NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
372546 |
1d9s   |
4701 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1d9s
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 561
_Distance_constraint_stats_list.Viol_count 460
_Distance_constraint_stats_list.Viol_total 273.160
_Distance_constraint_stats_list.Viol_max 0.490
_Distance_constraint_stats_list.Viol_rms 0.0245
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.0594
_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 12 SER 1.133 0.490 1 0 "[ . 1]"
1 13 ASP 0.329 0.194 1 0 "[ . 1]"
1 15 GLY 0.000 0.000 . 0 "[ . 1]"
1 17 ALA 0.004 0.004 6 0 "[ . 1]"
1 18 THR 0.000 0.000 . 0 "[ . 1]"
1 19 ALA 0.207 0.076 8 0 "[ . 1]"
1 20 ALA 0.000 0.000 . 0 "[ . 1]"
1 21 ALA 0.153 0.051 4 0 "[ . 1]"
1 22 ARG 0.058 0.031 1 0 "[ . 1]"
1 23 GLY 0.000 0.000 . 0 "[ . 1]"
1 24 GLN 0.187 0.041 1 0 "[ . 1]"
1 25 VAL 3.282 0.234 7 0 "[ . 1]"
1 26 GLU 0.000 0.000 . 0 "[ . 1]"
1 27 THR 0.328 0.076 8 0 "[ . 1]"
1 28 VAL 0.131 0.058 1 0 "[ . 1]"
1 29 ARG 0.000 0.000 . 0 "[ . 1]"
1 30 GLN 0.000 0.000 . 0 "[ . 1]"
1 31 LEU 1.256 0.490 1 0 "[ . 1]"
1 32 LEU 0.173 0.034 5 0 "[ . 1]"
1 33 GLU 0.113 0.046 4 0 "[ . 1]"
1 34 ALA 0.000 0.000 . 0 "[ . 1]"
1 35 GLY 2.435 0.221 1 0 "[ . 1]"
1 36 ALA 0.237 0.084 1 0 "[ . 1]"
1 37 ASP 0.409 0.231 9 0 "[ . 1]"
1 38 PRO 0.028 0.019 3 0 "[ . 1]"
1 39 ASN 0.096 0.030 1 0 "[ . 1]"
1 40 ALA 0.807 0.231 9 0 "[ . 1]"
1 41 LEU 0.173 0.062 6 0 "[ . 1]"
1 42 ASN 0.004 0.004 6 0 "[ . 1]"
1 44 PHE 0.000 0.000 . 0 "[ . 1]"
1 45 GLY 1.033 0.102 2 0 "[ . 1]"
1 46 ARG 0.000 0.000 . 0 "[ . 1]"
1 48 PRO 0.000 0.000 . 0 "[ . 1]"
1 49 ILE 0.359 0.063 2 0 "[ . 1]"
1 50 GLN 0.000 0.000 . 0 "[ . 1]"
1 51 VAL 0.153 0.051 4 0 "[ . 1]"
1 52 MET 0.441 0.062 3 0 "[ . 1]"
1 53 MET 0.000 0.000 . 0 "[ . 1]"
1 54 MET 0.350 0.068 8 0 "[ . 1]"
1 55 GLY 0.000 0.000 . 0 "[ . 1]"
1 56 SER 0.336 0.056 8 0 "[ . 1]"
1 57 ALA 0.099 0.049 6 0 "[ . 1]"
1 58 GLN 3.132 0.234 7 0 "[ . 1]"
1 59 VAL 0.428 0.056 8 0 "[ . 1]"
1 60 ALA 0.638 0.220 3 0 "[ . 1]"
1 61 GLU 0.018 0.018 3 0 "[ . 1]"
1 62 LEU 0.000 0.000 . 0 "[ . 1]"
1 63 LEU 0.028 0.019 3 0 "[ . 1]"
1 64 LEU 0.000 0.000 . 0 "[ . 1]"
1 65 LEU 0.000 0.000 . 0 "[ . 1]"
1 66 HIS 0.165 0.046 4 0 "[ . 1]"
1 67 GLY 2.264 0.251 6 0 "[ . 1]"
1 68 ALA 0.000 0.000 . 0 "[ . 1]"
1 69 GLU 0.320 0.046 4 0 "[ . 1]"
1 70 PRO 0.320 0.046 4 0 "[ . 1]"
1 71 ASN 0.000 0.000 . 0 "[ . 1]"
1 72 CYS 2.767 0.189 8 0 "[ . 1]"
1 73 ALA 0.014 0.014 7 0 "[ . 1]"
1 74 ASP 0.445 0.080 8 0 "[ . 1]"
1 75 PRO 0.000 0.000 . 0 "[ . 1]"
1 76 ALA 0.000 0.000 . 0 "[ . 1]"
1 77 THR 0.053 0.028 7 0 "[ . 1]"
1 78 LEU 0.722 0.091 1 0 "[ . 1]"
1 79 THR 0.758 0.080 8 0 "[ . 1]"
1 80 ARG 0.749 0.147 4 0 "[ . 1]"
1 81 PRO 0.246 0.068 8 0 "[ . 1]"
1 82 VAL 0.000 0.000 . 0 "[ . 1]"
1 83 HIS 0.020 0.020 6 0 "[ . 1]"
1 84 ASP 0.000 0.000 . 0 "[ . 1]"
1 85 ALA 0.292 0.060 9 0 "[ . 1]"
1 86 ALA 0.080 0.046 6 0 "[ . 1]"
1 87 ARG 0.000 0.000 . 0 "[ . 1]"
1 88 GLU 0.000 0.000 . 0 "[ . 1]"
1 89 GLY 0.099 0.031 8 0 "[ . 1]"
1 90 PHE 0.000 0.000 . 0 "[ . 1]"
1 91 LEU 0.249 0.081 6 0 "[ . 1]"
1 92 ASP 0.093 0.026 6 0 "[ . 1]"
1 93 THR 0.597 0.220 3 0 "[ . 1]"
1 94 LEU 0.000 0.000 . 0 "[ . 1]"
1 95 VAL 0.236 0.040 7 0 "[ . 1]"
1 96 VAL 1.111 0.117 4 0 "[ . 1]"
1 97 LEU 0.023 0.023 2 0 "[ . 1]"
1 98 HIS 0.087 0.029 6 0 "[ . 1]"
1 99 ARG 0.153 0.040 7 0 "[ . 1]"
1 100 ALA 2.113 0.264 9 0 "[ . 1]"
1 101 GLY 0.044 0.015 9 0 "[ . 1]"
1 102 ALA 0.044 0.015 9 0 "[ . 1]"
1 103 ARG 0.332 0.072 4 0 "[ . 1]"
1 104 LEU 0.102 0.029 3 0 "[ . 1]"
1 105 ASP 0.033 0.033 5 0 "[ . 1]"
1 106 VAL 1.211 0.147 4 0 "[ . 1]"
1 107 CYS 0.319 0.079 2 0 "[ . 1]"
1 108 ASP 0.390 0.091 1 0 "[ . 1]"
1 109 ALA 0.611 0.090 1 0 "[ . 1]"
1 110 TRP 0.053 0.028 7 0 "[ . 1]"
1 111 GLY 0.277 0.079 2 0 "[ . 1]"
1 112 ARG 0.000 0.000 . 0 "[ . 1]"
1 113 LEU 0.042 0.042 5 0 "[ . 1]"
1 114 PRO 0.000 0.000 . 0 "[ . 1]"
1 115 VAL 0.031 0.022 1 0 "[ . 1]"
1 116 ASP 0.000 0.000 . 0 "[ . 1]"
1 117 LEU 0.000 0.000 . 0 "[ . 1]"
1 118 ALA 0.071 0.071 9 0 "[ . 1]"
1 119 GLU 1.183 0.106 8 0 "[ . 1]"
1 120 GLU 0.000 0.000 . 0 "[ . 1]"
1 121 GLN 0.095 0.071 9 0 "[ . 1]"
1 122 GLY 0.025 0.025 9 0 "[ . 1]"
1 123 HIS 0.537 0.081 6 0 "[ . 1]"
1 124 ARG 0.000 0.000 . 0 "[ . 1]"
1 125 ASP 0.026 0.026 8 0 "[ . 1]"
1 126 ILE 0.601 0.066 7 0 "[ . 1]"
1 127 ALA 0.349 0.184 3 0 "[ . 1]"
1 128 ARG 0.210 0.184 3 0 "[ . 1]"
1 129 TYR 0.043 0.018 5 0 "[ . 1]"
1 130 LEU 0.000 0.000 . 0 "[ . 1]"
1 131 HIS 0.000 0.000 . 0 "[ . 1]"
1 132 ALA 0.003 0.003 7 0 "[ . 1]"
1 133 ALA 0.000 0.000 . 0 "[ . 1]"
1 134 THR 0.167 0.045 9 0 "[ . 1]"
1 135 GLY 0.115 0.045 9 0 "[ . 1]"
1 136 ASP 1.280 0.224 6 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 12 SER HB2 1 31 LEU CG 3.000 . 5.700 5.656 4.963 6.190 0.490 1 0 "[ . 1]" 1
2 1 12 SER HB3 1 31 LEU CG 3.000 . 5.700 5.372 3.388 6.149 0.449 1 0 "[ . 1]" 1
3 1 13 ASP HA 1 40 ALA CB 3.000 . 4.700 4.593 4.341 4.894 0.194 1 0 "[ . 1]" 1
4 1 13 ASP HB2 1 40 ALA CB 3.000 . 5.200 4.402 3.254 5.290 0.090 3 0 "[ . 1]" 1
5 1 13 ASP HB3 1 40 ALA CB 3.000 . 5.200 3.781 2.501 5.136 . 0 0 "[ . 1]" 1
6 1 15 GLY CA 1 31 LEU CD1 4.000 . 7.000 3.802 3.247 4.725 . 0 0 "[ . 1]" 1
7 1 15 GLY CA 1 31 LEU CD2 4.000 . 7.000 5.212 4.195 5.917 . 0 0 "[ . 1]" 1
8 1 17 ALA CB 1 42 ASN HA 5.000 . 7.000 5.686 4.355 7.004 0.004 6 0 "[ . 1]" 1
9 1 17 ALA CB 1 42 ASN CB 4.000 . 7.000 4.596 3.543 5.376 . 0 0 "[ . 1]" 1
10 1 17 ALA HA 1 48 PRO HA 5.000 . 6.000 3.404 2.968 3.763 . 0 0 "[ . 1]" 1
11 1 17 ALA CB 1 48 PRO HA 3.000 . 4.700 3.296 2.925 3.699 . 0 0 "[ . 1]" 1
12 1 17 ALA HA 1 51 VAL CG1 3.000 . 4.700 3.804 3.490 4.346 . 0 0 "[ . 1]" 1
13 1 17 ALA CB 1 51 VAL CG1 2.500 . 4.700 3.761 3.430 4.215 . 0 0 "[ . 1]" 1
14 1 19 ALA CB 1 27 THR HA 4.000 . 6.000 5.699 5.286 6.076 0.076 8 0 "[ . 1]" 1
15 1 19 ALA CB 1 27 THR HB 3.000 . 4.700 3.045 2.360 3.408 . 0 0 "[ . 1]" 1
16 1 19 ALA CB 1 28 VAL HA 4.000 . 6.500 4.438 3.767 4.904 . 0 0 "[ . 1]" 1
17 1 19 ALA H 1 28 VAL CB 3.000 . 6.200 6.209 6.160 6.258 0.058 1 0 "[ . 1]" 1
18 1 20 ALA CB 1 52 MET HA 4.000 . 6.000 3.068 2.644 3.312 . 0 0 "[ . 1]" 1
19 1 21 ALA CB 1 51 VAL HA 4.000 . 5.200 5.172 4.996 5.251 0.051 4 0 "[ . 1]" 1
20 1 21 ALA H 1 51 VAL CG1 4.000 . 6.000 5.066 4.752 5.362 . 0 0 "[ . 1]" 1
21 1 21 ALA HA 1 52 MET HA 3.000 . 3.700 2.325 1.915 2.879 . 0 0 "[ . 1]" 1
22 1 21 ALA CB 1 52 MET HA 4.000 . 6.500 3.653 3.235 4.123 . 0 0 "[ . 1]" 1
23 1 21 ALA CB 1 53 MET H 4.000 . 6.000 4.372 3.896 5.010 . 0 0 "[ . 1]" 1
24 1 23 GLY HA2 1 53 MET CE 4.000 . 6.500 3.565 2.826 3.979 . 0 0 "[ . 1]" 1
25 1 23 GLY HA3 1 53 MET CE 4.000 . 6.500 3.146 2.478 3.767 . 0 0 "[ . 1]" 1
26 1 23 GLY H 1 59 VAL CB 5.000 . 8.000 6.473 5.804 6.957 . 0 0 "[ . 1]" 1
27 1 23 GLY HA2 1 59 VAL CG2 4.000 . 7.000 4.418 3.305 5.000 . 0 0 "[ . 1]" 1
28 1 23 GLY HA3 1 59 VAL CG2 4.000 . 7.000 6.066 4.863 6.738 . 0 0 "[ . 1]" 1
29 1 25 VAL CG1 1 58 GLN H 5.000 . 7.000 5.616 5.010 6.186 . 0 0 "[ . 1]" 1
30 1 25 VAL CG2 1 58 GLN H 4.000 . 6.000 4.473 3.950 5.011 . 0 0 "[ . 1]" 1
31 1 25 VAL CG1 1 58 GLN HE21 5.000 . 7.000 5.152 3.657 6.495 . 0 0 "[ . 1]" 1
32 1 25 VAL CG2 1 58 GLN HE21 5.000 . 7.000 5.192 2.969 6.568 . 0 0 "[ . 1]" 1
33 1 25 VAL CG1 1 58 GLN HE22 5.000 . 7.000 5.740 3.481 7.055 0.055 2 0 "[ . 1]" 1
34 1 25 VAL CG2 1 58 GLN HE22 5.000 . 7.000 5.977 3.815 7.028 0.028 4 0 "[ . 1]" 1
35 1 25 VAL CG1 1 58 GLN HA 3.000 . 4.700 4.705 4.474 4.785 0.085 1 0 "[ . 1]" 1
36 1 25 VAL CG2 1 58 GLN HA 3.000 . 4.700 4.867 4.784 4.934 0.234 7 0 "[ . 1]" 1
37 1 25 VAL CG1 1 58 GLN CB 3.000 . 6.700 3.330 2.911 3.918 . 0 0 "[ . 1]" 1
38 1 25 VAL CG2 1 58 GLN CB 3.000 . 6.700 3.040 2.914 3.267 . 0 0 "[ . 1]" 1
39 1 25 VAL CG1 1 58 GLN HG2 3.000 . 4.700 3.807 2.453 4.874 0.174 7 0 "[ . 1]" 1
40 1 25 VAL CG2 1 58 GLN HG2 3.000 . 4.700 4.021 2.828 4.808 0.108 8 0 "[ . 1]" 1
41 1 25 VAL CG1 1 58 GLN HG3 3.000 . 4.700 3.874 2.435 4.821 0.121 8 0 "[ . 1]" 1
42 1 25 VAL CG2 1 58 GLN HG3 3.000 . 4.700 4.124 3.096 4.769 0.069 10 0 "[ . 1]" 1
43 1 25 VAL HA 1 59 VAL CG1 3.000 . 4.700 4.634 4.162 4.750 0.050 6 0 "[ . 1]" 1
44 1 25 VAL HA 1 59 VAL CG2 3.000 . 4.700 3.458 2.941 4.652 . 0 0 "[ . 1]" 1
45 1 25 VAL CG1 1 59 VAL HA 4.000 . 6.500 4.662 4.004 5.225 . 0 0 "[ . 1]" 1
46 1 25 VAL CG1 1 59 VAL H 4.000 . 6.500 5.067 4.949 5.515 . 0 0 "[ . 1]" 1
47 1 29 ARG HA 1 62 LEU CD1 4.000 . 6.000 2.796 2.400 3.324 . 0 0 "[ . 1]" 1
48 1 29 ARG HA 1 62 LEU CD2 4.000 . 6.000 3.341 2.464 4.381 . 0 0 "[ . 1]" 1
49 1 32 LEU CD1 1 66 HIS HA 5.000 . 7.000 6.260 5.502 6.898 . 0 0 "[ . 1]" 1
50 1 32 LEU CD2 1 66 HIS HA 5.000 . 7.000 6.214 5.506 7.032 0.032 3 0 "[ . 1]" 1
51 1 32 LEU CD1 1 66 HIS HB2 4.000 . 6.000 4.173 3.741 4.782 . 0 0 "[ . 1]" 1
52 1 32 LEU CD1 1 66 HIS HB3 4.000 . 6.000 4.413 3.557 5.283 . 0 0 "[ . 1]" 1
53 1 32 LEU CD2 1 66 HIS HB2 4.000 . 6.000 4.103 3.126 5.171 . 0 0 "[ . 1]" 1
54 1 32 LEU CD2 1 66 HIS HB3 4.000 . 6.000 3.994 3.241 4.954 . 0 0 "[ . 1]" 1
55 1 32 LEU CG 1 66 HIS HB2 3.000 . 5.700 4.472 4.203 5.038 . 0 0 "[ . 1]" 1
56 1 32 LEU CG 1 66 HIS HB3 3.000 . 5.700 4.584 4.205 5.057 . 0 0 "[ . 1]" 1
57 1 33 GLU HA 1 66 HIS HE1 4.000 . 5.000 3.245 1.937 4.987 . 0 0 "[ . 1]" 1
58 1 33 GLU CB 1 66 HIS HE1 5.000 . 7.000 4.242 2.993 5.367 . 0 0 "[ . 1]" 1
59 1 33 GLU HG2 1 66 HIS HE1 4.000 . 5.000 4.262 3.395 5.009 0.009 5 0 "[ . 1]" 1
60 1 33 GLU HG3 1 66 HIS HE1 4.000 . 5.000 4.375 2.982 5.046 0.046 4 0 "[ . 1]" 1
61 1 38 PRO HA 1 63 LEU CG 3.000 . 5.700 5.457 4.845 5.719 0.019 3 0 "[ . 1]" 1
62 1 49 ILE CG2 1 60 ALA H 4.000 . 6.500 5.998 5.600 6.563 0.063 2 0 "[ . 1]" 1
63 1 49 ILE CD1 1 60 ALA HA 4.000 . 6.500 3.477 2.736 3.944 . 0 0 "[ . 1]" 1
64 1 49 ILE CD1 1 60 ALA CB 4.000 . 8.000 5.014 4.339 5.427 . 0 0 "[ . 1]" 1
65 1 49 ILE HA 1 63 LEU CG 4.000 . 7.000 5.271 4.635 5.672 . 0 0 "[ . 1]" 1
66 1 49 ILE CD1 1 68 ALA CB 2.500 . 5.700 3.524 3.233 4.122 . 0 0 "[ . 1]" 1
67 1 49 ILE CD1 1 70 PRO HA 4.000 . 6.000 4.838 4.397 5.486 . 0 0 "[ . 1]" 1
68 1 49 ILE CG2 1 70 PRO HA 4.000 . 6.000 5.319 4.593 5.656 . 0 0 "[ . 1]" 1
69 1 49 ILE CG2 1 81 PRO HA 5.000 . 7.000 5.690 5.301 6.115 . 0 0 "[ . 1]" 1
70 1 49 ILE CD1 1 97 LEU CG 3.000 . 6.700 5.617 5.089 6.723 0.023 2 0 "[ . 1]" 1
71 1 52 MET CE 1 60 ALA HA 5.000 . 7.000 3.636 3.214 3.935 . 0 0 "[ . 1]" 1
72 1 52 MET CE 1 60 ALA H 4.000 . 6.000 3.902 3.578 4.373 . 0 0 "[ . 1]" 1
73 1 52 MET CE 1 85 ALA CB 3.000 . 5.700 5.704 5.577 5.760 0.060 9 0 "[ . 1]" 1
74 1 52 MET CE 1 93 THR HA 5.000 . 7.000 5.521 4.992 6.148 . 0 0 "[ . 1]" 1
75 1 52 MET CE 1 93 THR CG2 2.500 . 5.700 3.484 2.998 3.835 . 0 0 "[ . 1]" 1
76 1 52 MET CE 1 97 LEU CG 4.000 . 8.000 7.296 6.698 7.563 . 0 0 "[ . 1]" 1
77 1 54 MET CE 1 60 ALA HA 5.000 . 7.000 6.629 6.079 7.005 0.005 9 0 "[ . 1]" 1
78 1 54 MET CE 1 81 PRO HA 3.000 . 4.700 4.698 4.430 4.768 0.068 8 0 "[ . 1]" 1
79 1 54 MET CE 1 84 ASP CB 4.000 . 6.000 3.262 2.996 3.505 . 0 0 "[ . 1]" 1
80 1 54 MET CE 1 85 ALA HA 4.000 . 6.000 4.056 3.512 4.454 . 0 0 "[ . 1]" 1
81 1 54 MET CE 1 85 ALA CB 3.000 . 5.700 4.483 3.789 4.791 . 0 0 "[ . 1]" 1
82 1 54 MET CE 1 93 THR CG2 4.000 . 7.500 5.157 4.756 5.629 . 0 0 "[ . 1]" 1
83 1 54 MET CE 1 97 LEU CG 4.000 . 8.000 7.483 7.078 7.849 . 0 0 "[ . 1]" 1
84 1 57 ALA CB 1 92 ASP H 5.000 . 7.000 5.482 5.178 5.822 . 0 0 "[ . 1]" 1
85 1 57 ALA CB 1 92 ASP HA 3.000 . 5.200 5.047 4.703 5.210 0.010 9 0 "[ . 1]" 1
86 1 57 ALA CB 1 92 ASP HB2 3.000 . 5.200 3.667 2.535 4.302 . 0 0 "[ . 1]" 1
87 1 57 ALA CB 1 92 ASP HB3 3.000 . 5.200 2.826 2.478 4.092 . 0 0 "[ . 1]" 1
88 1 57 ALA CB 1 93 THR H 4.000 . 6.000 4.256 3.688 4.959 . 0 0 "[ . 1]" 1
89 1 57 ALA CB 1 93 THR HA 3.000 . 5.200 4.359 3.922 4.844 . 0 0 "[ . 1]" 1
90 1 57 ALA HA 1 96 VAL CG2 4.000 . 6.500 5.251 5.067 5.657 . 0 0 "[ . 1]" 1
91 1 57 ALA HA 1 96 VAL CG1 4.000 . 6.500 6.367 6.114 6.549 0.049 6 0 "[ . 1]" 1
92 1 60 ALA CB 1 93 THR CG2 2.500 . 4.700 3.142 2.872 3.431 . 0 0 "[ . 1]" 1
93 1 60 ALA CB 1 93 THR HA 4.000 . 6.000 3.411 2.962 3.776 . 0 0 "[ . 1]" 1
94 1 60 ALA CB 1 93 THR HB 3.000 . 4.700 4.757 4.701 4.920 0.220 3 0 "[ . 1]" 1
95 1 60 ALA CB 1 96 VAL HB 4.000 . 6.000 4.196 3.911 4.779 . 0 0 "[ . 1]" 1
96 1 60 ALA CB 1 96 VAL CG1 3.000 . 6.200 4.644 4.309 5.433 . 0 0 "[ . 1]" 1
97 1 60 ALA CB 1 96 VAL CG2 3.000 . 6.200 4.964 4.245 6.015 . 0 0 "[ . 1]" 1
98 1 61 GLU HA 1 96 VAL CG1 3.000 . 5.200 2.561 2.462 2.771 . 0 0 "[ . 1]" 1
99 1 61 GLU HA 1 96 VAL CG2 4.000 . 6.000 3.962 3.788 4.141 . 0 0 "[ . 1]" 1
100 1 61 GLU CB 1 96 VAL CG1 3.000 . 6.200 4.125 3.733 4.558 . 0 0 "[ . 1]" 1
101 1 61 GLU HB2 1 96 VAL CG1 4.000 . 6.000 4.084 3.454 4.726 . 0 0 "[ . 1]" 1
102 1 61 GLU HB2 1 96 VAL CG2 4.000 . 6.000 3.839 3.271 4.581 . 0 0 "[ . 1]" 1
103 1 61 GLU CB 1 96 VAL CG2 3.000 . 6.200 4.337 4.003 4.859 . 0 0 "[ . 1]" 1
104 1 61 GLU HB3 1 96 VAL CG1 4.000 . 6.000 4.982 3.248 5.563 . 0 0 "[ . 1]" 1
105 1 61 GLU HB3 1 96 VAL CG2 4.000 . 6.000 5.106 3.000 5.922 . 0 0 "[ . 1]" 1
106 1 61 GLU CG 1 96 VAL CG1 3.000 . 6.200 4.316 3.677 5.122 . 0 0 "[ . 1]" 1
107 1 61 GLU HG2 1 96 VAL CG1 4.000 . 6.000 4.410 2.760 5.478 . 0 0 "[ . 1]" 1
108 1 61 GLU HG2 1 96 VAL CG2 4.000 . 6.000 4.811 3.140 5.843 . 0 0 "[ . 1]" 1
109 1 61 GLU CG 1 96 VAL CG2 3.000 . 6.200 4.448 3.533 5.068 . 0 0 "[ . 1]" 1
110 1 61 GLU HG3 1 96 VAL CG1 4.000 . 6.000 4.172 3.027 5.790 . 0 0 "[ . 1]" 1
111 1 61 GLU HG3 1 96 VAL CG2 4.000 . 6.000 4.208 2.969 6.018 0.018 3 0 "[ . 1]" 1
112 1 61 GLU HA 1 100 ALA CB 5.000 . 7.500 6.791 6.150 7.430 . 0 0 "[ . 1]" 1
113 1 64 LEU CG 1 100 ALA HA 4.000 . 7.500 5.398 4.613 6.270 . 0 0 "[ . 1]" 1
114 1 70 PRO HA 1 81 PRO CG 3.000 . 4.700 2.918 2.774 3.164 . 0 0 "[ . 1]" 1
115 1 70 PRO HA 1 102 ALA HA 5.000 . 6.000 5.360 4.764 5.723 . 0 0 "[ . 1]" 1
116 1 70 PRO HA 1 102 ALA CB 4.000 . 6.500 5.277 4.841 5.759 . 0 0 "[ . 1]" 1
117 1 70 PRO CG 1 102 ALA HA 4.000 . 6.000 4.266 3.796 4.648 . 0 0 "[ . 1]" 1
118 1 73 ALA HA 1 80 ARG HA 5.000 . 6.000 2.801 2.141 3.715 . 0 0 "[ . 1]" 1
119 1 73 ALA CB 1 80 ARG HA 4.000 . 6.500 2.807 2.496 3.231 . 0 0 "[ . 1]" 1
120 1 73 ALA CB 1 80 ARG CD 4.000 . 7.500 4.379 3.400 5.768 . 0 0 "[ . 1]" 1
121 1 77 THR HA 1 109 ALA CB 2.500 . 4.700 2.855 2.559 3.133 . 0 0 "[ . 1]" 1
122 1 77 THR HB 1 109 ALA CB 4.000 . 6.500 4.079 2.814 4.826 . 0 0 "[ . 1]" 1
123 1 77 THR CG2 1 109 ALA CB 4.000 . 7.500 3.981 3.326 5.019 . 0 0 "[ . 1]" 1
124 1 77 THR CG2 1 110 TRP HE3 4.000 . 6.500 5.990 5.112 6.528 0.028 7 0 "[ . 1]" 1
125 1 77 THR CG2 1 110 TRP HH2 4.000 . 6.500 4.319 3.160 5.868 . 0 0 "[ . 1]" 1
126 1 77 THR CG2 1 110 TRP HZ3 4.000 . 6.500 5.092 3.650 5.778 . 0 0 "[ . 1]" 1
127 1 78 LEU CD1 1 108 ASP HA 4.000 . 6.500 6.372 6.156 6.579 0.079 8 0 "[ . 1]" 1
128 1 78 LEU CD2 1 108 ASP HA 4.000 . 6.500 6.231 5.484 6.591 0.091 1 0 "[ . 1]" 1
129 1 78 LEU CB 1 109 ALA CB 4.000 . 7.000 3.957 3.633 4.541 . 0 0 "[ . 1]" 1
130 1 78 LEU CG 1 109 ALA HA 3.000 . 5.700 3.461 3.256 3.761 . 0 0 "[ . 1]" 1
131 1 78 LEU CD1 1 109 ALA HA 3.000 . 4.700 3.117 2.751 3.386 . 0 0 "[ . 1]" 1
132 1 78 LEU CD2 1 109 ALA HA 3.000 . 4.700 4.713 4.557 4.790 0.090 1 0 "[ . 1]" 1
133 1 78 LEU CG 1 109 ALA CB 3.000 . 6.700 4.883 3.949 5.336 . 0 0 "[ . 1]" 1
134 1 78 LEU HG 1 109 ALA HA 5.000 . 6.000 3.857 2.936 4.524 . 0 0 "[ . 1]" 1
135 1 78 LEU HG 1 109 ALA CB 4.000 . 6.000 5.003 3.106 5.845 . 0 0 "[ . 1]" 1
136 1 79 THR HA 1 106 VAL CG2 5.000 . 7.000 5.269 4.660 5.969 . 0 0 "[ . 1]" 1
137 1 79 THR CG2 1 108 ASP HA 4.000 . 6.000 3.491 2.815 4.127 . 0 0 "[ . 1]" 1
138 1 79 THR CG2 1 109 ALA HA 5.000 . 7.000 7.029 7.015 7.052 0.052 5 0 "[ . 1]" 1
139 1 80 ARG HA 1 106 VAL HB 5.000 . 6.000 6.075 6.022 6.147 0.147 4 0 "[ . 1]" 1
140 1 80 ARG HA 1 106 VAL CG1 5.000 . 8.000 5.213 5.000 5.440 . 0 0 "[ . 1]" 1
141 1 80 ARG CD 1 106 VAL HB 5.000 . 7.000 3.473 3.111 3.916 . 0 0 "[ . 1]" 1
142 1 80 ARG CD 1 106 VAL CG2 3.000 . 5.700 4.180 3.142 5.403 . 0 0 "[ . 1]" 1
143 1 82 VAL H 1 97 LEU CG 4.000 . 7.000 5.996 5.476 6.375 . 0 0 "[ . 1]" 1
144 1 82 VAL HA 1 97 LEU CG 4.000 . 7.000 5.124 4.843 5.501 . 0 0 "[ . 1]" 1
145 1 83 HIS HE1 1 106 VAL CG2 4.000 . 6.000 4.063 3.552 5.115 . 0 0 "[ . 1]" 1
146 1 83 HIS HA 1 114 PRO HA 4.000 . 5.000 2.945 2.443 3.459 . 0 0 "[ . 1]" 1
147 1 83 HIS HA 1 117 LEU CG 4.000 . 7.000 5.464 4.382 5.966 . 0 0 "[ . 1]" 1
148 1 83 HIS CB 1 117 LEU CG 4.000 . 8.000 5.965 5.302 6.307 . 0 0 "[ . 1]" 1
149 1 83 HIS HD2 1 117 LEU CG 3.000 . 6.200 4.394 3.895 5.007 . 0 0 "[ . 1]" 1
150 1 85 ALA CB 1 93 THR H 4.000 . 6.000 5.709 5.240 6.014 0.014 9 0 "[ . 1]" 1
151 1 86 ALA H 1 94 LEU CG 3.000 . 7.200 5.751 5.011 6.288 . 0 0 "[ . 1]" 1
152 1 86 ALA HA 1 126 ILE CD1 3.000 . 4.700 2.636 2.454 3.342 . 0 0 "[ . 1]" 1
153 1 86 ALA CB 1 126 ILE CD1 2.500 . 4.700 4.445 3.783 4.746 0.046 6 0 "[ . 1]" 1
154 1 89 GLY H 1 126 ILE CD1 4.000 . 6.500 3.961 3.510 4.723 . 0 0 "[ . 1]" 1
155 1 89 GLY HA2 1 126 ILE CD1 3.000 . 4.700 3.048 2.898 3.241 . 0 0 "[ . 1]" 1
156 1 89 GLY HA3 1 126 ILE CD1 3.000 . 4.700 4.663 4.500 4.731 0.031 8 0 "[ . 1]" 1
157 1 90 PHE H 1 126 ILE CD1 3.000 . 4.700 3.318 2.606 4.243 . 0 0 "[ . 1]" 1
158 1 91 LEU CG 1 123 HIS HA 5.000 . 8.000 8.000 7.768 8.081 0.081 6 0 "[ . 1]" 1
159 1 91 LEU CG 1 125 ASP CB 3.000 . 6.700 4.761 4.352 5.260 . 0 0 "[ . 1]" 1
160 1 91 LEU H 1 126 ILE CD1 4.000 . 6.500 4.362 3.632 5.444 . 0 0 "[ . 1]" 1
161 1 91 LEU HA 1 126 ILE CD1 4.000 . 6.500 3.593 2.948 4.687 . 0 0 "[ . 1]" 1
162 1 91 LEU CG 1 126 ILE CD1 3.000 . 6.700 4.731 3.967 5.490 . 0 0 "[ . 1]" 1
163 1 91 LEU CG 1 126 ILE HA 3.000 . 5.700 3.167 2.517 4.073 . 0 0 "[ . 1]" 1
164 1 91 LEU CG 1 126 ILE H 4.000 . 7.000 4.755 4.306 5.265 . 0 0 "[ . 1]" 1
165 1 91 LEU CB 1 126 ILE CD1 4.000 . 7.000 4.971 3.940 6.013 . 0 0 "[ . 1]" 1
166 1 91 LEU CD1 1 129 TYR CB 3.000 . 6.200 4.432 3.525 5.299 . 0 0 "[ . 1]" 1
167 1 91 LEU CD2 1 129 TYR CB 3.000 . 6.200 4.112 3.164 5.657 . 0 0 "[ . 1]" 1
168 1 91 LEU CG 1 129 TYR CG 4.000 . 9.000 5.085 4.705 5.467 . 0 0 "[ . 1]" 1
169 1 91 LEU CD1 1 129 TYR CZ 4.000 . 9.000 6.002 3.847 7.773 . 0 0 "[ . 1]" 1
170 1 91 LEU CD2 1 129 TYR CZ 4.000 . 9.000 5.661 3.930 7.913 . 0 0 "[ . 1]" 1
171 1 94 LEU CG 1 104 LEU CD1 4.000 . 8.000 6.663 4.721 7.964 . 0 0 "[ . 1]" 1
172 1 94 LEU CG 1 104 LEU CD2 4.000 . 8.000 5.321 4.386 6.072 . 0 0 "[ . 1]" 1
173 1 94 LEU CG 1 129 TYR HB2 4.000 . 7.500 6.522 5.116 7.400 . 0 0 "[ . 1]" 1
174 1 94 LEU CG 1 129 TYR HB3 4.000 . 7.500 5.092 3.737 5.917 . 0 0 "[ . 1]" 1
175 1 94 LEU CG 1 129 TYR CG 4.000 . 8.700 5.677 4.887 6.562 . 0 0 "[ . 1]" 1
176 1 94 LEU CG 1 129 TYR CZ 4.000 . 8.700 5.945 4.561 7.050 . 0 0 "[ . 1]" 1
177 1 95 VAL CG1 1 129 TYR CZ 4.000 . 8.500 5.536 4.759 6.622 . 0 0 "[ . 1]" 1
178 1 95 VAL CG2 1 129 TYR CZ 4.000 . 8.500 4.252 3.692 5.398 . 0 0 "[ . 1]" 1
179 1 95 VAL CG1 1 129 TYR CG 5.000 . 9.500 7.246 6.472 7.900 . 0 0 "[ . 1]" 1
180 1 95 VAL CG2 1 129 TYR CG 5.000 . 9.500 5.381 4.616 5.827 . 0 0 "[ . 1]" 1
181 1 98 HIS HA 1 102 ALA CB 3.000 . 4.700 3.721 3.086 4.660 . 0 0 "[ . 1]" 1
182 1 98 HIS HA 1 104 LEU CD1 4.000 . 6.500 4.186 3.658 5.190 . 0 0 "[ . 1]" 1
183 1 98 HIS HA 1 104 LEU CD2 4.000 . 6.500 5.593 3.979 6.488 . 0 0 "[ . 1]" 1
184 1 98 HIS CB 1 104 LEU CD1 5.000 . 8.000 4.450 3.607 5.524 . 0 0 "[ . 1]" 1
185 1 98 HIS CB 1 104 LEU CD2 5.000 . 8.000 5.274 3.756 6.528 . 0 0 "[ . 1]" 1
186 1 98 HIS HE1 1 104 LEU CG 4.000 . 7.000 6.221 4.606 7.011 0.011 3 0 "[ . 1]" 1
187 1 98 HIS HD2 1 104 LEU CD1 4.000 . 6.000 3.971 2.533 5.472 . 0 0 "[ . 1]" 1
188 1 98 HIS HD2 1 104 LEU CD2 4.000 . 6.000 5.610 4.664 6.029 0.029 6 0 "[ . 1]" 1
189 1 98 HIS HE1 1 129 TYR CZ 4.000 . 7.000 5.791 4.083 7.008 0.008 4 0 "[ . 1]" 1
190 1 98 HIS HE1 1 129 TYR CG 5.000 . 8.000 7.102 6.043 8.004 0.004 1 0 "[ . 1]" 1
191 1 98 HIS HD2 1 129 TYR CZ 5.000 . 8.000 7.334 6.041 8.018 0.018 5 0 "[ . 1]" 1
192 1 98 HIS HE1 1 133 ALA HA 4.000 . 7.000 3.685 2.928 4.663 . 0 0 "[ . 1]" 1
193 1 98 HIS HE1 1 133 ALA CB 2.500 . 4.200 3.569 2.940 4.196 . 0 0 "[ . 1]" 1
194 1 104 LEU CG 1 129 TYR CG 4.000 . 9.000 7.948 6.882 8.647 . 0 0 "[ . 1]" 1
195 1 104 LEU CG 1 129 TYR CZ 4.000 . 8.000 7.447 6.414 7.871 . 0 0 "[ . 1]" 1
196 1 104 LEU CD1 1 130 LEU HA 4.000 . 7.000 5.800 4.947 6.414 . 0 0 "[ . 1]" 1
197 1 104 LEU CD2 1 130 LEU HA 4.000 . 7.000 4.147 3.151 5.048 . 0 0 "[ . 1]" 1
198 1 104 LEU CD1 1 133 ALA CB 3.000 . 6.700 4.502 3.518 5.839 . 0 0 "[ . 1]" 1
199 1 104 LEU CD2 1 133 ALA CB 3.000 . 6.700 4.108 3.198 5.310 . 0 0 "[ . 1]" 1
200 1 104 LEU CG 1 134 THR HA 5.000 . 7.000 5.170 4.028 5.826 . 0 0 "[ . 1]" 1
201 1 104 LEU CG 1 134 THR HB 5.000 . 8.000 6.052 3.728 7.704 . 0 0 "[ . 1]" 1
202 1 104 LEU CD1 1 134 THR CG2 4.000 . 7.000 6.551 5.830 7.029 0.029 3 0 "[ . 1]" 1
203 1 104 LEU CD2 1 134 THR CG2 4.000 . 7.000 5.480 3.800 6.950 . 0 0 "[ . 1]" 1
204 1 105 ASP HA 1 113 LEU CG 3.000 . 5.700 5.133 4.075 5.693 . 0 0 "[ . 1]" 1
205 1 105 ASP HB2 1 113 LEU CG 5.000 . 8.000 7.046 5.630 7.978 . 0 0 "[ . 1]" 1
206 1 105 ASP HB3 1 113 LEU CG 5.000 . 8.000 7.338 5.964 7.977 . 0 0 "[ . 1]" 1
207 1 107 CYS HA 1 113 LEU CB 4.000 . 6.000 4.328 3.629 4.983 . 0 0 "[ . 1]" 1
208 1 107 CYS HA 1 113 LEU CD1 4.000 . 6.500 4.724 3.470 6.280 . 0 0 "[ . 1]" 1
209 1 107 CYS HA 1 113 LEU CD2 4.000 . 6.500 4.605 2.972 6.542 0.042 5 0 "[ . 1]" 1
210 1 115 VAL H 1 130 LEU CG 4.000 . 7.000 4.997 4.772 5.250 . 0 0 "[ . 1]" 1
211 1 115 VAL HA 1 130 LEU CG 4.000 . 7.000 3.578 3.152 3.947 . 0 0 "[ . 1]" 1
212 1 119 GLU HG2 1 127 ALA CB 3.000 . 4.700 3.334 2.536 4.351 . 0 0 "[ . 1]" 1
213 1 119 GLU HG3 1 127 ALA CB 3.000 . 4.700 3.703 2.674 4.716 0.016 3 0 "[ . 1]" 1
214 1 17 ALA H 1 18 THR H 4.000 . 5.000 2.598 2.480 2.799 . 0 0 "[ . 1]" 1
215 1 18 THR H 1 19 ALA H 3.000 . 4.700 2.863 2.766 2.938 . 0 0 "[ . 1]" 1
216 1 19 ALA H 1 20 ALA H 3.000 . 4.700 2.686 2.599 2.748 . 0 0 "[ . 1]" 1
217 1 21 ALA H 1 22 ARG H 4.000 . 5.000 2.616 2.393 2.715 . 0 0 "[ . 1]" 1
218 1 22 ARG H 1 23 GLY H 3.000 . 4.700 2.568 2.265 2.802 . 0 0 "[ . 1]" 1
219 1 23 GLY H 1 24 GLN H 4.000 . 5.000 2.660 2.031 3.300 . 0 0 "[ . 1]" 1
220 1 25 VAL H 1 26 GLU H 4.000 . 5.000 2.669 2.304 2.836 . 0 0 "[ . 1]" 1
221 1 26 GLU H 1 27 THR H 4.000 . 5.000 2.853 2.720 2.974 . 0 0 "[ . 1]" 1
222 1 27 THR H 1 28 VAL H 3.000 . 3.700 2.740 2.570 2.941 . 0 0 "[ . 1]" 1
223 1 33 GLU H 1 34 ALA H 3.000 . 3.700 2.717 2.603 2.896 . 0 0 "[ . 1]" 1
224 1 34 ALA H 1 35 GLY H 3.000 . 3.700 2.574 2.040 2.949 . 0 0 "[ . 1]" 1
225 1 35 GLY H 1 36 ALA H 2.500 . 2.700 2.113 1.795 2.784 0.084 1 0 "[ . 1]" 1
226 1 36 ALA H 1 37 ASP H 4.000 . 5.000 4.578 4.371 4.674 . 0 0 "[ . 1]" 1
227 1 39 ASN H 1 40 ALA H 2.500 . 2.700 2.652 2.228 2.730 0.030 1 0 "[ . 1]" 1
228 1 40 ALA H 1 41 LEU H 4.000 . 5.000 4.298 3.980 4.630 . 0 0 "[ . 1]" 1
229 1 44 PHE H 1 45 GLY H 4.000 . 5.000 2.639 2.071 2.939 . 0 0 "[ . 1]" 1
230 1 45 GLY H 1 46 ARG H 3.000 . 3.700 2.807 2.755 2.992 . 0 0 "[ . 1]" 1
231 1 49 ILE H 1 50 GLN H 4.000 . 5.000 2.272 2.020 3.757 . 0 0 "[ . 1]" 1
232 1 50 GLN H 1 51 VAL H 4.000 . 5.000 2.738 2.564 2.929 . 0 0 "[ . 1]" 1
233 1 55 GLY H 1 56 SER H 3.000 . 3.700 2.275 1.933 2.831 . 0 0 "[ . 1]" 1
234 1 56 SER H 1 57 ALA H 5.000 . 6.000 3.889 3.651 4.162 . 0 0 "[ . 1]" 1
235 1 57 ALA H 1 58 GLN H 3.000 . 3.700 2.682 2.465 2.789 . 0 0 "[ . 1]" 1
236 1 58 GLN H 1 59 VAL H 3.000 . 3.700 2.742 2.517 2.821 . 0 0 "[ . 1]" 1
237 1 59 VAL H 1 60 ALA H 3.000 . 3.700 2.463 2.313 2.809 . 0 0 "[ . 1]" 1
238 1 60 ALA H 1 61 GLU H 4.000 . 5.000 2.715 2.528 2.878 . 0 0 "[ . 1]" 1
239 1 65 LEU H 1 66 HIS H 4.000 . 5.000 2.732 2.605 2.830 . 0 0 "[ . 1]" 1
240 1 66 HIS H 1 67 GLY H 3.000 . 3.700 2.725 2.397 2.900 . 0 0 "[ . 1]" 1
241 1 67 GLY H 1 68 ALA H 3.000 . 3.700 2.185 1.949 2.886 . 0 0 "[ . 1]" 1
242 1 71 ASN H 1 72 CYS H 4.000 . 5.000 2.393 2.206 2.619 . 0 0 "[ . 1]" 1
243 1 72 CYS H 1 73 ALA H 4.000 . 5.000 4.657 4.547 4.702 . 0 0 "[ . 1]" 1
244 1 83 HIS H 1 84 ASP H 4.000 . 5.000 2.709 2.598 2.784 . 0 0 "[ . 1]" 1
245 1 88 GLU H 1 89 GLY H 4.000 . 5.000 2.273 2.139 2.540 . 0 0 "[ . 1]" 1
246 1 89 GLY H 1 90 PHE H 3.000 . 3.700 2.288 1.986 2.775 . 0 0 "[ . 1]" 1
247 1 92 ASP H 1 93 THR H 3.000 . 3.700 2.846 2.743 2.927 . 0 0 "[ . 1]" 1
248 1 93 THR H 1 94 LEU H 4.000 . 5.000 2.632 2.453 2.796 . 0 0 "[ . 1]" 1
249 1 94 LEU H 1 95 VAL H 4.000 . 5.000 2.793 2.685 2.857 . 0 0 "[ . 1]" 1
250 1 95 VAL H 1 96 VAL H 4.000 . 5.000 2.732 2.629 2.839 . 0 0 "[ . 1]" 1
251 1 99 ARG H 1 100 ALA H 4.000 . 5.000 2.685 2.398 2.998 . 0 0 "[ . 1]" 1
252 1 100 ALA H 1 101 GLY H 3.000 . 3.700 2.792 2.455 3.221 . 0 0 "[ . 1]" 1
253 1 101 GLY H 1 102 ALA H 3.000 . 3.700 3.409 2.154 3.715 0.015 9 0 "[ . 1]" 1
254 1 111 GLY H 1 112 ARG H 4.000 . 5.000 3.240 1.916 4.306 . 0 0 "[ . 1]" 1
255 1 116 ASP H 1 117 LEU H 4.000 . 5.000 2.645 2.469 2.758 . 0 0 "[ . 1]" 1
256 1 117 LEU H 1 118 ALA H 4.000 . 5.000 2.743 2.653 3.085 . 0 0 "[ . 1]" 1
257 1 118 ALA H 1 119 GLU H 4.000 . 5.000 2.834 2.397 3.099 . 0 0 "[ . 1]" 1
258 1 119 GLU H 1 120 GLU H 4.000 . 5.000 2.796 2.770 2.812 . 0 0 "[ . 1]" 1
259 1 121 GLN H 1 122 GLY H 3.000 . 3.700 3.078 2.269 3.725 0.025 9 0 "[ . 1]" 1
260 1 122 GLY H 1 123 HIS H 2.500 . 2.700 2.135 1.932 2.677 . 0 0 "[ . 1]" 1
261 1 127 ALA H 1 128 ARG H 3.000 . 3.700 2.731 2.607 2.943 . 0 0 "[ . 1]" 1
262 1 128 ARG H 1 129 TYR H 4.000 . 5.000 2.814 2.660 2.985 . 0 0 "[ . 1]" 1
263 1 129 TYR H 1 130 LEU H 4.000 . 5.000 2.660 2.474 2.763 . 0 0 "[ . 1]" 1
264 1 131 HIS H 1 132 ALA H 3.000 . 3.700 2.760 2.631 2.828 . 0 0 "[ . 1]" 1
265 1 134 THR H 1 135 GLY H 2.500 . 2.700 2.394 1.933 2.745 0.045 9 0 "[ . 1]" 1
266 1 135 GLY H 1 136 ASP H 3.000 . 3.700 3.200 2.263 3.742 0.042 9 0 "[ . 1]" 1
267 1 24 GLN HA 1 25 VAL H 2.500 . 2.700 2.434 2.260 2.584 . 0 0 "[ . 1]" 1
268 1 33 GLU HA 1 34 ALA H 3.000 . 3.700 3.439 3.248 3.549 . 0 0 "[ . 1]" 1
269 1 35 GLY HA2 1 36 ALA H 4.000 . 5.000 3.074 2.466 3.515 . 0 0 "[ . 1]" 1
270 1 35 GLY HA3 1 36 ALA H 4.000 . 5.000 3.328 3.009 3.581 . 0 0 "[ . 1]" 1
271 1 36 ALA HA 1 37 ASP H 2.500 . 2.700 2.332 2.206 2.726 0.026 1 0 "[ . 1]" 1
272 1 38 PRO HA 1 39 ASN H 4.000 . 5.000 3.439 3.321 3.527 . 0 0 "[ . 1]" 1
273 1 39 ASN HA 1 40 ALA H 3.000 . 3.700 3.007 2.858 3.175 . 0 0 "[ . 1]" 1
274 1 45 GLY HA2 1 46 ARG H 4.000 . 5.000 2.980 2.883 3.048 . 0 0 "[ . 1]" 1
275 1 45 GLY HA3 1 46 ARG H 4.000 . 5.000 3.505 3.480 3.539 . 0 0 "[ . 1]" 1
276 1 52 MET HA 1 53 MET H 4.000 . 5.000 2.589 2.306 3.028 . 0 0 "[ . 1]" 1
277 1 56 SER HA 1 57 ALA H 2.500 . 2.700 2.264 2.217 2.350 . 0 0 "[ . 1]" 1
278 1 59 VAL HA 1 60 ALA H 4.000 . 5.000 3.566 3.539 3.598 . 0 0 "[ . 1]" 1
279 1 65 LEU HA 1 66 HIS H 4.000 . 5.000 3.525 3.505 3.569 . 0 0 "[ . 1]" 1
280 1 67 GLY HA2 1 68 ALA H 4.000 . 5.000 2.774 2.682 2.884 . 0 0 "[ . 1]" 1
281 1 67 GLY HA3 1 68 ALA H 4.000 . 5.000 3.565 3.547 3.582 . 0 0 "[ . 1]" 1
282 1 72 CYS HA 1 73 ALA H 2.500 . 2.700 2.370 2.211 2.524 . 0 0 "[ . 1]" 1
283 1 90 PHE HA 1 91 LEU H 4.000 . 5.000 2.314 2.245 2.421 . 0 0 "[ . 1]" 1
284 1 92 ASP HA 1 93 THR H 3.000 . 3.700 3.586 3.561 3.605 . 0 0 "[ . 1]" 1
285 1 96 VAL HA 1 97 LEU H 4.000 . 5.000 3.578 3.568 3.596 . 0 0 "[ . 1]" 1
286 1 99 ARG HA 1 100 ALA H 4.000 . 5.000 3.513 3.405 3.588 . 0 0 "[ . 1]" 1
287 1 104 LEU HA 1 105 ASP H 4.000 . 5.000 3.069 2.547 3.489 . 0 0 "[ . 1]" 1
288 1 106 VAL HA 1 107 CYS H 2.500 . 2.700 2.401 2.292 2.514 . 0 0 "[ . 1]" 1
289 1 123 HIS HA 1 124 ARG H 3.000 . 3.700 2.488 2.295 2.696 . 0 0 "[ . 1]" 1
290 1 127 ALA HA 1 128 ARG H 4.000 . 5.000 3.563 3.519 3.608 . 0 0 "[ . 1]" 1
291 1 133 ALA HA 1 134 THR H 3.000 . 3.700 3.346 3.016 3.515 . 0 0 "[ . 1]" 1
292 1 135 GLY HA2 1 136 ASP H 3.000 . 3.700 2.970 2.198 3.579 . 0 0 "[ . 1]" 1
293 1 135 GLY HA3 1 136 ASP H 3.000 . 3.700 3.023 2.199 3.577 . 0 0 "[ . 1]" 1
294 1 17 ALA CB 1 18 THR H 2.500 . 3.700 2.913 2.704 3.079 . 0 0 "[ . 1]" 1
295 1 18 THR CB 1 19 ALA H 2.500 . 4.200 2.868 2.764 3.050 . 0 0 "[ . 1]" 1
296 1 20 ALA CB 1 21 ALA H 5.000 . 7.000 3.021 2.835 3.184 . 0 0 "[ . 1]" 1
297 1 21 ALA CB 1 22 ARG H 3.000 . 4.700 3.217 3.126 3.387 . 0 0 "[ . 1]" 1
298 1 24 GLN CB 1 25 VAL H 4.000 . 6.000 3.946 3.415 4.043 . 0 0 "[ . 1]" 1
299 1 28 VAL HB 1 29 ARG H 5.000 . 6.000 2.732 2.430 2.962 . 0 0 "[ . 1]" 1
300 1 30 GLN CB 1 31 LEU H 5.000 . 7.000 2.919 2.740 3.336 . 0 0 "[ . 1]" 1
301 1 33 GLU CB 1 34 ALA H 3.000 . 5.200 3.421 3.108 3.765 . 0 0 "[ . 1]" 1
302 1 34 ALA CB 1 35 GLY H 2.500 . 3.700 3.006 2.601 3.685 . 0 0 "[ . 1]" 1
303 1 36 ALA CB 1 37 ASP H 3.000 . 5.200 3.336 2.612 3.651 . 0 0 "[ . 1]" 1
304 1 54 MET CB 1 55 GLY H 3.000 . 4.700 3.797 3.367 3.924 . 0 0 "[ . 1]" 1
305 1 57 ALA CB 1 58 GLN H 3.000 . 4.700 3.256 3.190 3.438 . 0 0 "[ . 1]" 1
306 1 59 VAL HB 1 60 ALA H 4.000 . 5.000 2.495 2.101 2.692 . 0 0 "[ . 1]" 1
307 1 60 ALA CB 1 61 GLU H 3.000 . 4.700 3.077 2.763 3.290 . 0 0 "[ . 1]" 1
308 1 65 LEU CB 1 66 HIS H 3.000 . 4.700 3.207 3.015 3.294 . 0 0 "[ . 1]" 1
309 1 86 ALA CB 1 87 ARG H 3.000 . 4.700 3.171 2.972 3.324 . 0 0 "[ . 1]" 1
310 1 91 LEU CB 1 92 ASP H 3.000 . 4.700 3.240 3.116 3.313 . 0 0 "[ . 1]" 1
311 1 92 ASP HB2 1 93 THR H 4.000 . 5.000 3.177 2.237 3.782 . 0 0 "[ . 1]" 1
312 1 92 ASP HB3 1 93 THR H 4.000 . 5.000 2.822 2.236 3.952 . 0 0 "[ . 1]" 1
313 1 98 HIS CB 1 99 ARG H 3.000 . 4.700 3.192 2.670 3.405 . 0 0 "[ . 1]" 1
314 1 99 ARG CB 1 100 ALA H 3.000 . 4.700 3.114 2.558 3.526 . 0 0 "[ . 1]" 1
315 1 100 ALA CB 1 101 GLY H 4.000 . 6.000 3.524 2.473 4.011 . 0 0 "[ . 1]" 1
316 1 106 VAL HB 1 107 CYS H 4.000 . 5.000 4.029 3.897 4.185 . 0 0 "[ . 1]" 1
317 1 106 VAL CG1 1 107 CYS H 2.500 . 4.700 4.014 3.677 4.377 . 0 0 "[ . 1]" 1
318 1 106 VAL CG2 1 107 CYS H 4.000 . 6.500 2.717 2.425 3.090 . 0 0 "[ . 1]" 1
319 1 118 ALA CB 1 119 GLU H 2.500 . 3.700 2.732 2.507 3.069 . 0 0 "[ . 1]" 1
320 1 126 ILE HB 1 127 ALA H 3.000 . 3.700 3.568 2.603 3.753 0.053 1 0 "[ . 1]" 1
321 1 127 ALA CB 1 128 ARG H 3.000 . 4.700 2.975 2.723 3.199 . 0 0 "[ . 1]" 1
322 1 128 ARG CB 1 129 TYR H 3.000 . 4.700 2.889 2.791 3.053 . 0 0 "[ . 1]" 1
323 1 131 HIS CB 1 132 ALA H 3.000 . 4.700 3.231 3.114 3.309 . 0 0 "[ . 1]" 1
324 1 132 ALA CB 1 133 ALA H 2.500 . 4.200 3.202 3.052 3.478 . 0 0 "[ . 1]" 1
325 1 17 ALA HA 1 20 ALA CB 4.000 . 6.000 3.401 3.048 3.717 . 0 0 "[ . 1]" 1
326 1 18 THR HA 1 21 ALA CB 3.000 . 4.700 3.817 3.398 4.269 . 0 0 "[ . 1]" 1
327 1 24 GLN HA 1 27 THR HB 4.000 . 5.000 4.777 4.450 5.034 0.034 8 0 "[ . 1]" 1
328 1 25 VAL HA 1 28 VAL HB 4.000 . 5.000 2.687 2.364 3.473 . 0 0 "[ . 1]" 1
329 1 27 THR HA 1 30 GLN HB2 4.000 . 5.000 3.551 2.097 4.869 . 0 0 "[ . 1]" 1
330 1 27 THR HA 1 30 GLN HB3 4.000 . 5.000 3.934 3.027 4.688 . 0 0 "[ . 1]" 1
331 1 28 VAL HA 1 31 LEU CB 4.000 . 6.000 3.720 3.092 4.137 . 0 0 "[ . 1]" 1
332 1 29 ARG HA 1 32 LEU CB 4.000 . 6.000 4.301 3.858 4.911 . 0 0 "[ . 1]" 1
333 1 57 ALA HA 1 60 ALA CB 3.000 . 4.700 3.440 3.076 3.764 . 0 0 "[ . 1]" 1
334 1 58 GLN HA 1 61 GLU CB 4.000 . 6.000 4.137 3.348 4.641 . 0 0 "[ . 1]" 1
335 1 59 VAL HA 1 62 LEU CB 4.000 . 6.000 3.696 3.193 4.676 . 0 0 "[ . 1]" 1
336 1 61 GLU HA 1 64 LEU HB2 4.000 . 5.000 3.345 2.972 4.502 . 0 0 "[ . 1]" 1
337 1 61 GLU HA 1 64 LEU HB3 4.000 . 5.000 2.697 2.061 4.137 . 0 0 "[ . 1]" 1
338 1 82 VAL HA 1 85 ALA CB 4.000 . 6.000 3.954 3.492 4.374 . 0 0 "[ . 1]" 1
339 1 84 ASP HA 1 87 ARG CB 4.000 . 6.000 3.419 2.826 4.108 . 0 0 "[ . 1]" 1
340 1 85 ALA HA 1 88 GLU CB 4.000 . 6.000 4.468 3.926 5.189 . 0 0 "[ . 1]" 1
341 1 92 ASP HA 1 95 VAL HB 4.000 . 5.000 3.290 3.006 3.407 . 0 0 "[ . 1]" 1
342 1 93 THR HA 1 96 VAL HB 3.000 . 3.700 2.644 2.372 2.820 . 0 0 "[ . 1]" 1
343 1 95 VAL HA 1 98 HIS CB 4.000 . 6.000 3.806 3.434 4.056 . 0 0 "[ . 1]" 1
344 1 96 VAL HA 1 99 ARG CB 3.000 . 4.700 3.446 3.002 4.495 . 0 0 "[ . 1]" 1
345 1 97 LEU HA 1 100 ALA CB 3.000 . 5.200 4.483 3.672 5.065 . 0 0 "[ . 1]" 1
346 1 115 VAL HA 1 118 ALA CB 4.000 . 6.000 3.862 3.589 4.812 . 0 0 "[ . 1]" 1
347 1 116 ASP HA 1 119 GLU CB 3.000 . 4.700 3.975 2.973 4.625 . 0 0 "[ . 1]" 1
348 1 117 LEU HA 1 120 GLU CB 3.000 . 4.700 3.634 3.135 4.561 . 0 0 "[ . 1]" 1
349 1 118 ALA HA 1 121 GLN CB 4.000 . 6.000 4.480 3.661 6.071 0.071 9 0 "[ . 1]" 1
350 1 124 ARG HA 1 127 ALA CB 2.500 . 4.200 3.292 3.001 3.743 . 0 0 "[ . 1]" 1
351 1 125 ASP HA 1 128 ARG CB 3.000 . 4.700 4.105 3.871 4.519 . 0 0 "[ . 1]" 1
352 1 126 ILE HA 1 129 TYR CB 4.000 . 6.000 3.890 3.595 4.177 . 0 0 "[ . 1]" 1
353 1 127 ALA HA 1 130 LEU CB 4.000 . 6.000 3.429 3.162 3.863 . 0 0 "[ . 1]" 1
354 1 128 ARG HA 1 131 HIS CB 3.000 . 4.700 4.078 3.409 4.627 . 0 0 "[ . 1]" 1
355 1 129 TYR HA 1 132 ALA CB 3.000 . 4.700 3.719 3.334 4.703 0.003 7 0 "[ . 1]" 1
356 1 130 LEU HA 1 133 ALA CB 4.000 . 6.000 4.037 3.161 4.856 . 0 0 "[ . 1]" 1
357 1 18 THR H 1 20 ALA H 5.000 . 6.000 4.074 3.882 4.410 . 0 0 "[ . 1]" 1
358 1 22 ARG CG 1 24 GLN H 4.000 . 6.000 5.601 4.693 6.031 0.031 1 0 "[ . 1]" 1
359 1 22 ARG CG 1 24 GLN HG2 4.000 . 6.000 5.071 3.543 6.005 0.005 1 0 "[ . 1]" 1
360 1 22 ARG CG 1 24 GLN HG3 4.000 . 6.000 4.388 3.556 4.826 . 0 0 "[ . 1]" 1
361 1 24 GLN HG2 1 27 THR CG2 4.000 . 6.500 6.318 5.998 6.541 0.041 1 0 "[ . 1]" 1
362 1 24 GLN HG3 1 27 THR CG2 4.000 . 6.500 5.458 4.434 6.455 . 0 0 "[ . 1]" 1
363 1 25 VAL CG1 1 26 GLU H 4.000 . 6.000 3.769 3.190 4.214 . 0 0 "[ . 1]" 1
364 1 25 VAL CG2 1 26 GLU H 3.000 . 4.700 4.308 4.101 4.469 . 0 0 "[ . 1]" 1
365 1 26 GLU CG 1 27 THR H 4.000 . 6.000 3.982 2.424 4.466 . 0 0 "[ . 1]" 1
366 1 27 THR H 1 29 ARG H 5.000 . 6.000 4.046 3.809 4.293 . 0 0 "[ . 1]" 1
367 1 27 THR HA 1 30 GLN CG 5.000 . 8.000 4.993 3.637 6.080 . 0 0 "[ . 1]" 1
368 1 27 THR HA 1 31 LEU CG 4.000 . 7.000 6.347 5.942 7.061 0.061 1 0 "[ . 1]" 1
369 1 27 THR HB 1 31 LEU CG 4.000 . 7.000 6.860 5.993 7.025 0.025 1 0 "[ . 1]" 1
370 1 28 VAL HA 1 31 LEU CG 4.000 . 7.000 4.767 4.014 5.335 . 0 0 "[ . 1]" 1
371 1 31 LEU CG 1 34 ALA H 4.000 . 7.000 5.891 5.562 6.528 . 0 0 "[ . 1]" 1
372 1 31 LEU CG 1 36 ALA HA 4.000 . 7.500 5.774 5.198 6.989 . 0 0 "[ . 1]" 1
373 1 32 LEU HA 1 36 ALA H 4.000 . 6.000 3.115 2.511 3.819 . 0 0 "[ . 1]" 1
374 1 32 LEU CD1 1 36 ALA CB 3.000 . 5.700 5.417 4.196 5.734 0.034 5 0 "[ . 1]" 1
375 1 32 LEU CD2 1 36 ALA CB 3.000 . 5.700 4.612 3.929 5.719 0.019 4 0 "[ . 1]" 1
376 1 33 GLU CG 1 34 ALA H 5.000 . 7.000 4.264 3.111 4.788 . 0 0 "[ . 1]" 1
377 1 35 GLY H 1 36 ALA CB 4.000 . 7.000 4.120 4.019 4.644 . 0 0 "[ . 1]" 1
378 1 34 ALA CB 1 36 ALA H 4.000 . 6.500 4.594 4.008 5.617 . 0 0 "[ . 1]" 1
379 1 37 ASP HB2 1 40 ALA CB 3.000 . 4.700 4.193 3.157 4.829 0.129 9 0 "[ . 1]" 1
380 1 37 ASP HB3 1 40 ALA CB 3.000 . 4.700 3.244 2.538 4.931 0.231 9 0 "[ . 1]" 1
381 1 39 ASN H 1 40 ALA CB 3.000 . 5.200 4.626 4.351 4.832 . 0 0 "[ . 1]" 1
382 1 41 LEU CD1 1 42 ASN H 4.000 . 6.000 4.769 3.913 5.824 . 0 0 "[ . 1]" 1
383 1 41 LEU CD2 1 42 ASN H 4.000 . 6.000 4.038 3.059 5.776 . 0 0 "[ . 1]" 1
384 1 41 LEU CG 1 42 ASN HA 5.000 . 8.000 5.767 4.675 6.559 . 0 0 "[ . 1]" 1
385 1 41 LEU CD1 1 45 GLY H 5.000 . 7.500 5.838 4.188 6.799 . 0 0 "[ . 1]" 1
386 1 41 LEU CD2 1 45 GLY H 5.000 . 7.500 5.692 3.465 6.786 . 0 0 "[ . 1]" 1
387 1 41 LEU CD1 1 45 GLY HA2 4.000 . 6.500 4.667 3.621 5.205 . 0 0 "[ . 1]" 1
388 1 41 LEU CD1 1 45 GLY HA3 4.000 . 6.500 6.221 5.379 6.562 0.062 6 0 "[ . 1]" 1
389 1 41 LEU CD2 1 45 GLY HA2 4.000 . 6.500 4.362 2.704 4.964 . 0 0 "[ . 1]" 1
390 1 41 LEU CD2 1 45 GLY HA3 4.000 . 6.500 5.905 4.144 6.535 0.035 9 0 "[ . 1]" 1
391 1 48 PRO HA 1 51 VAL CG1 3.000 . 5.200 3.786 3.402 4.028 . 0 0 "[ . 1]" 1
392 1 49 ILE HG12 1 52 MET CE 5.000 . 7.000 4.841 4.346 6.093 . 0 0 "[ . 1]" 1
393 1 49 ILE HG13 1 52 MET CE 5.000 . 7.000 6.156 5.713 6.457 . 0 0 "[ . 1]" 1
394 1 49 ILE CD1 1 52 MET CE 3.000 . 5.700 5.579 4.509 5.762 0.062 3 0 "[ . 1]" 1
395 1 49 ILE CD1 1 54 MET CE 4.000 . 7.000 6.890 6.474 7.036 0.036 8 0 "[ . 1]" 1
396 1 52 MET CE 1 54 MET HA 4.000 . 6.000 3.102 2.528 3.788 . 0 0 "[ . 1]" 1
397 1 52 MET CE 1 54 MET CE 4.000 . 7.000 3.718 3.335 3.947 . 0 0 "[ . 1]" 1
398 1 53 MET CE 1 56 SER H 4.000 . 6.000 4.891 3.919 5.475 . 0 0 "[ . 1]" 1
399 1 53 MET CE 1 56 SER HB3 5.000 . 7.000 4.848 3.757 5.827 . 0 0 "[ . 1]" 1
400 1 53 MET CE 1 56 SER HB2 5.000 . 7.000 4.182 2.698 5.918 . 0 0 "[ . 1]" 1
401 1 56 SER HA 1 59 VAL CG1 4.000 . 7.500 7.528 7.509 7.556 0.056 8 0 "[ . 1]" 1
402 1 56 SER HB2 1 59 VAL CG1 5.000 . 7.500 5.928 5.078 6.675 . 0 0 "[ . 1]" 1
403 1 56 SER HB2 1 59 VAL CG2 4.000 . 6.500 3.933 3.116 4.667 . 0 0 "[ . 1]" 1
404 1 56 SER HB3 1 59 VAL CG2 4.000 . 7.000 3.363 2.482 4.564 . 0 0 "[ . 1]" 1
405 1 56 SER HB3 1 59 VAL CG1 5.000 . 7.500 5.390 4.755 6.699 . 0 0 "[ . 1]" 1
406 1 56 SER CB 1 59 VAL HB 5.000 . 7.000 4.274 4.042 5.040 . 0 0 "[ . 1]" 1
407 1 59 VAL CB 1 60 ALA H 3.000 . 5.700 2.992 2.694 3.148 . 0 0 "[ . 1]" 1
408 1 61 GLU HA 1 64 LEU CG 3.000 . 6.700 4.341 3.778 5.167 . 0 0 "[ . 1]" 1
409 1 62 LEU CG 1 66 HIS HE1 4.000 . 7.000 5.404 3.968 6.987 . 0 0 "[ . 1]" 1
410 1 64 LEU HA 1 67 GLY H 4.000 . 5.000 3.813 3.290 4.127 . 0 0 "[ . 1]" 1
411 1 64 LEU CG 1 67 GLY H 4.000 . 7.000 6.051 5.419 6.494 . 0 0 "[ . 1]" 1
412 1 64 LEU CG 1 68 ALA H 4.000 . 7.000 5.114 4.524 5.478 . 0 0 "[ . 1]" 1
413 1 65 LEU CG 1 66 HIS H 2.500 . 4.700 3.372 2.799 4.258 . 0 0 "[ . 1]" 1
414 1 65 LEU CG 1 66 HIS HE1 4.000 . 7.500 5.920 4.368 6.900 . 0 0 "[ . 1]" 1
415 1 69 GLU HA 1 70 PRO HD2 2.500 . 2.700 2.295 2.184 2.415 . 0 0 "[ . 1]" 1
416 1 69 GLU HA 1 70 PRO HD3 2.500 . 2.700 2.732 2.720 2.746 0.046 4 0 "[ . 1]" 1
417 1 73 ALA CB 1 78 LEU HA 3.000 . 4.700 4.272 3.891 4.714 0.014 7 0 "[ . 1]" 1
418 1 74 ASP HB2 1 79 THR HB 3.000 . 3.700 3.658 3.158 3.739 0.039 7 0 "[ . 1]" 1
419 1 74 ASP HB3 1 79 THR HB 3.000 . 3.700 3.645 2.850 3.780 0.080 8 0 "[ . 1]" 1
420 1 75 PRO HA 1 78 LEU CD1 5.000 . 7.500 6.084 5.762 6.408 . 0 0 "[ . 1]" 1
421 1 75 PRO HA 1 78 LEU CD2 5.000 . 7.500 4.982 3.424 5.796 . 0 0 "[ . 1]" 1
422 1 76 ALA CB 1 77 THR HB 5.000 . 7.000 5.263 4.270 5.747 . 0 0 "[ . 1]" 1
423 1 79 THR CG2 1 83 HIS CB 3.000 . 5.700 5.298 4.908 5.720 0.020 6 0 "[ . 1]" 1
424 1 85 ALA CB 1 90 PHE H 5.000 . 7.000 4.915 4.500 5.215 . 0 0 "[ . 1]" 1
425 1 90 PHE CB 1 93 THR HB 4.000 . 6.000 3.716 3.429 4.103 . 0 0 "[ . 1]" 1
426 1 92 ASP HA 1 95 VAL CG1 3.000 . 5.200 5.137 4.856 5.226 0.026 6 0 "[ . 1]" 1
427 1 92 ASP HA 1 95 VAL CG2 3.000 . 5.200 4.021 3.827 4.268 . 0 0 "[ . 1]" 1
428 1 93 THR HB 1 96 VAL HB 5.000 . 6.000 5.187 4.886 5.384 . 0 0 "[ . 1]" 1
429 1 95 VAL CG2 1 96 VAL H 4.000 . 7.000 4.184 4.127 4.212 . 0 0 "[ . 1]" 1
430 1 95 VAL CG1 1 99 ARG CB 3.000 . 6.200 4.991 4.119 5.814 . 0 0 "[ . 1]" 1
431 1 95 VAL CG1 1 99 ARG CD 2.500 . 4.700 4.423 3.934 4.620 . 0 0 "[ . 1]" 1
432 1 95 VAL CG2 1 99 ARG CD 4.000 . 7.000 6.843 6.328 7.040 0.040 7 0 "[ . 1]" 1
433 1 96 VAL HA 1 99 ARG CD 4.000 . 6.000 3.497 2.500 3.925 . 0 0 "[ . 1]" 1
434 1 100 ALA H 1 102 ALA H 5.000 . 6.000 5.236 4.304 5.906 . 0 0 "[ . 1]" 1
435 1 101 GLY H 1 102 ALA CB 4.000 . 6.000 4.767 4.167 5.155 . 0 0 "[ . 1]" 1
436 1 103 ARG HD2 1 106 VAL CG1 4.000 . 6.000 5.566 3.902 6.072 0.072 2 0 "[ . 1]" 1
437 1 103 ARG HD2 1 106 VAL CG2 4.000 . 6.000 5.379 4.399 6.034 0.034 2 0 "[ . 1]" 1
438 1 103 ARG HD3 1 106 VAL CG1 4.000 . 6.000 5.067 4.255 6.044 0.044 2 0 "[ . 1]" 1
439 1 103 ARG HD3 1 106 VAL CG2 4.000 . 6.000 5.097 4.263 6.072 0.072 4 0 "[ . 1]" 1
440 1 105 ASP H 1 106 VAL CG1 3.000 . 5.200 4.708 3.942 5.233 0.033 5 0 "[ . 1]" 1
441 1 107 CYS HB2 1 111 GLY HA2 5.000 . 6.000 5.298 3.926 6.079 0.079 2 0 "[ . 1]" 1
442 1 107 CYS HB2 1 111 GLY HA3 5.000 . 6.000 5.438 3.347 6.004 0.004 9 0 "[ . 1]" 1
443 1 107 CYS HB3 1 111 GLY HA2 5.000 . 6.000 4.608 2.493 6.044 0.044 8 0 "[ . 1]" 1
444 1 107 CYS HB3 1 111 GLY HA3 5.000 . 6.000 4.753 3.878 5.541 . 0 0 "[ . 1]" 1
445 1 114 PRO HA 1 117 LEU CD1 4.000 . 6.000 4.506 3.344 5.667 . 0 0 "[ . 1]" 1
446 1 114 PRO HA 1 117 LEU CD2 4.000 . 6.000 5.317 3.483 5.972 . 0 0 "[ . 1]" 1
447 1 115 VAL CG2 1 119 GLU HG2 4.000 . 6.000 5.132 3.162 6.001 0.001 4 0 "[ . 1]" 1
448 1 115 VAL CG2 1 119 GLU HG3 4.000 . 6.000 4.582 2.873 6.022 0.022 1 0 "[ . 1]" 1
449 1 118 ALA HA 1 123 HIS HA 5.000 . 6.000 5.310 4.923 5.794 . 0 0 "[ . 1]" 1
450 1 118 ALA CB 1 123 HIS HA 4.000 . 6.500 5.610 5.098 6.032 . 0 0 "[ . 1]" 1
451 1 118 ALA CB 1 123 HIS HB2 4.000 . 6.000 2.880 2.477 3.094 . 0 0 "[ . 1]" 1
452 1 118 ALA CB 1 123 HIS HB3 4.000 . 6.000 4.348 4.086 4.818 . 0 0 "[ . 1]" 1
453 1 122 GLY HA2 1 123 HIS HA 4.000 . 5.000 4.597 4.513 4.802 . 0 0 "[ . 1]" 1
454 1 122 GLY HA3 1 123 HIS HA 4.000 . 5.000 4.560 4.480 4.579 . 0 0 "[ . 1]" 1
455 1 123 HIS HA 1 126 ILE CD1 4.000 . 6.500 6.376 5.643 6.566 0.066 7 0 "[ . 1]" 1
456 1 123 HIS HA 1 126 ILE HB 4.000 . 5.000 4.570 4.272 4.899 . 0 0 "[ . 1]" 1
457 1 123 HIS HB2 1 126 ILE CD1 3.000 . 5.200 5.032 4.272 5.244 0.044 6 0 "[ . 1]" 1
458 1 123 HIS HB3 1 126 ILE CD1 3.000 . 5.200 4.223 3.778 4.406 . 0 0 "[ . 1]" 1
459 1 125 ASP HA 1 128 ARG CD 3.000 . 4.700 3.849 2.958 4.726 0.026 8 0 "[ . 1]" 1
460 1 125 ASP CB 1 128 ARG CB 5.000 . 8.000 6.090 5.784 6.586 . 0 0 "[ . 1]" 1
461 1 125 ASP HA 1 128 ARG HG2 5.000 . 6.000 4.660 2.606 5.806 . 0 0 "[ . 1]" 1
462 1 125 ASP HA 1 128 ARG HG3 5.000 . 6.000 4.177 2.727 5.719 . 0 0 "[ . 1]" 1
463 1 127 ALA CB 1 128 ARG CD 4.000 . 7.000 6.318 4.388 7.184 0.184 3 0 "[ . 1]" 1
464 1 129 TYR CG 1 130 LEU H 4.000 . 7.000 4.138 3.571 4.433 . 0 0 "[ . 1]" 1
465 1 129 TYR CG 1 130 LEU HA 4.000 . 7.000 4.822 4.380 5.256 . 0 0 "[ . 1]" 1
466 1 129 TYR CZ 1 130 LEU HA 4.000 . 7.000 5.847 5.140 6.463 . 0 0 "[ . 1]" 1
467 1 129 TYR CZ 1 133 ALA CB 4.000 . 8.000 5.489 4.452 6.177 . 0 0 "[ . 1]" 1
468 1 129 TYR CG 1 133 ALA CB 5.000 . 9.000 5.741 5.093 6.435 . 0 0 "[ . 1]" 1
469 1 132 ALA H 1 133 ALA CB 4.000 . 6.500 4.973 4.591 5.266 . 0 0 "[ . 1]" 1
470 1 134 THR CG2 1 135 GLY H 4.000 . 6.500 4.254 2.914 4.815 . 0 0 "[ . 1]" 1
471 1 18 THR CG2 1 18 THR H 3.000 . 4.700 2.750 2.506 3.982 . 0 0 "[ . 1]" 1
472 1 25 VAL H 1 25 VAL HB 3.000 . 3.700 2.315 2.155 2.495 . 0 0 "[ . 1]" 1
473 1 25 VAL CG2 1 25 VAL H 2.500 . 4.200 2.824 2.551 3.127 . 0 0 "[ . 1]" 1
474 1 25 VAL CG1 1 25 VAL H 4.000 . 6.500 3.981 3.931 4.076 . 0 0 "[ . 1]" 1
475 1 25 VAL CG1 1 25 VAL HA 3.000 . 5.200 2.837 2.736 2.929 . 0 0 "[ . 1]" 1
476 1 25 VAL CG2 1 25 VAL HA 3.000 . 5.200 2.651 2.578 2.737 . 0 0 "[ . 1]" 1
477 1 29 ARG CD 1 29 ARG HA 4.000 . 6.000 2.972 2.516 3.584 . 0 0 "[ . 1]" 1
478 1 30 GLN H 1 30 GLN HG2 4.000 . 5.000 3.988 2.439 4.379 . 0 0 "[ . 1]" 1
479 1 30 GLN H 1 30 GLN HG3 4.000 . 5.000 4.000 2.261 4.538 . 0 0 "[ . 1]" 1
480 1 30 GLN HA 1 30 GLN HG2 3.000 . 3.700 2.665 2.135 3.514 . 0 0 "[ . 1]" 1
481 1 30 GLN HA 1 30 GLN HG3 3.000 . 3.700 2.978 2.073 3.661 . 0 0 "[ . 1]" 1
482 1 33 GLU H 1 33 GLU HG2 4.000 . 5.000 3.138 2.119 4.399 . 0 0 "[ . 1]" 1
483 1 33 GLU H 1 33 GLU HG3 4.000 . 5.000 3.351 2.005 4.378 . 0 0 "[ . 1]" 1
484 1 34 ALA CB 1 34 ALA H 2.500 . 4.200 2.512 2.467 2.655 . 0 0 "[ . 1]" 1
485 1 35 GLY H 1 35 GLY HA2 2.500 . 2.700 2.742 2.375 2.814 0.114 8 0 "[ . 1]" 1
486 1 35 GLY H 1 35 GLY HA3 2.500 . 2.700 2.860 2.827 2.921 0.221 1 0 "[ . 1]" 1
487 1 41 LEU CD1 1 41 LEU H 4.000 . 6.500 4.037 2.837 4.792 . 0 0 "[ . 1]" 1
488 1 41 LEU CD2 1 41 LEU H 4.000 . 6.500 4.118 3.352 4.533 . 0 0 "[ . 1]" 1
489 1 44 PHE CG 1 44 PHE H 4.000 . 7.000 3.220 2.506 4.200 . 0 0 "[ . 1]" 1
490 1 45 GLY H 1 45 GLY HA2 2.500 . 2.700 2.342 2.334 2.363 . 0 0 "[ . 1]" 1
491 1 45 GLY H 1 45 GLY HA3 2.500 . 2.700 2.786 2.727 2.802 0.102 2 0 "[ . 1]" 1
492 1 49 ILE CG2 1 49 ILE H 3.000 . 4.700 4.104 3.970 4.515 . 0 0 "[ . 1]" 1
493 1 49 ILE CD1 1 49 ILE HA 3.000 . 5.200 3.935 2.586 4.169 . 0 0 "[ . 1]" 1
494 1 51 VAL H 1 51 VAL HB 4.000 . 5.000 2.803 2.523 3.006 . 0 0 "[ . 1]" 1
495 1 51 VAL HA 1 51 VAL HB 2.500 . 2.700 2.493 2.467 2.525 . 0 0 "[ . 1]" 1
496 1 54 MET CE 1 54 MET HA 3.000 . 4.700 3.874 3.413 4.186 . 0 0 "[ . 1]" 1
497 1 57 ALA CB 1 57 ALA H 2.500 . 4.200 2.467 2.461 2.484 . 0 0 "[ . 1]" 1
498 1 56 SER H 1 56 SER HB2 3.000 . 3.700 3.084 2.288 3.735 0.035 3 0 "[ . 1]" 1
499 1 56 SER H 1 56 SER HB3 3.000 . 3.700 3.172 2.744 3.708 0.008 9 0 "[ . 1]" 1
500 1 56 SER HA 1 56 SER HB2 3.000 . 3.700 2.666 2.407 2.996 . 0 0 "[ . 1]" 1
501 1 56 SER HA 1 56 SER HB3 3.000 . 3.700 2.799 2.365 3.032 . 0 0 "[ . 1]" 1
502 1 58 GLN CB 1 58 GLN H 2.500 . 3.700 2.472 2.453 2.563 . 0 0 "[ . 1]" 1
503 1 58 GLN CG 1 58 GLN H 3.000 . 4.700 3.085 2.183 3.923 . 0 0 "[ . 1]" 1
504 1 58 GLN HA 1 58 GLN HG2 3.000 . 3.700 3.126 2.166 3.645 . 0 0 "[ . 1]" 1
505 1 59 VAL H 1 59 VAL HB 3.000 . 3.700 2.484 2.340 3.081 . 0 0 "[ . 1]" 1
506 1 66 HIS H 1 66 HIS HA 3.000 . 3.700 2.934 2.916 2.974 . 0 0 "[ . 1]" 1
507 1 67 GLY H 1 67 GLY HA2 2.500 . 2.700 2.675 2.332 2.797 0.097 10 0 "[ . 1]" 1
508 1 67 GLY H 1 67 GLY HA3 2.500 . 2.700 2.877 2.822 2.951 0.251 6 0 "[ . 1]" 1
509 1 68 ALA H 1 68 ALA HA 3.000 . 3.700 2.881 2.849 2.914 . 0 0 "[ . 1]" 1
510 1 68 ALA CB 1 68 ALA H 3.000 . 5.200 2.473 2.463 2.483 . 0 0 "[ . 1]" 1
511 1 72 CYS H 1 72 CYS HA 3.000 . 3.700 2.828 2.806 2.858 . 0 0 "[ . 1]" 1
512 1 72 CYS CB 1 72 CYS H 3.000 . 4.700 2.469 2.464 2.475 . 0 0 "[ . 1]" 1
513 1 72 CYS HA 1 72 CYS HB2 2.500 . 2.700 2.845 2.808 2.889 0.189 8 0 "[ . 1]" 1
514 1 72 CYS HA 1 72 CYS HB3 2.500 . 2.700 2.832 2.779 2.868 0.168 3 0 "[ . 1]" 1
515 1 77 THR CG2 1 77 THR HA 3.000 . 5.200 2.648 2.467 3.444 . 0 0 "[ . 1]" 1
516 1 78 LEU CD1 1 78 LEU HA 3.000 . 5.200 4.034 3.941 4.241 . 0 0 "[ . 1]" 1
517 1 78 LEU CD2 1 78 LEU HA 3.000 . 5.200 2.682 2.502 2.889 . 0 0 "[ . 1]" 1
518 1 89 GLY H 1 89 GLY HA2 3.000 . 4.700 2.418 2.347 2.491 . 0 0 "[ . 1]" 1
519 1 89 GLY H 1 89 GLY HA3 3.000 . 4.700 2.953 2.832 2.993 . 0 0 "[ . 1]" 1
520 1 90 PHE CB 1 90 PHE H 3.000 . 4.700 2.577 2.491 2.667 . 0 0 "[ . 1]" 1
521 1 90 PHE CG 1 90 PHE H 4.000 . 7.000 3.983 3.762 4.119 . 0 0 "[ . 1]" 1
522 1 90 PHE CG 1 90 PHE HA 3.000 . 5.700 2.507 2.453 2.647 . 0 0 "[ . 1]" 1
523 1 90 PHE HA 1 90 PHE HZ 5.000 . 6.000 4.112 1.890 5.585 . 0 0 "[ . 1]" 1
524 1 91 LEU H 1 91 LEU HA 3.000 . 3.700 2.881 2.846 2.940 . 0 0 "[ . 1]" 1
525 1 95 VAL H 1 95 VAL HB 3.000 . 3.700 2.390 2.236 2.441 . 0 0 "[ . 1]" 1
526 1 96 VAL H 1 96 VAL HA 2.500 . 2.700 2.800 2.759 2.817 0.117 4 0 "[ . 1]" 1
527 1 99 ARG CB 1 99 ARG H 2.500 . 3.700 2.475 2.459 2.504 . 0 0 "[ . 1]" 1
528 1 99 ARG CD 1 99 ARG HA 3.000 . 4.700 4.057 3.795 4.537 . 0 0 "[ . 1]" 1
529 1 100 ALA H 1 100 ALA HA 2.500 . 2.700 2.911 2.805 2.964 0.264 9 0 "[ . 1]" 1
530 1 100 ALA CB 1 100 ALA H 2.500 . 4.200 2.595 2.454 2.793 . 0 0 "[ . 1]" 1
531 1 103 ARG HA 1 103 ARG HD2 4.000 . 5.000 4.359 3.992 4.651 . 0 0 "[ . 1]" 1
532 1 103 ARG HA 1 103 ARG HD3 4.000 . 5.000 4.145 2.405 4.839 . 0 0 "[ . 1]" 1
533 1 104 LEU CD1 1 104 LEU HA 4.000 . 6.500 3.698 2.854 4.115 . 0 0 "[ . 1]" 1
534 1 104 LEU CD2 1 104 LEU HA 4.000 . 6.500 3.654 2.961 3.982 . 0 0 "[ . 1]" 1
535 1 105 ASP HA 1 105 ASP HB2 3.000 . 3.700 2.581 2.476 3.036 . 0 0 "[ . 1]" 1
536 1 105 ASP HA 1 105 ASP HB3 3.000 . 3.700 2.687 2.452 3.036 . 0 0 "[ . 1]" 1
537 1 106 VAL CG1 1 106 VAL H 2.500 . 4.200 2.673 2.462 2.898 . 0 0 "[ . 1]" 1
538 1 106 VAL CG2 1 106 VAL H 2.500 . 4.200 4.141 3.962 4.246 0.046 5 0 "[ . 1]" 1
539 1 106 VAL HA 1 106 VAL HB 2.500 . 2.700 2.511 2.467 2.608 . 0 0 "[ . 1]" 1
540 1 106 VAL CG1 1 106 VAL HA 2.500 . 4.200 3.444 3.431 3.450 . 0 0 "[ . 1]" 1
541 1 106 VAL CG2 1 106 VAL HA 3.000 . 5.200 2.692 2.587 2.739 . 0 0 "[ . 1]" 1
542 1 113 LEU HA 1 113 LEU HG 4.000 . 5.000 2.331 2.010 2.953 . 0 0 "[ . 1]" 1
543 1 115 VAL H 1 115 VAL HB 3.000 . 3.700 2.495 2.413 2.582 . 0 0 "[ . 1]" 1
544 1 115 VAL HA 1 115 VAL HB 3.000 . 3.700 2.484 2.453 2.522 . 0 0 "[ . 1]" 1
545 1 115 VAL CG1 1 115 VAL H 2.500 . 4.200 2.558 2.492 2.599 . 0 0 "[ . 1]" 1
546 1 115 VAL CG2 1 115 VAL H 4.000 . 6.000 3.995 3.976 4.041 . 0 0 "[ . 1]" 1
547 1 115 VAL CG2 1 115 VAL HA 2.500 . 4.200 2.718 2.675 2.762 . 0 0 "[ . 1]" 1
548 1 119 GLU H 1 119 GLU HA 2.500 . 2.700 2.796 2.786 2.806 0.106 8 0 "[ . 1]" 1
549 1 119 GLU HA 1 119 GLU HG2 3.000 . 3.700 2.602 2.098 3.796 0.096 3 0 "[ . 1]" 1
550 1 119 GLU HA 1 119 GLU HG3 3.000 . 3.700 3.286 2.897 3.638 . 0 0 "[ . 1]" 1
551 1 123 HIS HA 1 123 HIS HB2 3.000 . 3.700 3.017 2.961 3.039 . 0 0 "[ . 1]" 1
552 1 123 HIS HA 1 123 HIS HB3 3.000 . 3.700 2.386 2.288 2.479 . 0 0 "[ . 1]" 1
553 1 126 ILE CD1 1 126 ILE H 3.000 . 5.200 4.546 3.553 4.942 . 0 0 "[ . 1]" 1
554 1 126 ILE CD1 1 126 ILE HA 3.000 . 5.200 3.679 3.044 4.058 . 0 0 "[ . 1]" 1
555 1 128 ARG CD 1 128 ARG HA 3.000 . 4.700 3.976 2.526 4.644 . 0 0 "[ . 1]" 1
556 1 129 TYR CB 1 129 TYR H 2.500 . 3.700 2.470 2.458 2.488 . 0 0 "[ . 1]" 1
557 1 129 TYR CG 1 129 TYR H 3.000 . 4.700 3.948 3.874 3.980 . 0 0 "[ . 1]" 1
558 1 131 HIS CB 1 131 HIS H 2.500 . 3.700 2.475 2.463 2.514 . 0 0 "[ . 1]" 1
559 1 134 THR CG2 1 134 THR H 2.500 . 4.200 3.198 2.518 4.240 0.040 5 0 "[ . 1]" 1
560 1 136 ASP H 1 136 ASP HA 2.500 . 2.700 2.822 2.788 2.924 0.224 6 0 "[ . 1]" 1
561 1 136 ASP CB 1 136 ASP H 2.500 . 3.700 2.632 2.455 3.072 . 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 70
_Distance_constraint_stats_list.Viol_count 95
_Distance_constraint_stats_list.Viol_total 20.235
_Distance_constraint_stats_list.Viol_max 0.072
_Distance_constraint_stats_list.Viol_rms 0.0094
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0213
_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 14 ALA 0.137 0.050 1 0 "[ . 1]"
1 15 GLY 0.012 0.012 8 0 "[ . 1]"
1 16 LEU 0.103 0.050 1 0 "[ . 1]"
1 17 ALA 0.000 0.000 . 0 "[ . 1]"
1 18 THR 0.223 0.050 1 0 "[ . 1]"
1 19 ALA 0.012 0.012 8 0 "[ . 1]"
1 20 ALA 0.103 0.050 1 0 "[ . 1]"
1 21 ALA 0.000 0.000 . 0 "[ . 1]"
1 22 ARG 0.087 0.034 1 0 "[ . 1]"
1 25 VAL 0.000 0.000 . 0 "[ . 1]"
1 26 GLU 0.000 0.000 . 0 "[ . 1]"
1 27 THR 0.052 0.037 6 0 "[ . 1]"
1 28 VAL 0.000 0.000 . 0 "[ . 1]"
1 29 ARG 0.102 0.044 6 0 "[ . 1]"
1 30 GLN 0.016 0.016 2 0 "[ . 1]"
1 31 LEU 0.052 0.037 6 0 "[ . 1]"
1 32 LEU 0.000 0.000 . 0 "[ . 1]"
1 33 GLU 0.102 0.044 6 0 "[ . 1]"
1 34 ALA 0.016 0.016 2 0 "[ . 1]"
1 57 ALA 0.000 0.000 . 0 "[ . 1]"
1 58 GLN 0.253 0.072 1 0 "[ . 1]"
1 59 VAL 0.062 0.022 6 0 "[ . 1]"
1 60 ALA 0.043 0.020 9 0 "[ . 1]"
1 61 GLU 0.000 0.000 . 0 "[ . 1]"
1 62 LEU 0.422 0.072 1 0 "[ . 1]"
1 63 LEU 0.062 0.022 6 0 "[ . 1]"
1 64 LEU 0.043 0.020 9 0 "[ . 1]"
1 65 LEU 0.000 0.000 . 0 "[ . 1]"
1 66 HIS 0.169 0.059 1 0 "[ . 1]"
1 82 VAL 0.008 0.006 1 0 "[ . 1]"
1 83 HIS 0.020 0.020 9 0 "[ . 1]"
1 84 ASP 0.181 0.063 7 0 "[ . 1]"
1 86 ALA 0.008 0.006 1 0 "[ . 1]"
1 87 ARG 0.020 0.020 9 0 "[ . 1]"
1 88 GLU 0.181 0.063 7 0 "[ . 1]"
1 91 LEU 0.000 0.000 . 0 "[ . 1]"
1 92 ASP 0.042 0.031 3 0 "[ . 1]"
1 93 THR 0.000 0.000 . 0 "[ . 1]"
1 94 LEU 0.024 0.024 3 0 "[ . 1]"
1 95 VAL 0.000 0.000 . 0 "[ . 1]"
1 96 VAL 0.067 0.031 3 0 "[ . 1]"
1 97 LEU 0.000 0.000 . 0 "[ . 1]"
1 98 HIS 0.024 0.024 3 0 "[ . 1]"
1 99 ARG 0.000 0.000 . 0 "[ . 1]"
1 100 ALA 0.026 0.014 1 0 "[ . 1]"
1 115 VAL 0.098 0.030 3 0 "[ . 1]"
1 116 ASP 0.017 0.017 8 0 "[ . 1]"
1 117 LEU 0.079 0.062 9 0 "[ . 1]"
1 119 GLU 0.098 0.030 3 0 "[ . 1]"
1 120 GLU 0.017 0.017 8 0 "[ . 1]"
1 121 GLN 0.079 0.062 9 0 "[ . 1]"
1 124 ARG 0.028 0.026 9 0 "[ . 1]"
1 125 ASP 0.228 0.053 5 0 "[ . 1]"
1 126 ILE 0.000 0.000 . 0 "[ . 1]"
1 127 ALA 0.000 0.000 . 0 "[ . 1]"
1 128 ARG 0.150 0.042 9 0 "[ . 1]"
1 129 TYR 0.345 0.053 5 0 "[ . 1]"
1 130 LEU 0.000 0.000 . 0 "[ . 1]"
1 131 HIS 0.000 0.000 . 0 "[ . 1]"
1 132 ALA 0.122 0.042 9 0 "[ . 1]"
1 133 ALA 0.117 0.050 9 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 14 ALA O 1 18 THR N 3.300 2.500 3.500 3.268 2.842 3.489 . 0 0 "[ . 1]" 2
2 1 15 GLY O 1 19 ALA N 3.300 2.500 3.500 2.983 2.625 3.432 . 0 0 "[ . 1]" 2
3 1 16 LEU O 1 20 ALA N 3.300 2.500 3.500 3.167 2.660 3.476 . 0 0 "[ . 1]" 2
4 1 17 ALA O 1 21 ALA N 3.300 2.500 3.500 2.893 2.594 3.111 . 0 0 "[ . 1]" 2
5 1 18 THR O 1 22 ARG N 3.300 2.500 3.500 3.197 2.945 3.365 . 0 0 "[ . 1]" 2
6 1 25 VAL O 1 29 ARG N 3.300 2.500 3.500 2.763 2.592 3.087 . 0 0 "[ . 1]" 2
7 1 26 GLU O 1 30 GLN N 3.300 2.500 3.500 3.171 2.913 3.425 . 0 0 "[ . 1]" 2
8 1 27 THR O 1 31 LEU N 3.300 2.500 3.500 3.163 2.661 3.491 . 0 0 "[ . 1]" 2
9 1 28 VAL O 1 32 LEU N 3.300 2.500 3.500 3.116 2.928 3.234 . 0 0 "[ . 1]" 2
10 1 29 ARG O 1 33 GLU N 3.300 2.500 3.500 3.295 2.767 3.446 . 0 0 "[ . 1]" 2
11 1 30 GLN O 1 34 ALA N 3.300 2.500 3.500 2.854 2.568 3.190 . 0 0 "[ . 1]" 2
12 1 57 ALA O 1 61 GLU N 3.300 2.500 3.500 2.943 2.640 3.214 . 0 0 "[ . 1]" 2
13 1 58 GLN O 1 62 LEU N 3.300 2.500 3.500 3.412 3.321 3.508 0.008 6 0 "[ . 1]" 2
14 1 59 VAL O 1 63 LEU N 3.300 2.500 3.500 3.362 3.148 3.467 . 0 0 "[ . 1]" 2
15 1 60 ALA O 1 64 LEU N 3.300 2.500 3.500 3.208 2.879 3.377 . 0 0 "[ . 1]" 2
16 1 61 GLU O 1 65 LEU N 3.300 2.500 3.500 2.902 2.711 3.202 . 0 0 "[ . 1]" 2
17 1 62 LEU O 1 66 HIS N 3.300 2.500 3.500 3.251 2.996 3.390 . 0 0 "[ . 1]" 2
18 1 82 VAL O 1 86 ALA N 3.300 2.500 3.500 3.126 2.997 3.316 . 0 0 "[ . 1]" 2
19 1 83 HIS O 1 87 ARG N 3.300 2.500 3.500 2.785 2.581 3.130 . 0 0 "[ . 1]" 2
20 1 84 ASP O 1 88 GLU N 3.300 2.500 3.500 3.322 3.136 3.442 . 0 0 "[ . 1]" 2
21 1 91 LEU O 1 95 VAL N 3.300 2.500 3.500 3.089 2.912 3.279 . 0 0 "[ . 1]" 2
22 1 92 ASP O 1 96 VAL N 3.300 2.500 3.500 3.281 2.941 3.473 . 0 0 "[ . 1]" 2
23 1 93 THR O 1 97 LEU N 3.300 2.500 3.500 3.067 2.907 3.184 . 0 0 "[ . 1]" 2
24 1 94 LEU O 1 98 HIS N 3.300 2.500 3.500 3.173 3.053 3.332 . 0 0 "[ . 1]" 2
25 1 95 VAL O 1 99 ARG N 3.300 2.500 3.500 2.751 2.547 3.204 . 0 0 "[ . 1]" 2
26 1 96 VAL O 1 100 ALA N 3.300 2.500 3.500 3.094 2.748 3.296 . 0 0 "[ . 1]" 2
27 1 115 VAL O 1 119 GLU N 3.300 2.500 3.500 3.332 2.942 3.476 . 0 0 "[ . 1]" 2
28 1 116 ASP O 1 120 GLU N 3.300 2.500 3.500 3.104 2.878 3.332 . 0 0 "[ . 1]" 2
29 1 117 LEU O 1 121 GLN N 3.300 2.500 3.500 3.271 2.727 3.494 . 0 0 "[ . 1]" 2
30 1 124 ARG O 1 128 ARG N 3.300 2.500 3.500 3.108 2.895 3.496 . 0 0 "[ . 1]" 2
31 1 125 ASP O 1 129 TYR N 3.300 2.500 3.500 3.447 3.247 3.508 0.008 7 0 "[ . 1]" 2
32 1 126 ILE O 1 130 LEU N 3.300 2.500 3.500 2.864 2.674 3.118 . 0 0 "[ . 1]" 2
33 1 127 ALA O 1 131 HIS N 3.300 2.500 3.500 2.872 2.560 3.272 . 0 0 "[ . 1]" 2
34 1 128 ARG O 1 132 ALA N 3.300 2.500 3.500 3.272 2.925 3.393 . 0 0 "[ . 1]" 2
35 1 129 TYR O 1 133 ALA N 3.300 2.500 3.500 3.174 2.857 3.351 . 0 0 "[ . 1]" 2
36 1 14 ALA O 1 18 THR H 2.300 . 2.500 2.327 1.863 2.550 0.050 1 0 "[ . 1]" 2
37 1 15 GLY O 1 19 ALA H 2.300 . 2.500 2.056 1.709 2.512 0.012 8 0 "[ . 1]" 2
38 1 16 LEU O 1 20 ALA H 2.300 . 2.500 2.346 1.816 2.550 0.050 1 0 "[ . 1]" 2
39 1 17 ALA O 1 21 ALA H 2.300 . 2.500 1.987 1.634 2.297 . 0 0 "[ . 1]" 2
40 1 18 THR O 1 22 ARG H 2.300 . 2.500 2.381 2.040 2.534 0.034 1 0 "[ . 1]" 2
41 1 25 VAL O 1 29 ARG H 2.300 . 2.500 1.904 1.690 2.318 . 0 0 "[ . 1]" 2
42 1 26 GLU O 1 30 GLN H 2.300 . 2.500 2.281 2.064 2.496 . 0 0 "[ . 1]" 2
43 1 27 THR O 1 31 LEU H 2.300 . 2.500 2.226 1.694 2.537 0.037 6 0 "[ . 1]" 2
44 1 28 VAL O 1 32 LEU H 2.300 . 2.500 2.216 1.959 2.425 . 0 0 "[ . 1]" 2
45 1 29 ARG O 1 33 GLU H 2.300 . 2.500 2.404 1.997 2.544 0.044 6 0 "[ . 1]" 2
46 1 30 GLN O 1 34 ALA H 2.300 . 2.500 2.232 1.803 2.516 0.016 2 0 "[ . 1]" 2
47 1 57 ALA O 1 61 GLU H 2.300 . 2.500 2.014 1.772 2.281 . 0 0 "[ . 1]" 2
48 1 58 GLN O 1 62 LEU H 2.300 . 2.500 2.519 2.452 2.572 0.072 1 0 "[ . 1]" 2
49 1 59 VAL O 1 63 LEU H 2.300 . 2.500 2.420 2.267 2.522 0.022 6 0 "[ . 1]" 2
50 1 60 ALA O 1 64 LEU H 2.300 . 2.500 2.339 1.998 2.520 0.020 9 0 "[ . 1]" 2
51 1 61 GLU O 1 65 LEU H 2.300 . 2.500 2.000 1.764 2.263 . 0 0 "[ . 1]" 2
52 1 62 LEU O 1 66 HIS H 2.300 . 2.500 2.408 2.099 2.559 0.059 1 0 "[ . 1]" 2
53 1 82 VAL O 1 86 ALA H 2.300 . 2.500 2.376 2.180 2.506 0.006 1 0 "[ . 1]" 2
54 1 83 HIS O 1 87 ARG H 2.300 . 2.500 1.981 1.642 2.520 0.020 9 0 "[ . 1]" 2
55 1 84 ASP O 1 88 GLU H 2.300 . 2.500 2.499 2.329 2.563 0.063 7 0 "[ . 1]" 2
56 1 91 LEU O 1 95 VAL H 2.300 . 2.500 2.142 2.002 2.345 . 0 0 "[ . 1]" 2
57 1 92 ASP O 1 96 VAL H 2.300 . 2.500 2.330 1.990 2.531 0.031 3 0 "[ . 1]" 2
58 1 93 THR O 1 97 LEU H 2.300 . 2.500 2.113 1.952 2.222 . 0 0 "[ . 1]" 2
59 1 94 LEU O 1 98 HIS H 2.300 . 2.500 2.227 2.074 2.524 0.024 3 0 "[ . 1]" 2
60 1 95 VAL O 1 99 ARG H 2.300 . 2.500 1.945 1.604 2.288 . 0 0 "[ . 1]" 2
61 1 96 VAL O 1 100 ALA H 2.300 . 2.500 2.334 1.792 2.514 0.014 1 0 "[ . 1]" 2
62 1 115 VAL O 1 119 GLU H 2.300 . 2.500 2.397 2.026 2.530 0.030 3 0 "[ . 1]" 2
63 1 116 ASP O 1 120 GLU H 2.300 . 2.500 2.282 2.011 2.517 0.017 8 0 "[ . 1]" 2
64 1 117 LEU O 1 121 GLN H 2.300 . 2.500 2.360 1.799 2.562 0.062 9 0 "[ . 1]" 2
65 1 124 ARG O 1 128 ARG H 2.300 . 2.500 2.195 1.927 2.526 0.026 9 0 "[ . 1]" 2
66 1 125 ASP O 1 129 TYR H 2.300 . 2.500 2.493 2.310 2.553 0.053 5 0 "[ . 1]" 2
67 1 126 ILE O 1 130 LEU H 2.300 . 2.500 1.990 1.792 2.281 . 0 0 "[ . 1]" 2
68 1 127 ALA O 1 131 HIS H 2.300 . 2.500 1.929 1.601 2.316 . 0 0 "[ . 1]" 2
69 1 128 ARG O 1 132 ALA H 2.300 . 2.500 2.459 2.096 2.542 0.042 9 0 "[ . 1]" 2
70 1 129 TYR O 1 133 ALA H 2.300 . 2.500 2.400 1.924 2.550 0.050 9 0 "[ . 1]" 2
stop_
save_
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