912 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
1493 1 126 PRO HD2 1 127 ASP H 4.390 . 4.390 3.306 3.098 3.634 . 0 0 "[ . 1 . 2 . 3]" 1
1494 1 127 ASP QB 1 128 ARG H 4.230 . 4.230 3.614 3.455 4.001 . 0 0 "[ . 1 . 2 . 3]" 1
1495 1 127 ASP H 1 127 ASP QB 3.540 . 3.540 2.453 2.310 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
1496 1 127 ASP H 1 128 ARG QG 4.220 . 4.220 3.237 2.842 3.666 . 0 0 "[ . 1 . 2 . 3]" 1
1497 1 127 ASP H 1 128 ARG H 3.590 . 3.590 2.373 2.198 2.512 . 0 0 "[ . 1 . 2 . 3]" 1
1498 1 128 ARG QB 1 129 ARG H 4.320 . 4.320 3.698 3.453 3.862 . 0 0 "[ . 1 . 2 . 3]" 1
1499 1 128 ARG H 1 128 ARG QB 3.500 . 3.500 2.653 2.441 3.104 . 0 0 "[ . 1 . 2 . 3]" 1
1500 1 128 ARG H 1 128 ARG QG 3.910 . 3.910 2.391 1.879 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
1501 1 128 ARG H 1 129 ARG H 4.640 . 4.640 4.049 3.822 4.363 . 0 0 "[ . 1 . 2 . 3]" 1
1502 1 129 ARG HA 1 130 VAL H 3.400 . 3.400 2.293 2.079 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
1503 1 129 ARG QB 1 130 VAL H 4.220 . 4.220 2.874 1.952 3.183 . 0 0 "[ . 1 . 2 . 3]" 1
1504 1 129 ARG QG 1 131 GLU H 5.340 . 5.340 4.982 4.774 5.232 . 0 0 "[ . 1 . 2 . 3]" 1
1505 1 129 ARG HG3 1 130 VAL H 4.780 . 4.780 4.077 3.033 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
1506 1 129 ARG HG2 1 130 VAL H 4.780 . 4.780 4.831 4.205 5.069 0.289 15 0 "[ . 1 . 2 . 3]" 1
1507 1 129 ARG H 1 129 ARG HD3 5.500 . 5.500 4.900 4.567 5.288 . 0 0 "[ . 1 . 2 . 3]" 1
1508 1 129 ARG H 1 129 ARG HD2 5.500 . 5.500 4.995 4.494 5.314 . 0 0 "[ . 1 . 2 . 3]" 1
1509 1 129 ARG H 1 130 VAL QG 5.440 . 5.440 4.227 3.815 4.660 . 0 0 "[ . 1 . 2 . 3]" 1
1510 1 129 ARG H 1 130 VAL H 5.500 . 5.500 4.241 4.106 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
1511 1 130 VAL HB 1 131 GLU H 4.680 . 4.680 3.267 2.618 3.800 . 0 0 "[ . 1 . 2 . 3]" 1
1512 1 130 VAL QG 1 131 GLU HA 5.440 . 5.440 3.630 3.265 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
1513 1 130 VAL QG 1 131 GLU H 3.590 . 3.590 2.894 2.323 3.408 . 0 0 "[ . 1 . 2 . 3]" 1
1514 1 130 VAL H 1 130 VAL HB 3.940 . 3.940 3.548 3.296 3.898 . 0 0 "[ . 1 . 2 . 3]" 1
1515 1 130 VAL H 1 130 VAL QG 3.370 . 3.370 1.811 1.669 2.213 . 0 0 "[ . 1 . 2 . 3]" 1
1516 1 130 VAL H 1 131 GLU HG3 5.500 . 5.500 4.921 4.510 5.163 . 0 0 "[ . 1 . 2 . 3]" 1
1517 1 130 VAL H 1 131 GLU HG2 5.500 . 5.500 5.208 4.963 5.458 . 0 0 "[ . 1 . 2 . 3]" 1
1518 1 130 VAL H 1 131 GLU H 5.500 . 5.500 4.488 4.322 4.574 . 0 0 "[ . 1 . 2 . 3]" 1
1519 1 131 GLU HA 1 132 ILE MG 5.500 . 5.500 5.451 5.363 5.517 0.017 28 0 "[ . 1 . 2 . 3]" 1
1520 1 131 GLU HA 1 132 ILE H 3.390 . 3.390 2.135 2.096 2.190 . 0 0 "[ . 1 . 2 . 3]" 1
1521 1 131 GLU QB 1 132 ILE H 4.390 . 4.390 3.568 3.479 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
1522 1 131 GLU HG3 1 132 ILE H 5.500 . 5.500 5.219 5.054 5.354 . 0 0 "[ . 1 . 2 . 3]" 1
1523 1 131 GLU HG2 1 132 ILE H 5.500 . 5.500 4.529 4.352 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
1524 1 131 GLU H 1 131 GLU QG 4.450 . 4.450 2.800 2.648 3.009 . 0 0 "[ . 1 . 2 . 3]" 1
1525 1 131 GLU H 1 132 ILE H 5.500 . 5.500 4.049 3.963 4.119 . 0 0 "[ . 1 . 2 . 3]" 1
1526 1 132 ILE HA 1 132 ILE MD 4.650 . 4.650 3.014 2.259 3.818 . 0 0 "[ . 1 . 2 . 3]" 1
1527 1 132 ILE HA 1 133 GLU H 3.470 . 3.470 2.169 2.137 2.211 . 0 0 "[ . 1 . 2 . 3]" 1
1528 1 132 ILE HB 1 132 ILE MD 3.600 . 3.600 2.881 2.509 3.196 . 0 0 "[ . 1 . 2 . 3]" 1
1529 1 132 ILE MD 1 132 ILE MG 2.420 . 2.420 1.872 1.799 1.954 . 0 0 "[ . 1 . 2 . 3]" 1
1530 1 132 ILE QG 1 132 ILE MG 3.210 . 3.210 2.454 2.375 2.557 . 0 0 "[ . 1 . 2 . 3]" 1
1531 1 132 ILE MG 1 133 GLU H 3.240 . 3.240 2.954 2.858 3.067 . 0 0 "[ . 1 . 2 . 3]" 1
1532 1 132 ILE H 1 132 ILE HB 3.790 . 3.790 2.838 2.697 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
1533 1 132 ILE H 1 132 ILE MD 4.680 . 4.680 3.519 3.235 3.717 . 0 0 "[ . 1 . 2 . 3]" 1
1534 1 132 ILE H 1 132 ILE HG12 4.130 . 4.130 2.105 1.847 2.424 . 0 0 "[ . 1 . 2 . 3]" 1
1535 1 132 ILE H 1 132 ILE MG 4.380 . 4.380 3.784 3.720 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
1536 1 133 GLU HA 1 134 VAL QG 5.440 . 5.440 3.517 3.018 3.975 . 0 0 "[ . 1 . 2 . 3]" 1
1537 1 133 GLU HA 1 134 VAL H 3.150 . 3.150 2.115 2.067 2.180 . 0 0 "[ . 1 . 2 . 3]" 1
1538 1 133 GLU QG 1 134 VAL H 3.660 . 3.660 2.905 2.651 3.387 . 0 0 "[ . 1 . 2 . 3]" 1
1539 1 133 GLU H 1 133 GLU QB 3.230 . 3.230 2.317 2.192 2.417 . 0 0 "[ . 1 . 2 . 3]" 1
1540 1 133 GLU H 1 134 VAL QG 4.950 . 4.950 3.914 3.710 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
1541 1 133 GLU H 1 134 VAL H 4.360 . 4.360 4.375 4.073 4.474 0.114 9 0 "[ . 1 . 2 . 3]" 1
1542 1 134 VAL HA 1 134 VAL MG1 3.630 . 3.630 2.342 2.255 2.534 . 0 0 "[ . 1 . 2 . 3]" 1
1543 1 134 VAL HA 1 134 VAL MG2 3.630 . 3.630 2.461 2.290 2.665 . 0 0 "[ . 1 . 2 . 3]" 1
1544 1 134 VAL HA 1 135 LYS HB3 5.500 . 5.500 4.363 4.209 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
1545 1 134 VAL HA 1 135 LYS H 3.000 . 3.000 2.148 2.101 2.190 . 0 0 "[ . 1 . 2 . 3]" 1
1546 1 134 VAL HB 1 135 LYS H 4.240 . 4.240 4.256 4.111 4.341 0.101 12 0 "[ . 1 . 2 . 3]" 1
1547 1 134 VAL HB 1 137 ILE MG 3.920 . 3.920 2.954 2.238 3.607 . 0 0 "[ . 1 . 2 . 3]" 1
1548 1 134 VAL QG 1 135 LYS HA 4.160 . 4.160 3.737 3.533 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
1549 1 134 VAL QG 1 135 LYS H 3.470 . 3.470 2.803 2.542 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
1550 1 134 VAL QG 1 137 ILE HA 5.440 . 5.440 3.993 3.753 4.261 . 0 0 "[ . 1 . 2 . 3]" 1
1551 1 134 VAL QG 1 137 ILE HB 3.400 . 3.400 2.132 2.024 2.361 . 0 0 "[ . 1 . 2 . 3]" 1
1552 1 134 VAL QG 1 137 ILE MD 3.640 . 3.640 2.360 1.998 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
1553 1 134 VAL QG 1 137 ILE MG 2.470 . 2.470 2.514 2.025 2.629 0.159 17 0 "[ . 1 . 2 . 3]" 1
1554 1 134 VAL QG 1 137 ILE H 3.930 . 3.930 3.493 2.569 4.034 0.104 12 0 "[ . 1 . 2 . 3]" 1
1555 1 134 VAL H 1 134 VAL QG 4.060 . 4.060 2.636 2.234 2.953 . 0 0 "[ . 1 . 2 . 3]" 1
1556 1 134 VAL H 1 137 ILE MG 4.570 . 4.570 4.740 4.257 4.966 0.396 12 0 "[ . 1 . 2 . 3]" 1
1557 1 135 LYS HA 1 135 LYS QG 3.450 . 3.450 2.737 2.458 3.382 . 0 0 "[ . 1 . 2 . 3]" 1
1558 1 135 LYS HA 1 136 GLY H 3.190 . 3.190 2.218 2.138 2.659 . 0 0 "[ . 1 . 2 . 3]" 1
1559 1 135 LYS HA 1 137 ILE H 5.130 . 5.130 3.493 3.019 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
1560 1 135 LYS HB3 1 136 GLY H 4.560 . 4.560 4.265 3.752 4.466 . 0 0 "[ . 1 . 2 . 3]" 1
1561 1 135 LYS QD 1 136 GLY H 4.930 . 4.930 4.583 3.753 5.263 0.333 27 0 "[ . 1 . 2 . 3]" 1
1562 1 135 LYS QE 1 135 LYS QG 3.340 . 3.340 2.181 2.086 2.304 . 0 0 "[ . 1 . 2 . 3]" 1
1563 1 135 LYS QG 1 136 GLY H 4.100 . 4.100 2.703 2.087 3.800 . 0 0 "[ . 1 . 2 . 3]" 1
1564 1 135 LYS H 1 135 LYS HB3 3.540 . 3.540 2.473 2.336 3.068 . 0 0 "[ . 1 . 2 . 3]" 1
1565 1 135 LYS H 1 135 LYS QG 4.520 . 4.520 3.517 1.915 3.863 . 0 0 "[ . 1 . 2 . 3]" 1
1566 1 135 LYS H 1 136 GLY H 4.670 . 4.670 4.406 4.280 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
1567 1 136 GLY QA 1 137 ILE HB 5.340 . 5.340 4.741 4.620 4.910 . 0 0 "[ . 1 . 2 . 3]" 1
1568 1 136 GLY H 1 137 ILE H 3.920 . 3.920 2.318 2.038 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
1569 1 137 ILE HA 1 137 ILE MG 3.460 . 3.460 3.209 3.181 3.235 . 0 0 "[ . 1 . 2 . 3]" 1
1570 1 137 ILE HA 1 138 LYS H 3.040 . 3.040 2.336 2.143 2.520 . 0 0 "[ . 1 . 2 . 3]" 1
1571 1 137 ILE HB 1 137 ILE MD 2.880 . 2.880 2.288 2.229 2.345 . 0 0 "[ . 1 . 2 . 3]" 1
1572 1 137 ILE MD 1 138 LYS H 4.960 . 4.960 3.639 3.294 4.167 . 0 0 "[ . 1 . 2 . 3]" 1
1573 1 137 ILE QG 1 138 LYS H 3.420 . 3.420 1.907 1.591 2.428 . 0 0 "[ . 1 . 2 . 3]" 1
1574 1 137 ILE QG 1 137 ILE MG 3.230 . 3.230 2.204 2.130 2.255 . 0 0 "[ . 1 . 2 . 3]" 1
1575 1 137 ILE MG 1 138 LYS H 4.050 . 4.050 3.526 3.055 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
1576 1 137 ILE H 1 137 ILE HB 3.030 . 3.030 2.877 2.472 3.154 0.124 12 0 "[ . 1 . 2 . 3]" 1
1577 1 137 ILE H 1 137 ILE MG 3.370 . 3.370 1.985 1.765 2.148 . 0 0 "[ . 1 . 2 . 3]" 1
1578 1 137 ILE H 1 138 LYS H 4.720 . 4.720 4.516 4.442 4.627 . 0 0 "[ . 1 . 2 . 3]" 1
1579 1 138 LYS HA 1 138 LYS QD 4.150 . 4.150 3.592 2.121 4.367 0.217 23 0 "[ . 1 . 2 . 3]" 1
1580 1 138 LYS HA 1 138 LYS QG 3.520 . 3.520 2.549 2.199 3.362 . 0 0 "[ . 1 . 2 . 3]" 1
1581 1 138 LYS HA 1 139 ASP H 3.330 . 3.330 2.615 2.134 3.095 . 0 0 "[ . 1 . 2 . 3]" 1
1582 1 138 LYS QB 1 139 ASP H 3.780 . 3.780 2.569 1.696 3.993 0.213 25 0 "[ . 1 . 2 . 3]" 1
1583 1 138 LYS QD 1 139 ASP H 4.070 . 4.070 3.532 1.862 4.737 0.667 12 1 "[ . 1 + . 2 . 3]" 1
1584 1 138 LYS QE 1 139 ASP H 5.500 . 5.500 4.574 3.487 5.702 0.202 21 0 "[ . 1 . 2 . 3]" 1
1585 1 138 LYS QG 1 139 ASP H 4.390 . 4.390 2.825 1.658 4.412 0.022 1 0 "[ . 1 . 2 . 3]" 1
1586 1 138 LYS H 1 138 LYS QB 3.230 . 3.230 2.398 2.084 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
1587 1 138 LYS H 1 139 ASP H 4.720 . 4.720 4.409 3.844 4.539 . 0 0 "[ . 1 . 2 . 3]" 1
1588 1 139 ASP HA 1 140 VAL QG 5.340 . 5.340 3.578 3.197 3.963 . 0 0 "[ . 1 . 2 . 3]" 1
1589 1 139 ASP HA 1 140 VAL H 2.870 . 2.870 2.356 2.137 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
1590 1 139 ASP HB3 1 140 VAL H 4.670 . 4.670 3.575 2.213 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
1591 1 139 ASP HB2 1 140 VAL H 4.670 . 4.670 3.362 2.175 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
1592 1 139 ASP H 1 139 ASP QB 3.060 . 3.060 2.655 2.225 3.234 0.174 7 0 "[ . 1 . 2 . 3]" 1
1593 1 139 ASP H 1 140 VAL H 4.450 . 4.450 4.368 3.697 4.603 0.153 11 0 "[ . 1 . 2 . 3]" 1
1594 1 140 VAL HA 1 141 VAL H 2.970 . 2.970 2.228 2.134 2.545 . 0 0 "[ . 1 . 2 . 3]" 1
1595 1 140 VAL QG 1 141 VAL H 3.900 . 3.900 2.498 1.793 3.261 . 0 0 "[ . 1 . 2 . 3]" 1
1596 1 140 VAL H 1 140 VAL HB 3.460 . 3.460 2.861 2.372 3.636 0.176 14 0 "[ . 1 . 2 . 3]" 1
1597 1 140 VAL H 1 140 VAL QG 3.770 . 3.770 2.128 1.740 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
1598 1 141 VAL HA 1 142 THR H 3.260 . 3.260 2.190 2.123 2.512 . 0 0 "[ . 1 . 2 . 3]" 1
1599 1 141 VAL HB 1 142 THR H 4.480 . 4.480 3.884 2.282 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
1600 1 141 VAL QG 1 142 THR HA 5.440 . 5.440 3.819 3.180 4.336 . 0 0 "[ . 1 . 2 . 3]" 1
1601 1 141 VAL QG 1 142 THR HB 5.440 . 5.440 4.855 3.535 5.516 0.076 24 0 "[ . 1 . 2 . 3]" 1
1602 1 141 VAL QG 1 142 THR H 3.780 . 3.780 2.858 2.062 3.730 . 0 0 "[ . 1 . 2 . 3]" 1
1603 1 141 VAL QG 1 143 GLN H 5.440 . 5.440 4.662 3.406 5.473 0.033 8 0 "[ . 1 . 2 . 3]" 1
1604 1 141 VAL H 1 141 VAL QG 3.640 . 3.640 2.086 1.741 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
1605 1 142 THR HA 1 142 THR MG 3.680 . 3.680 2.591 2.247 3.205 . 0 0 "[ . 1 . 2 . 3]" 1
1606 1 142 THR MG 1 143 GLN H 5.500 . 5.500 3.541 1.723 4.283 . 0 0 "[ . 1 . 2 . 3]" 1
1607 1 142 THR H 1 142 THR MG 3.830 . 3.830 2.675 1.770 3.910 0.080 13 0 "[ . 1 . 2 . 3]" 1
1608 1 144 PRO HA 1 145 GLN H 3.530 . 3.530 2.800 2.186 3.576 0.046 11 0 "[ . 1 . 2 . 3]" 1
1609 1 144 PRO QB 1 145 GLN H 3.600 . 3.600 2.972 2.068 3.605 0.005 20 0 "[ . 1 . 2 . 3]" 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 100
_Distance_constraint_stats_list.Viol_count 1601
_Distance_constraint_stats_list.Viol_total 6572.174
_Distance_constraint_stats_list.Viol_max 0.564
_Distance_constraint_stats_list.Viol_rms 0.1007
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0730
_Distance_constraint_stats_list.Viol_average_violations_only 0.1368
_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 13 LYS 9.357 0.312 8 0 "[ . 1 . 2 . 3]"
1 15 PHE 7.228 0.261 23 0 "[ . 1 . 2 . 3]"
1 17 LEU 4.638 0.230 18 0 "[ . 1 . 2 . 3]"
1 18 LYS 21.767 0.564 26 3 "[ . 1 -. 2 * .+ 3]"
1 19 SER 16.898 0.378 15 0 "[ . 1 . 2 . 3]"
1 22 LEU 21.767 0.564 26 3 "[ . 1 -. 2 * .+ 3]"
1 23 PHE 1.870 0.177 28 0 "[ . 1 . 2 . 3]"
1 32 PRO 0.055 0.031 28 0 "[ . 1 . 2 . 3]"
1 33 GLU 9.257 0.250 21 0 "[ . 1 . 2 . 3]"
1 34 GLY 2.420 0.147 22 0 "[ . 1 . 2 . 3]"
1 35 GLN 2.829 0.193 13 0 "[ . 1 . 2 . 3]"
1 36 ALA 13.360 0.304 16 0 "[ . 1 . 2 . 3]"
1 37 ALA 10.852 0.250 21 0 "[ . 1 . 2 . 3]"
1 38 LEU 4.297 0.193 27 0 "[ . 1 . 2 . 3]"
1 39 ASP 11.077 0.237 9 0 "[ . 1 . 2 . 3]"
1 40 GLN 13.305 0.304 16 0 "[ . 1 . 2 . 3]"
1 41 LEU 1.595 0.118 27 0 "[ . 1 . 2 . 3]"
1 42 TYR 1.877 0.193 27 0 "[ . 1 . 2 . 3]"
1 43 SER 8.248 0.237 9 0 "[ . 1 . 2 . 3]"
1 54 SER 3.928 0.376 12 0 "[ . 1 . 2 . 3]"
1 55 VAL 20.284 0.498 9 0 "[ . 1 . 2 . 3]"
1 56 VAL 5.095 0.273 10 0 "[ . 1 . 2 . 3]"
1 57 VAL 2.087 0.238 4 0 "[ . 1 . 2 . 3]"
1 58 LEU 4.696 0.200 12 0 "[ . 1 . 2 . 3]"
1 59 GLY 6.266 0.541 4 1 "[ +. 1 . 2 . 3]"
1 60 TYR 19.042 0.420 19 0 "[ . 1 . 2 . 3]"
1 61 THR 2.083 0.192 26 0 "[ . 1 . 2 . 3]"
1 67 ASP 0.543 0.093 27 0 "[ . 1 . 2 . 3]"
1 68 ALA 0.903 0.101 17 0 "[ . 1 . 2 . 3]"
1 69 TYR 3.337 0.170 20 0 "[ . 1 . 2 . 3]"
1 70 ASN 0.908 0.137 12 0 "[ . 1 . 2 . 3]"
1 71 GLN 1.838 0.104 14 0 "[ . 1 . 2 . 3]"
1 72 GLY 5.868 0.228 8 0 "[ . 1 . 2 . 3]"
1 73 LEU 4.244 0.170 20 0 "[ . 1 . 2 . 3]"
1 74 SER 2.203 0.137 12 0 "[ . 1 . 2 . 3]"
1 75 GLU 1.296 0.104 14 0 "[ . 1 . 2 . 3]"
1 76 ARG 4.965 0.228 8 0 "[ . 1 . 2 . 3]"
1 77 ARG 1.756 0.147 21 0 "[ . 1 . 2 . 3]"
1 78 ALA 6.412 0.165 30 0 "[ . 1 . 2 . 3]"
1 79 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 80 SER 12.566 0.479 6 0 "[ . 1 . 2 . 3]"
1 81 VAL 0.879 0.147 21 0 "[ . 1 . 2 . 3]"
1 82 VAL 5.117 0.165 30 0 "[ . 1 . 2 . 3]"
1 83 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 84 TYR 12.566 0.479 6 0 "[ . 1 . 2 . 3]"
1 85 LEU 0.029 0.011 22 0 "[ . 1 . 2 . 3]"
1 91 PRO 4.554 0.262 10 0 "[ . 1 . 2 . 3]"
1 94 LYS 16.479 0.367 4 0 "[ . 1 . 2 . 3]"
1 96 SER 8.359 0.498 9 0 "[ . 1 . 2 . 3]"
1 98 ARG 8.353 0.541 4 1 "[ +. 1 . 2 . 3]"
1 101 GLY 2.083 0.192 26 0 "[ . 1 . 2 . 3]"
1 106 VAL 4.288 0.286 7 0 "[ . 1 . 2 . 3]"
1 107 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 110 THR 4.288 0.286 7 0 "[ . 1 . 2 . 3]"
1 111 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 118 ALA 5.875 0.340 26 0 "[ . 1 . 2 . 3]"
1 119 ALA 2.251 0.254 7 0 "[ . 1 . 2 . 3]"
1 122 ASP 5.875 0.340 26 0 "[ . 1 . 2 . 3]"
1 123 CYS 2.251 0.254 7 0 "[ . 1 . 2 . 3]"
1 125 ALA 6.434 0.338 27 0 "[ . 1 . 2 . 3]"
1 128 ARG 21.462 0.378 15 0 "[ . 1 . 2 . 3]"
1 129 ARG 19.042 0.420 19 0 "[ . 1 . 2 . 3]"
1 130 VAL 4.638 0.230 18 0 "[ . 1 . 2 . 3]"
1 131 GLU 4.696 0.200 12 0 "[ . 1 . 2 . 3]"
1 132 ILE 7.228 0.261 23 0 "[ . 1 . 2 . 3]"
1 133 GLU 5.095 0.273 10 0 "[ . 1 . 2 . 3]"
1 134 VAL 9.357 0.312 8 0 "[ . 1 . 2 . 3]"
1 135 LYS 3.928 0.376 12 0 "[ . 1 . 2 . 3]"
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 13 LYS H 1 134 VAL O 2.000 . 2.000 1.785 1.617 2.154 0.154 9 0 "[ . 1 . 2 . 3]" 2
2 1 13 LYS N 1 134 VAL O 3.000 . 3.000 2.636 2.447 2.840 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 15 PHE H 1 132 ILE O 2.000 . 2.000 1.936 1.717 2.261 0.261 23 0 "[ . 1 . 2 . 3]" 2
4 1 15 PHE N 1 132 ILE O 3.000 . 3.000 2.870 2.644 3.196 0.196 23 0 "[ . 1 . 2 . 3]" 2
5 1 17 LEU H 1 130 VAL O 2.000 . 2.000 1.989 1.795 2.213 0.213 6 0 "[ . 1 . 2 . 3]" 2
6 1 17 LEU N 1 130 VAL O 3.000 . 3.000 2.907 2.701 3.158 0.158 6 0 "[ . 1 . 2 . 3]" 2
7 1 19 SER H 1 128 ARG O 2.000 . 2.000 2.304 2.215 2.378 0.378 15 0 "[ . 1 . 2 . 3]" 2
8 1 19 SER N 1 128 ARG O 3.000 . 3.000 3.197 3.100 3.290 0.290 2 0 "[ . 1 . 2 . 3]" 2
9 1 18 LYS O 1 22 LEU H 2.000 . 2.000 2.393 2.222 2.564 0.564 26 3 "[ . 1 -. 2 * .+ 3]" 2
10 1 18 LYS O 1 22 LEU N 3.000 . 3.000 3.333 3.197 3.519 0.519 26 1 "[ . 1 . 2 .+ 3]" 2
11 1 19 SER O 1 23 PHE H 2.000 . 2.000 2.061 1.969 2.177 0.177 28 0 "[ . 1 . 2 . 3]" 2
12 1 19 SER O 1 23 PHE N 3.000 . 3.000 2.542 2.405 2.754 . 0 0 "[ . 1 . 2 . 3]" 2
13 1 32 PRO O 1 36 ALA H 2.000 . 2.000 1.924 1.807 2.031 0.031 28 0 "[ . 1 . 2 . 3]" 2
14 1 32 PRO O 1 36 ALA N 3.000 . 3.000 2.900 2.769 3.006 0.006 28 0 "[ . 1 . 2 . 3]" 2
15 1 33 GLU O 1 37 ALA H 2.000 . 2.000 2.170 2.096 2.250 0.250 21 0 "[ . 1 . 2 . 3]" 2
16 1 33 GLU O 1 37 ALA N 3.000 . 3.000 3.138 3.043 3.233 0.233 27 0 "[ . 1 . 2 . 3]" 2
17 1 34 GLY O 1 38 LEU H 2.000 . 2.000 2.078 1.991 2.147 0.147 22 0 "[ . 1 . 2 . 3]" 2
18 1 34 GLY O 1 38 LEU N 3.000 . 3.000 2.967 2.898 3.038 0.038 13 0 "[ . 1 . 2 . 3]" 2
19 1 35 GLN O 1 39 ASP H 2.000 . 2.000 2.092 1.930 2.193 0.193 13 0 "[ . 1 . 2 . 3]" 2
20 1 35 GLN O 1 39 ASP N 3.000 . 3.000 2.839 2.690 2.966 . 0 0 "[ . 1 . 2 . 3]" 2
21 1 36 ALA O 1 40 GLN H 2.000 . 2.000 2.244 2.148 2.304 0.304 16 0 "[ . 1 . 2 . 3]" 2
22 1 36 ALA O 1 40 GLN N 3.000 . 3.000 3.199 3.119 3.252 0.252 28 0 "[ . 1 . 2 . 3]" 2
23 1 37 ALA O 1 41 LEU H 2.000 . 2.000 2.035 1.908 2.118 0.118 27 0 "[ . 1 . 2 . 3]" 2
24 1 37 ALA O 1 41 LEU N 3.000 . 3.000 2.992 2.884 3.058 0.058 28 0 "[ . 1 . 2 . 3]" 2
25 1 38 LEU O 1 42 TYR H 2.000 . 2.000 2.051 1.862 2.193 0.193 27 0 "[ . 1 . 2 . 3]" 2
26 1 38 LEU O 1 42 TYR N 3.000 . 3.000 2.893 2.744 3.063 0.063 27 0 "[ . 1 . 2 . 3]" 2
27 1 39 ASP O 1 43 SER H 2.000 . 2.000 2.163 2.092 2.237 0.237 9 0 "[ . 1 . 2 . 3]" 2
28 1 39 ASP O 1 43 SER N 3.000 . 3.000 3.112 3.035 3.180 0.180 19 0 "[ . 1 . 2 . 3]" 2
29 1 55 VAL H 1 94 LYS O 2.000 . 2.000 2.251 2.164 2.367 0.367 4 0 "[ . 1 . 2 . 3]" 2
30 1 55 VAL N 1 94 LYS O 3.000 . 3.000 3.146 3.074 3.217 0.217 4 0 "[ . 1 . 2 . 3]" 2
31 1 56 VAL H 1 133 GLU O 2.000 . 2.000 2.170 2.054 2.273 0.273 10 0 "[ . 1 . 2 . 3]" 2
32 1 56 VAL N 1 133 GLU O 3.000 . 3.000 2.864 2.750 2.938 . 0 0 "[ . 1 . 2 . 3]" 2
33 1 57 VAL H 1 96 SER O 2.000 . 2.000 1.628 1.544 1.756 . 0 0 "[ . 1 . 2 . 3]" 2
34 1 57 VAL N 1 96 SER O 3.000 . 3.000 2.580 2.477 2.695 . 0 0 "[ . 1 . 2 . 3]" 2
35 1 58 LEU H 1 131 GLU O 2.000 . 2.000 2.121 2.047 2.200 0.200 12 0 "[ . 1 . 2 . 3]" 2
36 1 58 LEU N 1 131 GLU O 3.000 . 3.000 3.014 2.962 3.049 0.049 3 0 "[ . 1 . 2 . 3]" 2
37 1 59 GLY H 1 98 ARG O 2.000 . 2.000 2.191 1.754 2.541 0.541 4 1 "[ +. 1 . 2 . 3]" 2
38 1 59 GLY N 1 98 ARG O 3.000 . 3.000 2.900 2.574 3.150 0.150 4 0 "[ . 1 . 2 . 3]" 2
39 1 60 TYR H 1 129 ARG O 2.000 . 2.000 2.251 1.828 2.420 0.420 19 0 "[ . 1 . 2 . 3]" 2
40 1 60 TYR N 1 129 ARG O 3.000 . 3.000 2.974 2.587 3.120 0.120 20 0 "[ . 1 . 2 . 3]" 2
41 1 61 THR H 1 101 GLY O 2.000 . 2.000 2.028 1.683 2.192 0.192 26 0 "[ . 1 . 2 . 3]" 2
42 1 61 THR N 1 101 GLY O 3.000 . 3.000 2.870 2.516 3.133 0.133 14 0 "[ . 1 . 2 . 3]" 2
43 1 67 ASP O 1 71 GLN H 2.000 . 2.000 1.957 1.814 2.093 0.093 27 0 "[ . 1 . 2 . 3]" 2
44 1 67 ASP O 1 71 GLN N 3.000 . 3.000 2.913 2.778 3.028 0.028 27 0 "[ . 1 . 2 . 3]" 2
45 1 68 ALA O 1 72 GLY H 2.000 . 2.000 1.984 1.806 2.101 0.101 17 0 "[ . 1 . 2 . 3]" 2
46 1 68 ALA O 1 72 GLY N 3.000 . 3.000 2.909 2.718 3.029 0.029 2 0 "[ . 1 . 2 . 3]" 2
47 1 69 TYR O 1 73 LEU H 2.000 . 2.000 2.105 2.035 2.170 0.170 20 0 "[ . 1 . 2 . 3]" 2
48 1 69 TYR O 1 73 LEU N 3.000 . 3.000 2.989 2.925 3.032 0.032 16 0 "[ . 1 . 2 . 3]" 2
49 1 70 ASN O 1 74 SER H 2.000 . 2.000 1.980 1.715 2.137 0.137 12 0 "[ . 1 . 2 . 3]" 2
50 1 70 ASN O 1 74 SER N 3.000 . 3.000 2.870 2.603 3.062 0.062 4 0 "[ . 1 . 2 . 3]" 2
51 1 71 GLN O 1 75 GLU H 2.000 . 2.000 2.021 1.818 2.104 0.104 14 0 "[ . 1 . 2 . 3]" 2
52 1 71 GLN O 1 75 GLU N 3.000 . 3.000 2.962 2.791 3.044 0.044 14 0 "[ . 1 . 2 . 3]" 2
53 1 72 GLY O 1 76 ARG H 2.000 . 2.000 2.119 2.017 2.228 0.228 8 0 "[ . 1 . 2 . 3]" 2
54 1 72 GLY O 1 76 ARG N 3.000 . 3.000 3.043 2.963 3.133 0.133 18 0 "[ . 1 . 2 . 3]" 2
55 1 73 LEU O 1 77 ARG H 2.000 . 2.000 1.994 1.887 2.087 0.087 8 0 "[ . 1 . 2 . 3]" 2
56 1 73 LEU O 1 77 ARG N 3.000 . 3.000 2.950 2.806 3.059 0.059 30 0 "[ . 1 . 2 . 3]" 2
57 1 74 SER O 1 78 ALA H 2.000 . 2.000 2.009 1.782 2.126 0.126 1 0 "[ . 1 . 2 . 3]" 2
58 1 74 SER O 1 78 ALA N 3.000 . 3.000 2.958 2.738 3.072 0.072 10 0 "[ . 1 . 2 . 3]" 2
59 1 75 GLU O 1 79 GLN H 2.000 . 2.000 1.834 1.662 1.993 . 0 0 "[ . 1 . 2 . 3]" 2
60 1 75 GLU O 1 79 GLN N 3.000 . 3.000 2.675 2.524 2.804 . 0 0 "[ . 1 . 2 . 3]" 2
61 1 77 ARG O 1 81 VAL H 2.000 . 2.000 1.937 1.725 2.147 0.147 21 0 "[ . 1 . 2 . 3]" 2
62 1 77 ARG O 1 81 VAL N 3.000 . 3.000 2.869 2.671 3.087 0.087 21 0 "[ . 1 . 2 . 3]" 2
63 1 78 ALA O 1 82 VAL H 2.000 . 2.000 2.100 1.961 2.165 0.165 30 0 "[ . 1 . 2 . 3]" 2
64 1 78 ALA O 1 82 VAL N 3.000 . 3.000 3.067 2.938 3.128 0.128 30 0 "[ . 1 . 2 . 3]" 2
65 1 79 GLN O 1 83 ASP H 2.000 . 2.000 1.741 1.598 1.987 . 0 0 "[ . 1 . 2 . 3]" 2
66 1 79 GLN O 1 83 ASP N 3.000 . 3.000 2.690 2.549 2.850 . 0 0 "[ . 1 . 2 . 3]" 2
67 1 80 SER O 1 84 TYR H 2.000 . 2.000 2.266 2.182 2.479 0.479 6 0 "[ . 1 . 2 . 3]" 2
68 1 80 SER O 1 84 TYR N 3.000 . 3.000 3.153 3.070 3.319 0.319 6 0 "[ . 1 . 2 . 3]" 2
69 1 81 VAL O 1 85 LEU H 2.000 . 2.000 1.907 1.612 2.011 0.011 22 0 "[ . 1 . 2 . 3]" 2
70 1 81 VAL O 1 85 LEU N 3.000 . 3.000 2.753 2.468 2.866 . 0 0 "[ . 1 . 2 . 3]" 2
71 1 91 PRO O 1 94 LYS H 2.000 . 2.000 2.137 2.039 2.262 0.262 10 0 "[ . 1 . 2 . 3]" 2
72 1 91 PRO O 1 94 LYS N 3.000 . 3.000 2.998 2.895 3.111 0.111 10 0 "[ . 1 . 2 . 3]" 2
73 1 55 VAL O 1 96 SER H 2.000 . 2.000 2.279 2.064 2.498 0.498 9 0 "[ . 1 . 2 . 3]" 2
74 1 55 VAL O 1 96 SER N 3.000 . 3.000 2.841 2.715 2.982 . 0 0 "[ . 1 . 2 . 3]" 2
75 1 57 VAL O 1 98 ARG H 2.000 . 2.000 1.961 1.668 2.238 0.238 4 0 "[ . 1 . 2 . 3]" 2
76 1 57 VAL O 1 98 ARG N 3.000 . 3.000 2.743 2.583 2.900 . 0 0 "[ . 1 . 2 . 3]" 2
77 1 106 VAL O 1 110 THR H 2.000 . 2.000 2.032 1.661 2.286 0.286 7 0 "[ . 1 . 2 . 3]" 2
78 1 106 VAL O 1 110 THR N 3.000 . 3.000 2.990 2.598 3.242 0.242 7 0 "[ . 1 . 2 . 3]" 2
79 1 107 THR O 1 111 CYS H 2.000 . 2.000 1.695 1.519 1.874 . 0 0 "[ . 1 . 2 . 3]" 2
80 1 107 THR O 1 111 CYS N 3.000 . 3.000 2.557 2.387 2.792 . 0 0 "[ . 1 . 2 . 3]" 2
81 1 118 ALA O 1 122 ASP H 2.000 . 2.000 2.162 2.074 2.340 0.340 26 0 "[ . 1 . 2 . 3]" 2
82 1 118 ALA O 1 122 ASP N 3.000 . 3.000 3.019 2.924 3.143 0.143 26 0 "[ . 1 . 2 . 3]" 2
83 1 119 ALA O 1 123 CYS H 2.000 . 2.000 2.062 1.889 2.254 0.254 7 0 "[ . 1 . 2 . 3]" 2
84 1 119 ALA O 1 123 CYS N 3.000 . 3.000 2.891 2.723 3.101 0.101 7 0 "[ . 1 . 2 . 3]" 2
85 1 125 ALA O 1 128 ARG H 2.000 . 2.000 2.197 2.007 2.338 0.338 27 0 "[ . 1 . 2 . 3]" 2
86 1 125 ALA O 1 128 ARG N 3.000 . 3.000 2.990 2.880 3.115 0.115 15 0 "[ . 1 . 2 . 3]" 2
87 1 60 TYR O 1 129 ARG H 2.000 . 2.000 2.221 2.058 2.321 0.321 4 0 "[ . 1 . 2 . 3]" 2
88 1 60 TYR O 1 129 ARG N 3.000 . 3.000 3.102 3.027 3.178 0.178 29 0 "[ . 1 . 2 . 3]" 2
89 1 17 LEU O 1 130 VAL H 2.000 . 2.000 2.079 1.824 2.230 0.230 18 0 "[ . 1 . 2 . 3]" 2
90 1 17 LEU O 1 130 VAL N 3.000 . 3.000 2.868 2.717 3.006 0.006 13 0 "[ . 1 . 2 . 3]" 2
91 1 58 LEU O 1 131 GLU H 2.000 . 2.000 1.967 1.695 2.118 0.118 12 0 "[ . 1 . 2 . 3]" 2
92 1 58 LEU O 1 131 GLU N 3.000 . 3.000 2.822 2.663 2.991 . 0 0 "[ . 1 . 2 . 3]" 2
93 1 15 PHE O 1 132 ILE H 2.000 . 2.000 2.148 1.982 2.245 0.245 23 0 "[ . 1 . 2 . 3]" 2
94 1 15 PHE O 1 132 ILE N 3.000 . 3.000 3.016 2.842 3.177 0.177 23 0 "[ . 1 . 2 . 3]" 2
95 1 56 VAL O 1 133 GLU H 2.000 . 2.000 1.792 1.683 1.939 . 0 0 "[ . 1 . 2 . 3]" 2
96 1 56 VAL O 1 133 GLU N 3.000 . 3.000 2.704 2.600 2.839 . 0 0 "[ . 1 . 2 . 3]" 2
97 1 13 LYS O 1 134 VAL H 2.000 . 2.000 2.195 2.111 2.312 0.312 8 0 "[ . 1 . 2 . 3]" 2
98 1 13 LYS O 1 134 VAL N 3.000 . 3.000 3.093 2.873 3.239 0.239 22 0 "[ . 1 . 2 . 3]" 2
99 1 54 SER O 1 135 LYS H 2.000 . 2.000 2.066 1.906 2.376 0.376 12 0 "[ . 1 . 2 . 3]" 2
100 1 54 SER O 1 135 LYS N 3.000 . 3.000 3.040 2.882 3.365 0.365 12 0 "[ . 1 . 2 . 3]" 2
stop_
save_
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