NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
615899 |
5b7x   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5b7x
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 740
_Distance_constraint_stats_list.Viol_count 1801
_Distance_constraint_stats_list.Viol_total 3876.861
_Distance_constraint_stats_list.Viol_max 1.012
_Distance_constraint_stats_list.Viol_rms 0.0638
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0131
_Distance_constraint_stats_list.Viol_average_violations_only 0.1076
_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 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLU 3.693 0.629 5 1 "[ + 1 . 2]"
1 5 ILE 4.850 0.629 5 2 "[ + 1 . -]"
1 6 GLU 1.649 0.559 20 1 "[ . 1 . +]"
1 7 ALA 0.619 0.155 1 0 "[ . 1 . 2]"
1 8 PRO 0.023 0.015 8 0 "[ . 1 . 2]"
1 9 ASN 1.104 0.107 16 0 "[ . 1 . 2]"
1 10 ALA 1.081 0.107 16 0 "[ . 1 . 2]"
1 11 ASN 0.284 0.043 13 0 "[ . 1 . 2]"
1 12 THR 1.353 0.130 3 0 "[ . 1 . 2]"
1 13 GLN 2.197 0.141 16 0 "[ . 1 . 2]"
1 14 LYS 0.932 0.235 13 0 "[ . 1 . 2]"
1 15 ILE 0.378 0.076 7 0 "[ . 1 . 2]"
1 16 ARG 1.309 0.113 16 0 "[ . 1 . 2]"
1 17 ASP 0.993 0.113 16 0 "[ . 1 . 2]"
1 18 CYS 1.616 0.103 12 0 "[ . 1 . 2]"
1 19 PHE 0.880 0.135 13 0 "[ . 1 . 2]"
1 20 ASN 3.120 0.208 18 0 "[ . 1 . 2]"
1 21 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 TYR 1.602 0.091 9 0 "[ . 1 . 2]"
1 23 ASP 1.493 0.091 9 0 "[ . 1 . 2]"
1 24 ARG 0.489 0.179 8 0 "[ . 1 . 2]"
1 25 ASP 2.725 0.208 11 0 "[ . 1 . 2]"
1 26 TYR 6.181 0.254 12 0 "[ . 1 . 2]"
1 27 ASP 2.251 0.176 8 0 "[ . 1 . 2]"
1 28 GLY 8.030 0.254 12 0 "[ . 1 . 2]"
1 29 LYS 3.326 0.287 5 0 "[ . 1 . 2]"
1 30 ILE 0.777 0.133 7 0 "[ . 1 . 2]"
1 31 ASP 2.917 0.217 13 0 "[ . 1 . 2]"
1 32 VAL 0.361 0.074 20 0 "[ . 1 . 2]"
1 33 LYS 1.039 0.427 14 0 "[ . 1 . 2]"
1 34 GLN 4.836 0.249 19 0 "[ . 1 . 2]"
1 35 LEU 7.897 0.254 14 0 "[ . 1 . 2]"
1 36 GLY 3.116 0.254 14 0 "[ . 1 . 2]"
1 37 THR 3.966 0.217 3 0 "[ . 1 . 2]"
1 38 LEU 5.735 0.579 11 1 "[ . 1+ . 2]"
1 39 ILE 0.678 0.579 11 1 "[ . 1+ . 2]"
1 40 ARG 1.774 0.235 6 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 2.760 0.211 20 0 "[ . 1 . 2]"
1 43 GLY 2.155 0.142 16 0 "[ . 1 . 2]"
1 44 CYS 3.792 0.177 16 0 "[ . 1 . 2]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 PRO 1.557 0.238 18 0 "[ . 1 . 2]"
1 47 THR 5.663 0.305 20 0 "[ . 1 . 2]"
1 48 GLU 0.032 0.015 10 0 "[ . 1 . 2]"
1 49 ASP 3.605 0.305 20 0 "[ . 1 . 2]"
1 50 GLU 0.738 0.146 13 0 "[ . 1 . 2]"
1 51 VAL 0.224 0.031 2 0 "[ . 1 . 2]"
1 52 ASN 1.115 0.101 12 0 "[ . 1 . 2]"
1 53 SER 0.349 0.052 9 0 "[ . 1 . 2]"
1 54 TYR 1.355 0.118 14 0 "[ . 1 . 2]"
1 55 ILE 4.170 0.214 7 0 "[ . 1 . 2]"
1 56 LYS 3.621 0.214 7 0 "[ . 1 . 2]"
1 57 GLU 0.025 0.022 6 0 "[ . 1 . 2]"
1 58 PHE 1.287 0.116 15 0 "[ . 1 . 2]"
1 59 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ILE 5.079 0.503 17 1 "[ . 1 . + 2]"
1 61 GLU 2.666 0.503 17 1 "[ . 1 . + 2]"
1 62 GLY 0.712 0.161 11 0 "[ . 1 . 2]"
1 63 GLU 4.555 0.170 20 0 "[ . 1 . 2]"
1 64 THR 9.057 0.217 13 0 "[ . 1 . 2]"
1 65 PHE 6.955 0.405 18 0 "[ . 1 . 2]"
1 66 GLN 15.876 0.781 19 7 "[ * . 1- **.** +2]"
1 67 ILE 1.760 0.124 12 0 "[ . 1 . 2]"
1 68 GLU 0.220 0.051 11 0 "[ . 1 . 2]"
1 69 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLU 0.461 0.147 19 0 "[ . 1 . 2]"
1 72 LEU 3.602 0.208 18 0 "[ . 1 . 2]"
1 73 ILE 1.094 0.128 3 0 "[ . 1 . 2]"
1 74 MET 0.638 0.109 18 0 "[ . 1 . 2]"
1 75 GLU 2.076 0.182 2 0 "[ . 1 . 2]"
1 76 ARG 1.612 0.153 15 0 "[ . 1 . 2]"
1 77 GLU 2.442 0.182 2 0 "[ . 1 . 2]"
1 78 GLN 3.649 0.190 2 0 "[ . 1 . 2]"
1 79 SER 0.713 0.086 16 0 "[ . 1 . 2]"
1 80 LYS 3.578 0.465 10 0 "[ . 1 . 2]"
1 82 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ARG 0.011 0.005 11 0 "[ . 1 . 2]"
1 85 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LEU 1.946 0.165 5 0 "[ . 1 . 2]"
1 89 ARG 18.247 1.012 13 20 [********-***+*******]
1 91 ALA 19.308 0.990 1 20 [+************-******]
1 92 PHE 5.788 0.382 14 0 "[ . 1 . 2]"
1 93 GLU 0.131 0.131 17 0 "[ . 1 . 2]"
1 94 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 PHE 6.712 0.382 14 0 "[ . 1 . 2]"
1 96 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ASP 0.363 0.050 18 0 "[ . 1 . 2]"
1 101 GLY 18.247 1.012 13 20 [********-***+*******]
1 102 LYS 0.821 0.086 12 0 "[ . 1 . 2]"
1 103 ILE 0.517 0.137 17 0 "[ . 1 . 2]"
1 104 LYS 0.232 0.029 19 0 "[ . 1 . 2]"
1 105 ALA 0.624 0.059 8 0 "[ . 1 . 2]"
1 106 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ASP 0.009 0.009 13 0 "[ . 1 . 2]"
1 108 LEU 1.663 0.180 7 0 "[ . 1 . 2]"
1 109 ALA 0.709 0.134 20 0 "[ . 1 . 2]"
1 110 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 ASN 1.127 0.153 13 0 "[ . 1 . 2]"
1 112 LEU 0.258 0.074 7 0 "[ . 1 . 2]"
1 113 THR 2.035 0.169 19 0 "[ . 1 . 2]"
1 114 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 VAL 18.324 0.990 1 20 [+************-******]
1 116 GLY 1.777 0.169 19 0 "[ . 1 . 2]"
1 117 ASP 1.880 0.166 10 0 "[ . 1 . 2]"
1 118 LYS 1.882 0.166 10 0 "[ . 1 . 2]"
1 119 MET 0.709 0.134 20 0 "[ . 1 . 2]"
1 120 THR 6.339 0.321 4 0 "[ . 1 . 2]"
1 121 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 GLU 6.339 0.321 4 0 "[ . 1 . 2]"
1 123 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 VAL 1.654 0.180 7 0 "[ . 1 . 2]"
1 125 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 LYS 10.437 0.579 6 1 "[ .+ 1 . 2]"
1 127 VAL 0.104 0.104 6 0 "[ . 1 . 2]"
1 128 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 SER 10.437 0.579 6 1 "[ .+ 1 . 2]"
1 130 ILE 4.448 0.443 15 0 "[ . 1 . 2]"
1 131 LEU 1.180 0.223 19 0 "[ . 1 . 2]"
1 132 GLY 1.795 0.176 6 0 "[ . 1 . 2]"
1 133 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 THR 1.858 0.176 6 0 "[ . 1 . 2]"
1 135 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 SER 0.531 0.055 4 0 "[ . 1 . 2]"
1 138 ASP 0.290 0.029 19 0 "[ . 1 . 2]"
1 139 ILE 0.226 0.195 19 0 "[ . 1 . 2]"
1 140 ASP 4.203 0.292 19 0 "[ . 1 . 2]"
1 141 LEU 0.478 0.076 6 0 "[ . 1 . 2]"
1 142 ALA 0.955 0.064 19 0 "[ . 1 . 2]"
1 143 THR 5.627 0.292 19 0 "[ . 1 . 2]"
1 144 PHE 1.654 0.149 11 0 "[ . 1 . 2]"
1 145 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 LYS 5.181 0.443 15 0 "[ . 1 . 2]"
1 147 LEU 1.951 0.178 8 0 "[ . 1 . 2]"
1 148 VAL 1.951 0.178 8 0 "[ . 1 . 2]"
1 149 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 150 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 2 SER H 1 2 SER QB . . 3.700 2.847 2.150 3.456 . 0 0 "[ . 1 . 2]" 1
2 1 4 GLU H 1 4 GLU HB2 . . 3.700 3.051 2.316 3.728 0.028 5 0 "[ . 1 . 2]" 1
3 1 4 GLU H 1 4 GLU HB3 . . 3.700 3.383 2.752 3.892 0.192 5 0 "[ . 1 . 2]" 1
4 1 4 GLU H 1 5 ILE H . . 4.000 3.748 1.940 4.629 0.629 5 1 "[ + 1 . 2]" 1
5 1 5 ILE H 1 5 ILE HB . . 4.000 3.151 2.433 3.891 . 0 0 "[ . 1 . 2]" 1
6 1 5 ILE H 1 5 ILE QG . . 4.000 2.964 2.055 4.062 0.062 9 0 "[ . 1 . 2]" 1
7 1 5 ILE H 1 5 ILE MG . . 4.000 3.549 2.026 3.987 . 0 0 "[ . 1 . 2]" 1
8 1 5 ILE H 1 5 ILE MD . . 4.000 3.258 1.991 4.240 0.240 9 0 "[ . 1 . 2]" 1
9 1 5 ILE H 1 6 GLU H . . 3.800 3.159 1.917 3.839 0.039 9 0 "[ . 1 . 2]" 1
10 1 5 ILE HA 1 6 GLU H . . 3.800 2.721 2.169 3.571 . 0 0 "[ . 1 . 2]" 1
11 1 6 GLU H 1 6 GLU HB2 . . 3.800 2.988 2.066 3.767 . 0 0 "[ . 1 . 2]" 1
12 1 6 GLU H 1 6 GLU HB3 . . 4.000 3.330 2.683 4.007 0.007 14 0 "[ . 1 . 2]" 1
13 1 7 ALA H 1 7 ALA MB . . 3.400 2.772 2.026 2.908 . 0 0 "[ . 1 . 2]" 1
14 1 6 GLU HA 1 7 ALA H . . 3.400 2.533 2.169 3.555 0.155 1 0 "[ . 1 . 2]" 1
15 1 6 GLU HB2 1 7 ALA H . . 4.000 3.320 1.994 4.103 0.103 9 0 "[ . 1 . 2]" 1
16 1 6 GLU HB3 1 7 ALA H . . 4.000 3.240 2.246 4.100 0.100 9 0 "[ . 1 . 2]" 1
17 1 9 ASN H 1 9 ASN QB . . 3.800 2.381 2.148 2.877 . 0 0 "[ . 1 . 2]" 1
18 1 8 PRO HA 1 9 ASN H . . 4.000 2.629 2.154 3.567 . 0 0 "[ . 1 . 2]" 1
19 1 8 PRO HB2 1 9 ASN H . . 4.000 3.181 2.435 3.537 . 0 0 "[ . 1 . 2]" 1
20 1 8 PRO HB3 1 9 ASN H . . 4.000 3.868 3.366 4.015 0.015 8 0 "[ . 1 . 2]" 1
21 1 9 ASN HA 1 10 ALA H . . 3.400 3.338 3.140 3.507 0.107 16 0 "[ . 1 . 2]" 1
22 1 9 ASN QB 1 10 ALA H . . 3.800 3.243 2.717 3.611 . 0 0 "[ . 1 . 2]" 1
23 1 10 ALA HA 1 11 ASN H . . 3.800 3.543 3.487 3.573 . 0 0 "[ . 1 . 2]" 1
24 1 11 ASN H 1 11 ASN QB . . 3.800 2.402 2.059 2.697 . 0 0 "[ . 1 . 2]" 1
25 1 10 ALA MB 1 11 ASN H . . 3.800 2.509 2.100 2.863 . 0 0 "[ . 1 . 2]" 1
26 1 11 ASN H 1 12 THR H . . 3.800 2.646 2.326 2.987 . 0 0 "[ . 1 . 2]" 1
27 1 12 THR H 1 12 THR HB . . 3.500 2.850 2.375 3.619 0.119 7 0 "[ . 1 . 2]" 1
28 1 12 THR H 1 12 THR MG . . 3.900 3.197 1.963 3.769 . 0 0 "[ . 1 . 2]" 1
29 1 11 ASN HA 1 12 THR H . . 3.800 3.536 3.471 3.569 . 0 0 "[ . 1 . 2]" 1
30 1 11 ASN QB 1 12 THR H . . 3.800 2.587 2.184 3.378 . 0 0 "[ . 1 . 2]" 1
31 1 13 GLN H 1 13 GLN QG . . 3.800 3.507 2.152 3.941 0.141 16 0 "[ . 1 . 2]" 1
32 1 13 GLN H 1 13 GLN QB . . 3.300 2.279 2.190 2.695 . 0 0 "[ . 1 . 2]" 1
33 1 12 THR HB 1 13 GLN H . . 3.800 3.166 2.695 3.930 0.130 3 0 "[ . 1 . 2]" 1
34 1 12 THR MG 1 13 GLN H . . 4.000 3.544 1.946 4.009 0.009 7 0 "[ . 1 . 2]" 1
35 1 11 ASN HA 1 13 GLN H . . 4.000 3.999 3.804 4.043 0.043 13 0 "[ . 1 . 2]" 1
36 1 13 GLN H 1 14 LYS H . . 3.400 2.476 2.310 2.868 . 0 0 "[ . 1 . 2]" 1
37 1 14 LYS H 1 14 LYS HA . . 3.000 2.789 2.752 2.877 . 0 0 "[ . 1 . 2]" 1
38 1 13 GLN HA 1 14 LYS H . . 3.700 3.516 3.470 3.556 . 0 0 "[ . 1 . 2]" 1
39 1 14 LYS H 1 14 LYS QB . . 3.600 2.381 2.068 2.614 . 0 0 "[ . 1 . 2]" 1
40 1 14 LYS H 1 14 LYS QG . . 3.800 2.678 1.939 4.035 0.235 13 0 "[ . 1 . 2]" 1
41 1 14 LYS H 1 14 LYS QD . . 4.000 3.864 3.349 4.054 0.054 13 0 "[ . 1 . 2]" 1
42 1 13 GLN QB 1 14 LYS H . . 4.000 2.854 2.449 3.559 . 0 0 "[ . 1 . 2]" 1
43 1 13 GLN QG 1 14 LYS H . . 4.000 3.203 2.004 4.047 0.047 7 0 "[ . 1 . 2]" 1
44 1 14 LYS HA 1 15 ILE H . . 3.800 3.535 3.431 3.570 . 0 0 "[ . 1 . 2]" 1
45 1 14 LYS QB 1 15 ILE H . . 4.000 2.531 2.178 3.383 . 0 0 "[ . 1 . 2]" 1
46 1 14 LYS QG 1 15 ILE H . . 4.000 3.870 2.166 4.065 0.065 10 0 "[ . 1 . 2]" 1
47 1 15 ILE H 1 15 ILE HB . . 4.000 3.162 2.554 3.617 . 0 0 "[ . 1 . 2]" 1
48 1 15 ILE H 1 15 ILE MD . . 4.000 3.624 2.725 4.076 0.076 7 0 "[ . 1 . 2]" 1
49 1 15 ILE H 1 16 ARG H . . 4.000 2.852 2.578 3.057 . 0 0 "[ . 1 . 2]" 1
50 1 13 GLN HA 1 16 ARG H . . 4.000 3.662 3.381 4.059 0.059 16 0 "[ . 1 . 2]" 1
51 1 16 ARG H 1 16 ARG HB2 . . 4.000 2.822 2.148 3.616 . 0 0 "[ . 1 . 2]" 1
52 1 16 ARG H 1 16 ARG HB3 . . 4.000 3.212 2.448 3.608 . 0 0 "[ . 1 . 2]" 1
53 1 16 ARG H 1 16 ARG QG . . 4.000 2.302 2.022 4.022 0.022 7 0 "[ . 1 . 2]" 1
54 1 16 ARG H 1 16 ARG HD2 . . 4.000 3.938 3.694 4.069 0.069 3 0 "[ . 1 . 2]" 1
55 1 16 ARG H 1 16 ARG HD3 . . 4.000 3.976 3.661 4.041 0.041 4 0 "[ . 1 . 2]" 1
56 1 16 ARG H 1 17 ASP H . . 3.800 2.602 2.445 2.772 . 0 0 "[ . 1 . 2]" 1
57 1 16 ARG HA 1 17 ASP H . . 3.800 3.526 3.511 3.565 . 0 0 "[ . 1 . 2]" 1
58 1 17 ASP H 1 17 ASP HB2 . . 3.400 2.268 2.071 2.734 . 0 0 "[ . 1 . 2]" 1
59 1 17 ASP H 1 17 ASP HB3 . . 3.400 2.971 2.347 3.467 0.067 16 0 "[ . 1 . 2]" 1
60 1 16 ARG HB2 1 17 ASP H . . 3.800 3.084 2.579 3.866 0.066 18 0 "[ . 1 . 2]" 1
61 1 16 ARG HB3 1 17 ASP H . . 3.800 3.673 2.385 3.913 0.113 16 0 "[ . 1 . 2]" 1
62 1 16 ARG QG 1 17 ASP H . . 4.000 3.426 1.927 4.040 0.040 7 0 "[ . 1 . 2]" 1
63 1 17 ASP H 1 18 CYS H . . 4.000 2.832 2.600 3.012 . 0 0 "[ . 1 . 2]" 1
64 1 17 ASP HA 1 18 CYS H . . 4.000 3.565 3.541 3.571 . 0 0 "[ . 1 . 2]" 1
65 1 18 CYS H 1 18 CYS HB2 . . 3.800 2.535 2.388 2.656 . 0 0 "[ . 1 . 2]" 1
66 1 18 CYS H 1 18 CYS HB3 . . 3.800 3.590 3.578 3.599 . 0 0 "[ . 1 . 2]" 1
67 1 17 ASP HB2 1 18 CYS H . . 4.000 3.283 2.603 3.817 . 0 0 "[ . 1 . 2]" 1
68 1 17 ASP HB3 1 18 CYS H . . 4.000 2.474 2.139 2.912 . 0 0 "[ . 1 . 2]" 1
69 1 18 CYS H 1 19 PHE H . . 4.000 2.634 2.544 2.835 . 0 0 "[ . 1 . 2]" 1
70 1 19 PHE H 1 19 PHE HD1 . . 4.500 4.516 4.364 4.635 0.135 13 0 "[ . 1 . 2]" 1
71 1 18 CYS HA 1 19 PHE H . . 4.000 3.527 3.502 3.560 . 0 0 "[ . 1 . 2]" 1
72 1 19 PHE H 1 19 PHE HB2 . . 3.800 2.585 2.179 2.759 . 0 0 "[ . 1 . 2]" 1
73 1 19 PHE H 1 19 PHE HB3 . . 3.800 2.487 2.328 2.953 . 0 0 "[ . 1 . 2]" 1
74 1 19 PHE H 1 20 ASN H . . 3.400 2.959 2.821 3.038 . 0 0 "[ . 1 . 2]" 1
75 1 19 PHE HD1 1 20 ASN H . . 5.000 3.730 2.329 5.106 0.106 5 0 "[ . 1 . 2]" 1
76 1 18 CYS HA 1 20 ASN H . . 5.000 5.032 4.890 5.103 0.103 12 0 "[ . 1 . 2]" 1
77 1 16 ARG HA 1 20 ASN H . . 3.800 3.515 3.020 3.809 0.009 12 0 "[ . 1 . 2]" 1
78 1 19 PHE HA 1 20 ASN H . . 4.000 3.569 3.568 3.571 . 0 0 "[ . 1 . 2]" 1
79 1 19 PHE HB2 1 20 ASN H . . 5.000 3.640 3.263 3.784 . 0 0 "[ . 1 . 2]" 1
80 1 19 PHE HB3 1 20 ASN H . . 3.800 2.173 2.014 2.339 . 0 0 "[ . 1 . 2]" 1
81 1 20 ASN H 1 20 ASN QB . . 3.400 2.132 2.048 2.253 . 0 0 "[ . 1 . 2]" 1
82 1 20 ASN H 1 21 PHE H . . 4.000 2.642 2.563 2.713 . 0 0 "[ . 1 . 2]" 1
83 1 21 PHE H 1 21 PHE HD1 . . 4.000 3.648 3.138 3.971 . 0 0 "[ . 1 . 2]" 1
84 1 21 PHE H 1 21 PHE QB . . 3.800 2.057 2.044 2.094 . 0 0 "[ . 1 . 2]" 1
85 1 20 ASN QB 1 21 PHE H . . 4.000 3.009 2.901 3.095 . 0 0 "[ . 1 . 2]" 1
86 1 21 PHE H 1 22 TYR H . . 3.800 2.949 2.877 3.017 . 0 0 "[ . 1 . 2]" 1
87 1 22 TYR H 1 22 TYR QE . . 5.000 4.052 3.952 4.190 . 0 0 "[ . 1 . 2]" 1
88 1 22 TYR H 1 22 TYR QD . . 4.000 2.686 2.441 2.886 . 0 0 "[ . 1 . 2]" 1
89 1 21 PHE HA 1 22 TYR H . . 3.800 3.567 3.562 3.570 . 0 0 "[ . 1 . 2]" 1
90 1 21 PHE QB 1 22 TYR H . . 3.800 2.344 2.206 2.477 . 0 0 "[ . 1 . 2]" 1
91 1 22 TYR H 1 22 TYR HB2 . . 4.000 3.626 3.591 3.650 . 0 0 "[ . 1 . 2]" 1
92 1 22 TYR H 1 22 TYR HB3 . . 4.000 2.825 2.637 2.974 . 0 0 "[ . 1 . 2]" 1
93 1 22 TYR H 1 23 ASP H . . 3.800 2.251 2.222 2.284 . 0 0 "[ . 1 . 2]" 1
94 1 22 TYR QE 1 23 ASP H . . 4.000 3.971 3.830 4.033 0.033 14 0 "[ . 1 . 2]" 1
95 1 20 ASN HA 1 23 ASP H . . 3.800 3.238 3.063 3.406 . 0 0 "[ . 1 . 2]" 1
96 1 22 TYR HA 1 23 ASP H . . 3.400 3.465 3.432 3.491 0.091 9 0 "[ . 1 . 2]" 1
97 1 19 PHE HA 1 23 ASP H . . 5.000 4.292 4.042 4.535 . 0 0 "[ . 1 . 2]" 1
98 1 22 TYR HB2 1 23 ASP H . . 5.000 3.912 3.771 3.992 . 0 0 "[ . 1 . 2]" 1
99 1 23 ASP H 1 23 ASP QB . . 3.400 2.187 2.089 2.249 . 0 0 "[ . 1 . 2]" 1
100 1 22 TYR HB3 1 23 ASP H . . 4.200 4.114 3.933 4.217 0.017 15 0 "[ . 1 . 2]" 1
101 1 23 ASP H 1 24 ARG H . . 4.300 2.557 2.526 2.587 . 0 0 "[ . 1 . 2]" 1
102 1 23 ASP HA 1 24 ARG H . . 3.400 3.242 3.222 3.258 . 0 0 "[ . 1 . 2]" 1
103 1 22 TYR HA 1 24 ARG H . . 4.000 3.463 3.387 3.507 . 0 0 "[ . 1 . 2]" 1
104 1 24 ARG H 1 24 ARG QD . . 4.000 3.463 1.872 3.957 . 0 0 "[ . 1 . 2]" 1
105 1 23 ASP QB 1 24 ARG H . . 4.000 3.428 3.404 3.457 . 0 0 "[ . 1 . 2]" 1
106 1 24 ARG H 1 24 ARG QB . . 3.800 2.474 2.243 2.595 . 0 0 "[ . 1 . 2]" 1
107 1 24 ARG H 1 24 ARG HG2 . . 3.800 2.383 1.944 3.725 . 0 0 "[ . 1 . 2]" 1
108 1 24 ARG H 1 24 ARG HG3 . . 3.800 3.354 2.272 3.979 0.179 8 0 "[ . 1 . 2]" 1
109 1 24 ARG H 1 25 ASP H . . 3.400 2.801 2.772 2.822 . 0 0 "[ . 1 . 2]" 1
110 1 24 ARG HA 1 25 ASP H . . 4.000 3.475 3.459 3.487 . 0 0 "[ . 1 . 2]" 1
111 1 25 ASP H 1 25 ASP HB2 . . 4.000 3.583 3.566 3.594 . 0 0 "[ . 1 . 2]" 1
112 1 25 ASP H 1 25 ASP HB3 . . 4.000 2.670 2.456 2.777 . 0 0 "[ . 1 . 2]" 1
113 1 24 ARG QB 1 25 ASP H . . 4.000 3.542 3.501 3.594 . 0 0 "[ . 1 . 2]" 1
114 1 24 ARG HG2 1 25 ASP H . . 4.000 2.891 2.549 3.969 . 0 0 "[ . 1 . 2]" 1
115 1 25 ASP H 1 26 TYR H . . 4.000 2.793 2.723 2.844 . 0 0 "[ . 1 . 2]" 1
116 1 25 ASP HA 1 26 TYR H . . 3.800 3.488 3.450 3.504 . 0 0 "[ . 1 . 2]" 1
117 1 24 ARG HA 1 26 TYR H . . 4.000 3.692 3.552 3.793 . 0 0 "[ . 1 . 2]" 1
118 1 26 TYR H 1 26 TYR QB . . 3.800 3.076 3.024 3.427 . 0 0 "[ . 1 . 2]" 1
119 1 25 ASP HB2 1 26 TYR H . . 4.000 3.736 3.629 4.019 0.019 4 0 "[ . 1 . 2]" 1
120 1 25 ASP HB3 1 26 TYR H . . 4.000 4.135 4.057 4.208 0.208 11 0 "[ . 1 . 2]" 1
121 1 26 TYR H 1 27 ASP H . . 3.800 2.511 2.479 2.573 . 0 0 "[ . 1 . 2]" 1
122 1 26 TYR HA 1 27 ASP H . . 3.800 2.870 2.733 2.932 . 0 0 "[ . 1 . 2]" 1
123 1 27 ASP H 1 27 ASP HB2 . . 3.800 3.619 3.596 3.677 . 0 0 "[ . 1 . 2]" 1
124 1 27 ASP H 1 27 ASP HB3 . . 3.800 2.661 2.557 2.828 . 0 0 "[ . 1 . 2]" 1
125 1 28 GLY H 1 29 LYS H . . 4.000 2.591 2.424 2.670 . 0 0 "[ . 1 . 2]" 1
126 1 27 ASP H 1 28 GLY H . . 4.000 2.399 2.142 2.581 . 0 0 "[ . 1 . 2]" 1
127 1 26 TYR H 1 28 GLY H . . 4.000 4.173 4.108 4.254 0.254 12 0 "[ . 1 . 2]" 1
128 1 28 GLY H 1 28 GLY HA2 . . 2.800 2.338 2.317 2.356 . 0 0 "[ . 1 . 2]" 1
129 1 28 GLY H 1 28 GLY HA3 . . 2.800 2.905 2.881 2.922 0.122 18 0 "[ . 1 . 2]" 1
130 1 27 ASP HA 1 28 GLY H . . 3.800 3.459 3.440 3.491 . 0 0 "[ . 1 . 2]" 1
131 1 27 ASP HB2 1 28 GLY H . . 4.000 4.007 3.926 4.041 0.041 16 0 "[ . 1 . 2]" 1
132 1 27 ASP HB3 1 28 GLY H . . 4.000 4.098 4.016 4.176 0.176 8 0 "[ . 1 . 2]" 1
133 1 28 GLY HA2 1 29 LYS H . . 3.400 3.307 3.006 3.380 . 0 0 "[ . 1 . 2]" 1
134 1 28 GLY HA3 1 29 LYS H . . 3.400 3.222 3.157 3.471 0.071 15 0 "[ . 1 . 2]" 1
135 1 29 LYS H 1 29 LYS HB2 . . 4.000 3.515 2.309 3.972 . 0 0 "[ . 1 . 2]" 1
136 1 29 LYS H 1 29 LYS HB3 . . 3.400 3.347 3.107 3.616 0.216 4 0 "[ . 1 . 2]" 1
137 1 29 LYS H 1 29 LYS QG . . 4.000 2.360 1.905 3.696 . 0 0 "[ . 1 . 2]" 1
138 1 29 LYS H 1 29 LYS HD3 . . 4.000 3.812 3.216 4.041 0.041 13 0 "[ . 1 . 2]" 1
139 1 29 LYS H 1 29 LYS HD2 . . 4.000 3.722 2.871 4.037 0.037 8 0 "[ . 1 . 2]" 1
140 1 29 LYS HA 1 30 ILE H . . 2.800 2.424 2.316 2.577 . 0 0 "[ . 1 . 2]" 1
141 1 30 ILE H 1 30 ILE HB . . 3.800 3.084 2.759 3.783 . 0 0 "[ . 1 . 2]" 1
142 1 30 ILE HA 1 31 ASP H . . 2.800 2.233 2.139 2.335 . 0 0 "[ . 1 . 2]" 1
143 1 31 ASP H 1 31 ASP QB . . 3.800 2.788 2.351 3.089 . 0 0 "[ . 1 . 2]" 1
144 1 31 ASP H 1 32 VAL H . . 6.000 4.426 4.371 4.511 . 0 0 "[ . 1 . 2]" 1
145 1 31 ASP HA 1 32 VAL H . . 3.000 2.596 2.230 2.719 . 0 0 "[ . 1 . 2]" 1
146 1 32 VAL H 1 32 VAL HB . . 4.000 2.860 2.530 3.637 . 0 0 "[ . 1 . 2]" 1
147 1 32 VAL H 1 33 LYS H . . 3.800 2.507 2.404 2.788 . 0 0 "[ . 1 . 2]" 1
148 1 33 LYS H 1 33 LYS QZ . . 4.000 3.830 3.330 4.039 0.039 17 0 "[ . 1 . 2]" 1
149 1 33 LYS H 1 33 LYS QB . . 3.800 2.500 2.043 2.698 . 0 0 "[ . 1 . 2]" 1
150 1 33 LYS H 1 33 LYS QG . . 3.800 2.552 1.907 4.035 0.235 3 0 "[ . 1 . 2]" 1
151 1 33 LYS H 1 33 LYS QD . . 3.800 2.738 1.945 4.227 0.427 14 0 "[ . 1 . 2]" 1
152 1 33 LYS H 1 34 GLN H . . 3.800 2.507 2.267 2.890 . 0 0 "[ . 1 . 2]" 1
153 1 34 GLN H 1 34 GLN QE . . 3.800 3.334 2.253 4.003 0.203 5 0 "[ . 1 . 2]" 1
154 1 33 LYS HA 1 34 GLN H . . 3.800 3.536 3.505 3.558 . 0 0 "[ . 1 . 2]" 1
155 1 34 GLN H 1 34 GLN HB2 . . 3.400 2.199 2.064 2.686 . 0 0 "[ . 1 . 2]" 1
156 1 34 GLN H 1 34 GLN HB3 . . 3.400 3.329 2.371 3.512 0.112 14 0 "[ . 1 . 2]" 1
157 1 33 LYS QB 1 34 GLN H . . 4.000 2.879 2.398 3.467 . 0 0 "[ . 1 . 2]" 1
158 1 33 LYS QD 1 34 GLN H . . 4.000 3.730 3.045 4.170 0.170 14 0 "[ . 1 . 2]" 1
159 1 35 LEU H 1 36 GLY H . . 3.800 2.757 2.507 2.885 . 0 0 "[ . 1 . 2]" 1
160 1 34 GLN H 1 35 LEU H . . 4.000 2.687 2.495 2.818 . 0 0 "[ . 1 . 2]" 1
161 1 34 GLN QE 1 35 LEU H . . 4.300 4.437 4.326 4.549 0.249 19 0 "[ . 1 . 2]" 1
162 1 34 GLN HB2 1 35 LEU H . . 4.000 3.065 2.772 3.996 . 0 0 "[ . 1 . 2]" 1
163 1 34 GLN HB3 1 35 LEU H . . 4.000 3.155 2.608 3.586 . 0 0 "[ . 1 . 2]" 1
164 1 35 LEU H 1 35 LEU HB2 . . 3.800 3.325 2.936 3.602 . 0 0 "[ . 1 . 2]" 1
165 1 35 LEU H 1 35 LEU HB3 . . 3.800 2.287 2.119 2.670 . 0 0 "[ . 1 . 2]" 1
166 1 35 LEU H 1 35 LEU HG . . 4.000 3.144 2.059 4.106 0.106 4 0 "[ . 1 . 2]" 1
167 1 35 LEU H 1 35 LEU MD2 . . 4.000 3.508 2.965 4.075 0.075 4 0 "[ . 1 . 2]" 1
168 1 35 LEU H 1 35 LEU MD1 . . 4.300 4.045 3.616 4.297 . 0 0 "[ . 1 . 2]" 1
169 1 34 GLN H 1 36 GLY H . . 5.000 4.296 4.019 4.580 . 0 0 "[ . 1 . 2]" 1
170 1 34 GLN HA 1 36 GLY H . . 5.000 4.354 4.078 4.781 . 0 0 "[ . 1 . 2]" 1
171 1 33 LYS HA 1 36 GLY H . . 4.000 3.601 3.256 3.998 . 0 0 "[ . 1 . 2]" 1
172 1 36 GLY H 1 36 GLY HA2 . . 3.000 2.839 2.763 2.903 . 0 0 "[ . 1 . 2]" 1
173 1 36 GLY H 1 36 GLY HA3 . . 3.000 2.309 2.294 2.334 . 0 0 "[ . 1 . 2]" 1
174 1 35 LEU HB2 1 36 GLY H . . 3.800 3.921 3.619 4.054 0.254 14 0 "[ . 1 . 2]" 1
175 1 35 LEU HB3 1 36 GLY H . . 3.800 3.392 2.624 3.962 0.162 12 0 "[ . 1 . 2]" 1
176 1 35 LEU HG 1 36 GLY H . . 3.800 2.251 1.931 2.723 . 0 0 "[ . 1 . 2]" 1
177 1 35 LEU MD1 1 36 GLY H . . 4.000 3.075 2.270 3.821 . 0 0 "[ . 1 . 2]" 1
178 1 35 LEU MD2 1 36 GLY H . . 4.000 3.772 3.671 3.941 . 0 0 "[ . 1 . 2]" 1
179 1 36 GLY H 1 37 THR H . . 4.000 2.573 2.358 2.792 . 0 0 "[ . 1 . 2]" 1
180 1 37 THR H 1 37 THR HB . . 3.400 2.755 2.516 3.617 0.217 3 0 "[ . 1 . 2]" 1
181 1 36 GLY HA2 1 37 THR H . . 4.000 3.456 3.420 3.490 . 0 0 "[ . 1 . 2]" 1
182 1 36 GLY HA3 1 37 THR H . . 4.000 3.030 2.961 3.095 . 0 0 "[ . 1 . 2]" 1
183 1 37 THR H 1 37 THR MG . . 4.000 3.515 1.898 3.771 . 0 0 "[ . 1 . 2]" 1
184 1 35 LEU HG 1 37 THR H . . 5.000 4.607 4.338 4.785 . 0 0 "[ . 1 . 2]" 1
185 1 35 LEU MD1 1 37 THR H . . 5.000 4.612 4.316 5.018 0.018 14 0 "[ . 1 . 2]" 1
186 1 37 THR HB 1 38 LEU H . . 3.400 2.608 2.182 3.509 0.109 11 0 "[ . 1 . 2]" 1
187 1 37 THR HA 1 38 LEU H . . 3.400 3.553 3.438 3.572 0.172 17 0 "[ . 1 . 2]" 1
188 1 38 LEU H 1 38 LEU HB3 . . 3.800 2.620 2.330 3.582 . 0 0 "[ . 1 . 2]" 1
189 1 38 LEU H 1 38 LEU HB2 . . 3.800 3.524 2.631 3.611 . 0 0 "[ . 1 . 2]" 1
190 1 38 LEU H 1 38 LEU HG . . 3.800 2.374 1.933 3.724 . 0 0 "[ . 1 . 2]" 1
191 1 37 THR MG 1 38 LEU H . . 3.800 3.364 3.020 3.787 . 0 0 "[ . 1 . 2]" 1
192 1 38 LEU H 1 38 LEU MD1 . . 4.000 3.721 2.262 3.975 . 0 0 "[ . 1 . 2]" 1
193 1 38 LEU H 1 38 LEU MD2 . . 3.800 2.705 1.869 3.225 . 0 0 "[ . 1 . 2]" 1
194 1 38 LEU H 1 39 ILE H . . 4.000 2.745 2.441 3.061 . 0 0 "[ . 1 . 2]" 1
195 1 38 LEU HA 1 39 ILE H . . 4.000 3.542 3.518 3.571 . 0 0 "[ . 1 . 2]" 1
196 1 38 LEU HB2 1 39 ILE H . . 4.000 3.478 1.966 3.962 . 0 0 "[ . 1 . 2]" 1
197 1 39 ILE H 1 39 ILE HB . . 4.000 2.902 2.477 3.614 . 0 0 "[ . 1 . 2]" 1
198 1 38 LEU HG 1 39 ILE H . . 4.000 2.054 1.799 4.579 0.579 11 1 "[ . 1+ . 2]" 1
199 1 39 ILE H 1 39 ILE HG12 . . 4.000 2.598 1.942 3.801 . 0 0 "[ . 1 . 2]" 1
200 1 39 ILE H 1 39 ILE MG . . 4.000 3.294 2.056 3.769 . 0 0 "[ . 1 . 2]" 1
201 1 38 LEU MD2 1 39 ILE H . . 4.300 3.625 3.140 3.688 . 0 0 "[ . 1 . 2]" 1
202 1 39 ILE H 1 40 ARG H . . 4.000 2.742 2.555 2.846 . 0 0 "[ . 1 . 2]" 1
203 1 39 ILE HA 1 40 ARG H . . 4.000 3.499 3.448 3.533 . 0 0 "[ . 1 . 2]" 1
204 1 38 LEU HA 1 40 ARG H . . 4.000 4.060 3.983 4.171 0.171 19 0 "[ . 1 . 2]" 1
205 1 40 ARG H 1 40 ARG QD . . 4.000 3.626 2.682 4.021 0.021 11 0 "[ . 1 . 2]" 1
206 1 40 ARG H 1 40 ARG QG . . 3.800 2.964 2.048 4.035 0.235 6 0 "[ . 1 . 2]" 1
207 1 40 ARG H 1 40 ARG QB . . 3.800 2.297 2.124 2.637 . 0 0 "[ . 1 . 2]" 1
208 1 39 ILE HB 1 40 ARG H . . 4.000 3.117 2.638 4.020 0.020 20 0 "[ . 1 . 2]" 1
209 1 39 ILE MG 1 40 ARG H . . 4.000 3.699 3.405 4.014 0.014 19 0 "[ . 1 . 2]" 1
210 1 40 ARG H 1 41 SER H . . 4.000 2.329 2.265 2.525 . 0 0 "[ . 1 . 2]" 1
211 1 40 ARG HA 1 41 SER H . . 4.000 3.476 3.428 3.546 . 0 0 "[ . 1 . 2]" 1
212 1 41 SER H 1 41 SER HB2 . . 4.000 2.466 2.090 2.908 . 0 0 "[ . 1 . 2]" 1
213 1 41 SER H 1 41 SER HB3 . . 4.000 3.165 2.240 3.619 . 0 0 "[ . 1 . 2]" 1
214 1 38 LEU HA 1 41 SER H . . 4.000 3.155 3.006 3.350 . 0 0 "[ . 1 . 2]" 1
215 1 40 ARG QD 1 41 SER H . . 6.000 4.540 3.046 5.197 . 0 0 "[ . 1 . 2]" 1
216 1 40 ARG QB 1 41 SER H . . 4.000 2.957 2.554 3.514 . 0 0 "[ . 1 . 2]" 1
217 1 41 SER H 1 42 LEU H . . 3.800 2.702 2.514 2.902 . 0 0 "[ . 1 . 2]" 1
218 1 41 SER HA 1 42 LEU H . . 4.000 3.554 3.529 3.568 . 0 0 "[ . 1 . 2]" 1
219 1 41 SER HB2 1 42 LEU H . . 4.000 3.017 2.345 3.936 . 0 0 "[ . 1 . 2]" 1
220 1 42 LEU H 1 42 LEU HB2 . . 3.800 3.348 2.516 3.652 . 0 0 "[ . 1 . 2]" 1
221 1 42 LEU H 1 42 LEU HB3 . . 3.800 3.294 2.849 3.737 . 0 0 "[ . 1 . 2]" 1
222 1 42 LEU H 1 42 LEU HG . . 3.800 2.507 1.899 4.011 0.211 20 0 "[ . 1 . 2]" 1
223 1 42 LEU H 1 42 LEU MD1 . . 3.800 3.467 2.754 3.806 0.006 7 0 "[ . 1 . 2]" 1
224 1 42 LEU H 1 42 LEU MD2 . . 3.800 2.194 1.894 2.538 . 0 0 "[ . 1 . 2]" 1
225 1 42 LEU H 1 43 GLY H . . 3.400 2.119 2.010 2.409 . 0 0 "[ . 1 . 2]" 1
226 1 42 LEU HA 1 43 GLY H . . 3.800 3.505 3.489 3.514 . 0 0 "[ . 1 . 2]" 1
227 1 43 GLY H 1 43 GLY HA2 . . 3.000 2.311 2.296 2.364 . 0 0 "[ . 1 . 2]" 1
228 1 43 GLY H 1 43 GLY HA3 . . 3.000 2.857 2.822 2.927 . 0 0 "[ . 1 . 2]" 1
229 1 42 LEU HB2 1 43 GLY H . . 3.800 3.400 2.747 3.726 . 0 0 "[ . 1 . 2]" 1
230 1 42 LEU MD1 1 43 GLY H . . 4.300 3.692 3.244 4.358 0.058 11 0 "[ . 1 . 2]" 1
231 1 42 LEU MD2 1 43 GLY H . . 4.000 3.565 2.964 3.776 . 0 0 "[ . 1 . 2]" 1
232 1 43 GLY H 1 44 CYS H . . 3.400 2.536 2.246 2.650 . 0 0 "[ . 1 . 2]" 1
233 1 42 LEU H 1 44 CYS H . . 4.000 4.078 3.869 4.177 0.177 16 0 "[ . 1 . 2]" 1
234 1 44 CYS H 1 44 CYS QB . . 3.400 2.235 2.047 2.952 . 0 0 "[ . 1 . 2]" 1
235 1 43 GLY HA3 1 44 CYS H . . 3.400 3.498 3.464 3.542 0.142 16 0 "[ . 1 . 2]" 1
236 1 43 GLY HA2 1 44 CYS H . . 3.400 2.937 2.802 3.022 . 0 0 "[ . 1 . 2]" 1
237 1 44 CYS H 1 45 ALA H . . 6.000 4.122 3.116 4.648 . 0 0 "[ . 1 . 2]" 1
238 1 44 CYS HA 1 45 ALA H . . 3.800 2.753 2.143 3.568 . 0 0 "[ . 1 . 2]" 1
239 1 44 CYS QB 1 45 ALA H . . 3.800 2.668 1.977 3.596 . 0 0 "[ . 1 . 2]" 1
240 1 47 THR H 1 50 GLU H . . 4.000 3.868 3.660 4.146 0.146 13 0 "[ . 1 . 2]" 1
241 1 47 THR H 1 48 GLU H . . 5.000 4.441 4.390 4.457 . 0 0 "[ . 1 . 2]" 1
242 1 47 THR H 1 49 ASP H . . 4.300 4.480 4.394 4.605 0.305 20 0 "[ . 1 . 2]" 1
243 1 47 THR H 1 47 THR HB . . 3.400 3.374 3.241 3.402 0.002 13 0 "[ . 1 . 2]" 1
244 1 46 PRO HD2 1 47 THR H . . 4.000 2.809 2.750 3.506 . 0 0 "[ . 1 . 2]" 1
245 1 46 PRO HD3 1 47 THR H . . 4.000 3.899 3.871 4.238 0.238 18 0 "[ . 1 . 2]" 1
246 1 46 PRO HB2 1 47 THR H . . 3.400 2.818 1.942 2.907 . 0 0 "[ . 1 . 2]" 1
247 1 46 PRO HB3 1 47 THR H . . 3.800 3.844 3.371 3.894 0.094 5 0 "[ . 1 . 2]" 1
248 1 46 PRO HG2 1 47 THR H . . 4.000 1.886 1.762 1.928 . 0 0 "[ . 1 . 2]" 1
249 1 46 PRO HG3 1 47 THR H . . 4.000 3.509 3.263 3.549 . 0 0 "[ . 1 . 2]" 1
250 1 47 THR H 1 47 THR MG . . 3.800 3.567 2.254 3.804 0.004 16 0 "[ . 1 . 2]" 1
251 1 47 THR HA 1 48 GLU H . . 4.000 2.326 2.220 2.392 . 0 0 "[ . 1 . 2]" 1
252 1 48 GLU H 1 48 GLU HG3 . . 4.000 3.075 1.963 3.976 . 0 0 "[ . 1 . 2]" 1
253 1 48 GLU H 1 48 GLU HG2 . . 4.000 2.562 1.976 3.908 . 0 0 "[ . 1 . 2]" 1
254 1 47 THR MG 1 48 GLU H . . 4.000 2.755 2.498 3.625 . 0 0 "[ . 1 . 2]" 1
255 1 48 GLU H 1 49 ASP H . . 4.000 2.663 2.645 2.677 . 0 0 "[ . 1 . 2]" 1
256 1 48 GLU HA 1 49 ASP H . . 3.700 3.412 3.398 3.418 . 0 0 "[ . 1 . 2]" 1
257 1 48 GLU QB 1 49 ASP H . . 4.000 3.489 3.033 3.697 . 0 0 "[ . 1 . 2]" 1
258 1 49 ASP H 1 50 GLU H . . 3.400 2.719 2.558 2.856 . 0 0 "[ . 1 . 2]" 1
259 1 49 ASP HA 1 50 GLU H . . 4.000 3.509 3.487 3.543 . 0 0 "[ . 1 . 2]" 1
260 1 50 GLU H 1 50 GLU QB . . 3.600 2.521 2.129 2.673 . 0 0 "[ . 1 . 2]" 1
261 1 49 ASP QB 1 50 GLU H . . 4.000 2.748 2.508 2.877 . 0 0 "[ . 1 . 2]" 1
262 1 50 GLU H 1 50 GLU HG2 . . 4.000 2.444 2.172 4.099 0.099 16 0 "[ . 1 . 2]" 1
263 1 50 GLU H 1 51 VAL H . . 4.000 2.936 2.671 3.056 . 0 0 "[ . 1 . 2]" 1
264 1 48 GLU HA 1 51 VAL H . . 4.000 3.562 3.316 3.859 . 0 0 "[ . 1 . 2]" 1
265 1 50 GLU HA 1 51 VAL H . . 4.000 3.568 3.542 3.571 . 0 0 "[ . 1 . 2]" 1
266 1 50 GLU QB 1 51 VAL H . . 4.000 2.292 2.053 3.359 . 0 0 "[ . 1 . 2]" 1
267 1 51 VAL H 1 51 VAL HB . . 4.000 3.085 2.600 3.612 . 0 0 "[ . 1 . 2]" 1
268 1 50 GLU HG2 1 51 VAL H . . 4.000 3.823 2.393 4.031 0.031 2 0 "[ . 1 . 2]" 1
269 1 51 VAL H 1 51 VAL QG . . 3.800 1.889 1.810 2.097 . 0 0 "[ . 1 . 2]" 1
270 1 49 ASP HA 1 52 ASN H . . 4.000 3.633 3.271 3.843 . 0 0 "[ . 1 . 2]" 1
271 1 51 VAL HA 1 52 ASN H . . 4.000 3.535 3.513 3.565 . 0 0 "[ . 1 . 2]" 1
272 1 52 ASN H 1 52 ASN HB2 . . 4.000 2.585 2.431 2.708 . 0 0 "[ . 1 . 2]" 1
273 1 52 ASN H 1 52 ASN HB3 . . 4.000 2.485 2.386 2.634 . 0 0 "[ . 1 . 2]" 1
274 1 51 VAL HB 1 52 ASN H . . 4.000 3.511 2.325 4.012 0.012 9 0 "[ . 1 . 2]" 1
275 1 51 VAL MG1 1 52 ASN H . . 4.000 3.201 1.946 4.027 0.027 4 0 "[ . 1 . 2]" 1
276 1 51 VAL H 1 52 ASN H . . 4.000 2.670 2.387 2.822 . 0 0 "[ . 1 . 2]" 1
277 1 52 ASN H 1 53 SER H . . 4.000 2.644 2.535 2.790 . 0 0 "[ . 1 . 2]" 1
278 1 52 ASN HA 1 53 SER H . . 3.800 3.509 3.494 3.532 . 0 0 "[ . 1 . 2]" 1
279 1 50 GLU HA 1 53 SER H . . 4.000 3.747 3.487 3.952 . 0 0 "[ . 1 . 2]" 1
280 1 52 ASN HB2 1 53 SER H . . 4.000 4.003 3.897 4.052 0.052 9 0 "[ . 1 . 2]" 1
281 1 52 ASN HB3 1 53 SER H . . 4.000 2.777 2.627 2.845 . 0 0 "[ . 1 . 2]" 1
282 1 54 TYR H 1 54 TYR QD . . 3.800 3.155 2.272 3.823 0.023 19 0 "[ . 1 . 2]" 1
283 1 53 SER HA 1 54 TYR H . . 4.000 3.555 3.482 3.570 . 0 0 "[ . 1 . 2]" 1
284 1 53 SER QB 1 54 TYR H . . 4.000 2.476 2.067 2.918 . 0 0 "[ . 1 . 2]" 1
285 1 54 TYR H 1 54 TYR HB2 . . 4.000 2.260 2.065 2.739 . 0 0 "[ . 1 . 2]" 1
286 1 54 TYR H 1 54 TYR HB3 . . 4.000 3.357 2.977 3.610 . 0 0 "[ . 1 . 2]" 1
287 1 54 TYR H 1 55 ILE H . . 4.000 2.823 2.600 2.940 . 0 0 "[ . 1 . 2]" 1
288 1 54 TYR HA 1 55 ILE H . . 4.000 3.562 3.541 3.571 . 0 0 "[ . 1 . 2]" 1
289 1 55 ILE H 1 55 ILE HB . . 4.000 2.616 2.144 3.614 . 0 0 "[ . 1 . 2]" 1
290 1 55 ILE H 1 55 ILE MD . . 4.000 3.687 1.901 4.199 0.199 20 0 "[ . 1 . 2]" 1
291 1 54 TYR HB2 1 55 ILE H . . 4.000 2.779 2.113 3.509 . 0 0 "[ . 1 . 2]" 1
292 1 54 TYR HB3 1 55 ILE H . . 4.000 2.880 2.355 3.530 . 0 0 "[ . 1 . 2]" 1
293 1 55 ILE H 1 56 LYS H . . 3.800 2.792 2.536 3.003 . 0 0 "[ . 1 . 2]" 1
294 1 55 ILE HA 1 56 LYS H . . 3.800 3.530 3.488 3.571 . 0 0 "[ . 1 . 2]" 1
295 1 56 LYS H 1 56 LYS QB . . 3.400 2.244 2.103 2.368 . 0 0 "[ . 1 . 2]" 1
296 1 55 ILE HB 1 56 LYS H . . 3.800 3.456 2.127 4.014 0.214 7 0 "[ . 1 . 2]" 1
297 1 56 LYS H 1 56 LYS QG . . 4.000 3.448 2.388 4.021 0.021 11 0 "[ . 1 . 2]" 1
298 1 55 ILE MD 1 56 LYS H . . 4.000 3.955 2.511 4.208 0.208 3 0 "[ . 1 . 2]" 1
299 1 56 LYS H 1 57 GLU H . . 4.000 2.683 2.384 2.893 . 0 0 "[ . 1 . 2]" 1
300 1 56 LYS HA 1 57 GLU H . . 4.000 3.537 3.494 3.572 . 0 0 "[ . 1 . 2]" 1
301 1 57 GLU H 1 57 GLU QG . . 4.000 3.456 2.286 4.022 0.022 6 0 "[ . 1 . 2]" 1
302 1 57 GLU H 1 58 PHE H . . 3.800 2.647 2.444 2.771 . 0 0 "[ . 1 . 2]" 1
303 1 58 PHE H 1 58 PHE QD . . 4.000 3.870 3.172 4.116 0.116 15 0 "[ . 1 . 2]" 1
304 1 56 LYS HA 1 58 PHE H . . 4.000 4.033 3.855 4.103 0.103 3 0 "[ . 1 . 2]" 1
305 1 57 GLU HA 1 58 PHE H . . 3.800 3.479 3.445 3.520 . 0 0 "[ . 1 . 2]" 1
306 1 58 PHE H 1 58 PHE HB2 . . 3.400 2.347 2.073 2.871 . 0 0 "[ . 1 . 2]" 1
307 1 58 PHE H 1 58 PHE HB3 . . 3.400 2.961 2.316 3.323 . 0 0 "[ . 1 . 2]" 1
308 1 57 GLU QB 1 58 PHE H . . 3.800 2.861 2.704 2.990 . 0 0 "[ . 1 . 2]" 1
309 1 58 PHE H 1 59 ALA H . . 4.000 2.670 2.317 2.905 . 0 0 "[ . 1 . 2]" 1
310 1 58 PHE HA 1 59 ALA H . . 4.000 3.391 2.950 3.556 . 0 0 "[ . 1 . 2]" 1
311 1 59 ALA H 1 60 ILE H . . 3.400 2.824 1.864 3.152 . 0 0 "[ . 1 . 2]" 1
312 1 58 PHE HA 1 60 ILE H . . 6.000 5.582 4.168 6.090 0.090 11 0 "[ . 1 . 2]" 1
313 1 59 ALA HA 1 60 ILE H . . 3.800 2.882 2.294 3.552 . 0 0 "[ . 1 . 2]" 1
314 1 60 ILE H 1 60 ILE HB . . 3.800 3.387 2.103 3.953 0.153 19 0 "[ . 1 . 2]" 1
315 1 59 ALA MB 1 60 ILE H . . 3.800 3.048 1.961 3.720 . 0 0 "[ . 1 . 2]" 1
316 1 60 ILE H 1 60 ILE HG12 . . 4.000 3.204 2.155 4.390 0.390 8 0 "[ . 1 . 2]" 1
317 1 60 ILE H 1 60 ILE MG . . 4.000 3.012 1.895 3.885 . 0 0 "[ . 1 . 2]" 1
318 1 60 ILE H 1 60 ILE MD . . 4.000 3.597 1.971 4.380 0.380 8 0 "[ . 1 . 2]" 1
319 1 60 ILE HA 1 61 GLU H . . 4.000 2.726 2.212 3.550 . 0 0 "[ . 1 . 2]" 1
320 1 61 GLU H 1 61 GLU QB . . 3.400 2.859 2.297 3.399 . 0 0 "[ . 1 . 2]" 1
321 1 61 GLU H 1 61 GLU QG . . 3.400 2.643 2.004 3.413 0.013 8 0 "[ . 1 . 2]" 1
322 1 60 ILE HG12 1 61 GLU H . . 4.000 3.944 2.400 4.503 0.503 17 1 "[ . 1 . + 2]" 1
323 1 60 ILE MG 1 61 GLU H . . 4.000 3.133 1.866 3.807 . 0 0 "[ . 1 . 2]" 1
324 1 60 ILE MD 1 61 GLU H . . 4.000 3.093 1.827 4.148 0.148 10 0 "[ . 1 . 2]" 1
325 1 61 GLU HA 1 62 GLY H . . 3.800 2.630 2.202 3.555 . 0 0 "[ . 1 . 2]" 1
326 1 61 GLU QB 1 62 GLY H . . 4.000 2.152 1.910 2.947 . 0 0 "[ . 1 . 2]" 1
327 1 61 GLU QG 1 62 GLY H . . 4.000 3.448 2.556 4.018 0.018 11 0 "[ . 1 . 2]" 1
328 1 62 GLY H 1 63 GLU H . . 4.000 3.890 2.742 4.161 0.161 11 0 "[ . 1 . 2]" 1
329 1 62 GLY HA2 1 63 GLU H . . 3.800 2.706 2.141 3.538 . 0 0 "[ . 1 . 2]" 1
330 1 62 GLY HA3 1 63 GLU H . . 4.000 2.625 2.137 3.218 . 0 0 "[ . 1 . 2]" 1
331 1 63 GLU H 1 63 GLU HB2 . . 3.400 2.622 2.084 3.540 0.140 3 0 "[ . 1 . 2]" 1
332 1 63 GLU H 1 63 GLU HB3 . . 3.400 3.176 2.609 3.494 0.094 3 0 "[ . 1 . 2]" 1
333 1 63 GLU H 1 64 THR H . . 3.400 2.444 2.058 2.780 . 0 0 "[ . 1 . 2]" 1
334 1 63 GLU HA 1 64 THR H . . 3.400 3.557 3.504 3.570 0.170 20 0 "[ . 1 . 2]" 1
335 1 64 THR H 1 64 THR HB . . 4.000 3.642 3.261 3.961 . 0 0 "[ . 1 . 2]" 1
336 1 63 GLU HB2 1 64 THR H . . 3.800 3.067 2.658 3.535 . 0 0 "[ . 1 . 2]" 1
337 1 63 GLU HB3 1 64 THR H . . 3.800 2.706 2.060 3.811 0.011 17 0 "[ . 1 . 2]" 1
338 1 64 THR H 1 64 THR MG . . 4.000 2.514 2.013 2.851 . 0 0 "[ . 1 . 2]" 1
339 1 30 ILE H 1 65 PHE H . . 3.000 3.013 2.869 3.133 0.133 7 0 "[ . 1 . 2]" 1
340 1 65 PHE H 1 65 PHE QD . . 3.800 2.596 2.112 3.308 . 0 0 "[ . 1 . 2]" 1
341 1 64 THR HA 1 65 PHE H . . 3.800 2.208 2.190 2.241 . 0 0 "[ . 1 . 2]" 1
342 1 65 PHE H 1 65 PHE HZ . . 5.500 5.478 5.243 5.678 0.178 18 0 "[ . 1 . 2]" 1
343 1 31 ASP HA 1 65 PHE H . . 4.000 3.427 3.277 3.618 . 0 0 "[ . 1 . 2]" 1
344 1 64 THR HB 1 65 PHE H . . 3.800 3.728 2.938 3.992 0.192 7 0 "[ . 1 . 2]" 1
345 1 65 PHE H 1 65 PHE HB2 . . 4.000 3.732 3.616 3.937 . 0 0 "[ . 1 . 2]" 1
346 1 65 PHE H 1 65 PHE HB3 . . 4.000 3.823 3.295 3.891 . 0 0 "[ . 1 . 2]" 1
347 1 64 THR MG 1 65 PHE H . . 4.000 4.023 3.792 4.174 0.174 9 0 "[ . 1 . 2]" 1
348 1 65 PHE HA 1 66 GLN H . . 3.600 3.462 2.876 3.543 . 0 0 "[ . 1 . 2]" 1
349 1 65 PHE HB3 1 66 GLN H . . 3.800 3.373 3.256 3.533 . 0 0 "[ . 1 . 2]" 1
350 1 66 GLN H 1 66 GLN HB2 . . 3.800 3.608 3.179 4.014 0.214 16 0 "[ . 1 . 2]" 1
351 1 66 GLN H 1 66 GLN HB3 . . 3.000 3.397 2.966 3.781 0.781 19 7 "[ * . 1- **.** +2]" 1
352 1 65 PHE HB2 1 66 GLN H . . 3.800 1.855 1.718 2.068 . 0 0 "[ . 1 . 2]" 1
353 1 65 PHE HZ 1 66 GLN H . . 5.500 5.654 5.544 5.905 0.405 18 0 "[ . 1 . 2]" 1
354 1 65 PHE QD 1 66 GLN H . . 4.000 1.830 1.711 2.308 . 0 0 "[ . 1 . 2]" 1
355 1 66 GLN HA 1 67 ILE H . . 3.400 3.428 2.750 3.524 0.124 12 0 "[ . 1 . 2]" 1
356 1 67 ILE H 1 67 ILE HB . . 4.000 2.773 2.178 3.615 . 0 0 "[ . 1 . 2]" 1
357 1 67 ILE H 1 68 GLU H . . 3.400 2.626 2.326 2.727 . 0 0 "[ . 1 . 2]" 1
358 1 68 GLU H 1 68 GLU QB . . 3.400 2.126 2.051 2.246 . 0 0 "[ . 1 . 2]" 1
359 1 68 GLU H 1 69 GLN H . . 3.400 2.814 2.770 2.905 . 0 0 "[ . 1 . 2]" 1
360 1 68 GLU HA 1 69 GLN H . . 4.000 3.476 3.453 3.522 . 0 0 "[ . 1 . 2]" 1
361 1 69 GLN H 1 69 GLN QG . . 4.000 2.722 1.921 3.972 . 0 0 "[ . 1 . 2]" 1
362 1 71 GLU H 1 71 GLU QG . . 4.000 3.525 1.915 4.033 0.033 18 0 "[ . 1 . 2]" 1
363 1 71 GLU H 1 72 LEU H . . 4.000 2.873 2.682 3.060 . 0 0 "[ . 1 . 2]" 1
364 1 71 GLU HA 1 72 LEU H . . 4.000 3.548 3.519 3.571 . 0 0 "[ . 1 . 2]" 1
365 1 71 GLU QB 1 72 LEU H . . 4.000 2.508 2.200 3.442 . 0 0 "[ . 1 . 2]" 1
366 1 72 LEU H 1 72 LEU HG . . 4.000 2.162 1.925 4.037 0.037 19 0 "[ . 1 . 2]" 1
367 1 71 GLU QG 1 72 LEU H . . 4.000 3.650 1.976 4.023 0.023 13 0 "[ . 1 . 2]" 1
368 1 72 LEU H 1 72 LEU QD . . 4.000 2.877 2.093 3.736 . 0 0 "[ . 1 . 2]" 1
369 1 73 ILE H 1 73 ILE HB . . 4.000 2.660 2.524 3.600 . 0 0 "[ . 1 . 2]" 1
370 1 72 LEU HG 1 73 ILE H . . 4.000 3.765 1.883 4.128 0.128 3 0 "[ . 1 . 2]" 1
371 1 73 ILE H 1 73 ILE HG12 . . 3.800 2.850 1.950 3.643 . 0 0 "[ . 1 . 2]" 1
372 1 73 ILE H 1 73 ILE HG13 . . 3.800 2.590 1.945 3.614 . 0 0 "[ . 1 . 2]" 1
373 1 72 LEU MD1 1 73 ILE H . . 4.000 3.702 2.600 4.053 0.053 11 0 "[ . 1 . 2]" 1
374 1 73 ILE H 1 73 ILE MG . . 4.000 3.680 2.038 3.769 . 0 0 "[ . 1 . 2]" 1
375 1 73 ILE HA 1 74 MET H . . 4.000 3.516 3.477 3.553 . 0 0 "[ . 1 . 2]" 1
376 1 73 ILE H 1 74 MET H . . 3.400 2.814 2.739 2.862 . 0 0 "[ . 1 . 2]" 1
377 1 74 MET HA 1 75 GLU H . . 4.000 3.488 3.452 3.508 . 0 0 "[ . 1 . 2]" 1
378 1 75 GLU H 1 75 GLU QB . . 3.400 2.243 2.216 2.451 . 0 0 "[ . 1 . 2]" 1
379 1 75 GLU H 1 75 GLU QG . . 4.000 3.896 2.307 4.019 0.019 6 0 "[ . 1 . 2]" 1
380 1 75 GLU H 1 76 ARG H . . 3.400 2.784 2.576 2.880 . 0 0 "[ . 1 . 2]" 1
381 1 76 ARG H 1 76 ARG QD . . 4.000 3.636 2.341 4.120 0.120 16 0 "[ . 1 . 2]" 1
382 1 75 GLU HA 1 76 ARG H . . 4.000 3.529 3.493 3.555 . 0 0 "[ . 1 . 2]" 1
383 1 75 GLU QG 1 76 ARG H . . 4.000 3.612 3.134 4.089 0.089 11 0 "[ . 1 . 2]" 1
384 1 76 ARG H 1 76 ARG QB . . 3.800 2.520 2.226 2.670 . 0 0 "[ . 1 . 2]" 1
385 1 75 GLU QB 1 76 ARG H . . 4.000 2.655 2.508 2.843 . 0 0 "[ . 1 . 2]" 1
386 1 76 ARG H 1 77 GLU H . . 4.000 2.574 2.283 2.753 . 0 0 "[ . 1 . 2]" 1
387 1 75 GLU H 1 77 GLU H . . 4.000 4.086 3.846 4.182 0.182 2 0 "[ . 1 . 2]" 1
388 1 76 ARG QD 1 77 GLU H . . 4.000 3.904 2.966 4.153 0.153 15 0 "[ . 1 . 2]" 1
389 1 74 MET HA 1 77 GLU H . . 4.000 3.206 2.915 3.425 . 0 0 "[ . 1 . 2]" 1
390 1 77 GLU H 1 77 GLU QB . . 3.400 2.356 2.199 2.590 . 0 0 "[ . 1 . 2]" 1
391 1 77 GLU H 1 77 GLU QG . . 4.000 3.457 2.082 3.999 . 0 0 "[ . 1 . 2]" 1
392 1 74 MET HA 1 78 GLN H . . 4.000 3.984 3.616 4.109 0.109 18 0 "[ . 1 . 2]" 1
393 1 77 GLU HA 1 78 GLN H . . 3.800 3.544 3.512 3.570 . 0 0 "[ . 1 . 2]" 1
394 1 78 GLN H 1 78 GLN QG . . 3.400 2.302 1.935 2.620 . 0 0 "[ . 1 . 2]" 1
395 1 77 GLU QB 1 78 GLN H . . 4.000 2.439 2.057 2.686 . 0 0 "[ . 1 . 2]" 1
396 1 77 GLU QG 1 78 GLN H . . 4.000 3.802 3.345 4.005 0.005 14 0 "[ . 1 . 2]" 1
397 1 78 GLN H 1 79 SER H . . 3.400 2.585 2.394 2.941 . 0 0 "[ . 1 . 2]" 1
398 1 78 GLN HA 1 79 SER H . . 4.000 3.514 3.489 3.569 . 0 0 "[ . 1 . 2]" 1
399 1 78 GLN QB 1 79 SER H . . 4.000 3.139 2.159 3.527 . 0 0 "[ . 1 . 2]" 1
400 1 78 GLN QG 1 79 SER H . . 4.000 2.697 1.976 4.052 0.052 19 0 "[ . 1 . 2]" 1
401 1 79 SER H 1 80 LYS H . . 3.400 2.685 2.447 2.935 . 0 0 "[ . 1 . 2]" 1
402 1 78 GLN H 1 80 LYS H . . 4.000 4.072 3.999 4.190 0.190 2 0 "[ . 1 . 2]" 1
403 1 79 SER HA 1 80 LYS H . . 3.400 3.197 2.878 3.486 0.086 16 0 "[ . 1 . 2]" 1
404 1 78 GLN HA 1 80 LYS H . . 4.000 3.855 3.594 4.052 0.052 15 0 "[ . 1 . 2]" 1
405 1 79 SER QB 1 80 LYS H . . 4.000 3.469 2.807 4.033 0.033 8 0 "[ . 1 . 2]" 1
406 1 80 LYS H 1 80 LYS QE . . 4.000 3.861 2.807 4.066 0.066 2 0 "[ . 1 . 2]" 1
407 1 80 LYS H 1 80 LYS QB . . 3.400 2.379 2.064 2.761 . 0 0 "[ . 1 . 2]" 1
408 1 80 LYS H 1 80 LYS QG . . 4.000 2.671 1.822 3.973 . 0 0 "[ . 1 . 2]" 1
409 1 80 LYS H 1 80 LYS QD . . 3.400 3.019 1.937 3.865 0.465 10 0 "[ . 1 . 2]" 1
410 1 82 ASP H 1 83 THR H . . 5.000 3.163 1.876 4.633 . 0 0 "[ . 1 . 2]" 1
411 1 82 ASP HA 1 83 THR H . . 4.000 2.778 2.201 3.527 . 0 0 "[ . 1 . 2]" 1
412 1 82 ASP QB 1 83 THR H . . 5.000 3.229 1.931 3.987 . 0 0 "[ . 1 . 2]" 1
413 1 83 THR HB 1 84 ARG H . . 5.000 3.902 2.904 4.385 . 0 0 "[ . 1 . 2]" 1
414 1 84 ARG H 1 84 ARG HE . . 5.000 4.551 2.787 5.005 0.005 11 0 "[ . 1 . 2]" 1
415 1 84 ARG H 1 84 ARG HG2 . . 5.000 3.274 1.982 4.661 . 0 0 "[ . 1 . 2]" 1
416 1 84 ARG H 1 84 ARG HG3 . . 5.000 3.273 1.990 4.450 . 0 0 "[ . 1 . 2]" 1
417 1 83 THR MG 1 84 ARG H . . 5.000 3.277 1.984 4.343 . 0 0 "[ . 1 . 2]" 1
418 1 85 GLU H 1 86 ILE H . . 5.000 2.586 2.461 2.650 . 0 0 "[ . 1 . 2]" 1
419 1 85 GLU HA 1 86 ILE H . . 5.000 3.529 3.470 3.554 . 0 0 "[ . 1 . 2]" 1
420 1 87 LYS HA 1 88 LEU H . . 4.000 3.553 3.479 3.570 . 0 0 "[ . 1 . 2]" 1
421 1 88 LEU H 1 88 LEU HB2 . . 3.500 2.254 2.044 3.579 0.079 16 0 "[ . 1 . 2]" 1
422 1 88 LEU H 1 88 LEU HB3 . . 3.500 3.179 2.301 3.547 0.047 2 0 "[ . 1 . 2]" 1
423 1 87 LYS QB 1 88 LEU H . . 4.000 2.460 2.176 3.353 . 0 0 "[ . 1 . 2]" 1
424 1 88 LEU H 1 88 LEU QD . . 5.000 2.985 1.914 3.719 . 0 0 "[ . 1 . 2]" 1
425 1 89 ARG H 1 89 ARG QG . . 5.000 2.954 1.914 4.017 . 0 0 "[ . 1 . 2]" 1
426 1 88 LEU HB3 1 89 ARG H . . 5.000 2.786 2.098 3.843 . 0 0 "[ . 1 . 2]" 1
427 1 88 LEU QD 1 89 ARG H . . 5.000 3.839 2.659 4.118 . 0 0 "[ . 1 . 2]" 1
428 1 91 ALA H 1 92 PHE H . . 5.000 2.560 2.297 3.030 . 0 0 "[ . 1 . 2]" 1
429 1 91 ALA HA 1 92 PHE H . . 5.000 3.531 3.500 3.572 . 0 0 "[ . 1 . 2]" 1
430 1 91 ALA MB 1 92 PHE H . . 4.000 2.641 2.136 2.841 . 0 0 "[ . 1 . 2]" 1
431 1 92 PHE HA 1 93 GLU H . . 5.000 3.544 3.454 3.570 . 0 0 "[ . 1 . 2]" 1
432 1 92 PHE HB2 1 93 GLU H . . 4.000 2.746 2.348 3.969 . 0 0 "[ . 1 . 2]" 1
433 1 92 PHE HB3 1 93 GLU H . . 4.000 3.351 2.480 4.131 0.131 17 0 "[ . 1 . 2]" 1
434 1 93 GLU H 1 94 VAL H . . 5.000 2.745 2.545 2.827 . 0 0 "[ . 1 . 2]" 1
435 1 93 GLU HA 1 94 VAL H . . 5.000 3.466 3.440 3.498 . 0 0 "[ . 1 . 2]" 1
436 1 92 PHE HA 1 94 VAL H . . 5.000 3.830 3.614 4.103 . 0 0 "[ . 1 . 2]" 1
437 1 94 VAL H 1 94 VAL HB . . 4.000 2.585 2.495 2.692 . 0 0 "[ . 1 . 2]" 1
438 1 95 PHE H 1 96 ASP H . . 3.500 2.449 2.199 2.700 . 0 0 "[ . 1 . 2]" 1
439 1 94 VAL H 1 95 PHE H . . 4.000 2.443 2.222 2.650 . 0 0 "[ . 1 . 2]" 1
440 1 94 VAL QG 1 95 PHE H . . 5.000 3.372 3.271 3.462 . 0 0 "[ . 1 . 2]" 1
441 1 95 PHE HA 1 96 ASP H . . 5.000 3.562 3.495 3.569 . 0 0 "[ . 1 . 2]" 1
442 1 95 PHE QB 1 96 ASP H . . 5.000 2.318 2.123 2.871 . 0 0 "[ . 1 . 2]" 1
443 1 97 GLN H 1 97 GLN QG . . 4.000 3.159 1.973 3.979 . 0 0 "[ . 1 . 2]" 1
444 1 96 ASP HA 1 97 GLN H . . 4.000 2.196 2.144 2.231 . 0 0 "[ . 1 . 2]" 1
445 1 96 ASP QB 1 97 GLN H . . 5.000 3.924 3.445 4.007 . 0 0 "[ . 1 . 2]" 1
446 1 98 ASP H 1 99 LYS H . . 5.000 2.633 2.526 2.696 . 0 0 "[ . 1 . 2]" 1
447 1 97 GLN HA 1 98 ASP H . . 5.000 3.501 3.474 3.515 . 0 0 "[ . 1 . 2]" 1
448 1 99 LYS H 1 100 ASP H . . 5.000 4.518 4.365 4.639 . 0 0 "[ . 1 . 2]" 1
449 1 98 ASP HA 1 99 LYS H . . 5.000 3.428 3.411 3.478 . 0 0 "[ . 1 . 2]" 1
450 1 98 ASP HB2 1 99 LYS H . . 5.000 4.366 4.271 4.395 . 0 0 "[ . 1 . 2]" 1
451 1 99 LYS H 1 99 LYS QG . . 5.000 3.330 2.297 4.064 . 0 0 "[ . 1 . 2]" 1
452 1 99 LYS H 1 99 LYS QD . . 5.000 4.310 3.807 4.747 . 0 0 "[ . 1 . 2]" 1
453 1 99 LYS HA 1 100 ASP H . . 3.500 2.160 2.139 2.271 . 0 0 "[ . 1 . 2]" 1
454 1 100 ASP H 1 100 ASP HB2 . . 3.500 3.506 3.311 3.550 0.050 18 0 "[ . 1 . 2]" 1
455 1 99 LYS QB 1 100 ASP H . . 5.000 3.496 3.052 3.919 . 0 0 "[ . 1 . 2]" 1
456 1 99 LYS QG 1 100 ASP H . . 5.000 3.532 2.418 4.454 . 0 0 "[ . 1 . 2]" 1
457 1 100 ASP H 1 101 GLY H . . 3.500 2.468 2.071 2.669 . 0 0 "[ . 1 . 2]" 1
458 1 100 ASP HA 1 101 GLY H . . 5.000 2.930 2.898 3.131 . 0 0 "[ . 1 . 2]" 1
459 1 100 ASP HB3 1 101 GLY H . . 5.000 4.675 4.640 4.679 . 0 0 "[ . 1 . 2]" 1
460 1 100 ASP HB2 1 101 GLY H . . 5.000 4.252 4.070 4.314 . 0 0 "[ . 1 . 2]" 1
461 1 101 GLY H 1 102 LYS H . . 3.500 2.617 2.506 2.675 . 0 0 "[ . 1 . 2]" 1
462 1 101 GLY QA 1 102 LYS H . . 5.000 2.909 2.889 2.912 . 0 0 "[ . 1 . 2]" 1
463 1 102 LYS H 1 102 LYS QE . . 5.000 4.375 3.584 4.971 . 0 0 "[ . 1 . 2]" 1
464 1 102 LYS H 1 102 LYS HB2 . . 4.000 3.764 2.857 3.982 . 0 0 "[ . 1 . 2]" 1
465 1 102 LYS H 1 102 LYS HB3 . . 4.000 3.558 3.388 3.941 . 0 0 "[ . 1 . 2]" 1
466 1 102 LYS HA 1 103 ILE H . . 3.000 2.189 2.177 2.214 . 0 0 "[ . 1 . 2]" 1
467 1 102 LYS HB3 1 103 ILE H . . 5.000 3.885 3.009 4.135 . 0 0 "[ . 1 . 2]" 1
468 1 103 ILE H 1 103 ILE HG12 . . 4.000 3.094 2.361 4.137 0.137 17 0 "[ . 1 . 2]" 1
469 1 103 ILE H 1 103 ILE HG13 . . 5.000 3.135 2.180 4.104 . 0 0 "[ . 1 . 2]" 1
470 1 103 ILE H 1 103 ILE MD . . 5.000 2.981 1.988 4.174 . 0 0 "[ . 1 . 2]" 1
471 1 103 ILE HA 1 104 LYS H . . 5.000 2.570 2.440 2.636 . 0 0 "[ . 1 . 2]" 1
472 1 103 ILE HB 1 104 LYS H . . 5.000 2.051 1.923 2.287 . 0 0 "[ . 1 . 2]" 1
473 1 104 LYS H 1 104 LYS QG . . 5.000 3.027 2.466 3.732 . 0 0 "[ . 1 . 2]" 1
474 1 103 ILE HG12 1 104 LYS H . . 5.000 4.295 3.327 4.796 . 0 0 "[ . 1 . 2]" 1
475 1 104 LYS H 1 104 LYS QD . . 5.000 3.668 1.968 4.620 . 0 0 "[ . 1 . 2]" 1
476 1 103 ILE MD 1 104 LYS H . . 5.000 4.045 3.257 4.720 . 0 0 "[ . 1 . 2]" 1
477 1 104 LYS H 1 105 ALA H . . 5.000 4.542 4.401 4.638 . 0 0 "[ . 1 . 2]" 1
478 1 104 LYS HA 1 105 ALA H . . 3.000 2.549 2.365 2.731 . 0 0 "[ . 1 . 2]" 1
479 1 104 LYS QB 1 105 ALA H . . 5.000 2.194 1.912 2.559 . 0 0 "[ . 1 . 2]" 1
480 1 103 ILE HB 1 105 ALA H . . 6.000 5.870 5.752 6.059 0.059 8 0 "[ . 1 . 2]" 1
481 1 104 LYS QG 1 105 ALA H . . 5.000 3.456 2.293 3.964 . 0 0 "[ . 1 . 2]" 1
482 1 105 ALA H 1 105 ALA MB . . 3.500 2.117 2.025 2.225 . 0 0 "[ . 1 . 2]" 1
483 1 104 LYS QD 1 105 ALA H . . 5.000 4.083 2.747 4.978 . 0 0 "[ . 1 . 2]" 1
484 1 105 ALA H 1 106 SER H . . 3.500 2.712 2.503 2.853 . 0 0 "[ . 1 . 2]" 1
485 1 106 SER H 1 106 SER QB . . 3.500 2.381 2.056 2.914 . 0 0 "[ . 1 . 2]" 1
486 1 105 ALA HA 1 106 SER H . . 5.000 3.527 3.482 3.563 . 0 0 "[ . 1 . 2]" 1
487 1 104 LYS QB 1 106 SER H . . 5.000 2.585 2.321 2.827 . 0 0 "[ . 1 . 2]" 1
488 1 104 LYS QG 1 106 SER H . . 5.000 4.537 3.702 4.890 . 0 0 "[ . 1 . 2]" 1
489 1 105 ALA MB 1 106 SER H . . 4.000 2.647 2.425 2.874 . 0 0 "[ . 1 . 2]" 1
490 1 107 ASP H 1 108 LEU H . . 5.000 2.683 2.524 2.867 . 0 0 "[ . 1 . 2]" 1
491 1 106 SER H 1 107 ASP H . . 5.000 2.902 2.791 3.017 . 0 0 "[ . 1 . 2]" 1
492 1 106 SER HA 1 107 ASP H . . 5.000 3.568 3.563 3.570 . 0 0 "[ . 1 . 2]" 1
493 1 106 SER QB 1 107 ASP H . . 5.000 2.319 2.115 3.017 . 0 0 "[ . 1 . 2]" 1
494 1 107 ASP H 1 107 ASP HB2 . . 3.500 2.194 2.069 2.513 . 0 0 "[ . 1 . 2]" 1
495 1 107 ASP H 1 107 ASP HB3 . . 3.500 3.003 2.551 3.396 . 0 0 "[ . 1 . 2]" 1
496 1 107 ASP HA 1 108 LEU H . . 5.000 3.504 3.441 3.552 . 0 0 "[ . 1 . 2]" 1
497 1 106 SER HA 1 108 LEU H . . 5.000 4.325 4.065 4.508 . 0 0 "[ . 1 . 2]" 1
498 1 107 ASP HB2 1 108 LEU H . . 4.000 3.582 3.199 4.009 0.009 13 0 "[ . 1 . 2]" 1
499 1 108 LEU H 1 108 LEU QB . . 3.500 2.176 2.098 2.229 . 0 0 "[ . 1 . 2]" 1
500 1 108 LEU H 1 108 LEU HG . . 5.000 4.379 4.094 4.587 . 0 0 "[ . 1 . 2]" 1
501 1 108 LEU H 1 108 LEU QD . . 5.000 3.646 3.500 3.754 . 0 0 "[ . 1 . 2]" 1
502 1 108 LEU H 1 109 ALA H . . 5.000 2.959 2.837 3.021 . 0 0 "[ . 1 . 2]" 1
503 1 106 SER HA 1 109 ALA H . . 5.000 3.986 3.719 4.310 . 0 0 "[ . 1 . 2]" 1
504 1 109 ALA H 1 109 ALA MB . . 3.500 2.105 2.038 2.269 . 0 0 "[ . 1 . 2]" 1
505 1 108 LEU QB 1 109 ALA H . . 5.000 2.340 2.098 2.449 . 0 0 "[ . 1 . 2]" 1
506 1 109 ALA H 1 110 HIS H . . 5.000 2.539 2.375 2.706 . 0 0 "[ . 1 . 2]" 1
507 1 110 HIS H 1 110 HIS QB . . 3.500 2.159 2.045 2.313 . 0 0 "[ . 1 . 2]" 1
508 1 109 ALA HA 1 110 HIS H . . 5.000 3.489 3.396 3.546 . 0 0 "[ . 1 . 2]" 1
509 1 109 ALA MB 1 110 HIS H . . 5.000 2.830 2.490 3.080 . 0 0 "[ . 1 . 2]" 1
510 1 112 LEU H 1 112 LEU HG . . 5.000 4.142 3.017 4.600 . 0 0 "[ . 1 . 2]" 1
511 1 112 LEU H 1 112 LEU QD . . 5.000 3.152 2.263 3.724 . 0 0 "[ . 1 . 2]" 1
512 1 112 LEU H 1 113 THR H . . 5.000 2.798 2.724 2.889 . 0 0 "[ . 1 . 2]" 1
513 1 113 THR H 1 113 THR HB . . 3.500 2.903 2.497 3.364 . 0 0 "[ . 1 . 2]" 1
514 1 112 LEU HA 1 113 THR H . . 5.000 3.505 3.452 3.552 . 0 0 "[ . 1 . 2]" 1
515 1 112 LEU HB2 1 113 THR H . . 5.000 3.415 2.883 4.034 . 0 0 "[ . 1 . 2]" 1
516 1 112 LEU HB3 1 113 THR H . . 5.000 2.979 2.743 3.385 . 0 0 "[ . 1 . 2]" 1
517 1 112 LEU HG 1 113 THR H . . 5.000 4.892 4.042 5.074 0.074 7 0 "[ . 1 . 2]" 1
518 1 112 LEU QD 1 113 THR H . . 5.000 3.977 2.961 4.278 . 0 0 "[ . 1 . 2]" 1
519 1 113 THR HA 1 114 THR H . . 5.000 3.512 3.455 3.571 . 0 0 "[ . 1 . 2]" 1
520 1 113 THR MG 1 114 THR H . . 5.000 3.748 2.055 4.246 . 0 0 "[ . 1 . 2]" 1
521 1 114 THR H 1 115 VAL H . . 5.000 2.595 2.423 2.730 . 0 0 "[ . 1 . 2]" 1
522 1 114 THR HA 1 115 VAL H . . 5.000 3.528 3.465 3.562 . 0 0 "[ . 1 . 2]" 1
523 1 115 VAL H 1 116 GLY H . . 5.000 2.615 2.427 2.772 . 0 0 "[ . 1 . 2]" 1
524 1 113 THR HA 1 116 GLY H . . 3.500 3.586 3.445 3.669 0.169 19 0 "[ . 1 . 2]" 1
525 1 115 VAL HB 1 116 GLY H . . 5.000 3.285 2.653 4.077 . 0 0 "[ . 1 . 2]" 1
526 1 115 VAL MG2 1 116 GLY H . . 5.000 3.864 2.054 4.231 . 0 0 "[ . 1 . 2]" 1
527 1 115 VAL MG1 1 116 GLY H . . 5.000 2.959 1.998 3.782 . 0 0 "[ . 1 . 2]" 1
528 1 116 GLY HA2 1 117 ASP H . . 5.000 3.016 2.746 3.567 . 0 0 "[ . 1 . 2]" 1
529 1 116 GLY HA3 1 117 ASP H . . 5.000 2.733 2.135 3.554 . 0 0 "[ . 1 . 2]" 1
530 1 118 LYS H 1 118 LYS QG . . 5.000 3.748 2.631 4.220 . 0 0 "[ . 1 . 2]" 1
531 1 118 LYS H 1 118 LYS QD . . 5.000 4.686 3.564 5.002 0.002 15 0 "[ . 1 . 2]" 1
532 1 118 LYS HA 1 119 MET H . . 5.000 2.281 2.141 2.721 . 0 0 "[ . 1 . 2]" 1
533 1 119 MET HA 1 120 THR H . . 5.000 2.190 2.144 2.244 . 0 0 "[ . 1 . 2]" 1
534 1 120 THR H 1 121 LYS H . . 5.000 4.392 4.383 4.403 . 0 0 "[ . 1 . 2]" 1
535 1 121 LYS H 1 121 LYS QZ . . 5.000 4.248 2.854 4.963 . 0 0 "[ . 1 . 2]" 1
536 1 120 THR HB 1 121 LYS H . . 5.000 2.229 2.196 2.272 . 0 0 "[ . 1 . 2]" 1
537 1 120 THR HA 1 121 LYS H . . 3.500 2.717 2.702 2.731 . 0 0 "[ . 1 . 2]" 1
538 1 121 LYS H 1 121 LYS QE . . 5.000 4.224 2.415 4.711 . 0 0 "[ . 1 . 2]" 1
539 1 120 THR MG 1 121 LYS H . . 5.000 2.010 1.932 2.161 . 0 0 "[ . 1 . 2]" 1
540 1 121 LYS H 1 122 GLU H . . 5.000 2.790 2.753 2.819 . 0 0 "[ . 1 . 2]" 1
541 1 121 LYS HA 1 122 GLU H . . 3.500 3.457 3.436 3.475 . 0 0 "[ . 1 . 2]" 1
542 1 120 THR HA 1 122 GLU H . . 5.000 4.215 4.168 4.266 . 0 0 "[ . 1 . 2]" 1
543 1 122 GLU H 1 122 GLU HG3 . . 5.000 3.382 3.372 3.398 . 0 0 "[ . 1 . 2]" 1
544 1 122 GLU H 1 122 GLU HG2 . . 5.000 1.878 1.852 1.903 . 0 0 "[ . 1 . 2]" 1
545 1 121 LYS HB2 1 122 GLU H . . 5.000 3.277 2.988 3.818 . 0 0 "[ . 1 . 2]" 1
546 1 121 LYS HB3 1 122 GLU H . . 5.000 3.576 3.149 4.227 . 0 0 "[ . 1 . 2]" 1
547 1 122 GLU H 1 123 GLU H . . 5.000 2.786 2.731 2.824 . 0 0 "[ . 1 . 2]" 1
548 1 121 LYS HA 1 123 GLU H . . 5.000 4.795 4.660 4.900 . 0 0 "[ . 1 . 2]" 1
549 1 122 GLU HA 1 123 GLU H . . 5.000 3.569 3.566 3.572 . 0 0 "[ . 1 . 2]" 1
550 1 122 GLU HG2 1 123 GLU H . . 5.000 3.362 3.299 3.450 . 0 0 "[ . 1 . 2]" 1
551 1 122 GLU HG3 1 123 GLU H . . 5.000 4.400 4.336 4.481 . 0 0 "[ . 1 . 2]" 1
552 1 124 VAL H 1 125 GLU H . . 5.000 2.658 2.461 2.845 . 0 0 "[ . 1 . 2]" 1
553 1 123 GLU HA 1 124 VAL H . . 5.000 3.563 3.550 3.570 . 0 0 "[ . 1 . 2]" 1
554 1 123 GLU QB 1 124 VAL H . . 5.000 2.413 2.201 2.619 . 0 0 "[ . 1 . 2]" 1
555 1 124 VAL HA 1 125 GLU H . . 5.000 3.511 3.437 3.537 . 0 0 "[ . 1 . 2]" 1
556 1 125 GLU H 1 125 GLU QG . . 5.000 3.244 2.999 3.984 . 0 0 "[ . 1 . 2]" 1
557 1 124 VAL HB 1 125 GLU H . . 5.000 3.951 3.875 4.118 . 0 0 "[ . 1 . 2]" 1
558 1 124 VAL MG2 1 125 GLU H . . 5.000 3.560 2.124 3.929 . 0 0 "[ . 1 . 2]" 1
559 1 125 GLU H 1 126 LYS H . . 3.500 2.893 2.510 2.996 . 0 0 "[ . 1 . 2]" 1
560 1 125 GLU HA 1 126 LYS H . . 5.000 3.558 3.495 3.571 . 0 0 "[ . 1 . 2]" 1
561 1 126 LYS H 1 126 LYS QB . . 3.500 2.670 2.632 2.778 . 0 0 "[ . 1 . 2]" 1
562 1 126 LYS H 1 126 LYS QG . . 3.500 1.906 1.783 1.994 . 0 0 "[ . 1 . 2]" 1
563 1 126 LYS H 1 126 LYS QE . . 5.000 3.688 3.385 4.218 . 0 0 "[ . 1 . 2]" 1
564 1 125 GLU QG 1 126 LYS H . . 5.000 4.053 2.869 4.539 . 0 0 "[ . 1 . 2]" 1
565 1 126 LYS H 1 127 VAL H . . 5.000 2.570 2.337 2.748 . 0 0 "[ . 1 . 2]" 1
566 1 125 GLU H 1 127 VAL H . . 6.000 4.011 3.902 4.206 . 0 0 "[ . 1 . 2]" 1
567 1 127 VAL H 1 129 SER H . . 6.000 3.941 3.817 4.060 . 0 0 "[ . 1 . 2]" 1
568 1 126 LYS HA 1 127 VAL H . . 5.000 3.520 3.474 3.559 . 0 0 "[ . 1 . 2]" 1
569 1 127 VAL H 1 127 VAL HB . . 3.500 2.531 2.364 3.604 0.104 6 0 "[ . 1 . 2]" 1
570 1 126 LYS QB 1 127 VAL H . . 5.000 3.385 3.184 3.536 . 0 0 "[ . 1 . 2]" 1
571 1 126 LYS QG 1 127 VAL H . . 6.000 2.053 1.835 2.318 . 0 0 "[ . 1 . 2]" 1
572 1 124 VAL HA 1 127 VAL H . . 5.000 3.366 3.084 3.598 . 0 0 "[ . 1 . 2]" 1
573 1 127 VAL H 1 128 PHE H . . 5.000 2.801 2.758 2.898 . 0 0 "[ . 1 . 2]" 1
574 1 126 LYS H 1 128 PHE H . . 5.000 4.221 3.846 4.445 . 0 0 "[ . 1 . 2]" 1
575 1 127 VAL HA 1 128 PHE H . . 5.000 3.520 3.485 3.554 . 0 0 "[ . 1 . 2]" 1
576 1 128 PHE H 1 128 PHE QB . . 3.500 2.218 2.055 2.540 . 0 0 "[ . 1 . 2]" 1
577 1 127 VAL HB 1 128 PHE H . . 5.000 2.809 2.541 3.854 . 0 0 "[ . 1 . 2]" 1
578 1 127 VAL QG 1 128 PHE H . . 5.000 3.122 1.994 3.342 . 0 0 "[ . 1 . 2]" 1
579 1 128 PHE H 1 128 PHE QD . . 4.200 3.541 2.337 4.199 . 0 0 "[ . 1 . 2]" 1
580 1 128 PHE H 1 129 SER H . . 5.000 2.416 2.342 2.597 . 0 0 "[ . 1 . 2]" 1
581 1 128 PHE HA 1 129 SER H . . 5.000 3.388 3.287 3.433 . 0 0 "[ . 1 . 2]" 1
582 1 128 PHE QB 1 129 SER H . . 5.000 3.282 3.036 3.746 . 0 0 "[ . 1 . 2]" 1
583 1 126 LYS HB2 1 129 SER H . . 4.200 4.626 4.505 4.779 0.579 6 1 "[ .+ 1 . 2]" 1
584 1 126 LYS HB3 1 129 SER H . . 5.200 5.296 5.219 5.395 0.195 4 0 "[ . 1 . 2]" 1
585 1 126 LYS QG 1 129 SER H . . 5.000 4.890 4.821 4.975 . 0 0 "[ . 1 . 2]" 1
586 1 128 PHE QD 1 129 SER H . . 6.000 3.913 3.151 4.584 . 0 0 "[ . 1 . 2]" 1
587 1 130 ILE H 1 131 LEU H . . 3.500 2.472 2.305 2.629 . 0 0 "[ . 1 . 2]" 1
588 1 129 SER H 1 130 ILE H . . 3.500 2.468 2.162 2.599 . 0 0 "[ . 1 . 2]" 1
589 1 129 SER HA 1 130 ILE H . . 5.000 3.529 3.443 3.568 . 0 0 "[ . 1 . 2]" 1
590 1 129 SER QB 1 130 ILE H . . 5.000 2.645 2.146 3.426 . 0 0 "[ . 1 . 2]" 1
591 1 130 ILE H 1 130 ILE HB . . 3.500 2.689 2.509 3.451 . 0 0 "[ . 1 . 2]" 1
592 1 130 ILE H 1 130 ILE MD . . 5.000 3.283 2.261 4.244 . 0 0 "[ . 1 . 2]" 1
593 1 130 ILE HA 1 131 LEU H . . 5.000 3.553 3.502 3.571 . 0 0 "[ . 1 . 2]" 1
594 1 130 ILE HB 1 131 LEU H . . 5.000 2.559 2.111 4.103 . 0 0 "[ . 1 . 2]" 1
595 1 131 LEU H 1 131 LEU QB . . 3.500 2.253 2.026 2.976 . 0 0 "[ . 1 . 2]" 1
596 1 130 ILE MG 1 131 LEU H . . 5.000 3.315 1.959 3.996 . 0 0 "[ . 1 . 2]" 1
597 1 131 LEU H 1 131 LEU QD . . 3.500 3.231 2.224 3.723 0.223 19 0 "[ . 1 . 2]" 1
598 1 131 LEU H 1 132 GLY H . . 5.000 2.476 2.124 2.586 . 0 0 "[ . 1 . 2]" 1
599 1 131 LEU HA 1 132 GLY H . . 5.000 3.448 3.440 3.472 . 0 0 "[ . 1 . 2]" 1
600 1 128 PHE HA 1 132 GLY H . . 5.000 3.208 2.989 3.726 . 0 0 "[ . 1 . 2]" 1
601 1 131 LEU QB 1 132 GLY H . . 5.000 3.048 2.861 3.539 . 0 0 "[ . 1 . 2]" 1
602 1 131 LEU QD 1 132 GLY H . . 5.000 3.788 3.292 4.280 . 0 0 "[ . 1 . 2]" 1
603 1 133 ILE H 1 133 ILE QG . . 5.000 3.078 1.897 4.181 . 0 0 "[ . 1 . 2]" 1
604 1 133 ILE H 1 133 ILE MD . . 5.000 3.981 3.492 4.671 . 0 0 "[ . 1 . 2]" 1
605 1 132 GLY HA2 1 133 ILE H . . 5.000 2.957 2.797 3.401 . 0 0 "[ . 1 . 2]" 1
606 1 132 GLY HA3 1 133 ILE H . . 5.000 3.472 3.128 3.545 . 0 0 "[ . 1 . 2]" 1
607 1 133 ILE H 1 134 THR H . . 5.000 4.489 4.420 4.596 . 0 0 "[ . 1 . 2]" 1
608 1 133 ILE HA 1 134 THR H . . 5.000 2.226 2.190 2.264 . 0 0 "[ . 1 . 2]" 1
609 1 133 ILE HB 1 134 THR H . . 5.000 3.647 2.745 4.093 . 0 0 "[ . 1 . 2]" 1
610 1 133 ILE MD 1 134 THR H . . 5.000 3.270 1.906 4.960 . 0 0 "[ . 1 . 2]" 1
611 1 134 THR H 1 135 MET H . . 6.000 4.611 4.574 4.633 . 0 0 "[ . 1 . 2]" 1
612 1 135 MET H 1 135 MET ME . . 6.000 4.331 2.159 5.868 . 0 0 "[ . 1 . 2]" 1
613 1 134 THR HA 1 135 MET H . . 5.000 2.315 2.183 2.550 . 0 0 "[ . 1 . 2]" 1
614 1 134 THR HB 1 135 MET H . . 5.000 3.058 2.335 3.826 . 0 0 "[ . 1 . 2]" 1
615 1 135 MET H 1 136 GLU H . . 6.000 2.631 2.343 2.744 . 0 0 "[ . 1 . 2]" 1
616 1 135 MET HA 1 136 GLU H . . 5.000 3.467 3.397 3.515 . 0 0 "[ . 1 . 2]" 1
617 1 136 GLU H 1 136 GLU QG . . 5.000 3.604 1.989 4.114 . 0 0 "[ . 1 . 2]" 1
618 1 136 GLU HA 1 137 SER H . . 5.000 3.065 2.826 3.509 . 0 0 "[ . 1 . 2]" 1
619 1 136 GLU QB 1 137 SER H . . 5.000 3.497 2.718 4.039 . 0 0 "[ . 1 . 2]" 1
620 1 136 GLU QG 1 137 SER H . . 6.000 4.377 3.642 4.713 . 0 0 "[ . 1 . 2]" 1
621 1 137 SER H 1 138 ASP H . . 5.000 4.457 4.269 4.612 . 0 0 "[ . 1 . 2]" 1
622 1 137 SER HA 1 138 ASP H . . 3.500 2.334 2.148 2.718 . 0 0 "[ . 1 . 2]" 1
623 1 137 SER QB 1 138 ASP H . . 5.000 2.977 2.182 3.582 . 0 0 "[ . 1 . 2]" 1
624 1 138 ASP H 1 138 ASP HB2 . . 4.000 3.589 3.511 3.749 . 0 0 "[ . 1 . 2]" 1
625 1 138 ASP H 1 138 ASP HB3 . . 4.000 2.401 2.208 3.164 . 0 0 "[ . 1 . 2]" 1
626 1 138 ASP H 1 139 ILE H . . 5.000 4.593 4.489 4.647 . 0 0 "[ . 1 . 2]" 1
627 1 103 ILE H 1 139 ILE H . . 3.500 3.080 2.521 3.509 0.009 2 0 "[ . 1 . 2]" 1
628 1 139 ILE H 1 139 ILE QG . . 5.000 2.074 1.907 2.401 . 0 0 "[ . 1 . 2]" 1
629 1 139 ILE H 1 139 ILE MD . . 5.000 3.721 3.454 3.934 . 0 0 "[ . 1 . 2]" 1
630 1 138 ASP HA 1 139 ILE H . . 3.000 2.398 2.283 2.654 . 0 0 "[ . 1 . 2]" 1
631 1 138 ASP HB2 1 139 ILE H . . 5.000 2.621 2.258 2.842 . 0 0 "[ . 1 . 2]" 1
632 1 138 ASP HB3 1 139 ILE H . . 5.000 3.952 3.674 4.104 . 0 0 "[ . 1 . 2]" 1
633 1 104 LYS HA 1 139 ILE H . . 5.000 3.389 3.037 3.740 . 0 0 "[ . 1 . 2]" 1
634 1 139 ILE H 1 140 ASP H . . 6.000 4.544 4.442 4.572 . 0 0 "[ . 1 . 2]" 1
635 1 139 ILE HA 1 140 ASP H . . 3.500 2.349 2.264 2.443 . 0 0 "[ . 1 . 2]" 1
636 1 139 ILE HB 1 140 ASP H . . 5.000 2.531 2.314 2.788 . 0 0 "[ . 1 . 2]" 1
637 1 139 ILE QG 1 140 ASP H . . 5.000 3.893 3.664 4.223 . 0 0 "[ . 1 . 2]" 1
638 1 139 ILE MG 1 140 ASP H . . 5.000 3.757 3.541 4.038 . 0 0 "[ . 1 . 2]" 1
639 1 139 ILE MD 1 140 ASP H . . 5.000 3.436 2.810 4.595 . 0 0 "[ . 1 . 2]" 1
640 1 141 LEU H 1 142 ALA H . . 6.000 2.966 2.867 3.042 . 0 0 "[ . 1 . 2]" 1
641 1 140 ASP H 1 141 LEU H . . 6.000 4.375 4.361 4.385 . 0 0 "[ . 1 . 2]" 1
642 1 141 LEU H 1 141 LEU HB2 . . 3.500 2.713 2.074 3.576 0.076 6 0 "[ . 1 . 2]" 1
643 1 141 LEU H 1 141 LEU HB3 . . 3.500 2.845 2.241 3.380 . 0 0 "[ . 1 . 2]" 1
644 1 141 LEU H 1 141 LEU HG . . 5.000 3.518 2.156 4.496 . 0 0 "[ . 1 . 2]" 1
645 1 141 LEU H 1 141 LEU QD . . 5.000 3.070 1.963 3.739 . 0 0 "[ . 1 . 2]" 1
646 1 140 ASP HA 1 141 LEU H . . 5.000 2.620 2.592 2.656 . 0 0 "[ . 1 . 2]" 1
647 1 140 ASP HB2 1 141 LEU H . . 5.000 2.493 1.942 3.745 . 0 0 "[ . 1 . 2]" 1
648 1 140 ASP HB3 1 141 LEU H . . 5.000 3.147 1.980 3.639 . 0 0 "[ . 1 . 2]" 1
649 1 142 ALA H 1 144 PHE H . . 5.000 4.387 4.135 4.771 . 0 0 "[ . 1 . 2]" 1
650 1 142 ALA H 1 143 THR H . . 5.000 2.769 2.658 2.861 . 0 0 "[ . 1 . 2]" 1
651 1 141 LEU HG 1 142 ALA H . . 5.000 3.631 1.934 5.015 0.015 4 0 "[ . 1 . 2]" 1
652 1 141 LEU QD 1 142 ALA H . . 5.000 3.222 2.550 3.985 . 0 0 "[ . 1 . 2]" 1
653 1 143 THR H 1 144 PHE H . . 5.000 2.853 2.742 2.962 . 0 0 "[ . 1 . 2]" 1
654 1 143 THR H 1 143 THR HB . . 3.500 2.725 2.532 3.615 0.115 19 0 "[ . 1 . 2]" 1
655 1 143 THR H 1 143 THR HG1 . . 5.000 2.995 2.036 3.516 . 0 0 "[ . 1 . 2]" 1
656 1 142 ALA HA 1 143 THR H . . 3.500 3.547 3.527 3.564 0.064 19 0 "[ . 1 . 2]" 1
657 1 142 ALA MB 1 143 THR H . . 5.000 2.497 2.387 2.738 . 0 0 "[ . 1 . 2]" 1
658 1 144 PHE H 1 145 LEU H . . 5.000 2.631 2.527 2.768 . 0 0 "[ . 1 . 2]" 1
659 1 144 PHE H 1 144 PHE QB . . 3.500 2.232 2.046 2.640 . 0 0 "[ . 1 . 2]" 1
660 1 144 PHE H 1 144 PHE QD . . 5.000 3.542 2.434 4.183 . 0 0 "[ . 1 . 2]" 1
661 1 143 THR HA 1 144 PHE H . . 3.500 3.549 3.514 3.572 0.072 14 0 "[ . 1 . 2]" 1
662 1 143 THR HB 1 144 PHE H . . 5.000 2.523 2.130 3.382 . 0 0 "[ . 1 . 2]" 1
663 1 143 THR MG 1 144 PHE H . . 5.000 3.535 2.995 3.900 . 0 0 "[ . 1 . 2]" 1
664 1 145 LEU H 1 146 LYS H . . 6.000 2.766 2.640 2.950 . 0 0 "[ . 1 . 2]" 1
665 1 145 LEU H 1 145 LEU QD . . 5.000 3.470 2.798 3.727 . 0 0 "[ . 1 . 2]" 1
666 1 144 PHE HA 1 145 LEU H . . 5.000 3.510 3.471 3.554 . 0 0 "[ . 1 . 2]" 1
667 1 144 PHE QB 1 145 LEU H . . 6.000 2.874 2.657 3.329 . 0 0 "[ . 1 . 2]" 1
668 1 144 PHE QD 1 145 LEU H . . 6.000 3.644 2.955 4.525 . 0 0 "[ . 1 . 2]" 1
669 1 146 LYS H 1 147 LEU H . . 6.000 2.563 2.423 2.709 . 0 0 "[ . 1 . 2]" 1
670 1 146 LYS H 1 146 LYS QB . . 3.500 2.482 2.116 2.651 . 0 0 "[ . 1 . 2]" 1
671 1 145 LEU HA 1 146 LYS H . . 5.000 3.553 3.523 3.570 . 0 0 "[ . 1 . 2]" 1
672 1 145 LEU QB 1 146 LYS H . . 3.500 2.440 2.146 2.733 . 0 0 "[ . 1 . 2]" 1
673 1 145 LEU QD 1 146 LYS H . . 6.000 3.738 2.524 4.145 . 0 0 "[ . 1 . 2]" 1
674 1 147 LEU H 1 148 VAL H . . 6.000 2.797 2.632 2.940 . 0 0 "[ . 1 . 2]" 1
675 1 146 LYS HA 1 147 LEU H . . 6.000 3.504 3.468 3.555 . 0 0 "[ . 1 . 2]" 1
676 1 145 LEU HA 1 147 LEU H . . 6.000 4.372 4.029 4.919 . 0 0 "[ . 1 . 2]" 1
677 1 148 VAL H 1 148 VAL HB . . 4.000 2.487 2.401 2.583 . 0 0 "[ . 1 . 2]" 1
678 1 147 LEU HA 1 148 VAL H . . 3.500 3.567 3.549 3.571 0.071 19 0 "[ . 1 . 2]" 1
679 1 147 LEU QB 1 148 VAL H . . 3.500 2.223 1.967 2.563 . 0 0 "[ . 1 . 2]" 1
680 1 147 LEU HG 1 148 VAL H . . 4.000 3.622 2.642 4.178 0.178 8 0 "[ . 1 . 2]" 1
681 1 147 LEU QD 1 148 VAL H . . 3.500 2.955 2.176 3.548 0.048 1 0 "[ . 1 . 2]" 1
682 1 149 ALA H 1 150 LEU H . . 5.000 2.720 2.452 2.956 . 0 0 "[ . 1 . 2]" 1
683 1 150 LEU H 1 150 LEU QB . . 3.500 2.141 2.026 2.367 . 0 0 "[ . 1 . 2]" 1
684 1 104 LYS HA 1 138 ASP HA . . 3.000 2.167 1.996 2.424 . 0 0 "[ . 1 . 2]" 1
685 1 18 CYS HB3 1 38 LEU HB3 . . 2.900 2.922 2.794 2.974 0.074 18 0 "[ . 1 . 2]" 1
686 1 20 ASN H 1 72 LEU QD . . 4.300 4.410 4.334 4.508 0.208 18 0 "[ . 1 . 2]" 1
687 1 18 CYS HB2 1 72 LEU QB . . 4.000 3.879 3.422 4.063 0.063 19 0 "[ . 1 . 2]" 1
688 1 31 ASP HA 1 64 THR HA . . 2.000 2.146 2.062 2.217 0.217 13 0 "[ . 1 . 2]" 1
689 1 29 LYS HA 1 66 GLN HA . . 2.900 2.999 2.907 3.187 0.287 5 0 "[ . 1 . 2]" 1
690 1 32 VAL H 1 64 THR HA . . 4.000 3.917 3.247 4.074 0.074 20 0 "[ . 1 . 2]" 1
691 1 22 TYR QD 1 38 LEU MD2 . . 4.200 3.160 1.972 4.220 0.020 7 0 "[ . 1 . 2]" 1
692 1 12 THR H 1 76 ARG QD . . 4.000 4.001 3.645 4.097 0.097 15 0 "[ . 1 . 2]" 1
693 1 39 ILE MD 1 48 GLU HA . . 4.000 3.411 2.476 4.015 0.015 10 0 "[ . 1 . 2]" 1
694 1 19 PHE QE 1 30 ILE MG . . 4.000 3.408 1.918 4.029 0.029 17 0 "[ . 1 . 2]" 1
695 1 22 TYR HB3 1 34 GLN HA . . 5.000 4.557 3.483 5.052 0.052 5 0 "[ . 1 . 2]" 1
696 1 54 TYR H 1 78 GLN QB . . 5.000 5.066 5.016 5.118 0.118 14 0 "[ . 1 . 2]" 1
697 1 15 ILE MD 1 73 ILE MD . . 3.800 2.928 1.790 3.860 0.060 10 0 "[ . 1 . 2]" 1
698 1 35 LEU MD1 1 52 ASN HB2 . . 4.700 4.733 4.652 4.801 0.101 12 0 "[ . 1 . 2]" 1
699 1 39 ILE MD 1 51 VAL QG . . 4.600 2.361 1.687 4.615 0.015 14 0 "[ . 1 . 2]" 1
700 1 30 ILE H 1 66 GLN HA . . 3.500 2.539 2.242 3.084 . 0 0 "[ . 1 . 2]" 1
701 1 55 ILE MD 1 71 GLU H . . 4.500 3.972 2.458 4.647 0.147 19 0 "[ . 1 . 2]" 1
702 1 11 ASN QB 1 76 ARG QD . . 4.000 2.313 1.887 3.725 . 0 0 "[ . 1 . 2]" 1
703 1 11 ASN QD 1 76 ARG QD . . 5.000 4.104 3.456 4.963 . 0 0 "[ . 1 . 2]" 1
704 1 35 LEU MD1 1 68 GLU HG3 . . 5.000 4.819 4.153 5.051 0.051 11 0 "[ . 1 . 2]" 1
705 1 5 ILE MD 1 6 GLU H . . 5.000 4.424 2.872 5.559 0.559 20 1 "[ . 1 . +]" 1
706 1 102 LYS HA 1 140 ASP HA . . 3.000 3.028 2.729 3.086 0.086 12 0 "[ . 1 . 2]" 1
707 1 117 ASP HA 1 118 LYS H . . 3.400 3.494 3.421 3.566 0.166 10 0 "[ . 1 . 2]" 1
708 1 131 LEU QD 1 146 LYS H . . 4.000 3.367 2.601 4.077 0.077 14 0 "[ . 1 . 2]" 1
709 1 88 LEU QD 1 144 PHE H . . 4.500 4.423 3.810 4.649 0.149 11 0 "[ . 1 . 2]" 1
710 1 140 ASP H 1 143 THR HA . . 4.100 4.269 4.221 4.392 0.292 19 0 "[ . 1 . 2]" 1
711 1 132 GLY HA2 1 134 THR H . . 6.000 6.090 6.004 6.176 0.176 6 0 "[ . 1 . 2]" 1
712 1 130 ILE H 1 146 LYS QB . . 4.000 4.222 4.110 4.443 0.443 15 0 "[ . 1 . 2]" 1
713 1 125 GLU HA 1 129 SER H . . 6.000 5.206 4.686 5.748 . 0 0 "[ . 1 . 2]" 1
714 1 120 THR H 1 122 GLU HG2 . . 3.500 3.789 3.752 3.821 0.321 4 0 "[ . 1 . 2]" 1
715 1 120 THR H 1 122 GLU HB2 . . 5.000 4.098 3.988 4.166 . 0 0 "[ . 1 . 2]" 1
716 1 120 THR H 1 122 GLU QB . . 4.000 4.015 3.912 4.079 0.079 4 0 "[ . 1 . 2]" 1
717 1 105 ALA H 1 138 ASP HA . . 3.800 3.321 2.602 3.824 0.024 15 0 "[ . 1 . 2]" 1
718 1 105 ALA H 1 137 SER HA . . 5.600 5.596 5.387 5.655 0.055 4 0 "[ . 1 . 2]" 1
719 1 95 PHE H 1 111 ASN QB . . 4.000 4.007 3.337 4.153 0.153 13 0 "[ . 1 . 2]" 1
720 1 91 ALA HA 1 115 VAL QG . . 4.000 3.986 3.464 4.117 0.117 9 0 "[ . 1 . 2]" 1
721 1 88 LEU QD 1 91 ALA H . . 4.500 4.514 4.224 4.665 0.165 5 0 "[ . 1 . 2]" 1
722 1 88 LEU QD 1 92 PHE H . . 5.200 4.304 3.310 5.231 0.031 9 0 "[ . 1 . 2]" 1
723 1 91 ALA MB 1 94 VAL H . . 5.800 4.490 4.273 5.021 . 0 0 "[ . 1 . 2]" 1
724 1 92 PHE HB2 1 95 PHE H . . 5.100 5.333 4.629 5.482 0.382 14 0 "[ . 1 . 2]" 1
725 1 92 PHE HB3 1 95 PHE H . . 5.000 4.907 4.656 5.278 0.278 13 0 "[ . 1 . 2]" 1
726 1 108 LEU QD 1 124 VAL HB . . 3.700 3.781 3.665 3.880 0.180 7 0 "[ . 1 . 2]" 1
727 1 108 LEU QD 1 139 ILE HB . . 5.500 3.315 2.625 4.067 . 0 0 "[ . 1 . 2]" 1
728 1 109 ALA MB 1 119 MET QB . . 3.600 3.387 1.973 3.734 0.134 20 0 "[ . 1 . 2]" 1
729 1 88 LEU QD 1 144 PHE QD . . 4.000 2.299 1.871 3.059 . 0 0 "[ . 1 . 2]" 1
730 1 88 LEU QD 1 144 PHE QE . . 4.000 3.274 2.305 3.938 . 0 0 "[ . 1 . 2]" 1
731 1 89 ARG H 1 101 GLY QA . . 4.000 4.912 4.870 5.012 1.012 13 20 [********-***+*******] 1
732 1 91 ALA H 1 115 VAL HA . . 4.000 4.886 4.807 4.990 0.990 1 20 [+************-******] 1
733 1 131 LEU H 1 146 LYS HA . . 6.000 5.972 5.307 6.113 0.113 9 0 "[ . 1 . 2]" 1
734 1 131 LEU QD 1 146 LYS QB . . 4.000 2.659 1.811 3.454 . 0 0 "[ . 1 . 2]" 1
735 1 131 LEU QD 1 143 THR HA . . 4.000 2.067 1.764 3.006 . 0 0 "[ . 1 . 2]" 1
736 1 139 ILE HB 1 143 THR MG . . 3.600 2.198 2.006 2.558 . 0 0 "[ . 1 . 2]" 1
737 1 134 THR H 1 137 SER QB . . 3.500 3.065 2.185 3.535 0.035 19 0 "[ . 1 . 2]" 1
738 1 135 MET HA 1 137 SER H . . 4.600 3.772 3.443 4.187 . 0 0 "[ . 1 . 2]" 1
739 1 104 LYS QG 1 138 ASP HB2 . . 3.200 3.196 3.089 3.229 0.029 19 0 "[ . 1 . 2]" 1
740 1 139 ILE HB 1 143 THR HB . . 2.400 2.203 1.994 2.595 0.195 19 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 73
_Distance_constraint_stats_list.Viol_count 542
_Distance_constraint_stats_list.Viol_total 945.598
_Distance_constraint_stats_list.Viol_max 0.703
_Distance_constraint_stats_list.Viol_rms 0.0689
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0324
_Distance_constraint_stats_list.Viol_average_violations_only 0.0872
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 14 LYS 0.311 0.077 13 0 "[ . 1 . 2]"
1 15 ILE 0.250 0.079 4 0 "[ . 1 . 2]"
1 16 ARG 0.114 0.030 13 0 "[ . 1 . 2]"
1 17 ASP 0.312 0.058 18 0 "[ . 1 . 2]"
1 18 CYS 6.453 0.703 2 1 "[ + . 1 . 2]"
1 19 PHE 0.336 0.079 4 0 "[ . 1 . 2]"
1 20 ASN 0.114 0.030 13 0 "[ . 1 . 2]"
1 21 PHE 0.312 0.058 18 0 "[ . 1 . 2]"
1 22 TYR 6.142 0.703 2 1 "[ + . 1 . 2]"
1 23 ASP 0.086 0.031 17 0 "[ . 1 . 2]"
1 30 ILE 3.077 0.214 19 0 "[ . 1 . 2]"
1 36 GLY 0.911 0.117 15 0 "[ . 1 . 2]"
1 37 THR 0.324 0.095 15 0 "[ . 1 . 2]"
1 38 LEU 1.240 0.274 19 0 "[ . 1 . 2]"
1 40 ARG 0.911 0.117 15 0 "[ . 1 . 2]"
1 41 SER 0.324 0.095 15 0 "[ . 1 . 2]"
1 42 LEU 1.240 0.274 19 0 "[ . 1 . 2]"
1 50 GLU 1.547 0.204 13 0 "[ . 1 . 2]"
1 51 VAL 0.873 0.101 15 0 "[ . 1 . 2]"
1 52 ASN 0.215 0.050 11 0 "[ . 1 . 2]"
1 53 SER 0.057 0.030 6 0 "[ . 1 . 2]"
1 54 TYR 2.616 0.204 13 0 "[ . 1 . 2]"
1 55 ILE 0.873 0.101 15 0 "[ . 1 . 2]"
1 56 LYS 0.215 0.050 11 0 "[ . 1 . 2]"
1 57 GLU 0.057 0.030 6 0 "[ . 1 . 2]"
1 58 PHE 1.069 0.129 13 0 "[ . 1 . 2]"
1 65 PHE 3.077 0.214 19 0 "[ . 1 . 2]"
1 69 GLN 3.657 0.250 15 0 "[ . 1 . 2]"
1 70 PHE 0.030 0.023 18 0 "[ . 1 . 2]"
1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LEU 3.122 0.300 2 0 "[ . 1 . 2]"
1 73 ILE 3.657 0.250 15 0 "[ . 1 . 2]"
1 74 MET 0.030 0.023 18 0 "[ . 1 . 2]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ARG 3.122 0.300 2 0 "[ . 1 . 2]"
1 104 LYS 0.133 0.044 20 0 "[ . 1 . 2]"
1 106 SER 0.094 0.026 6 0 "[ . 1 . 2]"
1 107 ASP 0.302 0.066 2 0 "[ . 1 . 2]"
1 108 LEU 0.133 0.044 20 0 "[ . 1 . 2]"
1 110 HIS 0.094 0.026 6 0 "[ . 1 . 2]"
1 111 ASN 0.302 0.066 2 0 "[ . 1 . 2]"
1 120 THR 5.847 0.390 20 0 "[ . 1 . 2]"
1 121 LYS 0.038 0.030 4 0 "[ . 1 . 2]"
1 122 GLU 3.028 0.239 16 0 "[ . 1 . 2]"
1 123 GLU 0.952 0.175 6 0 "[ . 1 . 2]"
1 124 VAL 8.980 0.390 20 0 "[ . 1 . 2]"
1 125 GLU 0.038 0.030 4 0 "[ . 1 . 2]"
1 126 LYS 4.411 0.239 16 0 "[ . 1 . 2]"
1 127 VAL 3.380 0.240 12 0 "[ . 1 . 2]"
1 128 PHE 3.133 0.254 6 0 "[ . 1 . 2]"
1 130 ILE 1.383 0.172 7 0 "[ . 1 . 2]"
1 131 LEU 2.427 0.240 12 0 "[ . 1 . 2]"
1 140 ASP 1.615 0.150 1 0 "[ . 1 . 2]"
1 141 LEU 2.183 0.210 6 0 "[ . 1 . 2]"
1 142 ALA 1.364 0.151 8 0 "[ . 1 . 2]"
1 143 THR 0.686 0.134 7 0 "[ . 1 . 2]"
1 144 PHE 1.649 0.150 1 0 "[ . 1 . 2]"
1 145 LEU 2.423 0.210 6 0 "[ . 1 . 2]"
1 146 LYS 1.848 0.151 8 0 "[ . 1 . 2]"
1 147 LEU 0.686 0.134 7 0 "[ . 1 . 2]"
1 148 VAL 0.034 0.034 8 0 "[ . 1 . 2]"
1 149 ALA 0.240 0.033 14 0 "[ . 1 . 2]"
1 150 LEU 0.484 0.103 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 14 LYS O 1 18 CYS H . . 2.300 2.003 1.783 2.123 . 0 0 "[ . 1 . 2]" 2
2 1 14 LYS O 1 18 CYS N . . 3.000 2.966 2.732 3.077 0.077 13 0 "[ . 1 . 2]" 2
3 1 15 ILE O 1 19 PHE H . . 2.300 2.019 1.799 2.246 . 0 0 "[ . 1 . 2]" 2
4 1 15 ILE O 1 19 PHE N . . 3.000 2.900 2.742 3.079 0.079 4 0 "[ . 1 . 2]" 2
5 1 16 ARG O 1 20 ASN H . . 2.300 1.974 1.823 2.126 . 0 0 "[ . 1 . 2]" 2
6 1 16 ARG O 1 20 ASN N . . 3.000 2.908 2.722 3.030 0.030 13 0 "[ . 1 . 2]" 2
7 1 17 ASP O 1 21 PHE H . . 2.300 2.236 2.002 2.358 0.058 18 0 "[ . 1 . 2]" 2
8 1 17 ASP O 1 21 PHE N . . 3.000 2.938 2.720 3.035 0.035 18 0 "[ . 1 . 2]" 2
9 1 18 CYS O 1 22 TYR H . . 2.300 2.607 2.424 3.003 0.703 2 1 "[ + . 1 . 2]" 2
10 1 18 CYS O 1 22 TYR N . . 4.000 3.527 3.367 3.878 . 0 0 "[ . 1 . 2]" 2
11 1 19 PHE O 1 23 ASP H . . 2.300 1.997 1.831 2.153 . 0 0 "[ . 1 . 2]" 2
12 1 19 PHE O 1 23 ASP N . . 3.000 2.899 2.743 3.031 0.031 17 0 "[ . 1 . 2]" 2
13 1 30 ILE H 1 65 PHE O . . 2.000 2.109 1.760 2.214 0.214 19 0 "[ . 1 . 2]" 2
14 1 30 ILE N 1 65 PHE O . . 3.000 3.011 2.734 3.090 0.090 19 0 "[ . 1 . 2]" 2
15 1 30 ILE O 1 65 PHE H . . 2.000 1.882 1.781 2.033 0.033 9 0 "[ . 1 . 2]" 2
16 1 30 ILE O 1 65 PHE N . . 3.000 2.747 2.628 2.943 . 0 0 "[ . 1 . 2]" 2
17 1 36 GLY O 1 40 ARG H . . 2.300 2.164 1.961 2.279 . 0 0 "[ . 1 . 2]" 2
18 1 36 GLY O 1 40 ARG N . . 3.000 2.994 2.740 3.117 0.117 15 0 "[ . 1 . 2]" 2
19 1 37 THR O 1 41 SER H . . 2.300 2.108 1.793 2.359 0.059 19 0 "[ . 1 . 2]" 2
20 1 37 THR O 1 41 SER N . . 3.000 2.901 2.708 3.095 0.095 15 0 "[ . 1 . 2]" 2
21 1 38 LEU O 1 42 LEU H . . 2.300 2.064 1.792 2.296 . 0 0 "[ . 1 . 2]" 2
22 1 38 LEU O 1 42 LEU N . . 3.000 3.013 2.744 3.274 0.274 19 0 "[ . 1 . 2]" 2
23 1 50 GLU O 1 54 TYR H . . 2.300 2.363 2.115 2.504 0.204 13 0 "[ . 1 . 2]" 2
24 1 51 VAL O 1 55 ILE H . . 2.300 2.086 1.962 2.150 . 0 0 "[ . 1 . 2]" 2
25 1 51 VAL O 1 55 ILE N . . 3.000 3.039 2.909 3.101 0.101 15 0 "[ . 1 . 2]" 2
26 1 52 ASN O 1 56 LYS H . . 2.300 2.043 1.799 2.301 0.001 20 0 "[ . 1 . 2]" 2
27 1 52 ASN O 1 56 LYS N . . 3.000 2.895 2.729 3.050 0.050 11 0 "[ . 1 . 2]" 2
28 1 53 SER O 1 57 GLU H . . 2.300 1.978 1.792 2.300 . 0 0 "[ . 1 . 2]" 2
29 1 53 SER O 1 57 GLU N . . 3.000 2.866 2.728 3.030 0.030 6 0 "[ . 1 . 2]" 2
30 1 54 TYR O 1 58 PHE H . . 2.300 2.237 2.082 2.313 0.013 19 0 "[ . 1 . 2]" 2
31 1 54 TYR O 1 58 PHE N . . 3.000 3.043 2.813 3.129 0.129 13 0 "[ . 1 . 2]" 2
32 1 69 GLN O 1 73 ILE H . . 2.300 2.304 2.221 2.395 0.095 13 0 "[ . 1 . 2]" 2
33 1 69 GLN O 1 73 ILE N . . 3.100 3.263 3.192 3.350 0.250 15 0 "[ . 1 . 2]" 2
34 1 70 PHE O 1 74 MET H . . 2.300 1.922 1.805 2.082 . 0 0 "[ . 1 . 2]" 2
35 1 70 PHE O 1 74 MET N . . 3.000 2.813 2.691 3.023 0.023 18 0 "[ . 1 . 2]" 2
36 1 71 GLU O 1 75 GLU H . . 2.300 2.000 1.809 2.233 . 0 0 "[ . 1 . 2]" 2
37 1 71 GLU O 1 75 GLU N . . 3.000 2.752 2.689 2.989 . 0 0 "[ . 1 . 2]" 2
38 1 72 LEU O 1 76 ARG H . . 2.300 2.229 2.120 2.391 0.091 2 0 "[ . 1 . 2]" 2
39 1 72 LEU O 1 76 ARG N . . 3.000 3.146 3.063 3.300 0.300 2 0 "[ . 1 . 2]" 2
40 1 104 LYS O 1 108 LEU H . . 2.300 2.059 1.877 2.292 . 0 0 "[ . 1 . 2]" 2
41 1 104 LYS O 1 108 LEU N . . 3.000 2.930 2.718 3.044 0.044 20 0 "[ . 1 . 2]" 2
42 1 106 SER O 1 110 HIS H . . 2.300 2.030 1.807 2.286 . 0 0 "[ . 1 . 2]" 2
43 1 106 SER O 1 110 HIS N . . 3.000 2.903 2.719 3.026 0.026 6 0 "[ . 1 . 2]" 2
44 1 107 ASP O 1 111 ASN H . . 2.300 2.010 1.818 2.160 . 0 0 "[ . 1 . 2]" 2
45 1 107 ASP O 1 111 ASN N . . 3.000 2.964 2.763 3.066 0.066 2 0 "[ . 1 . 2]" 2
46 1 120 THR O 1 124 VAL H . . 2.500 2.346 2.275 2.456 . 0 0 "[ . 1 . 2]" 2
47 1 120 THR O 1 124 VAL N . . 3.000 3.292 3.195 3.390 0.390 20 0 "[ . 1 . 2]" 2
48 1 121 LYS O 1 125 GLU H . . 2.300 2.041 1.895 2.248 . 0 0 "[ . 1 . 2]" 2
49 1 121 LYS O 1 125 GLU N . . 3.000 2.814 2.694 3.030 0.030 4 0 "[ . 1 . 2]" 2
50 1 122 GLU O 1 126 LYS H . . 2.300 2.211 2.144 2.302 0.002 14 0 "[ . 1 . 2]" 2
51 1 122 GLU O 1 126 LYS N . . 3.000 3.151 3.020 3.239 0.239 16 0 "[ . 1 . 2]" 2
52 1 123 GLU O 1 127 VAL H . . 2.300 2.073 1.780 2.213 . 0 0 "[ . 1 . 2]" 2
53 1 123 GLU O 1 127 VAL N . . 3.000 2.996 2.725 3.175 0.175 6 0 "[ . 1 . 2]" 2
54 1 124 VAL O 1 128 PHE H . . 2.300 2.288 2.082 2.381 0.081 6 0 "[ . 1 . 2]" 2
55 1 124 VAL O 1 128 PHE N . . 3.000 3.134 3.044 3.254 0.254 6 0 "[ . 1 . 2]" 2
56 1 126 LYS O 1 130 ILE H . . 2.300 2.146 1.854 2.369 0.069 12 0 "[ . 1 . 2]" 2
57 1 126 LYS O 1 130 ILE N . . 3.000 3.043 2.727 3.172 0.172 7 0 "[ . 1 . 2]" 2
58 1 127 VAL O 1 131 LEU H . . 2.300 2.295 2.124 2.434 0.134 18 0 "[ . 1 . 2]" 2
59 1 127 VAL O 1 131 LEU N . . 3.000 3.081 2.867 3.240 0.240 12 0 "[ . 1 . 2]" 2
60 1 140 ASP O 1 144 PHE H . . 2.300 2.258 2.134 2.350 0.050 20 0 "[ . 1 . 2]" 2
61 1 140 ASP O 1 144 PHE N . . 3.100 3.172 3.044 3.250 0.150 1 0 "[ . 1 . 2]" 2
62 1 141 LEU O 1 145 LEU H . . 2.300 2.229 2.087 2.339 0.039 6 0 "[ . 1 . 2]" 2
63 1 141 LEU O 1 145 LEU N . . 3.000 3.105 3.004 3.210 0.210 6 0 "[ . 1 . 2]" 2
64 1 142 ALA O 1 146 LYS H . . 2.300 2.131 2.041 2.230 . 0 0 "[ . 1 . 2]" 2
65 1 142 ALA O 1 146 LYS N . . 3.000 3.068 3.013 3.151 0.151 8 0 "[ . 1 . 2]" 2
66 1 143 THR O 1 147 LEU H . . 2.300 2.114 1.844 2.303 0.003 20 0 "[ . 1 . 2]" 2
67 1 143 THR O 1 147 LEU N . . 3.000 2.986 2.738 3.134 0.134 7 0 "[ . 1 . 2]" 2
68 1 144 PHE O 1 148 VAL H . . 2.300 1.846 1.781 2.082 . 0 0 "[ . 1 . 2]" 2
69 1 144 PHE O 1 148 VAL N . . 3.000 2.791 2.716 3.034 0.034 8 0 "[ . 1 . 2]" 2
70 1 145 LEU O 1 149 ALA H . . 2.300 2.144 1.865 2.266 . 0 0 "[ . 1 . 2]" 2
71 1 145 LEU O 1 149 ALA N . . 3.000 2.971 2.739 3.033 0.033 14 0 "[ . 1 . 2]" 2
72 1 146 LYS O 1 150 LEU H . . 2.300 2.113 1.986 2.306 0.006 1 0 "[ . 1 . 2]" 2
73 1 146 LYS O 1 150 LEU N . . 3.000 3.018 2.943 3.103 0.103 12 0 "[ . 1 . 2]" 2
stop_
save_
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