NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
369260 |
1b9r   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1b9r
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 905
_Distance_constraint_stats_list.Viol_count 1407
_Distance_constraint_stats_list.Viol_total 2136.130
_Distance_constraint_stats_list.Viol_max 0.453
_Distance_constraint_stats_list.Viol_rms 0.0405
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0105
_Distance_constraint_stats_list.Viol_average_violations_only 0.1012
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 PRO 5.695 0.179 15 0 "[ . 1 .]"
1 2 ARG 8.124 0.371 8 0 "[ . 1 .]"
1 3 VAL 12.791 0.378 5 0 "[ . 1 .]"
1 4 VAL 1.080 0.070 15 0 "[ . 1 .]"
1 5 PHE 4.084 0.202 11 0 "[ . 1 .]"
1 6 ILE 0.390 0.083 6 0 "[ . 1 .]"
1 7 ASP 0.771 0.093 4 0 "[ . 1 .]"
1 8 GLU 2.704 0.134 1 0 "[ . 1 .]"
1 9 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 10 SER 0.297 0.053 8 0 "[ . 1 .]"
1 11 GLY 2.417 0.134 1 0 "[ . 1 .]"
1 12 GLU 3.637 0.202 11 0 "[ . 1 .]"
1 13 TYR 1.142 0.069 5 0 "[ . 1 .]"
1 14 ALA 4.244 0.232 5 0 "[ . 1 .]"
1 15 VAL 21.015 0.378 5 0 "[ . 1 .]"
1 16 ASP 6.646 0.319 11 0 "[ . 1 .]"
1 17 ALA 2.628 0.138 5 0 "[ . 1 .]"
1 18 GLN 2.044 0.154 6 0 "[ . 1 .]"
1 19 ASP 5.496 0.327 1 0 "[ . 1 .]"
1 20 GLY 0.050 0.033 13 0 "[ . 1 .]"
1 21 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 22 SER 1.593 0.167 4 0 "[ . 1 .]"
1 23 LEU 3.084 0.248 9 0 "[ . 1 .]"
1 24 MET 0.000 0.000 . 0 "[ . 1 .]"
1 25 GLU 6.020 0.341 14 0 "[ . 1 .]"
1 26 VAL 6.647 0.343 4 0 "[ . 1 .]"
1 27 ALA 8.092 0.341 14 0 "[ . 1 .]"
1 28 THR 0.106 0.019 11 0 "[ . 1 .]"
1 29 GLN 6.469 0.242 1 0 "[ . 1 .]"
1 30 ASN 9.405 0.205 3 0 "[ . 1 .]"
1 31 GLY 0.744 0.070 8 0 "[ . 1 .]"
1 32 VAL 6.856 0.177 9 0 "[ . 1 .]"
1 33 PRO 2.144 0.189 13 0 "[ . 1 .]"
1 34 GLY 1.244 0.189 13 0 "[ . 1 .]"
1 35 ILE 1.145 0.172 1 0 "[ . 1 .]"
1 49 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 50 ILE 0.470 0.109 7 0 "[ . 1 .]"
1 51 GLU 0.622 0.109 7 0 "[ . 1 .]"
1 52 ILE 0.570 0.094 9 0 "[ . 1 .]"
1 53 GLU 9.515 0.251 9 0 "[ . 1 .]"
1 54 ASP 3.686 0.230 8 0 "[ . 1 .]"
1 55 ALA 4.513 0.214 13 0 "[ . 1 .]"
1 56 TRP 27.089 0.449 13 0 "[ . 1 .]"
1 57 VAL 2.889 0.148 12 0 "[ . 1 .]"
1 58 GLU 4.375 0.133 14 0 "[ . 1 .]"
1 59 ILE 0.303 0.045 15 0 "[ . 1 .]"
1 60 VAL 3.225 0.236 3 0 "[ . 1 .]"
1 61 GLY 1.139 0.148 12 0 "[ . 1 .]"
1 62 GLU 2.096 0.258 1 0 "[ . 1 .]"
1 63 ALA 3.835 0.453 9 0 "[ . 1 .]"
1 64 ASN 1.536 0.094 8 0 "[ . 1 .]"
1 65 PRO 0.494 0.085 14 0 "[ . 1 .]"
1 66 ASP 0.044 0.035 2 0 "[ . 1 .]"
1 67 GLU 0.880 0.094 8 0 "[ . 1 .]"
1 68 ASN 0.309 0.070 9 0 "[ . 1 .]"
1 69 ASP 0.212 0.042 14 0 "[ . 1 .]"
1 70 LEU 0.056 0.035 2 0 "[ . 1 .]"
1 71 LEU 0.083 0.083 8 0 "[ . 1 .]"
1 72 GLN 0.068 0.028 2 0 "[ . 1 .]"
1 73 SER 0.042 0.024 8 0 "[ . 1 .]"
1 74 THR 0.083 0.083 8 0 "[ . 1 .]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 77 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 78 MET 0.070 0.070 9 0 "[ . 1 .]"
1 79 THR 0.018 0.018 1 0 "[ . 1 .]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 81 GLY 1.266 0.079 3 0 "[ . 1 .]"
1 82 THR 0.037 0.019 10 0 "[ . 1 .]"
1 83 ARG 2.225 0.453 9 0 "[ . 1 .]"
1 88 VAL 4.053 0.248 9 0 "[ . 1 .]"
1 89 PHE 1.028 0.167 4 0 "[ . 1 .]"
1 90 ILE 5.707 0.150 8 0 "[ . 1 .]"
1 91 ASP 11.995 0.327 1 0 "[ . 1 .]"
1 92 PRO 8.653 0.244 13 0 "[ . 1 .]"
1 93 SER 3.723 0.140 8 0 "[ . 1 .]"
1 94 MET 6.432 0.255 3 0 "[ . 1 .]"
1 95 ASP 14.877 0.371 8 0 "[ . 1 .]"
1 96 GLY 0.995 0.276 1 0 "[ . 1 .]"
1 97 LEU 0.265 0.189 10 0 "[ . 1 .]"
1 98 ILE 9.677 0.449 13 0 "[ . 1 .]"
1 99 VAL 2.466 0.251 9 0 "[ . 1 .]"
1 100 ARG 0.672 0.109 13 0 "[ . 1 .]"
1 101 VAL 1.037 0.129 14 0 "[ . 1 .]"
1 102 PRO 1.163 0.214 13 0 "[ . 1 .]"
1 103 LEU 1.068 0.214 13 0 "[ . 1 .]"
1 104 PRO 0.225 0.094 3 0 "[ . 1 .]"
1 105 ALA 0.225 0.094 3 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 PRO HA 1 2 ARG H 2.200 . 2.500 2.650 2.607 2.679 0.179 15 0 "[ . 1 .]" 1
2 1 1 PRO HA 1 2 ARG QB 5.000 2.800 5.300 4.075 4.045 4.123 . 0 0 "[ . 1 .]" 1
3 1 1 PRO QB 1 2 ARG H 4.000 . 4.300 1.978 1.943 2.057 . 0 0 "[ . 1 .]" 1
4 1 1 PRO QG 1 2 ARG H 4.000 . 4.300 3.834 3.805 3.894 . 0 0 "[ . 1 .]" 1
5 1 1 PRO HD3 1 18 GLN HA 5.000 . 5.300 1.945 1.856 2.148 . 0 0 "[ . 1 .]" 1
6 1 1 PRO HD2 1 18 GLN HA 5.000 . 5.300 2.316 2.212 2.549 . 0 0 "[ . 1 .]" 1
7 1 1 PRO HD3 1 19 ASP H 5.000 . 5.300 1.942 1.854 2.108 . 0 0 "[ . 1 .]" 1
8 1 1 PRO HD2 1 19 ASP H 5.000 . 5.300 3.238 3.121 3.400 . 0 0 "[ . 1 .]" 1
9 1 1 PRO HD3 1 19 ASP HA 5.000 . 5.300 3.888 3.794 3.982 . 0 0 "[ . 1 .]" 1
10 1 1 PRO HD2 1 19 ASP HA 5.000 . 5.300 4.494 4.344 4.591 . 0 0 "[ . 1 .]" 1
11 1 1 PRO HB3 1 90 ILE MG 4.000 . 4.300 3.701 3.669 3.739 . 0 0 "[ . 1 .]" 1
12 1 1 PRO HB3 1 90 ILE MD 4.000 . 4.300 3.797 3.754 3.859 . 0 0 "[ . 1 .]" 1
13 1 1 PRO HB2 1 90 ILE MG 4.000 . 4.300 3.035 2.986 3.084 . 0 0 "[ . 1 .]" 1
14 1 1 PRO HB2 1 90 ILE MD 4.000 . 4.300 2.606 2.547 2.651 . 0 0 "[ . 1 .]" 1
15 1 1 PRO QG 1 90 ILE MG 4.000 . 4.300 1.668 1.650 1.687 0.150 8 0 "[ . 1 .]" 1
16 1 1 PRO QG 1 90 ILE MD 4.000 . 4.300 2.386 2.289 2.441 . 0 0 "[ . 1 .]" 1
17 1 1 PRO HD3 1 90 ILE MG 4.000 . 4.300 2.289 2.240 2.347 . 0 0 "[ . 1 .]" 1
18 1 1 PRO HD2 1 90 ILE MG 4.000 . 4.300 1.775 1.740 1.801 0.060 1 0 "[ . 1 .]" 1
19 1 1 PRO HD3 1 90 ILE MD 4.000 . 4.300 3.791 3.768 3.817 . 0 0 "[ . 1 .]" 1
20 1 1 PRO HD2 1 90 ILE MD 4.000 . 4.300 2.568 2.513 2.603 . 0 0 "[ . 1 .]" 1
21 1 1 PRO QB 1 95 ASP H 4.000 . 4.300 4.002 3.972 4.020 . 0 0 "[ . 1 .]" 1
22 1 1 PRO QB 1 95 ASP HB3 4.000 . 4.300 1.796 1.680 2.338 0.120 15 0 "[ . 1 .]" 1
23 1 1 PRO QB 1 95 ASP HB2 4.000 . 4.300 3.097 2.960 3.347 . 0 0 "[ . 1 .]" 1
24 1 1 PRO QG 1 95 ASP H 5.000 . 5.300 4.223 4.147 4.362 . 0 0 "[ . 1 .]" 1
25 1 1 PRO QG 1 95 ASP HB3 4.000 . 4.300 2.686 2.373 3.646 . 0 0 "[ . 1 .]" 1
26 1 1 PRO QG 1 95 ASP HB2 4.000 . 4.300 3.944 3.872 4.045 . 0 0 "[ . 1 .]" 1
27 1 1 PRO HB3 1 96 GLY H 5.000 . 5.300 2.408 2.296 2.578 . 0 0 "[ . 1 .]" 1
28 1 1 PRO HB2 1 96 GLY H 5.000 . 5.300 2.352 2.256 2.522 . 0 0 "[ . 1 .]" 1
29 1 1 PRO QG 1 96 GLY H 5.000 . 5.300 3.850 3.737 4.065 . 0 0 "[ . 1 .]" 1
30 1 2 ARG HA 1 3 VAL H 2.200 . 2.500 2.520 2.489 2.548 0.048 8 0 "[ . 1 .]" 1
31 1 2 ARG QB 1 3 VAL H 4.000 . 4.300 3.405 2.934 3.544 . 0 0 "[ . 1 .]" 1
32 1 2 ARG HG3 1 3 VAL H 4.000 . 4.300 2.254 1.798 4.375 0.075 5 0 "[ . 1 .]" 1
33 1 2 ARG HG2 1 3 VAL H 4.000 . 4.300 3.100 1.897 3.926 . 0 0 "[ . 1 .]" 1
34 1 2 ARG QD 1 3 VAL H 4.000 . 4.300 3.174 1.833 3.936 . 0 0 "[ . 1 .]" 1
35 1 2 ARG HA 1 16 ASP HB2 5.000 . 5.300 3.531 3.472 3.732 . 0 0 "[ . 1 .]" 1
36 1 2 ARG HA 1 17 ALA H 4.000 . 4.300 3.022 2.930 3.127 . 0 0 "[ . 1 .]" 1
37 1 2 ARG H 1 95 ASP H 5.000 . 5.300 5.629 5.561 5.671 0.371 8 0 "[ . 1 .]" 1
38 1 2 ARG H 1 95 ASP HA 3.000 . 3.300 3.130 2.996 3.221 . 0 0 "[ . 1 .]" 1
39 1 2 ARG H 1 95 ASP HB3 5.000 . 5.300 3.365 3.170 3.549 . 0 0 "[ . 1 .]" 1
40 1 2 ARG H 1 95 ASP HB2 5.000 . 5.300 4.373 4.075 4.763 . 0 0 "[ . 1 .]" 1
41 1 2 ARG H 1 96 GLY H 4.000 . 4.300 1.857 1.796 1.980 0.004 5 0 "[ . 1 .]" 1
42 1 2 ARG QB 1 96 GLY H 4.000 . 4.300 3.276 3.076 3.551 . 0 0 "[ . 1 .]" 1
43 1 2 ARG HG3 1 96 GLY H 5.000 . 5.300 4.939 4.075 5.576 0.276 1 0 "[ . 1 .]" 1
44 1 2 ARG HG2 1 96 GLY H 5.000 . 5.300 4.816 4.081 5.398 0.098 5 0 "[ . 1 .]" 1
45 1 2 ARG H 1 97 LEU H 5.000 . 5.300 4.011 3.831 4.172 . 0 0 "[ . 1 .]" 1
46 1 3 VAL HA 1 4 VAL H 2.200 . 2.500 2.387 2.336 2.450 . 0 0 "[ . 1 .]" 1
47 1 3 VAL MG1 1 4 VAL H 3.000 . 3.300 2.015 1.901 2.108 . 0 0 "[ . 1 .]" 1
48 1 3 VAL MG2 1 4 VAL H 3.000 . 3.300 2.931 2.868 2.985 . 0 0 "[ . 1 .]" 1
49 1 3 VAL HB 1 5 PHE QD 5.000 . 5.300 4.663 4.624 4.724 . 0 0 "[ . 1 .]" 1
50 1 3 VAL MG1 1 5 PHE HA 5.000 . 5.300 4.057 4.024 4.132 . 0 0 "[ . 1 .]" 1
51 1 3 VAL MG1 1 5 PHE QD 4.000 . 4.300 2.052 2.017 2.101 . 0 0 "[ . 1 .]" 1
52 1 3 VAL MG1 1 5 PHE QE 4.000 . 4.300 1.727 1.666 1.762 0.134 10 0 "[ . 1 .]" 1
53 1 3 VAL MG2 1 5 PHE QD 5.000 . 5.300 4.051 3.994 4.081 . 0 0 "[ . 1 .]" 1
54 1 3 VAL MG2 1 5 PHE QE 4.000 . 4.300 3.081 2.915 3.198 . 0 0 "[ . 1 .]" 1
55 1 3 VAL H 1 14 ALA HA 5.000 . 5.300 5.453 5.416 5.532 0.232 5 0 "[ . 1 .]" 1
56 1 3 VAL H 1 15 VAL H 4.000 . 4.300 3.493 3.449 3.582 . 0 0 "[ . 1 .]" 1
57 1 3 VAL H 1 15 VAL HB 5.000 . 5.300 5.605 5.574 5.678 0.378 5 0 "[ . 1 .]" 1
58 1 3 VAL H 1 15 VAL MG1 4.000 . 4.300 3.605 3.568 3.639 . 0 0 "[ . 1 .]" 1
59 1 3 VAL HB 1 15 VAL H 5.000 . 5.300 4.361 4.200 4.463 . 0 0 "[ . 1 .]" 1
60 1 3 VAL HB 1 15 VAL MG1 3.000 . 3.300 2.143 2.066 2.195 . 0 0 "[ . 1 .]" 1
61 1 3 VAL HB 1 15 VAL MG2 5.000 . 5.300 4.102 4.057 4.150 . 0 0 "[ . 1 .]" 1
62 1 3 VAL MG1 1 15 VAL H 5.000 . 5.300 3.073 2.860 3.199 . 0 0 "[ . 1 .]" 1
63 1 3 VAL MG1 1 15 VAL HB 5.000 . 5.300 3.602 3.516 3.642 . 0 0 "[ . 1 .]" 1
64 1 3 VAL MG1 1 15 VAL MG1 4.000 . 4.300 1.505 1.496 1.517 0.304 4 0 "[ . 1 .]" 1
65 1 3 VAL MG2 1 15 VAL MG1 4.000 . 4.300 3.276 3.206 3.318 . 0 0 "[ . 1 .]" 1
66 1 3 VAL H 1 16 ASP HA 3.000 . 3.300 2.101 2.038 2.145 . 0 0 "[ . 1 .]" 1
67 1 3 VAL MG2 1 16 ASP HA 4.000 . 4.300 3.183 3.115 3.248 . 0 0 "[ . 1 .]" 1
68 1 3 VAL MG1 1 16 ASP HA 5.000 . 5.300 3.601 3.564 3.655 . 0 0 "[ . 1 .]" 1
69 1 3 VAL H 1 17 ALA H 5.000 . 5.300 4.248 4.171 4.303 . 0 0 "[ . 1 .]" 1
70 1 3 VAL MG1 1 17 ALA H 5.000 . 5.300 4.595 4.571 4.627 . 0 0 "[ . 1 .]" 1
71 1 3 VAL MG2 1 17 ALA H 4.000 . 4.300 3.208 3.069 3.291 . 0 0 "[ . 1 .]" 1
72 1 3 VAL MG2 1 17 ALA MB 3.000 . 3.300 2.264 2.134 2.319 . 0 0 "[ . 1 .]" 1
73 1 3 VAL MG1 1 17 ALA MB 4.000 . 4.300 3.211 3.194 3.251 . 0 0 "[ . 1 .]" 1
74 1 3 VAL HA 1 96 GLY H 5.000 . 5.300 3.941 3.885 4.048 . 0 0 "[ . 1 .]" 1
75 1 3 VAL MG2 1 96 GLY H 5.000 . 5.300 3.114 2.974 3.235 . 0 0 "[ . 1 .]" 1
76 1 3 VAL HA 1 97 LEU H 4.000 . 4.300 2.984 2.689 3.154 . 0 0 "[ . 1 .]" 1
77 1 3 VAL MG1 1 97 LEU H 5.000 . 5.300 4.457 4.331 4.526 . 0 0 "[ . 1 .]" 1
78 1 3 VAL MG2 1 97 LEU H 3.000 . 3.300 2.173 1.918 2.268 . 0 0 "[ . 1 .]" 1
79 1 3 VAL MG2 1 97 LEU HA 4.000 . 4.300 3.697 3.513 3.812 . 0 0 "[ . 1 .]" 1
80 1 3 VAL MG1 1 98 ILE HA 4.000 . 4.300 3.618 3.495 3.749 . 0 0 "[ . 1 .]" 1
81 1 3 VAL MG1 1 99 VAL H 4.000 . 4.300 3.597 3.422 3.723 . 0 0 "[ . 1 .]" 1
82 1 4 VAL H 1 5 PHE QD 5.000 . 5.300 3.208 3.091 3.294 . 0 0 "[ . 1 .]" 1
83 1 4 VAL HA 1 5 PHE H 2.200 . 2.500 2.024 2.005 2.042 . 0 0 "[ . 1 .]" 1
84 1 4 VAL HA 1 5 PHE QD 4.000 . 4.300 3.524 3.474 3.551 . 0 0 "[ . 1 .]" 1
85 1 4 VAL MG1 1 5 PHE H 3.000 . 3.300 2.815 2.790 2.855 . 0 0 "[ . 1 .]" 1
86 1 4 VAL MG2 1 5 PHE H 4.000 . 4.300 3.713 3.695 3.736 . 0 0 "[ . 1 .]" 1
87 1 4 VAL MG1 1 5 PHE HA 5.000 . 5.300 3.813 3.775 3.857 . 0 0 "[ . 1 .]" 1
88 1 4 VAL HA 1 13 TYR H 5.000 . 5.300 4.663 4.603 4.741 . 0 0 "[ . 1 .]" 1
89 1 4 VAL HA 1 14 ALA HA 3.000 . 3.300 1.744 1.730 1.753 0.070 15 0 "[ . 1 .]" 1
90 1 4 VAL HA 1 14 ALA MB 4.000 . 4.300 3.390 3.359 3.427 . 0 0 "[ . 1 .]" 1
91 1 4 VAL HB 1 14 ALA HA 4.000 . 4.300 4.038 3.939 4.103 . 0 0 "[ . 1 .]" 1
92 1 4 VAL MG1 1 14 ALA H 5.000 . 5.300 3.651 3.467 3.742 . 0 0 "[ . 1 .]" 1
93 1 4 VAL MG2 1 14 ALA H 5.000 . 5.300 4.013 3.977 4.060 . 0 0 "[ . 1 .]" 1
94 1 4 VAL MG1 1 14 ALA HA 3.000 . 3.300 2.680 2.528 2.756 . 0 0 "[ . 1 .]" 1
95 1 4 VAL MG2 1 14 ALA HA 3.000 . 3.300 1.851 1.823 1.911 . 0 0 "[ . 1 .]" 1
96 1 4 VAL MG1 1 14 ALA MB 4.000 . 4.300 2.965 2.898 2.992 . 0 0 "[ . 1 .]" 1
97 1 4 VAL MG2 1 14 ALA MB 4.000 . 4.300 2.108 1.931 2.194 . 0 0 "[ . 1 .]" 1
98 1 4 VAL HA 1 15 VAL H 4.000 . 4.300 2.195 2.100 2.267 . 0 0 "[ . 1 .]" 1
99 1 4 VAL MG1 1 15 VAL H 5.000 . 5.300 4.139 4.082 4.186 . 0 0 "[ . 1 .]" 1
100 1 4 VAL MG2 1 15 VAL H 4.000 . 4.300 2.326 2.138 2.564 . 0 0 "[ . 1 .]" 1
101 1 4 VAL H 1 97 LEU H 5.000 . 5.300 4.738 4.565 4.904 . 0 0 "[ . 1 .]" 1
102 1 4 VAL H 1 98 ILE HA 3.000 . 3.300 2.322 2.214 2.478 . 0 0 "[ . 1 .]" 1
103 1 4 VAL H 1 98 ILE HB 5.000 2.800 5.300 5.234 5.117 5.370 0.070 10 0 "[ . 1 .]" 1
104 1 4 VAL HB 1 98 ILE HA 3.000 . 3.300 2.710 2.398 2.942 . 0 0 "[ . 1 .]" 1
105 1 4 VAL H 1 99 VAL H 5.000 . 5.300 3.193 2.925 3.343 . 0 0 "[ . 1 .]" 1
106 1 4 VAL H 1 99 VAL MG2 5.000 . 5.300 3.096 2.853 3.212 . 0 0 "[ . 1 .]" 1
107 1 4 VAL HB 1 99 VAL H 4.000 . 4.300 4.019 3.751 4.168 . 0 0 "[ . 1 .]" 1
108 1 4 VAL MG1 1 99 VAL H 5.000 . 5.300 3.598 3.493 3.703 . 0 0 "[ . 1 .]" 1
109 1 5 PHE HA 1 6 ILE H 2.200 . 2.500 2.501 2.458 2.553 0.053 11 0 "[ . 1 .]" 1
110 1 5 PHE HA 1 6 ILE HB 5.000 . 5.300 4.707 4.283 4.929 . 0 0 "[ . 1 .]" 1
111 1 5 PHE HA 1 6 ILE MD 5.000 . 5.300 3.675 2.759 4.159 . 0 0 "[ . 1 .]" 1
112 1 5 PHE HB3 1 6 ILE H 4.000 . 4.300 2.157 2.070 2.253 . 0 0 "[ . 1 .]" 1
113 1 5 PHE HB2 1 6 ILE H 4.000 . 4.300 3.495 3.412 3.566 . 0 0 "[ . 1 .]" 1
114 1 5 PHE HB3 1 6 ILE QG 5.000 . 5.300 4.363 4.128 4.773 . 0 0 "[ . 1 .]" 1
115 1 5 PHE HB2 1 6 ILE QG 5.000 . 5.300 4.839 4.784 4.908 . 0 0 "[ . 1 .]" 1
116 1 5 PHE QD 1 6 ILE H 4.000 . 4.300 3.963 3.915 4.022 . 0 0 "[ . 1 .]" 1
117 1 5 PHE H 1 12 GLU HA 5.000 . 5.300 5.434 5.382 5.502 0.202 11 0 "[ . 1 .]" 1
118 1 5 PHE H 1 13 TYR H 4.000 . 4.300 3.482 3.439 3.545 . 0 0 "[ . 1 .]" 1
119 1 5 PHE H 1 13 TYR HB3 5.000 . 5.300 3.951 3.854 4.103 . 0 0 "[ . 1 .]" 1
120 1 5 PHE H 1 13 TYR HB2 4.000 . 4.300 3.522 3.425 3.619 . 0 0 "[ . 1 .]" 1
121 1 5 PHE HA 1 13 TYR H 5.000 . 5.300 4.494 4.388 4.593 . 0 0 "[ . 1 .]" 1
122 1 5 PHE HB3 1 13 TYR H 5.000 . 5.300 4.148 4.072 4.271 . 0 0 "[ . 1 .]" 1
123 1 5 PHE HB2 1 13 TYR H 4.000 . 4.300 3.520 3.408 3.651 . 0 0 "[ . 1 .]" 1
124 1 5 PHE HB2 1 13 TYR HB3 4.000 . 4.300 2.272 2.198 2.383 . 0 0 "[ . 1 .]" 1
125 1 5 PHE HB3 1 13 TYR HB2 4.000 . 4.300 2.178 2.106 2.282 . 0 0 "[ . 1 .]" 1
126 1 5 PHE H 1 14 ALA HA 3.000 . 3.300 2.703 2.631 2.766 . 0 0 "[ . 1 .]" 1
127 1 5 PHE QD 1 14 ALA HA 5.000 . 5.300 4.827 4.776 4.861 . 0 0 "[ . 1 .]" 1
128 1 5 PHE H 1 15 VAL H 5.000 . 5.300 3.551 3.382 3.734 . 0 0 "[ . 1 .]" 1
129 1 5 PHE QD 1 15 VAL H 5.000 . 5.300 4.645 4.455 4.756 . 0 0 "[ . 1 .]" 1
130 1 5 PHE QD 1 15 VAL MG1 3.000 . 3.300 2.486 2.452 2.547 . 0 0 "[ . 1 .]" 1
131 1 5 PHE QE 1 15 VAL MG1 3.000 . 3.300 2.654 2.606 2.679 . 0 0 "[ . 1 .]" 1
132 1 5 PHE QD 1 23 LEU HA 5.000 . 5.300 4.826 4.764 4.901 . 0 0 "[ . 1 .]" 1
133 1 5 PHE QE 1 23 LEU HA 5.000 . 5.300 2.981 2.905 3.120 . 0 0 "[ . 1 .]" 1
134 1 5 PHE QD 1 23 LEU QB 5.000 . 5.300 4.177 4.025 4.253 . 0 0 "[ . 1 .]" 1
135 1 5 PHE QE 1 23 LEU QB 5.000 . 5.300 3.256 3.024 3.461 . 0 0 "[ . 1 .]" 1
136 1 5 PHE QD 1 23 LEU HG 5.000 . 5.300 4.615 3.572 4.858 . 0 0 "[ . 1 .]" 1
137 1 5 PHE QE 1 23 LEU HG 5.000 . 5.300 3.670 2.201 4.159 . 0 0 "[ . 1 .]" 1
138 1 5 PHE QD 1 26 VAL HB 4.000 . 4.300 4.062 4.033 4.092 . 0 0 "[ . 1 .]" 1
139 1 5 PHE QE 1 26 VAL HB 5.000 . 5.300 2.740 2.659 2.808 . 0 0 "[ . 1 .]" 1
140 1 5 PHE QD 1 26 VAL MG2 5.000 . 5.300 4.048 4.004 4.112 . 0 0 "[ . 1 .]" 1
141 1 5 PHE QE 1 26 VAL MG2 5.000 . 5.300 2.044 1.978 2.141 . 0 0 "[ . 1 .]" 1
142 1 5 PHE QD 1 27 ALA H 4.000 . 4.300 4.011 3.942 4.093 . 0 0 "[ . 1 .]" 1
143 1 5 PHE QE 1 27 ALA H 4.000 . 4.300 2.035 1.946 2.108 . 0 0 "[ . 1 .]" 1
144 1 5 PHE QD 1 27 ALA HA 4.000 . 4.300 3.056 2.926 3.197 . 0 0 "[ . 1 .]" 1
145 1 5 PHE QE 1 27 ALA HA 4.000 . 4.300 2.656 2.589 2.724 . 0 0 "[ . 1 .]" 1
146 1 5 PHE QD 1 27 ALA MB 4.000 . 4.300 2.625 2.519 2.782 . 0 0 "[ . 1 .]" 1
147 1 5 PHE QE 1 27 ALA MB 4.000 . 4.300 1.764 1.749 1.800 0.051 5 0 "[ . 1 .]" 1
148 1 5 PHE QD 1 32 VAL HB 5.000 . 5.300 3.563 3.271 3.747 . 0 0 "[ . 1 .]" 1
149 1 5 PHE QE 1 32 VAL HB 5.000 . 5.300 3.901 3.760 4.086 . 0 0 "[ . 1 .]" 1
150 1 5 PHE QD 1 32 VAL MG1 4.000 . 4.300 1.812 1.704 1.943 0.096 14 0 "[ . 1 .]" 1
151 1 5 PHE QD 1 32 VAL MG2 4.000 . 4.300 2.292 2.129 2.467 . 0 0 "[ . 1 .]" 1
152 1 5 PHE QE 1 32 VAL MG1 4.000 . 4.300 3.314 3.241 3.364 . 0 0 "[ . 1 .]" 1
153 1 5 PHE QE 1 32 VAL MG2 4.000 . 4.300 3.279 3.229 3.297 . 0 0 "[ . 1 .]" 1
154 1 5 PHE H 1 99 VAL H 5.000 . 5.300 3.981 3.861 4.152 . 0 0 "[ . 1 .]" 1
155 1 5 PHE H 1 99 VAL MG2 5.000 . 5.300 3.804 3.609 4.213 . 0 0 "[ . 1 .]" 1
156 1 5 PHE HA 1 99 VAL H 3.000 . 3.300 2.410 2.142 2.827 . 0 0 "[ . 1 .]" 1
157 1 5 PHE HA 1 99 VAL HB 3.000 . 3.300 2.131 1.981 2.220 . 0 0 "[ . 1 .]" 1
158 1 5 PHE HA 1 99 VAL MG1 4.000 . 4.300 3.781 3.703 3.814 . 0 0 "[ . 1 .]" 1
159 1 5 PHE HA 1 99 VAL MG2 4.000 . 4.300 2.548 2.228 3.036 . 0 0 "[ . 1 .]" 1
160 1 5 PHE HB3 1 99 VAL MG2 5.000 . 5.300 4.063 3.798 4.454 . 0 0 "[ . 1 .]" 1
161 1 5 PHE QD 1 99 VAL HA 5.000 . 5.300 5.093 5.016 5.161 . 0 0 "[ . 1 .]" 1
162 1 5 PHE QD 1 99 VAL HB 4.000 . 4.300 3.226 3.085 3.454 . 0 0 "[ . 1 .]" 1
163 1 5 PHE QE 1 99 VAL HB 5.000 . 5.300 4.214 4.020 4.540 . 0 0 "[ . 1 .]" 1
164 1 5 PHE QD 1 99 VAL MG2 3.000 . 3.300 1.876 1.787 2.001 0.013 8 0 "[ . 1 .]" 1
165 1 5 PHE QE 1 99 VAL MG2 3.000 . 3.300 2.354 2.265 2.430 . 0 0 "[ . 1 .]" 1
166 1 6 ILE HA 1 7 ASP H 2.200 . 2.500 2.406 2.346 2.443 . 0 0 "[ . 1 .]" 1
167 1 6 ILE HB 1 7 ASP H 4.000 . 4.300 3.395 3.084 3.710 . 0 0 "[ . 1 .]" 1
168 1 6 ILE HB 1 7 ASP QB 5.000 . 5.300 4.821 4.731 4.939 . 0 0 "[ . 1 .]" 1
169 1 6 ILE MG 1 7 ASP H 3.000 . 3.300 1.864 1.782 2.036 0.018 7 0 "[ . 1 .]" 1
170 1 6 ILE MG 1 7 ASP HA 5.000 . 5.300 3.455 2.888 3.825 . 0 0 "[ . 1 .]" 1
171 1 6 ILE HA 1 12 GLU HA 3.000 . 3.300 1.852 1.809 1.906 . 0 0 "[ . 1 .]" 1
172 1 6 ILE HA 1 12 GLU QB 4.000 . 4.300 3.876 3.857 3.893 . 0 0 "[ . 1 .]" 1
173 1 6 ILE QG 1 12 GLU HA 5.000 . 5.300 3.356 1.829 3.805 . 0 0 "[ . 1 .]" 1
174 1 6 ILE MG 1 12 GLU HA 4.000 . 4.300 2.284 1.847 2.683 . 0 0 "[ . 1 .]" 1
175 1 6 ILE MD 1 12 GLU HA 4.000 . 4.300 2.160 1.717 3.621 0.083 6 0 "[ . 1 .]" 1
176 1 6 ILE HA 1 13 TYR H 4.000 . 4.300 2.655 2.545 2.810 . 0 0 "[ . 1 .]" 1
177 1 6 ILE QG 1 13 TYR H 5.000 . 5.300 3.670 2.547 4.040 . 0 0 "[ . 1 .]" 1
178 1 6 ILE MG 1 13 TYR H 5.000 . 5.300 3.974 3.621 4.297 . 0 0 "[ . 1 .]" 1
179 1 6 ILE MD 1 13 TYR H 4.000 . 4.300 2.821 2.446 3.598 . 0 0 "[ . 1 .]" 1
180 1 6 ILE H 1 99 VAL H 5.000 . 5.300 4.601 4.341 5.131 . 0 0 "[ . 1 .]" 1
181 1 6 ILE H 1 99 VAL HB 5.000 . 5.300 3.324 3.003 3.686 . 0 0 "[ . 1 .]" 1
182 1 6 ILE H 1 99 VAL MG1 5.000 . 5.300 4.362 4.235 4.432 . 0 0 "[ . 1 .]" 1
183 1 6 ILE MD 1 99 VAL H 5.000 . 5.300 4.025 2.805 4.474 . 0 0 "[ . 1 .]" 1
184 1 6 ILE H 1 100 ARG HA 3.000 . 3.300 2.545 2.179 3.245 . 0 0 "[ . 1 .]" 1
185 1 6 ILE HB 1 100 ARG HA 5.000 . 5.300 1.864 1.788 2.029 0.012 7 0 "[ . 1 .]" 1
186 1 6 ILE QG 1 100 ARG HA 5.000 . 5.300 2.852 2.030 3.965 . 0 0 "[ . 1 .]" 1
187 1 6 ILE MG 1 100 ARG HA 5.000 . 5.300 3.488 3.132 3.694 . 0 0 "[ . 1 .]" 1
188 1 6 ILE MD 1 100 ARG HA 5.000 . 5.300 3.838 2.825 4.339 . 0 0 "[ . 1 .]" 1
189 1 6 ILE H 1 101 VAL H 5.000 . 5.300 3.939 3.614 4.308 . 0 0 "[ . 1 .]" 1
190 1 6 ILE HB 1 101 VAL H 4.000 . 4.300 2.745 2.134 3.359 . 0 0 "[ . 1 .]" 1
191 1 6 ILE MG 1 101 VAL H 5.000 . 5.300 3.461 2.996 3.809 . 0 0 "[ . 1 .]" 1
192 1 7 ASP H 1 8 GLU H 4.000 . 4.300 4.331 4.301 4.347 0.047 5 0 "[ . 1 .]" 1
193 1 7 ASP HA 1 8 GLU H 3.000 . 3.300 2.559 2.385 2.754 . 0 0 "[ . 1 .]" 1
194 1 7 ASP HA 1 8 GLU HA 5.000 . 5.300 4.336 4.285 4.405 . 0 0 "[ . 1 .]" 1
195 1 7 ASP HA 1 8 GLU HB3 5.000 . 5.300 4.839 4.294 5.393 0.093 4 0 "[ . 1 .]" 1
196 1 7 ASP HA 1 8 GLU HB2 5.000 . 5.300 4.555 4.093 5.331 0.031 7 0 "[ . 1 .]" 1
197 1 7 ASP QB 1 8 GLU H 3.000 . 3.300 2.803 2.449 3.177 . 0 0 "[ . 1 .]" 1
198 1 7 ASP H 1 9 GLN H 5.000 . 5.300 4.659 4.456 4.807 . 0 0 "[ . 1 .]" 1
199 1 7 ASP HA 1 9 GLN H 5.000 . 5.300 4.151 3.900 4.388 . 0 0 "[ . 1 .]" 1
200 1 7 ASP QB 1 9 GLN H 4.000 . 4.300 2.426 2.196 3.243 . 0 0 "[ . 1 .]" 1
201 1 7 ASP QB 1 9 GLN QB 5.000 . 5.300 3.169 2.656 3.952 . 0 0 "[ . 1 .]" 1
202 1 7 ASP QB 1 10 SER H 4.000 . 4.300 2.924 2.587 3.541 . 0 0 "[ . 1 .]" 1
203 1 7 ASP QB 1 10 SER QB 5.000 . 5.300 3.894 3.431 4.112 . 0 0 "[ . 1 .]" 1
204 1 7 ASP H 1 11 GLY H 4.000 . 4.300 3.307 2.737 3.802 . 0 0 "[ . 1 .]" 1
205 1 7 ASP H 1 11 GLY QA 4.000 . 4.300 2.783 2.486 3.016 . 0 0 "[ . 1 .]" 1
206 1 7 ASP HA 1 11 GLY H 5.000 . 5.300 4.781 4.374 5.149 . 0 0 "[ . 1 .]" 1
207 1 7 ASP QB 1 11 GLY H 4.000 . 4.300 3.450 3.185 3.674 . 0 0 "[ . 1 .]" 1
208 1 7 ASP H 1 12 GLU HA 4.000 . 4.300 3.362 3.196 3.503 . 0 0 "[ . 1 .]" 1
209 1 7 ASP H 1 12 GLU QB 5.000 . 5.300 4.641 4.583 4.710 . 0 0 "[ . 1 .]" 1
210 1 7 ASP H 1 13 TYR QD 5.000 . 5.300 3.065 2.898 3.350 . 0 0 "[ . 1 .]" 1
211 1 7 ASP H 1 13 TYR QE 5.000 . 5.300 3.370 3.180 3.749 . 0 0 "[ . 1 .]" 1
212 1 7 ASP HA 1 13 TYR QE 5.000 . 5.300 4.441 4.222 4.683 . 0 0 "[ . 1 .]" 1
213 1 7 ASP QB 1 13 TYR QD 5.000 . 5.300 2.921 2.786 3.064 . 0 0 "[ . 1 .]" 1
214 1 7 ASP QB 1 13 TYR QE 3.000 . 3.300 1.932 1.826 2.174 . 0 0 "[ . 1 .]" 1
215 1 7 ASP HA 1 101 VAL H 4.000 . 4.300 2.938 2.601 3.275 . 0 0 "[ . 1 .]" 1
216 1 7 ASP HA 1 101 VAL HB 3.000 . 3.300 1.939 1.793 2.208 0.007 2 0 "[ . 1 .]" 1
217 1 7 ASP HA 1 101 VAL MG1 5.000 2.800 5.300 3.519 3.238 3.861 . 0 0 "[ . 1 .]" 1
218 1 7 ASP HA 1 101 VAL MG2 4.000 . 4.300 2.878 2.445 3.184 . 0 0 "[ . 1 .]" 1
219 1 7 ASP QB 1 101 VAL H 5.000 . 5.300 4.295 3.924 4.723 . 0 0 "[ . 1 .]" 1
220 1 7 ASP QB 1 101 VAL HB 5.000 . 5.300 3.167 2.759 3.524 . 0 0 "[ . 1 .]" 1
221 1 7 ASP QB 1 101 VAL MG2 4.000 . 4.300 2.289 1.888 2.635 . 0 0 "[ . 1 .]" 1
222 1 7 ASP QB 1 101 VAL MG1 5.000 . 5.300 3.859 3.484 3.972 . 0 0 "[ . 1 .]" 1
223 1 8 GLU H 1 9 GLN H 3.000 . 3.300 2.369 2.131 2.677 . 0 0 "[ . 1 .]" 1
224 1 8 GLU QB 1 9 GLN H 4.000 . 4.300 3.413 3.212 3.592 . 0 0 "[ . 1 .]" 1
225 1 8 GLU H 1 10 SER H 4.000 . 4.300 4.225 4.048 4.353 0.053 8 0 "[ . 1 .]" 1
226 1 8 GLU HA 1 10 SER H 4.000 . 4.300 4.157 3.403 4.342 0.042 4 0 "[ . 1 .]" 1
227 1 8 GLU H 1 11 GLY H 4.000 . 4.300 4.359 4.222 4.434 0.134 1 0 "[ . 1 .]" 1
228 1 8 GLU HA 1 11 GLY H 4.000 . 4.300 3.523 3.308 3.843 . 0 0 "[ . 1 .]" 1
229 1 8 GLU H 1 101 VAL H 5.000 . 5.300 5.325 4.989 5.429 0.129 14 0 "[ . 1 .]" 1
230 1 8 GLU H 1 101 VAL HB 5.000 . 5.300 3.432 3.268 3.605 . 0 0 "[ . 1 .]" 1
231 1 8 GLU H 1 101 VAL MG2 5.000 . 5.300 4.288 3.888 4.465 . 0 0 "[ . 1 .]" 1
232 1 9 GLN H 1 10 SER H 3.000 . 3.300 2.280 1.906 2.528 . 0 0 "[ . 1 .]" 1
233 1 9 GLN H 1 10 SER HA 5.000 . 5.300 4.944 4.629 5.119 . 0 0 "[ . 1 .]" 1
234 1 9 GLN HA 1 10 SER H 4.000 . 4.300 3.465 3.176 3.525 . 0 0 "[ . 1 .]" 1
235 1 9 GLN H 1 11 GLY H 4.000 . 4.300 3.190 2.756 3.544 . 0 0 "[ . 1 .]" 1
236 1 9 GLN HA 1 11 GLY H 5.000 . 5.300 4.634 4.434 4.971 . 0 0 "[ . 1 .]" 1
237 1 10 SER H 1 11 GLY H 3.000 . 3.300 1.833 1.791 1.876 0.009 7 0 "[ . 1 .]" 1
238 1 10 SER H 1 11 GLY QA 4.000 . 4.300 3.761 3.523 3.827 . 0 0 "[ . 1 .]" 1
239 1 11 GLY H 1 12 GLU H 4.000 . 4.300 2.615 2.357 2.762 . 0 0 "[ . 1 .]" 1
240 1 11 GLY HA3 1 12 GLU H 3.000 . 3.300 3.396 3.386 3.406 0.106 8 0 "[ . 1 .]" 1
241 1 11 GLY HA2 1 12 GLU H 3.000 . 3.300 3.062 3.041 3.072 . 0 0 "[ . 1 .]" 1
242 1 11 GLY H 1 13 TYR QE 5.000 . 5.300 2.890 2.651 3.098 . 0 0 "[ . 1 .]" 1
243 1 11 GLY QA 1 13 TYR QE 5.000 . 5.300 4.255 4.220 4.311 . 0 0 "[ . 1 .]" 1
244 1 12 GLU H 1 13 TYR QD 5.000 . 5.300 2.599 2.441 2.735 . 0 0 "[ . 1 .]" 1
245 1 12 GLU H 1 13 TYR QE 4.000 . 4.300 2.687 2.649 2.761 . 0 0 "[ . 1 .]" 1
246 1 12 GLU HA 1 13 TYR H 2.200 . 2.500 2.168 2.146 2.185 . 0 0 "[ . 1 .]" 1
247 1 12 GLU HA 1 13 TYR QD 5.000 . 5.300 3.010 2.913 3.079 . 0 0 "[ . 1 .]" 1
248 1 12 GLU HA 1 13 TYR HB2 5.000 . 5.300 4.166 4.146 4.181 . 0 0 "[ . 1 .]" 1
249 1 12 GLU HG3 1 13 TYR H 5.000 . 5.300 2.377 2.313 2.428 . 0 0 "[ . 1 .]" 1
250 1 12 GLU HG2 1 13 TYR H 5.000 . 5.300 2.956 2.833 3.050 . 0 0 "[ . 1 .]" 1
251 1 12 GLU HG3 1 13 TYR QB 5.000 . 5.300 4.772 4.742 4.795 . 0 0 "[ . 1 .]" 1
252 1 12 GLU HG2 1 13 TYR QB 5.000 . 5.300 4.770 4.753 4.805 . 0 0 "[ . 1 .]" 1
253 1 13 TYR HA 1 14 ALA H 2.200 . 2.500 2.530 2.500 2.569 0.069 5 0 "[ . 1 .]" 1
254 1 13 TYR HB3 1 14 ALA H 4.000 . 4.300 4.344 4.325 4.359 0.059 5 0 "[ . 1 .]" 1
255 1 13 TYR QB 1 32 VAL MG1 3.000 . 3.300 2.552 2.499 2.637 . 0 0 "[ . 1 .]" 1
256 1 13 TYR QB 1 32 VAL MG2 3.000 . 3.300 1.919 1.816 2.099 . 0 0 "[ . 1 .]" 1
257 1 13 TYR QE 1 32 VAL HA 4.000 . 4.300 2.055 1.995 2.106 . 0 0 "[ . 1 .]" 1
258 1 13 TYR QD 1 32 VAL HB 5.000 . 5.300 4.066 3.797 4.195 . 0 0 "[ . 1 .]" 1
259 1 13 TYR QE 1 32 VAL HB 5.000 . 5.300 4.948 4.906 4.994 . 0 0 "[ . 1 .]" 1
260 1 13 TYR QD 1 32 VAL MG1 4.000 . 4.300 2.664 2.326 2.888 . 0 0 "[ . 1 .]" 1
261 1 13 TYR QD 1 32 VAL MG2 4.000 . 4.300 1.835 1.764 1.940 0.036 10 0 "[ . 1 .]" 1
262 1 13 TYR QE 1 32 VAL MG1 5.000 . 5.300 3.327 3.040 3.515 . 0 0 "[ . 1 .]" 1
263 1 13 TYR QE 1 32 VAL MG2 5.000 . 5.300 3.744 3.609 3.859 . 0 0 "[ . 1 .]" 1
264 1 13 TYR QD 1 33 PRO HD3 5.000 . 5.300 3.418 2.865 3.854 . 0 0 "[ . 1 .]" 1
265 1 13 TYR QD 1 33 PRO HD2 5.000 . 5.300 3.622 3.047 4.295 . 0 0 "[ . 1 .]" 1
266 1 13 TYR QE 1 33 PRO HD3 5.000 . 5.300 2.117 1.848 2.397 . 0 0 "[ . 1 .]" 1
267 1 13 TYR QE 1 33 PRO HD2 4.000 . 4.300 3.162 2.454 3.900 . 0 0 "[ . 1 .]" 1
268 1 13 TYR QD 1 33 PRO HG3 5.000 . 5.300 4.808 4.692 4.917 . 0 0 "[ . 1 .]" 1
269 1 13 TYR QD 1 33 PRO HG2 5.000 . 5.300 4.797 4.631 5.003 . 0 0 "[ . 1 .]" 1
270 1 13 TYR QE 1 33 PRO HG3 4.000 . 4.300 3.228 2.901 3.529 . 0 0 "[ . 1 .]" 1
271 1 13 TYR QE 1 33 PRO HG2 4.000 . 4.300 3.819 3.562 3.959 . 0 0 "[ . 1 .]" 1
272 1 14 ALA HA 1 15 VAL H 2.200 . 2.500 2.190 2.140 2.223 . 0 0 "[ . 1 .]" 1
273 1 14 ALA HA 1 15 VAL MG1 5.000 . 5.300 3.884 3.803 4.010 . 0 0 "[ . 1 .]" 1
274 1 14 ALA MB 1 15 VAL HA 5.000 . 5.300 3.838 3.771 3.943 . 0 0 "[ . 1 .]" 1
275 1 15 VAL H 1 16 ASP H 5.000 . 5.300 4.172 4.158 4.190 . 0 0 "[ . 1 .]" 1
276 1 15 VAL HA 1 16 ASP H 2.200 . 2.500 2.791 2.759 2.819 0.319 11 0 "[ . 1 .]" 1
277 1 15 VAL HB 1 16 ASP H 4.000 . 4.300 3.353 3.330 3.389 . 0 0 "[ . 1 .]" 1
278 1 15 VAL MG1 1 16 ASP H 4.000 . 4.300 2.063 2.016 2.114 . 0 0 "[ . 1 .]" 1
279 1 15 VAL MG2 1 16 ASP H 4.000 . 4.300 1.648 1.610 1.669 0.190 5 0 "[ . 1 .]" 1
280 1 15 VAL MG1 1 16 ASP HB2 5.000 . 5.300 4.496 4.468 4.517 . 0 0 "[ . 1 .]" 1
281 1 15 VAL MG2 1 16 ASP HB2 4.000 . 4.300 3.659 3.627 3.682 . 0 0 "[ . 1 .]" 1
282 1 15 VAL MG1 1 26 VAL HA 5.000 . 5.300 4.158 4.062 4.220 . 0 0 "[ . 1 .]" 1
283 1 15 VAL MG1 1 26 VAL MG1 5.000 . 5.300 1.642 1.613 1.660 0.187 4 0 "[ . 1 .]" 1
284 1 15 VAL MG1 1 26 VAL MG2 5.000 . 5.300 2.918 2.823 2.994 . 0 0 "[ . 1 .]" 1
285 1 15 VAL MG2 1 26 VAL MG1 5.000 . 5.300 1.606 1.457 1.678 0.343 4 0 "[ . 1 .]" 1
286 1 15 VAL MG2 1 26 VAL MG2 5.000 2.800 5.300 3.913 3.880 4.004 . 0 0 "[ . 1 .]" 1
287 1 15 VAL MG1 1 30 ASN H 5.000 . 5.300 4.620 4.587 4.658 . 0 0 "[ . 1 .]" 1
288 1 15 VAL MG2 1 30 ASN H 5.000 . 5.300 3.438 3.367 3.510 . 0 0 "[ . 1 .]" 1
289 1 15 VAL MG1 1 30 ASN HB3 5.000 . 5.300 3.440 3.323 3.553 . 0 0 "[ . 1 .]" 1
290 1 15 VAL MG2 1 30 ASN HB3 4.000 . 4.300 1.801 1.778 1.826 0.022 13 0 "[ . 1 .]" 1
291 1 15 VAL MG1 1 30 ASN HB2 5.000 . 5.300 3.965 3.893 4.031 . 0 0 "[ . 1 .]" 1
292 1 15 VAL MG2 1 30 ASN HB2 4.000 . 4.300 3.158 3.141 3.171 . 0 0 "[ . 1 .]" 1
293 1 15 VAL MG1 1 30 ASN HD21 4.000 . 4.300 2.739 2.680 2.773 . 0 0 "[ . 1 .]" 1
294 1 15 VAL MG2 1 30 ASN HD21 4.000 . 4.300 3.412 3.355 3.472 . 0 0 "[ . 1 .]" 1
295 1 15 VAL MG1 1 30 ASN HD22 4.000 . 4.300 2.138 2.023 2.212 . 0 0 "[ . 1 .]" 1
296 1 15 VAL MG2 1 30 ASN HD22 4.000 . 4.300 3.119 3.041 3.198 . 0 0 "[ . 1 .]" 1
297 1 15 VAL MG1 1 32 VAL MG2 5.000 . 5.300 3.718 3.695 3.748 . 0 0 "[ . 1 .]" 1
298 1 15 VAL MG2 1 32 VAL MG2 5.000 2.800 5.300 3.827 3.811 3.848 . 0 0 "[ . 1 .]" 1
299 1 16 ASP HA 1 17 ALA H 2.200 . 2.500 2.342 2.302 2.380 . 0 0 "[ . 1 .]" 1
300 1 16 ASP HB3 1 17 ALA H 4.000 . 4.300 2.551 2.512 2.617 . 0 0 "[ . 1 .]" 1
301 1 16 ASP HB2 1 17 ALA MB 5.000 . 5.300 4.648 4.590 4.687 . 0 0 "[ . 1 .]" 1
302 1 16 ASP HB3 1 17 ALA MB 5.000 . 5.300 4.559 4.535 4.613 . 0 0 "[ . 1 .]" 1
303 1 17 ALA HA 1 18 GLN H 2.200 . 2.500 2.608 2.564 2.638 0.138 5 0 "[ . 1 .]" 1
304 1 17 ALA MB 1 18 GLN H 3.000 . 3.300 2.232 2.160 2.296 . 0 0 "[ . 1 .]" 1
305 1 17 ALA HA 1 26 VAL MG1 4.000 . 4.300 2.690 2.542 2.945 . 0 0 "[ . 1 .]" 1
306 1 17 ALA HA 1 26 VAL MG2 4.000 . 4.300 3.523 3.412 3.595 . 0 0 "[ . 1 .]" 1
307 1 17 ALA MB 1 26 VAL HA 5.000 . 5.300 4.525 4.496 4.546 . 0 0 "[ . 1 .]" 1
308 1 17 ALA MB 1 26 VAL MG1 4.000 . 4.300 2.643 2.568 2.723 . 0 0 "[ . 1 .]" 1
309 1 17 ALA MB 1 26 VAL MG2 4.000 . 4.300 2.306 2.255 2.377 . 0 0 "[ . 1 .]" 1
310 1 17 ALA MB 1 90 ILE MG 3.000 . 3.300 2.466 2.425 2.511 . 0 0 "[ . 1 .]" 1
311 1 17 ALA MB 1 90 ILE MD 3.000 . 3.300 1.732 1.686 1.767 0.114 14 0 "[ . 1 .]" 1
312 1 18 GLN HA 1 19 ASP H 2.200 . 2.500 2.173 2.142 2.197 . 0 0 "[ . 1 .]" 1
313 1 18 GLN QB 1 19 ASP H 5.000 . 5.300 3.134 2.969 3.292 . 0 0 "[ . 1 .]" 1
314 1 18 GLN HG3 1 19 ASP H 5.000 . 5.300 5.281 5.004 5.454 0.154 6 0 "[ . 1 .]" 1
315 1 18 GLN HG2 1 19 ASP H 5.000 . 5.300 4.808 4.518 5.071 . 0 0 "[ . 1 .]" 1
316 1 18 GLN QG 1 19 ASP H 5.000 . 5.300 4.455 4.229 4.638 . 0 0 "[ . 1 .]" 1
317 1 18 GLN H 1 20 GLY H 5.000 . 5.300 5.082 4.898 5.249 . 0 0 "[ . 1 .]" 1
318 1 18 GLN H 1 21 GLN H 4.000 . 4.300 3.760 3.465 4.035 . 0 0 "[ . 1 .]" 1
319 1 18 GLN H 1 90 ILE MG 5.000 . 5.300 3.322 3.207 3.525 . 0 0 "[ . 1 .]" 1
320 1 18 GLN H 1 90 ILE MD 5.000 . 5.300 3.719 3.591 3.872 . 0 0 "[ . 1 .]" 1
321 1 19 ASP H 1 20 GLY H 5.000 . 5.300 4.337 4.257 4.402 . 0 0 "[ . 1 .]" 1
322 1 19 ASP HA 1 20 GLY H 2.200 . 2.500 2.088 2.055 2.135 . 0 0 "[ . 1 .]" 1
323 1 19 ASP HB3 1 20 GLY H 5.000 . 5.300 3.669 3.580 3.810 . 0 0 "[ . 1 .]" 1
324 1 19 ASP HB2 1 20 GLY H 5.000 . 5.300 4.190 3.927 4.361 . 0 0 "[ . 1 .]" 1
325 1 19 ASP H 1 21 GLN H 5.000 . 5.300 4.813 4.641 4.940 . 0 0 "[ . 1 .]" 1
326 1 19 ASP HA 1 21 GLN H 4.000 . 4.300 3.431 3.298 3.594 . 0 0 "[ . 1 .]" 1
327 1 19 ASP H 1 90 ILE MG 5.000 . 5.300 2.377 2.240 2.519 . 0 0 "[ . 1 .]" 1
328 1 19 ASP HA 1 90 ILE HB 5.000 . 5.300 2.276 1.875 2.688 . 0 0 "[ . 1 .]" 1
329 1 19 ASP HA 1 90 ILE QG 5.000 . 5.300 4.046 3.727 4.345 . 0 0 "[ . 1 .]" 1
330 1 19 ASP HA 1 90 ILE MG 3.000 . 3.300 1.691 1.650 1.732 0.150 3 0 "[ . 1 .]" 1
331 1 19 ASP HA 1 90 ILE MD 5.000 . 5.300 4.266 4.078 4.391 . 0 0 "[ . 1 .]" 1
332 1 19 ASP HA 1 91 ASP H 5.000 . 5.300 3.257 2.996 3.602 . 0 0 "[ . 1 .]" 1
333 1 19 ASP HA 1 91 ASP HA 4.000 . 4.300 2.775 2.296 3.279 . 0 0 "[ . 1 .]" 1
334 1 19 ASP HB3 1 91 ASP H 5.000 . 5.300 4.180 3.872 4.419 . 0 0 "[ . 1 .]" 1
335 1 19 ASP HB2 1 91 ASP H 5.000 . 5.300 5.529 5.459 5.627 0.327 1 0 "[ . 1 .]" 1
336 1 20 GLY H 1 21 GLN H 3.000 . 3.300 2.032 1.954 2.078 . 0 0 "[ . 1 .]" 1
337 1 20 GLY H 1 21 GLN QB 5.000 . 5.300 4.365 4.208 4.729 . 0 0 "[ . 1 .]" 1
338 1 20 GLY H 1 90 ILE H 5.000 . 5.300 2.858 2.702 3.052 . 0 0 "[ . 1 .]" 1
339 1 20 GLY H 1 90 ILE HB 5.000 . 5.300 2.225 2.070 2.296 . 0 0 "[ . 1 .]" 1
340 1 20 GLY H 1 91 ASP HA 4.000 . 4.300 4.169 3.823 4.333 0.033 13 0 "[ . 1 .]" 1
341 1 21 GLN H 1 22 SER H 5.000 . 5.300 4.482 4.436 4.506 . 0 0 "[ . 1 .]" 1
342 1 21 GLN HA 1 22 SER H 2.200 . 2.500 2.264 2.195 2.371 . 0 0 "[ . 1 .]" 1
343 1 21 GLN QB 1 22 SER H 3.000 . 3.300 2.735 2.570 2.926 . 0 0 "[ . 1 .]" 1
344 1 21 GLN HG3 1 22 SER H 5.000 . 5.300 4.756 4.639 4.974 . 0 0 "[ . 1 .]" 1
345 1 21 GLN HG2 1 22 SER H 5.000 . 5.300 4.249 4.020 4.666 . 0 0 "[ . 1 .]" 1
346 1 21 GLN HE21 1 26 VAL HA 5.000 . 5.300 4.468 4.305 5.031 . 0 0 "[ . 1 .]" 1
347 1 21 GLN HE22 1 26 VAL HA 5.000 . 5.300 4.965 4.727 5.094 . 0 0 "[ . 1 .]" 1
348 1 21 GLN HE21 1 26 VAL MG2 5.000 . 5.300 3.363 3.181 3.774 . 0 0 "[ . 1 .]" 1
349 1 21 GLN HE22 1 26 VAL MG2 5.000 . 5.300 4.430 4.322 4.451 . 0 0 "[ . 1 .]" 1
350 1 21 GLN HA 1 89 PHE QD 4.000 . 4.300 3.422 2.198 3.935 . 0 0 "[ . 1 .]" 1
351 1 21 GLN H 1 90 ILE H 4.000 . 4.300 2.528 2.405 2.777 . 0 0 "[ . 1 .]" 1
352 1 21 GLN H 1 90 ILE HG13 5.000 . 5.300 3.348 3.268 3.438 . 0 0 "[ . 1 .]" 1
353 1 21 GLN H 1 90 ILE HG12 5.000 . 5.300 3.741 3.567 3.887 . 0 0 "[ . 1 .]" 1
354 1 21 GLN H 1 90 ILE MG 5.000 . 5.300 3.738 3.520 3.959 . 0 0 "[ . 1 .]" 1
355 1 21 GLN H 1 90 ILE MD 5.000 . 5.300 4.584 4.546 4.656 . 0 0 "[ . 1 .]" 1
356 1 22 SER HA 1 23 LEU H 3.000 . 3.300 2.592 2.458 2.774 . 0 0 "[ . 1 .]" 1
357 1 22 SER HB3 1 23 LEU H 5.000 . 5.300 3.642 3.296 3.926 . 0 0 "[ . 1 .]" 1
358 1 22 SER HB2 1 23 LEU H 5.000 . 5.300 2.239 1.860 2.673 . 0 0 "[ . 1 .]" 1
359 1 22 SER OG 1 25 GLU H 4.000 . 4.300 2.834 2.329 3.416 . 0 0 "[ . 1 .]" 1
360 1 22 SER HA 1 88 VAL MG1 5.000 . 5.300 3.627 3.186 4.236 . 0 0 "[ . 1 .]" 1
361 1 22 SER HB3 1 88 VAL H 5.000 . 5.300 3.651 2.798 4.636 . 0 0 "[ . 1 .]" 1
362 1 22 SER HB2 1 88 VAL H 5.000 . 5.300 3.079 2.799 3.660 . 0 0 "[ . 1 .]" 1
363 1 22 SER H 1 89 PHE QD 5.000 . 5.300 3.227 2.246 3.938 . 0 0 "[ . 1 .]" 1
364 1 22 SER H 1 89 PHE QE 5.000 . 5.300 3.921 3.044 4.303 . 0 0 "[ . 1 .]" 1
365 1 22 SER HA 1 89 PHE H 5.000 . 5.300 4.545 4.285 4.691 . 0 0 "[ . 1 .]" 1
366 1 22 SER HA 1 89 PHE HA 2.200 . 2.500 2.298 1.902 2.499 . 0 0 "[ . 1 .]" 1
367 1 22 SER HA 1 89 PHE HB3 5.000 . 5.300 4.487 4.052 4.749 . 0 0 "[ . 1 .]" 1
368 1 22 SER HA 1 89 PHE HB2 5.000 . 5.300 5.239 4.770 5.467 0.167 4 0 "[ . 1 .]" 1
369 1 22 SER HA 1 89 PHE QD 4.000 . 4.300 3.145 2.756 3.840 . 0 0 "[ . 1 .]" 1
370 1 22 SER HA 1 89 PHE QE 5.000 . 5.300 4.594 4.385 4.737 . 0 0 "[ . 1 .]" 1
371 1 22 SER HB3 1 89 PHE QD 5.000 . 5.300 2.310 1.814 3.495 . 0 0 "[ . 1 .]" 1
372 1 22 SER HB3 1 89 PHE QE 4.000 . 4.300 2.428 2.110 3.223 . 0 0 "[ . 1 .]" 1
373 1 22 SER HB2 1 89 PHE QD 5.000 . 5.300 3.557 2.886 3.978 . 0 0 "[ . 1 .]" 1
374 1 22 SER HB2 1 89 PHE QE 4.000 . 4.300 3.713 3.279 3.916 . 0 0 "[ . 1 .]" 1
375 1 22 SER HA 1 90 ILE H 3.000 . 3.300 3.318 3.153 3.402 0.102 1 0 "[ . 1 .]" 1
376 1 23 LEU H 1 24 MET H 3.000 . 3.300 2.542 2.360 2.631 . 0 0 "[ . 1 .]" 1
377 1 23 LEU HA 1 24 MET H 4.000 . 4.300 3.184 3.027 3.423 . 0 0 "[ . 1 .]" 1
378 1 23 LEU HA 1 25 GLU H 4.000 . 4.300 4.031 3.877 4.251 . 0 0 "[ . 1 .]" 1
379 1 23 LEU HA 1 26 VAL H 3.000 . 3.300 3.365 3.310 3.418 0.118 15 0 "[ . 1 .]" 1
380 1 23 LEU HA 1 26 VAL HB 4.000 . 4.300 3.748 3.419 3.951 . 0 0 "[ . 1 .]" 1
381 1 23 LEU HA 1 27 ALA H 4.000 . 4.300 3.911 3.696 4.187 . 0 0 "[ . 1 .]" 1
382 1 23 LEU H 1 88 VAL H 4.000 . 4.300 4.440 4.353 4.548 0.248 9 0 "[ . 1 .]" 1
383 1 24 MET H 1 25 GLU H 3.000 . 3.300 2.074 1.873 2.697 . 0 0 "[ . 1 .]" 1
384 1 24 MET H 1 26 VAL H 4.000 . 4.300 3.642 3.482 4.121 . 0 0 "[ . 1 .]" 1
385 1 24 MET H 1 26 VAL MG2 4.000 . 4.300 3.636 3.540 3.808 . 0 0 "[ . 1 .]" 1
386 1 25 GLU H 1 26 VAL H 3.000 . 3.300 2.432 2.354 2.535 . 0 0 "[ . 1 .]" 1
387 1 25 GLU H 1 26 VAL HA 5.000 . 5.300 5.023 4.953 5.115 . 0 0 "[ . 1 .]" 1
388 1 25 GLU HA 1 26 VAL H 4.000 . 4.300 3.558 3.528 3.571 . 0 0 "[ . 1 .]" 1
389 1 25 GLU QB 1 26 VAL H 4.000 . 4.300 2.794 2.588 3.488 . 0 0 "[ . 1 .]" 1
390 1 25 GLU QG 1 26 VAL H 4.000 . 4.300 3.495 1.921 3.849 . 0 0 "[ . 1 .]" 1
391 1 25 GLU H 1 27 ALA H 4.000 . 4.300 4.170 4.040 4.292 . 0 0 "[ . 1 .]" 1
392 1 25 GLU HA 1 27 ALA H 4.000 . 4.300 4.495 4.394 4.641 0.341 14 0 "[ . 1 .]" 1
393 1 25 GLU HA 1 28 THR H 4.000 . 4.300 3.678 3.610 3.781 . 0 0 "[ . 1 .]" 1
394 1 25 GLU HA 1 28 THR HB 5.000 . 5.300 5.284 5.173 5.319 0.019 11 0 "[ . 1 .]" 1
395 1 25 GLU HA 1 28 THR MG 5.000 . 5.300 2.337 2.227 2.500 . 0 0 "[ . 1 .]" 1
396 1 25 GLU HA 1 29 GLN H 4.000 . 4.300 4.499 4.458 4.542 0.242 1 0 "[ . 1 .]" 1
397 1 26 VAL H 1 27 ALA H 4.000 . 4.300 2.782 2.721 2.843 . 0 0 "[ . 1 .]" 1
398 1 26 VAL HA 1 27 ALA H 4.000 . 4.300 3.492 3.478 3.515 . 0 0 "[ . 1 .]" 1
399 1 26 VAL HB 1 27 ALA H 4.000 . 4.300 2.242 2.097 2.309 . 0 0 "[ . 1 .]" 1
400 1 26 VAL MG1 1 27 ALA H 4.000 . 4.300 3.707 3.630 3.737 . 0 0 "[ . 1 .]" 1
401 1 26 VAL HA 1 28 THR H 5.000 . 5.300 5.034 4.953 5.083 . 0 0 "[ . 1 .]" 1
402 1 26 VAL HA 1 29 GLN H 4.000 . 4.300 3.521 3.488 3.574 . 0 0 "[ . 1 .]" 1
403 1 26 VAL HA 1 29 GLN QB 3.000 . 3.300 2.429 2.359 2.523 . 0 0 "[ . 1 .]" 1
404 1 26 VAL HA 1 30 ASN H 5.000 . 5.300 4.165 4.107 4.219 . 0 0 "[ . 1 .]" 1
405 1 26 VAL HA 1 30 ASN HD21 5.000 . 5.300 5.318 5.240 5.347 0.047 1 0 "[ . 1 .]" 1
406 1 26 VAL HA 1 30 ASN HD22 4.000 . 4.300 3.792 3.696 3.839 . 0 0 "[ . 1 .]" 1
407 1 26 VAL MG1 1 30 ASN HD21 5.000 . 5.300 3.734 3.418 3.848 . 0 0 "[ . 1 .]" 1
408 1 26 VAL MG1 1 30 ASN HD22 5.000 . 5.300 2.623 2.257 2.763 . 0 0 "[ . 1 .]" 1
409 1 26 VAL MG2 1 30 ASN HD21 5.000 . 5.300 4.628 4.605 4.646 . 0 0 "[ . 1 .]" 1
410 1 26 VAL MG2 1 30 ASN HD22 5.000 . 5.300 3.321 3.300 3.341 . 0 0 "[ . 1 .]" 1
411 1 27 ALA H 1 28 THR H 4.000 . 4.300 3.449 3.381 3.485 . 0 0 "[ . 1 .]" 1
412 1 27 ALA HA 1 28 THR H 4.000 . 4.300 3.522 3.517 3.531 . 0 0 "[ . 1 .]" 1
413 1 27 ALA MB 1 28 THR H 3.000 . 3.300 1.886 1.860 1.955 . 0 0 "[ . 1 .]" 1
414 1 27 ALA MB 1 28 THR HA 5.000 . 5.300 3.434 3.411 3.464 . 0 0 "[ . 1 .]" 1
415 1 27 ALA MB 1 28 THR HB 5.000 . 5.300 4.513 4.497 4.531 . 0 0 "[ . 1 .]" 1
416 1 27 ALA HA 1 29 GLN H 5.000 . 5.300 4.097 4.004 4.188 . 0 0 "[ . 1 .]" 1
417 1 27 ALA HA 1 30 ASN H 4.000 . 4.300 3.223 3.194 3.283 . 0 0 "[ . 1 .]" 1
418 1 27 ALA HA 1 30 ASN HB3 4.000 . 4.300 4.461 4.438 4.505 0.205 3 0 "[ . 1 .]" 1
419 1 27 ALA HA 1 30 ASN HB2 4.000 . 4.300 3.169 3.133 3.203 . 0 0 "[ . 1 .]" 1
420 1 27 ALA HA 1 30 ASN HD21 5.000 . 5.300 2.169 2.125 2.297 . 0 0 "[ . 1 .]" 1
421 1 27 ALA HA 1 31 GLY H 5.000 . 5.300 4.700 4.643 4.737 . 0 0 "[ . 1 .]" 1
422 1 27 ALA HA 1 32 VAL H 4.000 . 4.300 3.352 3.251 3.443 . 0 0 "[ . 1 .]" 1
423 1 27 ALA HA 1 32 VAL HB 3.000 . 3.300 2.271 2.177 2.417 . 0 0 "[ . 1 .]" 1
424 1 27 ALA HA 1 32 VAL MG1 4.000 . 4.300 3.002 2.946 3.094 . 0 0 "[ . 1 .]" 1
425 1 27 ALA HA 1 32 VAL MG2 3.000 . 3.300 1.652 1.624 1.675 0.176 8 0 "[ . 1 .]" 1
426 1 27 ALA MB 1 32 VAL H 5.000 . 5.300 3.910 3.658 4.060 . 0 0 "[ . 1 .]" 1
427 1 27 ALA MB 1 32 VAL MG1 5.000 . 5.300 2.144 1.988 2.367 . 0 0 "[ . 1 .]" 1
428 1 27 ALA MB 1 32 VAL MG2 5.000 . 5.300 2.654 2.601 2.695 . 0 0 "[ . 1 .]" 1
429 1 28 THR H 1 29 GLN H 4.000 . 4.300 2.773 2.763 2.794 . 0 0 "[ . 1 .]" 1
430 1 28 THR HA 1 29 GLN H 4.000 . 4.300 3.477 3.462 3.500 . 0 0 "[ . 1 .]" 1
431 1 28 THR H 1 30 ASN H 4.000 . 4.300 4.105 4.069 4.156 . 0 0 "[ . 1 .]" 1
432 1 28 THR HA 1 30 ASN H 4.000 . 4.300 4.240 4.207 4.302 0.002 14 0 "[ . 1 .]" 1
433 1 28 THR HA 1 31 GLY H 4.000 . 4.300 3.646 3.515 3.769 . 0 0 "[ . 1 .]" 1
434 1 28 THR HA 1 32 VAL MG2 5.000 . 5.300 4.451 4.421 4.497 . 0 0 "[ . 1 .]" 1
435 1 29 GLN H 1 30 ASN H 3.000 . 3.300 2.390 2.342 2.419 . 0 0 "[ . 1 .]" 1
436 1 29 GLN H 1 30 ASN HD21 5.000 . 5.300 5.360 5.343 5.406 0.106 10 0 "[ . 1 .]" 1
437 1 29 GLN HA 1 30 ASN H 3.000 . 3.300 3.472 3.467 3.475 0.175 14 0 "[ . 1 .]" 1
438 1 29 GLN QB 1 30 ASN H 4.000 . 4.300 2.792 2.752 2.849 . 0 0 "[ . 1 .]" 1
439 1 29 GLN H 1 31 GLY H 4.000 . 4.300 3.850 3.771 3.932 . 0 0 "[ . 1 .]" 1
440 1 29 GLN HA 1 31 GLY H 4.000 . 4.300 3.623 3.574 3.661 . 0 0 "[ . 1 .]" 1
441 1 30 ASN H 1 31 GLY H 3.000 . 3.300 2.542 2.521 2.566 . 0 0 "[ . 1 .]" 1
442 1 30 ASN H 1 31 GLY QA 5.000 . 5.300 4.419 4.383 4.445 . 0 0 "[ . 1 .]" 1
443 1 30 ASN HA 1 31 GLY H 4.000 . 4.300 3.221 3.201 3.236 . 0 0 "[ . 1 .]" 1
444 1 30 ASN HB3 1 31 GLY H 5.000 . 5.300 4.573 4.557 4.596 . 0 0 "[ . 1 .]" 1
445 1 30 ASN HB2 1 31 GLY H 5.000 . 5.300 3.760 3.732 3.808 . 0 0 "[ . 1 .]" 1
446 1 30 ASN HD21 1 31 GLY H 5.000 . 5.300 5.350 5.334 5.370 0.070 8 0 "[ . 1 .]" 1
447 1 30 ASN H 1 32 VAL H 4.000 . 4.300 3.288 3.204 3.341 . 0 0 "[ . 1 .]" 1
448 1 30 ASN HA 1 32 VAL H 4.000 . 4.300 4.226 4.149 4.385 0.085 10 0 "[ . 1 .]" 1
449 1 30 ASN HB3 1 32 VAL MG2 4.000 . 4.300 3.044 3.019 3.064 . 0 0 "[ . 1 .]" 1
450 1 30 ASN HB2 1 32 VAL MG2 4.000 . 4.300 1.657 1.645 1.668 0.155 2 0 "[ . 1 .]" 1
451 1 30 ASN HD22 1 32 VAL MG1 5.000 . 5.300 4.462 4.396 4.543 . 0 0 "[ . 1 .]" 1
452 1 30 ASN HD22 1 32 VAL MG2 5.000 . 5.300 2.786 2.760 2.822 . 0 0 "[ . 1 .]" 1
453 1 31 GLY H 1 32 VAL H 3.000 . 3.300 2.490 2.425 2.543 . 0 0 "[ . 1 .]" 1
454 1 31 GLY H 1 32 VAL HB 5.000 . 5.300 4.706 4.631 4.811 . 0 0 "[ . 1 .]" 1
455 1 31 GLY H 1 32 VAL MG2 5.000 . 5.300 3.427 3.322 3.493 . 0 0 "[ . 1 .]" 1
456 1 31 GLY QA 1 32 VAL H 4.000 . 4.300 2.878 2.825 2.896 . 0 0 "[ . 1 .]" 1
457 1 32 VAL H 1 33 PRO QD 5.000 . 5.300 4.283 4.203 4.398 . 0 0 "[ . 1 .]" 1
458 1 32 VAL HA 1 33 PRO HD3 3.000 . 3.300 2.240 1.878 2.594 . 0 0 "[ . 1 .]" 1
459 1 32 VAL HA 1 33 PRO HD2 3.000 . 3.300 2.536 1.853 3.251 . 0 0 "[ . 1 .]" 1
460 1 32 VAL MG1 1 33 PRO HD3 4.000 . 4.300 2.561 1.806 3.193 . 0 0 "[ . 1 .]" 1
461 1 32 VAL MG1 1 33 PRO HD2 4.000 . 4.300 1.711 1.623 1.803 0.177 9 0 "[ . 1 .]" 1
462 1 32 VAL MG2 1 33 PRO HD3 5.000 . 5.300 4.102 3.599 4.535 . 0 0 "[ . 1 .]" 1
463 1 32 VAL MG2 1 33 PRO HD2 5.000 . 5.300 3.765 3.374 4.223 . 0 0 "[ . 1 .]" 1
464 1 32 VAL MG1 1 34 GLY H 5.000 . 5.300 3.051 2.323 4.574 . 0 0 "[ . 1 .]" 1
465 1 32 VAL HB 1 35 ILE H 5.000 . 5.300 5.124 3.782 5.472 0.172 1 0 "[ . 1 .]" 1
466 1 33 PRO HA 1 34 GLY H 3.000 . 3.300 3.162 2.535 3.489 0.189 13 0 "[ . 1 .]" 1
467 1 33 PRO QD 1 34 GLY H 5.000 . 5.300 3.475 2.694 4.649 . 0 0 "[ . 1 .]" 1
468 1 33 PRO QG 1 34 GLY H 5.000 . 5.300 3.996 3.350 4.853 . 0 0 "[ . 1 .]" 1
469 1 34 GLY H 1 35 ILE H 3.000 . 3.300 3.118 2.687 3.439 0.139 9 0 "[ . 1 .]" 1
470 1 49 ARG HE 1 82 THR MG 4.000 . 4.300 2.929 2.137 3.587 . 0 0 "[ . 1 .]" 1
471 1 50 ILE H 1 51 GLU H 5.000 . 5.300 4.522 4.370 4.617 . 0 0 "[ . 1 .]" 1
472 1 50 ILE HA 1 51 GLU H 2.200 . 2.500 2.445 2.290 2.609 0.109 7 0 "[ . 1 .]" 1
473 1 50 ILE HB 1 51 GLU H 5.000 . 5.300 3.607 2.731 4.018 . 0 0 "[ . 1 .]" 1
474 1 50 ILE H 1 83 ARG H 4.000 . 4.300 4.230 3.920 4.343 0.043 4 0 "[ . 1 .]" 1
475 1 51 GLU H 1 52 ILE H 5.000 . 5.300 4.154 4.023 4.287 . 0 0 "[ . 1 .]" 1
476 1 51 GLU HA 1 52 ILE H 2.200 . 2.500 2.129 2.106 2.149 . 0 0 "[ . 1 .]" 1
477 1 51 GLU QG 1 52 ILE H 4.000 . 4.300 3.778 3.572 3.896 . 0 0 "[ . 1 .]" 1
478 1 51 GLU HA 1 82 THR HA 3.000 . 3.300 2.530 2.252 2.690 . 0 0 "[ . 1 .]" 1
479 1 51 GLU HA 1 82 THR MG 4.000 . 4.300 3.534 3.365 3.603 . 0 0 "[ . 1 .]" 1
480 1 51 GLU HA 1 83 ARG H 5.000 2.800 5.300 3.152 2.877 3.444 . 0 0 "[ . 1 .]" 1
481 1 51 GLU H 1 100 ARG H 3.000 . 3.300 3.207 2.988 3.371 0.071 7 0 "[ . 1 .]" 1
482 1 51 GLU H 1 100 ARG HA 5.000 . 5.300 4.946 4.770 5.099 . 0 0 "[ . 1 .]" 1
483 1 51 GLU H 1 101 VAL HA 3.000 . 3.300 3.261 3.053 3.348 0.048 9 0 "[ . 1 .]" 1
484 1 51 GLU H 1 102 PRO HD3 5.000 . 5.300 3.326 2.567 4.390 . 0 0 "[ . 1 .]" 1
485 1 51 GLU H 1 102 PRO HD2 5.000 . 5.300 4.176 3.565 4.761 . 0 0 "[ . 1 .]" 1
486 1 52 ILE H 1 53 GLU H 5.000 . 5.300 4.688 4.659 4.707 . 0 0 "[ . 1 .]" 1
487 1 52 ILE HA 1 53 GLU H 3.000 . 3.300 2.365 2.312 2.406 . 0 0 "[ . 1 .]" 1
488 1 52 ILE HB 1 53 GLU H 5.000 . 5.300 4.020 3.954 4.204 . 0 0 "[ . 1 .]" 1
489 1 52 ILE HG13 1 53 GLU H 5.000 . 5.300 5.333 5.267 5.394 0.094 9 0 "[ . 1 .]" 1
490 1 52 ILE HG12 1 53 GLU H 5.000 . 5.300 4.919 4.861 4.986 . 0 0 "[ . 1 .]" 1
491 1 52 ILE MG 1 53 GLU H 3.000 . 3.300 2.128 1.918 2.412 . 0 0 "[ . 1 .]" 1
492 1 52 ILE MD 1 53 GLU H 4.000 . 4.300 3.616 3.598 3.640 . 0 0 "[ . 1 .]" 1
493 1 52 ILE MG 1 56 TRP HB3 3.000 . 3.300 2.784 2.730 2.861 . 0 0 "[ . 1 .]" 1
494 1 52 ILE MG 1 56 TRP HB2 3.000 . 3.300 1.873 1.818 1.984 . 0 0 "[ . 1 .]" 1
495 1 52 ILE MG 1 57 VAL HA 3.000 . 3.300 2.742 2.627 2.797 . 0 0 "[ . 1 .]" 1
496 1 52 ILE MD 1 57 VAL HA 5.000 . 5.300 4.513 4.436 4.575 . 0 0 "[ . 1 .]" 1
497 1 52 ILE H 1 81 GLY QA 4.000 . 4.300 3.519 3.103 3.912 . 0 0 "[ . 1 .]" 1
498 1 52 ILE H 1 81 GLY HA3 5.000 . 5.300 3.728 3.206 4.186 . 0 0 "[ . 1 .]" 1
499 1 52 ILE H 1 81 GLY HA2 5.000 . 5.300 4.344 3.639 4.764 . 0 0 "[ . 1 .]" 1
500 1 52 ILE H 1 82 THR H 5.000 . 5.300 5.043 4.774 5.319 0.019 10 0 "[ . 1 .]" 1
501 1 52 ILE H 1 82 THR HA 4.000 . 4.300 3.767 3.359 4.006 . 0 0 "[ . 1 .]" 1
502 1 52 ILE H 1 83 ARG H 4.000 . 4.300 4.074 3.577 4.309 0.009 6 0 "[ . 1 .]" 1
503 1 52 ILE HA 1 99 VAL HA 3.000 . 3.300 2.164 1.978 2.324 . 0 0 "[ . 1 .]" 1
504 1 52 ILE HA 1 99 VAL HB 5.000 . 5.300 4.714 4.585 4.847 . 0 0 "[ . 1 .]" 1
505 1 52 ILE HA 1 99 VAL MG1 3.000 . 3.300 2.183 2.047 2.291 . 0 0 "[ . 1 .]" 1
506 1 52 ILE HA 1 99 VAL MG2 5.000 . 5.300 3.906 3.722 4.031 . 0 0 "[ . 1 .]" 1
507 1 52 ILE MD 1 99 VAL HA 4.000 . 4.300 3.079 2.919 3.232 . 0 0 "[ . 1 .]" 1
508 1 52 ILE MD 1 99 VAL MG1 3.000 . 3.300 2.310 2.286 2.347 . 0 0 "[ . 1 .]" 1
509 1 52 ILE HA 1 100 ARG H 4.000 . 4.300 3.259 2.854 3.506 . 0 0 "[ . 1 .]" 1
510 1 53 GLU H 1 54 ASP H 5.000 . 5.300 4.714 4.666 4.734 . 0 0 "[ . 1 .]" 1
511 1 53 GLU HA 1 54 ASP H 3.000 . 3.300 2.555 2.422 2.695 . 0 0 "[ . 1 .]" 1
512 1 53 GLU HB3 1 54 ASP H 4.000 . 4.300 3.990 3.733 4.233 . 0 0 "[ . 1 .]" 1
513 1 53 GLU HB2 1 54 ASP H 3.000 . 3.300 2.710 2.236 3.125 . 0 0 "[ . 1 .]" 1
514 1 53 GLU QG 1 54 ASP H 4.000 . 4.300 3.058 2.728 3.246 . 0 0 "[ . 1 .]" 1
515 1 53 GLU HA 1 55 ALA H 5.000 . 5.300 4.151 4.108 4.265 . 0 0 "[ . 1 .]" 1
516 1 53 GLU HB3 1 55 ALA H 5.000 . 5.300 4.206 4.135 4.292 . 0 0 "[ . 1 .]" 1
517 1 53 GLU HB2 1 55 ALA H 4.000 . 4.300 3.751 3.345 4.103 . 0 0 "[ . 1 .]" 1
518 1 53 GLU QG 1 55 ALA H 5.000 . 5.300 1.611 1.586 1.681 0.214 13 0 "[ . 1 .]" 1
519 1 53 GLU H 1 56 TRP H 5.000 . 5.300 4.396 4.349 4.477 . 0 0 "[ . 1 .]" 1
520 1 53 GLU H 1 56 TRP HD1 4.000 . 4.300 4.248 4.038 4.436 0.136 8 0 "[ . 1 .]" 1
521 1 53 GLU H 1 56 TRP HB3 5.000 . 5.300 5.389 5.330 5.433 0.133 4 0 "[ . 1 .]" 1
522 1 53 GLU H 1 56 TRP HB2 5.000 . 5.300 3.756 3.695 3.818 . 0 0 "[ . 1 .]" 1
523 1 53 GLU HA 1 56 TRP HD1 5.000 . 5.300 5.202 4.976 5.435 0.135 6 0 "[ . 1 .]" 1
524 1 53 GLU HB2 1 56 TRP HE1 5.000 . 5.300 5.394 5.325 5.461 0.161 9 0 "[ . 1 .]" 1
525 1 53 GLU H 1 98 ILE MG 4.000 . 4.300 3.324 3.083 3.593 . 0 0 "[ . 1 .]" 1
526 1 53 GLU H 1 98 ILE MD 5.000 . 5.300 4.736 4.704 4.777 . 0 0 "[ . 1 .]" 1
527 1 53 GLU H 1 99 VAL HA 3.000 . 3.300 2.590 2.516 2.687 . 0 0 "[ . 1 .]" 1
528 1 53 GLU H 1 99 VAL HB 5.000 . 5.300 5.430 5.308 5.551 0.251 9 0 "[ . 1 .]" 1
529 1 53 GLU H 1 99 VAL MG1 4.000 . 4.300 3.794 3.749 3.874 . 0 0 "[ . 1 .]" 1
530 1 53 GLU H 1 99 VAL MG2 5.000 . 5.300 4.366 4.128 4.457 . 0 0 "[ . 1 .]" 1
531 1 53 GLU H 1 100 ARG H 5.000 . 5.300 4.215 3.745 4.559 . 0 0 "[ . 1 .]" 1
532 1 54 ASP H 1 55 ALA H 3.000 . 3.300 2.903 2.755 3.104 . 0 0 "[ . 1 .]" 1
533 1 54 ASP HA 1 55 ALA H 4.000 . 4.300 2.983 2.914 3.033 . 0 0 "[ . 1 .]" 1
534 1 54 ASP H 1 56 TRP H 5.000 . 5.300 4.516 4.412 4.651 . 0 0 "[ . 1 .]" 1
535 1 54 ASP HA 1 56 TRP H 4.000 . 4.300 3.947 3.884 4.040 . 0 0 "[ . 1 .]" 1
536 1 54 ASP HA 1 56 TRP HD1 5.000 . 5.300 5.462 5.398 5.530 0.230 8 0 "[ . 1 .]" 1
537 1 54 ASP HA 1 57 VAL H 4.000 . 4.300 3.594 3.519 3.657 . 0 0 "[ . 1 .]" 1
538 1 54 ASP HA 1 57 VAL HB 5.000 . 5.300 3.979 3.902 4.115 . 0 0 "[ . 1 .]" 1
539 1 54 ASP HA 1 58 GLU H 5.000 . 5.300 5.383 5.345 5.424 0.124 5 0 "[ . 1 .]" 1
540 1 55 ALA H 1 56 TRP H 3.000 . 3.300 1.838 1.825 1.851 . 0 0 "[ . 1 .]" 1
541 1 55 ALA H 1 56 TRP HB3 5.000 . 5.300 5.408 5.379 5.426 0.126 14 0 "[ . 1 .]" 1
542 1 55 ALA H 1 56 TRP HB2 5.000 . 5.300 4.058 3.993 4.091 . 0 0 "[ . 1 .]" 1
543 1 55 ALA H 1 56 TRP HD1 5.000 . 5.300 2.639 2.570 2.717 . 0 0 "[ . 1 .]" 1
544 1 55 ALA HA 1 56 TRP H 4.000 . 4.300 3.447 3.434 3.461 . 0 0 "[ . 1 .]" 1
545 1 55 ALA HA 1 56 TRP HD1 5.000 . 5.300 4.182 4.040 4.372 . 0 0 "[ . 1 .]" 1
546 1 55 ALA MB 1 56 TRP H 3.000 . 3.300 2.790 2.775 2.819 . 0 0 "[ . 1 .]" 1
547 1 55 ALA MB 1 56 TRP HE1 4.000 . 4.300 2.467 2.377 2.548 . 0 0 "[ . 1 .]" 1
548 1 55 ALA MB 1 56 TRP HD1 3.000 . 3.300 1.991 1.914 2.099 . 0 0 "[ . 1 .]" 1
549 1 55 ALA MB 1 56 TRP HZ2 5.000 . 5.300 4.556 4.510 4.598 . 0 0 "[ . 1 .]" 1
550 1 55 ALA H 1 57 VAL H 4.000 . 4.300 3.433 3.352 3.498 . 0 0 "[ . 1 .]" 1
551 1 55 ALA HA 1 57 VAL H 4.000 . 4.300 4.227 4.100 4.338 0.038 3 0 "[ . 1 .]" 1
552 1 55 ALA MB 1 57 VAL H 5.000 3.800 5.300 4.501 4.470 4.530 . 0 0 "[ . 1 .]" 1
553 1 56 TRP H 1 57 VAL H 3.000 . 3.300 2.409 2.307 2.453 . 0 0 "[ . 1 .]" 1
554 1 56 TRP H 1 57 VAL HA 5.000 . 5.300 4.698 4.666 4.749 . 0 0 "[ . 1 .]" 1
555 1 56 TRP HA 1 57 VAL H 4.000 . 4.300 3.270 3.208 3.359 . 0 0 "[ . 1 .]" 1
556 1 56 TRP HB3 1 57 VAL H 4.000 . 4.300 4.285 4.151 4.338 0.038 5 0 "[ . 1 .]" 1
557 1 56 TRP HB2 1 57 VAL H 4.000 . 4.300 3.557 3.321 3.655 . 0 0 "[ . 1 .]" 1
558 1 56 TRP HA 1 58 GLU H 5.000 . 5.300 3.690 3.633 3.825 . 0 0 "[ . 1 .]" 1
559 1 56 TRP HB3 1 58 GLU H 5.000 . 5.300 5.353 5.330 5.395 0.095 10 0 "[ . 1 .]" 1
560 1 56 TRP HB2 1 58 GLU H 5.000 . 5.300 5.366 5.345 5.385 0.085 7 0 "[ . 1 .]" 1
561 1 56 TRP HA 1 59 ILE H 4.000 . 4.300 2.791 2.748 2.890 . 0 0 "[ . 1 .]" 1
562 1 56 TRP HA 1 59 ILE HB 4.000 . 4.300 1.783 1.755 1.809 0.045 15 0 "[ . 1 .]" 1
563 1 56 TRP HA 1 59 ILE HG13 4.000 . 4.300 3.232 3.142 3.355 . 0 0 "[ . 1 .]" 1
564 1 56 TRP HA 1 59 ILE HG12 4.000 . 4.300 3.936 3.857 4.016 . 0 0 "[ . 1 .]" 1
565 1 56 TRP HA 1 59 ILE MG 4.000 . 4.300 3.370 3.306 3.404 . 0 0 "[ . 1 .]" 1
566 1 56 TRP HA 1 59 ILE MD 4.000 . 4.300 1.855 1.786 1.948 0.014 6 0 "[ . 1 .]" 1
567 1 56 TRP HB3 1 59 ILE H 5.000 . 5.300 3.973 3.926 4.017 . 0 0 "[ . 1 .]" 1
568 1 56 TRP HB2 1 59 ILE H 5.000 . 5.300 4.712 4.672 4.746 . 0 0 "[ . 1 .]" 1
569 1 56 TRP HE3 1 59 ILE HB 3.000 . 3.300 3.022 2.948 3.088 . 0 0 "[ . 1 .]" 1
570 1 56 TRP HE3 1 59 ILE MG 3.000 . 3.300 1.859 1.790 1.945 0.010 2 0 "[ . 1 .]" 1
571 1 56 TRP HE3 1 59 ILE QG 4.000 . 4.300 3.961 3.924 3.988 . 0 0 "[ . 1 .]" 1
572 1 56 TRP HZ3 1 59 ILE QG 5.000 . 5.300 4.710 4.668 4.742 . 0 0 "[ . 1 .]" 1
573 1 56 TRP HZ3 1 59 ILE MG 5.000 . 5.300 2.964 2.889 3.058 . 0 0 "[ . 1 .]" 1
574 1 56 TRP HE3 1 59 ILE MD 3.000 . 3.300 2.787 2.761 2.805 . 0 0 "[ . 1 .]" 1
575 1 56 TRP HZ3 1 59 ILE MD 5.000 . 5.300 3.808 3.707 3.867 . 0 0 "[ . 1 .]" 1
576 1 56 TRP HH2 1 59 ILE MD 5.000 . 5.300 4.394 4.301 4.453 . 0 0 "[ . 1 .]" 1
577 1 56 TRP HA 1 60 VAL H 4.000 . 4.300 3.654 3.571 3.789 . 0 0 "[ . 1 .]" 1
578 1 56 TRP HE3 1 60 VAL HA 5.000 . 5.300 5.269 4.974 5.387 0.087 14 0 "[ . 1 .]" 1
579 1 56 TRP HE3 1 60 VAL MG2 3.000 . 3.300 3.009 2.950 3.100 . 0 0 "[ . 1 .]" 1
580 1 56 TRP HE3 1 94 MET H 5.000 . 5.300 5.365 5.321 5.424 0.124 6 0 "[ . 1 .]" 1
581 1 56 TRP HZ3 1 94 MET H 5.000 . 5.300 4.802 4.381 4.931 . 0 0 "[ . 1 .]" 1
582 1 56 TRP HE3 1 94 MET HA 3.000 . 3.300 2.464 2.393 2.635 . 0 0 "[ . 1 .]" 1
583 1 56 TRP HE3 1 94 MET HG3 4.000 . 4.300 4.146 3.764 4.469 0.169 13 0 "[ . 1 .]" 1
584 1 56 TRP HE3 1 94 MET HG2 4.000 . 4.300 3.588 2.818 4.296 . 0 0 "[ . 1 .]" 1
585 1 56 TRP HZ3 1 94 MET HA 4.000 . 4.300 2.615 2.479 2.689 . 0 0 "[ . 1 .]" 1
586 1 56 TRP HE3 1 95 ASP H 4.000 . 4.300 4.487 4.441 4.585 0.285 13 0 "[ . 1 .]" 1
587 1 56 TRP HH2 1 95 ASP H 4.000 . 4.300 4.434 4.352 4.497 0.197 2 0 "[ . 1 .]" 1
588 1 56 TRP HZ3 1 96 GLY HA3 4.000 . 4.300 4.316 4.267 4.363 0.063 15 0 "[ . 1 .]" 1
589 1 56 TRP HZ3 1 96 GLY HA2 5.000 . 5.300 5.280 5.209 5.364 0.064 10 0 "[ . 1 .]" 1
590 1 56 TRP HH2 1 96 GLY HA3 4.000 . 4.300 2.762 2.671 2.832 . 0 0 "[ . 1 .]" 1
591 1 56 TRP HH2 1 96 GLY HA2 4.000 . 4.300 4.200 4.058 4.308 0.008 14 0 "[ . 1 .]" 1
592 1 56 TRP HH2 1 96 GLY QA 3.000 . 3.300 2.727 2.636 2.793 . 0 0 "[ . 1 .]" 1
593 1 56 TRP HE1 1 97 LEU HA 4.000 . 4.300 4.171 3.901 4.489 0.189 10 0 "[ . 1 .]" 1
594 1 56 TRP HZ2 1 97 LEU HA 4.000 . 4.300 3.643 3.246 4.221 . 0 0 "[ . 1 .]" 1
595 1 56 TRP HB3 1 97 LEU HA 5.000 . 5.300 4.011 3.879 4.170 . 0 0 "[ . 1 .]" 1
596 1 56 TRP HB2 1 97 LEU HA 5.000 . 5.300 4.439 4.321 4.608 . 0 0 "[ . 1 .]" 1
597 1 56 TRP HD1 1 98 ILE H 5.000 . 5.300 3.507 3.326 3.757 . 0 0 "[ . 1 .]" 1
598 1 56 TRP HE1 1 98 ILE H 5.000 . 5.300 3.773 3.619 3.990 . 0 0 "[ . 1 .]" 1
599 1 56 TRP HE3 1 98 ILE H 5.000 . 5.300 4.284 4.160 4.535 . 0 0 "[ . 1 .]" 1
600 1 56 TRP HH2 1 98 ILE H 5.000 . 5.300 5.511 5.453 5.615 0.315 1 0 "[ . 1 .]" 1
601 1 56 TRP HZ2 1 98 ILE H 5.000 . 5.300 4.676 4.576 4.823 . 0 0 "[ . 1 .]" 1
602 1 56 TRP HD1 1 98 ILE HA 5.000 . 5.300 5.620 5.525 5.749 0.449 13 0 "[ . 1 .]" 1
603 1 56 TRP HE1 1 98 ILE HA 5.000 . 5.300 5.381 5.271 5.467 0.167 7 0 "[ . 1 .]" 1
604 1 56 TRP HE1 1 98 ILE HB 5.000 . 5.300 3.348 3.205 3.499 . 0 0 "[ . 1 .]" 1
605 1 56 TRP HD1 1 98 ILE HB 4.000 . 4.300 3.031 2.933 3.135 . 0 0 "[ . 1 .]" 1
606 1 56 TRP HE1 1 98 ILE QG 4.000 . 4.300 3.021 2.682 3.145 . 0 0 "[ . 1 .]" 1
607 1 56 TRP HD1 1 98 ILE QG 5.000 . 5.300 4.227 4.058 4.302 . 0 0 "[ . 1 .]" 1
608 1 56 TRP HE1 1 98 ILE MG 5.000 . 5.300 4.456 4.329 4.525 . 0 0 "[ . 1 .]" 1
609 1 56 TRP HE1 1 98 ILE MD 3.000 . 3.300 1.798 1.726 1.887 0.074 5 0 "[ . 1 .]" 1
610 1 56 TRP HD1 1 98 ILE MG 5.000 . 5.300 4.402 4.323 4.450 . 0 0 "[ . 1 .]" 1
611 1 56 TRP HZ2 1 98 ILE MD 5.000 . 5.300 2.222 2.066 2.323 . 0 0 "[ . 1 .]" 1
612 1 56 TRP HH2 1 98 ILE MD 5.000 . 5.300 3.739 3.647 3.796 . 0 0 "[ . 1 .]" 1
613 1 56 TRP HZ3 1 98 ILE MD 5.000 . 5.300 4.588 4.563 4.619 . 0 0 "[ . 1 .]" 1
614 1 56 TRP HE3 1 98 ILE MD 5.000 . 5.300 4.407 4.324 4.460 . 0 0 "[ . 1 .]" 1
615 1 57 VAL H 1 58 GLU H 3.000 . 3.300 2.460 2.339 2.707 . 0 0 "[ . 1 .]" 1
616 1 57 VAL HA 1 58 GLU H 4.000 . 4.300 3.477 3.458 3.507 . 0 0 "[ . 1 .]" 1
617 1 57 VAL HB 1 58 GLU H 3.000 . 3.300 2.579 2.437 2.630 . 0 0 "[ . 1 .]" 1
618 1 57 VAL HB 1 58 GLU HA 4.000 . 4.300 4.205 4.072 4.277 . 0 0 "[ . 1 .]" 1
619 1 57 VAL MG1 1 58 GLU H 4.000 . 4.300 3.568 3.545 3.585 . 0 0 "[ . 1 .]" 1
620 1 57 VAL MG2 1 58 GLU H 4.000 . 4.300 3.580 3.493 3.608 . 0 0 "[ . 1 .]" 1
621 1 57 VAL MG1 1 58 GLU HA 4.000 . 4.300 3.639 3.615 3.668 . 0 0 "[ . 1 .]" 1
622 1 57 VAL H 1 59 ILE H 4.000 . 4.300 3.492 3.409 3.620 . 0 0 "[ . 1 .]" 1
623 1 57 VAL HA 1 59 ILE H 4.000 . 4.300 3.542 3.502 3.624 . 0 0 "[ . 1 .]" 1
624 1 57 VAL MG1 1 59 ILE H 5.000 . 5.300 4.450 4.426 4.469 . 0 0 "[ . 1 .]" 1
625 1 57 VAL MG2 1 59 ILE H 5.000 . 5.300 4.585 4.568 4.595 . 0 0 "[ . 1 .]" 1
626 1 57 VAL H 1 60 VAL H 4.000 . 4.300 4.316 4.232 4.388 0.088 3 0 "[ . 1 .]" 1
627 1 57 VAL HA 1 60 VAL H 4.000 . 4.300 3.168 3.134 3.255 . 0 0 "[ . 1 .]" 1
628 1 57 VAL HA 1 60 VAL HB 3.000 . 3.300 2.808 2.594 3.040 . 0 0 "[ . 1 .]" 1
629 1 57 VAL HA 1 60 VAL MG2 4.000 . 4.300 3.447 3.118 3.607 . 0 0 "[ . 1 .]" 1
630 1 57 VAL MG1 1 60 VAL H 5.000 . 5.300 4.517 4.489 4.543 . 0 0 "[ . 1 .]" 1
631 1 57 VAL H 1 61 GLY H 5.000 . 5.300 5.374 5.288 5.448 0.148 12 0 "[ . 1 .]" 1
632 1 57 VAL HA 1 61 GLY H 4.000 . 4.300 2.907 2.711 3.316 . 0 0 "[ . 1 .]" 1
633 1 57 VAL MG1 1 81 GLY H 5.000 . 5.300 2.753 1.993 3.386 . 0 0 "[ . 1 .]" 1
634 1 57 VAL MG2 1 81 GLY H 5.000 . 5.300 3.497 2.908 3.789 . 0 0 "[ . 1 .]" 1
635 1 57 VAL HB 1 81 GLY HA3 4.000 . 4.300 4.349 4.304 4.379 0.079 3 0 "[ . 1 .]" 1
636 1 57 VAL HB 1 81 GLY HA2 4.000 . 4.300 3.877 3.475 4.362 0.062 11 0 "[ . 1 .]" 1
637 1 57 VAL MG1 1 81 GLY HA3 5.000 . 5.300 2.954 2.565 3.193 . 0 0 "[ . 1 .]" 1
638 1 57 VAL MG2 1 81 GLY HA3 4.000 . 4.300 1.855 1.753 2.063 0.047 2 0 "[ . 1 .]" 1
639 1 57 VAL MG1 1 81 GLY HA2 5.000 . 5.300 1.786 1.731 1.924 0.069 4 0 "[ . 1 .]" 1
640 1 57 VAL MG2 1 81 GLY HA2 4.000 . 4.300 1.999 1.801 2.476 . 0 0 "[ . 1 .]" 1
641 1 57 VAL MG1 1 82 THR H 5.000 . 5.300 4.227 3.910 4.416 . 0 0 "[ . 1 .]" 1
642 1 57 VAL MG2 1 82 THR H 5.000 . 5.300 4.398 4.228 4.455 . 0 0 "[ . 1 .]" 1
643 1 58 GLU H 1 59 ILE H 3.000 . 3.300 2.351 2.317 2.414 . 0 0 "[ . 1 .]" 1
644 1 58 GLU HA 1 59 ILE H 4.000 . 4.300 3.276 3.254 3.297 . 0 0 "[ . 1 .]" 1
645 1 58 GLU QB 1 59 ILE H 4.000 . 4.300 3.334 3.273 3.435 . 0 0 "[ . 1 .]" 1
646 1 58 GLU QG 1 59 ILE H 5.000 . 5.300 4.219 3.781 4.681 . 0 0 "[ . 1 .]" 1
647 1 58 GLU H 1 60 VAL H 4.000 . 4.300 3.952 3.884 4.041 . 0 0 "[ . 1 .]" 1
648 1 58 GLU HA 1 60 VAL H 4.000 . 4.300 4.390 4.341 4.433 0.133 14 0 "[ . 1 .]" 1
649 1 59 ILE H 1 60 VAL H 3.000 . 3.300 1.985 1.935 2.037 . 0 0 "[ . 1 .]" 1
650 1 59 ILE H 1 60 VAL HA 5.000 . 5.300 4.733 4.692 4.779 . 0 0 "[ . 1 .]" 1
651 1 59 ILE HA 1 60 VAL H 4.000 . 4.300 3.474 3.452 3.493 . 0 0 "[ . 1 .]" 1
652 1 59 ILE HB 1 60 VAL H 3.000 . 3.300 2.674 2.627 2.711 . 0 0 "[ . 1 .]" 1
653 1 59 ILE HG13 1 60 VAL H 5.000 . 5.300 4.516 4.488 4.544 . 0 0 "[ . 1 .]" 1
654 1 59 ILE HG12 1 60 VAL H 5.000 . 5.300 5.108 5.074 5.130 . 0 0 "[ . 1 .]" 1
655 1 59 ILE MG 1 60 VAL H 5.000 . 5.300 3.175 3.075 3.258 . 0 0 "[ . 1 .]" 1
656 1 59 ILE MD 1 60 VAL H 5.000 . 5.300 4.386 4.326 4.439 . 0 0 "[ . 1 .]" 1
657 1 59 ILE MG 1 60 VAL HA 4.000 . 4.300 3.240 3.088 3.299 . 0 0 "[ . 1 .]" 1
658 1 59 ILE H 1 61 GLY H 5.000 . 5.300 4.008 3.313 4.521 . 0 0 "[ . 1 .]" 1
659 1 59 ILE MG 1 94 MET HA 4.000 . 4.300 2.125 1.964 2.285 . 0 0 "[ . 1 .]" 1
660 1 59 ILE MG 1 95 ASP H 5.000 . 5.300 3.860 3.736 4.016 . 0 0 "[ . 1 .]" 1
661 1 60 VAL H 1 61 GLY H 3.000 . 3.300 2.709 2.272 3.072 . 0 0 "[ . 1 .]" 1
662 1 60 VAL HB 1 61 GLY H 3.000 . 3.300 2.080 1.792 2.631 0.008 8 0 "[ . 1 .]" 1
663 1 60 VAL MG1 1 61 GLY H 4.000 . 4.300 3.000 2.548 3.634 . 0 0 "[ . 1 .]" 1
664 1 60 VAL MG2 1 61 GLY H 4.000 . 4.300 3.595 3.469 3.754 . 0 0 "[ . 1 .]" 1
665 1 60 VAL MG1 1 83 ARG HE 5.000 . 5.300 4.319 3.825 4.552 . 0 0 "[ . 1 .]" 1
666 1 60 VAL MG1 1 88 VAL MG1 4.000 . 4.300 1.801 1.564 2.432 0.236 3 0 "[ . 1 .]" 1
667 1 60 VAL HA 1 94 MET ME 4.000 . 4.300 3.080 1.803 3.609 . 0 0 "[ . 1 .]" 1
668 1 60 VAL MG2 1 94 MET ME 4.000 . 4.300 2.636 2.040 3.000 . 0 0 "[ . 1 .]" 1
669 1 62 GLU H 1 63 ALA H 4.000 . 4.300 3.194 2.331 4.558 0.258 1 0 "[ . 1 .]" 1
670 1 62 GLU HA 1 63 ALA H 3.000 . 3.300 3.111 2.164 3.422 0.122 11 0 "[ . 1 .]" 1
671 1 62 GLU QB 1 63 ALA H 3.000 . 3.300 2.714 1.729 3.065 0.071 9 0 "[ . 1 .]" 1
672 1 62 GLU HG3 1 63 ALA H 5.000 . 5.300 4.821 4.322 5.294 . 0 0 "[ . 1 .]" 1
673 1 62 GLU HG2 1 63 ALA H 5.000 . 5.300 4.457 3.188 5.011 . 0 0 "[ . 1 .]" 1
674 1 62 GLU H 1 83 ARG HE 5.000 . 5.300 3.586 2.710 5.106 . 0 0 "[ . 1 .]" 1
675 1 63 ALA HA 1 64 ASN H 3.000 . 3.300 2.294 2.138 2.656 . 0 0 "[ . 1 .]" 1
676 1 63 ALA MB 1 64 ASN H 3.000 . 3.300 2.497 1.861 2.767 . 0 0 "[ . 1 .]" 1
677 1 63 ALA MB 1 66 ASP H 5.000 . 5.300 4.552 4.432 4.666 . 0 0 "[ . 1 .]" 1
678 1 63 ALA H 1 83 ARG HD3 4.000 . 4.300 3.611 2.049 4.495 0.195 8 0 "[ . 1 .]" 1
679 1 63 ALA H 1 83 ARG HD2 4.000 . 4.300 3.489 1.804 4.317 0.017 1 0 "[ . 1 .]" 1
680 1 63 ALA H 1 83 ARG HE 5.000 . 5.300 1.955 1.721 3.118 0.079 8 0 "[ . 1 .]" 1
681 1 63 ALA HA 1 83 ARG HE 3.000 . 3.300 3.319 3.023 3.753 0.453 9 0 "[ . 1 .]" 1
682 1 64 ASN H 1 65 PRO QD 4.000 . 4.300 4.182 4.132 4.221 . 0 0 "[ . 1 .]" 1
683 1 64 ASN HA 1 65 PRO HD3 3.000 . 3.300 2.181 1.939 2.569 . 0 0 "[ . 1 .]" 1
684 1 64 ASN HA 1 65 PRO HD2 3.000 . 3.300 3.151 2.493 3.385 0.085 14 0 "[ . 1 .]" 1
685 1 64 ASN HB3 1 65 PRO HD3 4.000 . 4.300 3.162 2.579 3.642 . 0 0 "[ . 1 .]" 1
686 1 64 ASN HB3 1 65 PRO HD2 4.000 . 4.300 3.068 2.319 3.585 . 0 0 "[ . 1 .]" 1
687 1 64 ASN HB2 1 65 PRO HD3 4.000 . 4.300 2.484 1.959 3.368 . 0 0 "[ . 1 .]" 1
688 1 64 ASN HB2 1 65 PRO HD2 4.000 . 4.300 1.817 1.778 1.871 0.022 5 0 "[ . 1 .]" 1
689 1 64 ASN HB3 1 66 ASP H 4.000 . 4.300 4.098 3.941 4.184 . 0 0 "[ . 1 .]" 1
690 1 64 ASN HB2 1 66 ASP H 4.000 . 4.300 2.826 2.300 3.690 . 0 0 "[ . 1 .]" 1
691 1 64 ASN H 1 67 GLU H 4.000 . 4.300 3.792 3.432 4.304 0.004 1 0 "[ . 1 .]" 1
692 1 64 ASN HB3 1 67 GLU H 5.000 . 5.300 5.311 5.039 5.394 0.094 8 0 "[ . 1 .]" 1
693 1 64 ASN HB2 1 67 GLU H 5.000 . 5.300 4.571 4.087 5.354 0.054 9 0 "[ . 1 .]" 1
694 1 64 ASN H 1 68 ASN H 5.000 . 5.300 5.078 4.548 5.351 0.051 7 0 "[ . 1 .]" 1
695 1 64 ASN H 1 83 ARG HE 5.000 . 5.300 5.202 4.990 5.361 0.061 1 0 "[ . 1 .]" 1
696 1 65 PRO HA 1 66 ASP H 4.000 . 4.300 3.290 3.190 3.423 . 0 0 "[ . 1 .]" 1
697 1 65 PRO HD3 1 66 ASP H 4.000 . 4.300 3.945 3.740 4.202 . 0 0 "[ . 1 .]" 1
698 1 65 PRO HD2 1 66 ASP H 4.000 . 4.300 3.039 2.834 3.296 . 0 0 "[ . 1 .]" 1
699 1 65 PRO QB 1 66 ASP H 4.000 . 4.300 3.597 3.162 3.739 . 0 0 "[ . 1 .]" 1
700 1 65 PRO QG 1 66 ASP H 5.000 . 5.300 4.076 3.326 4.309 . 0 0 "[ . 1 .]" 1
701 1 65 PRO HA 1 67 GLU H 5.000 . 5.300 4.809 4.249 5.214 . 0 0 "[ . 1 .]" 1
702 1 65 PRO HA 1 68 ASN H 4.000 . 4.300 3.753 3.454 4.277 . 0 0 "[ . 1 .]" 1
703 1 65 PRO HA 1 68 ASN HB3 4.000 . 4.300 2.844 2.398 3.538 . 0 0 "[ . 1 .]" 1
704 1 65 PRO HA 1 68 ASN HB2 4.000 . 4.300 4.026 3.699 4.323 0.023 10 0 "[ . 1 .]" 1
705 1 65 PRO HA 1 69 ASP H 4.000 . 4.300 4.105 3.565 4.342 0.042 14 0 "[ . 1 .]" 1
706 1 66 ASP H 1 67 GLU H 3.000 . 3.300 2.452 2.261 2.581 . 0 0 "[ . 1 .]" 1
707 1 66 ASP HB3 1 67 GLU H 4.000 . 4.300 3.271 2.682 3.587 . 0 0 "[ . 1 .]" 1
708 1 66 ASP HB2 1 67 GLU H 4.000 . 4.300 2.391 2.050 3.022 . 0 0 "[ . 1 .]" 1
709 1 66 ASP H 1 68 ASN H 4.000 . 4.300 3.598 3.254 4.247 . 0 0 "[ . 1 .]" 1
710 1 66 ASP HA 1 68 ASN H 5.000 . 5.300 4.303 3.912 5.057 . 0 0 "[ . 1 .]" 1
711 1 66 ASP HA 1 69 ASP HB3 4.000 . 4.300 2.931 2.140 4.097 . 0 0 "[ . 1 .]" 1
712 1 66 ASP HA 1 69 ASP HB2 4.000 . 4.300 3.317 2.207 3.982 . 0 0 "[ . 1 .]" 1
713 1 66 ASP HA 1 70 LEU H 4.000 . 4.300 3.924 3.286 4.335 0.035 2 0 "[ . 1 .]" 1
714 1 67 GLU H 1 68 ASN H 3.000 . 3.300 2.693 2.294 3.041 . 0 0 "[ . 1 .]" 1
715 1 67 GLU QB 1 68 ASN H 4.000 . 4.300 2.889 2.248 3.645 . 0 0 "[ . 1 .]" 1
716 1 67 GLU QG 1 68 ASN H 4.000 . 4.300 3.395 2.046 3.863 . 0 0 "[ . 1 .]" 1
717 1 67 GLU HA 1 69 ASP H 4.000 . 4.300 4.235 4.038 4.323 0.023 14 0 "[ . 1 .]" 1
718 1 67 GLU HA 1 70 LEU H 4.000 . 4.300 3.577 3.192 4.075 . 0 0 "[ . 1 .]" 1
719 1 68 ASN H 1 69 ASP H 3.000 . 3.300 2.465 2.226 2.765 . 0 0 "[ . 1 .]" 1
720 1 68 ASN HA 1 69 ASP H 4.000 . 4.300 3.491 3.450 3.524 . 0 0 "[ . 1 .]" 1
721 1 68 ASN HB3 1 69 ASP H 4.000 . 4.300 2.875 2.688 3.179 . 0 0 "[ . 1 .]" 1
722 1 68 ASN HB2 1 69 ASP H 4.000 . 4.300 4.026 3.744 4.305 0.005 15 0 "[ . 1 .]" 1
723 1 68 ASN HD21 1 69 ASP HA 5.000 . 5.300 4.432 3.275 5.198 . 0 0 "[ . 1 .]" 1
724 1 68 ASN HD22 1 69 ASP HA 5.000 . 5.300 4.965 4.518 5.271 . 0 0 "[ . 1 .]" 1
725 1 68 ASN H 1 70 LEU H 4.000 . 4.300 4.088 3.714 4.303 0.003 1 0 "[ . 1 .]" 1
726 1 68 ASN HA 1 70 LEU H 5.000 . 5.300 4.539 4.133 4.852 . 0 0 "[ . 1 .]" 1
727 1 68 ASN H 1 71 LEU H 5.000 . 5.300 4.916 4.691 5.076 . 0 0 "[ . 1 .]" 1
728 1 68 ASN HA 1 71 LEU H 4.000 . 4.300 3.735 3.308 4.157 . 0 0 "[ . 1 .]" 1
729 1 68 ASN HA 1 71 LEU QB 4.000 . 4.300 3.113 2.702 3.611 . 0 0 "[ . 1 .]" 1
730 1 68 ASN HA 1 72 GLN H 4.000 . 4.300 4.184 3.818 4.328 0.028 2 0 "[ . 1 .]" 1
731 1 68 ASN HD21 1 78 MET ME 4.000 . 4.300 2.786 2.092 3.527 . 0 0 "[ . 1 .]" 1
732 1 68 ASN HD22 1 78 MET ME 4.000 . 4.300 2.637 1.730 3.579 0.070 9 0 "[ . 1 .]" 1
733 1 69 ASP H 1 70 LEU H 3.000 . 3.300 2.498 2.306 2.815 . 0 0 "[ . 1 .]" 1
734 1 69 ASP HB3 1 70 LEU H 4.000 . 4.300 2.707 2.354 3.133 . 0 0 "[ . 1 .]" 1
735 1 69 ASP HB2 1 70 LEU H 4.000 . 4.300 3.690 2.708 4.202 . 0 0 "[ . 1 .]" 1
736 1 69 ASP H 1 71 LEU H 4.000 . 4.300 4.021 3.749 4.265 . 0 0 "[ . 1 .]" 1
737 1 69 ASP HA 1 71 LEU H 5.000 . 5.300 4.250 3.796 4.665 . 0 0 "[ . 1 .]" 1
738 1 69 ASP H 1 72 GLN H 5.000 . 5.300 4.577 4.409 4.721 . 0 0 "[ . 1 .]" 1
739 1 69 ASP HA 1 72 GLN H 4.000 . 4.300 3.290 3.172 3.579 . 0 0 "[ . 1 .]" 1
740 1 69 ASP HA 1 72 GLN HB3 4.000 . 4.300 3.749 3.469 4.141 . 0 0 "[ . 1 .]" 1
741 1 69 ASP HA 1 72 GLN HB2 4.000 . 4.300 2.263 2.023 2.567 . 0 0 "[ . 1 .]" 1
742 1 69 ASP HA 1 72 GLN QG 4.000 . 4.300 3.251 2.473 3.833 . 0 0 "[ . 1 .]" 1
743 1 69 ASP HA 1 73 SER H 4.000 . 4.300 4.168 3.781 4.324 0.024 8 0 "[ . 1 .]" 1
744 1 70 LEU H 1 71 LEU H 3.000 . 3.300 2.705 2.444 2.937 . 0 0 "[ . 1 .]" 1
745 1 70 LEU HA 1 71 LEU H 4.000 . 4.300 3.517 3.432 3.566 . 0 0 "[ . 1 .]" 1
746 1 70 LEU H 1 72 GLN H 4.000 . 4.300 4.068 3.623 4.306 0.006 12 0 "[ . 1 .]" 1
747 1 70 LEU HA 1 72 GLN H 5.000 . 5.300 4.512 4.094 4.791 . 0 0 "[ . 1 .]" 1
748 1 70 LEU HA 1 73 SER H 4.000 . 4.300 3.779 3.548 3.970 . 0 0 "[ . 1 .]" 1
749 1 70 LEU HA 1 73 SER QB 4.000 . 4.300 3.139 2.672 3.487 . 0 0 "[ . 1 .]" 1
750 1 71 LEU HA 1 72 GLN H 4.000 . 4.300 3.512 3.421 3.555 . 0 0 "[ . 1 .]" 1
751 1 71 LEU H 1 73 SER H 4.000 . 4.300 3.949 3.719 4.228 . 0 0 "[ . 1 .]" 1
752 1 71 LEU HA 1 73 SER H 5.000 . 5.300 4.024 3.760 4.431 . 0 0 "[ . 1 .]" 1
753 1 71 LEU HA 1 74 THR H 4.000 . 4.300 3.599 3.181 4.124 . 0 0 "[ . 1 .]" 1
754 1 71 LEU HA 1 74 THR MG 4.000 . 4.300 2.293 1.717 3.309 0.083 8 0 "[ . 1 .]" 1
755 1 72 GLN H 1 73 SER H 3.000 . 3.300 2.631 2.389 2.790 . 0 0 "[ . 1 .]" 1
756 1 72 GLN HB3 1 73 SER H 4.000 . 4.300 3.534 3.282 3.831 . 0 0 "[ . 1 .]" 1
757 1 72 GLN HB2 1 73 SER H 4.000 . 4.300 3.026 2.616 3.267 . 0 0 "[ . 1 .]" 1
758 1 72 GLN HG3 1 73 SER H 5.000 . 5.300 5.076 4.709 5.289 . 0 0 "[ . 1 .]" 1
759 1 72 GLN HG2 1 73 SER H 5.000 . 5.300 4.897 4.665 5.273 . 0 0 "[ . 1 .]" 1
760 1 72 GLN H 1 74 THR H 5.000 . 5.300 4.146 3.847 4.428 . 0 0 "[ . 1 .]" 1
761 1 72 GLN HA 1 74 THR H 4.000 . 4.300 3.796 3.451 4.155 . 0 0 "[ . 1 .]" 1
762 1 73 SER H 1 74 THR H 3.000 . 3.300 2.613 2.316 2.780 . 0 0 "[ . 1 .]" 1
763 1 73 SER H 1 74 THR MG 5.000 . 5.300 3.736 3.297 4.195 . 0 0 "[ . 1 .]" 1
764 1 73 SER H 1 75 GLY H 5.000 . 5.300 4.485 4.076 4.901 . 0 0 "[ . 1 .]" 1
765 1 74 THR H 1 75 GLY H 3.000 . 3.300 2.627 2.258 2.998 . 0 0 "[ . 1 .]" 1
766 1 74 THR H 1 75 GLY QA 5.000 . 5.300 4.446 4.218 4.675 . 0 0 "[ . 1 .]" 1
767 1 74 THR HB 1 75 GLY H 4.000 . 4.300 3.715 3.368 4.087 . 0 0 "[ . 1 .]" 1
768 1 74 THR MG 1 75 GLY H 5.000 . 5.300 3.726 3.545 3.919 . 0 0 "[ . 1 .]" 1
769 1 74 THR H 1 76 GLU H 5.000 . 5.300 4.220 3.739 4.791 . 0 0 "[ . 1 .]" 1
770 1 74 THR HA 1 76 GLU H 5.000 . 5.300 4.796 4.446 5.150 . 0 0 "[ . 1 .]" 1
771 1 74 THR HB 1 76 GLU H 4.000 . 4.300 3.835 3.224 4.236 . 0 0 "[ . 1 .]" 1
772 1 74 THR MG 1 76 GLU H 5.000 . 5.300 4.253 4.052 4.390 . 0 0 "[ . 1 .]" 1
773 1 75 GLY H 1 76 GLU H 4.000 . 4.300 2.153 1.863 2.576 . 0 0 "[ . 1 .]" 1
774 1 76 GLU H 1 77 PRO QD 5.000 . 5.300 4.211 3.531 4.401 . 0 0 "[ . 1 .]" 1
775 1 76 GLU HA 1 77 PRO HD3 3.000 . 3.300 2.267 1.922 2.520 . 0 0 "[ . 1 .]" 1
776 1 76 GLU HA 1 77 PRO HD2 3.000 . 3.300 2.310 1.945 2.788 . 0 0 "[ . 1 .]" 1
777 1 76 GLU QB 1 77 PRO HD3 5.000 . 5.300 3.799 2.945 4.208 . 0 0 "[ . 1 .]" 1
778 1 76 GLU QB 1 77 PRO HD2 5.000 . 5.300 2.828 1.993 3.950 . 0 0 "[ . 1 .]" 1
779 1 77 PRO HA 1 78 MET H 3.000 . 3.300 2.403 2.148 2.660 . 0 0 "[ . 1 .]" 1
780 1 77 PRO HB3 1 78 MET H 4.000 . 4.300 3.224 2.523 4.076 . 0 0 "[ . 1 .]" 1
781 1 77 PRO HB2 1 78 MET H 4.000 . 4.300 2.915 2.030 3.847 . 0 0 "[ . 1 .]" 1
782 1 78 MET HA 1 79 THR H 3.000 . 3.300 2.529 2.145 2.852 . 0 0 "[ . 1 .]" 1
783 1 78 MET HB3 1 79 THR H 4.000 . 4.300 2.398 1.874 3.322 . 0 0 "[ . 1 .]" 1
784 1 78 MET HB2 1 79 THR H 4.000 . 4.300 3.242 2.215 4.299 . 0 0 "[ . 1 .]" 1
785 1 78 MET HG3 1 79 THR H 5.000 . 5.300 4.683 4.435 5.070 . 0 0 "[ . 1 .]" 1
786 1 78 MET HG2 1 79 THR H 5.000 . 5.300 4.153 3.622 4.727 . 0 0 "[ . 1 .]" 1
787 1 78 MET ME 1 79 THR H 5.000 . 5.300 4.021 3.479 4.321 . 0 0 "[ . 1 .]" 1
788 1 78 MET HA 1 82 THR MG 4.000 . 4.300 3.461 3.164 3.593 . 0 0 "[ . 1 .]" 1
789 1 79 THR H 1 80 ALA H 5.000 . 5.300 4.345 4.236 4.414 . 0 0 "[ . 1 .]" 1
790 1 79 THR HA 1 80 ALA H 3.000 . 3.300 2.647 2.171 2.844 . 0 0 "[ . 1 .]" 1
791 1 79 THR HB 1 80 ALA H 4.000 . 4.300 2.158 1.909 3.303 . 0 0 "[ . 1 .]" 1
792 1 79 THR MG 1 80 ALA H 5.000 . 5.300 3.501 2.981 3.933 . 0 0 "[ . 1 .]" 1
793 1 79 THR H 1 82 THR H 4.000 . 4.300 4.028 3.321 4.318 0.018 1 0 "[ . 1 .]" 1
794 1 79 THR H 1 82 THR HB 4.000 . 4.300 3.187 2.329 3.965 . 0 0 "[ . 1 .]" 1
795 1 79 THR H 1 82 THR MG 5.000 . 5.300 2.900 2.460 3.380 . 0 0 "[ . 1 .]" 1
796 1 80 ALA H 1 81 GLY H 5.000 . 5.300 4.445 4.298 4.560 . 0 0 "[ . 1 .]" 1
797 1 80 ALA HA 1 81 GLY H 3.000 . 3.300 2.155 2.132 2.195 . 0 0 "[ . 1 .]" 1
798 1 80 ALA MB 1 81 GLY H 4.000 . 4.300 3.209 2.865 3.456 . 0 0 "[ . 1 .]" 1
799 1 80 ALA MB 1 81 GLY HA3 5.000 . 5.300 3.973 3.854 4.140 . 0 0 "[ . 1 .]" 1
800 1 80 ALA MB 1 81 GLY HA2 5.000 . 5.300 4.409 4.262 4.478 . 0 0 "[ . 1 .]" 1
801 1 80 ALA HA 1 82 THR H 4.000 . 4.300 3.535 3.329 3.874 . 0 0 "[ . 1 .]" 1
802 1 81 GLY H 1 82 THR H 3.000 . 3.300 2.468 1.992 2.760 . 0 0 "[ . 1 .]" 1
803 1 82 THR HA 1 83 ARG H 3.000 . 3.300 2.180 2.139 2.256 . 0 0 "[ . 1 .]" 1
804 1 82 THR MG 1 83 ARG H 4.000 . 4.300 3.022 2.378 3.492 . 0 0 "[ . 1 .]" 1
805 1 83 ARG HE 1 88 VAL MG2 4.000 . 4.300 2.819 1.762 3.758 0.038 4 0 "[ . 1 .]" 1
806 1 88 VAL H 1 89 PHE H 5.000 . 5.300 4.402 4.157 4.559 . 0 0 "[ . 1 .]" 1
807 1 88 VAL HA 1 89 PHE H 2.200 . 2.500 2.239 2.131 2.412 . 0 0 "[ . 1 .]" 1
808 1 88 VAL HA 1 89 PHE HB2 5.000 . 5.300 4.627 4.471 4.803 . 0 0 "[ . 1 .]" 1
809 1 88 VAL HA 1 89 PHE QD 4.000 . 4.300 3.490 2.735 3.906 . 0 0 "[ . 1 .]" 1
810 1 88 VAL HA 1 89 PHE QE 5.000 . 5.300 4.459 3.744 4.806 . 0 0 "[ . 1 .]" 1
811 1 88 VAL HB 1 89 PHE H 5.000 . 5.300 4.186 3.546 4.514 . 0 0 "[ . 1 .]" 1
812 1 88 VAL MG1 1 89 PHE H 4.000 . 4.300 2.540 1.772 3.202 0.028 15 0 "[ . 1 .]" 1
813 1 88 VAL MG1 1 89 PHE QD 5.000 . 5.300 4.007 3.950 4.055 . 0 0 "[ . 1 .]" 1
814 1 88 VAL MG2 1 89 PHE H 5.000 . 5.300 3.892 3.634 4.173 . 0 0 "[ . 1 .]" 1
815 1 88 VAL MG1 1 94 MET ME 4.000 . 4.300 1.855 1.602 2.200 0.198 8 0 "[ . 1 .]" 1
816 1 89 PHE HA 1 90 ILE H 2.200 . 2.500 2.127 2.079 2.280 . 0 0 "[ . 1 .]" 1
817 1 89 PHE HB3 1 90 ILE H 4.000 . 4.300 2.908 2.509 3.145 . 0 0 "[ . 1 .]" 1
818 1 89 PHE HB2 1 90 ILE H 4.000 . 4.300 3.912 3.748 4.040 . 0 0 "[ . 1 .]" 1
819 1 89 PHE QD 1 90 ILE H 4.000 . 4.300 3.920 3.877 3.968 . 0 0 "[ . 1 .]" 1
820 1 89 PHE H 1 94 MET ME 5.000 . 5.300 3.413 2.502 3.990 . 0 0 "[ . 1 .]" 1
821 1 90 ILE H 1 91 ASP H 5.000 . 5.300 4.590 4.557 4.605 . 0 0 "[ . 1 .]" 1
822 1 90 ILE HA 1 91 ASP H 2.200 . 2.500 2.301 2.161 2.368 . 0 0 "[ . 1 .]" 1
823 1 90 ILE HB 1 91 ASP H 4.000 . 4.300 3.807 3.709 4.044 . 0 0 "[ . 1 .]" 1
824 1 90 ILE HG13 1 91 ASP H 5.000 . 5.300 5.008 4.913 5.217 . 0 0 "[ . 1 .]" 1
825 1 90 ILE HG12 1 91 ASP H 5.000 . 5.300 4.455 4.343 4.580 . 0 0 "[ . 1 .]" 1
826 1 90 ILE MG 1 91 ASP H 3.000 . 3.300 1.866 1.775 2.241 0.025 3 0 "[ . 1 .]" 1
827 1 90 ILE MD 1 91 ASP H 4.000 . 4.300 3.351 3.278 3.492 . 0 0 "[ . 1 .]" 1
828 1 90 ILE MG 1 91 ASP HA 5.000 . 5.300 3.102 2.980 3.304 . 0 0 "[ . 1 .]" 1
829 1 90 ILE MG 1 94 MET H 5.000 . 5.300 3.862 3.723 4.178 . 0 0 "[ . 1 .]" 1
830 1 91 ASP H 1 92 PRO HD3 4.000 . 4.300 4.515 4.500 4.544 0.244 13 0 "[ . 1 .]" 1
831 1 91 ASP HA 1 92 PRO QG 4.000 . 4.300 3.873 3.830 4.004 . 0 0 "[ . 1 .]" 1
832 1 91 ASP HB3 1 92 PRO HD3 4.000 . 4.300 4.086 3.560 4.322 0.022 13 0 "[ . 1 .]" 1
833 1 91 ASP HB3 1 92 PRO HD2 4.000 . 4.300 4.038 3.568 4.213 . 0 0 "[ . 1 .]" 1
834 1 91 ASP HB2 1 92 PRO HD3 4.000 2.800 4.300 2.922 2.711 3.813 0.089 7 0 "[ . 1 .]" 1
835 1 91 ASP HB2 1 92 PRO HD2 4.000 2.800 4.300 2.687 2.599 2.728 0.201 13 0 "[ . 1 .]" 1
836 1 91 ASP H 1 93 SER H 4.000 . 4.300 3.407 3.227 4.088 . 0 0 "[ . 1 .]" 1
837 1 91 ASP H 1 93 SER QB 5.000 . 5.300 4.953 4.885 5.132 . 0 0 "[ . 1 .]" 1
838 1 91 ASP HA 1 93 SER H 5.000 . 5.300 4.092 3.863 4.165 . 0 0 "[ . 1 .]" 1
839 1 91 ASP HB3 1 93 SER H 4.000 . 4.300 4.376 4.214 4.440 0.140 8 0 "[ . 1 .]" 1
840 1 91 ASP HB2 1 93 SER H 5.000 . 5.300 4.174 2.686 4.586 . 0 0 "[ . 1 .]" 1
841 1 91 ASP H 1 94 MET H 5.000 . 5.300 3.016 2.870 3.615 . 0 0 "[ . 1 .]" 1
842 1 91 ASP H 1 94 MET HB3 4.000 . 4.300 4.305 3.105 4.454 0.154 1 0 "[ . 1 .]" 1
843 1 91 ASP H 1 94 MET HB2 4.000 . 4.300 2.802 2.155 2.942 . 0 0 "[ . 1 .]" 1
844 1 91 ASP H 1 94 MET QG 5.000 . 5.300 4.673 4.104 4.780 . 0 0 "[ . 1 .]" 1
845 1 92 PRO HD3 1 93 SER H 4.000 . 4.300 4.365 4.145 4.435 0.135 15 0 "[ . 1 .]" 1
846 1 92 PRO HD2 1 93 SER H 4.000 . 4.300 3.883 3.239 4.047 . 0 0 "[ . 1 .]" 1
847 1 92 PRO HA 1 94 MET H 4.000 . 4.300 4.062 3.443 4.290 . 0 0 "[ . 1 .]" 1
848 1 92 PRO HA 1 95 ASP H 4.000 . 4.300 4.405 4.266 4.472 0.172 5 0 "[ . 1 .]" 1
849 1 93 SER H 1 94 MET H 3.000 . 3.300 1.886 1.691 3.006 0.109 3 0 "[ . 1 .]" 1
850 1 93 SER HA 1 94 MET H 5.000 . 5.300 3.439 3.043 3.519 . 0 0 "[ . 1 .]" 1
851 1 93 SER HB3 1 94 MET H 5.000 . 5.300 3.650 3.352 4.679 . 0 0 "[ . 1 .]" 1
852 1 93 SER HB2 1 94 MET H 5.000 . 5.300 4.036 3.346 4.583 . 0 0 "[ . 1 .]" 1
853 1 93 SER H 1 95 ASP H 5.000 . 5.300 3.748 3.379 5.076 . 0 0 "[ . 1 .]" 1
854 1 93 SER HA 1 95 ASP H 4.000 . 4.300 4.160 3.990 4.409 0.109 5 0 "[ . 1 .]" 1
855 1 94 MET H 1 95 ASP H 3.000 . 3.300 2.811 2.185 2.950 . 0 0 "[ . 1 .]" 1
856 1 94 MET H 1 95 ASP HB3 5.000 . 5.300 5.384 5.120 5.555 0.255 3 0 "[ . 1 .]" 1
857 1 94 MET H 1 95 ASP HB2 5.000 . 5.300 5.069 3.828 5.448 0.148 9 0 "[ . 1 .]" 1
858 1 94 MET HA 1 95 ASP H 4.000 . 4.300 2.738 2.646 2.779 . 0 0 "[ . 1 .]" 1
859 1 94 MET HB3 1 95 ASP H 5.000 . 5.300 4.384 4.286 4.413 . 0 0 "[ . 1 .]" 1
860 1 94 MET HB2 1 95 ASP H 5.000 . 5.300 4.251 4.207 4.337 . 0 0 "[ . 1 .]" 1
861 1 94 MET QG 1 95 ASP H 5.000 . 5.300 4.507 4.453 4.552 . 0 0 "[ . 1 .]" 1
862 1 94 MET ME 1 97 LEU QD 5.000 . 5.300 2.734 1.920 3.351 . 0 0 "[ . 1 .]" 1
863 1 95 ASP H 1 96 GLY H 5.000 . 5.300 4.420 4.368 4.478 . 0 0 "[ . 1 .]" 1
864 1 95 ASP HA 1 96 GLY H 4.000 . 4.300 2.165 2.125 2.215 . 0 0 "[ . 1 .]" 1
865 1 95 ASP HB3 1 96 GLY H 5.000 . 5.300 3.479 3.265 3.634 . 0 0 "[ . 1 .]" 1
866 1 95 ASP HB2 1 96 GLY H 5.000 . 5.300 4.022 3.833 4.369 . 0 0 "[ . 1 .]" 1
867 1 96 GLY H 1 97 LEU H 3.000 . 3.300 2.253 2.113 2.363 . 0 0 "[ . 1 .]" 1
868 1 96 GLY H 1 97 LEU HA 5.000 . 5.300 4.832 4.674 4.910 . 0 0 "[ . 1 .]" 1
869 1 96 GLY H 1 97 LEU QB 5.000 . 5.300 4.045 3.628 4.630 . 0 0 "[ . 1 .]" 1
870 1 96 GLY H 1 97 LEU QD 5.000 . 5.300 3.826 3.108 4.093 . 0 0 "[ . 1 .]" 1
871 1 97 LEU HA 1 98 ILE H 2.200 . 2.500 2.229 2.117 2.321 . 0 0 "[ . 1 .]" 1
872 1 98 ILE H 1 99 VAL H 5.000 . 5.300 4.348 4.021 4.490 . 0 0 "[ . 1 .]" 1
873 1 98 ILE HA 1 99 VAL H 2.200 . 2.500 2.151 2.082 2.209 . 0 0 "[ . 1 .]" 1
874 1 98 ILE HB 1 99 VAL H 5.000 2.800 5.300 4.119 3.997 4.287 . 0 0 "[ . 1 .]" 1
875 1 98 ILE MG 1 99 VAL H 3.000 . 3.300 2.480 2.271 2.772 . 0 0 "[ . 1 .]" 1
876 1 99 VAL HA 1 100 ARG H 2.200 . 2.500 2.422 2.242 2.609 0.109 13 0 "[ . 1 .]" 1
877 1 99 VAL HB 1 100 ARG H 4.000 . 4.300 2.985 2.484 3.419 . 0 0 "[ . 1 .]" 1
878 1 99 VAL MG1 1 100 ARG H 4.000 . 4.300 2.074 1.781 2.355 0.019 8 0 "[ . 1 .]" 1
879 1 99 VAL MG2 1 100 ARG H 5.000 . 5.300 4.023 3.775 4.210 . 0 0 "[ . 1 .]" 1
880 1 100 ARG H 1 101 VAL H 5.000 . 5.300 4.360 4.171 4.458 . 0 0 "[ . 1 .]" 1
881 1 100 ARG HA 1 101 VAL H 2.200 . 2.500 2.340 2.227 2.448 . 0 0 "[ . 1 .]" 1
882 1 100 ARG HB3 1 101 VAL H 5.000 . 5.300 2.733 2.349 3.236 . 0 0 "[ . 1 .]" 1
883 1 100 ARG HB2 1 101 VAL H 5.000 . 5.300 3.642 3.240 4.345 . 0 0 "[ . 1 .]" 1
884 1 100 ARG HG3 1 101 VAL H 5.000 . 5.300 4.862 4.178 5.225 . 0 0 "[ . 1 .]" 1
885 1 100 ARG HG2 1 101 VAL H 5.000 . 5.300 4.255 3.328 4.826 . 0 0 "[ . 1 .]" 1
886 1 101 VAL H 1 102 PRO QD 5.000 . 5.300 3.996 2.471 4.375 . 0 0 "[ . 1 .]" 1
887 1 101 VAL HA 1 102 PRO HD3 3.000 . 3.300 2.330 1.844 2.837 . 0 0 "[ . 1 .]" 1
888 1 101 VAL HA 1 102 PRO HD2 3.000 . 3.300 2.225 2.048 2.732 . 0 0 "[ . 1 .]" 1
889 1 101 VAL MG1 1 102 PRO HD3 5.000 . 5.300 3.530 2.784 4.496 . 0 0 "[ . 1 .]" 1
890 1 101 VAL MG1 1 102 PRO HD2 5.000 . 5.300 2.392 1.768 4.078 0.032 4 0 "[ . 1 .]" 1
891 1 101 VAL MG2 1 102 PRO HD3 5.000 . 5.300 4.205 3.698 4.420 . 0 0 "[ . 1 .]" 1
892 1 101 VAL MG2 1 102 PRO HD2 5.000 . 5.300 3.775 3.219 4.462 . 0 0 "[ . 1 .]" 1
893 1 102 PRO HA 1 103 LEU H 2.200 . 2.500 2.571 2.500 2.714 0.214 13 0 "[ . 1 .]" 1
894 1 102 PRO QB 1 103 LEU H 4.000 . 4.300 2.278 2.032 3.943 . 0 0 "[ . 1 .]" 1
895 1 102 PRO QG 1 103 LEU H 4.000 . 4.300 3.898 3.845 4.004 . 0 0 "[ . 1 .]" 1
896 1 103 LEU H 1 104 PRO HD3 5.000 . 5.300 4.766 4.441 5.112 . 0 0 "[ . 1 .]" 1
897 1 103 LEU H 1 104 PRO HD2 5.000 . 5.300 5.010 4.629 5.284 . 0 0 "[ . 1 .]" 1
898 1 103 LEU HA 1 104 PRO HD3 3.000 . 3.300 2.156 1.847 2.690 . 0 0 "[ . 1 .]" 1
899 1 103 LEU HA 1 104 PRO HD2 3.000 . 3.300 2.713 2.189 3.255 . 0 0 "[ . 1 .]" 1
900 1 103 LEU QB 1 104 PRO HD3 4.000 . 4.300 3.166 2.363 3.844 . 0 0 "[ . 1 .]" 1
901 1 103 LEU QB 1 104 PRO HD2 4.000 . 4.300 2.412 1.808 3.715 . 0 0 "[ . 1 .]" 1
902 1 103 LEU QD 1 104 PRO HD3 5.000 . 5.300 3.324 2.463 3.858 . 0 0 "[ . 1 .]" 1
903 1 103 LEU QD 1 104 PRO HD2 5.000 . 5.300 2.743 1.828 3.917 . 0 0 "[ . 1 .]" 1
904 1 104 PRO HA 1 105 ALA H 2.200 . 2.500 2.355 2.165 2.594 0.094 3 0 "[ . 1 .]" 1
905 1 104 PRO QD 1 105 ALA H 5.000 . 5.300 4.682 4.190 4.813 . 0 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 16
_Distance_constraint_stats_list.Viol_count 25
_Distance_constraint_stats_list.Viol_total 61.381
_Distance_constraint_stats_list.Viol_max 0.692
_Distance_constraint_stats_list.Viol_rms 0.0887
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0171
_Distance_constraint_stats_list.Viol_average_violations_only 0.1637
_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 24 MET 3.503 0.692 14 3 "[ *. 1- +.]"
1 25 GLU 0.374 0.086 6 0 "[ . 1 .]"
1 67 GLU 0.216 0.057 2 0 "[ . 1 .]"
1 70 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 71 LEU 0.000 0.000 . 0 "[ . 1 .]"
2 1 FES 4.092 0.692 14 3 "[ *. 1- +.]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 67 GLU HA 2 1 FES FE1 8.000 5.000 11.000 10.798 9.405 11.057 0.057 2 0 "[ . 1 .]" 2
2 1 67 GLU HA 2 1 FES FE2 8.000 5.000 11.000 9.774 7.883 10.478 . 0 0 "[ . 1 .]" 2
3 1 70 LEU MD1 2 1 FES FE1 8.000 5.000 11.000 8.209 6.768 9.054 . 0 0 "[ . 1 .]" 2
4 1 70 LEU MD1 2 1 FES FE2 8.000 5.000 11.000 8.303 6.528 9.036 . 0 0 "[ . 1 .]" 2
5 1 70 LEU MD2 2 1 FES FE1 8.000 5.000 11.000 8.068 6.916 9.089 . 0 0 "[ . 1 .]" 2
6 1 70 LEU MD2 2 1 FES FE2 8.000 5.000 11.000 7.987 6.844 9.168 . 0 0 "[ . 1 .]" 2
7 1 71 LEU MD1 2 1 FES FE1 8.000 5.000 11.000 8.338 6.751 9.123 . 0 0 "[ . 1 .]" 2
8 1 71 LEU MD1 2 1 FES FE2 8.000 5.000 11.000 7.687 5.737 8.579 . 0 0 "[ . 1 .]" 2
9 1 71 LEU MD2 2 1 FES FE1 8.000 5.000 11.000 8.384 7.215 9.069 . 0 0 "[ . 1 .]" 2
10 1 71 LEU MD2 2 1 FES FE2 8.000 5.000 11.000 7.702 6.540 8.690 . 0 0 "[ . 1 .]" 2
11 1 24 MET H 2 1 FES FE1 8.000 5.000 11.000 10.439 9.919 10.765 . 0 0 "[ . 1 .]" 2
12 1 24 MET H 2 1 FES FE2 8.000 5.000 11.000 8.351 7.727 8.777 . 0 0 "[ . 1 .]" 2
13 1 24 MET ME 2 1 FES FE1 8.000 5.000 11.000 6.043 4.402 7.935 0.598 4 2 "[ +. 1 -.]" 2
14 1 24 MET ME 2 1 FES FE2 8.000 5.000 11.000 5.581 4.308 7.393 0.692 14 2 "[ . 1- +.]" 2
15 1 25 GLU H 2 1 FES FE1 8.000 5.000 11.000 10.992 10.768 11.086 0.086 6 0 "[ . 1 .]" 2
16 1 25 GLU H 2 1 FES FE2 8.000 5.000 11.000 9.255 8.918 9.615 . 0 0 "[ . 1 .]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 204
_Distance_constraint_stats_list.Viol_count 132
_Distance_constraint_stats_list.Viol_total 135.992
_Distance_constraint_stats_list.Viol_max 0.382
_Distance_constraint_stats_list.Viol_rms 0.0193
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0687
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 3 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 4 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 5 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 6 ILE 1.130 0.382 5 0 "[ . 1 .]"
1 7 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 8 GLU 1.097 0.125 9 0 "[ . 1 .]"
1 9 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 10 SER 0.000 0.000 . 0 "[ . 1 .]"
1 13 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 15 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 16 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 18 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 21 GLN 2.995 0.187 14 0 "[ . 1 .]"
1 22 SER 0.000 0.000 . 0 "[ . 1 .]"
1 26 VAL 0.761 0.077 14 0 "[ . 1 .]"
1 28 THR 0.055 0.021 13 0 "[ . 1 .]"
1 29 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 30 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 32 VAL 0.106 0.027 11 0 "[ . 1 .]"
1 35 ILE 0.144 0.070 4 0 "[ . 1 .]"
1 50 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 52 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 53 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 56 TRP 0.000 0.000 . 0 "[ . 1 .]"
1 57 VAL 0.002 0.002 7 0 "[ . 1 .]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 59 ILE 1.291 0.102 12 0 "[ . 1 .]"
1 60 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 64 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 68 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 69 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 72 GLN 0.009 0.009 12 0 "[ . 1 .]"
1 73 SER 0.000 0.000 . 0 "[ . 1 .]"
1 74 THR 0.000 0.000 . 0 "[ . 1 .]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 78 MET 0.000 0.000 . 0 "[ . 1 .]"
1 79 THR 0.000 0.000 . 0 "[ . 1 .]"
1 82 THR 0.000 0.000 . 0 "[ . 1 .]"
1 88 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 89 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 90 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 91 ASP 0.694 0.346 1 0 "[ . 1 .]"
1 93 SER 0.066 0.066 1 0 "[ . 1 .]"
1 94 MET 0.638 0.158 13 0 "[ . 1 .]"
1 95 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 99 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 100 ARG 0.031 0.031 14 0 "[ . 1 .]"
1 101 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 103 LEU 0.045 0.036 12 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ARG H 1 2 ARG QB 3.000 . 3.300 2.397 2.326 2.516 . 0 0 "[ . 1 .]" 3
2 1 2 ARG H 1 2 ARG HG3 5.000 . 5.300 4.389 3.890 4.816 . 0 0 "[ . 1 .]" 3
3 1 2 ARG H 1 2 ARG HG2 5.000 . 5.300 4.398 3.915 4.717 . 0 0 "[ . 1 .]" 3
4 1 2 ARG H 1 2 ARG QD 5.000 . 5.300 4.643 3.825 4.777 . 0 0 "[ . 1 .]" 3
5 1 3 VAL H 1 3 VAL HB 3.000 . 3.300 2.815 2.746 2.846 . 0 0 "[ . 1 .]" 3
6 1 3 VAL H 1 3 VAL MG2 4.000 . 4.300 3.622 3.591 3.641 . 0 0 "[ . 1 .]" 3
7 1 3 VAL HA 1 3 VAL MG2 3.000 . 3.300 1.942 1.862 2.116 . 0 0 "[ . 1 .]" 3
8 1 3 VAL HA 1 3 VAL MG1 3.000 . 3.300 2.830 2.814 2.841 . 0 0 "[ . 1 .]" 3
9 1 4 VAL H 1 4 VAL HB 3.000 . 3.300 2.921 2.887 2.987 . 0 0 "[ . 1 .]" 3
10 1 4 VAL H 1 4 VAL MG2 4.000 . 4.300 3.431 3.398 3.487 . 0 0 "[ . 1 .]" 3
11 1 4 VAL HA 1 4 VAL MG2 3.000 . 3.300 2.052 2.026 2.102 . 0 0 "[ . 1 .]" 3
12 1 4 VAL HA 1 4 VAL MG1 3.000 . 3.300 2.521 2.490 2.540 . 0 0 "[ . 1 .]" 3
13 1 5 PHE H 1 5 PHE HB2 3.000 . 3.300 2.274 2.238 2.320 . 0 0 "[ . 1 .]" 3
14 1 5 PHE H 1 5 PHE HB3 4.000 . 4.300 3.547 3.528 3.580 . 0 0 "[ . 1 .]" 3
15 1 5 PHE H 1 5 PHE QD 3.000 . 3.300 2.598 2.548 2.644 . 0 0 "[ . 1 .]" 3
16 1 5 PHE H 1 5 PHE QE 5.000 . 5.300 4.749 4.694 4.772 . 0 0 "[ . 1 .]" 3
17 1 5 PHE HA 1 5 PHE QD 3.000 . 3.300 2.672 2.623 2.724 . 0 0 "[ . 1 .]" 3
18 1 5 PHE HA 1 5 PHE QE 5.000 . 5.300 4.599 4.549 4.662 . 0 0 "[ . 1 .]" 3
19 1 6 ILE H 1 6 ILE HB 3.000 . 3.300 3.004 2.788 3.174 . 0 0 "[ . 1 .]" 3
20 1 6 ILE H 1 6 ILE HG13 4.000 . 4.300 4.041 3.662 4.315 0.015 11 0 "[ . 1 .]" 3
21 1 6 ILE H 1 6 ILE HG12 4.000 . 4.300 3.106 2.526 4.682 0.382 5 0 "[ . 1 .]" 3
22 1 6 ILE H 1 6 ILE MG 4.000 . 4.300 3.908 3.804 3.947 . 0 0 "[ . 1 .]" 3
23 1 6 ILE H 1 6 ILE MD 4.000 . 4.300 3.608 3.081 3.804 . 0 0 "[ . 1 .]" 3
24 1 6 ILE HA 1 6 ILE QG 3.000 . 3.300 2.833 2.152 3.065 . 0 0 "[ . 1 .]" 3
25 1 6 ILE HA 1 6 ILE MG 3.000 . 3.300 2.116 1.949 2.429 . 0 0 "[ . 1 .]" 3
26 1 6 ILE HA 1 6 ILE MD 4.000 . 4.300 2.513 2.019 3.454 . 0 0 "[ . 1 .]" 3
27 1 7 ASP H 1 7 ASP QB 3.000 . 3.300 2.921 2.899 2.950 . 0 0 "[ . 1 .]" 3
28 1 8 GLU H 1 8 GLU HB3 3.000 . 3.300 2.546 2.122 3.050 . 0 0 "[ . 1 .]" 3
29 1 8 GLU H 1 8 GLU HG3 4.000 . 4.300 4.181 3.271 4.413 0.113 6 0 "[ . 1 .]" 3
30 1 8 GLU H 1 8 GLU HG2 4.000 . 4.300 4.288 4.082 4.425 0.125 9 0 "[ . 1 .]" 3
31 1 8 GLU HA 1 8 GLU HG3 4.000 . 4.300 3.060 2.553 3.618 . 0 0 "[ . 1 .]" 3
32 1 8 GLU HA 1 8 GLU HG2 4.000 . 4.300 3.168 2.065 4.183 . 0 0 "[ . 1 .]" 3
33 1 9 GLN H 1 9 GLN HB2 3.000 . 3.300 2.388 2.176 2.906 . 0 0 "[ . 1 .]" 3
34 1 9 GLN H 1 9 GLN HB3 4.000 . 4.300 3.555 3.410 3.759 . 0 0 "[ . 1 .]" 3
35 1 10 SER H 1 10 SER HB2 4.000 . 4.300 3.153 2.540 3.924 . 0 0 "[ . 1 .]" 3
36 1 10 SER H 1 10 SER HB3 3.000 . 3.300 2.923 2.491 3.248 . 0 0 "[ . 1 .]" 3
37 1 13 TYR H 1 13 TYR HB3 4.000 . 4.300 3.804 3.778 3.820 . 0 0 "[ . 1 .]" 3
38 1 13 TYR H 1 13 TYR HB2 3.000 . 3.300 2.723 2.689 2.750 . 0 0 "[ . 1 .]" 3
39 1 13 TYR H 1 13 TYR QD 3.000 . 3.300 3.033 2.994 3.072 . 0 0 "[ . 1 .]" 3
40 1 13 TYR HA 1 13 TYR QD 3.000 . 3.300 3.049 3.019 3.086 . 0 0 "[ . 1 .]" 3
41 1 13 TYR HA 1 13 TYR QE 5.000 . 5.300 4.555 4.517 4.572 . 0 0 "[ . 1 .]" 3
42 1 15 VAL H 1 15 VAL HB 4.000 . 4.300 3.243 3.162 3.284 . 0 0 "[ . 1 .]" 3
43 1 15 VAL H 1 15 VAL MG1 3.000 . 3.300 2.803 2.772 2.834 . 0 0 "[ . 1 .]" 3
44 1 15 VAL HA 1 15 VAL MG2 3.000 . 3.300 2.150 2.104 2.174 . 0 0 "[ . 1 .]" 3
45 1 16 ASP H 1 16 ASP HB2 3.000 . 3.300 3.039 2.983 3.071 . 0 0 "[ . 1 .]" 3
46 1 18 GLN H 1 18 GLN HB2 3.000 . 3.300 2.942 2.747 3.067 . 0 0 "[ . 1 .]" 3
47 1 18 GLN H 1 18 GLN QG 3.000 . 3.300 2.759 2.531 2.976 . 0 0 "[ . 1 .]" 3
48 1 18 GLN HA 1 18 GLN QG 3.000 . 3.300 2.696 2.454 3.003 . 0 0 "[ . 1 .]" 3
49 1 19 ASP H 1 19 ASP HB3 4.000 . 4.300 3.550 3.447 3.618 . 0 0 "[ . 1 .]" 3
50 1 19 ASP H 1 19 ASP HB2 3.000 . 3.300 2.960 2.738 3.255 . 0 0 "[ . 1 .]" 3
51 1 21 GLN H 1 21 GLN QB 3.000 . 3.300 2.543 2.357 2.891 . 0 0 "[ . 1 .]" 3
52 1 21 GLN H 1 21 GLN QG 3.000 . 3.300 2.823 2.338 2.958 . 0 0 "[ . 1 .]" 3
53 1 21 GLN H 1 21 GLN HE22 5.000 . 5.300 5.377 5.357 5.392 0.092 2 0 "[ . 1 .]" 3
54 1 21 GLN HA 1 21 GLN HG3 3.000 . 3.300 2.812 2.662 3.288 . 0 0 "[ . 1 .]" 3
55 1 21 GLN HA 1 21 GLN HG2 3.000 . 3.300 2.822 2.682 2.971 . 0 0 "[ . 1 .]" 3
56 1 21 GLN QB 1 21 GLN HE21 4.000 . 4.300 1.772 1.747 1.809 0.053 3 0 "[ . 1 .]" 3
57 1 21 GLN HE21 1 21 GLN HG3 3.000 . 3.300 3.344 2.740 3.413 0.113 7 0 "[ . 1 .]" 3
58 1 21 GLN HE21 1 21 GLN HG2 3.000 . 3.300 3.135 3.036 3.487 0.187 14 0 "[ . 1 .]" 3
59 1 21 GLN HE22 1 21 GLN HG3 4.000 . 4.300 3.982 3.696 4.020 . 0 0 "[ . 1 .]" 3
60 1 21 GLN HE22 1 21 GLN HG2 4.000 . 4.300 3.885 3.835 4.063 . 0 0 "[ . 1 .]" 3
61 1 22 SER H 1 22 SER HB3 3.000 . 3.300 2.686 2.313 3.203 . 0 0 "[ . 1 .]" 3
62 1 22 SER H 1 22 SER HB2 4.000 . 4.300 3.634 3.528 3.705 . 0 0 "[ . 1 .]" 3
63 1 26 VAL H 1 26 VAL HB 3.000 . 3.300 3.219 3.169 3.248 . 0 0 "[ . 1 .]" 3
64 1 26 VAL H 1 26 VAL MG2 3.000 . 3.300 1.749 1.723 1.780 0.077 14 0 "[ . 1 .]" 3
65 1 26 VAL H 1 26 VAL MG1 4.000 . 4.300 3.567 3.541 3.608 . 0 0 "[ . 1 .]" 3
66 1 26 VAL HA 1 26 VAL MG1 3.000 . 3.300 2.054 1.994 2.092 . 0 0 "[ . 1 .]" 3
67 1 26 VAL HA 1 26 VAL MG2 3.000 . 3.300 2.809 2.784 2.819 . 0 0 "[ . 1 .]" 3
68 1 28 THR H 1 28 THR MG 3.000 . 3.300 1.800 1.779 1.809 0.021 13 0 "[ . 1 .]" 3
69 1 29 GLN H 1 29 GLN QG 3.000 . 3.300 2.531 2.302 2.971 . 0 0 "[ . 1 .]" 3
70 1 29 GLN H 1 29 GLN HE21 5.000 . 5.300 4.767 3.876 5.247 . 0 0 "[ . 1 .]" 3
71 1 29 GLN HA 1 29 GLN QG 3.000 . 3.300 2.475 2.299 2.816 . 0 0 "[ . 1 .]" 3
72 1 30 ASN H 1 30 ASN HB2 3.000 . 3.300 3.021 3.004 3.049 . 0 0 "[ . 1 .]" 3
73 1 30 ASN H 1 30 ASN HB3 4.000 . 4.300 3.540 3.527 3.548 . 0 0 "[ . 1 .]" 3
74 1 30 ASN H 1 30 ASN HD21 4.000 . 4.300 3.713 3.696 3.737 . 0 0 "[ . 1 .]" 3
75 1 30 ASN H 1 30 ASN HD22 4.000 . 4.300 3.581 3.562 3.611 . 0 0 "[ . 1 .]" 3
76 1 32 VAL H 1 32 VAL HB 3.000 . 3.300 2.674 2.556 2.812 . 0 0 "[ . 1 .]" 3
77 1 32 VAL H 1 32 VAL MG2 3.000 . 3.300 1.818 1.773 1.946 0.027 11 0 "[ . 1 .]" 3
78 1 32 VAL H 1 32 VAL MG1 4.000 . 4.300 3.674 3.650 3.713 . 0 0 "[ . 1 .]" 3
79 1 32 VAL HA 1 32 VAL MG1 3.000 . 3.300 2.330 2.205 2.406 . 0 0 "[ . 1 .]" 3
80 1 32 VAL HA 1 32 VAL MG2 3.000 . 3.300 2.466 2.416 2.552 . 0 0 "[ . 1 .]" 3
81 1 35 ILE H 1 35 ILE HB 3.000 . 3.300 2.903 2.409 3.370 0.070 4 0 "[ . 1 .]" 3
82 1 50 ILE H 1 50 ILE HB 3.000 . 3.300 2.679 2.285 3.189 . 0 0 "[ . 1 .]" 3
83 1 51 GLU H 1 51 GLU HB3 4.000 . 4.300 3.655 3.513 3.811 . 0 0 "[ . 1 .]" 3
84 1 51 GLU H 1 51 GLU HB2 3.000 . 3.300 2.608 2.458 2.724 . 0 0 "[ . 1 .]" 3
85 1 51 GLU H 1 51 GLU QG 4.000 . 4.300 3.605 3.403 3.740 . 0 0 "[ . 1 .]" 3
86 1 52 ILE H 1 52 ILE HB 3.000 . 3.300 2.449 2.384 2.512 . 0 0 "[ . 1 .]" 3
87 1 52 ILE H 1 52 ILE QG 3.000 . 3.300 2.172 2.076 2.286 . 0 0 "[ . 1 .]" 3
88 1 52 ILE H 1 52 ILE MD 4.000 . 4.300 3.625 3.530 3.672 . 0 0 "[ . 1 .]" 3
89 1 52 ILE HA 1 52 ILE HG13 4.000 . 4.300 3.768 3.731 3.793 . 0 0 "[ . 1 .]" 3
90 1 52 ILE HA 1 52 ILE HG12 4.000 . 4.300 2.800 2.739 2.894 . 0 0 "[ . 1 .]" 3
91 1 52 ILE HA 1 52 ILE MG 3.000 . 3.300 2.433 2.340 2.490 . 0 0 "[ . 1 .]" 3
92 1 53 GLU H 1 53 GLU HB3 3.000 . 3.300 2.307 2.180 2.511 . 0 0 "[ . 1 .]" 3
93 1 53 GLU H 1 53 GLU HB2 4.000 . 4.300 3.554 3.468 3.678 . 0 0 "[ . 1 .]" 3
94 1 56 TRP H 1 56 TRP HB2 3.000 . 3.300 2.463 2.422 2.496 . 0 0 "[ . 1 .]" 3
95 1 56 TRP H 1 56 TRP HB3 4.000 . 4.300 3.627 3.605 3.652 . 0 0 "[ . 1 .]" 3
96 1 56 TRP H 1 56 TRP HD1 4.000 . 4.300 2.052 1.998 2.126 . 0 0 "[ . 1 .]" 3
97 1 56 TRP H 1 56 TRP HE1 5.000 . 5.300 4.491 4.413 4.590 . 0 0 "[ . 1 .]" 3
98 1 56 TRP HB2 1 56 TRP HD1 3.000 . 3.300 2.802 2.739 2.856 . 0 0 "[ . 1 .]" 3
99 1 56 TRP HB3 1 56 TRP HE1 5.000 . 5.300 5.242 5.230 5.253 . 0 0 "[ . 1 .]" 3
100 1 56 TRP HB2 1 56 TRP HE1 5.000 . 5.300 4.811 4.788 4.823 . 0 0 "[ . 1 .]" 3
101 1 57 VAL H 1 57 VAL MG2 3.000 . 3.300 1.850 1.798 1.932 0.002 7 0 "[ . 1 .]" 3
102 1 57 VAL H 1 57 VAL MG1 4.000 . 4.300 3.716 3.696 3.725 . 0 0 "[ . 1 .]" 3
103 1 57 VAL H 1 57 VAL HB 3.000 . 3.300 2.590 2.537 2.736 . 0 0 "[ . 1 .]" 3
104 1 57 VAL HA 1 57 VAL MG1 3.000 . 3.300 2.298 2.134 2.357 . 0 0 "[ . 1 .]" 3
105 1 57 VAL HA 1 57 VAL MG2 3.000 . 3.300 2.411 2.360 2.438 . 0 0 "[ . 1 .]" 3
106 1 58 GLU H 1 58 GLU QB 3.000 . 3.300 2.477 2.137 2.816 . 0 0 "[ . 1 .]" 3
107 1 59 ILE H 1 59 ILE HB 3.000 . 3.300 2.368 2.332 2.398 . 0 0 "[ . 1 .]" 3
108 1 59 ILE H 1 59 ILE HG13 4.000 . 4.300 3.198 3.153 3.223 . 0 0 "[ . 1 .]" 3
109 1 59 ILE H 1 59 ILE HG12 4.000 . 4.300 4.386 4.361 4.402 0.102 12 0 "[ . 1 .]" 3
110 1 59 ILE H 1 59 ILE MD 4.000 . 4.300 3.573 3.513 3.607 . 0 0 "[ . 1 .]" 3
111 1 59 ILE HA 1 59 ILE HG13 4.000 . 4.300 2.393 2.370 2.432 . 0 0 "[ . 1 .]" 3
112 1 59 ILE HA 1 59 ILE HG12 4.000 . 4.300 2.785 2.751 2.832 . 0 0 "[ . 1 .]" 3
113 1 59 ILE HA 1 59 ILE MD 4.000 . 4.300 3.742 3.726 3.755 . 0 0 "[ . 1 .]" 3
114 1 60 VAL H 1 60 VAL HB 3.000 . 3.300 2.507 2.335 2.619 . 0 0 "[ . 1 .]" 3
115 1 60 VAL H 1 60 VAL MG2 3.000 . 3.300 2.360 2.255 2.482 . 0 0 "[ . 1 .]" 3
116 1 60 VAL HA 1 60 VAL MG2 3.000 . 3.300 2.417 2.346 2.458 . 0 0 "[ . 1 .]" 3
117 1 60 VAL HA 1 60 VAL MG1 3.000 . 3.300 2.351 2.198 2.461 . 0 0 "[ . 1 .]" 3
118 1 62 GLU H 1 62 GLU HB2 3.000 . 3.300 2.377 2.165 2.857 . 0 0 "[ . 1 .]" 3
119 1 62 GLU H 1 62 GLU HB3 4.000 . 4.300 3.550 3.467 3.616 . 0 0 "[ . 1 .]" 3
120 1 62 GLU H 1 62 GLU QG 3.000 . 3.300 2.532 1.805 2.953 . 0 0 "[ . 1 .]" 3
121 1 64 ASN H 1 64 ASN HB3 4.000 . 4.300 2.911 2.250 3.281 . 0 0 "[ . 1 .]" 3
122 1 64 ASN H 1 64 ASN HB2 4.000 . 4.300 3.458 3.354 3.587 . 0 0 "[ . 1 .]" 3
123 1 64 ASN H 1 64 ASN HD21 5.000 . 5.300 3.677 2.310 4.713 . 0 0 "[ . 1 .]" 3
124 1 64 ASN H 1 64 ASN HD22 5.000 . 5.300 3.750 2.726 4.752 . 0 0 "[ . 1 .]" 3
125 1 66 ASP H 1 66 ASP HB3 4.000 . 4.300 3.581 3.428 3.656 . 0 0 "[ . 1 .]" 3
126 1 66 ASP H 1 66 ASP HB2 4.000 . 4.300 2.423 2.199 2.748 . 0 0 "[ . 1 .]" 3
127 1 68 ASN H 1 68 ASN HB3 3.000 . 3.300 2.472 2.212 2.831 . 0 0 "[ . 1 .]" 3
128 1 68 ASN H 1 68 ASN HB2 3.000 . 3.300 2.675 2.258 3.086 . 0 0 "[ . 1 .]" 3
129 1 68 ASN QB 1 68 ASN HD21 3.000 . 3.300 2.531 2.086 2.818 . 0 0 "[ . 1 .]" 3
130 1 69 ASP H 1 69 ASP QB 3.000 . 3.300 2.233 2.052 2.300 . 0 0 "[ . 1 .]" 3
131 1 72 GLN H 1 72 GLN HB3 4.000 . 4.300 3.504 3.454 3.560 . 0 0 "[ . 1 .]" 3
132 1 72 GLN H 1 72 GLN HB2 3.000 . 3.300 2.211 2.140 2.319 . 0 0 "[ . 1 .]" 3
133 1 72 GLN H 1 72 GLN HG3 4.000 . 4.300 3.477 3.143 4.309 0.009 12 0 "[ . 1 .]" 3
134 1 72 GLN H 1 72 GLN HG2 4.000 . 4.300 3.219 2.743 4.133 . 0 0 "[ . 1 .]" 3
135 1 72 GLN H 1 72 GLN HE21 5.000 . 5.300 4.581 2.167 5.290 . 0 0 "[ . 1 .]" 3
136 1 72 GLN HA 1 72 GLN HE21 5.000 . 5.300 2.994 2.003 4.471 . 0 0 "[ . 1 .]" 3
137 1 72 GLN HA 1 72 GLN HE22 5.000 . 5.300 4.232 3.346 5.063 . 0 0 "[ . 1 .]" 3
138 1 72 GLN HB3 1 72 GLN HE22 5.000 . 5.300 3.794 3.245 5.042 . 0 0 "[ . 1 .]" 3
139 1 72 GLN HB2 1 72 GLN HE22 5.000 . 5.300 4.731 4.075 5.181 . 0 0 "[ . 1 .]" 3
140 1 73 SER H 1 73 SER HB3 3.000 . 3.300 2.697 2.080 3.244 . 0 0 "[ . 1 .]" 3
141 1 73 SER H 1 73 SER HB2 4.000 . 4.300 2.654 2.074 3.618 . 0 0 "[ . 1 .]" 3
142 1 74 THR H 1 74 THR MG 4.000 . 4.300 2.093 1.848 2.469 . 0 0 "[ . 1 .]" 3
143 1 74 THR HA 1 74 THR MG 3.000 . 3.300 2.482 2.281 2.619 . 0 0 "[ . 1 .]" 3
144 1 76 GLU H 1 76 GLU HB2 3.000 . 3.300 2.437 2.203 2.820 . 0 0 "[ . 1 .]" 3
145 1 76 GLU H 1 76 GLU HB3 4.000 . 4.300 3.604 3.450 3.753 . 0 0 "[ . 1 .]" 3
146 1 76 GLU H 1 76 GLU HG3 4.000 . 4.300 3.320 2.433 3.978 . 0 0 "[ . 1 .]" 3
147 1 76 GLU H 1 76 GLU HG2 4.000 . 4.300 3.685 2.324 4.273 . 0 0 "[ . 1 .]" 3
148 1 76 GLU HA 1 76 GLU QG 3.000 . 3.300 2.358 2.107 2.800 . 0 0 "[ . 1 .]" 3
149 1 78 MET H 1 78 MET HB3 4.000 . 4.300 3.798 3.581 4.007 . 0 0 "[ . 1 .]" 3
150 1 78 MET H 1 78 MET HB2 3.000 . 3.300 2.848 2.612 3.284 . 0 0 "[ . 1 .]" 3
151 1 78 MET H 1 78 MET QG 4.000 . 4.300 2.926 1.911 3.732 . 0 0 "[ . 1 .]" 3
152 1 79 THR H 1 79 THR MG 4.000 . 4.300 2.941 2.357 3.571 . 0 0 "[ . 1 .]" 3
153 1 79 THR HA 1 79 THR MG 3.000 . 3.300 2.423 2.105 2.756 . 0 0 "[ . 1 .]" 3
154 1 82 THR H 1 82 THR MG 4.000 . 4.300 3.598 3.506 3.651 . 0 0 "[ . 1 .]" 3
155 1 82 THR HA 1 82 THR MG 3.000 . 3.300 2.114 2.019 2.227 . 0 0 "[ . 1 .]" 3
156 1 88 VAL H 1 88 VAL HB 3.000 . 3.300 2.412 2.292 2.609 . 0 0 "[ . 1 .]" 3
157 1 88 VAL H 1 88 VAL MG2 3.000 . 3.300 2.719 2.275 2.841 . 0 0 "[ . 1 .]" 3
158 1 88 VAL H 1 88 VAL MG1 4.000 . 4.300 3.701 3.644 3.801 . 0 0 "[ . 1 .]" 3
159 1 88 VAL HA 1 88 VAL MG1 3.000 . 3.300 2.465 2.140 2.631 . 0 0 "[ . 1 .]" 3
160 1 88 VAL HA 1 88 VAL MG2 3.000 . 3.300 2.311 2.168 2.478 . 0 0 "[ . 1 .]" 3
161 1 89 PHE H 1 89 PHE HB2 3.000 . 3.300 2.704 2.527 2.985 . 0 0 "[ . 1 .]" 3
162 1 89 PHE H 1 89 PHE HB3 4.000 . 4.300 3.788 3.674 3.966 . 0 0 "[ . 1 .]" 3
163 1 89 PHE H 1 89 PHE QD 3.000 . 3.300 2.928 2.450 3.053 . 0 0 "[ . 1 .]" 3
164 1 89 PHE H 1 89 PHE QE 5.000 . 5.300 4.673 4.516 4.821 . 0 0 "[ . 1 .]" 3
165 1 89 PHE HA 1 89 PHE QD 4.000 . 4.300 2.326 1.898 3.080 . 0 0 "[ . 1 .]" 3
166 1 90 ILE H 1 90 ILE HB 3.000 . 3.300 2.403 2.363 2.484 . 0 0 "[ . 1 .]" 3
167 1 90 ILE H 1 90 ILE HG13 3.000 . 3.300 3.075 2.946 3.251 . 0 0 "[ . 1 .]" 3
168 1 90 ILE H 1 90 ILE HG12 3.000 . 3.300 2.141 2.061 2.211 . 0 0 "[ . 1 .]" 3
169 1 90 ILE H 1 90 ILE MG 4.000 . 4.300 3.693 3.681 3.711 . 0 0 "[ . 1 .]" 3
170 1 90 ILE H 1 90 ILE MD 4.000 . 4.300 3.694 3.653 3.735 . 0 0 "[ . 1 .]" 3
171 1 90 ILE HA 1 90 ILE MG 3.000 . 3.300 2.428 2.345 2.490 . 0 0 "[ . 1 .]" 3
172 1 90 ILE HA 1 90 ILE MD 3.000 . 3.300 2.454 2.287 2.591 . 0 0 "[ . 1 .]" 3
173 1 91 ASP H 1 91 ASP HB3 3.000 . 3.300 3.243 3.144 3.646 0.346 1 0 "[ . 1 .]" 3
174 1 93 SER H 1 93 SER HB3 3.000 . 3.300 2.837 2.574 3.366 0.066 1 0 "[ . 1 .]" 3
175 1 93 SER H 1 93 SER HB2 4.000 . 4.300 3.723 3.286 3.848 . 0 0 "[ . 1 .]" 3
176 1 94 MET H 1 94 MET HB2 3.000 . 3.300 2.502 2.391 2.872 . 0 0 "[ . 1 .]" 3
177 1 94 MET H 1 94 MET HB3 4.000 . 4.300 3.658 3.613 3.806 . 0 0 "[ . 1 .]" 3
178 1 94 MET H 1 94 MET HG3 4.000 . 4.300 3.230 3.022 4.111 . 0 0 "[ . 1 .]" 3
179 1 94 MET H 1 94 MET HG2 4.000 . 4.300 4.331 4.258 4.458 0.158 13 0 "[ . 1 .]" 3
180 1 94 MET HA 1 94 MET HG3 3.000 . 3.300 2.610 2.349 2.936 . 0 0 "[ . 1 .]" 3
181 1 94 MET HA 1 94 MET HG2 3.000 . 3.300 2.873 2.174 3.327 0.027 10 0 "[ . 1 .]" 3
182 1 95 ASP H 1 95 ASP HB3 4.000 . 4.300 3.551 3.533 3.577 . 0 0 "[ . 1 .]" 3
183 1 95 ASP H 1 95 ASP HB2 3.000 . 3.300 2.725 2.305 2.964 . 0 0 "[ . 1 .]" 3
184 1 99 VAL H 1 99 VAL HB 3.000 . 3.300 3.054 2.982 3.150 . 0 0 "[ . 1 .]" 3
185 1 99 VAL H 1 99 VAL MG2 3.000 . 3.300 2.069 1.868 2.277 . 0 0 "[ . 1 .]" 3
186 1 99 VAL HA 1 99 VAL MG1 3.000 . 3.300 1.847 1.833 1.891 . 0 0 "[ . 1 .]" 3
187 1 99 VAL HA 1 99 VAL MG2 3.000 . 3.300 2.704 2.646 2.753 . 0 0 "[ . 1 .]" 3
188 1 100 ARG H 1 100 ARG HB3 4.000 . 4.300 3.892 3.748 4.068 . 0 0 "[ . 1 .]" 3
189 1 100 ARG H 1 100 ARG HB2 3.000 . 3.300 3.004 2.683 3.331 0.031 14 0 "[ . 1 .]" 3
190 1 100 ARG H 1 100 ARG HG3 5.000 . 5.300 3.297 2.572 4.773 . 0 0 "[ . 1 .]" 3
191 1 100 ARG H 1 100 ARG HG2 5.000 . 5.300 4.011 3.195 4.886 . 0 0 "[ . 1 .]" 3
192 1 100 ARG H 1 100 ARG QD 5.000 . 5.300 4.537 4.071 4.787 . 0 0 "[ . 1 .]" 3
193 1 100 ARG HA 1 100 ARG HG3 4.000 . 4.300 3.207 2.432 3.650 . 0 0 "[ . 1 .]" 3
194 1 100 ARG HA 1 100 ARG HG2 4.000 . 4.300 2.713 2.489 2.980 . 0 0 "[ . 1 .]" 3
195 1 100 ARG HB3 1 100 ARG HD3 4.000 . 4.300 2.704 2.273 3.753 . 0 0 "[ . 1 .]" 3
196 1 100 ARG HB3 1 100 ARG HD2 4.000 . 4.300 3.380 2.336 3.882 . 0 0 "[ . 1 .]" 3
197 1 100 ARG HB2 1 100 ARG HD3 4.000 . 4.300 2.747 2.141 4.191 . 0 0 "[ . 1 .]" 3
198 1 100 ARG HB2 1 100 ARG HD2 4.000 . 4.300 3.166 2.624 3.744 . 0 0 "[ . 1 .]" 3
199 1 101 VAL H 1 101 VAL HB 3.000 . 3.300 2.673 2.491 3.017 . 0 0 "[ . 1 .]" 3
200 1 101 VAL H 1 101 VAL MG2 3.000 . 3.300 2.664 2.553 2.761 . 0 0 "[ . 1 .]" 3
201 1 101 VAL HA 1 101 VAL MG1 3.000 . 3.300 2.384 2.184 2.505 . 0 0 "[ . 1 .]" 3
202 1 101 VAL HA 1 101 VAL MG2 3.000 . 3.300 2.449 2.271 2.642 . 0 0 "[ . 1 .]" 3
203 1 103 LEU H 1 103 LEU QB 3.000 . 3.300 2.582 2.151 3.034 . 0 0 "[ . 1 .]" 3
204 1 103 LEU H 1 103 LEU HG 4.000 . 4.300 3.249 1.884 4.336 0.036 12 0 "[ . 1 .]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 8
_Distance_constraint_stats_list.Viol_total 3.209
_Distance_constraint_stats_list.Viol_max 0.081
_Distance_constraint_stats_list.Viol_rms 0.0111
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0267
_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 39 CYS 0.008 0.008 8 0 "[ . 1 .]"
1 45 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 48 CYS 0.205 0.081 5 0 "[ . 1 .]"
1 86 CYS 0.214 0.081 5 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 39 CYS CA 1 45 CYS CA 6.000 5.300 6.700 5.799 5.331 6.241 . 0 0 "[ . 1 .]" 4
2 1 45 CYS CA 1 48 CYS CA 7.700 7.000 8.400 7.451 7.249 7.701 . 0 0 "[ . 1 .]" 4
3 1 48 CYS CA 1 86 CYS CA 6.300 5.600 7.000 6.950 6.699 7.081 0.081 5 0 "[ . 1 .]" 4
4 1 39 CYS CA 1 86 CYS CA 9.600 8.900 10.300 9.380 8.892 9.773 0.008 8 0 "[ . 1 .]" 4
5 1 39 CYS CA 1 48 CYS CA 8.900 8.200 9.600 9.158 8.728 9.510 . 0 0 "[ . 1 .]" 4
6 1 45 CYS CA 1 86 CYS CA 10.100 9.400 10.800 10.018 9.711 10.288 . 0 0 "[ . 1 .]" 4
stop_
save_
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