NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396506 |
1siy   |
6089 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1siy
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 1250
_Distance_constraint_stats_list.Viol_count 1643
_Distance_constraint_stats_list.Viol_total 2480.629
_Distance_constraint_stats_list.Viol_max 2.116
_Distance_constraint_stats_list.Viol_rms 0.0473
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0088
_Distance_constraint_stats_list.Viol_average_violations_only 0.1007
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 3.901 0.346 10 0 "[ . 1 .]"
1 2 THR 5.298 0.409 9 0 "[ . 1 .]"
1 3 CYS 2.002 0.169 9 0 "[ . 1 .]"
1 4 GLY 3.518 0.346 10 0 "[ . 1 .]"
1 5 GLN 3.617 0.594 10 1 "[ . + .]"
1 6 VAL 4.766 0.544 12 1 "[ . 1 + .]"
1 7 GLN 0.662 0.291 15 0 "[ . 1 .]"
1 8 GLY 1.138 0.231 8 0 "[ . 1 .]"
1 9 ASN 4.024 0.544 12 1 "[ . 1 + .]"
1 10 LEU 1.279 0.291 15 0 "[ . 1 .]"
1 11 ALA 1.206 0.231 8 0 "[ . 1 .]"
1 12 GLN 3.034 0.350 14 0 "[ . 1 .]"
1 13 CYS 2.195 0.323 13 0 "[ . 1 .]"
1 14 ILE 8.008 0.359 15 0 "[ . 1 .]"
1 15 GLY 2.215 0.350 14 0 "[ . 1 .]"
1 16 PHE 3.172 0.204 4 0 "[ . 1 .]"
1 17 LEU 10.295 0.911 9 1 "[ . +1 .]"
1 18 GLN 7.362 0.686 13 2 "[ .- 1 + .]"
1 19 LYS 4.783 0.686 13 2 "[ .- 1 + .]"
1 20 GLY 0.277 0.108 7 0 "[ . 1 .]"
1 21 GLY 1.382 0.254 6 0 "[ . 1 .]"
1 22 VAL 3.826 0.655 9 2 "[ . +1 - .]"
1 23 VAL 7.693 0.454 8 0 "[ . 1 .]"
1 24 PRO 10.095 0.655 9 2 "[ . +1 - .]"
1 25 PRO 0.128 0.040 2 0 "[ . 1 .]"
1 26 SER 8.053 0.776 9 4 "[ .- +1 * *]"
1 27 CYS 8.671 0.776 9 4 "[ .- +1 * *]"
1 28 CYS 7.796 0.683 3 2 "[ + . - .]"
1 29 THR 4.122 0.881 5 2 "[- + 1 .]"
1 30 GLY 5.788 0.505 15 1 "[ . 1 +]"
1 31 VAL 8.061 0.683 3 3 "[ + . -* .]"
1 32 LYS 1.951 0.372 14 0 "[ . 1 .]"
1 33 ASN 5.634 0.505 15 1 "[ . 1 +]"
1 34 ILE 8.162 0.807 6 1 "[ .+ 1 .]"
1 35 LEU 5.205 0.372 14 0 "[ . 1 .]"
1 36 ASN 2.645 0.255 6 0 "[ . 1 .]"
1 37 SER 1.100 0.807 6 1 "[ .+ 1 .]"
1 38 SER 3.630 0.314 10 0 "[ . 1 .]"
1 39 ARG 3.155 0.601 3 2 "[ + . - .]"
1 40 THR 4.173 0.601 3 2 "[ + . - .]"
1 41 THR 5.136 0.645 5 1 "[ + 1 .]"
1 42 ALA 0.322 0.062 8 0 "[ . 1 .]"
1 43 ASP 8.431 0.645 5 1 "[ + 1 .]"
1 44 ARG 1.130 0.100 6 0 "[ . 1 .]"
1 45 ARG 4.913 0.287 4 0 "[ . 1 .]"
1 46 ALA 1.509 0.287 4 0 "[ . 1 .]"
1 47 VAL 1.781 0.594 10 1 "[ . + .]"
1 48 CYS 2.704 0.353 1 0 "[ . 1 .]"
1 49 SER 2.675 0.725 8 1 "[ . + 1 .]"
1 50 CYS 1.583 0.102 8 0 "[ . 1 .]"
1 51 LEU 1.182 0.205 11 0 "[ . 1 .]"
1 52 LYS 1.120 0.102 8 0 "[ . 1 .]"
1 53 ALA 3.334 0.363 7 0 "[ . 1 .]"
1 54 ALA 0.489 0.070 14 0 "[ . 1 .]"
1 55 ALA 0.201 0.097 10 0 "[ . 1 .]"
1 56 GLY 0.677 0.317 11 0 "[ . 1 .]"
1 57 ALA 2.891 0.363 7 0 "[ . 1 .]"
1 58 VAL 6.980 2.116 12 1 "[ . 1 + .]"
1 59 ARG 2.926 0.467 14 0 "[ . 1 .]"
1 60 GLY 1.745 0.467 14 0 "[ . 1 .]"
1 61 ILE 4.934 0.394 7 0 "[ . 1 .]"
1 62 ASN 8.452 2.116 12 1 "[ . 1 + .]"
1 63 PRO 2.620 0.132 8 0 "[ . 1 .]"
1 64 ASN 2.397 0.438 14 0 "[ . 1 .]"
1 65 ASN 7.852 0.911 9 1 "[ . +1 .]"
1 66 ALA 0.332 0.118 15 0 "[ . 1 .]"
1 67 GLU 4.888 0.501 7 1 "[ . + 1 .]"
1 68 ALA 3.445 0.501 7 1 "[ . + 1 .]"
1 70 PRO 5.568 0.660 10 2 "[ . -+ .]"
1 71 GLY 0.292 0.064 13 0 "[ . 1 .]"
1 72 LYS 4.700 0.770 12 2 "[ . - 1 + .]"
1 73 CYS 5.012 0.881 5 2 "[- + 1 .]"
1 74 GLY 0.707 0.106 8 0 "[ . 1 .]"
1 75 VAL 2.088 0.119 2 0 "[ . 1 .]"
1 76 ASN 1.547 0.143 14 0 "[ . 1 .]"
1 77 ILE 4.004 0.503 2 1 "[ + . 1 .]"
1 78 PRO 1.125 0.503 2 1 "[ + . 1 .]"
1 79 TYR 3.280 0.258 6 0 "[ . 1 .]"
1 80 LYS 3.526 0.333 12 0 "[ . 1 .]"
1 81 ILE 1.531 0.284 12 0 "[ . 1 .]"
1 82 SER 1.264 0.333 12 0 "[ . 1 .]"
1 83 THR 0.823 0.317 11 0 "[ . 1 .]"
1 84 SER 0.133 0.110 2 0 "[ . 1 .]"
1 85 THR 2.042 0.263 11 0 "[ . 1 .]"
1 86 ASN 1.934 0.328 10 0 "[ . 1 .]"
1 87 CYS 3.257 0.725 8 1 "[ . + 1 .]"
1 88 ASN 0.880 0.237 4 0 "[ . 1 .]"
1 89 SER 3.365 0.489 11 0 "[ . 1 .]"
1 90 ILE 4.065 0.489 11 0 "[ . 1 .]"
1 91 ASN 2.295 0.247 9 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET ME 1 2 THR HA 4.500 . 5.500 3.657 2.824 5.514 0.014 12 0 "[ . 1 .]" 1
2 1 1 MET HB3 1 2 THR H 4.500 . 5.500 3.772 1.650 4.333 0.150 14 0 "[ . 1 .]" 1
3 1 1 MET QG 1 2 THR H 4.500 . 4.500 2.960 2.161 3.580 . 0 0 "[ . 1 .]" 1
4 1 1 MET HB3 1 2 THR HA 4.500 . 5.500 4.646 4.064 4.779 . 0 0 "[ . 1 .]" 1
5 1 1 MET HA 1 2 THR H 3.500 . 4.000 2.302 2.006 3.587 . 0 0 "[ . 1 .]" 1
6 1 1 MET ME 1 3 CYS HB3 4.000 . 4.500 4.011 1.995 4.607 0.107 8 0 "[ . 1 .]" 1
7 1 1 MET ME 1 3 CYS HB2 4.000 . 4.500 3.240 2.229 4.603 0.103 14 0 "[ . 1 .]" 1
8 1 1 MET HA 1 4 GLY H 4.500 . 5.500 5.625 4.517 5.846 0.346 10 0 "[ . 1 .]" 1
9 1 1 MET QG 1 5 GLN H 4.500 . 5.500 4.748 2.403 5.460 . 0 0 "[ . 1 .]" 1
10 1 1 MET HA 1 5 GLN H 4.500 . 5.500 4.770 4.294 5.220 . 0 0 "[ . 1 .]" 1
11 1 1 MET ME 1 6 VAL QG 4.000 . 4.500 2.922 1.823 4.640 0.140 12 0 "[ . 1 .]" 1
12 1 2 THR HA 1 2 THR MG 3.500 . 4.000 2.609 2.188 3.223 . 0 0 "[ . 1 .]" 1
13 1 2 THR H 1 2 THR MG 3.500 . 4.000 2.995 2.171 4.003 0.003 12 0 "[ . 1 .]" 1
14 1 2 THR HA 1 2 THR HB 3.000 . 3.500 2.562 2.366 3.026 . 0 0 "[ . 1 .]" 1
15 1 2 THR MG 1 3 CYS H 4.500 . 5.500 3.725 2.514 4.358 . 0 0 "[ . 1 .]" 1
16 1 2 THR HA 1 3 CYS H 3.500 . 4.000 2.854 2.379 3.581 . 0 0 "[ . 1 .]" 1
17 1 2 THR HB 1 3 CYS H 3.500 . 4.000 3.250 1.822 4.169 0.169 9 0 "[ . 1 .]" 1
18 1 2 THR MG 1 4 GLY H 4.500 . 5.500 3.481 1.817 4.850 . 0 0 "[ . 1 .]" 1
19 1 2 THR HA 1 4 GLY H 4.500 . 5.500 3.897 3.588 4.980 . 0 0 "[ . 1 .]" 1
20 1 2 THR HB 1 4 GLY H 3.500 . 4.000 3.306 2.250 4.183 0.183 12 0 "[ . 1 .]" 1
21 1 2 THR HB 1 5 GLN H 4.500 . 5.500 4.034 3.289 4.797 . 0 0 "[ . 1 .]" 1
22 1 2 THR HA 1 5 GLN H 4.500 . 5.500 4.220 3.305 4.482 . 0 0 "[ . 1 .]" 1
23 1 2 THR MG 1 5 GLN H 4.500 . 5.500 3.385 1.750 4.760 0.050 13 0 "[ . 1 .]" 1
24 1 2 THR H 1 5 GLN H 4.500 . 5.500 2.821 2.112 3.099 . 0 0 "[ . 1 .]" 1
25 1 2 THR MG 1 5 GLN QB 3.500 . 4.000 3.250 2.070 4.258 0.258 15 0 "[ . 1 .]" 1
26 1 2 THR H 1 5 GLN HA 4.000 . 4.500 4.529 4.229 4.697 0.197 11 0 "[ . 1 .]" 1
27 1 2 THR H 1 5 GLN QG 3.500 . 4.000 3.941 3.399 4.242 0.242 14 0 "[ . 1 .]" 1
28 1 2 THR H 1 5 GLN QB 3.500 . 4.000 2.085 1.788 2.950 0.012 3 0 "[ . 1 .]" 1
29 1 2 THR HA 1 6 VAL H 4.500 . 5.500 5.345 4.033 5.909 0.409 9 0 "[ . 1 .]" 1
30 1 2 THR H 1 3 CYS H 4.500 . 5.500 3.528 1.811 4.429 . 0 0 "[ . 1 .]" 1
31 1 3 CYS H 1 3 CYS HB3 4.000 . 4.500 3.036 2.524 3.830 . 0 0 "[ . 1 .]" 1
32 1 3 CYS H 1 3 CYS HA 3.000 . 3.500 2.693 2.250 2.899 . 0 0 "[ . 1 .]" 1
33 1 3 CYS HA 1 3 CYS HB3 2.500 . 3.000 3.007 2.984 3.033 0.033 15 0 "[ . 1 .]" 1
34 1 3 CYS HA 1 3 CYS HB2 2.500 . 3.000 2.590 2.454 2.659 . 0 0 "[ . 1 .]" 1
35 1 3 CYS HA 1 4 GLY H 4.500 . 5.500 3.305 3.087 3.521 . 0 0 "[ . 1 .]" 1
36 1 3 CYS HB2 1 4 GLY H 4.500 . 5.500 4.068 3.734 4.283 . 0 0 "[ . 1 .]" 1
37 1 3 CYS HB3 1 4 GLY H 4.000 . 4.500 3.344 2.770 3.854 . 0 0 "[ . 1 .]" 1
38 1 3 CYS H 1 4 GLY H 3.500 . 4.000 2.727 2.330 3.131 . 0 0 "[ . 1 .]" 1
39 1 3 CYS HB3 1 5 GLN H 4.500 . 5.500 5.195 4.707 5.540 0.040 7 0 "[ . 1 .]" 1
40 1 3 CYS H 1 5 GLN H 4.500 . 5.500 3.822 3.172 4.210 . 0 0 "[ . 1 .]" 1
41 1 3 CYS HB2 1 6 VAL HB 5.000 . 6.000 5.402 4.998 6.090 0.090 5 0 "[ . 1 .]" 1
42 1 3 CYS HA 1 6 VAL HB 4.000 . 4.500 3.031 2.639 3.730 . 0 0 "[ . 1 .]" 1
43 1 3 CYS HA 1 6 VAL H 4.000 . 4.500 3.162 2.831 3.417 . 0 0 "[ . 1 .]" 1
44 1 3 CYS HA 1 6 VAL QG 4.000 . 4.000 2.297 1.741 3.316 0.059 2 0 "[ . 1 .]" 1
45 1 3 CYS HB2 1 50 CYS HB3 4.500 . 5.500 4.302 3.692 4.902 . 0 0 "[ . 1 .]" 1
46 1 3 CYS HB2 1 50 CYS HB2 3.500 . 4.000 3.226 2.235 4.016 0.016 5 0 "[ . 1 .]" 1
47 1 4 GLY H 1 4 GLY HA3 3.000 . 3.500 2.367 2.309 2.436 . 0 0 "[ . 1 .]" 1
48 1 4 GLY H 1 4 GLY HA2 3.000 . 3.500 2.922 2.860 2.961 . 0 0 "[ . 1 .]" 1
49 1 4 GLY HA3 1 5 GLN H 4.000 . 4.500 2.941 2.805 3.055 . 0 0 "[ . 1 .]" 1
50 1 4 GLY HA2 1 5 GLN H 3.500 . 4.000 3.452 3.389 3.512 . 0 0 "[ . 1 .]" 1
51 1 4 GLY H 1 5 GLN H 3.000 . 3.500 2.129 1.831 2.510 . 0 0 "[ . 1 .]" 1
52 1 4 GLY HA3 1 6 VAL H 4.500 . 5.500 4.772 4.530 5.090 . 0 0 "[ . 1 .]" 1
53 1 4 GLY H 1 6 VAL H 4.500 . 5.500 3.766 3.437 4.234 . 0 0 "[ . 1 .]" 1
54 1 4 GLY HA3 1 7 GLN HB3 4.500 . 5.500 4.159 3.566 5.473 . 0 0 "[ . 1 .]" 1
55 1 4 GLY HA2 1 7 GLN HB3 4.500 . 5.500 2.752 2.040 4.007 . 0 0 "[ . 1 .]" 1
56 1 4 GLY HA2 1 7 GLN H 4.500 . 5.500 2.972 2.686 3.281 . 0 0 "[ . 1 .]" 1
57 1 4 GLY HA3 1 7 GLN H 4.000 . 4.500 4.278 4.024 4.498 . 0 0 "[ . 1 .]" 1
58 1 4 GLY HA2 1 8 GLY H 4.500 . 5.500 4.296 3.746 4.694 . 0 0 "[ . 1 .]" 1
59 1 4 GLY HA3 1 8 GLY H 4.500 . 5.500 5.166 4.670 5.553 0.053 14 0 "[ . 1 .]" 1
60 1 5 GLN H 1 5 GLN QG 4.000 . 4.500 3.865 2.711 3.972 . 0 0 "[ . 1 .]" 1
61 1 5 GLN QB 1 5 GLN HE22 4.000 . 4.500 3.867 3.600 4.332 . 0 0 "[ . 1 .]" 1
62 1 5 GLN HA 1 5 GLN QG 3.500 . 4.000 2.604 2.368 3.301 . 0 0 "[ . 1 .]" 1
63 1 5 GLN QB 1 5 GLN HE21 3.500 . 4.000 3.325 2.774 4.006 0.006 11 0 "[ . 1 .]" 1
64 1 5 GLN H 1 5 GLN QB 3.500 . 4.000 2.213 2.057 2.302 . 0 0 "[ . 1 .]" 1
65 1 5 GLN H 1 5 GLN HA 3.000 . 3.500 2.826 2.759 2.874 . 0 0 "[ . 1 .]" 1
66 1 5 GLN HA 1 6 VAL H 4.000 . 4.500 3.525 3.481 3.551 . 0 0 "[ . 1 .]" 1
67 1 5 GLN QG 1 6 VAL H 3.500 . 4.000 3.414 2.277 3.730 . 0 0 "[ . 1 .]" 1
68 1 5 GLN HA 1 8 GLY H 3.500 . 4.000 3.544 3.138 3.860 . 0 0 "[ . 1 .]" 1
69 1 5 GLN QG 1 34 ILE MD 4.000 . 4.500 1.919 1.410 2.532 0.390 15 0 "[ . 1 .]" 1
70 1 5 GLN HE21 1 47 VAL QG 4.000 . 4.500 3.268 2.489 5.094 0.594 10 1 "[ . + .]" 1
71 1 3 CYS H 1 6 VAL QG 5.000 . 6.000 3.965 2.519 5.291 . 0 0 "[ . 1 .]" 1
72 1 5 GLN H 1 6 VAL QG 5.000 . 6.000 3.827 3.246 4.247 . 0 0 "[ . 1 .]" 1
73 1 5 GLN H 1 6 VAL H 4.500 . 5.500 2.561 2.345 2.811 . 0 0 "[ . 1 .]" 1
74 1 6 VAL H 1 6 VAL QG 4.000 . 4.000 2.041 1.793 2.297 0.007 2 0 "[ . 1 .]" 1
75 1 6 VAL H 1 6 VAL HB 3.500 . 4.000 2.580 2.409 2.826 . 0 0 "[ . 1 .]" 1
76 1 6 VAL H 1 6 VAL HA 3.000 . 3.500 2.833 2.800 2.868 . 0 0 "[ . 1 .]" 1
77 1 6 VAL HA 1 7 GLN H 5.000 . 6.000 3.516 3.449 3.551 . 0 0 "[ . 1 .]" 1
78 1 6 VAL QG 1 7 GLN H 4.500 . 5.500 3.054 2.217 3.336 . 0 0 "[ . 1 .]" 1
79 1 6 VAL HA 1 8 GLY H 5.000 . 6.000 4.069 3.566 4.393 . 0 0 "[ . 1 .]" 1
80 1 6 VAL HA 1 9 ASN HB3 4.500 . 5.500 3.523 2.718 4.381 . 0 0 "[ . 1 .]" 1
81 1 6 VAL HA 1 9 ASN HB2 4.500 . 5.500 3.638 2.753 5.372 . 0 0 "[ . 1 .]" 1
82 1 6 VAL HA 1 9 ASN H 4.000 . 4.500 3.462 2.990 3.781 . 0 0 "[ . 1 .]" 1
83 1 6 VAL QG 1 9 ASN HB2 4.000 . 4.500 3.944 3.397 5.044 0.544 12 1 "[ . 1 + .]" 1
84 1 6 VAL QG 1 10 LEU QB 4.500 . 5.500 3.931 3.099 4.873 . 0 0 "[ . 1 .]" 1
85 1 6 VAL QG 1 10 LEU H 4.500 . 5.500 3.841 3.265 4.450 . 0 0 "[ . 1 .]" 1
86 1 6 VAL HA 1 10 LEU H 4.500 . 5.500 4.779 4.016 5.527 0.027 2 0 "[ . 1 .]" 1
87 1 6 VAL HA 1 34 ILE H 4.500 . 5.500 5.549 5.517 5.580 0.080 2 0 "[ . 1 .]" 1
88 1 6 VAL QG 1 51 LEU HG 4.500 . 5.500 4.001 2.631 4.615 . 0 0 "[ . 1 .]" 1
89 1 5 GLN H 1 7 GLN H 4.500 . 5.500 3.767 3.465 4.163 . 0 0 "[ . 1 .]" 1
90 1 6 VAL H 1 7 GLN H 3.500 . 4.000 2.612 2.471 2.726 . 0 0 "[ . 1 .]" 1
91 1 7 GLN H 1 7 GLN HB3 3.500 . 4.000 2.855 2.526 3.607 . 0 0 "[ . 1 .]" 1
92 1 7 GLN H 1 7 GLN QG 3.500 . 4.000 3.603 2.148 4.036 0.036 15 0 "[ . 1 .]" 1
93 1 7 GLN H 1 7 GLN HA 3.000 . 3.500 2.795 2.757 2.843 . 0 0 "[ . 1 .]" 1
94 1 7 GLN QG 1 8 GLY H 4.500 . 5.500 4.015 3.669 4.375 . 0 0 "[ . 1 .]" 1
95 1 7 GLN HA 1 8 GLY H 4.000 . 4.500 3.509 3.395 3.562 . 0 0 "[ . 1 .]" 1
96 1 7 GLN HB3 1 8 GLY H 3.500 . 4.000 3.010 2.605 3.852 . 0 0 "[ . 1 .]" 1
97 1 7 GLN H 1 8 GLY H 3.500 . 4.000 2.690 2.517 2.792 . 0 0 "[ . 1 .]" 1
98 1 7 GLN HA 1 9 ASN H 4.500 . 5.500 3.845 3.542 4.436 . 0 0 "[ . 1 .]" 1
99 1 7 GLN HB3 1 10 LEU QB 5.000 . 6.000 5.532 4.511 6.291 0.291 15 0 "[ . 1 .]" 1
100 1 7 GLN HA 1 10 LEU H 4.000 . 4.500 3.279 2.779 3.678 . 0 0 "[ . 1 .]" 1
101 1 7 GLN HA 1 10 LEU QB 3.500 . 4.000 3.064 1.790 4.021 0.021 5 0 "[ . 1 .]" 1
102 1 7 GLN HA 1 10 LEU QD 4.000 . 4.500 3.529 2.791 4.555 0.055 1 0 "[ . 1 .]" 1
103 1 7 GLN HA 1 11 ALA H 4.000 . 4.500 3.530 2.926 4.169 . 0 0 "[ . 1 .]" 1
104 1 7 GLN QG 1 11 ALA MB 3.500 . 4.000 2.713 1.838 4.053 0.053 1 0 "[ . 1 .]" 1
105 1 7 GLN QG 1 54 ALA MB 4.500 . 5.500 4.467 3.283 5.558 0.058 4 0 "[ . 1 .]" 1
106 1 8 GLY H 1 8 GLY HA3 3.000 . 3.500 2.300 2.291 2.314 . 0 0 "[ . 1 .]" 1
107 1 8 GLY HA2 1 9 ASN H 4.000 . 4.500 3.453 3.370 3.546 . 0 0 "[ . 1 .]" 1
108 1 8 GLY HA3 1 9 ASN H 3.500 . 4.000 2.998 2.764 3.149 . 0 0 "[ . 1 .]" 1
109 1 8 GLY H 1 9 ASN H 3.000 . 3.500 2.665 2.476 2.724 . 0 0 "[ . 1 .]" 1
110 1 8 GLY HA2 1 10 LEU H 4.500 . 5.500 4.747 4.243 4.992 . 0 0 "[ . 1 .]" 1
111 1 8 GLY HA3 1 10 LEU H 4.500 . 5.500 5.134 4.728 5.442 . 0 0 "[ . 1 .]" 1
112 1 8 GLY HA3 1 11 ALA MB 4.000 . 4.500 4.340 3.653 4.731 0.231 8 0 "[ . 1 .]" 1
113 1 8 GLY HA2 1 11 ALA MB 4.000 . 4.500 2.865 2.255 3.324 . 0 0 "[ . 1 .]" 1
114 1 8 GLY HA2 1 11 ALA H 3.500 . 4.000 3.770 3.303 4.063 0.063 1 0 "[ . 1 .]" 1
115 1 9 ASN H 1 9 ASN HB3 4.000 . 4.500 2.496 2.341 3.586 . 0 0 "[ . 1 .]" 1
116 1 9 ASN HB2 1 9 ASN HD22 4.000 . 4.500 3.588 3.456 4.053 . 0 0 "[ . 1 .]" 1
117 1 9 ASN H 1 9 ASN HB2 3.500 . 4.000 2.730 2.440 3.668 . 0 0 "[ . 1 .]" 1
118 1 9 ASN H 1 9 ASN HA 3.000 . 3.500 2.862 2.790 2.910 . 0 0 "[ . 1 .]" 1
119 1 9 ASN HB2 1 10 LEU QD 4.500 . 5.500 3.745 2.759 4.546 . 0 0 "[ . 1 .]" 1
120 1 9 ASN HA 1 10 LEU H 4.000 . 4.500 3.553 3.479 3.573 . 0 0 "[ . 1 .]" 1
121 1 9 ASN HB2 1 10 LEU H 4.000 . 4.500 3.666 2.488 4.140 . 0 0 "[ . 1 .]" 1
122 1 9 ASN HA 1 10 LEU QD 4.000 . 4.500 4.251 3.882 4.541 0.041 8 0 "[ . 1 .]" 1
123 1 9 ASN HB3 1 10 LEU H 3.500 . 4.000 2.466 2.109 3.847 . 0 0 "[ . 1 .]" 1
124 1 9 ASN HA 1 11 ALA H 4.500 . 5.500 4.641 4.310 4.885 . 0 0 "[ . 1 .]" 1
125 1 9 ASN HA 1 11 ALA MB 5.000 . 6.000 5.400 4.844 5.759 . 0 0 "[ . 1 .]" 1
126 1 9 ASN HA 1 12 GLN H 4.500 . 5.500 4.471 4.092 4.951 . 0 0 "[ . 1 .]" 1
127 1 9 ASN HA 1 12 GLN QB 4.500 . 5.000 4.342 3.563 5.023 0.023 14 0 "[ . 1 .]" 1
128 1 9 ASN HA 1 12 GLN QG 4.000 . 4.500 4.135 3.650 4.518 0.018 5 0 "[ . 1 .]" 1
129 1 9 ASN HA 1 31 VAL MG1 4.500 . 5.000 5.038 4.587 5.288 0.288 10 0 "[ . 1 .]" 1
130 1 9 ASN HA 1 31 VAL MG2 4.000 . 4.500 3.451 3.053 4.071 . 0 0 "[ . 1 .]" 1
131 1 9 ASN HB2 1 34 ILE HB 5.000 . 6.000 2.813 2.251 3.554 . 0 0 "[ . 1 .]" 1
132 1 9 ASN HA 1 34 ILE QG 5.000 . 6.000 4.468 3.537 5.758 . 0 0 "[ . 1 .]" 1
133 1 9 ASN HB3 1 34 ILE QG 5.000 . 6.000 2.956 2.036 4.129 . 0 0 "[ . 1 .]" 1
134 1 9 ASN HA 1 34 ILE MG 4.500 . 5.500 5.541 5.284 5.699 0.199 12 0 "[ . 1 .]" 1
135 1 9 ASN HB2 1 34 ILE MG 4.000 . 4.500 3.606 3.294 4.091 . 0 0 "[ . 1 .]" 1
136 1 9 ASN HB3 1 34 ILE MG 3.500 . 4.000 3.936 3.463 4.267 0.267 5 0 "[ . 1 .]" 1
137 1 9 ASN HB2 1 34 ILE QG 2.500 . 3.000 2.402 1.780 3.390 0.390 12 0 "[ . 1 .]" 1
138 1 10 LEU H 1 10 LEU HG 4.500 . 5.500 3.652 2.480 4.205 . 0 0 "[ . 1 .]" 1
139 1 10 LEU HA 1 10 LEU QD 3.500 . 4.000 2.135 1.797 2.984 0.003 11 0 "[ . 1 .]" 1
140 1 10 LEU H 1 10 LEU QB 3.500 . 4.000 2.306 2.064 2.451 . 0 0 "[ . 1 .]" 1
141 1 10 LEU H 1 10 LEU HA 3.000 . 3.500 2.858 2.779 2.942 . 0 0 "[ . 1 .]" 1
142 1 10 LEU QD 1 11 ALA H 4.500 . 5.500 3.950 3.709 4.340 . 0 0 "[ . 1 .]" 1
143 1 10 LEU HA 1 11 ALA H 3.500 . 4.000 3.502 3.421 3.574 . 0 0 "[ . 1 .]" 1
144 1 10 LEU QB 1 11 ALA H 3.500 . 4.000 2.866 2.483 3.174 . 0 0 "[ . 1 .]" 1
145 1 10 LEU H 1 11 ALA H 3.000 . 3.500 2.549 2.086 2.866 . 0 0 "[ . 1 .]" 1
146 1 10 LEU QD 1 12 GLN H 4.500 . 5.500 5.041 4.618 5.299 . 0 0 "[ . 1 .]" 1
147 1 10 LEU QB 1 13 CYS H 4.500 . 5.500 4.626 4.339 4.924 . 0 0 "[ . 1 .]" 1
148 1 10 LEU QD 1 13 CYS QB 4.500 . 5.500 3.601 2.680 4.672 . 0 0 "[ . 1 .]" 1
149 1 10 LEU HA 1 13 CYS H 4.500 . 5.500 3.325 2.990 3.748 . 0 0 "[ . 1 .]" 1
150 1 10 LEU QD 1 13 CYS H 4.500 . 5.000 4.627 4.025 5.205 0.205 5 0 "[ . 1 .]" 1
151 1 10 LEU HA 1 13 CYS QB 4.000 . 4.500 2.811 2.195 3.186 . 0 0 "[ . 1 .]" 1
152 1 10 LEU QD 1 14 ILE H 4.500 . 5.500 4.949 4.376 5.535 0.035 10 0 "[ . 1 .]" 1
153 1 10 LEU HA 1 14 ILE H 4.500 . 5.500 4.155 3.647 4.962 . 0 0 "[ . 1 .]" 1
154 1 10 LEU QD 1 17 LEU MD1 4.500 . 5.500 3.322 2.308 4.096 . 0 0 "[ . 1 .]" 1
155 1 10 LEU QD 1 31 VAL HA 4.500 . 5.500 4.886 3.639 5.504 0.004 2 0 "[ . 1 .]" 1
156 1 10 LEU QD 1 31 VAL MG2 4.500 2.300 5.000 3.914 2.281 4.810 0.019 10 0 "[ . 1 .]" 1
157 1 10 LEU QD 1 51 LEU HA 4.500 . 5.000 3.231 2.804 3.889 . 0 0 "[ . 1 .]" 1
158 1 10 LEU QD 1 51 LEU QD 4.000 . 4.500 2.352 1.749 3.607 0.051 1 0 "[ . 1 .]" 1
159 1 10 LEU QD 1 54 ALA HA 5.000 . 6.000 3.998 3.404 4.841 . 0 0 "[ . 1 .]" 1
160 1 10 LEU QD 1 54 ALA MB 3.500 . 4.000 2.030 1.737 2.531 0.063 1 0 "[ . 1 .]" 1
161 1 11 ALA HA 1 12 GLN H 4.500 . 5.500 3.477 3.345 3.551 . 0 0 "[ . 1 .]" 1
162 1 11 ALA H 1 12 GLN QG 4.500 . 5.500 4.086 3.676 4.840 . 0 0 "[ . 1 .]" 1
163 1 11 ALA MB 1 12 GLN H 3.500 . 4.000 2.773 2.529 3.045 . 0 0 "[ . 1 .]" 1
164 1 11 ALA HA 1 13 CYS H 4.500 . 5.500 4.286 3.936 4.501 . 0 0 "[ . 1 .]" 1
165 1 11 ALA HA 1 14 ILE HB 5.000 . 6.000 2.988 2.220 3.735 . 0 0 "[ . 1 .]" 1
166 1 11 ALA MB 1 14 ILE H 5.000 . 6.000 4.637 4.379 4.918 . 0 0 "[ . 1 .]" 1
167 1 11 ALA HA 1 14 ILE HG13 4.000 . 4.500 3.183 2.018 4.455 . 0 0 "[ . 1 .]" 1
168 1 11 ALA HA 1 14 ILE H 3.500 . 4.000 3.579 3.283 4.043 0.043 7 0 "[ . 1 .]" 1
169 1 11 ALA HA 1 14 ILE MD 3.000 . 3.500 2.313 1.801 3.062 . 0 0 "[ . 1 .]" 1
170 1 10 LEU H 1 12 GLN H 4.500 . 5.500 4.310 3.938 4.500 . 0 0 "[ . 1 .]" 1
171 1 11 ALA H 1 12 GLN H 3.500 . 4.000 2.674 2.125 2.879 . 0 0 "[ . 1 .]" 1
172 1 12 GLN H 1 12 GLN QG 4.500 . 4.500 2.273 1.951 3.480 . 0 0 "[ . 1 .]" 1
173 1 12 GLN HA 1 12 GLN QG . . 3.000 2.762 2.521 2.988 . 0 0 "[ . 1 .]" 1
174 1 12 GLN H 1 12 GLN HA 3.000 . 3.500 2.889 2.842 2.932 . 0 0 "[ . 1 .]" 1
175 1 12 GLN QG 1 13 CYS H 5.000 . 5.500 3.973 3.787 4.450 . 0 0 "[ . 1 .]" 1
176 1 12 GLN HA 1 13 CYS H 3.500 . 4.000 3.456 3.270 3.528 . 0 0 "[ . 1 .]" 1
177 1 12 GLN QB 1 14 ILE H 4.000 . 4.500 4.558 4.399 4.672 0.172 6 0 "[ . 1 .]" 1
178 1 12 GLN H 1 14 ILE H 4.000 . 4.500 3.725 3.443 3.930 . 0 0 "[ . 1 .]" 1
179 1 12 GLN HA 1 15 GLY H 4.000 . 4.500 4.604 4.271 4.850 0.350 14 0 "[ . 1 .]" 1
180 1 11 ALA H 1 13 CYS H 4.500 . 5.500 4.093 3.753 4.296 . 0 0 "[ . 1 .]" 1
181 1 13 CYS H 1 13 CYS HA 3.000 . 3.500 2.901 2.855 2.935 . 0 0 "[ . 1 .]" 1
182 1 13 CYS HA 1 14 ILE H 4.500 . 5.500 3.358 3.192 3.463 . 0 0 "[ . 1 .]" 1
183 1 13 CYS QB 1 14 ILE H 3.500 . 4.000 3.179 2.945 3.435 . 0 0 "[ . 1 .]" 1
184 1 13 CYS H 1 14 ILE H 3.000 . 3.500 2.299 2.084 2.510 . 0 0 "[ . 1 .]" 1
185 1 13 CYS HA 1 15 GLY H 4.500 . 5.500 3.647 3.270 3.927 . 0 0 "[ . 1 .]" 1
186 1 13 CYS HA 1 16 PHE HB3 4.000 . 4.500 3.479 2.989 4.246 . 0 0 "[ . 1 .]" 1
187 1 13 CYS HA 1 16 PHE H 3.500 . 4.000 3.655 3.021 4.204 0.204 4 0 "[ . 1 .]" 1
188 1 13 CYS HA 1 17 LEU H 4.500 . 5.500 4.024 3.564 4.248 . 0 0 "[ . 1 .]" 1
189 1 13 CYS QB 1 17 LEU H 4.500 . 5.500 3.618 3.287 3.996 . 0 0 "[ . 1 .]" 1
190 1 13 CYS H 1 17 LEU HB2 4.500 . 5.500 5.158 4.678 5.560 0.060 9 0 "[ . 1 .]" 1
191 1 13 CYS QB 1 17 LEU MD2 3.500 . 4.000 2.837 1.779 3.512 0.021 13 0 "[ . 1 .]" 1
192 1 13 CYS QB 1 17 LEU MD1 3.000 . 3.500 2.852 1.953 3.823 0.323 13 0 "[ . 1 .]" 1
193 1 13 CYS QB 1 27 CYS HB2 5.000 . 6.000 3.794 3.527 4.015 . 0 0 "[ . 1 .]" 1
194 1 13 CYS QB 1 27 CYS HB3 5.000 . 6.000 4.580 4.383 4.929 . 0 0 "[ . 1 .]" 1
195 1 13 CYS H 1 14 ILE HA 4.500 . 5.500 4.752 4.373 5.050 . 0 0 "[ . 1 .]" 1
196 1 13 CYS H 1 14 ILE HB 4.500 . 5.500 4.346 3.992 4.618 . 0 0 "[ . 1 .]" 1
197 1 14 ILE HA 1 14 ILE MD 4.000 . 4.500 3.739 3.701 3.805 . 0 0 "[ . 1 .]" 1
198 1 14 ILE HA 1 14 ILE HG13 4.000 . 4.500 2.638 2.272 2.951 . 0 0 "[ . 1 .]" 1
199 1 14 ILE HA 1 14 ILE HG12 4.000 . 4.500 2.481 2.312 2.902 . 0 0 "[ . 1 .]" 1
200 1 14 ILE H 1 14 ILE MD 4.000 . 4.500 3.864 3.658 4.326 . 0 0 "[ . 1 .]" 1
201 1 14 ILE H 1 14 ILE HG12 4.000 . 4.500 3.916 3.432 4.533 0.033 5 0 "[ . 1 .]" 1
202 1 14 ILE HA 1 14 ILE MG 3.500 . 4.000 2.779 2.474 3.213 . 0 0 "[ . 1 .]" 1
203 1 14 ILE H 1 14 ILE HB 3.500 . 4.000 2.315 2.206 2.516 . 0 0 "[ . 1 .]" 1
204 1 14 ILE H 1 14 ILE HG13 3.500 . 4.000 2.893 2.211 4.196 0.196 14 0 "[ . 1 .]" 1
205 1 14 ILE H 1 14 ILE MG 3.500 . 4.000 3.452 2.401 3.784 . 0 0 "[ . 1 .]" 1
206 1 14 ILE H 1 14 ILE HA 3.000 . 3.500 2.757 2.702 2.799 . 0 0 "[ . 1 .]" 1
207 1 14 ILE HG13 1 14 ILE MG 3.000 . 3.500 3.209 3.196 3.224 . 0 0 "[ . 1 .]" 1
208 1 14 ILE HG12 1 14 ILE MG 2.500 . 3.000 2.411 2.372 2.443 . 0 0 "[ . 1 .]" 1
209 1 14 ILE HA 1 15 GLY H 4.500 . 5.500 3.529 3.502 3.564 . 0 0 "[ . 1 .]" 1
210 1 14 ILE HG13 1 15 GLY H 4.500 . 5.000 4.799 4.435 5.035 0.035 8 0 "[ . 1 .]" 1
211 1 14 ILE MG 1 15 GLY H 3.500 . 4.000 2.952 2.269 3.492 . 0 0 "[ . 1 .]" 1
212 1 14 ILE HB 1 15 GLY H 3.500 . 4.000 3.193 2.842 3.954 . 0 0 "[ . 1 .]" 1
213 1 14 ILE H 1 16 PHE H 4.500 . 5.500 4.674 4.325 5.098 . 0 0 "[ . 1 .]" 1
214 1 14 ILE HA 1 16 PHE H 4.500 . 5.500 4.370 3.351 5.201 . 0 0 "[ . 1 .]" 1
215 1 14 ILE HA 1 17 LEU HB2 5.000 . 6.000 2.221 1.660 3.212 0.140 7 0 "[ . 1 .]" 1
216 1 14 ILE HA 1 17 LEU H 3.500 . 4.000 3.338 2.979 3.937 . 0 0 "[ . 1 .]" 1
217 1 14 ILE HA 1 17 LEU HB3 3.500 . 4.000 2.113 1.585 3.820 0.215 3 0 "[ . 1 .]" 1
218 1 14 ILE HA 1 17 LEU HG 3.000 . 3.500 3.708 3.210 3.859 0.359 15 0 "[ . 1 .]" 1
219 1 14 ILE HA 1 17 LEU MD2 4.000 . 4.500 2.532 1.859 4.797 0.297 9 0 "[ . 1 .]" 1
220 1 14 ILE HA 1 18 GLN H 5.000 . 6.000 3.445 2.817 4.100 . 0 0 "[ . 1 .]" 1
221 1 14 ILE MG 1 15 GLY QA . . 3.500 3.025 2.708 3.393 . 0 0 "[ . 1 .]" 1
222 1 14 ILE H 1 15 GLY H 3.000 . 3.500 2.838 2.679 3.026 . 0 0 "[ . 1 .]" 1
223 1 15 GLY QA 1 16 PHE H 4.000 . 4.500 2.575 2.381 2.861 . 0 0 "[ . 1 .]" 1
224 1 15 GLY QA 1 16 PHE HB3 4.000 . 4.500 4.417 4.057 4.602 0.102 12 0 "[ . 1 .]" 1
225 1 15 GLY QA 1 18 GLN H 4.500 . 4.500 3.772 3.377 4.145 . 0 0 "[ . 1 .]" 1
226 1 15 GLY QA 1 19 LYS H 4.500 . 4.500 3.592 3.330 4.000 . 0 0 "[ . 1 .]" 1
227 1 15 GLY H 1 16 PHE H 3.000 . 3.500 2.899 2.690 3.074 . 0 0 "[ . 1 .]" 1
228 1 16 PHE HB3 1 16 PHE QE 4.500 . 5.500 4.407 4.393 4.430 . 0 0 "[ . 1 .]" 1
229 1 16 PHE H 1 16 PHE HB3 3.500 . 4.000 2.336 2.131 2.761 . 0 0 "[ . 1 .]" 1
230 1 16 PHE H 1 16 PHE HB2 3.500 . 4.000 3.051 2.696 3.857 . 0 0 "[ . 1 .]" 1
231 1 16 PHE HB3 1 17 LEU H 4.000 . 4.500 2.684 2.441 3.213 . 0 0 "[ . 1 .]" 1
232 1 16 PHE HA 1 17 LEU H 3.500 . 4.000 3.476 3.433 3.528 . 0 0 "[ . 1 .]" 1
233 1 16 PHE HB2 1 17 LEU H 3.500 . 4.000 3.963 3.810 4.030 0.030 13 0 "[ . 1 .]" 1
234 1 16 PHE H 1 17 LEU H 3.000 . 3.500 2.286 1.750 2.781 0.050 11 0 "[ . 1 .]" 1
235 1 16 PHE H 1 18 GLN H 5.000 . 6.000 3.800 2.917 4.303 . 0 0 "[ . 1 .]" 1
236 1 16 PHE HB2 1 18 GLN H 5.000 . 6.000 5.874 5.566 6.093 0.093 14 0 "[ . 1 .]" 1
237 1 16 PHE HA 1 18 GLN H 4.000 . 4.500 4.235 3.843 4.482 . 0 0 "[ . 1 .]" 1
238 1 16 PHE HB3 1 19 LYS H 5.000 . 6.000 5.965 5.725 6.120 0.120 2 0 "[ . 1 .]" 1
239 1 16 PHE HA 1 19 LYS QG 5.000 . 6.000 5.240 3.921 6.043 0.043 11 0 "[ . 1 .]" 1
240 1 16 PHE HA 1 19 LYS H 3.500 . 4.000 3.816 3.533 4.025 0.025 5 0 "[ . 1 .]" 1
241 1 16 PHE HA 1 20 GLY H 3.500 . 4.000 2.619 2.065 4.108 0.108 7 0 "[ . 1 .]" 1
242 1 16 PHE HB2 1 23 VAL MG2 3.500 . 4.000 3.564 2.808 4.065 0.065 15 0 "[ . 1 .]" 1
243 1 16 PHE HB3 1 23 VAL MG2 4.000 . 4.500 3.425 2.849 4.266 . 0 0 "[ . 1 .]" 1
244 1 13 CYS HA 1 17 LEU HB2 4.000 . 4.500 4.447 4.126 4.719 0.219 9 0 "[ . 1 .]" 1
245 1 16 PHE HB3 1 17 LEU HA 4.500 . 5.500 4.623 4.415 5.334 . 0 0 "[ . 1 .]" 1
246 1 17 LEU HA 1 17 LEU MD2 4.500 . 5.500 3.590 1.950 3.919 . 0 0 "[ . 1 .]" 1
247 1 17 LEU HA 1 17 LEU MD1 4.000 . 4.500 2.097 1.741 3.441 0.059 6 0 "[ . 1 .]" 1
248 1 17 LEU H 1 17 LEU MD2 4.000 . 4.500 3.736 2.395 4.126 . 0 0 "[ . 1 .]" 1
249 1 17 LEU H 1 17 LEU HG 4.000 . 4.500 4.255 2.882 4.497 . 0 0 "[ . 1 .]" 1
250 1 17 LEU H 1 17 LEU MD1 4.500 . 5.000 3.489 2.447 4.132 . 0 0 "[ . 1 .]" 1
251 1 17 LEU HA 1 17 LEU HG 3.500 . 4.000 3.007 2.614 3.684 . 0 0 "[ . 1 .]" 1
252 1 17 LEU H 1 17 LEU HB3 3.500 . 4.000 2.948 2.452 3.554 . 0 0 "[ . 1 .]" 1
253 1 17 LEU H 1 17 LEU HB2 3.500 . 4.000 2.105 1.940 2.320 . 0 0 "[ . 1 .]" 1
254 1 17 LEU H 1 17 LEU HA 3.000 . 3.500 2.754 2.676 2.799 . 0 0 "[ . 1 .]" 1
255 1 17 LEU HA 1 18 GLN H 4.500 . 5.500 3.551 3.495 3.586 . 0 0 "[ . 1 .]" 1
256 1 17 LEU HB3 1 18 GLN H 4.500 . 5.500 2.685 2.069 3.616 . 0 0 "[ . 1 .]" 1
257 1 17 LEU MD1 1 18 GLN H 4.500 . 5.000 4.584 4.367 4.972 . 0 0 "[ . 1 .]" 1
258 1 17 LEU HB2 1 18 GLN H 3.500 . 4.000 3.327 2.668 4.008 0.008 11 0 "[ . 1 .]" 1
259 1 17 LEU MD2 1 18 GLN H 4.500 . 5.500 4.328 3.836 4.610 . 0 0 "[ . 1 .]" 1
260 1 17 LEU H 1 18 GLN H 3.000 . 3.500 2.837 2.700 3.075 . 0 0 "[ . 1 .]" 1
261 1 17 LEU HA 1 20 GLY H 5.000 . 6.000 5.374 4.610 6.071 0.071 1 0 "[ . 1 .]" 1
262 1 17 LEU HA 1 62 ASN H 5.000 . 6.000 5.055 4.015 6.208 0.208 7 0 "[ . 1 .]" 1
263 1 17 LEU HA 1 65 ASN H 4.500 . 5.500 4.808 4.300 5.369 . 0 0 "[ . 1 .]" 1
264 1 18 GLN HA 1 18 GLN HG3 4.000 . 4.500 2.846 2.486 3.615 . 0 0 "[ . 1 .]" 1
265 1 18 GLN H 1 18 GLN HG3 4.000 . 4.500 4.044 2.359 4.599 0.099 12 0 "[ . 1 .]" 1
266 1 18 GLN HA 1 18 GLN HG2 3.500 . 4.000 2.865 2.329 3.302 . 0 0 "[ . 1 .]" 1
267 1 18 GLN H 1 18 GLN QB 3.500 . 4.000 2.253 2.093 2.391 . 0 0 "[ . 1 .]" 1
268 1 18 GLN H 1 18 GLN HA 3.000 . 3.500 2.900 2.857 2.935 . 0 0 "[ . 1 .]" 1
269 1 18 GLN H 1 18 GLN HG2 3.500 . 4.000 4.088 3.421 4.376 0.376 7 0 "[ . 1 .]" 1
270 1 18 GLN HG3 1 19 LYS H 4.000 . 4.500 4.347 3.960 4.617 0.117 7 0 "[ . 1 .]" 1
271 1 18 GLN HG2 1 19 LYS H 3.500 . 4.000 3.691 2.735 4.686 0.686 13 2 "[ .- 1 + .]" 1
272 1 18 GLN HA 1 19 LYS H 3.500 . 4.000 3.546 3.460 3.608 . 0 0 "[ . 1 .]" 1
273 1 18 GLN QB 1 19 LYS H 3.500 . 4.000 2.219 1.774 2.517 0.026 2 0 "[ . 1 .]" 1
274 1 18 GLN H 1 19 LYS H 3.000 . 3.500 2.462 2.197 2.883 . 0 0 "[ . 1 .]" 1
275 1 19 LYS H 1 19 LYS QE 4.000 . 4.500 4.157 3.606 4.518 0.018 7 0 "[ . 1 .]" 1
276 1 19 LYS QB 1 19 LYS QE 3.500 . 4.000 2.635 1.764 3.859 0.036 2 0 "[ . 1 .]" 1
277 1 19 LYS HA 1 19 LYS QD 3.500 . 4.000 3.529 1.970 4.203 0.203 1 0 "[ . 1 .]" 1
278 1 19 LYS QB 1 19 LYS QZ 3.500 . 4.000 3.289 1.810 4.099 0.099 5 0 "[ . 1 .]" 1
279 1 19 LYS H 1 19 LYS QG 3.500 . 4.000 3.124 2.045 4.147 0.147 2 0 "[ . 1 .]" 1
280 1 19 LYS H 1 19 LYS HA 3.000 . 3.500 2.896 2.770 2.955 . 0 0 "[ . 1 .]" 1
281 1 19 LYS QB 1 19 LYS QD 2.500 . 3.000 2.315 2.092 2.796 . 0 0 "[ . 1 .]" 1
282 1 19 LYS H 1 19 LYS QB 2.500 . 3.000 2.500 2.246 3.071 0.071 1 0 "[ . 1 .]" 1
283 1 19 LYS QG 1 20 GLY H 4.500 . 5.500 4.001 2.825 4.709 . 0 0 "[ . 1 .]" 1
284 1 19 LYS HA 1 20 GLY H 4.000 . 4.500 3.136 2.158 3.567 . 0 0 "[ . 1 .]" 1
285 1 19 LYS QB 1 20 GLY H 4.000 . 4.500 2.854 1.779 3.958 0.021 4 0 "[ . 1 .]" 1
286 1 18 GLN H 1 20 GLY H 4.500 . 5.500 4.230 3.430 5.422 . 0 0 "[ . 1 .]" 1
287 1 19 LYS H 1 20 GLY H 3.500 . 4.000 2.907 2.108 4.014 0.014 1 0 "[ . 1 .]" 1
288 1 20 GLY H 1 20 GLY HA3 3.000 . 3.500 2.764 2.285 2.954 . 0 0 "[ . 1 .]" 1
289 1 20 GLY H 1 20 GLY HA2 2.500 . 3.000 2.581 2.312 2.958 . 0 0 "[ . 1 .]" 1
290 1 20 GLY H 1 21 GLY H 4.500 . 5.500 3.749 2.071 4.544 . 0 0 "[ . 1 .]" 1
291 1 20 GLY HA3 1 21 GLY H 3.500 . 4.000 3.017 2.310 3.563 . 0 0 "[ . 1 .]" 1
292 1 20 GLY HA2 1 21 GLY H 3.500 . 4.000 2.524 2.140 3.567 . 0 0 "[ . 1 .]" 1
293 1 21 GLY H 1 21 GLY HA3 3.000 . 3.500 2.756 2.326 2.956 . 0 0 "[ . 1 .]" 1
294 1 21 GLY H 1 21 GLY HA2 3.000 . 3.500 2.740 2.343 2.958 . 0 0 "[ . 1 .]" 1
295 1 21 GLY HA2 1 22 VAL H 4.500 . 5.500 3.276 2.033 3.566 . 0 0 "[ . 1 .]" 1
296 1 21 GLY HA2 1 22 VAL MG1 4.500 . 5.500 4.188 3.414 4.760 . 0 0 "[ . 1 .]" 1
297 1 21 GLY HA3 1 22 VAL HB 4.500 . 5.500 4.834 4.135 5.754 0.254 6 0 "[ . 1 .]" 1
298 1 21 GLY H 1 22 VAL H 3.500 . 4.000 3.343 2.034 4.061 0.061 13 0 "[ . 1 .]" 1
299 1 21 GLY HA3 1 22 VAL H 3.000 . 3.500 2.462 2.118 3.195 . 0 0 "[ . 1 .]" 1
300 1 21 GLY HA3 1 22 VAL MG1 3.000 . 3.500 3.481 3.240 3.705 0.205 11 0 "[ . 1 .]" 1
301 1 22 VAL H 1 22 VAL HB 3.500 . 4.000 3.429 2.719 3.989 . 0 0 "[ . 1 .]" 1
302 1 22 VAL H 1 22 VAL MG1 3.500 . 4.000 2.499 1.707 3.184 0.093 11 0 "[ . 1 .]" 1
303 1 22 VAL H 1 22 VAL MG2 4.000 . 4.500 3.424 2.018 4.063 . 0 0 "[ . 1 .]" 1
304 1 22 VAL H 1 22 VAL HA 3.000 . 3.500 2.819 2.220 2.946 . 0 0 "[ . 1 .]" 1
305 1 22 VAL HA 1 22 VAL MG2 3.500 . 4.000 2.677 2.342 3.224 . 0 0 "[ . 1 .]" 1
306 1 22 VAL HA 1 23 VAL H 3.500 . 4.000 2.245 2.079 2.356 . 0 0 "[ . 1 .]" 1
307 1 22 VAL MG2 1 24 PRO HD2 4.500 . 5.000 5.111 4.708 5.655 0.655 9 2 "[ . +1 - .]" 1
308 1 16 PHE H 1 23 VAL MG2 5.000 . 6.000 5.327 4.625 6.036 0.036 11 0 "[ . 1 .]" 1
309 1 16 PHE HZ 1 23 VAL MG1 5.000 . 6.000 5.677 3.864 6.069 0.069 14 0 "[ . 1 .]" 1
310 1 16 PHE QD 1 23 VAL MG1 4.500 . 5.500 4.206 3.144 4.744 . 0 0 "[ . 1 .]" 1
311 1 16 PHE QE 1 23 VAL MG1 4.500 . 5.500 4.637 2.836 5.071 . 0 0 "[ . 1 .]" 1
312 1 16 PHE HZ 1 23 VAL MG2 4.500 . 5.500 3.477 2.722 3.940 . 0 0 "[ . 1 .]" 1
313 1 16 PHE QE 1 23 VAL MG2 4.000 . 4.500 2.982 2.681 3.282 . 0 0 "[ . 1 .]" 1
314 1 16 PHE QD 1 23 VAL MG2 3.500 . 4.000 2.873 2.648 3.122 . 0 0 "[ . 1 .]" 1
315 1 22 VAL H 1 23 VAL MG2 4.500 . 5.500 4.749 4.137 5.149 . 0 0 "[ . 1 .]" 1
316 1 22 VAL MG2 1 23 VAL H 3.500 . 4.000 2.821 2.140 3.828 . 0 0 "[ . 1 .]" 1
317 1 22 VAL MG1 1 23 VAL H 4.000 . 4.500 3.854 3.594 4.255 . 0 0 "[ . 1 .]" 1
318 1 23 VAL H 1 23 VAL MG1 4.000 . 4.500 3.806 3.770 3.842 . 0 0 "[ . 1 .]" 1
319 1 23 VAL HA 1 23 VAL MG1 3.500 . 4.000 2.402 2.362 2.459 . 0 0 "[ . 1 .]" 1
320 1 23 VAL HA 1 23 VAL MG2 3.500 . 4.000 2.357 2.324 2.419 . 0 0 "[ . 1 .]" 1
321 1 23 VAL H 1 23 VAL HB 3.500 . 4.000 2.532 2.448 2.612 . 0 0 "[ . 1 .]" 1
322 1 23 VAL H 1 23 VAL MG2 3.500 . 4.000 2.459 2.147 2.621 . 0 0 "[ . 1 .]" 1
323 1 23 VAL H 1 23 VAL HA 3.000 . 3.500 2.919 2.851 2.944 . 0 0 "[ . 1 .]" 1
324 1 23 VAL HA 1 24 PRO HD3 3.500 . 4.000 2.018 1.706 2.374 0.094 11 0 "[ . 1 .]" 1
325 1 23 VAL MG1 1 27 CYS H 4.500 . 5.000 4.436 3.881 4.732 . 0 0 "[ . 1 .]" 1
326 1 23 VAL MG2 1 28 CYS H 5.000 . 6.000 5.909 5.537 6.033 0.033 12 0 "[ . 1 .]" 1
327 1 23 VAL MG1 1 28 CYS H 4.000 . 4.500 3.363 2.981 3.549 . 0 0 "[ . 1 .]" 1
328 1 23 VAL MG1 1 28 CYS HA 3.500 . 4.000 3.926 3.636 4.084 0.084 10 0 "[ . 1 .]" 1
329 1 23 VAL MG1 1 72 LYS H 5.000 . 6.000 4.549 3.365 5.381 . 0 0 "[ . 1 .]" 1
330 1 23 VAL MG2 1 72 LYS HA 4.500 . 5.500 4.985 4.722 5.540 0.040 14 0 "[ . 1 .]" 1
331 1 23 VAL MG2 1 72 LYS QE 4.500 . 5.500 3.143 1.913 4.611 . 0 0 "[ . 1 .]" 1
332 1 23 VAL MG2 1 72 LYS H 4.500 . 5.000 4.348 3.401 5.053 0.053 10 0 "[ . 1 .]" 1
333 1 23 VAL MG1 1 72 LYS QB 4.000 . 4.500 2.587 2.008 3.284 . 0 0 "[ . 1 .]" 1
334 1 23 VAL MG2 1 72 LYS HD3 4.000 . 4.500 3.880 2.657 4.468 . 0 0 "[ . 1 .]" 1
335 1 23 VAL MG2 1 72 LYS HD2 4.000 . 4.500 4.457 3.859 4.575 0.075 7 0 "[ . 1 .]" 1
336 1 23 VAL MG1 1 72 LYS QG 3.500 . 4.000 3.467 3.025 4.037 0.037 3 0 "[ . 1 .]" 1
337 1 23 VAL MG2 1 72 LYS QB 3.000 . 3.500 2.636 2.332 3.060 . 0 0 "[ . 1 .]" 1
338 1 23 VAL MG2 1 72 LYS QG 3.000 . 3.500 2.275 1.790 3.349 0.010 8 0 "[ . 1 .]" 1
339 1 23 VAL MG2 1 24 PRO HG3 4.500 . 5.500 5.728 5.549 5.953 0.453 7 0 "[ . 1 .]" 1
340 1 23 VAL MG2 1 24 PRO HD3 4.500 . 5.500 3.972 3.631 4.354 . 0 0 "[ . 1 .]" 1
341 1 23 VAL MG1 1 24 PRO HD3 4.000 . 4.500 3.432 2.986 3.935 . 0 0 "[ . 1 .]" 1
342 1 23 VAL MG1 1 24 PRO HD2 4.000 . 4.500 2.542 2.282 2.846 . 0 0 "[ . 1 .]" 1
343 1 23 VAL MG2 1 24 PRO HD2 4.000 . 4.500 3.893 3.592 4.250 . 0 0 "[ . 1 .]" 1
344 1 23 VAL HB 1 24 PRO HD2 4.000 . 4.500 4.616 4.382 4.954 0.454 8 0 "[ . 1 .]" 1
345 1 23 VAL HA 1 24 PRO HD2 3.000 . 3.500 2.378 1.945 2.797 . 0 0 "[ . 1 .]" 1
346 1 24 PRO HA 1 24 PRO HD3 4.500 . 5.500 3.826 3.670 3.992 . 0 0 "[ . 1 .]" 1
347 1 24 PRO HB2 1 24 PRO HD3 3.500 . 4.000 3.945 3.916 3.980 . 0 0 "[ . 1 .]" 1
348 1 24 PRO HB2 1 24 PRO HG2 2.500 . 3.000 2.312 2.283 2.335 . 0 0 "[ . 1 .]" 1
349 1 24 PRO HB3 1 25 PRO HD2 4.500 . 5.500 3.273 2.686 3.793 . 0 0 "[ . 1 .]" 1
350 1 24 PRO HA 1 25 PRO HD3 4.000 . 4.500 2.109 1.797 2.502 0.003 13 0 "[ . 1 .]" 1
351 1 24 PRO HA 1 25 PRO HD2 3.500 . 4.000 2.488 2.073 2.841 . 0 0 "[ . 1 .]" 1
352 1 24 PRO HG2 1 26 SER HB2 4.500 . 5.500 3.536 2.736 4.364 . 0 0 "[ . 1 .]" 1
353 1 24 PRO HB2 1 27 CYS HB3 4.500 . 5.500 3.787 2.893 4.549 . 0 0 "[ . 1 .]" 1
354 1 24 PRO HD3 1 27 CYS HB2 4.000 . 4.500 4.366 3.976 4.636 0.136 11 0 "[ . 1 .]" 1
355 1 24 PRO HD3 1 27 CYS HB3 3.500 . 4.000 3.953 3.554 4.320 0.320 9 0 "[ . 1 .]" 1
356 1 24 PRO HB3 1 25 PRO HD3 4.500 . 5.500 3.935 3.343 4.490 . 0 0 "[ . 1 .]" 1
357 1 25 PRO HA 1 25 PRO HD2 4.500 . 5.500 3.993 3.913 4.103 . 0 0 "[ . 1 .]" 1
358 1 25 PRO HA 1 25 PRO HG2 4.000 . 4.500 3.933 3.857 4.033 . 0 0 "[ . 1 .]" 1
359 1 25 PRO HB3 1 25 PRO HD3 4.000 . 4.500 3.622 2.954 4.060 . 0 0 "[ . 1 .]" 1
360 1 25 PRO HB3 1 25 PRO HD2 4.000 . 4.500 3.888 3.872 3.913 . 0 0 "[ . 1 .]" 1
361 1 25 PRO HB2 1 25 PRO HD3 3.500 . 4.000 3.895 3.865 3.922 . 0 0 "[ . 1 .]" 1
362 1 25 PRO HG3 1 26 SER H 4.500 . 5.500 4.587 4.303 4.805 . 0 0 "[ . 1 .]" 1
363 1 25 PRO HB3 1 26 SER H 4.000 . 4.500 4.375 4.281 4.538 0.038 13 0 "[ . 1 .]" 1
364 1 25 PRO HB2 1 26 SER H 3.500 . 4.000 3.495 3.163 3.985 . 0 0 "[ . 1 .]" 1
365 1 25 PRO HA 1 28 CYS HB3 4.000 . 4.500 3.264 1.883 4.062 . 0 0 "[ . 1 .]" 1
366 1 25 PRO HA 1 28 CYS HB2 3.500 . 4.000 2.280 1.760 3.717 0.040 2 0 "[ . 1 .]" 1
367 1 24 PRO HA 1 26 SER H 4.500 . 5.500 3.709 3.594 3.924 . 0 0 "[ . 1 .]" 1
368 1 24 PRO HB3 1 26 SER H 4.000 . 4.500 3.720 3.417 3.967 . 0 0 "[ . 1 .]" 1
369 1 24 PRO HB2 1 26 SER H 3.500 . 4.000 2.276 2.144 2.511 . 0 0 "[ . 1 .]" 1
370 1 26 SER H 1 26 SER HB2 3.500 . 4.000 2.588 2.448 2.683 . 0 0 "[ . 1 .]" 1
371 1 26 SER H 1 26 SER HB3 3.500 . 4.000 3.589 3.558 3.650 . 0 0 "[ . 1 .]" 1
372 1 26 SER H 1 26 SER HA 3.000 . 3.500 2.875 2.845 2.930 . 0 0 "[ . 1 .]" 1
373 1 26 SER HB3 1 27 CYS HA 4.500 . 5.500 4.716 4.477 4.855 . 0 0 "[ . 1 .]" 1
374 1 26 SER H 1 27 CYS HB3 4.500 . 5.500 4.115 3.624 4.529 . 0 0 "[ . 1 .]" 1
375 1 26 SER HA 1 27 CYS H 4.000 . 4.500 3.522 3.481 3.536 . 0 0 "[ . 1 .]" 1
376 1 26 SER HB2 1 27 CYS H 3.500 . 4.000 2.135 1.983 2.387 . 0 0 "[ . 1 .]" 1
377 1 26 SER HB2 1 27 CYS HB3 3.500 . 4.000 4.298 4.079 4.776 0.776 9 4 "[ .- +1 * *]" 1
378 1 26 SER H 1 27 CYS H 3.000 . 3.500 2.446 2.081 2.640 . 0 0 "[ . 1 .]" 1
379 1 26 SER H 1 28 CYS HA 5.000 . 6.000 6.237 6.123 6.293 0.293 15 0 "[ . 1 .]" 1
380 1 26 SER H 1 28 CYS H 5.000 . 6.000 3.550 3.404 3.605 . 0 0 "[ . 1 .]" 1
381 1 26 SER HA 1 28 CYS H 4.500 . 5.500 4.447 4.337 4.658 . 0 0 "[ . 1 .]" 1
382 1 26 SER HA 1 29 THR MG 4.000 . 4.500 4.224 3.753 4.494 . 0 0 "[ . 1 .]" 1
383 1 26 SER HA 1 29 THR H 3.500 . 4.000 3.439 3.208 3.577 . 0 0 "[ . 1 .]" 1
384 1 26 SER HA 1 29 THR HB 3.500 . 4.000 2.969 2.504 3.327 . 0 0 "[ . 1 .]" 1
385 1 26 SER HA 1 30 GLY H 4.500 . 5.500 4.422 3.784 4.787 . 0 0 "[ . 1 .]" 1
386 1 12 GLN QG 1 27 CYS HA 3.500 . 4.000 3.121 2.743 3.442 . 0 0 "[ . 1 .]" 1
387 1 13 CYS H 1 27 CYS HB3 4.500 . 5.500 5.118 4.707 5.497 . 0 0 "[ . 1 .]" 1
388 1 13 CYS QB 1 27 CYS HA 4.500 . 5.000 4.769 4.422 4.998 . 0 0 "[ . 1 .]" 1
389 1 23 VAL MG1 1 27 CYS HB2 3.500 . 4.000 3.856 3.382 4.084 0.084 13 0 "[ . 1 .]" 1
390 1 23 VAL MG1 1 27 CYS HB3 3.000 . 3.500 2.795 2.275 3.096 . 0 0 "[ . 1 .]" 1
391 1 24 PRO HB3 1 27 CYS HB3 5.000 . 6.000 4.918 4.358 5.683 . 0 0 "[ . 1 .]" 1
392 1 24 PRO HG2 1 27 CYS HB2 4.500 . 5.500 2.944 2.111 3.846 . 0 0 "[ . 1 .]" 1
393 1 24 PRO HG2 1 27 CYS HB3 4.500 . 5.500 2.834 1.598 4.398 0.202 7 0 "[ . 1 .]" 1
394 1 27 CYS H 1 27 CYS HB2 4.000 . 4.500 2.701 2.496 2.969 . 0 0 "[ . 1 .]" 1
395 1 27 CYS H 1 27 CYS HB3 3.500 . 4.000 2.294 2.018 2.568 . 0 0 "[ . 1 .]" 1
396 1 27 CYS H 1 27 CYS HA 3.000 . 3.500 2.771 2.735 2.830 . 0 0 "[ . 1 .]" 1
397 1 27 CYS HB3 1 28 CYS H 3.500 . 4.000 2.540 2.325 2.812 . 0 0 "[ . 1 .]" 1
398 1 27 CYS HA 1 28 CYS H 3.500 . 4.000 3.556 3.536 3.580 . 0 0 "[ . 1 .]" 1
399 1 27 CYS H 1 28 CYS H 3.000 . 3.500 2.772 2.566 2.942 . 0 0 "[ . 1 .]" 1
400 1 27 CYS HA 1 29 THR H 5.000 . 6.000 4.347 4.064 4.693 . 0 0 "[ . 1 .]" 1
401 1 27 CYS HA 1 29 THR MG 5.000 . 6.000 6.075 6.011 6.141 0.141 10 0 "[ . 1 .]" 1
402 1 27 CYS HA 1 30 GLY H 4.000 . 4.500 3.430 3.193 3.685 . 0 0 "[ . 1 .]" 1
403 1 27 CYS HA 1 31 VAL H 4.000 . 4.500 4.108 3.737 4.514 0.014 2 0 "[ . 1 .]" 1
404 1 24 PRO HB2 1 28 CYS H 4.500 . 5.500 4.581 4.279 5.067 . 0 0 "[ . 1 .]" 1
405 1 26 SER HB3 1 28 CYS H 5.000 . 6.000 5.624 5.367 5.824 . 0 0 "[ . 1 .]" 1
406 1 26 SER HB2 1 28 CYS H 4.500 . 5.500 4.697 4.507 4.886 . 0 0 "[ . 1 .]" 1
407 1 28 CYS H 1 28 CYS HB3 4.000 . 4.500 3.290 2.066 3.574 . 0 0 "[ . 1 .]" 1
408 1 28 CYS H 1 28 CYS HB2 3.500 . 4.000 2.418 2.196 3.203 . 0 0 "[ . 1 .]" 1
409 1 28 CYS H 1 28 CYS HA 3.000 . 3.500 2.762 2.731 2.821 . 0 0 "[ . 1 .]" 1
410 1 28 CYS HA 1 28 CYS HB3 2.500 . 3.000 2.677 2.556 2.993 . 0 0 "[ . 1 .]" 1
411 1 28 CYS H 1 29 THR HA 5.000 . 6.000 5.342 5.213 5.425 . 0 0 "[ . 1 .]" 1
412 1 28 CYS H 1 29 THR HB 5.000 . 6.000 4.946 4.601 5.079 . 0 0 "[ . 1 .]" 1
413 1 28 CYS H 1 29 THR MG 5.000 . 6.000 5.979 5.745 6.039 0.039 5 0 "[ . 1 .]" 1
414 1 28 CYS HB2 1 29 THR H 4.000 . 4.500 3.160 2.713 4.136 . 0 0 "[ . 1 .]" 1
415 1 28 CYS HB3 1 29 THR H 4.000 . 4.500 3.398 2.523 3.765 . 0 0 "[ . 1 .]" 1
416 1 28 CYS HA 1 29 THR H 3.500 . 4.000 3.503 3.456 3.548 . 0 0 "[ . 1 .]" 1
417 1 28 CYS HA 1 30 GLY H 4.500 . 5.500 4.331 4.135 4.620 . 0 0 "[ . 1 .]" 1
418 1 28 CYS H 1 31 VAL HB 5.000 . 6.000 5.424 4.936 5.881 . 0 0 "[ . 1 .]" 1
419 1 28 CYS HB2 1 31 VAL HB 4.500 . 5.500 5.530 4.524 6.183 0.683 3 2 "[ + . - .]" 1
420 1 28 CYS HA 1 31 VAL HB 3.500 . 4.000 2.893 2.465 3.345 . 0 0 "[ . 1 .]" 1
421 1 28 CYS HA 1 31 VAL H 3.500 . 4.000 3.399 3.173 3.704 . 0 0 "[ . 1 .]" 1
422 1 28 CYS HA 1 32 LYS H 3.500 . 4.000 3.902 3.692 4.015 0.015 4 0 "[ . 1 .]" 1
423 1 28 CYS HB2 1 73 CYS HB2 4.500 . 5.500 4.919 1.792 5.649 0.149 10 0 "[ . 1 .]" 1
424 1 28 CYS HA 1 73 CYS HB3 3.500 . 4.000 3.103 2.579 3.986 . 0 0 "[ . 1 .]" 1
425 1 27 CYS H 1 29 THR H 4.600 . 5.600 4.175 4.062 4.369 . 0 0 "[ . 1 .]" 1
426 1 28 CYS H 1 29 THR H 3.000 . 3.500 2.770 2.597 2.904 . 0 0 "[ . 1 .]" 1
427 1 29 THR H 1 29 THR MG 3.500 . 4.000 3.748 3.705 3.772 . 0 0 "[ . 1 .]" 1
428 1 29 THR HA 1 29 THR MG 3.500 . 4.000 2.458 2.404 2.576 . 0 0 "[ . 1 .]" 1
429 1 29 THR H 1 29 THR HB 3.000 . 3.500 2.460 2.315 2.538 . 0 0 "[ . 1 .]" 1
430 1 29 THR H 1 30 GLY HA2 5.000 . 6.000 5.248 5.065 5.409 . 0 0 "[ . 1 .]" 1
431 1 29 THR MG 1 30 GLY H 4.500 . 5.500 3.415 3.118 3.590 . 0 0 "[ . 1 .]" 1
432 1 29 THR HA 1 30 GLY H 4.000 . 4.500 3.541 3.518 3.570 . 0 0 "[ . 1 .]" 1
433 1 29 THR HB 1 30 GLY H 3.500 . 4.000 2.681 2.525 2.808 . 0 0 "[ . 1 .]" 1
434 1 29 THR H 1 30 GLY H 3.000 . 3.500 2.626 2.394 2.839 . 0 0 "[ . 1 .]" 1
435 1 29 THR H 1 31 VAL MG2 4.500 . 5.500 4.659 4.406 5.451 . 0 0 "[ . 1 .]" 1
436 1 29 THR HB 1 31 VAL H 4.500 . 5.500 5.106 4.953 5.377 . 0 0 "[ . 1 .]" 1
437 1 29 THR MG 1 32 LYS H 4.500 . 5.500 4.832 4.633 5.215 . 0 0 "[ . 1 .]" 1
438 1 29 THR HA 1 32 LYS QB 4.500 . 5.500 2.720 2.233 4.341 . 0 0 "[ . 1 .]" 1
439 1 29 THR HA 1 32 LYS QE 4.500 . 5.500 4.415 3.193 5.468 . 0 0 "[ . 1 .]" 1
440 1 29 THR HA 1 32 LYS H 3.500 . 4.000 3.562 3.271 3.902 . 0 0 "[ . 1 .]" 1
441 1 29 THR MG 1 33 ASN H 4.500 . 5.500 4.258 3.912 4.838 . 0 0 "[ . 1 .]" 1
442 1 29 THR HA 1 33 ASN H 4.500 . 5.500 4.311 3.891 5.062 . 0 0 "[ . 1 .]" 1
443 1 29 THR HA 1 73 CYS HB3 4.500 . 5.500 5.692 5.488 6.381 0.881 5 2 "[- + 1 .]" 1
444 1 27 CYS HA 1 30 GLY HA2 4.500 . 5.500 5.484 5.119 5.910 0.410 13 0 "[ . 1 .]" 1
445 1 30 GLY H 1 30 GLY HA3 3.000 . 3.500 2.301 2.294 2.313 . 0 0 "[ . 1 .]" 1
446 1 30 GLY H 1 30 GLY HA2 3.000 . 3.500 2.846 2.826 2.868 . 0 0 "[ . 1 .]" 1
447 1 30 GLY HA3 1 31 VAL H 3.500 . 4.000 2.823 2.683 2.885 . 0 0 "[ . 1 .]" 1
448 1 30 GLY HA2 1 31 VAL H 3.500 . 4.000 3.542 3.511 3.565 . 0 0 "[ . 1 .]" 1
449 1 30 GLY HA3 1 32 LYS H 4.500 . 5.500 4.790 4.361 5.158 . 0 0 "[ . 1 .]" 1
450 1 30 GLY HA2 1 33 ASN HB2 4.000 . 4.500 2.558 2.120 3.523 . 0 0 "[ . 1 .]" 1
451 1 30 GLY HA2 1 33 ASN HB3 3.500 . 4.000 3.280 2.529 4.024 0.024 14 0 "[ . 1 .]" 1
452 1 30 GLY HA3 1 33 ASN H 3.500 . 4.000 4.317 4.113 4.505 0.505 15 1 "[ . 1 +]" 1
453 1 30 GLY HA2 1 34 ILE H 4.500 . 5.500 4.240 3.979 5.041 . 0 0 "[ . 1 .]" 1
454 1 30 GLY H 1 31 VAL H 3.000 . 3.500 2.624 2.512 2.716 . 0 0 "[ . 1 .]" 1
455 1 31 VAL H 1 31 VAL MG1 4.500 . 5.500 3.770 3.751 3.783 . 0 0 "[ . 1 .]" 1
456 1 31 VAL H 1 31 VAL MG2 4.000 . 4.500 1.949 1.794 2.149 0.006 7 0 "[ . 1 .]" 1
457 1 31 VAL HA 1 31 VAL MG1 3.500 . 4.000 2.339 2.229 2.436 . 0 0 "[ . 1 .]" 1
458 1 31 VAL HA 1 31 VAL MG2 3.500 . 4.000 2.472 2.350 2.613 . 0 0 "[ . 1 .]" 1
459 1 31 VAL H 1 31 VAL HB 3.500 . 4.000 2.676 2.519 2.850 . 0 0 "[ . 1 .]" 1
460 1 31 VAL H 1 31 VAL HA 3.000 . 3.500 2.817 2.797 2.840 . 0 0 "[ . 1 .]" 1
461 1 31 VAL HA 1 31 VAL HB 2.500 . 3.000 3.023 3.009 3.031 0.031 4 0 "[ . 1 .]" 1
462 1 31 VAL MG1 1 32 LYS H 4.000 . 4.500 3.480 3.205 3.739 . 0 0 "[ . 1 .]" 1
463 1 31 VAL MG2 1 32 LYS H 4.000 . 4.500 3.605 3.312 3.941 . 0 0 "[ . 1 .]" 1
464 1 31 VAL HA 1 32 LYS H 4.000 . 4.500 3.540 3.482 3.584 . 0 0 "[ . 1 .]" 1
465 1 31 VAL HB 1 32 LYS H 3.500 . 4.000 2.434 2.234 2.943 . 0 0 "[ . 1 .]" 1
466 1 31 VAL H 1 32 LYS H 3.000 . 3.500 2.690 2.596 2.876 . 0 0 "[ . 1 .]" 1
467 1 31 VAL H 1 33 ASN HB2 5.000 . 6.000 5.057 4.656 5.908 . 0 0 "[ . 1 .]" 1
468 1 31 VAL HA 1 33 ASN H 4.500 . 5.500 3.988 3.585 4.171 . 0 0 "[ . 1 .]" 1
469 1 31 VAL HA 1 34 ILE MD 5.000 . 6.000 4.787 4.452 5.154 . 0 0 "[ . 1 .]" 1
470 1 31 VAL HA 1 34 ILE HB 3.500 . 4.000 2.982 2.566 3.414 . 0 0 "[ . 1 .]" 1
471 1 31 VAL HA 1 34 ILE H 3.500 . 4.000 3.399 2.827 3.642 . 0 0 "[ . 1 .]" 1
472 1 31 VAL HA 1 35 LEU H 4.500 . 5.500 4.409 3.999 4.950 . 0 0 "[ . 1 .]" 1
473 1 31 VAL MG2 1 73 CYS HB3 4.500 . 5.500 4.256 3.782 5.305 . 0 0 "[ . 1 .]" 1
474 1 31 VAL HB 1 75 VAL MG2 4.000 . 4.500 3.394 2.782 4.069 . 0 0 "[ . 1 .]" 1
475 1 30 GLY H 1 32 LYS H 4.500 . 5.500 4.127 3.840 4.479 . 0 0 "[ . 1 .]" 1
476 1 32 LYS H 1 32 LYS QD 4.500 . 5.500 4.357 3.743 4.700 . 0 0 "[ . 1 .]" 1
477 1 32 LYS H 1 32 LYS QE 4.500 . 5.500 4.173 3.489 4.737 . 0 0 "[ . 1 .]" 1
478 1 32 LYS HA 1 32 LYS QD 4.000 . 4.500 3.817 2.007 4.518 0.018 15 0 "[ . 1 .]" 1
479 1 32 LYS QB 1 32 LYS QE 4.000 . 4.500 2.311 1.791 3.668 0.009 3 0 "[ . 1 .]" 1
480 1 32 LYS H 1 32 LYS QG 4.000 . 4.500 3.320 2.152 4.045 . 0 0 "[ . 1 .]" 1
481 1 32 LYS H 1 32 LYS QB 3.500 . 4.000 2.306 2.188 2.522 . 0 0 "[ . 1 .]" 1
482 1 32 LYS H 1 32 LYS HA 3.000 . 3.500 2.803 2.751 2.829 . 0 0 "[ . 1 .]" 1
483 1 32 LYS HA 1 33 ASN HA 4.500 . 5.500 4.774 4.681 4.884 . 0 0 "[ . 1 .]" 1
484 1 32 LYS QB 1 33 ASN H 3.500 . 4.000 2.937 2.686 3.735 . 0 0 "[ . 1 .]" 1
485 1 32 LYS HA 1 33 ASN H 3.500 . 4.000 3.487 3.392 3.554 . 0 0 "[ . 1 .]" 1
486 1 32 LYS HA 1 34 ILE H 4.500 . 5.500 4.594 4.154 4.883 . 0 0 "[ . 1 .]" 1
487 1 32 LYS H 1 34 ILE H 4.500 . 5.500 4.474 4.199 4.801 . 0 0 "[ . 1 .]" 1
488 1 32 LYS QE 1 35 LEU QD 5.000 . 6.000 4.599 2.475 5.839 . 0 0 "[ . 1 .]" 1
489 1 32 LYS HA 1 35 LEU QD 4.500 . 5.500 3.073 2.443 4.075 . 0 0 "[ . 1 .]" 1
490 1 32 LYS HA 1 35 LEU H 3.500 . 4.000 3.336 2.967 3.477 . 0 0 "[ . 1 .]" 1
491 1 32 LYS HA 1 35 LEU HB3 3.500 . 4.000 3.797 3.043 4.110 0.110 9 0 "[ . 1 .]" 1
492 1 32 LYS HA 1 35 LEU HB2 3.000 . 3.500 2.574 2.215 3.872 0.372 14 0 "[ . 1 .]" 1
493 1 32 LYS HA 1 36 ASN H 4.500 . 5.500 3.433 2.930 4.620 . 0 0 "[ . 1 .]" 1
494 1 32 LYS H 1 75 VAL MG2 4.000 . 4.500 4.284 3.853 4.576 0.076 2 0 "[ . 1 .]" 1
495 1 33 ASN H 1 33 ASN HB3 3.500 . 4.000 3.060 2.502 3.618 . 0 0 "[ . 1 .]" 1
496 1 33 ASN H 1 33 ASN HB2 3.000 . 3.500 2.408 2.216 2.609 . 0 0 "[ . 1 .]" 1
497 1 33 ASN H 1 33 ASN HA 3.000 . 3.500 2.839 2.794 2.876 . 0 0 "[ . 1 .]" 1
498 1 33 ASN HA 1 33 ASN HB2 2.500 . 3.000 2.744 2.469 3.019 0.019 11 0 "[ . 1 .]" 1
499 1 33 ASN HB3 1 34 ILE H 4.500 . 5.500 2.733 2.088 3.515 . 0 0 "[ . 1 .]" 1
500 1 33 ASN HB2 1 34 ILE H 4.000 . 4.500 3.159 2.425 3.833 . 0 0 "[ . 1 .]" 1
501 1 33 ASN HB3 1 34 ILE MD 4.000 . 4.500 3.112 2.545 3.789 . 0 0 "[ . 1 .]" 1
502 1 33 ASN HA 1 34 ILE H 3.500 . 4.000 3.558 3.534 3.591 . 0 0 "[ . 1 .]" 1
503 1 33 ASN H 1 34 ILE H 3.000 . 3.500 2.706 2.589 2.841 . 0 0 "[ . 1 .]" 1
504 1 33 ASN HA 1 36 ASN QB 3.500 . 4.000 3.873 2.990 4.121 0.121 14 0 "[ . 1 .]" 1
505 1 33 ASN HA 1 36 ASN H 3.500 . 4.000 3.909 3.387 4.088 0.088 13 0 "[ . 1 .]" 1
506 1 33 ASN HA 1 37 SER H 4.500 . 5.500 2.602 2.370 2.855 . 0 0 "[ . 1 .]" 1
507 1 34 ILE H 1 34 ILE MD 4.500 . 4.500 2.813 2.335 3.379 . 0 0 "[ . 1 .]" 1
508 1 34 ILE HA 1 34 ILE MD 3.500 . 4.000 1.673 1.545 1.892 0.255 13 0 "[ . 1 .]" 1
509 1 34 ILE HA 1 34 ILE QG 3.500 . 4.000 2.690 2.457 2.972 . 0 0 "[ . 1 .]" 1
510 1 34 ILE HA 1 34 ILE MG 3.500 . 4.000 2.772 2.483 3.082 . 0 0 "[ . 1 .]" 1
511 1 34 ILE H 1 34 ILE HB 3.500 . 4.000 2.182 2.062 2.460 . 0 0 "[ . 1 .]" 1
512 1 34 ILE H 1 34 ILE QG 3.500 . 4.000 3.204 2.167 3.994 . 0 0 "[ . 1 .]" 1
513 1 34 ILE H 1 34 ILE MG 3.500 . 4.000 3.516 2.997 3.742 . 0 0 "[ . 1 .]" 1
514 1 34 ILE H 1 34 ILE HA 3.000 . 3.500 2.811 2.761 2.890 . 0 0 "[ . 1 .]" 1
515 1 34 ILE HA 1 34 ILE HB 3.000 . 3.500 2.936 2.754 3.013 . 0 0 "[ . 1 .]" 1
516 1 34 ILE QG 1 34 ILE MG 2.500 . 3.000 2.129 2.077 2.195 . 0 0 "[ . 1 .]" 1
517 1 34 ILE MD 1 35 LEU H 4.500 . 5.500 4.366 4.158 4.525 . 0 0 "[ . 1 .]" 1
518 1 34 ILE HA 1 35 LEU H 3.500 . 4.000 3.421 3.309 3.521 . 0 0 "[ . 1 .]" 1
519 1 34 ILE HB 1 35 LEU H 3.500 . 4.000 3.328 2.802 3.856 . 0 0 "[ . 1 .]" 1
520 1 34 ILE MG 1 35 LEU H 3.000 . 3.500 3.278 2.818 3.622 0.122 8 0 "[ . 1 .]" 1
521 1 34 ILE H 1 35 LEU H 3.000 . 3.500 2.649 2.388 2.842 . 0 0 "[ . 1 .]" 1
522 1 34 ILE HA 1 36 ASN H 5.000 . 6.000 5.017 3.901 5.419 . 0 0 "[ . 1 .]" 1
523 1 34 ILE HA 1 37 SER H 5.000 . 6.000 4.711 4.324 5.247 . 0 0 "[ . 1 .]" 1
524 1 34 ILE MD 1 38 SER HA 4.000 . 4.500 4.352 3.901 4.515 0.015 6 0 "[ . 1 .]" 1
525 1 34 ILE MD 1 38 SER QB 4.000 . 4.500 3.906 2.877 4.300 . 0 0 "[ . 1 .]" 1
526 1 9 ASN HB2 1 35 LEU QD 5.000 . 6.000 5.341 4.918 5.785 . 0 0 "[ . 1 .]" 1
527 1 35 LEU HA 1 35 LEU QD . . 4.000 2.236 1.823 2.735 . 0 0 "[ . 1 .]" 1
528 1 35 LEU H 1 35 LEU QD 4.500 . 5.500 2.880 2.446 3.556 . 0 0 "[ . 1 .]" 1
529 1 35 LEU H 1 35 LEU HG 4.500 . 5.500 3.826 2.354 4.582 . 0 0 "[ . 1 .]" 1
530 1 35 LEU HA 1 35 LEU HG 3.500 . 4.000 2.654 2.244 3.427 . 0 0 "[ . 1 .]" 1
531 1 35 LEU H 1 35 LEU HB3 3.500 . 4.000 3.459 2.800 3.707 . 0 0 "[ . 1 .]" 1
532 1 35 LEU H 1 35 LEU HB2 3.500 . 4.000 2.303 2.117 2.545 . 0 0 "[ . 1 .]" 1
533 1 35 LEU HB2 1 35 LEU QD 3.000 . 3.500 2.153 2.095 2.376 . 0 0 "[ . 1 .]" 1
534 1 35 LEU H 1 35 LEU HA 3.000 . 3.500 2.907 2.874 2.948 . 0 0 "[ . 1 .]" 1
535 1 35 LEU HB3 1 36 ASN H 4.000 . 4.500 2.972 2.347 4.291 . 0 0 "[ . 1 .]" 1
536 1 35 LEU QD 1 36 ASN H 4.500 . 4.500 3.880 3.633 4.375 . 0 0 "[ . 1 .]" 1
537 1 35 LEU HG 1 36 ASN H 4.000 . 4.500 4.586 4.089 4.755 0.255 6 0 "[ . 1 .]" 1
538 1 35 LEU HB2 1 36 ASN H 4.000 . 4.500 2.700 2.217 3.884 . 0 0 "[ . 1 .]" 1
539 1 35 LEU H 1 36 ASN H 3.000 . 3.500 2.523 2.062 2.804 . 0 0 "[ . 1 .]" 1
540 1 35 LEU H 1 37 SER H 4.500 . 5.500 3.729 3.477 3.980 . 0 0 "[ . 1 .]" 1
541 1 35 LEU HA 1 38 SER QB 4.500 . 5.500 4.042 3.439 4.576 . 0 0 "[ . 1 .]" 1
542 1 35 LEU HA 1 38 SER H 4.000 . 4.500 4.544 4.313 4.667 0.167 14 0 "[ . 1 .]" 1
543 1 35 LEU HG 1 75 VAL MG2 4.000 . 4.500 4.345 3.705 4.589 0.089 8 0 "[ . 1 .]" 1
544 1 35 LEU HG 1 75 VAL MG1 4.000 . 4.500 4.367 3.432 4.619 0.119 2 0 "[ . 1 .]" 1
545 1 35 LEU HB3 1 77 ILE MD 5.000 . 6.000 5.025 3.641 6.025 0.025 11 0 "[ . 1 .]" 1
546 1 35 LEU HB2 1 77 ILE MD 4.500 . 5.500 5.237 4.544 5.726 0.226 6 0 "[ . 1 .]" 1
547 1 35 LEU HG 1 77 ILE MD 4.000 . 4.500 3.592 2.445 4.342 . 0 0 "[ . 1 .]" 1
548 1 35 LEU QD 1 77 ILE MD 3.500 . 4.000 2.129 1.707 2.438 0.093 1 0 "[ . 1 .]" 1
549 1 34 ILE H 1 36 ASN H 4.500 . 5.500 4.616 4.049 4.959 . 0 0 "[ . 1 .]" 1
550 1 36 ASN H 1 36 ASN QB 3.500 . 4.000 2.389 2.253 2.896 . 0 0 "[ . 1 .]" 1
551 1 36 ASN H 1 36 ASN HA 3.000 . 3.500 2.893 2.849 2.939 . 0 0 "[ . 1 .]" 1
552 1 36 ASN HA 1 37 SER H 4.500 . 5.500 3.540 3.481 3.560 . 0 0 "[ . 1 .]" 1
553 1 36 ASN QB 1 37 SER H 3.500 . 4.000 2.579 2.347 2.975 . 0 0 "[ . 1 .]" 1
554 1 36 ASN H 1 37 SER H 3.000 . 3.500 2.400 1.987 2.592 . 0 0 "[ . 1 .]" 1
555 1 36 ASN H 1 38 SER H 5.000 . 6.000 3.696 2.410 4.174 . 0 0 "[ . 1 .]" 1
556 1 36 ASN HA 1 38 SER H 4.500 . 5.500 3.997 3.802 4.285 . 0 0 "[ . 1 .]" 1
557 1 34 ILE HA 1 37 SER HB2 4.500 . 5.500 4.852 4.188 6.307 0.807 6 1 "[ .+ 1 .]" 1
558 1 37 SER H 1 37 SER HB2 4.000 . 4.500 2.531 2.442 2.713 . 0 0 "[ . 1 .]" 1
559 1 37 SER H 1 37 SER HB3 3.500 . 4.000 3.477 2.495 3.696 . 0 0 "[ . 1 .]" 1
560 1 37 SER H 1 37 SER HA 3.000 . 3.500 2.884 2.853 2.931 . 0 0 "[ . 1 .]" 1
561 1 37 SER HB3 1 38 SER H 4.500 . 5.500 4.187 3.257 4.475 . 0 0 "[ . 1 .]" 1
562 1 37 SER HB2 1 38 SER H 4.500 . 5.500 3.654 3.311 4.312 . 0 0 "[ . 1 .]" 1
563 1 37 SER H 1 38 SER H 4.000 . 4.500 2.556 2.406 2.808 . 0 0 "[ . 1 .]" 1
564 1 37 SER HA 1 38 SER H 3.500 . 4.000 3.318 3.151 3.437 . 0 0 "[ . 1 .]" 1
565 1 38 SER H 1 38 SER HA 3.000 . 3.500 2.822 2.780 2.868 . 0 0 "[ . 1 .]" 1
566 1 38 SER QB 1 39 ARG H 5.000 . 5.500 3.550 2.404 3.887 . 0 0 "[ . 1 .]" 1
567 1 38 SER HA 1 39 ARG H 3.500 . 4.000 2.335 2.031 3.537 . 0 0 "[ . 1 .]" 1
568 1 38 SER HA 1 40 THR H 4.500 . 5.500 4.434 3.998 4.944 . 0 0 "[ . 1 .]" 1
569 1 38 SER QB 1 40 THR H 4.500 . 5.500 4.502 3.654 5.322 . 0 0 "[ . 1 .]" 1
570 1 38 SER QB 1 43 ASP HB3 4.500 . 5.500 3.178 1.740 3.916 0.060 15 0 "[ . 1 .]" 1
571 1 38 SER H 1 39 ARG H 4.000 . 4.500 4.156 2.706 4.519 0.019 15 0 "[ . 1 .]" 1
572 1 39 ARG H 1 39 ARG QD 5.000 . 6.000 4.226 1.784 5.254 0.016 5 0 "[ . 1 .]" 1
573 1 39 ARG HA 1 39 ARG QD 4.500 . 5.500 3.494 1.774 4.263 0.026 8 0 "[ . 1 .]" 1
574 1 39 ARG HB3 1 39 ARG HE 4.500 . 5.500 3.752 1.795 4.721 0.005 4 0 "[ . 1 .]" 1
575 1 39 ARG HB2 1 39 ARG HE 4.500 . 5.500 3.222 1.848 4.634 . 0 0 "[ . 1 .]" 1
576 1 39 ARG H 1 39 ARG HG3 4.500 . 5.500 3.972 1.962 4.634 . 0 0 "[ . 1 .]" 1
577 1 39 ARG H 1 39 ARG HG2 4.500 . 5.500 4.210 2.055 4.856 . 0 0 "[ . 1 .]" 1
578 1 39 ARG HA 1 39 ARG HG2 4.000 . 4.500 3.176 2.731 3.721 . 0 0 "[ . 1 .]" 1
579 1 39 ARG H 1 39 ARG HB3 4.000 . 4.500 3.034 2.393 3.806 . 0 0 "[ . 1 .]" 1
580 1 39 ARG H 1 39 ARG HB2 4.000 . 4.500 2.593 2.207 3.334 . 0 0 "[ . 1 .]" 1
581 1 39 ARG HE 1 39 ARG HG2 4.000 . 4.500 3.028 2.460 3.798 . 0 0 "[ . 1 .]" 1
582 1 39 ARG HE 1 39 ARG HG3 3.500 . 4.000 2.834 2.324 3.652 . 0 0 "[ . 1 .]" 1
583 1 39 ARG HB3 1 39 ARG QD 3.500 . 4.000 2.789 2.347 3.503 . 0 0 "[ . 1 .]" 1
584 1 39 ARG QD 1 39 ARG HE 2.500 . 3.000 2.447 2.316 2.498 . 0 0 "[ . 1 .]" 1
585 1 39 ARG QD 1 39 ARG HG2 2.500 . 3.000 2.277 2.168 2.402 . 0 0 "[ . 1 .]" 1
586 1 39 ARG HG2 1 40 THR H 5.000 . 6.000 4.090 2.894 5.135 . 0 0 "[ . 1 .]" 1
587 1 39 ARG HG3 1 40 THR H 4.500 . 5.500 4.455 3.801 5.011 . 0 0 "[ . 1 .]" 1
588 1 39 ARG HA 1 40 THR H 4.000 . 4.500 3.545 3.476 3.594 . 0 0 "[ . 1 .]" 1
589 1 39 ARG HB2 1 40 THR H 4.000 . 4.500 3.284 1.837 4.020 . 0 0 "[ . 1 .]" 1
590 1 39 ARG HB3 1 40 THR H 3.000 . 3.500 2.620 2.105 3.710 0.210 2 0 "[ . 1 .]" 1
591 1 39 ARG HB3 1 40 THR MG 3.000 . 3.500 2.609 2.265 3.120 . 0 0 "[ . 1 .]" 1
592 1 39 ARG H 1 40 THR H 3.000 . 3.500 2.952 2.343 3.531 0.031 1 0 "[ . 1 .]" 1
593 1 39 ARG H 1 43 ASP HB3 4.000 . 4.500 3.006 2.386 4.223 . 0 0 "[ . 1 .]" 1
594 1 39 ARG H 1 43 ASP HB2 4.000 . 4.500 3.466 2.830 4.746 0.246 3 0 "[ . 1 .]" 1
595 1 39 ARG QD 1 40 THR MG 4.000 . 4.500 3.634 2.462 4.585 0.085 5 0 "[ . 1 .]" 1
596 1 39 ARG HG3 1 40 THR MG 4.000 . 4.500 3.963 2.436 5.101 0.601 3 2 "[ + . - .]" 1
597 1 39 ARG H 1 40 THR MG 4.500 . 5.500 4.585 3.899 4.977 . 0 0 "[ . 1 .]" 1
598 1 39 ARG HB2 1 40 THR MG 3.500 . 4.000 3.656 2.367 4.075 0.075 3 0 "[ . 1 .]" 1
599 1 40 THR HA 1 40 THR MG 3.500 . 4.000 2.597 2.342 3.218 . 0 0 "[ . 1 .]" 1
600 1 40 THR H 1 40 THR MG 3.500 . 4.000 2.548 1.854 3.023 . 0 0 "[ . 1 .]" 1
601 1 40 THR HB 1 41 THR HB 5.000 . 6.000 4.528 3.819 5.975 . 0 0 "[ . 1 .]" 1
602 1 40 THR HA 1 41 THR HA 4.500 . 5.500 4.360 4.322 4.429 . 0 0 "[ . 1 .]" 1
603 1 40 THR MG 1 41 THR H 4.000 . 4.500 3.524 2.785 3.873 . 0 0 "[ . 1 .]" 1
604 1 40 THR HA 1 41 THR H 3.000 . 3.500 2.559 2.340 2.744 . 0 0 "[ . 1 .]" 1
605 1 40 THR HB 1 41 THR H 3.000 . 3.500 2.500 1.912 3.622 0.122 3 0 "[ . 1 .]" 1
606 1 40 THR MG 1 42 ALA H 5.000 . 6.000 3.785 1.892 4.496 . 0 0 "[ . 1 .]" 1
607 1 40 THR HA 1 42 ALA H 4.500 . 5.500 4.425 4.057 4.779 . 0 0 "[ . 1 .]" 1
608 1 40 THR HB 1 42 ALA H 4.000 . 4.500 3.228 2.484 4.517 0.017 11 0 "[ . 1 .]" 1
609 1 40 THR HA 1 43 ASP H 5.000 . 6.000 4.353 4.207 4.477 . 0 0 "[ . 1 .]" 1
610 1 40 THR HA 1 43 ASP HB3 4.500 . 5.500 5.019 4.316 5.693 0.193 4 0 "[ . 1 .]" 1
611 1 40 THR MG 1 43 ASP HB3 4.500 . 5.500 4.394 3.056 5.341 . 0 0 "[ . 1 .]" 1
612 1 40 THR HB 1 43 ASP H 4.500 . 5.000 3.975 3.428 4.814 . 0 0 "[ . 1 .]" 1
613 1 40 THR MG 1 43 ASP H 4.000 . 4.500 3.704 1.836 4.515 0.015 5 0 "[ . 1 .]" 1
614 1 40 THR H 1 41 THR H 5.000 . 6.000 4.439 4.320 4.572 . 0 0 "[ . 1 .]" 1
615 1 41 THR H 1 41 THR MG 4.000 . 4.500 3.751 3.713 3.783 . 0 0 "[ . 1 .]" 1
616 1 41 THR HA 1 41 THR HB 3.000 . 3.500 3.014 3.001 3.020 . 0 0 "[ . 1 .]" 1
617 1 41 THR HA 1 41 THR MG 3.000 . 3.500 2.353 2.267 2.434 . 0 0 "[ . 1 .]" 1
618 1 41 THR H 1 41 THR HA 3.000 . 3.500 2.822 2.790 2.862 . 0 0 "[ . 1 .]" 1
619 1 41 THR H 1 41 THR HB 3.000 . 3.500 2.601 2.498 2.750 . 0 0 "[ . 1 .]" 1
620 1 41 THR HA 1 42 ALA H 4.500 . 5.500 3.525 3.452 3.572 . 0 0 "[ . 1 .]" 1
621 1 41 THR MG 1 42 ALA H 4.000 . 4.500 3.616 3.247 3.797 . 0 0 "[ . 1 .]" 1
622 1 41 THR HB 1 42 ALA H 3.500 . 4.000 2.583 2.346 2.967 . 0 0 "[ . 1 .]" 1
623 1 41 THR H 1 42 ALA H 3.000 . 3.500 2.606 2.467 2.824 . 0 0 "[ . 1 .]" 1
624 1 41 THR H 1 43 ASP H 4.500 . 5.500 3.792 3.674 3.905 . 0 0 "[ . 1 .]" 1
625 1 41 THR HA 1 43 ASP H 4.000 . 4.500 3.745 3.286 4.051 . 0 0 "[ . 1 .]" 1
626 1 41 THR HA 1 43 ASP HB2 4.500 . 5.500 5.370 4.674 6.145 0.645 5 1 "[ + 1 .]" 1
627 1 41 THR HB 1 43 ASP H 4.000 . 4.500 4.659 4.557 4.757 0.257 2 0 "[ . 1 .]" 1
628 1 41 THR HA 1 44 ARG QD 5.000 . 6.000 3.684 1.949 5.452 . 0 0 "[ . 1 .]" 1
629 1 41 THR MG 1 44 ARG H 4.000 . 4.500 4.369 4.035 4.554 0.054 12 0 "[ . 1 .]" 1
630 1 41 THR HA 1 44 ARG H 4.500 . 6.000 3.076 2.428 3.535 . 0 0 "[ . 1 .]" 1
631 1 41 THR HB 1 45 ARG H 5.000 . 6.000 5.352 4.751 6.021 0.021 8 0 "[ . 1 .]" 1
632 1 41 THR MG 1 45 ARG H 4.000 . 4.500 3.645 2.964 4.463 . 0 0 "[ . 1 .]" 1
633 1 41 THR MG 1 45 ARG QD 4.000 . 4.500 3.312 1.968 4.396 . 0 0 "[ . 1 .]" 1
634 1 41 THR MG 1 45 ARG QB 3.500 . 4.000 3.092 1.955 4.100 0.100 7 0 "[ . 1 .]" 1
635 1 41 THR MG 1 45 ARG QG 3.000 . 3.500 3.073 2.067 3.634 0.134 6 0 "[ . 1 .]" 1
636 1 40 THR H 1 42 ALA H 4.500 . 5.500 4.874 4.635 5.331 . 0 0 "[ . 1 .]" 1
637 1 41 THR H 1 42 ALA MB 4.000 . 4.500 4.282 4.156 4.469 . 0 0 "[ . 1 .]" 1
638 1 42 ALA H 1 42 ALA HA 2.500 . 3.000 2.823 2.797 2.848 . 0 0 "[ . 1 .]" 1
639 1 42 ALA HA 1 43 ASP H 4.000 . 4.500 3.421 3.361 3.478 . 0 0 "[ . 1 .]" 1
640 1 42 ALA MB 1 43 ASP H 3.500 . 4.000 2.932 2.768 3.077 . 0 0 "[ . 1 .]" 1
641 1 42 ALA H 1 43 ASP H 3.000 . 3.500 2.559 2.483 2.638 . 0 0 "[ . 1 .]" 1
642 1 42 ALA HA 1 44 ARG H 4.000 . 4.500 4.364 3.576 4.562 0.062 8 0 "[ . 1 .]" 1
643 1 42 ALA HA 1 46 ALA H 4.500 . 5.500 4.204 3.095 5.520 0.020 8 0 "[ . 1 .]" 1
644 1 38 SER HA 1 43 ASP H 5.000 . 6.000 6.179 6.015 6.314 0.314 10 0 "[ . 1 .]" 1
645 1 40 THR H 1 43 ASP H 4.500 . 5.500 3.316 3.042 3.763 . 0 0 "[ . 1 .]" 1
646 1 40 THR H 1 43 ASP HB3 4.000 . 4.500 2.567 1.800 3.360 0.000 9 0 "[ . 1 .]" 1
647 1 40 THR H 1 43 ASP HB2 4.000 . 4.500 2.109 1.701 2.776 0.099 14 0 "[ . 1 .]" 1
648 1 43 ASP H 1 43 ASP HB3 3.500 . 4.000 3.053 2.578 3.583 . 0 0 "[ . 1 .]" 1
649 1 43 ASP H 1 43 ASP HB2 3.500 . 4.000 2.396 2.178 2.766 . 0 0 "[ . 1 .]" 1
650 1 43 ASP HA 1 43 ASP HB2 3.000 . 3.500 2.773 2.531 3.021 . 0 0 "[ . 1 .]" 1
651 1 43 ASP H 1 43 ASP HA 3.000 . 3.500 2.905 2.865 2.956 . 0 0 "[ . 1 .]" 1
652 1 43 ASP HA 1 43 ASP HB3 3.000 . 3.500 2.847 2.554 3.029 . 0 0 "[ . 1 .]" 1
653 1 43 ASP HA 1 44 ARG H 4.500 . 5.500 3.471 3.133 3.567 . 0 0 "[ . 1 .]" 1
654 1 43 ASP HB2 1 44 ARG H 4.000 . 4.500 3.319 2.551 4.309 . 0 0 "[ . 1 .]" 1
655 1 43 ASP HB3 1 44 ARG H 4.000 . 4.500 3.034 2.421 4.049 . 0 0 "[ . 1 .]" 1
656 1 43 ASP HA 1 45 ARG H 4.500 . 5.000 4.573 3.737 5.030 0.030 1 0 "[ . 1 .]" 1
657 1 43 ASP HB3 1 46 ALA MB 5.000 . 6.000 5.355 4.581 6.046 0.046 1 0 "[ . 1 .]" 1
658 1 43 ASP HA 1 46 ALA H 4.000 . 4.500 4.026 3.331 4.663 0.163 8 0 "[ . 1 .]" 1
659 1 43 ASP HA 1 46 ALA MB 3.500 . 4.000 3.107 2.334 3.912 . 0 0 "[ . 1 .]" 1
660 1 43 ASP HA 1 47 VAL QG 5.000 . 6.000 4.351 3.665 4.767 . 0 0 "[ . 1 .]" 1
661 1 43 ASP HA 1 47 VAL H 4.000 . 4.500 4.015 3.579 4.509 0.009 5 0 "[ . 1 .]" 1
662 1 43 ASP H 1 44 ARG H 3.000 . 3.500 2.279 1.998 2.509 . 0 0 "[ . 1 .]" 1
663 1 44 ARG H 1 44 ARG QD 4.500 . 5.500 4.206 3.590 4.800 . 0 0 "[ . 1 .]" 1
664 1 44 ARG HA 1 44 ARG QD 4.500 . 5.500 3.779 1.964 4.236 . 0 0 "[ . 1 .]" 1
665 1 44 ARG H 1 44 ARG QG 4.000 . 4.500 3.285 2.086 4.120 . 0 0 "[ . 1 .]" 1
666 1 44 ARG HA 1 44 ARG QG 3.500 . 4.000 2.459 2.277 2.902 . 0 0 "[ . 1 .]" 1
667 1 44 ARG H 1 44 ARG HB3 3.500 . 4.000 3.065 2.496 3.686 . 0 0 "[ . 1 .]" 1
668 1 44 ARG HB2 1 44 ARG QD 3.500 . 4.000 2.456 2.263 2.791 . 0 0 "[ . 1 .]" 1
669 1 44 ARG HB2 1 45 ARG H 3.500 . 4.000 3.390 2.383 4.035 0.035 13 0 "[ . 1 .]" 1
670 1 44 ARG HA 1 45 ARG H 3.000 . 3.500 3.490 3.054 3.585 0.085 11 0 "[ . 1 .]" 1
671 1 44 ARG HA 1 46 ALA H 4.500 . 5.500 4.273 3.547 4.845 . 0 0 "[ . 1 .]" 1
672 1 44 ARG H 1 46 ALA H 4.500 . 5.500 3.988 2.712 4.701 . 0 0 "[ . 1 .]" 1
673 1 44 ARG QG 1 47 VAL QG 4.500 . 5.500 3.223 2.392 3.707 . 0 0 "[ . 1 .]" 1
674 1 44 ARG HA 1 47 VAL H 3.500 . 4.000 3.561 3.106 3.911 . 0 0 "[ . 1 .]" 1
675 1 44 ARG HA 1 47 VAL QG 3.000 . 3.500 1.933 1.700 2.190 0.100 6 0 "[ . 1 .]" 1
676 1 44 ARG HA 1 47 VAL HB 4.000 . 4.500 3.652 2.896 4.234 . 0 0 "[ . 1 .]" 1
677 1 44 ARG HA 1 48 CYS H 4.500 . 5.500 4.228 3.757 4.773 . 0 0 "[ . 1 .]" 1
678 1 44 ARG HB3 1 90 ILE QG 4.500 . 5.500 4.142 2.926 5.242 . 0 0 "[ . 1 .]" 1
679 1 44 ARG H 1 45 ARG H 4.500 . 5.500 2.538 2.044 2.898 . 0 0 "[ . 1 .]" 1
680 1 45 ARG HA 1 45 ARG HE 4.500 . 5.500 4.769 3.860 5.351 . 0 0 "[ . 1 .]" 1
681 1 45 ARG H 1 45 ARG QG 4.500 . 5.500 3.091 2.191 4.237 . 0 0 "[ . 1 .]" 1
682 1 45 ARG H 1 45 ARG QD 4.000 . 4.500 4.234 3.465 4.627 0.127 8 0 "[ . 1 .]" 1
683 1 45 ARG HE 1 45 ARG QG 3.500 . 4.000 2.463 2.206 2.773 . 0 0 "[ . 1 .]" 1
684 1 45 ARG QB 1 45 ARG QD 3.000 . 3.500 2.262 2.086 2.725 . 0 0 "[ . 1 .]" 1
685 1 45 ARG H 1 45 ARG QB 2.500 . 3.000 2.404 2.143 2.739 . 0 0 "[ . 1 .]" 1
686 1 45 ARG QD 1 45 ARG HE 2.500 . 3.000 2.414 2.234 2.491 . 0 0 "[ . 1 .]" 1
687 1 45 ARG HA 1 46 ALA H 4.500 . 5.500 3.341 2.545 3.560 . 0 0 "[ . 1 .]" 1
688 1 45 ARG QB 1 46 ALA H 4.000 . 4.500 2.939 2.066 3.970 . 0 0 "[ . 1 .]" 1
689 1 45 ARG QG 1 46 ALA H 3.500 . 4.000 3.867 2.367 4.287 0.287 4 0 "[ . 1 .]" 1
690 1 45 ARG H 1 46 ALA H 3.000 . 3.500 2.551 2.139 2.919 . 0 0 "[ . 1 .]" 1
691 1 45 ARG HA 1 47 VAL H 4.500 . 5.500 4.390 3.977 4.757 . 0 0 "[ . 1 .]" 1
692 1 45 ARG H 1 47 VAL H 4.500 . 5.500 3.950 3.336 4.435 . 0 0 "[ . 1 .]" 1
693 1 45 ARG HA 1 48 CYS HB2 4.500 . 5.500 4.448 3.409 5.230 . 0 0 "[ . 1 .]" 1
694 1 45 ARG HA 1 48 CYS HB3 4.000 . 4.500 3.803 2.981 4.601 0.101 8 0 "[ . 1 .]" 1
695 1 45 ARG HA 1 48 CYS H 3.500 . 4.000 3.765 3.448 4.119 0.119 8 0 "[ . 1 .]" 1
696 1 45 ARG HA 1 49 SER H 4.000 . 4.500 4.499 4.080 4.770 0.270 8 0 "[ . 1 .]" 1
697 1 46 ALA H 1 46 ALA HA 3.000 . 3.500 2.872 2.812 2.945 . 0 0 "[ . 1 .]" 1
698 1 46 ALA H 1 47 VAL HA 5.000 . 6.000 4.965 4.299 5.278 . 0 0 "[ . 1 .]" 1
699 1 46 ALA H 1 47 VAL HB 4.500 . 5.500 4.680 4.130 5.103 . 0 0 "[ . 1 .]" 1
700 1 46 ALA MB 1 47 VAL H 3.500 . 4.000 2.651 2.442 2.926 . 0 0 "[ . 1 .]" 1
701 1 46 ALA HA 1 47 VAL H 3.500 . 4.000 3.521 3.451 3.580 . 0 0 "[ . 1 .]" 1
702 1 46 ALA MB 1 47 VAL HA 4.500 . 5.000 3.832 3.757 3.940 . 0 0 "[ . 1 .]" 1
703 1 46 ALA MB 1 47 VAL QG 4.000 . 4.500 3.962 3.606 4.198 . 0 0 "[ . 1 .]" 1
704 1 46 ALA HA 1 48 CYS H 4.500 . 5.500 4.249 3.850 4.514 . 0 0 "[ . 1 .]" 1
705 1 46 ALA MB 1 49 SER H 4.500 . 5.000 4.557 4.363 4.832 . 0 0 "[ . 1 .]" 1
706 1 46 ALA HA 1 49 SER QB 3.500 . 4.000 2.720 2.225 3.336 . 0 0 "[ . 1 .]" 1
707 1 46 ALA HA 1 49 SER H 3.500 . 4.000 3.374 2.947 3.741 . 0 0 "[ . 1 .]" 1
708 1 6 VAL QG 1 47 VAL HA . . 3.500 2.400 1.768 3.340 0.032 15 0 "[ . 1 .]" 1
709 1 46 ALA HA 1 47 VAL QG 4.500 . 5.500 4.835 4.713 4.975 . 0 0 "[ . 1 .]" 1
710 1 46 ALA H 1 47 VAL QG 4.000 . 4.500 3.650 2.715 4.253 . 0 0 "[ . 1 .]" 1
711 1 46 ALA H 1 47 VAL H 3.000 . 3.500 2.346 1.690 2.671 0.110 8 0 "[ . 1 .]" 1
712 1 47 VAL H 1 47 VAL QG . . 4.000 2.209 1.836 2.534 . 0 0 "[ . 1 .]" 1
713 1 47 VAL H 1 47 VAL HB 3.500 . 4.000 2.522 2.356 2.876 . 0 0 "[ . 1 .]" 1
714 1 47 VAL H 1 47 VAL HA 3.000 . 3.500 2.820 2.790 2.891 . 0 0 "[ . 1 .]" 1
715 1 47 VAL HA 1 48 CYS H 4.500 . 5.500 3.521 3.470 3.574 . 0 0 "[ . 1 .]" 1
716 1 47 VAL QG 1 48 CYS H 4.500 . 4.500 2.207 2.085 2.379 . 0 0 "[ . 1 .]" 1
717 1 47 VAL HB 1 48 CYS H 3.500 . 4.000 3.947 3.761 4.118 0.118 10 0 "[ . 1 .]" 1
718 1 47 VAL H 1 48 CYS H 3.000 . 3.500 2.646 2.437 2.777 . 0 0 "[ . 1 .]" 1
719 1 47 VAL HA 1 49 SER H 4.500 . 5.500 4.401 4.005 4.688 . 0 0 "[ . 1 .]" 1
720 1 47 VAL H 1 49 SER H 4.500 . 5.500 4.132 3.930 4.459 . 0 0 "[ . 1 .]" 1
721 1 47 VAL HA 1 50 CYS HB2 3.500 . 4.000 3.891 3.042 4.095 0.095 14 0 "[ . 1 .]" 1
722 1 47 VAL HA 1 50 CYS HB3 3.500 . 4.000 3.076 2.677 4.075 0.075 5 0 "[ . 1 .]" 1
723 1 47 VAL HA 1 50 CYS H 3.500 . 4.000 3.431 3.092 3.680 . 0 0 "[ . 1 .]" 1
724 1 47 VAL HA 1 51 LEU H 4.500 . 5.500 3.912 3.615 4.384 . 0 0 "[ . 1 .]" 1
725 1 47 VAL QG 1 79 TYR QD 5.000 . 6.000 5.464 4.757 5.791 . 0 0 "[ . 1 .]" 1
726 1 47 VAL QG 1 79 TYR QE 4.500 . 5.000 4.249 3.339 4.778 . 0 0 "[ . 1 .]" 1
727 1 47 VAL QG 1 48 CYS HA 3.500 . 4.000 3.063 2.957 3.167 . 0 0 "[ . 1 .]" 1
728 1 48 CYS H 1 48 CYS HB2 4.000 . 4.500 2.978 2.427 3.638 . 0 0 "[ . 1 .]" 1
729 1 48 CYS H 1 48 CYS HA 3.000 . 3.500 2.842 2.795 2.886 . 0 0 "[ . 1 .]" 1
730 1 48 CYS HA 1 48 CYS HB3 3.000 . 3.500 2.758 2.326 3.033 . 0 0 "[ . 1 .]" 1
731 1 48 CYS H 1 48 CYS HB3 3.000 . 3.500 2.614 2.370 2.854 . 0 0 "[ . 1 .]" 1
732 1 48 CYS HA 1 49 SER H 4.500 . 5.500 3.528 3.479 3.561 . 0 0 "[ . 1 .]" 1
733 1 48 CYS HB3 1 49 SER H 3.500 . 4.000 3.196 2.513 4.079 0.079 5 0 "[ . 1 .]" 1
734 1 48 CYS HA 1 50 CYS H 5.000 . 6.000 4.260 3.603 4.668 . 0 0 "[ . 1 .]" 1
735 1 48 CYS HA 1 51 LEU QB 4.500 . 5.500 2.250 1.853 3.630 . 0 0 "[ . 1 .]" 1
736 1 48 CYS HA 1 51 LEU H 4.000 . 4.500 3.223 2.973 3.630 . 0 0 "[ . 1 .]" 1
737 1 48 CYS HA 1 52 LYS H 4.500 . 5.500 4.113 3.832 4.853 . 0 0 "[ . 1 .]" 1
738 1 48 CYS H 1 87 CYS HB2 5.000 . 6.000 5.111 4.254 6.262 0.262 8 0 "[ . 1 .]" 1
739 1 48 CYS HB2 1 87 CYS HB2 5.000 . 6.000 3.694 1.937 5.352 . 0 0 "[ . 1 .]" 1
740 1 48 CYS HB3 1 87 CYS HB3 4.500 . 5.500 3.134 1.648 5.286 0.152 7 0 "[ . 1 .]" 1
741 1 48 CYS HB2 1 87 CYS HB3 4.500 . 5.500 3.481 3.195 3.814 . 0 0 "[ . 1 .]" 1
742 1 48 CYS HB3 1 87 CYS HB2 4.000 . 4.500 3.368 2.477 3.829 . 0 0 "[ . 1 .]" 1
743 1 48 CYS H 1 90 ILE MD 4.000 . 4.500 3.765 3.294 4.100 . 0 0 "[ . 1 .]" 1
744 1 48 CYS HB3 1 90 ILE MG 3.500 . 4.000 3.592 2.025 4.353 0.353 1 0 "[ . 1 .]" 1
745 1 48 CYS HB3 1 90 ILE MD 3.500 . 4.000 2.740 1.983 4.005 0.005 8 0 "[ . 1 .]" 1
746 1 48 CYS HB2 1 90 ILE MD 3.000 . 3.500 3.008 2.193 3.566 0.066 4 0 "[ . 1 .]" 1
747 1 48 CYS H 1 49 SER H 3.000 . 3.500 2.560 2.409 2.773 . 0 0 "[ . 1 .]" 1
748 1 49 SER H 1 49 SER HA 3.000 . 3.500 2.806 2.751 2.845 . 0 0 "[ . 1 .]" 1
749 1 49 SER HA 1 50 CYS H 3.500 . 4.000 3.528 3.378 3.588 . 0 0 "[ . 1 .]" 1
750 1 49 SER HA 1 52 LYS QB 3.500 . 4.000 3.692 2.848 4.076 0.076 2 0 "[ . 1 .]" 1
751 1 49 SER HA 1 52 LYS H 4.000 . 4.500 3.765 3.547 4.143 . 0 0 "[ . 1 .]" 1
752 1 49 SER HA 1 53 ALA H 4.500 . 5.500 5.093 4.015 5.555 0.055 10 0 "[ . 1 .]" 1
753 1 49 SER H 1 87 CYS HA 4.500 . 5.500 5.388 5.069 5.567 0.067 6 0 "[ . 1 .]" 1
754 1 49 SER H 1 87 CYS HB3 4.500 2.300 5.000 3.799 2.829 4.763 . 0 0 "[ . 1 .]" 1
755 1 49 SER H 1 87 CYS HB2 3.500 . 4.000 3.739 2.611 4.725 0.725 8 1 "[ . + 1 .]" 1
756 1 6 VAL QG 1 50 CYS HB3 4.000 . 4.500 1.816 1.713 2.138 0.087 15 0 "[ . 1 .]" 1
757 1 6 VAL QG 1 50 CYS HB2 4.000 . 4.500 3.082 2.655 3.395 . 0 0 "[ . 1 .]" 1
758 1 50 CYS H 1 50 CYS HB2 4.000 . 4.500 2.647 2.184 3.013 . 0 0 "[ . 1 .]" 1
759 1 50 CYS H 1 50 CYS HB3 3.500 . 4.000 2.590 2.339 3.264 . 0 0 "[ . 1 .]" 1
760 1 50 CYS H 1 50 CYS HA 3.000 . 3.500 2.883 2.812 2.942 . 0 0 "[ . 1 .]" 1
761 1 50 CYS HA 1 51 LEU H 3.500 . 4.000 3.511 3.414 3.581 . 0 0 "[ . 1 .]" 1
762 1 50 CYS HB3 1 51 LEU H 3.500 . 4.000 2.831 2.590 3.214 . 0 0 "[ . 1 .]" 1
763 1 50 CYS HB2 1 51 LEU H 3.500 . 4.000 3.907 3.378 4.035 0.035 9 0 "[ . 1 .]" 1
764 1 50 CYS HA 1 52 LYS H 4.500 . 5.500 4.097 3.682 4.620 . 0 0 "[ . 1 .]" 1
765 1 50 CYS HA 1 52 LYS QG 4.500 . 5.500 4.753 3.712 5.602 0.102 8 0 "[ . 1 .]" 1
766 1 50 CYS HA 1 53 ALA MB 3.500 . 4.000 2.970 2.175 3.824 . 0 0 "[ . 1 .]" 1
767 1 50 CYS HA 1 53 ALA H 3.500 . 4.000 3.280 2.927 3.583 . 0 0 "[ . 1 .]" 1
768 1 50 CYS HA 1 54 ALA H 4.500 . 5.500 4.245 3.937 4.522 . 0 0 "[ . 1 .]" 1
769 1 6 VAL QG 1 51 LEU HA 3.500 . 4.000 2.283 1.777 2.729 0.023 8 0 "[ . 1 .]" 1
770 1 34 ILE MG 1 51 LEU H 4.500 . 5.500 5.518 5.166 5.705 0.205 11 0 "[ . 1 .]" 1
771 1 49 SER H 1 51 LEU H 4.500 . 5.500 4.000 3.755 4.225 . 0 0 "[ . 1 .]" 1
772 1 50 CYS H 1 51 LEU H 3.000 . 3.500 2.394 2.037 2.716 . 0 0 "[ . 1 .]" 1
773 1 51 LEU H 1 51 LEU QD 4.500 . 5.500 3.573 3.112 3.739 . 0 0 "[ . 1 .]" 1
774 1 51 LEU H 1 51 LEU HG 4.000 . 4.500 4.186 2.320 4.535 0.035 8 0 "[ . 1 .]" 1
775 1 51 LEU HA 1 51 LEU QD 3.500 . 4.000 2.317 1.927 3.390 . 0 0 "[ . 1 .]" 1
776 1 51 LEU HA 1 51 LEU HG 3.500 . 4.000 3.118 2.470 3.756 . 0 0 "[ . 1 .]" 1
777 1 51 LEU H 1 51 LEU HA 3.000 . 3.500 2.767 2.715 2.810 . 0 0 "[ . 1 .]" 1
778 1 51 LEU QD 1 52 LYS H 4.500 . 5.500 3.657 2.554 4.268 . 0 0 "[ . 1 .]" 1
779 1 51 LEU H 1 52 LYS QB 4.500 . 5.500 4.781 4.221 5.152 . 0 0 "[ . 1 .]" 1
780 1 51 LEU QB 1 52 LYS H 3.500 . 4.000 2.622 2.251 3.627 . 0 0 "[ . 1 .]" 1
781 1 51 LEU HA 1 52 LYS H 3.500 . 4.000 3.524 3.474 3.571 . 0 0 "[ . 1 .]" 1
782 1 51 LEU H 1 52 LYS H 3.000 . 3.500 2.768 2.611 2.887 . 0 0 "[ . 1 .]" 1
783 1 51 LEU HA 1 53 ALA H 4.500 . 5.500 4.209 3.705 4.518 . 0 0 "[ . 1 .]" 1
784 1 51 LEU H 1 53 ALA H 4.500 . 5.500 4.205 3.872 4.637 . 0 0 "[ . 1 .]" 1
785 1 51 LEU HA 1 54 ALA H 3.500 . 4.000 3.333 2.971 3.740 . 0 0 "[ . 1 .]" 1
786 1 51 LEU HA 1 54 ALA MB 3.500 . 4.000 2.463 1.999 3.105 . 0 0 "[ . 1 .]" 1
787 1 51 LEU HA 1 55 ALA H 4.500 . 5.500 3.956 2.874 5.231 . 0 0 "[ . 1 .]" 1
788 1 51 LEU QD 1 79 TYR QD 4.500 . 5.500 3.713 3.095 5.145 . 0 0 "[ . 1 .]" 1
789 1 51 LEU QD 1 79 TYR QE 4.500 . 5.000 3.117 2.073 4.853 . 0 0 "[ . 1 .]" 1
790 1 51 LEU QD 1 85 THR MG 5.000 . 6.000 4.075 3.389 5.057 . 0 0 "[ . 1 .]" 1
791 1 52 LYS HA 1 52 LYS QE 5.000 . 6.000 4.638 3.815 5.692 . 0 0 "[ . 1 .]" 1
792 1 52 LYS HA 1 52 LYS QD 4.500 . 5.500 3.959 1.879 4.496 . 0 0 "[ . 1 .]" 1
793 1 52 LYS QB 1 52 LYS QZ 4.500 . 5.500 3.229 2.110 3.921 . 0 0 "[ . 1 .]" 1
794 1 52 LYS H 1 52 LYS QD 4.500 . 5.500 4.020 3.316 4.723 . 0 0 "[ . 1 .]" 1
795 1 52 LYS QB 1 52 LYS QE 4.000 . 4.500 2.737 1.809 3.833 . 0 0 "[ . 1 .]" 1
796 1 52 LYS H 1 52 LYS QE 4.000 . 4.500 4.271 3.590 4.565 0.065 1 0 "[ . 1 .]" 1
797 1 52 LYS H 1 52 LYS QG 4.000 . 4.500 2.636 2.003 3.945 . 0 0 "[ . 1 .]" 1
798 1 52 LYS H 1 52 LYS QB 3.500 . 4.000 2.421 2.185 2.635 . 0 0 "[ . 1 .]" 1
799 1 52 LYS H 1 52 LYS HA 3.000 . 3.500 2.808 2.750 2.871 . 0 0 "[ . 1 .]" 1
800 1 52 LYS HA 1 52 LYS QB 2.500 . 3.000 2.258 2.169 2.371 . 0 0 "[ . 1 .]" 1
801 1 52 LYS QE 1 52 LYS QG 2.500 . 3.000 2.453 2.118 2.870 . 0 0 "[ . 1 .]" 1
802 1 52 LYS QD 1 53 ALA H 4.500 . 5.500 4.668 4.041 5.348 . 0 0 "[ . 1 .]" 1
803 1 52 LYS QG 1 53 ALA H 4.500 . 5.500 3.145 2.020 4.261 . 0 0 "[ . 1 .]" 1
804 1 52 LYS QB 1 53 ALA H 3.500 . 4.000 3.096 2.292 3.834 . 0 0 "[ . 1 .]" 1
805 1 52 LYS HA 1 53 ALA H 3.500 . 4.000 3.506 3.333 3.594 . 0 0 "[ . 1 .]" 1
806 1 52 LYS H 1 53 ALA H 3.000 . 3.500 2.699 2.496 2.902 . 0 0 "[ . 1 .]" 1
807 1 52 LYS HA 1 54 ALA H 4.500 . 5.500 4.374 4.035 4.710 . 0 0 "[ . 1 .]" 1
808 1 52 LYS H 1 54 ALA H 4.500 . 5.500 4.033 3.763 4.181 . 0 0 "[ . 1 .]" 1
809 1 52 LYS HA 1 55 ALA MB 4.500 . 5.500 3.157 2.423 3.972 . 0 0 "[ . 1 .]" 1
810 1 52 LYS HA 1 55 ALA H 3.500 . 4.000 3.731 3.145 4.097 0.097 10 0 "[ . 1 .]" 1
811 1 52 LYS HA 1 56 GLY H 4.500 . 5.500 4.465 3.716 5.286 . 0 0 "[ . 1 .]" 1
812 1 3 CYS HB2 1 53 ALA MB 5.000 . 6.000 5.965 5.344 6.086 0.086 1 0 "[ . 1 .]" 1
813 1 52 LYS H 1 53 ALA MB 5.000 . 6.000 4.459 4.280 4.708 . 0 0 "[ . 1 .]" 1
814 1 53 ALA H 1 53 ALA HA 3.000 . 3.500 2.885 2.827 2.946 . 0 0 "[ . 1 .]" 1
815 1 53 ALA MB 1 54 ALA H 3.500 . 4.000 2.713 2.482 2.972 . 0 0 "[ . 1 .]" 1
816 1 53 ALA HA 1 54 ALA H 3.500 . 4.000 3.492 3.408 3.530 . 0 0 "[ . 1 .]" 1
817 1 53 ALA HA 1 55 ALA H 4.500 . 5.500 4.357 3.422 4.718 . 0 0 "[ . 1 .]" 1
818 1 53 ALA HA 1 56 GLY H 3.500 . 4.000 3.264 2.922 3.506 . 0 0 "[ . 1 .]" 1
819 1 53 ALA H 1 54 ALA H 3.000 . 3.500 2.367 2.035 2.607 . 0 0 "[ . 1 .]" 1
820 1 54 ALA H 1 54 ALA HA 2.500 . 3.000 2.832 2.782 2.894 . 0 0 "[ . 1 .]" 1
821 1 54 ALA HA 1 55 ALA H 3.500 . 4.000 3.518 3.197 3.569 . 0 0 "[ . 1 .]" 1
822 1 54 ALA HA 1 56 GLY H 4.500 . 5.500 3.964 3.586 4.568 . 0 0 "[ . 1 .]" 1
823 1 54 ALA HA 1 57 ALA MB 3.500 . 4.000 2.659 1.778 4.070 0.070 14 0 "[ . 1 .]" 1
824 1 54 ALA HA 1 58 VAL H 4.500 . 5.500 4.943 3.138 5.562 0.062 1 0 "[ . 1 .]" 1
825 1 55 ALA H 1 55 ALA HA 3.000 . 3.500 2.868 2.796 2.947 . 0 0 "[ . 1 .]" 1
826 1 55 ALA MB 1 56 GLY H 3.500 . 4.000 2.979 2.669 3.447 . 0 0 "[ . 1 .]" 1
827 1 55 ALA H 1 56 GLY H 3.000 . 3.500 2.453 1.952 2.661 . 0 0 "[ . 1 .]" 1
828 1 55 ALA MB 1 58 VAL H 5.000 . 6.000 5.149 4.837 5.652 . 0 0 "[ . 1 .]" 1
829 1 55 ALA HA 1 58 VAL H 4.500 . 5.500 4.254 3.811 5.064 . 0 0 "[ . 1 .]" 1
830 1 56 GLY H 1 56 GLY HA3 3.000 . 3.500 2.392 2.311 2.472 . 0 0 "[ . 1 .]" 1
831 1 56 GLY H 1 56 GLY HA2 3.000 . 3.500 2.936 2.880 2.958 . 0 0 "[ . 1 .]" 1
832 1 56 GLY HA2 1 57 ALA H 3.500 . 4.000 3.317 3.063 3.461 . 0 0 "[ . 1 .]" 1
833 1 56 GLY HA3 1 83 THR MG 3.500 . 4.000 3.499 2.842 4.317 0.317 11 0 "[ . 1 .]" 1
834 1 56 GLY HA2 1 83 THR MG 4.000 . 4.500 4.004 3.040 4.552 0.052 13 0 "[ . 1 .]" 1
835 1 53 ALA MB 1 57 ALA HA 4.500 . 5.000 5.187 5.014 5.363 0.363 7 0 "[ . 1 .]" 1
836 1 57 ALA H 1 57 ALA HA 3.000 . 3.500 2.896 2.839 2.950 . 0 0 "[ . 1 .]" 1
837 1 57 ALA HA 1 58 VAL H 4.500 . 5.500 3.300 3.014 3.549 . 0 0 "[ . 1 .]" 1
838 1 14 ILE HG12 1 58 VAL MG1 3.500 . 4.000 3.898 2.849 4.185 0.185 3 0 "[ . 1 .]" 1
839 1 17 LEU HG 1 58 VAL MG1 4.000 . 4.500 3.635 2.216 4.684 0.184 6 0 "[ . 1 .]" 1
840 1 18 GLN HG3 1 58 VAL MG1 5.000 . 6.000 5.295 3.122 6.082 0.082 10 0 "[ . 1 .]" 1
841 1 58 VAL H 1 58 VAL MG2 4.000 . 4.500 2.180 1.863 3.763 . 0 0 "[ . 1 .]" 1
842 1 58 VAL HA 1 58 VAL MG1 3.500 . 4.000 2.353 2.211 3.200 . 0 0 "[ . 1 .]" 1
843 1 58 VAL HA 1 58 VAL MG2 3.500 . 4.000 2.955 2.402 3.217 . 0 0 "[ . 1 .]" 1
844 1 58 VAL H 1 58 VAL HB 3.500 . 4.000 3.297 2.503 3.942 . 0 0 "[ . 1 .]" 1
845 1 58 VAL H 1 58 VAL MG1 3.500 . 4.000 2.637 1.807 3.864 . 0 0 "[ . 1 .]" 1
846 1 58 VAL H 1 58 VAL HA 3.000 . 3.500 2.801 2.293 2.942 . 0 0 "[ . 1 .]" 1
847 1 58 VAL HB 1 59 ARG H 4.500 . 5.500 3.705 2.070 4.414 . 0 0 "[ . 1 .]" 1
848 1 58 VAL MG1 1 59 ARG H 4.500 . 5.500 3.876 3.036 4.356 . 0 0 "[ . 1 .]" 1
849 1 58 VAL MG2 1 59 ARG H 4.000 . 4.500 3.978 2.723 4.288 . 0 0 "[ . 1 .]" 1
850 1 58 VAL HA 1 59 ARG H 2.500 . 3.000 2.360 2.117 3.346 0.346 5 0 "[ . 1 .]" 1
851 1 58 VAL MG1 1 61 ILE H 4.000 . 4.500 3.967 2.056 4.608 0.108 1 0 "[ . 1 .]" 1
852 1 58 VAL HB 1 61 ILE H 4.500 . 5.000 3.261 2.635 5.080 0.080 12 0 "[ . 1 .]" 1
853 1 58 VAL MG1 1 62 ASN H 4.500 . 5.500 4.240 2.551 5.033 . 0 0 "[ . 1 .]" 1
854 1 58 VAL HA 1 62 ASN H 5.000 . 6.000 6.247 5.344 8.116 2.116 12 1 "[ . 1 + .]" 1
855 1 58 VAL H 1 59 ARG H 4.500 . 5.500 4.035 2.471 4.561 . 0 0 "[ . 1 .]" 1
856 1 59 ARG HA 1 59 ARG HE 4.500 . 5.500 3.937 2.357 4.924 . 0 0 "[ . 1 .]" 1
857 1 59 ARG HA 1 59 ARG QD 4.500 . 5.500 3.388 2.048 4.566 . 0 0 "[ . 1 .]" 1
858 1 59 ARG H 1 59 ARG QD 4.000 . 4.500 4.064 2.290 4.688 0.188 11 0 "[ . 1 .]" 1
859 1 59 ARG HB3 1 59 ARG HE 4.000 . 4.500 3.092 1.771 4.153 0.029 4 0 "[ . 1 .]" 1
860 1 59 ARG H 1 59 ARG QG 4.000 . 4.500 3.274 1.912 4.118 . 0 0 "[ . 1 .]" 1
861 1 59 ARG HB3 1 59 ARG QD 3.500 . 4.000 2.916 2.265 3.532 . 0 0 "[ . 1 .]" 1
862 1 59 ARG H 1 59 ARG HB3 3.500 . 4.000 3.122 2.488 4.100 0.100 14 0 "[ . 1 .]" 1
863 1 59 ARG HB2 1 59 ARG HE 3.500 . 4.000 2.850 2.017 4.017 0.017 15 0 "[ . 1 .]" 1
864 1 59 ARG H 1 59 ARG HB2 3.500 . 4.000 3.028 2.085 3.891 . 0 0 "[ . 1 .]" 1
865 1 59 ARG HA 1 59 ARG HB2 2.500 . 3.000 2.681 2.397 3.029 0.029 2 0 "[ . 1 .]" 1
866 1 59 ARG HB2 1 60 GLY H 4.500 . 5.500 4.113 2.221 4.591 . 0 0 "[ . 1 .]" 1
867 1 59 ARG QG 1 60 GLY H 4.500 . 5.500 3.853 2.677 4.790 . 0 0 "[ . 1 .]" 1
868 1 59 ARG HB3 1 60 GLY H 4.000 . 4.500 3.999 2.825 4.502 0.002 7 0 "[ . 1 .]" 1
869 1 59 ARG HA 1 60 GLY H 2.500 . 3.000 2.531 2.137 3.467 0.467 14 0 "[ . 1 .]" 1
870 1 59 ARG HA 1 61 ILE H 4.500 . 5.500 3.673 3.171 5.102 . 0 0 "[ . 1 .]" 1
871 1 59 ARG H 1 61 ILE H 4.500 . 5.500 3.847 3.002 4.887 . 0 0 "[ . 1 .]" 1
872 1 59 ARG H 1 61 ILE MG 4.500 . 5.500 5.175 4.759 5.642 0.142 8 0 "[ . 1 .]" 1
873 1 18 GLN HG2 1 60 GLY HA3 4.000 . 4.500 4.085 2.761 4.618 0.118 9 0 "[ . 1 .]" 1
874 1 59 ARG H 1 60 GLY H 4.500 . 5.500 3.641 2.246 4.359 . 0 0 "[ . 1 .]" 1
875 1 60 GLY H 1 60 GLY HA2 3.000 . 3.500 2.528 2.322 2.950 . 0 0 "[ . 1 .]" 1
876 1 60 GLY H 1 60 GLY HA3 3.000 . 3.500 2.779 2.319 2.950 . 0 0 "[ . 1 .]" 1
877 1 60 GLY HA2 1 61 ILE H 4.000 . 4.500 3.142 2.376 3.493 . 0 0 "[ . 1 .]" 1
878 1 60 GLY HA3 1 61 ILE H 3.500 . 4.000 3.252 2.723 3.527 . 0 0 "[ . 1 .]" 1
879 1 60 GLY H 1 61 ILE H 3.000 . 3.500 2.462 2.078 3.080 . 0 0 "[ . 1 .]" 1
880 1 18 GLN HG3 1 61 ILE HA 5.000 . 6.000 3.992 2.344 6.022 0.022 4 0 "[ . 1 .]" 1
881 1 18 GLN HA 1 61 ILE HA 4.000 . 4.500 3.113 1.721 4.622 0.122 14 0 "[ . 1 .]" 1
882 1 18 GLN HA 1 61 ILE MD 4.500 . 5.500 4.132 1.982 5.552 0.052 4 0 "[ . 1 .]" 1
883 1 61 ILE HA 1 61 ILE MG 3.500 . 4.000 2.762 2.296 3.209 . 0 0 "[ . 1 .]" 1
884 1 61 ILE HA 1 61 ILE MD 3.500 . 4.000 2.240 1.838 2.962 . 0 0 "[ . 1 .]" 1
885 1 61 ILE H 1 61 ILE HB 3.500 . 4.000 2.574 2.191 3.753 . 0 0 "[ . 1 .]" 1
886 1 61 ILE H 1 61 ILE MD 4.500 . 5.000 3.107 2.017 4.069 . 0 0 "[ . 1 .]" 1
887 1 61 ILE H 1 61 ILE MG 3.500 . 4.000 3.244 2.137 4.056 0.056 14 0 "[ . 1 .]" 1
888 1 61 ILE H 1 61 ILE HA 3.500 2.300 4.000 2.786 2.253 2.914 0.047 14 0 "[ . 1 .]" 1
889 1 61 ILE HA 1 62 ASN HB2 5.000 . 6.000 4.588 4.295 5.600 . 0 0 "[ . 1 .]" 1
890 1 61 ILE HA 1 62 ASN HA 5.000 . 6.000 4.609 4.334 5.260 . 0 0 "[ . 1 .]" 1
891 1 61 ILE MD 1 62 ASN H 4.000 . 4.500 3.813 1.825 4.659 0.159 3 0 "[ . 1 .]" 1
892 1 61 ILE HB 1 62 ASN H 4.000 . 4.500 3.727 1.785 4.230 0.015 7 0 "[ . 1 .]" 1
893 1 61 ILE MG 1 62 ASN H 4.000 . 4.500 2.627 2.034 3.766 . 0 0 "[ . 1 .]" 1
894 1 61 ILE HA 1 62 ASN H 2.500 . 3.000 2.521 2.072 3.394 0.394 7 0 "[ . 1 .]" 1
895 1 61 ILE MG 1 63 PRO HB3 4.000 . 4.500 4.480 4.021 4.622 0.122 2 0 "[ . 1 .]" 1
896 1 61 ILE MG 1 63 PRO QG 4.000 . 4.500 3.722 2.272 4.561 0.061 2 0 "[ . 1 .]" 1
897 1 61 ILE MG 1 64 ASN H 4.500 . 5.500 5.288 4.964 5.694 0.194 15 0 "[ . 1 .]" 1
898 1 61 ILE H 1 62 ASN H 4.500 . 5.500 3.855 2.118 4.565 . 0 0 "[ . 1 .]" 1
899 1 62 ASN HA 1 62 ASN HD22 5.000 . 6.000 4.424 3.448 5.387 . 0 0 "[ . 1 .]" 1
900 1 62 ASN HB3 1 62 ASN HD22 4.000 . 4.500 3.801 3.469 4.103 . 0 0 "[ . 1 .]" 1
901 1 62 ASN HB2 1 62 ASN HD22 4.000 . 4.500 3.614 3.456 4.038 . 0 0 "[ . 1 .]" 1
902 1 62 ASN H 1 62 ASN HB3 3.500 . 4.000 3.714 3.231 4.175 0.175 7 0 "[ . 1 .]" 1
903 1 62 ASN H 1 62 ASN HB2 3.500 . 4.000 2.883 2.342 3.650 . 0 0 "[ . 1 .]" 1
904 1 62 ASN H 1 62 ASN HA 3.000 . 3.500 2.764 2.259 2.956 . 0 0 "[ . 1 .]" 1
905 1 62 ASN HA 1 63 PRO QG 4.500 . 5.000 3.797 3.688 4.060 . 0 0 "[ . 1 .]" 1
906 1 62 ASN HA 1 63 PRO HD2 2.500 . 3.000 2.412 1.949 2.633 . 0 0 "[ . 1 .]" 1
907 1 62 ASN HA 1 63 PRO HD3 2.500 . 3.000 2.022 1.782 2.458 0.018 13 0 "[ . 1 .]" 1
908 1 62 ASN HB3 1 64 ASN H 4.500 . 5.500 3.511 2.768 5.938 0.438 14 0 "[ . 1 .]" 1
909 1 62 ASN HA 1 64 ASN H 4.500 . 5.500 3.764 3.373 4.089 . 0 0 "[ . 1 .]" 1
910 1 62 ASN HA 1 65 ASN H 5.000 . 6.000 4.325 3.122 4.728 . 0 0 "[ . 1 .]" 1
911 1 62 ASN HB3 1 65 ASN H 3.500 . 4.000 3.092 2.369 4.201 0.201 14 0 "[ . 1 .]" 1
912 1 62 ASN HB2 1 65 ASN H 3.500 . 4.000 3.480 3.113 4.002 0.002 7 0 "[ . 1 .]" 1
913 1 62 ASN HA 1 66 ALA H 5.000 . 6.000 5.372 3.902 6.060 0.060 3 0 "[ . 1 .]" 1
914 1 62 ASN H 1 63 PRO HD2 5.000 . 6.000 4.832 3.781 5.305 . 0 0 "[ . 1 .]" 1
915 1 62 ASN HB3 1 63 PRO HD2 5.000 . 6.000 3.760 3.261 4.898 . 0 0 "[ . 1 .]" 1
916 1 62 ASN HB3 1 63 PRO HD3 4.500 . 5.500 4.235 3.875 4.722 . 0 0 "[ . 1 .]" 1
917 1 62 ASN HB2 1 63 PRO HD3 4.500 . 5.500 4.771 4.556 5.098 . 0 0 "[ . 1 .]" 1
918 1 62 ASN HB2 1 63 PRO HD2 4.500 . 5.500 4.756 4.553 5.048 . 0 0 "[ . 1 .]" 1
919 1 63 PRO HA 1 63 PRO QG 3.500 . 4.000 3.217 3.057 3.445 . 0 0 "[ . 1 .]" 1
920 1 63 PRO HB2 1 63 PRO HD2 3.000 . 3.500 3.285 3.035 3.535 0.035 3 0 "[ . 1 .]" 1
921 1 63 PRO HB3 1 64 ASN H 4.500 . 5.500 4.112 3.674 4.405 . 0 0 "[ . 1 .]" 1
922 1 63 PRO HA 1 64 ASN H 4.000 . 4.500 3.493 3.390 3.577 . 0 0 "[ . 1 .]" 1
923 1 63 PRO QG 1 64 ASN H 3.000 . 3.500 3.505 3.065 3.621 0.121 1 0 "[ . 1 .]" 1
924 1 63 PRO QG 1 65 ASN H 4.500 2.800 5.500 5.405 4.685 5.600 0.100 2 0 "[ . 1 .]" 1
925 1 63 PRO HA 1 65 ASN H 4.000 . 4.500 4.069 3.568 4.562 0.062 14 0 "[ . 1 .]" 1
926 1 63 PRO HA 1 66 ALA H 4.000 . 4.500 3.240 2.533 4.322 . 0 0 "[ . 1 .]" 1
927 1 63 PRO HA 1 67 GLU H 4.500 . 5.000 4.485 3.691 5.132 0.132 8 0 "[ . 1 .]" 1
928 1 64 ASN H 1 64 ASN HB3 4.000 . 4.500 2.793 2.338 3.607 . 0 0 "[ . 1 .]" 1
929 1 64 ASN HB2 1 64 ASN HD22 4.000 . 4.500 3.747 3.471 4.057 . 0 0 "[ . 1 .]" 1
930 1 64 ASN H 1 64 ASN HB2 3.500 . 4.000 2.772 2.402 3.617 . 0 0 "[ . 1 .]" 1
931 1 64 ASN H 1 64 ASN HA 3.000 . 3.500 2.820 2.764 2.879 . 0 0 "[ . 1 .]" 1
932 1 64 ASN HB3 1 65 ASN H 3.500 . 4.000 3.259 2.605 4.038 0.038 1 0 "[ . 1 .]" 1
933 1 64 ASN HB2 1 65 ASN H 3.500 . 4.000 3.647 2.620 4.110 0.110 11 0 "[ . 1 .]" 1
934 1 64 ASN HA 1 65 ASN H 3.500 . 4.000 3.502 3.444 3.534 . 0 0 "[ . 1 .]" 1
935 1 64 ASN H 1 65 ASN H 3.000 . 3.500 2.616 2.393 2.771 . 0 0 "[ . 1 .]" 1
936 1 64 ASN HA 1 66 ALA H 4.500 . 5.500 4.128 3.771 4.643 . 0 0 "[ . 1 .]" 1
937 1 64 ASN H 1 66 ALA H 4.500 . 5.500 3.937 3.757 4.207 . 0 0 "[ . 1 .]" 1
938 1 64 ASN HA 1 67 GLU QB 4.000 . 4.500 3.630 2.955 4.564 0.064 6 0 "[ . 1 .]" 1
939 1 64 ASN HA 1 67 GLU H 3.500 . 4.000 3.653 3.366 4.022 0.022 4 0 "[ . 1 .]" 1
940 1 64 ASN HA 1 68 ALA H 4.500 . 5.500 4.688 4.110 5.417 . 0 0 "[ . 1 .]" 1
941 1 16 PHE HZ 1 65 ASN HB2 5.000 . 6.000 5.271 4.857 5.561 . 0 0 "[ . 1 .]" 1
942 1 16 PHE QD 1 65 ASN HA 4.500 . 5.500 4.797 4.453 5.349 . 0 0 "[ . 1 .]" 1
943 1 16 PHE QD 1 65 ASN HB2 4.000 . 4.500 4.537 4.369 4.611 0.111 11 0 "[ . 1 .]" 1
944 1 16 PHE QE 1 65 ASN HB2 4.000 . 4.500 4.095 3.904 4.354 . 0 0 "[ . 1 .]" 1
945 1 16 PHE QD 1 65 ASN HB3 3.500 . 4.000 3.158 2.977 3.416 . 0 0 "[ . 1 .]" 1
946 1 16 PHE QE 1 65 ASN HB3 3.500 . 4.000 2.545 2.386 2.978 . 0 0 "[ . 1 .]" 1
947 1 16 PHE HZ 1 65 ASN HB3 3.500 . 4.000 3.747 3.145 4.042 0.042 2 0 "[ . 1 .]" 1
948 1 16 PHE QE 1 65 ASN HA 3.000 . 3.500 2.960 2.534 3.607 0.107 9 0 "[ . 1 .]" 1
949 1 16 PHE HZ 1 65 ASN HA 3.000 . 3.500 3.357 2.865 3.589 0.089 11 0 "[ . 1 .]" 1
950 1 17 LEU HG 1 65 ASN HB2 4.000 . 4.500 3.972 3.101 4.546 0.046 13 0 "[ . 1 .]" 1
951 1 17 LEU MD1 1 65 ASN HB2 3.500 . 4.000 2.594 1.712 3.359 0.088 13 0 "[ . 1 .]" 1
952 1 17 LEU HA 1 65 ASN HA 4.000 . 4.500 4.609 4.528 4.703 0.203 6 0 "[ . 1 .]" 1
953 1 17 LEU MD1 1 65 ASN HB3 3.000 . 3.500 2.804 1.984 4.411 0.911 9 1 "[ . +1 .]" 1
954 1 17 LEU HA 1 65 ASN HB3 3.000 . 3.500 2.288 2.122 2.486 . 0 0 "[ . 1 .]" 1
955 1 65 ASN H 1 65 ASN HB3 3.000 . 3.500 3.599 3.581 3.626 0.126 4 0 "[ . 1 .]" 1
956 1 65 ASN H 1 65 ASN HB2 3.000 . 3.500 2.485 2.407 2.736 . 0 0 "[ . 1 .]" 1
957 1 65 ASN HB2 1 66 ALA MB 4.500 . 6.000 4.189 3.950 4.430 . 0 0 "[ . 1 .]" 1
958 1 65 ASN H 1 66 ALA MB 4.000 . 4.500 4.095 3.960 4.255 . 0 0 "[ . 1 .]" 1
959 1 65 ASN HA 1 66 ALA H 3.500 . 4.000 3.448 3.358 3.498 . 0 0 "[ . 1 .]" 1
960 1 65 ASN HB3 1 66 ALA H 3.500 . 4.000 3.951 3.781 4.118 0.118 15 0 "[ . 1 .]" 1
961 1 65 ASN HB2 1 66 ALA H 3.500 . 4.000 2.982 2.781 3.205 . 0 0 "[ . 1 .]" 1
962 1 65 ASN H 1 66 ALA H 3.000 . 3.500 2.389 2.240 2.547 . 0 0 "[ . 1 .]" 1
963 1 65 ASN H 1 67 GLU H 4.500 . 5.500 4.131 3.864 4.603 . 0 0 "[ . 1 .]" 1
964 1 65 ASN HA 1 67 GLU H 4.000 . 4.500 4.202 3.595 4.523 0.023 8 0 "[ . 1 .]" 1
965 1 65 ASN H 1 68 ALA MB 4.500 . 5.500 4.422 4.214 4.907 . 0 0 "[ . 1 .]" 1
966 1 65 ASN HA 1 68 ALA H 3.500 . 4.000 3.176 2.896 3.383 . 0 0 "[ . 1 .]" 1
967 1 65 ASN HB2 1 68 ALA MB 4.000 . 4.500 4.554 4.221 4.654 0.154 9 0 "[ . 1 .]" 1
968 1 65 ASN HA 1 68 ALA MB 3.000 . 3.500 2.153 1.951 2.552 . 0 0 "[ . 1 .]" 1
969 1 66 ALA H 1 66 ALA HA 3.000 . 3.500 2.840 2.808 2.867 . 0 0 "[ . 1 .]" 1
970 1 66 ALA HA 1 67 GLU H 3.500 . 4.000 3.520 3.441 3.572 . 0 0 "[ . 1 .]" 1
971 1 66 ALA MB 1 67 GLU H 3.000 . 3.500 2.632 2.391 2.871 . 0 0 "[ . 1 .]" 1
972 1 66 ALA HA 1 68 ALA H 4.000 . 4.500 3.952 3.612 4.287 . 0 0 "[ . 1 .]" 1
973 1 66 ALA H 1 67 GLU H 3.000 . 3.500 2.577 2.447 2.730 . 0 0 "[ . 1 .]" 1
974 1 67 GLU H 1 67 GLU HG3 4.500 . 5.500 3.759 2.352 4.528 . 0 0 "[ . 1 .]" 1
975 1 67 GLU H 1 67 GLU HG2 4.500 . 5.500 3.562 1.867 4.679 . 0 0 "[ . 1 .]" 1
976 1 67 GLU H 1 67 GLU QB 3.500 . 4.000 2.425 2.232 2.832 . 0 0 "[ . 1 .]" 1
977 1 67 GLU H 1 67 GLU HA 3.000 . 3.500 2.889 2.860 2.913 . 0 0 "[ . 1 .]" 1
978 1 67 GLU HG2 1 68 ALA H 5.000 . 6.000 4.445 3.083 5.499 . 0 0 "[ . 1 .]" 1
979 1 67 GLU HG3 1 68 ALA H 4.500 . 5.000 4.216 2.901 5.003 0.003 7 0 "[ . 1 .]" 1
980 1 67 GLU H 1 68 ALA MB 4.000 . 4.500 4.022 3.940 4.149 . 0 0 "[ . 1 .]" 1
981 1 67 GLU QB 1 68 ALA H 3.500 . 4.000 3.211 2.651 3.921 . 0 0 "[ . 1 .]" 1
982 1 67 GLU HA 1 68 ALA H 3.500 . 4.000 3.372 3.157 3.475 . 0 0 "[ . 1 .]" 1
983 1 67 GLU H 1 68 ALA H 3.000 . 3.500 2.371 2.255 2.529 . 0 0 "[ . 1 .]" 1
984 1 67 GLU HG3 1 68 ALA MB 4.500 . 5.500 4.936 3.426 6.001 0.501 7 1 "[ . + 1 .]" 1
985 1 67 GLU HG2 1 68 ALA MB 5.000 . 6.000 5.269 4.184 6.159 0.159 14 0 "[ . 1 .]" 1
986 1 67 GLU HA 1 70 PRO HG2 3.000 . 3.500 3.533 2.941 3.848 0.348 9 0 "[ . 1 .]" 1
987 1 67 GLU HA 1 70 PRO HG3 3.500 . 4.000 3.468 2.633 4.037 0.037 7 0 "[ . 1 .]" 1
988 1 67 GLU HA 1 71 GLY H 5.000 . 6.000 5.367 4.860 5.599 . 0 0 "[ . 1 .]" 1
989 1 67 GLU HA 1 81 ILE MD 4.500 . 5.500 3.953 1.739 5.530 0.061 6 0 "[ . 1 .]" 1
990 1 68 ALA HA 1 71 GLY H 3.500 . 4.000 3.568 3.017 3.907 . 0 0 "[ . 1 .]" 1
991 1 68 ALA HA 1 71 GLY QA 3.500 . 4.000 3.812 3.167 4.064 0.064 13 0 "[ . 1 .]" 1
992 1 68 ALA HA 1 72 LYS H 4.500 . 5.500 4.421 3.700 5.105 . 0 0 "[ . 1 .]" 1
993 1 31 VAL MG1 1 70 PRO HB2 4.500 . 5.000 4.790 4.002 5.448 0.448 10 0 "[ . 1 .]" 1
994 1 31 VAL MG1 1 70 PRO HG2 4.500 . 5.500 5.527 4.834 6.160 0.660 10 2 "[ . -+ .]" 1
995 1 70 PRO HB2 1 70 PRO HD2 4.000 . 4.500 3.968 2.963 4.065 . 0 0 "[ . 1 .]" 1
996 1 70 PRO HB2 1 70 PRO HD3 4.000 . 4.500 3.891 3.846 3.986 . 0 0 "[ . 1 .]" 1
997 1 70 PRO HB3 1 70 PRO HD2 4.000 . 4.500 3.884 3.860 3.917 . 0 0 "[ . 1 .]" 1
998 1 70 PRO HB3 1 71 GLY H 4.000 . 4.500 4.251 4.031 4.509 0.009 5 0 "[ . 1 .]" 1
999 1 70 PRO HB2 1 71 GLY H 3.500 . 4.000 3.404 2.856 4.017 0.017 5 0 "[ . 1 .]" 1
1000 1 70 PRO HA 1 71 GLY H 3.500 . 4.000 3.468 3.259 3.539 . 0 0 "[ . 1 .]" 1
1001 1 70 PRO HB3 1 75 VAL MG2 4.500 . 5.500 2.963 2.192 5.195 . 0 0 "[ . 1 .]" 1
1002 1 70 PRO HB3 1 77 ILE MD 4.500 . 5.000 2.941 1.787 3.809 0.013 12 0 "[ . 1 .]" 1
1003 1 71 GLY QA 1 72 LYS H 3.500 . 4.000 2.633 2.089 2.851 . 0 0 "[ . 1 .]" 1
1004 1 71 GLY H 1 72 LYS H 3.000 . 3.500 2.680 2.418 3.563 0.063 15 0 "[ . 1 .]" 1
1005 1 71 GLY QA 1 73 CYS H 4.500 . 5.500 3.842 2.600 4.334 . 0 0 "[ . 1 .]" 1
1006 1 71 GLY H 1 73 CYS H 4.500 . 5.500 4.065 3.576 4.754 . 0 0 "[ . 1 .]" 1
1007 1 71 GLY QA 1 74 GLY H 4.000 . 4.500 3.725 3.363 4.530 0.030 15 0 "[ . 1 .]" 1
1008 1 71 GLY QA 1 75 VAL H 5.000 . 6.000 4.011 3.454 4.840 . 0 0 "[ . 1 .]" 1
1009 1 72 LYS QB 1 72 LYS QZ 4.500 . 5.500 3.150 2.138 4.157 . 0 0 "[ . 1 .]" 1
1010 1 72 LYS H 1 72 LYS HE3 4.500 . 5.500 4.733 3.085 5.443 . 0 0 "[ . 1 .]" 1
1011 1 72 LYS H 1 72 LYS HE2 4.000 . 4.500 4.275 2.604 5.270 0.770 12 2 "[ . - 1 + .]" 1
1012 1 72 LYS QG 1 72 LYS QZ 4.000 . 4.500 2.613 1.909 3.504 . 0 0 "[ . 1 .]" 1
1013 1 72 LYS HA 1 72 LYS HD3 3.500 . 4.000 3.402 2.299 4.045 0.045 10 0 "[ . 1 .]" 1
1014 1 72 LYS HA 1 72 LYS HD2 3.500 . 4.000 2.722 2.069 4.045 0.045 10 0 "[ . 1 .]" 1
1015 1 72 LYS QB 1 72 LYS HD2 3.500 . 4.000 3.148 2.889 3.516 . 0 0 "[ . 1 .]" 1
1016 1 72 LYS H 1 72 LYS QB 3.500 . 4.000 2.451 2.114 2.805 . 0 0 "[ . 1 .]" 1
1017 1 72 LYS H 1 72 LYS HD3 3.500 . 4.000 3.463 2.278 4.115 0.115 13 0 "[ . 1 .]" 1
1018 1 72 LYS H 1 72 LYS QG 3.500 . 4.000 2.590 1.780 3.814 0.020 10 0 "[ . 1 .]" 1
1019 1 72 LYS H 1 72 LYS HD2 3.500 . 4.000 3.382 2.664 4.106 0.106 4 0 "[ . 1 .]" 1
1020 1 72 LYS QB 1 72 LYS HD3 3.500 . 4.000 3.103 2.218 3.533 . 0 0 "[ . 1 .]" 1
1021 1 72 LYS QB 1 72 LYS HE3 3.000 . 3.500 3.160 1.998 3.914 0.414 10 0 "[ . 1 .]" 1
1022 1 72 LYS QB 1 72 LYS HE2 3.000 . 3.500 2.534 1.870 3.654 0.154 10 0 "[ . 1 .]" 1
1023 1 72 LYS H 1 72 LYS HA 3.000 . 3.500 2.844 2.772 2.928 . 0 0 "[ . 1 .]" 1
1024 1 72 LYS HA 1 72 LYS QG 3.000 . 3.500 2.846 2.211 3.419 . 0 0 "[ . 1 .]" 1
1025 1 72 LYS HD3 1 72 LYS QG 2.500 . 3.000 2.290 2.170 2.522 . 0 0 "[ . 1 .]" 1
1026 1 72 LYS HD3 1 72 LYS HE2 2.500 . 3.000 2.674 2.293 3.020 0.020 2 0 "[ . 1 .]" 1
1027 1 72 LYS HA 1 73 CYS H 3.500 . 4.000 3.401 3.031 3.557 . 0 0 "[ . 1 .]" 1
1028 1 72 LYS QB 1 73 CYS H 4.000 . 4.500 3.003 2.440 3.891 . 0 0 "[ . 1 .]" 1
1029 1 72 LYS H 1 73 CYS H 3.000 . 3.500 2.665 2.313 2.925 . 0 0 "[ . 1 .]" 1
1030 1 72 LYS HA 1 74 GLY H 4.500 . 5.500 3.832 3.286 4.670 . 0 0 "[ . 1 .]" 1
1031 1 72 LYS H 1 74 GLY H 4.500 . 5.500 4.107 3.762 4.851 . 0 0 "[ . 1 .]" 1
1032 1 23 VAL MG1 1 73 CYS HA 5.000 . 6.000 4.624 4.320 5.407 . 0 0 "[ . 1 .]" 1
1033 1 28 CYS HB3 1 73 CYS HB2 4.500 . 5.500 4.149 3.478 4.395 . 0 0 "[ . 1 .]" 1
1034 1 28 CYS HB2 1 73 CYS HB3 4.000 . 4.500 4.127 3.515 4.348 . 0 0 "[ . 1 .]" 1
1035 1 31 VAL MG1 1 73 CYS HB3 4.000 . 4.500 4.076 3.004 4.621 0.121 10 0 "[ . 1 .]" 1
1036 1 31 VAL MG1 1 73 CYS HB2 4.000 . 4.500 3.488 2.549 4.347 . 0 0 "[ . 1 .]" 1
1037 1 32 LYS HA 1 73 CYS HB3 4.500 . 5.500 5.360 4.622 5.706 0.206 9 0 "[ . 1 .]" 1
1038 1 73 CYS H 1 73 CYS HB3 3.500 . 4.000 3.483 2.666 3.768 . 0 0 "[ . 1 .]" 1
1039 1 73 CYS H 1 73 CYS HB2 3.500 . 4.000 2.627 2.462 3.118 . 0 0 "[ . 1 .]" 1
1040 1 73 CYS HB3 1 74 GLY H 4.500 . 5.500 4.130 2.821 4.538 . 0 0 "[ . 1 .]" 1
1041 1 73 CYS HB2 1 74 GLY H 4.000 . 4.500 3.716 3.206 4.355 . 0 0 "[ . 1 .]" 1
1042 1 73 CYS HA 1 74 GLY H 3.500 . 4.000 3.272 3.138 3.537 . 0 0 "[ . 1 .]" 1
1043 1 73 CYS HB3 1 75 VAL MG2 3.000 . 3.500 2.975 2.004 3.538 0.038 15 0 "[ . 1 .]" 1
1044 1 73 CYS HA 1 75 VAL MG2 5.000 . 6.000 4.401 4.092 4.712 . 0 0 "[ . 1 .]" 1
1045 1 73 CYS HA 1 75 VAL H 4.500 . 5.500 4.991 4.387 5.470 . 0 0 "[ . 1 .]" 1
1046 1 73 CYS H 1 75 VAL MG2 4.500 . 5.500 3.624 2.956 4.017 . 0 0 "[ . 1 .]" 1
1047 1 73 CYS H 1 75 VAL MG1 4.500 . 5.500 5.332 4.963 5.588 0.088 11 0 "[ . 1 .]" 1
1048 1 73 CYS HB2 1 75 VAL MG2 3.000 . 3.500 2.493 1.910 3.522 0.022 5 0 "[ . 1 .]" 1
1049 1 72 LYS QB 1 74 GLY H 5.000 . 6.000 4.572 4.310 5.326 . 0 0 "[ . 1 .]" 1
1050 1 73 CYS H 1 74 GLY H 3.000 . 3.500 2.385 1.828 2.620 . 0 0 "[ . 1 .]" 1
1051 1 74 GLY H 1 74 GLY HA3 3.000 . 3.500 2.849 2.771 2.951 . 0 0 "[ . 1 .]" 1
1052 1 74 GLY H 1 74 GLY HA2 3.000 . 3.500 2.312 2.283 2.419 . 0 0 "[ . 1 .]" 1
1053 1 74 GLY H 1 75 VAL MG1 4.500 . 5.500 4.707 4.280 5.599 0.099 11 0 "[ . 1 .]" 1
1054 1 74 GLY H 1 75 VAL MG2 4.500 . 5.500 3.534 3.054 3.876 . 0 0 "[ . 1 .]" 1
1055 1 74 GLY HA3 1 75 VAL H 4.000 . 4.500 3.485 3.205 3.575 . 0 0 "[ . 1 .]" 1
1056 1 74 GLY HA2 1 75 VAL H 3.500 . 4.000 2.873 2.497 3.306 . 0 0 "[ . 1 .]" 1
1057 1 74 GLY HA2 1 76 ASN H 4.500 . 5.500 4.472 3.099 5.541 0.041 7 0 "[ . 1 .]" 1
1058 1 32 LYS QE 1 75 VAL MG2 4.000 . 4.500 3.862 2.337 4.541 0.041 6 0 "[ . 1 .]" 1
1059 1 32 LYS QE 1 75 VAL MG1 3.500 . 4.000 2.627 1.781 4.015 0.019 5 0 "[ . 1 .]" 1
1060 1 70 PRO HB2 1 75 VAL MG2 4.000 . 4.500 3.248 2.687 4.290 . 0 0 "[ . 1 .]" 1
1061 1 73 CYS HB3 1 75 VAL H 4.500 . 5.500 4.495 2.797 5.517 0.017 11 0 "[ . 1 .]" 1
1062 1 73 CYS HB2 1 75 VAL H 4.500 . 5.500 3.950 3.117 5.438 . 0 0 "[ . 1 .]" 1
1063 1 73 CYS H 1 75 VAL H 4.500 . 5.500 3.892 3.173 4.665 . 0 0 "[ . 1 .]" 1
1064 1 74 GLY H 1 75 VAL H 3.000 . 3.500 2.627 2.102 2.964 . 0 0 "[ . 1 .]" 1
1065 1 75 VAL H 1 75 VAL MG1 4.000 . 4.500 3.206 2.829 3.674 . 0 0 "[ . 1 .]" 1
1066 1 75 VAL HA 1 75 VAL MG1 3.500 . 4.000 2.233 2.135 2.594 . 0 0 "[ . 1 .]" 1
1067 1 75 VAL H 1 75 VAL HB 3.500 . 4.000 3.597 2.401 3.809 . 0 0 "[ . 1 .]" 1
1068 1 75 VAL H 1 75 VAL MG2 3.500 . 4.000 2.093 1.778 2.948 0.022 14 0 "[ . 1 .]" 1
1069 1 75 VAL H 1 75 VAL HA 3.000 . 3.500 2.929 2.890 2.942 . 0 0 "[ . 1 .]" 1
1070 1 75 VAL MG1 1 76 ASN H 4.500 . 5.000 4.006 2.572 4.470 . 0 0 "[ . 1 .]" 1
1071 1 75 VAL MG2 1 76 ASN H 4.000 . 4.500 3.540 1.714 4.319 0.086 7 0 "[ . 1 .]" 1
1072 1 75 VAL HA 1 76 ASN H 3.000 . 3.500 2.772 2.206 3.556 0.056 5 0 "[ . 1 .]" 1
1073 1 75 VAL HB 1 76 ASN H 4.000 . 4.500 3.690 2.199 4.225 . 0 0 "[ . 1 .]" 1
1074 1 74 GLY H 1 76 ASN H 4.500 . 5.500 5.284 4.526 5.606 0.106 8 0 "[ . 1 .]" 1
1075 1 75 VAL H 1 76 ASN H 3.500 . 4.000 3.147 2.128 4.036 0.036 14 0 "[ . 1 .]" 1
1076 1 76 ASN H 1 76 ASN HB3 4.000 . 4.500 3.252 2.414 4.124 . 0 0 "[ . 1 .]" 1
1077 1 76 ASN H 1 76 ASN HB2 4.000 . 4.500 2.880 2.338 3.615 . 0 0 "[ . 1 .]" 1
1078 1 76 ASN HA 1 76 ASN HB3 3.000 . 3.500 2.855 2.352 3.032 . 0 0 "[ . 1 .]" 1
1079 1 76 ASN H 1 76 ASN HA 3.000 . 3.500 2.643 2.251 2.913 . 0 0 "[ . 1 .]" 1
1080 1 76 ASN HB3 1 77 ILE H 4.500 . 5.500 4.240 3.537 4.464 . 0 0 "[ . 1 .]" 1
1081 1 76 ASN HB2 1 77 ILE H 4.500 . 5.500 4.457 3.988 4.639 . 0 0 "[ . 1 .]" 1
1082 1 76 ASN H 1 77 ILE H 3.500 . 4.000 3.892 3.256 4.143 0.143 14 0 "[ . 1 .]" 1
1083 1 76 ASN HA 1 77 ILE H 2.500 . 3.000 2.195 2.109 2.362 . 0 0 "[ . 1 .]" 1
1084 1 35 LEU QD 1 77 ILE HA 5.000 . 6.000 4.168 2.019 5.258 . 0 0 "[ . 1 .]" 1
1085 1 77 ILE HA 1 77 ILE MD 4.500 . 5.500 3.849 3.546 4.195 . 0 0 "[ . 1 .]" 1
1086 1 77 ILE H 1 77 ILE MD 4.500 . 5.500 2.810 1.699 4.455 0.101 10 0 "[ . 1 .]" 1
1087 1 77 ILE H 1 77 ILE QG 4.500 . 5.500 2.567 1.709 3.995 0.091 8 0 "[ . 1 .]" 1
1088 1 77 ILE H 1 77 ILE MG 4.500 . 5.500 2.592 1.898 3.399 . 0 0 "[ . 1 .]" 1
1089 1 77 ILE HB 1 77 ILE MD 3.500 . 4.000 2.797 2.310 3.262 . 0 0 "[ . 1 .]" 1
1090 1 77 ILE H 1 77 ILE HB 3.500 . 4.000 3.555 2.699 3.838 . 0 0 "[ . 1 .]" 1
1091 1 77 ILE MD 1 77 ILE MG 3.500 . 4.000 1.993 1.831 3.264 . 0 0 "[ . 1 .]" 1
1092 1 77 ILE H 1 77 ILE HA 3.000 . 3.500 2.907 2.858 2.935 . 0 0 "[ . 1 .]" 1
1093 1 77 ILE HB 1 77 ILE QG 2.500 . 3.000 2.271 2.169 2.424 . 0 0 "[ . 1 .]" 1
1094 1 77 ILE H 1 78 PRO HD2 5.000 . 6.000 5.157 4.670 5.428 . 0 0 "[ . 1 .]" 1
1095 1 77 ILE HA 1 78 PRO HD2 2.500 . 3.000 2.806 2.351 3.021 0.021 14 0 "[ . 1 .]" 1
1096 1 77 ILE HA 1 78 PRO HD3 2.500 . 3.000 2.015 1.713 2.751 0.087 2 0 "[ . 1 .]" 1
1097 1 77 ILE QG 1 79 TYR QB 4.500 . 5.500 4.317 2.696 5.262 . 0 0 "[ . 1 .]" 1
1098 1 77 ILE MD 1 79 TYR QD 4.000 . 4.500 3.182 1.797 3.935 0.003 1 0 "[ . 1 .]" 1
1099 1 77 ILE MD 1 79 TYR QE 4.000 . 4.500 2.668 1.772 4.510 0.028 11 0 "[ . 1 .]" 1
1100 1 77 ILE HB 1 79 TYR QE 4.500 . 5.500 3.838 2.725 5.467 . 0 0 "[ . 1 .]" 1
1101 1 77 ILE QG 1 79 TYR QD 3.000 . 3.500 3.190 2.075 3.758 0.258 6 0 "[ . 1 .]" 1
1102 1 77 ILE QG 1 79 TYR QE 3.000 . 3.500 3.192 2.574 3.654 0.154 11 0 "[ . 1 .]" 1
1103 1 77 ILE MD 1 81 ILE H 5.000 . 6.000 4.678 3.648 5.896 . 0 0 "[ . 1 .]" 1
1104 1 77 ILE MD 1 78 PRO HD2 4.500 . 5.500 4.488 3.691 4.866 . 0 0 "[ . 1 .]" 1
1105 1 77 ILE HB 1 78 PRO HD3 4.000 . 4.500 3.237 2.693 4.042 . 0 0 "[ . 1 .]" 1
1106 1 77 ILE MG 1 78 PRO HD3 4.500 . 5.000 3.508 2.389 4.417 . 0 0 "[ . 1 .]" 1
1107 1 77 ILE HB 1 78 PRO HD2 3.500 . 4.000 2.520 1.709 4.503 0.503 2 1 "[ + . 1 .]" 1
1108 1 78 PRO HA 1 78 PRO HG2 4.000 . 4.500 3.953 3.841 4.065 . 0 0 "[ . 1 .]" 1
1109 1 78 PRO HA 1 78 PRO HG3 3.500 . 4.000 3.280 2.896 4.042 0.042 12 0 "[ . 1 .]" 1
1110 1 78 PRO HB2 1 78 PRO HD3 3.500 . 4.000 3.896 3.856 3.961 . 0 0 "[ . 1 .]" 1
1111 1 78 PRO HD3 1 78 PRO HG3 2.500 . 3.000 2.316 2.297 2.332 . 0 0 "[ . 1 .]" 1
1112 1 78 PRO HA 1 79 TYR H 4.500 . 5.500 3.442 2.774 3.604 . 0 0 "[ . 1 .]" 1
1113 1 79 TYR H 1 79 TYR QB 3.500 . 4.000 2.765 2.512 3.150 . 0 0 "[ . 1 .]" 1
1114 1 79 TYR H 1 79 TYR HA 3.000 . 3.500 2.849 2.247 2.943 . 0 0 "[ . 1 .]" 1
1115 1 79 TYR QD 1 80 LYS QD 4.000 . 4.500 4.605 4.379 4.673 0.173 10 0 "[ . 1 .]" 1
1116 1 79 TYR HA 1 80 LYS H 2.500 . 3.000 2.543 2.187 2.824 . 0 0 "[ . 1 .]" 1
1117 1 79 TYR QB 1 80 LYS H 2.500 . 3.000 2.203 1.746 2.853 0.054 3 0 "[ . 1 .]" 1
1118 1 80 LYS H 1 80 LYS QD 4.500 . 5.500 3.733 1.910 4.415 . 0 0 "[ . 1 .]" 1
1119 1 80 LYS H 1 80 LYS HB3 4.000 . 4.500 3.542 2.714 3.825 . 0 0 "[ . 1 .]" 1
1120 1 80 LYS H 1 80 LYS QG 4.000 . 4.500 3.259 2.281 4.229 . 0 0 "[ . 1 .]" 1
1121 1 80 LYS HB3 1 80 LYS QD 3.500 . 4.000 2.717 2.397 3.413 . 0 0 "[ . 1 .]" 1
1122 1 80 LYS HA 1 80 LYS QD 3.500 . 4.000 1.940 1.729 3.528 0.071 6 0 "[ . 1 .]" 1
1123 1 80 LYS HA 1 80 LYS QG 3.500 . 4.000 2.893 2.408 3.163 . 0 0 "[ . 1 .]" 1
1124 1 80 LYS H 1 80 LYS HB2 3.500 . 4.000 2.666 2.529 2.987 . 0 0 "[ . 1 .]" 1
1125 1 80 LYS H 1 80 LYS HA 3.000 . 3.500 2.929 2.886 2.944 . 0 0 "[ . 1 .]" 1
1126 1 80 LYS QD 1 81 ILE H 5.000 . 6.000 3.300 1.761 4.958 0.039 13 0 "[ . 1 .]" 1
1127 1 80 LYS HB3 1 81 ILE H 4.500 . 5.500 2.735 1.791 4.181 0.009 4 0 "[ . 1 .]" 1
1128 1 80 LYS HB2 1 81 ILE H 4.500 . 5.500 3.663 3.199 4.353 . 0 0 "[ . 1 .]" 1
1129 1 80 LYS QG 1 81 ILE H 4.000 . 4.500 3.839 1.791 4.659 0.159 10 0 "[ . 1 .]" 1
1130 1 80 LYS HA 1 81 ILE H 2.500 . 3.000 2.493 2.068 3.284 0.284 12 0 "[ . 1 .]" 1
1131 1 67 GLU HA 1 81 ILE MG 4.000 . 4.500 3.695 2.104 4.599 0.099 13 0 "[ . 1 .]" 1
1132 1 77 ILE MD 1 81 ILE MG 5.000 . 6.000 4.082 2.018 6.117 0.117 6 0 "[ . 1 .]" 1
1133 1 80 LYS H 1 81 ILE H 4.500 . 5.500 4.134 2.157 4.572 . 0 0 "[ . 1 .]" 1
1134 1 81 ILE H 1 81 ILE MD 4.500 . 5.500 3.387 1.891 4.682 . 0 0 "[ . 1 .]" 1
1135 1 81 ILE H 1 81 ILE HB 4.000 . 4.500 3.159 2.454 3.987 . 0 0 "[ . 1 .]" 1
1136 1 81 ILE H 1 81 ILE QG 4.000 . 4.500 2.768 1.749 4.057 0.051 14 0 "[ . 1 .]" 1
1137 1 81 ILE H 1 81 ILE MG 4.000 . 4.500 2.746 1.787 4.024 0.013 8 0 "[ . 1 .]" 1
1138 1 81 ILE HA 1 81 ILE MD 4.000 . 4.500 3.269 1.953 4.196 . 0 0 "[ . 1 .]" 1
1139 1 81 ILE HB 1 81 ILE MD 3.000 . 3.500 2.669 2.265 3.239 . 0 0 "[ . 1 .]" 1
1140 1 81 ILE MG 1 82 SER H 5.000 . 6.000 3.692 2.261 4.403 . 0 0 "[ . 1 .]" 1
1141 1 81 ILE MD 1 82 SER H 4.000 . 4.500 3.970 2.647 4.657 0.157 9 0 "[ . 1 .]" 1
1142 1 81 ILE HA 1 82 SER H 3.500 . 4.000 3.281 2.882 3.481 . 0 0 "[ . 1 .]" 1
1143 1 80 LYS HB3 1 82 SER HB3 4.500 . 5.500 4.278 2.941 5.343 . 0 0 "[ . 1 .]" 1
1144 1 80 LYS QG 1 82 SER H 4.500 . 5.000 3.960 1.822 4.809 . 0 0 "[ . 1 .]" 1
1145 1 80 LYS QD 1 82 SER H 4.000 . 4.500 4.362 3.460 4.833 0.333 12 0 "[ . 1 .]" 1
1146 1 80 LYS HB3 1 82 SER H 3.500 . 4.000 2.581 2.254 3.112 . 0 0 "[ . 1 .]" 1
1147 1 82 SER H 1 82 SER HB3 3.500 . 4.000 3.169 2.477 3.584 . 0 0 "[ . 1 .]" 1
1148 1 82 SER H 1 82 SER HA 3.000 . 3.500 2.828 2.754 2.942 . 0 0 "[ . 1 .]" 1
1149 1 82 SER HA 1 83 THR H 2.500 . 3.000 2.408 2.155 3.026 0.026 9 0 "[ . 1 .]" 1
1150 1 52 LYS QB 1 83 THR HB 5.000 . 6.000 4.278 3.447 5.810 . 0 0 "[ . 1 .]" 1
1151 1 52 LYS QB 1 83 THR MG 4.500 . 5.500 3.131 1.790 4.398 0.010 7 0 "[ . 1 .]" 1
1152 1 52 LYS QG 1 83 THR MG 4.000 . 4.500 3.279 1.774 4.328 0.026 14 0 "[ . 1 .]" 1
1153 1 82 SER H 1 83 THR H 4.500 . 5.500 4.375 3.051 4.639 . 0 0 "[ . 1 .]" 1
1154 1 83 THR H 1 83 THR HB 4.000 . 4.500 3.442 2.545 4.051 . 0 0 "[ . 1 .]" 1
1155 1 83 THR HA 1 83 THR MG 3.500 . 4.000 2.345 2.187 3.211 . 0 0 "[ . 1 .]" 1
1156 1 83 THR H 1 83 THR MG 3.500 . 4.000 2.651 2.135 3.779 . 0 0 "[ . 1 .]" 1
1157 1 83 THR HB 1 84 SER H 4.500 . 5.500 3.951 2.614 4.515 . 0 0 "[ . 1 .]" 1
1158 1 83 THR MG 1 84 SER H 4.000 . 4.500 4.129 3.471 4.415 . 0 0 "[ . 1 .]" 1
1159 1 83 THR HA 1 84 SER H 3.500 . 4.000 3.287 2.879 3.547 . 0 0 "[ . 1 .]" 1
1160 1 83 THR H 1 84 SER H 3.000 . 3.500 2.692 2.331 3.174 . 0 0 "[ . 1 .]" 1
1161 1 83 THR MG 1 85 THR H 5.000 . 6.000 5.113 4.168 6.046 0.046 8 0 "[ . 1 .]" 1
1162 1 83 THR H 1 85 THR H 4.500 . 5.500 4.651 4.218 5.538 0.038 8 0 "[ . 1 .]" 1
1163 1 82 SER HB2 1 84 SER H 4.500 . 5.500 3.343 2.330 4.656 . 0 0 "[ . 1 .]" 1
1164 1 84 SER H 1 84 SER HB2 4.000 . 4.500 2.790 2.478 3.651 . 0 0 "[ . 1 .]" 1
1165 1 84 SER H 1 84 SER HB3 3.500 . 4.000 3.232 2.544 3.840 . 0 0 "[ . 1 .]" 1
1166 1 84 SER H 1 84 SER HA 3.000 . 3.500 2.907 2.779 2.947 . 0 0 "[ . 1 .]" 1
1167 1 84 SER HB3 1 85 THR H 4.500 . 5.500 4.272 3.769 4.512 . 0 0 "[ . 1 .]" 1
1168 1 84 SER HA 1 85 THR H 3.500 . 4.000 3.007 2.286 3.523 . 0 0 "[ . 1 .]" 1
1169 1 84 SER H 1 85 THR H 3.000 . 3.500 2.738 2.095 3.610 0.110 2 0 "[ . 1 .]" 1
1170 1 79 TYR QE 1 85 THR MG 5.000 . 6.000 4.847 3.418 5.669 . 0 0 "[ . 1 .]" 1
1171 1 79 TYR HA 1 85 THR MG 3.500 . 4.000 3.763 2.832 4.138 0.138 15 0 "[ . 1 .]" 1
1172 1 79 TYR QD 1 85 THR MG 3.500 . 4.000 3.338 1.791 4.050 0.050 2 0 "[ . 1 .]" 1
1173 1 79 TYR QB 1 85 THR MG 2.500 . 3.000 2.257 1.752 3.020 0.048 9 0 "[ . 1 .]" 1
1174 1 80 LYS H 1 85 THR MG 4.000 . 4.500 2.469 1.771 2.983 0.029 9 0 "[ . 1 .]" 1
1175 1 80 LYS HB3 1 85 THR MG 4.500 . 5.500 4.629 3.787 5.464 . 0 0 "[ . 1 .]" 1
1176 1 85 THR H 1 85 THR MG 4.500 . 5.500 3.046 1.979 3.930 . 0 0 "[ . 1 .]" 1
1177 1 85 THR HA 1 85 THR MG 3.500 . 4.000 2.759 2.162 3.225 . 0 0 "[ . 1 .]" 1
1178 1 85 THR H 1 85 THR HB 3.000 . 3.500 2.710 2.390 3.302 . 0 0 "[ . 1 .]" 1
1179 1 85 THR HB 1 86 ASN H 5.000 . 6.000 3.879 2.609 4.404 . 0 0 "[ . 1 .]" 1
1180 1 85 THR MG 1 86 ASN HB3 5.000 . 6.000 4.731 3.459 5.523 . 0 0 "[ . 1 .]" 1
1181 1 85 THR MG 1 86 ASN HB2 5.000 . 6.000 5.163 4.283 5.639 . 0 0 "[ . 1 .]" 1
1182 1 85 THR HA 1 86 ASN HB2 5.000 . 6.000 5.132 4.312 5.799 . 0 0 "[ . 1 .]" 1
1183 1 85 THR HA 1 86 ASN H 3.500 . 4.000 2.557 2.144 3.519 . 0 0 "[ . 1 .]" 1
1184 1 85 THR HA 1 86 ASN HB3 4.000 . 4.500 4.556 4.317 4.763 0.263 11 0 "[ . 1 .]" 1
1185 1 85 THR MG 1 86 ASN H 3.500 . 4.000 3.042 2.272 3.862 . 0 0 "[ . 1 .]" 1
1186 1 85 THR MG 1 87 CYS H 4.000 . 4.500 3.802 2.200 4.535 0.035 15 0 "[ . 1 .]" 1
1187 1 85 THR MG 1 87 CYS HA 4.000 . 4.500 3.649 3.056 4.370 . 0 0 "[ . 1 .]" 1
1188 1 85 THR HA 1 86 ASN HA 4.500 . 5.500 4.580 4.219 5.347 . 0 0 "[ . 1 .]" 1
1189 1 85 THR H 1 86 ASN H 4.500 . 5.500 3.931 2.144 4.634 . 0 0 "[ . 1 .]" 1
1190 1 86 ASN H 1 86 ASN HB3 3.500 . 4.000 2.909 2.420 3.761 . 0 0 "[ . 1 .]" 1
1191 1 86 ASN H 1 86 ASN HB2 3.500 . 4.000 3.256 2.499 3.750 . 0 0 "[ . 1 .]" 1
1192 1 86 ASN HB2 1 86 ASN HD22 3.500 . 4.000 3.734 3.464 4.048 0.048 6 0 "[ . 1 .]" 1
1193 1 86 ASN HB3 1 86 ASN HD21 3.500 . 4.000 2.544 2.204 3.478 . 0 0 "[ . 1 .]" 1
1194 1 86 ASN HB2 1 86 ASN HD21 3.500 . 4.000 2.794 2.191 3.470 . 0 0 "[ . 1 .]" 1
1195 1 86 ASN H 1 86 ASN HA 3.000 . 3.500 2.717 2.235 2.931 . 0 0 "[ . 1 .]" 1
1196 1 86 ASN HA 1 87 CYS HB3 5.000 . 6.000 5.209 4.121 5.836 . 0 0 "[ . 1 .]" 1
1197 1 86 ASN HB2 1 87 CYS H 4.000 . 4.500 4.082 2.754 4.620 0.120 11 0 "[ . 1 .]" 1
1198 1 86 ASN HA 1 87 CYS H 2.500 . 3.000 2.337 2.100 3.328 0.328 10 0 "[ . 1 .]" 1
1199 1 86 ASN HA 1 88 ASN H 3.500 . 4.000 3.609 3.196 4.045 0.045 8 0 "[ . 1 .]" 1
1200 1 87 CYS H 1 87 CYS HB3 4.000 . 4.500 3.231 2.230 3.851 . 0 0 "[ . 1 .]" 1
1201 1 87 CYS H 1 87 CYS HA 3.000 . 3.500 2.834 2.280 2.949 . 0 0 "[ . 1 .]" 1
1202 1 87 CYS HB3 1 88 ASN H 4.500 . 5.500 3.759 2.639 4.476 . 0 0 "[ . 1 .]" 1
1203 1 87 CYS HB2 1 88 ASN H 4.500 . 5.500 3.824 3.126 4.403 . 0 0 "[ . 1 .]" 1
1204 1 87 CYS HA 1 88 ASN H 3.500 . 4.000 3.307 2.553 3.546 . 0 0 "[ . 1 .]" 1
1205 1 87 CYS H 1 88 ASN H 3.000 . 3.500 2.560 1.788 3.522 0.022 8 0 "[ . 1 .]" 1
1206 1 87 CYS HA 1 90 ILE H 5.000 . 6.000 4.029 3.333 4.870 . 0 0 "[ . 1 .]" 1
1207 1 87 CYS HA 1 91 ASN H 5.000 . 6.000 5.639 1.974 6.126 0.126 9 0 "[ . 1 .]" 1
1208 1 45 ARG QD 1 88 ASN HA 3.000 . 3.500 3.226 2.487 3.737 0.237 4 0 "[ . 1 .]" 1
1209 1 88 ASN HA 1 88 ASN HD22 4.500 . 5.500 4.467 3.787 5.385 . 0 0 "[ . 1 .]" 1
1210 1 88 ASN H 1 88 ASN HD21 4.500 . 5.500 4.549 3.816 5.088 . 0 0 "[ . 1 .]" 1
1211 1 88 ASN QB 1 88 ASN HD22 3.500 . 4.000 3.261 3.213 3.311 . 0 0 "[ . 1 .]" 1
1212 1 88 ASN H 1 88 ASN HA 3.000 . 3.500 2.865 2.757 2.945 . 0 0 "[ . 1 .]" 1
1213 1 88 ASN QB 1 89 SER H 4.500 . 5.500 3.297 2.807 3.980 . 0 0 "[ . 1 .]" 1
1214 1 88 ASN HA 1 89 SER H 3.500 . 4.000 3.346 3.046 3.510 . 0 0 "[ . 1 .]" 1
1215 1 88 ASN H 1 89 SER H 3.000 . 3.500 2.526 1.764 2.854 0.036 8 0 "[ . 1 .]" 1
1216 1 88 ASN H 1 90 ILE H 4.500 . 5.500 4.535 3.124 5.564 0.064 10 0 "[ . 1 .]" 1
1217 1 45 ARG QG 1 89 SER HA 4.500 . 5.500 4.948 4.044 5.701 0.201 8 0 "[ . 1 .]" 1
1218 1 87 CYS HB2 1 89 SER H 5.000 . 6.000 5.371 4.863 6.034 0.034 8 0 "[ . 1 .]" 1
1219 1 89 SER H 1 89 SER HB3 3.500 . 4.000 3.411 2.528 3.917 . 0 0 "[ . 1 .]" 1
1220 1 89 SER H 1 89 SER HA 3.000 . 3.500 2.921 2.885 2.946 . 0 0 "[ . 1 .]" 1
1221 1 89 SER HB2 1 90 ILE MG 5.000 . 6.000 4.671 3.792 5.740 . 0 0 "[ . 1 .]" 1
1222 1 89 SER H 1 90 ILE QG 4.500 . 5.500 3.750 2.560 5.285 . 0 0 "[ . 1 .]" 1
1223 1 89 SER HB2 1 90 ILE H 4.500 . 5.500 3.403 1.787 4.540 0.013 14 0 "[ . 1 .]" 1
1224 1 89 SER HB3 1 90 ILE H 3.500 . 4.000 3.675 1.870 4.489 0.489 11 0 "[ . 1 .]" 1
1225 1 89 SER HA 1 90 ILE H 3.000 . 3.500 3.201 2.152 3.550 0.050 3 0 "[ . 1 .]" 1
1226 1 89 SER H 1 90 ILE H 3.000 . 3.500 2.507 1.841 3.483 . 0 0 "[ . 1 .]" 1
1227 1 47 VAL QG 1 90 ILE MD 4.000 . 4.500 3.500 2.334 4.069 . 0 0 "[ . 1 .]" 1
1228 1 79 TYR QD 1 90 ILE MG 4.500 . 5.500 3.170 1.873 4.513 . 0 0 "[ . 1 .]" 1
1229 1 79 TYR QE 1 90 ILE MG 4.000 . 4.500 4.124 3.367 4.583 0.083 13 0 "[ . 1 .]" 1
1230 1 85 THR MG 1 90 ILE MD 5.000 . 6.000 4.561 3.412 5.511 . 0 0 "[ . 1 .]" 1
1231 1 90 ILE HA 1 90 ILE MD 4.500 . 5.500 4.061 2.397 4.208 . 0 0 "[ . 1 .]" 1
1232 1 90 ILE H 1 90 ILE MD 4.500 . 5.500 4.136 3.622 4.813 . 0 0 "[ . 1 .]" 1
1233 1 90 ILE H 1 90 ILE QG 4.000 . 4.500 2.723 1.951 3.805 . 0 0 "[ . 1 .]" 1
1234 1 90 ILE H 1 90 ILE MG 4.000 . 4.500 2.435 1.789 2.999 0.011 8 0 "[ . 1 .]" 1
1235 1 90 ILE HA 1 90 ILE MG 3.500 . 4.000 2.392 2.161 3.171 . 0 0 "[ . 1 .]" 1
1236 1 90 ILE HB 1 90 ILE MD 3.500 . 4.000 2.414 2.344 2.568 . 0 0 "[ . 1 .]" 1
1237 1 90 ILE H 1 90 ILE HB 3.500 . 4.000 3.780 3.068 3.990 . 0 0 "[ . 1 .]" 1
1238 1 90 ILE MD 1 90 ILE MG 3.500 . 4.000 2.016 1.880 3.232 . 0 0 "[ . 1 .]" 1
1239 1 90 ILE H 1 90 ILE HA 3.000 . 3.500 2.599 2.231 2.944 . 0 0 "[ . 1 .]" 1
1240 1 90 ILE QG 1 91 ASN H 4.500 . 5.500 2.338 1.656 3.801 0.144 14 0 "[ . 1 .]" 1
1241 1 90 ILE HA 1 91 ASN H 3.500 . 4.000 3.150 2.063 3.581 . 0 0 "[ . 1 .]" 1
1242 1 90 ILE HB 1 91 ASN H 3.500 . 4.000 2.869 1.713 4.012 0.087 6 0 "[ . 1 .]" 1
1243 1 90 ILE MG 1 91 ASN H 3.500 . 4.000 3.572 1.696 4.055 0.104 8 0 "[ . 1 .]" 1
1244 1 90 ILE QG 1 91 ASN HA 3.000 . 3.500 3.428 3.053 3.583 0.083 12 0 "[ . 1 .]" 1
1245 1 89 SER H 1 91 ASN H 5.000 . 6.000 5.327 3.925 6.179 0.179 15 0 "[ . 1 .]" 1
1246 1 90 ILE H 1 91 ASN H 4.500 . 5.500 3.471 1.872 4.608 . 0 0 "[ . 1 .]" 1
1247 1 90 ILE QG 1 91 ASN HB3 4.500 . 5.500 4.608 2.939 5.747 0.247 9 0 "[ . 1 .]" 1
1248 1 91 ASN H 1 91 ASN HB3 4.000 . 4.500 3.440 2.620 4.127 . 0 0 "[ . 1 .]" 1
1249 1 91 ASN H 1 91 ASN HB2 4.000 . 4.500 3.412 2.808 4.070 . 0 0 "[ . 1 .]" 1
1250 1 91 ASN H 1 91 ASN HA 3.000 . 3.500 2.633 2.231 2.931 . 0 0 "[ . 1 .]" 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 4
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 13 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 27 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 28 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 48 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 50 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 73 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 87 CYS 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 CYS SG 1 50 CYS SG 2.000 . 2.500 2.032 2.029 2.038 . 0 0 "[ . 1 .]" 2
2 1 13 CYS SG 1 27 CYS SG 2.000 . 2.500 2.024 2.015 2.031 . 0 0 "[ . 1 .]" 2
3 1 28 CYS SG 1 73 CYS SG 2.000 . 2.500 2.032 2.027 2.038 . 0 0 "[ . 1 .]" 2
4 1 48 CYS SG 1 87 CYS SG 2.000 . 2.500 2.031 2.025 2.037 . 0 0 "[ . 1 .]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 58
_Distance_constraint_stats_list.Viol_count 817
_Distance_constraint_stats_list.Viol_total 16073.249
_Distance_constraint_stats_list.Viol_max 4.321
_Distance_constraint_stats_list.Viol_rms 0.8040
_Distance_constraint_stats_list.Viol_average_all_restraints 1.2317
_Distance_constraint_stats_list.Viol_average_violations_only 1.3116
_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 2 THR 16.498 2.113 11 4 "[ -* . *1+ .]"
1 4 GLY 47.413 2.189 14 15 [*********-***+*]
1 5 GLN 61.133 2.702 2 15 [*+*******-*****]
1 6 VAL 28.258 1.630 2 14 "[ +*****-*******]"
1 7 GLN 16.498 2.113 11 4 "[ -* . *1+ .]"
1 8 GLY 52.715 2.624 8 15 [*******+***-***]
1 9 ASN 92.527 2.297 5 15 [****+*-********]
1 10 LEU 61.133 2.702 2 15 [*+*******-*****]
1 11 ALA 125.999 3.780 7 15 [******+-*******]
1 12 GLN 71.435 3.072 6 15 [-****+*********]
1 13 CYS 52.715 2.624 8 15 [*******+***-***]
1 14 ILE 45.115 2.297 5 15 [****+*-********]
1 16 PHE 97.740 3.780 7 15 [******+****-***]
1 17 LEU 71.435 3.072 6 15 [-****+*********]
1 23 VAL 38.345 1.499 13 15 [********-***+**]
1 25 PRO 34.821 2.236 13 15 [*********-**+**]
1 26 SER 31.579 1.515 13 15 [-***********+**]
1 27 CYS 22.317 1.233 2 15 [*+******-******]
1 28 CYS 44.922 1.499 13 15 [************+-*]
1 29 THR 6.984 1.077 10 1 "[ . + .]"
1 30 GLY 34.821 2.236 13 15 [*********-**+**]
1 31 VAL 31.579 1.515 13 15 [-***********+**]
1 32 LYS 22.317 1.233 2 15 [*+******-******]
1 33 ASN 6.577 0.759 10 4 "[ * . + * -.]"
1 34 ILE 6.984 1.077 10 1 "[ . + .]"
1 40 THR 25.441 1.345 11 15 [*********-+****]
1 41 THR 14.367 1.243 8 11 "[ ***.**+*1***-.]"
1 42 ALA 30.127 1.817 2 14 "[ +************-]"
1 43 ASP 29.653 2.283 5 15 [*-**+**********]
1 44 ARG 54.497 4.321 8 15 [*-*****+*******]
1 45 ARG 78.965 3.590 8 15 [*******+*-*****]
1 46 ALA 37.702 1.595 5 15 [****+********-*]
1 47 VAL 57.691 1.817 2 15 [*+************-]
1 48 CYS 66.625 2.283 5 15 [*-**+**********]
1 49 SER 54.497 4.321 8 15 [*-*****+*******]
1 50 CYS 53.524 3.590 8 15 [*-*****+*******]
1 51 LEU 23.335 1.595 5 14 "[****+*****- ***]"
1 52 LYS 27.564 1.349 1 15 [+*****-********]
1 53 ALA 36.972 2.068 10 15 [******-**+*****]
1 61 ILE 60.635 3.448 1 12 "[+ * * *******-*]"
1 63 PRO 33.121 1.763 8 15 [***-***+*******]
1 64 ASN 40.439 1.963 3 15 [**+**********-*]
1 66 ALA 98.524 3.448 1 15 [+**-***********]
1 67 GLU 33.880 1.901 6 15 [*****+********-]
1 68 ALA 42.297 1.763 8 15 [***-***+*******]
1 69 LEU 40.439 1.963 3 15 [**+**********-*]
1 71 GLY 37.889 2.024 6 15 [***-*+*********]
1 72 LYS 33.880 1.901 6 15 [*****+********-]
1 73 CYS 9.175 1.276 15 3 "[ . 1 -*+]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 THR O 1 7 GLN N 2.700 2.200 5.000 5.635 4.785 7.113 2.113 11 4 "[ -* . *1+ .]" 3
2 1 2 THR O 1 7 GLN H 2.000 . 4.500 4.777 4.081 6.165 1.665 9 4 "[ -* . +1* .]" 3
3 1 4 GLY O 1 9 ASN N 2.700 2.200 4.000 5.659 5.106 6.189 2.189 14 15 [*********-***+*] 3
4 1 4 GLY O 1 9 ASN H 2.000 . 3.500 5.002 4.428 5.510 2.010 14 15 [*********-***+*] 3
5 1 5 GLN O 1 10 LEU N 2.700 2.200 4.000 6.149 5.283 6.702 2.702 2 15 [*+*******-*****] 3
6 1 5 GLN O 1 10 LEU H 2.000 . 3.500 5.427 4.530 5.976 2.476 2 15 [*+*******-*****] 3
7 1 6 VAL O 1 11 ALA N 2.700 2.200 4.000 5.116 4.494 5.630 1.630 2 14 "[ +*****-*******]" 3
8 1 6 VAL O 1 11 ALA H 2.000 . 3.500 4.268 3.649 4.731 1.231 3 12 "[ *+**** -1*****]" 3
9 1 8 GLY O 1 13 CYS N 2.700 2.200 4.000 5.860 5.360 6.624 2.624 8 15 [*****-*+*******] 3
10 1 8 GLY O 1 13 CYS H 2.000 . 3.500 5.154 4.607 5.869 2.369 8 15 [*******+***-***] 3
11 1 9 ASN O 1 14 ILE N 2.700 2.200 4.000 5.580 4.830 6.297 2.297 5 15 [****+*-********] 3
12 1 9 ASN O 1 14 ILE H 2.000 . 3.500 4.927 4.163 5.726 2.226 5 15 [****+*-********] 3
13 1 11 ALA O 1 16 PHE N 2.700 2.200 4.000 7.333 6.851 7.780 3.780 7 15 [-*****+********] 3
14 1 11 ALA O 1 16 PHE H 2.000 . 3.500 6.683 6.083 7.184 3.684 7 15 [******+****-***] 3
15 1 12 GLN O 1 17 LEU N 2.700 2.200 4.000 6.611 6.300 7.072 3.072 6 15 [-****+*********] 3
16 1 12 GLN O 1 17 LEU H 2.000 . 3.500 5.651 5.348 6.112 2.612 6 15 [-****+*********] 3
17 1 23 VAL O 1 28 CYS N 2.700 2.200 5.000 6.350 6.185 6.499 1.499 13 15 [********-***+**] 3
18 1 23 VAL O 1 28 CYS H 2.000 . 4.300 5.507 5.342 5.654 1.354 10 15 [********-+*****] 3
19 1 25 PRO O 1 30 GLY N 2.700 2.200 4.000 5.239 4.965 6.236 2.236 13 15 [*********-**+**] 3
20 1 25 PRO O 1 30 GLY H 2.000 . 3.500 4.583 4.315 5.651 2.151 13 15 [*********-**+**] 3
21 1 26 SER O 1 31 VAL N 2.700 2.200 4.000 5.180 4.655 5.515 1.515 13 15 [*********-**+**] 3
22 1 26 SER O 1 31 VAL H 2.000 . 3.500 4.425 3.947 4.730 1.230 13 14 [-********1**+**] 3
23 1 27 CYS O 1 32 LYS N 2.700 2.200 4.000 4.874 4.577 5.233 1.233 2 15 [*+*******-*****] 3
24 1 27 CYS O 1 32 LYS H 2.000 . 3.500 4.114 3.810 4.484 0.984 2 14 [*+******-1*****] 3
25 1 28 CYS O 1 33 ASN N 4.000 . 4.500 4.925 4.543 5.259 0.759 10 4 "[ * . + * -.]" 3
26 1 28 CYS O 1 33 ASN H 3.500 . 4.500 4.221 3.796 4.696 0.196 10 0 "[ . 1 .]" 3
27 1 29 THR O 1 34 ILE N 3.400 . 5.000 5.278 4.960 6.077 1.077 10 1 "[ . + .]" 3
28 1 29 THR O 1 34 ILE H 2.700 . 4.500 4.661 4.339 5.415 0.915 10 1 "[ . + .]" 3
29 1 40 THR O 1 45 ARG N 2.700 2.200 4.000 4.949 4.651 5.345 1.345 11 15 [**********+-***] 3
30 1 40 THR O 1 45 ARG H 2.000 . 3.500 4.247 3.882 4.717 1.217 11 12 "[****.****-+ **.]" 3
31 1 41 THR O 1 46 ALA N 2.700 2.200 4.000 4.483 3.489 4.823 0.823 4 11 "[ **+.****1*-**.]" 3
32 1 41 THR O 1 46 ALA H 2.000 . 3.500 3.821 2.682 4.743 1.243 8 4 "[ *. + 1* -.]" 3
33 1 42 ALA O 1 47 VAL N 2.700 2.200 4.000 5.058 3.701 5.817 1.817 2 13 "[ +**********-*.]" 3
34 1 42 ALA O 1 47 VAL H 2.000 . 3.500 4.399 3.027 5.028 1.528 2 12 "[ +********* *-]" 3
35 1 43 ASP O 1 48 CYS N 2.700 2.200 4.000 5.061 4.530 6.283 2.283 5 15 [*-**+**********] 3
36 1 43 ASP O 1 48 CYS H 2.000 . 3.500 4.416 3.809 5.703 2.203 5 12 "[* *+* ******-*]" 3
37 1 44 ARG O 1 49 SER N 2.700 2.200 3.000 5.447 4.726 7.321 4.321 8 15 [*****-*+*******] 3
38 1 44 ARG O 1 49 SER H 2.000 . 3.500 4.687 3.964 6.427 2.927 8 14 "[*-*** *+*******]" 3
39 1 45 ARG O 1 50 CYS N 2.700 2.200 4.000 5.890 4.946 7.590 3.590 8 15 [*-*****+*******] 3
40 1 45 ARG O 1 50 CYS H 2.000 . 3.500 5.178 4.266 6.789 3.289 8 15 [*-*****+*******] 3
41 1 46 ALA O 1 51 LEU N 2.700 2.200 4.000 4.926 4.482 5.595 1.595 5 14 "[*-**+****** ***]" 3
42 1 46 ALA O 1 51 LEU H 2.000 . 3.500 4.130 3.734 4.796 1.296 5 10 "[* **+ ***- **]" 3
43 1 47 VAL O 1 52 LYS N 2.700 2.200 4.000 4.984 4.705 5.349 1.349 1 15 [+************-*] 3
44 1 47 VAL O 1 52 LYS H 2.000 . 3.500 4.354 4.000 4.763 1.263 2 14 "[*+****-****** *]" 3
45 1 48 CYS O 1 53 ALA N 2.700 2.200 4.000 5.326 4.653 6.068 2.068 10 15 [***-*****+*****] 3
46 1 48 CYS O 1 53 ALA H 2.000 . 3.500 4.638 3.918 5.439 1.939 10 14 "[*** **-**+*****]" 3
47 1 61 ILE O 1 66 ALA N 3.400 2.900 5.000 6.957 3.496 8.448 3.448 1 12 "[+ * * *******-*]" 3
48 1 61 ILE O 1 66 ALA H 2.700 2.200 4.500 6.266 3.011 7.762 3.262 1 12 "[+ * * *******-*]" 3
49 1 63 PRO O 1 68 ALA N 2.700 2.200 4.000 5.230 4.533 5.763 1.763 8 15 [***-***+*******] 3
50 1 63 PRO O 1 68 ALA H 2.000 . 3.500 4.478 3.763 5.102 1.602 8 12 "[* * ** +*-*****]" 3
51 1 64 ASN O 1 69 LEU N 2.700 2.200 4.000 5.404 4.756 5.963 1.963 3 15 [**+**********-*] 3
52 1 64 ASN O 1 69 LEU H 2.000 . 3.500 4.792 4.127 5.258 1.758 9 15 [********+****-*] 3
53 1 66 ALA O 1 71 GLY N 3.400 . 5.000 6.434 6.260 7.024 2.024 6 15 [***-*+*********] 3
54 1 66 ALA O 1 71 GLY H 2.700 . 4.500 5.592 5.418 6.155 1.655 6 15 [***-*+*********] 3
55 1 67 GLU O 1 72 LYS N 3.400 . 5.000 6.212 5.557 6.901 1.901 6 15 [*****+********-] 3
56 1 67 GLU O 1 72 LYS H 2.700 . 4.500 5.546 5.109 6.193 1.693 6 15 [-****+*********] 3
57 1 68 ALA O 1 73 CYS N 3.400 . 5.000 5.345 4.863 6.276 1.276 15 3 "[ . 1 -*+]" 3
58 1 68 ALA O 1 73 CYS H 2.700 . 4.500 4.638 4.069 5.719 1.219 14 3 "[ . 1 -+*]" 3
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