NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
385054 |
1kul   |
4011 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kul
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 1055
_Distance_constraint_stats_list.Viol_count 1422
_Distance_constraint_stats_list.Viol_total 925.485
_Distance_constraint_stats_list.Viol_max 0.607
_Distance_constraint_stats_list.Viol_rms 0.0809
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0351
_Distance_constraint_stats_list.Viol_average_violations_only 0.1302
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 THR 0.129 0.061 4 0 "[ .]"
1 3 THR 1.287 0.352 1 0 "[ .]"
1 4 PRO 0.267 0.164 3 0 "[ .]"
1 5 THR 1.368 0.380 3 0 "[ .]"
1 6 ALA 2.177 0.380 3 0 "[ .]"
1 7 VAL 4.838 0.434 1 0 "[ .]"
1 8 ALA 0.765 0.182 1 0 "[ .]"
1 9 VAL 4.090 0.256 2 0 "[ .]"
1 10 THR 2.002 0.304 3 0 "[ .]"
1 11 PHE 8.293 0.475 5 0 "[ .]"
1 12 ASP 3.389 0.310 3 0 "[ .]"
1 13 LEU 9.024 0.389 2 0 "[ .]"
1 14 THR 1.891 0.370 1 0 "[ .]"
1 15 ALA 4.550 0.385 1 0 "[ .]"
1 16 THR 4.455 0.313 1 0 "[ .]"
1 17 THR 3.578 0.350 5 0 "[ .]"
1 18 THR 0.311 0.169 1 0 "[ .]"
1 19 TYR 1.279 0.169 1 0 "[ .]"
1 20 GLY 0.543 0.101 1 0 "[ .]"
1 21 GLU 0.306 0.092 2 0 "[ .]"
1 22 ASN 4.159 0.383 5 0 "[ .]"
1 23 ILE 4.637 0.271 3 0 "[ .]"
1 24 TYR 12.795 0.421 3 0 "[ .]"
1 25 LEU 1.616 0.159 3 0 "[ .]"
1 26 VAL 10.220 0.480 5 0 "[ .]"
1 27 GLY 2.617 0.358 3 0 "[ .]"
1 28 SER 0.796 0.185 1 0 "[ .]"
1 29 ILE 0.990 0.101 5 0 "[ .]"
1 30 SER 1.208 0.253 2 0 "[ .]"
1 31 GLN 1.842 0.291 2 0 "[ .]"
1 32 LEU 8.117 0.547 4 2 "[- +.]"
1 33 GLY 2.652 0.292 4 0 "[ .]"
1 34 ASP 2.850 0.401 4 0 "[ .]"
1 35 TRP 11.277 0.547 4 2 "[- +.]"
1 36 GLU 2.312 0.347 2 0 "[ .]"
1 37 THR 3.761 0.439 2 0 "[ .]"
1 38 SER 1.296 0.287 2 0 "[ .]"
1 39 ASP 2.579 0.287 2 0 "[ .]"
1 40 GLY 2.036 0.248 1 0 "[ .]"
1 41 ILE 1.869 0.336 3 0 "[ .]"
1 42 ALA 2.367 0.233 3 0 "[ .]"
1 43 LEU 7.615 0.421 3 0 "[ .]"
1 44 SER 6.551 0.467 5 0 "[ .]"
1 45 ALA 3.125 0.281 5 0 "[ .]"
1 46 ASP 3.921 0.507 5 1 "[ +]"
1 47 LYS 0.535 0.092 2 0 "[ .]"
1 48 TYR 13.252 0.469 3 0 "[ .]"
1 49 THR 0.859 0.165 4 0 "[ .]"
1 50 SER 0.000 0.000 . 0 "[ .]"
1 51 SER 0.268 0.063 3 0 "[ .]"
1 52 ASP 0.268 0.063 3 0 "[ .]"
1 53 PRO 5.988 0.370 1 0 "[ .]"
1 54 LEU 3.888 0.243 2 0 "[ .]"
1 55 TRP 15.115 0.469 3 0 "[ .]"
1 56 TYR 7.941 0.507 5 1 "[ +]"
1 57 VAL 11.432 0.475 5 0 "[ .]"
1 58 THR 3.619 0.390 4 0 "[ .]"
1 59 VAL 5.445 0.390 4 0 "[ .]"
1 60 THR 2.569 0.256 2 0 "[ .]"
1 61 LEU 3.668 0.339 5 0 "[ .]"
1 62 PRO 1.596 0.231 3 0 "[ .]"
1 63 ALA 1.136 0.231 3 0 "[ .]"
1 64 GLY 0.975 0.182 1 0 "[ .]"
1 65 GLU 2.447 0.268 3 0 "[ .]"
1 66 SER 0.016 0.016 1 0 "[ .]"
1 67 PHE 3.935 0.236 5 0 "[ .]"
1 68 GLU 1.105 0.158 3 0 "[ .]"
1 69 TYR 4.359 0.339 5 0 "[ .]"
1 70 LYS 0.673 0.106 5 0 "[ .]"
1 71 PHE 1.969 0.260 1 0 "[ .]"
1 72 ILE 9.506 0.436 5 0 "[ .]"
1 73 ARG 0.856 0.210 2 0 "[ .]"
1 74 ILE 6.024 0.340 2 0 "[ .]"
1 75 GLU 1.135 0.200 1 0 "[ .]"
1 76 SER 1.384 0.281 2 0 "[ .]"
1 77 ASP 1.631 0.281 2 0 "[ .]"
1 78 ASP 2.176 0.340 2 0 "[ .]"
1 79 SER 1.766 0.200 1 0 "[ .]"
1 80 VAL 7.627 0.367 3 0 "[ .]"
1 81 GLU 4.722 0.478 1 0 "[ .]"
1 82 TRP 15.344 0.607 3 1 "[ + .]"
1 83 GLU 5.293 0.383 5 0 "[ .]"
1 84 SER 0.375 0.141 3 0 "[ .]"
1 85 ASP 4.276 0.366 1 0 "[ .]"
1 86 PRO 1.438 0.294 2 0 "[ .]"
1 87 ASN 4.005 0.366 1 0 "[ .]"
1 88 ARG 0.395 0.105 1 0 "[ .]"
1 89 GLU 0.533 0.091 4 0 "[ .]"
1 90 TYR 5.948 0.300 1 0 "[ .]"
1 91 THR 0.891 0.178 1 0 "[ .]"
1 92 VAL 8.122 0.434 1 0 "[ .]"
1 93 PRO 0.902 0.126 3 0 "[ .]"
1 94 GLN 0.109 0.064 2 0 "[ .]"
1 95 ALA 0.136 0.051 4 0 "[ .]"
1 97 GLY 0.022 0.016 1 0 "[ .]"
1 98 THR 0.000 0.000 . 0 "[ .]"
1 99 SER 0.063 0.053 4 0 "[ .]"
1 100 THR 0.298 0.144 1 0 "[ .]"
1 101 ALA 1.739 0.217 1 0 "[ .]"
1 102 THR 1.423 0.246 2 0 "[ .]"
1 103 VAL 0.635 0.164 3 0 "[ .]"
1 104 THR 1.051 0.166 4 0 "[ .]"
1 105 ASP 1.779 0.260 1 0 "[ .]"
1 106 THR 1.999 0.317 1 0 "[ .]"
1 107 TRP 7.525 0.337 3 0 "[ .]"
1 108 ARG 0.352 0.098 3 0 "[ .]"
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 11 PHE HA 1 11 PHE QD 2.700 . 3.100 2.506 2.014 2.760 . 0 0 "[ .]" 1
2 1 11 PHE HB3 1 11 PHE QD 2.400 . 2.700 2.552 2.443 2.772 0.072 3 0 "[ .]" 1
3 1 11 PHE HB2 1 11 PHE QD 2.400 . 2.700 2.359 2.325 2.413 . 0 0 "[ .]" 1
4 1 11 PHE HB2 1 11 PHE QE 4.000 . 4.700 4.432 4.418 4.452 . 0 0 "[ .]" 1
5 1 11 PHE H 1 11 PHE HB3 3.000 . 3.500 3.691 3.611 3.742 0.242 2 0 "[ .]" 1
6 1 11 PHE H 1 11 PHE HB2 3.500 . 4.100 2.647 2.575 2.706 . 0 0 "[ .]" 1
7 1 13 LEU H 1 13 LEU HB3 3.000 . 3.500 3.442 3.329 3.514 0.014 5 0 "[ .]" 1
8 1 13 LEU H 1 13 LEU HB2 3.500 . 4.100 2.337 2.232 2.401 . 0 0 "[ .]" 1
9 1 19 TYR HA 1 19 TYR HB2 2.400 . 2.700 2.647 2.540 2.699 . 0 0 "[ .]" 1
10 1 19 TYR HA 1 19 TYR HB3 2.700 . 3.100 2.989 2.972 3.030 . 0 0 "[ .]" 1
11 1 19 TYR HA 1 19 TYR QD 2.400 . 2.700 2.355 1.833 2.655 0.067 2 0 "[ .]" 1
12 1 19 TYR HB2 1 19 TYR QD 2.400 . 2.700 2.456 2.353 2.547 . 0 0 "[ .]" 1
13 1 19 TYR HB3 1 19 TYR QD 2.400 . 2.700 2.585 2.323 2.766 0.066 4 0 "[ .]" 1
14 1 19 TYR H 1 19 TYR QB 2.400 . 2.700 2.265 2.227 2.333 . 0 0 "[ .]" 1
15 1 22 ASN HA 1 22 ASN HB2 3.000 . 3.500 2.740 2.735 2.747 . 0 0 "[ .]" 1
16 1 22 ASN HA 1 22 ASN HB3 2.700 . 3.100 2.971 2.965 2.980 . 0 0 "[ .]" 1
17 1 22 ASN H 1 22 ASN HB2 3.000 . 3.500 2.992 2.949 3.022 . 0 0 "[ .]" 1
18 1 22 ASN H 1 22 ASN HB3 3.500 . 4.100 3.178 3.151 3.218 . 0 0 "[ .]" 1
19 1 24 TYR HA 1 24 TYR QB 4.000 . 4.700 2.414 2.407 2.422 . 0 0 "[ .]" 1
20 1 24 TYR HA 1 24 TYR QD 2.400 . 2.700 2.932 2.887 3.015 0.315 3 0 "[ .]" 1
21 1 24 TYR HB3 1 24 TYR QD 2.400 . 2.700 2.300 2.282 2.309 . 0 0 "[ .]" 1
22 1 24 TYR HB2 1 24 TYR QD 2.400 . 2.700 2.672 2.580 2.720 0.020 5 0 "[ .]" 1
23 1 24 TYR H 1 24 TYR HB3 3.000 . 3.500 3.631 3.606 3.651 0.151 1 0 "[ .]" 1
24 1 24 TYR H 1 24 TYR HB2 3.000 . 3.500 2.388 2.338 2.419 . 0 0 "[ .]" 1
25 1 31 GLN HA 1 31 GLN HB3 3.000 . 3.500 2.593 2.389 2.665 . 0 0 "[ .]" 1
26 1 31 GLN HA 1 31 GLN HB2 2.400 . 2.700 2.959 2.946 2.991 0.291 2 0 "[ .]" 1
27 1 31 GLN QE 1 31 GLN QG 3.000 . 3.500 2.530 2.199 2.754 . 0 0 "[ .]" 1
28 1 31 GLN H 1 31 GLN HB3 3.000 . 3.500 3.578 3.551 3.607 0.107 4 0 "[ .]" 1
29 1 31 GLN H 1 31 GLN HB2 3.500 . 4.100 2.376 2.236 2.695 . 0 0 "[ .]" 1
30 1 32 LEU HA 1 32 LEU HB3 2.700 . 3.100 2.564 2.500 2.636 . 0 0 "[ .]" 1
31 1 32 LEU HA 1 32 LEU HB2 2.700 . 3.100 3.046 3.021 3.062 . 0 0 "[ .]" 1
32 1 32 LEU H 1 32 LEU HB2 4.000 . 4.700 2.429 2.360 2.579 . 0 0 "[ .]" 1
33 1 32 LEU H 1 32 LEU HB3 3.500 . 4.100 3.639 3.579 3.731 . 0 0 "[ .]" 1
34 1 35 TRP QB 1 35 TRP HD1 2.400 . 2.700 2.514 2.507 2.524 . 0 0 "[ .]" 1
35 1 35 TRP HA 1 35 TRP HE3 2.400 . 2.700 1.834 1.804 1.856 0.096 1 0 "[ .]" 1
36 1 35 TRP QB 1 35 TRP HE3 3.500 . 653.500 3.079 3.062 3.096 . 0 0 "[ .]" 1
37 1 38 SER HA 1 38 SER HB3 2.400 . 2.700 2.307 2.306 2.309 . 0 0 "[ .]" 1
38 1 38 SER HA 1 38 SER HB2 2.400 . 2.700 2.671 2.670 2.672 . 0 0 "[ .]" 1
39 1 38 SER H 1 38 SER HB3 2.700 . 3.100 3.057 3.052 3.060 . 0 0 "[ .]" 1
40 1 38 SER H 1 38 SER HB2 3.500 . 4.100 3.420 3.418 3.420 . 0 0 "[ .]" 1
41 1 43 LEU H 1 43 LEU HB2 4.000 . 4.700 2.423 2.382 2.481 . 0 0 "[ .]" 1
42 1 43 LEU H 1 43 LEU HB3 3.000 . 3.500 3.650 3.627 3.686 0.186 3 0 "[ .]" 1
43 1 44 SER HA 1 44 SER HB2 3.000 . 3.500 2.340 2.195 2.470 . 0 0 "[ .]" 1
44 1 44 SER HA 1 44 SER HB3 2.400 . 2.700 2.963 2.922 2.983 0.283 1 0 "[ .]" 1
45 1 44 SER H 1 44 SER HB2 2.700 . 3.100 3.273 3.111 3.460 0.360 2 0 "[ .]" 1
46 1 44 SER H 1 44 SER HB3 3.000 . 3.500 2.683 2.494 2.879 . 0 0 "[ .]" 1
47 1 46 ASP HA 1 46 ASP HB3 2.400 . 2.700 2.597 2.356 2.664 . 0 0 "[ .]" 1
48 1 46 ASP HA 1 46 ASP HB2 2.400 . 2.700 2.344 2.284 2.563 . 0 0 "[ .]" 1
49 1 46 ASP H 1 46 ASP HB3 2.700 . 3.100 2.255 2.107 2.771 . 0 0 "[ .]" 1
50 1 46 ASP H 1 46 ASP HB2 3.000 . 3.500 3.460 3.431 3.518 0.018 2 0 "[ .]" 1
51 1 48 TYR H 1 48 TYR QD 3.500 . 4.100 4.198 4.146 4.245 0.145 3 0 "[ .]" 1
52 1 51 SER HA 1 51 SER QB 3.500 . 4.100 2.449 2.279 2.544 . 0 0 "[ .]" 1
53 1 51 SER H 1 51 SER QB 3.500 . 4.100 2.286 2.079 2.672 . 0 0 "[ .]" 1
54 1 55 TRP HA 1 55 TRP HB2 2.400 . 2.700 2.972 2.957 2.987 0.287 3 0 "[ .]" 1
55 1 55 TRP HB3 1 55 TRP HD1 3.500 . 4.100 3.977 3.970 3.980 . 0 0 "[ .]" 1
56 1 55 TRP HB2 1 55 TRP HD1 3.000 . 3.500 3.019 2.990 3.057 . 0 0 "[ .]" 1
57 1 55 TRP HA 1 55 TRP HE3 5.000 . 5.800 3.668 3.572 3.813 . 0 0 "[ .]" 1
58 1 55 TRP HB3 1 55 TRP HE3 3.500 . 4.100 2.179 2.137 2.202 . 0 0 "[ .]" 1
59 1 55 TRP HB2 1 55 TRP HE3 3.000 . 3.500 3.710 3.635 3.742 0.242 1 0 "[ .]" 1
60 1 55 TRP H 1 55 TRP QB 4.000 . 4.700 2.313 2.293 2.342 . 0 0 "[ .]" 1
61 1 67 PHE HA 1 67 PHE QD 2.700 . 3.100 2.849 2.797 2.941 . 0 0 "[ .]" 1
62 1 67 PHE QB 1 67 PHE QD 2.400 . 2.700 2.159 2.149 2.173 . 0 0 "[ .]" 1
63 1 69 TYR HA 1 69 TYR QD 3.000 . 3.500 2.994 1.822 3.480 0.078 1 0 "[ .]" 1
64 1 69 TYR QB 1 69 TYR QD 2.400 . 2.700 2.261 2.144 2.374 . 0 0 "[ .]" 1
65 1 71 PHE HB3 1 71 PHE QD 3.000 . 3.500 2.388 2.327 2.505 . 0 0 "[ .]" 1
66 1 71 PHE HB2 1 71 PHE QD 2.700 . 3.100 2.463 2.354 2.538 . 0 0 "[ .]" 1
67 1 78 ASP HA 1 78 ASP HB3 2.700 . 3.100 2.424 2.361 2.513 . 0 0 "[ .]" 1
68 1 78 ASP HA 1 78 ASP HB2 2.700 . 3.100 2.512 2.417 2.587 . 0 0 "[ .]" 1
69 1 78 ASP H 1 78 ASP HB2 4.000 . 4.700 3.620 3.585 3.650 . 0 0 "[ .]" 1
70 1 82 TRP HA 1 82 TRP HD1 3.500 . 4.100 3.195 3.145 3.296 . 0 0 "[ .]" 1
71 1 82 TRP HB2 1 82 TRP HD1 3.500 . 4.100 3.080 2.859 3.881 . 0 0 "[ .]" 1
72 1 82 TRP HA 1 82 TRP HE3 3.500 . 4.100 4.129 3.956 4.707 0.607 3 1 "[ + .]" 1
73 1 82 TRP HB3 1 82 TRP HE3 3.000 . 3.500 2.507 2.405 2.853 . 0 0 "[ .]" 1
74 1 82 TRP HB2 1 82 TRP HE3 3.500 . 4.100 3.527 2.107 3.919 . 0 0 "[ .]" 1
75 1 82 TRP H 1 82 TRP HB3 2.700 . 3.100 3.460 3.440 3.523 0.423 3 0 "[ .]" 1
76 1 82 TRP H 1 82 TRP HB2 3.000 . 3.500 2.468 2.315 3.021 . 0 0 "[ .]" 1
77 1 83 GLU HA 1 83 GLU HB3 3.000 . 3.500 2.402 2.354 2.453 . 0 0 "[ .]" 1
78 1 83 GLU HA 1 83 GLU HB2 3.000 . 3.500 2.590 2.520 2.634 . 0 0 "[ .]" 1
79 1 83 GLU H 1 83 GLU HB2 3.000 . 3.500 3.629 3.589 3.668 0.168 3 0 "[ .]" 1
80 1 83 GLU H 1 83 GLU HB3 3.500 3.000 4.000 2.718 2.617 2.794 0.383 5 0 "[ .]" 1
81 1 85 ASP HA 1 85 ASP HB2 3.000 . 3.500 2.976 2.968 2.982 . 0 0 "[ .]" 1
82 1 85 ASP H 1 85 ASP HB3 3.000 . 3.500 3.555 3.552 3.558 0.058 3 0 "[ .]" 1
83 1 85 ASP H 1 85 ASP HB2 2.700 . 3.100 2.305 2.297 2.312 . 0 0 "[ .]" 1
84 1 88 ARG HA 1 88 ARG HB2 3.000 . 3.500 3.011 2.988 3.035 . 0 0 "[ .]" 1
85 1 88 ARG H 1 88 ARG HB3 3.500 . 4.100 3.677 3.522 3.852 . 0 0 "[ .]" 1
86 1 88 ARG H 1 88 ARG HB2 4.000 . 4.700 2.487 2.221 2.844 . 0 0 "[ .]" 1
87 1 90 TYR HA 1 90 TYR HB3 2.400 . 2.700 2.996 2.993 3.000 0.300 1 0 "[ .]" 1
88 1 90 TYR HA 1 90 TYR QD 2.400 . 2.700 2.370 2.039 2.601 . 0 0 "[ .]" 1
89 1 90 TYR HB3 1 90 TYR QD 2.400 . 2.700 2.298 2.284 2.319 . 0 0 "[ .]" 1
90 1 90 TYR HB2 1 90 TYR QD 2.400 . 2.700 2.619 2.548 2.713 0.013 5 0 "[ .]" 1
91 1 90 TYR HB2 1 90 TYR QE 4.000 . 4.700 4.516 4.495 4.537 . 0 0 "[ .]" 1
92 1 90 TYR HA 1 90 TYR QE 4.000 . 4.700 4.326 4.207 4.429 . 0 0 "[ .]" 1
93 1 90 TYR H 1 90 TYR HB2 3.500 . 4.100 3.353 3.197 3.449 . 0 0 "[ .]" 1
94 1 90 TYR H 1 90 TYR HB3 3.500 3.000 4.000 2.916 2.834 2.984 0.166 1 0 "[ .]" 1
95 1 107 TRP HA 1 107 TRP HD1 3.500 . 4.100 4.132 4.073 4.190 0.090 4 0 "[ .]" 1
96 1 107 TRP HB3 1 107 TRP HD1 3.000 . 3.500 2.751 2.700 2.787 . 0 0 "[ .]" 1
97 1 107 TRP HA 1 107 TRP HE3 3.000 . 3.500 3.393 3.222 3.515 0.015 5 0 "[ .]" 1
98 1 107 TRP HB2 1 107 TRP HE3 4.000 . 4.700 2.390 2.374 2.427 . 0 0 "[ .]" 1
99 1 2 THR HB 1 3 THR H 4.000 . 4.700 2.504 1.917 3.635 . 0 0 "[ .]" 1
100 1 5 THR HA 1 6 ALA H 3.500 . 4.100 2.613 2.158 3.254 . 0 0 "[ .]" 1
101 1 5 THR H 1 6 ALA H 3.000 . 3.500 3.401 2.514 3.880 0.380 3 0 "[ .]" 1
102 1 6 ALA MB 1 7 VAL H 2.700 . 3.100 3.048 2.687 3.208 0.108 1 0 "[ .]" 1
103 1 6 ALA H 1 7 VAL H 5.000 . 5.800 4.429 4.235 4.584 . 0 0 "[ .]" 1
104 1 7 VAL HA 1 8 ALA H 2.400 . 2.700 2.221 2.169 2.271 . 0 0 "[ .]" 1
105 1 7 VAL MG1 1 8 ALA H 2.700 . 3.100 2.657 2.359 2.892 . 0 0 "[ .]" 1
106 1 7 VAL MG2 1 8 ALA H 4.000 . 4.700 3.986 3.738 4.277 . 0 0 "[ .]" 1
107 1 8 ALA HA 1 9 VAL H 2.400 . 2.700 2.155 2.131 2.185 . 0 0 "[ .]" 1
108 1 8 ALA MB 1 9 VAL H 2.700 . 3.100 3.210 3.169 3.282 0.182 1 0 "[ .]" 1
109 1 8 ALA H 1 9 VAL H 5.000 . 5.800 4.480 4.409 4.528 . 0 0 "[ .]" 1
110 1 9 VAL HA 1 10 THR H 2.400 . 2.700 2.193 2.167 2.224 . 0 0 "[ .]" 1
111 1 9 VAL MG2 1 10 THR H 5.000 . 5.800 4.293 4.248 4.311 . 0 0 "[ .]" 1
112 1 9 VAL MG1 1 10 THR H 3.000 . 3.500 2.728 2.546 2.887 . 0 0 "[ .]" 1
113 1 10 THR HA 1 11 PHE QD 3.000 . 3.500 3.725 3.631 3.804 0.304 3 0 "[ .]" 1
114 1 10 THR HA 1 11 PHE H 2.400 . 2.700 2.219 2.068 2.321 . 0 0 "[ .]" 1
115 1 10 THR MG 1 11 PHE H 2.700 . 3.100 3.168 3.132 3.242 0.142 4 0 "[ .]" 1
116 1 10 THR H 1 11 PHE H 5.000 . 5.800 4.593 4.484 4.660 . 0 0 "[ .]" 1
117 1 11 PHE HA 1 12 ASP H 2.400 . 2.700 2.302 2.187 2.447 . 0 0 "[ .]" 1
118 1 11 PHE HB2 1 12 ASP H 5.000 . 5.800 4.177 3.772 4.396 . 0 0 "[ .]" 1
119 1 11 PHE QD 1 12 ASP HA 5.000 . 5.800 5.917 5.895 5.946 0.146 2 0 "[ .]" 1
120 1 11 PHE QD 1 12 ASP H 4.000 . 4.700 4.377 4.022 4.675 . 0 0 "[ .]" 1
121 1 11 PHE H 1 12 ASP H 5.000 . 5.800 4.246 3.912 4.523 . 0 0 "[ .]" 1
122 1 12 ASP HA 1 13 LEU H 2.400 . 2.700 2.130 2.102 2.164 . 0 0 "[ .]" 1
123 1 12 ASP HB3 1 13 LEU H 5.000 . 5.800 3.990 3.668 4.164 . 0 0 "[ .]" 1
124 1 12 ASP H 1 13 LEU H 4.000 . 4.700 4.338 4.061 4.588 . 0 0 "[ .]" 1
125 1 12 ASP H 1 13 LEU QD 5.000 . 5.800 4.581 4.000 4.875 . 0 0 "[ .]" 1
126 1 13 LEU HA 1 14 THR H 2.400 . 2.700 2.153 2.059 2.382 . 0 0 "[ .]" 1
127 1 13 LEU MD1 1 14 THR H 2.700 . 3.100 3.115 2.940 3.184 0.084 2 0 "[ .]" 1
128 1 13 LEU HB2 1 14 THR H 4.000 . 4.700 4.200 3.338 4.501 . 0 0 "[ .]" 1
129 1 13 LEU HG 1 14 THR H 4.000 . 4.700 3.438 2.399 3.840 . 0 0 "[ .]" 1
130 1 14 THR HA 1 15 ALA H 2.400 . 2.700 2.241 2.206 2.288 . 0 0 "[ .]" 1
131 1 14 THR MG 1 15 ALA H 3.500 . 4.100 3.808 3.755 3.868 . 0 0 "[ .]" 1
132 1 15 ALA HA 1 16 THR H 2.400 . 2.700 2.221 2.201 2.256 . 0 0 "[ .]" 1
133 1 15 ALA H 1 16 THR H 5.000 . 5.800 3.930 3.831 4.005 . 0 0 "[ .]" 1
134 1 16 THR HA 1 17 THR H 2.400 . 2.700 2.779 2.761 2.812 0.112 5 0 "[ .]" 1
135 1 16 THR HB 1 17 THR H 4.000 . 4.700 4.580 4.563 4.589 . 0 0 "[ .]" 1
136 1 16 THR MG 1 17 THR H 2.700 . 3.100 3.389 3.348 3.413 0.313 1 0 "[ .]" 1
137 1 17 THR HA 1 18 THR H 2.400 . 2.700 2.381 2.221 2.692 . 0 0 "[ .]" 1
138 1 18 THR MG 1 19 TYR H 2.700 . 3.100 3.109 2.877 3.269 0.169 1 0 "[ .]" 1
139 1 18 THR HA 1 19 TYR H 2.700 . 3.100 2.824 2.458 3.119 0.019 2 0 "[ .]" 1
140 1 19 TYR HA 1 20 GLY H 2.400 . 2.700 2.602 2.263 2.763 0.063 4 0 "[ .]" 1
141 1 19 TYR HB2 1 20 GLY H 4.000 . 4.700 4.213 3.714 4.572 . 0 0 "[ .]" 1
142 1 19 TYR HB3 1 20 GLY H 3.500 . 4.100 3.613 2.546 4.201 0.101 1 0 "[ .]" 1
143 1 19 TYR QD 1 20 GLY QA 3.000 . 3.500 3.459 3.210 3.551 0.051 4 0 "[ .]" 1
144 1 20 GLY H 1 21 GLU H 2.400 . 2.700 2.512 2.144 2.727 0.027 4 0 "[ .]" 1
145 1 20 GLY QA 1 21 GLU H 3.000 . 3.500 2.875 2.677 2.942 . 0 0 "[ .]" 1
146 1 21 GLU HA 1 22 ASN H 2.400 . 2.700 2.650 2.556 2.722 0.022 3 0 "[ .]" 1
147 1 21 GLU QB 1 22 ASN H 3.500 . 4.100 2.203 1.963 2.434 . 0 0 "[ .]" 1
148 1 21 GLU QG 1 22 ASN H 5.000 . 5.800 3.830 2.952 4.292 . 0 0 "[ .]" 1
149 1 21 GLU H 1 22 ASN H 4.000 . 4.700 4.507 4.386 4.595 . 0 0 "[ .]" 1
150 1 22 ASN HA 1 23 ILE H 2.400 . 2.700 2.265 2.246 2.288 . 0 0 "[ .]" 1
151 1 22 ASN HB3 1 23 ILE H 3.000 . 3.500 3.558 3.531 3.608 0.108 4 0 "[ .]" 1
152 1 22 ASN HB2 1 23 ILE H 4.000 . 4.700 4.319 4.300 4.347 . 0 0 "[ .]" 1
153 1 22 ASN HB2 1 23 ILE HA 5.000 . 5.800 5.650 5.618 5.687 . 0 0 "[ .]" 1
154 1 23 ILE HA 1 24 TYR H 2.400 . 2.700 2.148 2.107 2.175 . 0 0 "[ .]" 1
155 1 23 ILE HB 1 24 TYR H 5.000 . 5.800 4.400 4.380 4.419 . 0 0 "[ .]" 1
156 1 23 ILE MD 1 24 TYR H 4.000 . 4.700 4.810 4.764 4.841 0.141 1 0 "[ .]" 1
157 1 23 ILE QG 1 24 TYR H 4.000 . 4.700 4.131 4.009 4.220 . 0 0 "[ .]" 1
158 1 23 ILE MG 1 24 TYR H 2.400 . 2.700 2.775 2.734 2.813 0.113 5 0 "[ .]" 1
159 1 23 ILE H 1 24 TYR QD 5.000 . 5.800 4.261 4.195 4.371 . 0 0 "[ .]" 1
160 1 23 ILE HA 1 24 TYR QD 2.700 . 3.100 3.322 3.292 3.371 0.271 3 0 "[ .]" 1
161 1 24 TYR HA 1 25 LEU H 2.400 . 2.700 2.737 2.680 2.859 0.159 3 0 "[ .]" 1
162 1 24 TYR HB2 1 25 LEU H 2.700 . 3.100 3.198 3.113 3.241 0.141 1 0 "[ .]" 1
163 1 24 TYR HB3 1 25 LEU H 4.000 . 4.700 1.876 1.813 1.916 0.087 3 0 "[ .]" 1
164 1 24 TYR QD 1 25 LEU H 3.500 . 4.100 3.591 3.455 3.688 . 0 0 "[ .]" 1
165 1 25 LEU HA 1 26 VAL H 2.400 . 2.700 2.167 2.154 2.177 . 0 0 "[ .]" 1
166 1 26 VAL HA 1 27 GLY H 2.400 . 2.700 2.631 2.548 2.683 . 0 0 "[ .]" 1
167 1 26 VAL HB 1 27 GLY H 3.000 . 3.500 3.791 3.749 3.858 0.358 3 0 "[ .]" 1
168 1 26 VAL MG2 1 27 GLY H 2.400 . 2.700 1.766 1.751 1.783 0.149 4 0 "[ .]" 1
169 1 26 VAL MG1 1 27 GLY H 3.000 . 3.500 3.447 3.370 3.528 0.028 4 0 "[ .]" 1
170 1 27 GLY QA 1 28 SER H 2.700 . 3.100 2.249 2.240 2.259 . 0 0 "[ .]" 1
171 1 28 SER HA 1 29 ILE H 4.000 . 4.700 3.090 2.972 3.163 . 0 0 "[ .]" 1
172 1 29 ILE HA 1 30 SER H 5.000 . 5.800 2.383 2.326 2.512 . 0 0 "[ .]" 1
173 1 29 ILE HB 1 30 SER H 3.000 . 3.500 2.745 2.474 2.910 . 0 0 "[ .]" 1
174 1 30 SER QB 1 31 GLN H 3.000 . 3.500 3.025 2.692 3.369 . 0 0 "[ .]" 1
175 1 31 GLN HA 1 32 LEU H 4.000 . 4.700 3.539 3.469 3.570 . 0 0 "[ .]" 1
176 1 31 GLN H 1 32 LEU H 4.000 . 4.700 2.939 2.824 3.120 . 0 0 "[ .]" 1
177 1 32 LEU HA 1 33 GLY H 3.000 . 3.500 2.815 2.727 2.880 . 0 0 "[ .]" 1
178 1 32 LEU HG 1 33 GLY H 5.000 . 5.800 5.547 4.980 5.910 0.110 3 0 "[ .]" 1
179 1 32 LEU H 1 33 GLY H 2.400 . 2.700 2.919 2.863 2.992 0.292 4 0 "[ .]" 1
180 1 33 GLY QA 1 34 ASP H 5.000 . 5.800 2.890 2.864 2.912 . 0 0 "[ .]" 1
181 1 33 GLY H 1 34 ASP H 2.400 . 2.700 2.537 2.453 2.663 . 0 0 "[ .]" 1
182 1 34 ASP HA 1 35 TRP H 2.700 . 3.100 3.492 3.482 3.501 0.401 4 0 "[ .]" 1
183 1 34 ASP H 1 35 TRP H 3.000 . 3.500 3.630 3.593 3.655 0.155 5 0 "[ .]" 1
184 1 35 TRP HA 1 36 GLU H 3.500 . 4.100 2.722 2.696 2.760 . 0 0 "[ .]" 1
185 1 35 TRP H 1 36 GLU H 3.000 . 3.500 2.075 2.007 2.150 . 0 0 "[ .]" 1
186 1 36 GLU HA 1 37 THR H 2.400 . 2.700 2.197 2.173 2.241 . 0 0 "[ .]" 1
187 1 36 GLU QB 1 37 THR H 2.700 . 3.100 3.220 3.168 3.270 0.170 3 0 "[ .]" 1
188 1 36 GLU H 1 37 THR H 5.000 . 5.800 4.374 4.337 4.436 . 0 0 "[ .]" 1
189 1 37 THR HA 1 38 SER H 3.000 . 3.500 3.496 3.488 3.507 0.007 2 0 "[ .]" 1
190 1 37 THR HA 1 38 SER HA 5.000 . 5.800 4.741 4.735 4.750 . 0 0 "[ .]" 1
191 1 37 THR H 1 38 SER H 2.700 . 3.100 2.354 2.286 2.434 . 0 0 "[ .]" 1
192 1 38 SER HA 1 39 ASP H 2.700 . 3.100 3.346 3.314 3.387 0.287 2 0 "[ .]" 1
193 1 38 SER HB2 1 39 ASP H 4.000 . 4.700 3.751 3.607 3.847 . 0 0 "[ .]" 1
194 1 38 SER H 1 39 ASP H 2.400 . 2.700 2.336 2.290 2.378 . 0 0 "[ .]" 1
195 1 39 ASP HA 1 40 GLY H 2.700 . 3.100 3.289 3.224 3.348 0.248 1 0 "[ .]" 1
196 1 39 ASP H 1 40 GLY H 2.400 . 2.700 1.912 1.882 2.007 0.018 4 0 "[ .]" 1
197 1 39 ASP HB3 1 40 GLY H 3.500 . 4.100 4.045 3.961 4.138 0.038 1 0 "[ .]" 1
198 1 40 GLY QA 1 41 ILE H 2.700 . 3.100 2.215 2.191 2.235 . 0 0 "[ .]" 1
199 1 40 GLY H 1 41 ILE H 3.500 . 4.100 4.031 3.824 4.109 0.009 1 0 "[ .]" 1
200 1 41 ILE HA 1 42 ALA H 2.400 . 2.700 2.152 2.122 2.168 . 0 0 "[ .]" 1
201 1 41 ILE HB 1 42 ALA H 4.000 . 4.700 4.304 4.280 4.362 . 0 0 "[ .]" 1
202 1 41 ILE MD 1 42 ALA H 5.000 . 5.800 4.654 3.451 5.026 . 0 0 "[ .]" 1
203 1 41 ILE MG 1 42 ALA H 2.400 . 2.700 2.609 2.419 2.706 0.006 5 0 "[ .]" 1
204 1 41 ILE H 1 42 ALA H 4.000 . 4.700 4.127 4.101 4.143 . 0 0 "[ .]" 1
205 1 42 ALA HA 1 43 LEU H 2.400 . 2.700 2.253 2.191 2.289 . 0 0 "[ .]" 1
206 1 42 ALA MB 1 43 LEU H 2.400 . 2.700 2.887 2.845 2.933 0.233 3 0 "[ .]" 1
207 1 42 ALA H 1 43 LEU H 4.000 . 4.700 4.644 4.594 4.666 . 0 0 "[ .]" 1
208 1 42 ALA HA 1 43 LEU MD1 3.000 . 3.500 2.885 2.839 2.977 . 0 0 "[ .]" 1
209 1 43 LEU HA 1 44 SER H 3.000 . 3.500 2.646 2.494 2.734 . 0 0 "[ .]" 1
210 1 43 LEU HB3 1 44 SER H 5.000 . 5.800 1.913 1.793 2.170 0.107 1 0 "[ .]" 1
211 1 43 LEU HB2 1 44 SER H 3.500 . 4.100 3.308 3.212 3.511 . 0 0 "[ .]" 1
212 1 44 SER HA 1 45 ALA H 2.400 . 2.700 2.647 2.572 2.743 0.043 5 0 "[ .]" 1
213 1 44 SER HB3 1 45 ALA H 5.000 . 5.800 3.271 2.795 3.611 . 0 0 "[ .]" 1
214 1 45 ALA HA 1 46 ASP H 3.500 . 4.100 2.704 2.612 2.822 . 0 0 "[ .]" 1
215 1 45 ALA MB 1 46 ASP H 3.000 . 3.500 3.695 3.664 3.718 0.218 5 0 "[ .]" 1
216 1 45 ALA H 1 46 ASP H 2.400 . 2.700 2.839 2.767 2.910 0.210 2 0 "[ .]" 1
217 1 46 ASP HA 1 47 LYS H 4.000 . 4.700 3.545 3.425 3.595 . 0 0 "[ .]" 1
218 1 46 ASP H 1 47 LYS H 4.000 . 4.700 2.794 2.642 2.901 . 0 0 "[ .]" 1
219 1 47 LYS HA 1 48 TYR H 3.000 . 3.500 3.035 2.856 3.223 . 0 0 "[ .]" 1
220 1 47 LYS QB 1 48 TYR H 4.000 . 4.700 3.690 3.495 3.848 . 0 0 "[ .]" 1
221 1 47 LYS H 1 48 TYR HB3 5.000 . 5.800 3.992 3.731 4.209 . 0 0 "[ .]" 1
222 1 47 LYS H 1 48 TYR H 2.400 . 2.700 2.588 2.486 2.737 0.037 3 0 "[ .]" 1
223 1 48 TYR HA 1 49 THR H 2.700 . 3.100 2.198 2.186 2.211 . 0 0 "[ .]" 1
224 1 48 TYR HB2 1 49 THR H 5.000 . 5.800 4.296 4.144 4.416 . 0 0 "[ .]" 1
225 1 48 TYR QD 1 49 THR H 2.700 . 3.100 2.103 1.983 2.200 . 0 0 "[ .]" 1
226 1 48 TYR QD 1 49 THR HA 2.700 . 3.100 3.238 3.197 3.265 0.165 4 0 "[ .]" 1
227 1 48 TYR H 1 49 THR H 5.000 . 5.800 4.230 4.045 4.344 . 0 0 "[ .]" 1
228 1 50 SER HA 1 51 SER H 3.500 . 4.100 3.486 3.094 3.604 . 0 0 "[ .]" 1
229 1 50 SER QB 1 51 SER H 3.000 . 3.500 2.338 1.971 2.747 . 0 0 "[ .]" 1
230 1 50 SER H 1 51 SER H 4.000 . 4.700 2.800 1.999 4.111 . 0 0 "[ .]" 1
231 1 51 SER HA 1 52 ASP H 3.000 . 3.500 3.499 3.329 3.563 0.063 3 0 "[ .]" 1
232 1 51 SER QB 1 52 ASP H 3.500 . 4.100 2.262 1.898 3.358 0.002 4 0 "[ .]" 1
233 1 51 SER H 1 52 ASP H 2.700 . 3.100 3.003 2.681 3.144 0.044 2 0 "[ .]" 1
234 1 52 ASP HA 1 53 PRO QD 3.000 . 3.500 1.934 1.906 2.006 . 0 0 "[ .]" 1
235 1 52 ASP H 1 53 PRO QD 4.000 . 4.700 3.620 3.302 3.786 . 0 0 "[ .]" 1
236 1 53 PRO HA 1 54 LEU H 2.400 . 2.700 2.304 2.248 2.372 . 0 0 "[ .]" 1
237 1 53 PRO QD 1 54 LEU QD 3.000 . 3.500 3.659 3.606 3.742 0.242 5 0 "[ .]" 1
238 1 54 LEU HA 1 55 TRP HD1 3.500 . 4.100 4.023 3.815 4.284 0.184 5 0 "[ .]" 1
239 1 54 LEU HA 1 55 TRP H 2.400 . 2.700 2.165 2.099 2.209 . 0 0 "[ .]" 1
240 1 54 LEU QB 1 55 TRP H 4.000 . 4.700 3.437 3.059 3.812 . 0 0 "[ .]" 1
241 1 54 LEU QD 1 55 TRP H 4.000 . 4.700 3.620 2.990 3.926 . 0 0 "[ .]" 1
242 1 54 LEU HG 1 55 TRP H 5.000 . 5.800 5.192 3.784 5.733 . 0 0 "[ .]" 1
243 1 54 LEU H 1 55 TRP H 5.000 . 5.800 4.118 3.863 4.325 . 0 0 "[ .]" 1
244 1 55 TRP HA 1 56 TYR H 2.400 . 2.700 2.732 2.684 2.788 0.088 1 0 "[ .]" 1
245 1 55 TRP HB2 1 56 TYR H 4.000 . 4.700 3.242 3.107 3.398 . 0 0 "[ .]" 1
246 1 55 TRP HB3 1 56 TYR H 5.000 . 5.800 1.851 1.772 1.973 0.128 4 0 "[ .]" 1
247 1 56 TYR HA 1 57 VAL H 2.400 . 2.700 2.122 2.044 2.174 . 0 0 "[ .]" 1
248 1 56 TYR HA 1 57 VAL MG2 4.000 . 4.700 3.874 3.374 4.220 . 0 0 "[ .]" 1
249 1 56 TYR QB 1 57 VAL H 2.700 . 3.100 2.921 1.992 3.413 0.313 1 0 "[ .]" 1
250 1 56 TYR QD 1 57 VAL HA 3.000 . 3.500 3.515 2.906 3.866 0.366 2 0 "[ .]" 1
251 1 56 TYR QD 1 57 VAL H 3.000 . 3.500 2.902 2.549 3.424 . 0 0 "[ .]" 1
252 1 57 VAL HA 1 58 THR H 2.400 . 2.700 2.140 2.093 2.188 . 0 0 "[ .]" 1
253 1 57 VAL HB 1 58 THR H 3.500 . 4.100 4.241 4.200 4.288 0.188 1 0 "[ .]" 1
254 1 57 VAL MG1 1 58 THR H 2.400 . 2.700 2.441 2.317 2.590 . 0 0 "[ .]" 1
255 1 57 VAL MG2 1 58 THR H 3.000 . 3.500 3.571 3.423 3.788 0.288 3 0 "[ .]" 1
256 1 58 THR HA 1 59 VAL H 2.400 . 2.700 2.272 2.164 2.472 . 0 0 "[ .]" 1
257 1 58 THR HB 1 59 VAL H 4.000 . 4.700 4.617 4.586 4.667 . 0 0 "[ .]" 1
258 1 58 THR MG 1 59 VAL H 3.000 . 3.500 3.805 3.740 3.890 0.390 4 0 "[ .]" 1
259 1 59 VAL HA 1 60 THR H 2.400 . 2.700 2.214 2.172 2.254 . 0 0 "[ .]" 1
260 1 59 VAL HB 1 60 THR H 5.000 . 5.800 4.267 4.117 4.332 . 0 0 "[ .]" 1
261 1 59 VAL QG 1 60 THR HB 3.500 . 4.100 4.314 4.278 4.353 0.253 1 0 "[ .]" 1
262 1 60 THR HA 1 61 LEU H 2.400 . 2.700 2.243 2.206 2.333 . 0 0 "[ .]" 1
263 1 60 THR MG 1 61 LEU H 2.700 . 3.100 3.168 3.145 3.196 0.096 5 0 "[ .]" 1
264 1 61 LEU HA 1 62 PRO QD 2.400 . 2.700 1.999 1.915 2.056 . 0 0 "[ .]" 1
265 1 61 LEU MD2 1 62 PRO QD 3.000 . 3.500 2.969 2.649 3.224 . 0 0 "[ .]" 1
266 1 61 LEU HG 1 62 PRO QD 4.000 . 4.700 4.336 4.291 4.445 . 0 0 "[ .]" 1
267 1 62 PRO HA 1 63 ALA H 2.400 . 2.700 2.480 2.221 2.724 0.024 4 0 "[ .]" 1
268 1 62 PRO QB 1 63 ALA H 5.000 . 5.800 2.367 2.044 2.704 . 0 0 "[ .]" 1
269 1 62 PRO QD 1 63 ALA H 4.000 . 4.700 4.843 4.713 4.931 0.231 3 0 "[ .]" 1
270 1 63 ALA HA 1 64 GLY H 2.700 . 3.100 2.691 2.249 3.220 0.120 3 0 "[ .]" 1
271 1 63 ALA MB 1 64 GLY H 3.000 . 3.500 3.257 2.354 3.645 0.145 1 0 "[ .]" 1
272 1 64 GLY QA 1 65 GLU H 5.000 . 5.800 2.298 2.197 2.535 . 0 0 "[ .]" 1
273 1 65 GLU HA 1 66 SER H 2.400 . 2.700 2.233 2.153 2.270 . 0 0 "[ .]" 1
274 1 65 GLU QB 1 66 SER H 3.500 . 4.100 3.312 3.156 3.503 . 0 0 "[ .]" 1
275 1 65 GLU QG 1 66 SER H 4.000 . 4.700 2.726 2.461 3.219 . 0 0 "[ .]" 1
276 1 66 SER HA 1 67 PHE H 2.400 . 2.700 2.608 2.535 2.679 . 0 0 "[ .]" 1
277 1 66 SER HB2 1 67 PHE H 4.000 . 4.700 4.627 4.617 4.638 . 0 0 "[ .]" 1
278 1 66 SER HA 1 67 PHE QD 3.500 . 4.100 3.876 3.818 3.932 . 0 0 "[ .]" 1
279 1 67 PHE HA 1 68 GLU H 2.400 . 2.700 2.481 2.387 2.688 . 0 0 "[ .]" 1
280 1 67 PHE QB 1 68 GLU H 2.400 . 2.700 2.260 1.893 2.582 0.007 5 0 "[ .]" 1
281 1 68 GLU HA 1 69 TYR QD 4.000 . 4.700 3.632 3.011 4.154 . 0 0 "[ .]" 1
282 1 68 GLU HA 1 69 TYR H 2.400 . 2.700 2.206 2.162 2.227 . 0 0 "[ .]" 1
283 1 68 GLU QB 1 69 TYR H 3.000 . 3.500 3.585 3.502 3.658 0.158 3 0 "[ .]" 1
284 1 68 GLU QG 1 69 TYR QD 4.000 . 4.700 4.737 4.709 4.782 0.082 3 0 "[ .]" 1
285 1 68 GLU QB 1 69 TYR QD 5.000 . 5.800 4.651 4.026 5.061 . 0 0 "[ .]" 1
286 1 68 GLU H 1 69 TYR H 5.000 . 5.800 4.005 3.864 4.128 . 0 0 "[ .]" 1
287 1 69 TYR HA 1 70 LYS H 2.400 . 2.700 2.443 2.303 2.597 . 0 0 "[ .]" 1
288 1 69 TYR QB 1 70 LYS H 2.400 . 2.700 2.469 2.241 2.789 0.089 4 0 "[ .]" 1
289 1 69 TYR QD 1 70 LYS H 3.500 . 4.100 3.934 3.551 4.206 0.106 5 0 "[ .]" 1
290 1 70 LYS HA 1 71 PHE H 2.400 . 2.700 2.435 2.368 2.617 . 0 0 "[ .]" 1
291 1 70 LYS QB 1 71 PHE H 4.000 . 4.700 2.608 2.406 2.844 . 0 0 "[ .]" 1
292 1 71 PHE HA 1 72 ILE H 2.400 . 2.700 2.398 2.331 2.482 . 0 0 "[ .]" 1
293 1 71 PHE HB3 1 72 ILE H 5.000 . 5.800 3.969 3.888 4.103 . 0 0 "[ .]" 1
294 1 71 PHE HB2 1 72 ILE H 3.000 . 3.500 2.667 2.574 2.840 . 0 0 "[ .]" 1
295 1 71 PHE QD 1 72 ILE HA 3.500 . 4.100 3.412 3.081 3.896 . 0 0 "[ .]" 1
296 1 71 PHE HB2 1 72 ILE QG 3.500 . 4.100 4.187 4.127 4.230 0.130 3 0 "[ .]" 1
297 1 72 ILE HA 1 73 ARG H 2.400 . 2.700 2.276 2.260 2.293 . 0 0 "[ .]" 1
298 1 72 ILE H 1 73 ARG H 4.000 . 4.700 4.375 4.329 4.496 . 0 0 "[ .]" 1
299 1 72 ILE HB 1 73 ARG H 3.000 . 3.500 3.096 2.932 3.149 . 0 0 "[ .]" 1
300 1 72 ILE MD 1 73 ARG H 4.000 . 4.700 4.863 4.811 4.910 0.210 2 0 "[ .]" 1
301 1 72 ILE MG 1 73 ARG H 3.000 . 3.500 3.279 3.210 3.325 . 0 0 "[ .]" 1
302 1 73 ARG QB 1 74 ILE H 3.500 . 4.100 3.919 3.688 4.065 . 0 0 "[ .]" 1
303 1 74 ILE HA 1 75 GLU H 2.400 . 2.700 2.095 2.086 2.103 . 0 0 "[ .]" 1
304 1 74 ILE MG 1 75 GLU H 2.400 . 2.700 2.726 2.714 2.736 0.036 4 0 "[ .]" 1
305 1 75 GLU HA 1 76 SER H 2.400 . 2.700 2.703 2.697 2.710 0.010 5 0 "[ .]" 1
306 1 75 GLU HB3 1 76 SER H 4.000 . 4.700 2.098 2.079 2.110 . 0 0 "[ .]" 1
307 1 75 GLU QG 1 76 SER H 3.500 . 4.100 3.044 2.925 3.290 . 0 0 "[ .]" 1
308 1 76 SER HA 1 77 ASP H 2.700 . 3.100 3.374 3.366 3.381 0.281 2 0 "[ .]" 1
309 1 76 SER HB2 1 77 ASP H 5.000 . 5.800 3.117 3.072 3.165 . 0 0 "[ .]" 1
310 1 76 SER H 1 77 ASP H 2.400 . 2.700 2.587 2.577 2.596 . 0 0 "[ .]" 1
311 1 77 ASP HA 1 78 ASP H 2.400 . 2.700 2.753 2.733 2.790 0.090 5 0 "[ .]" 1
312 1 78 ASP HA 1 79 SER H 2.700 . 3.100 3.177 3.140 3.193 0.093 5 0 "[ .]" 1
313 1 78 ASP H 1 79 SER H 2.700 . 3.100 2.763 2.696 2.799 . 0 0 "[ .]" 1
314 1 79 SER HA 1 80 VAL H 2.400 . 2.700 2.340 2.300 2.354 . 0 0 "[ .]" 1
315 1 79 SER QB 1 80 VAL H 2.700 . 3.100 3.156 3.140 3.171 0.071 2 0 "[ .]" 1
316 1 79 SER QB 1 80 VAL MG1 3.500 . 4.100 3.905 3.864 4.032 . 0 0 "[ .]" 1
317 1 80 VAL HB 1 81 GLU H 5.000 . 5.800 2.191 2.167 2.232 . 0 0 "[ .]" 1
318 1 80 VAL MG1 1 81 GLU H 3.000 . 3.500 3.714 3.693 3.743 0.243 3 0 "[ .]" 1
319 1 80 VAL MG2 1 81 GLU H 2.400 . 2.700 2.324 2.258 2.427 . 0 0 "[ .]" 1
320 1 80 VAL H 1 81 GLU H 5.000 . 5.800 4.393 4.383 4.404 . 0 0 "[ .]" 1
321 1 81 GLU HA 1 82 TRP HD1 2.400 . 2.700 2.696 2.330 2.803 0.103 4 0 "[ .]" 1
322 1 81 GLU HA 1 82 TRP H 2.400 . 2.700 2.430 2.108 2.522 . 0 0 "[ .]" 1
323 1 81 GLU HA 1 82 TRP HB3 4.000 . 4.700 5.163 5.148 5.178 0.478 1 0 "[ .]" 1
324 1 81 GLU HB3 1 82 TRP H 3.500 . 4.100 2.644 2.426 3.313 . 0 0 "[ .]" 1
325 1 81 GLU HB2 1 82 TRP H 3.500 . 4.100 3.510 3.209 4.174 0.074 3 0 "[ .]" 1
326 1 81 GLU QG 1 82 TRP H 3.500 . 4.100 4.120 4.012 4.167 0.067 5 0 "[ .]" 1
327 1 82 TRP HA 1 83 GLU H 2.400 . 2.700 2.438 2.351 2.632 . 0 0 "[ .]" 1
328 1 82 TRP HB3 1 83 GLU H 4.000 . 4.700 2.067 1.942 2.175 . 0 0 "[ .]" 1
329 1 82 TRP HB2 1 83 GLU H 3.500 . 4.100 3.190 1.879 3.610 0.021 3 0 "[ .]" 1
330 1 82 TRP HE3 1 83 GLU HB2 4.000 . 4.700 4.725 4.635 4.798 0.098 3 0 "[ .]" 1
331 1 82 TRP HE3 1 83 GLU HB3 3.000 . 3.500 3.781 3.740 3.866 0.366 3 0 "[ .]" 1
332 1 82 TRP H 1 83 GLU H 4.000 . 4.700 4.298 4.184 4.362 . 0 0 "[ .]" 1
333 1 83 GLU HA 1 84 SER H 2.400 . 2.700 2.261 2.221 2.324 . 0 0 "[ .]" 1
334 1 83 GLU HB2 1 84 SER H 3.000 . 3.500 3.000 2.662 3.231 . 0 0 "[ .]" 1
335 1 83 GLU HB3 1 84 SER H 3.500 . 4.100 3.932 3.844 3.976 . 0 0 "[ .]" 1
336 1 84 SER HA 1 85 ASP H 2.700 . 3.100 3.173 3.123 3.241 0.141 3 0 "[ .]" 1
337 1 84 SER HB2 1 85 ASP H 3.000 . 3.500 3.453 3.392 3.512 0.012 2 0 "[ .]" 1
338 1 84 SER HB3 1 85 ASP H 2.700 . 3.100 2.152 2.075 2.299 . 0 0 "[ .]" 1
339 1 84 SER H 1 85 ASP H 5.000 . 5.800 4.116 3.965 4.239 . 0 0 "[ .]" 1
340 1 85 ASP HA 1 86 PRO HA 4.000 . 4.700 4.722 4.712 4.736 0.036 3 0 "[ .]" 1
341 1 85 ASP HB2 1 86 PRO HA 5.000 . 5.800 4.745 4.689 4.799 . 0 0 "[ .]" 1
342 1 86 PRO HA 1 87 ASN H 2.700 . 3.100 2.241 2.208 2.273 . 0 0 "[ .]" 1
343 1 86 PRO QB 1 87 ASN H 3.000 . 3.500 3.766 3.743 3.794 0.294 2 0 "[ .]" 1
344 1 86 PRO QG 1 87 ASN H 5.000 . 5.800 4.820 4.798 4.845 . 0 0 "[ .]" 1
345 1 88 ARG HA 1 89 GLU H 2.400 . 2.700 2.541 2.170 2.705 0.005 3 0 "[ .]" 1
346 1 88 ARG HB3 1 89 GLU H 5.000 . 5.800 2.413 2.054 3.612 . 0 0 "[ .]" 1
347 1 88 ARG HB2 1 89 GLU H 3.500 . 4.100 3.595 3.140 4.170 0.070 4 0 "[ .]" 1
348 1 90 TYR HA 1 91 THR H 2.400 . 2.700 2.252 2.216 2.296 . 0 0 "[ .]" 1
349 1 90 TYR HB3 1 91 THR H 4.000 . 4.700 3.951 3.826 4.104 . 0 0 "[ .]" 1
350 1 90 TYR HB2 1 91 THR H 4.000 . 4.700 4.122 4.012 4.256 . 0 0 "[ .]" 1
351 1 90 TYR QD 1 91 THR H 2.700 . 3.100 2.974 2.524 3.109 0.009 1 0 "[ .]" 1
352 1 90 TYR QE 1 91 THR H 5.000 . 5.800 3.736 3.420 4.021 . 0 0 "[ .]" 1
353 1 90 TYR H 1 91 THR H 4.000 . 4.700 4.311 4.165 4.434 . 0 0 "[ .]" 1
354 1 91 THR HA 1 92 VAL H 2.700 . 3.100 2.158 2.138 2.169 . 0 0 "[ .]" 1
355 1 91 THR MG 1 92 VAL H 3.000 . 3.500 3.639 3.606 3.678 0.178 1 0 "[ .]" 1
356 1 91 THR H 1 92 VAL H 5.000 . 5.800 4.288 4.218 4.383 . 0 0 "[ .]" 1
357 1 92 VAL MG2 1 93 PRO QD 2.700 . 3.100 3.195 3.176 3.226 0.126 3 0 "[ .]" 1
358 1 92 VAL MG1 1 93 PRO QD 2.700 . 3.100 2.304 1.860 2.663 0.040 1 0 "[ .]" 1
359 1 92 VAL MG2 1 93 PRO HA 5.000 . 5.800 5.701 5.677 5.734 . 0 0 "[ .]" 1
360 1 92 VAL MG1 1 93 PRO HA 5.000 . 5.800 3.948 3.896 3.982 . 0 0 "[ .]" 1
361 1 92 VAL HA 1 93 PRO QD 3.500 . 4.100 1.868 1.860 1.880 0.040 4 0 "[ .]" 1
362 1 92 VAL HA 1 93 PRO HA 5.000 . 5.800 4.475 4.446 4.490 . 0 0 "[ .]" 1
363 1 93 PRO HA 1 94 GLN H 5.000 . 5.800 2.794 2.253 3.543 . 0 0 "[ .]" 1
364 1 98 THR HA 1 99 SER H 3.000 . 3.500 2.695 2.445 3.074 . 0 0 "[ .]" 1
365 1 99 SER HA 1 100 THR H 3.000 . 3.500 2.517 2.240 3.044 . 0 0 "[ .]" 1
366 1 99 SER H 1 100 THR H 4.000 . 4.700 3.498 2.696 4.227 . 0 0 "[ .]" 1
367 1 100 THR HA 1 101 ALA H 2.400 . 2.700 2.433 2.258 2.571 . 0 0 "[ .]" 1
368 1 100 THR MG 1 101 ALA H 3.000 . 3.500 3.412 3.210 3.493 . 0 0 "[ .]" 1
369 1 101 ALA HA 1 102 THR H 2.400 . 2.700 2.620 2.489 2.734 0.034 1 0 "[ .]" 1
370 1 101 ALA MB 1 102 THR H 2.400 . 2.700 2.083 1.850 2.350 0.050 1 0 "[ .]" 1
371 1 102 THR H 1 103 VAL H 5.000 . 5.800 4.387 4.346 4.427 . 0 0 "[ .]" 1
372 1 102 THR HA 1 103 VAL H 2.400 . 2.700 2.266 2.167 2.347 . 0 0 "[ .]" 1
373 1 102 THR MG 1 103 VAL H 2.400 . 2.700 2.057 1.895 2.351 0.005 2 0 "[ .]" 1
374 1 103 VAL HA 1 104 THR H 2.400 . 2.700 2.212 2.173 2.235 . 0 0 "[ .]" 1
375 1 103 VAL HB 1 104 THR H 5.000 . 5.800 4.569 4.504 4.625 . 0 0 "[ .]" 1
376 1 103 VAL MG1 1 104 THR H 3.000 . 3.500 3.282 3.204 3.379 . 0 0 "[ .]" 1
377 1 103 VAL MG2 1 104 THR H 3.500 . 4.100 3.945 3.733 4.100 . 0 0 "[ .]" 1
378 1 104 THR HA 1 105 ASP H 2.400 . 2.700 2.185 2.151 2.241 . 0 0 "[ .]" 1
379 1 104 THR HB 1 105 ASP H 4.000 . 4.700 4.128 3.871 4.238 . 0 0 "[ .]" 1
380 1 104 THR MG 1 105 ASP H 3.000 . 3.500 3.282 3.102 3.509 0.009 3 0 "[ .]" 1
381 1 105 ASP HA 1 106 THR H 2.400 . 2.700 2.241 2.209 2.272 . 0 0 "[ .]" 1
382 1 105 ASP QB 1 106 THR H 2.700 . 3.100 3.149 3.102 3.231 0.131 1 0 "[ .]" 1
383 1 106 THR HA 1 107 TRP H 2.400 . 2.700 2.239 2.186 2.262 . 0 0 "[ .]" 1
384 1 106 THR HB 1 107 TRP H 4.000 . 4.700 4.125 4.062 4.197 . 0 0 "[ .]" 1
385 1 106 THR MG 1 107 TRP H 2.700 . 3.100 2.045 1.926 2.237 . 0 0 "[ .]" 1
386 1 107 TRP HA 1 108 ARG H 3.000 . 3.500 3.498 3.435 3.560 0.060 4 0 "[ .]" 1
387 1 107 TRP HD1 1 108 ARG HA 2.400 . 2.700 2.748 2.718 2.798 0.098 3 0 "[ .]" 1
388 1 107 TRP H 1 108 ARG H 4.000 . 4.700 2.042 1.934 2.201 . 0 0 "[ .]" 1
389 1 2 THR HB 1 6 ALA H 5.000 . 5.800 5.731 5.399 5.861 0.061 4 0 "[ .]" 1
390 1 3 THR H 1 6 ALA MB 5.000 . 5.800 4.660 3.435 5.947 0.147 1 0 "[ .]" 1
391 1 3 THR HA 1 5 THR H 5.000 . 5.800 4.636 3.736 5.776 . 0 0 "[ .]" 1
392 1 3 THR HA 1 5 THR MG 5.000 . 5.800 5.583 4.915 6.152 0.352 1 0 "[ .]" 1
393 1 3 THR HB 1 6 ALA MB 5.000 . 5.800 4.156 3.434 5.201 . 0 0 "[ .]" 1
394 1 3 THR MG 1 6 ALA H 5.000 . 5.800 3.067 2.850 3.294 . 0 0 "[ .]" 1
395 1 4 PRO HA 1 6 ALA H 4.000 . 4.700 4.203 3.671 4.864 0.164 3 0 "[ .]" 1
396 1 4 PRO QD 1 6 ALA MB 5.000 . 5.800 4.318 3.686 4.741 . 0 0 "[ .]" 1
397 1 7 VAL MG1 1 9 VAL HA 5.000 . 5.800 3.844 3.597 4.273 . 0 0 "[ .]" 1
398 1 7 VAL MG1 1 9 VAL MG2 5.000 . 5.800 2.620 2.041 3.471 . 0 0 "[ .]" 1
399 1 9 VAL HB 1 11 PHE QE 2.700 . 3.100 2.697 1.810 3.150 0.090 3 0 "[ .]" 1
400 1 9 VAL MG1 1 11 PHE QE 2.400 . 2.700 2.673 2.375 2.764 0.064 4 0 "[ .]" 1
401 1 9 VAL MG2 1 11 PHE QE 4.000 . 4.700 3.853 3.380 4.147 . 0 0 "[ .]" 1
402 1 13 LEU MD1 1 15 ALA MB 3.000 . 3.500 3.788 3.729 3.885 0.385 1 0 "[ .]" 1
403 1 13 LEU MD2 1 15 ALA MB 2.400 . 2.700 2.902 2.781 2.972 0.272 5 0 "[ .]" 1
404 1 19 TYR HA 1 21 GLU H 3.500 . 4.100 3.920 3.207 4.192 0.092 2 0 "[ .]" 1
405 1 22 ASN HB3 1 24 TYR QD 2.400 . 2.700 2.763 2.747 2.777 0.077 2 0 "[ .]" 1
406 1 22 ASN HB2 1 24 TYR QD 5.000 . 5.800 4.451 4.409 4.470 . 0 0 "[ .]" 1
407 1 22 ASN HB2 1 24 TYR H 5.000 . 5.800 6.072 6.014 6.137 0.337 3 0 "[ .]" 1
408 1 22 ASN H 1 24 TYR QD 4.000 . 4.700 4.596 4.542 4.631 . 0 0 "[ .]" 1
409 1 29 ILE MD 1 31 GLN H 4.000 . 4.700 3.202 2.835 3.600 . 0 0 "[ .]" 1
410 1 29 ILE QG 1 31 GLN H 4.000 . 4.700 1.990 1.837 2.453 0.063 4 0 "[ .]" 1
411 1 29 ILE H 1 32 LEU QD 4.000 . 4.700 3.595 3.118 4.679 . 0 0 "[ .]" 1
412 1 29 ILE MD 1 31 GLN HB3 4.000 . 4.700 3.098 2.908 3.440 . 0 0 "[ .]" 1
413 1 30 SER QB 1 33 GLY H 3.500 . 4.100 4.339 4.321 4.353 0.253 2 0 "[ .]" 1
414 1 30 SER QB 1 34 ASP H 3.500 . 4.100 4.061 3.983 4.113 0.013 3 0 "[ .]" 1
415 1 32 LEU QD 1 35 TRP HZ2 5.000 . 5.800 5.682 5.430 5.837 0.037 5 0 "[ .]" 1
416 1 32 LEU HB2 1 35 TRP HZ2 5.000 . 5.800 6.268 6.194 6.347 0.547 4 2 "[- +.]" 1
417 1 32 LEU HB3 1 36 GLU H 4.000 . 4.700 4.975 4.860 5.047 0.347 2 0 "[ .]" 1
418 1 36 GLU QB 1 39 ASP HB2 4.000 . 4.700 1.845 1.802 1.870 0.098 2 0 "[ .]" 1
419 1 36 GLU QB 1 39 ASP HB3 3.500 . 4.100 3.117 2.925 3.297 . 0 0 "[ .]" 1
420 1 36 GLU QB 1 39 ASP H 5.000 . 5.800 2.254 2.016 2.480 . 0 0 "[ .]" 1
421 1 36 GLU QG 1 38 SER H 3.500 . 4.100 4.107 4.076 4.133 0.033 3 0 "[ .]" 1
422 1 37 THR HA 1 39 ASP H 3.500 . 4.100 3.683 3.526 3.911 . 0 0 "[ .]" 1
423 1 37 THR HA 1 40 GLY H 3.500 . 4.100 2.943 2.906 3.028 . 0 0 "[ .]" 1
424 1 37 THR HA 1 40 GLY QA 5.000 . 5.800 2.980 2.905 3.036 . 0 0 "[ .]" 1
425 1 37 THR H 1 40 GLY H 5.000 . 5.800 4.373 4.261 4.520 . 0 0 "[ .]" 1
426 1 44 SER HB2 1 46 ASP H 4.000 . 4.700 4.812 4.617 4.990 0.290 5 0 "[ .]" 1
427 1 44 SER HB3 1 46 ASP H 5.000 . 5.800 3.606 3.360 4.203 . 0 0 "[ .]" 1
428 1 44 SER HA 1 46 ASP H 5.000 . 5.800 4.849 4.593 5.072 . 0 0 "[ .]" 1
429 1 45 ALA MB 1 48 TYR HB3 3.500 . 4.100 1.865 1.743 2.058 0.157 5 0 "[ .]" 1
430 1 45 ALA MB 1 48 TYR HB2 3.000 . 3.500 3.176 2.845 3.470 . 0 0 "[ .]" 1
431 1 45 ALA MB 1 48 TYR QD 3.000 . 3.500 1.897 1.842 1.981 0.058 1 0 "[ .]" 1
432 1 45 ALA MB 1 48 TYR QE 5.000 . 5.800 3.461 3.075 3.789 . 0 0 "[ .]" 1
433 1 49 THR H 1 53 PRO QB 4.000 . 4.700 3.815 3.632 4.082 . 0 0 "[ .]" 1
434 1 49 THR H 1 53 PRO HA 2.400 . 2.700 2.700 2.592 2.799 0.099 5 0 "[ .]" 1
435 1 54 LEU QD 1 56 TYR QD 3.000 . 3.500 2.560 1.840 3.650 0.150 5 0 "[ .]" 1
436 1 54 LEU QD 1 56 TYR QE 5.000 . 5.800 2.356 1.787 3.564 0.113 2 0 "[ .]" 1
437 1 54 LEU QB 1 56 TYR QE 3.500 . 4.100 3.830 3.001 4.343 0.243 2 0 "[ .]" 1
438 1 59 VAL QG 1 61 LEU HG 2.400 . 2.700 2.745 2.712 2.789 0.089 4 0 "[ .]" 1
439 1 59 VAL QG 1 61 LEU MD2 2.400 . 2.700 2.322 1.985 2.657 . 0 0 "[ .]" 1
440 1 65 GLU QB 1 67 PHE QD 4.000 . 4.100 3.013 2.862 3.464 . 0 0 "[ .]" 1
441 1 65 GLU HA 1 67 PHE QD 4.000 . 4.700 4.882 4.838 4.936 0.236 5 0 "[ .]" 1
442 1 65 GLU QG 1 67 PHE QD 4.000 . 4.700 3.724 2.892 3.965 . 0 0 "[ .]" 1
443 1 74 ILE MG 1 78 ASP HA 2.400 . 2.700 2.327 2.163 2.423 . 0 0 "[ .]" 1
444 1 74 ILE MG 1 78 ASP HB3 4.000 . 4.700 4.260 3.975 4.383 . 0 0 "[ .]" 1
445 1 74 ILE MG 1 78 ASP HB2 4.000 . 4.700 4.266 4.072 4.416 . 0 0 "[ .]" 1
446 1 74 ILE MG 1 78 ASP H 3.500 . 4.100 4.391 4.276 4.440 0.340 2 0 "[ .]" 1
447 1 75 GLU HA 1 77 ASP H 4.000 . 4.700 4.025 4.019 4.038 . 0 0 "[ .]" 1
448 1 75 GLU HB3 1 77 ASP H 3.000 . 3.500 2.270 2.260 2.281 . 0 0 "[ .]" 1
449 1 75 GLU QG 1 77 ASP H 4.000 . 4.700 4.273 4.147 4.412 . 0 0 "[ .]" 1
450 1 75 GLU HB3 1 79 SER H 3.500 . 4.100 4.287 4.276 4.300 0.200 1 0 "[ .]" 1
451 1 75 GLU H 1 79 SER H 4.000 . 4.700 3.769 3.678 3.874 . 0 0 "[ .]" 1
452 1 80 VAL HB 1 82 TRP HE1 3.500 . 4.100 4.277 4.152 4.316 0.216 2 0 "[ .]" 1
453 1 80 VAL MG1 1 82 TRP HE1 3.500 . 4.100 3.491 3.347 3.828 . 0 0 "[ .]" 1
454 1 80 VAL MG2 1 82 TRP HE1 2.400 . 2.700 1.760 1.743 1.777 0.157 2 0 "[ .]" 1
455 1 80 VAL MG1 1 82 TRP HD1 3.500 . 4.100 4.313 4.273 4.353 0.253 5 0 "[ .]" 1
456 1 80 VAL MG2 1 82 TRP HD1 2.400 . 2.700 1.783 1.772 1.800 0.128 2 0 "[ .]" 1
457 1 80 VAL MG1 1 82 TRP HZ2 5.000 . 5.800 5.124 4.953 5.574 . 0 0 "[ .]" 1
458 1 80 VAL MG2 1 82 TRP HZ2 3.500 . 4.100 3.876 3.855 3.906 . 0 0 "[ .]" 1
459 1 80 VAL HB 1 82 TRP HD1 4.000 . 4.700 3.918 3.353 4.094 . 0 0 "[ .]" 1
460 1 85 ASP HA 1 87 ASN H 5.000 . 5.800 4.634 4.531 4.688 . 0 0 "[ .]" 1
461 1 85 ASP HB3 1 87 ASN H 4.000 . 4.700 5.014 4.954 5.066 0.366 1 0 "[ .]" 1
462 1 85 ASP HB2 1 87 ASN H 5.000 . 5.800 5.867 5.831 5.888 0.088 1 0 "[ .]" 1
463 1 90 TYR QD 1 92 VAL MG2 2.400 . 2.700 2.121 1.904 2.487 . 0 0 "[ .]" 1
464 1 90 TYR QE 1 93 PRO QD 3.000 . 3.500 3.052 2.691 3.524 0.024 4 0 "[ .]" 1
465 1 17 THR MG 1 19 TYR H 5.000 . 5.800 3.102 1.845 4.746 0.055 2 0 "[ .]" 1
466 1 28 SER H 1 32 LEU QD 3.500 . 4.100 3.584 3.259 4.140 0.040 4 0 "[ .]" 1
467 1 29 ILE HB 1 31 GLN H 5.000 . 5.800 3.023 2.664 3.275 . 0 0 "[ .]" 1
468 1 32 LEU H 1 34 ASP H 4.000 . 4.700 2.937 2.668 3.170 . 0 0 "[ .]" 1
469 1 32 LEU HB3 1 35 TRP H 5.000 . 5.800 5.755 5.679 5.830 0.030 1 0 "[ .]" 1
470 1 46 ASP H 1 48 TYR H 5.000 . 5.800 4.037 3.534 4.513 . 0 0 "[ .]" 1
471 1 53 PRO QG 1 55 TRP HD1 5.000 . 5.800 5.891 5.770 5.953 0.153 1 0 "[ .]" 1
472 1 55 TRP HB2 1 57 VAL H 5.000 . 5.800 6.060 6.016 6.106 0.306 4 0 "[ .]" 1
473 1 57 VAL MG2 1 59 VAL HA 5.000 . 5.800 5.929 5.880 5.990 0.190 1 0 "[ .]" 1
474 1 57 VAL MG1 1 59 VAL QG 5.000 . 5.800 1.959 1.865 2.134 0.035 5 0 "[ .]" 1
475 1 67 PHE QB 1 69 TYR QD 5.000 . 5.800 3.490 2.317 3.965 . 0 0 "[ .]" 1
476 1 67 PHE QD 1 69 TYR QE 5.000 . 5.800 3.995 2.682 5.120 . 0 0 "[ .]" 1
477 1 72 ILE MG 1 74 ILE QG 5.000 . 5.800 3.715 3.438 3.818 . 0 0 "[ .]" 1
478 1 74 ILE QG 1 77 ASP H 5.000 . 5.800 3.970 3.907 4.029 . 0 0 "[ .]" 1
479 1 77 ASP H 1 79 SER H 3.500 . 4.000 3.719 3.705 3.730 . 0 0 "[ .]" 1
480 1 78 ASP HA 1 80 VAL HB 5.000 . 5.800 5.772 5.702 5.875 0.075 3 0 "[ .]" 1
481 1 80 VAL MG2 1 82 TRP H 5.000 . 5.800 4.157 3.612 4.330 . 0 0 "[ .]" 1
482 1 83 GLU HB3 1 85 ASP HA 5.000 . 5.800 6.122 6.076 6.164 0.364 3 0 "[ .]" 1
483 1 89 GLU QG 1 91 THR HA 5.000 . 5.800 5.753 5.653 5.809 0.009 1 0 "[ .]" 1
484 1 93 PRO QG 1 95 ALA HA 5.000 . 5.800 5.708 5.203 5.851 0.051 4 0 "[ .]" 1
485 1 104 THR HA 1 106 THR H 5.000 . 5.800 5.932 5.882 5.966 0.166 4 0 "[ .]" 1
486 1 29 ILE MD 1 67 PHE QD . . 2.700 2.073 1.889 2.506 0.011 2 0 "[ .]" 1
487 1 29 ILE MD 1 68 GLU H 5.000 . 5.800 4.688 4.371 5.216 . 0 0 "[ .]" 1
488 1 31 GLN HB3 1 61 LEU HA 5.000 . 5.800 3.992 3.639 4.338 . 0 0 "[ .]" 1
489 1 43 LEU H 1 57 VAL HB 5.000 . 5.800 5.913 5.868 5.956 0.156 3 0 "[ .]" 1
490 1 43 LEU HA 1 57 VAL HB 5.000 . 5.800 3.692 3.616 3.822 . 0 0 "[ .]" 1
491 1 43 LEU HB3 1 55 TRP HB2 4.000 . 4.700 4.106 3.900 4.297 . 0 0 "[ .]" 1
492 1 43 LEU HB2 1 55 TRP HB3 4.000 . 4.700 3.457 3.331 3.606 . 0 0 "[ .]" 1
493 1 43 LEU HB2 1 55 TRP HZ3 5.000 . 5.800 3.116 3.085 3.191 . 0 0 "[ .]" 1
494 1 43 LEU HB3 1 56 TYR H 5.000 . 5.800 2.517 2.288 2.630 . 0 0 "[ .]" 1
495 1 43 LEU HB2 1 57 VAL HB 5.000 . 5.800 4.993 4.712 5.532 . 0 0 "[ .]" 1
496 1 43 LEU HG 1 57 VAL MG1 4.000 . 4.700 3.075 2.694 3.709 . 0 0 "[ .]" 1
497 1 43 LEU MD2 1 57 VAL H 5.000 . 5.800 3.154 2.742 3.388 . 0 0 "[ .]" 1
498 1 2 THR H 1 97 GLY H 5.000 . 5.800 5.510 4.999 5.816 0.016 1 0 "[ .]" 1
499 1 3 THR MG 1 62 PRO QG 4.000 . 4.700 4.473 3.933 4.824 0.124 4 0 "[ .]" 1
500 1 3 THR HB 1 62 PRO QB 5.000 . 5.800 5.761 5.540 5.940 0.140 1 0 "[ .]" 1
501 1 6 ALA MB 1 60 THR MG 2.700 . 3.100 3.074 2.923 3.183 0.083 5 0 "[ .]" 1
502 1 6 ALA MB 1 62 PRO QB 5.000 . 5.800 2.446 1.879 3.481 0.021 3 0 "[ .]" 1
503 1 6 ALA HA 1 62 PRO HA 3.500 . 4.100 1.894 1.763 2.271 0.137 1 0 "[ .]" 1
504 1 6 ALA HA 1 63 ALA H 3.500 . 4.100 3.337 2.966 3.764 . 0 0 "[ .]" 1
505 1 7 VAL H 1 62 PRO HA 3.500 . 4.100 2.881 1.993 4.108 0.008 4 0 "[ .]" 1
506 1 7 VAL MG1 1 92 VAL MG2 5.000 . 5.800 2.944 2.270 3.492 . 0 0 "[ .]" 1
507 1 7 VAL MG1 1 92 VAL MG1 5.000 . 5.800 3.121 2.792 3.357 . 0 0 "[ .]" 1
508 1 7 VAL MG2 1 92 VAL HA 2.700 . 3.100 3.101 2.921 3.308 0.208 4 0 "[ .]" 1
509 1 7 VAL MG1 1 92 VAL HA 4.000 . 4.700 3.280 2.790 3.813 . 0 0 "[ .]" 1
510 1 7 VAL HA 1 92 VAL MG2 3.500 . 4.100 4.398 4.339 4.459 0.359 1 0 "[ .]" 1
511 1 7 VAL HA 1 92 VAL MG1 3.000 . 3.500 3.773 3.609 3.934 0.434 1 0 "[ .]" 1
512 1 7 VAL MG1 1 93 PRO QD 4.000 . 4.700 2.282 1.863 2.861 0.037 5 0 "[ .]" 1
513 1 7 VAL MG2 1 99 SER HA 2.700 . 3.100 2.981 2.806 3.153 0.053 4 0 "[ .]" 1
514 1 7 VAL MG1 1 99 SER HA 3.500 . 4.100 3.325 2.581 4.002 . 0 0 "[ .]" 1
515 1 7 VAL HA 1 90 TYR QE 5.000 . 5.800 5.635 5.480 5.801 0.001 4 0 "[ .]" 1
516 1 7 VAL MG1 1 100 THR HA 2.700 . 3.100 3.141 3.055 3.244 0.144 1 0 "[ .]" 1
517 1 7 VAL MG1 1 100 THR H 4.000 . 4.700 3.110 2.318 3.750 . 0 0 "[ .]" 1
518 1 7 VAL MG1 1 101 ALA H 3.000 . 3.500 3.395 3.134 3.597 0.097 5 0 "[ .]" 1
519 1 7 VAL HB 1 92 VAL MG1 2.400 . 2.700 1.836 1.805 1.905 0.095 5 0 "[ .]" 1
520 1 7 VAL H 1 92 VAL MG1 5.000 . 5.800 2.583 2.054 3.375 . 0 0 "[ .]" 1
521 1 7 VAL HA 1 93 PRO QG 5.000 . 5.800 5.220 4.939 5.634 . 0 0 "[ .]" 1
522 1 7 VAL HB 1 101 ALA MB 5.000 . 5.800 3.299 2.801 3.769 . 0 0 "[ .]" 1
523 1 7 VAL MG1 1 90 TYR QE 4.000 . 4.700 2.641 2.022 3.270 . 0 0 "[ .]" 1
524 1 7 VAL MG1 1 93 PRO QG 4.000 . 4.700 3.076 2.424 3.610 . 0 0 "[ .]" 1
525 1 7 VAL MG2 1 99 SER QB 5.000 . 5.800 3.112 1.893 3.579 0.007 4 0 "[ .]" 1
526 1 7 VAL MG1 1 101 ALA MB 5.000 . 5.800 1.773 1.683 1.863 0.217 1 0 "[ .]" 1
527 1 7 VAL MG2 1 92 VAL HB 5.000 . 5.800 4.064 3.923 4.312 . 0 0 "[ .]" 1
528 1 7 VAL MG2 1 90 TYR QD 5.000 . 5.800 5.581 5.155 5.825 0.025 4 0 "[ .]" 1
529 1 7 VAL MG2 1 93 PRO QG 5.000 . 5.800 2.473 2.229 2.873 . 0 0 "[ .]" 1
530 1 8 ALA HA 1 58 THR MG 5.000 . 5.800 4.303 3.800 4.687 . 0 0 "[ .]" 1
531 1 8 ALA HA 1 60 THR MG 5.000 . 5.800 3.046 2.755 3.210 . 0 0 "[ .]" 1
532 1 8 ALA HA 1 60 THR HA 3.500 . 4.100 2.009 1.848 2.143 0.052 1 0 "[ .]" 1
533 1 8 ALA HA 1 61 LEU H 3.000 . 3.500 3.255 2.822 3.536 0.036 3 0 "[ .]" 1
534 1 8 ALA MB 1 101 ALA H 5.000 . 5.800 3.801 3.721 3.891 . 0 0 "[ .]" 1
535 1 8 ALA MB 1 58 THR HB 4.000 . 4.700 3.879 3.636 4.226 . 0 0 "[ .]" 1
536 1 8 ALA H 1 100 THR HA 3.000 . 3.500 3.096 2.715 3.516 0.016 4 0 "[ .]" 1
537 1 8 ALA MB 1 58 THR MG 2.400 . 2.700 2.491 2.114 2.755 0.055 3 0 "[ .]" 1
538 1 8 ALA MB 1 100 THR HA 3.500 . 4.100 2.802 2.325 3.204 . 0 0 "[ .]" 1
539 1 9 VAL HA 1 101 ALA H 2.700 . 3.100 2.922 2.719 3.092 . 0 0 "[ .]" 1
540 1 9 VAL MG2 1 101 ALA H 4.000 . 4.700 4.246 4.030 4.536 . 0 0 "[ .]" 1
541 1 9 VAL MG1 1 101 ALA H 5.000 . 5.800 4.206 4.059 4.382 . 0 0 "[ .]" 1
542 1 9 VAL MG1 1 61 LEU HB3 5.000 . 5.800 5.604 4.980 5.895 0.095 3 0 "[ .]" 1
543 1 9 VAL MG1 1 101 ALA MB 2.400 . 2.700 1.842 1.791 1.919 0.109 4 0 "[ .]" 1
544 1 9 VAL H 1 59 VAL H 4.000 . 4.700 3.468 3.074 3.946 . 0 0 "[ .]" 1
545 1 9 VAL H 1 60 THR HA 2.700 . 3.100 3.275 3.214 3.356 0.256 2 0 "[ .]" 1
546 1 9 VAL H 1 61 LEU H 4.000 . 4.700 4.195 3.934 4.444 . 0 0 "[ .]" 1
547 1 9 VAL HA 1 101 ALA MB 5.000 . 5.800 1.842 1.812 1.900 0.088 4 0 "[ .]" 1
548 1 9 VAL HB 1 59 VAL H 5.000 . 5.800 3.838 3.580 4.322 . 0 0 "[ .]" 1
549 1 9 VAL HB 1 59 VAL HB 5.000 . 5.800 4.157 3.920 4.545 . 0 0 "[ .]" 1
550 1 9 VAL MG2 1 90 TYR QE 2.400 . 2.700 2.315 2.041 2.699 . 0 0 "[ .]" 1
551 1 9 VAL MG2 1 102 THR H 5.000 . 5.800 3.730 3.341 4.135 . 0 0 "[ .]" 1
552 1 9 VAL MG2 1 103 VAL H 5.000 . 5.800 5.901 5.861 5.964 0.164 3 0 "[ .]" 1
553 1 9 VAL MG1 1 90 TYR QE 2.400 . 2.700 2.885 2.836 2.925 0.225 4 0 "[ .]" 1
554 1 9 VAL MG2 1 90 TYR QD 3.000 . 3.500 2.321 2.055 2.576 . 0 0 "[ .]" 1
555 1 9 VAL MG1 1 90 TYR QD 3.000 . 3.500 2.661 2.534 2.728 . 0 0 "[ .]" 1
556 1 9 VAL MG2 1 103 VAL MG2 3.000 . 3.500 3.436 3.395 3.509 0.009 3 0 "[ .]" 1
557 1 9 VAL MG1 1 103 VAL MG1 5.000 . 5.800 3.449 3.392 3.541 . 0 0 "[ .]" 1
558 1 9 VAL HB 1 61 LEU MD1 3.500 . 4.100 2.464 1.879 2.765 0.021 5 0 "[ .]" 1
559 1 9 VAL MG2 1 61 LEU MD1 5.000 . 5.800 1.897 1.796 2.058 0.104 5 0 "[ .]" 1
560 1 10 THR HB 1 56 TYR QB 5.000 . 5.800 4.318 2.354 5.703 . 0 0 "[ .]" 1
561 1 10 THR MG 1 56 TYR QE . . 3.100 2.734 2.171 3.312 0.212 4 0 "[ .]" 1
562 1 10 THR HA 1 58 THR HA 2.400 . 2.700 1.896 1.851 2.000 0.049 5 0 "[ .]" 1
563 1 10 THR HA 1 58 THR MG 4.000 . 4.700 4.380 4.296 4.500 . 0 0 "[ .]" 1
564 1 10 THR HA 1 59 VAL H 3.500 . 4.100 3.538 3.401 3.643 . 0 0 "[ .]" 1
565 1 10 THR H 1 102 THR HA 3.500 . 4.100 2.866 2.311 3.622 . 0 0 "[ .]" 1
566 1 10 THR MG 1 57 VAL HA 5.000 . 5.800 3.564 2.957 3.946 . 0 0 "[ .]" 1
567 1 10 THR MG 1 56 TYR HA 5.000 . 5.800 4.433 4.219 4.631 . 0 0 "[ .]" 1
568 1 10 THR MG 1 56 TYR QB 5.000 . 5.800 3.724 2.612 4.624 . 0 0 "[ .]" 1
569 1 10 THR H 1 101 ALA H 4.000 . 4.700 3.557 3.288 4.022 . 0 0 "[ .]" 1
570 1 10 THR H 1 101 ALA MB 5.000 . 5.800 3.542 3.463 3.656 . 0 0 "[ .]" 1
571 1 10 THR H 1 102 THR MG 5.000 . 5.800 4.426 3.905 5.094 . 0 0 "[ .]" 1
572 1 10 THR HB 1 102 THR HA 5.000 . 5.800 4.453 4.063 4.981 . 0 0 "[ .]" 1
573 1 10 THR HB 1 103 VAL H 5.000 . 5.800 4.705 4.598 4.980 . 0 0 "[ .]" 1
574 1 11 PHE QD 1 25 LEU HG 5.000 . 5.800 4.571 2.857 5.075 . 0 0 "[ .]" 1
575 1 11 PHE QD 1 59 VAL H 4.000 . 4.700 3.668 3.487 3.996 . 0 0 "[ .]" 1
576 1 11 PHE QE 1 59 VAL H 4.000 . 4.700 2.143 1.864 3.176 0.036 4 0 "[ .]" 1
577 1 11 PHE QE 1 61 LEU MD2 5.000 . 5.800 4.683 4.415 5.041 . 0 0 "[ .]" 1
578 1 11 PHE QE 1 41 ILE MG 5.000 . 5.800 4.707 3.517 5.333 . 0 0 "[ .]" 1
579 1 11 PHE QE 1 43 LEU MD2 5.000 . 5.800 4.922 4.709 5.300 . 0 0 "[ .]" 1
580 1 11 PHE HA 1 103 VAL H 4.000 . 4.700 3.632 3.340 4.119 . 0 0 "[ .]" 1
581 1 11 PHE H 1 56 TYR HA 4.000 . 4.700 3.515 3.360 3.611 . 0 0 "[ .]" 1
582 1 11 PHE H 1 57 VAL H 3.000 . 3.500 1.872 1.805 1.923 0.095 3 0 "[ .]" 1
583 1 11 PHE H 1 57 VAL MG2 3.500 . 4.100 4.456 4.300 4.575 0.475 5 0 "[ .]" 1
584 1 11 PHE H 1 58 THR HA 3.000 . 3.500 3.640 3.582 3.735 0.235 4 0 "[ .]" 1
585 1 11 PHE H 1 59 VAL H 4.000 . 4.700 4.482 4.075 4.750 0.050 5 0 "[ .]" 1
586 1 11 PHE QE 1 25 LEU MD2 2.700 . 3.100 2.631 2.458 3.007 . 0 0 "[ .]" 1
587 1 11 PHE QE 1 25 LEU MD1 3.500 . 4.100 4.086 4.029 4.153 0.053 3 0 "[ .]" 1
588 1 11 PHE QE 1 61 LEU MD1 2.700 . 3.100 3.084 2.998 3.190 0.090 2 0 "[ .]" 1
589 1 11 PHE HZ 1 61 LEU MD1 2.400 . 2.700 2.669 2.425 2.783 0.083 3 0 "[ .]" 1
590 1 11 PHE QE 1 103 VAL MG1 3.500 . 4.100 2.873 2.413 3.445 . 0 0 "[ .]" 1
591 1 11 PHE QE 1 103 VAL MG2 3.000 . 3.500 2.732 2.123 3.119 . 0 0 "[ .]" 1
592 1 11 PHE QD 1 103 VAL MG1 2.400 . 2.700 1.903 1.853 2.025 0.047 1 0 "[ .]" 1
593 1 11 PHE QD 1 103 VAL MG2 3.500 . 4.100 3.320 3.007 3.580 . 0 0 "[ .]" 1
594 1 11 PHE QD 1 25 LEU MD1 3.500 . 4.100 3.895 3.311 4.107 0.007 5 0 "[ .]" 1
595 1 11 PHE QD 1 25 LEU MD2 2.700 . 3.100 2.342 1.998 2.552 . 0 0 "[ .]" 1
596 1 11 PHE QE 1 59 VAL QG 2.700 . 3.100 1.848 1.814 1.865 0.086 4 0 "[ .]" 1
597 1 11 PHE QE 1 59 VAL HB 2.700 . 3.100 1.876 1.836 1.889 0.064 4 0 "[ .]" 1
598 1 11 PHE HZ 1 25 LEU MD2 4.000 . 4.700 3.132 2.768 3.834 . 0 0 "[ .]" 1
599 1 11 PHE HZ 1 59 VAL QG 5.000 . 5.800 2.870 2.734 2.983 . 0 0 "[ .]" 1
600 1 11 PHE HZ 1 61 LEU MD2 5.000 . 5.800 3.934 3.574 4.440 . 0 0 "[ .]" 1
601 1 11 PHE QD 1 57 VAL MG2 3.000 . 3.500 3.645 3.577 3.774 0.274 4 0 "[ .]" 1
602 1 11 PHE QD 1 59 VAL QG 2.700 . 3.100 3.191 3.163 3.273 0.173 4 0 "[ .]" 1
603 1 11 PHE QD 1 103 VAL HB 2.700 . 3.100 2.089 1.921 2.341 . 0 0 "[ .]" 1
604 1 11 PHE HA 1 103 VAL HB 3.000 . 3.500 3.030 2.594 3.469 . 0 0 "[ .]" 1
605 1 11 PHE HA 1 103 VAL MG2 5.000 . 5.800 4.545 4.260 4.888 . 0 0 "[ .]" 1
606 1 12 ASP HA 1 55 TRP HB3 5.000 . 5.800 4.230 3.972 4.651 . 0 0 "[ .]" 1
607 1 12 ASP HA 1 56 TYR HA 2.700 . 3.100 2.751 2.370 3.129 0.029 4 0 "[ .]" 1
608 1 12 ASP HB3 1 104 THR HA 5.000 . 5.800 4.868 4.712 4.968 . 0 0 "[ .]" 1
609 1 12 ASP HB2 1 104 THR HA 3.500 . 4.100 4.164 4.129 4.191 0.091 1 0 "[ .]" 1
610 1 12 ASP HA 1 105 ASP H 5.000 . 5.800 4.445 4.302 4.572 . 0 0 "[ .]" 1
611 1 12 ASP HA 1 57 VAL H 5.000 . 5.800 4.280 4.029 4.575 . 0 0 "[ .]" 1
612 1 12 ASP HB2 1 55 TRP H 4.000 . 4.700 4.336 4.175 4.719 0.019 4 0 "[ .]" 1
613 1 12 ASP HB3 1 56 TYR QD 4.000 . 4.700 3.460 2.293 4.461 . 0 0 "[ .]" 1
614 1 12 ASP HB3 1 56 TYR QE 3.500 . 4.100 4.135 3.672 4.410 0.310 3 0 "[ .]" 1
615 1 12 ASP HB3 1 54 LEU QD . . 2.700 2.601 2.084 2.896 0.196 2 0 "[ .]" 1
616 1 12 ASP HB2 1 54 LEU QD 3.000 . 3.500 2.670 1.833 3.309 0.067 3 0 "[ .]" 1
617 1 12 ASP H 1 103 VAL HB 5.000 . 5.800 4.764 4.386 5.150 . 0 0 "[ .]" 1
618 1 12 ASP H 1 104 THR HA 3.500 . 4.100 2.798 2.584 3.037 . 0 0 "[ .]" 1
619 1 12 ASP HA 1 56 TYR QB 4.000 . 4.700 3.360 1.806 4.495 0.094 3 0 "[ .]" 1
620 1 12 ASP HA 1 54 LEU MD2 3.000 . 3.500 3.662 3.627 3.714 0.214 4 0 "[ .]" 1
621 1 12 ASP HA 1 55 TRP H 5.000 . 5.800 3.662 3.429 4.019 . 0 0 "[ .]" 1
622 1 12 ASP HB2 1 104 THR MG 3.000 . 3.500 3.449 3.187 3.526 0.026 4 0 "[ .]" 1
623 1 12 ASP HB3 1 104 THR MG 5.000 . 5.800 4.540 4.288 4.679 . 0 0 "[ .]" 1
624 1 12 ASP HB2 1 102 THR MG 5.000 . 5.800 5.855 5.812 5.902 0.102 2 0 "[ .]" 1
625 1 13 LEU H 1 54 LEU QD 5.000 . 5.800 3.946 3.283 4.283 . 0 0 "[ .]" 1
626 1 13 LEU H 1 55 TRP HB2 5.000 . 5.800 1.969 1.827 2.296 0.073 2 0 "[ .]" 1
627 1 13 LEU H 1 56 TYR QB 4.000 . 4.700 4.451 3.493 5.089 0.389 2 0 "[ .]" 1
628 1 13 LEU HA 1 55 TRP HB2 5.000 . 5.800 3.842 3.652 4.204 . 0 0 "[ .]" 1
629 1 13 LEU HB3 1 43 LEU MD2 5.000 . 5.800 5.377 5.041 5.723 . 0 0 "[ .]" 1
630 1 13 LEU HB3 1 55 TRP HB3 5.000 . 5.800 4.672 4.457 4.910 . 0 0 "[ .]" 1
631 1 13 LEU MD2 1 55 TRP HD1 3.500 . 4.100 3.065 2.481 3.701 . 0 0 "[ .]" 1
632 1 13 LEU MD1 1 105 ASP HA 5.000 . 5.800 3.509 3.408 3.636 . 0 0 "[ .]" 1
633 1 13 LEU MD2 1 55 TRP HH2 5.000 . 5.800 5.676 5.440 5.872 0.072 4 0 "[ .]" 1
634 1 13 LEU H 1 56 TYR HA 4.000 . 4.700 4.019 3.747 4.209 . 0 0 "[ .]" 1
635 1 13 LEU MD2 1 71 PHE HB2 4.000 . 4.700 3.201 2.759 3.686 . 0 0 "[ .]" 1
636 1 13 LEU MD2 1 105 ASP QB 3.500 . 4.100 3.638 3.419 3.824 . 0 0 "[ .]" 1
637 1 13 LEU MD1 1 105 ASP QB 2.400 . 2.700 1.818 1.742 1.887 0.158 4 0 "[ .]" 1
638 1 13 LEU MD1 1 105 ASP H 5.000 . 5.800 3.489 3.139 3.654 . 0 0 "[ .]" 1
639 1 13 LEU HA 1 105 ASP QB 5.000 . 5.800 3.385 3.219 3.616 . 0 0 "[ .]" 1
640 1 13 LEU MD1 1 107 TRP HE3 3.000 . 3.500 3.742 3.648 3.794 0.294 2 0 "[ .]" 1
641 1 13 LEU MD2 1 107 TRP HE3 2.400 . 2.700 2.537 2.340 2.763 0.063 1 0 "[ .]" 1
642 1 13 LEU MD1 1 107 TRP H 2.400 . 2.700 2.835 2.812 2.864 0.164 1 0 "[ .]" 1
643 1 13 LEU MD2 1 107 TRP H 5.000 . 5.800 4.106 3.996 4.266 . 0 0 "[ .]" 1
644 1 13 LEU MD1 1 107 TRP HA 2.700 . 3.100 3.413 3.359 3.437 0.337 3 0 "[ .]" 1
645 1 13 LEU MD2 1 107 TRP HA 4.000 . 4.700 3.866 3.731 4.054 . 0 0 "[ .]" 1
646 1 13 LEU MD1 1 107 TRP HB3 3.000 . 3.500 3.340 3.254 3.481 . 0 0 "[ .]" 1
647 1 13 LEU MD1 1 107 TRP HB2 3.500 . 4.100 2.684 2.582 2.805 . 0 0 "[ .]" 1
648 1 13 LEU MD1 1 106 THR MG 5.000 . 5.800 3.850 3.682 4.145 . 0 0 "[ .]" 1
649 1 13 LEU MD1 1 106 THR HA 2.700 . 3.100 2.535 2.288 2.980 . 0 0 "[ .]" 1
650 1 13 LEU MD2 1 106 THR HA 5.000 . 5.800 4.898 4.825 5.074 . 0 0 "[ .]" 1
651 1 13 LEU HG 1 106 THR MG 3.500 . 4.100 4.314 4.261 4.417 0.317 1 0 "[ .]" 1
652 1 13 LEU HB3 1 108 ARG H 5.000 . 5.800 4.926 4.786 5.015 . 0 0 "[ .]" 1
653 1 13 LEU MD1 1 108 ARG H 5.000 . 5.800 4.576 4.526 4.681 . 0 0 "[ .]" 1
654 1 13 LEU MD2 1 23 ILE MD 2.400 . 2.700 2.082 1.865 2.292 0.035 1 0 "[ .]" 1
655 1 13 LEU MD2 1 43 LEU QD 3.000 . 3.500 2.939 2.768 3.156 . 0 0 "[ .]" 1
656 1 14 THR H 1 106 THR HA 5.000 . 5.800 2.201 1.894 2.664 0.006 5 0 "[ .]" 1
657 1 14 THR HB 1 106 THR MG 3.500 . 4.100 3.404 3.053 3.644 . 0 0 "[ .]" 1
658 1 14 THR H 1 107 TRP H 5.000 . 5.800 2.804 2.358 3.102 . 0 0 "[ .]" 1
659 1 14 THR MG 1 53 PRO QD 4.000 . 4.700 3.332 3.084 3.588 . 0 0 "[ .]" 1
660 1 14 THR MG 1 53 PRO QB 3.500 . 4.100 4.388 4.308 4.470 0.370 1 0 "[ .]" 1
661 1 14 THR MG 1 53 PRO QG 3.000 . 3.500 3.535 3.504 3.601 0.101 1 0 "[ .]" 1
662 1 14 THR H 1 106 THR MG 5.000 . 5.800 3.434 3.176 3.701 . 0 0 "[ .]" 1
663 1 14 THR HA 1 53 PRO QG 5.000 . 5.800 3.389 3.034 3.779 . 0 0 "[ .]" 1
664 1 14 THR HA 1 55 TRP HD1 5.000 . 5.800 5.024 4.926 5.192 . 0 0 "[ .]" 1
665 1 14 THR HB 1 106 THR HA 4.000 . 4.700 4.400 3.841 4.719 0.019 4 0 "[ .]" 1
666 1 14 THR MG 1 108 ARG HB3 5.000 . 5.800 5.515 5.094 5.812 0.012 5 0 "[ .]" 1
667 1 15 ALA H 1 53 PRO QB 3.500 . 4.100 2.189 1.884 2.540 0.016 3 0 "[ .]" 1
668 1 15 ALA HA 1 53 PRO QB 5.000 . 5.800 3.832 3.650 3.975 . 0 0 "[ .]" 1
669 1 15 ALA HA 1 107 TRP H 5.000 . 5.800 4.212 3.990 4.393 . 0 0 "[ .]" 1
670 1 15 ALA HA 1 107 TRP HB2 5.000 . 5.800 5.644 5.033 5.844 0.044 1 0 "[ .]" 1
671 1 15 ALA HA 1 107 TRP HB3 5.000 . 5.800 3.919 3.297 4.105 . 0 0 "[ .]" 1
672 1 15 ALA HA 1 108 ARG H 3.000 . 3.500 3.035 2.719 3.201 . 0 0 "[ .]" 1
673 1 15 ALA MB 1 55 TRP HD1 2.700 . 3.100 2.868 2.313 3.101 0.001 3 0 "[ .]" 1
674 1 15 ALA MB 1 107 TRP HB2 3.500 2.400 4.000 3.023 2.835 3.092 . 0 0 "[ .]" 1
675 1 15 ALA MB 1 107 TRP HB3 2.400 . 2.700 1.686 1.675 1.701 0.225 5 0 "[ .]" 1
676 1 15 ALA MB 1 55 TRP HE1 4.000 . 4.700 3.281 2.428 3.594 . 0 0 "[ .]" 1
677 1 15 ALA MB 1 107 TRP HD1 3.500 . 4.100 1.837 1.736 1.963 0.164 1 0 "[ .]" 1
678 1 15 ALA MB 1 107 TRP HE3 4.000 . 4.700 4.650 4.424 4.748 0.048 3 0 "[ .]" 1
679 1 15 ALA MB 1 107 TRP H 3.000 . 3.500 2.770 2.512 3.265 . 0 0 "[ .]" 1
680 1 15 ALA MB 1 48 TYR QE 5.000 . 5.800 3.761 3.441 4.003 . 0 0 "[ .]" 1
681 1 15 ALA MB 1 53 PRO QG 5.000 . 5.800 4.465 4.068 4.840 . 0 0 "[ .]" 1
682 1 15 ALA H 1 55 TRP HD1 3.000 . 3.500 3.546 3.206 3.704 0.204 5 0 "[ .]" 1
683 1 16 THR HA 1 53 PRO QB 3.000 . 3.500 2.153 1.939 2.267 . 0 0 "[ .]" 1
684 1 16 THR HA 1 53 PRO QG 3.500 . 4.100 3.118 2.838 3.274 . 0 0 "[ .]" 1
685 1 16 THR HA 1 53 PRO HA 4.000 . 4.700 4.339 4.147 4.482 . 0 0 "[ .]" 1
686 1 16 THR HA 1 48 TYR QD 3.000 . 3.500 3.714 3.658 3.760 0.260 1 0 "[ .]" 1
687 1 16 THR HA 1 48 TYR QE 2.400 . 2.700 1.836 1.759 1.901 0.141 5 0 "[ .]" 1
688 1 16 THR HB 1 48 TYR QE 3.000 . 3.500 3.562 3.542 3.599 0.099 5 0 "[ .]" 1
689 1 16 THR MG 1 48 TYR QE 3.500 . 4.100 4.283 4.265 4.311 0.211 5 0 "[ .]" 1
690 1 16 THR MG 1 53 PRO QG 3.000 . 3.500 3.225 2.954 3.417 . 0 0 "[ .]" 1
691 1 17 THR H 1 48 TYR QE 2.700 . 3.100 3.382 3.291 3.450 0.350 5 0 "[ .]" 1
692 1 17 THR H 1 53 PRO QB 5.000 . 5.800 4.022 3.843 4.107 . 0 0 "[ .]" 1
693 1 17 THR HB 1 53 PRO QB 5.000 . 5.800 5.855 5.801 5.942 0.142 4 0 "[ .]" 1
694 1 21 GLU QB 1 75 GLU HA 3.000 . 3.500 3.250 2.664 3.527 0.027 1 0 "[ .]" 1
695 1 21 GLU QB 1 75 GLU QG 5.000 . 5.800 3.952 3.462 4.255 . 0 0 "[ .]" 1
696 1 22 ASN HA 1 48 TYR QE 5.000 . 5.800 6.109 6.049 6.183 0.383 5 0 "[ .]" 1
697 1 22 ASN HA 1 55 TRP HH2 2.700 . 3.100 2.115 1.928 2.245 . 0 0 "[ .]" 1
698 1 22 ASN HA 1 55 TRP HZ2 2.700 . 3.100 2.798 2.718 2.911 . 0 0 "[ .]" 1
699 1 22 ASN HA 1 55 TRP HZ3 3.500 . 4.100 4.012 3.825 4.125 0.025 1 0 "[ .]" 1
700 1 22 ASN H 1 74 ILE H 3.000 . 3.500 3.616 3.592 3.646 0.146 4 0 "[ .]" 1
701 1 22 ASN H 1 74 ILE HB 4.000 . 4.700 3.895 3.690 4.055 . 0 0 "[ .]" 1
702 1 22 ASN HB2 1 42 ALA MB 5.000 . 5.800 4.534 4.130 5.093 . 0 0 "[ .]" 1
703 1 22 ASN HB3 1 74 ILE HB 5.000 . 5.800 3.352 3.264 3.423 . 0 0 "[ .]" 1
704 1 22 ASN QD 1 42 ALA MB 5.000 . 5.800 3.073 2.349 3.946 . 0 0 "[ .]" 1
705 1 23 ILE HA 1 72 ILE H 5.000 . 5.800 4.108 3.996 4.249 . 0 0 "[ .]" 1
706 1 23 ILE HA 1 74 ILE H 4.000 . 4.700 3.086 2.986 3.172 . 0 0 "[ .]" 1
707 1 23 ILE HB 1 43 LEU HB3 5.000 . 5.800 4.278 4.176 4.410 . 0 0 "[ .]" 1
708 1 23 ILE HB 1 43 LEU HB2 5.000 . 5.800 3.029 2.953 3.125 . 0 0 "[ .]" 1
709 1 23 ILE HB 1 43 LEU HG 5.000 . 5.800 5.675 5.573 5.773 . 0 0 "[ .]" 1
710 1 23 ILE HB 1 55 TRP HZ3 5.000 . 5.800 4.356 4.257 4.444 . 0 0 "[ .]" 1
711 1 23 ILE QG 1 72 ILE H 5.000 . 5.800 4.580 4.461 4.707 . 0 0 "[ .]" 1
712 1 23 ILE QG 1 73 ARG QB 5.000 . 5.800 4.713 4.539 4.903 . 0 0 "[ .]" 1
713 1 23 ILE MG 1 43 LEU QB 5.000 . 5.800 3.315 3.080 3.509 . 0 0 "[ .]" 1
714 1 23 ILE MG 1 55 TRP HH2 5.000 . 5.800 5.919 5.878 5.965 0.165 4 0 "[ .]" 1
715 1 23 ILE MG 1 71 PHE HB2 5.000 . 5.800 2.109 2.019 2.340 . 0 0 "[ .]" 1
716 1 23 ILE MG 1 72 ILE H 5.000 . 5.800 2.530 2.359 2.728 . 0 0 "[ .]" 1
717 1 23 ILE MG 1 72 ILE QG 5.000 . 5.800 3.324 3.235 3.404 . 0 0 "[ .]" 1
718 1 23 ILE MD 1 55 TRP HD1 3.500 . 4.100 3.546 3.172 3.841 . 0 0 "[ .]" 1
719 1 23 ILE MD 1 55 TRP HE1 3.500 . 4.100 2.442 2.150 2.767 . 0 0 "[ .]" 1
720 1 23 ILE MD 1 55 TRP HH2 4.000 . 4.700 3.513 3.411 3.770 . 0 0 "[ .]" 1
721 1 23 ILE MD 1 55 TRP HZ2 5.000 . 5.800 2.575 2.430 2.823 . 0 0 "[ .]" 1
722 1 23 ILE HB 1 55 TRP HE3 3.500 . 4.100 3.734 3.534 3.805 . 0 0 "[ .]" 1
723 1 23 ILE MD 1 55 TRP HZ3 4.000 . 4.700 4.188 4.065 4.465 . 0 0 "[ .]" 1
724 1 23 ILE MG 1 71 PHE QD 3.500 . 4.100 2.409 2.094 2.976 . 0 0 "[ .]" 1
725 1 23 ILE MG 1 71 PHE HB3 4.000 . 4.700 3.417 3.309 3.662 . 0 0 "[ .]" 1
726 1 23 ILE H 1 55 TRP HH2 3.000 . 3.500 2.744 2.712 2.759 . 0 0 "[ .]" 1
727 1 23 ILE H 1 55 TRP HE3 4.000 . 4.700 4.090 4.007 4.159 . 0 0 "[ .]" 1
728 1 23 ILE H 1 55 TRP HZ2 4.000 . 4.700 3.304 3.225 3.406 . 0 0 "[ .]" 1
729 1 23 ILE H 1 55 TRP HZ3 2.700 . 3.100 3.206 3.164 3.258 0.158 2 0 "[ .]" 1
730 1 23 ILE MG 1 43 LEU MD1 2.400 . 2.700 2.402 2.173 2.644 . 0 0 "[ .]" 1
731 1 23 ILE MG 1 107 TRP HE3 3.500 . 4.100 2.167 2.055 2.365 . 0 0 "[ .]" 1
732 1 23 ILE MD 1 107 TRP HE3 3.000 . 3.500 3.634 3.609 3.671 0.171 4 0 "[ .]" 1
733 1 23 ILE MD 1 43 LEU MD1 4.000 . 4.700 4.731 4.627 4.793 0.093 4 0 "[ .]" 1
734 1 23 ILE MD 1 43 LEU MD2 4.000 . 4.700 4.741 4.658 4.783 0.083 1 0 "[ .]" 1
735 1 23 ILE MD 1 73 ARG HA 5.000 . 5.800 4.686 4.599 4.831 . 0 0 "[ .]" 1
736 1 23 ILE MD 1 107 TRP HZ3 5.000 . 5.800 4.141 4.105 4.195 . 0 0 "[ .]" 1
737 1 24 TYR QD 1 41 ILE HA 2.700 . 3.100 3.317 3.254 3.436 0.336 3 0 "[ .]" 1
738 1 24 TYR QD 1 42 ALA HA 2.400 . 2.700 2.687 2.530 2.736 0.036 1 0 "[ .]" 1
739 1 24 TYR QD 1 42 ALA MB 2.400 . 2.700 2.859 2.747 2.908 0.208 1 0 "[ .]" 1
740 1 24 TYR QD 1 43 LEU MD1 4.000 . 4.700 4.002 3.974 4.047 . 0 0 "[ .]" 1
741 1 24 TYR QD 1 74 ILE HB 2.400 . 2.700 2.240 2.192 2.358 . 0 0 "[ .]" 1
742 1 24 TYR QD 1 74 ILE MG 2.700 . 3.100 3.349 3.309 3.406 0.306 3 0 "[ .]" 1
743 1 24 TYR QD 1 74 ILE MD 2.400 . 2.700 2.294 1.848 2.433 0.052 3 0 "[ .]" 1
744 1 24 TYR QD 1 72 ILE QG 3.500 . 4.100 4.123 3.832 4.214 0.114 1 0 "[ .]" 1
745 1 24 TYR HA 1 42 ALA MB 4.000 . 4.700 3.527 3.467 3.595 . 0 0 "[ .]" 1
746 1 24 TYR HA 1 43 LEU MD1 5.000 . 5.800 1.836 1.808 1.858 0.092 4 0 "[ .]" 1
747 1 24 TYR HA 1 42 ALA HA 2.400 . 2.700 1.808 1.790 1.856 0.110 2 0 "[ .]" 1
748 1 24 TYR QD 1 43 LEU H 3.000 . 3.500 3.763 3.676 3.921 0.421 3 0 "[ .]" 1
749 1 24 TYR HA 1 43 LEU H 3.500 . 4.100 2.372 2.213 2.486 . 0 0 "[ .]" 1
750 1 24 TYR QD 1 42 ALA H 2.400 . 2.700 2.691 2.629 2.726 0.026 1 0 "[ .]" 1
751 1 24 TYR HA 1 72 ILE MD 5.000 . 5.800 3.871 3.780 4.010 . 0 0 "[ .]" 1
752 1 24 TYR HB2 1 72 ILE MD 3.500 . 4.100 1.838 1.829 1.855 0.071 5 0 "[ .]" 1
753 1 24 TYR HB3 1 72 ILE MD 3.000 . 3.500 2.038 1.849 2.237 0.051 3 0 "[ .]" 1
754 1 24 TYR HB3 1 72 ILE QG 4.000 . 4.700 3.205 2.887 3.340 . 0 0 "[ .]" 1
755 1 24 TYR HB2 1 72 ILE QG 4.000 . 4.700 2.341 2.037 2.451 . 0 0 "[ .]" 1
756 1 24 TYR QD 1 74 ILE H 3.000 . 3.500 3.521 3.404 3.658 0.158 3 0 "[ .]" 1
757 1 24 TYR H 1 43 LEU MD2 5.000 . 5.800 5.614 5.288 5.744 . 0 0 "[ .]" 1
758 1 24 TYR H 1 72 ILE QG 5.000 . 5.800 2.715 2.363 2.844 . 0 0 "[ .]" 1
759 1 24 TYR H 1 72 ILE MD 5.000 . 5.800 3.535 3.506 3.574 . 0 0 "[ .]" 1
760 1 24 TYR H 1 73 ARG HA 5.000 . 5.800 4.313 4.233 4.411 . 0 0 "[ .]" 1
761 1 24 TYR HA 1 43 LEU HB3 5.000 . 5.800 5.181 5.151 5.200 . 0 0 "[ .]" 1
762 1 24 TYR HB2 1 74 ILE HB 5.000 . 5.800 3.778 3.721 3.919 . 0 0 "[ .]" 1
763 1 24 TYR QD 1 41 ILE H 5.000 . 5.800 3.496 3.458 3.579 . 0 0 "[ .]" 1
764 1 24 TYR QD 1 72 ILE MD 5.000 . 5.800 3.426 3.348 3.506 . 0 0 "[ .]" 1
765 1 25 LEU H 1 43 LEU MD1 2.700 . 3.100 2.881 2.735 3.100 0.000 3 0 "[ .]" 1
766 1 25 LEU H 1 41 ILE HB 3.500 . 4.100 3.742 3.390 3.996 . 0 0 "[ .]" 1
767 1 25 LEU H 1 41 ILE MG 5.000 . 5.800 4.378 4.290 4.533 . 0 0 "[ .]" 1
768 1 25 LEU H 1 42 ALA HA 4.000 . 4.700 3.711 3.578 3.830 . 0 0 "[ .]" 1
769 1 25 LEU H 1 41 ILE H 3.500 . 4.100 2.022 1.857 2.170 0.043 3 0 "[ .]" 1
770 1 25 LEU H 1 43 LEU H 5.000 . 5.800 4.884 4.659 4.995 . 0 0 "[ .]" 1
771 1 25 LEU HA 1 71 PHE HA 5.000 . 5.800 2.609 2.449 2.793 . 0 0 "[ .]" 1
772 1 25 LEU MD1 1 71 PHE HA 4.000 . 4.700 2.868 2.251 3.154 . 0 0 "[ .]" 1
773 1 25 LEU MD2 1 32 LEU QD 3.500 . 4.100 2.687 1.884 3.657 0.016 4 0 "[ .]" 1
774 1 25 LEU MD1 1 32 LEU QD 3.000 . 3.500 3.099 2.366 3.419 . 0 0 "[ .]" 1
775 1 25 LEU MD1 1 41 ILE HB 5.000 . 5.800 5.268 4.237 5.847 0.047 4 0 "[ .]" 1
776 1 25 LEU MD2 1 41 ILE HB 3.500 . 4.100 4.030 3.794 4.227 0.127 3 0 "[ .]" 1
777 1 25 LEU MD1 1 43 LEU MD1 3.500 . 4.100 3.767 3.400 4.080 . 0 0 "[ .]" 1
778 1 25 LEU MD2 1 43 LEU MD1 3.000 . 3.500 3.058 2.979 3.138 . 0 0 "[ .]" 1
779 1 25 LEU HB2 1 43 LEU MD1 2.700 . 3.100 2.069 1.917 2.199 . 0 0 "[ .]" 1
780 1 25 LEU HB2 1 70 LYS H 5.000 . 5.800 5.690 5.294 5.845 0.045 2 0 "[ .]" 1
781 1 25 LEU HG 1 69 TYR QB 5.000 . 5.800 3.950 3.693 4.070 . 0 0 "[ .]" 1
782 1 25 LEU MD1 1 69 TYR QD 2.700 . 3.100 3.152 3.123 3.183 0.083 3 0 "[ .]" 1
783 1 25 LEU MD2 1 69 TYR QD 5.000 . 5.800 3.279 2.570 3.663 . 0 0 "[ .]" 1
784 1 25 LEU MD1 1 69 TYR HA 4.000 . 4.700 3.849 3.563 4.236 . 0 0 "[ .]" 1
785 1 25 LEU MD1 1 69 TYR QB 3.000 . 3.500 2.089 1.863 2.437 0.037 5 0 "[ .]" 1
786 1 26 VAL MG2 1 82 TRP HH2 2.700 . 3.100 2.276 1.915 3.007 . 0 0 "[ .]" 1
787 1 26 VAL MG1 1 82 TRP HH2 2.400 . 2.700 2.050 1.892 2.103 0.008 5 0 "[ .]" 1
788 1 26 VAL MG2 1 82 TRP HZ3 5.000 . 5.800 3.529 3.288 3.923 . 0 0 "[ .]" 1
789 1 26 VAL MG1 1 35 TRP HZ3 2.400 . 2.700 2.037 1.920 2.132 . 0 0 "[ .]" 1
790 1 26 VAL MG2 1 35 TRP HZ3 3.500 . 4.100 2.877 2.746 3.028 . 0 0 "[ .]" 1
791 1 26 VAL MG2 1 72 ILE MD 5.000 . 5.800 4.105 3.979 4.218 . 0 0 "[ .]" 1
792 1 26 VAL MG1 1 72 ILE MD 5.000 . 5.800 2.534 2.380 2.727 . 0 0 "[ .]" 1
793 1 26 VAL MG2 1 82 TRP HE3 5.000 . 5.800 5.332 5.137 5.555 . 0 0 "[ .]" 1
794 1 26 VAL MG2 1 72 ILE MG 5.000 . 5.800 4.474 4.343 4.593 . 0 0 "[ .]" 1
795 1 26 VAL MG1 1 72 ILE MG 5.000 . 5.800 2.373 2.290 2.493 . 0 0 "[ .]" 1
796 1 26 VAL H 1 70 LYS H 3.500 . 4.100 3.746 3.646 3.852 . 0 0 "[ .]" 1
797 1 26 VAL H 1 71 PHE HA 4.000 . 4.700 3.891 3.807 3.934 . 0 0 "[ .]" 1
798 1 26 VAL HA 1 32 LEU HB2 5.000 . 5.800 3.498 3.431 3.545 . 0 0 "[ .]" 1
799 1 26 VAL HA 1 40 GLY QA 5.000 . 5.800 2.373 2.113 2.644 . 0 0 "[ .]" 1
800 1 26 VAL HB 1 35 TRP H 5.000 . 5.800 5.626 5.573 5.705 . 0 0 "[ .]" 1
801 1 26 VAL HB 1 35 TRP HE3 5.000 . 5.800 4.098 3.977 4.200 . 0 0 "[ .]" 1
802 1 26 VAL HB 1 35 TRP HZ3 5.000 . 5.800 4.484 4.281 4.631 . 0 0 "[ .]" 1
803 1 26 VAL MG1 1 35 TRP HA 2.700 . 3.100 3.060 3.021 3.085 . 0 0 "[ .]" 1
804 1 26 VAL MG2 1 35 TRP HA 3.000 . 3.500 1.764 1.748 1.773 0.152 5 0 "[ .]" 1
805 1 26 VAL MG2 1 35 TRP H 3.500 . 4.100 3.076 3.039 3.123 . 0 0 "[ .]" 1
806 1 26 VAL MG1 1 35 TRP H 4.000 . 4.700 5.153 5.124 5.180 0.480 5 0 "[ .]" 1
807 1 26 VAL MG2 1 35 TRP HE3 2.400 . 2.700 1.921 1.843 2.024 0.057 4 0 "[ .]" 1
808 1 26 VAL MG1 1 35 TRP HE3 3.500 . 4.100 1.826 1.774 1.870 0.126 4 0 "[ .]" 1
809 1 26 VAL HB 1 35 TRP HA 3.500 . 4.100 4.335 4.325 4.343 0.243 3 0 "[ .]" 1
810 1 26 VAL HB 1 72 ILE MG 3.500 . 4.100 4.037 3.553 4.190 0.090 1 0 "[ .]" 1
811 1 26 VAL HB 1 82 TRP HH2 4.000 . 4.700 3.735 3.498 4.422 . 0 0 "[ .]" 1
812 1 26 VAL MG1 1 37 THR HA 2.400 . 2.700 2.755 2.692 2.814 0.114 5 0 "[ .]" 1
813 1 26 VAL MG2 1 37 THR HA 2.700 . 3.100 3.474 3.416 3.539 0.439 2 0 "[ .]" 1
814 1 26 VAL MG1 1 37 THR MG 4.000 . 4.700 3.979 3.853 4.101 . 0 0 "[ .]" 1
815 1 26 VAL MG2 1 37 THR MG 4.000 . 4.700 4.643 4.526 4.740 0.040 4 0 "[ .]" 1
816 1 26 VAL MG1 1 40 GLY QA 3.000 . 3.500 3.698 3.656 3.729 0.229 2 0 "[ .]" 1
817 1 27 GLY QA 1 32 LEU QD 4.000 . 4.700 1.976 1.799 2.131 0.101 1 0 "[ .]" 1
818 1 27 GLY QA 1 35 TRP HH2 3.500 . 4.100 2.371 2.337 2.403 . 0 0 "[ .]" 1
819 1 27 GLY QA 1 35 TRP HZ3 4.000 . 4.700 2.866 2.826 2.942 . 0 0 "[ .]" 1
820 1 27 GLY QA 1 69 TYR QD 5.000 . 5.800 2.564 2.122 2.905 . 0 0 "[ .]" 1
821 1 27 GLY QA 1 69 TYR HA 3.500 . 4.100 2.193 1.971 2.376 . 0 0 "[ .]" 1
822 1 27 GLY QA 1 70 LYS H 5.000 . 5.800 3.151 3.081 3.209 . 0 0 "[ .]" 1
823 1 27 GLY H 1 35 TRP H 4.000 . 4.700 4.707 4.685 4.717 0.017 4 0 "[ .]" 1
824 1 27 GLY H 1 32 LEU HB2 3.500 . 4.100 1.973 1.927 2.006 . 0 0 "[ .]" 1
825 1 27 GLY H 1 32 LEU HB3 5.000 . 5.800 1.844 1.823 1.854 0.077 4 0 "[ .]" 1
826 1 27 GLY H 1 32 LEU QD 5.000 . 5.800 3.214 2.829 3.441 . 0 0 "[ .]" 1
827 1 28 SER H 1 35 TRP HZ2 3.500 . 4.100 3.044 3.026 3.076 . 0 0 "[ .]" 1
828 1 28 SER H 1 67 PHE QB 5.000 . 5.800 4.077 3.887 4.227 . 0 0 "[ .]" 1
829 1 28 SER H 1 68 GLU H 3.500 . 4.100 3.272 3.172 3.413 . 0 0 "[ .]" 1
830 1 28 SER H 1 69 TYR HA 3.500 . 4.100 3.237 3.074 3.412 . 0 0 "[ .]" 1
831 1 28 SER HA 1 35 TRP HZ2 2.400 . 2.700 2.376 2.314 2.485 . 0 0 "[ .]" 1
832 1 28 SER HA 1 35 TRP HH2 3.500 . 4.100 4.251 4.234 4.285 0.185 1 0 "[ .]" 1
833 1 28 SER HA 1 68 GLU QB 5.000 . 5.800 4.457 4.020 4.802 . 0 0 "[ .]" 1
834 1 29 ILE MG 1 68 GLU H 4.000 . 4.700 3.552 3.411 3.871 . 0 0 "[ .]" 1
835 1 29 ILE MG 1 67 PHE QB 2.700 . 3.100 3.180 3.143 3.201 0.101 5 0 "[ .]" 1
836 1 29 ILE MD 1 67 PHE QB 3.000 . 3.500 3.186 2.976 3.512 0.012 1 0 "[ .]" 1
837 1 29 ILE H 1 34 ASP H 3.500 . 4.100 4.129 4.017 4.198 0.098 4 0 "[ .]" 1
838 1 29 ILE MD 1 65 GLU QG 4.000 . 4.700 4.665 4.537 4.738 0.038 5 0 "[ .]" 1
839 1 29 ILE MG 1 67 PHE QD 3.000 . 3.500 1.864 1.829 1.900 0.071 5 0 "[ .]" 1
840 1 31 GLN HA 1 61 LEU MD2 4.000 . 4.700 4.475 4.096 4.744 0.044 4 0 "[ .]" 1
841 1 31 GLN HB2 1 61 LEU MD2 3.000 . 3.500 2.535 2.194 2.867 . 0 0 "[ .]" 1
842 1 31 GLN HB3 1 62 PRO QD 4.000 . 4.700 4.224 3.882 4.709 0.009 4 0 "[ .]" 1
843 1 31 GLN QG 1 61 LEU MD2 4.000 . 4.700 2.479 2.274 2.713 . 0 0 "[ .]" 1
844 1 31 GLN QE 1 62 PRO QD 4.000 . 4.700 3.933 3.508 4.466 . 0 0 "[ .]" 1
845 1 32 LEU HA 1 41 ILE MD 5.000 . 5.800 3.684 3.283 4.275 . 0 0 "[ .]" 1
846 1 32 LEU QD 1 41 ILE HB 4.000 . 4.700 3.304 2.237 4.674 . 0 0 "[ .]" 1
847 1 32 LEU QD 1 61 LEU MD2 3.000 . 3.500 2.307 1.841 3.733 0.233 4 0 "[ .]" 1
848 1 32 LEU QD 1 69 TYR QD 2.400 . 2.700 2.023 1.733 2.394 0.167 4 0 "[ .]" 1
849 1 32 LEU QD 1 69 TYR HA 4.000 . 4.700 4.275 3.467 4.723 0.023 3 0 "[ .]" 1
850 1 32 LEU HG 1 41 ILE H 5.000 . 5.800 5.766 5.253 5.949 0.149 2 0 "[ .]" 1
851 1 32 LEU HG 1 41 ILE HB 5.000 . 5.800 5.171 4.672 5.703 . 0 0 "[ .]" 1
852 1 32 LEU HG 1 41 ILE QG 5.000 . 5.800 4.657 4.068 5.437 . 0 0 "[ .]" 1
853 1 32 LEU HG 1 69 TYR QE 3.500 . 4.100 3.786 1.970 4.301 0.201 2 0 "[ .]" 1
854 1 32 LEU QD 1 41 ILE H 4.000 . 4.700 4.020 2.823 4.785 0.085 1 0 "[ .]" 1
855 1 32 LEU QD 1 41 ILE QG 4.000 . 4.700 2.811 1.860 4.507 0.040 3 0 "[ .]" 1
856 1 32 LEU QD 1 41 ILE MD 5.000 . 5.800 2.929 2.130 4.135 . 0 0 "[ .]" 1
857 1 32 LEU QD 1 69 TYR QB 5.000 . 5.800 3.058 2.657 3.688 . 0 0 "[ .]" 1
858 1 32 LEU H 1 59 VAL QG 3.500 . 4.100 4.276 4.226 4.339 0.239 1 0 "[ .]" 1
859 1 33 GLY QA 1 39 ASP HB3 . . 4.700 2.559 1.888 3.285 0.012 5 0 "[ .]" 1
860 1 33 GLY QA 1 39 ASP HB2 3.500 . 4.100 3.163 2.462 4.058 . 0 0 "[ .]" 1
861 1 33 GLY H 1 39 ASP HB3 5.000 . 5.800 5.045 4.293 5.827 0.027 3 0 "[ .]" 1
862 1 33 GLY QA 1 39 ASP H 5.000 . 5.800 4.671 4.309 5.034 . 0 0 "[ .]" 1
863 1 35 TRP HH2 1 68 GLU QB 4.000 . 4.700 4.088 3.803 4.327 . 0 0 "[ .]" 1
864 1 35 TRP HH2 1 70 LYS QB 3.500 . 4.100 3.876 3.102 4.123 0.023 2 0 "[ .]" 1
865 1 35 TRP HZ2 1 68 GLU QB 3.000 . 3.500 3.063 2.587 3.542 0.042 2 0 "[ .]" 1
866 1 35 TRP HZ2 1 68 GLU QG 5.000 . 5.800 4.932 4.291 5.583 . 0 0 "[ .]" 1
867 1 35 TRP HZ2 1 69 TYR HA 4.000 . 4.700 3.627 3.500 3.758 . 0 0 "[ .]" 1
868 1 35 TRP HZ3 1 69 TYR HA 3.500 . 4.100 3.662 3.531 3.892 . 0 0 "[ .]" 1
869 1 35 TRP HH2 1 69 TYR QB 4.000 . 4.700 3.661 3.165 4.008 . 0 0 "[ .]" 1
870 1 35 TRP HZ2 1 87 ASN QD 3.000 . 3.500 3.582 3.532 3.643 0.143 1 0 "[ .]" 1
871 1 35 TRP HZ3 1 70 LYS H 3.000 . 3.500 3.111 2.806 3.345 . 0 0 "[ .]" 1
872 1 35 TRP HA 1 82 TRP HZ3 4.000 . 4.700 3.966 3.475 4.709 0.009 3 0 "[ .]" 1
873 1 35 TRP HA 1 82 TRP HH2 5.000 . 5.800 3.068 2.691 3.553 . 0 0 "[ .]" 1
874 1 35 TRP HE3 1 82 TRP HH2 4.000 . 4.700 2.379 2.209 2.683 . 0 0 "[ .]" 1
875 1 35 TRP HZ2 1 87 ASN HB2 5.000 . 5.800 5.339 4.934 5.512 . 0 0 "[ .]" 1
876 1 35 TRP HZ3 1 70 LYS QB 5.000 . 5.800 4.079 3.196 4.336 . 0 0 "[ .]" 1
877 1 35 TRP HH2 1 69 TYR H 4.000 . 4.700 4.411 4.145 4.531 . 0 0 "[ .]" 1
878 1 35 TRP HH2 1 70 LYS H 4.000 . 4.700 2.957 2.470 3.348 . 0 0 "[ .]" 1
879 1 35 TRP HH2 1 87 ASN HB3 5.000 . 5.800 4.179 3.844 4.705 . 0 0 "[ .]" 1
880 1 35 TRP HH2 1 87 ASN QD 5.000 . 5.800 3.585 3.101 3.867 . 0 0 "[ .]" 1
881 1 37 THR HA 1 72 ILE MD 2.400 . 2.700 2.011 1.833 2.228 0.067 3 0 "[ .]" 1
882 1 37 THR HA 1 82 TRP HZ2 5.000 . 5.800 3.278 2.992 4.117 . 0 0 "[ .]" 1
883 1 37 THR MG 1 82 TRP HZ2 2.400 . 2.700 1.870 1.833 1.889 0.067 4 0 "[ .]" 1
884 1 37 THR MG 1 72 ILE MG 2.400 . 2.700 2.843 2.785 2.877 0.177 4 0 "[ .]" 1
885 1 37 THR MG 1 82 TRP HZ3 5.000 . 5.800 5.581 5.530 5.612 . 0 0 "[ .]" 1
886 1 37 THR MG 1 82 TRP HH2 5.000 . 5.800 4.092 4.032 4.116 . 0 0 "[ .]" 1
887 1 41 ILE MD 1 59 VAL HB 4.000 . 4.700 4.427 4.012 4.710 0.010 3 0 "[ .]" 1
888 1 43 LEU HA 1 57 VAL MG1 5.000 . 5.800 3.571 3.493 3.707 . 0 0 "[ .]" 1
889 1 43 LEU HA 1 57 VAL MG2 5.000 . 5.800 1.639 1.613 1.675 0.287 3 0 "[ .]" 1
890 1 43 LEU MD1 1 57 VAL HB 3.000 . 3.500 3.560 3.526 3.597 0.097 4 0 "[ .]" 1
891 1 43 LEU MD2 1 57 VAL HB 3.500 . 4.100 2.560 2.160 3.338 . 0 0 "[ .]" 1
892 1 43 LEU HB2 1 55 TRP HE3 2.400 . 2.700 2.349 2.287 2.457 . 0 0 "[ .]" 1
893 1 43 LEU HB3 1 55 TRP HE3 2.700 . 3.100 1.914 1.855 2.128 0.045 2 0 "[ .]" 1
894 1 43 LEU MD1 1 55 TRP HE3 4.000 . 4.700 4.142 4.065 4.250 . 0 0 "[ .]" 1
895 1 43 LEU HG 1 55 TRP HE3 4.000 . 4.700 4.480 4.389 4.684 . 0 0 "[ .]" 1
896 1 43 LEU MD1 1 55 TRP HH2 5.000 . 5.800 5.976 5.958 5.989 0.189 2 0 "[ .]" 1
897 1 43 LEU MD2 1 55 TRP HE3 3.000 . 3.500 3.347 3.261 3.482 . 0 0 "[ .]" 1
898 1 43 LEU MD2 1 55 TRP HB3 3.000 . 3.500 2.671 2.347 3.010 . 0 0 "[ .]" 1
899 1 43 LEU MD2 1 55 TRP HB2 5.000 . 5.800 3.172 2.938 3.464 . 0 0 "[ .]" 1
900 1 43 LEU HB2 1 55 TRP HB2 4.000 . 4.700 4.646 4.526 4.739 0.039 4 0 "[ .]" 1
901 1 43 LEU HB2 1 56 TYR H 3.500 . 4.100 4.074 3.927 4.152 0.052 2 0 "[ .]" 1
902 1 43 LEU HG 1 57 VAL HB 3.000 . 3.500 2.219 2.052 2.537 . 0 0 "[ .]" 1
903 1 43 LEU MD2 1 56 TYR HA 3.000 . 3.500 3.010 1.973 3.578 0.078 5 0 "[ .]" 1
904 1 44 SER H 1 56 TYR H 3.500 . 4.100 2.429 2.262 2.764 . 0 0 "[ .]" 1
905 1 44 SER H 1 57 VAL HB 5.000 . 5.800 4.659 4.325 5.257 . 0 0 "[ .]" 1
906 1 44 SER H 1 57 VAL MG1 4.000 . 4.700 4.975 4.889 5.058 0.358 3 0 "[ .]" 1
907 1 44 SER H 1 57 VAL MG2 5.000 . 5.800 2.394 2.258 2.652 . 0 0 "[ .]" 1
908 1 44 SER H 1 55 TRP HE3 3.500 . 4.100 2.356 2.226 2.517 . 0 0 "[ .]" 1
909 1 44 SER HA 1 55 TRP HZ3 4.000 . 4.700 2.444 2.381 2.499 . 0 0 "[ .]" 1
910 1 44 SER HB2 1 55 TRP HH2 5.000 . 5.800 6.195 6.088 6.267 0.467 5 0 "[ .]" 1
911 1 45 ALA MB 1 55 TRP HZ3 4.000 . 4.700 4.428 4.370 4.448 . 0 0 "[ .]" 1
912 1 45 ALA MB 1 55 TRP HZ2 3.500 . 4.100 3.923 3.738 4.075 . 0 0 "[ .]" 1
913 1 45 ALA MB 1 55 TRP HH2 3.500 . 4.100 4.297 4.184 4.381 0.281 5 0 "[ .]" 1
914 1 45 ALA MB 1 55 TRP H 5.000 . 5.800 4.961 4.684 5.048 . 0 0 "[ .]" 1
915 1 46 ASP H 1 56 TYR QE 4.000 . 4.700 5.005 4.774 5.207 0.507 5 1 "[ +]" 1
916 1 47 LYS QD 1 56 TYR QE 2.400 . 2.700 2.634 2.469 2.711 0.011 5 0 "[ .]" 1
917 1 47 LYS QD 1 56 TYR QD 5.000 . 5.800 4.367 4.078 4.525 . 0 0 "[ .]" 1
918 1 47 LYS H 1 56 TYR QE 3.500 . 4.100 3.458 3.159 3.991 . 0 0 "[ .]" 1
919 1 47 LYS H 1 56 TYR QD 5.000 . 5.800 3.326 2.309 4.798 . 0 0 "[ .]" 1
920 1 47 LYS HA 1 56 TYR QE 4.000 . 4.700 4.737 4.712 4.761 0.061 2 0 "[ .]" 1
921 1 47 LYS QB 1 56 TYR QE 3.000 . 3.500 1.936 1.872 2.012 0.028 2 0 "[ .]" 1
922 1 47 LYS QG 1 56 TYR QE 3.500 . 4.100 3.799 3.558 4.043 . 0 0 "[ .]" 1
923 1 47 LYS QB 1 54 LEU QD 2.700 . 3.100 2.335 1.808 3.153 0.092 2 0 "[ .]" 1
924 1 47 LYS QG 1 54 LEU QD 3.000 . 3.500 3.422 3.174 3.520 0.020 5 0 "[ .]" 1
925 1 48 TYR QE 1 53 PRO HA 3.000 . 3.500 3.611 3.553 3.667 0.167 2 0 "[ .]" 1
926 1 48 TYR QE 1 53 PRO QB 3.500 . 4.100 2.158 2.094 2.267 . 0 0 "[ .]" 1
927 1 48 TYR QE 1 53 PRO QG 3.000 . 3.500 3.767 3.736 3.815 0.315 5 0 "[ .]" 1
928 1 48 TYR QE 1 55 TRP HD1 2.700 . 3.100 3.449 3.348 3.569 0.469 3 0 "[ .]" 1
929 1 48 TYR QD 1 53 PRO QB 5.000 . 5.800 2.330 2.177 2.518 . 0 0 "[ .]" 1
930 1 48 TYR QD 1 53 PRO QG 4.000 . 4.700 4.136 4.059 4.243 . 0 0 "[ .]" 1
931 1 48 TYR QD 1 53 PRO HA 2.700 . 3.100 1.787 1.747 1.829 0.153 4 0 "[ .]" 1
932 1 48 TYR QD 1 55 TRP HE1 2.700 . 3.100 2.772 2.288 3.106 0.006 2 0 "[ .]" 1
933 1 48 TYR QD 1 55 TRP HD1 2.400 . 2.700 2.795 2.720 2.842 0.142 2 0 "[ .]" 1
934 1 48 TYR QD 1 55 TRP HH2 5.000 . 5.800 5.791 5.631 5.868 0.068 1 0 "[ .]" 1
935 1 61 LEU MD2 1 69 TYR QD 3.500 . 4.100 3.672 3.426 3.929 . 0 0 "[ .]" 1
936 1 61 LEU MD1 1 69 TYR QD 2.400 . 2.700 2.965 2.864 3.039 0.339 5 0 "[ .]" 1
937 1 61 LEU MD1 1 90 TYR QD 2.400 . 2.700 2.807 2.744 2.890 0.190 5 0 "[ .]" 1
938 1 64 GLY H 1 92 VAL HB 3.500 . 4.100 3.601 3.316 4.045 . 0 0 "[ .]" 1
939 1 64 GLY H 1 92 VAL MG2 4.000 . 4.700 4.510 3.966 4.882 0.182 1 0 "[ .]" 1
940 1 64 GLY H 1 92 VAL MG1 4.000 . 4.700 2.414 1.880 2.857 0.020 2 0 "[ .]" 1
941 1 65 GLU H 1 92 VAL H 3.500 . 4.100 1.881 1.863 1.930 0.037 2 0 "[ .]" 1
942 1 65 GLU H 1 92 VAL MG2 3.000 . 3.500 3.544 3.410 3.722 0.222 4 0 "[ .]" 1
943 1 65 GLU H 1 92 VAL HB 2.700 . 3.100 2.126 1.994 2.411 . 0 0 "[ .]" 1
944 1 65 GLU QB 1 92 VAL MG2 3.000 . 3.500 3.708 3.583 3.768 0.268 3 0 "[ .]" 1
945 1 66 SER HA 1 91 THR HA 3.000 . 3.500 2.158 2.041 2.232 . 0 0 "[ .]" 1
946 1 66 SER HA 1 91 THR MG 3.000 . 3.500 1.991 1.931 2.071 . 0 0 "[ .]" 1
947 1 66 SER HA 1 92 VAL H 5.000 . 5.800 3.904 3.775 3.952 . 0 0 "[ .]" 1
948 1 66 SER HB2 1 91 THR MG 4.000 . 4.700 2.085 1.926 2.198 . 0 0 "[ .]" 1
949 1 66 SER HB3 1 91 THR MG 3.500 . 4.100 3.386 3.230 3.491 . 0 0 "[ .]" 1
950 1 67 PHE QD 1 90 TYR HB2 4.000 . 4.700 4.859 4.801 4.930 0.230 5 0 "[ .]" 1
951 1 67 PHE QD 1 90 TYR HB3 4.000 . 4.700 3.175 3.121 3.258 . 0 0 "[ .]" 1
952 1 67 PHE H 1 90 TYR H 3.000 . 3.500 3.443 3.359 3.541 0.041 1 0 "[ .]" 1
953 1 67 PHE H 1 91 THR HA 5.000 . 5.800 3.460 3.367 3.547 . 0 0 "[ .]" 1
954 1 67 PHE H 1 91 THR MG 3.500 . 4.100 4.128 4.086 4.163 0.063 2 0 "[ .]" 1
955 1 67 PHE QD 1 92 VAL MG2 2.400 . 2.700 2.639 2.546 2.699 . 0 0 "[ .]" 1
956 1 67 PHE QD 1 92 VAL MG1 4.000 . 4.700 4.854 4.778 4.913 0.213 5 0 "[ .]" 1
957 1 67 PHE QD 1 92 VAL HA 4.000 . 4.700 4.826 4.769 4.858 0.158 1 0 "[ .]" 1
958 1 67 PHE QD 1 92 VAL H 3.000 . 3.500 3.043 2.877 3.213 . 0 0 "[ .]" 1
959 1 68 GLU HA 1 89 GLU HA 2.400 . 2.700 1.846 1.816 1.872 0.084 5 0 "[ .]" 1
960 1 68 GLU HA 1 90 TYR H 3.500 . 4.100 3.717 3.542 3.848 . 0 0 "[ .]" 1
961 1 69 TYR H 1 88 ARG H 3.000 . 3.500 3.564 3.508 3.605 0.105 1 0 "[ .]" 1
962 1 69 TYR H 1 89 GLU HA 2.700 . 3.100 2.815 2.367 3.106 0.006 4 0 "[ .]" 1
963 1 69 TYR QD 1 90 TYR HB2 4.000 . 4.700 4.545 3.521 4.872 0.172 2 0 "[ .]" 1
964 1 70 LYS QB 1 87 ASN HA 3.000 . 3.500 3.139 2.647 3.602 0.102 5 0 "[ .]" 1
965 1 71 PHE H 1 83 GLU H 5.000 . 5.800 4.555 4.417 4.634 . 0 0 "[ .]" 1
966 1 71 PHE H 1 83 GLU HB3 5.000 . 5.800 4.005 3.308 4.314 . 0 0 "[ .]" 1
967 1 71 PHE HB2 1 107 TRP HE3 4.000 . 4.700 3.528 3.451 3.666 . 0 0 "[ .]" 1
968 1 71 PHE HB3 1 107 TRP HE3 4.000 . 4.700 4.600 4.458 4.665 . 0 0 "[ .]" 1
969 1 72 ILE HA 1 82 TRP HA 3.000 . 3.500 2.084 1.902 2.528 . 0 0 "[ .]" 1
970 1 72 ILE HA 1 82 TRP HD1 3.000 . 3.500 3.805 3.371 3.936 0.436 5 0 "[ .]" 1
971 1 72 ILE MG 1 82 TRP HE1 4.000 . 4.700 2.210 2.126 2.467 . 0 0 "[ .]" 1
972 1 72 ILE HA 1 83 GLU H 3.500 . 4.100 3.838 3.723 3.925 . 0 0 "[ .]" 1
973 1 72 ILE MG 1 80 VAL MG1 2.700 . 3.100 3.436 3.419 3.467 0.367 3 0 "[ .]" 1
974 1 72 ILE MG 1 80 VAL MG2 2.400 . 2.700 1.908 1.869 1.956 0.031 2 0 "[ .]" 1
975 1 72 ILE HB 1 80 VAL MG2 2.700 . 3.100 2.601 2.456 2.925 . 0 0 "[ .]" 1
976 1 72 ILE HA 1 80 VAL MG2 3.500 . 4.100 3.506 3.295 4.006 . 0 0 "[ .]" 1
977 1 72 ILE MD 1 80 VAL MG2 3.000 . 3.500 3.201 3.120 3.460 . 0 0 "[ .]" 1
978 1 72 ILE MG 1 82 TRP HD1 3.000 . 3.500 2.516 2.492 2.540 . 0 0 "[ .]" 1
979 1 72 ILE MG 1 82 TRP HE3 2.700 . 3.100 3.371 3.114 3.467 0.367 4 0 "[ .]" 1
980 1 72 ILE MG 1 82 TRP HA 5.000 . 5.800 2.235 1.863 3.621 0.037 2 0 "[ .]" 1
981 1 72 ILE MG 1 82 TRP H 3.500 . 4.100 4.123 3.971 4.186 0.086 5 0 "[ .]" 1
982 1 73 ARG H 1 81 GLU H 3.500 . 4.100 2.137 1.915 2.516 . 0 0 "[ .]" 1
983 1 73 ARG H 1 80 VAL MG1 4.000 . 4.700 4.622 4.448 4.722 0.022 1 0 "[ .]" 1
984 1 73 ARG H 1 80 VAL MG2 5.000 . 5.800 3.077 2.861 3.402 . 0 0 "[ .]" 1
985 1 73 ARG H 1 82 TRP HA 5.000 . 5.800 3.305 2.848 3.549 . 0 0 "[ .]" 1
986 1 73 ARG H 1 107 TRP HE3 5.000 . 5.800 5.709 5.613 5.814 0.014 3 0 "[ .]" 1
987 1 74 ILE MD 1 82 TRP HD1 4.000 . 4.700 4.780 4.702 4.819 0.119 5 0 "[ .]" 1
988 1 74 ILE HA 1 80 VAL MG2 3.500 . 4.100 3.935 3.873 4.055 . 0 0 "[ .]" 1
989 1 74 ILE QG 1 80 VAL MG2 2.400 . 2.700 2.944 2.875 2.982 0.282 4 0 "[ .]" 1
990 1 74 ILE MG 1 79 SER H 3.500 . 4.100 3.785 3.588 3.917 . 0 0 "[ .]" 1
991 1 74 ILE HA 1 81 GLU H 5.000 . 5.800 4.030 3.903 4.253 . 0 0 "[ .]" 1
992 1 75 GLU H 1 80 VAL HA 4.000 . 4.700 3.292 3.131 3.501 . 0 0 "[ .]" 1
993 1 90 TYR QD 1 103 VAL MG2 5.000 . 5.800 2.399 1.968 2.928 . 0 0 "[ .]" 1
994 1 90 TYR QD 1 102 THR HB 3.500 . 4.100 4.291 4.245 4.346 0.246 2 0 "[ .]" 1
995 1 90 TYR QE 1 102 THR HB 2.700 . 3.100 3.103 3.043 3.133 0.033 5 0 "[ .]" 1
996 1 47 LYS QE 1 56 TYR QE 5.000 . 5.800 4.623 4.490 4.807 . 0 0 "[ .]" 1
997 1 48 TYR HA 1 53 PRO HA 2.700 . 3.100 1.927 1.825 2.184 0.075 3 0 "[ .]" 1
998 1 48 TYR HA 1 54 LEU H 5.000 . 5.800 2.029 1.829 2.177 0.071 5 0 "[ .]" 1
999 1 48 TYR HB2 1 55 TRP HB2 5.000 . 5.800 5.310 5.173 5.441 . 0 0 "[ .]" 1
1000 1 48 TYR QE 1 55 TRP HE1 5.000 . 5.800 1.702 1.646 1.726 0.254 3 0 "[ .]" 1
1001 1 55 TRP HD1 1 107 TRP HD1 5.000 . 5.800 5.958 5.923 6.002 0.202 4 0 "[ .]" 1
1002 1 61 LEU H 1 92 VAL MG2 5.000 . 5.800 3.990 3.420 4.404 . 0 0 "[ .]" 1
1003 1 61 LEU HB3 1 92 VAL MG2 3.500 . 4.000 2.448 2.083 2.914 . 0 0 "[ .]" 1
1004 1 61 LEU MD1 1 69 TYR QE 5.000 . 5.800 1.901 1.763 2.200 0.137 2 0 "[ .]" 1
1005 1 62 PRO HA 1 92 VAL MG1 5.000 . 5.800 3.288 2.654 4.351 . 0 0 "[ .]" 1
1006 1 64 GLY H 1 94 GLN QB 5.000 . 5.800 5.493 4.870 5.864 0.064 2 0 "[ .]" 1
1007 1 64 GLY QA 1 92 VAL MG1 5.000 . 5.800 2.368 1.810 3.912 0.090 5 0 "[ .]" 1
1008 1 64 GLY QA 1 94 GLN QE 5.000 . 5.800 3.517 2.186 5.828 0.028 5 0 "[ .]" 1
1009 1 65 GLU H 1 92 VAL MG1 5.000 . 5.800 3.562 3.365 3.784 . 0 0 "[ .]" 1
1010 1 66 SER HA 1 90 TYR H 5.000 . 5.800 3.512 3.183 3.900 . 0 0 "[ .]" 1
1011 1 66 SER HB2 1 91 THR H 5.000 . 5.800 5.582 5.173 5.816 0.016 1 0 "[ .]" 1
1012 1 67 PHE QB 1 90 TYR HB3 5.000 . 5.800 2.631 2.518 2.719 . 0 0 "[ .]" 1
1013 1 67 PHE QB 1 92 VAL H 5.000 . 5.800 5.199 5.066 5.322 . 0 0 "[ .]" 1
1014 1 68 GLU HA 1 87 ASN HB2 4.000 . 4.700 4.518 4.263 4.709 0.009 1 0 "[ .]" 1
1015 1 68 GLU HA 1 89 GLU QG 4.000 . 4.700 4.615 4.363 4.791 0.091 4 0 "[ .]" 1
1016 1 68 GLU QB 1 87 ASN QD 5.000 . 5.800 3.512 3.140 3.764 . 0 0 "[ .]" 1
1017 1 68 GLU QB 1 88 ARG H 5.000 . 5.800 4.926 4.227 5.521 . 0 0 "[ .]" 1
1018 1 68 GLU QB 1 89 GLU HA 5.000 . 5.800 3.878 3.470 4.082 . 0 0 "[ .]" 1
1019 1 68 GLU QB 1 89 GLU HB2 5.000 . 5.800 4.512 4.286 4.843 . 0 0 "[ .]" 1
1020 1 68 GLU QG 1 89 GLU HA 5.000 . 5.800 3.282 2.830 4.023 . 0 0 "[ .]" 1
1021 1 68 GLU QG 1 89 GLU QG 5.000 . 5.800 4.517 3.971 5.135 . 0 0 "[ .]" 1
1022 1 69 TYR HA 1 87 ASN HB2 5.000 . 5.800 5.033 4.485 5.552 . 0 0 "[ .]" 1
1023 1 69 TYR H 1 89 GLU QG 5.000 . 5.800 5.486 5.086 5.779 . 0 0 "[ .]" 1
1024 1 69 TYR QB 1 89 GLU HA 5.000 . 5.800 4.962 4.083 5.502 . 0 0 "[ .]" 1
1025 1 69 TYR QD 1 90 TYR H 5.000 . 5.800 4.888 3.858 5.304 . 0 0 "[ .]" 1
1026 1 70 LYS H 1 87 ASN HB2 5.000 . 5.800 5.848 5.804 5.874 0.074 4 0 "[ .]" 1
1027 1 70 LYS QB 1 82 TRP HE3 5.000 . 5.800 3.988 3.238 4.526 . 0 0 "[ .]" 1
1028 1 70 LYS QB 1 82 TRP HZ3 5.000 . 5.800 4.811 4.004 5.345 . 0 0 "[ .]" 1
1029 1 71 PHE HA 1 105 ASP QB 5.000 . 5.800 4.540 4.422 4.689 . 0 0 "[ .]" 1
1030 1 71 PHE HB3 1 105 ASP HA 5.000 . 5.800 4.601 4.477 4.737 . 0 0 "[ .]" 1
1031 1 71 PHE HB2 1 105 ASP HA 5.000 . 5.800 6.024 5.987 6.060 0.260 1 0 "[ .]" 1
1032 1 71 PHE HB2 1 105 ASP QB 5.000 . 5.800 3.643 3.492 3.776 . 0 0 "[ .]" 1
1033 1 71 PHE HB3 1 107 TRP HZ3 5.000 . 5.800 5.884 5.838 5.925 0.125 1 0 "[ .]" 1
1034 1 71 PHE HB2 1 107 TRP HZ3 5.000 . 5.800 4.518 4.464 4.603 . 0 0 "[ .]" 1
1035 1 71 PHE QD 1 105 ASP QB 5.000 . 5.800 3.979 3.325 4.474 . 0 0 "[ .]" 1
1036 1 72 ILE H 1 107 TRP HZ3 4.000 . 4.700 3.923 3.760 4.252 . 0 0 "[ .]" 1
1037 1 72 ILE HA 1 107 TRP HE3 5.000 . 5.800 5.734 5.606 5.825 0.025 1 0 "[ .]" 1
1038 1 72 ILE HA 1 107 TRP HZ3 5.000 . 5.800 4.301 4.234 4.424 . 0 0 "[ .]" 1
1039 1 72 ILE HB 1 81 GLU HA 5.000 . 5.800 5.944 5.896 6.091 0.291 3 0 "[ .]" 1
1040 1 72 ILE QG 1 82 TRP HB3 5.000 . 5.800 5.576 4.179 5.932 0.132 1 0 "[ .]" 1
1041 1 72 ILE QG 1 82 TRP HZ3 5.000 . 5.800 5.773 5.545 5.978 0.178 3 0 "[ .]" 1
1042 1 72 ILE MG 1 81 GLU HA 5.000 . 5.800 4.488 4.448 4.515 . 0 0 "[ .]" 1
1043 1 72 ILE MG 1 82 TRP HB3 4.000 . 4.700 3.151 2.215 3.398 . 0 0 "[ .]" 1
1044 1 73 ARG H 1 81 GLU HB2 5.000 . 5.800 3.068 2.592 4.703 . 0 0 "[ .]" 1
1045 1 73 ARG QB 1 82 TRP HD1 5.000 . 5.800 4.874 4.258 5.273 . 0 0 "[ .]" 1
1046 1 73 ARG QB 1 107 TRP HZ2 5.000 . 5.800 3.633 3.380 3.759 . 0 0 "[ .]" 1
1047 1 74 ILE QG 1 79 SER HA 5.000 . 5.800 5.833 5.823 5.843 0.043 3 0 "[ .]" 1
1048 1 74 ILE QG 1 80 VAL HA 5.000 . 5.800 4.096 3.927 4.247 . 0 0 "[ .]" 1
1049 1 74 ILE QG 1 80 VAL HB 5.000 . 5.800 2.380 2.177 2.529 . 0 0 "[ .]" 1
1050 1 74 ILE QG 1 81 GLU H 5.000 . 5.800 4.420 4.266 4.560 . 0 0 "[ .]" 1
1051 1 74 ILE QG 1 82 TRP HD1 5.000 . 5.800 5.423 4.827 5.611 . 0 0 "[ .]" 1
1052 1 74 ILE QG 1 82 TRP HE1 4.000 . 4.700 4.815 4.774 4.919 0.219 3 0 "[ .]" 1
1053 1 74 ILE MG 1 79 SER HA 5.000 . 5.800 5.121 4.910 5.291 . 0 0 "[ .]" 1
1054 1 90 TYR QD 1 101 ALA MB 5.000 . 5.800 3.371 3.288 3.548 . 0 0 "[ .]" 1
1055 1 90 TYR QE 1 101 ALA MB 5.000 . 5.800 2.021 1.788 2.319 0.112 5 0 "[ .]" 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 86
_Distance_constraint_stats_list.Viol_count 113
_Distance_constraint_stats_list.Viol_total 56.455
_Distance_constraint_stats_list.Viol_max 0.313
_Distance_constraint_stats_list.Viol_rms 0.0587
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0263
_Distance_constraint_stats_list.Viol_average_violations_only 0.0999
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 THR 0.201 0.084 3 0 "[ .]"
1 7 VAL 0.227 0.135 2 0 "[ .]"
1 8 ALA 0.123 0.068 1 0 "[ .]"
1 9 VAL 0.023 0.023 3 0 "[ .]"
1 10 THR 0.264 0.062 4 0 "[ .]"
1 11 PHE 0.651 0.281 4 0 "[ .]"
1 12 ASP 0.290 0.110 2 0 "[ .]"
1 13 LEU 1.130 0.270 2 0 "[ .]"
1 14 THR 2.243 0.313 1 0 "[ .]"
1 15 ALA 0.053 0.041 3 0 "[ .]"
1 22 ASN 0.048 0.035 5 0 "[ .]"
1 23 ILE 0.000 0.000 . 0 "[ .]"
1 24 TYR 1.030 0.178 5 0 "[ .]"
1 25 LEU 0.020 0.020 3 0 "[ .]"
1 26 VAL 1.052 0.167 3 0 "[ .]"
1 27 GLY 1.044 0.223 5 0 "[ .]"
1 28 SER 0.000 0.000 . 0 "[ .]"
1 29 ILE 0.000 0.000 . 0 "[ .]"
1 30 SER 0.976 0.224 1 0 "[ .]"
1 32 LEU 1.044 0.223 5 0 "[ .]"
1 33 GLY 0.000 0.000 . 0 "[ .]"
1 34 ASP 0.976 0.224 1 0 "[ .]"
1 41 ILE 0.020 0.020 3 0 "[ .]"
1 43 LEU 0.000 0.000 . 0 "[ .]"
1 44 SER 0.577 0.192 3 0 "[ .]"
1 53 PRO 0.053 0.041 3 0 "[ .]"
1 55 TRP 1.130 0.270 2 0 "[ .]"
1 56 TYR 0.577 0.192 3 0 "[ .]"
1 57 VAL 0.651 0.281 4 0 "[ .]"
1 59 VAL 0.023 0.023 3 0 "[ .]"
1 61 LEU 0.227 0.135 2 0 "[ .]"
1 63 ALA 0.201 0.084 3 0 "[ .]"
1 65 GLU 0.554 0.150 5 0 "[ .]"
1 67 PHE 0.000 0.000 . 0 "[ .]"
1 68 GLU 0.000 0.000 . 0 "[ .]"
1 69 TYR 0.000 0.000 . 0 "[ .]"
1 70 LYS 1.052 0.167 3 0 "[ .]"
1 71 PHE 0.785 0.188 2 0 "[ .]"
1 72 ILE 1.030 0.178 5 0 "[ .]"
1 73 ARG 0.000 0.000 . 0 "[ .]"
1 74 ILE 0.048 0.035 5 0 "[ .]"
1 75 GLU 0.000 0.000 . 0 "[ .]"
1 79 SER 0.000 0.000 . 0 "[ .]"
1 81 GLU 0.000 0.000 . 0 "[ .]"
1 83 GLU 0.785 0.188 2 0 "[ .]"
1 88 ARG 0.000 0.000 . 0 "[ .]"
1 90 TYR 0.000 0.000 . 0 "[ .]"
1 92 VAL 0.554 0.150 5 0 "[ .]"
1 99 SER 0.001 0.001 1 0 "[ .]"
1 101 ALA 0.329 0.068 1 0 "[ .]"
1 103 VAL 0.162 0.086 5 0 "[ .]"
1 105 ASP 1.067 0.313 1 0 "[ .]"
1 107 TRP 1.362 0.213 5 0 "[ .]"
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 5 THR O 1 63 ALA N 3.300 2.500 3.500 2.945 2.423 3.288 0.077 4 0 "[ .]" 2
2 1 5 THR O 1 63 ALA H 2.300 . 2.500 2.283 2.087 2.584 0.084 3 0 "[ .]" 2
3 1 7 VAL N 1 61 LEU O 3.300 2.500 3.500 3.234 2.657 3.524 0.024 2 0 "[ .]" 2
4 1 7 VAL H 1 61 LEU O 2.300 . 2.500 2.441 2.095 2.635 0.135 2 0 "[ .]" 2
5 1 7 VAL O 1 61 LEU N 3.300 2.500 3.500 3.039 2.780 3.332 . 0 0 "[ .]" 2
6 1 7 VAL O 1 61 LEU H 2.300 . 2.500 2.372 2.090 2.521 0.021 3 0 "[ .]" 2
7 1 9 VAL N 1 59 VAL O 3.300 2.500 3.500 3.080 3.012 3.215 . 0 0 "[ .]" 2
8 1 9 VAL H 1 59 VAL O 2.300 . 2.500 2.119 2.073 2.249 . 0 0 "[ .]" 2
9 1 9 VAL O 1 59 VAL N 3.300 2.500 3.500 2.949 2.890 3.070 . 0 0 "[ .]" 2
10 1 9 VAL O 1 59 VAL H 2.300 . 2.500 2.184 2.026 2.523 0.023 3 0 "[ .]" 2
11 1 11 PHE N 1 57 VAL O 3.300 2.500 3.500 2.690 2.480 3.027 0.020 1 0 "[ .]" 2
12 1 11 PHE H 1 57 VAL O 2.300 . 2.500 1.929 1.795 2.169 0.005 1 0 "[ .]" 2
13 1 11 PHE O 1 57 VAL N 3.300 2.500 3.500 3.277 3.037 3.509 0.009 4 0 "[ .]" 2
14 1 11 PHE O 1 57 VAL H 2.300 . 2.500 2.599 2.431 2.781 0.281 4 0 "[ .]" 2
15 1 13 LEU N 1 55 TRP O 3.300 2.500 3.500 3.407 3.191 3.587 0.087 5 0 "[ .]" 2
16 1 13 LEU H 1 55 TRP O 2.300 . 2.500 2.614 2.378 2.770 0.270 2 0 "[ .]" 2
17 1 13 LEU O 1 55 TRP N 3.300 2.500 3.500 3.083 2.944 3.377 . 0 0 "[ .]" 2
18 1 13 LEU O 1 55 TRP H 2.300 . 2.500 2.278 2.081 2.717 0.217 1 0 "[ .]" 2
19 1 15 ALA N 1 53 PRO O 3.300 2.500 3.500 3.089 2.918 3.361 . 0 0 "[ .]" 2
20 1 15 ALA H 1 53 PRO O 2.300 . 2.500 2.259 2.048 2.541 0.041 3 0 "[ .]" 2
21 1 8 ALA N 1 99 SER O 3.300 2.500 3.500 3.161 2.970 3.377 . 0 0 "[ .]" 2
22 1 8 ALA H 1 99 SER O 2.300 . 2.500 2.271 2.081 2.501 0.001 1 0 "[ .]" 2
23 1 8 ALA O 1 101 ALA N 3.300 2.500 3.500 2.499 2.432 2.567 0.068 1 0 "[ .]" 2
24 1 8 ALA O 1 101 ALA H 2.300 . 2.500 2.103 2.078 2.136 . 0 0 "[ .]" 2
25 1 10 THR N 1 101 ALA O 3.300 2.500 3.500 3.494 3.467 3.523 0.023 5 0 "[ .]" 2
26 1 10 THR H 1 101 ALA O 2.300 . 2.500 2.536 2.515 2.562 0.062 4 0 "[ .]" 2
27 1 10 THR O 1 103 VAL N 3.300 2.500 3.500 3.009 2.917 3.282 . 0 0 "[ .]" 2
28 1 10 THR O 1 103 VAL H 2.300 . 2.500 2.473 2.308 2.528 0.028 2 0 "[ .]" 2
29 1 12 ASP N 1 103 VAL O 3.300 2.500 3.500 3.212 3.009 3.353 . 0 0 "[ .]" 2
30 1 12 ASP H 1 103 VAL O 2.300 . 2.500 2.408 2.157 2.586 0.086 5 0 "[ .]" 2
31 1 12 ASP O 1 105 ASP N 3.300 2.500 3.500 3.031 2.697 3.173 . 0 0 "[ .]" 2
32 1 12 ASP O 1 105 ASP H 2.300 . 2.500 2.451 2.226 2.610 0.110 2 0 "[ .]" 2
33 1 14 THR N 1 105 ASP O 3.300 2.500 3.500 3.382 3.239 3.481 . 0 0 "[ .]" 2
34 1 14 THR H 1 105 ASP O 2.300 . 2.500 2.676 2.561 2.813 0.313 1 0 "[ .]" 2
35 1 14 THR O 1 107 TRP N 3.300 2.500 3.500 3.583 3.556 3.603 0.103 2 0 "[ .]" 2
36 1 14 THR O 1 107 TRP H 2.300 . 2.500 2.689 2.652 2.713 0.213 5 0 "[ .]" 2
37 1 23 ILE O 1 43 LEU N 3.300 2.500 3.500 2.917 2.818 3.055 . 0 0 "[ .]" 2
38 1 23 ILE O 1 43 LEU H 2.300 . 2.500 2.189 2.081 2.351 . 0 0 "[ .]" 2
39 1 25 LEU N 1 41 ILE O 3.300 2.500 3.500 2.685 2.480 2.834 0.020 3 0 "[ .]" 2
40 1 25 LEU H 1 41 ILE O 2.300 . 2.500 2.110 2.081 2.189 . 0 0 "[ .]" 2
41 1 25 LEU O 1 41 ILE N 3.300 2.500 3.500 2.776 2.584 2.877 . 0 0 "[ .]" 2
42 1 25 LEU O 1 41 ILE H 2.300 . 2.500 2.134 2.090 2.283 . 0 0 "[ .]" 2
43 1 22 ASN N 1 74 ILE O 3.300 2.500 3.500 3.303 3.136 3.411 . 0 0 "[ .]" 2
44 1 22 ASN H 1 74 ILE O 2.300 . 2.500 2.413 2.224 2.535 0.035 5 0 "[ .]" 2
45 1 22 ASN O 1 74 ILE N 3.300 2.500 3.500 3.269 3.221 3.387 . 0 0 "[ .]" 2
46 1 22 ASN O 1 74 ILE H 2.300 . 2.500 2.389 2.321 2.507 0.007 3 0 "[ .]" 2
47 1 24 TYR N 1 72 ILE O 3.300 2.500 3.500 3.377 3.314 3.473 . 0 0 "[ .]" 2
48 1 24 TYR H 1 72 ILE O 2.300 . 2.500 2.589 2.549 2.667 0.167 3 0 "[ .]" 2
49 1 24 TYR O 1 72 ILE N 3.300 2.500 3.500 3.438 3.293 3.518 0.018 1 0 "[ .]" 2
50 1 24 TYR O 1 72 ILE H 2.300 . 2.500 2.577 2.336 2.678 0.178 5 0 "[ .]" 2
51 1 26 VAL N 1 70 LYS O 3.300 2.500 3.500 3.479 3.423 3.548 0.048 1 0 "[ .]" 2
52 1 26 VAL H 1 70 LYS O 2.300 . 2.500 2.630 2.604 2.667 0.167 3 0 "[ .]" 2
53 1 26 VAL O 1 70 LYS N 3.300 2.500 3.500 3.473 3.359 3.563 0.063 4 0 "[ .]" 2
54 1 26 VAL O 1 70 LYS H 2.300 . 2.500 2.555 2.496 2.588 0.088 4 0 "[ .]" 2
55 1 28 SER N 1 68 GLU O 3.300 2.500 3.500 2.785 2.649 2.936 . 0 0 "[ .]" 2
56 1 28 SER H 1 68 GLU O 2.300 . 2.500 2.193 2.041 2.435 . 0 0 "[ .]" 2
57 1 65 GLU O 1 92 VAL N 3.300 2.500 3.500 2.936 2.876 2.972 . 0 0 "[ .]" 2
58 1 65 GLU O 1 92 VAL H 2.300 . 2.500 2.051 2.010 2.092 . 0 0 "[ .]" 2
59 1 65 GLU N 1 92 VAL O 3.300 2.500 3.500 3.326 3.233 3.361 . 0 0 "[ .]" 2
60 1 65 GLU H 1 92 VAL O 2.300 . 2.500 2.611 2.568 2.650 0.150 5 0 "[ .]" 2
61 1 67 PHE N 1 90 TYR O 3.300 2.500 3.500 2.652 2.599 2.713 . 0 0 "[ .]" 2
62 1 67 PHE H 1 90 TYR O 2.300 . 2.500 2.245 2.098 2.397 . 0 0 "[ .]" 2
63 1 67 PHE O 1 90 TYR N 3.300 2.500 3.500 2.946 2.829 3.242 . 0 0 "[ .]" 2
64 1 67 PHE O 1 90 TYR H 2.300 . 2.500 2.104 2.033 2.338 . 0 0 "[ .]" 2
65 1 69 TYR N 1 88 ARG O 3.300 2.500 3.500 2.991 2.914 3.106 . 0 0 "[ .]" 2
66 1 69 TYR H 1 88 ARG O 2.300 . 2.500 2.250 2.083 2.388 . 0 0 "[ .]" 2
67 1 69 TYR O 1 88 ARG N 3.300 2.500 3.500 3.045 2.803 3.346 . 0 0 "[ .]" 2
68 1 69 TYR O 1 88 ARG H 2.300 . 2.500 2.240 2.047 2.434 . 0 0 "[ .]" 2
69 1 71 PHE O 1 83 GLU N 3.300 2.500 3.500 3.127 2.981 3.509 0.009 3 0 "[ .]" 2
70 1 71 PHE O 1 83 GLU H 2.300 . 2.500 2.655 2.591 2.688 0.188 2 0 "[ .]" 2
71 1 73 ARG N 1 81 GLU O 3.300 2.500 3.500 2.873 2.830 2.948 . 0 0 "[ .]" 2
72 1 73 ARG H 1 81 GLU O 2.300 . 2.500 2.041 1.972 2.199 . 0 0 "[ .]" 2
73 1 73 ARG O 1 81 GLU N 3.300 2.500 3.500 2.981 2.846 3.239 . 0 0 "[ .]" 2
74 1 73 ARG O 1 81 GLU H 2.300 . 2.500 2.215 2.087 2.430 . 0 0 "[ .]" 2
75 1 27 GLY N 1 32 LEU O 3.300 2.500 3.500 3.550 3.494 3.586 0.086 4 0 "[ .]" 2
76 1 27 GLY H 1 32 LEU O 2.300 . 2.500 2.657 2.578 2.723 0.223 5 0 "[ .]" 2
77 1 29 ILE O 1 32 LEU N 3.300 2.500 3.500 2.945 2.892 3.051 . 0 0 "[ .]" 2
78 1 29 ILE O 1 32 LEU H 2.300 . 2.500 2.120 2.083 2.184 . 0 0 "[ .]" 2
79 1 30 SER O 1 33 GLY N 3.300 2.500 3.500 2.601 2.503 2.655 . 0 0 "[ .]" 2
80 1 30 SER O 1 33 GLY H 2.300 . 2.500 1.853 1.822 1.876 . 0 0 "[ .]" 2
81 1 30 SER O 1 34 ASP N 3.300 2.500 3.500 3.387 3.309 3.442 . 0 0 "[ .]" 2
82 1 30 SER O 1 34 ASP H 2.300 . 2.500 2.695 2.654 2.724 0.224 1 0 "[ .]" 2
83 1 44 SER N 1 56 TYR O 3.300 2.500 3.500 3.376 3.189 3.633 0.133 3 0 "[ .]" 2
84 1 44 SER H 1 56 TYR O 2.300 . 2.500 2.520 2.393 2.692 0.192 3 0 "[ .]" 2
85 1 75 GLU N 1 79 SER O 3.300 2.500 3.500 3.026 2.996 3.044 . 0 0 "[ .]" 2
86 1 75 GLU H 1 79 SER O 2.300 . 2.500 2.057 2.028 2.078 . 0 0 "[ .]" 2
stop_
save_
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