NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
574015 |
2m5t   |
19079 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m5t
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 1084
_Distance_constraint_stats_list.Viol_count 2203
_Distance_constraint_stats_list.Viol_total 1936.797
_Distance_constraint_stats_list.Viol_max 0.960
_Distance_constraint_stats_list.Viol_rms 0.0367
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0079
_Distance_constraint_stats_list.Viol_average_violations_only 0.0586
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 SER 0.000 0.000 . 0 "[ . 1 .]"
1 4 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 5 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 6 PHE 0.014 0.009 9 0 "[ . 1 .]"
1 7 VAL 1.091 0.616 13 1 "[ . 1 + .]"
1 8 HIS 1.326 0.073 4 0 "[ . 1 .]"
1 9 THR 0.466 0.117 13 0 "[ . 1 .]"
1 10 GLU 1.650 0.183 2 0 "[ . 1 .]"
1 11 GLN 0.776 0.054 6 0 "[ . 1 .]"
1 12 ALA 1.597 0.183 2 0 "[ . 1 .]"
1 13 ILE 3.357 0.163 13 0 "[ . 1 .]"
1 14 TYR 1.859 0.616 13 1 "[ . 1 + .]"
1 15 LYS 0.080 0.032 10 0 "[ . 1 .]"
1 16 ASN 0.173 0.028 13 0 "[ . 1 .]"
1 17 ALA 0.256 0.027 9 0 "[ . 1 .]"
1 18 HIS 0.633 0.090 11 0 "[ . 1 .]"
1 19 LEU 0.138 0.021 15 0 "[ . 1 .]"
1 20 THR 3.710 0.202 8 0 "[ . 1 .]"
1 21 THR 0.518 0.109 12 0 "[ . 1 .]"
1 22 PRO 4.393 0.202 8 0 "[ . 1 .]"
1 23 ASN 2.410 0.165 4 0 "[ . 1 .]"
1 24 ASP 0.261 0.082 2 0 "[ . 1 .]"
1 25 GLN 4.690 0.960 10 4 "[* . - + *.]"
1 26 THR 1.215 0.085 8 0 "[ . 1 .]"
1 27 ILE 2.016 0.085 8 0 "[ . 1 .]"
1 28 LEU 0.086 0.016 2 0 "[ . 1 .]"
1 29 LEU 0.715 0.093 6 0 "[ . 1 .]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 31 LEU 0.111 0.024 3 0 "[ . 1 .]"
1 32 THR 0.000 0.000 . 0 "[ . 1 .]"
1 33 ALA 0.029 0.015 3 0 "[ . 1 .]"
1 34 ASP 0.374 0.079 3 0 "[ . 1 .]"
1 35 LEU 6.835 0.861 3 4 "[ +*. * - .]"
1 36 GLN 0.533 0.066 13 0 "[ . 1 .]"
1 37 ILE 0.361 0.057 13 0 "[ . 1 .]"
1 38 ASP 1.186 0.077 1 0 "[ . 1 .]"
1 39 GLY 0.832 0.077 1 0 "[ . 1 .]"
1 40 CYS 0.672 0.088 6 0 "[ . 1 .]"
1 41 ASP 3.610 0.430 2 0 "[ . 1 .]"
1 42 GLN 3.957 0.195 2 0 "[ . 1 .]"
1 43 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 44 GLY 0.077 0.045 4 0 "[ . 1 .]"
1 45 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 46 ASP 0.485 0.078 13 0 "[ . 1 .]"
1 47 ASN 2.085 0.461 10 0 "[ . 1 .]"
1 48 ILE 2.180 0.461 10 0 "[ . 1 .]"
1 49 PRO 0.598 0.086 7 0 "[ . 1 .]"
1 50 ASP 2.183 0.206 1 0 "[ . 1 .]"
1 51 CYS 2.141 0.206 1 0 "[ . 1 .]"
1 52 ASP 1.105 0.168 12 0 "[ . 1 .]"
1 53 CYS 0.490 0.199 12 0 "[ . 1 .]"
1 54 THR 1.405 0.152 7 0 "[ . 1 .]"
1 55 SER 0.243 0.054 6 0 "[ . 1 .]"
1 56 GLY 6.260 0.233 15 0 "[ . 1 .]"
1 57 CYS 5.611 0.217 14 0 "[ . 1 .]"
1 58 TYR 5.725 0.170 14 0 "[ . 1 .]"
1 59 TYR 0.088 0.027 14 0 "[ . 1 .]"
1 60 SER 1.950 0.112 10 0 "[ . 1 .]"
1 61 ARG 0.021 0.011 14 0 "[ . 1 .]"
1 62 SER 0.009 0.006 12 0 "[ . 1 .]"
1 63 LEU 1.750 0.084 10 0 "[ . 1 .]"
1 64 ASP 0.677 0.053 2 0 "[ . 1 .]"
1 65 ARG 0.327 0.023 12 0 "[ . 1 .]"
1 66 TYR 1.525 0.125 13 0 "[ . 1 .]"
1 67 ILE 4.377 0.170 14 0 "[ . 1 .]"
1 68 PRO 0.586 0.055 7 0 "[ . 1 .]"
1 69 VAL 7.745 0.162 15 0 "[ . 1 .]"
1 70 GLU 1.237 0.090 5 0 "[ . 1 .]"
1 71 CYS 2.607 0.188 14 0 "[ . 1 .]"
1 72 GLU 2.873 0.112 14 0 "[ . 1 .]"
1 73 ALA 0.535 0.101 12 0 "[ . 1 .]"
1 74 HIS 3.965 0.423 14 0 "[ . 1 .]"
1 75 ASP 0.590 0.101 12 0 "[ . 1 .]"
1 76 TRP 2.263 0.336 2 0 "[ . 1 .]"
1 77 TYR 0.913 0.107 8 0 "[ . 1 .]"
1 78 PRO 0.314 0.121 9 0 "[ . 1 .]"
1 79 VAL 4.972 0.540 2 1 "[ + . 1 .]"
1 80 GLU 1.577 0.197 9 0 "[ . 1 .]"
1 81 GLU 3.181 0.934 12 2 "[ - 1 + .]"
1 82 THR 0.000 0.000 . 0 "[ . 1 .]"
1 84 TYR 0.068 0.021 11 0 "[ . 1 .]"
1 86 PRO 0.071 0.055 5 0 "[ . 1 .]"
1 87 LYS 3.155 0.934 12 2 "[ - 1 + .]"
1 88 HIS 1.008 0.115 9 0 "[ . 1 .]"
1 89 ILE 1.061 0.107 8 0 "[ . 1 .]"
1 90 GLN 1.125 0.540 2 1 "[ + . 1 .]"
1 91 TYR 2.316 0.336 2 0 "[ . 1 .]"
1 92 ASN 4.493 0.213 4 0 "[ . 1 .]"
1 93 LEU 6.336 0.423 14 0 "[ . 1 .]"
1 94 LEU 2.964 0.219 4 0 "[ . 1 .]"
1 95 ILE 2.937 0.209 15 0 "[ . 1 .]"
1 96 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 97 GLU 1.422 0.141 10 0 "[ . 1 .]"
1 98 GLY 0.142 0.038 1 0 "[ . 1 .]"
1 99 PRO 0.493 0.174 8 0 "[ . 1 .]"
1 100 CYS 0.521 0.106 8 0 "[ . 1 .]"
1 101 VAL 0.544 0.163 4 0 "[ . 1 .]"
1 104 ASP 0.020 0.011 14 0 "[ . 1 .]"
1 105 ALA 0.505 0.163 4 0 "[ . 1 .]"
1 106 GLY 1.101 0.131 3 0 "[ . 1 .]"
1 107 GLY 0.666 0.073 3 0 "[ . 1 .]"
1 108 LYS 0.174 0.073 3 0 "[ . 1 .]"
1 109 LEU 5.650 0.233 15 0 "[ . 1 .]"
1 110 LEU 4.386 0.217 14 0 "[ . 1 .]"
1 111 CYS 0.251 0.086 10 0 "[ . 1 .]"
1 112 ARG 0.273 0.091 11 0 "[ . 1 .]"
1 113 HIS 0.334 0.086 7 0 "[ . 1 .]"
1 114 GLY 1.461 0.122 5 0 "[ . 1 .]"
1 115 VAL 1.904 0.122 5 0 "[ . 1 .]"
1 116 ILE 4.439 0.199 12 0 "[ . 1 .]"
1 117 GLY 0.946 0.116 14 0 "[ . 1 .]"
1 118 ILE 4.227 0.672 14 1 "[ . 1 +.]"
1 119 ILE 2.472 0.104 12 0 "[ . 1 .]"
1 120 THR 0.460 0.095 6 0 "[ . 1 .]"
1 121 ALA 0.928 0.084 15 0 "[ . 1 .]"
1 122 GLY 0.012 0.012 10 0 "[ . 1 .]"
1 123 GLY 1.485 0.172 10 0 "[ . 1 .]"
1 124 ASP 1.359 0.416 8 0 "[ . 1 .]"
1 125 GLY 0.284 0.174 8 0 "[ . 1 .]"
1 126 HIS 3.533 0.416 8 0 "[ . 1 .]"
1 127 VAL 3.764 0.189 6 0 "[ . 1 .]"
1 128 ALA 4.649 0.189 6 0 "[ . 1 .]"
1 129 PHE 3.432 0.672 14 1 "[ . 1 +.]"
1 130 THR 2.139 0.145 12 0 "[ . 1 .]"
1 131 ASP 1.982 0.213 4 0 "[ . 1 .]"
1 132 LEU 1.155 0.265 6 0 "[ . 1 .]"
1 133 ARG 2.110 0.148 11 0 "[ . 1 .]"
1 134 PRO 2.968 0.388 12 0 "[ . 1 .]"
1 135 TYR 3.023 0.388 12 0 "[ . 1 .]"
1 136 ASN 0.506 0.104 15 0 "[ . 1 .]"
1 137 ILE 1.161 0.866 15 1 "[ . 1 +]"
1 138 LYS 0.145 0.040 15 0 "[ . 1 .]"
1 139 ALA 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 SER HA 1 3 SER HG . . 4.020 3.325 2.584 3.986 . 0 0 "[ . 1 .]" 1
2 1 3 SER H 1 4 ASP H . . 4.140 3.443 2.131 4.137 . 0 0 "[ . 1 .]" 1
3 1 4 ASP H 1 4 ASP QB . . 3.100 2.792 2.332 3.057 . 0 0 "[ . 1 .]" 1
4 1 4 ASP H 1 5 LEU H . . 4.260 3.668 2.380 4.260 . 0 0 "[ . 1 .]" 1
5 1 4 ASP HA 1 5 LEU H . . 3.080 2.368 2.143 2.942 . 0 0 "[ . 1 .]" 1
6 1 6 PHE QB 1 15 LYS QG . . 4.000 3.291 1.851 4.009 0.009 9 0 "[ . 1 .]" 1
7 1 7 VAL H 1 7 VAL HB . . 3.410 2.776 2.543 3.059 . 0 0 "[ . 1 .]" 1
8 1 7 VAL H 1 7 VAL QG . . 3.530 2.554 2.046 2.871 . 0 0 "[ . 1 .]" 1
9 1 7 VAL HA 1 7 VAL QG . . 3.000 2.113 2.042 2.257 . 0 0 "[ . 1 .]" 1
10 1 7 VAL HA 1 8 HIS H . . 3.230 2.201 2.157 2.296 . 0 0 "[ . 1 .]" 1
11 1 7 VAL HB 1 8 HIS H . . 4.020 4.004 3.726 4.072 0.052 9 0 "[ . 1 .]" 1
12 1 7 VAL MG1 1 8 HIS H . . 4.130 2.562 2.090 3.872 . 0 0 "[ . 1 .]" 1
13 1 7 VAL MG2 1 8 HIS H . . 4.130 3.645 2.016 4.126 . 0 0 "[ . 1 .]" 1
14 1 7 VAL QG 1 8 HIS H . . 3.160 2.243 2.004 2.479 . 0 0 "[ . 1 .]" 1
15 1 7 VAL QG 1 9 THR MG . . 4.340 2.567 2.235 3.990 . 0 0 "[ . 1 .]" 1
16 1 7 VAL H 1 13 ILE MG . . 4.290 3.455 2.981 3.921 . 0 0 "[ . 1 .]" 1
17 1 7 VAL H 1 14 TYR QB . . 4.230 3.975 3.571 4.239 0.009 15 0 "[ . 1 .]" 1
18 1 7 VAL H 1 14 TYR H . . 4.200 3.795 3.313 4.204 0.004 6 0 "[ . 1 .]" 1
19 1 7 VAL HB 1 14 TYR QB . . 4.470 2.935 2.196 4.483 0.013 14 0 "[ . 1 .]" 1
20 1 7 VAL HB 1 14 TYR H . . 5.000 3.680 2.795 5.203 0.203 9 0 "[ . 1 .]" 1
21 1 7 VAL QG 1 14 TYR HD1 . . 4.770 3.642 2.719 5.386 0.616 13 1 "[ . 1 + .]" 1
22 1 7 VAL QG 1 46 ASP QB . . 4.650 2.348 1.860 2.794 . 0 0 "[ . 1 .]" 1
23 1 7 VAL QG 1 48 ILE QG . . 4.300 3.711 2.021 4.311 0.011 10 0 "[ . 1 .]" 1
24 1 7 VAL QG 1 48 ILE MD . . 4.940 3.533 2.096 4.339 . 0 0 "[ . 1 .]" 1
25 1 7 VAL QG 1 108 LYS QG . . 4.770 3.707 2.754 4.717 . 0 0 "[ . 1 .]" 1
26 1 7 VAL QG 1 115 VAL QG . . 4.970 3.275 2.491 4.032 . 0 0 "[ . 1 .]" 1
27 1 7 VAL QG 1 118 ILE MG . . 4.850 3.772 3.240 4.393 . 0 0 "[ . 1 .]" 1
28 1 7 VAL QG 1 132 LEU QD . . 4.860 3.084 2.143 3.681 . 0 0 "[ . 1 .]" 1
29 1 8 HIS H 1 8 HIS QB . . 3.370 2.951 2.631 3.265 . 0 0 "[ . 1 .]" 1
30 1 8 HIS H 1 8 HIS HB2 . . 3.850 3.311 2.686 3.840 . 0 0 "[ . 1 .]" 1
31 1 8 HIS H 1 8 HIS HB3 . . 3.850 3.576 3.061 3.853 0.003 11 0 "[ . 1 .]" 1
32 1 8 HIS H 1 8 HIS HD2 . . 4.370 3.813 3.386 4.414 0.044 7 0 "[ . 1 .]" 1
33 1 8 HIS HA 1 8 HIS HD2 . . 4.500 3.617 2.574 4.569 0.069 4 0 "[ . 1 .]" 1
34 1 8 HIS H 1 9 THR H . . 4.410 4.099 3.774 4.374 . 0 0 "[ . 1 .]" 1
35 1 8 HIS HA 1 9 THR H . . 3.050 2.178 2.140 2.293 . 0 0 "[ . 1 .]" 1
36 1 8 HIS H 1 13 ILE QG . . 4.450 4.483 4.451 4.507 0.057 9 0 "[ . 1 .]" 1
37 1 8 HIS HA 1 13 ILE HA . . 3.740 2.121 1.950 2.705 . 0 0 "[ . 1 .]" 1
38 1 8 HIS HA 1 13 ILE MG . . 4.510 3.721 3.046 4.082 . 0 0 "[ . 1 .]" 1
39 1 8 HIS HA 1 13 ILE MD . . 4.020 2.901 2.548 3.191 . 0 0 "[ . 1 .]" 1
40 1 8 HIS HA 1 13 ILE HG12 . . 4.510 4.290 3.763 4.533 0.023 8 0 "[ . 1 .]" 1
41 1 8 HIS HA 1 13 ILE HG13 . . 4.510 2.590 2.004 2.934 . 0 0 "[ . 1 .]" 1
42 1 8 HIS HD2 1 13 ILE MD . . 4.260 4.051 3.629 4.333 0.073 4 0 "[ . 1 .]" 1
43 1 8 HIS QB 1 13 ILE MD . . 4.740 2.377 1.891 3.253 . 0 0 "[ . 1 .]" 1
44 1 8 HIS QB 1 44 GLY QA . . 4.850 3.817 2.035 4.895 0.045 4 0 "[ . 1 .]" 1
45 1 8 HIS H 1 46 ASP QB . . 3.910 3.610 2.040 3.936 0.026 4 0 "[ . 1 .]" 1
46 1 9 THR H 1 9 THR MG . . 3.330 2.839 2.165 3.333 0.003 5 0 "[ . 1 .]" 1
47 1 9 THR H 1 9 THR HB . . 3.820 3.622 2.591 3.849 0.029 15 0 "[ . 1 .]" 1
48 1 9 THR HA 1 9 THR MG . . 3.070 2.329 2.068 3.187 0.117 13 0 "[ . 1 .]" 1
49 1 9 THR H 1 10 GLU H . . 4.450 4.209 4.020 4.548 0.098 11 0 "[ . 1 .]" 1
50 1 9 THR HA 1 10 GLU H . . 3.170 2.228 2.142 2.683 . 0 0 "[ . 1 .]" 1
51 1 9 THR H 1 13 ILE MD . . 4.390 3.593 3.180 4.118 . 0 0 "[ . 1 .]" 1
52 1 9 THR H 1 14 TYR QE . . 4.150 4.020 3.676 4.147 . 0 0 "[ . 1 .]" 1
53 1 9 THR MG 1 46 ASP QB . . 4.220 2.541 1.918 3.811 . 0 0 "[ . 1 .]" 1
54 1 9 THR MG 1 46 ASP HB2 . . 4.220 2.989 1.974 4.258 0.038 13 0 "[ . 1 .]" 1
55 1 9 THR MG 1 46 ASP HB3 . . 4.220 3.129 1.940 4.298 0.078 13 0 "[ . 1 .]" 1
56 1 9 THR MG 1 47 ASN HA . . 4.280 3.100 1.951 4.296 0.016 13 0 "[ . 1 .]" 1
57 1 9 THR MG 1 48 ILE MD . . 4.750 2.603 1.927 3.875 . 0 0 "[ . 1 .]" 1
58 1 10 GLU QG 1 12 ALA H . . 4.000 4.066 3.570 4.183 0.183 2 0 "[ . 1 .]" 1
59 1 11 GLN H 1 11 GLN QB . . 2.700 2.679 2.197 2.734 0.034 12 0 "[ . 1 .]" 1
60 1 11 GLN H 1 11 GLN HB2 . . 3.130 3.037 2.297 3.139 0.009 11 0 "[ . 1 .]" 1
61 1 11 GLN H 1 11 GLN HB3 . . 3.130 2.993 2.802 3.044 . 0 0 "[ . 1 .]" 1
62 1 11 GLN HA 1 12 ALA H . . 3.490 3.099 2.775 3.324 . 0 0 "[ . 1 .]" 1
63 1 11 GLN QG 1 12 ALA HA . . 4.470 4.465 4.328 4.483 0.013 6 0 "[ . 1 .]" 1
64 1 11 GLN QB 1 40 CYS H . . 4.030 4.052 4.005 4.084 0.054 6 0 "[ . 1 .]" 1
65 1 12 ALA H 1 12 ALA MB . . 2.820 2.406 2.254 2.789 . 0 0 "[ . 1 .]" 1
66 1 12 ALA H 1 13 ILE H . . 4.390 4.233 3.939 4.315 . 0 0 "[ . 1 .]" 1
67 1 12 ALA HA 1 13 ILE H . . 3.290 2.142 2.141 2.143 . 0 0 "[ . 1 .]" 1
68 1 12 ALA MB 1 37 ILE MG . . 4.720 2.112 1.853 2.534 . 0 0 "[ . 1 .]" 1
69 1 12 ALA HA 1 39 GLY QA . . 4.690 3.141 2.786 3.449 . 0 0 "[ . 1 .]" 1
70 1 13 ILE H 1 13 ILE HB . . 3.150 2.344 2.284 2.405 . 0 0 "[ . 1 .]" 1
71 1 13 ILE H 1 13 ILE MD . . 3.730 2.382 2.263 2.526 . 0 0 "[ . 1 .]" 1
72 1 13 ILE H 1 13 ILE HG12 . . 4.110 4.197 4.140 4.273 0.163 13 0 "[ . 1 .]" 1
73 1 13 ILE H 1 13 ILE HG13 . . 4.110 4.030 3.869 4.175 0.065 4 0 "[ . 1 .]" 1
74 1 13 ILE HA 1 13 ILE MG . . 3.230 2.536 2.478 2.601 . 0 0 "[ . 1 .]" 1
75 1 13 ILE HA 1 13 ILE MD . . 3.830 2.616 2.373 2.797 . 0 0 "[ . 1 .]" 1
76 1 13 ILE HA 1 13 ILE HG12 . . 4.210 3.590 3.583 3.596 . 0 0 "[ . 1 .]" 1
77 1 13 ILE HA 1 13 ILE HG13 . . 4.210 2.341 2.305 2.389 . 0 0 "[ . 1 .]" 1
78 1 13 ILE HB 1 13 ILE MD . . 3.630 2.350 2.277 2.437 . 0 0 "[ . 1 .]" 1
79 1 13 ILE H 1 14 TYR H . . 4.360 4.312 4.180 4.413 0.053 9 0 "[ . 1 .]" 1
80 1 13 ILE HA 1 14 TYR H . . 3.460 2.150 2.139 2.169 . 0 0 "[ . 1 .]" 1
81 1 13 ILE MD 1 14 TYR H . . 4.480 4.456 4.261 4.609 0.129 2 0 "[ . 1 .]" 1
82 1 13 ILE QG 1 14 TYR H . . 4.160 4.037 3.937 4.175 0.015 2 0 "[ . 1 .]" 1
83 1 13 ILE MG 1 14 TYR H . . 3.410 2.933 2.715 3.106 . 0 0 "[ . 1 .]" 1
84 1 13 ILE MG 1 15 LYS QG . . 3.950 3.123 2.048 3.982 0.032 10 0 "[ . 1 .]" 1
85 1 13 ILE MG 1 15 LYS QD . . 4.930 2.349 1.985 3.663 . 0 0 "[ . 1 .]" 1
86 1 13 ILE H 1 27 ILE MD . . 4.330 4.352 4.338 4.386 0.056 11 0 "[ . 1 .]" 1
87 1 13 ILE H 1 37 ILE MG . . 4.790 2.799 2.499 3.091 . 0 0 "[ . 1 .]" 1
88 1 13 ILE H 1 38 ASP H . . 2.710 2.564 2.284 2.723 0.013 9 0 "[ . 1 .]" 1
89 1 13 ILE H 1 38 ASP QB . . 3.900 3.484 3.219 3.787 . 0 0 "[ . 1 .]" 1
90 1 13 ILE H 1 38 ASP HA . . 4.660 4.453 4.208 4.664 0.004 5 0 "[ . 1 .]" 1
91 1 13 ILE HB 1 38 ASP H . . 3.920 2.837 2.446 3.088 . 0 0 "[ . 1 .]" 1
92 1 13 ILE HB 1 38 ASP HB3 . . 3.940 2.644 1.999 3.943 0.003 6 0 "[ . 1 .]" 1
93 1 13 ILE HB 1 38 ASP HB2 . . 3.940 2.956 1.989 3.713 . 0 0 "[ . 1 .]" 1
94 1 13 ILE MD 1 38 ASP QB . . 4.250 3.343 2.912 3.910 . 0 0 "[ . 1 .]" 1
95 1 13 ILE MG 1 38 ASP QB . . 4.360 2.928 2.369 3.514 . 0 0 "[ . 1 .]" 1
96 1 13 ILE H 1 39 GLY QA . . 4.260 3.570 3.300 3.929 . 0 0 "[ . 1 .]" 1
97 1 13 ILE MD 1 39 GLY QA . . 4.650 3.147 2.594 3.674 . 0 0 "[ . 1 .]" 1
98 1 13 ILE MD 1 40 CYS H . . 4.090 3.324 2.977 3.861 . 0 0 "[ . 1 .]" 1
99 1 13 ILE QG 1 40 CYS QB . . 3.800 3.169 2.790 3.733 . 0 0 "[ . 1 .]" 1
100 1 14 TYR H 1 15 LYS QB . . 5.010 4.928 4.657 5.022 0.012 4 0 "[ . 1 .]" 1
101 1 14 TYR QB 1 35 LEU QD . . 4.440 2.324 1.857 3.019 . 0 0 "[ . 1 .]" 1
102 1 14 TYR HA 1 37 ILE HA . . 2.950 2.947 2.835 3.007 0.057 13 0 "[ . 1 .]" 1
103 1 14 TYR QB 1 132 LEU QD . . 4.940 3.356 2.628 3.869 . 0 0 "[ . 1 .]" 1
104 1 15 LYS H 1 15 LYS QD . . 4.410 4.284 3.968 4.416 0.006 2 0 "[ . 1 .]" 1
105 1 15 LYS QB 1 15 LYS QG . . 2.340 2.057 2.000 2.086 . 0 0 "[ . 1 .]" 1
106 1 15 LYS QB 1 15 LYS QE . . 4.000 3.038 2.151 3.665 . 0 0 "[ . 1 .]" 1
107 1 15 LYS QB 1 16 ASN H . . 3.410 2.599 2.037 3.339 . 0 0 "[ . 1 .]" 1
108 1 15 LYS QG 1 16 ASN H . . 4.540 3.252 2.258 4.075 . 0 0 "[ . 1 .]" 1
109 1 15 LYS HB2 1 20 THR MG . . 4.580 2.790 1.936 4.002 . 0 0 "[ . 1 .]" 1
110 1 15 LYS HB3 1 20 THR MG . . 4.580 2.725 1.948 4.058 . 0 0 "[ . 1 .]" 1
111 1 15 LYS QB 1 20 THR MG . . 3.860 2.132 1.915 3.144 . 0 0 "[ . 1 .]" 1
112 1 15 LYS QE 1 20 THR MG . . 4.700 2.444 1.894 3.702 . 0 0 "[ . 1 .]" 1
113 1 15 LYS H 1 35 LEU QD . . 4.550 2.467 1.855 3.356 . 0 0 "[ . 1 .]" 1
114 1 15 LYS H 1 36 GLN H . . 4.030 3.229 2.621 3.796 . 0 0 "[ . 1 .]" 1
115 1 16 ASN H 1 17 ALA H . . 4.710 4.471 4.354 4.547 . 0 0 "[ . 1 .]" 1
116 1 16 ASN HA 1 17 ALA H . . 2.980 2.146 2.139 2.164 . 0 0 "[ . 1 .]" 1
117 1 16 ASN HA 1 18 HIS H . . 4.430 3.729 3.478 4.003 . 0 0 "[ . 1 .]" 1
118 1 16 ASN QB 1 18 HIS H . . 4.230 2.974 2.878 3.097 . 0 0 "[ . 1 .]" 1
119 1 16 ASN H 1 19 LEU H . . 4.830 4.803 4.593 4.851 0.021 15 0 "[ . 1 .]" 1
120 1 16 ASN H 1 19 LEU QB . . 4.400 3.878 3.532 4.214 . 0 0 "[ . 1 .]" 1
121 1 16 ASN H 1 19 LEU QD . . 4.680 4.394 3.971 4.684 0.004 11 0 "[ . 1 .]" 1
122 1 16 ASN HA 1 19 LEU H . . 4.730 4.295 4.125 4.485 . 0 0 "[ . 1 .]" 1
123 1 16 ASN QB 1 19 LEU QB . . 4.120 2.041 1.889 2.457 . 0 0 "[ . 1 .]" 1
124 1 16 ASN QB 1 19 LEU QD . . 4.700 2.571 1.988 3.012 . 0 0 "[ . 1 .]" 1
125 1 16 ASN H 1 20 THR MG . . 4.940 3.380 3.089 3.969 . 0 0 "[ . 1 .]" 1
126 1 16 ASN QB 1 20 THR H . . 4.650 4.097 3.855 4.384 . 0 0 "[ . 1 .]" 1
127 1 16 ASN HA 1 35 LEU HA . . 3.310 2.852 2.519 3.311 0.001 12 0 "[ . 1 .]" 1
128 1 16 ASN HA 1 35 LEU QD . . 5.000 2.835 1.971 3.943 . 0 0 "[ . 1 .]" 1
129 1 16 ASN HA 1 36 GLN H . . 3.940 3.793 3.421 3.968 0.028 13 0 "[ . 1 .]" 1
130 1 17 ALA H 1 17 ALA MB . . 3.100 2.169 2.047 2.239 . 0 0 "[ . 1 .]" 1
131 1 17 ALA H 1 18 HIS H . . 3.850 2.622 2.515 2.704 . 0 0 "[ . 1 .]" 1
132 1 17 ALA MB 1 18 HIS H . . 3.750 2.764 2.598 3.025 . 0 0 "[ . 1 .]" 1
133 1 17 ALA MB 1 18 HIS HA . . 4.040 3.838 3.769 3.914 . 0 0 "[ . 1 .]" 1
134 1 17 ALA H 1 19 LEU H . . 4.620 4.008 3.829 4.190 . 0 0 "[ . 1 .]" 1
135 1 17 ALA HA 1 19 LEU H . . 4.480 3.851 3.587 4.098 . 0 0 "[ . 1 .]" 1
136 1 17 ALA MB 1 19 LEU H . . 4.870 4.334 4.167 4.463 . 0 0 "[ . 1 .]" 1
137 1 17 ALA H 1 20 THR HG1 . . 4.240 3.941 3.731 4.236 . 0 0 "[ . 1 .]" 1
138 1 17 ALA HA 1 20 THR MG . . 4.250 3.948 3.772 4.258 0.008 13 0 "[ . 1 .]" 1
139 1 17 ALA HA 1 20 THR H . . 3.860 3.274 3.136 3.338 . 0 0 "[ . 1 .]" 1
140 1 17 ALA HA 1 20 THR HG1 . . 5.400 2.148 1.999 2.469 . 0 0 "[ . 1 .]" 1
141 1 17 ALA MB 1 20 THR HG1 . . 4.360 3.834 3.710 4.093 . 0 0 "[ . 1 .]" 1
142 1 17 ALA HA 1 21 THR MG . . 4.790 4.653 3.966 4.814 0.024 11 0 "[ . 1 .]" 1
143 1 17 ALA HA 1 21 THR H . . 4.420 2.781 2.055 4.291 . 0 0 "[ . 1 .]" 1
144 1 17 ALA MB 1 21 THR MG . . 4.760 4.513 3.082 4.772 0.012 9 0 "[ . 1 .]" 1
145 1 17 ALA MB 1 21 THR H . . 4.820 3.801 3.240 4.832 0.012 11 0 "[ . 1 .]" 1
146 1 17 ALA MB 1 29 LEU QD . . 4.980 2.888 1.798 3.496 . 0 0 "[ . 1 .]" 1
147 1 17 ALA MB 1 34 ASP HA . . 3.820 3.338 2.540 3.829 0.009 3 0 "[ . 1 .]" 1
148 1 17 ALA MB 1 34 ASP QB . . 4.840 3.563 2.724 4.521 . 0 0 "[ . 1 .]" 1
149 1 17 ALA H 1 35 LEU HA . . 2.980 2.540 1.950 2.989 0.009 1 0 "[ . 1 .]" 1
150 1 17 ALA H 1 35 LEU QD . . 4.620 3.660 2.900 4.572 . 0 0 "[ . 1 .]" 1
151 1 17 ALA H 1 35 LEU H . . 4.680 4.547 4.098 4.707 0.027 9 0 "[ . 1 .]" 1
152 1 17 ALA H 1 36 GLN QB . . 4.540 4.048 3.225 4.558 0.018 3 0 "[ . 1 .]" 1
153 1 17 ALA H 1 36 GLN H . . 4.180 3.304 2.530 3.895 . 0 0 "[ . 1 .]" 1
154 1 17 ALA MB 1 36 GLN QB . . 4.900 2.656 1.903 3.677 . 0 0 "[ . 1 .]" 1
155 1 17 ALA MB 1 36 GLN QG . . 3.960 2.255 1.867 3.423 . 0 0 "[ . 1 .]" 1
156 1 18 HIS H 1 18 HIS QB . . 3.630 2.356 2.081 2.593 . 0 0 "[ . 1 .]" 1
157 1 18 HIS H 1 19 LEU H . . 4.090 2.496 2.459 2.578 . 0 0 "[ . 1 .]" 1
158 1 18 HIS QB 1 19 LEU H . . 4.430 3.354 2.914 3.846 . 0 0 "[ . 1 .]" 1
159 1 18 HIS H 1 20 THR H . . 4.280 3.881 3.761 4.024 . 0 0 "[ . 1 .]" 1
160 1 18 HIS HA 1 20 THR H . . 3.880 3.918 3.906 3.970 0.090 11 0 "[ . 1 .]" 1
161 1 18 HIS QB 1 84 TYR QB . . 3.880 3.873 3.831 3.901 0.021 11 0 "[ . 1 .]" 1
162 1 19 LEU H 1 19 LEU HB3 . . 3.630 3.351 3.083 3.632 0.002 12 0 "[ . 1 .]" 1
163 1 19 LEU H 1 19 LEU HB2 . . 3.630 2.345 2.147 2.522 . 0 0 "[ . 1 .]" 1
164 1 19 LEU H 1 19 LEU HG . . 4.330 3.987 3.329 4.327 . 0 0 "[ . 1 .]" 1
165 1 19 LEU H 1 20 THR H . . 2.960 2.170 1.978 2.282 . 0 0 "[ . 1 .]" 1
166 1 19 LEU H 1 20 THR MG . . 3.980 3.590 3.337 3.981 0.001 5 0 "[ . 1 .]" 1
167 1 19 LEU H 1 21 THR MG . . 4.800 4.583 4.362 4.820 0.020 13 0 "[ . 1 .]" 1
168 1 19 LEU QD 1 105 ALA MB . . 4.980 2.995 1.872 4.747 . 0 0 "[ . 1 .]" 1
169 1 20 THR H 1 20 THR MG . . 2.820 2.876 2.828 2.910 0.090 7 0 "[ . 1 .]" 1
170 1 20 THR HA 1 20 THR MG . . 3.540 2.415 2.334 2.489 . 0 0 "[ . 1 .]" 1
171 1 20 THR H 1 22 PRO QD . . 4.400 4.216 3.842 4.476 0.076 6 0 "[ . 1 .]" 1
172 1 20 THR HA 1 22 PRO QD . . 3.450 3.489 2.616 3.652 0.202 8 0 "[ . 1 .]" 1
173 1 21 THR H 1 21 THR MG . . 3.120 2.951 1.682 3.199 0.079 13 0 "[ . 1 .]" 1
174 1 21 THR H 1 21 THR HB . . 3.270 3.045 2.964 3.379 0.109 12 0 "[ . 1 .]" 1
175 1 21 THR H 1 22 PRO QD . . 4.420 2.461 2.134 2.559 . 0 0 "[ . 1 .]" 1
176 1 21 THR H 1 36 GLN QE . . 4.570 3.907 2.648 4.582 0.012 2 0 "[ . 1 .]" 1
177 1 21 THR HA 1 36 GLN QE . . 4.860 2.871 1.941 4.474 . 0 0 "[ . 1 .]" 1
178 1 22 PRO HA 1 23 ASN H . . 2.830 2.598 2.154 2.719 . 0 0 "[ . 1 .]" 1
179 1 22 PRO QB 1 23 ASN HA . . 4.120 4.260 4.122 4.285 0.165 4 0 "[ . 1 .]" 1
180 1 23 ASN H 1 23 ASN HB2 . . 3.980 2.607 2.091 3.132 . 0 0 "[ . 1 .]" 1
181 1 23 ASN H 1 23 ASN HB3 . . 3.980 3.473 2.476 3.830 . 0 0 "[ . 1 .]" 1
182 1 23 ASN H 1 25 GLN H . . 4.630 4.346 3.763 4.785 0.155 11 0 "[ . 1 .]" 1
183 1 23 ASN QB 1 25 GLN QG . . 4.170 3.539 2.792 4.181 0.011 11 0 "[ . 1 .]" 1
184 1 23 ASN QB 1 25 GLN QB . . 4.280 3.541 2.772 4.289 0.009 9 0 "[ . 1 .]" 1
185 1 24 ASP H 1 24 ASP QB . . 3.690 2.645 2.059 3.439 . 0 0 "[ . 1 .]" 1
186 1 24 ASP H 1 24 ASP HB2 . . 4.210 2.826 2.079 3.958 . 0 0 "[ . 1 .]" 1
187 1 24 ASP H 1 24 ASP HB3 . . 4.210 3.316 2.876 3.851 . 0 0 "[ . 1 .]" 1
188 1 24 ASP HA 1 24 ASP QB . . 2.600 2.457 2.170 2.536 . 0 0 "[ . 1 .]" 1
189 1 24 ASP HA 1 24 ASP HB2 . . 2.980 2.734 2.625 3.000 0.020 3 0 "[ . 1 .]" 1
190 1 24 ASP HA 1 24 ASP HB3 . . 2.980 2.849 2.313 2.980 . 0 0 "[ . 1 .]" 1
191 1 24 ASP H 1 25 GLN H . . 3.700 2.627 1.960 3.127 . 0 0 "[ . 1 .]" 1
192 1 24 ASP QB 1 25 GLN H . . 3.980 3.816 3.179 3.991 0.011 14 0 "[ . 1 .]" 1
193 1 24 ASP H 1 26 THR H . . 4.890 4.593 3.980 4.972 0.082 2 0 "[ . 1 .]" 1
194 1 24 ASP HA 1 26 THR H . . 4.080 3.354 3.023 4.067 . 0 0 "[ . 1 .]" 1
195 1 25 GLN H 1 25 GLN HG3 . . 3.360 3.534 2.242 4.320 0.960 10 4 "[* . - + *.]" 1
196 1 25 GLN HA 1 25 GLN HG2 . . 2.630 2.338 2.077 2.648 0.018 10 0 "[ . 1 .]" 1
197 1 25 GLN H 1 26 THR H . . 2.860 2.346 1.879 2.619 . 0 0 "[ . 1 .]" 1
198 1 25 GLN QB 1 39 GLY H . . 4.610 4.509 3.903 4.630 0.020 9 0 "[ . 1 .]" 1
199 1 26 THR H 1 26 THR HB . . 3.640 3.593 3.474 3.656 0.016 6 0 "[ . 1 .]" 1
200 1 26 THR HA 1 26 THR MG . . 2.760 2.239 1.967 2.361 . 0 0 "[ . 1 .]" 1
201 1 26 THR HA 1 27 ILE H . . 3.330 2.433 2.142 2.637 . 0 0 "[ . 1 .]" 1
202 1 26 THR HA 1 27 ILE HB . . 4.500 4.554 4.535 4.585 0.085 8 0 "[ . 1 .]" 1
203 1 26 THR MG 1 27 ILE H . . 3.510 3.485 3.366 3.533 0.023 2 0 "[ . 1 .]" 1
204 1 26 THR HB 1 28 LEU H . . 3.920 3.832 3.473 3.930 0.010 13 0 "[ . 1 .]" 1
205 1 26 THR HB 1 36 GLN QG . . 4.600 4.283 2.906 4.619 0.019 2 0 "[ . 1 .]" 1
206 1 26 THR MG 1 36 GLN HG2 . . 4.230 3.556 2.257 4.236 0.006 2 0 "[ . 1 .]" 1
207 1 26 THR MG 1 36 GLN HG3 . . 4.230 3.578 2.800 4.142 . 0 0 "[ . 1 .]" 1
208 1 26 THR MG 1 36 GLN QE . . 4.390 2.555 1.864 3.321 . 0 0 "[ . 1 .]" 1
209 1 26 THR HA 1 38 ASP QB . . 3.730 3.589 3.095 3.737 0.007 15 0 "[ . 1 .]" 1
210 1 26 THR MG 1 38 ASP QB . . 4.860 3.570 2.525 4.139 . 0 0 "[ . 1 .]" 1
211 1 27 ILE H 1 27 ILE MG . . 3.810 3.820 3.753 3.851 0.041 10 0 "[ . 1 .]" 1
212 1 27 ILE H 1 27 ILE HB . . 3.860 2.636 2.466 2.716 . 0 0 "[ . 1 .]" 1
213 1 27 ILE H 1 27 ILE MD . . 3.920 2.929 2.188 3.253 . 0 0 "[ . 1 .]" 1
214 1 27 ILE HA 1 27 ILE MG . . 2.940 2.411 2.350 2.437 . 0 0 "[ . 1 .]" 1
215 1 27 ILE HA 1 27 ILE MD . . 3.610 3.627 3.616 3.646 0.036 3 0 "[ . 1 .]" 1
216 1 27 ILE HB 1 27 ILE MD . . 2.680 2.032 1.991 2.178 . 0 0 "[ . 1 .]" 1
217 1 27 ILE H 1 28 LEU H . . 3.380 2.427 2.068 3.081 . 0 0 "[ . 1 .]" 1
218 1 27 ILE HB 1 28 LEU H . . 3.870 2.230 2.080 2.456 . 0 0 "[ . 1 .]" 1
219 1 27 ILE MG 1 28 LEU H . . 3.170 2.906 2.648 3.179 0.009 13 0 "[ . 1 .]" 1
220 1 27 ILE MG 1 37 ILE HB . . 4.980 4.271 3.515 4.677 . 0 0 "[ . 1 .]" 1
221 1 27 ILE MG 1 37 ILE MG . . 4.960 4.019 3.578 4.441 . 0 0 "[ . 1 .]" 1
222 1 27 ILE H 1 38 ASP HA . . 3.600 3.101 2.129 3.556 . 0 0 "[ . 1 .]" 1
223 1 27 ILE MD 1 38 ASP H . . 4.330 3.774 3.503 3.966 . 0 0 "[ . 1 .]" 1
224 1 27 ILE MD 1 38 ASP QB . . 4.370 3.561 3.129 3.793 . 0 0 "[ . 1 .]" 1
225 1 27 ILE MG 1 38 ASP HA . . 4.980 4.996 4.985 5.012 0.032 15 0 "[ . 1 .]" 1
226 1 27 ILE MD 1 39 GLY QA . . 3.560 2.381 2.192 2.641 . 0 0 "[ . 1 .]" 1
227 1 27 ILE MD 1 39 GLY H . . 3.890 2.351 2.192 2.503 . 0 0 "[ . 1 .]" 1
228 1 27 ILE QG 1 39 GLY QA . . 4.690 4.030 3.836 4.200 . 0 0 "[ . 1 .]" 1
229 1 28 LEU HA 1 28 LEU QD . . 3.720 2.775 2.204 3.059 . 0 0 "[ . 1 .]" 1
230 1 28 LEU HA 1 29 LEU H . . 3.370 2.180 2.140 2.371 . 0 0 "[ . 1 .]" 1
231 1 28 LEU HG 1 29 LEU H . . 4.100 2.984 1.975 4.093 . 0 0 "[ . 1 .]" 1
232 1 28 LEU H 1 37 ILE MD . . 4.900 4.154 3.630 4.916 0.016 2 0 "[ . 1 .]" 1
233 1 28 LEU QB 1 37 ILE HB . . 3.330 3.099 2.313 3.337 0.007 11 0 "[ . 1 .]" 1
234 1 28 LEU QB 1 37 ILE MD . . 4.910 2.861 1.879 4.439 . 0 0 "[ . 1 .]" 1
235 1 28 LEU QD 1 37 ILE MD . . 4.950 2.834 1.979 4.705 . 0 0 "[ . 1 .]" 1
236 1 29 LEU H 1 29 LEU QD . . 3.770 3.105 2.083 3.441 . 0 0 "[ . 1 .]" 1
237 1 29 LEU H 1 29 LEU HG . . 4.040 2.894 2.505 4.103 0.063 7 0 "[ . 1 .]" 1
238 1 29 LEU HA 1 29 LEU QD . . 3.240 3.150 1.932 3.333 0.093 6 0 "[ . 1 .]" 1
239 1 29 LEU QB 1 29 LEU QD . . 2.600 1.815 1.732 2.052 . 0 0 "[ . 1 .]" 1
240 1 29 LEU HG 1 31 LEU QD . . 3.340 3.273 2.539 3.364 0.024 3 0 "[ . 1 .]" 1
241 1 29 LEU QD 1 31 LEU QD . . 4.650 1.910 1.679 2.587 . 0 0 "[ . 1 .]" 1
242 1 29 LEU QD 1 35 LEU H . . 4.670 4.077 3.361 4.687 0.017 6 0 "[ . 1 .]" 1
243 1 29 LEU HA 1 36 GLN HA . . 2.580 2.290 1.989 2.643 0.063 7 0 "[ . 1 .]" 1
244 1 29 LEU MD1 1 36 GLN HA . . 4.210 3.931 3.311 4.219 0.009 13 0 "[ . 1 .]" 1
245 1 29 LEU MD2 1 36 GLN HA . . 4.210 3.981 3.265 4.226 0.016 9 0 "[ . 1 .]" 1
246 1 29 LEU QD 1 36 GLN QB . . 4.970 3.137 2.155 4.029 . 0 0 "[ . 1 .]" 1
247 1 29 LEU QD 1 36 GLN QE . . 4.500 2.974 1.840 4.510 0.010 6 0 "[ . 1 .]" 1
248 1 29 LEU QD 1 36 GLN QG . . 4.690 3.064 1.851 4.445 . 0 0 "[ . 1 .]" 1
249 1 29 LEU HA 1 37 ILE H . . 3.670 3.363 2.602 3.676 0.006 11 0 "[ . 1 .]" 1
250 1 30 ALA H 1 30 ALA MB . . 3.210 2.395 2.168 2.618 . 0 0 "[ . 1 .]" 1
251 1 30 ALA MB 1 31 LEU H . . 4.150 3.424 3.001 3.702 . 0 0 "[ . 1 .]" 1
252 1 30 ALA MB 1 33 ALA MB . . 4.990 3.076 2.115 4.149 . 0 0 "[ . 1 .]" 1
253 1 30 ALA MB 1 35 LEU QB . . 3.870 3.309 2.225 3.865 . 0 0 "[ . 1 .]" 1
254 1 30 ALA MB 1 35 LEU H . . 4.740 3.520 2.448 3.962 . 0 0 "[ . 1 .]" 1
255 1 31 LEU H 1 31 LEU QD . . 3.670 2.159 1.900 2.653 . 0 0 "[ . 1 .]" 1
256 1 31 LEU H 1 31 LEU MD1 . . 4.190 3.212 1.939 4.063 . 0 0 "[ . 1 .]" 1
257 1 31 LEU H 1 31 LEU MD2 . . 4.190 2.806 1.906 4.049 . 0 0 "[ . 1 .]" 1
258 1 31 LEU H 1 31 LEU HG . . 4.320 3.280 1.952 4.303 . 0 0 "[ . 1 .]" 1
259 1 32 THR HA 1 32 THR MG . . 2.850 2.136 2.008 2.352 . 0 0 "[ . 1 .]" 1
260 1 32 THR H 1 33 ALA H . . 4.470 2.682 2.442 2.784 . 0 0 "[ . 1 .]" 1
261 1 32 THR H 1 34 ASP H . . 4.320 3.803 3.587 3.974 . 0 0 "[ . 1 .]" 1
262 1 33 ALA H 1 33 ALA MB . . 3.310 2.497 2.254 2.687 . 0 0 "[ . 1 .]" 1
263 1 33 ALA H 1 34 ASP H . . 3.180 2.056 1.899 2.193 . 0 0 "[ . 1 .]" 1
264 1 33 ALA H 1 34 ASP HA . . 4.630 4.146 3.992 4.329 . 0 0 "[ . 1 .]" 1
265 1 33 ALA MB 1 35 LEU H . . 4.380 3.311 2.793 4.395 0.015 3 0 "[ . 1 .]" 1
266 1 33 ALA MB 1 130 THR MG . . 4.900 3.872 2.884 4.613 . 0 0 "[ . 1 .]" 1
267 1 34 ASP H 1 35 LEU H . . 3.490 2.871 2.763 3.298 . 0 0 "[ . 1 .]" 1
268 1 34 ASP HA 1 35 LEU H . . 3.290 2.784 2.332 2.922 . 0 0 "[ . 1 .]" 1
269 1 34 ASP HB2 1 35 LEU H . . 4.420 4.317 4.121 4.429 0.009 15 0 "[ . 1 .]" 1
270 1 34 ASP HB3 1 35 LEU H . . 4.420 4.260 4.116 4.430 0.010 8 0 "[ . 1 .]" 1
271 1 34 ASP QB 1 35 LEU H . . 3.790 3.811 3.781 3.869 0.079 3 0 "[ . 1 .]" 1
272 1 35 LEU H 1 35 LEU QB . . 3.620 2.467 2.275 2.820 . 0 0 "[ . 1 .]" 1
273 1 35 LEU H 1 35 LEU MD2 . . 3.960 4.364 4.076 4.821 0.861 3 4 "[ +*. * - .]" 1
274 1 35 LEU HA 1 35 LEU QD . . 2.950 2.229 1.900 2.914 . 0 0 "[ . 1 .]" 1
275 1 35 LEU HA 1 35 LEU MD1 . . 4.050 2.693 1.952 3.739 . 0 0 "[ . 1 .]" 1
276 1 35 LEU HA 1 35 LEU MD2 . . 4.050 3.120 1.929 3.953 . 0 0 "[ . 1 .]" 1
277 1 35 LEU QD 1 36 GLN H . . 3.360 2.284 1.869 2.943 . 0 0 "[ . 1 .]" 1
278 1 35 LEU QD 1 36 GLN QG . . 4.130 4.018 3.290 4.196 0.066 13 0 "[ . 1 .]" 1
279 1 35 LEU QD 1 37 ILE MD . . 4.360 3.489 2.473 4.359 . 0 0 "[ . 1 .]" 1
280 1 35 LEU QB 1 130 THR MG . . 4.650 4.544 4.155 4.667 0.017 11 0 "[ . 1 .]" 1
281 1 35 LEU QD 1 130 THR MG . . 5.000 3.512 2.615 4.317 . 0 0 "[ . 1 .]" 1
282 1 35 LEU QD 1 132 LEU QD . . 4.910 2.920 2.331 3.888 . 0 0 "[ . 1 .]" 1
283 1 36 GLN QG 1 37 ILE H . . 4.320 3.681 2.815 4.197 . 0 0 "[ . 1 .]" 1
284 1 37 ILE H 1 37 ILE MD . . 4.030 3.815 2.401 4.033 0.003 6 0 "[ . 1 .]" 1
285 1 37 ILE H 1 37 ILE MG . . 4.100 3.878 3.840 3.912 . 0 0 "[ . 1 .]" 1
286 1 37 ILE H 1 38 ASP H . . 4.390 4.347 4.080 4.435 0.045 2 0 "[ . 1 .]" 1
287 1 37 ILE MD 1 135 TYR QB . . 4.830 4.423 3.159 4.844 0.014 15 0 "[ . 1 .]" 1
288 1 38 ASP H 1 38 ASP QB . . 3.630 2.522 2.360 2.830 . 0 0 "[ . 1 .]" 1
289 1 38 ASP H 1 39 GLY H . . 4.400 4.451 4.419 4.477 0.077 1 0 "[ . 1 .]" 1
290 1 38 ASP QB 1 39 GLY QA . . 4.040 3.856 3.727 4.001 . 0 0 "[ . 1 .]" 1
291 1 40 CYS H 1 40 CYS QB . . 3.610 2.919 2.611 3.242 . 0 0 "[ . 1 .]" 1
292 1 40 CYS H 1 41 ASP H . . 4.300 4.311 4.216 4.388 0.088 6 0 "[ . 1 .]" 1
293 1 40 CYS HA 1 41 ASP H . . 3.040 2.344 2.180 2.544 . 0 0 "[ . 1 .]" 1
294 1 40 CYS QB 1 42 GLN H . . 4.250 2.615 2.244 4.027 . 0 0 "[ . 1 .]" 1
295 1 41 ASP H 1 41 ASP HB3 . . 3.260 3.311 2.646 3.690 0.430 2 0 "[ . 1 .]" 1
296 1 41 ASP H 1 42 GLN H . . 3.160 2.716 2.202 3.168 0.008 12 0 "[ . 1 .]" 1
297 1 42 GLN H 1 42 GLN HA . . 2.930 2.933 2.913 2.945 0.015 1 0 "[ . 1 .]" 1
298 1 42 GLN H 1 42 GLN HG2 . . 3.330 3.434 3.380 3.467 0.137 10 0 "[ . 1 .]" 1
299 1 42 GLN H 1 42 GLN HG3 . . 3.330 2.254 2.124 2.341 . 0 0 "[ . 1 .]" 1
300 1 42 GLN H 1 42 GLN QB . . 3.420 2.682 2.607 2.733 . 0 0 "[ . 1 .]" 1
301 1 42 GLN HA 1 42 GLN HG2 . . 3.130 2.769 2.748 2.788 . 0 0 "[ . 1 .]" 1
302 1 42 GLN HA 1 42 GLN HG3 . . 3.130 3.280 3.216 3.325 0.195 2 0 "[ . 1 .]" 1
303 1 43 PRO QB 1 44 GLY H . . 3.830 2.977 2.458 3.454 . 0 0 "[ . 1 .]" 1
304 1 45 PRO HB2 1 46 ASP H . . 4.670 3.520 1.944 4.229 . 0 0 "[ . 1 .]" 1
305 1 45 PRO HB3 1 46 ASP H . . 4.670 4.188 3.161 4.526 . 0 0 "[ . 1 .]" 1
306 1 46 ASP H 1 46 ASP QB . . 2.930 2.672 2.074 2.987 0.057 11 0 "[ . 1 .]" 1
307 1 46 ASP QB 1 115 VAL QG . . 4.640 4.502 3.649 4.695 0.055 13 0 "[ . 1 .]" 1
308 1 47 ASN H 1 47 ASN HB2 . . 2.940 2.922 2.687 3.121 0.181 14 0 "[ . 1 .]" 1
309 1 47 ASN H 1 47 ASN HB3 . . 2.940 2.949 2.595 3.282 0.342 14 0 "[ . 1 .]" 1
310 1 47 ASN HA 1 47 ASN HB2 . . 2.670 2.589 2.350 2.701 0.031 10 0 "[ . 1 .]" 1
311 1 47 ASN H 1 48 ILE H . . 3.810 3.838 3.473 4.271 0.461 10 0 "[ . 1 .]" 1
312 1 47 ASN HA 1 48 ILE H . . 2.810 2.267 2.182 2.824 0.014 10 0 "[ . 1 .]" 1
313 1 47 ASN HA 1 48 ILE MD . . 4.360 4.304 4.056 4.417 0.057 11 0 "[ . 1 .]" 1
314 1 48 ILE H 1 48 ILE HB . . 3.200 2.621 2.586 2.708 . 0 0 "[ . 1 .]" 1
315 1 48 ILE H 1 48 ILE MD . . 3.550 2.836 2.557 3.617 0.067 10 0 "[ . 1 .]" 1
316 1 48 ILE HA 1 48 ILE HG12 . . 3.310 2.958 2.849 3.080 . 0 0 "[ . 1 .]" 1
317 1 48 ILE HA 1 48 ILE HG13 . . 3.310 2.584 2.519 2.666 . 0 0 "[ . 1 .]" 1
318 1 48 ILE HA 1 48 ILE MG . . 3.310 2.384 2.318 2.422 . 0 0 "[ . 1 .]" 1
319 1 48 ILE HA 1 48 ILE MD . . 3.910 3.852 3.818 3.877 . 0 0 "[ . 1 .]" 1
320 1 48 ILE HB 1 48 ILE MD . . 3.230 2.231 2.144 2.256 . 0 0 "[ . 1 .]" 1
321 1 48 ILE MD 1 48 ILE MG . . 2.640 2.491 2.308 2.628 . 0 0 "[ . 1 .]" 1
322 1 48 ILE MG 1 116 ILE HA . . 4.290 3.395 2.852 4.343 0.053 12 0 "[ . 1 .]" 1
323 1 48 ILE HA 1 132 LEU QD . . 4.200 4.232 4.195 4.269 0.069 12 0 "[ . 1 .]" 1
324 1 48 ILE MD 1 132 LEU QD . . 4.980 2.594 1.899 3.506 . 0 0 "[ . 1 .]" 1
325 1 48 ILE MD 1 132 LEU QB . . 4.830 3.156 2.074 4.292 . 0 0 "[ . 1 .]" 1
326 1 48 ILE MG 1 132 LEU QB . . 4.920 2.369 1.858 4.214 . 0 0 "[ . 1 .]" 1
327 1 48 ILE MD 1 133 ARG HA . . 4.670 4.638 4.178 4.750 0.080 10 0 "[ . 1 .]" 1
328 1 48 ILE MG 1 133 ARG HA . . 3.550 2.292 1.965 2.636 . 0 0 "[ . 1 .]" 1
329 1 48 ILE MG 1 133 ARG H . . 4.430 3.466 2.779 4.056 . 0 0 "[ . 1 .]" 1
330 1 48 ILE MD 1 135 TYR QB . . 3.930 3.407 2.838 3.943 0.013 6 0 "[ . 1 .]" 1
331 1 48 ILE MG 1 135 TYR H . . 4.850 4.338 3.865 4.856 0.006 1 0 "[ . 1 .]" 1
332 1 48 ILE HB 1 136 ASN QB . . 4.130 2.170 1.913 2.541 . 0 0 "[ . 1 .]" 1
333 1 48 ILE MD 1 136 ASN HA . . 3.610 3.551 3.393 3.661 0.051 6 0 "[ . 1 .]" 1
334 1 48 ILE QG 1 136 ASN QB . . 4.860 3.544 3.365 3.783 . 0 0 "[ . 1 .]" 1
335 1 48 ILE MG 1 136 ASN QB . . 4.860 2.615 1.967 2.977 . 0 0 "[ . 1 .]" 1
336 1 48 ILE MG 1 136 ASN HB2 . . 4.860 2.919 2.017 4.003 . 0 0 "[ . 1 .]" 1
337 1 48 ILE MG 1 136 ASN HB3 . . 4.860 3.231 2.726 3.747 . 0 0 "[ . 1 .]" 1
338 1 49 PRO HA 1 50 ASP H . . 2.760 2.646 2.348 2.715 . 0 0 "[ . 1 .]" 1
339 1 49 PRO QB 1 50 ASP H . . 3.120 2.034 1.901 2.657 . 0 0 "[ . 1 .]" 1
340 1 49 PRO QB 1 51 CYS H . . 4.130 2.694 2.096 3.855 . 0 0 "[ . 1 .]" 1
341 1 49 PRO QG 1 51 CYS H . . 4.310 3.246 2.751 4.120 . 0 0 "[ . 1 .]" 1
342 1 49 PRO HB2 1 113 HIS HB2 . . 4.320 3.622 3.053 4.019 . 0 0 "[ . 1 .]" 1
343 1 49 PRO HB2 1 113 HIS HB3 . . 4.320 4.296 3.860 4.406 0.086 7 0 "[ . 1 .]" 1
344 1 49 PRO HB3 1 113 HIS HB2 . . 4.320 3.064 2.233 3.945 . 0 0 "[ . 1 .]" 1
345 1 49 PRO HB3 1 113 HIS HB3 . . 4.320 3.480 2.797 3.909 . 0 0 "[ . 1 .]" 1
346 1 49 PRO QB 1 113 HIS QB . . 3.350 2.720 2.099 3.199 . 0 0 "[ . 1 .]" 1
347 1 49 PRO QG 1 113 HIS QB . . 4.600 2.690 1.944 3.204 . 0 0 "[ . 1 .]" 1
348 1 49 PRO QD 1 114 GLY QA . . 4.040 3.930 3.362 4.106 0.066 2 0 "[ . 1 .]" 1
349 1 49 PRO HG2 1 116 ILE MG . . 3.480 2.352 1.953 2.904 . 0 0 "[ . 1 .]" 1
350 1 49 PRO HG3 1 116 ILE MG . . 3.480 2.908 2.567 3.503 0.023 11 0 "[ . 1 .]" 1
351 1 49 PRO QD 1 116 ILE MG . . 4.950 3.427 3.143 3.826 . 0 0 "[ . 1 .]" 1
352 1 50 ASP H 1 50 ASP QB . . 2.790 2.616 2.419 2.792 0.002 7 0 "[ . 1 .]" 1
353 1 50 ASP HA 1 50 ASP QB . . 2.750 2.372 2.169 2.506 . 0 0 "[ . 1 .]" 1
354 1 50 ASP H 1 51 CYS H . . 3.360 2.704 1.971 3.480 0.120 7 0 "[ . 1 .]" 1
355 1 50 ASP HA 1 51 CYS H . . 3.440 2.837 2.283 3.315 . 0 0 "[ . 1 .]" 1
356 1 50 ASP QB 1 51 CYS H . . 3.670 3.781 3.704 3.876 0.206 1 0 "[ . 1 .]" 1
357 1 50 ASP HA 1 133 ARG QD . . 4.240 2.994 1.964 4.170 . 0 0 "[ . 1 .]" 1
358 1 50 ASP QB 1 138 LYS HA . . 3.800 3.799 3.663 3.840 0.040 15 0 "[ . 1 .]" 1
359 1 51 CYS QB 1 52 ASP H . . 3.720 3.315 2.289 3.810 0.090 14 0 "[ . 1 .]" 1
360 1 52 ASP HA 1 116 ILE MD . . 4.560 2.510 1.956 3.178 . 0 0 "[ . 1 .]" 1
361 1 52 ASP QB 1 116 ILE QG . . 4.190 4.257 4.202 4.358 0.168 12 0 "[ . 1 .]" 1
362 1 53 CYS HB2 1 111 CYS HB2 . . 4.460 2.089 1.939 2.935 . 0 0 "[ . 1 .]" 1
363 1 53 CYS HB2 1 111 CYS HB3 . . 4.460 2.818 2.714 3.038 . 0 0 "[ . 1 .]" 1
364 1 53 CYS HB3 1 111 CYS HB2 . . 4.460 3.179 2.847 3.530 . 0 0 "[ . 1 .]" 1
365 1 53 CYS HB3 1 111 CYS HB3 . . 4.460 4.223 3.428 4.546 0.086 10 0 "[ . 1 .]" 1
366 1 53 CYS QB 1 111 CYS QB . . 3.130 1.978 1.894 2.415 . 0 0 "[ . 1 .]" 1
367 1 53 CYS H 1 116 ILE MD . . 4.180 2.606 1.848 4.379 0.199 12 0 "[ . 1 .]" 1
368 1 54 THR HA 1 71 CYS H . . 3.500 3.319 3.103 3.510 0.010 15 0 "[ . 1 .]" 1
369 1 54 THR HB 1 71 CYS H . . 4.010 3.306 2.884 4.016 0.006 14 0 "[ . 1 .]" 1
370 1 54 THR MG 1 71 CYS H . . 4.650 4.219 3.845 4.646 . 0 0 "[ . 1 .]" 1
371 1 54 THR MG 1 73 ALA H . . 4.960 2.792 2.511 3.451 . 0 0 "[ . 1 .]" 1
372 1 54 THR HA 1 94 LEU QD . . 4.900 2.785 2.402 3.207 . 0 0 "[ . 1 .]" 1
373 1 54 THR H 1 116 ILE MD . . 4.490 4.582 4.542 4.642 0.152 7 0 "[ . 1 .]" 1
374 1 55 SER H 1 55 SER QB . . 3.530 2.502 2.216 2.943 . 0 0 "[ . 1 .]" 1
375 1 55 SER H 1 55 SER HB2 . . 4.050 3.176 2.486 3.636 . 0 0 "[ . 1 .]" 1
376 1 55 SER H 1 55 SER HB3 . . 4.050 2.633 2.314 3.159 . 0 0 "[ . 1 .]" 1
377 1 55 SER HA 1 55 SER QB . . 2.640 2.248 2.170 2.389 . 0 0 "[ . 1 .]" 1
378 1 55 SER HA 1 56 GLY H . . 2.790 2.188 2.163 2.227 . 0 0 "[ . 1 .]" 1
379 1 55 SER H 1 70 GLU HA . . 4.970 4.231 4.080 4.423 . 0 0 "[ . 1 .]" 1
380 1 55 SER HA 1 70 GLU HA . . 3.190 1.968 1.930 1.996 . 0 0 "[ . 1 .]" 1
381 1 55 SER HA 1 70 GLU HB2 . . 4.460 3.104 2.881 3.236 . 0 0 "[ . 1 .]" 1
382 1 55 SER HA 1 70 GLU HB3 . . 4.460 4.435 4.266 4.514 0.054 6 0 "[ . 1 .]" 1
383 1 55 SER QB 1 70 GLU QG . . 2.760 2.680 2.399 2.763 0.003 2 0 "[ . 1 .]" 1
384 1 55 SER QB 1 70 GLU QB . . 3.430 3.004 2.806 3.293 . 0 0 "[ . 1 .]" 1
385 1 55 SER H 1 71 CYS H . . 4.940 4.540 4.218 4.872 . 0 0 "[ . 1 .]" 1
386 1 55 SER HA 1 71 CYS H . . 4.110 3.406 3.272 3.595 . 0 0 "[ . 1 .]" 1
387 1 56 GLY H 1 57 CYS H . . 3.980 4.092 4.046 4.164 0.184 14 0 "[ . 1 .]" 1
388 1 56 GLY H 1 57 CYS HA . . 4.790 4.705 4.641 4.781 . 0 0 "[ . 1 .]" 1
389 1 56 GLY H 1 69 VAL HA . . 4.960 5.035 5.012 5.071 0.111 15 0 "[ . 1 .]" 1
390 1 56 GLY H 1 69 VAL QG . . 4.430 2.966 2.850 3.097 . 0 0 "[ . 1 .]" 1
391 1 56 GLY H 1 69 VAL H . . 3.560 3.421 3.372 3.489 . 0 0 "[ . 1 .]" 1
392 1 56 GLY QA 1 69 VAL H . . 4.690 4.034 3.999 4.060 . 0 0 "[ . 1 .]" 1
393 1 56 GLY QA 1 69 VAL QG . . 4.970 3.614 3.471 3.766 . 0 0 "[ . 1 .]" 1
394 1 56 GLY H 1 70 GLU HA . . 3.220 3.053 2.951 3.143 . 0 0 "[ . 1 .]" 1
395 1 56 GLY H 1 70 GLU H . . 4.810 4.816 4.784 4.854 0.044 15 0 "[ . 1 .]" 1
396 1 56 GLY H 1 70 GLU QB . . 4.680 4.544 4.413 4.631 . 0 0 "[ . 1 .]" 1
397 1 56 GLY H 1 71 CYS H . . 3.870 3.954 3.896 4.058 0.188 14 0 "[ . 1 .]" 1
398 1 56 GLY HA2 1 109 LEU HG . . 4.820 4.955 4.882 5.053 0.233 15 0 "[ . 1 .]" 1
399 1 56 GLY HA2 1 109 LEU MD1 . . 5.920 3.864 3.679 4.208 . 0 0 "[ . 1 .]" 1
400 1 56 GLY HA2 1 109 LEU MD2 . . 5.920 5.141 4.983 5.372 . 0 0 "[ . 1 .]" 1
401 1 56 GLY HA3 1 109 LEU HG . . 4.820 3.273 3.177 3.357 . 0 0 "[ . 1 .]" 1
402 1 56 GLY HA3 1 109 LEU MD1 . . 5.920 2.497 2.269 2.885 . 0 0 "[ . 1 .]" 1
403 1 56 GLY HA3 1 109 LEU MD2 . . 5.920 3.661 3.502 3.885 . 0 0 "[ . 1 .]" 1
404 1 56 GLY QA 1 109 LEU QD . . 4.850 2.423 2.225 2.711 . 0 0 "[ . 1 .]" 1
405 1 56 GLY QA 1 109 LEU HG . . 4.160 3.229 3.138 3.311 . 0 0 "[ . 1 .]" 1
406 1 56 GLY QA 1 110 LEU H . . 4.740 4.535 4.405 4.625 . 0 0 "[ . 1 .]" 1
407 1 56 GLY HA2 1 111 CYS HA . . 3.830 2.658 2.462 2.886 . 0 0 "[ . 1 .]" 1
408 1 56 GLY HA3 1 111 CYS HA . . 3.830 3.001 2.783 3.132 . 0 0 "[ . 1 .]" 1
409 1 56 GLY QA 1 111 CYS HA . . 3.830 2.486 2.306 2.633 . 0 0 "[ . 1 .]" 1
410 1 56 GLY QA 1 111 CYS QB . . 4.570 3.049 2.900 3.194 . 0 0 "[ . 1 .]" 1
411 1 56 GLY QA 1 116 ILE MD . . 4.880 3.460 2.892 3.704 . 0 0 "[ . 1 .]" 1
412 1 57 CYS H 1 58 TYR H . . 4.370 4.190 4.144 4.219 . 0 0 "[ . 1 .]" 1
413 1 57 CYS HA 1 58 TYR QB . . 4.290 4.064 4.043 4.117 . 0 0 "[ . 1 .]" 1
414 1 57 CYS QB 1 66 TYR QB . . 4.950 2.705 2.606 2.813 . 0 0 "[ . 1 .]" 1
415 1 57 CYS QB 1 66 TYR HD2 . . 4.720 2.474 2.324 2.675 . 0 0 "[ . 1 .]" 1
416 1 57 CYS HA 1 67 ILE H . . 4.960 4.192 4.134 4.276 . 0 0 "[ . 1 .]" 1
417 1 57 CYS QB 1 67 ILE H . . 5.300 3.439 3.362 3.597 . 0 0 "[ . 1 .]" 1
418 1 57 CYS H 1 68 PRO HA . . 4.920 4.698 4.663 4.761 . 0 0 "[ . 1 .]" 1
419 1 57 CYS HA 1 68 PRO HA . . 3.500 2.499 2.475 2.534 . 0 0 "[ . 1 .]" 1
420 1 57 CYS HB2 1 68 PRO HA . . 3.700 3.451 3.396 3.522 . 0 0 "[ . 1 .]" 1
421 1 57 CYS HB3 1 68 PRO HA . . 3.700 2.603 2.488 2.758 . 0 0 "[ . 1 .]" 1
422 1 57 CYS QB 1 68 PRO QB . . 4.960 3.534 3.453 3.683 . 0 0 "[ . 1 .]" 1
423 1 57 CYS H 1 69 VAL QG . . 4.350 3.669 3.388 3.761 . 0 0 "[ . 1 .]" 1
424 1 57 CYS H 1 69 VAL H . . 4.310 4.357 4.342 4.379 0.069 15 0 "[ . 1 .]" 1
425 1 57 CYS HA 1 69 VAL H . . 3.340 2.609 2.568 2.659 . 0 0 "[ . 1 .]" 1
426 1 57 CYS HA 1 69 VAL QG . . 4.680 2.616 2.067 2.750 . 0 0 "[ . 1 .]" 1
427 1 57 CYS HA 1 69 VAL MG2 . . 4.680 2.744 2.076 2.942 . 0 0 "[ . 1 .]" 1
428 1 57 CYS HA 1 69 VAL MG1 . . 4.680 3.397 3.252 3.824 . 0 0 "[ . 1 .]" 1
429 1 57 CYS HB2 1 69 VAL H . . 4.710 4.737 4.713 4.779 0.069 14 0 "[ . 1 .]" 1
430 1 57 CYS HB3 1 69 VAL H . . 4.710 3.961 3.884 4.035 . 0 0 "[ . 1 .]" 1
431 1 57 CYS H 1 109 LEU QD . . 4.160 2.116 1.853 2.335 . 0 0 "[ . 1 .]" 1
432 1 57 CYS H 1 109 LEU HA . . 4.000 3.826 3.748 3.923 . 0 0 "[ . 1 .]" 1
433 1 57 CYS H 1 109 LEU HG . . 4.310 3.275 2.951 3.636 . 0 0 "[ . 1 .]" 1
434 1 57 CYS H 1 110 LEU QB . . 4.230 3.865 3.744 3.999 . 0 0 "[ . 1 .]" 1
435 1 57 CYS H 1 110 LEU H . . 3.660 2.988 2.860 3.082 . 0 0 "[ . 1 .]" 1
436 1 57 CYS H 1 110 LEU QD . . 4.920 4.869 4.772 4.928 0.008 2 0 "[ . 1 .]" 1
437 1 57 CYS HA 1 110 LEU H . . 4.670 4.782 4.718 4.832 0.162 2 0 "[ . 1 .]" 1
438 1 57 CYS QB 1 110 LEU QB . . 4.180 4.255 4.157 4.397 0.217 14 0 "[ . 1 .]" 1
439 1 57 CYS QB 1 110 LEU H . . 4.960 4.409 4.359 4.492 . 0 0 "[ . 1 .]" 1
440 1 57 CYS H 1 111 CYS HA . . 4.240 3.703 3.547 3.818 . 0 0 "[ . 1 .]" 1
441 1 57 CYS H 1 116 ILE MD . . 4.960 4.685 3.939 4.958 . 0 0 "[ . 1 .]" 1
442 1 58 TYR H 1 59 TYR H . . 4.510 4.478 4.465 4.494 . 0 0 "[ . 1 .]" 1
443 1 58 TYR HA 1 59 TYR H . . 3.180 2.274 2.254 2.288 . 0 0 "[ . 1 .]" 1
444 1 58 TYR H 1 66 TYR HE2 . . 4.800 4.780 4.597 4.819 0.019 12 0 "[ . 1 .]" 1
445 1 58 TYR H 1 66 TYR HA . . 4.350 4.444 4.422 4.475 0.125 13 0 "[ . 1 .]" 1
446 1 58 TYR HA 1 66 TYR HD2 . . 4.030 3.150 2.928 3.326 . 0 0 "[ . 1 .]" 1
447 1 58 TYR HA 1 66 TYR HE2 . . 4.030 2.622 2.489 2.772 . 0 0 "[ . 1 .]" 1
448 1 58 TYR H 1 67 ILE MG . . 4.750 4.877 4.863 4.920 0.170 14 0 "[ . 1 .]" 1
449 1 58 TYR H 1 67 ILE H . . 3.640 2.968 2.920 3.041 . 0 0 "[ . 1 .]" 1
450 1 58 TYR H 1 67 ILE MD . . 4.550 4.598 4.571 4.629 0.079 12 0 "[ . 1 .]" 1
451 1 58 TYR H 1 68 PRO HA . . 4.160 4.199 4.181 4.215 0.055 7 0 "[ . 1 .]" 1
452 1 58 TYR H 1 69 VAL QG . . 4.770 2.614 2.403 2.668 . 0 0 "[ . 1 .]" 1
453 1 58 TYR H 1 69 VAL MG1 . . 4.770 2.944 2.835 3.451 . 0 0 "[ . 1 .]" 1
454 1 58 TYR H 1 69 VAL MG2 . . 4.770 2.982 2.452 3.168 . 0 0 "[ . 1 .]" 1
455 1 58 TYR H 1 69 VAL H . . 4.710 4.130 4.070 4.281 . 0 0 "[ . 1 .]" 1
456 1 58 TYR HB2 1 69 VAL MG1 . . 4.830 4.888 4.867 4.940 0.110 13 0 "[ . 1 .]" 1
457 1 58 TYR HB2 1 69 VAL MG2 . . 4.830 4.155 3.901 4.379 . 0 0 "[ . 1 .]" 1
458 1 58 TYR HB3 1 69 VAL MG1 . . 4.830 3.632 3.593 3.752 . 0 0 "[ . 1 .]" 1
459 1 58 TYR HB3 1 69 VAL MG2 . . 4.830 2.618 2.344 2.860 . 0 0 "[ . 1 .]" 1
460 1 58 TYR QD 1 69 VAL H . . 4.770 4.745 4.620 4.775 0.005 5 0 "[ . 1 .]" 1
461 1 58 TYR QB 1 69 VAL QG . . 4.830 2.528 2.296 2.734 . 0 0 "[ . 1 .]" 1
462 1 58 TYR H 1 109 LEU QD . . 4.760 3.044 2.899 3.107 . 0 0 "[ . 1 .]" 1
463 1 58 TYR H 1 109 LEU HA . . 4.650 4.310 4.225 4.450 . 0 0 "[ . 1 .]" 1
464 1 58 TYR HA 1 109 LEU HA . . 3.900 2.303 2.233 2.399 . 0 0 "[ . 1 .]" 1
465 1 58 TYR HA 1 109 LEU QD . . 4.360 2.935 2.676 3.089 . 0 0 "[ . 1 .]" 1
466 1 58 TYR HA 1 109 LEU QB . . 4.740 3.791 3.658 3.981 . 0 0 "[ . 1 .]" 1
467 1 58 TYR QB 1 109 LEU QD . . 4.940 2.070 1.872 2.259 . 0 0 "[ . 1 .]" 1
468 1 58 TYR QB 1 109 LEU HA . . 3.520 2.883 2.681 3.007 . 0 0 "[ . 1 .]" 1
469 1 58 TYR QB 1 109 LEU QB . . 4.780 2.772 2.576 3.047 . 0 0 "[ . 1 .]" 1
470 1 58 TYR QB 1 109 LEU H . . 5.010 4.274 4.059 4.507 . 0 0 "[ . 1 .]" 1
471 1 58 TYR H 1 110 LEU H . . 4.860 4.859 4.746 4.891 0.031 4 0 "[ . 1 .]" 1
472 1 58 TYR HA 1 110 LEU H . . 4.410 3.360 3.188 3.456 . 0 0 "[ . 1 .]" 1
473 1 58 TYR HA 1 110 LEU QD . . 4.490 4.176 3.910 4.347 . 0 0 "[ . 1 .]" 1
474 1 58 TYR QB 1 110 LEU H . . 4.840 4.455 4.242 4.534 . 0 0 "[ . 1 .]" 1
475 1 59 TYR H 1 60 SER H . . 4.310 4.293 4.257 4.314 0.004 5 0 "[ . 1 .]" 1
476 1 59 TYR HA 1 60 SER H . . 3.160 2.178 2.170 2.193 . 0 0 "[ . 1 .]" 1
477 1 59 TYR H 1 66 TYR HA . . 4.780 4.124 4.092 4.179 . 0 0 "[ . 1 .]" 1
478 1 59 TYR HA 1 66 TYR HA . . 3.590 2.001 1.982 2.040 . 0 0 "[ . 1 .]" 1
479 1 59 TYR QB 1 66 TYR HA . . 4.610 3.965 3.875 4.104 . 0 0 "[ . 1 .]" 1
480 1 59 TYR QB 1 66 TYR HE2 . . 4.760 4.065 3.867 4.207 . 0 0 "[ . 1 .]" 1
481 1 59 TYR QB 1 66 TYR HD1 . . 5.190 3.625 3.393 4.004 . 0 0 "[ . 1 .]" 1
482 1 59 TYR HA 1 67 ILE H . . 4.260 3.607 3.583 3.655 . 0 0 "[ . 1 .]" 1
483 1 59 TYR HA 1 67 ILE QG . . 4.720 4.716 4.643 4.747 0.027 14 0 "[ . 1 .]" 1
484 1 59 TYR H 1 107 GLY QA . . 4.600 3.360 3.139 3.709 . 0 0 "[ . 1 .]" 1
485 1 59 TYR H 1 107 GLY HA2 . . 4.600 3.809 3.524 4.352 . 0 0 "[ . 1 .]" 1
486 1 59 TYR H 1 107 GLY HA3 . . 4.600 3.740 3.524 4.021 . 0 0 "[ . 1 .]" 1
487 1 59 TYR QB 1 107 GLY QA . . 5.000 2.695 2.396 2.991 . 0 0 "[ . 1 .]" 1
488 1 59 TYR H 1 108 LYS QB . . 4.920 4.131 3.961 4.340 . 0 0 "[ . 1 .]" 1
489 1 59 TYR H 1 108 LYS H . . 4.420 3.447 2.760 3.638 . 0 0 "[ . 1 .]" 1
490 1 59 TYR HB2 1 108 LYS H . . 4.780 3.733 3.259 4.221 . 0 0 "[ . 1 .]" 1
491 1 59 TYR HB3 1 108 LYS H . . 4.780 3.301 2.895 3.750 . 0 0 "[ . 1 .]" 1
492 1 59 TYR H 1 110 LEU QD . . 4.910 4.637 4.389 4.785 . 0 0 "[ . 1 .]" 1
493 1 60 SER H 1 60 SER QB . . 3.370 2.385 2.244 2.460 . 0 0 "[ . 1 .]" 1
494 1 60 SER QB 1 61 ARG H . . 4.290 3.578 3.408 3.941 . 0 0 "[ . 1 .]" 1
495 1 60 SER HA 1 62 SER H . . 4.310 3.575 3.460 3.615 . 0 0 "[ . 1 .]" 1
496 1 60 SER H 1 63 LEU QB . . 4.620 4.664 4.575 4.704 0.084 10 0 "[ . 1 .]" 1
497 1 60 SER H 1 63 LEU QD . . 4.630 4.612 4.568 4.637 0.007 7 0 "[ . 1 .]" 1
498 1 60 SER HA 1 63 LEU H . . 4.510 4.413 4.385 4.459 . 0 0 "[ . 1 .]" 1
499 1 60 SER QB 1 63 LEU QB . . 4.070 3.058 2.336 3.446 . 0 0 "[ . 1 .]" 1
500 1 60 SER QB 1 63 LEU QD . . 4.740 2.166 2.125 2.208 . 0 0 "[ . 1 .]" 1
501 1 60 SER QB 1 63 LEU HG . . 4.480 4.368 4.060 4.523 0.043 10 0 "[ . 1 .]" 1
502 1 60 SER QB 1 63 LEU H . . 4.770 3.015 2.592 3.277 . 0 0 "[ . 1 .]" 1
503 1 60 SER H 1 65 ARG H . . 3.920 3.403 3.358 3.510 . 0 0 "[ . 1 .]" 1
504 1 60 SER H 1 65 ARG QG . . 4.530 4.487 4.440 4.533 0.003 13 0 "[ . 1 .]" 1
505 1 60 SER H 1 65 ARG HA . . 4.680 4.611 4.553 4.686 0.006 12 0 "[ . 1 .]" 1
506 1 60 SER QB 1 65 ARG QG . . 4.520 4.142 3.469 4.485 . 0 0 "[ . 1 .]" 1
507 1 60 SER H 1 66 TYR HA . . 3.850 2.560 2.510 2.601 . 0 0 "[ . 1 .]" 1
508 1 60 SER H 1 67 ILE MG . . 4.170 2.810 2.772 2.882 . 0 0 "[ . 1 .]" 1
509 1 60 SER H 1 67 ILE H . . 4.540 3.182 3.085 3.280 . 0 0 "[ . 1 .]" 1
510 1 60 SER HA 1 67 ILE MD . . 3.510 3.570 3.535 3.622 0.112 10 0 "[ . 1 .]" 1
511 1 60 SER HB2 1 67 ILE MG . . 4.750 2.667 1.925 3.168 . 0 0 "[ . 1 .]" 1
512 1 60 SER HB3 1 67 ILE MG . . 4.750 2.121 1.983 2.358 . 0 0 "[ . 1 .]" 1
513 1 60 SER QB 1 67 ILE MD . . 3.180 1.890 1.856 1.950 . 0 0 "[ . 1 .]" 1
514 1 60 SER QB 1 99 PRO QG . . 4.870 4.037 3.280 4.869 . 0 0 "[ . 1 .]" 1
515 1 61 ARG H 1 61 ARG QD . . 4.270 3.922 3.138 4.271 0.001 7 0 "[ . 1 .]" 1
516 1 61 ARG HA 1 61 ARG QG . . 3.640 2.459 2.100 2.871 . 0 0 "[ . 1 .]" 1
517 1 61 ARG HA 1 61 ARG HD2 . . 3.710 2.867 2.006 3.653 . 0 0 "[ . 1 .]" 1
518 1 61 ARG HA 1 61 ARG HD3 . . 3.710 3.039 2.393 3.527 . 0 0 "[ . 1 .]" 1
519 1 61 ARG QB 1 61 ARG QD . . 2.900 2.165 1.964 2.570 . 0 0 "[ . 1 .]" 1
520 1 61 ARG HA 1 64 ASP H . . 3.480 2.997 2.881 3.304 . 0 0 "[ . 1 .]" 1
521 1 61 ARG QB 1 104 ASP HA . . 3.250 2.851 2.304 3.261 0.011 14 0 "[ . 1 .]" 1
522 1 62 SER H 1 62 SER HB2 . . 3.910 2.511 2.080 3.447 . 0 0 "[ . 1 .]" 1
523 1 62 SER H 1 62 SER HB3 . . 3.910 3.169 2.237 3.516 . 0 0 "[ . 1 .]" 1
524 1 62 SER H 1 63 LEU H . . 3.720 2.582 2.549 2.739 . 0 0 "[ . 1 .]" 1
525 1 62 SER HA 1 63 LEU QD . . 3.820 3.642 3.565 3.826 0.006 12 0 "[ . 1 .]" 1
526 1 62 SER HA 1 63 LEU MD1 . . 4.590 4.148 4.009 4.497 . 0 0 "[ . 1 .]" 1
527 1 62 SER HA 1 63 LEU MD2 . . 4.590 4.043 3.903 4.152 . 0 0 "[ . 1 .]" 1
528 1 62 SER H 1 64 ASP H . . 4.120 3.696 3.617 3.728 . 0 0 "[ . 1 .]" 1
529 1 62 SER QB 1 101 VAL QG . . 4.580 3.248 1.926 4.264 . 0 0 "[ . 1 .]" 1
530 1 63 LEU H 1 63 LEU QD . . 3.550 2.119 1.989 2.352 . 0 0 "[ . 1 .]" 1
531 1 63 LEU H 1 63 LEU HG . . 4.480 4.273 4.031 4.354 . 0 0 "[ . 1 .]" 1
532 1 63 LEU HA 1 63 LEU QD . . 2.710 1.961 1.927 2.026 . 0 0 "[ . 1 .]" 1
533 1 63 LEU HA 1 63 LEU MD2 . . 3.540 3.307 3.208 3.351 . 0 0 "[ . 1 .]" 1
534 1 63 LEU HA 1 63 LEU MD1 . . 3.540 1.975 1.941 2.048 . 0 0 "[ . 1 .]" 1
535 1 63 LEU QB 1 63 LEU QD . . 2.800 1.963 1.937 1.978 . 0 0 "[ . 1 .]" 1
536 1 63 LEU H 1 64 ASP H . . 3.040 2.084 1.937 2.451 . 0 0 "[ . 1 .]" 1
537 1 63 LEU QB 1 64 ASP H . . 3.510 3.401 3.376 3.433 . 0 0 "[ . 1 .]" 1
538 1 63 LEU QD 1 64 ASP H . . 4.390 3.656 3.591 3.755 . 0 0 "[ . 1 .]" 1
539 1 63 LEU QB 1 65 ARG QG . . 3.130 2.193 2.177 2.211 . 0 0 "[ . 1 .]" 1
540 1 63 LEU QB 1 65 ARG QD . . 4.140 3.088 2.644 3.423 . 0 0 "[ . 1 .]" 1
541 1 63 LEU QB 1 67 ILE MD . . 4.180 4.210 4.056 4.261 0.081 14 0 "[ . 1 .]" 1
542 1 63 LEU QD 1 99 PRO QG . . 4.900 3.469 2.899 3.754 . 0 0 "[ . 1 .]" 1
543 1 63 LEU QD 1 99 PRO QB . . 4.630 4.412 3.756 4.652 0.022 13 0 "[ . 1 .]" 1
544 1 64 ASP H 1 64 ASP HA . . 2.790 2.281 2.280 2.282 . 0 0 "[ . 1 .]" 1
545 1 64 ASP H 1 64 ASP HB2 . . 3.500 3.030 3.020 3.044 . 0 0 "[ . 1 .]" 1
546 1 64 ASP H 1 64 ASP HB3 . . 3.500 3.545 3.540 3.553 0.053 2 0 "[ . 1 .]" 1
547 1 64 ASP H 1 65 ARG H . . 3.480 2.926 2.904 2.940 . 0 0 "[ . 1 .]" 1
548 1 65 ARG H 1 65 ARG HA . . 2.770 2.791 2.790 2.793 0.023 12 0 "[ . 1 .]" 1
549 1 65 ARG H 1 65 ARG QG . . 4.580 2.567 2.561 2.575 . 0 0 "[ . 1 .]" 1
550 1 65 ARG HA 1 65 ARG QD . . 4.400 4.138 4.070 4.258 . 0 0 "[ . 1 .]" 1
551 1 65 ARG HB2 1 65 ARG HD2 . . 4.190 2.854 2.047 3.510 . 0 0 "[ . 1 .]" 1
552 1 65 ARG HB2 1 65 ARG HD3 . . 4.190 2.365 2.062 2.853 . 0 0 "[ . 1 .]" 1
553 1 65 ARG HB3 1 65 ARG HD2 . . 4.190 3.810 3.353 4.055 . 0 0 "[ . 1 .]" 1
554 1 65 ARG HB3 1 65 ARG HD3 . . 4.190 3.312 3.080 3.669 . 0 0 "[ . 1 .]" 1
555 1 65 ARG H 1 66 TYR H . . 4.430 4.308 4.273 4.325 . 0 0 "[ . 1 .]" 1
556 1 65 ARG QD 1 66 TYR H . . 4.260 3.748 3.607 3.909 . 0 0 "[ . 1 .]" 1
557 1 67 ILE H 1 67 ILE MD . . 4.350 3.909 3.862 3.947 . 0 0 "[ . 1 .]" 1
558 1 67 ILE MD 1 67 ILE MG . . 2.580 1.899 1.888 1.909 . 0 0 "[ . 1 .]" 1
559 1 67 ILE QG 1 69 VAL QG . . 4.960 2.084 2.013 2.244 . 0 0 "[ . 1 .]" 1
560 1 67 ILE QG 1 69 VAL HA . . 4.570 4.569 4.521 4.592 0.022 7 0 "[ . 1 .]" 1
561 1 67 ILE MG 1 69 VAL QG . . 4.960 4.279 4.211 4.452 . 0 0 "[ . 1 .]" 1
562 1 68 PRO HA 1 69 VAL H . . 3.510 2.152 2.150 2.161 . 0 0 "[ . 1 .]" 1
563 1 69 VAL H 1 69 VAL HA . . 2.780 2.936 2.931 2.942 0.162 15 0 "[ . 1 .]" 1
564 1 69 VAL H 1 69 VAL QG . . 3.150 2.094 2.015 2.186 . 0 0 "[ . 1 .]" 1
565 1 69 VAL H 1 69 VAL MG1 . . 3.830 3.010 2.916 3.342 . 0 0 "[ . 1 .]" 1
566 1 69 VAL H 1 69 VAL MG2 . . 3.830 2.138 2.045 2.252 . 0 0 "[ . 1 .]" 1
567 1 69 VAL HA 1 69 VAL QG . . 2.650 2.242 2.182 2.280 . 0 0 "[ . 1 .]" 1
568 1 69 VAL HA 1 69 VAL MG1 . . 3.090 2.291 2.223 2.336 . 0 0 "[ . 1 .]" 1
569 1 69 VAL HA 1 69 VAL MG2 . . 3.090 3.191 3.172 3.198 0.108 15 0 "[ . 1 .]" 1
570 1 69 VAL HA 1 70 GLU H . . 3.170 2.452 2.447 2.461 . 0 0 "[ . 1 .]" 1
571 1 69 VAL QG 1 70 GLU H . . 3.000 3.043 3.025 3.090 0.090 5 0 "[ . 1 .]" 1
572 1 69 VAL QG 1 71 CYS H . . 4.490 3.980 3.779 4.394 . 0 0 "[ . 1 .]" 1
573 1 69 VAL QG 1 71 CYS QB . . 4.390 4.073 3.659 4.402 0.012 12 0 "[ . 1 .]" 1
574 1 69 VAL HB 1 96 GLY QA . . 4.500 4.187 3.897 4.323 . 0 0 "[ . 1 .]" 1
575 1 69 VAL QG 1 98 GLY QA . . 4.820 3.329 2.997 3.639 . 0 0 "[ . 1 .]" 1
576 1 69 VAL HB 1 109 LEU QD . . 4.970 4.088 3.631 4.284 . 0 0 "[ . 1 .]" 1
577 1 69 VAL QG 1 109 LEU QD . . 4.890 1.972 1.821 2.104 . 0 0 "[ . 1 .]" 1
578 1 70 GLU H 1 70 GLU QB . . 3.010 2.587 2.524 2.634 . 0 0 "[ . 1 .]" 1
579 1 70 GLU H 1 70 GLU HB2 . . 3.790 3.237 3.113 3.346 . 0 0 "[ . 1 .]" 1
580 1 70 GLU H 1 70 GLU HB3 . . 3.790 2.722 2.668 2.800 . 0 0 "[ . 1 .]" 1
581 1 70 GLU HA 1 70 GLU QG . . 2.690 2.517 2.461 2.561 . 0 0 "[ . 1 .]" 1
582 1 70 GLU HA 1 70 GLU HG2 . . 3.410 3.028 2.724 3.210 . 0 0 "[ . 1 .]" 1
583 1 70 GLU HA 1 70 GLU HG3 . . 3.410 2.704 2.565 2.930 . 0 0 "[ . 1 .]" 1
584 1 70 GLU HA 1 71 CYS HA . . 4.640 4.391 4.389 4.393 . 0 0 "[ . 1 .]" 1
585 1 70 GLU QG 1 71 CYS HA . . 3.870 3.729 3.636 3.851 . 0 0 "[ . 1 .]" 1
586 1 70 GLU H 1 96 GLY QA . . 4.380 3.881 3.657 4.230 . 0 0 "[ . 1 .]" 1
587 1 70 GLU H 1 97 GLU H . . 4.430 3.933 3.099 4.499 0.069 8 0 "[ . 1 .]" 1
588 1 71 CYS H 1 71 CYS HB2 . . 4.160 3.192 2.624 3.718 . 0 0 "[ . 1 .]" 1
589 1 71 CYS H 1 71 CYS HB3 . . 4.160 3.581 3.279 3.818 . 0 0 "[ . 1 .]" 1
590 1 71 CYS H 1 72 GLU HA . . 4.820 4.900 4.865 4.932 0.112 14 0 "[ . 1 .]" 1
591 1 71 CYS HA 1 72 GLU H . . 3.250 2.373 2.261 2.718 . 0 0 "[ . 1 .]" 1
592 1 71 CYS QB 1 72 GLU H . . 4.160 2.510 1.959 2.770 . 0 0 "[ . 1 .]" 1
593 1 71 CYS H 1 94 LEU QD . . 4.300 3.784 3.306 4.167 . 0 0 "[ . 1 .]" 1
594 1 71 CYS QB 1 94 LEU QD . . 4.760 2.275 1.807 2.889 . 0 0 "[ . 1 .]" 1
595 1 71 CYS QB 1 94 LEU QB . . 4.920 2.234 1.918 2.671 . 0 0 "[ . 1 .]" 1
596 1 71 CYS HB2 1 95 ILE H . . 4.780 4.050 2.129 4.811 0.031 9 0 "[ . 1 .]" 1
597 1 71 CYS HB3 1 95 ILE H . . 4.780 3.930 3.166 4.788 0.008 12 0 "[ . 1 .]" 1
598 1 71 CYS QB 1 95 ILE H . . 4.780 3.239 2.116 3.396 . 0 0 "[ . 1 .]" 1
599 1 71 CYS HA 1 96 GLY QA . . 3.500 2.012 1.910 2.404 . 0 0 "[ . 1 .]" 1
600 1 71 CYS QB 1 96 GLY QA . . 4.560 2.584 1.947 3.291 . 0 0 "[ . 1 .]" 1
601 1 71 CYS QB 1 96 GLY H . . 4.540 3.355 2.835 3.831 . 0 0 "[ . 1 .]" 1
602 1 72 GLU HA 1 72 GLU QG . . 3.230 3.314 3.299 3.325 0.095 1 0 "[ . 1 .]" 1
603 1 72 GLU QB 1 72 GLU QG . . 2.310 2.082 2.058 2.086 . 0 0 "[ . 1 .]" 1
604 1 72 GLU HA 1 73 ALA H . . 3.100 2.160 2.139 2.196 . 0 0 "[ . 1 .]" 1
605 1 72 GLU H 1 94 LEU HA . . 4.200 3.869 3.439 4.225 0.025 15 0 "[ . 1 .]" 1
606 1 72 GLU H 1 94 LEU QB . . 4.490 4.282 3.997 4.514 0.024 3 0 "[ . 1 .]" 1
607 1 72 GLU H 1 94 LEU QD . . 4.780 3.618 2.565 4.171 . 0 0 "[ . 1 .]" 1
608 1 72 GLU H 1 95 ILE H . . 3.620 2.991 2.358 3.189 . 0 0 "[ . 1 .]" 1
609 1 72 GLU H 1 95 ILE HA . . 4.460 4.458 4.277 4.531 0.071 8 0 "[ . 1 .]" 1
610 1 72 GLU H 1 95 ILE HB . . 3.980 3.860 3.445 3.984 0.004 12 0 "[ . 1 .]" 1
611 1 72 GLU HG2 1 95 ILE HB . . 3.610 3.447 2.863 3.620 0.010 12 0 "[ . 1 .]" 1
612 1 72 GLU HG3 1 95 ILE HB . . 3.610 2.870 2.046 3.190 . 0 0 "[ . 1 .]" 1
613 1 72 GLU QG 1 95 ILE HB . . 3.150 2.730 2.004 2.991 . 0 0 "[ . 1 .]" 1
614 1 72 GLU H 1 96 GLY QA . . 4.340 3.437 3.244 3.716 . 0 0 "[ . 1 .]" 1
615 1 72 GLU H 1 96 GLY HA2 . . 4.340 3.617 3.365 3.953 . 0 0 "[ . 1 .]" 1
616 1 72 GLU H 1 96 GLY H . . 4.880 4.661 4.500 4.865 . 0 0 "[ . 1 .]" 1
617 1 73 ALA H 1 73 ALA MB . . 2.670 2.128 2.046 2.268 . 0 0 "[ . 1 .]" 1
618 1 73 ALA HA 1 74 HIS H . . 3.120 2.166 2.144 2.196 . 0 0 "[ . 1 .]" 1
619 1 73 ALA MB 1 75 ASP H . . 4.870 4.748 4.422 4.971 0.101 12 0 "[ . 1 .]" 1
620 1 73 ALA H 1 94 LEU QD . . 4.640 3.295 2.867 3.534 . 0 0 "[ . 1 .]" 1
621 1 73 ALA H 1 94 LEU MD1 . . 4.640 4.018 2.916 4.668 0.028 7 0 "[ . 1 .]" 1
622 1 73 ALA H 1 94 LEU MD2 . . 4.640 3.773 3.360 4.250 . 0 0 "[ . 1 .]" 1
623 1 73 ALA H 1 94 LEU HA . . 4.910 4.582 4.126 4.933 0.023 10 0 "[ . 1 .]" 1
624 1 73 ALA HA 1 94 LEU QD . . 3.490 2.419 1.825 2.965 . 0 0 "[ . 1 .]" 1
625 1 73 ALA HA 1 94 LEU HA . . 3.090 2.765 2.349 3.172 0.082 14 0 "[ . 1 .]" 1
626 1 73 ALA MB 1 94 LEU MD1 . . 5.000 2.549 2.137 3.226 . 0 0 "[ . 1 .]" 1
627 1 73 ALA MB 1 94 LEU MD2 . . 5.000 2.849 2.196 3.369 . 0 0 "[ . 1 .]" 1
628 1 74 HIS H 1 75 ASP H . . 4.450 4.281 4.021 4.418 . 0 0 "[ . 1 .]" 1
629 1 74 HIS QB 1 75 ASP H . . 4.330 3.388 3.149 3.618 . 0 0 "[ . 1 .]" 1
630 1 74 HIS HA 1 76 TRP H . . 4.140 3.691 3.513 3.855 . 0 0 "[ . 1 .]" 1
631 1 74 HIS HB2 1 76 TRP H . . 4.280 4.005 2.505 4.318 0.038 13 0 "[ . 1 .]" 1
632 1 74 HIS HB3 1 76 TRP H . . 4.280 2.827 2.543 3.969 . 0 0 "[ . 1 .]" 1
633 1 74 HIS QB 1 77 TYR QB . . 4.150 3.088 2.687 3.418 . 0 0 "[ . 1 .]" 1
634 1 74 HIS QB 1 77 TYR H . . 4.870 4.602 4.292 4.921 0.051 8 0 "[ . 1 .]" 1
635 1 74 HIS H 1 92 ASN HA . . 4.830 4.459 3.878 4.839 0.009 15 0 "[ . 1 .]" 1
636 1 74 HIS H 1 93 LEU H . . 3.860 3.197 2.650 3.722 . 0 0 "[ . 1 .]" 1
637 1 74 HIS H 1 93 LEU HB2 . . 4.000 4.009 3.860 4.174 0.174 4 0 "[ . 1 .]" 1
638 1 74 HIS H 1 93 LEU HB3 . . 4.790 4.937 4.516 5.213 0.423 14 0 "[ . 1 .]" 1
639 1 74 HIS H 1 93 LEU HA . . 4.930 4.808 4.516 4.970 0.040 3 0 "[ . 1 .]" 1
640 1 74 HIS QB 1 93 LEU QB . . 4.880 2.840 2.267 4.279 . 0 0 "[ . 1 .]" 1
641 1 74 HIS H 1 94 LEU HA . . 3.750 3.342 3.126 3.740 . 0 0 "[ . 1 .]" 1
642 1 74 HIS H 1 94 LEU QD . . 4.770 3.371 2.460 4.102 . 0 0 "[ . 1 .]" 1
643 1 74 HIS H 1 95 ILE H . . 4.940 4.445 3.991 4.945 0.005 2 0 "[ . 1 .]" 1
644 1 75 ASP H 1 76 TRP H . . 4.160 2.771 2.717 2.827 . 0 0 "[ . 1 .]" 1
645 1 75 ASP HA 1 92 ASN HA . . 3.620 3.649 3.620 3.678 0.058 7 0 "[ . 1 .]" 1
646 1 75 ASP HA 1 92 ASN H . . 5.070 3.097 2.947 3.294 . 0 0 "[ . 1 .]" 1
647 1 76 TRP HB2 1 77 TYR H . . 4.250 2.808 2.259 3.149 . 0 0 "[ . 1 .]" 1
648 1 76 TRP HB3 1 77 TYR H . . 4.250 3.967 3.536 4.205 . 0 0 "[ . 1 .]" 1
649 1 76 TRP HA 1 89 ILE MG . . 4.390 3.663 3.343 4.091 . 0 0 "[ . 1 .]" 1
650 1 76 TRP QB 1 89 ILE MG . . 4.020 2.080 1.885 2.497 . 0 0 "[ . 1 .]" 1
651 1 76 TRP HA 1 90 GLN H . . 4.600 4.493 4.198 4.629 0.029 10 0 "[ . 1 .]" 1
652 1 76 TRP H 1 91 TYR HA . . 4.500 4.450 4.249 4.558 0.058 12 0 "[ . 1 .]" 1
653 1 76 TRP HA 1 91 TYR HA . . 2.870 2.200 1.996 2.320 . 0 0 "[ . 1 .]" 1
654 1 76 TRP HA 1 91 TYR HB3 . . 4.500 4.428 3.744 4.836 0.336 2 0 "[ . 1 .]" 1
655 1 76 TRP QB 1 91 TYR HA . . 3.710 2.933 2.314 3.507 . 0 0 "[ . 1 .]" 1
656 1 76 TRP HA 1 92 ASN H . . 4.460 3.550 3.306 3.821 . 0 0 "[ . 1 .]" 1
657 1 76 TRP H 1 93 LEU H . . 4.920 4.725 4.562 4.955 0.035 2 0 "[ . 1 .]" 1
658 1 76 TRP HA 1 93 LEU H . . 4.340 4.335 4.220 4.370 0.030 14 0 "[ . 1 .]" 1
659 1 76 TRP HA 1 93 LEU HB2 . . 4.390 4.450 4.395 4.510 0.120 8 0 "[ . 1 .]" 1
660 1 77 TYR H 1 89 ILE MD . . 4.740 4.563 4.236 4.847 0.107 8 0 "[ . 1 .]" 1
661 1 77 TYR H 1 89 ILE MG . . 4.130 2.622 1.991 2.830 . 0 0 "[ . 1 .]" 1
662 1 77 TYR H 1 89 ILE HA . . 4.300 4.300 3.761 4.386 0.086 9 0 "[ . 1 .]" 1
663 1 77 TYR H 1 90 GLN H . . 3.960 2.881 2.558 3.088 . 0 0 "[ . 1 .]" 1
664 1 77 TYR H 1 91 TYR HA . . 3.990 3.913 3.673 4.024 0.034 8 0 "[ . 1 .]" 1
665 1 77 TYR H 1 93 LEU QD . . 4.530 3.010 2.063 4.286 . 0 0 "[ . 1 .]" 1
666 1 77 TYR QB 1 93 LEU QD . . 4.400 2.571 1.844 4.148 . 0 0 "[ . 1 .]" 1
667 1 78 PRO HA 1 79 VAL QG . . 3.410 3.402 3.287 3.531 0.121 9 0 "[ . 1 .]" 1
668 1 78 PRO QB 1 79 VAL H . . 3.910 3.167 2.944 3.334 . 0 0 "[ . 1 .]" 1
669 1 78 PRO HA 1 89 ILE HA . . 2.810 2.472 2.104 2.863 0.053 9 0 "[ . 1 .]" 1
670 1 78 PRO HA 1 89 ILE MD . . 3.290 1.897 1.876 1.959 . 0 0 "[ . 1 .]" 1
671 1 78 PRO HA 1 89 ILE QG . . 4.780 3.803 2.379 3.993 . 0 0 "[ . 1 .]" 1
672 1 78 PRO HB2 1 89 ILE MD . . 4.970 3.443 3.158 3.720 . 0 0 "[ . 1 .]" 1
673 1 78 PRO HB3 1 89 ILE MD . . 4.970 2.374 2.037 2.846 . 0 0 "[ . 1 .]" 1
674 1 78 PRO QG 1 89 ILE MD . . 4.970 3.737 3.305 4.178 . 0 0 "[ . 1 .]" 1
675 1 78 PRO HA 1 90 GLN H . . 4.620 3.807 3.520 4.149 . 0 0 "[ . 1 .]" 1
676 1 79 VAL H 1 79 VAL QG . . 3.320 2.073 1.893 2.795 . 0 0 "[ . 1 .]" 1
677 1 79 VAL HA 1 79 VAL MG1 . . 3.040 3.129 2.352 3.195 0.155 11 0 "[ . 1 .]" 1
678 1 79 VAL HA 1 79 VAL MG2 . . 3.040 2.422 2.347 2.471 . 0 0 "[ . 1 .]" 1
679 1 79 VAL H 1 80 GLU H . . 4.150 4.097 3.880 4.347 0.197 9 0 "[ . 1 .]" 1
680 1 79 VAL QG 1 80 GLU QG . . 4.470 3.675 3.048 4.459 . 0 0 "[ . 1 .]" 1
681 1 79 VAL H 1 87 LYS HA . . 4.660 4.584 4.444 4.678 0.018 2 0 "[ . 1 .]" 1
682 1 79 VAL QG 1 87 LYS QE . . 4.050 4.053 3.780 4.186 0.136 15 0 "[ . 1 .]" 1
683 1 79 VAL H 1 88 HIS H . . 3.030 3.031 2.900 3.145 0.115 9 0 "[ . 1 .]" 1
684 1 79 VAL H 1 88 HIS HA . . 4.680 4.645 4.381 4.722 0.042 7 0 "[ . 1 .]" 1
685 1 79 VAL QG 1 88 HIS H . . 4.650 2.457 2.055 2.903 . 0 0 "[ . 1 .]" 1
686 1 79 VAL H 1 89 ILE H . . 4.890 4.851 4.736 4.953 0.063 9 0 "[ . 1 .]" 1
687 1 79 VAL H 1 89 ILE HA . . 3.440 3.115 2.960 3.341 . 0 0 "[ . 1 .]" 1
688 1 79 VAL MG1 1 90 GLN HB2 . . 5.000 3.505 2.978 5.215 0.215 9 0 "[ . 1 .]" 1
689 1 79 VAL MG2 1 90 GLN HB2 . . 5.000 4.751 2.916 5.540 0.540 2 1 "[ + . 1 .]" 1
690 1 80 GLU H 1 80 GLU QB . . 3.530 2.562 2.288 2.870 . 0 0 "[ . 1 .]" 1
691 1 80 GLU HA 1 80 GLU QG . . 3.210 2.991 2.414 3.328 0.118 13 0 "[ . 1 .]" 1
692 1 80 GLU QB 1 80 GLU QG . . 2.300 2.053 2.019 2.087 . 0 0 "[ . 1 .]" 1
693 1 80 GLU QB 1 81 GLU H . . 3.820 2.991 2.692 3.867 0.047 15 0 "[ . 1 .]" 1
694 1 80 GLU HA 1 88 HIS H . . 4.360 4.167 3.805 4.400 0.040 13 0 "[ . 1 .]" 1
695 1 81 GLU H 1 81 GLU QB . . 3.600 2.530 2.234 2.851 . 0 0 "[ . 1 .]" 1
696 1 81 GLU HA 1 82 THR H . . 3.130 2.214 2.138 2.608 . 0 0 "[ . 1 .]" 1
697 1 81 GLU H 1 86 PRO HA . . 4.740 4.465 3.556 4.795 0.055 5 0 "[ . 1 .]" 1
698 1 81 GLU QB 1 86 PRO HA . . 3.260 2.372 1.940 3.257 . 0 0 "[ . 1 .]" 1
699 1 81 GLU H 1 87 LYS QB . . 4.570 2.931 1.918 3.759 . 0 0 "[ . 1 .]" 1
700 1 81 GLU H 1 87 LYS HB2 . . 4.570 3.002 1.924 3.930 . 0 0 "[ . 1 .]" 1
701 1 81 GLU H 1 87 LYS HB3 . . 4.570 4.301 3.658 4.786 0.216 15 0 "[ . 1 .]" 1
702 1 81 GLU H 1 87 LYS HA . . 3.780 2.763 1.773 3.007 . 0 0 "[ . 1 .]" 1
703 1 81 GLU H 1 87 LYS QD . . 4.930 3.839 2.296 4.530 . 0 0 "[ . 1 .]" 1
704 1 81 GLU H 1 87 LYS H . . 3.830 3.634 3.244 3.860 0.030 14 0 "[ . 1 .]" 1
705 1 81 GLU H 1 87 LYS HG3 . . 3.950 3.596 2.630 4.884 0.934 12 2 "[ - 1 + .]" 1
706 1 81 GLU H 1 87 LYS QE . . 4.450 3.515 1.953 4.228 . 0 0 "[ . 1 .]" 1
707 1 81 GLU QB 1 87 LYS QG . . 4.390 3.896 2.998 4.463 0.073 13 0 "[ . 1 .]" 1
708 1 81 GLU QB 1 87 LYS H . . 3.450 2.265 1.929 3.514 0.064 13 0 "[ . 1 .]" 1
709 1 81 GLU QG 1 87 LYS QE . . 4.940 4.788 4.100 4.990 0.050 4 0 "[ . 1 .]" 1
710 1 81 GLU H 1 88 HIS H . . 4.830 4.665 3.254 4.926 0.096 8 0 "[ . 1 .]" 1
711 1 87 LYS H 1 87 LYS HB2 . . 3.860 2.280 2.067 2.761 . 0 0 "[ . 1 .]" 1
712 1 87 LYS H 1 87 LYS HB3 . . 3.860 2.923 2.318 3.384 . 0 0 "[ . 1 .]" 1
713 1 87 LYS H 1 87 LYS QG . . 4.090 3.724 3.187 3.994 . 0 0 "[ . 1 .]" 1
714 1 87 LYS H 1 87 LYS HG3 . . 4.680 4.282 3.792 4.610 . 0 0 "[ . 1 .]" 1
715 1 87 LYS H 1 87 LYS HG2 . . 4.680 4.150 3.393 4.646 . 0 0 "[ . 1 .]" 1
716 1 87 LYS HA 1 87 LYS HG3 . . 3.960 3.174 2.089 3.586 . 0 0 "[ . 1 .]" 1
717 1 87 LYS HA 1 87 LYS HG2 . . 3.960 2.813 2.059 3.816 . 0 0 "[ . 1 .]" 1
718 1 87 LYS QB 1 87 LYS QE . . 4.110 3.324 2.225 3.783 . 0 0 "[ . 1 .]" 1
719 1 87 LYS QD 1 87 LYS QE . . 2.300 2.044 1.987 2.090 . 0 0 "[ . 1 .]" 1
720 1 87 LYS QE 1 87 LYS QG . . 3.080 2.146 1.945 2.384 . 0 0 "[ . 1 .]" 1
721 1 79 VAL MG1 1 88 HIS H . . 3.000 2.481 2.062 2.996 . 0 0 "[ . 1 .]" 1
722 1 89 ILE HA 1 89 ILE MG . . 3.090 2.234 2.165 2.612 . 0 0 "[ . 1 .]" 1
723 1 89 ILE HA 1 89 ILE QG . . 3.490 2.982 2.351 3.061 . 0 0 "[ . 1 .]" 1
724 1 89 ILE HG12 1 89 ILE MG . . 3.250 3.129 2.320 3.193 . 0 0 "[ . 1 .]" 1
725 1 89 ILE HG13 1 89 ILE MG . . 3.250 2.294 2.243 2.421 . 0 0 "[ . 1 .]" 1
726 1 89 ILE MD 1 90 GLN H . . 4.250 3.789 3.355 4.263 0.013 8 0 "[ . 1 .]" 1
727 1 90 GLN H 1 90 GLN QB . . 3.670 2.360 2.187 2.633 . 0 0 "[ . 1 .]" 1
728 1 90 GLN H 1 90 GLN HG2 . . 4.330 3.733 2.655 4.325 . 0 0 "[ . 1 .]" 1
729 1 90 GLN H 1 90 GLN HG3 . . 4.330 3.519 2.400 4.288 . 0 0 "[ . 1 .]" 1
730 1 90 GLN HA 1 90 GLN HG2 . . 3.920 2.392 2.024 2.834 . 0 0 "[ . 1 .]" 1
731 1 90 GLN HA 1 90 GLN HG3 . . 3.920 3.265 2.598 3.786 . 0 0 "[ . 1 .]" 1
732 1 90 GLN HB2 1 93 LEU MD1 . . 5.050 2.475 1.923 3.736 . 0 0 "[ . 1 .]" 1
733 1 90 GLN HB2 1 93 LEU MD2 . . 5.050 2.886 2.185 3.622 . 0 0 "[ . 1 .]" 1
734 1 90 GLN HB3 1 93 LEU MD2 . . 5.050 2.285 1.925 2.676 . 0 0 "[ . 1 .]" 1
735 1 90 GLN HB3 1 93 LEU MD1 . . 5.050 2.708 2.040 3.947 . 0 0 "[ . 1 .]" 1
736 1 90 GLN QB 1 93 LEU QD . . 4.470 1.841 1.682 2.083 . 0 0 "[ . 1 .]" 1
737 1 90 GLN QG 1 93 LEU QD . . 4.670 3.143 2.697 3.573 . 0 0 "[ . 1 .]" 1
738 1 89 ILE MG 1 91 TYR HE1 . . 3.000 2.815 1.964 2.950 . 0 0 "[ . 1 .]" 1
739 1 89 ILE HB 1 91 TYR HE1 . . 3.500 3.495 3.344 3.550 0.050 8 0 "[ . 1 .]" 1
740 1 91 TYR H 1 92 ASN H . . 4.360 4.427 4.266 4.570 0.210 8 0 "[ . 1 .]" 1
741 1 91 TYR HA 1 92 ASN H . . 3.200 2.304 2.195 2.417 . 0 0 "[ . 1 .]" 1
742 1 91 TYR H 1 93 LEU QD . . 4.570 3.070 2.054 3.713 . 0 0 "[ . 1 .]" 1
743 1 92 ASN H 1 92 ASN HB2 . . 3.820 3.809 3.761 3.867 0.047 10 0 "[ . 1 .]" 1
744 1 92 ASN H 1 92 ASN HB3 . . 3.820 3.877 3.842 3.923 0.103 7 0 "[ . 1 .]" 1
745 1 92 ASN H 1 93 LEU H . . 3.220 3.020 2.762 3.188 . 0 0 "[ . 1 .]" 1
746 1 92 ASN H 1 93 LEU QD . . 4.070 3.964 3.495 4.156 0.086 15 0 "[ . 1 .]" 1
747 1 92 ASN HA 1 131 ASP H . . 4.430 4.536 4.473 4.643 0.213 4 0 "[ . 1 .]" 1
748 1 92 ASN HB2 1 131 ASP H . . 3.890 2.987 2.452 3.389 . 0 0 "[ . 1 .]" 1
749 1 92 ASN HB3 1 131 ASP H . . 3.890 3.545 3.235 3.862 . 0 0 "[ . 1 .]" 1
750 1 92 ASN QB 1 134 PRO QG . . 4.430 2.514 1.933 3.180 . 0 0 "[ . 1 .]" 1
751 1 93 LEU H 1 93 LEU HG . . 3.870 3.256 2.809 4.047 0.177 4 0 "[ . 1 .]" 1
752 1 93 LEU H 1 93 LEU HB2 . . 3.960 2.551 2.224 2.733 . 0 0 "[ . 1 .]" 1
753 1 93 LEU H 1 93 LEU HB3 . . 3.960 3.709 3.502 3.809 . 0 0 "[ . 1 .]" 1
754 1 93 LEU QB 1 93 LEU QD . . 2.420 1.899 1.759 2.051 . 0 0 "[ . 1 .]" 1
755 1 93 LEU QD 1 94 LEU H . . 3.910 3.351 2.805 3.753 . 0 0 "[ . 1 .]" 1
756 1 93 LEU QB 1 95 ILE QG . . 4.870 3.322 3.001 3.944 . 0 0 "[ . 1 .]" 1
757 1 93 LEU QD 1 95 ILE MD . . 4.830 4.061 3.360 4.923 0.093 15 0 "[ . 1 .]" 1
758 1 93 LEU QD 1 120 THR MG . . 4.210 2.474 1.864 3.062 . 0 0 "[ . 1 .]" 1
759 1 93 LEU QD 1 128 ALA MB . . 4.800 2.840 2.019 3.698 . 0 0 "[ . 1 .]" 1
760 1 93 LEU HA 1 129 PHE H . . 4.300 3.991 3.573 4.427 0.127 15 0 "[ . 1 .]" 1
761 1 93 LEU QD 1 129 PHE H . . 4.460 3.893 2.953 4.503 0.043 15 0 "[ . 1 .]" 1
762 1 93 LEU QD 1 130 THR H . . 4.780 4.537 4.143 4.816 0.036 13 0 "[ . 1 .]" 1
763 1 93 LEU HA 1 131 ASP H . . 4.130 3.421 2.919 4.122 . 0 0 "[ . 1 .]" 1
764 1 93 LEU QD 1 131 ASP H . . 4.260 3.872 3.160 4.292 0.032 9 0 "[ . 1 .]" 1
765 1 94 LEU H 1 94 LEU QD . . 3.870 3.063 2.698 3.422 . 0 0 "[ . 1 .]" 1
766 1 94 LEU HA 1 94 LEU MD1 . . 3.300 2.911 2.302 3.300 0.000 2 0 "[ . 1 .]" 1
767 1 94 LEU HA 1 94 LEU MD2 . . 3.300 2.819 1.954 3.386 0.086 7 0 "[ . 1 .]" 1
768 1 94 LEU H 1 95 ILE H . . 4.310 4.006 3.818 4.519 0.209 15 0 "[ . 1 .]" 1
769 1 94 LEU QD 1 109 LEU QD . . 4.940 2.849 2.424 3.308 . 0 0 "[ . 1 .]" 1
770 1 94 LEU QD 1 109 LEU HG . . 4.870 4.920 4.624 5.089 0.219 4 0 "[ . 1 .]" 1
771 1 94 LEU QD 1 116 ILE MD . . 4.850 2.938 2.653 3.506 . 0 0 "[ . 1 .]" 1
772 1 94 LEU H 1 129 PHE H . . 3.840 2.217 1.892 2.524 . 0 0 "[ . 1 .]" 1
773 1 94 LEU HA 1 129 PHE H . . 4.580 4.227 4.066 4.624 0.044 14 0 "[ . 1 .]" 1
774 1 94 LEU HB2 1 129 PHE H . . 4.410 3.160 2.582 3.658 . 0 0 "[ . 1 .]" 1
775 1 94 LEU HB3 1 129 PHE H . . 4.410 3.803 3.392 4.281 . 0 0 "[ . 1 .]" 1
776 1 94 LEU QB 1 129 PHE QB . . 4.070 2.035 1.811 4.154 0.084 14 0 "[ . 1 .]" 1
777 1 94 LEU H 1 131 ASP H . . 4.660 4.491 4.084 4.758 0.098 14 0 "[ . 1 .]" 1
778 1 94 LEU QD 1 131 ASP HA . . 4.920 3.391 2.902 4.035 . 0 0 "[ . 1 .]" 1
779 1 94 LEU QD 1 131 ASP H . . 4.720 3.547 3.236 3.933 . 0 0 "[ . 1 .]" 1
780 1 95 ILE H 1 95 ILE HB . . 4.030 2.359 2.285 2.788 . 0 0 "[ . 1 .]" 1
781 1 95 ILE HA 1 95 ILE MG . . 3.160 2.541 2.476 2.657 . 0 0 "[ . 1 .]" 1
782 1 95 ILE HA 1 95 ILE QG . . 3.670 2.574 2.372 2.650 . 0 0 "[ . 1 .]" 1
783 1 95 ILE MD 1 95 ILE MG . . 2.910 1.995 1.808 2.063 . 0 0 "[ . 1 .]" 1
784 1 95 ILE MG 1 96 GLY H . . 3.500 2.536 2.289 2.837 . 0 0 "[ . 1 .]" 1
785 1 95 ILE MD 1 121 ALA MB . . 4.210 3.686 3.145 4.242 0.032 9 0 "[ . 1 .]" 1
786 1 95 ILE MD 1 126 HIS HA . . 4.420 4.437 4.196 4.487 0.067 15 0 "[ . 1 .]" 1
787 1 95 ILE MG 1 126 HIS QB . . 4.850 2.563 1.893 3.705 . 0 0 "[ . 1 .]" 1
788 1 95 ILE HA 1 127 VAL H . . 4.550 4.242 3.900 4.599 0.049 6 0 "[ . 1 .]" 1
789 1 95 ILE MG 1 127 VAL H . . 4.420 3.463 3.058 3.799 . 0 0 "[ . 1 .]" 1
790 1 95 ILE HA 1 128 ALA HA . . 2.890 2.178 2.043 2.593 . 0 0 "[ . 1 .]" 1
791 1 95 ILE MD 1 128 ALA MB . . 4.950 1.909 1.798 2.117 . 0 0 "[ . 1 .]" 1
792 1 95 ILE MD 1 128 ALA HA . . 4.950 2.232 1.948 3.119 . 0 0 "[ . 1 .]" 1
793 1 95 ILE QG 1 128 ALA MB . . 4.800 2.561 1.936 2.989 . 0 0 "[ . 1 .]" 1
794 1 95 ILE QG 1 128 ALA HA . . 3.850 3.021 2.681 3.261 . 0 0 "[ . 1 .]" 1
795 1 95 ILE QG 1 128 ALA H . . 4.850 4.902 4.851 5.017 0.167 15 0 "[ . 1 .]" 1
796 1 95 ILE H 1 129 PHE H . . 4.950 4.477 4.157 4.878 . 0 0 "[ . 1 .]" 1
797 1 95 ILE HA 1 129 PHE H . . 3.770 3.745 3.333 3.854 0.084 14 0 "[ . 1 .]" 1
798 1 95 ILE HG12 1 129 PHE H . . 4.220 4.176 3.693 4.315 0.095 14 0 "[ . 1 .]" 1
799 1 95 ILE QG 1 129 PHE H . . 4.220 4.094 3.635 4.229 0.009 14 0 "[ . 1 .]" 1
800 1 96 GLY QA 1 97 GLU H . . 2.870 2.185 2.117 2.262 . 0 0 "[ . 1 .]" 1
801 1 96 GLY H 1 127 VAL H . . 3.700 2.754 2.427 3.420 . 0 0 "[ . 1 .]" 1
802 1 96 GLY H 1 127 VAL QG . . 3.990 2.905 2.664 3.783 . 0 0 "[ . 1 .]" 1
803 1 96 GLY QA 1 127 VAL H . . 4.890 3.970 3.726 4.442 . 0 0 "[ . 1 .]" 1
804 1 96 GLY H 1 128 ALA HA . . 4.080 3.614 3.341 4.073 . 0 0 "[ . 1 .]" 1
805 1 97 GLU H 1 97 GLU HB2 . . 3.370 2.511 2.162 2.854 . 0 0 "[ . 1 .]" 1
806 1 97 GLU H 1 97 GLU HB3 . . 3.370 2.861 2.725 2.968 . 0 0 "[ . 1 .]" 1
807 1 97 GLU HA 1 97 GLU HB2 . . 3.010 2.612 2.565 2.663 . 0 0 "[ . 1 .]" 1
808 1 97 GLU HA 1 97 GLU HB3 . . 3.010 2.997 2.977 3.011 0.001 6 0 "[ . 1 .]" 1
809 1 97 GLU HA 1 97 GLU HG2 . . 3.010 2.641 2.442 2.900 . 0 0 "[ . 1 .]" 1
810 1 97 GLU HA 1 97 GLU HG3 . . 3.010 2.630 2.404 2.830 . 0 0 "[ . 1 .]" 1
811 1 97 GLU HA 1 98 GLY H . . 3.180 2.195 2.144 2.227 . 0 0 "[ . 1 .]" 1
812 1 97 GLU QG 1 98 GLY H . . 4.000 3.383 2.855 3.600 . 0 0 "[ . 1 .]" 1
813 1 97 GLU QG 1 98 GLY QA . . 4.090 3.941 3.537 4.073 . 0 0 "[ . 1 .]" 1
814 1 97 GLU HA 1 126 HIS HA . . 3.460 2.528 2.295 2.878 . 0 0 "[ . 1 .]" 1
815 1 97 GLU HA 1 126 HIS H . . 4.780 4.842 4.799 4.921 0.141 10 0 "[ . 1 .]" 1
816 1 97 GLU HA 1 127 VAL H . . 3.700 3.690 3.273 3.759 0.059 8 0 "[ . 1 .]" 1
817 1 98 GLY H 1 126 HIS H . . 4.300 4.193 3.960 4.306 0.006 6 0 "[ . 1 .]" 1
818 1 98 GLY H 1 126 HIS HA . . 3.100 2.655 2.223 3.120 0.020 10 0 "[ . 1 .]" 1
819 1 98 GLY H 1 127 VAL H . . 3.740 3.110 2.681 3.482 . 0 0 "[ . 1 .]" 1
820 1 98 GLY HA2 1 127 VAL QG . . 5.860 3.724 3.419 4.371 . 0 0 "[ . 1 .]" 1
821 1 98 GLY HA3 1 127 VAL QG . . 5.860 2.396 2.001 3.251 . 0 0 "[ . 1 .]" 1
822 1 98 GLY QA 1 127 VAL QG . . 4.860 2.366 1.988 3.168 . 0 0 "[ . 1 .]" 1
823 1 98 GLY QA 1 127 VAL H . . 4.680 4.352 3.588 4.718 0.038 1 0 "[ . 1 .]" 1
824 1 99 PRO HA 1 100 CYS H . . 3.360 2.451 2.151 3.458 0.098 4 0 "[ . 1 .]" 1
825 1 99 PRO HB2 1 100 CYS H . . 4.430 3.130 2.367 4.179 . 0 0 "[ . 1 .]" 1
826 1 99 PRO HB3 1 100 CYS H . . 4.430 3.796 3.334 4.483 0.053 8 0 "[ . 1 .]" 1
827 1 99 PRO HA 1 125 GLY H . . 4.800 4.379 3.586 4.974 0.174 8 0 "[ . 1 .]" 1
828 1 100 CYS QB 1 122 GLY QA . . 3.970 2.939 2.436 3.509 . 0 0 "[ . 1 .]" 1
829 1 100 CYS QB 1 123 GLY H . . 4.240 3.424 2.720 4.242 0.002 7 0 "[ . 1 .]" 1
830 1 100 CYS QB 1 127 VAL HB . . 3.830 3.792 3.519 3.936 0.106 8 0 "[ . 1 .]" 1
831 1 100 CYS QB 1 127 VAL QG . . 4.810 3.697 1.708 4.148 . 0 0 "[ . 1 .]" 1
832 1 101 VAL H 1 101 VAL MG1 . . 3.570 3.243 2.209 3.609 0.039 9 0 "[ . 1 .]" 1
833 1 101 VAL H 1 101 VAL MG2 . . 3.570 2.367 2.041 2.822 . 0 0 "[ . 1 .]" 1
834 1 101 VAL H 1 101 VAL QG . . 2.990 2.295 1.952 2.727 . 0 0 "[ . 1 .]" 1
835 1 101 VAL HA 1 101 VAL MG1 . . 3.250 2.211 2.060 2.676 . 0 0 "[ . 1 .]" 1
836 1 101 VAL HA 1 101 VAL MG2 . . 3.250 3.114 2.106 3.201 . 0 0 "[ . 1 .]" 1
837 1 101 VAL HA 1 101 VAL QG . . 2.640 2.134 2.033 2.336 . 0 0 "[ . 1 .]" 1
838 1 101 VAL H 1 104 ASP QB . . 3.750 2.781 2.357 3.402 . 0 0 "[ . 1 .]" 1
839 1 101 VAL QG 1 104 ASP H . . 4.210 2.293 2.132 2.899 . 0 0 "[ . 1 .]" 1
840 1 101 VAL QG 1 104 ASP QB . . 4.860 1.890 1.820 2.097 . 0 0 "[ . 1 .]" 1
841 1 101 VAL QG 1 105 ALA H . . 4.360 4.374 4.068 4.523 0.163 4 0 "[ . 1 .]" 1
842 1 104 ASP H 1 105 ALA H . . 3.240 2.539 1.894 2.696 . 0 0 "[ . 1 .]" 1
843 1 104 ASP QB 1 119 ILE MD . . 3.590 2.492 1.900 3.514 . 0 0 "[ . 1 .]" 1
844 1 105 ALA H 1 105 ALA MB . . 3.030 2.130 2.029 2.230 . 0 0 "[ . 1 .]" 1
845 1 105 ALA MB 1 106 GLY H . . 3.500 3.128 3.013 3.377 . 0 0 "[ . 1 .]" 1
846 1 105 ALA H 1 119 ILE MG . . 4.520 4.144 3.878 4.392 . 0 0 "[ . 1 .]" 1
847 1 105 ALA HA 1 119 ILE HB . . 3.670 1.993 1.968 2.096 . 0 0 "[ . 1 .]" 1
848 1 105 ALA HA 1 119 ILE MD . . 3.680 3.085 2.871 3.531 . 0 0 "[ . 1 .]" 1
849 1 105 ALA HA 1 119 ILE MG . . 3.190 2.678 2.545 2.827 . 0 0 "[ . 1 .]" 1
850 1 105 ALA MB 1 119 ILE MG . . 4.610 3.563 3.406 3.790 . 0 0 "[ . 1 .]" 1
851 1 106 GLY H 1 107 GLY H . . 3.830 2.207 2.077 2.295 . 0 0 "[ . 1 .]" 1
852 1 106 GLY HA2 1 118 ILE HB . . 2.710 2.723 2.464 2.841 0.131 3 0 "[ . 1 .]" 1
853 1 106 GLY HA3 1 118 ILE HB . . 4.300 4.253 3.972 4.400 0.100 14 0 "[ . 1 .]" 1
854 1 106 GLY QA 1 118 ILE MD . . 4.580 2.353 1.963 2.913 . 0 0 "[ . 1 .]" 1
855 1 106 GLY H 1 119 ILE MD . . 4.530 3.529 3.448 3.685 . 0 0 "[ . 1 .]" 1
856 1 106 GLY H 1 119 ILE QG . . 3.000 3.015 2.967 3.054 0.054 13 0 "[ . 1 .]" 1
857 1 106 GLY H 1 119 ILE H . . 4.290 2.911 2.797 3.145 . 0 0 "[ . 1 .]" 1
858 1 107 GLY H 1 108 LYS H . . 4.570 4.465 4.445 4.643 0.073 3 0 "[ . 1 .]" 1
859 1 107 GLY H 1 119 ILE H . . 4.350 2.957 2.864 3.076 . 0 0 "[ . 1 .]" 1
860 1 107 GLY H 1 119 ILE MD . . 4.080 2.542 2.366 2.804 . 0 0 "[ . 1 .]" 1
861 1 107 GLY H 1 119 ILE QG . . 2.000 2.040 2.004 2.055 0.055 8 0 "[ . 1 .]" 1
862 1 108 LYS H 1 108 LYS HB2 . . 3.600 2.407 2.081 2.696 . 0 0 "[ . 1 .]" 1
863 1 108 LYS H 1 108 LYS HB3 . . 3.600 3.498 3.099 3.603 0.003 1 0 "[ . 1 .]" 1
864 1 108 LYS H 1 108 LYS QG . . 4.480 2.796 2.177 4.087 . 0 0 "[ . 1 .]" 1
865 1 108 LYS HA 1 108 LYS QE . . 3.860 3.362 2.600 3.881 0.021 7 0 "[ . 1 .]" 1
866 1 108 LYS QB 1 110 LEU QD . . 4.640 2.754 2.420 2.966 . 0 0 "[ . 1 .]" 1
867 1 108 LYS HD2 1 115 VAL MG2 . . 4.830 3.903 3.252 4.629 . 0 0 "[ . 1 .]" 1
868 1 108 LYS HD2 1 115 VAL MG1 . . 4.830 3.832 2.114 4.419 . 0 0 "[ . 1 .]" 1
869 1 108 LYS HD3 1 115 VAL MG2 . . 4.830 3.073 1.882 4.614 . 0 0 "[ . 1 .]" 1
870 1 108 LYS HD3 1 115 VAL MG1 . . 4.830 3.352 2.301 4.740 . 0 0 "[ . 1 .]" 1
871 1 108 LYS QB 1 115 VAL QG . . 4.900 2.135 1.831 3.009 . 0 0 "[ . 1 .]" 1
872 1 108 LYS QD 1 115 VAL QG . . 4.520 2.513 1.832 3.565 . 0 0 "[ . 1 .]" 1
873 1 108 LYS QE 1 115 VAL QG . . 4.430 2.075 1.700 2.829 . 0 0 "[ . 1 .]" 1
874 1 108 LYS QG 1 115 VAL QG . . 4.730 2.856 1.724 3.542 . 0 0 "[ . 1 .]" 1
875 1 108 LYS HA 1 118 ILE HA . . 3.450 2.648 2.277 3.024 . 0 0 "[ . 1 .]" 1
876 1 108 LYS HA 1 118 ILE MG . . 4.240 2.055 1.873 2.507 . 0 0 "[ . 1 .]" 1
877 1 108 LYS QG 1 118 ILE MG . . 4.730 2.263 1.917 2.962 . 0 0 "[ . 1 .]" 1
878 1 108 LYS QE 1 132 LEU QD . . 3.050 2.784 2.155 3.077 0.027 7 0 "[ . 1 .]" 1
879 1 109 LEU H 1 109 LEU HB2 . . 3.680 2.903 2.741 3.037 . 0 0 "[ . 1 .]" 1
880 1 109 LEU H 1 109 LEU HB3 . . 3.680 2.461 2.382 2.557 . 0 0 "[ . 1 .]" 1
881 1 109 LEU H 1 109 LEU QB . . 3.220 2.331 2.288 2.391 . 0 0 "[ . 1 .]" 1
882 1 109 LEU H 1 109 LEU QD . . 4.030 3.807 3.767 3.840 . 0 0 "[ . 1 .]" 1
883 1 109 LEU H 1 110 LEU H . . 4.200 4.271 4.230 4.325 0.125 12 0 "[ . 1 .]" 1
884 1 109 LEU H 1 115 VAL MG2 . . 4.000 4.034 4.005 4.059 0.059 12 0 "[ . 1 .]" 1
885 1 109 LEU H 1 115 VAL MG1 . . 4.000 3.041 2.823 3.366 . 0 0 "[ . 1 .]" 1
886 1 109 LEU H 1 115 VAL QG . . 4.000 2.954 2.770 3.212 . 0 0 "[ . 1 .]" 1
887 1 109 LEU H 1 116 ILE H . . 4.210 3.691 3.559 3.785 . 0 0 "[ . 1 .]" 1
888 1 109 LEU HG 1 116 ILE MD . . 4.120 2.710 2.319 3.045 . 0 0 "[ . 1 .]" 1
889 1 109 LEU HG 1 116 ILE HG12 . . 3.160 3.029 2.517 3.224 0.064 7 0 "[ . 1 .]" 1
890 1 109 LEU HG 1 116 ILE HG13 . . 3.160 3.193 3.086 3.252 0.092 14 0 "[ . 1 .]" 1
891 1 109 LEU QD 1 116 ILE QG . . 4.780 2.491 1.966 3.139 . 0 0 "[ . 1 .]" 1
892 1 109 LEU H 1 117 GLY H . . 3.890 3.177 2.938 3.319 . 0 0 "[ . 1 .]" 1
893 1 109 LEU QB 1 117 GLY H . . 4.570 3.223 3.039 3.446 . 0 0 "[ . 1 .]" 1
894 1 109 LEU QB 1 117 GLY QA . . 4.060 3.664 3.507 3.789 . 0 0 "[ . 1 .]" 1
895 1 109 LEU QD 1 117 GLY QA . . 4.550 3.931 3.629 4.266 . 0 0 "[ . 1 .]" 1
896 1 109 LEU QD 1 129 PHE QB . . 4.670 2.969 2.724 3.271 . 0 0 "[ . 1 .]" 1
897 1 110 LEU H 1 110 LEU HG . . 3.490 3.511 3.445 3.541 0.051 15 0 "[ . 1 .]" 1
898 1 110 LEU H 1 110 LEU QB . . 3.360 2.292 2.218 2.402 . 0 0 "[ . 1 .]" 1
899 1 110 LEU H 1 110 LEU QD . . 3.690 2.838 2.746 2.928 . 0 0 "[ . 1 .]" 1
900 1 110 LEU HA 1 110 LEU HG . . 3.920 2.317 2.272 2.400 . 0 0 "[ . 1 .]" 1
901 1 110 LEU H 1 115 VAL HA . . 4.750 4.066 3.979 4.304 . 0 0 "[ . 1 .]" 1
902 1 110 LEU HA 1 115 VAL HA . . 3.210 2.102 2.023 2.204 . 0 0 "[ . 1 .]" 1
903 1 110 LEU HA 1 115 VAL QG . . 4.810 3.327 3.233 3.466 . 0 0 "[ . 1 .]" 1
904 1 110 LEU HG 1 115 VAL MG1 . . 4.260 3.766 3.676 3.863 . 0 0 "[ . 1 .]" 1
905 1 110 LEU HG 1 115 VAL MG2 . . 4.260 1.925 1.881 2.178 . 0 0 "[ . 1 .]" 1
906 1 110 LEU HG 1 115 VAL HA . . 3.790 2.309 2.124 2.538 . 0 0 "[ . 1 .]" 1
907 1 110 LEU QB 1 115 VAL H . . 4.890 3.983 3.847 4.157 . 0 0 "[ . 1 .]" 1
908 1 110 LEU QB 1 115 VAL QG . . 4.930 3.685 3.653 3.812 . 0 0 "[ . 1 .]" 1
909 1 110 LEU QD 1 115 VAL QG . . 4.990 2.085 1.961 2.168 . 0 0 "[ . 1 .]" 1
910 1 110 LEU HA 1 116 ILE H . . 3.830 3.302 3.221 3.375 . 0 0 "[ . 1 .]" 1
911 1 110 LEU HA 1 116 ILE QG . . 4.880 3.316 3.000 3.673 . 0 0 "[ . 1 .]" 1
912 1 111 CYS H 1 112 ARG H . . 4.480 4.344 4.318 4.358 . 0 0 "[ . 1 .]" 1
913 1 111 CYS H 1 114 GLY H . . 3.800 2.752 2.610 2.825 . 0 0 "[ . 1 .]" 1
914 1 111 CYS HA 1 116 ILE MD . . 4.720 3.994 3.783 4.248 . 0 0 "[ . 1 .]" 1
915 1 111 CYS QB 1 116 ILE MD . . 4.930 1.930 1.870 2.076 . 0 0 "[ . 1 .]" 1
916 1 112 ARG H 1 112 ARG HD2 . . 4.190 3.806 2.244 4.186 . 0 0 "[ . 1 .]" 1
917 1 112 ARG H 1 112 ARG HD3 . . 4.190 3.127 2.100 3.726 . 0 0 "[ . 1 .]" 1
918 1 112 ARG H 1 112 ARG HG2 . . 3.730 2.278 1.955 3.821 0.091 11 0 "[ . 1 .]" 1
919 1 112 ARG H 1 112 ARG HG3 . . 3.730 3.588 3.479 3.777 0.047 10 0 "[ . 1 .]" 1
920 1 112 ARG H 1 112 ARG QB . . 3.390 2.560 2.344 2.642 . 0 0 "[ . 1 .]" 1
921 1 112 ARG HA 1 112 ARG HD2 . . 4.030 2.411 2.239 2.629 . 0 0 "[ . 1 .]" 1
922 1 112 ARG HA 1 112 ARG HD3 . . 4.030 2.653 2.172 3.484 . 0 0 "[ . 1 .]" 1
923 1 112 ARG HB2 1 112 ARG HD3 . . 3.990 3.744 2.495 3.988 . 0 0 "[ . 1 .]" 1
924 1 112 ARG HB2 1 112 ARG HD2 . . 3.990 3.502 3.195 3.633 . 0 0 "[ . 1 .]" 1
925 1 112 ARG HB3 1 112 ARG HD2 . . 3.990 2.515 2.249 3.732 . 0 0 "[ . 1 .]" 1
926 1 112 ARG HB3 1 112 ARG HD3 . . 3.990 3.463 3.269 3.688 . 0 0 "[ . 1 .]" 1
927 1 112 ARG QB 1 112 ARG QD . . 2.790 2.265 2.187 2.362 . 0 0 "[ . 1 .]" 1
928 1 112 ARG H 1 113 HIS H . . 4.010 3.043 2.814 3.179 . 0 0 "[ . 1 .]" 1
929 1 112 ARG QB 1 113 HIS HA . . 4.550 3.952 3.911 4.061 . 0 0 "[ . 1 .]" 1
930 1 113 HIS H 1 114 GLY H . . 3.020 2.560 2.408 2.643 . 0 0 "[ . 1 .]" 1
931 1 114 GLY H 1 115 VAL H . . 4.220 4.302 4.270 4.342 0.122 5 0 "[ . 1 .]" 1
932 1 115 VAL H 1 115 VAL HB . . 3.330 2.558 2.491 2.610 . 0 0 "[ . 1 .]" 1
933 1 115 VAL H 1 115 VAL QG . . 2.920 1.997 1.903 2.119 . 0 0 "[ . 1 .]" 1
934 1 115 VAL HA 1 116 ILE QG . . 3.810 3.514 3.395 3.753 . 0 0 "[ . 1 .]" 1
935 1 115 VAL HA 1 117 GLY H . . 4.520 3.514 3.470 3.555 . 0 0 "[ . 1 .]" 1
936 1 115 VAL QG 1 117 GLY H . . 3.790 2.196 2.001 2.445 . 0 0 "[ . 1 .]" 1
937 1 115 VAL QG 1 132 LEU QD . . 4.560 2.087 1.748 2.539 . 0 0 "[ . 1 .]" 1
938 1 116 ILE H 1 116 ILE MG . . 3.580 3.156 3.010 3.230 . 0 0 "[ . 1 .]" 1
939 1 116 ILE H 1 116 ILE HB . . 3.850 3.786 3.693 3.878 0.028 14 0 "[ . 1 .]" 1
940 1 116 ILE H 1 116 ILE MD . . 3.950 3.864 3.749 3.959 0.009 13 0 "[ . 1 .]" 1
941 1 116 ILE H 1 116 ILE QG . . 3.470 2.170 2.038 2.269 . 0 0 "[ . 1 .]" 1
942 1 116 ILE HA 1 116 ILE MG . . 3.070 2.229 2.152 2.282 . 0 0 "[ . 1 .]" 1
943 1 116 ILE HB 1 116 ILE MD . . 3.240 2.412 2.309 2.516 . 0 0 "[ . 1 .]" 1
944 1 116 ILE MD 1 116 ILE MG . . 2.910 1.988 1.914 2.183 . 0 0 "[ . 1 .]" 1
945 1 116 ILE H 1 117 GLY H . . 3.480 1.819 1.781 1.874 . 0 0 "[ . 1 .]" 1
946 1 116 ILE QG 1 117 GLY QA . . 3.670 3.534 3.319 3.643 . 0 0 "[ . 1 .]" 1
947 1 116 ILE HA 1 132 LEU H . . 4.580 4.020 3.663 4.364 . 0 0 "[ . 1 .]" 1
948 1 116 ILE HA 1 133 ARG H . . 4.320 4.298 4.012 4.468 0.148 11 0 "[ . 1 .]" 1
949 1 116 ILE MG 1 133 ARG QD . . 4.220 4.134 3.094 4.343 0.123 7 0 "[ . 1 .]" 1
950 1 117 GLY H 1 118 ILE H . . 4.250 4.287 4.200 4.366 0.116 14 0 "[ . 1 .]" 1
951 1 117 GLY HA2 1 130 THR H . . 4.870 4.833 4.544 4.965 0.095 14 0 "[ . 1 .]" 1
952 1 117 GLY HA3 1 130 THR H . . 4.870 4.294 3.928 4.449 . 0 0 "[ . 1 .]" 1
953 1 117 GLY QA 1 130 THR H . . 4.460 4.015 3.723 4.142 . 0 0 "[ . 1 .]" 1
954 1 117 GLY H 1 132 LEU H . . 4.820 4.241 4.005 4.464 . 0 0 "[ . 1 .]" 1
955 1 117 GLY HA2 1 132 LEU H . . 4.130 2.630 2.414 2.830 . 0 0 "[ . 1 .]" 1
956 1 117 GLY HA3 1 132 LEU H . . 4.130 3.079 2.772 3.362 . 0 0 "[ . 1 .]" 1
957 1 117 GLY QA 1 132 LEU H . . 3.630 2.477 2.351 2.592 . 0 0 "[ . 1 .]" 1
958 1 117 GLY QA 1 132 LEU QD . . 4.860 2.383 1.879 3.235 . 0 0 "[ . 1 .]" 1
959 1 118 ILE H 1 118 ILE MD . . 3.850 3.623 3.254 3.857 0.007 5 0 "[ . 1 .]" 1
960 1 118 ILE H 1 118 ILE MG . . 3.390 2.921 2.789 3.076 . 0 0 "[ . 1 .]" 1
961 1 118 ILE HA 1 118 ILE MG . . 3.160 2.278 2.195 2.349 . 0 0 "[ . 1 .]" 1
962 1 118 ILE HA 1 118 ILE MD . . 4.110 3.904 3.661 4.159 0.049 4 0 "[ . 1 .]" 1
963 1 118 ILE QG 1 118 ILE MG . . 2.930 2.054 1.924 2.297 . 0 0 "[ . 1 .]" 1
964 1 118 ILE H 1 119 ILE H . . 4.650 4.471 4.421 4.511 . 0 0 "[ . 1 .]" 1
965 1 118 ILE HB 1 119 ILE H . . 4.510 2.229 2.036 2.805 . 0 0 "[ . 1 .]" 1
966 1 118 ILE MD 1 119 ILE H . . 4.240 3.306 2.540 4.161 . 0 0 "[ . 1 .]" 1
967 1 118 ILE H 1 129 PHE HA . . 4.590 4.561 4.036 4.653 0.063 8 0 "[ . 1 .]" 1
968 1 118 ILE H 1 129 PHE HB3 . . 4.360 4.123 3.529 5.032 0.672 14 1 "[ . 1 +.]" 1
969 1 118 ILE H 1 129 PHE QB . . 4.360 3.923 3.246 4.275 . 0 0 "[ . 1 .]" 1
970 1 118 ILE H 1 130 THR H . . 3.810 3.154 2.881 3.399 . 0 0 "[ . 1 .]" 1
971 1 118 ILE HA 1 130 THR H . . 4.760 4.765 4.606 4.852 0.092 9 0 "[ . 1 .]" 1
972 1 118 ILE HG13 1 130 THR H . . 3.950 3.543 3.152 3.753 . 0 0 "[ . 1 .]" 1
973 1 118 ILE QG 1 130 THR HB . . 4.130 4.132 3.648 4.269 0.139 6 0 "[ . 1 .]" 1
974 1 118 ILE HG12 1 132 LEU MD1 . . 4.890 3.505 1.981 4.693 . 0 0 "[ . 1 .]" 1
975 1 118 ILE HG12 1 132 LEU MD2 . . 4.890 3.985 2.322 4.914 0.024 12 0 "[ . 1 .]" 1
976 1 118 ILE HG13 1 132 LEU MD1 . . 4.890 4.174 3.265 4.901 0.011 1 0 "[ . 1 .]" 1
977 1 118 ILE HG13 1 132 LEU MD2 . . 4.890 4.725 3.786 4.944 0.054 6 0 "[ . 1 .]" 1
978 1 118 ILE QG 1 132 LEU QD . . 4.890 2.931 1.956 3.796 . 0 0 "[ . 1 .]" 1
979 1 118 ILE MG 1 132 LEU QD . . 4.890 2.676 2.296 3.296 . 0 0 "[ . 1 .]" 1
980 1 119 ILE H 1 119 ILE MD . . 3.960 3.599 3.577 3.629 . 0 0 "[ . 1 .]" 1
981 1 119 ILE H 1 119 ILE MG . . 3.660 3.751 3.718 3.764 0.104 12 0 "[ . 1 .]" 1
982 1 119 ILE HB 1 119 ILE MD . . 3.120 2.463 2.430 2.526 . 0 0 "[ . 1 .]" 1
983 1 119 ILE MD 1 119 ILE MG . . 2.890 1.972 1.872 2.026 . 0 0 "[ . 1 .]" 1
984 1 119 ILE HA 1 121 ALA H . . 3.770 3.608 3.431 3.778 0.008 11 0 "[ . 1 .]" 1
985 1 119 ILE MD 1 127 VAL QG . . 4.930 2.684 2.467 3.113 . 0 0 "[ . 1 .]" 1
986 1 119 ILE MG 1 127 VAL QG . . 4.830 1.994 1.854 2.530 . 0 0 "[ . 1 .]" 1
987 1 119 ILE HA 1 129 PHE HA . . 3.800 2.569 2.420 2.689 . 0 0 "[ . 1 .]" 1
988 1 119 ILE HA 1 130 THR H . . 3.960 3.885 3.759 4.052 0.092 3 0 "[ . 1 .]" 1
989 1 120 THR H 1 120 THR HB . . 4.200 3.009 2.851 3.187 . 0 0 "[ . 1 .]" 1
990 1 120 THR H 1 121 ALA H . . 3.360 1.991 1.880 2.168 . 0 0 "[ . 1 .]" 1
991 1 120 THR H 1 128 ALA MB . . 4.630 3.601 3.280 3.951 . 0 0 "[ . 1 .]" 1
992 1 120 THR H 1 128 ALA H . . 4.950 4.687 4.250 4.965 0.015 3 0 "[ . 1 .]" 1
993 1 120 THR MG 1 128 ALA MB . . 4.680 2.280 1.883 2.681 . 0 0 "[ . 1 .]" 1
994 1 120 THR MG 1 128 ALA H . . 4.810 4.389 3.943 4.813 0.003 13 0 "[ . 1 .]" 1
995 1 120 THR H 1 129 PHE HA . . 3.870 2.463 1.937 2.738 . 0 0 "[ . 1 .]" 1
996 1 120 THR H 1 129 PHE H . . 4.530 4.493 4.275 4.625 0.095 6 0 "[ . 1 .]" 1
997 1 120 THR MG 1 129 PHE HA . . 4.070 2.689 2.146 3.037 . 0 0 "[ . 1 .]" 1
998 1 120 THR MG 1 129 PHE H . . 4.640 3.441 2.955 3.931 . 0 0 "[ . 1 .]" 1
999 1 120 THR H 1 130 THR H . . 4.320 3.369 3.087 3.743 . 0 0 "[ . 1 .]" 1
1000 1 120 THR HA 1 130 THR H . . 4.970 4.812 4.520 5.008 0.038 15 0 "[ . 1 .]" 1
1001 1 120 THR HB 1 130 THR H . . 4.010 3.003 2.658 3.370 . 0 0 "[ . 1 .]" 1
1002 1 120 THR MG 1 130 THR H . . 4.690 2.676 2.116 3.165 . 0 0 "[ . 1 .]" 1
1003 1 121 ALA H 1 121 ALA MB . . 2.820 2.707 2.508 2.867 0.047 9 0 "[ . 1 .]" 1
1004 1 121 ALA H 1 127 VAL QG . . 4.600 4.005 3.400 4.605 0.005 8 0 "[ . 1 .]" 1
1005 1 121 ALA H 1 128 ALA H . . 4.090 3.525 3.027 3.690 . 0 0 "[ . 1 .]" 1
1006 1 121 ALA H 1 128 ALA MB . . 4.500 2.743 2.070 3.755 . 0 0 "[ . 1 .]" 1
1007 1 121 ALA HA 1 128 ALA H . . 4.730 4.719 4.315 4.814 0.084 15 0 "[ . 1 .]" 1
1008 1 121 ALA MB 1 128 ALA MB . . 4.940 2.097 1.702 2.856 . 0 0 "[ . 1 .]" 1
1009 1 121 ALA MB 1 128 ALA H . . 4.690 3.379 2.599 4.129 . 0 0 "[ . 1 .]" 1
1010 1 121 ALA H 1 129 PHE HA . . 4.190 3.976 3.276 4.241 0.051 11 0 "[ . 1 .]" 1
1011 1 122 GLY QA 1 127 VAL HA . . 3.770 2.153 1.954 2.462 . 0 0 "[ . 1 .]" 1
1012 1 122 GLY H 1 128 ALA H . . 4.710 4.312 4.047 4.544 . 0 0 "[ . 1 .]" 1
1013 1 122 GLY HA2 1 128 ALA H . . 4.470 2.641 2.118 3.200 . 0 0 "[ . 1 .]" 1
1014 1 122 GLY HA3 1 128 ALA H . . 4.470 4.032 3.609 4.482 0.012 10 0 "[ . 1 .]" 1
1015 1 123 GLY H 1 124 ASP H . . 4.830 3.515 2.497 4.358 . 0 0 "[ . 1 .]" 1
1016 1 123 GLY H 1 126 HIS H . . 3.680 3.320 3.031 3.532 . 0 0 "[ . 1 .]" 1
1017 1 123 GLY H 1 126 HIS HA . . 4.920 4.855 4.592 4.982 0.062 2 0 "[ . 1 .]" 1
1018 1 123 GLY H 1 126 HIS HB2 . . 4.430 3.965 3.341 4.598 0.168 15 0 "[ . 1 .]" 1
1019 1 123 GLY H 1 126 HIS HB3 . . 4.430 4.293 3.852 4.439 0.009 3 0 "[ . 1 .]" 1
1020 1 123 GLY QA 1 126 HIS H . . 4.010 3.939 3.578 4.182 0.172 10 0 "[ . 1 .]" 1
1021 1 123 GLY H 1 127 VAL H . . 4.810 4.769 4.530 4.902 0.092 11 0 "[ . 1 .]" 1
1022 1 123 GLY H 1 127 VAL HA . . 3.470 3.174 2.828 3.492 0.022 7 0 "[ . 1 .]" 1
1023 1 123 GLY H 1 128 ALA H . . 4.510 4.438 4.078 4.626 0.116 10 0 "[ . 1 .]" 1
1024 1 124 ASP H 1 125 GLY H . . 4.530 4.040 3.545 4.389 . 0 0 "[ . 1 .]" 1
1025 1 124 ASP HA 1 125 GLY QA . . 4.220 3.919 3.888 4.307 0.087 8 0 "[ . 1 .]" 1
1026 1 124 ASP QB 1 125 GLY H . . 4.160 3.524 1.934 3.901 . 0 0 "[ . 1 .]" 1
1027 1 124 ASP H 1 126 HIS H . . 5.060 3.706 3.441 4.035 . 0 0 "[ . 1 .]" 1
1028 1 124 ASP HA 1 126 HIS H . . 3.610 3.695 3.609 4.026 0.416 8 0 "[ . 1 .]" 1
1029 1 124 ASP QB 1 126 HIS H . . 4.990 4.320 3.765 4.425 . 0 0 "[ . 1 .]" 1
1030 1 125 GLY H 1 126 HIS H . . 3.230 2.667 2.597 2.788 . 0 0 "[ . 1 .]" 1
1031 1 126 HIS HA 1 127 VAL H . . 2.960 2.199 2.139 2.334 . 0 0 "[ . 1 .]" 1
1032 1 126 HIS HA 1 127 VAL QG . . 3.790 3.443 3.170 3.643 . 0 0 "[ . 1 .]" 1
1033 1 126 HIS QB 1 127 VAL QG . . 4.570 4.340 3.986 4.567 . 0 0 "[ . 1 .]" 1
1034 1 127 VAL H 1 127 VAL QG . . 2.990 2.069 1.885 2.616 . 0 0 "[ . 1 .]" 1
1035 1 127 VAL H 1 128 ALA H . . 4.300 4.307 3.987 4.489 0.189 6 0 "[ . 1 .]" 1
1036 1 127 VAL HA 1 128 ALA H . . 3.380 2.154 2.141 2.188 . 0 0 "[ . 1 .]" 1
1037 1 127 VAL HA 1 128 ALA HA . . 4.270 4.381 4.363 4.407 0.137 8 0 "[ . 1 .]" 1
1038 1 127 VAL QG 1 128 ALA H . . 3.760 2.709 2.525 3.403 . 0 0 "[ . 1 .]" 1
1039 1 127 VAL QG 1 129 PHE HA . . 4.900 4.276 4.066 4.743 . 0 0 "[ . 1 .]" 1
1040 1 128 ALA H 1 128 ALA MB . . 3.120 2.202 2.116 2.332 . 0 0 "[ . 1 .]" 1
1041 1 128 ALA H 1 129 PHE H . . 4.540 4.573 4.526 4.599 0.059 13 0 "[ . 1 .]" 1
1042 1 128 ALA MB 1 129 PHE H . . 3.580 2.765 2.584 2.989 . 0 0 "[ . 1 .]" 1
1043 1 129 PHE H 1 129 PHE HB2 . . 3.860 2.795 2.402 3.934 0.074 14 0 "[ . 1 .]" 1
1044 1 129 PHE H 1 129 PHE HB3 . . 3.860 3.725 3.082 3.915 0.055 15 0 "[ . 1 .]" 1
1045 1 129 PHE H 1 130 THR H . . 4.530 4.304 4.122 4.453 . 0 0 "[ . 1 .]" 1
1046 1 129 PHE HA 1 130 THR MG . . 4.370 3.837 3.662 4.432 0.062 12 0 "[ . 1 .]" 1
1047 1 130 THR H 1 130 THR HB . . 3.280 2.807 2.601 3.425 0.145 12 0 "[ . 1 .]" 1
1048 1 130 THR H 1 130 THR MG . . 3.560 2.064 1.916 3.247 . 0 0 "[ . 1 .]" 1
1049 1 130 THR MG 1 132 LEU QD . . 4.810 3.052 2.388 4.693 . 0 0 "[ . 1 .]" 1
1050 1 131 ASP H 1 131 ASP HB2 . . 3.730 2.157 2.080 2.409 . 0 0 "[ . 1 .]" 1
1051 1 131 ASP H 1 131 ASP HB3 . . 3.730 3.052 2.662 3.318 . 0 0 "[ . 1 .]" 1
1052 1 131 ASP H 1 131 ASP QB . . 3.240 2.105 2.055 2.239 . 0 0 "[ . 1 .]" 1
1053 1 131 ASP HA 1 133 ARG H . . 4.500 3.439 3.230 3.651 . 0 0 "[ . 1 .]" 1
1054 1 131 ASP QB 1 133 ARG H . . 4.460 3.428 3.092 3.769 . 0 0 "[ . 1 .]" 1
1055 1 131 ASP QB 1 134 PRO QG . . 4.920 2.579 2.183 3.194 . 0 0 "[ . 1 .]" 1
1056 1 131 ASP QB 1 134 PRO QD . . 4.520 2.303 2.027 2.653 . 0 0 "[ . 1 .]" 1
1057 1 132 LEU H 1 132 LEU QD . . 3.710 3.052 1.857 3.695 . 0 0 "[ . 1 .]" 1
1058 1 132 LEU HA 1 132 LEU QD . . 3.040 2.279 1.969 3.305 0.265 6 0 "[ . 1 .]" 1
1059 1 132 LEU H 1 133 ARG H . . 4.030 2.418 2.299 2.542 . 0 0 "[ . 1 .]" 1
1060 1 132 LEU HA 1 134 PRO QD . . 3.650 3.496 3.326 3.595 . 0 0 "[ . 1 .]" 1
1061 1 133 ARG H 1 133 ARG HB2 . . 3.970 2.515 2.070 3.436 . 0 0 "[ . 1 .]" 1
1062 1 133 ARG H 1 133 ARG HB3 . . 3.970 2.878 2.165 3.515 . 0 0 "[ . 1 .]" 1
1063 1 133 ARG H 1 133 ARG QB . . 3.340 2.158 2.050 2.958 . 0 0 "[ . 1 .]" 1
1064 1 133 ARG HA 1 133 ARG QD . . 3.900 3.886 3.516 3.988 0.088 10 0 "[ . 1 .]" 1
1065 1 133 ARG H 1 134 PRO QD . . 3.730 2.181 2.011 2.458 . 0 0 "[ . 1 .]" 1
1066 1 133 ARG QB 1 134 PRO QD . . 3.590 1.874 1.843 1.951 . 0 0 "[ . 1 .]" 1
1067 1 133 ARG HA 1 136 ASN QB . . 4.120 3.956 3.443 4.184 0.064 15 0 "[ . 1 .]" 1
1068 1 134 PRO HD2 1 135 TYR H . . 4.180 3.740 2.656 4.568 0.388 12 0 "[ . 1 .]" 1
1069 1 136 ASN H 1 136 ASN QB . . 2.970 2.441 2.107 2.981 0.011 15 0 "[ . 1 .]" 1
1070 1 136 ASN HA 1 137 ILE QG . . 3.880 3.674 3.431 3.984 0.104 15 0 "[ . 1 .]" 1
1071 1 136 ASN QB 1 137 ILE H . . 3.770 2.472 2.187 3.452 . 0 0 "[ . 1 .]" 1
1072 1 137 ILE H 1 137 ILE HB . . 3.030 2.611 2.549 2.645 . 0 0 "[ . 1 .]" 1
1073 1 137 ILE H 1 137 ILE MD . . 3.510 3.128 2.182 3.391 . 0 0 "[ . 1 .]" 1
1074 1 137 ILE H 1 137 ILE HG12 . . 3.310 2.315 1.988 4.176 0.866 15 1 "[ . 1 +]" 1
1075 1 137 ILE HA 1 137 ILE MD . . 3.160 2.170 1.970 3.351 0.191 15 0 "[ . 1 .]" 1
1076 1 137 ILE HA 1 137 ILE QG . . 3.890 2.968 2.362 3.042 . 0 0 "[ . 1 .]" 1
1077 1 137 ILE HA 1 137 ILE MG . . 2.690 2.248 2.205 2.352 . 0 0 "[ . 1 .]" 1
1078 1 137 ILE QG 1 137 ILE MG . . 2.930 2.220 1.961 2.274 . 0 0 "[ . 1 .]" 1
1079 1 137 ILE HA 1 138 LYS QG . . 4.410 3.760 3.579 4.116 . 0 0 "[ . 1 .]" 1
1080 1 138 LYS H 1 138 LYS QG . . 2.970 2.179 1.947 2.439 . 0 0 "[ . 1 .]" 1
1081 1 138 LYS H 1 138 LYS QB . . 2.820 2.555 2.424 2.790 . 0 0 "[ . 1 .]" 1
1082 1 138 LYS QB 1 138 LYS QG . . 2.330 2.028 2.021 2.039 . 0 0 "[ . 1 .]" 1
1083 1 138 LYS QB 1 139 ALA MB . . 3.610 3.458 3.319 3.602 . 0 0 "[ . 1 .]" 1
1084 1 138 LYS QD 1 139 ALA MB . . 3.030 2.345 1.933 2.845 . 0 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 102
_Distance_constraint_stats_list.Viol_count 485
_Distance_constraint_stats_list.Viol_total 1091.223
_Distance_constraint_stats_list.Viol_max 0.973
_Distance_constraint_stats_list.Viol_rms 0.1308
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0475
_Distance_constraint_stats_list.Viol_average_violations_only 0.1500
_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 7 VAL 25.353 0.973 9 12 "[ **** **+*-***.]"
1 9 THR 12.644 0.897 11 4 "[ -* 1+ * .]"
1 12 ALA 12.644 0.897 11 4 "[ -* 1+ * .]"
1 13 ILE 16.266 0.626 2 4 "[*+- * 1 .]"
1 14 TYR 25.353 0.973 9 12 "[ **** **+*-***.]"
1 16 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 17 ALA 0.061 0.012 8 0 "[ . 1 .]"
1 19 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 20 THR 0.061 0.012 8 0 "[ . 1 .]"
1 38 ASP 16.266 0.626 2 4 "[*+- * 1 .]"
1 55 SER 0.288 0.085 10 0 "[ . 1 .]"
1 56 GLY 5.659 0.350 15 0 "[ . 1 .]"
1 57 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 59 TYR 3.498 0.202 15 0 "[ . 1 .]"
1 60 SER 0.136 0.020 8 0 "[ . 1 .]"
1 61 ARG 0.190 0.029 8 0 "[ . 1 .]"
1 63 LEU 0.136 0.020 8 0 "[ . 1 .]"
1 64 ASP 0.190 0.029 8 0 "[ . 1 .]"
1 65 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 69 VAL 5.659 0.350 15 0 "[ . 1 .]"
1 70 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 72 GLU 0.284 0.081 14 0 "[ . 1 .]"
1 74 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 75 ASP 0.023 0.012 11 0 "[ . 1 .]"
1 76 TRP 0.043 0.043 14 0 "[ . 1 .]"
1 77 TYR 0.120 0.034 12 0 "[ . 1 .]"
1 78 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 79 VAL 0.086 0.036 9 0 "[ . 1 .]"
1 80 GLU 0.286 0.206 13 0 "[ . 1 .]"
1 81 GLU 0.402 0.218 13 0 "[ . 1 .]"
1 82 THR 2.255 0.364 13 0 "[ . 1 .]"
1 84 TYR 0.562 0.120 13 0 "[ . 1 .]"
1 85 TYR 0.441 0.273 13 0 "[ . 1 .]"
1 86 PRO 1.146 0.364 13 0 "[ . 1 .]"
1 87 LYS 0.300 0.218 13 0 "[ . 1 .]"
1 88 HIS 0.283 0.078 13 0 "[ . 1 .]"
1 89 ILE 0.078 0.036 9 0 "[ . 1 .]"
1 90 GLN 0.114 0.034 12 0 "[ . 1 .]"
1 91 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 92 ASN 0.067 0.043 14 0 "[ . 1 .]"
1 93 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 95 ILE 0.284 0.081 14 0 "[ . 1 .]"
1 97 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 104 ASP 0.143 0.053 8 0 "[ . 1 .]"
1 106 GLY 1.082 0.106 13 0 "[ . 1 .]"
1 107 GLY 0.639 0.082 3 0 "[ . 1 .]"
1 108 LYS 1.927 0.202 15 0 "[ . 1 .]"
1 109 LEU 2.361 0.136 14 0 "[ . 1 .]"
1 110 LEU 0.018 0.010 11 0 "[ . 1 .]"
1 111 CYS 2.078 0.139 11 0 "[ . 1 .]"
1 112 ARG 0.288 0.085 10 0 "[ . 1 .]"
1 113 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 114 GLY 1.405 0.139 11 0 "[ . 1 .]"
1 115 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 116 ILE 1.016 0.116 7 0 "[ . 1 .]"
1 117 GLY 1.064 0.092 12 0 "[ . 1 .]"
1 119 ILE 1.640 0.106 13 0 "[ . 1 .]"
1 130 THR 0.165 0.060 12 0 "[ . 1 .]"
1 131 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 132 LEU 0.274 0.092 12 0 "[ . 1 .]"
1 133 ARG 0.222 0.105 11 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 VAL O 1 14 TYR H . . 1.800 2.072 1.829 2.501 0.701 5 2 "[ + - .]" 2
2 1 7 VAL O 1 14 TYR N . . 2.700 2.831 2.743 3.252 0.552 5 1 "[ + 1 .]" 2
3 1 7 VAL H 1 14 TYR O . . 1.800 2.438 2.157 2.773 0.973 9 12 "[ **** **+*-***.]" 2
4 1 7 VAL N 1 14 TYR O . . 2.700 3.349 3.084 3.604 0.904 9 12 "[ **** **+*-***.]" 2
5 1 9 THR O 1 12 ALA H . . 1.800 2.054 1.795 2.632 0.832 11 3 "[ .* 1+ - .]" 2
6 1 9 THR O 1 12 ALA N . . 2.700 3.001 2.768 3.597 0.897 11 3 "[ .- 1+ * .]" 2
7 1 9 THR H 1 12 ALA O . . 1.800 1.944 1.792 2.561 0.761 6 1 "[ .+ 1 .]" 2
8 1 9 THR N 1 12 ALA O . . 2.700 2.842 2.691 3.258 0.558 6 2 "[ -+ 1 .]" 2
9 1 13 ILE O 1 38 ASP H . . 1.800 2.141 1.872 2.426 0.626 2 4 "[*+- * 1 .]" 2
10 1 13 ILE O 1 38 ASP N . . 2.700 3.047 2.826 3.270 0.570 2 4 "[*+- * 1 .]" 2
11 1 13 ILE H 1 38 ASP O . . 1.800 1.972 1.798 2.225 0.425 6 0 "[ . 1 .]" 2
12 1 13 ILE N 1 38 ASP O . . 2.700 2.924 2.738 3.169 0.469 6 0 "[ . 1 .]" 2
13 1 55 SER O 1 112 ARG H . . 4.500 4.440 4.217 4.585 0.085 10 0 "[ . 1 .]" 2
14 1 56 GLY O 1 69 VAL H . . 1.800 1.811 1.784 1.852 0.052 5 0 "[ . 1 .]" 2
15 1 56 GLY O 1 69 VAL N . . 2.700 2.754 2.724 2.797 0.097 5 0 "[ . 1 .]" 2
16 1 56 GLY H 1 69 VAL O . . 1.800 2.055 1.974 2.150 0.350 15 0 "[ . 1 .]" 2
17 1 56 GLY N 1 69 VAL O . . 2.700 2.754 2.703 2.829 0.129 15 0 "[ . 1 .]" 2
18 1 70 GLU O 1 97 GLU H . . 4.500 2.945 2.642 3.436 . 0 0 "[ . 1 .]" 2
19 1 72 GLU O 1 95 ILE H . . 2.500 2.463 2.278 2.581 0.081 14 0 "[ . 1 .]" 2
20 1 72 GLU H 1 95 ILE N . . 3.500 3.237 3.006 3.392 . 0 0 "[ . 1 .]" 2
21 1 72 GLU H 1 95 ILE O . . 2.500 1.830 1.778 2.006 . 0 0 "[ . 1 .]" 2
22 1 74 HIS O 1 92 ASN H . . 3.500 3.075 2.731 3.425 . 0 0 "[ . 1 .]" 2
23 1 74 HIS O 1 93 LEU H . . 2.500 2.138 1.989 2.450 . 0 0 "[ . 1 .]" 2
24 1 74 HIS H 1 93 LEU O . . 2.500 1.870 1.783 2.013 . 0 0 "[ . 1 .]" 2
25 1 75 ASP O 1 92 ASN H . . 2.500 2.385 2.124 2.512 0.012 11 0 "[ . 1 .]" 2
26 1 75 ASP O 1 92 ASN N . . 3.500 3.297 3.080 3.436 . 0 0 "[ . 1 .]" 2
27 1 76 TRP N 1 92 ASN H . . 4.000 3.801 3.649 4.043 0.043 14 0 "[ . 1 .]" 2
28 1 77 TYR N 1 90 GLN H . . 4.000 3.644 3.356 3.885 . 0 0 "[ . 1 .]" 2
29 1 77 TYR O 1 79 VAL H . . 4.000 3.699 3.450 4.005 0.005 11 0 "[ . 1 .]" 2
30 1 77 TYR O 1 90 GLN H . . 2.500 2.032 1.788 2.256 . 0 0 "[ . 1 .]" 2
31 1 77 TYR H 1 90 GLN N . . 3.500 3.459 3.259 3.534 0.034 12 0 "[ . 1 .]" 2
32 1 77 TYR H 1 91 TYR N . . 4.500 4.221 4.048 4.486 . 0 0 "[ . 1 .]" 2
33 1 78 PRO N 1 90 GLN H . . 4.500 4.108 3.857 4.388 . 0 0 "[ . 1 .]" 2
34 1 78 PRO O 1 80 GLU H . . 4.500 3.776 3.349 4.430 . 0 0 "[ . 1 .]" 2
35 1 79 VAL O 1 81 GLU H . . 4.000 3.556 1.958 4.000 0.000 6 0 "[ . 1 .]" 2
36 1 79 VAL N 1 88 HIS H . . 4.000 3.753 3.615 3.828 . 0 0 "[ . 1 .]" 2
37 1 79 VAL O 1 88 HIS H . . 2.500 2.347 2.110 2.502 0.002 5 0 "[ . 1 .]" 2
38 1 79 VAL O 1 88 HIS N . . 3.500 3.244 3.023 3.420 . 0 0 "[ . 1 .]" 2
39 1 79 VAL H 1 88 HIS N . . 4.000 3.803 3.649 3.855 . 0 0 "[ . 1 .]" 2
40 1 79 VAL H 1 88 HIS O . . 2.000 1.844 1.784 1.914 . 0 0 "[ . 1 .]" 2
41 1 79 VAL H 1 89 ILE N . . 4.000 3.929 3.809 4.036 0.036 9 0 "[ . 1 .]" 2
42 1 80 GLU N 1 88 HIS H . . 4.500 4.338 4.152 4.578 0.078 13 0 "[ . 1 .]" 2
43 1 80 GLU O 1 82 THR H . . 4.500 3.302 2.335 4.706 0.206 13 0 "[ . 1 .]" 2
44 1 81 GLU N 1 87 LYS H . . 4.000 3.863 3.460 4.218 0.218 13 0 "[ . 1 .]" 2
45 1 81 GLU N 1 88 HIS H . . 5.000 4.846 4.139 5.067 0.067 9 0 "[ . 1 .]" 2
46 1 81 GLU H 1 86 PRO O . . 5.000 4.442 3.078 4.926 . 0 0 "[ . 1 .]" 2
47 1 81 GLU H 1 87 LYS N . . 4.000 3.472 2.774 3.737 . 0 0 "[ . 1 .]" 2
48 1 82 THR N 1 84 TYR H . . 4.500 4.481 4.226 4.620 0.120 13 0 "[ . 1 .]" 2
49 1 82 THR N 1 85 TYR H . . 4.000 3.832 3.612 4.020 0.020 10 0 "[ . 1 .]" 2
50 1 82 THR O 1 85 TYR H . . 4.000 2.892 2.118 3.940 . 0 0 "[ . 1 .]" 2
51 1 82 THR H 1 85 TYR O . . 2.000 1.963 1.792 2.273 0.273 13 0 "[ . 1 .]" 2
52 1 82 THR H 1 86 PRO N . . 4.000 3.929 3.352 4.364 0.364 13 0 "[ . 1 .]" 2
53 1 86 PRO O 1 88 HIS H . . 3.500 3.335 2.821 3.572 0.072 13 0 "[ . 1 .]" 2
54 1 89 ILE O 1 90 GLN H . . 3.500 3.114 3.114 3.115 . 0 0 "[ . 1 .]" 2
55 1 91 TYR O 1 92 ASN H . . 3.500 3.114 3.114 3.115 . 0 0 "[ . 1 .]" 2
56 1 92 ASN O 1 131 ASP H . . 2.500 2.081 1.833 2.390 . 0 0 "[ . 1 .]" 2
57 1 74 HIS H 1 93 LEU N . . 4.500 3.705 3.263 3.958 . 0 0 "[ . 1 .]" 2
58 1 106 GLY O 1 119 ILE H . . 4.500 4.094 3.985 4.427 . 0 0 "[ . 1 .]" 2
59 1 106 GLY H 1 119 ILE N . . 3.500 3.314 3.268 3.384 . 0 0 "[ . 1 .]" 2
60 1 106 GLY H 1 119 ILE O . . 2.500 2.572 2.515 2.606 0.106 13 0 "[ . 1 .]" 2
61 1 107 GLY N 1 119 ILE H . . 3.500 3.033 2.983 3.209 . 0 0 "[ . 1 .]" 2
62 1 107 GLY O 1 119 ILE H . . 2.500 2.469 2.329 2.582 0.082 3 0 "[ . 1 .]" 2
63 1 104 ASP O 1 107 GLY H . . 2.500 2.393 2.009 2.553 0.053 8 0 "[ . 1 .]" 2
64 1 107 GLY H 1 119 ILE N . . 4.500 3.773 3.693 3.839 . 0 0 "[ . 1 .]" 2
65 1 107 GLY H 1 119 ILE O . . 4.500 4.500 4.357 4.558 0.058 6 0 "[ . 1 .]" 2
66 1 59 TYR H 1 108 LYS N . . 4.000 3.552 3.401 3.702 . 0 0 "[ . 1 .]" 2
67 1 59 TYR H 1 108 LYS O . . 2.500 2.620 2.530 2.702 0.202 15 0 "[ . 1 .]" 2
68 1 108 LYS N 1 119 ILE H . . 4.500 4.354 4.201 4.549 0.049 3 0 "[ . 1 .]" 2
69 1 59 TYR N 1 108 LYS H . . 4.500 4.342 3.668 4.528 0.028 12 0 "[ . 1 .]" 2
70 1 59 TYR H 1 109 LEU N . . 4.500 4.609 4.577 4.636 0.136 14 0 "[ . 1 .]" 2
71 1 109 LEU N 1 116 ILE H . . 4.500 4.078 3.965 4.157 . 0 0 "[ . 1 .]" 2
72 1 109 LEU N 1 117 GLY H . . 4.000 3.937 3.726 4.044 0.044 14 0 "[ . 1 .]" 2
73 1 109 LEU O 1 116 ILE H . . 2.500 1.839 1.781 1.884 . 0 0 "[ . 1 .]" 2
74 1 109 LEU O 1 117 GLY H . . 3.000 3.036 2.966 3.066 0.066 10 0 "[ . 1 .]" 2
75 1 109 LEU H 1 117 GLY N . . 4.000 3.867 3.689 3.998 . 0 0 "[ . 1 .]" 2
76 1 109 LEU H 1 117 GLY O . . 2.500 1.843 1.786 1.917 . 0 0 "[ . 1 .]" 2
77 1 57 CYS H 1 110 LEU N . . 3.500 3.305 3.245 3.344 . 0 0 "[ . 1 .]" 2
78 1 110 LEU N 1 116 ILE H . . 4.000 3.974 3.947 4.010 0.010 11 0 "[ . 1 .]" 2
79 1 111 CYS H 1 114 GLY N . . 4.000 3.066 2.987 3.146 . 0 0 "[ . 1 .]" 2
80 1 113 HIS H 1 114 GLY N . . 3.500 3.069 2.932 3.136 . 0 0 "[ . 1 .]" 2
81 1 111 CYS H 1 114 GLY O . . 2.500 1.796 1.775 1.855 . 0 0 "[ . 1 .]" 2
82 1 114 GLY O 1 115 VAL H . . 3.500 3.115 3.114 3.115 . 0 0 "[ . 1 .]" 2
83 1 111 CYS N 1 114 GLY H . . 4.000 3.546 3.360 3.626 . 0 0 "[ . 1 .]" 2
84 1 111 CYS O 1 114 GLY H . . 3.000 3.094 3.068 3.139 0.139 11 0 "[ . 1 .]" 2
85 1 111 CYS H 1 115 VAL N . . 4.500 3.585 3.523 3.744 . 0 0 "[ . 1 .]" 2
86 1 115 VAL O 1 117 GLY H . . 4.500 4.077 4.004 4.125 . 0 0 "[ . 1 .]" 2
87 1 111 CYS H 1 116 ILE N . . 4.500 4.545 4.500 4.616 0.116 7 0 "[ . 1 .]" 2
88 1 116 ILE O 1 132 LEU H . . 2.500 2.139 1.778 2.589 0.089 6 0 "[ . 1 .]" 2
89 1 116 ILE O 1 133 ARG H . . 3.500 3.406 3.049 3.605 0.105 11 0 "[ . 1 .]" 2
90 1 114 GLY O 1 116 ILE H . . 4.000 3.485 3.309 3.612 . 0 0 "[ . 1 .]" 2
91 1 117 GLY N 1 132 LEU H . . 3.500 3.363 3.123 3.592 0.092 12 0 "[ . 1 .]" 2
92 1 117 GLY H 1 130 THR O . . 5.000 4.981 4.930 5.060 0.060 12 0 "[ . 1 .]" 2
93 1 16 ASN O 1 19 LEU H . . 2.500 2.214 2.024 2.498 . 0 0 "[ . 1 .]" 2
94 1 16 ASN O 1 20 THR H . . 3.500 2.462 2.199 2.770 . 0 0 "[ . 1 .]" 2
95 1 17 ALA O 1 19 LEU H . . 3.500 3.196 2.870 3.408 . 0 0 "[ . 1 .]" 2
96 1 17 ALA O 1 20 THR H . . 2.500 2.453 2.174 2.512 0.012 8 0 "[ . 1 .]" 2
97 1 59 TYR O 1 61 ARG H . . 3.500 3.080 2.649 3.187 . 0 0 "[ . 1 .]" 2
98 1 60 SER O 1 64 ASP H . . 2.500 2.282 2.230 2.303 . 0 0 "[ . 1 .]" 2
99 1 60 SER O 1 65 ARG H . . 2.500 2.081 2.045 2.244 . 0 0 "[ . 1 .]" 2
100 1 60 SER H 1 65 ARG O . . 2.500 1.949 1.908 2.087 . 0 0 "[ . 1 .]" 2
101 1 60 SER O 1 63 LEU H . . 2.500 2.509 2.500 2.520 0.020 8 0 "[ . 1 .]" 2
102 1 61 ARG O 1 64 ASP H . . 2.500 2.513 2.504 2.529 0.029 8 0 "[ . 1 .]" 2
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