NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
398363 |
1ti3   |
6079 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ti3
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 1062
_Distance_constraint_stats_list.Viol_count 758
_Distance_constraint_stats_list.Viol_total 464.567
_Distance_constraint_stats_list.Viol_max 0.157
_Distance_constraint_stats_list.Viol_rms 0.0073
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0306
_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 3 GLU 0.179 0.071 18 0 "[ . 1 . 2]"
1 4 GLY 0.584 0.074 6 0 "[ . 1 . 2]"
1 5 GLN 0.939 0.085 7 0 "[ . 1 . 2]"
1 6 VAL 0.153 0.039 17 0 "[ . 1 . 2]"
1 7 ILE 0.142 0.044 9 0 "[ . 1 . 2]"
1 8 ALA 0.046 0.034 15 0 "[ . 1 . 2]"
1 9 CYS 0.251 0.041 18 0 "[ . 1 . 2]"
1 10 HIS 0.306 0.069 19 0 "[ . 1 . 2]"
1 11 THR 0.307 0.059 2 0 "[ . 1 . 2]"
1 12 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASP 0.311 0.061 11 0 "[ . 1 . 2]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 TRP 0.485 0.061 11 0 "[ . 1 . 2]"
1 16 LYS 0.050 0.027 20 0 "[ . 1 . 2]"
1 17 GLU 0.116 0.036 19 0 "[ . 1 . 2]"
1 18 HIS 0.299 0.080 19 0 "[ . 1 . 2]"
1 19 PHE 0.230 0.080 19 0 "[ . 1 . 2]"
1 20 GLU 0.057 0.030 10 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LYS 0.859 0.133 17 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 SER 0.921 0.133 17 0 "[ . 1 . 2]"
1 26 GLN 0.020 0.020 17 0 "[ . 1 . 2]"
1 27 LYS 0.530 0.084 11 0 "[ . 1 . 2]"
1 28 LEU 0.316 0.069 8 0 "[ . 1 . 2]"
1 29 ILE 0.074 0.030 17 0 "[ . 1 . 2]"
1 30 VAL 0.585 0.079 10 0 "[ . 1 . 2]"
1 31 VAL 0.168 0.070 12 0 "[ . 1 . 2]"
1 32 ASP 0.036 0.018 18 0 "[ . 1 . 2]"
1 33 PHE 0.371 0.083 8 0 "[ . 1 . 2]"
1 34 THR 0.071 0.068 11 0 "[ . 1 . 2]"
1 35 ALA 0.249 0.079 11 0 "[ . 1 . 2]"
1 36 SER 0.055 0.055 14 0 "[ . 1 . 2]"
1 37 TRP 0.130 0.058 8 0 "[ . 1 . 2]"
1 38 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 CYS 0.005 0.005 20 0 "[ . 1 . 2]"
1 42 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 MET 0.220 0.056 11 0 "[ . 1 . 2]"
1 44 ILE 0.189 0.040 3 0 "[ . 1 . 2]"
1 45 ALA 0.189 0.040 3 0 "[ . 1 . 2]"
1 46 PRO 0.247 0.072 6 0 "[ . 1 . 2]"
1 47 ILE 0.058 0.025 19 0 "[ . 1 . 2]"
1 48 PHE 0.044 0.035 10 0 "[ . 1 . 2]"
1 49 ALA 0.256 0.072 6 0 "[ . 1 . 2]"
1 50 GLU 0.217 0.066 6 0 "[ . 1 . 2]"
1 51 LEU 0.119 0.035 1 0 "[ . 1 . 2]"
1 52 ALA 0.210 0.066 6 0 "[ . 1 . 2]"
1 53 LYS 0.170 0.062 14 0 "[ . 1 . 2]"
1 54 LYS 1.225 0.088 18 0 "[ . 1 . 2]"
1 55 PHE 0.857 0.088 18 0 "[ . 1 . 2]"
1 56 PRO 0.744 0.119 6 0 "[ . 1 . 2]"
1 57 ASN 0.448 0.119 6 0 "[ . 1 . 2]"
1 58 VAL 0.245 0.089 1 0 "[ . 1 . 2]"
1 59 THR 0.131 0.032 16 0 "[ . 1 . 2]"
1 60 PHE 0.691 0.084 18 0 "[ . 1 . 2]"
1 61 LEU 0.621 0.084 18 0 "[ . 1 . 2]"
1 62 LYS 0.373 0.059 14 0 "[ . 1 . 2]"
1 63 VAL 0.170 0.054 15 0 "[ . 1 . 2]"
1 64 ASP 0.068 0.030 7 0 "[ . 1 . 2]"
1 65 VAL 0.119 0.042 15 0 "[ . 1 . 2]"
1 66 ASP 0.032 0.020 17 0 "[ . 1 . 2]"
1 67 GLU 0.045 0.042 2 0 "[ . 1 . 2]"
1 68 LEU 1.136 0.123 13 0 "[ . 1 . 2]"
1 69 LYS 0.143 0.051 11 0 "[ . 1 . 2]"
1 70 ALA 0.670 0.123 13 0 "[ . 1 . 2]"
1 71 VAL 0.025 0.025 2 0 "[ . 1 . 2]"
1 72 ALA 0.052 0.052 19 0 "[ . 1 . 2]"
1 73 GLU 0.050 0.031 18 0 "[ . 1 . 2]"
1 74 GLU 0.248 0.071 9 0 "[ . 1 . 2]"
1 75 TRP 0.684 0.128 11 0 "[ . 1 . 2]"
1 76 ASN 0.061 0.026 12 0 "[ . 1 . 2]"
1 77 VAL 0.449 0.083 1 0 "[ . 1 . 2]"
1 78 GLU 0.278 0.082 11 0 "[ . 1 . 2]"
1 79 ALA 0.183 0.077 6 0 "[ . 1 . 2]"
1 80 MET 0.899 0.157 16 0 "[ . 1 . 2]"
1 81 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 THR 1.075 0.157 16 0 "[ . 1 . 2]"
1 83 PHE 0.330 0.069 2 0 "[ . 1 . 2]"
1 84 ILE 0.325 0.071 3 0 "[ . 1 . 2]"
1 85 PHE 0.389 0.058 12 0 "[ . 1 . 2]"
1 86 LEU 0.751 0.152 11 0 "[ . 1 . 2]"
1 87 LYS 0.614 0.057 14 0 "[ . 1 . 2]"
1 88 ASP 0.332 0.059 1 0 "[ . 1 . 2]"
1 89 GLY 0.028 0.028 20 0 "[ . 1 . 2]"
1 90 LYS 0.338 0.059 1 0 "[ . 1 . 2]"
1 91 LEU 0.304 0.059 11 0 "[ . 1 . 2]"
1 92 VAL 0.177 0.053 15 0 "[ . 1 . 2]"
1 93 ASP 0.091 0.042 7 0 "[ . 1 . 2]"
1 94 LYS 0.594 0.089 16 0 "[ . 1 . 2]"
1 95 THR 0.487 0.063 7 0 "[ . 1 . 2]"
1 96 VAL 0.397 0.084 3 0 "[ . 1 . 2]"
1 97 GLY 0.050 0.050 17 0 "[ . 1 . 2]"
1 98 ALA 0.050 0.050 17 0 "[ . 1 . 2]"
1 99 ASP 0.199 0.084 11 0 "[ . 1 . 2]"
1 100 LYS 0.108 0.084 11 0 "[ . 1 . 2]"
1 101 ASP 0.154 0.055 1 0 "[ . 1 . 2]"
1 102 GLY 0.158 0.056 9 0 "[ . 1 . 2]"
1 103 LEU 0.078 0.038 3 0 "[ . 1 . 2]"
1 104 PRO 0.143 0.056 9 0 "[ . 1 . 2]"
1 105 THR 0.100 0.034 8 0 "[ . 1 . 2]"
1 106 LEU 0.129 0.046 18 0 "[ . 1 . 2]"
1 107 VAL 0.634 0.103 17 0 "[ . 1 . 2]"
1 108 ALA 0.040 0.040 19 0 "[ . 1 . 2]"
1 109 LYS 0.158 0.054 8 0 "[ . 1 . 2]"
1 110 HIS 0.515 0.089 9 0 "[ . 1 . 2]"
1 111 ALA 0.012 0.012 7 0 "[ . 1 . 2]"
1 112 THR 0.046 0.021 1 0 "[ . 1 . 2]"
1 113 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
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 4 GLY H 1 5 GLN H . . 5.500 4.557 4.100 4.784 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLU QG 1 4 GLY H . . 4.000 3.413 3.225 3.576 . 0 0 "[ . 1 . 2]" 1
3 1 3 GLU HB2 1 4 GLY H . . 3.500 2.099 1.935 2.270 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLU HB3 1 4 GLY H . . 3.500 3.461 3.352 3.571 0.071 18 0 "[ . 1 . 2]" 1
5 1 4 GLY QA 1 5 GLN H . . 5.500 2.248 2.124 2.390 . 0 0 "[ . 1 . 2]" 1
6 1 4 GLY QA 1 5 GLN HB3 . . 5.500 3.857 3.563 4.071 . 0 0 "[ . 1 . 2]" 1
7 1 4 GLY H 1 5 GLN HB3 . . 5.500 5.444 5.223 5.559 0.059 13 0 "[ . 1 . 2]" 1
8 1 5 GLN H 1 6 VAL H . . 4.500 3.988 3.602 4.330 . 0 0 "[ . 1 . 2]" 1
9 1 5 GLN H 1 5 GLN HA . . 3.000 2.982 2.855 3.069 0.069 16 0 "[ . 1 . 2]" 1
10 1 5 GLN H 1 5 GLN HG2 . . 4.500 2.667 2.201 3.123 . 0 0 "[ . 1 . 2]" 1
11 1 5 GLN H 1 5 GLN HG3 . . 4.500 3.853 3.513 4.450 . 0 0 "[ . 1 . 2]" 1
12 1 5 GLN H 1 5 GLN HB3 . . 4.000 3.301 3.107 3.544 . 0 0 "[ . 1 . 2]" 1
13 1 5 GLN H 1 5 GLN HB2 . . 4.000 3.984 3.825 4.085 0.085 7 0 "[ . 1 . 2]" 1
14 1 5 GLN HA 1 6 VAL H . . 2.500 2.066 1.922 2.237 . 0 0 "[ . 1 . 2]" 1
15 1 4 GLY QA 1 5 GLN HA . . 5.500 4.069 3.947 4.185 . 0 0 "[ . 1 . 2]" 1
16 1 5 GLN HA 1 5 GLN HG2 . . 4.500 3.842 3.619 3.989 . 0 0 "[ . 1 . 2]" 1
17 1 5 GLN HA 1 5 GLN HG3 . . 4.500 3.948 3.657 4.365 . 0 0 "[ . 1 . 2]" 1
18 1 5 GLN HA 1 6 VAL MG2 . . 5.500 3.699 3.249 4.173 . 0 0 "[ . 1 . 2]" 1
19 1 5 GLN H 1 52 ALA MB . . 5.500 3.241 2.931 3.736 . 0 0 "[ . 1 . 2]" 1
20 1 5 GLN HA 1 52 ALA MB . . 5.500 3.368 2.846 3.784 . 0 0 "[ . 1 . 2]" 1
21 1 5 GLN HB3 1 5 GLN HE22 . . 5.500 4.076 3.542 4.682 . 0 0 "[ . 1 . 2]" 1
22 1 6 VAL H 1 6 VAL HA . . 3.000 2.942 2.746 3.026 0.026 9 0 "[ . 1 . 2]" 1
23 1 6 VAL H 1 6 VAL HB . . 4.000 2.571 2.277 2.877 . 0 0 "[ . 1 . 2]" 1
24 1 6 VAL H 1 6 VAL MG2 . . 4.500 2.435 2.116 2.906 . 0 0 "[ . 1 . 2]" 1
25 1 6 VAL H 1 7 ILE H . . 5.500 4.335 4.030 4.599 . 0 0 "[ . 1 . 2]" 1
26 1 5 GLN HG2 1 6 VAL H . . 5.500 4.829 4.054 5.162 . 0 0 "[ . 1 . 2]" 1
27 1 5 GLN HG3 1 6 VAL H . . 5.500 4.521 3.896 4.950 . 0 0 "[ . 1 . 2]" 1
28 1 6 VAL HA 1 60 PHE H . . 5.500 4.015 3.817 4.315 . 0 0 "[ . 1 . 2]" 1
29 1 6 VAL HA 1 7 ILE H . . 2.500 2.055 1.874 2.229 . 0 0 "[ . 1 . 2]" 1
30 1 6 VAL HA 1 60 PHE HB2 . . 5.500 2.548 2.133 3.058 . 0 0 "[ . 1 . 2]" 1
31 1 6 VAL HA 1 60 PHE HB3 . . 5.500 3.183 2.833 3.773 . 0 0 "[ . 1 . 2]" 1
32 1 5 GLN HG2 1 6 VAL HA . . 5.500 5.326 4.333 5.539 0.039 17 0 "[ . 1 . 2]" 1
33 1 5 GLN HG3 1 6 VAL HA . . 5.500 4.932 4.482 5.505 0.005 3 0 "[ . 1 . 2]" 1
34 1 6 VAL H 1 52 ALA MB . . 5.500 3.534 3.107 4.013 . 0 0 "[ . 1 . 2]" 1
35 1 6 VAL MG2 1 52 ALA MB . . 6.500 2.284 2.032 2.602 . 0 0 "[ . 1 . 2]" 1
36 1 6 VAL MG2 1 49 ALA MB . . 6.500 2.814 2.286 3.072 . 0 0 "[ . 1 . 2]" 1
37 1 6 VAL MG2 1 52 ALA H . . 5.500 4.112 3.778 4.403 . 0 0 "[ . 1 . 2]" 1
38 1 5 GLN H 1 6 VAL MG2 . . 5.500 4.337 3.980 4.480 . 0 0 "[ . 1 . 2]" 1
39 1 6 VAL MG2 1 7 ILE H . . 5.500 4.109 3.875 4.411 . 0 0 "[ . 1 . 2]" 1
40 1 6 VAL MG2 1 60 PHE HB2 . . 5.500 2.384 2.200 2.625 . 0 0 "[ . 1 . 2]" 1
41 1 6 VAL MG2 1 60 PHE HB3 . . 5.500 2.429 2.136 2.911 . 0 0 "[ . 1 . 2]" 1
42 1 6 VAL MG2 1 49 ALA HA . . 5.500 2.385 2.091 2.735 . 0 0 "[ . 1 . 2]" 1
43 1 6 VAL H 1 49 ALA MB . . 6.000 4.822 4.646 4.972 . 0 0 "[ . 1 . 2]" 1
44 1 7 ILE H 1 62 LYS H . . 5.500 4.206 3.878 4.536 . 0 0 "[ . 1 . 2]" 1
45 1 7 ILE H 1 61 LEU HA . . 5.500 2.486 2.253 2.702 . 0 0 "[ . 1 . 2]" 1
46 1 7 ILE H 1 7 ILE HA . . 3.000 2.978 2.897 3.044 0.044 9 0 "[ . 1 . 2]" 1
47 1 7 ILE H 1 7 ILE HB . . 4.000 2.888 2.523 3.120 . 0 0 "[ . 1 . 2]" 1
48 1 7 ILE H 1 7 ILE MD . . 5.500 4.502 4.312 4.595 . 0 0 "[ . 1 . 2]" 1
49 1 6 VAL HB 1 7 ILE H . . 5.500 4.227 3.982 4.455 . 0 0 "[ . 1 . 2]" 1
50 1 5 GLN QG 1 7 ILE H . . 6.000 4.654 4.110 5.313 . 0 0 "[ . 1 . 2]" 1
51 1 7 ILE H 1 7 ILE HG12 . . 5.500 4.699 4.547 4.952 . 0 0 "[ . 1 . 2]" 1
52 1 7 ILE H 1 7 ILE HG13 . . 5.500 5.004 4.690 5.201 . 0 0 "[ . 1 . 2]" 1
53 1 7 ILE HB 1 61 LEU HA . . 5.500 4.641 4.277 5.043 . 0 0 "[ . 1 . 2]" 1
54 1 7 ILE MG 1 61 LEU HA . . 5.500 2.744 2.204 3.080 . 0 0 "[ . 1 . 2]" 1
55 1 7 ILE MG 1 9 CYS H . . 6.500 5.048 4.773 5.288 . 0 0 "[ . 1 . 2]" 1
56 1 7 ILE MG 1 8 ALA H . . 5.500 4.004 3.779 4.202 . 0 0 "[ . 1 . 2]" 1
57 1 7 ILE H 1 60 PHE HB2 . . 5.500 4.268 3.795 4.681 . 0 0 "[ . 1 . 2]" 1
58 1 7 ILE MD 1 9 CYS H . . 6.000 4.642 4.229 4.873 . 0 0 "[ . 1 . 2]" 1
59 1 8 ALA H 1 8 ALA HA . . 3.000 2.915 2.713 3.034 0.034 15 0 "[ . 1 . 2]" 1
60 1 7 ILE HA 1 8 ALA H . . 2.500 2.068 1.928 2.300 . 0 0 "[ . 1 . 2]" 1
61 1 8 ALA H 1 9 CYS H . . 5.500 4.549 4.432 4.701 . 0 0 "[ . 1 . 2]" 1
62 1 7 ILE HB 1 8 ALA H . . 5.500 4.370 4.142 4.678 . 0 0 "[ . 1 . 2]" 1
63 1 8 ALA HA 1 62 LYS H . . 5.500 3.635 3.304 3.897 . 0 0 "[ . 1 . 2]" 1
64 1 7 ILE HA 1 8 ALA MB . . 5.500 3.936 3.767 4.112 . 0 0 "[ . 1 . 2]" 1
65 1 8 ALA MB 1 9 CYS H . . 5.500 2.942 2.399 3.316 . 0 0 "[ . 1 . 2]" 1
66 1 7 ILE MD 1 8 ALA H . . 5.500 2.433 2.004 2.857 . 0 0 "[ . 1 . 2]" 1
67 1 9 CYS H 1 62 LYS H . . 5.500 3.771 3.270 4.280 . 0 0 "[ . 1 . 2]" 1
68 1 8 ALA HA 1 9 CYS H . . 2.500 2.052 1.899 2.301 . 0 0 "[ . 1 . 2]" 1
69 1 9 CYS H 1 9 CYS HA . . 3.000 3.004 2.944 3.041 0.041 18 0 "[ . 1 . 2]" 1
70 1 9 CYS H 1 64 ASP H . . 5.500 4.098 3.827 4.342 . 0 0 "[ . 1 . 2]" 1
71 1 9 CYS HA 1 14 THR MG . . 5.500 4.419 4.077 4.565 . 0 0 "[ . 1 . 2]" 1
72 1 9 CYS HB2 1 63 VAL MG2 . . 5.500 2.488 2.005 2.725 . 0 0 "[ . 1 . 2]" 1
73 1 9 CYS HB3 1 63 VAL MG2 . . 5.500 2.526 2.158 3.028 . 0 0 "[ . 1 . 2]" 1
74 1 9 CYS HB2 1 68 LEU MD1 . . 5.500 4.484 4.294 4.602 . 0 0 "[ . 1 . 2]" 1
75 1 9 CYS HB3 1 68 LEU MD1 . . 5.500 3.656 3.408 4.011 . 0 0 "[ . 1 . 2]" 1
76 1 9 CYS H 1 63 VAL HA . . 5.500 3.646 3.306 3.897 . 0 0 "[ . 1 . 2]" 1
77 1 10 HIS H 1 11 THR H . . 5.500 2.195 1.945 2.542 . 0 0 "[ . 1 . 2]" 1
78 1 10 HIS H 1 10 HIS HA . . 3.000 2.992 2.862 3.069 0.069 19 0 "[ . 1 . 2]" 1
79 1 10 HIS H 1 10 HIS HB2 . . 4.000 2.803 2.565 3.112 . 0 0 "[ . 1 . 2]" 1
80 1 10 HIS H 1 10 HIS HB3 . . 4.000 3.889 3.724 4.017 0.017 7 0 "[ . 1 . 2]" 1
81 1 10 HIS HB2 1 11 THR MG . . 5.500 2.810 2.370 3.513 . 0 0 "[ . 1 . 2]" 1
82 1 10 HIS HB3 1 11 THR MG . . 5.500 2.672 2.021 3.291 . 0 0 "[ . 1 . 2]" 1
83 1 11 THR H 1 12 VAL H . . 5.500 4.400 4.169 4.613 . 0 0 "[ . 1 . 2]" 1
84 1 11 THR H 1 11 THR HA . . 3.000 2.982 2.871 3.059 0.059 2 0 "[ . 1 . 2]" 1
85 1 11 THR H 1 11 THR HB . . 4.000 3.917 3.682 4.044 0.044 2 0 "[ . 1 . 2]" 1
86 1 10 HIS HA 1 11 THR H . . 5.500 3.489 3.317 3.624 . 0 0 "[ . 1 . 2]" 1
87 1 10 HIS HB3 1 11 THR H . . 5.500 3.980 3.452 4.382 . 0 0 "[ . 1 . 2]" 1
88 1 10 HIS HB2 1 11 THR H . . 5.500 3.264 2.560 3.808 . 0 0 "[ . 1 . 2]" 1
89 1 11 THR H 1 14 THR HB . . 5.500 3.594 3.083 4.437 . 0 0 "[ . 1 . 2]" 1
90 1 9 CYS HB3 1 11 THR H . . 5.500 4.284 3.806 4.680 . 0 0 "[ . 1 . 2]" 1
91 1 11 THR H 1 14 THR MG . . 5.500 3.420 2.800 3.947 . 0 0 "[ . 1 . 2]" 1
92 1 11 THR HA 1 11 THR HB . . 3.000 2.524 2.327 2.871 . 0 0 "[ . 1 . 2]" 1
93 1 11 THR HA 1 68 LEU MD2 . . 5.500 2.559 1.941 3.075 . 0 0 "[ . 1 . 2]" 1
94 1 11 THR HA 1 13 ASP H . . 5.500 4.205 4.033 4.372 . 0 0 "[ . 1 . 2]" 1
95 1 11 THR H 1 14 THR H . . 5.500 3.165 2.923 3.596 . 0 0 "[ . 1 . 2]" 1
96 1 11 THR H 1 13 ASP H . . 5.700 3.784 3.544 4.157 . 0 0 "[ . 1 . 2]" 1
97 1 11 THR H 1 68 LEU MD1 . . 5.500 2.816 2.385 3.330 . 0 0 "[ . 1 . 2]" 1
98 1 11 THR H 1 15 TRP H . . 5.500 5.277 4.843 5.509 0.009 11 0 "[ . 1 . 2]" 1
99 1 12 VAL H 1 13 ASP H . . 3.500 2.881 2.453 3.174 . 0 0 "[ . 1 . 2]" 1
100 1 12 VAL H 1 14 THR H . . 5.500 4.827 4.445 5.248 . 0 0 "[ . 1 . 2]" 1
101 1 11 THR HA 1 12 VAL H . . 3.500 2.657 2.353 2.811 . 0 0 "[ . 1 . 2]" 1
102 1 12 VAL H 1 12 VAL HB . . 3.500 2.571 2.182 2.765 . 0 0 "[ . 1 . 2]" 1
103 1 11 THR MG 1 12 VAL H . . 5.500 3.620 3.269 3.852 . 0 0 "[ . 1 . 2]" 1
104 1 11 THR HB 1 12 VAL H . . 4.000 2.085 1.615 2.696 . 0 0 "[ . 1 . 2]" 1
105 1 12 VAL HA 1 68 LEU MD1 . . 5.500 4.307 4.121 4.434 . 0 0 "[ . 1 . 2]" 1
106 1 12 VAL HA 1 68 LEU MD2 . . 5.500 3.821 3.642 4.192 . 0 0 "[ . 1 . 2]" 1
107 1 12 VAL HA 1 15 TRP HB3 . . 5.500 4.187 3.747 4.693 . 0 0 "[ . 1 . 2]" 1
108 1 12 VAL HA 1 15 TRP HB2 . . 4.000 2.556 2.162 2.953 . 0 0 "[ . 1 . 2]" 1
109 1 12 VAL HA 1 15 TRP H . . 3.500 2.952 2.588 3.171 . 0 0 "[ . 1 . 2]" 1
110 1 12 VAL HA 1 13 ASP H . . 4.000 3.289 3.067 3.474 . 0 0 "[ . 1 . 2]" 1
111 1 12 VAL HA 1 16 LYS H . . 5.500 4.567 4.315 4.798 . 0 0 "[ . 1 . 2]" 1
112 1 12 VAL HB 1 13 ASP H . . 4.500 4.328 4.151 4.477 . 0 0 "[ . 1 . 2]" 1
113 1 12 VAL MG2 1 13 ASP H . . 5.500 4.120 3.929 4.290 . 0 0 "[ . 1 . 2]" 1
114 1 12 VAL MG1 1 13 ASP H . . 5.500 3.028 2.785 3.281 . 0 0 "[ . 1 . 2]" 1
115 1 12 VAL H 1 15 TRP H . . 5.500 5.230 4.958 5.361 . 0 0 "[ . 1 . 2]" 1
116 1 12 VAL H 1 68 LEU MD1 . . 6.000 4.497 4.116 4.771 . 0 0 "[ . 1 . 2]" 1
117 1 12 VAL H 1 68 LEU MD2 . . 5.500 3.588 3.292 4.243 . 0 0 "[ . 1 . 2]" 1
118 1 13 ASP H 1 13 ASP HA . . 3.000 2.933 2.777 3.027 0.027 15 0 "[ . 1 . 2]" 1
119 1 11 THR HB 1 13 ASP H . . 4.000 3.120 2.614 3.706 . 0 0 "[ . 1 . 2]" 1
120 1 11 THR MG 1 13 ASP H . . 5.500 4.251 4.002 4.618 . 0 0 "[ . 1 . 2]" 1
121 1 12 VAL MG2 1 13 ASP HA . . 5.500 4.359 4.240 4.437 . 0 0 "[ . 1 . 2]" 1
122 1 13 ASP HA 1 16 LYS HB2 . . 5.500 3.201 2.922 3.537 . 0 0 "[ . 1 . 2]" 1
123 1 13 ASP HA 1 16 LYS HB3 . . 5.500 4.793 4.449 5.108 . 0 0 "[ . 1 . 2]" 1
124 1 13 ASP HA 1 16 LYS H . . 5.500 3.419 3.087 3.794 . 0 0 "[ . 1 . 2]" 1
125 1 13 ASP H 1 15 TRP H . . 5.500 3.945 3.717 4.222 . 0 0 "[ . 1 . 2]" 1
126 1 13 ASP H 1 68 LEU MD1 . . 6.500 4.923 4.718 5.105 . 0 0 "[ . 1 . 2]" 1
127 1 13 ASP H 1 68 LEU MD2 . . 6.500 5.181 4.992 5.299 . 0 0 "[ . 1 . 2]" 1
128 1 14 THR H 1 16 LYS H . . 5.500 4.450 4.070 4.721 . 0 0 "[ . 1 . 2]" 1
129 1 13 ASP H 1 14 THR H . . 5.500 2.718 2.343 3.143 . 0 0 "[ . 1 . 2]" 1
130 1 14 THR H 1 15 TRP H . . 3.500 2.810 2.435 3.165 . 0 0 "[ . 1 . 2]" 1
131 1 14 THR H 1 14 THR HA . . 3.000 2.902 2.768 3.000 . 0 0 "[ . 1 . 2]" 1
132 1 14 THR H 1 14 THR HB . . 4.000 2.525 2.271 3.001 . 0 0 "[ . 1 . 2]" 1
133 1 12 VAL HA 1 14 THR H . . 5.500 4.116 3.665 4.679 . 0 0 "[ . 1 . 2]" 1
134 1 13 ASP HB2 1 14 THR H . . 5.500 2.764 2.268 3.250 . 0 0 "[ . 1 . 2]" 1
135 1 13 ASP HB3 1 14 THR H . . 5.500 3.461 3.143 3.841 . 0 0 "[ . 1 . 2]" 1
136 1 11 THR MG 1 14 THR H . . 6.500 5.305 5.084 5.469 . 0 0 "[ . 1 . 2]" 1
137 1 13 ASP HA 1 14 THR H . . 4.000 3.552 3.328 3.827 . 0 0 "[ . 1 . 2]" 1
138 1 11 THR HB 1 14 THR H . . 5.500 5.114 4.572 5.408 . 0 0 "[ . 1 . 2]" 1
139 1 14 THR HA 1 15 TRP H . . 4.000 3.461 3.349 3.602 . 0 0 "[ . 1 . 2]" 1
140 1 14 THR HA 1 17 GLU HB2 . . 5.500 2.175 2.015 2.376 . 0 0 "[ . 1 . 2]" 1
141 1 14 THR HA 1 17 GLU HB3 . . 5.500 3.860 3.509 4.125 . 0 0 "[ . 1 . 2]" 1
142 1 14 THR HA 1 17 GLU HG2 . . 5.500 4.550 3.942 4.950 . 0 0 "[ . 1 . 2]" 1
143 1 14 THR HA 1 17 GLU HG3 . . 5.500 3.318 2.453 4.068 . 0 0 "[ . 1 . 2]" 1
144 1 14 THR HB 1 15 TRP H . . 4.500 4.036 3.804 4.384 . 0 0 "[ . 1 . 2]" 1
145 1 15 TRP H 1 16 LYS H . . 3.500 2.744 2.428 3.181 . 0 0 "[ . 1 . 2]" 1
146 1 15 TRP H 1 18 HIS H . . 5.500 4.884 4.702 5.021 . 0 0 "[ . 1 . 2]" 1
147 1 15 TRP H 1 15 TRP HA . . 3.000 2.952 2.793 3.049 0.049 20 0 "[ . 1 . 2]" 1
148 1 15 TRP H 1 15 TRP HB2 . . 4.000 2.421 2.201 2.686 . 0 0 "[ . 1 . 2]" 1
149 1 15 TRP H 1 15 TRP HB3 . . 4.000 3.657 3.479 3.871 . 0 0 "[ . 1 . 2]" 1
150 1 13 ASP HB2 1 15 TRP H . . 5.500 5.160 4.924 5.450 . 0 0 "[ . 1 . 2]" 1
151 1 13 ASP HB3 1 15 TRP H . . 5.500 5.469 5.370 5.561 0.061 11 0 "[ . 1 . 2]" 1
152 1 14 THR MG 1 15 TRP H . . 5.500 2.623 2.295 2.974 . 0 0 "[ . 1 . 2]" 1
153 1 12 VAL MG2 1 15 TRP H . . 6.000 3.973 3.788 4.237 . 0 0 "[ . 1 . 2]" 1
154 1 15 TRP HA 1 16 LYS H . . 3.800 3.531 3.373 3.722 . 0 0 "[ . 1 . 2]" 1
155 1 15 TRP HB2 1 16 LYS H . . 5.500 2.927 2.761 3.368 . 0 0 "[ . 1 . 2]" 1
156 1 15 TRP HB3 1 16 LYS H . . 5.500 3.208 2.977 3.439 . 0 0 "[ . 1 . 2]" 1
157 1 15 TRP HE1 1 71 VAL MG2 . . 6.000 2.380 2.010 2.705 . 0 0 "[ . 1 . 2]" 1
158 1 15 TRP HE1 1 75 TRP HE1 . . 5.500 5.073 4.382 5.449 . 0 0 "[ . 1 . 2]" 1
159 1 15 TRP HE1 1 71 VAL MG1 . . 6.000 2.573 2.069 2.961 . 0 0 "[ . 1 . 2]" 1
160 1 12 VAL MG2 1 15 TRP HE1 . . 6.500 4.951 4.329 5.233 . 0 0 "[ . 1 . 2]" 1
161 1 14 THR MG 1 15 TRP HE1 . . 6.000 4.885 4.624 5.020 . 0 0 "[ . 1 . 2]" 1
162 1 15 TRP HZ2 1 75 TRP HE1 . . 5.500 5.315 4.683 5.558 0.058 18 0 "[ . 1 . 2]" 1
163 1 15 TRP HZ2 1 71 VAL MG1 . . 6.000 4.357 3.881 4.926 . 0 0 "[ . 1 . 2]" 1
164 1 15 TRP HZ2 1 71 VAL MG2 . . 6.000 2.325 2.096 2.713 . 0 0 "[ . 1 . 2]" 1
165 1 15 TRP H 1 68 LEU MD1 . . 6.500 4.422 4.181 4.679 . 0 0 "[ . 1 . 2]" 1
166 1 15 TRP H 1 68 LEU MD2 . . 6.500 5.103 4.748 5.348 . 0 0 "[ . 1 . 2]" 1
167 1 16 LYS H 1 18 HIS H . . 5.500 4.788 4.617 5.123 . 0 0 "[ . 1 . 2]" 1
168 1 14 THR HA 1 16 LYS H . . 5.500 4.284 3.884 4.694 . 0 0 "[ . 1 . 2]" 1
169 1 16 LYS H 1 16 LYS HA . . 3.000 2.934 2.820 3.023 0.023 14 0 "[ . 1 . 2]" 1
170 1 16 LYS H 1 16 LYS QD . . 5.500 4.506 4.352 4.644 . 0 0 "[ . 1 . 2]" 1
171 1 16 LYS H 1 16 LYS HG2 . . 4.500 3.603 3.097 4.112 . 0 0 "[ . 1 . 2]" 1
172 1 16 LYS H 1 16 LYS HG3 . . 4.500 2.578 2.332 2.845 . 0 0 "[ . 1 . 2]" 1
173 1 12 VAL MG2 1 16 LYS H . . 5.500 3.923 3.570 4.218 . 0 0 "[ . 1 . 2]" 1
174 1 16 LYS HA 1 19 PHE H . . 5.500 4.714 4.351 5.298 . 0 0 "[ . 1 . 2]" 1
175 1 16 LYS HA 1 20 GLU H . . 5.500 3.876 3.562 4.347 . 0 0 "[ . 1 . 2]" 1
176 1 16 LYS HA 1 16 LYS HG2 . . 4.500 2.528 2.275 2.802 . 0 0 "[ . 1 . 2]" 1
177 1 16 LYS HA 1 16 LYS HG3 . . 4.500 3.146 2.651 3.440 . 0 0 "[ . 1 . 2]" 1
178 1 16 LYS H 1 17 GLU H . . 3.000 2.872 2.538 3.027 0.027 20 0 "[ . 1 . 2]" 1
179 1 17 GLU H 1 18 HIS H . . 3.000 2.884 2.707 3.004 0.004 10 0 "[ . 1 . 2]" 1
180 1 14 THR HA 1 17 GLU H . . 5.500 2.843 2.438 3.204 . 0 0 "[ . 1 . 2]" 1
181 1 17 GLU H 1 17 GLU HA . . 3.000 2.938 2.810 3.036 0.036 19 0 "[ . 1 . 2]" 1
182 1 16 LYS HA 1 17 GLU H . . 5.500 3.583 3.414 3.767 . 0 0 "[ . 1 . 2]" 1
183 1 17 GLU H 1 17 GLU HG2 . . 4.500 3.794 3.315 4.237 . 0 0 "[ . 1 . 2]" 1
184 1 17 GLU H 1 17 GLU HG3 . . 4.500 2.609 2.281 3.118 . 0 0 "[ . 1 . 2]" 1
185 1 14 THR MG 1 17 GLU H . . 6.000 4.970 4.804 5.042 . 0 0 "[ . 1 . 2]" 1
186 1 16 LYS QE 1 17 GLU H . . 5.500 4.605 4.061 4.890 . 0 0 "[ . 1 . 2]" 1
187 1 13 ASP HA 1 17 GLU H . . 5.500 4.458 4.209 4.745 . 0 0 "[ . 1 . 2]" 1
188 1 17 GLU H 1 19 PHE H . . 5.500 4.545 4.174 4.883 . 0 0 "[ . 1 . 2]" 1
189 1 17 GLU H 1 20 GLU H . . 5.500 5.134 4.787 5.501 0.001 3 0 "[ . 1 . 2]" 1
190 1 17 GLU HA 1 20 GLU H . . 5.500 4.638 4.127 5.001 . 0 0 "[ . 1 . 2]" 1
191 1 18 HIS H 1 19 PHE H . . 3.000 2.806 2.667 2.993 . 0 0 "[ . 1 . 2]" 1
192 1 15 TRP HA 1 18 HIS H . . 5.500 4.060 3.803 4.470 . 0 0 "[ . 1 . 2]" 1
193 1 18 HIS H 1 18 HIS HA . . 3.000 2.875 2.677 3.010 0.010 16 0 "[ . 1 . 2]" 1
194 1 17 GLU HA 1 18 HIS H . . 5.500 3.551 3.287 3.670 . 0 0 "[ . 1 . 2]" 1
195 1 16 LYS HA 1 18 HIS H . . 5.500 5.172 4.809 5.466 . 0 0 "[ . 1 . 2]" 1
196 1 17 GLU HG2 1 18 HIS H . . 5.500 5.030 4.897 5.176 . 0 0 "[ . 1 . 2]" 1
197 1 17 GLU HG3 1 18 HIS H . . 5.500 4.527 4.234 4.763 . 0 0 "[ . 1 . 2]" 1
198 1 14 THR MG 1 18 HIS H . . 5.500 4.410 4.181 4.529 . 0 0 "[ . 1 . 2]" 1
199 1 14 THR HA 1 18 HIS H . . 5.500 3.381 2.999 3.756 . 0 0 "[ . 1 . 2]" 1
200 1 18 HIS HA 1 20 GLU H . . 5.500 5.204 4.721 5.530 0.030 10 0 "[ . 1 . 2]" 1
201 1 18 HIS HA 1 21 LYS QB . . 5.500 3.697 3.308 4.167 . 0 0 "[ . 1 . 2]" 1
202 1 18 HIS QB 1 61 LEU MD1 . . 6.000 2.870 2.517 3.268 . 0 0 "[ . 1 . 2]" 1
203 1 18 HIS QB 1 61 LEU MD2 . . 6.000 2.369 1.995 2.965 . 0 0 "[ . 1 . 2]" 1
204 1 19 PHE H 1 20 GLU H . . 3.500 2.950 2.704 3.241 . 0 0 "[ . 1 . 2]" 1
205 1 15 TRP HA 1 19 PHE H . . 5.500 3.723 3.143 4.302 . 0 0 "[ . 1 . 2]" 1
206 1 18 HIS HA 1 19 PHE H . . 5.500 3.439 3.316 3.606 . 0 0 "[ . 1 . 2]" 1
207 1 19 PHE H 1 19 PHE HA . . 3.000 2.869 2.712 2.946 . 0 0 "[ . 1 . 2]" 1
208 1 18 HIS QB 1 19 PHE H . . 3.800 2.316 1.993 2.596 . 0 0 "[ . 1 . 2]" 1
209 1 19 PHE H 1 19 PHE HB2 . . 4.000 2.512 2.254 2.814 . 0 0 "[ . 1 . 2]" 1
210 1 19 PHE H 1 19 PHE HB3 . . 4.000 2.992 2.456 3.726 . 0 0 "[ . 1 . 2]" 1
211 1 17 GLU QB 1 19 PHE H . . 5.500 4.852 4.729 5.040 . 0 0 "[ . 1 . 2]" 1
212 1 19 PHE HA 1 20 GLU H . . 5.500 3.544 3.384 3.689 . 0 0 "[ . 1 . 2]" 1
213 1 16 LYS HA 1 19 PHE HB2 . . 6.000 5.054 3.797 5.792 . 0 0 "[ . 1 . 2]" 1
214 1 19 PHE HB2 1 20 GLU H . . 5.500 3.632 2.705 4.088 . 0 0 "[ . 1 . 2]" 1
215 1 16 LYS HA 1 19 PHE HB3 . . 5.500 4.250 3.629 5.230 . 0 0 "[ . 1 . 2]" 1
216 1 19 PHE HB3 1 20 GLU H . . 5.500 2.651 2.201 3.392 . 0 0 "[ . 1 . 2]" 1
217 1 19 PHE HA 1 21 LYS H . . 5.500 4.991 4.599 5.367 . 0 0 "[ . 1 . 2]" 1
218 1 18 HIS H 1 19 PHE HA . . 5.500 5.475 5.318 5.580 0.080 19 0 "[ . 1 . 2]" 1
219 1 20 GLU H 1 21 LYS H . . 3.500 3.059 2.651 3.387 . 0 0 "[ . 1 . 2]" 1
220 1 20 GLU H 1 20 GLU HA . . 3.000 2.891 2.803 2.983 . 0 0 "[ . 1 . 2]" 1
221 1 18 HIS QB 1 20 GLU H . . 6.000 4.977 4.635 5.253 . 0 0 "[ . 1 . 2]" 1
222 1 20 GLU H 1 20 GLU HG2 . . 5.500 2.494 2.135 2.871 . 0 0 "[ . 1 . 2]" 1
223 1 20 GLU H 1 20 GLU HG3 . . 5.500 3.837 3.446 4.185 . 0 0 "[ . 1 . 2]" 1
224 1 20 GLU HA 1 22 GLY H . . 5.500 4.966 4.522 5.274 . 0 0 "[ . 1 . 2]" 1
225 1 21 LYS H 1 22 GLY H . . 3.500 2.950 2.632 3.240 . 0 0 "[ . 1 . 2]" 1
226 1 21 LYS H 1 21 LYS HA . . 3.000 2.895 2.763 2.989 . 0 0 "[ . 1 . 2]" 1
227 1 21 LYS H 1 21 LYS QE . . 5.500 4.633 4.163 4.915 . 0 0 "[ . 1 . 2]" 1
228 1 21 LYS H 1 21 LYS HG2 . . 5.500 2.476 2.206 2.697 . 0 0 "[ . 1 . 2]" 1
229 1 21 LYS H 1 21 LYS HG3 . . 5.500 3.727 3.224 4.019 . 0 0 "[ . 1 . 2]" 1
230 1 20 GLU QB 1 21 LYS H . . 5.500 2.708 2.244 3.121 . 0 0 "[ . 1 . 2]" 1
231 1 20 GLU HA 1 21 LYS H . . 4.000 3.629 3.426 3.810 . 0 0 "[ . 1 . 2]" 1
232 1 19 PHE H 1 21 LYS H . . 5.500 4.583 4.012 5.048 . 0 0 "[ . 1 . 2]" 1
233 1 21 LYS HA 1 22 GLY H . . 5.500 3.581 3.413 3.668 . 0 0 "[ . 1 . 2]" 1
234 1 21 LYS HA 1 21 LYS HG2 . . 4.500 3.040 2.376 3.430 . 0 0 "[ . 1 . 2]" 1
235 1 21 LYS HA 1 21 LYS HG3 . . 4.500 3.827 3.666 3.947 . 0 0 "[ . 1 . 2]" 1
236 1 22 GLY H 1 23 LYS H . . 4.000 3.383 2.952 3.694 . 0 0 "[ . 1 . 2]" 1
237 1 21 LYS QB 1 22 GLY H . . 3.500 2.379 2.178 2.589 . 0 0 "[ . 1 . 2]" 1
238 1 21 LYS QG 1 22 GLY H . . 5.500 4.067 3.910 4.328 . 0 0 "[ . 1 . 2]" 1
239 1 21 LYS QD 1 22 GLY H . . 6.000 4.943 4.809 5.155 . 0 0 "[ . 1 . 2]" 1
240 1 20 GLU H 1 22 GLY H . . 5.500 4.574 4.010 4.945 . 0 0 "[ . 1 . 2]" 1
241 1 19 PHE H 1 22 GLY H . . 5.500 4.894 4.702 5.020 . 0 0 "[ . 1 . 2]" 1
242 1 21 LYS QB 1 22 GLY HA2 . . 5.500 3.961 3.805 4.296 . 0 0 "[ . 1 . 2]" 1
243 1 21 LYS QB 1 22 GLY HA3 . . 5.500 4.267 3.995 4.446 . 0 0 "[ . 1 . 2]" 1
244 1 22 GLY HA3 1 23 LYS H . . 4.500 2.288 2.181 2.548 . 0 0 "[ . 1 . 2]" 1
245 1 23 LYS H 1 24 GLY H . . 4.500 3.931 3.724 4.133 . 0 0 "[ . 1 . 2]" 1
246 1 22 GLY HA2 1 23 LYS H . . 3.800 3.444 3.363 3.583 . 0 0 "[ . 1 . 2]" 1
247 1 23 LYS H 1 23 LYS HA . . 3.000 2.981 2.871 3.068 0.068 9 0 "[ . 1 . 2]" 1
248 1 23 LYS H 1 23 LYS HG2 . . 5.000 4.562 4.313 4.751 . 0 0 "[ . 1 . 2]" 1
249 1 23 LYS H 1 23 LYS HG3 . . 5.000 4.743 4.558 5.014 0.014 3 0 "[ . 1 . 2]" 1
250 1 23 LYS H 1 23 LYS QE . . 6.000 4.771 4.193 5.070 . 0 0 "[ . 1 . 2]" 1
251 1 23 LYS HA 1 25 SER H . . 5.500 4.108 3.818 4.396 . 0 0 "[ . 1 . 2]" 1
252 1 23 LYS HA 1 24 GLY H . . 3.500 2.009 1.802 2.218 . 0 0 "[ . 1 . 2]" 1
253 1 24 GLY H 1 25 SER H . . 3.500 2.313 1.942 2.713 . 0 0 "[ . 1 . 2]" 1
254 1 23 LYS QB 1 24 GLY H . . 5.500 3.821 3.673 3.992 . 0 0 "[ . 1 . 2]" 1
255 1 24 GLY H 1 88 ASP HA . . 5.500 3.303 2.747 3.669 . 0 0 "[ . 1 . 2]" 1
256 1 23 LYS QG 1 24 GLY H . . 5.500 3.262 2.933 3.524 . 0 0 "[ . 1 . 2]" 1
257 1 23 LYS QD 1 24 GLY H . . 5.500 4.864 4.330 5.015 . 0 0 "[ . 1 . 2]" 1
258 1 24 GLY HA3 1 25 SER H . . 4.500 2.787 2.493 3.078 . 0 0 "[ . 1 . 2]" 1
259 1 24 GLY HA2 1 25 SER H . . 4.500 3.380 3.241 3.510 . 0 0 "[ . 1 . 2]" 1
260 1 23 LYS H 1 25 SER H . . 5.500 4.912 4.594 5.171 . 0 0 "[ . 1 . 2]" 1
261 1 25 SER H 1 25 SER HA . . 3.000 3.003 2.909 3.072 0.072 18 0 "[ . 1 . 2]" 1
262 1 23 LYS HG2 1 25 SER H . . 5.500 5.486 5.241 5.633 0.133 17 0 "[ . 1 . 2]" 1
263 1 23 LYS QB 1 25 SER H . . 6.000 5.410 5.308 5.485 . 0 0 "[ . 1 . 2]" 1
264 1 25 SER HB2 1 26 GLN H . . 5.500 4.164 3.926 4.435 . 0 0 "[ . 1 . 2]" 1
265 1 25 SER HB3 1 26 GLN H . . 5.500 3.269 2.808 3.754 . 0 0 "[ . 1 . 2]" 1
266 1 25 SER H 1 26 GLN H . . 5.000 4.221 3.854 4.468 . 0 0 "[ . 1 . 2]" 1
267 1 25 SER HA 1 26 GLN H . . 3.800 2.069 1.879 2.239 . 0 0 "[ . 1 . 2]" 1
268 1 26 GLN H 1 26 GLN HB3 . . 4.000 3.679 3.445 3.920 . 0 0 "[ . 1 . 2]" 1
269 1 26 GLN H 1 26 GLN HB2 . . 4.000 2.536 2.201 2.867 . 0 0 "[ . 1 . 2]" 1
270 1 25 SER QB 1 26 GLN H . . 5.500 3.152 2.750 3.563 . 0 0 "[ . 1 . 2]" 1
271 1 26 GLN H 1 26 GLN HE21 . . 5.500 3.768 2.848 4.473 . 0 0 "[ . 1 . 2]" 1
272 1 26 GLN H 1 26 GLN HE22 . . 5.500 3.774 2.987 4.492 . 0 0 "[ . 1 . 2]" 1
273 1 26 GLN HA 1 26 GLN HE21 . . 5.500 3.371 2.254 4.298 . 0 0 "[ . 1 . 2]" 1
274 1 26 GLN HA 1 26 GLN HE22 . . 5.500 4.591 3.913 5.207 . 0 0 "[ . 1 . 2]" 1
275 1 26 GLN HB2 1 26 GLN HE22 . . 5.500 4.728 4.416 5.115 . 0 0 "[ . 1 . 2]" 1
276 1 27 LYS H 1 28 LEU H . . 5.000 4.296 4.149 4.456 . 0 0 "[ . 1 . 2]" 1
277 1 26 GLN H 1 27 LYS H . . 4.000 3.883 3.664 4.020 0.020 17 0 "[ . 1 . 2]" 1
278 1 25 SER HA 1 27 LYS H . . 5.500 4.844 4.732 5.054 . 0 0 "[ . 1 . 2]" 1
279 1 27 LYS H 1 27 LYS HA . . 3.000 2.966 2.897 3.034 0.034 18 0 "[ . 1 . 2]" 1
280 1 27 LYS H 1 27 LYS QE . . 6.000 4.681 4.217 5.076 . 0 0 "[ . 1 . 2]" 1
281 1 27 LYS H 1 27 LYS HB2 . . 4.000 3.993 3.872 4.084 0.084 11 0 "[ . 1 . 2]" 1
282 1 27 LYS H 1 27 LYS HB3 . . 4.000 3.464 3.237 3.806 . 0 0 "[ . 1 . 2]" 1
283 1 27 LYS H 1 27 LYS QD . . 5.500 4.730 4.553 4.915 . 0 0 "[ . 1 . 2]" 1
284 1 25 SER QB 1 27 LYS H . . 5.500 3.909 3.661 4.268 . 0 0 "[ . 1 . 2]" 1
285 1 26 GLN HB2 1 27 LYS H . . 5.500 4.572 4.364 4.778 . 0 0 "[ . 1 . 2]" 1
286 1 27 LYS HB3 1 28 LEU H . . 5.500 3.651 3.340 3.943 . 0 0 "[ . 1 . 2]" 1
287 1 27 LYS HA 1 28 LEU H . . 3.500 2.226 2.063 2.421 . 0 0 "[ . 1 . 2]" 1
288 1 28 LEU H 1 59 THR H . . 5.500 4.400 3.906 4.769 . 0 0 "[ . 1 . 2]" 1
289 1 28 LEU H 1 28 LEU HA . . 3.000 2.994 2.907 3.069 0.069 8 0 "[ . 1 . 2]" 1
290 1 28 LEU H 1 28 LEU HB2 . . 4.000 2.856 2.328 3.072 . 0 0 "[ . 1 . 2]" 1
291 1 28 LEU H 1 28 LEU HB3 . . 4.000 2.555 2.254 2.741 . 0 0 "[ . 1 . 2]" 1
292 1 28 LEU H 1 28 LEU HG . . 5.000 4.550 4.320 4.669 . 0 0 "[ . 1 . 2]" 1
293 1 28 LEU H 1 28 LEU MD1 . . 5.500 4.449 4.135 4.602 . 0 0 "[ . 1 . 2]" 1
294 1 28 LEU H 1 28 LEU MD2 . . 5.500 4.406 4.036 4.578 . 0 0 "[ . 1 . 2]" 1
295 1 29 ILE H 1 86 LEU H . . 5.500 3.479 2.946 3.940 . 0 0 "[ . 1 . 2]" 1
296 1 28 LEU HA 1 29 ILE H . . 3.500 2.246 2.015 2.504 . 0 0 "[ . 1 . 2]" 1
297 1 29 ILE H 1 29 ILE HA . . 3.000 2.948 2.785 3.030 0.030 17 0 "[ . 1 . 2]" 1
298 1 29 ILE H 1 29 ILE MD . . 5.500 4.494 3.991 4.692 . 0 0 "[ . 1 . 2]" 1
299 1 18 HIS QB 1 29 ILE MD . . 5.500 3.450 3.140 3.706 . 0 0 "[ . 1 . 2]" 1
300 1 22 GLY HA2 1 29 ILE MD . . 5.500 3.472 2.721 4.164 . 0 0 "[ . 1 . 2]" 1
301 1 22 GLY HA3 1 29 ILE MD . . 5.500 3.004 2.429 3.570 . 0 0 "[ . 1 . 2]" 1
302 1 22 GLY H 1 29 ILE MD . . 5.500 2.810 2.205 3.635 . 0 0 "[ . 1 . 2]" 1
303 1 30 VAL H 1 59 THR H . . 5.500 4.708 4.205 5.010 . 0 0 "[ . 1 . 2]" 1
304 1 30 VAL H 1 60 PHE HA . . 5.500 3.007 2.687 3.346 . 0 0 "[ . 1 . 2]" 1
305 1 29 ILE HA 1 30 VAL H . . 2.500 2.103 1.803 2.302 . 0 0 "[ . 1 . 2]" 1
306 1 30 VAL H 1 30 VAL HA . . 3.000 2.999 2.923 3.079 0.079 10 0 "[ . 1 . 2]" 1
307 1 30 VAL H 1 30 VAL HB . . 4.000 2.818 2.474 3.276 . 0 0 "[ . 1 . 2]" 1
308 1 30 VAL HA 1 30 VAL HB . . 3.000 2.985 2.906 3.067 0.067 9 0 "[ . 1 . 2]" 1
309 1 30 VAL H 1 59 THR HB . . 6.000 4.338 3.885 4.686 . 0 0 "[ . 1 . 2]" 1
310 1 30 VAL H 1 61 LEU H . . 5.500 4.046 3.713 4.264 . 0 0 "[ . 1 . 2]" 1
311 1 31 VAL H 1 84 ILE H . . 5.500 2.986 2.433 3.424 . 0 0 "[ . 1 . 2]" 1
312 1 31 VAL H 1 85 PHE HA . . 5.500 4.197 3.798 4.590 . 0 0 "[ . 1 . 2]" 1
313 1 31 VAL H 1 31 VAL HA . . 3.000 2.973 2.864 3.070 0.070 12 0 "[ . 1 . 2]" 1
314 1 30 VAL HA 1 31 VAL H . . 2.500 2.122 1.813 2.364 . 0 0 "[ . 1 . 2]" 1
315 1 32 ASP H 1 61 LEU H . . 5.500 4.152 3.824 4.517 . 0 0 "[ . 1 . 2]" 1
316 1 32 ASP H 1 63 VAL H . . 5.500 4.268 3.566 4.748 . 0 0 "[ . 1 . 2]" 1
317 1 32 ASP H 1 62 LYS HA . . 3.500 3.063 2.619 3.448 . 0 0 "[ . 1 . 2]" 1
318 1 31 VAL HA 1 32 ASP H . . 2.500 1.995 1.844 2.175 . 0 0 "[ . 1 . 2]" 1
319 1 32 ASP H 1 32 ASP HA . . 3.000 2.923 2.821 3.018 0.018 18 0 "[ . 1 . 2]" 1
320 1 31 VAL HB 1 32 ASP H . . 5.500 4.071 3.830 4.322 . 0 0 "[ . 1 . 2]" 1
321 1 32 ASP H 1 32 ASP HB3 . . 4.000 2.818 2.555 3.161 . 0 0 "[ . 1 . 2]" 1
322 1 31 VAL MG1 1 32 ASP H . . 5.500 4.310 4.124 4.636 . 0 0 "[ . 1 . 2]" 1
323 1 31 VAL MG2 1 32 ASP H . . 5.500 3.014 2.569 3.437 . 0 0 "[ . 1 . 2]" 1
324 1 33 PHE H 1 82 THR H . . 5.500 3.411 2.907 3.783 . 0 0 "[ . 1 . 2]" 1
325 1 33 PHE H 1 83 PHE HA . . 5.500 4.032 3.659 4.565 . 0 0 "[ . 1 . 2]" 1
326 1 33 PHE H 1 33 PHE HA . . 3.000 2.994 2.918 3.083 0.083 8 0 "[ . 1 . 2]" 1
327 1 32 ASP HA 1 33 PHE H . . 2.500 2.192 2.018 2.402 . 0 0 "[ . 1 . 2]" 1
328 1 33 PHE H 1 33 PHE HB3 . . 3.800 3.684 3.459 3.871 0.071 3 0 "[ . 1 . 2]" 1
329 1 33 PHE H 1 33 PHE HB2 . . 3.500 2.573 2.183 2.961 . 0 0 "[ . 1 . 2]" 1
330 1 32 ASP HB2 1 33 PHE H . . 5.500 4.297 3.724 4.762 . 0 0 "[ . 1 . 2]" 1
331 1 32 ASP HB3 1 33 PHE H . . 4.500 3.950 3.587 4.493 . 0 0 "[ . 1 . 2]" 1
332 1 33 PHE H 1 82 THR HB . . 5.500 4.058 3.278 4.544 . 0 0 "[ . 1 . 2]" 1
333 1 32 ASP H 1 33 PHE H . . 5.500 4.544 4.269 4.731 . 0 0 "[ . 1 . 2]" 1
334 1 33 PHE H 1 77 VAL MG1 . . 6.000 4.767 4.530 4.950 . 0 0 "[ . 1 . 2]" 1
335 1 33 PHE H 1 80 MET ME . . 5.500 4.490 4.303 4.709 . 0 0 "[ . 1 . 2]" 1
336 1 33 PHE HA 1 34 THR H . . 2.500 2.223 1.928 2.494 . 0 0 "[ . 1 . 2]" 1
337 1 34 THR H 1 64 ASP HA . . 5.500 3.991 3.442 4.337 . 0 0 "[ . 1 . 2]" 1
338 1 34 THR H 1 34 THR HA . . 3.000 2.909 2.820 3.068 0.068 11 0 "[ . 1 . 2]" 1
339 1 34 THR H 1 34 THR HB . . 4.000 3.583 3.325 3.823 . 0 0 "[ . 1 . 2]" 1
340 1 33 PHE HB2 1 34 THR H . . 5.500 4.493 4.280 4.817 . 0 0 "[ . 1 . 2]" 1
341 1 33 PHE HB3 1 34 THR H . . 5.500 3.730 3.485 4.258 . 0 0 "[ . 1 . 2]" 1
342 1 34 THR H 1 63 VAL H . . 5.500 4.671 4.298 4.977 . 0 0 "[ . 1 . 2]" 1
343 1 34 THR H 1 65 VAL H . . 5.500 3.034 2.771 3.408 . 0 0 "[ . 1 . 2]" 1
344 1 34 THR H 1 35 ALA MB . . 6.000 4.980 4.829 5.050 . 0 0 "[ . 1 . 2]" 1
345 1 34 THR H 1 65 VAL MG2 . . 5.500 3.985 3.429 4.269 . 0 0 "[ . 1 . 2]" 1
346 1 34 THR H 1 65 VAL HB . . 5.500 2.723 2.452 3.137 . 0 0 "[ . 1 . 2]" 1
347 1 34 THR H 1 80 MET ME . . 5.500 3.307 2.893 3.803 . 0 0 "[ . 1 . 2]" 1
348 1 34 THR HA 1 65 VAL HB . . 5.500 4.123 3.744 4.386 . 0 0 "[ . 1 . 2]" 1
349 1 34 THR HA 1 34 THR HB . . 3.000 2.487 2.294 2.665 . 0 0 "[ . 1 . 2]" 1
350 1 34 THR MG 1 35 ALA H . . 5.500 3.731 3.444 4.109 . 0 0 "[ . 1 . 2]" 1
351 1 34 THR MG 1 65 VAL HB . . 6.000 4.853 4.718 4.948 . 0 0 "[ . 1 . 2]" 1
352 1 34 THR MG 1 38 CYS HB3 . . 5.500 4.352 3.950 4.604 . 0 0 "[ . 1 . 2]" 1
353 1 35 ALA H 1 35 ALA HA . . 3.000 2.984 2.860 3.079 0.079 11 0 "[ . 1 . 2]" 1
354 1 34 THR HA 1 35 ALA H . . 3.500 2.098 1.879 2.270 . 0 0 "[ . 1 . 2]" 1
355 1 34 THR H 1 35 ALA H . . 5.500 3.966 3.691 4.194 . 0 0 "[ . 1 . 2]" 1
356 1 34 THR HB 1 35 ALA H . . 5.500 3.972 3.740 4.246 . 0 0 "[ . 1 . 2]" 1
357 1 35 ALA H 1 36 SER H . . 5.500 4.553 4.306 4.814 . 0 0 "[ . 1 . 2]" 1
358 1 35 ALA H 1 65 VAL MG1 . . 5.500 3.175 2.306 3.889 . 0 0 "[ . 1 . 2]" 1
359 1 35 ALA H 1 65 VAL HB . . 5.500 4.295 3.730 4.882 . 0 0 "[ . 1 . 2]" 1
360 1 35 ALA H 1 80 MET ME . . 5.500 3.436 2.735 4.263 . 0 0 "[ . 1 . 2]" 1
361 1 35 ALA H 1 38 CYS HB3 . . 5.500 4.248 3.132 5.216 . 0 0 "[ . 1 . 2]" 1
362 1 36 SER H 1 37 TRP H . . 3.500 2.903 2.573 3.335 . 0 0 "[ . 1 . 2]" 1
363 1 35 ALA HA 1 36 SER H . . 3.000 2.156 1.938 2.398 . 0 0 "[ . 1 . 2]" 1
364 1 36 SER H 1 36 SER HA . . 3.000 2.888 2.761 3.055 0.055 14 0 "[ . 1 . 2]" 1
365 1 35 ALA MB 1 36 SER H . . 4.500 3.009 2.584 3.573 . 0 0 "[ . 1 . 2]" 1
366 1 36 SER H 1 65 VAL MG1 . . 5.500 4.161 3.881 4.409 . 0 0 "[ . 1 . 2]" 1
367 1 37 TRP H 1 37 TRP HA . . 3.000 2.950 2.848 3.058 0.058 8 0 "[ . 1 . 2]" 1
368 1 36 SER HA 1 37 TRP H . . 5.500 3.470 3.239 3.728 . 0 0 "[ . 1 . 2]" 1
369 1 37 TRP H 1 37 TRP HB3 . . 4.000 2.923 2.634 3.369 . 0 0 "[ . 1 . 2]" 1
370 1 35 ALA MB 1 37 TRP H . . 5.500 2.941 2.487 3.561 . 0 0 "[ . 1 . 2]" 1
371 1 35 ALA MB 1 37 TRP HE1 . . 5.800 3.013 2.371 3.481 . 0 0 "[ . 1 . 2]" 1
372 1 37 TRP HB3 1 37 TRP HE1 . . 5.500 4.927 4.730 5.238 . 0 0 "[ . 1 . 2]" 1
373 1 37 TRP HZ2 1 65 VAL MG1 . . 5.500 4.198 3.544 4.662 . 0 0 "[ . 1 . 2]" 1
374 1 37 TRP HE1 1 65 VAL MG1 . . 5.500 4.302 3.655 4.576 . 0 0 "[ . 1 . 2]" 1
375 1 39 PRO HA 1 39 PRO HG3 . . 4.000 3.106 2.665 3.875 . 0 0 "[ . 1 . 2]" 1
376 1 39 PRO HA 1 42 LYS H . . 5.500 3.220 2.930 3.421 . 0 0 "[ . 1 . 2]" 1
377 1 39 PRO HA 1 42 LYS QB . . 5.500 2.174 1.996 2.477 . 0 0 "[ . 1 . 2]" 1
378 1 40 PRO HA 1 40 PRO HG3 . . 4.000 2.885 2.485 3.141 . 0 0 "[ . 1 . 2]" 1
379 1 40 PRO HA 1 43 MET H . . 5.500 3.930 3.645 4.210 . 0 0 "[ . 1 . 2]" 1
380 1 40 PRO HA 1 98 ALA MB . . 6.000 3.998 3.481 4.774 . 0 0 "[ . 1 . 2]" 1
381 1 40 PRO HB2 1 98 ALA MB . . 6.000 3.021 2.609 3.777 . 0 0 "[ . 1 . 2]" 1
382 1 41 CYS H 1 42 LYS H . . 3.500 2.727 2.371 3.300 . 0 0 "[ . 1 . 2]" 1
383 1 40 PRO HA 1 41 CYS H . . 5.500 3.564 3.403 3.741 . 0 0 "[ . 1 . 2]" 1
384 1 41 CYS H 1 41 CYS HA . . 3.000 2.913 2.678 3.005 0.005 20 0 "[ . 1 . 2]" 1
385 1 40 PRO QG 1 41 CYS H . . 5.500 4.018 3.817 4.225 . 0 0 "[ . 1 . 2]" 1
386 1 40 PRO HB2 1 41 CYS H . . 5.500 2.581 2.323 2.894 . 0 0 "[ . 1 . 2]" 1
387 1 41 CYS HA 1 43 MET H . . 5.500 4.238 3.883 4.491 . 0 0 "[ . 1 . 2]" 1
388 1 41 CYS HA 1 44 ILE MG . . 5.500 2.003 1.922 2.094 . 0 0 "[ . 1 . 2]" 1
389 1 40 PRO HA 1 42 LYS H . . 5.500 4.449 4.131 4.758 . 0 0 "[ . 1 . 2]" 1
390 1 42 LYS H 1 42 LYS HA . . 3.000 2.876 2.762 2.977 . 0 0 "[ . 1 . 2]" 1
391 1 42 LYS H 1 42 LYS HG2 . . 5.500 4.637 3.804 4.871 . 0 0 "[ . 1 . 2]" 1
392 1 42 LYS H 1 42 LYS HG3 . . 5.500 4.356 2.745 4.672 . 0 0 "[ . 1 . 2]" 1
393 1 42 LYS HA 1 43 MET H . . 4.000 3.550 3.390 3.742 . 0 0 "[ . 1 . 2]" 1
394 1 42 LYS HA 1 42 LYS HG2 . . 4.500 3.023 2.508 3.371 . 0 0 "[ . 1 . 2]" 1
395 1 42 LYS HA 1 42 LYS HG3 . . 4.500 2.523 2.130 3.031 . 0 0 "[ . 1 . 2]" 1
396 1 41 CYS H 1 43 MET H . . 5.500 4.590 4.274 5.122 . 0 0 "[ . 1 . 2]" 1
397 1 43 MET H 1 43 MET HA . . 3.000 2.979 2.834 3.056 0.056 11 0 "[ . 1 . 2]" 1
398 1 40 PRO HA 1 43 MET HG2 . . 5.500 2.620 2.355 2.840 . 0 0 "[ . 1 . 2]" 1
399 1 40 PRO HA 1 43 MET HG3 . . 5.500 3.710 3.303 4.282 . 0 0 "[ . 1 . 2]" 1
400 1 42 LYS QB 1 43 MET H . . 5.500 2.686 2.225 2.981 . 0 0 "[ . 1 . 2]" 1
401 1 44 ILE H 1 45 ALA H . . 3.500 3.083 2.777 3.315 . 0 0 "[ . 1 . 2]" 1
402 1 44 ILE H 1 44 ILE HA . . 3.000 2.846 2.733 2.950 . 0 0 "[ . 1 . 2]" 1
403 1 43 MET HA 1 44 ILE H . . 3.800 3.548 3.427 3.684 . 0 0 "[ . 1 . 2]" 1
404 1 43 MET QB 1 44 ILE H . . 5.500 3.586 3.338 3.765 . 0 0 "[ . 1 . 2]" 1
405 1 44 ILE H 1 44 ILE HG12 . . 5.000 4.695 4.340 4.949 . 0 0 "[ . 1 . 2]" 1
406 1 44 ILE H 1 44 ILE HG13 . . 5.000 4.637 4.358 4.940 . 0 0 "[ . 1 . 2]" 1
407 1 44 ILE HA 1 47 ILE H . . 5.500 2.973 2.846 3.082 . 0 0 "[ . 1 . 2]" 1
408 1 44 ILE HA 1 47 ILE MD . . 5.500 4.559 4.341 4.710 . 0 0 "[ . 1 . 2]" 1
409 1 44 ILE HA 1 47 ILE HB . . 5.500 2.196 1.917 2.385 . 0 0 "[ . 1 . 2]" 1
410 1 44 ILE MG 1 48 PHE H . . 6.500 4.239 3.923 4.618 . 0 0 "[ . 1 . 2]" 1
411 1 41 CYS HB2 1 44 ILE MG . . 4.500 3.616 3.543 3.697 . 0 0 "[ . 1 . 2]" 1
412 1 41 CYS HB3 1 44 ILE MG . . 4.000 2.367 2.171 2.569 . 0 0 "[ . 1 . 2]" 1
413 1 44 ILE MD 1 47 ILE H . . 5.500 4.279 4.062 4.430 . 0 0 "[ . 1 . 2]" 1
414 1 44 ILE MD 1 103 LEU MD2 . . 6.500 2.931 2.486 3.359 . 0 0 "[ . 1 . 2]" 1
415 1 44 ILE HA 1 45 ALA H . . 3.500 3.468 3.297 3.540 0.040 3 0 "[ . 1 . 2]" 1
416 1 45 ALA H 1 45 ALA HA . . 3.000 2.870 2.721 2.973 . 0 0 "[ . 1 . 2]" 1
417 1 44 ILE HB 1 45 ALA H . . 5.500 4.000 3.786 4.292 . 0 0 "[ . 1 . 2]" 1
418 1 44 ILE MG 1 45 ALA H . . 5.500 2.777 2.393 3.309 . 0 0 "[ . 1 . 2]" 1
419 1 45 ALA H 1 47 ILE H . . 5.500 4.243 3.918 4.621 . 0 0 "[ . 1 . 2]" 1
420 1 46 PRO HA 1 49 ALA MB . . 5.500 2.438 2.093 2.666 . 0 0 "[ . 1 . 2]" 1
421 1 46 PRO HA 1 46 PRO HG3 . . 4.000 3.035 2.714 4.015 0.015 20 0 "[ . 1 . 2]" 1
422 1 46 PRO HA 1 47 ILE H . . 4.500 3.620 3.495 3.783 . 0 0 "[ . 1 . 2]" 1
423 1 46 PRO HA 1 49 ALA H . . 3.500 3.442 3.299 3.572 0.072 6 0 "[ . 1 . 2]" 1
424 1 47 ILE H 1 48 PHE H . . 3.500 2.838 2.541 3.137 . 0 0 "[ . 1 . 2]" 1
425 1 47 ILE H 1 49 ALA H . . 5.500 4.169 3.888 4.492 . 0 0 "[ . 1 . 2]" 1
426 1 47 ILE H 1 47 ILE HA . . 3.000 2.940 2.798 3.025 0.025 19 0 "[ . 1 . 2]" 1
427 1 47 ILE H 1 47 ILE HB . . 3.500 2.613 2.321 2.956 . 0 0 "[ . 1 . 2]" 1
428 1 47 ILE H 1 47 ILE HG12 . . 4.500 2.464 2.265 2.757 . 0 0 "[ . 1 . 2]" 1
429 1 47 ILE H 1 47 ILE HG13 . . 4.500 3.911 3.694 4.124 . 0 0 "[ . 1 . 2]" 1
430 1 47 ILE H 1 47 ILE MD . . 5.500 3.466 2.987 3.758 . 0 0 "[ . 1 . 2]" 1
431 1 47 ILE H 1 48 PHE HB2 . . 5.500 4.888 4.473 5.323 . 0 0 "[ . 1 . 2]" 1
432 1 47 ILE H 1 48 PHE HB3 . . 5.500 4.896 4.468 5.325 . 0 0 "[ . 1 . 2]" 1
433 1 46 PRO HB3 1 47 ILE H . . 4.500 4.091 3.760 4.487 . 0 0 "[ . 1 . 2]" 1
434 1 47 ILE H 1 103 LEU MD2 . . 6.500 5.166 4.941 5.413 . 0 0 "[ . 1 . 2]" 1
435 1 47 ILE HA 1 49 ALA H . . 4.500 4.333 3.995 4.505 0.005 19 0 "[ . 1 . 2]" 1
436 1 47 ILE HA 1 47 ILE HG12 . . 4.500 3.150 2.922 3.381 . 0 0 "[ . 1 . 2]" 1
437 1 47 ILE HA 1 47 ILE HG13 . . 4.500 3.811 3.675 3.964 . 0 0 "[ . 1 . 2]" 1
438 1 48 PHE H 1 49 ALA H . . 3.500 2.912 2.622 3.258 . 0 0 "[ . 1 . 2]" 1
439 1 46 PRO HA 1 48 PHE H . . 5.500 4.780 4.473 5.257 . 0 0 "[ . 1 . 2]" 1
440 1 48 PHE H 1 48 PHE HA . . 3.000 2.878 2.745 3.035 0.035 10 0 "[ . 1 . 2]" 1
441 1 47 ILE HA 1 48 PHE H . . 3.800 3.483 3.332 3.607 . 0 0 "[ . 1 . 2]" 1
442 1 48 PHE H 1 48 PHE HB2 . . 3.500 2.288 2.084 2.557 . 0 0 "[ . 1 . 2]" 1
443 1 48 PHE H 1 48 PHE HB3 . . 3.500 2.638 2.287 3.107 . 0 0 "[ . 1 . 2]" 1
444 1 47 ILE HB 1 48 PHE H . . 4.300 2.705 2.349 3.080 . 0 0 "[ . 1 . 2]" 1
445 1 48 PHE H 1 103 LEU MD2 . . 5.500 3.363 2.917 3.864 . 0 0 "[ . 1 . 2]" 1
446 1 47 ILE HG13 1 48 PHE H . . 5.500 5.083 4.741 5.330 . 0 0 "[ . 1 . 2]" 1
447 1 47 ILE HG12 1 48 PHE H . . 5.500 4.460 4.219 4.710 . 0 0 "[ . 1 . 2]" 1
448 1 48 PHE HA 1 51 LEU HB2 . . 5.500 4.174 3.571 5.092 . 0 0 "[ . 1 . 2]" 1
449 1 48 PHE HA 1 51 LEU HB3 . . 5.500 2.746 2.267 3.461 . 0 0 "[ . 1 . 2]" 1
450 1 45 ALA HA 1 48 PHE HB2 . . 5.500 3.508 2.650 4.344 . 0 0 "[ . 1 . 2]" 1
451 1 45 ALA HA 1 48 PHE HB3 . . 5.500 2.782 2.313 3.371 . 0 0 "[ . 1 . 2]" 1
452 1 49 ALA H 1 52 ALA H . . 5.500 4.591 4.324 4.820 . 0 0 "[ . 1 . 2]" 1
453 1 49 ALA H 1 49 ALA HA . . 3.000 2.926 2.806 3.018 0.018 16 0 "[ . 1 . 2]" 1
454 1 49 ALA HA 1 52 ALA H . . 5.500 3.403 3.214 3.609 . 0 0 "[ . 1 . 2]" 1
455 1 49 ALA HA 1 52 ALA MB . . 5.500 2.385 2.243 2.514 . 0 0 "[ . 1 . 2]" 1
456 1 50 GLU H 1 51 LEU H . . 3.500 2.813 2.373 3.132 . 0 0 "[ . 1 . 2]" 1
457 1 50 GLU H 1 52 ALA H . . 5.500 4.103 3.670 4.351 . 0 0 "[ . 1 . 2]" 1
458 1 50 GLU H 1 50 GLU HA . . 3.000 2.915 2.829 3.006 0.006 19 0 "[ . 1 . 2]" 1
459 1 47 ILE MD 1 50 GLU H . . 6.000 4.812 4.766 4.879 . 0 0 "[ . 1 . 2]" 1
460 1 46 PRO HA 1 50 GLU H . . 5.500 4.006 3.571 4.274 . 0 0 "[ . 1 . 2]" 1
461 1 51 LEU H 1 52 ALA H . . 3.500 2.956 2.668 3.399 . 0 0 "[ . 1 . 2]" 1
462 1 50 GLU HA 1 51 LEU H . . 4.000 3.520 3.323 3.758 . 0 0 "[ . 1 . 2]" 1
463 1 51 LEU H 1 51 LEU HG . . 4.500 4.434 4.288 4.535 0.035 1 0 "[ . 1 . 2]" 1
464 1 51 LEU H 1 51 LEU HB2 . . 4.000 2.472 2.221 2.784 . 0 0 "[ . 1 . 2]" 1
465 1 51 LEU H 1 51 LEU HB3 . . 4.000 2.276 1.978 2.567 . 0 0 "[ . 1 . 2]" 1
466 1 51 LEU H 1 51 LEU MD1 . . 5.500 4.070 3.786 4.461 . 0 0 "[ . 1 . 2]" 1
467 1 51 LEU H 1 51 LEU MD2 . . 5.500 4.246 4.128 4.388 . 0 0 "[ . 1 . 2]" 1
468 1 51 LEU HA 1 51 LEU HG . . 4.500 3.754 3.587 3.966 . 0 0 "[ . 1 . 2]" 1
469 1 51 LEU HA 1 54 LYS H . . 5.500 3.316 2.902 3.633 . 0 0 "[ . 1 . 2]" 1
470 1 52 ALA H 1 54 LYS H . . 5.500 4.055 3.845 4.186 . 0 0 "[ . 1 . 2]" 1
471 1 50 GLU HA 1 52 ALA H . . 4.500 4.414 4.153 4.566 0.066 6 0 "[ . 1 . 2]" 1
472 1 51 LEU HG 1 52 ALA H . . 5.500 5.026 4.718 5.395 . 0 0 "[ . 1 . 2]" 1
473 1 51 LEU HB2 1 52 ALA H . . 4.500 4.097 3.772 4.297 . 0 0 "[ . 1 . 2]" 1
474 1 51 LEU HB3 1 52 ALA H . . 5.500 2.888 2.379 3.174 . 0 0 "[ . 1 . 2]" 1
475 1 51 LEU MD2 1 52 ALA H . . 5.500 4.170 3.998 4.493 . 0 0 "[ . 1 . 2]" 1
476 1 52 ALA MB 1 60 PHE HB2 . . 5.500 3.310 2.872 3.653 . 0 0 "[ . 1 . 2]" 1
477 1 52 ALA MB 1 60 PHE HB3 . . 5.500 3.999 3.605 4.271 . 0 0 "[ . 1 . 2]" 1
478 1 51 LEU H 1 53 LYS H . . 5.500 4.339 4.039 4.669 . 0 0 "[ . 1 . 2]" 1
479 1 50 GLU H 1 53 LYS H . . 5.500 4.903 4.648 5.133 . 0 0 "[ . 1 . 2]" 1
480 1 53 LYS H 1 54 LYS H . . 3.500 2.609 2.351 2.966 . 0 0 "[ . 1 . 2]" 1
481 1 53 LYS H 1 53 LYS HA . . 3.000 2.968 2.861 3.062 0.062 14 0 "[ . 1 . 2]" 1
482 1 52 ALA HA 1 53 LYS H . . 4.500 3.448 3.306 3.580 . 0 0 "[ . 1 . 2]" 1
483 1 53 LYS H 1 53 LYS QE . . 6.500 4.224 3.452 4.911 . 0 0 "[ . 1 . 2]" 1
484 1 53 LYS H 1 53 LYS QD . . 5.500 4.262 3.641 4.853 . 0 0 "[ . 1 . 2]" 1
485 1 53 LYS H 1 53 LYS HG2 . . 4.500 3.947 3.538 4.246 . 0 0 "[ . 1 . 2]" 1
486 1 53 LYS H 1 53 LYS HG3 . . 4.500 2.811 2.552 3.076 . 0 0 "[ . 1 . 2]" 1
487 1 53 LYS HA 1 53 LYS HG2 . . 4.500 2.556 2.277 2.872 . 0 0 "[ . 1 . 2]" 1
488 1 53 LYS HA 1 53 LYS HG3 . . 4.500 2.946 2.553 3.304 . 0 0 "[ . 1 . 2]" 1
489 1 52 ALA MB 1 53 LYS H . . 5.500 2.681 2.346 2.850 . 0 0 "[ . 1 . 2]" 1
490 1 51 LEU MD1 1 53 LYS H . . 6.500 5.082 4.743 5.337 . 0 0 "[ . 1 . 2]" 1
491 1 51 LEU MD2 1 53 LYS H . . 6.500 5.249 5.076 5.349 . 0 0 "[ . 1 . 2]" 1
492 1 54 LYS H 1 55 PHE H . . 3.500 2.383 2.196 2.557 . 0 0 "[ . 1 . 2]" 1
493 1 54 LYS H 1 54 LYS HA . . 3.000 2.934 2.847 3.018 0.018 19 0 "[ . 1 . 2]" 1
494 1 54 LYS H 1 54 LYS QE . . 6.000 4.370 4.087 4.649 . 0 0 "[ . 1 . 2]" 1
495 1 54 LYS H 1 54 LYS HB2 . . 4.000 2.483 2.239 2.690 . 0 0 "[ . 1 . 2]" 1
496 1 54 LYS H 1 54 LYS HB3 . . 4.000 2.492 2.202 2.709 . 0 0 "[ . 1 . 2]" 1
497 1 54 LYS H 1 54 LYS HG3 . . 4.500 4.447 4.284 4.563 0.063 18 0 "[ . 1 . 2]" 1
498 1 54 LYS H 1 54 LYS HG2 . . 4.500 4.465 4.283 4.541 0.041 8 0 "[ . 1 . 2]" 1
499 1 54 LYS HA 1 54 LYS HG3 . . 4.500 2.535 2.300 2.736 . 0 0 "[ . 1 . 2]" 1
500 1 54 LYS HA 1 54 LYS HG2 . . 4.500 2.980 2.442 3.334 . 0 0 "[ . 1 . 2]" 1
501 1 52 ALA MB 1 54 LYS H . . 5.500 4.534 4.439 4.628 . 0 0 "[ . 1 . 2]" 1
502 1 4 GLY H 1 54 LYS H . . 5.500 5.424 4.994 5.574 0.074 6 0 "[ . 1 . 2]" 1
503 1 54 LYS HB3 1 55 PHE H . . 3.500 2.935 2.567 3.254 . 0 0 "[ . 1 . 2]" 1
504 1 53 LYS H 1 54 LYS HB3 . . 5.000 4.788 4.602 5.004 0.004 11 0 "[ . 1 . 2]" 1
505 1 54 LYS H 1 55 PHE HB2 . . 5.500 4.045 3.944 4.190 . 0 0 "[ . 1 . 2]" 1
506 1 54 LYS H 1 55 PHE HB3 . . 5.500 5.528 5.475 5.588 0.088 18 0 "[ . 1 . 2]" 1
507 1 55 PHE H 1 56 PRO HD2 . . 5.500 4.711 4.207 5.020 . 0 0 "[ . 1 . 2]" 1
508 1 55 PHE H 1 56 PRO HD3 . . 5.500 4.002 3.527 4.264 . 0 0 "[ . 1 . 2]" 1
509 1 55 PHE H 1 55 PHE HA . . 3.000 3.000 2.934 3.067 0.067 9 0 "[ . 1 . 2]" 1
510 1 55 PHE HA 1 57 ASN H . . 4.500 4.097 3.624 4.375 . 0 0 "[ . 1 . 2]" 1
511 1 55 PHE HA 1 56 PRO HD2 . . 3.500 2.193 2.032 2.530 . 0 0 "[ . 1 . 2]" 1
512 1 55 PHE HA 1 56 PRO HD3 . . 3.500 2.546 2.035 3.194 . 0 0 "[ . 1 . 2]" 1
513 1 55 PHE HA 1 56 PRO QG . . 5.500 3.994 3.777 4.194 . 0 0 "[ . 1 . 2]" 1
514 1 54 LYS H 1 55 PHE HA . . 5.500 5.213 5.020 5.353 . 0 0 "[ . 1 . 2]" 1
515 1 54 LYS HB2 1 55 PHE H . . 5.500 3.952 3.610 4.274 . 0 0 "[ . 1 . 2]" 1
516 1 53 LYS QB 1 55 PHE H . . 5.500 4.797 4.625 4.931 . 0 0 "[ . 1 . 2]" 1
517 1 55 PHE HB3 1 58 VAL MG1 . . 5.500 2.060 1.869 2.303 . 0 0 "[ . 1 . 2]" 1
518 1 55 PHE HB3 1 58 VAL MG2 . . 5.500 4.125 3.817 4.420 . 0 0 "[ . 1 . 2]" 1
519 1 56 PRO HA 1 56 PRO HG3 . . 4.000 4.002 3.898 4.056 0.056 10 0 "[ . 1 . 2]" 1
520 1 57 ASN H 1 58 VAL H . . 3.500 2.256 1.900 2.489 . 0 0 "[ . 1 . 2]" 1
521 1 57 ASN H 1 57 ASN HA . . 3.000 2.954 2.860 3.044 0.044 8 0 "[ . 1 . 2]" 1
522 1 56 PRO HD2 1 57 ASN H . . 4.500 3.309 2.957 4.146 . 0 0 "[ . 1 . 2]" 1
523 1 56 PRO HD3 1 57 ASN H . . 4.500 4.446 4.266 4.619 0.119 6 0 "[ . 1 . 2]" 1
524 1 56 PRO HG2 1 57 ASN H . . 5.500 3.434 2.740 3.749 . 0 0 "[ . 1 . 2]" 1
525 1 57 ASN H 1 58 VAL MG1 . . 5.800 2.284 2.063 2.488 . 0 0 "[ . 1 . 2]" 1
526 1 57 ASN H 1 58 VAL MG2 . . 5.800 4.929 4.887 4.997 . 0 0 "[ . 1 . 2]" 1
527 1 57 ASN H 1 111 ALA MB . . 6.000 4.676 4.287 4.912 . 0 0 "[ . 1 . 2]" 1
528 1 57 ASN HA 1 57 ASN HD22 . . 5.500 5.271 5.051 5.400 . 0 0 "[ . 1 . 2]" 1
529 1 57 ASN HD22 1 111 ALA MB . . 6.000 1.941 1.629 2.517 . 0 0 "[ . 1 . 2]" 1
530 1 57 ASN HD22 1 58 VAL MG1 . . 5.500 3.478 3.021 3.898 . 0 0 "[ . 1 . 2]" 1
531 1 57 ASN HD21 1 111 ALA MB . . 5.500 3.515 3.138 3.990 . 0 0 "[ . 1 . 2]" 1
532 1 57 ASN HD21 1 58 VAL MG1 . . 5.500 3.829 2.995 4.340 . 0 0 "[ . 1 . 2]" 1
533 1 57 ASN HA 1 58 VAL H . . 3.800 3.144 3.020 3.286 . 0 0 "[ . 1 . 2]" 1
534 1 58 VAL H 1 58 VAL HA . . 3.000 2.991 2.925 3.089 0.089 1 0 "[ . 1 . 2]" 1
535 1 58 VAL H 1 58 VAL HB . . 4.000 3.230 2.900 3.491 . 0 0 "[ . 1 . 2]" 1
536 1 56 PRO HG2 1 58 VAL H . . 5.500 5.333 4.957 5.520 0.020 18 0 "[ . 1 . 2]" 1
537 1 57 ASN QB 1 58 VAL H . . 5.500 3.977 3.788 4.183 . 0 0 "[ . 1 . 2]" 1
538 1 28 LEU H 1 58 VAL HA . . 5.500 3.203 2.958 3.456 . 0 0 "[ . 1 . 2]" 1
539 1 28 LEU HB3 1 58 VAL HA . . 5.500 3.108 2.753 3.583 . 0 0 "[ . 1 . 2]" 1
540 1 28 LEU HB3 1 58 VAL MG2 . . 6.500 2.623 2.173 3.224 . 0 0 "[ . 1 . 2]" 1
541 1 28 LEU HB2 1 58 VAL MG2 . . 6.500 3.976 3.595 4.369 . 0 0 "[ . 1 . 2]" 1
542 1 28 LEU H 1 58 VAL MG2 . . 5.500 4.157 3.449 4.413 . 0 0 "[ . 1 . 2]" 1
543 1 29 ILE HA 1 59 THR H . . 5.500 3.139 2.732 3.395 . 0 0 "[ . 1 . 2]" 1
544 1 58 VAL HA 1 59 THR H . . 3.000 2.050 1.919 2.178 . 0 0 "[ . 1 . 2]" 1
545 1 58 VAL MG2 1 59 THR H . . 4.800 3.202 2.765 3.427 . 0 0 "[ . 1 . 2]" 1
546 1 59 THR H 1 59 THR HA . . 3.000 2.969 2.901 3.032 0.032 16 0 "[ . 1 . 2]" 1
547 1 59 THR H 1 59 THR HB . . 3.500 2.441 2.136 2.707 . 0 0 "[ . 1 . 2]" 1
548 1 29 ILE HB 1 59 THR HB . . 5.500 3.048 2.529 3.402 . 0 0 "[ . 1 . 2]" 1
549 1 29 ILE QG 1 59 THR HB . . 5.500 4.830 4.418 5.007 . 0 0 "[ . 1 . 2]" 1
550 1 29 ILE MG 1 59 THR HB . . 5.500 2.084 1.823 2.452 . 0 0 "[ . 1 . 2]" 1
551 1 58 VAL MG2 1 59 THR HB . . 6.000 4.659 4.398 4.838 . 0 0 "[ . 1 . 2]" 1
552 1 60 PHE H 1 60 PHE HA . . 3.000 2.977 2.860 3.065 0.065 12 0 "[ . 1 . 2]" 1
553 1 59 THR HA 1 60 PHE H . . 2.500 2.214 2.064 2.499 . 0 0 "[ . 1 . 2]" 1
554 1 60 PHE H 1 60 PHE HB2 . . 3.500 2.840 2.627 3.089 . 0 0 "[ . 1 . 2]" 1
555 1 59 THR MG 1 60 PHE H . . 5.500 2.348 2.141 2.510 . 0 0 "[ . 1 . 2]" 1
556 1 60 PHE HA 1 61 LEU HB3 . . 5.800 4.233 3.960 4.440 . 0 0 "[ . 1 . 2]" 1
557 1 60 PHE HA 1 61 LEU HB2 . . 5.500 5.506 5.370 5.584 0.084 18 0 "[ . 1 . 2]" 1
558 1 61 LEU H 1 61 LEU HA . . 3.000 2.950 2.835 3.034 0.034 14 0 "[ . 1 . 2]" 1
559 1 60 PHE HA 1 61 LEU H . . 2.500 2.018 1.766 2.182 . 0 0 "[ . 1 . 2]" 1
560 1 31 VAL HA 1 61 LEU H . . 5.500 2.960 2.765 3.159 . 0 0 "[ . 1 . 2]" 1
561 1 60 PHE HB2 1 61 LEU H . . 5.500 4.166 3.876 4.454 . 0 0 "[ . 1 . 2]" 1
562 1 60 PHE HB3 1 61 LEU H . . 5.500 3.243 2.930 3.613 . 0 0 "[ . 1 . 2]" 1
563 1 61 LEU H 1 61 LEU HG . . 5.500 2.885 2.566 3.222 . 0 0 "[ . 1 . 2]" 1
564 1 61 LEU H 1 61 LEU MD1 . . 5.500 4.176 3.907 4.510 . 0 0 "[ . 1 . 2]" 1
565 1 61 LEU H 1 61 LEU MD2 . . 5.500 3.826 3.441 4.100 . 0 0 "[ . 1 . 2]" 1
566 1 61 LEU HA 1 61 LEU HG . . 4.500 3.804 3.679 3.973 . 0 0 "[ . 1 . 2]" 1
567 1 59 THR MG 1 61 LEU H . . 5.500 4.253 3.890 4.426 . 0 0 "[ . 1 . 2]" 1
568 1 31 VAL MG2 1 61 LEU H . . 6.000 4.151 3.786 4.756 . 0 0 "[ . 1 . 2]" 1
569 1 31 VAL MG1 1 61 LEU H . . 6.000 4.984 4.875 5.080 . 0 0 "[ . 1 . 2]" 1
570 1 61 LEU MD2 1 62 LYS H . . 5.500 4.623 4.534 4.690 . 0 0 "[ . 1 . 2]" 1
571 1 59 THR MG 1 61 LEU MD2 . . 5.500 2.945 2.628 3.202 . 0 0 "[ . 1 . 2]" 1
572 1 31 VAL HA 1 61 LEU MD2 . . 5.800 4.625 4.298 4.803 . 0 0 "[ . 1 . 2]" 1
573 1 61 LEU HA 1 62 LYS H . . 2.500 2.274 2.028 2.525 0.025 19 0 "[ . 1 . 2]" 1
574 1 62 LYS H 1 62 LYS HA . . 3.000 3.003 2.914 3.059 0.059 14 0 "[ . 1 . 2]" 1
575 1 62 LYS H 1 62 LYS HG2 . . 5.000 2.948 2.678 3.321 . 0 0 "[ . 1 . 2]" 1
576 1 62 LYS H 1 62 LYS HG3 . . 5.000 3.531 3.034 4.236 . 0 0 "[ . 1 . 2]" 1
577 1 33 PHE HA 1 63 VAL H . . 5.500 3.660 3.186 3.929 . 0 0 "[ . 1 . 2]" 1
578 1 62 LYS HA 1 63 VAL H . . 2.500 1.918 1.667 2.097 . 0 0 "[ . 1 . 2]" 1
579 1 63 VAL H 1 63 VAL HA . . 3.000 2.956 2.858 3.054 0.054 15 0 "[ . 1 . 2]" 1
580 1 63 VAL H 1 63 VAL HB . . 3.500 2.458 2.172 2.761 . 0 0 "[ . 1 . 2]" 1
581 1 31 VAL MG2 1 63 VAL H . . 5.500 3.118 2.469 3.778 . 0 0 "[ . 1 . 2]" 1
582 1 62 LYS QB 1 63 VAL H . . 5.500 3.270 2.842 3.492 . 0 0 "[ . 1 . 2]" 1
583 1 31 VAL MG2 1 63 VAL HB . . 5.500 3.420 2.892 3.775 . 0 0 "[ . 1 . 2]" 1
584 1 62 LYS HA 1 63 VAL HB . . 5.500 4.263 4.026 4.607 . 0 0 "[ . 1 . 2]" 1
585 1 31 VAL MG2 1 63 VAL MG1 . . 6.500 4.266 3.832 4.562 . 0 0 "[ . 1 . 2]" 1
586 1 31 VAL MG2 1 63 VAL MG2 . . 6.500 2.406 2.115 2.851 . 0 0 "[ . 1 . 2]" 1
587 1 64 ASP H 1 65 VAL H . . 5.500 4.234 3.847 4.531 . 0 0 "[ . 1 . 2]" 1
588 1 64 ASP H 1 64 ASP HA . . 3.000 2.954 2.822 3.030 0.030 7 0 "[ . 1 . 2]" 1
589 1 10 HIS HA 1 64 ASP H . . 5.500 3.734 3.306 4.152 . 0 0 "[ . 1 . 2]" 1
590 1 63 VAL HA 1 64 ASP H . . 2.500 2.070 1.873 2.214 . 0 0 "[ . 1 . 2]" 1
591 1 64 ASP H 1 64 ASP HB2 . . 3.500 2.603 2.197 2.934 . 0 0 "[ . 1 . 2]" 1
592 1 64 ASP H 1 64 ASP HB3 . . 3.500 2.565 2.242 3.051 . 0 0 "[ . 1 . 2]" 1
593 1 63 VAL HB 1 64 ASP H . . 5.500 4.387 4.114 4.670 . 0 0 "[ . 1 . 2]" 1
594 1 63 VAL MG1 1 64 ASP H . . 5.500 3.006 2.682 3.336 . 0 0 "[ . 1 . 2]" 1
595 1 63 VAL MG2 1 64 ASP H . . 5.500 4.020 3.782 4.232 . 0 0 "[ . 1 . 2]" 1
596 1 63 VAL MG1 1 64 ASP HB3 . . 5.500 4.229 3.792 4.457 . 0 0 "[ . 1 . 2]" 1
597 1 63 VAL HA 1 64 ASP HB3 . . 5.500 4.517 4.322 4.899 . 0 0 "[ . 1 . 2]" 1
598 1 64 ASP HB3 1 65 VAL H . . 5.500 4.419 4.277 4.664 . 0 0 "[ . 1 . 2]" 1
599 1 65 VAL H 1 66 ASP H . . 4.000 3.032 2.646 3.325 . 0 0 "[ . 1 . 2]" 1
600 1 65 VAL H 1 67 GLU H . . 5.500 4.826 4.512 5.446 . 0 0 "[ . 1 . 2]" 1
601 1 35 ALA HA 1 65 VAL H . . 5.500 3.200 2.801 3.977 . 0 0 "[ . 1 . 2]" 1
602 1 64 ASP HA 1 65 VAL H . . 2.500 2.133 2.015 2.351 . 0 0 "[ . 1 . 2]" 1
603 1 65 VAL H 1 65 VAL HA . . 3.000 2.836 2.681 2.973 . 0 0 "[ . 1 . 2]" 1
604 1 65 VAL HA 1 65 VAL HB . . 3.000 2.584 2.320 2.811 . 0 0 "[ . 1 . 2]" 1
605 1 64 ASP HB2 1 65 VAL H . . 5.000 4.462 4.199 4.666 . 0 0 "[ . 1 . 2]" 1
606 1 66 ASP H 1 67 GLU H . . 3.500 3.018 2.431 3.427 . 0 0 "[ . 1 . 2]" 1
607 1 66 ASP H 1 66 ASP HA . . 3.000 2.866 2.625 3.020 0.020 17 0 "[ . 1 . 2]" 1
608 1 65 VAL HA 1 66 ASP H . . 4.500 3.518 3.308 3.696 . 0 0 "[ . 1 . 2]" 1
609 1 65 VAL HB 1 66 ASP H . . 4.500 3.995 3.650 4.370 . 0 0 "[ . 1 . 2]" 1
610 1 65 VAL MG1 1 66 ASP H . . 5.500 2.477 2.020 2.926 . 0 0 "[ . 1 . 2]" 1
611 1 67 GLU H 1 67 GLU HA . . 3.000 2.904 2.757 3.042 0.042 2 0 "[ . 1 . 2]" 1
612 1 66 ASP HB2 1 67 GLU H . . 4.500 2.725 2.133 3.070 . 0 0 "[ . 1 . 2]" 1
613 1 66 ASP HB3 1 67 GLU H . . 4.500 3.605 3.082 3.896 . 0 0 "[ . 1 . 2]" 1
614 1 66 ASP H 1 68 LEU H . . 5.500 4.176 3.774 4.527 . 0 0 "[ . 1 . 2]" 1
615 1 68 LEU H 1 69 LYS H . . 3.500 2.757 2.370 3.277 . 0 0 "[ . 1 . 2]" 1
616 1 67 GLU HA 1 68 LEU H . . 3.800 3.530 3.344 3.674 . 0 0 "[ . 1 . 2]" 1
617 1 65 VAL HA 1 68 LEU H . . 4.500 2.984 2.750 3.239 . 0 0 "[ . 1 . 2]" 1
618 1 65 VAL HB 1 68 LEU H . . 5.500 5.458 5.340 5.542 0.042 15 0 "[ . 1 . 2]" 1
619 1 68 LEU H 1 68 LEU HA . . 3.000 3.003 2.888 3.110 0.110 3 0 "[ . 1 . 2]" 1
620 1 68 LEU H 1 68 LEU HG . . 5.500 3.590 3.345 3.870 . 0 0 "[ . 1 . 2]" 1
621 1 68 LEU H 1 68 LEU MD1 . . 5.500 4.460 4.146 4.646 . 0 0 "[ . 1 . 2]" 1
622 1 68 LEU H 1 68 LEU MD2 . . 5.500 4.243 4.028 4.461 . 0 0 "[ . 1 . 2]" 1
623 1 69 LYS H 1 70 ALA H . . 3.500 2.647 2.289 3.234 . 0 0 "[ . 1 . 2]" 1
624 1 69 LYS H 1 71 VAL H . . 5.500 4.698 4.091 5.287 . 0 0 "[ . 1 . 2]" 1
625 1 68 LEU HA 1 69 LYS H . . 3.500 2.355 2.102 2.663 . 0 0 "[ . 1 . 2]" 1
626 1 69 LYS H 1 69 LYS HA . . 3.000 2.965 2.868 3.051 0.051 11 0 "[ . 1 . 2]" 1
627 1 65 VAL HA 1 69 LYS H . . 5.500 4.368 3.831 4.916 . 0 0 "[ . 1 . 2]" 1
628 1 69 LYS H 1 69 LYS QE . . 6.000 4.235 2.916 5.053 . 0 0 "[ . 1 . 2]" 1
629 1 68 LEU MD2 1 69 LYS H . . 5.500 4.360 4.233 4.452 . 0 0 "[ . 1 . 2]" 1
630 1 70 ALA H 1 73 GLU H . . 5.500 4.874 4.585 5.107 . 0 0 "[ . 1 . 2]" 1
631 1 70 ALA H 1 72 ALA H . . 4.500 4.202 4.038 4.438 . 0 0 "[ . 1 . 2]" 1
632 1 70 ALA H 1 71 VAL H . . 3.500 2.928 2.460 3.449 . 0 0 "[ . 1 . 2]" 1
633 1 68 LEU HA 1 70 ALA H . . 3.500 3.501 3.356 3.623 0.123 13 0 "[ . 1 . 2]" 1
634 1 70 ALA H 1 70 ALA HA . . 3.000 2.913 2.800 3.069 0.069 16 0 "[ . 1 . 2]" 1
635 1 69 LYS HB2 1 70 ALA H . . 4.500 3.848 3.451 4.064 . 0 0 "[ . 1 . 2]" 1
636 1 69 LYS HB3 1 70 ALA H . . 4.500 4.221 3.890 4.450 . 0 0 "[ . 1 . 2]" 1
637 1 69 LYS QG 1 70 ALA H . . 5.500 2.476 2.058 2.769 . 0 0 "[ . 1 . 2]" 1
638 1 71 VAL H 1 73 GLU H . . 5.500 4.483 3.887 4.831 . 0 0 "[ . 1 . 2]" 1
639 1 71 VAL H 1 72 ALA H . . 3.500 3.069 2.721 3.365 . 0 0 "[ . 1 . 2]" 1
640 1 68 LEU HA 1 71 VAL H . . 5.500 4.123 3.719 4.671 . 0 0 "[ . 1 . 2]" 1
641 1 70 ALA HA 1 71 VAL H . . 4.000 3.519 3.392 3.647 . 0 0 "[ . 1 . 2]" 1
642 1 71 VAL H 1 71 VAL HA . . 3.000 2.887 2.728 3.025 0.025 2 0 "[ . 1 . 2]" 1
643 1 71 VAL H 1 71 VAL HB . . 3.500 2.614 2.385 2.937 . 0 0 "[ . 1 . 2]" 1
644 1 70 ALA MB 1 71 VAL H . . 5.500 2.350 1.870 2.569 . 0 0 "[ . 1 . 2]" 1
645 1 71 VAL HA 1 72 ALA H . . 5.500 3.626 3.470 3.833 . 0 0 "[ . 1 . 2]" 1
646 1 71 VAL HA 1 74 GLU H . . 5.500 3.124 2.859 3.499 . 0 0 "[ . 1 . 2]" 1
647 1 72 ALA H 1 73 GLU H . . 3.500 2.809 2.532 3.081 . 0 0 "[ . 1 . 2]" 1
648 1 72 ALA H 1 74 GLU H . . 5.500 4.181 3.739 4.399 . 0 0 "[ . 1 . 2]" 1
649 1 70 ALA HA 1 72 ALA H . . 5.500 4.899 4.581 5.266 . 0 0 "[ . 1 . 2]" 1
650 1 72 ALA H 1 72 ALA HA . . 3.000 2.841 2.618 3.052 0.052 19 0 "[ . 1 . 2]" 1
651 1 71 VAL HB 1 72 ALA H . . 4.500 4.085 3.797 4.302 . 0 0 "[ . 1 . 2]" 1
652 1 71 VAL MG1 1 72 ALA H . . 4.500 2.148 1.922 2.496 . 0 0 "[ . 1 . 2]" 1
653 1 71 VAL MG2 1 72 ALA H . . 5.500 3.601 3.390 3.825 . 0 0 "[ . 1 . 2]" 1
654 1 71 VAL MG2 1 72 ALA HA . . 5.000 3.849 3.595 3.969 . 0 0 "[ . 1 . 2]" 1
655 1 71 VAL MG1 1 72 ALA HA . . 5.500 3.591 3.357 3.836 . 0 0 "[ . 1 . 2]" 1
656 1 72 ALA HA 1 74 GLU H . . 5.500 4.434 4.275 4.602 . 0 0 "[ . 1 . 2]" 1
657 1 73 GLU H 1 73 GLU HA . . 3.000 2.928 2.754 3.031 0.031 18 0 "[ . 1 . 2]" 1
658 1 72 ALA HA 1 73 GLU H . . 5.500 3.405 3.282 3.589 . 0 0 "[ . 1 . 2]" 1
659 1 73 GLU H 1 73 GLU HB2 . . 4.000 2.537 2.220 2.880 . 0 0 "[ . 1 . 2]" 1
660 1 73 GLU H 1 73 GLU HB3 . . 4.000 3.560 2.439 3.924 . 0 0 "[ . 1 . 2]" 1
661 1 73 GLU H 1 73 GLU HG2 . . 5.500 4.062 3.543 4.952 . 0 0 "[ . 1 . 2]" 1
662 1 73 GLU H 1 73 GLU HG3 . . 5.500 3.059 2.453 4.844 . 0 0 "[ . 1 . 2]" 1
663 1 71 VAL MG1 1 73 GLU H . . 5.500 4.445 4.257 4.532 . 0 0 "[ . 1 . 2]" 1
664 1 73 GLU HB2 1 74 GLU H . . 5.500 2.941 2.537 3.971 . 0 0 "[ . 1 . 2]" 1
665 1 73 GLU HB3 1 74 GLU H . . 5.500 3.449 2.627 3.856 . 0 0 "[ . 1 . 2]" 1
666 1 72 ALA MB 1 73 GLU H . . 4.500 2.374 2.146 2.731 . 0 0 "[ . 1 . 2]" 1
667 1 73 GLU H 1 74 GLU H . . 3.500 2.710 2.482 2.997 . 0 0 "[ . 1 . 2]" 1
668 1 74 GLU H 1 75 TRP H . . 3.500 2.997 2.786 3.237 . 0 0 "[ . 1 . 2]" 1
669 1 74 GLU H 1 74 GLU HA . . 3.000 2.911 2.786 3.032 0.032 17 0 "[ . 1 . 2]" 1
670 1 74 GLU H 1 74 GLU HB2 . . 4.000 3.667 3.295 3.931 . 0 0 "[ . 1 . 2]" 1
671 1 74 GLU H 1 74 GLU HB3 . . 4.000 2.507 2.010 2.894 . 0 0 "[ . 1 . 2]" 1
672 1 74 GLU H 1 74 GLU HG2 . . 5.500 3.518 2.901 4.349 . 0 0 "[ . 1 . 2]" 1
673 1 74 GLU H 1 74 GLU HG3 . . 5.500 3.891 3.056 4.398 . 0 0 "[ . 1 . 2]" 1
674 1 71 VAL MG1 1 74 GLU H . . 6.000 4.974 4.915 5.038 . 0 0 "[ . 1 . 2]" 1
675 1 71 VAL MG2 1 74 GLU H . . 5.500 4.365 4.115 4.552 . 0 0 "[ . 1 . 2]" 1
676 1 72 ALA MB 1 74 GLU H . . 5.500 4.504 4.256 4.648 . 0 0 "[ . 1 . 2]" 1
677 1 71 VAL MG2 1 74 GLU HG3 . . 5.500 3.115 2.166 3.843 . 0 0 "[ . 1 . 2]" 1
678 1 74 GLU HG2 1 75 TRP HE1 . . 6.000 5.000 3.964 5.821 . 0 0 "[ . 1 . 2]" 1
679 1 74 GLU HG2 1 75 TRP H . . 6.000 3.430 2.655 4.333 . 0 0 "[ . 1 . 2]" 1
680 1 15 TRP HE1 1 74 GLU HG2 . . 6.000 5.599 4.694 5.998 . 0 0 "[ . 1 . 2]" 1
681 1 73 GLU H 1 75 TRP H . . 5.500 4.537 3.866 4.923 . 0 0 "[ . 1 . 2]" 1
682 1 75 TRP H 1 76 ASN H . . 3.500 2.703 2.437 2.994 . 0 0 "[ . 1 . 2]" 1
683 1 75 TRP H 1 75 TRP HA . . 3.000 2.924 2.753 3.028 0.028 19 0 "[ . 1 . 2]" 1
684 1 74 GLU HA 1 75 TRP H . . 3.800 3.605 3.344 3.853 0.053 18 0 "[ . 1 . 2]" 1
685 1 75 TRP H 1 75 TRP HB2 . . 3.500 2.854 2.326 3.215 . 0 0 "[ . 1 . 2]" 1
686 1 75 TRP H 1 75 TRP HB3 . . 4.000 3.792 3.643 3.971 . 0 0 "[ . 1 . 2]" 1
687 1 75 TRP H 1 77 VAL MG2 . . 5.500 4.311 4.176 4.438 . 0 0 "[ . 1 . 2]" 1
688 1 75 TRP H 1 75 TRP HE1 . . 5.500 4.763 4.117 5.315 . 0 0 "[ . 1 . 2]" 1
689 1 71 VAL MG2 1 75 TRP HE1 . . 5.500 1.943 1.464 2.290 . 0 0 "[ . 1 . 2]" 1
690 1 71 VAL MG1 1 75 TRP HE1 . . 5.500 3.171 2.701 3.773 . 0 0 "[ . 1 . 2]" 1
691 1 75 TRP HB3 1 75 TRP HE1 . . 5.500 5.319 5.096 5.512 0.012 11 0 "[ . 1 . 2]" 1
692 1 75 TRP HB2 1 75 TRP HE1 . . 5.500 4.778 4.438 5.008 . 0 0 "[ . 1 . 2]" 1
693 1 74 GLU HG3 1 75 TRP HE1 . . 5.500 5.080 4.327 5.571 0.071 9 0 "[ . 1 . 2]" 1
694 1 71 VAL MG1 1 75 TRP HZ2 . . 5.500 4.433 4.201 4.625 . 0 0 "[ . 1 . 2]" 1
695 1 74 GLU HG3 1 75 TRP HZ2 . . 5.500 4.844 4.344 5.344 . 0 0 "[ . 1 . 2]" 1
696 1 75 TRP H 1 75 TRP HZ2 . . 6.000 5.849 5.446 6.128 0.128 11 0 "[ . 1 . 2]" 1
697 1 74 GLU HG3 1 75 TRP H . . 5.500 2.888 2.305 3.436 . 0 0 "[ . 1 . 2]" 1
698 1 75 TRP H 1 84 ILE MD . . 6.000 4.679 4.268 4.944 . 0 0 "[ . 1 . 2]" 1
699 1 76 ASN H 1 76 ASN HB2 . . 4.000 3.794 3.502 3.974 . 0 0 "[ . 1 . 2]" 1
700 1 76 ASN H 1 76 ASN HB3 . . 4.000 3.875 3.707 4.026 0.026 12 0 "[ . 1 . 2]" 1
701 1 76 ASN H 1 77 VAL MG2 . . 5.500 2.649 2.301 2.945 . 0 0 "[ . 1 . 2]" 1
702 1 73 GLU H 1 76 ASN H . . 5.500 5.065 4.765 5.277 . 0 0 "[ . 1 . 2]" 1
703 1 76 ASN H 1 77 VAL H . . 5.500 2.556 1.899 2.860 . 0 0 "[ . 1 . 2]" 1
704 1 76 ASN HA 1 77 VAL MG2 . . 6.000 4.094 3.860 4.366 . 0 0 "[ . 1 . 2]" 1
705 1 76 ASN HA 1 77 VAL H . . 4.000 2.323 1.957 2.556 . 0 0 "[ . 1 . 2]" 1
706 1 76 ASN H 1 76 ASN HD21 . . 5.500 5.074 4.517 5.509 0.009 9 0 "[ . 1 . 2]" 1
707 1 76 ASN HA 1 76 ASN HD22 . . 5.500 4.098 3.585 4.821 . 0 0 "[ . 1 . 2]" 1
708 1 77 VAL H 1 78 GLU H . . 5.500 3.502 3.054 4.061 . 0 0 "[ . 1 . 2]" 1
709 1 75 TRP H 1 77 VAL H . . 5.500 4.549 3.992 4.836 . 0 0 "[ . 1 . 2]" 1
710 1 77 VAL H 1 77 VAL HA . . 3.000 3.000 2.842 3.083 0.083 1 0 "[ . 1 . 2]" 1
711 1 76 ASN HB2 1 77 VAL H . . 5.500 4.607 4.382 4.906 . 0 0 "[ . 1 . 2]" 1
712 1 77 VAL H 1 77 VAL MG2 . . 4.500 2.859 2.462 3.155 . 0 0 "[ . 1 . 2]" 1
713 1 76 ASN HB3 1 77 VAL H . . 5.500 4.568 4.271 4.814 . 0 0 "[ . 1 . 2]" 1
714 1 72 ALA MB 1 77 VAL H . . 5.500 4.454 4.258 4.520 . 0 0 "[ . 1 . 2]" 1
715 1 77 VAL MG1 1 82 THR HG1 . . 5.500 2.144 1.647 2.917 . 0 0 "[ . 1 . 2]" 1
716 1 33 PHE HB2 1 77 VAL MG1 . . 6.000 2.780 2.333 3.141 . 0 0 "[ . 1 . 2]" 1
717 1 33 PHE HB3 1 77 VAL MG1 . . 6.000 2.352 2.067 2.771 . 0 0 "[ . 1 . 2]" 1
718 1 78 GLU H 1 79 ALA H . . 3.500 2.647 2.050 3.012 . 0 0 "[ . 1 . 2]" 1
719 1 78 GLU H 1 78 GLU HA . . 3.000 2.957 2.825 3.082 0.082 11 0 "[ . 1 . 2]" 1
720 1 77 VAL HA 1 78 GLU H . . 3.500 2.127 1.773 2.573 . 0 0 "[ . 1 . 2]" 1
721 1 78 GLU H 1 78 GLU HG2 . . 5.500 3.102 1.871 3.952 . 0 0 "[ . 1 . 2]" 1
722 1 78 GLU H 1 78 GLU HG3 . . 5.500 3.028 1.812 4.162 . 0 0 "[ . 1 . 2]" 1
723 1 77 VAL MG1 1 78 GLU H . . 5.500 3.653 2.826 3.941 . 0 0 "[ . 1 . 2]" 1
724 1 77 VAL MG2 1 78 GLU H . . 5.500 4.330 4.038 4.618 . 0 0 "[ . 1 . 2]" 1
725 1 77 VAL HB 1 78 GLU H . . 5.500 4.359 3.963 4.592 . 0 0 "[ . 1 . 2]" 1
726 1 78 GLU H 1 79 ALA MB . . 5.500 4.142 3.580 4.515 . 0 0 "[ . 1 . 2]" 1
727 1 78 GLU H 1 82 THR HG1 . . 5.500 5.026 4.106 5.508 0.008 5 0 "[ . 1 . 2]" 1
728 1 79 ALA H 1 80 MET H . . 5.500 4.256 3.980 4.512 . 0 0 "[ . 1 . 2]" 1
729 1 79 ALA H 1 79 ALA HA . . 3.000 2.951 2.835 3.077 0.077 6 0 "[ . 1 . 2]" 1
730 1 77 VAL HA 1 79 ALA H . . 5.000 2.792 2.356 3.229 . 0 0 "[ . 1 . 2]" 1
731 1 77 VAL MG1 1 79 ALA H . . 6.000 2.507 1.990 2.930 . 0 0 "[ . 1 . 2]" 1
732 1 77 VAL MG2 1 79 ALA H . . 5.500 4.470 4.311 4.592 . 0 0 "[ . 1 . 2]" 1
733 1 78 GLU QB 1 79 ALA H . . 5.500 3.968 3.638 4.231 . 0 0 "[ . 1 . 2]" 1
734 1 78 GLU HG3 1 79 ALA H . . 5.500 4.217 3.328 5.224 . 0 0 "[ . 1 . 2]" 1
735 1 78 GLU HG2 1 79 ALA H . . 5.500 4.325 3.127 5.518 0.018 2 0 "[ . 1 . 2]" 1
736 1 79 ALA H 1 82 THR HG1 . . 4.500 3.541 3.111 4.102 . 0 0 "[ . 1 . 2]" 1
737 1 79 ALA H 1 96 VAL MG2 . . 5.500 4.099 3.476 4.445 . 0 0 "[ . 1 . 2]" 1
738 1 79 ALA HA 1 96 VAL MG2 . . 5.500 4.459 4.202 4.598 . 0 0 "[ . 1 . 2]" 1
739 1 79 ALA HA 1 80 MET ME . . 5.500 4.369 4.066 4.511 . 0 0 "[ . 1 . 2]" 1
740 1 79 ALA HA 1 80 MET H . . 3.500 2.038 1.767 2.364 . 0 0 "[ . 1 . 2]" 1
741 1 80 MET H 1 80 MET HA . . 3.000 2.941 2.781 3.055 0.055 5 0 "[ . 1 . 2]" 1
742 1 80 MET HA 1 80 MET HG2 . . 4.500 3.285 2.788 3.718 . 0 0 "[ . 1 . 2]" 1
743 1 80 MET HA 1 80 MET HG3 . . 4.500 3.086 2.277 3.799 . 0 0 "[ . 1 . 2]" 1
744 1 80 MET HA 1 81 PRO HA . . 3.000 1.917 1.778 2.075 . 0 0 "[ . 1 . 2]" 1
745 1 80 MET HA 1 81 PRO HD2 . . 5.000 4.797 4.516 4.983 . 0 0 "[ . 1 . 2]" 1
746 1 80 MET HA 1 81 PRO HD3 . . 5.000 4.447 4.191 4.690 . 0 0 "[ . 1 . 2]" 1
747 1 80 MET HA 1 82 THR H . . 3.500 3.513 3.362 3.657 0.157 16 0 "[ . 1 . 2]" 1
748 1 80 MET HA 1 82 THR HG1 . . 5.500 4.078 3.621 4.395 . 0 0 "[ . 1 . 2]" 1
749 1 79 ALA MB 1 80 MET HA . . 5.500 4.369 4.096 4.625 . 0 0 "[ . 1 . 2]" 1
750 1 79 ALA MB 1 80 MET H . . 4.000 2.843 2.391 3.264 . 0 0 "[ . 1 . 2]" 1
751 1 34 THR HA 1 80 MET ME . . 5.500 2.582 2.083 3.381 . 0 0 "[ . 1 . 2]" 1
752 1 80 MET H 1 82 THR HG1 . . 5.500 5.148 4.825 5.460 . 0 0 "[ . 1 . 2]" 1
753 1 80 MET H 1 96 VAL MG2 . . 5.500 4.429 4.052 4.661 . 0 0 "[ . 1 . 2]" 1
754 1 82 THR H 1 82 THR HA . . 3.000 2.987 2.858 3.077 0.077 14 0 "[ . 1 . 2]" 1
755 1 34 THR HA 1 82 THR H . . 5.500 4.459 4.236 4.803 . 0 0 "[ . 1 . 2]" 1
756 1 81 PRO HA 1 82 THR H . . 2.500 1.796 1.602 1.955 . 0 0 "[ . 1 . 2]" 1
757 1 82 THR H 1 82 THR HG1 . . 5.500 2.837 2.004 3.395 . 0 0 "[ . 1 . 2]" 1
758 1 82 THR H 1 83 PHE H . . 5.500 4.349 4.026 4.570 . 0 0 "[ . 1 . 2]" 1
759 1 82 THR H 1 96 VAL MG2 . . 5.500 3.752 3.251 4.428 . 0 0 "[ . 1 . 2]" 1
760 1 81 PRO HB2 1 82 THR H . . 4.000 2.920 2.537 3.422 . 0 0 "[ . 1 . 2]" 1
761 1 81 PRO HB3 1 82 THR H . . 4.000 3.508 3.187 3.893 . 0 0 "[ . 1 . 2]" 1
762 1 77 VAL MG1 1 82 THR H . . 6.000 3.569 3.124 3.948 . 0 0 "[ . 1 . 2]" 1
763 1 77 VAL MG2 1 82 THR H . . 6.000 4.432 4.112 4.891 . 0 0 "[ . 1 . 2]" 1
764 1 33 PHE HB2 1 82 THR H . . 5.500 3.317 2.476 3.792 . 0 0 "[ . 1 . 2]" 1
765 1 33 PHE HB3 1 82 THR H . . 5.500 4.409 3.918 4.837 . 0 0 "[ . 1 . 2]" 1
766 1 77 VAL MG1 1 82 THR HB . . 5.500 2.526 2.167 2.909 . 0 0 "[ . 1 . 2]" 1
767 1 33 PHE HB2 1 82 THR HB . . 5.500 2.563 2.116 3.186 . 0 0 "[ . 1 . 2]" 1
768 1 33 PHE HB3 1 82 THR HB . . 5.500 3.875 3.261 4.591 . 0 0 "[ . 1 . 2]" 1
769 1 83 PHE H 1 83 PHE HA . . 3.000 2.988 2.904 3.069 0.069 2 0 "[ . 1 . 2]" 1
770 1 82 THR HA 1 83 PHE H . . 2.500 1.978 1.729 2.219 . 0 0 "[ . 1 . 2]" 1
771 1 83 PHE H 1 96 VAL HA . . 4.500 3.238 2.836 3.629 . 0 0 "[ . 1 . 2]" 1
772 1 83 PHE H 1 83 PHE HB2 . . 3.500 2.773 2.359 3.306 . 0 0 "[ . 1 . 2]" 1
773 1 82 THR MG 1 83 PHE H . . 5.500 2.476 2.038 2.919 . 0 0 "[ . 1 . 2]" 1
774 1 32 ASP HA 1 83 PHE HA . . 5.500 2.715 2.244 3.211 . 0 0 "[ . 1 . 2]" 1
775 1 82 THR MG 1 83 PHE HA . . 5.500 4.130 3.890 4.409 . 0 0 "[ . 1 . 2]" 1
776 1 30 VAL MG1 1 83 PHE HA . . 5.500 4.066 3.610 4.518 . 0 0 "[ . 1 . 2]" 1
777 1 30 VAL MG1 1 83 PHE HB3 . . 6.500 2.973 2.562 3.449 . 0 0 "[ . 1 . 2]" 1
778 1 30 VAL MG1 1 83 PHE HB2 . . 6.500 4.299 3.860 4.900 . 0 0 "[ . 1 . 2]" 1
779 1 83 PHE HA 1 84 ILE H . . 2.500 2.118 1.838 2.492 . 0 0 "[ . 1 . 2]" 1
780 1 84 ILE H 1 84 ILE HA . . 3.000 2.957 2.766 3.071 0.071 3 0 "[ . 1 . 2]" 1
781 1 32 ASP HA 1 84 ILE H . . 5.500 4.189 3.839 4.493 . 0 0 "[ . 1 . 2]" 1
782 1 83 PHE HB2 1 84 ILE H . . 5.500 4.205 3.820 4.452 . 0 0 "[ . 1 . 2]" 1
783 1 83 PHE HB3 1 84 ILE H . . 4.500 3.423 2.742 3.755 . 0 0 "[ . 1 . 2]" 1
784 1 84 ILE H 1 84 ILE HB . . 4.000 2.441 2.024 2.919 . 0 0 "[ . 1 . 2]" 1
785 1 84 ILE H 1 84 ILE HG12 . . 5.000 4.550 3.060 5.030 0.030 10 0 "[ . 1 . 2]" 1
786 1 84 ILE H 1 84 ILE HG13 . . 4.500 3.540 2.322 4.175 . 0 0 "[ . 1 . 2]" 1
787 1 84 ILE H 1 84 ILE MD . . 5.500 3.694 2.883 4.427 . 0 0 "[ . 1 . 2]" 1
788 1 83 PHE H 1 84 ILE H . . 5.500 4.124 3.668 4.625 . 0 0 "[ . 1 . 2]" 1
789 1 84 ILE H 1 85 PHE H . . 5.500 4.301 3.821 4.587 . 0 0 "[ . 1 . 2]" 1
790 1 30 VAL MG1 1 84 ILE H . . 5.500 3.936 3.258 4.519 . 0 0 "[ . 1 . 2]" 1
791 1 84 ILE HA 1 94 LYS HA . . 5.500 2.613 2.311 2.926 . 0 0 "[ . 1 . 2]" 1
792 1 84 ILE HA 1 85 PHE H . . 2.500 2.036 1.787 2.334 . 0 0 "[ . 1 . 2]" 1
793 1 84 ILE HA 1 84 ILE HG12 . . 4.500 2.903 2.541 3.605 . 0 0 "[ . 1 . 2]" 1
794 1 84 ILE HB 1 85 PHE H . . 5.500 4.149 3.345 4.359 . 0 0 "[ . 1 . 2]" 1
795 1 83 PHE H 1 84 ILE MD . . 5.500 4.289 4.109 4.536 . 0 0 "[ . 1 . 2]" 1
796 1 75 TRP HB2 1 84 ILE MD . . 5.500 2.405 2.004 2.851 . 0 0 "[ . 1 . 2]" 1
797 1 75 TRP HB3 1 84 ILE MD . . 5.500 2.838 2.075 3.817 . 0 0 "[ . 1 . 2]" 1
798 1 77 VAL MG2 1 84 ILE MD . . 6.000 2.079 1.858 2.415 . 0 0 "[ . 1 . 2]" 1
799 1 85 PHE H 1 93 ASP H . . 5.500 3.451 3.114 3.828 . 0 0 "[ . 1 . 2]" 1
800 1 85 PHE H 1 94 LYS HA . . 5.500 3.672 3.374 4.091 . 0 0 "[ . 1 . 2]" 1
801 1 85 PHE H 1 85 PHE HA . . 3.000 3.000 2.881 3.058 0.058 12 0 "[ . 1 . 2]" 1
802 1 85 PHE H 1 85 PHE HB2 . . 3.500 2.586 2.158 2.815 . 0 0 "[ . 1 . 2]" 1
803 1 86 LEU H 1 86 LEU HA . . 3.000 3.016 2.853 3.152 0.152 11 0 "[ . 1 . 2]" 1
804 1 86 LEU H 1 86 LEU MD1 . . 5.500 4.367 4.121 4.553 . 0 0 "[ . 1 . 2]" 1
805 1 86 LEU H 1 86 LEU MD2 . . 5.500 4.390 3.989 4.565 . 0 0 "[ . 1 . 2]" 1
806 1 85 PHE HA 1 86 LEU H . . 2.500 2.090 1.905 2.354 . 0 0 "[ . 1 . 2]" 1
807 1 30 VAL HA 1 86 LEU H . . 5.500 3.765 3.522 4.356 . 0 0 "[ . 1 . 2]" 1
808 1 85 PHE HB2 1 86 LEU H . . 5.500 4.367 3.982 4.643 . 0 0 "[ . 1 . 2]" 1
809 1 85 PHE HB3 1 86 LEU H . . 5.500 3.651 3.013 4.069 . 0 0 "[ . 1 . 2]" 1
810 1 86 LEU H 1 87 LYS H . . 5.500 3.972 3.659 4.169 . 0 0 "[ . 1 . 2]" 1
811 1 85 PHE H 1 86 LEU H . . 5.500 4.104 3.900 4.449 . 0 0 "[ . 1 . 2]" 1
812 1 28 LEU MD1 1 86 LEU H . . 5.500 3.366 2.670 4.104 . 0 0 "[ . 1 . 2]" 1
813 1 86 LEU HA 1 92 VAL MG2 . . 5.500 3.043 2.626 3.524 . 0 0 "[ . 1 . 2]" 1
814 1 86 LEU HA 1 92 VAL MG1 . . 5.500 3.913 3.513 4.382 . 0 0 "[ . 1 . 2]" 1
815 1 86 LEU HA 1 91 LEU HA . . 5.500 2.608 2.253 2.924 . 0 0 "[ . 1 . 2]" 1
816 1 86 LEU HA 1 91 LEU H . . 5.500 4.647 4.352 5.232 . 0 0 "[ . 1 . 2]" 1
817 1 86 LEU HA 1 90 LYS H . . 5.500 5.404 5.110 5.552 0.052 5 0 "[ . 1 . 2]" 1
818 1 87 LYS H 1 88 ASP H . . 5.500 4.613 4.423 4.899 . 0 0 "[ . 1 . 2]" 1
819 1 87 LYS H 1 90 LYS H . . 5.500 4.386 4.021 4.703 . 0 0 "[ . 1 . 2]" 1
820 1 86 LEU HA 1 87 LYS H . . 2.500 2.023 1.838 2.241 . 0 0 "[ . 1 . 2]" 1
821 1 87 LYS H 1 87 LYS HA . . 3.000 3.003 2.914 3.057 0.057 14 0 "[ . 1 . 2]" 1
822 1 86 LEU MD1 1 87 LYS H . . 5.500 2.763 2.509 3.016 . 0 0 "[ . 1 . 2]" 1
823 1 87 LYS HB2 1 88 ASP H . . 5.500 4.304 4.002 4.615 . 0 0 "[ . 1 . 2]" 1
824 1 87 LYS HB2 1 92 VAL MG1 . . 5.500 2.723 1.984 3.549 . 0 0 "[ . 1 . 2]" 1
825 1 87 LYS HB2 1 92 VAL MG2 . . 6.000 2.506 2.138 2.997 . 0 0 "[ . 1 . 2]" 1
826 1 87 LYS HB3 1 88 ASP H . . 5.500 3.807 3.375 4.150 . 0 0 "[ . 1 . 2]" 1
827 1 87 LYS HB3 1 92 VAL MG1 . . 5.500 2.409 1.927 2.786 . 0 0 "[ . 1 . 2]" 1
828 1 87 LYS HB3 1 92 VAL MG2 . . 5.500 3.324 2.774 4.072 . 0 0 "[ . 1 . 2]" 1
829 1 87 LYS H 1 92 VAL MG1 . . 5.500 3.035 2.684 3.601 . 0 0 "[ . 1 . 2]" 1
830 1 87 LYS H 1 92 VAL MG2 . . 5.500 2.879 2.479 3.287 . 0 0 "[ . 1 . 2]" 1
831 1 87 LYS H 1 92 VAL HB . . 5.500 5.448 5.201 5.553 0.053 15 0 "[ . 1 . 2]" 1
832 1 88 ASP H 1 90 LYS H . . 5.500 5.446 5.079 5.559 0.059 1 0 "[ . 1 . 2]" 1
833 1 88 ASP H 1 88 ASP HA . . 3.000 2.784 2.615 2.990 . 0 0 "[ . 1 . 2]" 1
834 1 87 LYS HA 1 88 ASP H . . 2.500 2.432 2.279 2.539 0.039 8 0 "[ . 1 . 2]" 1
835 1 28 LEU HA 1 88 ASP H . . 5.500 4.071 3.919 4.299 . 0 0 "[ . 1 . 2]" 1
836 1 87 LYS QG 1 88 ASP H . . 5.500 2.513 2.163 3.166 . 0 0 "[ . 1 . 2]" 1
837 1 87 LYS QG 1 88 ASP HA . . 5.500 4.403 3.995 4.762 . 0 0 "[ . 1 . 2]" 1
838 1 87 LYS H 1 89 GLY H . . 5.500 3.804 3.497 4.233 . 0 0 "[ . 1 . 2]" 1
839 1 89 GLY H 1 90 LYS H . . 3.500 2.040 1.803 2.466 . 0 0 "[ . 1 . 2]" 1
840 1 88 ASP HA 1 89 GLY H . . 4.000 2.671 2.249 2.874 . 0 0 "[ . 1 . 2]" 1
841 1 89 GLY H 1 89 GLY HA2 . . 3.000 2.911 2.801 3.028 0.028 20 0 "[ . 1 . 2]" 1
842 1 89 GLY H 1 89 GLY HA3 . . 3.000 2.856 2.617 2.964 . 0 0 "[ . 1 . 2]" 1
843 1 86 LEU MD1 1 89 GLY H . . 5.500 3.836 3.491 4.108 . 0 0 "[ . 1 . 2]" 1
844 1 88 ASP HB2 1 89 GLY H . . 5.500 4.452 4.209 4.651 . 0 0 "[ . 1 . 2]" 1
845 1 88 ASP HB3 1 89 GLY H . . 5.500 4.629 4.378 4.843 . 0 0 "[ . 1 . 2]" 1
846 1 90 LYS H 1 90 LYS HA . . 3.000 2.285 2.147 2.484 . 0 0 "[ . 1 . 2]" 1
847 1 90 LYS H 1 90 LYS QE . . 5.500 4.537 2.663 4.933 . 0 0 "[ . 1 . 2]" 1
848 1 89 GLY HA2 1 90 LYS H . . 3.800 2.880 2.597 3.209 . 0 0 "[ . 1 . 2]" 1
849 1 89 GLY HA3 1 90 LYS H . . 5.500 3.504 3.309 3.720 . 0 0 "[ . 1 . 2]" 1
850 1 88 ASP HA 1 90 LYS H . . 5.500 3.931 3.598 4.166 . 0 0 "[ . 1 . 2]" 1
851 1 86 LEU MD1 1 90 LYS H . . 5.500 3.371 2.995 3.759 . 0 0 "[ . 1 . 2]" 1
852 1 90 LYS H 1 92 VAL MG1 . . 6.000 4.694 4.288 4.874 . 0 0 "[ . 1 . 2]" 1
853 1 90 LYS H 1 91 LEU H . . 5.500 4.613 4.370 4.841 . 0 0 "[ . 1 . 2]" 1
854 1 90 LYS HA 1 91 LEU H . . 3.800 2.730 2.377 2.999 . 0 0 "[ . 1 . 2]" 1
855 1 91 LEU H 1 91 LEU HA . . 3.000 2.851 2.690 2.997 . 0 0 "[ . 1 . 2]" 1
856 1 91 LEU H 1 91 LEU HG . . 4.500 4.471 4.256 4.559 0.059 11 0 "[ . 1 . 2]" 1
857 1 91 LEU H 1 91 LEU MD1 . . 5.500 4.247 4.035 4.457 . 0 0 "[ . 1 . 2]" 1
858 1 91 LEU H 1 91 LEU MD2 . . 5.500 4.277 3.985 4.595 . 0 0 "[ . 1 . 2]" 1
859 1 91 LEU H 1 92 VAL H . . 5.500 4.202 3.971 4.401 . 0 0 "[ . 1 . 2]" 1
860 1 86 LEU MD1 1 91 LEU H . . 5.500 3.915 3.537 4.342 . 0 0 "[ . 1 . 2]" 1
861 1 90 LYS QG 1 91 LEU H . . 5.500 2.959 1.722 3.853 . 0 0 "[ . 1 . 2]" 1
862 1 86 LEU MD1 1 91 LEU HA . . 6.000 3.766 3.414 4.032 . 0 0 "[ . 1 . 2]" 1
863 1 86 LEU MD1 1 91 LEU HB2 . . 6.000 4.663 4.079 4.963 . 0 0 "[ . 1 . 2]" 1
864 1 91 LEU HA 1 92 VAL H . . 2.500 2.104 1.927 2.346 . 0 0 "[ . 1 . 2]" 1
865 1 92 VAL H 1 93 ASP H . . 3.500 2.877 2.536 3.174 . 0 0 "[ . 1 . 2]" 1
866 1 92 VAL H 1 92 VAL HA . . 3.000 2.932 2.846 3.011 0.011 12 0 "[ . 1 . 2]" 1
867 1 86 LEU HA 1 92 VAL H . . 5.500 2.714 2.413 3.051 . 0 0 "[ . 1 . 2]" 1
868 1 87 LYS H 1 92 VAL H . . 5.500 3.365 2.983 3.690 . 0 0 "[ . 1 . 2]" 1
869 1 86 LEU MD1 1 92 VAL H . . 6.000 4.469 4.190 4.802 . 0 0 "[ . 1 . 2]" 1
870 1 91 LEU MD1 1 92 VAL H . . 5.500 3.343 2.536 3.969 . 0 0 "[ . 1 . 2]" 1
871 1 91 LEU HG 1 92 VAL H . . 5.500 3.995 3.504 4.432 . 0 0 "[ . 1 . 2]" 1
872 1 91 LEU HB2 1 92 VAL H . . 5.500 4.438 4.207 4.640 . 0 0 "[ . 1 . 2]" 1
873 1 91 LEU HB3 1 92 VAL H . . 5.500 4.465 4.311 4.688 . 0 0 "[ . 1 . 2]" 1
874 1 91 LEU HG 1 92 VAL HA . . 5.500 4.683 4.315 5.080 . 0 0 "[ . 1 . 2]" 1
875 1 92 VAL HA 1 92 VAL HB . . 3.000 2.435 2.166 2.795 . 0 0 "[ . 1 . 2]" 1
876 1 86 LEU HA 1 93 ASP H . . 5.500 4.603 4.364 4.835 . 0 0 "[ . 1 . 2]" 1
877 1 93 ASP H 1 93 ASP HA . . 3.000 2.948 2.826 3.042 0.042 7 0 "[ . 1 . 2]" 1
878 1 92 VAL HB 1 93 ASP H . . 5.000 3.913 3.603 4.192 . 0 0 "[ . 1 . 2]" 1
879 1 92 VAL MG2 1 93 ASP H . . 5.500 2.577 2.280 3.007 . 0 0 "[ . 1 . 2]" 1
880 1 91 LEU MD1 1 93 ASP H . . 5.500 2.938 2.420 3.752 . 0 0 "[ . 1 . 2]" 1
881 1 85 PHE HB2 1 93 ASP H . . 5.500 2.463 2.189 2.795 . 0 0 "[ . 1 . 2]" 1
882 1 85 PHE HB3 1 93 ASP H . . 5.500 3.520 3.156 3.898 . 0 0 "[ . 1 . 2]" 1
883 1 93 ASP H 1 94 LYS H . . 5.500 4.542 4.331 4.687 . 0 0 "[ . 1 . 2]" 1
884 1 94 LYS H 1 94 LYS HA . . 3.000 2.912 2.694 3.019 0.019 20 0 "[ . 1 . 2]" 1
885 1 93 ASP HA 1 94 LYS H . . 3.500 2.507 2.225 2.708 . 0 0 "[ . 1 . 2]" 1
886 1 94 LYS H 1 94 LYS HB2 . . 4.000 4.010 3.911 4.089 0.089 16 0 "[ . 1 . 2]" 1
887 1 94 LYS H 1 94 LYS HB3 . . 4.000 3.614 3.407 3.812 . 0 0 "[ . 1 . 2]" 1
888 1 94 LYS H 1 94 LYS HG3 . . 4.500 4.133 3.372 4.552 0.052 16 0 "[ . 1 . 2]" 1
889 1 94 LYS H 1 94 LYS HG2 . . 4.500 3.203 2.588 3.997 . 0 0 "[ . 1 . 2]" 1
890 1 94 LYS HA 1 94 LYS HG3 . . 4.500 4.122 3.758 4.408 . 0 0 "[ . 1 . 2]" 1
891 1 94 LYS HA 1 94 LYS HG2 . . 4.500 3.870 3.729 4.106 . 0 0 "[ . 1 . 2]" 1
892 1 94 LYS H 1 106 LEU MD1 . . 6.000 4.771 4.586 4.927 . 0 0 "[ . 1 . 2]" 1
893 1 94 LYS H 1 95 THR H . . 5.500 4.257 3.932 4.491 . 0 0 "[ . 1 . 2]" 1
894 1 95 THR H 1 96 VAL H . . 5.500 4.010 2.995 4.390 . 0 0 "[ . 1 . 2]" 1
895 1 94 LYS HA 1 95 THR H . . 2.500 2.247 2.063 2.524 0.024 9 0 "[ . 1 . 2]" 1
896 1 84 ILE HA 1 95 THR H . . 5.500 3.985 3.656 4.319 . 0 0 "[ . 1 . 2]" 1
897 1 95 THR H 1 95 THR HA . . 3.000 2.916 2.795 3.059 0.059 17 0 "[ . 1 . 2]" 1
898 1 95 THR H 1 95 THR HB . . 3.500 3.126 2.860 3.436 . 0 0 "[ . 1 . 2]" 1
899 1 95 THR H 1 106 LEU MD2 . . 5.500 4.396 4.057 4.615 . 0 0 "[ . 1 . 2]" 1
900 1 95 THR H 1 96 VAL MG1 . . 5.500 4.367 4.197 4.456 . 0 0 "[ . 1 . 2]" 1
901 1 83 PHE HB2 1 95 THR H . . 5.500 3.934 3.459 4.368 . 0 0 "[ . 1 . 2]" 1
902 1 83 PHE HB3 1 95 THR H . . 5.500 5.087 4.729 5.456 . 0 0 "[ . 1 . 2]" 1
903 1 95 THR HA 1 95 THR HB . . 3.000 3.000 2.869 3.063 0.063 7 0 "[ . 1 . 2]" 1
904 1 95 THR HB 1 106 LEU MD1 . . 5.500 3.735 2.437 4.367 . 0 0 "[ . 1 . 2]" 1
905 1 96 VAL H 1 96 VAL HA . . 3.000 2.984 2.857 3.084 0.084 3 0 "[ . 1 . 2]" 1
906 1 95 THR HB 1 96 VAL H . . 4.500 3.898 3.284 4.436 . 0 0 "[ . 1 . 2]" 1
907 1 95 THR MG 1 96 VAL H . . 5.500 2.431 1.664 3.462 . 0 0 "[ . 1 . 2]" 1
908 1 96 VAL H 1 97 GLY H . . 5.500 3.992 3.438 4.345 . 0 0 "[ . 1 . 2]" 1
909 1 82 THR HA 1 97 GLY H . . 5.500 3.529 3.056 4.036 . 0 0 "[ . 1 . 2]" 1
910 1 96 VAL HA 1 97 GLY H . . 2.500 2.031 1.742 2.195 . 0 0 "[ . 1 . 2]" 1
911 1 96 VAL HB 1 97 GLY H . . 4.500 4.196 3.898 4.394 . 0 0 "[ . 1 . 2]" 1
912 1 96 VAL MG2 1 97 GLY H . . 5.500 3.263 2.877 3.678 . 0 0 "[ . 1 . 2]" 1
913 1 96 VAL MG1 1 97 GLY H . . 5.500 4.458 4.272 4.695 . 0 0 "[ . 1 . 2]" 1
914 1 95 THR MG 1 97 GLY HA2 . . 6.500 5.149 4.680 5.318 . 0 0 "[ . 1 . 2]" 1
915 1 96 VAL MG1 1 97 GLY HA2 . . 6.500 5.097 4.785 5.427 . 0 0 "[ . 1 . 2]" 1
916 1 96 VAL MG2 1 97 GLY HA2 . . 6.500 3.784 3.452 4.149 . 0 0 "[ . 1 . 2]" 1
917 1 98 ALA H 1 99 ASP H . . 5.500 4.063 3.237 4.719 . 0 0 "[ . 1 . 2]" 1
918 1 98 ALA H 1 98 ALA HA . . 3.000 2.928 2.830 2.987 . 0 0 "[ . 1 . 2]" 1
919 1 97 GLY HA3 1 98 ALA H . . 3.500 2.824 2.062 3.550 0.050 17 0 "[ . 1 . 2]" 1
920 1 44 ILE MD 1 98 ALA H . . 6.500 5.131 4.732 5.322 . 0 0 "[ . 1 . 2]" 1
921 1 98 ALA HA 1 99 ASP HB2 . . 5.500 4.592 4.364 4.900 . 0 0 "[ . 1 . 2]" 1
922 1 98 ALA HA 1 99 ASP HB3 . . 5.500 4.788 4.275 5.165 . 0 0 "[ . 1 . 2]" 1
923 1 44 ILE MD 1 98 ALA HA . . 6.500 2.968 2.415 3.364 . 0 0 "[ . 1 . 2]" 1
924 1 99 ASP H 1 99 ASP HA . . 3.000 2.959 2.868 3.056 0.056 18 0 "[ . 1 . 2]" 1
925 1 98 ALA HA 1 99 ASP H . . 3.000 2.147 1.921 2.479 . 0 0 "[ . 1 . 2]" 1
926 1 98 ALA MB 1 99 ASP H . . 5.500 3.351 3.048 3.713 . 0 0 "[ . 1 . 2]" 1
927 1 44 ILE MD 1 99 ASP H . . 5.500 2.382 1.947 2.843 . 0 0 "[ . 1 . 2]" 1
928 1 99 ASP H 1 103 LEU MD2 . . 6.000 4.374 3.557 4.792 . 0 0 "[ . 1 . 2]" 1
929 1 99 ASP H 1 99 ASP HB2 . . 4.000 3.346 2.677 3.734 . 0 0 "[ . 1 . 2]" 1
930 1 99 ASP H 1 99 ASP HB3 . . 4.000 3.071 2.563 3.406 . 0 0 "[ . 1 . 2]" 1
931 1 99 ASP H 1 100 LYS H . . 5.500 4.005 3.681 4.356 . 0 0 "[ . 1 . 2]" 1
932 1 99 ASP HA 1 100 LYS H . . 5.500 2.097 1.830 2.347 . 0 0 "[ . 1 . 2]" 1
933 1 100 LYS H 1 100 LYS HA . . 3.000 2.776 2.515 2.928 . 0 0 "[ . 1 . 2]" 1
934 1 100 LYS H 1 100 LYS QD . . 5.500 3.512 1.868 4.434 . 0 0 "[ . 1 . 2]" 1
935 1 44 ILE MD 1 100 LYS H . . 5.500 3.486 3.023 4.063 . 0 0 "[ . 1 . 2]" 1
936 1 99 ASP HB2 1 100 LYS H . . 4.500 4.326 4.168 4.584 0.084 11 0 "[ . 1 . 2]" 1
937 1 99 ASP HB3 1 100 LYS H . . 4.500 4.169 3.916 4.358 . 0 0 "[ . 1 . 2]" 1
938 1 44 ILE MD 1 100 LYS HA . . 5.500 2.847 2.412 3.244 . 0 0 "[ . 1 . 2]" 1
939 1 101 ASP H 1 101 ASP HA . . 3.000 2.948 2.805 3.046 0.046 14 0 "[ . 1 . 2]" 1
940 1 101 ASP H 1 101 ASP HB2 . . 4.000 3.779 3.619 3.922 . 0 0 "[ . 1 . 2]" 1
941 1 101 ASP H 1 101 ASP HB3 . . 4.000 2.848 2.384 3.227 . 0 0 "[ . 1 . 2]" 1
942 1 100 LYS QB 1 101 ASP H . . 5.500 3.313 3.073 3.733 . 0 0 "[ . 1 . 2]" 1
943 1 100 LYS QG 1 101 ASP H . . 5.500 2.210 1.851 2.791 . 0 0 "[ . 1 . 2]" 1
944 1 100 LYS HA 1 101 ASP H . . 4.500 3.464 3.337 3.672 . 0 0 "[ . 1 . 2]" 1
945 1 101 ASP H 1 102 GLY HA2 . . 5.500 5.331 4.969 5.555 0.055 1 0 "[ . 1 . 2]" 1
946 1 101 ASP H 1 102 GLY HA3 . . 5.500 4.894 4.348 5.171 . 0 0 "[ . 1 . 2]" 1
947 1 47 ILE MD 1 101 ASP H . . 6.500 5.221 4.871 5.317 . 0 0 "[ . 1 . 2]" 1
948 1 44 ILE MD 1 101 ASP H . . 6.500 5.234 4.830 5.493 . 0 0 "[ . 1 . 2]" 1
949 1 101 ASP HA 1 102 GLY H . . 4.000 3.502 3.360 3.686 . 0 0 "[ . 1 . 2]" 1
950 1 101 ASP HB2 1 102 GLY H . . 4.500 3.935 3.614 4.332 . 0 0 "[ . 1 . 2]" 1
951 1 101 ASP HB3 1 102 GLY H . . 4.500 4.129 3.942 4.417 . 0 0 "[ . 1 . 2]" 1
952 1 102 GLY H 1 103 LEU H . . 4.500 3.086 2.736 3.385 . 0 0 "[ . 1 . 2]" 1
953 1 103 LEU H 1 105 THR H . . 5.500 4.303 4.009 4.646 . 0 0 "[ . 1 . 2]" 1
954 1 103 LEU H 1 103 LEU HA . . 3.000 2.858 2.709 2.988 . 0 0 "[ . 1 . 2]" 1
955 1 102 GLY HA2 1 103 LEU H . . 5.500 3.540 3.398 3.638 . 0 0 "[ . 1 . 2]" 1
956 1 102 GLY HA3 1 103 LEU H . . 5.500 2.567 2.345 2.872 . 0 0 "[ . 1 . 2]" 1
957 1 103 LEU H 1 103 LEU HG . . 4.500 4.416 4.171 4.538 0.038 3 0 "[ . 1 . 2]" 1
958 1 103 LEU H 1 103 LEU MD1 . . 5.500 4.291 4.137 4.508 . 0 0 "[ . 1 . 2]" 1
959 1 103 LEU H 1 103 LEU MD2 . . 5.500 4.173 3.954 4.392 . 0 0 "[ . 1 . 2]" 1
960 1 44 ILE MD 1 103 LEU H . . 6.000 4.269 3.941 4.556 . 0 0 "[ . 1 . 2]" 1
961 1 103 LEU HA 1 103 LEU HG . . 4.500 3.295 2.971 3.530 . 0 0 "[ . 1 . 2]" 1
962 1 103 LEU HA 1 105 THR H . . 5.500 4.332 4.062 4.588 . 0 0 "[ . 1 . 2]" 1
963 1 103 LEU HA 1 106 LEU HB2 . . 5.500 4.047 3.357 5.156 . 0 0 "[ . 1 . 2]" 1
964 1 103 LEU HA 1 106 LEU HB3 . . 5.500 2.803 2.390 3.469 . 0 0 "[ . 1 . 2]" 1
965 1 104 PRO HA 1 107 VAL H . . 5.500 3.971 3.594 4.307 . 0 0 "[ . 1 . 2]" 1
966 1 104 PRO HA 1 108 ALA H . . 5.500 3.811 3.500 4.231 . 0 0 "[ . 1 . 2]" 1
967 1 104 PRO HA 1 104 PRO HG2 . . 4.000 3.930 3.785 4.040 0.040 18 0 "[ . 1 . 2]" 1
968 1 104 PRO HA 1 104 PRO HG3 . . 4.000 2.960 2.645 3.322 . 0 0 "[ . 1 . 2]" 1
969 1 103 LEU H 1 104 PRO HD2 . . 4.500 2.849 2.344 3.209 . 0 0 "[ . 1 . 2]" 1
970 1 102 GLY H 1 104 PRO HD2 . . 5.500 3.899 3.733 4.119 . 0 0 "[ . 1 . 2]" 1
971 1 103 LEU QB 1 104 PRO HD2 . . 5.500 2.815 2.509 3.065 . 0 0 "[ . 1 . 2]" 1
972 1 103 LEU H 1 104 PRO HD3 . . 4.500 3.544 3.026 4.148 . 0 0 "[ . 1 . 2]" 1
973 1 102 GLY H 1 104 PRO HD3 . . 5.500 5.363 4.970 5.556 0.056 9 0 "[ . 1 . 2]" 1
974 1 103 LEU QB 1 104 PRO HD3 . . 5.500 2.195 1.963 2.524 . 0 0 "[ . 1 . 2]" 1
975 1 103 LEU MD1 1 104 PRO HD3 . . 5.500 4.260 3.936 4.481 . 0 0 "[ . 1 . 2]" 1
976 1 105 THR H 1 106 LEU H . . 3.000 2.773 2.450 3.004 0.004 3 0 "[ . 1 . 2]" 1
977 1 105 THR H 1 105 THR HB . . 3.500 2.607 2.219 2.940 . 0 0 "[ . 1 . 2]" 1
978 1 105 THR H 1 105 THR HA . . 3.000 2.961 2.849 3.034 0.034 8 0 "[ . 1 . 2]" 1
979 1 104 PRO HA 1 105 THR H . . 5.500 3.544 3.421 3.666 . 0 0 "[ . 1 . 2]" 1
980 1 104 PRO HD2 1 105 THR H . . 5.500 3.246 2.921 3.529 . 0 0 "[ . 1 . 2]" 1
981 1 104 PRO HD3 1 105 THR H . . 5.500 4.414 4.202 4.613 . 0 0 "[ . 1 . 2]" 1
982 1 104 PRO HB2 1 105 THR H . . 5.500 2.759 2.466 3.157 . 0 0 "[ . 1 . 2]" 1
983 1 104 PRO HB3 1 105 THR H . . 5.500 4.020 3.794 4.303 . 0 0 "[ . 1 . 2]" 1
984 1 104 PRO HG2 1 105 THR H . . 5.500 4.446 4.084 4.701 . 0 0 "[ . 1 . 2]" 1
985 1 104 PRO HG3 1 105 THR H . . 5.500 4.852 4.643 5.053 . 0 0 "[ . 1 . 2]" 1
986 1 103 LEU QB 1 105 THR H . . 5.500 4.867 4.754 4.945 . 0 0 "[ . 1 . 2]" 1
987 1 105 THR HA 1 108 ALA H . . 4.500 3.928 3.603 4.370 . 0 0 "[ . 1 . 2]" 1
988 1 105 THR HA 1 106 LEU H . . 4.500 3.553 3.388 3.720 . 0 0 "[ . 1 . 2]" 1
989 1 105 THR HB 1 106 LEU H . . 3.500 2.545 2.158 2.863 . 0 0 "[ . 1 . 2]" 1
990 1 106 LEU H 1 106 LEU HA . . 3.000 2.843 2.702 2.971 . 0 0 "[ . 1 . 2]" 1
991 1 106 LEU H 1 106 LEU HB2 . . 3.500 2.473 2.040 2.783 . 0 0 "[ . 1 . 2]" 1
992 1 106 LEU H 1 106 LEU HG . . 4.500 4.445 4.348 4.546 0.046 18 0 "[ . 1 . 2]" 1
993 1 106 LEU H 1 106 LEU HB3 . . 3.500 2.372 2.141 2.632 . 0 0 "[ . 1 . 2]" 1
994 1 106 LEU H 1 106 LEU MD1 . . 5.500 4.332 4.016 4.532 . 0 0 "[ . 1 . 2]" 1
995 1 106 LEU H 1 106 LEU MD2 . . 5.500 4.203 3.948 4.389 . 0 0 "[ . 1 . 2]" 1
996 1 106 LEU H 1 108 ALA H . . 5.500 4.492 4.129 5.028 . 0 0 "[ . 1 . 2]" 1
997 1 105 THR MG 1 106 LEU H . . 5.500 3.421 3.019 3.897 . 0 0 "[ . 1 . 2]" 1
998 1 106 LEU HA 1 106 LEU HG . . 4.500 3.306 2.999 3.516 . 0 0 "[ . 1 . 2]" 1
999 1 105 THR H 1 106 LEU HB2 . . 5.500 5.084 4.542 5.461 . 0 0 "[ . 1 . 2]" 1
1000 1 105 THR H 1 106 LEU HB3 . . 5.500 4.585 4.140 4.939 . 0 0 "[ . 1 . 2]" 1
1001 1 107 VAL H 1 108 ALA H . . 3.500 2.883 2.665 3.242 . 0 0 "[ . 1 . 2]" 1
1002 1 105 THR H 1 107 VAL H . . 4.500 4.232 4.005 4.468 . 0 0 "[ . 1 . 2]" 1
1003 1 105 THR HB 1 107 VAL H . . 5.500 5.264 5.022 5.520 0.020 7 0 "[ . 1 . 2]" 1
1004 1 106 LEU HA 1 107 VAL H . . 3.800 3.521 3.408 3.645 . 0 0 "[ . 1 . 2]" 1
1005 1 107 VAL H 1 107 VAL HA . . 3.000 2.937 2.732 3.056 0.056 17 0 "[ . 1 . 2]" 1
1006 1 107 VAL H 1 107 VAL HB . . 2.500 2.469 2.280 2.603 0.103 17 0 "[ . 1 . 2]" 1
1007 1 107 VAL H 1 109 LYS H . . 5.500 4.365 3.958 4.696 . 0 0 "[ . 1 . 2]" 1
1008 1 107 VAL HA 1 108 ALA H . . 5.500 3.598 3.430 3.737 . 0 0 "[ . 1 . 2]" 1
1009 1 107 VAL HA 1 110 HIS H . . 5.500 3.208 3.045 3.333 . 0 0 "[ . 1 . 2]" 1
1010 1 107 VAL HB 1 109 LYS H . . 5.500 5.412 5.198 5.554 0.054 8 0 "[ . 1 . 2]" 1
1011 1 106 LEU MD1 1 107 VAL H . . 5.500 4.477 4.284 4.614 . 0 0 "[ . 1 . 2]" 1
1012 1 106 LEU HB2 1 107 VAL H . . 5.500 3.924 3.668 4.145 . 0 0 "[ . 1 . 2]" 1
1013 1 108 ALA H 1 109 LYS H . . 3.500 2.966 2.513 3.443 . 0 0 "[ . 1 . 2]" 1
1014 1 108 ALA H 1 108 ALA HA . . 3.000 2.822 2.586 3.040 0.040 19 0 "[ . 1 . 2]" 1
1015 1 107 VAL HB 1 108 ALA H . . 4.500 2.817 2.537 3.114 . 0 0 "[ . 1 . 2]" 1
1016 1 108 ALA H 1 108 ALA MB . . 3.500 2.256 2.141 2.370 . 0 0 "[ . 1 . 2]" 1
1017 1 107 VAL MG1 1 108 ALA H . . 5.500 3.278 2.700 3.681 . 0 0 "[ . 1 . 2]" 1
1018 1 107 VAL MG2 1 108 ALA H . . 5.500 4.145 3.970 4.343 . 0 0 "[ . 1 . 2]" 1
1019 1 108 ALA HA 1 111 ALA H . . 5.500 3.990 3.545 4.521 . 0 0 "[ . 1 . 2]" 1
1020 1 108 ALA HA 1 110 HIS H . . 5.500 4.483 4.308 4.798 . 0 0 "[ . 1 . 2]" 1
1021 1 108 ALA HA 1 111 ALA MB . . 5.500 2.885 2.270 3.484 . 0 0 "[ . 1 . 2]" 1
1022 1 108 ALA MB 1 110 HIS H . . 5.500 4.579 4.424 4.643 . 0 0 "[ . 1 . 2]" 1
1023 1 108 ALA MB 1 109 LYS H . . 5.500 2.389 2.303 2.581 . 0 0 "[ . 1 . 2]" 1
1024 1 107 VAL H 1 108 ALA MB . . 5.500 4.417 4.261 4.498 . 0 0 "[ . 1 . 2]" 1
1025 1 109 LYS H 1 110 HIS H . . 5.500 2.918 2.706 3.175 . 0 0 "[ . 1 . 2]" 1
1026 1 109 LYS H 1 111 ALA H . . 5.500 4.667 4.105 5.038 . 0 0 "[ . 1 . 2]" 1
1027 1 109 LYS H 1 109 LYS HA . . 3.000 2.924 2.809 3.044 0.044 15 0 "[ . 1 . 2]" 1
1028 1 109 LYS HA 1 109 LYS HG2 . . 4.500 2.638 2.302 3.050 . 0 0 "[ . 1 . 2]" 1
1029 1 109 LYS HA 1 109 LYS HG3 . . 4.500 2.973 2.604 3.189 . 0 0 "[ . 1 . 2]" 1
1030 1 109 LYS H 1 109 LYS HB2 . . 4.000 2.624 2.404 3.059 . 0 0 "[ . 1 . 2]" 1
1031 1 109 LYS H 1 109 LYS HB3 . . 4.000 3.725 3.631 3.835 . 0 0 "[ . 1 . 2]" 1
1032 1 109 LYS H 1 109 LYS HG2 . . 5.500 3.802 3.501 4.110 . 0 0 "[ . 1 . 2]" 1
1033 1 109 LYS H 1 109 LYS HG3 . . 3.500 2.584 2.235 3.073 . 0 0 "[ . 1 . 2]" 1
1034 1 110 HIS H 1 111 ALA H . . 3.500 2.690 2.444 3.039 . 0 0 "[ . 1 . 2]" 1
1035 1 110 HIS H 1 110 HIS HA . . 3.000 2.934 2.762 3.023 0.023 2 0 "[ . 1 . 2]" 1
1036 1 109 LYS HA 1 110 HIS H . . 4.000 3.635 3.471 3.775 . 0 0 "[ . 1 . 2]" 1
1037 1 110 HIS H 1 110 HIS HB2 . . 3.500 2.299 2.088 2.598 . 0 0 "[ . 1 . 2]" 1
1038 1 110 HIS H 1 110 HIS HB3 . . 3.500 3.508 3.383 3.589 0.089 9 0 "[ . 1 . 2]" 1
1039 1 109 LYS HB2 1 110 HIS H . . 4.500 2.885 2.550 3.312 . 0 0 "[ . 1 . 2]" 1
1040 1 109 LYS HB3 1 110 HIS H . . 5.000 3.698 3.488 3.900 . 0 0 "[ . 1 . 2]" 1
1041 1 107 VAL MG2 1 110 HIS H . . 6.000 4.947 4.831 5.040 . 0 0 "[ . 1 . 2]" 1
1042 1 28 LEU MD1 1 110 HIS HB2 . . 5.500 4.135 3.551 4.444 . 0 0 "[ . 1 . 2]" 1
1043 1 28 LEU MD2 1 110 HIS HB3 . . 5.500 2.128 1.918 2.481 . 0 0 "[ . 1 . 2]" 1
1044 1 111 ALA H 1 112 THR H . . 3.500 2.946 2.553 3.170 . 0 0 "[ . 1 . 2]" 1
1045 1 110 HIS HA 1 111 ALA H . . 3.800 3.488 3.319 3.770 . 0 0 "[ . 1 . 2]" 1
1046 1 111 ALA H 1 111 ALA HA . . 3.000 2.893 2.780 3.000 . 0 0 "[ . 1 . 2]" 1
1047 1 109 LYS HA 1 111 ALA H . . 5.500 5.107 4.717 5.512 0.012 7 0 "[ . 1 . 2]" 1
1048 1 111 ALA H 1 111 ALA MB . . 3.500 2.236 2.056 2.383 . 0 0 "[ . 1 . 2]" 1
1049 1 58 VAL MG2 1 111 ALA HA . . 6.500 5.014 4.446 5.254 . 0 0 "[ . 1 . 2]" 1
1050 1 58 VAL MG1 1 111 ALA HA . . 6.500 4.816 4.379 5.229 . 0 0 "[ . 1 . 2]" 1
1051 1 28 LEU MD2 1 111 ALA HA . . 6.000 2.721 2.128 3.308 . 0 0 "[ . 1 . 2]" 1
1052 1 111 ALA MB 1 112 THR H . . 6.500 2.619 2.391 2.911 . 0 0 "[ . 1 . 2]" 1
1053 1 58 VAL MG2 1 111 ALA MB . . 6.500 3.752 2.716 4.158 . 0 0 "[ . 1 . 2]" 1
1054 1 58 VAL MG1 1 111 ALA MB . . 6.500 3.079 2.570 3.432 . 0 0 "[ . 1 . 2]" 1
1055 1 28 LEU MD2 1 111 ALA MB . . 5.500 2.722 2.037 3.222 . 0 0 "[ . 1 . 2]" 1
1056 1 110 HIS H 1 111 ALA MB . . 5.500 4.251 3.908 4.445 . 0 0 "[ . 1 . 2]" 1
1057 1 112 THR H 1 113 ALA H . . 3.500 2.943 2.652 3.480 . 0 0 "[ . 1 . 2]" 1
1058 1 112 THR H 1 112 THR HB . . 4.000 2.651 2.362 2.881 . 0 0 "[ . 1 . 2]" 1
1059 1 111 ALA HA 1 112 THR H . . 4.500 3.546 3.388 3.759 . 0 0 "[ . 1 . 2]" 1
1060 1 110 HIS HB2 1 112 THR H . . 5.500 5.416 5.249 5.521 0.021 1 0 "[ . 1 . 2]" 1
1061 1 112 THR HB 1 113 ALA H . . 4.000 2.494 2.104 2.999 . 0 0 "[ . 1 . 2]" 1
1062 1 112 THR HA 1 113 ALA H . . 4.000 3.578 3.398 3.677 . 0 0 "[ . 1 . 2]" 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 18
_Distance_constraint_stats_list.Viol_count 15
_Distance_constraint_stats_list.Viol_total 6.778
_Distance_constraint_stats_list.Viol_max 0.076
_Distance_constraint_stats_list.Viol_rms 0.0060
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0226
_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 18 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LYS 0.007 0.007 1 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 SER 0.164 0.044 14 0 "[ . 1 . 2]"
1 26 GLN 0.034 0.034 19 0 "[ . 1 . 2]"
1 29 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 TRP 0.133 0.076 10 0 "[ . 1 . 2]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASP 0.133 0.076 10 0 "[ . 1 . 2]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ASP 0.199 0.044 14 0 "[ . 1 . 2]"
1 89 GLY 0.007 0.007 1 0 "[ . 1 . 2]"
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 37 TRP HE1 1 66 ASP OD1 . . 2.400 2.233 1.847 2.422 0.022 15 0 "[ . 1 . 2]" 2
2 1 37 TRP NE1 1 66 ASP OD1 . . 3.300 3.152 2.855 3.376 0.076 10 0 "[ . 1 . 2]" 2
3 1 18 HIS H 1 61 LEU MD1 . . 5.500 4.276 3.869 4.490 . 0 0 "[ . 1 . 2]" 2
4 1 18 HIS H 1 61 LEU MD2 . . 6.000 3.338 2.869 3.677 . 0 0 "[ . 1 . 2]" 2
5 1 19 PHE H 1 29 ILE MD . . 5.500 4.423 4.124 4.614 . 0 0 "[ . 1 . 2]" 2
6 1 19 PHE H 1 61 LEU MD2 . . 6.000 4.943 4.771 5.041 . 0 0 "[ . 1 . 2]" 2
7 1 19 PHE HA 1 29 ILE MD . . 5.500 4.244 3.934 4.447 . 0 0 "[ . 1 . 2]" 2
8 1 22 GLY H 1 86 LEU MD1 . . 5.500 4.182 3.803 4.414 . 0 0 "[ . 1 . 2]" 2
9 1 23 LYS H 1 89 GLY H . . 6.000 5.757 5.247 6.007 0.007 1 0 "[ . 1 . 2]" 2
10 1 23 LYS HA 1 89 GLY H . . 5.500 4.380 3.567 5.012 . 0 0 "[ . 1 . 2]" 2
11 1 24 GLY H 1 88 ASP H . . 6.000 5.086 4.615 5.488 . 0 0 "[ . 1 . 2]" 2
12 1 24 GLY H 1 88 ASP HB2 . . 5.500 3.923 2.946 4.694 . 0 0 "[ . 1 . 2]" 2
13 1 24 GLY H 1 88 ASP HB3 . . 5.500 3.734 3.044 4.266 . 0 0 "[ . 1 . 2]" 2
14 1 25 SER H 1 88 ASP H . . 5.500 5.454 5.359 5.544 0.044 14 0 "[ . 1 . 2]" 2
15 1 25 SER H 1 88 ASP HB2 . . 5.500 4.893 4.260 5.412 . 0 0 "[ . 1 . 2]" 2
16 1 26 GLN H 1 88 ASP HB2 . . 5.500 5.138 4.708 5.534 0.034 19 0 "[ . 1 . 2]" 2
17 1 26 GLN HE21 1 88 ASP HB2 . . 5.500 3.235 2.167 4.686 . 0 0 "[ . 1 . 2]" 2
18 1 26 GLN HE22 1 88 ASP HB2 . . 5.500 4.529 2.948 5.473 . 0 0 "[ . 1 . 2]" 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 122
_Distance_constraint_stats_list.Viol_count 334
_Distance_constraint_stats_list.Viol_total 229.720
_Distance_constraint_stats_list.Viol_max 0.174
_Distance_constraint_stats_list.Viol_rms 0.0155
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.0344
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 GLN 0.288 0.074 6 0 "[ . 1 . 2]"
1 7 ILE 0.239 0.092 16 0 "[ . 1 . 2]"
1 9 CYS 0.186 0.050 16 0 "[ . 1 . 2]"
1 12 VAL 0.740 0.133 19 0 "[ . 1 . 2]"
1 13 ASP 0.063 0.024 9 0 "[ . 1 . 2]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LYS 0.740 0.133 19 0 "[ . 1 . 2]"
1 17 GLU 0.259 0.054 2 0 "[ . 1 . 2]"
1 18 HIS 0.074 0.032 3 0 "[ . 1 . 2]"
1 19 PHE 0.226 0.072 3 0 "[ . 1 . 2]"
1 21 LYS 0.753 0.065 19 0 "[ . 1 . 2]"
1 22 GLY 0.074 0.032 3 0 "[ . 1 . 2]"
1 23 LYS 0.226 0.072 3 0 "[ . 1 . 2]"
1 25 SER 0.557 0.065 19 0 "[ . 1 . 2]"
1 27 LYS 0.419 0.071 13 0 "[ . 1 . 2]"
1 28 LEU 0.640 0.072 13 0 "[ . 1 . 2]"
1 29 ILE 0.120 0.047 20 0 "[ . 1 . 2]"
1 30 VAL 0.093 0.040 7 0 "[ . 1 . 2]"
1 31 VAL 0.223 0.055 16 0 "[ . 1 . 2]"
1 32 ASP 0.092 0.031 9 0 "[ . 1 . 2]"
1 33 PHE 0.951 0.174 9 0 "[ . 1 . 2]"
1 34 THR 0.490 0.108 7 0 "[ . 1 . 2]"
1 38 CYS 0.068 0.041 12 0 "[ . 1 . 2]"
1 39 PRO 0.521 0.057 18 0 "[ . 1 . 2]"
1 40 PRO 0.078 0.028 15 0 "[ . 1 . 2]"
1 41 CYS 0.065 0.041 12 0 "[ . 1 . 2]"
1 42 LYS 0.003 0.003 12 0 "[ . 1 . 2]"
1 43 MET 1.155 0.091 13 0 "[ . 1 . 2]"
1 44 ILE 0.078 0.028 15 0 "[ . 1 . 2]"
1 45 ALA 0.036 0.020 2 0 "[ . 1 . 2]"
1 46 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 0.634 0.091 13 0 "[ . 1 . 2]"
1 48 PHE 0.066 0.037 7 0 "[ . 1 . 2]"
1 49 ALA 0.049 0.020 2 0 "[ . 1 . 2]"
1 50 GLU 0.468 0.083 10 0 "[ . 1 . 2]"
1 51 LEU 0.385 0.061 5 0 "[ . 1 . 2]"
1 52 ALA 0.066 0.037 7 0 "[ . 1 . 2]"
1 53 LYS 0.013 0.013 7 0 "[ . 1 . 2]"
1 54 LYS 0.468 0.083 10 0 "[ . 1 . 2]"
1 55 PHE 0.385 0.061 5 0 "[ . 1 . 2]"
1 57 ASN 0.560 0.072 13 0 "[ . 1 . 2]"
1 59 THR 0.129 0.064 15 0 "[ . 1 . 2]"
1 60 PHE 0.331 0.074 6 0 "[ . 1 . 2]"
1 61 LEU 0.097 0.024 16 0 "[ . 1 . 2]"
1 62 LYS 0.196 0.092 16 0 "[ . 1 . 2]"
1 63 VAL 0.529 0.108 7 0 "[ . 1 . 2]"
1 64 ASP 0.186 0.050 16 0 "[ . 1 . 2]"
1 65 VAL 0.141 0.060 6 0 "[ . 1 . 2]"
1 68 LEU 0.360 0.061 15 0 "[ . 1 . 2]"
1 69 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ALA 0.348 0.104 16 0 "[ . 1 . 2]"
1 71 VAL 0.062 0.053 5 0 "[ . 1 . 2]"
1 72 ALA 0.446 0.084 6 0 "[ . 1 . 2]"
1 73 GLU 1.496 0.133 4 0 "[ . 1 . 2]"
1 74 GLU 0.348 0.104 16 0 "[ . 1 . 2]"
1 75 TRP 0.062 0.053 5 0 "[ . 1 . 2]"
1 76 ASN 0.227 0.084 6 0 "[ . 1 . 2]"
1 77 VAL 1.496 0.133 4 0 "[ . 1 . 2]"
1 81 PRO 0.223 0.105 19 0 "[ . 1 . 2]"
1 82 THR 0.951 0.174 9 0 "[ . 1 . 2]"
1 83 PHE 0.069 0.032 14 0 "[ . 1 . 2]"
1 84 ILE 0.223 0.055 16 0 "[ . 1 . 2]"
1 85 PHE 0.167 0.084 8 0 "[ . 1 . 2]"
1 86 LEU 0.120 0.047 20 0 "[ . 1 . 2]"
1 88 ASP 0.419 0.071 13 0 "[ . 1 . 2]"
1 93 ASP 0.167 0.084 8 0 "[ . 1 . 2]"
1 95 THR 0.069 0.032 14 0 "[ . 1 . 2]"
1 97 GLY 0.223 0.105 19 0 "[ . 1 . 2]"
1 101 ASP 0.225 0.069 1 0 "[ . 1 . 2]"
1 102 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 LEU 0.051 0.046 6 0 "[ . 1 . 2]"
1 104 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 THR 0.354 0.069 1 0 "[ . 1 . 2]"
1 106 LEU 0.186 0.090 3 0 "[ . 1 . 2]"
1 107 VAL 0.051 0.046 6 0 "[ . 1 . 2]"
1 108 ALA 0.077 0.039 15 0 "[ . 1 . 2]"
1 109 LYS 0.129 0.047 3 0 "[ . 1 . 2]"
1 110 HIS 0.186 0.090 3 0 "[ . 1 . 2]"
1 111 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 THR 0.077 0.039 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 GLN O 1 60 PHE H . . 2.400 2.371 2.234 2.474 0.074 6 0 "[ . 1 . 2]" 3
2 1 5 GLN O 1 60 PHE N . . 3.500 3.200 3.031 3.332 . 0 0 "[ . 1 . 2]" 3
3 1 7 ILE H 1 60 PHE O . . 2.400 2.311 1.956 2.430 0.030 12 0 "[ . 1 . 2]" 3
4 1 7 ILE N 1 60 PHE O . . 3.500 3.235 2.907 3.353 . 0 0 "[ . 1 . 2]" 3
5 1 7 ILE O 1 62 LYS H . . 2.400 2.321 2.174 2.492 0.092 16 0 "[ . 1 . 2]" 3
6 1 7 ILE O 1 62 LYS N . . 3.500 3.205 3.037 3.310 . 0 0 "[ . 1 . 2]" 3
7 1 9 CYS H 1 62 LYS O . . 2.400 2.163 1.926 2.383 . 0 0 "[ . 1 . 2]" 3
8 1 9 CYS N 1 62 LYS O . . 3.500 3.060 2.848 3.293 . 0 0 "[ . 1 . 2]" 3
9 1 9 CYS O 1 64 ASP H . . 2.400 2.332 2.101 2.450 0.050 16 0 "[ . 1 . 2]" 3
10 1 9 CYS O 1 64 ASP N . . 3.500 3.339 3.028 3.475 . 0 0 "[ . 1 . 2]" 3
11 1 28 LEU H 1 57 ASN O . . 2.400 2.411 2.279 2.472 0.072 13 0 "[ . 1 . 2]" 3
12 1 28 LEU N 1 57 ASN O . . 3.500 3.417 3.282 3.509 0.009 7 0 "[ . 1 . 2]" 3
13 1 28 LEU O 1 59 THR H . . 2.400 2.281 2.043 2.464 0.064 15 0 "[ . 1 . 2]" 3
14 1 28 LEU O 1 59 THR N . . 3.500 3.197 2.905 3.392 . 0 0 "[ . 1 . 2]" 3
15 1 30 VAL H 1 59 THR O . . 2.400 2.249 2.004 2.440 0.040 7 0 "[ . 1 . 2]" 3
16 1 30 VAL N 1 59 THR O . . 3.500 3.180 2.974 3.364 . 0 0 "[ . 1 . 2]" 3
17 1 30 VAL O 1 61 LEU H . . 2.400 2.224 1.973 2.424 0.024 16 0 "[ . 1 . 2]" 3
18 1 30 VAL O 1 61 LEU N . . 3.500 3.225 2.968 3.439 . 0 0 "[ . 1 . 2]" 3
19 1 32 ASP H 1 61 LEU O . . 2.400 2.319 2.074 2.418 0.018 17 0 "[ . 1 . 2]" 3
20 1 32 ASP N 1 61 LEU O . . 3.500 3.255 2.964 3.382 . 0 0 "[ . 1 . 2]" 3
21 1 32 ASP O 1 63 VAL H . . 2.400 2.136 1.766 2.431 0.031 9 0 "[ . 1 . 2]" 3
22 1 32 ASP O 1 63 VAL N . . 3.500 3.072 2.734 3.279 . 0 0 "[ . 1 . 2]" 3
23 1 34 THR H 1 63 VAL O . . 2.400 2.393 2.149 2.508 0.108 7 0 "[ . 1 . 2]" 3
24 1 34 THR N 1 63 VAL O . . 3.500 3.294 3.119 3.450 . 0 0 "[ . 1 . 2]" 3
25 1 34 THR O 1 65 VAL H . . 2.400 2.125 1.869 2.398 . 0 0 "[ . 1 . 2]" 3
26 1 34 THR O 1 65 VAL N . . 3.500 3.123 2.872 3.375 . 0 0 "[ . 1 . 2]" 3
27 1 27 LYS O 1 88 ASP H . . 2.400 2.396 2.275 2.471 0.071 13 0 "[ . 1 . 2]" 3
28 1 27 LYS O 1 88 ASP N . . 3.500 3.379 3.246 3.456 . 0 0 "[ . 1 . 2]" 3
29 1 29 ILE H 1 86 LEU O . . 2.400 2.186 1.979 2.436 0.036 8 0 "[ . 1 . 2]" 3
30 1 29 ILE N 1 86 LEU O . . 3.500 2.999 2.859 3.190 . 0 0 "[ . 1 . 2]" 3
31 1 29 ILE O 1 86 LEU H . . 2.400 2.194 1.903 2.447 0.047 20 0 "[ . 1 . 2]" 3
32 1 29 ILE O 1 86 LEU N . . 3.500 3.173 2.939 3.445 . 0 0 "[ . 1 . 2]" 3
33 1 31 VAL H 1 84 ILE O . . 2.400 2.240 2.023 2.450 0.050 13 0 "[ . 1 . 2]" 3
34 1 31 VAL N 1 84 ILE O . . 3.500 3.160 2.985 3.443 . 0 0 "[ . 1 . 2]" 3
35 1 31 VAL O 1 84 ILE H . . 2.400 2.260 1.930 2.455 0.055 16 0 "[ . 1 . 2]" 3
36 1 31 VAL O 1 84 ILE N . . 3.500 3.208 2.932 3.454 . 0 0 "[ . 1 . 2]" 3
37 1 33 PHE H 1 82 THR O . . 2.400 2.129 1.774 2.399 . 0 0 "[ . 1 . 2]" 3
38 1 33 PHE N 1 82 THR O . . 3.500 2.963 2.767 3.276 . 0 0 "[ . 1 . 2]" 3
39 1 33 PHE O 1 82 THR H . . 2.400 2.430 2.248 2.574 0.174 9 0 "[ . 1 . 2]" 3
40 1 33 PHE O 1 82 THR N . . 3.500 3.326 3.202 3.517 0.017 2 0 "[ . 1 . 2]" 3
41 1 85 PHE O 1 93 ASP H . . 2.400 2.344 2.173 2.484 0.084 8 0 "[ . 1 . 2]" 3
42 1 85 PHE O 1 93 ASP N . . 3.500 3.329 3.161 3.426 . 0 0 "[ . 1 . 2]" 3
43 1 85 PHE H 1 93 ASP O . . 2.400 2.209 1.970 2.419 0.019 2 0 "[ . 1 . 2]" 3
44 1 85 PHE N 1 93 ASP O . . 3.500 3.115 2.988 3.245 . 0 0 "[ . 1 . 2]" 3
45 1 83 PHE O 1 95 THR H . . 2.400 2.284 2.027 2.432 0.032 14 0 "[ . 1 . 2]" 3
46 1 83 PHE O 1 95 THR N . . 3.500 3.146 2.988 3.338 . 0 0 "[ . 1 . 2]" 3
47 1 83 PHE H 1 95 THR O . . 2.400 2.075 1.793 2.381 . 0 0 "[ . 1 . 2]" 3
48 1 83 PHE N 1 95 THR O . . 3.500 3.013 2.811 3.349 . 0 0 "[ . 1 . 2]" 3
49 1 81 PRO O 1 97 GLY H . . 2.400 2.255 1.930 2.505 0.105 19 0 "[ . 1 . 2]" 3
50 1 81 PRO O 1 97 GLY N . . 3.500 3.123 2.903 3.374 . 0 0 "[ . 1 . 2]" 3
51 1 12 VAL O 1 16 LYS H . . 2.400 2.358 2.247 2.446 0.046 8 0 "[ . 1 . 2]" 3
52 1 12 VAL O 1 16 LYS N . . 3.300 3.319 3.205 3.433 0.133 19 0 "[ . 1 . 2]" 3
53 1 13 ASP O 1 17 GLU H . . 2.400 2.252 1.874 2.418 0.018 6 0 "[ . 1 . 2]" 3
54 1 13 ASP O 1 17 GLU N . . 3.300 3.157 2.887 3.324 0.024 9 0 "[ . 1 . 2]" 3
55 1 14 THR O 1 18 HIS H . . 2.400 1.841 1.688 2.059 . 0 0 "[ . 1 . 2]" 3
56 1 14 THR O 1 18 HIS N . . 3.300 2.836 2.707 2.956 . 0 0 "[ . 1 . 2]" 3
57 1 17 GLU O 1 21 LYS H . . 2.400 2.322 2.169 2.415 0.015 1 0 "[ . 1 . 2]" 3
58 1 17 GLU O 1 21 LYS N . . 3.300 3.264 3.106 3.354 0.054 2 0 "[ . 1 . 2]" 3
59 1 18 HIS O 1 22 GLY H . . 2.400 2.169 1.892 2.431 0.031 2 0 "[ . 1 . 2]" 3
60 1 18 HIS O 1 22 GLY N . . 3.300 3.079 2.913 3.332 0.032 3 0 "[ . 1 . 2]" 3
61 1 19 PHE O 1 23 LYS H . . 2.400 2.374 2.239 2.472 0.072 3 0 "[ . 1 . 2]" 3
62 1 19 PHE O 1 23 LYS N . . 3.300 3.156 2.985 3.295 . 0 0 "[ . 1 . 2]" 3
63 1 21 LYS O 1 25 SER H . . 2.400 2.402 2.201 2.465 0.065 19 0 "[ . 1 . 2]" 3
64 1 21 LYS O 1 25 SER N . . 3.300 3.203 2.928 3.329 0.029 2 0 "[ . 1 . 2]" 3
65 1 38 CYS SG 1 41 CYS H . . 2.400 2.295 2.078 2.414 0.014 11 0 "[ . 1 . 2]" 3
66 1 38 CYS SG 1 41 CYS N . . 3.300 3.207 3.000 3.341 0.041 12 0 "[ . 1 . 2]" 3
67 1 38 CYS O 1 42 LYS H . . 2.400 2.125 1.844 2.403 0.003 12 0 "[ . 1 . 2]" 3
68 1 38 CYS O 1 42 LYS N . . 3.300 2.952 2.716 3.198 . 0 0 "[ . 1 . 2]" 3
69 1 39 PRO O 1 43 MET H . . 2.400 2.322 2.150 2.446 0.046 15 0 "[ . 1 . 2]" 3
70 1 39 PRO O 1 43 MET N . . 3.300 3.294 3.138 3.357 0.057 18 0 "[ . 1 . 2]" 3
71 1 40 PRO O 1 44 ILE H . . 2.400 2.178 1.845 2.426 0.026 2 0 "[ . 1 . 2]" 3
72 1 40 PRO O 1 44 ILE N . . 3.300 3.128 2.794 3.328 0.028 15 0 "[ . 1 . 2]" 3
73 1 41 CYS O 1 45 ALA H . . 2.400 2.119 1.825 2.382 . 0 0 "[ . 1 . 2]" 3
74 1 41 CYS O 1 45 ALA N . . 3.300 2.997 2.816 3.177 . 0 0 "[ . 1 . 2]" 3
75 1 43 MET O 1 47 ILE H . . 2.400 2.354 2.279 2.434 0.034 16 0 "[ . 1 . 2]" 3
76 1 43 MET O 1 47 ILE N . . 3.300 3.320 3.215 3.391 0.091 13 0 "[ . 1 . 2]" 3
77 1 44 ILE O 1 48 PHE H . . 2.400 1.871 1.710 2.033 . 0 0 "[ . 1 . 2]" 3
78 1 44 ILE O 1 48 PHE N . . 3.300 2.853 2.724 3.015 . 0 0 "[ . 1 . 2]" 3
79 1 45 ALA O 1 49 ALA H . . 2.400 2.220 1.866 2.401 0.001 1 0 "[ . 1 . 2]" 3
80 1 45 ALA O 1 49 ALA N . . 3.300 3.116 2.845 3.320 0.020 2 0 "[ . 1 . 2]" 3
81 1 46 PRO O 1 50 GLU H . . 2.400 2.039 1.847 2.379 . 0 0 "[ . 1 . 2]" 3
82 1 46 PRO O 1 50 GLU N . . 3.300 3.003 2.859 3.220 . 0 0 "[ . 1 . 2]" 3
83 1 47 ILE O 1 51 LEU H . . 2.400 2.043 1.831 2.255 . 0 0 "[ . 1 . 2]" 3
84 1 47 ILE O 1 51 LEU N . . 3.300 3.024 2.803 3.239 . 0 0 "[ . 1 . 2]" 3
85 1 48 PHE O 1 52 ALA H . . 2.400 2.241 1.876 2.437 0.037 7 0 "[ . 1 . 2]" 3
86 1 48 PHE O 1 52 ALA N . . 3.300 3.030 2.768 3.256 . 0 0 "[ . 1 . 2]" 3
87 1 49 ALA O 1 53 LYS H . . 2.400 2.276 2.038 2.413 0.013 7 0 "[ . 1 . 2]" 3
88 1 49 ALA O 1 53 LYS N . . 3.300 3.115 2.910 3.224 . 0 0 "[ . 1 . 2]" 3
89 1 50 GLU O 1 54 LYS H . . 2.400 2.403 2.265 2.483 0.083 10 0 "[ . 1 . 2]" 3
90 1 50 GLU O 1 54 LYS N . . 3.300 3.079 2.927 3.269 . 0 0 "[ . 1 . 2]" 3
91 1 51 LEU O 1 55 PHE H . . 2.400 2.387 2.297 2.461 0.061 5 0 "[ . 1 . 2]" 3
92 1 51 LEU O 1 55 PHE N . . 3.300 3.244 3.090 3.329 0.029 8 0 "[ . 1 . 2]" 3
93 1 65 VAL O 1 68 LEU H . . 2.400 2.306 2.045 2.460 0.060 6 0 "[ . 1 . 2]" 3
94 1 65 VAL O 1 68 LEU N . . 3.300 3.097 2.811 3.294 . 0 0 "[ . 1 . 2]" 3
95 1 68 LEU O 1 72 ALA H . . 2.400 2.350 2.217 2.446 0.046 15 0 "[ . 1 . 2]" 3
96 1 68 LEU O 1 72 ALA N . . 3.300 3.232 2.983 3.361 0.061 15 0 "[ . 1 . 2]" 3
97 1 69 LYS O 1 73 GLU H . . 2.400 2.142 1.902 2.374 . 0 0 "[ . 1 . 2]" 3
98 1 69 LYS O 1 73 GLU N . . 3.300 3.048 2.862 3.203 . 0 0 "[ . 1 . 2]" 3
99 1 70 ALA O 1 74 GLU H . . 2.400 2.325 2.079 2.504 0.104 16 0 "[ . 1 . 2]" 3
100 1 70 ALA O 1 74 GLU N . . 3.300 3.170 2.910 3.358 0.058 11 0 "[ . 1 . 2]" 3
101 1 71 VAL O 1 75 TRP H . . 2.400 2.229 1.973 2.363 . 0 0 "[ . 1 . 2]" 3
102 1 71 VAL O 1 75 TRP N . . 3.300 3.188 2.802 3.353 0.053 5 0 "[ . 1 . 2]" 3
103 1 72 ALA O 1 76 ASN H . . 2.400 2.259 2.073 2.392 . 0 0 "[ . 1 . 2]" 3
104 1 72 ALA O 1 76 ASN N . . 3.300 3.246 3.072 3.384 0.084 6 0 "[ . 1 . 2]" 3
105 1 73 GLU O 1 77 VAL H . . 2.400 2.415 2.306 2.518 0.118 11 0 "[ . 1 . 2]" 3
106 1 73 GLU O 1 77 VAL N . . 3.300 3.346 3.276 3.433 0.133 4 0 "[ . 1 . 2]" 3
107 1 101 ASP O 1 105 THR H . . 2.400 2.292 2.048 2.469 0.069 1 0 "[ . 1 . 2]" 3
108 1 101 ASP O 1 105 THR N . . 3.300 3.163 2.886 3.311 0.011 11 0 "[ . 1 . 2]" 3
109 1 102 GLY O 1 106 LEU H . . 2.400 2.093 1.818 2.385 . 0 0 "[ . 1 . 2]" 3
110 1 102 GLY O 1 106 LEU N . . 3.300 3.077 2.849 3.276 . 0 0 "[ . 1 . 2]" 3
111 1 103 LEU O 1 107 VAL H . . 2.400 2.170 1.975 2.324 . 0 0 "[ . 1 . 2]" 3
112 1 103 LEU O 1 107 VAL N . . 3.300 3.153 2.977 3.346 0.046 6 0 "[ . 1 . 2]" 3
113 1 104 PRO O 1 108 ALA H . . 2.400 2.101 1.708 2.327 . 0 0 "[ . 1 . 2]" 3
114 1 104 PRO O 1 108 ALA N . . 3.300 3.037 2.723 3.234 . 0 0 "[ . 1 . 2]" 3
115 1 105 THR O 1 109 LYS H . . 2.400 2.225 1.837 2.425 0.025 3 0 "[ . 1 . 2]" 3
116 1 105 THR O 1 109 LYS N . . 3.300 3.196 2.898 3.347 0.047 3 0 "[ . 1 . 2]" 3
117 1 106 LEU O 1 110 HIS H . . 2.400 2.249 1.849 2.490 0.090 3 0 "[ . 1 . 2]" 3
118 1 106 LEU O 1 110 HIS N . . 3.300 3.099 2.829 3.284 . 0 0 "[ . 1 . 2]" 3
119 1 107 VAL O 1 111 ALA H . . 2.400 1.868 1.671 2.031 . 0 0 "[ . 1 . 2]" 3
120 1 107 VAL O 1 111 ALA N . . 3.300 2.852 2.712 3.017 . 0 0 "[ . 1 . 2]" 3
121 1 108 ALA O 1 112 THR H . . 2.400 2.227 1.964 2.439 0.039 15 0 "[ . 1 . 2]" 3
122 1 108 ALA O 1 112 THR N . . 3.300 3.142 2.849 3.330 0.030 4 0 "[ . 1 . 2]" 3
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