NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
472213 |
2rqt   |
11081 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rqt
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 1016
_Distance_constraint_stats_list.Viol_count 1999
_Distance_constraint_stats_list.Viol_total 2839.983
_Distance_constraint_stats_list.Viol_max 0.876
_Distance_constraint_stats_list.Viol_rms 0.0320
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0070
_Distance_constraint_stats_list.Viol_average_violations_only 0.0710
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ARG 1.562 0.121 17 0 "[ . 1 . 2]"
1 3 ARG 8.587 0.261 13 0 "[ . 1 . 2]"
1 4 VAL 6.417 0.270 3 0 "[ . 1 . 2]"
1 5 LYS 9.845 0.281 11 0 "[ . 1 . 2]"
1 6 THR 3.483 0.194 19 0 "[ . 1 . 2]"
1 7 ILE 6.980 0.524 12 1 "[ . 1 + . 2]"
1 8 TYR 2.067 0.104 15 0 "[ . 1 . 2]"
1 9 ASP 1.165 0.116 11 0 "[ . 1 . 2]"
1 10 CYS 5.215 0.194 17 0 "[ . 1 . 2]"
1 11 GLN 1.905 0.184 4 0 "[ . 1 . 2]"
1 12 ALA 2.442 0.184 4 0 "[ . 1 . 2]"
1 13 ASP 0.024 0.012 7 0 "[ . 1 . 2]"
1 14 ASN 1.218 0.202 15 0 "[ . 1 . 2]"
1 15 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ASP 0.465 0.141 3 0 "[ . 1 . 2]"
1 17 GLU 3.258 0.202 15 0 "[ . 1 . 2]"
1 18 LEU 7.295 0.158 2 0 "[ . 1 . 2]"
1 19 THR 4.678 0.158 2 0 "[ . 1 . 2]"
1 20 PHE 8.930 0.194 17 0 "[ . 1 . 2]"
1 21 ILE 2.488 0.214 9 0 "[ . 1 . 2]"
1 22 GLU 2.858 0.197 9 0 "[ . 1 . 2]"
1 23 GLY 3.050 0.130 20 0 "[ . 1 . 2]"
1 24 GLU 2.566 0.214 9 0 "[ . 1 . 2]"
1 25 VAL 6.750 0.222 14 0 "[ . 1 . 2]"
1 26 ILE 11.212 0.249 3 0 "[ . 1 . 2]"
1 27 ILE 15.927 0.657 20 1 "[ . 1 . +]"
1 28 VAL 9.434 0.277 19 0 "[ . 1 . 2]"
1 29 THR 4.499 0.268 4 0 "[ . 1 . 2]"
1 30 GLY 0.163 0.058 6 0 "[ . 1 . 2]"
1 31 GLU 2.691 0.111 17 0 "[ . 1 . 2]"
1 32 GLU 3.876 0.194 19 0 "[ . 1 . 2]"
1 33 ASP 2.108 0.119 1 0 "[ . 1 . 2]"
1 34 GLN 1.709 0.132 1 0 "[ . 1 . 2]"
1 35 GLU 7.550 0.184 14 0 "[ . 1 . 2]"
1 36 TRP 7.785 0.184 14 0 "[ . 1 . 2]"
1 37 TRP 5.294 0.166 3 0 "[ . 1 . 2]"
1 38 ILE 4.510 0.116 19 0 "[ . 1 . 2]"
1 39 GLY 0.222 0.058 6 0 "[ . 1 . 2]"
1 40 HIS 26.783 0.655 20 1 "[ . 1 . +]"
1 41 ILE 2.239 0.274 6 0 "[ . 1 . 2]"
1 42 GLU 6.461 0.657 20 1 "[ . 1 . +]"
1 44 GLN 0.259 0.122 6 0 "[ . 1 . 2]"
1 45 PRO 0.945 0.079 1 0 "[ . 1 . 2]"
1 46 GLU 1.429 0.202 15 0 "[ . 1 . 2]"
1 47 ARG 4.837 0.274 6 0 "[ . 1 . 2]"
1 48 LYS 6.367 0.195 15 0 "[ . 1 . 2]"
1 49 GLY 4.541 0.179 14 0 "[ . 1 . 2]"
1 50 VAL 2.620 0.194 19 0 "[ . 1 . 2]"
1 51 PHE 6.759 0.159 20 0 "[ . 1 . 2]"
1 52 PRO 0.802 0.072 18 0 "[ . 1 . 2]"
1 53 VAL 5.419 0.627 4 5 "[ +* * 1* - 2]"
1 54 SER 6.748 0.627 4 5 "[ +* * 1* - 2]"
1 55 PHE 4.175 0.398 20 0 "[ . 1 . 2]"
1 56 VAL 4.250 0.524 12 1 "[ . 1 + . 2]"
1 57 HIS 9.945 0.876 8 3 "[ -. + 1 * . 2]"
1 58 ILE 11.234 0.876 8 3 "[ -. + 1 * . 2]"
1 59 LEU 5.003 0.261 13 0 "[ . 1 . 2]"
1 60 SER 1.548 0.141 15 0 "[ . 1 . 2]"
1 61 ASP 1.407 0.132 16 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 2 ARG H 1 27 ILE MG 5.000 . 5.000 4.004 3.538 4.551 . 0 0 "[ . 1 . 2]" 1
2 1 2 ARG HA 1 28 VAL HB 5.000 . 5.000 4.676 4.377 5.027 0.027 12 0 "[ . 1 . 2]" 1
3 1 2 ARG HA 1 58 ILE MG 6.000 . 6.000 4.194 3.698 5.106 . 0 0 "[ . 1 . 2]" 1
4 1 2 ARG QB 1 4 VAL MG1 6.000 . 6.000 4.659 4.006 5.341 . 0 0 "[ . 1 . 2]" 1
5 1 2 ARG QD 1 28 VAL HB 4.000 . 4.000 3.045 2.095 3.847 . 0 0 "[ . 1 . 2]" 1
6 1 2 ARG QD 1 28 VAL MG1 4.000 . 4.000 2.715 1.815 4.094 0.094 20 0 "[ . 1 . 2]" 1
7 1 2 ARG QD 1 28 VAL MG2 4.000 . 4.000 2.522 1.817 3.454 . 0 0 "[ . 1 . 2]" 1
8 1 2 ARG QD 1 37 TRP HZ3 4.000 . 4.000 2.448 1.809 3.513 . 0 0 "[ . 1 . 2]" 1
9 1 2 ARG QD 1 58 ILE MD 5.000 . 5.000 3.559 2.333 5.027 0.027 12 0 "[ . 1 . 2]" 1
10 1 2 ARG QG 1 4 VAL MG1 6.000 . 6.000 3.385 2.866 4.486 . 0 0 "[ . 1 . 2]" 1
11 1 2 ARG QG 1 28 VAL HB 5.000 . 5.000 2.827 1.736 3.866 0.064 16 0 "[ . 1 . 2]" 1
12 1 2 ARG QG 1 28 VAL MG2 5.000 . 5.000 2.512 2.037 3.547 . 0 0 "[ . 1 . 2]" 1
13 1 2 ARG QG 1 58 ILE MG 4.000 . 4.000 2.917 2.130 4.043 0.043 12 0 "[ . 1 . 2]" 1
14 1 2 ARG HA 1 3 ARG H 3.000 . 3.000 2.193 2.116 2.443 . 0 0 "[ . 1 . 2]" 1
15 1 2 ARG QB 1 3 ARG H 5.000 . 5.000 3.665 2.396 4.018 . 0 0 "[ . 1 . 2]" 1
16 1 2 ARG QD 1 3 ARG H 5.000 . 5.000 4.446 3.220 5.073 0.073 2 0 "[ . 1 . 2]" 1
17 1 3 ARG H 1 4 VAL H 5.000 . 5.000 4.416 4.383 4.474 . 0 0 "[ . 1 . 2]" 1
18 1 3 ARG H 1 27 ILE HA 5.000 . 5.000 4.968 4.793 5.067 0.067 3 0 "[ . 1 . 2]" 1
19 1 3 ARG H 1 28 VAL HB 5.000 . 5.000 5.073 4.879 5.148 0.148 9 0 "[ . 1 . 2]" 1
20 1 3 ARG H 1 28 VAL MG2 5.000 . 5.000 4.182 3.848 4.452 . 0 0 "[ . 1 . 2]" 1
21 1 3 ARG H 1 58 ILE MG 5.000 . 5.000 3.628 3.394 4.077 . 0 0 "[ . 1 . 2]" 1
22 1 3 ARG H 1 59 LEU H 4.000 . 4.000 3.444 3.156 3.827 . 0 0 "[ . 1 . 2]" 1
23 1 3 ARG H 1 59 LEU MD1 5.000 . 5.000 4.184 3.637 4.490 . 0 0 "[ . 1 . 2]" 1
24 1 3 ARG H 1 59 LEU MD2 6.000 . 6.000 5.333 5.175 5.466 . 0 0 "[ . 1 . 2]" 1
25 1 3 ARG H 1 59 LEU HG 4.000 . 4.000 4.171 4.031 4.261 0.261 13 0 "[ . 1 . 2]" 1
26 1 3 ARG HA 1 4 VAL MG1 5.000 . 5.000 3.530 3.394 3.702 . 0 0 "[ . 1 . 2]" 1
27 1 3 ARG HA 1 4 VAL MG2 5.000 . 5.000 3.693 3.619 3.759 . 0 0 "[ . 1 . 2]" 1
28 1 3 ARG HA 1 25 VAL MG1 5.000 . 5.000 4.269 3.902 4.763 . 0 0 "[ . 1 . 2]" 1
29 1 3 ARG HA 1 27 ILE HA 3.000 . 3.000 2.266 2.193 2.354 . 0 0 "[ . 1 . 2]" 1
30 1 3 ARG HA 1 27 ILE MD 5.000 . 5.000 4.993 4.776 5.086 0.086 15 0 "[ . 1 . 2]" 1
31 1 3 ARG HA 1 27 ILE MG 5.000 . 5.000 3.630 3.393 3.794 . 0 0 "[ . 1 . 2]" 1
32 1 3 ARG HA 1 28 VAL MG2 4.000 . 4.000 2.889 2.565 3.358 . 0 0 "[ . 1 . 2]" 1
33 1 3 ARG QB 1 59 LEU MD1 4.000 . 4.000 1.903 1.749 2.114 0.051 9 0 "[ . 1 . 2]" 1
34 1 3 ARG QD 1 59 LEU MD1 4.000 . 4.000 3.100 2.157 4.180 0.180 9 0 "[ . 1 . 2]" 1
35 1 3 ARG QG 1 25 VAL MG1 5.000 . 5.000 3.467 2.275 4.102 . 0 0 "[ . 1 . 2]" 1
36 1 3 ARG HA 1 4 VAL H 3.000 . 3.000 2.364 2.228 2.510 . 0 0 "[ . 1 . 2]" 1
37 1 3 ARG QB 1 4 VAL H 4.000 . 4.000 2.501 2.214 2.820 . 0 0 "[ . 1 . 2]" 1
38 1 3 ARG QG 1 4 VAL H 5.000 . 5.000 3.846 3.176 4.163 . 0 0 "[ . 1 . 2]" 1
39 1 4 VAL H 1 25 VAL HA 5.000 . 5.000 4.446 4.187 4.802 . 0 0 "[ . 1 . 2]" 1
40 1 4 VAL H 1 25 VAL MG1 4.000 . 4.000 3.377 3.071 3.665 . 0 0 "[ . 1 . 2]" 1
41 1 4 VAL H 1 26 ILE H 4.000 . 4.000 2.902 2.724 3.085 . 0 0 "[ . 1 . 2]" 1
42 1 4 VAL H 1 26 ILE MG 5.000 . 5.000 4.267 4.129 4.415 . 0 0 "[ . 1 . 2]" 1
43 1 4 VAL H 1 27 ILE HA 4.000 . 4.000 3.516 3.297 3.637 . 0 0 "[ . 1 . 2]" 1
44 1 4 VAL H 1 28 VAL H 5.000 . 5.000 4.105 3.887 4.404 . 0 0 "[ . 1 . 2]" 1
45 1 4 VAL H 1 28 VAL MG2 4.000 . 4.000 3.542 3.283 3.771 . 0 0 "[ . 1 . 2]" 1
46 1 4 VAL H 1 59 LEU MD2 5.000 . 5.000 4.875 4.664 5.045 0.045 11 0 "[ . 1 . 2]" 1
47 1 4 VAL HA 1 58 ILE HA 3.000 . 3.000 2.049 1.939 2.323 . 0 0 "[ . 1 . 2]" 1
48 1 4 VAL HA 1 58 ILE HB 5.000 . 5.000 5.053 4.954 5.270 0.270 3 0 "[ . 1 . 2]" 1
49 1 4 VAL HA 1 59 LEU MD2 4.000 . 4.000 3.335 3.103 3.548 . 0 0 "[ . 1 . 2]" 1
50 1 4 VAL HA 1 59 LEU HG 3.000 . 3.000 2.559 2.207 2.829 . 0 0 "[ . 1 . 2]" 1
51 1 4 VAL HB 1 56 VAL HA 5.000 . 5.000 4.099 3.952 4.451 . 0 0 "[ . 1 . 2]" 1
52 1 4 VAL HB 1 56 VAL HB 3.000 . 3.000 1.768 1.681 2.084 0.119 16 0 "[ . 1 . 2]" 1
53 1 4 VAL HB 1 56 VAL MG2 3.000 . 3.000 2.373 2.206 2.627 . 0 0 "[ . 1 . 2]" 1
54 1 2 ARG QD 1 4 VAL MG1 5.000 . 5.000 3.669 3.124 4.550 . 0 0 "[ . 1 . 2]" 1
55 1 4 VAL MG1 1 28 VAL MG2 4.000 . 4.000 2.081 1.985 2.236 . 0 0 "[ . 1 . 2]" 1
56 1 4 VAL MG1 1 37 TRP HE3 4.000 . 4.000 2.938 2.584 3.236 . 0 0 "[ . 1 . 2]" 1
57 1 4 VAL MG1 1 37 TRP HH2 5.000 . 5.000 4.458 3.962 4.787 . 0 0 "[ . 1 . 2]" 1
58 1 4 VAL MG1 1 51 PHE QE 5.000 . 5.000 2.485 2.213 2.757 . 0 0 "[ . 1 . 2]" 1
59 1 4 VAL MG1 1 51 PHE HZ 5.000 . 5.000 3.636 3.405 3.930 . 0 0 "[ . 1 . 2]" 1
60 1 4 VAL MG1 1 56 VAL MG1 5.000 . 5.000 3.614 3.476 3.767 . 0 0 "[ . 1 . 2]" 1
61 1 4 VAL MG1 1 56 VAL MG2 3.000 . 3.000 2.161 2.021 2.293 . 0 0 "[ . 1 . 2]" 1
62 1 4 VAL MG1 1 58 ILE HA 4.000 . 4.000 2.073 1.831 2.339 . 0 0 "[ . 1 . 2]" 1
63 1 4 VAL MG1 1 58 ILE HG12 5.000 . 5.000 2.111 1.763 3.871 0.037 11 0 "[ . 1 . 2]" 1
64 1 4 VAL MG2 1 6 THR MG 5.000 . 5.000 3.193 2.936 3.535 . 0 0 "[ . 1 . 2]" 1
65 1 4 VAL MG2 1 28 VAL MG2 4.000 . 4.000 2.760 2.493 3.105 . 0 0 "[ . 1 . 2]" 1
66 1 4 VAL MG2 1 51 PHE QE 5.000 . 5.000 1.946 1.770 2.144 0.030 7 0 "[ . 1 . 2]" 1
67 1 4 VAL MG2 1 51 PHE HZ 4.000 . 4.000 3.147 2.952 3.404 . 0 0 "[ . 1 . 2]" 1
68 1 4 VAL MG2 1 56 VAL HB 4.000 . 4.000 2.630 2.466 2.983 . 0 0 "[ . 1 . 2]" 1
69 1 4 VAL MG2 1 56 VAL MG2 4.000 . 4.000 2.435 2.248 2.585 . 0 0 "[ . 1 . 2]" 1
70 1 4 VAL HA 1 5 LYS H 3.000 . 3.000 2.289 2.203 2.437 . 0 0 "[ . 1 . 2]" 1
71 1 4 VAL HB 1 5 LYS H 3.000 . 3.000 2.740 2.435 3.014 0.014 9 0 "[ . 1 . 2]" 1
72 1 4 VAL MG1 1 5 LYS H 5.000 . 5.000 3.804 3.678 3.917 . 0 0 "[ . 1 . 2]" 1
73 1 4 VAL MG2 1 5 LYS H 5.000 . 5.000 3.618 3.395 3.839 . 0 0 "[ . 1 . 2]" 1
74 1 5 LYS H 1 6 THR H 4.000 . 4.000 4.118 4.076 4.194 0.194 19 0 "[ . 1 . 2]" 1
75 1 5 LYS H 1 56 VAL HB 4.000 . 4.000 3.243 2.625 3.643 . 0 0 "[ . 1 . 2]" 1
76 1 5 LYS H 1 56 VAL MG1 5.000 . 5.000 4.523 4.006 4.901 . 0 0 "[ . 1 . 2]" 1
77 1 5 LYS H 1 57 HIS H 4.000 . 4.000 2.543 2.238 3.010 . 0 0 "[ . 1 . 2]" 1
78 1 5 LYS H 1 57 HIS QB 4.000 . 4.000 3.140 2.870 3.422 . 0 0 "[ . 1 . 2]" 1
79 1 5 LYS H 1 58 ILE HA 4.000 . 4.000 3.462 3.165 3.860 . 0 0 "[ . 1 . 2]" 1
80 1 5 LYS H 1 59 LEU H 5.000 . 5.000 4.383 4.097 4.858 . 0 0 "[ . 1 . 2]" 1
81 1 5 LYS H 1 59 LEU MD1 6.000 . 6.000 4.169 3.756 4.601 . 0 0 "[ . 1 . 2]" 1
82 1 5 LYS H 1 59 LEU MD2 5.000 . 5.000 3.028 2.860 3.283 . 0 0 "[ . 1 . 2]" 1
83 1 4 VAL MG2 1 5 LYS HA 6.000 . 6.000 3.814 3.565 4.045 . 0 0 "[ . 1 . 2]" 1
84 1 5 LYS HA 1 6 THR MG 5.000 . 5.000 3.542 3.357 3.706 . 0 0 "[ . 1 . 2]" 1
85 1 5 LYS HA 1 25 VAL HA 3.000 . 3.000 2.471 2.063 2.875 . 0 0 "[ . 1 . 2]" 1
86 1 5 LYS HA 1 25 VAL HB 6.000 . 6.000 5.333 4.923 5.811 . 0 0 "[ . 1 . 2]" 1
87 1 5 LYS HA 1 25 VAL MG1 5.000 . 5.000 3.724 3.450 4.167 . 0 0 "[ . 1 . 2]" 1
88 1 5 LYS QB 1 59 LEU MD2 4.000 . 4.000 1.886 1.690 2.594 0.110 4 0 "[ . 1 . 2]" 1
89 1 5 LYS QD 1 25 VAL MG2 5.000 . 5.000 3.023 1.936 4.124 . 0 0 "[ . 1 . 2]" 1
90 1 5 LYS QE 1 23 GLY QA 5.000 . 5.000 3.033 1.751 4.795 0.049 20 0 "[ . 1 . 2]" 1
91 1 5 LYS QE 1 25 VAL HB 5.000 . 5.000 4.918 4.491 5.216 0.216 8 0 "[ . 1 . 2]" 1
92 1 5 LYS QE 1 25 VAL MG2 5.000 . 5.000 2.316 1.758 2.777 0.042 16 0 "[ . 1 . 2]" 1
93 1 5 LYS QG 1 23 GLY QA 5.000 . 5.000 3.444 2.717 4.173 . 0 0 "[ . 1 . 2]" 1
94 1 5 LYS QG 1 25 VAL HA 5.000 . 5.000 3.782 2.588 5.087 0.087 12 0 "[ . 1 . 2]" 1
95 1 5 LYS QG 1 25 VAL MG2 5.000 . 5.000 2.973 1.741 4.356 0.059 8 0 "[ . 1 . 2]" 1
96 1 5 LYS QG 1 59 LEU MD2 5.000 . 5.000 3.467 3.057 4.466 . 0 0 "[ . 1 . 2]" 1
97 1 5 LYS HA 1 6 THR H 3.000 . 3.000 2.112 2.058 2.179 . 0 0 "[ . 1 . 2]" 1
98 1 5 LYS QB 1 6 THR H 5.000 . 5.000 3.826 3.702 3.924 . 0 0 "[ . 1 . 2]" 1
99 1 5 LYS QG 1 6 THR H 4.000 . 4.000 3.368 2.819 3.698 . 0 0 "[ . 1 . 2]" 1
100 1 6 THR H 1 7 ILE H 5.000 . 5.000 4.522 4.401 4.592 . 0 0 "[ . 1 . 2]" 1
101 1 6 THR H 1 23 GLY H 5.000 . 5.000 3.757 3.514 3.923 . 0 0 "[ . 1 . 2]" 1
102 1 6 THR H 1 23 GLY QA 5.000 . 5.000 4.629 4.504 4.708 . 0 0 "[ . 1 . 2]" 1
103 1 6 THR H 1 24 GLU H 4.000 . 4.000 3.623 3.466 3.715 . 0 0 "[ . 1 . 2]" 1
104 1 6 THR H 1 24 GLU QB 5.000 . 5.000 3.928 3.691 4.227 . 0 0 "[ . 1 . 2]" 1
105 1 6 THR H 1 25 VAL HA 4.000 . 4.000 3.471 3.224 3.694 . 0 0 "[ . 1 . 2]" 1
106 1 6 THR H 1 25 VAL MG2 5.000 . 5.000 4.584 4.067 4.977 . 0 0 "[ . 1 . 2]" 1
107 1 6 THR H 1 26 ILE MD 5.000 . 5.000 4.403 4.183 4.549 . 0 0 "[ . 1 . 2]" 1
108 1 6 THR H 1 56 VAL MG1 5.000 . 5.000 3.678 3.406 3.985 . 0 0 "[ . 1 . 2]" 1
109 1 6 THR HA 1 7 ILE MG 5.000 . 5.000 3.959 3.608 4.180 . 0 0 "[ . 1 . 2]" 1
110 1 6 THR HA 1 20 PHE QD 6.000 . 6.000 4.844 4.438 5.062 . 0 0 "[ . 1 . 2]" 1
111 1 6 THR HA 1 56 VAL HA 3.000 . 3.000 2.006 1.832 2.282 . 0 0 "[ . 1 . 2]" 1
112 1 6 THR HA 1 56 VAL HB 4.000 . 4.000 3.293 3.014 3.569 . 0 0 "[ . 1 . 2]" 1
113 1 6 THR HA 1 56 VAL MG2 6.000 . 6.000 4.399 4.192 4.560 . 0 0 "[ . 1 . 2]" 1
114 1 6 THR HB 1 20 PHE QD 3.000 . 3.000 2.620 2.275 2.892 . 0 0 "[ . 1 . 2]" 1
115 1 6 THR HB 1 20 PHE QE 3.000 . 3.000 2.692 2.540 2.956 . 0 0 "[ . 1 . 2]" 1
116 1 6 THR HB 1 20 PHE HZ 5.000 . 5.000 4.616 4.424 4.822 . 0 0 "[ . 1 . 2]" 1
117 1 6 THR HB 1 22 GLU HA 4.000 . 4.000 3.158 2.441 3.280 . 0 0 "[ . 1 . 2]" 1
118 1 6 THR HB 1 22 GLU QB 5.000 . 5.000 4.950 3.566 5.111 0.111 19 0 "[ . 1 . 2]" 1
119 1 6 THR HB 1 56 VAL HA 5.000 . 5.000 4.235 3.983 4.595 . 0 0 "[ . 1 . 2]" 1
120 1 6 THR HB 1 56 VAL MG1 5.000 . 5.000 3.378 3.134 3.601 . 0 0 "[ . 1 . 2]" 1
121 1 6 THR MG 1 20 PHE QB 4.000 . 4.000 2.541 2.200 2.727 . 0 0 "[ . 1 . 2]" 1
122 1 6 THR MG 1 20 PHE QD 4.000 . 4.000 2.526 2.425 2.634 . 0 0 "[ . 1 . 2]" 1
123 1 6 THR MG 1 20 PHE QE 4.000 . 4.000 2.978 2.840 3.198 . 0 0 "[ . 1 . 2]" 1
124 1 6 THR MG 1 24 GLU QB 5.000 . 5.000 2.564 2.294 2.922 . 0 0 "[ . 1 . 2]" 1
125 1 6 THR MG 1 26 ILE MD 3.000 . 3.000 2.251 2.169 2.401 . 0 0 "[ . 1 . 2]" 1
126 1 6 THR MG 1 26 ILE HG12 4.000 . 4.000 3.643 3.416 3.860 . 0 0 "[ . 1 . 2]" 1
127 1 6 THR MG 1 56 VAL HA 5.000 . 5.000 3.633 3.424 3.973 . 0 0 "[ . 1 . 2]" 1
128 1 6 THR HA 1 7 ILE H 3.000 . 3.000 2.141 2.112 2.180 . 0 0 "[ . 1 . 2]" 1
129 1 6 THR MG 1 7 ILE H 5.000 . 5.000 3.999 3.921 4.117 . 0 0 "[ . 1 . 2]" 1
130 1 7 ILE H 1 8 TYR H 3.000 . 3.000 2.067 1.907 2.244 . 0 0 "[ . 1 . 2]" 1
131 1 7 ILE H 1 55 PHE HA 5.000 . 5.000 4.269 4.090 4.554 . 0 0 "[ . 1 . 2]" 1
132 1 7 ILE H 1 56 VAL HA 3.000 . 3.000 2.325 2.092 2.564 . 0 0 "[ . 1 . 2]" 1
133 1 7 ILE H 1 56 VAL HB 5.000 . 5.000 4.621 4.348 4.914 . 0 0 "[ . 1 . 2]" 1
134 1 7 ILE H 1 57 HIS H 5.000 . 5.000 3.708 3.259 4.205 . 0 0 "[ . 1 . 2]" 1
135 1 7 ILE HA 1 22 GLU HA 4.000 . 4.000 3.535 3.313 3.874 . 0 0 "[ . 1 . 2]" 1
136 1 7 ILE HA 1 22 GLU QB 5.000 . 5.000 3.070 2.262 4.549 . 0 0 "[ . 1 . 2]" 1
137 1 7 ILE HA 1 22 GLU QG 4.000 . 4.000 3.778 2.476 4.077 0.077 9 0 "[ . 1 . 2]" 1
138 1 7 ILE HB 1 8 TYR QE 5.000 . 5.000 4.282 3.994 4.918 . 0 0 "[ . 1 . 2]" 1
139 1 7 ILE MD 1 8 TYR QE 4.000 . 4.000 2.719 2.472 2.984 . 0 0 "[ . 1 . 2]" 1
140 1 7 ILE MD 1 55 PHE HA 4.000 . 4.000 3.916 3.499 4.103 0.103 14 0 "[ . 1 . 2]" 1
141 1 7 ILE MD 1 57 HIS QB 5.000 . 5.000 2.682 2.091 4.308 . 0 0 "[ . 1 . 2]" 1
142 1 7 ILE MD 1 57 HIS HD2 5.000 . 5.000 5.049 4.796 5.113 0.113 8 0 "[ . 1 . 2]" 1
143 1 7 ILE MD 1 57 HIS HE1 5.000 . 5.000 3.816 2.516 4.462 . 0 0 "[ . 1 . 2]" 1
144 1 7 ILE HG13 1 8 TYR QD 4.000 . 4.000 2.138 1.770 2.891 0.030 11 0 "[ . 1 . 2]" 1
145 1 7 ILE HG13 1 8 TYR QE 4.000 . 4.000 2.971 2.503 3.358 . 0 0 "[ . 1 . 2]" 1
146 1 7 ILE HG13 1 55 PHE HA 4.000 . 4.000 3.369 3.170 3.547 . 0 0 "[ . 1 . 2]" 1
147 1 7 ILE HG13 1 56 VAL HA 4.000 . 4.000 4.053 3.673 4.524 0.524 12 1 "[ . 1 + . 2]" 1
148 1 7 ILE MG 1 8 TYR QE 6.000 . 6.000 4.972 4.688 5.358 . 0 0 "[ . 1 . 2]" 1
149 1 7 ILE MG 1 56 VAL HA 4.000 . 4.000 3.664 2.803 4.014 0.014 14 0 "[ . 1 . 2]" 1
150 1 7 ILE MG 1 57 HIS QB 4.000 . 4.000 1.930 1.741 2.892 0.059 14 0 "[ . 1 . 2]" 1
151 1 7 ILE MG 1 57 HIS HD2 5.000 . 5.000 4.603 3.715 4.998 . 0 0 "[ . 1 . 2]" 1
152 1 6 THR HA 1 8 TYR H 4.000 . 4.000 3.411 3.193 3.558 . 0 0 "[ . 1 . 2]" 1
153 1 6 THR HB 1 8 TYR H 4.000 . 4.000 3.001 2.781 3.264 . 0 0 "[ . 1 . 2]" 1
154 1 6 THR HG1 1 8 TYR H 5.000 . 5.000 4.648 4.383 4.923 . 0 0 "[ . 1 . 2]" 1
155 1 6 THR MG 1 8 TYR H 5.000 . 5.000 4.343 4.198 4.528 . 0 0 "[ . 1 . 2]" 1
156 1 7 ILE HA 1 8 TYR H 4.000 . 4.000 3.267 3.179 3.362 . 0 0 "[ . 1 . 2]" 1
157 1 7 ILE HB 1 8 TYR H 5.000 . 5.000 4.170 4.087 4.283 . 0 0 "[ . 1 . 2]" 1
158 1 7 ILE MD 1 8 TYR H 5.000 . 5.000 4.635 4.405 4.814 . 0 0 "[ . 1 . 2]" 1
159 1 7 ILE HG13 1 8 TYR H 4.000 . 4.000 3.244 2.974 3.464 . 0 0 "[ . 1 . 2]" 1
160 1 8 TYR H 1 9 ASP H 5.000 . 5.000 4.351 4.252 4.421 . 0 0 "[ . 1 . 2]" 1
161 1 8 TYR H 1 20 PHE QD 5.000 . 5.000 4.756 4.336 4.975 . 0 0 "[ . 1 . 2]" 1
162 1 8 TYR H 1 20 PHE QE 4.000 . 4.000 3.614 3.393 3.827 . 0 0 "[ . 1 . 2]" 1
163 1 8 TYR H 1 22 GLU HA 4.000 . 4.000 3.530 3.312 3.755 . 0 0 "[ . 1 . 2]" 1
164 1 8 TYR H 1 22 GLU QB 5.000 . 5.000 4.211 2.354 4.766 . 0 0 "[ . 1 . 2]" 1
165 1 8 TYR H 1 22 GLU QG 4.000 . 4.000 3.465 2.911 4.091 0.091 18 0 "[ . 1 . 2]" 1
166 1 8 TYR H 1 55 PHE QB 4.000 . 4.000 3.472 3.247 3.819 . 0 0 "[ . 1 . 2]" 1
167 1 8 TYR H 1 56 VAL HA 5.000 . 5.000 4.068 3.903 4.298 . 0 0 "[ . 1 . 2]" 1
168 1 8 TYR HA 1 22 GLU HA 5.000 . 5.000 4.385 4.105 4.801 . 0 0 "[ . 1 . 2]" 1
169 1 8 TYR HA 1 22 GLU QB 5.000 . 5.000 3.862 2.569 4.497 . 0 0 "[ . 1 . 2]" 1
170 1 8 TYR HA 1 22 GLU QG 5.000 . 5.000 2.296 1.886 2.818 . 0 0 "[ . 1 . 2]" 1
171 1 8 TYR QB 1 55 PHE QD 3.000 . 3.000 2.077 1.896 2.249 . 0 0 "[ . 1 . 2]" 1
172 1 8 TYR QB 1 55 PHE QE 3.000 . 3.000 3.050 3.032 3.088 0.088 11 0 "[ . 1 . 2]" 1
173 1 7 ILE HB 1 8 TYR QD 5.000 . 5.000 4.156 3.711 4.673 . 0 0 "[ . 1 . 2]" 1
174 1 7 ILE MD 1 8 TYR QD 4.000 . 4.000 3.256 3.082 3.537 . 0 0 "[ . 1 . 2]" 1
175 1 8 TYR QD 1 55 PHE QB 5.000 . 5.000 3.548 3.204 3.804 . 0 0 "[ . 1 . 2]" 1
176 1 8 TYR QD 1 55 PHE QD 5.000 . 5.000 3.805 3.446 3.974 . 0 0 "[ . 1 . 2]" 1
177 1 8 TYR QD 1 55 PHE QE 5.000 . 5.000 4.473 3.913 4.659 . 0 0 "[ . 1 . 2]" 1
178 1 8 TYR QE 1 55 PHE QB 6.000 . 6.000 5.465 5.057 5.755 . 0 0 "[ . 1 . 2]" 1
179 1 8 TYR QE 1 55 PHE QD 6.000 . 6.000 5.282 4.736 5.545 . 0 0 "[ . 1 . 2]" 1
180 1 8 TYR QE 1 55 PHE QE 6.000 . 6.000 5.721 4.953 6.001 0.001 10 0 "[ . 1 . 2]" 1
181 1 8 TYR HA 1 9 ASP H 3.000 . 3.000 2.252 2.175 2.385 . 0 0 "[ . 1 . 2]" 1
182 1 8 TYR QB 1 9 ASP H 4.000 . 4.000 2.777 2.523 3.016 . 0 0 "[ . 1 . 2]" 1
183 1 8 TYR QD 1 9 ASP H 4.000 . 4.000 3.647 3.262 3.935 . 0 0 "[ . 1 . 2]" 1
184 1 9 ASP H 1 10 CYS H 5.000 . 5.000 4.542 4.472 4.578 . 0 0 "[ . 1 . 2]" 1
185 1 9 ASP H 1 21 ILE HA 5.000 . 5.000 4.608 4.389 4.878 . 0 0 "[ . 1 . 2]" 1
186 1 9 ASP H 1 21 ILE MG 6.000 . 6.000 5.708 5.351 6.077 0.077 16 0 "[ . 1 . 2]" 1
187 1 9 ASP H 1 22 GLU H 4.000 . 4.000 4.049 3.964 4.116 0.116 11 0 "[ . 1 . 2]" 1
188 1 9 ASP H 1 22 GLU QB 5.000 . 5.000 4.540 3.044 4.921 . 0 0 "[ . 1 . 2]" 1
189 1 9 ASP H 1 22 GLU QG 5.000 . 5.000 2.626 2.295 3.524 . 0 0 "[ . 1 . 2]" 1
190 1 9 ASP HA 1 20 PHE QD 5.000 . 5.000 3.383 2.823 3.767 . 0 0 "[ . 1 . 2]" 1
191 1 9 ASP HA 1 21 ILE HA 3.000 . 3.000 2.068 1.885 2.301 . 0 0 "[ . 1 . 2]" 1
192 1 9 ASP HA 1 21 ILE HB 5.000 . 5.000 3.933 3.593 4.413 . 0 0 "[ . 1 . 2]" 1
193 1 9 ASP HA 1 21 ILE MG 4.000 . 4.000 3.765 3.488 3.993 . 0 0 "[ . 1 . 2]" 1
194 1 9 ASP HA 1 22 GLU HA 5.000 . 5.000 4.380 4.046 4.750 . 0 0 "[ . 1 . 2]" 1
195 1 9 ASP QB 1 21 ILE HA 4.000 . 4.000 3.016 2.132 3.575 . 0 0 "[ . 1 . 2]" 1
196 1 8 TYR H 1 10 CYS H 6.000 . 6.000 5.990 5.626 6.104 0.104 15 0 "[ . 1 . 2]" 1
197 1 9 ASP HA 1 10 CYS H 3.000 . 3.000 2.167 2.148 2.207 . 0 0 "[ . 1 . 2]" 1
198 1 9 ASP QB 1 10 CYS H 5.000 . 5.000 3.541 2.878 3.837 . 0 0 "[ . 1 . 2]" 1
199 1 10 CYS H 1 11 GLN HA 5.000 . 5.000 4.683 4.435 4.884 . 0 0 "[ . 1 . 2]" 1
200 1 10 CYS H 1 19 THR MG 5.000 . 5.000 4.704 4.204 5.040 0.040 8 0 "[ . 1 . 2]" 1
201 1 10 CYS H 1 20 PHE H 4.000 . 4.000 3.245 2.946 3.480 . 0 0 "[ . 1 . 2]" 1
202 1 10 CYS H 1 20 PHE QB 5.000 . 5.000 4.608 4.374 4.768 . 0 0 "[ . 1 . 2]" 1
203 1 10 CYS H 1 20 PHE QD 4.000 . 4.000 3.145 2.885 3.410 . 0 0 "[ . 1 . 2]" 1
204 1 10 CYS H 1 20 PHE QE 4.000 . 4.000 3.566 3.303 3.839 . 0 0 "[ . 1 . 2]" 1
205 1 10 CYS H 1 20 PHE HZ 6.000 . 6.000 4.984 4.699 5.226 . 0 0 "[ . 1 . 2]" 1
206 1 10 CYS H 1 21 ILE HA 4.000 . 4.000 3.000 2.797 3.255 . 0 0 "[ . 1 . 2]" 1
207 1 10 CYS H 1 21 ILE MG 4.000 . 4.000 4.015 3.800 4.084 0.084 16 0 "[ . 1 . 2]" 1
208 1 10 CYS H 1 22 GLU H 5.000 . 5.000 4.926 4.542 5.081 0.081 15 0 "[ . 1 . 2]" 1
209 1 10 CYS H 1 22 GLU QG 6.000 . 6.000 5.325 4.867 6.145 0.145 16 0 "[ . 1 . 2]" 1
210 1 10 CYS H 1 55 PHE QD 6.000 . 6.000 4.626 4.280 4.874 . 0 0 "[ . 1 . 2]" 1
211 1 10 CYS HA 1 20 PHE QE 5.000 . 5.000 4.655 4.520 4.815 . 0 0 "[ . 1 . 2]" 1
212 1 10 CYS HA 1 20 PHE HZ 5.000 . 5.000 5.149 5.096 5.194 0.194 17 0 "[ . 1 . 2]" 1
213 1 10 CYS HA 1 55 PHE QD 4.000 . 4.000 3.919 3.518 4.042 0.042 19 0 "[ . 1 . 2]" 1
214 1 10 CYS HA 1 55 PHE QE 4.000 . 4.000 3.736 3.287 3.985 . 0 0 "[ . 1 . 2]" 1
215 1 10 CYS QB 1 20 PHE QE 4.000 . 4.000 2.566 2.439 2.669 . 0 0 "[ . 1 . 2]" 1
216 1 10 CYS QB 1 20 PHE HZ 4.000 . 4.000 2.541 2.356 2.628 . 0 0 "[ . 1 . 2]" 1
217 1 10 CYS QB 1 55 PHE QD 4.000 . 4.000 2.857 2.318 3.093 . 0 0 "[ . 1 . 2]" 1
218 1 10 CYS H 1 11 GLN H 5.000 . 5.000 3.990 3.674 4.248 . 0 0 "[ . 1 . 2]" 1
219 1 10 CYS HA 1 11 GLN H 3.000 . 3.000 2.163 2.120 2.250 . 0 0 "[ . 1 . 2]" 1
220 1 10 CYS QB 1 11 GLN H 5.000 . 5.000 3.912 3.745 4.008 . 0 0 "[ . 1 . 2]" 1
221 1 11 GLN H 1 12 ALA H 4.000 . 4.000 4.064 4.006 4.184 0.184 4 0 "[ . 1 . 2]" 1
222 1 11 GLN H 1 19 THR MG 5.000 . 5.000 4.468 4.310 4.777 . 0 0 "[ . 1 . 2]" 1
223 1 11 GLN H 1 55 PHE QE 6.000 . 6.000 5.324 4.594 5.707 . 0 0 "[ . 1 . 2]" 1
224 1 10 CYS HA 1 11 GLN HA 5.000 . 5.000 4.406 4.366 4.438 . 0 0 "[ . 1 . 2]" 1
225 1 11 GLN HA 1 19 THR HA 4.000 . 4.000 3.400 2.414 4.092 0.092 7 0 "[ . 1 . 2]" 1
226 1 11 GLN HA 1 19 THR HB 5.000 . 5.000 4.899 4.424 5.083 0.083 2 0 "[ . 1 . 2]" 1
227 1 11 GLN HA 1 19 THR MG 4.000 . 4.000 2.008 1.768 2.570 0.032 17 0 "[ . 1 . 2]" 1
228 1 11 GLN QB 1 19 THR MG 5.000 . 5.000 3.520 2.751 4.064 . 0 0 "[ . 1 . 2]" 1
229 1 11 GLN QG 1 19 THR MG 5.000 . 5.000 3.309 2.072 4.698 . 0 0 "[ . 1 . 2]" 1
230 1 11 GLN HA 1 12 ALA H 3.000 . 3.000 2.149 2.025 2.221 . 0 0 "[ . 1 . 2]" 1
231 1 11 GLN QB 1 12 ALA H 5.000 . 5.000 3.702 3.479 3.986 . 0 0 "[ . 1 . 2]" 1
232 1 11 GLN QG 1 12 ALA H 5.000 . 5.000 4.174 3.513 4.780 . 0 0 "[ . 1 . 2]" 1
233 1 12 ALA H 1 13 ASP H 5.000 . 5.000 4.532 4.325 4.636 . 0 0 "[ . 1 . 2]" 1
234 1 12 ALA H 1 19 THR HA 3.000 . 3.000 2.499 2.004 2.904 . 0 0 "[ . 1 . 2]" 1
235 1 12 ALA H 1 19 THR HB 5.000 . 5.000 4.309 3.958 4.473 . 0 0 "[ . 1 . 2]" 1
236 1 12 ALA H 1 19 THR HG1 5.000 . 5.000 3.215 2.632 4.316 . 0 0 "[ . 1 . 2]" 1
237 1 12 ALA H 1 19 THR MG 3.000 . 3.000 2.205 1.786 2.720 0.014 8 0 "[ . 1 . 2]" 1
238 1 11 GLN HA 1 12 ALA HA 5.000 . 5.000 4.445 4.346 4.500 . 0 0 "[ . 1 . 2]" 1
239 1 12 ALA HA 1 13 ASP HA 5.000 . 5.000 4.390 4.357 4.422 . 0 0 "[ . 1 . 2]" 1
240 1 12 ALA HA 1 17 GLU QB 3.000 . 3.000 2.908 2.387 3.062 0.062 20 0 "[ . 1 . 2]" 1
241 1 12 ALA MB 1 17 GLU QB 4.000 . 4.000 1.764 1.722 1.892 0.078 1 0 "[ . 1 . 2]" 1
242 1 12 ALA MB 1 18 LEU HA 5.000 . 5.000 3.419 3.109 3.768 . 0 0 "[ . 1 . 2]" 1
243 1 12 ALA MB 1 19 THR HA 4.000 . 4.000 2.885 2.585 3.325 . 0 0 "[ . 1 . 2]" 1
244 1 12 ALA MB 1 19 THR HB 5.000 . 5.000 3.943 3.802 4.110 . 0 0 "[ . 1 . 2]" 1
245 1 12 ALA HA 1 13 ASP H 3.000 . 3.000 2.160 2.098 2.287 . 0 0 "[ . 1 . 2]" 1
246 1 12 ALA MB 1 13 ASP H 4.000 . 4.000 2.994 2.659 3.397 . 0 0 "[ . 1 . 2]" 1
247 1 13 ASP H 1 14 ASN H 3.000 . 3.000 2.122 1.868 2.348 . 0 0 "[ . 1 . 2]" 1
248 1 13 ASP H 1 17 GLU QB 4.000 . 4.000 3.328 2.862 4.012 0.012 15 0 "[ . 1 . 2]" 1
249 1 13 ASP H 1 17 GLU QG 5.000 . 5.000 4.270 3.521 5.012 0.012 7 0 "[ . 1 . 2]" 1
250 1 12 ALA HA 1 14 ASN H 4.000 . 4.000 3.682 3.160 4.005 0.005 6 0 "[ . 1 . 2]" 1
251 1 12 ALA MB 1 14 ASN H 4.000 . 4.000 3.153 2.651 3.530 . 0 0 "[ . 1 . 2]" 1
252 1 13 ASP HA 1 14 ASN H 4.000 . 4.000 3.471 3.235 3.550 . 0 0 "[ . 1 . 2]" 1
253 1 13 ASP QB 1 14 ASN H 4.000 . 4.000 2.744 2.511 3.396 . 0 0 "[ . 1 . 2]" 1
254 1 14 ASN H 1 15 ASP H 5.000 . 5.000 4.517 4.344 4.584 . 0 0 "[ . 1 . 2]" 1
255 1 14 ASN H 1 16 ASP H 5.000 . 5.000 4.917 4.680 5.141 0.141 3 0 "[ . 1 . 2]" 1
256 1 14 ASN H 1 17 GLU H 5.000 . 5.000 4.071 3.728 4.285 . 0 0 "[ . 1 . 2]" 1
257 1 14 ASN H 1 17 GLU QB 3.000 . 3.000 2.900 2.437 3.202 0.202 15 0 "[ . 1 . 2]" 1
258 1 14 ASN QD 1 17 GLU QG 5.000 . 5.000 3.404 2.426 5.080 0.080 12 0 "[ . 1 . 2]" 1
259 1 14 ASN QB 1 17 GLU QB 4.000 . 4.000 3.084 1.670 3.599 0.130 12 0 "[ . 1 . 2]" 1
260 1 14 ASN QB 1 17 GLU QG 5.000 . 5.000 2.200 1.676 3.619 0.124 15 0 "[ . 1 . 2]" 1
261 1 14 ASN HA 1 15 ASP H 3.000 . 3.000 2.291 2.172 2.624 . 0 0 "[ . 1 . 2]" 1
262 1 14 ASN QB 1 15 ASP H 4.000 . 4.000 3.048 2.055 3.680 . 0 0 "[ . 1 . 2]" 1
263 1 15 ASP H 1 16 ASP H 3.000 . 3.000 2.538 2.421 2.711 . 0 0 "[ . 1 . 2]" 1
264 1 12 ALA MB 1 15 ASP HA 6.000 . 6.000 4.165 3.725 4.638 . 0 0 "[ . 1 . 2]" 1
265 1 14 ASN HA 1 15 ASP HA 5.000 . 5.000 4.307 4.245 4.387 . 0 0 "[ . 1 . 2]" 1
266 1 15 ASP HA 1 16 ASP H 4.000 . 4.000 3.395 3.247 3.541 . 0 0 "[ . 1 . 2]" 1
267 1 15 ASP QB 1 16 ASP H 4.000 . 4.000 3.092 2.707 3.358 . 0 0 "[ . 1 . 2]" 1
268 1 16 ASP H 1 17 GLU H 3.000 . 3.000 2.339 2.096 2.489 . 0 0 "[ . 1 . 2]" 1
269 1 16 ASP H 1 17 GLU QB 5.000 . 5.000 4.365 3.652 4.634 . 0 0 "[ . 1 . 2]" 1
270 1 12 ALA MB 1 17 GLU H 5.000 . 5.000 3.510 3.328 3.710 . 0 0 "[ . 1 . 2]" 1
271 1 15 ASP HA 1 17 GLU H 5.000 . 5.000 3.709 3.314 4.104 . 0 0 "[ . 1 . 2]" 1
272 1 16 ASP HA 1 17 GLU H 4.000 . 4.000 3.369 3.158 3.472 . 0 0 "[ . 1 . 2]" 1
273 1 16 ASP QB 1 17 GLU H 4.000 . 4.000 3.095 2.730 3.733 . 0 0 "[ . 1 . 2]" 1
274 1 17 GLU H 1 50 VAL MG2 5.000 . 5.000 3.811 3.594 4.179 . 0 0 "[ . 1 . 2]" 1
275 1 17 GLU HA 1 50 VAL MG2 4.000 . 4.000 2.022 1.786 2.303 0.014 6 0 "[ . 1 . 2]" 1
276 1 12 ALA MB 1 17 GLU QG 5.000 . 5.000 3.569 2.859 3.751 . 0 0 "[ . 1 . 2]" 1
277 1 17 GLU QG 1 36 TRP HZ3 4.000 . 4.000 3.114 2.265 4.116 0.116 15 0 "[ . 1 . 2]" 1
278 1 17 GLU QB 1 50 VAL MG2 5.000 . 5.000 3.217 2.868 3.678 . 0 0 "[ . 1 . 2]" 1
279 1 17 GLU QG 1 50 VAL MG2 5.000 . 5.000 2.396 2.008 3.548 . 0 0 "[ . 1 . 2]" 1
280 1 12 ALA MB 1 18 LEU H 5.000 . 5.000 3.415 2.822 3.909 . 0 0 "[ . 1 . 2]" 1
281 1 17 GLU H 1 18 LEU H 5.000 . 5.000 4.560 4.465 4.603 . 0 0 "[ . 1 . 2]" 1
282 1 17 GLU HA 1 18 LEU H 3.000 . 3.000 2.356 2.216 2.723 . 0 0 "[ . 1 . 2]" 1
283 1 17 GLU QB 1 18 LEU H 3.000 . 3.000 2.711 2.079 3.081 0.081 12 0 "[ . 1 . 2]" 1
284 1 17 GLU QG 1 18 LEU H 4.000 . 4.000 3.827 1.758 4.101 0.101 20 0 "[ . 1 . 2]" 1
285 1 18 LEU H 1 19 THR H 5.000 . 5.000 4.515 4.372 4.580 . 0 0 "[ . 1 . 2]" 1
286 1 18 LEU H 1 49 GLY QA 5.000 . 5.000 3.921 3.405 4.685 . 0 0 "[ . 1 . 2]" 1
287 1 18 LEU H 1 50 VAL H 5.000 . 5.000 3.657 3.319 4.413 . 0 0 "[ . 1 . 2]" 1
288 1 18 LEU H 1 50 VAL MG2 4.000 . 4.000 3.402 3.145 3.849 . 0 0 "[ . 1 . 2]" 1
289 1 18 LEU H 1 51 PHE QB 5.000 . 5.000 3.799 3.297 4.093 . 0 0 "[ . 1 . 2]" 1
290 1 17 GLU HA 1 18 LEU HA 5.000 . 5.000 4.359 4.312 4.522 . 0 0 "[ . 1 . 2]" 1
291 1 18 LEU HA 1 20 PHE QD 5.000 . 5.000 4.795 4.670 4.933 . 0 0 "[ . 1 . 2]" 1
292 1 18 LEU QB 1 20 PHE QD 5.000 . 5.000 2.884 2.768 2.979 . 0 0 "[ . 1 . 2]" 1
293 1 18 LEU QB 1 49 GLY QA 5.000 . 5.000 2.988 2.596 3.447 . 0 0 "[ . 1 . 2]" 1
294 1 18 LEU QB 1 51 PHE QB 5.000 . 5.000 2.432 1.907 2.664 . 0 0 "[ . 1 . 2]" 1
295 1 18 LEU MD1 1 41 ILE HB 5.000 . 5.000 4.075 3.698 4.458 . 0 0 "[ . 1 . 2]" 1
296 1 18 LEU MD1 1 47 ARG QB 3.000 . 3.000 2.049 1.705 2.795 0.095 9 0 "[ . 1 . 2]" 1
297 1 18 LEU MD1 1 47 ARG QD 4.000 . 4.000 2.438 2.014 2.960 . 0 0 "[ . 1 . 2]" 1
298 1 18 LEU MD1 1 48 LYS HA 4.000 . 4.000 2.807 2.347 3.104 . 0 0 "[ . 1 . 2]" 1
299 1 6 THR MG 1 18 LEU MD2 5.000 . 5.000 4.149 3.934 4.459 . 0 0 "[ . 1 . 2]" 1
300 1 18 LEU MD2 1 20 PHE HA 5.000 . 5.000 5.053 5.023 5.097 0.097 14 0 "[ . 1 . 2]" 1
301 1 18 LEU MD2 1 20 PHE QB 5.000 . 5.000 3.142 3.094 3.234 . 0 0 "[ . 1 . 2]" 1
302 1 18 LEU MD2 1 20 PHE QD 4.000 . 4.000 2.413 2.222 2.671 . 0 0 "[ . 1 . 2]" 1
303 1 18 LEU MD2 1 20 PHE QE 5.000 . 5.000 3.415 3.039 3.860 . 0 0 "[ . 1 . 2]" 1
304 1 18 LEU MD2 1 26 ILE MD 3.000 . 3.000 1.907 1.774 2.082 0.026 16 0 "[ . 1 . 2]" 1
305 1 18 LEU MD2 1 26 ILE HG12 4.000 . 4.000 2.744 2.538 2.905 . 0 0 "[ . 1 . 2]" 1
306 1 18 LEU MD2 1 26 ILE MG 4.000 . 4.000 2.710 2.388 2.985 . 0 0 "[ . 1 . 2]" 1
307 1 18 LEU MD2 1 40 HIS HA 4.000 . 4.000 3.183 2.858 3.431 . 0 0 "[ . 1 . 2]" 1
308 1 18 LEU MD2 1 41 ILE HA 5.000 . 5.000 3.650 3.465 3.916 . 0 0 "[ . 1 . 2]" 1
309 1 18 LEU MD2 1 47 ARG QB 5.000 . 5.000 3.458 3.119 4.213 . 0 0 "[ . 1 . 2]" 1
310 1 18 LEU MD2 1 47 ARG QD 4.000 . 4.000 4.030 3.756 4.156 0.156 15 0 "[ . 1 . 2]" 1
311 1 18 LEU MD2 1 48 LYS HA 4.000 . 4.000 2.929 2.482 3.207 . 0 0 "[ . 1 . 2]" 1
312 1 18 LEU HG 1 20 PHE QB 4.000 . 4.000 2.979 2.886 3.064 . 0 0 "[ . 1 . 2]" 1
313 1 18 LEU HG 1 20 PHE QD 3.000 . 3.000 2.083 1.897 2.393 . 0 0 "[ . 1 . 2]" 1
314 1 18 LEU HA 1 19 THR H 3.000 . 3.000 2.175 2.123 2.216 . 0 0 "[ . 1 . 2]" 1
315 1 18 LEU QB 1 19 THR H 4.000 . 4.000 3.559 3.535 3.582 . 0 0 "[ . 1 . 2]" 1
316 1 18 LEU MD1 1 19 THR H 3.000 . 3.000 1.798 1.768 1.874 0.032 4 0 "[ . 1 . 2]" 1
317 1 18 LEU MD2 1 19 THR H 4.000 . 4.000 4.106 4.075 4.158 0.158 2 0 "[ . 1 . 2]" 1
318 1 18 LEU HG 1 19 THR H 3.000 . 3.000 2.701 2.650 2.782 . 0 0 "[ . 1 . 2]" 1
319 1 19 THR H 1 20 PHE H 5.000 . 5.000 4.375 4.329 4.433 . 0 0 "[ . 1 . 2]" 1
320 1 19 THR H 1 47 ARG QB 5.000 . 5.000 4.641 4.077 5.135 0.135 6 0 "[ . 1 . 2]" 1
321 1 10 CYS HA 1 20 PHE H 5.000 . 5.000 4.862 4.666 5.033 0.033 13 0 "[ . 1 . 2]" 1
322 1 10 CYS QB 1 20 PHE H 4.000 . 4.000 3.021 2.549 3.726 . 0 0 "[ . 1 . 2]" 1
323 1 11 GLN HA 1 20 PHE H 5.000 . 5.000 3.885 2.972 4.738 . 0 0 "[ . 1 . 2]" 1
324 1 12 ALA H 1 20 PHE H 5.000 . 5.000 4.054 3.719 4.625 . 0 0 "[ . 1 . 2]" 1
325 1 18 LEU MD1 1 20 PHE H 5.000 . 5.000 5.048 5.012 5.104 0.104 6 0 "[ . 1 . 2]" 1
326 1 19 THR HA 1 20 PHE H 3.000 . 3.000 2.142 2.117 2.172 . 0 0 "[ . 1 . 2]" 1
327 1 19 THR HB 1 20 PHE H 4.000 . 4.000 4.035 3.682 4.132 0.132 5 0 "[ . 1 . 2]" 1
328 1 19 THR MG 1 20 PHE H 4.000 . 4.000 2.784 2.555 3.458 . 0 0 "[ . 1 . 2]" 1
329 1 20 PHE H 1 21 ILE H 5.000 . 5.000 4.357 4.322 4.404 . 0 0 "[ . 1 . 2]" 1
330 1 20 PHE QB 1 41 ILE MD 4.000 . 4.000 2.066 1.706 2.326 0.094 16 0 "[ . 1 . 2]" 1
331 1 18 LEU MD1 1 20 PHE QD 5.000 . 5.000 3.762 3.580 4.033 . 0 0 "[ . 1 . 2]" 1
332 1 20 PHE QE 1 51 PHE QB 3.000 . 3.000 1.985 1.822 2.210 . 0 0 "[ . 1 . 2]" 1
333 1 20 PHE QE 1 55 PHE QB 5.000 . 5.000 2.662 2.207 3.142 . 0 0 "[ . 1 . 2]" 1
334 1 6 THR MG 1 20 PHE HZ 4.000 . 4.000 3.642 3.442 3.967 . 0 0 "[ . 1 . 2]" 1
335 1 20 PHE HZ 1 51 PHE QB 4.000 . 4.000 3.099 2.817 3.623 . 0 0 "[ . 1 . 2]" 1
336 1 20 PHE HZ 1 52 PRO QD 4.000 . 4.000 2.747 2.319 3.078 . 0 0 "[ . 1 . 2]" 1
337 1 20 PHE HZ 1 55 PHE QB 4.000 . 4.000 2.595 2.221 2.829 . 0 0 "[ . 1 . 2]" 1
338 1 20 PHE HZ 1 55 PHE QD 4.000 . 4.000 3.920 3.633 4.041 0.041 13 0 "[ . 1 . 2]" 1
339 1 20 PHE HZ 1 55 PHE QE 6.000 . 6.000 5.649 5.259 5.803 . 0 0 "[ . 1 . 2]" 1
340 1 20 PHE HZ 1 56 VAL MG1 5.000 . 5.000 3.213 2.895 3.528 . 0 0 "[ . 1 . 2]" 1
341 1 6 THR HG1 1 21 ILE H 5.000 . 5.000 3.739 3.433 3.910 . 0 0 "[ . 1 . 2]" 1
342 1 6 THR MG 1 21 ILE H 5.000 . 5.000 4.400 4.067 4.604 . 0 0 "[ . 1 . 2]" 1
343 1 20 PHE HA 1 21 ILE H 3.000 . 3.000 2.376 2.309 2.426 . 0 0 "[ . 1 . 2]" 1
344 1 20 PHE QB 1 21 ILE H 3.000 . 3.000 2.469 2.373 2.651 . 0 0 "[ . 1 . 2]" 1
345 1 20 PHE QD 1 21 ILE H 4.000 . 4.000 3.388 3.206 3.574 . 0 0 "[ . 1 . 2]" 1
346 1 21 ILE H 1 22 GLU H 5.000 . 5.000 4.460 4.436 4.492 . 0 0 "[ . 1 . 2]" 1
347 1 21 ILE H 1 24 GLU QG 4.000 . 4.000 2.443 1.993 3.364 . 0 0 "[ . 1 . 2]" 1
348 1 21 ILE H 1 41 ILE MD 5.000 . 5.000 4.446 3.867 4.656 . 0 0 "[ . 1 . 2]" 1
349 1 20 PHE QD 1 21 ILE HA 5.000 . 5.000 3.230 3.079 3.464 . 0 0 "[ . 1 . 2]" 1
350 1 21 ILE MD 1 24 GLU QG 4.000 . 4.000 1.900 1.778 2.566 0.022 11 0 "[ . 1 . 2]" 1
351 1 9 ASP QB 1 21 ILE MG 5.000 . 5.000 3.378 2.407 4.192 . 0 0 "[ . 1 . 2]" 1
352 1 20 PHE HA 1 21 ILE MG 5.000 . 5.000 3.455 3.361 3.730 . 0 0 "[ . 1 . 2]" 1
353 1 6 THR HG1 1 22 GLU H 5.000 . 5.000 4.213 4.061 4.346 . 0 0 "[ . 1 . 2]" 1
354 1 9 ASP HA 1 22 GLU H 4.000 . 4.000 3.025 2.723 3.156 . 0 0 "[ . 1 . 2]" 1
355 1 9 ASP QB 1 22 GLU H 4.000 . 4.000 3.021 2.362 4.014 0.014 18 0 "[ . 1 . 2]" 1
356 1 20 PHE QD 1 22 GLU H 5.000 . 5.000 4.542 4.208 4.681 . 0 0 "[ . 1 . 2]" 1
357 1 21 ILE HA 1 22 GLU H 3.000 . 3.000 2.459 2.323 2.539 . 0 0 "[ . 1 . 2]" 1
358 1 21 ILE MD 1 22 GLU H 4.000 . 4.300 4.195 3.386 4.497 0.197 9 0 "[ . 1 . 2]" 1
359 1 21 ILE QG 1 22 GLU H 5.000 . 5.000 3.212 2.941 4.284 . 0 0 "[ . 1 . 2]" 1
360 1 21 ILE MG 1 22 GLU H 4.000 . 4.000 3.749 3.468 3.837 . 0 0 "[ . 1 . 2]" 1
361 1 22 GLU H 1 23 GLY H 5.000 . 5.000 4.449 4.366 4.502 . 0 0 "[ . 1 . 2]" 1
362 1 6 THR MG 1 22 GLU HA 5.000 . 5.000 4.399 3.760 4.559 . 0 0 "[ . 1 . 2]" 1
363 1 20 PHE QD 1 22 GLU HA 5.000 . 5.000 4.259 3.736 4.405 . 0 0 "[ . 1 . 2]" 1
364 1 21 ILE HA 1 22 GLU HA 5.000 . 5.000 4.271 4.178 4.347 . 0 0 "[ . 1 . 2]" 1
365 1 5 LYS QG 1 23 GLY H 5.000 . 5.000 4.237 3.365 5.031 0.031 7 0 "[ . 1 . 2]" 1
366 1 6 THR HB 1 23 GLY H 4.000 . 4.000 3.620 3.484 3.705 . 0 0 "[ . 1 . 2]" 1
367 1 6 THR HG1 1 23 GLY H 3.000 . 3.000 2.451 2.316 2.610 . 0 0 "[ . 1 . 2]" 1
368 1 6 THR MG 1 23 GLY H 5.000 . 5.000 4.038 3.904 4.159 . 0 0 "[ . 1 . 2]" 1
369 1 7 ILE HA 1 23 GLY H 4.000 . 4.000 3.949 3.725 4.111 0.111 14 0 "[ . 1 . 2]" 1
370 1 8 TYR H 1 23 GLY H 5.000 . 5.000 4.849 4.662 5.017 0.017 2 0 "[ . 1 . 2]" 1
371 1 20 PHE QD 1 23 GLY H 5.000 . 5.000 5.048 4.999 5.090 0.090 18 0 "[ . 1 . 2]" 1
372 1 21 ILE MD 1 23 GLY H 5.000 . 5.000 4.964 4.019 5.121 0.121 19 0 "[ . 1 . 2]" 1
373 1 22 GLU HA 1 23 GLY H 3.000 . 3.000 2.136 2.061 2.175 . 0 0 "[ . 1 . 2]" 1
374 1 22 GLU QB 1 23 GLY H 4.000 . 4.000 3.384 3.083 3.799 . 0 0 "[ . 1 . 2]" 1
375 1 22 GLU QG 1 23 GLY H 5.000 . 5.000 4.423 3.150 4.668 . 0 0 "[ . 1 . 2]" 1
376 1 23 GLY H 1 24 GLU H 3.000 . 3.000 2.084 1.901 2.138 . 0 0 "[ . 1 . 2]" 1
377 1 5 LYS QB 1 23 GLY QA 5.000 . 5.000 4.983 4.683 5.130 0.130 20 0 "[ . 1 . 2]" 1
378 1 5 LYS HA 1 24 GLU H 5.000 . 5.000 5.059 5.007 5.105 0.105 1 0 "[ . 1 . 2]" 1
379 1 5 LYS QE 1 24 GLU H 6.000 . 6.000 4.831 3.926 6.030 0.030 16 0 "[ . 1 . 2]" 1
380 1 5 LYS QG 1 24 GLU H 5.000 . 5.000 4.700 3.978 5.069 0.069 12 0 "[ . 1 . 2]" 1
381 1 6 THR HG1 1 24 GLU H 3.000 . 3.000 1.986 1.887 2.112 . 0 0 "[ . 1 . 2]" 1
382 1 6 THR MG 1 24 GLU H 5.000 . 5.000 3.443 3.319 3.639 . 0 0 "[ . 1 . 2]" 1
383 1 20 PHE QD 1 24 GLU H 5.000 . 5.000 4.600 4.469 4.818 . 0 0 "[ . 1 . 2]" 1
384 1 21 ILE H 1 24 GLU H 5.000 . 5.000 4.305 4.155 4.511 . 0 0 "[ . 1 . 2]" 1
385 1 21 ILE MD 1 24 GLU H 5.000 . 5.000 3.864 3.180 4.066 . 0 0 "[ . 1 . 2]" 1
386 1 21 ILE QG 1 24 GLU H 5.000 . 5.000 4.174 3.588 4.839 . 0 0 "[ . 1 . 2]" 1
387 1 22 GLU QB 1 24 GLU H 5.000 . 5.000 4.888 4.665 5.065 0.065 16 0 "[ . 1 . 2]" 1
388 1 23 GLY QA 1 24 GLU H 4.000 . 4.000 2.927 2.889 2.948 . 0 0 "[ . 1 . 2]" 1
389 1 24 GLU H 1 25 VAL H 5.000 . 5.000 4.528 4.454 4.569 . 0 0 "[ . 1 . 2]" 1
390 1 24 GLU H 1 41 ILE MD 5.000 . 5.000 5.018 4.793 5.163 0.163 9 0 "[ . 1 . 2]" 1
391 1 24 GLU QB 1 41 ILE MG 5.000 . 5.000 3.073 2.400 3.988 . 0 0 "[ . 1 . 2]" 1
392 1 21 ILE MD 1 24 GLU HA 5.000 . 5.000 4.350 3.895 4.658 . 0 0 "[ . 1 . 2]" 1
393 1 24 GLU HA 1 41 ILE MD 5.000 . 5.000 4.218 3.944 4.863 . 0 0 "[ . 1 . 2]" 1
394 1 24 GLU HA 1 41 ILE MG 5.000 . 5.000 4.369 3.833 4.984 . 0 0 "[ . 1 . 2]" 1
395 1 24 GLU QB 1 41 ILE MD 4.000 . 4.000 2.147 1.916 2.968 . 0 0 "[ . 1 . 2]" 1
396 1 21 ILE QG 1 24 GLU QG 4.000 . 4.000 3.130 2.542 4.214 0.214 9 0 "[ . 1 . 2]" 1
397 1 24 GLU QG 1 41 ILE MD 5.000 . 5.000 3.004 1.737 3.856 0.063 9 0 "[ . 1 . 2]" 1
398 1 5 LYS HA 1 25 VAL H 5.000 . 5.000 4.867 4.638 5.141 0.141 16 0 "[ . 1 . 2]" 1
399 1 24 GLU HA 1 25 VAL H 3.000 . 3.000 2.187 2.140 2.297 . 0 0 "[ . 1 . 2]" 1
400 1 24 GLU QB 1 25 VAL H 4.000 . 4.000 3.011 2.526 3.676 . 0 0 "[ . 1 . 2]" 1
401 1 24 GLU QG 1 25 VAL H 5.000 . 5.000 4.233 2.868 4.598 . 0 0 "[ . 1 . 2]" 1
402 1 25 VAL H 1 26 ILE H 5.000 . 5.000 4.429 4.340 4.518 . 0 0 "[ . 1 . 2]" 1
403 1 25 VAL H 1 41 ILE MD 5.000 . 5.000 4.066 3.703 4.336 . 0 0 "[ . 1 . 2]" 1
404 1 25 VAL H 1 41 ILE MG 5.000 . 5.000 3.809 3.418 4.112 . 0 0 "[ . 1 . 2]" 1
405 1 25 VAL H 1 42 GLU H 5.000 . 5.000 4.200 4.015 4.510 . 0 0 "[ . 1 . 2]" 1
406 1 25 VAL H 1 42 GLU QB 5.000 . 5.000 3.740 3.512 4.122 . 0 0 "[ . 1 . 2]" 1
407 1 25 VAL H 1 42 GLU QG 5.000 . 5.000 4.997 4.503 5.154 0.154 15 0 "[ . 1 . 2]" 1
408 1 4 VAL MG2 1 25 VAL HA 5.000 . 5.000 4.125 3.906 4.300 . 0 0 "[ . 1 . 2]" 1
409 1 5 LYS QB 1 25 VAL HA 5.000 . 5.000 4.030 3.338 4.703 . 0 0 "[ . 1 . 2]" 1
410 1 6 THR MG 1 25 VAL HA 5.000 . 5.000 3.953 3.663 4.193 . 0 0 "[ . 1 . 2]" 1
411 1 25 VAL HB 1 42 GLU QB 4.000 . 4.000 2.137 1.788 2.753 0.012 11 0 "[ . 1 . 2]" 1
412 1 3 ARG QB 1 25 VAL MG1 4.000 . 4.000 2.617 2.239 2.911 . 0 0 "[ . 1 . 2]" 1
413 1 3 ARG QD 1 25 VAL MG1 4.000 . 4.000 2.911 2.281 4.177 0.177 14 0 "[ . 1 . 2]" 1
414 1 25 VAL MG1 1 42 GLU HA 5.000 . 5.000 4.774 4.356 5.043 0.043 8 0 "[ . 1 . 2]" 1
415 1 5 LYS HA 1 25 VAL MG2 4.000 . 4.000 3.383 2.716 3.914 . 0 0 "[ . 1 . 2]" 1
416 1 24 GLU HA 1 25 VAL MG2 5.000 . 5.000 3.525 3.304 3.742 . 0 0 "[ . 1 . 2]" 1
417 1 25 VAL MG1 1 26 ILE HA 5.000 . 5.000 3.676 3.468 3.864 . 0 0 "[ . 1 . 2]" 1
418 1 25 VAL MG2 1 42 GLU QB 5.000 . 5.000 3.610 3.311 4.160 . 0 0 "[ . 1 . 2]" 1
419 1 3 ARG QB 1 26 ILE H 5.000 . 5.000 4.108 3.759 4.624 . 0 0 "[ . 1 . 2]" 1
420 1 4 VAL MG1 1 26 ILE H 5.000 . 5.000 4.879 4.666 5.020 0.020 15 0 "[ . 1 . 2]" 1
421 1 4 VAL MG2 1 26 ILE H 4.000 . 4.000 2.696 2.524 2.835 . 0 0 "[ . 1 . 2]" 1
422 1 5 LYS HA 1 26 ILE H 4.000 . 4.000 3.417 2.894 3.757 . 0 0 "[ . 1 . 2]" 1
423 1 6 THR H 1 26 ILE H 5.000 . 5.000 4.160 3.796 4.469 . 0 0 "[ . 1 . 2]" 1
424 1 6 THR MG 1 26 ILE H 5.000 . 5.000 3.894 3.538 4.237 . 0 0 "[ . 1 . 2]" 1
425 1 25 VAL HA 1 26 ILE H 3.000 . 3.000 2.133 2.077 2.182 . 0 0 "[ . 1 . 2]" 1
426 1 25 VAL HB 1 26 ILE H 4.000 . 4.000 4.115 4.052 4.222 0.222 14 0 "[ . 1 . 2]" 1
427 1 25 VAL MG1 1 26 ILE H 3.000 . 3.000 2.656 2.485 2.839 . 0 0 "[ . 1 . 2]" 1
428 1 26 ILE HA 1 41 ILE MD 4.000 . 4.000 3.263 2.956 3.988 . 0 0 "[ . 1 . 2]" 1
429 1 26 ILE HA 1 41 ILE MG 5.000 . 5.000 4.271 3.624 4.566 . 0 0 "[ . 1 . 2]" 1
430 1 4 VAL MG2 1 26 ILE HB 3.000 . 3.000 1.770 1.721 1.839 0.079 16 0 "[ . 1 . 2]" 1
431 1 20 PHE QD 1 26 ILE MD 4.000 . 4.000 2.580 2.412 2.668 . 0 0 "[ . 1 . 2]" 1
432 1 20 PHE QE 1 26 ILE MD 3.000 . 3.000 3.078 3.034 3.122 0.122 13 0 "[ . 1 . 2]" 1
433 1 26 ILE MD 1 41 ILE MD 4.000 . 4.000 2.698 2.611 2.776 . 0 0 "[ . 1 . 2]" 1
434 1 26 ILE MD 1 56 VAL MG1 4.000 . 4.000 2.525 2.279 2.780 . 0 0 "[ . 1 . 2]" 1
435 1 26 ILE HG12 1 41 ILE MD 3.000 . 3.000 1.810 1.727 2.411 0.073 13 0 "[ . 1 . 2]" 1
436 1 26 ILE HG12 1 41 ILE MG 5.000 . 5.000 4.074 3.377 4.239 . 0 0 "[ . 1 . 2]" 1
437 1 4 VAL MG2 1 26 ILE MG 4.000 . 4.000 2.778 2.609 2.909 . 0 0 "[ . 1 . 2]" 1
438 1 6 THR MG 1 26 ILE MG 5.000 . 5.000 4.331 4.219 4.567 . 0 0 "[ . 1 . 2]" 1
439 1 26 ILE MG 1 28 VAL HA 5.000 . 5.000 3.448 3.288 3.614 . 0 0 "[ . 1 . 2]" 1
440 1 26 ILE MG 1 28 VAL MG2 4.000 . 4.000 3.483 3.217 3.749 . 0 0 "[ . 1 . 2]" 1
441 1 26 ILE MG 1 39 GLY QA 4.000 . 4.000 2.499 2.288 2.758 . 0 0 "[ . 1 . 2]" 1
442 1 26 ILE MG 1 51 PHE QE 5.000 . 5.000 2.720 2.630 2.823 . 0 0 "[ . 1 . 2]" 1
443 1 26 ILE MG 1 51 PHE HZ 3.000 . 3.000 2.890 2.761 3.012 0.012 6 0 "[ . 1 . 2]" 1
444 1 26 ILE HA 1 27 ILE H 3.000 . 3.000 2.179 2.145 2.223 . 0 0 "[ . 1 . 2]" 1
445 1 26 ILE HB 1 27 ILE H 5.000 . 5.000 4.083 4.009 4.150 . 0 0 "[ . 1 . 2]" 1
446 1 26 ILE MD 1 27 ILE H 5.000 . 5.000 5.020 4.899 5.072 0.072 13 0 "[ . 1 . 2]" 1
447 1 26 ILE HG12 1 27 ILE H 5.000 . 5.000 4.421 4.267 4.512 . 0 0 "[ . 1 . 2]" 1
448 1 26 ILE MG 1 27 ILE H 3.000 . 3.000 2.554 2.443 2.646 . 0 0 "[ . 1 . 2]" 1
449 1 27 ILE H 1 40 HIS H 4.000 . 4.000 2.894 2.755 3.039 . 0 0 "[ . 1 . 2]" 1
450 1 27 ILE H 1 42 GLU H 4.000 . 4.000 3.731 3.192 4.013 0.013 10 0 "[ . 1 . 2]" 1
451 1 3 ARG QB 1 27 ILE HA 4.000 . 4.000 3.528 3.134 4.026 0.026 1 0 "[ . 1 . 2]" 1
452 1 27 ILE HA 1 28 VAL MG2 4.000 . 4.000 3.546 3.435 3.681 . 0 0 "[ . 1 . 2]" 1
453 1 27 ILE HB 1 40 HIS HE1 5.000 . 5.000 3.760 3.606 4.055 . 0 0 "[ . 1 . 2]" 1
454 1 3 ARG QD 1 27 ILE MD 4.000 . 4.000 3.092 2.371 4.089 0.089 19 0 "[ . 1 . 2]" 1
455 1 3 ARG QG 1 27 ILE MD 4.000 . 4.000 3.173 2.974 3.563 . 0 0 "[ . 1 . 2]" 1
456 1 27 ILE MD 1 40 HIS HE1 5.000 . 5.000 3.563 3.339 3.856 . 0 0 "[ . 1 . 2]" 1
457 1 27 ILE MD 1 42 GLU HA 4.000 . 4.000 3.555 2.125 4.124 0.124 13 0 "[ . 1 . 2]" 1
458 1 27 ILE MD 1 42 GLU QB 5.000 . 5.000 3.463 2.507 4.485 . 0 0 "[ . 1 . 2]" 1
459 1 27 ILE HG13 1 42 GLU HA 4.000 . 4.000 3.567 2.708 4.657 0.657 20 1 "[ . 1 . +]" 1
460 1 27 ILE HG13 1 42 GLU QB 5.000 . 5.000 3.072 1.840 5.210 0.210 20 0 "[ . 1 . 2]" 1
461 1 27 ILE MG 1 28 VAL HB 5.000 . 5.000 4.165 4.019 4.336 . 0 0 "[ . 1 . 2]" 1
462 1 27 ILE MG 1 29 THR HA 5.000 . 5.000 3.737 3.410 4.018 . 0 0 "[ . 1 . 2]" 1
463 1 27 ILE MG 1 29 THR HB 5.000 . 5.000 4.882 4.474 5.060 0.060 16 0 "[ . 1 . 2]" 1
464 1 27 ILE MG 1 29 THR MG 3.000 . 3.000 2.521 2.094 2.748 . 0 0 "[ . 1 . 2]" 1
465 1 27 ILE MG 1 40 HIS HD2 5.000 . 5.000 4.449 4.141 4.935 . 0 0 "[ . 1 . 2]" 1
466 1 27 ILE MG 1 40 HIS HE1 4.000 . 4.000 3.621 3.383 4.011 0.011 17 0 "[ . 1 . 2]" 1
467 1 2 ARG H 1 28 VAL H 5.000 . 5.000 4.717 4.055 5.065 0.065 16 0 "[ . 1 . 2]" 1
468 1 2 ARG QB 1 28 VAL H 5.000 . 5.000 3.876 3.117 4.792 . 0 0 "[ . 1 . 2]" 1
469 1 2 ARG QD 1 28 VAL H 5.000 . 5.000 4.824 4.305 5.121 0.121 17 0 "[ . 1 . 2]" 1
470 1 2 ARG QG 1 28 VAL H 5.000 . 5.000 3.963 3.176 5.086 0.086 19 0 "[ . 1 . 2]" 1
471 1 3 ARG HA 1 28 VAL H 3.000 . 3.000 2.517 2.241 2.877 . 0 0 "[ . 1 . 2]" 1
472 1 26 ILE MG 1 28 VAL H 5.000 . 5.000 3.947 3.779 4.233 . 0 0 "[ . 1 . 2]" 1
473 1 27 ILE H 1 28 VAL H 5.000 . 5.000 4.377 4.327 4.477 . 0 0 "[ . 1 . 2]" 1
474 1 27 ILE HA 1 28 VAL H 3.000 . 3.000 2.109 2.085 2.146 . 0 0 "[ . 1 . 2]" 1
475 1 27 ILE HB 1 28 VAL H 5.000 . 5.000 4.257 4.215 4.334 . 0 0 "[ . 1 . 2]" 1
476 1 27 ILE MD 1 28 VAL H 5.000 . 5.000 5.026 4.870 5.105 0.105 1 0 "[ . 1 . 2]" 1
477 1 27 ILE HG13 1 28 VAL H 5.000 . 5.000 5.104 4.460 5.277 0.277 19 0 "[ . 1 . 2]" 1
478 1 27 ILE MG 1 28 VAL H 5.000 . 5.000 2.812 2.667 2.880 . 0 0 "[ . 1 . 2]" 1
479 1 28 VAL H 1 29 THR H 5.000 . 5.000 4.392 4.338 4.455 . 0 0 "[ . 1 . 2]" 1
480 1 28 VAL H 1 51 PHE QE 5.000 . 5.000 5.103 5.041 5.159 0.159 20 0 "[ . 1 . 2]" 1
481 1 28 VAL H 1 51 PHE HZ 5.000 . 5.000 4.209 4.148 4.293 . 0 0 "[ . 1 . 2]" 1
482 1 28 VAL HA 1 39 GLY QA 3.000 . 3.000 2.538 2.407 2.734 . 0 0 "[ . 1 . 2]" 1
483 1 28 VAL HA 1 51 PHE HZ 4.000 . 4.000 2.529 2.351 2.769 . 0 0 "[ . 1 . 2]" 1
484 1 4 VAL MG1 1 28 VAL HB 5.000 . 5.000 4.258 4.122 4.421 . 0 0 "[ . 1 . 2]" 1
485 1 2 ARG QB 1 28 VAL MG1 5.000 . 5.000 3.417 2.975 4.435 . 0 0 "[ . 1 . 2]" 1
486 1 2 ARG QG 1 28 VAL MG1 5.000 . 5.000 3.460 2.360 4.517 . 0 0 "[ . 1 . 2]" 1
487 1 28 VAL MG1 1 29 THR HA 4.000 . 4.000 3.903 3.812 4.022 0.022 13 0 "[ . 1 . 2]" 1
488 1 28 VAL MG1 1 29 THR MG 5.000 . 5.000 4.562 4.480 4.662 . 0 0 "[ . 1 . 2]" 1
489 1 28 VAL MG1 1 37 TRP HA 5.000 . 5.000 4.332 4.068 4.572 . 0 0 "[ . 1 . 2]" 1
490 1 28 VAL MG1 1 37 TRP QB 4.000 . 4.000 2.309 2.113 2.585 . 0 0 "[ . 1 . 2]" 1
491 1 28 VAL MG1 1 37 TRP HE3 4.000 . 4.000 2.657 2.347 3.051 . 0 0 "[ . 1 . 2]" 1
492 1 28 VAL MG1 1 37 TRP HZ3 5.000 . 5.000 3.659 3.306 4.123 . 0 0 "[ . 1 . 2]" 1
493 1 28 VAL MG1 1 39 GLY QA 5.000 . 5.000 3.913 3.755 4.102 . 0 0 "[ . 1 . 2]" 1
494 1 28 VAL MG1 1 51 PHE QE 5.000 . 5.000 3.773 3.480 3.951 . 0 0 "[ . 1 . 2]" 1
495 1 28 VAL MG1 1 51 PHE HZ 5.000 . 5.000 3.011 2.475 3.256 . 0 0 "[ . 1 . 2]" 1
496 1 2 ARG QB 1 28 VAL MG2 4.000 . 4.000 3.261 2.410 3.838 . 0 0 "[ . 1 . 2]" 1
497 1 28 VAL MG2 1 37 TRP QB 5.000 . 5.000 3.169 2.852 3.407 . 0 0 "[ . 1 . 2]" 1
498 1 28 VAL MG2 1 51 PHE QE 4.000 . 4.000 2.795 2.545 2.940 . 0 0 "[ . 1 . 2]" 1
499 1 26 ILE MG 1 29 THR H 5.000 . 5.000 4.518 4.374 4.625 . 0 0 "[ . 1 . 2]" 1
500 1 28 VAL HA 1 29 THR H 3.000 . 3.000 2.133 2.117 2.152 . 0 0 "[ . 1 . 2]" 1
501 1 28 VAL HB 1 29 THR H 5.000 . 5.000 4.322 4.276 4.366 . 0 0 "[ . 1 . 2]" 1
502 1 28 VAL MG1 1 29 THR H 3.000 . 3.000 3.013 2.901 3.079 0.079 10 0 "[ . 1 . 2]" 1
503 1 28 VAL MG2 1 29 THR H 5.000 . 5.000 4.142 4.089 4.209 . 0 0 "[ . 1 . 2]" 1
504 1 29 THR H 1 30 GLY H 3.000 . 3.000 2.051 1.975 2.170 . 0 0 "[ . 1 . 2]" 1
505 1 29 THR H 1 30 GLY QA 5.000 . 5.000 4.132 4.045 4.223 . 0 0 "[ . 1 . 2]" 1
506 1 29 THR H 1 38 ILE MG 5.000 . 5.000 3.830 3.730 3.996 . 0 0 "[ . 1 . 2]" 1
507 1 29 THR H 1 39 GLY H 5.000 . 5.000 4.235 4.139 4.313 . 0 0 "[ . 1 . 2]" 1
508 1 29 THR H 1 39 GLY QA 3.000 . 3.000 2.039 1.859 2.162 . 0 0 "[ . 1 . 2]" 1
509 1 29 THR H 1 40 HIS H 5.000 . 5.000 4.121 3.940 4.272 . 0 0 "[ . 1 . 2]" 1
510 1 29 THR H 1 51 PHE HZ 5.000 . 5.000 4.256 3.973 4.553 . 0 0 "[ . 1 . 2]" 1
511 1 29 THR HB 1 38 ILE MG 5.000 . 5.000 4.265 3.962 4.506 . 0 0 "[ . 1 . 2]" 1
512 1 28 VAL HA 1 29 THR MG 5.000 . 5.000 3.765 3.652 3.884 . 0 0 "[ . 1 . 2]" 1
513 1 29 THR MG 1 39 GLY QA 4.000 . 4.000 2.501 2.314 2.781 . 0 0 "[ . 1 . 2]" 1
514 1 29 THR MG 1 40 HIS HD2 4.000 . 4.300 4.483 4.398 4.568 0.268 4 0 "[ . 1 . 2]" 1
515 1 28 VAL HA 1 30 GLY H 4.000 . 4.000 3.406 3.273 3.499 . 0 0 "[ . 1 . 2]" 1
516 1 28 VAL HB 1 30 GLY H 5.000 . 5.000 4.778 4.362 5.010 0.010 7 0 "[ . 1 . 2]" 1
517 1 28 VAL MG1 1 30 GLY H 3.000 . 3.000 2.577 2.236 2.777 . 0 0 "[ . 1 . 2]" 1
518 1 29 THR HA 1 30 GLY H 4.000 . 4.000 3.360 3.245 3.446 . 0 0 "[ . 1 . 2]" 1
519 1 29 THR HB 1 30 GLY H 5.000 . 5.000 4.160 3.924 4.296 . 0 0 "[ . 1 . 2]" 1
520 1 29 THR MG 1 30 GLY H 5.000 . 5.000 4.133 4.056 4.195 . 0 0 "[ . 1 . 2]" 1
521 1 30 GLY H 1 31 GLU QG 5.000 . 5.000 4.229 3.806 5.008 0.008 9 0 "[ . 1 . 2]" 1
522 1 30 GLY H 1 37 TRP HA 6.000 . 6.000 5.448 5.320 5.568 . 0 0 "[ . 1 . 2]" 1
523 1 30 GLY H 1 37 TRP QB 5.000 . 5.000 4.126 3.912 4.360 . 0 0 "[ . 1 . 2]" 1
524 1 30 GLY H 1 38 ILE H 4.000 . 4.000 3.237 3.126 3.372 . 0 0 "[ . 1 . 2]" 1
525 1 30 GLY H 1 38 ILE HB 4.000 . 4.000 3.136 2.786 3.302 . 0 0 "[ . 1 . 2]" 1
526 1 30 GLY H 1 38 ILE MD 5.000 . 5.000 4.893 4.565 5.038 0.038 9 0 "[ . 1 . 2]" 1
527 1 30 GLY H 1 38 ILE MG 5.000 . 5.000 3.678 3.401 3.940 . 0 0 "[ . 1 . 2]" 1
528 1 30 GLY H 1 39 GLY QA 5.000 . 5.000 3.499 3.317 3.637 . 0 0 "[ . 1 . 2]" 1
529 1 28 VAL MG1 1 30 GLY QA 5.000 . 5.000 3.660 3.364 3.814 . 0 0 "[ . 1 . 2]" 1
530 1 30 GLY QA 1 38 ILE HB 4.000 . 4.000 2.381 2.016 2.879 . 0 0 "[ . 1 . 2]" 1
531 1 30 GLY QA 1 38 ILE MD 4.000 . 4.000 3.151 2.816 3.653 . 0 0 "[ . 1 . 2]" 1
532 1 30 GLY QA 1 38 ILE MG 5.000 . 5.000 3.377 3.044 3.655 . 0 0 "[ . 1 . 2]" 1
533 1 30 GLY H 1 31 GLU H 5.000 . 5.000 4.378 4.354 4.402 . 0 0 "[ . 1 . 2]" 1
534 1 30 GLY QA 1 31 GLU H 3.000 . 3.000 2.283 2.264 2.296 . 0 0 "[ . 1 . 2]" 1
535 1 31 GLU H 1 32 GLU H 5.000 . 5.000 4.279 4.112 4.467 . 0 0 "[ . 1 . 2]" 1
536 1 31 GLU H 1 37 TRP HA 5.000 . 5.000 4.878 4.757 5.000 0.000 19 0 "[ . 1 . 2]" 1
537 1 31 GLU H 1 38 ILE HB 5.000 . 5.000 3.934 3.627 4.276 . 0 0 "[ . 1 . 2]" 1
538 1 31 GLU H 1 38 ILE MD 4.000 . 4.000 3.707 3.222 4.036 0.036 5 0 "[ . 1 . 2]" 1
539 1 31 GLU HA 1 37 TRP HA 3.000 . 3.000 2.105 1.986 2.176 . 0 0 "[ . 1 . 2]" 1
540 1 31 GLU HA 1 37 TRP QB 5.000 . 5.000 3.203 3.014 3.433 . 0 0 "[ . 1 . 2]" 1
541 1 31 GLU HA 1 38 ILE MD 5.000 . 5.000 4.390 4.087 4.650 . 0 0 "[ . 1 . 2]" 1
542 1 31 GLU HA 1 38 ILE QG 5.000 . 5.000 3.737 3.435 4.010 . 0 0 "[ . 1 . 2]" 1
543 1 31 GLU QB 1 37 TRP HA 5.000 . 5.000 3.841 3.513 4.004 . 0 0 "[ . 1 . 2]" 1
544 1 31 GLU QB 1 37 TRP HD1 4.000 . 4.000 3.261 2.797 3.468 . 0 0 "[ . 1 . 2]" 1
545 1 31 GLU QG 1 37 TRP HD1 4.000 . 4.000 3.164 2.831 3.420 . 0 0 "[ . 1 . 2]" 1
546 1 31 GLU HA 1 32 GLU H 5.000 . 5.000 2.188 2.131 2.300 . 0 0 "[ . 1 . 2]" 1
547 1 31 GLU QB 1 32 GLU H 5.000 . 5.000 3.072 2.548 3.371 . 0 0 "[ . 1 . 2]" 1
548 1 31 GLU QG 1 32 GLU H 5.000 . 5.000 4.003 3.812 4.257 . 0 0 "[ . 1 . 2]" 1
549 1 32 GLU H 1 36 TRP QB 5.000 . 5.000 3.983 3.714 4.157 . 0 0 "[ . 1 . 2]" 1
550 1 32 GLU H 1 37 TRP HA 5.000 . 5.000 2.286 2.094 2.497 . 0 0 "[ . 1 . 2]" 1
551 1 32 GLU H 1 37 TRP QB 5.000 . 5.000 4.345 4.133 4.551 . 0 0 "[ . 1 . 2]" 1
552 1 32 GLU H 1 37 TRP HD1 5.000 . 5.000 2.873 2.691 3.051 . 0 0 "[ . 1 . 2]" 1
553 1 32 GLU H 1 37 TRP HE1 5.000 . 5.000 5.028 4.759 5.136 0.136 19 0 "[ . 1 . 2]" 1
554 1 32 GLU H 1 38 ILE MD 5.000 . 5.000 4.336 3.850 4.721 . 0 0 "[ . 1 . 2]" 1
555 1 32 GLU H 1 38 ILE QG 5.000 . 5.000 3.579 3.314 3.968 . 0 0 "[ . 1 . 2]" 1
556 1 32 GLU HA 1 38 ILE MD 4.000 . 4.000 4.012 3.633 4.085 0.085 1 0 "[ . 1 . 2]" 1
557 1 32 GLU HA 1 38 ILE QG 5.000 . 5.000 4.480 4.139 4.676 . 0 0 "[ . 1 . 2]" 1
558 1 32 GLU QB 1 36 TRP QB 5.000 . 5.000 2.813 2.288 4.369 . 0 0 "[ . 1 . 2]" 1
559 1 32 GLU QB 1 38 ILE MD 4.000 . 4.000 3.614 1.952 4.024 0.024 3 0 "[ . 1 . 2]" 1
560 1 32 GLU QB 1 50 VAL MG1 4.000 . 4.000 3.210 2.924 3.374 . 0 0 "[ . 1 . 2]" 1
561 1 32 GLU QB 1 50 VAL MG2 5.000 . 5.000 4.986 4.678 5.194 0.194 19 0 "[ . 1 . 2]" 1
562 1 32 GLU QG 1 36 TRP QB 4.000 . 4.000 3.513 2.246 4.080 0.080 11 0 "[ . 1 . 2]" 1
563 1 32 GLU QG 1 38 ILE MD 5.000 . 5.000 2.265 1.921 3.417 . 0 0 "[ . 1 . 2]" 1
564 1 32 GLU QG 1 50 VAL MG1 4.000 . 4.000 2.168 1.771 2.534 0.029 9 0 "[ . 1 . 2]" 1
565 1 32 GLU QG 1 50 VAL MG2 5.000 . 5.000 4.280 4.034 4.815 . 0 0 "[ . 1 . 2]" 1
566 1 31 GLU QB 1 33 ASP H 5.000 . 5.000 3.830 3.277 4.181 . 0 0 "[ . 1 . 2]" 1
567 1 31 GLU QG 1 33 ASP H 5.000 . 5.000 5.029 4.686 5.111 0.111 17 0 "[ . 1 . 2]" 1
568 1 32 GLU HA 1 33 ASP H 4.000 . 4.000 3.501 3.340 3.539 . 0 0 "[ . 1 . 2]" 1
569 1 32 GLU QB 1 33 ASP H 4.000 . 4.000 2.611 2.287 3.757 . 0 0 "[ . 1 . 2]" 1
570 1 32 GLU QG 1 33 ASP H 4.000 . 4.000 3.840 2.267 4.119 0.119 1 0 "[ . 1 . 2]" 1
571 1 33 ASP H 1 36 TRP H 4.000 . 4.000 3.231 3.044 3.633 . 0 0 "[ . 1 . 2]" 1
572 1 33 ASP H 1 36 TRP QB 4.000 . 4.000 2.932 2.653 3.608 . 0 0 "[ . 1 . 2]" 1
573 1 33 ASP H 1 37 TRP HA 4.000 . 4.000 3.607 3.464 3.731 . 0 0 "[ . 1 . 2]" 1
574 1 33 ASP H 1 37 TRP HD1 4.000 . 4.000 2.991 2.715 3.185 . 0 0 "[ . 1 . 2]" 1
575 1 33 ASP H 1 37 TRP HE1 5.000 . 5.000 4.659 4.256 4.908 . 0 0 "[ . 1 . 2]" 1
576 1 33 ASP H 1 34 GLN H 5.000 . 5.000 4.309 4.206 4.371 . 0 0 "[ . 1 . 2]" 1
577 1 33 ASP HA 1 34 GLN H 3.000 . 3.000 2.775 2.663 2.911 . 0 0 "[ . 1 . 2]" 1
578 1 33 ASP QB 1 34 GLN H 3.000 . 3.000 2.741 2.427 3.034 0.034 6 0 "[ . 1 . 2]" 1
579 1 34 GLN H 1 35 GLU H 3.000 . 3.000 2.369 2.164 2.481 . 0 0 "[ . 1 . 2]" 1
580 1 34 GLN H 1 35 GLU HA 5.000 . 5.000 5.043 4.882 5.132 0.132 1 0 "[ . 1 . 2]" 1
581 1 34 GLN H 1 35 GLU QG 5.000 . 5.000 3.550 3.227 4.121 . 0 0 "[ . 1 . 2]" 1
582 1 33 ASP HA 1 35 GLU H 5.000 . 5.000 4.476 4.218 4.878 . 0 0 "[ . 1 . 2]" 1
583 1 33 ASP QB 1 35 GLU H 4.000 . 4.000 2.679 2.362 3.025 . 0 0 "[ . 1 . 2]" 1
584 1 34 GLN HA 1 35 GLU H 4.000 . 4.000 3.472 3.402 3.530 . 0 0 "[ . 1 . 2]" 1
585 1 34 GLN QB 1 35 GLU H 4.000 . 4.000 3.100 2.421 3.753 . 0 0 "[ . 1 . 2]" 1
586 1 34 GLN QG 1 35 GLU H 4.000 . 4.000 3.282 2.244 4.014 0.014 19 0 "[ . 1 . 2]" 1
587 1 35 GLU H 1 36 TRP H 3.000 . 3.000 2.211 2.095 2.325 . 0 0 "[ . 1 . 2]" 1
588 1 35 GLU H 1 36 TRP HA 5.000 . 5.000 4.722 4.650 4.801 . 0 0 "[ . 1 . 2]" 1
589 1 35 GLU H 1 36 TRP QB 4.000 . 4.000 3.821 3.727 3.911 . 0 0 "[ . 1 . 2]" 1
590 1 35 GLU H 1 36 TRP HD1 3.000 . 3.000 3.083 2.963 3.184 0.184 14 0 "[ . 1 . 2]" 1
591 1 35 GLU H 1 36 TRP HE1 6.000 . 6.000 5.210 5.049 5.340 . 0 0 "[ . 1 . 2]" 1
592 1 35 GLU H 1 37 TRP HD1 5.000 . 5.000 5.082 5.038 5.166 0.166 3 0 "[ . 1 . 2]" 1
593 1 35 GLU H 1 53 VAL QG 5.000 . 5.000 3.980 3.830 4.063 . 0 0 "[ . 1 . 2]" 1
594 1 35 GLU HA 1 36 TRP HD1 5.000 . 5.000 4.805 4.674 4.947 . 0 0 "[ . 1 . 2]" 1
595 1 35 GLU HA 1 53 VAL HB 3.000 . 3.000 2.332 1.901 2.790 . 0 0 "[ . 1 . 2]" 1
596 1 35 GLU HA 1 53 VAL QG 4.000 . 4.000 2.341 2.115 2.525 . 0 0 "[ . 1 . 2]" 1
597 1 35 GLU QB 1 36 TRP HD1 4.000 . 4.000 3.704 2.419 3.869 . 0 0 "[ . 1 . 2]" 1
598 1 35 GLU QG 1 36 TRP HD1 5.000 . 5.000 1.945 1.744 3.870 0.056 6 0 "[ . 1 . 2]" 1
599 1 33 ASP HA 1 36 TRP H 5.000 . 5.000 4.556 4.434 4.693 . 0 0 "[ . 1 . 2]" 1
600 1 33 ASP QB 1 36 TRP H 5.000 . 5.000 2.595 2.290 2.824 . 0 0 "[ . 1 . 2]" 1
601 1 34 GLN HA 1 36 TRP H 5.000 . 5.000 4.020 3.798 4.204 . 0 0 "[ . 1 . 2]" 1
602 1 34 GLN QB 1 36 TRP H 5.000 . 5.000 4.667 4.333 4.966 . 0 0 "[ . 1 . 2]" 1
603 1 34 GLN QG 1 36 TRP H 5.000 . 5.000 4.763 4.148 5.101 0.101 19 0 "[ . 1 . 2]" 1
604 1 35 GLU HA 1 36 TRP H 3.000 . 3.000 3.071 3.008 3.145 0.145 1 0 "[ . 1 . 2]" 1
605 1 35 GLU QB 1 36 TRP H 5.000 . 5.000 3.910 3.501 3.963 . 0 0 "[ . 1 . 2]" 1
606 1 35 GLU QG 1 36 TRP H 5.000 . 5.000 3.496 3.351 4.404 . 0 0 "[ . 1 . 2]" 1
607 1 36 TRP H 1 37 TRP HA 5.000 . 5.000 4.622 4.572 4.691 . 0 0 "[ . 1 . 2]" 1
608 1 36 TRP H 1 37 TRP HD1 4.000 . 4.000 3.226 3.078 3.367 . 0 0 "[ . 1 . 2]" 1
609 1 36 TRP H 1 37 TRP HE1 5.000 . 5.000 4.143 3.895 4.353 . 0 0 "[ . 1 . 2]" 1
610 1 36 TRP H 1 53 VAL QG 4.000 . 4.000 2.914 2.785 3.029 . 0 0 "[ . 1 . 2]" 1
611 1 35 GLU QB 1 36 TRP HE1 4.000 . 4.000 4.012 2.908 4.137 0.137 18 0 "[ . 1 . 2]" 1
612 1 35 GLU QG 1 36 TRP HE1 4.000 . 4.000 2.734 2.534 4.152 0.152 1 0 "[ . 1 . 2]" 1
613 1 36 TRP HA 1 50 VAL HB 5.000 . 5.000 4.263 4.054 4.457 . 0 0 "[ . 1 . 2]" 1
614 1 36 TRP HA 1 50 VAL MG1 5.000 . 5.000 5.028 4.976 5.059 0.059 14 0 "[ . 1 . 2]" 1
615 1 36 TRP HA 1 52 PRO HA 3.000 . 3.000 2.780 2.696 2.887 . 0 0 "[ . 1 . 2]" 1
616 1 36 TRP HA 1 52 PRO QB 6.000 . 6.000 4.487 4.410 4.587 . 0 0 "[ . 1 . 2]" 1
617 1 36 TRP HA 1 53 VAL QG 4.000 . 4.000 2.924 2.724 3.151 . 0 0 "[ . 1 . 2]" 1
618 1 36 TRP QB 1 50 VAL MG1 4.000 . 4.000 3.490 3.334 3.590 . 0 0 "[ . 1 . 2]" 1
619 1 36 TRP HE3 1 50 VAL HB 3.000 . 3.000 2.244 2.132 2.364 . 0 0 "[ . 1 . 2]" 1
620 1 36 TRP HE3 1 50 VAL MG1 4.000 . 4.000 3.761 3.657 3.819 . 0 0 "[ . 1 . 2]" 1
621 1 36 TRP HE3 1 51 PHE HA 4.000 . 4.000 3.929 3.740 4.031 0.031 20 0 "[ . 1 . 2]" 1
622 1 36 TRP HE3 1 52 PRO HA 4.000 . 4.000 3.996 3.846 4.072 0.072 18 0 "[ . 1 . 2]" 1
623 1 36 TRP HH2 1 52 PRO QD 5.000 . 5.000 3.654 3.420 3.836 . 0 0 "[ . 1 . 2]" 1
624 1 36 TRP HZ2 1 52 PRO QB 5.000 . 5.000 3.842 3.421 4.180 . 0 0 "[ . 1 . 2]" 1
625 1 36 TRP HZ2 1 52 PRO QG 5.000 . 5.000 4.912 4.556 5.055 0.055 14 0 "[ . 1 . 2]" 1
626 1 36 TRP HZ3 1 50 VAL MG1 5.000 . 5.000 5.009 4.892 5.092 0.092 16 0 "[ . 1 . 2]" 1
627 1 36 TRP HZ3 1 50 VAL MG2 5.000 . 5.000 2.786 2.589 3.062 . 0 0 "[ . 1 . 2]" 1
628 1 36 TRP HZ3 1 51 PHE HA 4.000 . 4.000 3.669 3.445 3.847 . 0 0 "[ . 1 . 2]" 1
629 1 36 TRP HZ3 1 52 PRO QD 4.000 . 4.000 2.688 2.474 2.876 . 0 0 "[ . 1 . 2]" 1
630 1 36 TRP HZ3 1 52 PRO QG 5.000 . 5.000 4.214 4.048 4.441 . 0 0 "[ . 1 . 2]" 1
631 1 31 GLU HA 1 37 TRP H 5.000 . 5.000 5.024 4.912 5.088 0.088 10 0 "[ . 1 . 2]" 1
632 1 32 GLU H 1 37 TRP H 5.000 . 5.000 4.639 4.536 4.825 . 0 0 "[ . 1 . 2]" 1
633 1 36 TRP HA 1 37 TRP H 3.000 . 3.000 2.128 2.113 2.153 . 0 0 "[ . 1 . 2]" 1
634 1 36 TRP QB 1 37 TRP H 4.000 . 4.000 3.530 3.421 3.582 . 0 0 "[ . 1 . 2]" 1
635 1 36 TRP HE3 1 37 TRP H 5.000 . 5.000 4.257 4.059 4.369 . 0 0 "[ . 1 . 2]" 1
636 1 37 TRP H 1 50 VAL HA 5.000 . 5.000 4.456 4.361 4.575 . 0 0 "[ . 1 . 2]" 1
637 1 37 TRP H 1 50 VAL HB 5.000 . 5.000 4.386 4.138 4.666 . 0 0 "[ . 1 . 2]" 1
638 1 37 TRP H 1 50 VAL MG1 5.000 . 5.000 4.764 4.640 4.949 . 0 0 "[ . 1 . 2]" 1
639 1 37 TRP H 1 51 PHE H 4.000 . 4.000 2.933 2.831 3.059 . 0 0 "[ . 1 . 2]" 1
640 1 37 TRP H 1 51 PHE QD 5.000 . 5.000 4.261 4.133 4.333 . 0 0 "[ . 1 . 2]" 1
641 1 37 TRP H 1 52 PRO HA 4.000 . 4.000 3.980 3.882 4.037 0.037 4 0 "[ . 1 . 2]" 1
642 1 37 TRP H 1 53 VAL H 4.000 . 4.000 3.926 3.723 4.049 0.049 8 0 "[ . 1 . 2]" 1
643 1 37 TRP H 1 53 VAL HA 5.000 . 5.000 4.872 4.744 5.004 0.004 4 0 "[ . 1 . 2]" 1
644 1 37 TRP H 1 53 VAL QG 3.000 . 3.000 2.808 2.577 2.990 . 0 0 "[ . 1 . 2]" 1
645 1 31 GLU HA 1 37 TRP HE1 5.000 . 5.000 4.825 4.624 5.042 0.042 8 0 "[ . 1 . 2]" 1
646 1 31 GLU QB 1 37 TRP HE1 5.000 . 5.000 3.715 3.201 4.103 . 0 0 "[ . 1 . 2]" 1
647 1 31 GLU QG 1 37 TRP HE1 4.000 . 4.000 3.375 3.024 3.785 . 0 0 "[ . 1 . 2]" 1
648 1 34 GLN HA 1 37 TRP HE1 4.000 . 4.000 3.139 2.509 3.827 . 0 0 "[ . 1 . 2]" 1
649 1 34 GLN QB 1 37 TRP HE1 6.000 . 6.000 4.938 4.202 5.671 . 0 0 "[ . 1 . 2]" 1
650 1 34 GLN QG 1 37 TRP HE1 6.000 . 6.000 5.113 4.118 6.053 0.053 9 0 "[ . 1 . 2]" 1
651 1 37 TRP HE1 1 53 VAL QG . . 4.000 2.963 2.748 3.163 . 0 0 "[ . 1 . 2]" 1
652 1 31 GLU QG 1 37 TRP HA 4.000 . 4.000 3.512 3.193 3.745 . 0 0 "[ . 1 . 2]" 1
653 1 37 TRP HA 1 38 ILE QG 5.000 . 5.000 3.470 3.369 3.586 . 0 0 "[ . 1 . 2]" 1
654 1 37 TRP QB 1 51 PHE HZ 5.000 . 5.000 3.017 2.858 3.182 . 0 0 "[ . 1 . 2]" 1
655 1 31 GLU HA 1 37 TRP HD1 3.000 . 3.000 3.038 2.850 3.096 0.096 2 0 "[ . 1 . 2]" 1
656 1 37 TRP HD1 1 53 VAL QG . . 4.000 3.139 3.043 3.217 . 0 0 "[ . 1 . 2]" 1
657 1 28 VAL MG2 1 37 TRP HE3 3.000 . 3.000 2.017 1.891 2.161 . 0 0 "[ . 1 . 2]" 1
658 1 2 ARG QD 1 37 TRP HH2 4.000 . 4.000 3.212 2.717 4.099 0.099 17 0 "[ . 1 . 2]" 1
659 1 37 TRP HH2 1 53 VAL QG 4.000 . 4.000 3.446 3.136 3.820 . 0 0 "[ . 1 . 2]" 1
660 1 37 TRP HH2 1 58 ILE MD 3.000 . 3.000 2.279 1.931 2.922 . 0 0 "[ . 1 . 2]" 1
661 1 37 TRP HH2 1 58 ILE HG12 5.000 . 5.000 3.937 1.887 4.795 . 0 0 "[ . 1 . 2]" 1
662 1 37 TRP HZ2 1 53 VAL QG 4.000 . 4.000 3.193 2.842 3.518 . 0 0 "[ . 1 . 2]" 1
663 1 37 TRP HZ2 1 58 ILE MD 4.000 . 4.000 3.917 3.589 4.105 0.105 8 0 "[ . 1 . 2]" 1
664 1 4 VAL MG1 1 37 TRP HZ3 3.000 . 3.000 2.713 2.212 3.034 0.034 20 0 "[ . 1 . 2]" 1
665 1 28 VAL MG2 1 37 TRP HZ3 4.000 . 4.000 2.493 2.168 2.779 . 0 0 "[ . 1 . 2]" 1
666 1 28 VAL HA 1 38 ILE H 5.000 . 5.000 4.716 4.507 4.912 . 0 0 "[ . 1 . 2]" 1
667 1 29 THR H 1 38 ILE H 5.000 . 5.000 4.392 4.281 4.524 . 0 0 "[ . 1 . 2]" 1
668 1 30 GLY QA 1 38 ILE H 5.000 . 5.000 3.676 3.494 3.949 . 0 0 "[ . 1 . 2]" 1
669 1 31 GLU HA 1 38 ILE H 3.000 . 3.000 2.655 2.501 2.743 . 0 0 "[ . 1 . 2]" 1
670 1 31 GLU QB 1 38 ILE H 5.000 . 5.000 4.660 4.470 4.745 . 0 0 "[ . 1 . 2]" 1
671 1 32 GLU H 1 38 ILE H 5.000 . 5.000 3.920 3.732 4.094 . 0 0 "[ . 1 . 2]" 1
672 1 32 GLU QG 1 38 ILE H 5.000 . 5.000 4.316 4.019 4.744 . 0 0 "[ . 1 . 2]" 1
673 1 37 TRP HA 1 38 ILE H 3.000 . 3.000 2.430 2.386 2.512 . 0 0 "[ . 1 . 2]" 1
674 1 37 TRP QB 1 38 ILE H 3.000 . 3.000 2.275 2.103 2.376 . 0 0 "[ . 1 . 2]" 1
675 1 37 TRP HD1 1 38 ILE H 5.000 . 5.000 4.450 4.316 4.549 . 0 0 "[ . 1 . 2]" 1
676 1 38 ILE H 1 39 GLY H 5.000 . 5.000 4.392 4.364 4.426 . 0 0 "[ . 1 . 2]" 1
677 1 38 ILE H 1 50 VAL HA 5.000 . 5.000 4.604 4.504 4.706 . 0 0 "[ . 1 . 2]" 1
678 1 38 ILE H 1 51 PHE H 5.000 . 5.000 4.905 4.867 4.967 . 0 0 "[ . 1 . 2]" 1
679 1 38 ILE H 1 51 PHE QD 5.000 . 5.000 5.083 5.057 5.109 0.109 19 0 "[ . 1 . 2]" 1
680 1 37 TRP HA 1 38 ILE HA 5.000 . 5.000 4.417 4.378 4.456 . 0 0 "[ . 1 . 2]" 1
681 1 38 ILE HA 1 50 VAL HA 3.000 . 3.000 2.344 2.235 2.427 . 0 0 "[ . 1 . 2]" 1
682 1 38 ILE HA 1 50 VAL HB 5.000 . 5.000 4.608 4.458 4.780 . 0 0 "[ . 1 . 2]" 1
683 1 38 ILE HA 1 51 PHE QD 5.000 . 5.000 3.264 3.198 3.362 . 0 0 "[ . 1 . 2]" 1
684 1 37 TRP HA 1 38 ILE MD 5.000 . 5.000 4.809 4.639 4.931 . 0 0 "[ . 1 . 2]" 1
685 1 38 ILE MD 1 50 VAL HA 5.000 . 5.000 4.557 4.414 4.683 . 0 0 "[ . 1 . 2]" 1
686 1 38 ILE QG 1 50 VAL HB 5.000 . 5.000 3.983 3.801 4.104 . 0 0 "[ . 1 . 2]" 1
687 1 38 ILE MG 1 39 GLY QA 5.000 . 5.000 3.037 2.897 3.120 . 0 0 "[ . 1 . 2]" 1
688 1 18 LEU MD2 1 39 GLY H 5.000 . 5.000 4.364 3.977 4.793 . 0 0 "[ . 1 . 2]" 1
689 1 26 ILE MG 1 39 GLY H 5.000 . 5.000 4.051 3.855 4.279 . 0 0 "[ . 1 . 2]" 1
690 1 28 VAL HA 1 39 GLY H 5.000 . 5.000 4.845 4.709 4.975 . 0 0 "[ . 1 . 2]" 1
691 1 30 GLY H 1 39 GLY H 5.000 . 5.000 4.900 4.693 5.058 0.058 6 0 "[ . 1 . 2]" 1
692 1 38 ILE HA 1 39 GLY H 3.000 . 3.000 2.197 2.159 2.243 . 0 0 "[ . 1 . 2]" 1
693 1 38 ILE HB 1 39 GLY H 5.000 . 5.000 4.090 3.995 4.163 . 0 0 "[ . 1 . 2]" 1
694 1 38 ILE MD 1 39 GLY H 5.000 . 5.000 4.976 4.878 5.040 0.040 16 0 "[ . 1 . 2]" 1
695 1 38 ILE QG 1 39 GLY H 5.000 . 5.000 4.026 3.950 4.092 . 0 0 "[ . 1 . 2]" 1
696 1 38 ILE MG 1 39 GLY H 3.000 . 3.000 2.474 2.364 2.573 . 0 0 "[ . 1 . 2]" 1
697 1 39 GLY H 1 40 HIS H 5.000 . 5.000 4.295 4.211 4.346 . 0 0 "[ . 1 . 2]" 1
698 1 39 GLY H 1 40 HIS QB 6.000 . 6.000 5.135 5.046 5.205 . 0 0 "[ . 1 . 2]" 1
699 1 39 GLY H 1 48 LYS QB 5.000 . 5.000 3.905 3.664 4.114 . 0 0 "[ . 1 . 2]" 1
700 1 39 GLY H 1 49 GLY H 4.000 . 4.000 2.646 2.541 2.756 . 0 0 "[ . 1 . 2]" 1
701 1 39 GLY H 1 49 GLY QA 5.000 . 5.000 3.994 3.913 4.129 . 0 0 "[ . 1 . 2]" 1
702 1 39 GLY H 1 50 VAL HA 4.000 . 4.000 3.825 3.649 3.973 . 0 0 "[ . 1 . 2]" 1
703 1 39 GLY H 1 51 PHE H 5.000 . 5.000 4.775 4.500 4.976 . 0 0 "[ . 1 . 2]" 1
704 1 39 GLY H 1 51 PHE QB 6.000 . 6.000 5.181 5.050 5.480 . 0 0 "[ . 1 . 2]" 1
705 1 39 GLY H 1 51 PHE QD 4.000 . 4.000 2.981 2.841 3.260 . 0 0 "[ . 1 . 2]" 1
706 1 26 ILE HA 1 40 HIS H 5.000 . 5.000 4.210 4.021 4.403 . 0 0 "[ . 1 . 2]" 1
707 1 26 ILE MD 1 40 HIS H 5.000 . 5.000 5.057 5.022 5.088 0.088 16 0 "[ . 1 . 2]" 1
708 1 26 ILE HG12 1 40 HIS H 5.000 . 5.000 5.221 5.157 5.249 0.249 3 0 "[ . 1 . 2]" 1
709 1 26 ILE MG 1 40 HIS H 3.000 . 3.000 2.515 2.408 2.614 . 0 0 "[ . 1 . 2]" 1
710 1 27 ILE HA 1 40 HIS H 5.000 . 5.000 4.736 4.657 4.820 . 0 0 "[ . 1 . 2]" 1
711 1 27 ILE HB 1 40 HIS H 4.000 . 4.000 3.443 3.235 3.549 . 0 0 "[ . 1 . 2]" 1
712 1 27 ILE MG 1 40 HIS H 5.000 . 5.000 4.286 4.069 4.447 . 0 0 "[ . 1 . 2]" 1
713 1 29 THR MG 1 40 HIS H 4.000 . 4.000 3.038 2.837 3.193 . 0 0 "[ . 1 . 2]" 1
714 1 39 GLY QA 1 40 HIS H 3.000 . 3.000 2.213 2.160 2.245 . 0 0 "[ . 1 . 2]" 1
715 1 40 HIS H 1 48 LYS HA 5.000 . 5.000 4.601 4.464 4.777 . 0 0 "[ . 1 . 2]" 1
716 1 40 HIS H 1 48 LYS QB 5.000 . 5.000 4.446 3.873 4.776 . 0 0 "[ . 1 . 2]" 1
717 1 40 HIS H 1 48 LYS QD 5.000 . 5.000 5.064 4.802 5.195 0.195 15 0 "[ . 1 . 2]" 1
718 1 40 HIS H 1 51 PHE HZ 5.000 . 5.000 5.105 5.058 5.150 0.150 3 0 "[ . 1 . 2]" 1
719 1 18 LEU MD1 1 40 HIS HA 4.000 . 4.000 3.910 3.505 4.100 0.100 15 0 "[ . 1 . 2]" 1
720 1 26 ILE MG 1 40 HIS HA 5.000 . 5.000 3.407 3.207 3.620 . 0 0 "[ . 1 . 2]" 1
721 1 40 HIS HA 1 45 PRO HA 5.000 . 5.000 4.610 4.295 4.954 . 0 0 "[ . 1 . 2]" 1
722 1 40 HIS HA 1 48 LYS HA 3.000 . 3.000 2.030 1.872 2.227 . 0 0 "[ . 1 . 2]" 1
723 1 40 HIS HA 1 48 LYS QB 3.000 . 3.000 2.860 2.083 3.176 0.176 17 0 "[ . 1 . 2]" 1
724 1 40 HIS HA 1 48 LYS QD 5.000 . 5.000 4.094 3.841 4.428 . 0 0 "[ . 1 . 2]" 1
725 1 40 HIS HA 1 48 LYS QG 5.000 . 5.000 3.145 2.485 4.353 . 0 0 "[ . 1 . 2]" 1
726 1 40 HIS QB 1 45 PRO HA 4.000 . 4.000 2.315 1.854 2.635 . 0 0 "[ . 1 . 2]" 1
727 1 40 HIS QB 1 48 LYS HA 4.000 . 4.000 3.276 3.061 3.516 . 0 0 "[ . 1 . 2]" 1
728 1 40 HIS QB 1 48 LYS QB 4.000 . 4.000 2.517 1.721 3.001 0.079 12 0 "[ . 1 . 2]" 1
729 1 40 HIS QB 1 48 LYS QD 5.000 . 5.000 2.374 2.175 2.851 . 0 0 "[ . 1 . 2]" 1
730 1 40 HIS QB 1 48 LYS QG 5.000 . 5.000 2.300 1.717 3.584 0.083 8 0 "[ . 1 . 2]" 1
731 1 40 HIS HD2 1 45 PRO HA 4.000 . 4.000 3.911 3.446 4.068 0.068 4 0 "[ . 1 . 2]" 1
732 1 27 ILE HG13 1 40 HIS HE1 5.000 . 5.000 5.382 5.297 5.655 0.655 20 1 "[ . 1 . +]" 1
733 1 29 THR MG 1 40 HIS HE1 4.000 . 4.000 3.028 2.584 3.991 . 0 0 "[ . 1 . 2]" 1
734 1 40 HIS HE1 1 42 GLU HA 6.000 . 6.000 6.053 5.649 6.196 0.196 4 0 "[ . 1 . 2]" 1
735 1 40 HIS HE1 1 45 PRO QB 5.000 . 5.000 4.342 3.277 5.054 0.054 19 0 "[ . 1 . 2]" 1
736 1 18 LEU MD1 1 41 ILE H 4.000 . 4.000 3.640 3.199 3.850 . 0 0 "[ . 1 . 2]" 1
737 1 40 HIS HA 1 41 ILE H 3.000 . 3.000 2.276 2.239 2.316 . 0 0 "[ . 1 . 2]" 1
738 1 40 HIS QB 1 41 ILE H 3.000 . 3.000 2.751 2.668 2.856 . 0 0 "[ . 1 . 2]" 1
739 1 40 HIS HD2 1 41 ILE H 5.000 . 5.000 3.944 3.696 4.107 . 0 0 "[ . 1 . 2]" 1
740 1 41 ILE H 1 42 GLU H 5.000 . 5.000 4.527 4.469 4.576 . 0 0 "[ . 1 . 2]" 1
741 1 41 ILE H 1 45 PRO HA 5.000 . 5.000 4.016 3.261 4.636 . 0 0 "[ . 1 . 2]" 1
742 1 41 ILE H 1 47 ARG QB 4.000 . 4.000 2.999 2.805 3.540 . 0 0 "[ . 1 . 2]" 1
743 1 41 ILE H 1 48 LYS H 5.000 . 5.000 4.926 4.852 5.088 0.088 6 0 "[ . 1 . 2]" 1
744 1 41 ILE H 1 48 LYS HA 4.000 . 4.000 3.438 3.328 3.564 . 0 0 "[ . 1 . 2]" 1
745 1 41 ILE HB 1 47 ARG QB 4.000 . 4.000 2.260 1.913 2.966 . 0 0 "[ . 1 . 2]" 1
746 1 6 THR MG 1 41 ILE MD 4.000 . 4.000 3.467 3.154 3.644 . 0 0 "[ . 1 . 2]" 1
747 1 18 LEU MD1 1 41 ILE MD 4.000 . 4.000 3.242 2.947 3.503 . 0 0 "[ . 1 . 2]" 1
748 1 18 LEU HG 1 41 ILE MD 5.000 . 5.000 3.325 3.132 3.514 . 0 0 "[ . 1 . 2]" 1
749 1 20 PHE HA 1 41 ILE MD 4.000 . 4.000 3.672 3.160 3.934 . 0 0 "[ . 1 . 2]" 1
750 1 20 PHE QD 1 41 ILE MD 4.000 . 4.000 3.284 3.136 3.513 . 0 0 "[ . 1 . 2]" 1
751 1 26 ILE MG 1 41 ILE MD 4.000 . 4.000 3.406 3.109 3.994 . 0 0 "[ . 1 . 2]" 1
752 1 41 ILE MD 1 47 ARG QB 5.000 . 5.000 3.720 3.165 4.410 . 0 0 "[ . 1 . 2]" 1
753 1 18 LEU MD1 1 41 ILE HG12 4.000 . 4.000 2.475 2.134 3.135 . 0 0 "[ . 1 . 2]" 1
754 1 41 ILE HG12 1 47 ARG QB 3.000 . 3.000 2.587 2.280 3.274 0.274 6 0 "[ . 1 . 2]" 1
755 1 41 ILE HG12 1 47 ARG QG 5.000 . 5.000 4.359 3.873 4.912 . 0 0 "[ . 1 . 2]" 1
756 1 41 ILE MG 1 44 GLN HA 5.000 . 5.000 4.531 4.189 4.885 . 0 0 "[ . 1 . 2]" 1
757 1 41 ILE MG 1 44 GLN QB 4.000 . 4.000 2.423 2.035 2.887 . 0 0 "[ . 1 . 2]" 1
758 1 41 ILE MG 1 44 GLN QG 5.000 . 5.000 3.805 2.770 4.517 . 0 0 "[ . 1 . 2]" 1
759 1 41 ILE MG 1 47 ARG QB 5.000 . 5.000 3.434 3.220 3.994 . 0 0 "[ . 1 . 2]" 1
760 1 41 ILE MG 1 47 ARG QD 5.000 . 5.000 3.666 2.780 5.089 0.089 7 0 "[ . 1 . 2]" 1
761 1 25 VAL HB 1 42 GLU H 4.000 . 4.000 3.640 3.167 4.006 0.006 3 0 "[ . 1 . 2]" 1
762 1 25 VAL MG1 1 42 GLU H 4.000 . 4.000 3.785 3.338 4.028 0.028 17 0 "[ . 1 . 2]" 1
763 1 26 ILE HA 1 42 GLU H 3.000 . 3.000 2.731 2.241 3.016 0.016 14 0 "[ . 1 . 2]" 1
764 1 26 ILE HG12 1 42 GLU H 5.000 . 5.000 4.226 3.744 4.427 . 0 0 "[ . 1 . 2]" 1
765 1 26 ILE MG 1 42 GLU H 5.000 . 5.000 4.425 4.113 4.595 . 0 0 "[ . 1 . 2]" 1
766 1 41 ILE HA 1 42 GLU H 3.000 . 3.000 2.154 2.125 2.193 . 0 0 "[ . 1 . 2]" 1
767 1 41 ILE MD 1 42 GLU H 5.000 . 5.000 3.474 3.281 4.198 . 0 0 "[ . 1 . 2]" 1
768 1 41 ILE HG12 1 42 GLU H 5.000 . 5.000 4.911 4.536 5.033 0.033 14 0 "[ . 1 . 2]" 1
769 1 41 ILE MG 1 42 GLU H 3.000 . 3.000 2.724 2.591 2.847 . 0 0 "[ . 1 . 2]" 1
770 1 40 HIS HD2 1 42 GLU HA 5.000 . 5.000 3.042 2.717 3.671 . 0 0 "[ . 1 . 2]" 1
771 1 25 VAL MG1 1 42 GLU QB 3.000 . 3.000 2.627 2.069 3.092 0.092 20 0 "[ . 1 . 2]" 1
772 1 25 VAL MG1 1 42 GLU QG 3.000 . 3.000 2.685 1.909 3.213 0.213 15 0 "[ . 1 . 2]" 1
773 1 27 ILE MD 1 42 GLU QG 3.000 . 3.000 2.875 1.747 3.224 0.224 12 0 "[ . 1 . 2]" 1
774 1 44 GLN HA 1 45 PRO HA 5.000 . 5.000 4.608 4.535 4.693 . 0 0 "[ . 1 . 2]" 1
775 1 44 GLN HA 1 45 PRO QB 5.000 . 5.000 4.764 4.681 4.879 . 0 0 "[ . 1 . 2]" 1
776 1 44 GLN HA 1 45 PRO QD 3.000 . 3.000 2.046 1.891 2.261 . 0 0 "[ . 1 . 2]" 1
777 1 44 GLN HA 1 45 PRO QG 5.000 . 5.000 3.943 3.800 4.141 . 0 0 "[ . 1 . 2]" 1
778 1 44 GLN QB 1 45 PRO QD 5.000 . 5.000 3.779 3.614 3.843 . 0 0 "[ . 1 . 2]" 1
779 1 44 GLN QB 1 47 ARG QD 5.000 . 5.000 4.033 2.609 5.043 0.043 7 0 "[ . 1 . 2]" 1
780 1 44 GLN HA 1 46 GLU H 4.000 . 4.000 3.337 2.895 3.701 . 0 0 "[ . 1 . 2]" 1
781 1 45 PRO HA 1 46 GLU H 4.000 . 4.000 3.355 3.202 3.503 . 0 0 "[ . 1 . 2]" 1
782 1 45 PRO QB 1 46 GLU H 4.000 . 4.000 3.468 2.992 3.831 . 0 0 "[ . 1 . 2]" 1
783 1 45 PRO QD 1 46 GLU H 4.000 . 4.000 2.739 2.492 3.107 . 0 0 "[ . 1 . 2]" 1
784 1 45 PRO QG 1 46 GLU H 4.000 . 4.000 3.701 3.002 4.079 0.079 1 0 "[ . 1 . 2]" 1
785 1 46 GLU H 1 47 ARG H 3.000 . 3.000 2.363 2.164 2.588 . 0 0 "[ . 1 . 2]" 1
786 1 46 GLU H 1 47 ARG HA 5.000 . 5.000 5.029 4.878 5.202 0.202 15 0 "[ . 1 . 2]" 1
787 1 45 PRO QB 1 46 GLU HA 5.000 . 5.000 4.101 3.832 4.335 . 0 0 "[ . 1 . 2]" 1
788 1 46 GLU HA 1 48 LYS QE 5.000 . 5.000 4.477 2.836 5.045 0.045 18 0 "[ . 1 . 2]" 1
789 1 46 GLU HA 1 48 LYS QG 5.000 . 5.000 3.606 3.088 4.319 . 0 0 "[ . 1 . 2]" 1
790 1 18 LEU MD1 1 47 ARG H 5.000 . 5.000 4.670 4.530 4.826 . 0 0 "[ . 1 . 2]" 1
791 1 40 HIS QB 1 47 ARG H 5.000 . 5.000 4.185 3.944 4.399 . 0 0 "[ . 1 . 2]" 1
792 1 45 PRO HA 1 47 ARG H 4.000 . 4.000 3.716 3.297 4.033 0.033 20 0 "[ . 1 . 2]" 1
793 1 46 GLU HA 1 47 ARG H 4.000 . 4.000 3.419 3.219 3.521 . 0 0 "[ . 1 . 2]" 1
794 1 46 GLU QB 1 47 ARG H 4.000 . 4.000 2.955 2.492 3.399 . 0 0 "[ . 1 . 2]" 1
795 1 46 GLU QG 1 47 ARG H 5.000 . 5.000 4.134 3.612 4.757 . 0 0 "[ . 1 . 2]" 1
796 1 47 ARG H 1 48 LYS H 4.000 . 4.000 4.029 3.731 4.109 0.109 3 0 "[ . 1 . 2]" 1
797 1 18 LEU MD1 1 47 ARG HA 4.000 . 4.000 3.205 2.858 3.710 . 0 0 "[ . 1 . 2]" 1
798 1 41 ILE HB 1 47 ARG QD 5.000 . 5.000 3.742 3.036 4.944 . 0 0 "[ . 1 . 2]" 1
799 1 41 ILE HG12 1 47 ARG QD 5.000 . 5.000 3.517 2.866 4.698 . 0 0 "[ . 1 . 2]" 1
800 1 44 GLN QB 1 47 ARG QG 5.000 . 5.000 3.783 2.506 5.122 0.122 6 0 "[ . 1 . 2]" 1
801 1 18 LEU MD1 1 48 LYS H 4.000 . 4.000 3.228 2.889 3.546 . 0 0 "[ . 1 . 2]" 1
802 1 18 LEU MD2 1 48 LYS H 5.000 . 5.000 4.786 4.482 5.039 0.039 14 0 "[ . 1 . 2]" 1
803 1 40 HIS HA 1 48 LYS H 5.000 . 5.000 4.508 4.418 4.625 . 0 0 "[ . 1 . 2]" 1
804 1 40 HIS QB 1 48 LYS H 5.000 . 5.000 4.608 4.424 4.793 . 0 0 "[ . 1 . 2]" 1
805 1 46 GLU HA 1 48 LYS H 5.000 . 5.000 4.727 4.503 5.008 0.008 6 0 "[ . 1 . 2]" 1
806 1 47 ARG HA 1 48 LYS H 3.000 . 3.000 2.248 2.118 2.326 . 0 0 "[ . 1 . 2]" 1
807 1 47 ARG QB 1 48 LYS H 4.000 . 4.000 3.799 3.695 3.963 . 0 0 "[ . 1 . 2]" 1
808 1 47 ARG QG 1 48 LYS H 5.000 . 5.000 4.183 3.390 4.712 . 0 0 "[ . 1 . 2]" 1
809 1 48 LYS H 1 49 GLY H 5.000 . 5.000 4.436 4.392 4.463 . 0 0 "[ . 1 . 2]" 1
810 1 46 GLU HA 1 48 LYS QD 5.000 . 5.000 4.471 3.877 5.056 0.056 3 0 "[ . 1 . 2]" 1
811 1 18 LEU QB 1 49 GLY H 5.000 . 5.000 3.622 3.265 3.993 . 0 0 "[ . 1 . 2]" 1
812 1 18 LEU MD2 1 49 GLY H 5.000 . 5.000 3.713 3.247 3.968 . 0 0 "[ . 1 . 2]" 1
813 1 38 ILE QG 1 49 GLY H 5.000 . 5.000 5.065 5.020 5.116 0.116 19 0 "[ . 1 . 2]" 1
814 1 38 ILE MG 1 49 GLY H 4.000 . 4.000 3.186 2.933 3.392 . 0 0 "[ . 1 . 2]" 1
815 1 39 GLY QA 1 49 GLY H 5.000 . 5.000 4.107 4.035 4.182 . 0 0 "[ . 1 . 2]" 1
816 1 40 HIS H 1 49 GLY H 5.000 . 5.000 5.097 5.032 5.179 0.179 14 0 "[ . 1 . 2]" 1
817 1 40 HIS HA 1 49 GLY H 4.000 . 4.000 3.742 3.632 3.878 . 0 0 "[ . 1 . 2]" 1
818 1 40 HIS QB 1 49 GLY H 5.000 . 5.000 4.474 4.330 4.662 . 0 0 "[ . 1 . 2]" 1
819 1 48 LYS HA 1 49 GLY H 3.000 . 3.000 2.453 2.338 2.548 . 0 0 "[ . 1 . 2]" 1
820 1 48 LYS QB 1 49 GLY H 4.000 . 4.000 2.298 2.150 2.483 . 0 0 "[ . 1 . 2]" 1
821 1 48 LYS QD 1 49 GLY H 5.000 . 5.000 4.441 4.110 4.652 . 0 0 "[ . 1 . 2]" 1
822 1 48 LYS QG 1 49 GLY H 5.000 . 5.000 3.935 3.258 4.181 . 0 0 "[ . 1 . 2]" 1
823 1 49 GLY H 1 50 VAL H 5.000 . 5.000 4.392 4.290 4.441 . 0 0 "[ . 1 . 2]" 1
824 1 18 LEU MD1 1 49 GLY QA 5.000 . 5.000 3.885 3.444 4.337 . 0 0 "[ . 1 . 2]" 1
825 1 48 LYS QG 1 49 GLY QA 5.000 . 5.000 4.647 3.326 5.122 0.122 9 0 "[ . 1 . 2]" 1
826 1 16 ASP QB 1 50 VAL H 5.000 . 5.000 4.429 3.721 5.076 0.076 20 0 "[ . 1 . 2]" 1
827 1 17 GLU H 1 50 VAL H 5.000 . 5.000 4.692 4.292 5.080 0.080 19 0 "[ . 1 . 2]" 1
828 1 17 GLU HA 1 50 VAL H 4.000 . 4.000 2.632 2.208 3.096 . 0 0 "[ . 1 . 2]" 1
829 1 18 LEU QB 1 50 VAL H 5.000 . 5.000 3.973 3.588 4.291 . 0 0 "[ . 1 . 2]" 1
830 1 49 GLY QA 1 50 VAL H 3.000 . 3.000 2.244 2.193 2.286 . 0 0 "[ . 1 . 2]" 1
831 1 50 VAL H 1 51 PHE H 5.000 . 5.000 4.540 4.462 4.569 . 0 0 "[ . 1 . 2]" 1
832 1 38 ILE HB 1 50 VAL HA 5.000 . 5.000 5.017 4.961 5.092 0.092 9 0 "[ . 1 . 2]" 1
833 1 38 ILE QG 1 50 VAL HA 5.000 . 5.000 2.902 2.767 3.033 . 0 0 "[ . 1 . 2]" 1
834 1 50 VAL HA 1 51 PHE QD 5.000 . 5.000 3.204 3.037 3.358 . 0 0 "[ . 1 . 2]" 1
835 1 36 TRP QB 1 50 VAL HB 4.000 . 4.000 3.078 2.842 3.357 . 0 0 "[ . 1 . 2]" 1
836 1 36 TRP HZ3 1 50 VAL HB 5.000 . 5.000 3.860 3.688 4.023 . 0 0 "[ . 1 . 2]" 1
837 1 17 GLU HA 1 50 VAL MG1 5.000 . 5.000 4.226 3.764 4.631 . 0 0 "[ . 1 . 2]" 1
838 1 38 ILE HA 1 50 VAL MG1 4.000 . 4.000 3.295 3.066 3.476 . 0 0 "[ . 1 . 2]" 1
839 1 38 ILE MD 1 50 VAL MG1 4.000 . 4.000 2.881 2.721 3.070 . 0 0 "[ . 1 . 2]" 1
840 1 49 GLY QA 1 50 VAL MG1 5.000 . 5.000 3.583 3.486 3.654 . 0 0 "[ . 1 . 2]" 1
841 1 16 ASP QB 1 50 VAL MG2 5.000 . 5.000 3.332 2.711 3.847 . 0 0 "[ . 1 . 2]" 1
842 1 36 TRP QB 1 50 VAL MG2 5.000 . 5.000 4.086 3.852 4.400 . 0 0 "[ . 1 . 2]" 1
843 1 36 TRP HE3 1 50 VAL MG2 4.000 . 4.000 2.879 2.615 3.195 . 0 0 "[ . 1 . 2]" 1
844 1 36 TRP QB 1 51 PHE H 5.000 . 5.000 4.396 4.259 4.579 . 0 0 "[ . 1 . 2]" 1
845 1 36 TRP HE3 1 51 PHE H 4.000 . 4.000 3.645 3.469 3.760 . 0 0 "[ . 1 . 2]" 1
846 1 36 TRP HZ3 1 51 PHE H 5.000 . 5.000 4.979 4.851 5.032 0.032 14 0 "[ . 1 . 2]" 1
847 1 37 TRP QB 1 51 PHE H 5.000 . 5.000 3.942 3.821 4.067 . 0 0 "[ . 1 . 2]" 1
848 1 38 ILE HA 1 51 PHE H 4.000 . 4.000 3.556 3.461 3.627 . 0 0 "[ . 1 . 2]" 1
849 1 50 VAL HA 1 51 PHE H 3.000 . 3.000 2.180 2.116 2.210 . 0 0 "[ . 1 . 2]" 1
850 1 50 VAL HB 1 51 PHE H 4.000 . 4.000 2.918 2.774 3.072 . 0 0 "[ . 1 . 2]" 1
851 1 50 VAL MG1 1 51 PHE H 4.000 . 4.000 3.719 3.582 3.784 . 0 0 "[ . 1 . 2]" 1
852 1 50 VAL MG2 1 51 PHE H 5.000 . 5.000 3.874 3.761 3.976 . 0 0 "[ . 1 . 2]" 1
853 1 51 PHE H 1 52 PRO QD 5.000 . 5.000 4.204 4.150 4.276 . 0 0 "[ . 1 . 2]" 1
854 1 20 PHE QE 1 51 PHE HA 5.000 . 5.000 3.222 2.858 3.503 . 0 0 "[ . 1 . 2]" 1
855 1 51 PHE HA 1 52 PRO QB 5.000 . 5.000 4.577 4.546 4.607 . 0 0 "[ . 1 . 2]" 1
856 1 51 PHE HA 1 52 PRO QD 3.000 . 3.000 1.957 1.922 1.997 . 0 0 "[ . 1 . 2]" 1
857 1 51 PHE HA 1 52 PRO QG 5.000 . 5.000 3.856 3.821 3.900 . 0 0 "[ . 1 . 2]" 1
858 1 18 LEU MD2 1 51 PHE QB 5.000 . 5.000 2.893 2.541 3.176 . 0 0 "[ . 1 . 2]" 1
859 1 51 PHE QB 1 52 PRO QD 4.000 . 4.000 2.499 2.370 2.624 . 0 0 "[ . 1 . 2]" 1
860 1 37 TRP QB 1 51 PHE QD 4.000 . 4.000 3.761 3.613 3.923 . 0 0 "[ . 1 . 2]" 1
861 1 51 PHE QD 1 56 VAL MG2 5.000 . 5.000 2.898 2.514 3.227 . 0 0 "[ . 1 . 2]" 1
862 1 28 VAL MG2 1 51 PHE HZ 4.000 . 4.000 1.787 1.724 1.946 0.076 9 0 "[ . 1 . 2]" 1
863 1 39 GLY QA 1 51 PHE HZ 4.000 . 4.000 3.159 3.026 3.295 . 0 0 "[ . 1 . 2]" 1
864 1 35 GLU QB 1 52 PRO HA 6.000 . 6.000 3.895 3.640 4.114 . 0 0 "[ . 1 . 2]" 1
865 1 36 TRP QB 1 52 PRO HA 6.000 . 6.000 4.482 4.335 4.632 . 0 0 "[ . 1 . 2]" 1
866 1 36 TRP HZ3 1 52 PRO HA 5.000 . 5.000 4.772 4.625 4.925 . 0 0 "[ . 1 . 2]" 1
867 1 51 PHE HA 1 52 PRO HA 5.000 . 5.000 4.402 4.385 4.429 . 0 0 "[ . 1 . 2]" 1
868 1 52 PRO HA 1 53 VAL HA 5.000 . 5.000 4.360 4.329 4.399 . 0 0 "[ . 1 . 2]" 1
869 1 52 PRO HA 1 53 VAL QG 5.000 . 5.000 3.355 3.281 3.431 . 0 0 "[ . 1 . 2]" 1
870 1 52 PRO HA 1 55 PHE QD 6.000 . 6.000 4.834 4.616 5.139 . 0 0 "[ . 1 . 2]" 1
871 1 20 PHE HZ 1 52 PRO QB 6.000 . 6.000 4.787 4.425 5.290 . 0 0 "[ . 1 . 2]" 1
872 1 52 PRO QB 1 55 PHE QD 4.000 . 4.000 2.230 2.050 2.522 . 0 0 "[ . 1 . 2]" 1
873 1 52 PRO QB 1 55 PHE QE 5.000 . 5.000 3.383 3.077 3.716 . 0 0 "[ . 1 . 2]" 1
874 1 20 PHE QE 1 52 PRO QD 4.000 . 4.000 2.778 2.238 3.238 . 0 0 "[ . 1 . 2]" 1
875 1 51 PHE QD 1 52 PRO QD 6.000 . 6.000 4.096 3.913 4.256 . 0 0 "[ . 1 . 2]" 1
876 1 20 PHE HZ 1 52 PRO QG 4.000 . 4.000 2.922 2.459 3.392 . 0 0 "[ . 1 . 2]" 1
877 1 36 TRP HH2 1 52 PRO QG 5.000 . 5.000 3.938 3.622 4.094 . 0 0 "[ . 1 . 2]" 1
878 1 51 PHE QB 1 52 PRO QG 4.000 . 4.000 3.929 3.799 4.004 0.004 14 0 "[ . 1 . 2]" 1
879 1 52 PRO QG 1 55 PHE QB 5.000 . 5.000 2.139 1.849 2.494 . 0 0 "[ . 1 . 2]" 1
880 1 35 GLU HA 1 53 VAL H 4.000 . 4.000 3.092 2.822 3.381 . 0 0 "[ . 1 . 2]" 1
881 1 35 GLU QB 1 53 VAL H 5.000 . 5.000 3.349 3.007 3.574 . 0 0 "[ . 1 . 2]" 1
882 1 35 GLU QG 1 53 VAL H 5.000 . 5.000 4.760 4.485 5.078 0.078 1 0 "[ . 1 . 2]" 1
883 1 36 TRP HA 1 53 VAL H 4.000 . 4.000 3.259 3.020 3.500 . 0 0 "[ . 1 . 2]" 1
884 1 52 PRO HA 1 53 VAL H 3.000 . 3.000 2.114 2.094 2.134 . 0 0 "[ . 1 . 2]" 1
885 1 52 PRO QB 1 53 VAL H 4.000 . 4.000 3.365 3.300 3.454 . 0 0 "[ . 1 . 2]" 1
886 1 53 VAL H 1 54 SER H 3.000 . 3.000 2.599 2.493 2.683 . 0 0 "[ . 1 . 2]" 1
887 1 51 PHE QD 1 53 VAL HA 5.000 . 5.000 3.560 3.466 3.706 . 0 0 "[ . 1 . 2]" 1
888 1 53 VAL HA 1 56 VAL MG1 4.000 . 4.000 3.492 3.265 3.797 . 0 0 "[ . 1 . 2]" 1
889 1 53 VAL HA 1 56 VAL MG2 3.000 . 3.000 1.948 1.745 2.265 0.055 4 0 "[ . 1 . 2]" 1
890 1 53 VAL QG 1 54 SER HA 5.000 . 5.000 3.779 3.696 3.936 . 0 0 "[ . 1 . 2]" 1
891 1 53 VAL QG 1 54 SER HB2 5.000 . 5.000 5.136 4.533 5.627 0.627 4 5 "[ +* * 1* - 2]" 1
892 1 53 VAL QG 1 56 VAL MG2 4.000 . 4.000 2.521 2.367 2.715 . 0 0 "[ . 1 . 2]" 1
893 1 53 VAL QG 1 58 ILE MD 4.000 . 4.000 2.319 1.996 2.832 . 0 0 "[ . 1 . 2]" 1
894 1 35 GLU QB 1 53 VAL QG 5.000 . 5.000 3.518 3.242 3.734 . 0 0 "[ . 1 . 2]" 1
895 1 37 TRP QB 1 53 VAL QG 4.000 . 4.000 2.758 2.554 2.990 . 0 0 "[ . 1 . 2]" 1
896 1 52 PRO QB 1 54 SER H 4.000 . 4.000 2.983 2.847 3.147 . 0 0 "[ . 1 . 2]" 1
897 1 52 PRO QG 1 54 SER H 5.000 . 5.000 4.611 4.449 4.769 . 0 0 "[ . 1 . 2]" 1
898 1 53 VAL HA 1 54 SER H 4.000 . 4.000 3.461 3.425 3.486 . 0 0 "[ . 1 . 2]" 1
899 1 53 VAL HB 1 54 SER H 4.000 . 4.000 2.988 2.871 3.071 . 0 0 "[ . 1 . 2]" 1
900 1 53 VAL QG 1 54 SER H 4.000 . 4.000 3.417 3.361 3.456 . 0 0 "[ . 1 . 2]" 1
901 1 54 SER H 1 55 PHE H 3.000 . 3.000 2.597 2.510 2.759 . 0 0 "[ . 1 . 2]" 1
902 1 54 SER H 1 55 PHE QD 5.000 . 5.000 3.448 3.247 3.646 . 0 0 "[ . 1 . 2]" 1
903 1 54 SER H 1 56 VAL H 5.000 . 5.000 4.254 4.130 4.442 . 0 0 "[ . 1 . 2]" 1
904 1 54 SER HB2 1 55 PHE QD 4.000 . 4.000 3.234 2.224 4.398 0.398 20 0 "[ . 1 . 2]" 1
905 1 8 TYR QD 1 55 PHE H 6.000 . 6.000 4.679 4.511 4.975 . 0 0 "[ . 1 . 2]" 1
906 1 20 PHE HZ 1 55 PHE H 6.000 . 6.000 4.997 4.470 5.476 . 0 0 "[ . 1 . 2]" 1
907 1 52 PRO QB 1 55 PHE H 4.000 . 4.000 3.138 2.856 3.557 . 0 0 "[ . 1 . 2]" 1
908 1 52 PRO QD 1 55 PHE H 6.000 . 6.000 5.096 4.959 5.341 . 0 0 "[ . 1 . 2]" 1
909 1 52 PRO QG 1 55 PHE H 4.000 . 4.000 3.674 3.473 4.015 0.015 10 0 "[ . 1 . 2]" 1
910 1 53 VAL HA 1 55 PHE H 4.000 . 4.000 3.505 3.346 3.691 . 0 0 "[ . 1 . 2]" 1
911 1 53 VAL QG 1 55 PHE H 6.000 . 6.000 4.220 4.117 4.332 . 0 0 "[ . 1 . 2]" 1
912 1 54 SER HA 1 55 PHE H 4.000 . 4.000 3.330 3.156 3.401 . 0 0 "[ . 1 . 2]" 1
913 1 54 SER HB2 1 55 PHE H 5.000 . 5.000 3.834 3.196 4.408 . 0 0 "[ . 1 . 2]" 1
914 1 55 PHE H 1 56 VAL H 3.000 . 3.000 2.299 2.049 2.455 . 0 0 "[ . 1 . 2]" 1
915 1 55 PHE H 1 56 VAL MG1 4.000 . 4.000 3.417 3.285 3.589 . 0 0 "[ . 1 . 2]" 1
916 1 8 TYR QB 1 55 PHE HA 4.000 . 4.000 2.608 2.186 2.825 . 0 0 "[ . 1 . 2]" 1
917 1 8 TYR QD 1 55 PHE HA 3.000 . 3.000 1.873 1.707 2.219 0.093 17 0 "[ . 1 . 2]" 1
918 1 52 PRO QD 1 55 PHE QB 6.000 . 6.000 3.597 3.383 3.781 . 0 0 "[ . 1 . 2]" 1
919 1 52 PRO QD 1 55 PHE QD 6.000 . 6.000 4.517 4.417 4.628 . 0 0 "[ . 1 . 2]" 1
920 1 20 PHE QE 1 55 PHE QD 4.000 . 4.000 3.354 3.065 3.528 . 0 0 "[ . 1 . 2]" 1
921 1 52 PRO QG 1 55 PHE QD 4.000 . 4.000 2.882 2.623 3.040 . 0 0 "[ . 1 . 2]" 1
922 1 10 CYS QB 1 55 PHE QE 4.000 . 4.000 3.941 3.274 4.050 0.050 7 0 "[ . 1 . 2]" 1
923 1 52 PRO QG 1 55 PHE QE 5.000 . 5.000 3.677 3.438 3.839 . 0 0 "[ . 1 . 2]" 1
924 1 6 THR HA 1 56 VAL H 5.000 . 5.000 4.677 4.532 4.862 . 0 0 "[ . 1 . 2]" 1
925 1 7 ILE H 1 56 VAL H 5.000 . 5.000 4.440 4.262 4.600 . 0 0 "[ . 1 . 2]" 1
926 1 7 ILE MD 1 56 VAL H 4.000 . 4.000 3.857 3.611 4.022 0.022 12 0 "[ . 1 . 2]" 1
927 1 7 ILE HG13 1 56 VAL H 5.000 . 5.000 4.570 4.255 5.031 0.031 12 0 "[ . 1 . 2]" 1
928 1 8 TYR QD 1 56 VAL H 5.000 . 5.000 4.459 4.066 4.831 . 0 0 "[ . 1 . 2]" 1
929 1 8 TYR H 1 56 VAL H 6.000 . 6.000 5.526 5.346 5.769 . 0 0 "[ . 1 . 2]" 1
930 1 52 PRO QB 1 56 VAL H 6.000 . 6.000 5.268 4.994 5.567 . 0 0 "[ . 1 . 2]" 1
931 1 52 PRO QG 1 56 VAL H 6.000 . 6.000 5.398 5.151 5.728 . 0 0 "[ . 1 . 2]" 1
932 1 53 VAL HA 1 56 VAL H 4.000 . 4.000 3.637 3.458 3.879 . 0 0 "[ . 1 . 2]" 1
933 1 53 VAL QG 1 56 VAL H 5.000 . 5.000 4.044 3.882 4.170 . 0 0 "[ . 1 . 2]" 1
934 1 54 SER HA 1 56 VAL H 4.000 . 4.000 3.716 3.571 3.867 . 0 0 "[ . 1 . 2]" 1
935 1 55 PHE HA 1 56 VAL H 4.000 . 4.000 3.249 3.194 3.278 . 0 0 "[ . 1 . 2]" 1
936 1 55 PHE QB 1 56 VAL H 4.000 . 4.000 3.457 3.383 3.552 . 0 0 "[ . 1 . 2]" 1
937 1 55 PHE QD 1 56 VAL H 5.000 . 5.000 4.552 4.474 4.673 . 0 0 "[ . 1 . 2]" 1
938 1 56 VAL H 1 57 HIS H 5.000 . 5.000 4.456 4.420 4.489 . 0 0 "[ . 1 . 2]" 1
939 1 4 VAL MG2 1 56 VAL HA 5.000 . 5.000 4.478 4.294 4.893 . 0 0 "[ . 1 . 2]" 1
940 1 7 ILE MD 1 56 VAL HA 4.000 . 4.000 3.864 3.625 4.024 0.024 2 0 "[ . 1 . 2]" 1
941 1 4 VAL HA 1 56 VAL HB 5.000 . 5.000 3.979 3.770 4.173 . 0 0 "[ . 1 . 2]" 1
942 1 4 VAL MG1 1 56 VAL HB 4.000 . 4.000 3.281 3.112 3.581 . 0 0 "[ . 1 . 2]" 1
943 1 4 VAL HB 1 56 VAL MG1 4.000 . 4.000 3.131 2.966 3.274 . 0 0 "[ . 1 . 2]" 1
944 1 4 VAL MG2 1 56 VAL MG1 3.000 . 3.000 2.276 2.178 2.519 . 0 0 "[ . 1 . 2]" 1
945 1 6 THR HA 1 56 VAL MG1 3.000 . 3.000 2.175 1.760 2.481 0.040 3 0 "[ . 1 . 2]" 1
946 1 6 THR MG 1 56 VAL MG1 3.000 . 3.000 1.813 1.744 1.993 0.056 1 0 "[ . 1 . 2]" 1
947 1 20 PHE QE 1 56 VAL MG1 5.000 . 5.000 3.415 3.156 3.667 . 0 0 "[ . 1 . 2]" 1
948 1 51 PHE QD 1 56 VAL MG1 4.000 . 4.000 2.274 1.997 2.612 . 0 0 "[ . 1 . 2]" 1
949 1 55 PHE QB 1 56 VAL MG1 4.000 . 4.000 2.830 2.722 2.911 . 0 0 "[ . 1 . 2]" 1
950 1 4 VAL HB 1 57 HIS H 4.000 . 4.000 3.413 2.896 3.835 . 0 0 "[ . 1 . 2]" 1
951 1 4 VAL MG1 1 57 HIS H 5.000 . 5.000 4.626 4.119 4.988 . 0 0 "[ . 1 . 2]" 1
952 1 4 VAL MG2 1 57 HIS H 5.000 . 5.000 4.436 4.142 4.744 . 0 0 "[ . 1 . 2]" 1
953 1 5 LYS QB 1 57 HIS H 5.000 . 5.000 3.438 3.184 3.738 . 0 0 "[ . 1 . 2]" 1
954 1 5 LYS QD 1 57 HIS H 5.000 . 5.000 5.126 4.839 5.281 0.281 11 0 "[ . 1 . 2]" 1
955 1 6 THR H 1 57 HIS H 5.000 . 5.000 4.280 4.054 4.615 . 0 0 "[ . 1 . 2]" 1
956 1 6 THR HA 1 57 HIS H 4.000 . 4.000 3.299 3.019 3.732 . 0 0 "[ . 1 . 2]" 1
957 1 6 THR MG 1 57 HIS H 5.000 . 5.000 4.625 4.407 4.991 . 0 0 "[ . 1 . 2]" 1
958 1 7 ILE MG 1 57 HIS H 4.000 . 4.000 3.105 2.737 3.530 . 0 0 "[ . 1 . 2]" 1
959 1 56 VAL HA 1 57 HIS H 3.000 . 3.000 2.290 2.198 2.397 . 0 0 "[ . 1 . 2]" 1
960 1 56 VAL HB 1 57 HIS H 3.000 . 3.000 2.604 2.293 2.810 . 0 0 "[ . 1 . 2]" 1
961 1 56 VAL MG1 1 57 HIS H 5.000 . 5.000 3.738 3.614 3.803 . 0 0 "[ . 1 . 2]" 1
962 1 56 VAL MG2 1 57 HIS H 4.000 . 4.000 3.543 3.199 3.710 . 0 0 "[ . 1 . 2]" 1
963 1 57 HIS H 1 58 ILE H 5.000 . 5.000 4.249 4.104 4.519 . 0 0 "[ . 1 . 2]" 1
964 1 7 ILE MG 1 57 HIS HA 4.000 . 4.000 3.931 3.799 4.099 0.099 3 0 "[ . 1 . 2]" 1
965 1 56 VAL MG2 1 57 HIS HA 4.000 . 4.000 3.884 3.507 4.022 0.022 19 0 "[ . 1 . 2]" 1
966 1 57 HIS HA 1 58 ILE HA 5.000 . 5.000 4.390 4.320 4.447 . 0 0 "[ . 1 . 2]" 1
967 1 57 HIS HA 1 58 ILE HB 5.000 . 5.000 4.694 4.545 4.880 . 0 0 "[ . 1 . 2]" 1
968 1 57 HIS HA 1 58 ILE MD 5.000 . 5.000 4.659 2.902 5.058 0.058 7 0 "[ . 1 . 2]" 1
969 1 57 HIS HA 1 58 ILE HG12 5.000 . 5.000 4.961 3.515 5.876 0.876 8 3 "[ -. + 1 * . 2]" 1
970 1 5 LYS QB 1 57 HIS QB 4.000 . 4.000 2.477 2.108 2.877 . 0 0 "[ . 1 . 2]" 1
971 1 57 HIS QB 1 59 LEU MD2 5.000 . 5.000 3.357 3.013 3.611 . 0 0 "[ . 1 . 2]" 1
972 1 5 LYS QB 1 57 HIS HD2 5.000 . 5.000 4.700 4.181 5.049 0.049 4 0 "[ . 1 . 2]" 1
973 1 57 HIS HD2 1 59 LEU MD2 5.000 . 5.000 3.831 2.829 5.003 0.003 3 0 "[ . 1 . 2]" 1
974 1 7 ILE MG 1 57 HIS HE1 4.000 . 4.000 4.031 3.318 4.171 0.171 13 0 "[ . 1 . 2]" 1
975 1 57 HIS HA 1 58 ILE H 3.000 . 3.000 2.201 2.158 2.429 . 0 0 "[ . 1 . 2]" 1
976 1 57 HIS QB 1 58 ILE H 4.000 . 4.000 3.710 2.501 3.921 . 0 0 "[ . 1 . 2]" 1
977 1 57 HIS HD2 1 58 ILE H 5.000 . 5.000 4.060 3.224 5.086 0.086 3 0 "[ . 1 . 2]" 1
978 1 58 ILE H 1 59 LEU H 5.000 . 5.000 4.571 4.503 4.627 . 0 0 "[ . 1 . 2]" 1
979 1 58 ILE H 1 59 LEU MD2 5.000 . 5.000 4.476 3.935 4.802 . 0 0 "[ . 1 . 2]" 1
980 1 3 ARG QB 1 58 ILE HA 5.000 . 5.000 5.060 4.737 5.168 0.168 1 0 "[ . 1 . 2]" 1
981 1 4 VAL HB 1 58 ILE HA 4.000 . 4.000 3.324 3.080 3.716 . 0 0 "[ . 1 . 2]" 1
982 1 4 VAL MG2 1 58 ILE HA 5.000 . 5.000 4.389 4.279 4.682 . 0 0 "[ . 1 . 2]" 1
983 1 58 ILE HA 1 59 LEU MD2 4.000 . 4.000 3.589 3.314 3.782 . 0 0 "[ . 1 . 2]" 1
984 1 4 VAL HA 1 58 ILE MD 5.000 . 5.000 4.985 3.483 5.237 0.237 16 0 "[ . 1 . 2]" 1
985 1 37 TRP HE3 1 58 ILE MD 5.000 . 5.000 4.321 3.927 4.819 . 0 0 "[ . 1 . 2]" 1
986 1 37 TRP HZ3 1 58 ILE MD 5.000 . 5.000 2.577 2.134 3.436 . 0 0 "[ . 1 . 2]" 1
987 1 2 ARG QD 1 58 ILE MG 5.000 . 5.000 2.895 2.081 4.165 . 0 0 "[ . 1 . 2]" 1
988 1 4 VAL HA 1 58 ILE MG 4.000 . 4.000 3.660 3.365 4.057 0.057 4 0 "[ . 1 . 2]" 1
989 1 37 TRP HH2 1 58 ILE MG 5.000 . 5.000 3.553 2.925 4.173 . 0 0 "[ . 1 . 2]" 1
990 1 37 TRP HZ3 1 58 ILE MG 5.000 . 5.000 3.135 2.608 3.703 . 0 0 "[ . 1 . 2]" 1
991 1 58 ILE MG 1 59 LEU HA 5.000 . 5.000 3.687 3.529 4.057 . 0 0 "[ . 1 . 2]" 1
992 1 58 ILE MG 1 60 SER HA 4.000 . 4.000 3.667 2.750 4.059 0.059 3 0 "[ . 1 . 2]" 1
993 1 4 VAL HA 1 59 LEU H 4.000 . 4.000 2.649 2.427 2.823 . 0 0 "[ . 1 . 2]" 1
994 1 4 VAL HB 1 59 LEU H 5.000 . 5.000 4.862 4.631 5.030 0.030 3 0 "[ . 1 . 2]" 1
995 1 58 ILE HA 1 59 LEU H 3.000 . 3.000 2.155 2.098 2.218 . 0 0 "[ . 1 . 2]" 1
996 1 58 ILE HB 1 59 LEU H 5.000 . 5.000 3.992 3.865 4.142 . 0 0 "[ . 1 . 2]" 1
997 1 58 ILE MD 1 59 LEU H 5.000 . 5.000 4.814 3.749 5.031 0.031 5 0 "[ . 1 . 2]" 1
998 1 58 ILE HG12 1 59 LEU H 5.000 . 5.000 4.410 4.037 5.036 0.036 3 0 "[ . 1 . 2]" 1
999 1 58 ILE MG 1 59 LEU H 4.000 . 4.000 2.389 2.267 2.578 . 0 0 "[ . 1 . 2]" 1
1000 1 59 LEU H 1 60 SER H 5.000 . 5.000 3.989 2.120 4.505 . 0 0 "[ . 1 . 2]" 1
1001 1 4 VAL HA 1 59 LEU MD1 4.000 . 4.000 3.883 3.500 4.066 0.066 14 0 "[ . 1 . 2]" 1
1002 1 5 LYS HA 1 59 LEU MD1 5.000 . 5.000 4.115 3.403 4.679 . 0 0 "[ . 1 . 2]" 1
1003 1 5 LYS QE 1 59 LEU MD1 5.000 . 5.000 4.303 3.179 5.014 0.014 10 0 "[ . 1 . 2]" 1
1004 1 5 LYS QG 1 59 LEU MD1 5.000 . 5.000 3.959 2.889 4.911 . 0 0 "[ . 1 . 2]" 1
1005 1 58 ILE MG 1 60 SER H 5.000 . 5.000 3.604 1.793 4.192 0.007 9 0 "[ . 1 . 2]" 1
1006 1 59 LEU HA 1 60 SER H 4.000 . 4.000 2.383 2.154 3.546 . 0 0 "[ . 1 . 2]" 1
1007 1 59 LEU QB 1 60 SER H 4.000 . 4.000 3.196 2.396 3.754 . 0 0 "[ . 1 . 2]" 1
1008 1 59 LEU MD2 1 60 SER H 5.000 . 5.000 4.234 4.024 4.806 . 0 0 "[ . 1 . 2]" 1
1009 1 58 ILE MG 1 60 SER QB 4.000 . 4.000 3.861 2.490 4.141 0.141 15 0 "[ . 1 . 2]" 1
1010 1 58 ILE MG 1 61 ASP H 5.000 . 5.000 4.865 4.043 5.101 0.101 3 0 "[ . 1 . 2]" 1
1011 1 59 LEU QB 1 61 ASP H 4.000 . 4.000 2.498 2.058 2.952 . 0 0 "[ . 1 . 2]" 1
1012 1 59 LEU MD1 1 61 ASP H 5.000 . 5.000 4.272 3.550 4.809 . 0 0 "[ . 1 . 2]" 1
1013 1 59 LEU MD2 1 61 ASP H 5.000 . 5.000 4.728 4.243 5.094 0.094 19 0 "[ . 1 . 2]" 1
1014 1 60 SER H 1 61 ASP H 4.000 . 4.000 2.747 2.328 3.259 . 0 0 "[ . 1 . 2]" 1
1015 1 60 SER HA 1 61 ASP H 3.000 . 3.000 2.923 2.646 3.132 0.132 16 0 "[ . 1 . 2]" 1
1016 1 60 SER QB 1 61 ASP H 4.000 . 4.000 3.848 3.504 4.010 0.010 6 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 29
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 28.267
_Distance_constraint_stats_list.Viol_max 0.088
_Distance_constraint_stats_list.Viol_rms 0.0099
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0353
_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 4 VAL 0.557 0.049 12 0 "[ . 1 . 2]"
1 6 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ILE 0.040 0.040 11 0 "[ . 1 . 2]"
1 8 TYR 0.040 0.040 11 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ILE 0.752 0.088 13 0 "[ . 1 . 2]"
1 27 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ILE 0.817 0.088 13 0 "[ . 1 . 2]"
1 42 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ARG 0.064 0.047 19 0 "[ . 1 . 2]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ILE 0.557 0.049 12 0 "[ . 1 . 2]"
1 59 LEU 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 VAL MG1 1 58 ILE QG . . 7.000 1.864 1.751 3.607 0.049 12 0 "[ . 1 . 2]" 2
2 1 6 THR MG 1 26 ILE QG . . 6.000 2.420 2.194 2.651 . 0 0 "[ . 1 . 2]" 2
3 1 7 ILE QG 1 8 TYR QD . . 7.400 2.114 1.760 2.803 0.040 11 0 "[ . 1 . 2]" 2
4 1 7 ILE QG 1 8 TYR QE . . 7.400 2.924 2.476 3.274 . 0 0 "[ . 1 . 2]" 2
5 1 7 ILE QG 1 55 PHE HA . . 5.000 3.181 2.989 3.414 . 0 0 "[ . 1 . 2]" 2
6 1 7 ILE QG 1 56 VAL HA . . 5.000 2.566 2.277 2.834 . 0 0 "[ . 1 . 2]" 2
7 1 7 ILE QG 1 8 TYR H . . 5.000 2.984 2.731 3.183 . 0 0 "[ . 1 . 2]" 2
8 1 18 LEU MD2 1 26 ILE QG . . 6.000 2.692 2.501 2.848 . 0 0 "[ . 1 . 2]" 2
9 1 26 ILE QG 1 41 ILE MD . . 5.000 1.788 1.712 2.308 0.088 13 0 "[ . 1 . 2]" 2
10 1 26 ILE QG 1 41 ILE MG . . 7.000 3.861 3.177 4.023 . 0 0 "[ . 1 . 2]" 2
11 1 26 ILE QG 1 27 ILE H . . 6.000 4.168 4.049 4.237 . 0 0 "[ . 1 . 2]" 2
12 1 27 ILE QG 1 42 GLU HA . . 5.000 3.482 2.679 4.057 . 0 0 "[ . 1 . 2]" 2
13 1 27 ILE QG 1 42 GLU QB . . 7.000 2.977 1.822 4.806 . 0 0 "[ . 1 . 2]" 2
14 1 27 ILE QG 1 28 VAL H . . 6.000 4.117 3.997 4.252 . 0 0 "[ . 1 . 2]" 2
15 1 37 TRP HH2 1 58 ILE QG . . 6.000 3.695 1.867 4.359 . 0 0 "[ . 1 . 2]" 2
16 1 26 ILE QG 1 40 HIS H . . 6.000 5.004 4.935 5.041 . 0 0 "[ . 1 . 2]" 2
17 1 27 ILE QG 1 40 HIS HE1 . . 6.000 4.992 4.022 5.131 . 0 0 "[ . 1 . 2]" 2
18 1 18 LEU MD1 1 41 ILE QG . . 6.000 2.324 2.037 2.577 . 0 0 "[ . 1 . 2]" 2
19 1 41 ILE QG 1 47 ARG QB . . 5.000 2.231 1.753 2.851 0.047 19 0 "[ . 1 . 2]" 2
20 1 41 ILE QG 1 47 ARG QG . . 7.000 3.533 2.890 3.920 . 0 0 "[ . 1 . 2]" 2
21 1 26 ILE QG 1 42 GLU H . . 6.000 3.984 3.545 4.189 . 0 0 "[ . 1 . 2]" 2
22 1 41 ILE QG 1 42 GLU H . . 6.000 4.549 4.336 4.639 . 0 0 "[ . 1 . 2]" 2
23 1 41 ILE QG 1 47 ARG QD . . 7.000 2.449 1.783 3.623 0.017 2 0 "[ . 1 . 2]" 2
24 1 53 VAL QG 1 54 SER QB . . 7.000 4.529 4.260 4.735 . 0 0 "[ . 1 . 2]" 2
25 1 54 SER QB 1 55 PHE QD . . 7.400 2.699 2.206 3.307 . 0 0 "[ . 1 . 2]" 2
26 1 54 SER QB 1 55 PHE H . . 6.000 3.419 3.105 3.765 . 0 0 "[ . 1 . 2]" 2
27 1 7 ILE QG 1 56 VAL H . . 6.000 3.634 3.400 3.795 . 0 0 "[ . 1 . 2]" 2
28 1 57 HIS HA 1 58 ILE QG . . 6.000 3.717 3.371 4.769 . 0 0 "[ . 1 . 2]" 2
29 1 58 ILE QG 1 59 LEU H . . 6.000 4.047 3.756 4.568 . 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 50
_Distance_constraint_stats_list.Viol_count 410
_Distance_constraint_stats_list.Viol_total 261.760
_Distance_constraint_stats_list.Viol_max 0.143
_Distance_constraint_stats_list.Viol_rms 0.0230
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0131
_Distance_constraint_stats_list.Viol_average_violations_only 0.0319
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ARG 0.263 0.106 15 0 "[ . 1 . 2]"
1 3 ARG 1.362 0.083 12 0 "[ . 1 . 2]"
1 4 VAL 1.508 0.086 15 0 "[ . 1 . 2]"
1 5 LYS 2.934 0.099 17 0 "[ . 1 . 2]"
1 6 THR 0.200 0.049 4 0 "[ . 1 . 2]"
1 7 ILE 0.079 0.023 16 0 "[ . 1 . 2]"
1 21 ILE 2.575 0.143 7 0 "[ . 1 . 2]"
1 23 GLY 0.143 0.049 4 0 "[ . 1 . 2]"
1 24 GLU 2.633 0.143 7 0 "[ . 1 . 2]"
1 25 VAL 0.714 0.090 19 0 "[ . 1 . 2]"
1 26 ILE 1.508 0.086 15 0 "[ . 1 . 2]"
1 27 ILE 0.804 0.073 6 0 "[ . 1 . 2]"
1 28 VAL 0.263 0.106 15 0 "[ . 1 . 2]"
1 29 THR 0.122 0.030 6 0 "[ . 1 . 2]"
1 30 GLY 0.725 0.041 13 0 "[ . 1 . 2]"
1 32 GLU 0.374 0.075 18 0 "[ . 1 . 2]"
1 35 GLU 0.103 0.032 4 0 "[ . 1 . 2]"
1 36 TRP 0.374 0.075 18 0 "[ . 1 . 2]"
1 37 TRP 0.527 0.044 10 0 "[ . 1 . 2]"
1 38 ILE 0.847 0.041 13 0 "[ . 1 . 2]"
1 39 GLY 0.022 0.013 14 0 "[ . 1 . 2]"
1 40 HIS 0.804 0.073 6 0 "[ . 1 . 2]"
1 41 ILE 0.280 0.036 5 0 "[ . 1 . 2]"
1 42 GLU 0.714 0.090 19 0 "[ . 1 . 2]"
1 47 ARG 0.280 0.036 5 0 "[ . 1 . 2]"
1 49 GLY 0.022 0.013 14 0 "[ . 1 . 2]"
1 51 PHE 0.527 0.044 10 0 "[ . 1 . 2]"
1 52 PRO 0.061 0.020 18 0 "[ . 1 . 2]"
1 53 VAL 0.538 0.057 19 0 "[ . 1 . 2]"
1 55 PHE 0.140 0.023 16 0 "[ . 1 . 2]"
1 56 VAL 0.435 0.057 19 0 "[ . 1 . 2]"
1 57 HIS 2.934 0.099 17 0 "[ . 1 . 2]"
1 59 LEU 1.362 0.083 12 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 VAL H 1 26 ILE O 1.960 . 2.100 1.800 1.734 1.836 0.086 15 0 "[ . 1 . 2]" 3
2 1 4 VAL N 1 26 ILE O 2.910 2.770 3.050 2.734 2.690 2.791 0.080 12 0 "[ . 1 . 2]" 3
3 1 5 LYS H 1 57 HIS O 1.960 . 2.120 1.803 1.752 1.931 0.048 6 0 "[ . 1 . 2]" 3
4 1 5 LYS N 1 57 HIS O 2.910 2.770 3.050 2.714 2.679 2.761 0.091 12 0 "[ . 1 . 2]" 3
5 1 6 THR H 1 24 GLU O 1.960 . 2.120 1.954 1.836 2.148 0.028 9 0 "[ . 1 . 2]" 3
6 1 6 THR N 1 24 GLU O 2.910 2.770 3.050 2.915 2.805 3.077 0.027 9 0 "[ . 1 . 2]" 3
7 1 7 ILE H 1 55 PHE O 1.960 . 2.120 1.947 1.782 2.143 0.023 16 0 "[ . 1 . 2]" 3
8 1 7 ILE N 1 55 PHE O 2.910 2.770 3.050 2.865 2.757 3.028 0.013 4 0 "[ . 1 . 2]" 3
9 1 6 THR O 1 23 GLY H 1.960 . 2.120 2.023 1.889 2.169 0.049 4 0 "[ . 1 . 2]" 3
10 1 6 THR O 1 23 GLY N 2.910 2.750 3.070 2.826 2.744 2.963 0.006 3 0 "[ . 1 . 2]" 3
11 1 21 ILE O 1 24 GLU H 2.130 . 2.280 2.367 2.300 2.423 0.143 7 0 "[ . 1 . 2]" 3
12 1 21 ILE O 1 24 GLU N 3.060 2.940 3.180 3.217 3.102 3.269 0.089 7 0 "[ . 1 . 2]" 3
13 1 4 VAL O 1 26 ILE H 1.960 . 2.120 1.826 1.749 1.956 0.051 19 0 "[ . 1 . 2]" 3
14 1 4 VAL O 1 26 ILE N 2.910 2.750 3.070 2.796 2.722 2.917 0.028 19 0 "[ . 1 . 2]" 3
15 1 27 ILE H 1 40 HIS O 1.960 . 2.120 1.890 1.787 2.033 0.013 12 0 "[ . 1 . 2]" 3
16 1 27 ILE N 1 40 HIS O 2.910 2.750 3.070 2.820 2.723 2.946 0.027 19 0 "[ . 1 . 2]" 3
17 1 2 ARG O 1 28 VAL H 1.960 . 2.120 2.014 1.823 2.226 0.106 15 0 "[ . 1 . 2]" 3
18 1 2 ARG O 1 28 VAL N 2.910 2.750 3.070 2.882 2.718 3.079 0.032 14 0 "[ . 1 . 2]" 3
19 1 29 THR H 1 38 ILE O 1.960 . 2.120 1.918 1.852 2.062 . 0 0 "[ . 1 . 2]" 3
20 1 29 THR N 1 38 ILE O 2.910 2.750 3.070 2.762 2.720 2.876 0.030 6 0 "[ . 1 . 2]" 3
21 1 30 GLY H 1 38 ILE O 1.960 . 2.120 1.936 1.836 2.084 . 0 0 "[ . 1 . 2]" 3
22 1 30 GLY N 1 38 ILE O 2.910 2.750 3.070 2.777 2.737 2.858 0.013 17 0 "[ . 1 . 2]" 3
23 1 32 GLU H 1 36 TRP O 1.960 . 2.120 2.081 1.917 2.195 0.075 18 0 "[ . 1 . 2]" 3
24 1 32 GLU N 1 36 TRP O 2.910 2.750 3.070 2.946 2.813 3.122 0.052 16 0 "[ . 1 . 2]" 3
25 1 37 TRP H 1 51 PHE O 1.960 . 2.120 2.105 2.050 2.135 0.015 16 0 "[ . 1 . 2]" 3
26 1 37 TRP N 1 51 PHE O 2.910 2.770 3.050 3.070 3.022 3.094 0.044 10 0 "[ . 1 . 2]" 3
27 1 30 GLY O 1 38 ILE H 1.960 . 2.120 1.788 1.767 1.801 0.033 13 0 "[ . 1 . 2]" 3
28 1 30 GLY O 1 38 ILE N 2.910 2.770 3.050 2.748 2.729 2.761 0.041 13 0 "[ . 1 . 2]" 3
29 1 39 GLY H 1 49 GLY O 1.960 . 2.120 2.040 1.932 2.133 0.013 14 0 "[ . 1 . 2]" 3
30 1 39 GLY N 1 49 GLY O 2.910 2.770 3.050 2.974 2.893 3.054 0.004 19 0 "[ . 1 . 2]" 3
31 1 27 ILE O 1 40 HIS H 1.960 . 2.120 2.149 2.100 2.193 0.073 6 0 "[ . 1 . 2]" 3
32 1 27 ILE O 1 40 HIS N 2.910 2.770 3.050 3.051 2.995 3.075 0.025 15 0 "[ . 1 . 2]" 3
33 1 41 ILE H 1 47 ARG O 1.960 . 2.120 1.866 1.774 2.102 0.026 5 0 "[ . 1 . 2]" 3
34 1 41 ILE N 1 47 ARG O 2.910 2.770 3.050 2.823 2.734 3.080 0.036 5 0 "[ . 1 . 2]" 3
35 1 25 VAL O 1 42 GLU H 1.960 . 2.120 1.796 1.758 1.908 0.042 13 0 "[ . 1 . 2]" 3
36 1 25 VAL O 1 42 GLU N 2.910 2.770 3.050 2.762 2.680 2.876 0.090 19 0 "[ . 1 . 2]" 3
37 1 39 GLY O 1 49 GLY H 1.960 . 2.120 2.025 1.961 2.118 . 0 0 "[ . 1 . 2]" 3
38 1 39 GLY O 1 49 GLY N 2.910 2.770 3.050 2.934 2.876 3.014 . 0 0 "[ . 1 . 2]" 3
39 1 37 TRP O 1 51 PHE H 1.960 . 2.120 1.850 1.812 1.912 . 0 0 "[ . 1 . 2]" 3
40 1 37 TRP O 1 51 PHE N 2.910 2.770 3.050 2.785 2.751 2.839 0.019 20 0 "[ . 1 . 2]" 3
41 1 35 GLU O 1 53 VAL H 1.960 . 2.120 1.931 1.801 2.118 . 0 0 "[ . 1 . 2]" 3
42 1 35 GLU O 1 53 VAL N 2.910 2.770 3.050 2.870 2.738 3.045 0.032 4 0 "[ . 1 . 2]" 3
43 1 52 PRO O 1 55 PHE H 2.130 . 2.280 2.095 2.007 2.282 0.002 1 0 "[ . 1 . 2]" 3
44 1 52 PRO O 1 55 PHE N 3.060 2.940 3.180 3.005 2.920 3.168 0.020 18 0 "[ . 1 . 2]" 3
45 1 53 VAL O 1 56 VAL H 2.130 . 2.280 2.236 2.143 2.291 0.011 19 0 "[ . 1 . 2]" 3
46 1 53 VAL O 1 56 VAL N 3.060 2.940 3.180 3.187 3.096 3.237 0.057 19 0 "[ . 1 . 2]" 3
47 1 5 LYS O 1 57 HIS H 1.960 . 2.120 1.822 1.726 2.127 0.074 19 0 "[ . 1 . 2]" 3
48 1 5 LYS O 1 57 HIS N 2.910 2.770 3.050 2.719 2.671 2.859 0.099 17 0 "[ . 1 . 2]" 3
49 1 3 ARG O 1 59 LEU H 1.960 . 2.120 1.776 1.721 1.920 0.079 12 0 "[ . 1 . 2]" 3
50 1 3 ARG O 1 59 LEU N 2.910 2.770 3.050 2.748 2.687 2.901 0.083 12 0 "[ . 1 . 2]" 3
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