NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
628857 |
6cws   |
30445 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6cws
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 1276
_Distance_constraint_stats_list.Viol_count 1749
_Distance_constraint_stats_list.Viol_total 2030.746
_Distance_constraint_stats_list.Viol_max 0.252
_Distance_constraint_stats_list.Viol_rms 0.0192
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0581
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLU 0.147 0.133 13 0 "[ . 1 . 2]"
1 3 ALA 0.615 0.134 15 0 "[ . 1 . 2]"
1 4 ILE 0.145 0.133 9 0 "[ . 1 . 2]"
1 5 LEU 0.145 0.133 9 0 "[ . 1 . 2]"
1 6 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ILE 0.855 0.134 15 0 "[ . 1 . 2]"
1 8 ALA 0.102 0.064 18 0 "[ . 1 . 2]"
1 10 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 CYS 0.503 0.089 3 0 "[ . 1 . 2]"
1 12 CYS 6.147 0.226 14 0 "[ . 1 . 2]"
1 13 THR 0.440 0.087 12 0 "[ . 1 . 2]"
1 14 GLU 0.797 0.099 20 0 "[ . 1 . 2]"
1 15 VAL 3.710 0.138 16 0 "[ . 1 . 2]"
1 16 SER 0.512 0.098 9 0 "[ . 1 . 2]"
1 17 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 HIS 1.213 0.151 11 0 "[ . 1 . 2]"
1 19 ILE 4.280 0.198 13 0 "[ . 1 . 2]"
1 20 SER 1.810 0.092 11 0 "[ . 1 . 2]"
1 21 ARG 2.820 0.213 12 0 "[ . 1 . 2]"
1 22 ARG 0.208 0.074 9 0 "[ . 1 . 2]"
1 23 LEU 6.800 0.211 19 0 "[ . 1 . 2]"
1 24 LEU 8.993 0.211 19 0 "[ . 1 . 2]"
1 25 GLU 5.006 0.217 9 0 "[ . 1 . 2]"
1 26 ARG 1.852 0.164 12 0 "[ . 1 . 2]"
1 27 VAL 3.500 0.157 9 0 "[ . 1 . 2]"
1 28 ASN 2.876 0.113 20 0 "[ . 1 . 2]"
1 29 MET 2.832 0.147 11 0 "[ . 1 . 2]"
1 30 CYS 0.016 0.009 2 0 "[ . 1 . 2]"
1 31 ARG 0.312 0.090 5 0 "[ . 1 . 2]"
1 32 ILE 0.525 0.104 17 0 "[ . 1 . 2]"
1 33 GLN 2.194 0.156 19 0 "[ . 1 . 2]"
1 34 ARG 1.076 0.125 2 0 "[ . 1 . 2]"
1 35 ALA 2.316 0.249 3 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLY 1.080 0.249 3 0 "[ . 1 . 2]"
1 38 ASP 0.159 0.051 9 0 "[ . 1 . 2]"
1 39 CYS 2.548 0.212 3 0 "[ . 1 . 2]"
1 40 ASP 0.345 0.132 3 0 "[ . 1 . 2]"
1 41 LEU 1.954 0.105 5 0 "[ . 1 . 2]"
1 42 ALA 0.490 0.083 12 0 "[ . 1 . 2]"
1 43 ALA 0.836 0.089 3 0 "[ . 1 . 2]"
1 44 VAL 0.051 0.028 7 0 "[ . 1 . 2]"
1 45 ILE 5.352 0.226 14 0 "[ . 1 . 2]"
1 46 LEU 1.689 0.080 16 0 "[ . 1 . 2]"
1 47 HIS 8.945 0.147 11 0 "[ . 1 . 2]"
1 48 VAL 2.627 0.105 20 0 "[ . 1 . 2]"
1 49 LYS 0.188 0.051 20 0 "[ . 1 . 2]"
1 50 ARG 0.901 0.172 15 0 "[ . 1 . 2]"
1 51 ARG 1.143 0.172 15 0 "[ . 1 . 2]"
1 52 ARG 5.257 0.138 10 0 "[ . 1 . 2]"
1 53 ILE 3.908 0.195 15 0 "[ . 1 . 2]"
1 54 CYS 3.673 0.151 8 0 "[ . 1 . 2]"
1 55 VAL 0.172 0.039 6 0 "[ . 1 . 2]"
1 56 SER 2.316 0.098 9 0 "[ . 1 . 2]"
1 57 PRO 0.299 0.030 2 0 "[ . 1 . 2]"
1 58 HIS 1.775 0.126 6 0 "[ . 1 . 2]"
1 59 ASN 0.639 0.057 12 0 "[ . 1 . 2]"
1 60 HIS 1.454 0.147 12 0 "[ . 1 . 2]"
1 61 THR 0.916 0.080 8 0 "[ . 1 . 2]"
1 62 VAL 3.923 0.135 14 0 "[ . 1 . 2]"
1 63 LYS 5.590 0.198 13 0 "[ . 1 . 2]"
1 64 GLN 4.608 0.213 12 0 "[ . 1 . 2]"
1 65 TRP 16.746 0.252 5 0 "[ . 1 . 2]"
1 66 MET 2.378 0.128 13 0 "[ . 1 . 2]"
1 67 LYS 2.203 0.110 11 0 "[ . 1 . 2]"
1 68 VAL 1.753 0.095 15 0 "[ . 1 . 2]"
1 69 GLN 2.663 0.096 3 0 "[ . 1 . 2]"
1 70 ALA 5.134 0.235 12 0 "[ . 1 . 2]"
1 71 ALA 0.346 0.140 4 0 "[ . 1 . 2]"
1 72 LYS 3.714 0.177 5 0 "[ . 1 . 2]"
1 73 LYS 0.347 0.128 8 0 "[ . 1 . 2]"
1 74 ASN 1.380 0.198 12 0 "[ . 1 . 2]"
1 75 GLY 0.711 0.198 12 0 "[ . 1 . 2]"
1 76 LYS 0.986 0.210 20 0 "[ . 1 . 2]"
1 77 GLY 3.147 0.169 5 0 "[ . 1 . 2]"
1 78 ASN 7.776 0.235 12 0 "[ . 1 . 2]"
1 79 VAL 3.961 0.252 5 0 "[ . 1 . 2]"
1 80 CYS 0.010 0.010 18 0 "[ . 1 . 2]"
1 81 HIS 2.460 0.147 8 0 "[ . 1 . 2]"
1 82 ARG 0.491 0.087 17 0 "[ . 1 . 2]"
1 83 LYS 0.662 0.106 3 0 "[ . 1 . 2]"
1 84 LYS 1.273 0.149 1 0 "[ . 1 . 2]"
1 85 HIS 2.696 0.192 18 0 "[ . 1 . 2]"
1 86 HIS 0.004 0.004 10 0 "[ . 1 . 2]"
1 88 LYS 0.089 0.035 12 0 "[ . 1 . 2]"
1 91 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 0.055 0.031 9 0 "[ . 1 . 2]"
1 102 TYR 0.055 0.031 9 0 "[ . 1 . 2]"
1 105 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 PRO 0.091 0.049 20 0 "[ . 1 . 2]"
1 108 TYR 1.373 0.142 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 ILE MD 1 4 ILE MG . . 2.400 1.963 1.902 2.126 . 0 0 "[ . 1 . 2]" 1
2 1 4 ILE HA 1 4 ILE MD . . 4.440 3.540 2.003 4.227 . 0 0 "[ . 1 . 2]" 1
3 1 4 ILE HB 1 4 ILE MD . . 3.640 2.656 2.430 3.291 . 0 0 "[ . 1 . 2]" 1
4 1 7 ILE MD 1 7 ILE MG . . 2.400 1.949 1.911 2.020 . 0 0 "[ . 1 . 2]" 1
5 1 7 ILE HB 1 7 ILE MD . . 3.300 2.574 2.419 3.255 . 0 0 "[ . 1 . 2]" 1
6 1 13 THR HA 1 13 THR MG . . 3.630 2.472 2.191 3.235 . 0 0 "[ . 1 . 2]" 1
7 1 14 GLU HA 1 14 GLU QG . . 3.910 2.958 2.470 3.586 . 0 0 "[ . 1 . 2]" 1
8 1 21 ARG HA 1 21 ARG QD . . 4.340 4.027 3.751 4.146 . 0 0 "[ . 1 . 2]" 1
9 1 22 ARG HA 1 22 ARG QD . . 4.890 3.695 1.895 4.525 . 0 0 "[ . 1 . 2]" 1
10 1 23 LEU HA 1 23 LEU MD2 . . 4.170 3.024 2.129 3.923 . 0 0 "[ . 1 . 2]" 1
11 1 24 LEU HA 1 24 LEU MD1 . . 4.540 3.802 3.773 3.826 . 0 0 "[ . 1 . 2]" 1
12 1 24 LEU HB3 1 24 LEU MD1 . . 3.030 2.333 2.269 2.367 . 0 0 "[ . 1 . 2]" 1
13 1 24 LEU HA 1 24 LEU MD2 . . 3.640 1.989 1.952 2.062 . 0 0 "[ . 1 . 2]" 1
14 1 26 ARG HA 1 26 ARG QD . . 4.980 4.029 2.994 4.265 . 0 0 "[ . 1 . 2]" 1
15 1 27 VAL HA 1 27 VAL MG2 . . 3.490 2.348 2.323 2.377 . 0 0 "[ . 1 . 2]" 1
16 1 31 ARG HA 1 31 ARG HD2 . . 5.500 3.941 2.145 4.723 . 0 0 "[ . 1 . 2]" 1
17 1 31 ARG QB 1 32 ILE HA . . 5.060 4.686 4.388 4.906 . 0 0 "[ . 1 . 2]" 1
18 1 32 ILE HA 1 32 ILE MD . . 4.070 2.404 2.024 3.787 . 0 0 "[ . 1 . 2]" 1
19 1 26 ARG HB2 1 26 ARG QD . . 3.400 2.468 2.297 3.420 0.020 12 0 "[ . 1 . 2]" 1
20 1 41 LEU HA 1 41 LEU MD1 . . 4.230 2.954 2.109 3.827 . 0 0 "[ . 1 . 2]" 1
21 1 41 LEU HA 1 41 LEU MD2 . . 4.230 3.332 2.123 3.924 . 0 0 "[ . 1 . 2]" 1
22 1 49 LYS HA 1 49 LYS QD . . 4.440 2.970 1.958 4.218 . 0 0 "[ . 1 . 2]" 1
23 1 49 LYS HA 1 49 LYS QE . . 5.500 4.097 2.577 4.979 . 0 0 "[ . 1 . 2]" 1
24 1 49 LYS HB3 1 49 LYS QD . . 3.620 2.517 2.366 3.035 . 0 0 "[ . 1 . 2]" 1
25 1 50 ARG HB3 1 50 ARG QD . . 3.910 2.590 2.372 3.274 . 0 0 "[ . 1 . 2]" 1
26 1 50 ARG HA 1 50 ARG QD . . 4.580 4.169 1.988 4.532 . 0 0 "[ . 1 . 2]" 1
27 1 50 ARG HB2 1 50 ARG QD . . 3.910 2.607 2.256 2.975 . 0 0 "[ . 1 . 2]" 1
28 1 52 ARG HA 1 52 ARG HD2 . . 5.500 4.912 4.729 5.041 . 0 0 "[ . 1 . 2]" 1
29 1 53 ILE MD 1 53 ILE MG . . 2.930 2.715 1.951 3.125 0.195 15 0 "[ . 1 . 2]" 1
30 1 53 ILE MG 1 55 VAL HA . . 5.500 4.128 3.848 4.375 . 0 0 "[ . 1 . 2]" 1
31 1 63 LYS HA 1 63 LYS QD . . 4.550 3.635 2.160 4.045 . 0 0 "[ . 1 . 2]" 1
32 1 63 LYS QB 1 63 LYS QD . . 3.090 2.197 2.071 2.389 . 0 0 "[ . 1 . 2]" 1
33 1 63 LYS HA 1 63 LYS QE . . 5.500 4.540 4.108 4.977 . 0 0 "[ . 1 . 2]" 1
34 1 67 LYS QB 1 67 LYS QD . . 3.410 2.326 2.136 2.414 . 0 0 "[ . 1 . 2]" 1
35 1 67 LYS HA 1 67 LYS QE . . 5.500 4.133 1.801 4.903 . 0 0 "[ . 1 . 2]" 1
36 1 73 LYS HB2 1 73 LYS QD . . 3.120 2.587 2.286 3.248 0.128 8 0 "[ . 1 . 2]" 1
37 1 73 LYS HB3 1 73 LYS QE . . 5.110 3.383 1.929 4.187 . 0 0 "[ . 1 . 2]" 1
38 1 73 LYS HB3 1 73 LYS QD . . 3.120 2.502 2.325 2.998 . 0 0 "[ . 1 . 2]" 1
39 1 76 LYS HA 1 76 LYS QD . . 4.390 4.019 2.759 4.466 0.076 19 0 "[ . 1 . 2]" 1
40 1 76 LYS HA 1 76 LYS QE . . 5.500 4.250 2.875 5.065 . 0 0 "[ . 1 . 2]" 1
41 1 76 LYS QD 1 76 LYS QG . . 2.400 2.019 1.988 2.081 . 0 0 "[ . 1 . 2]" 1
42 1 76 LYS QE 1 76 LYS QG . . 3.370 2.439 2.015 2.844 . 0 0 "[ . 1 . 2]" 1
43 1 84 LYS QB 1 84 LYS QD . . 3.160 2.373 2.090 2.804 . 0 0 "[ . 1 . 2]" 1
44 1 88 LYS HA 1 88 LYS QE . . 5.500 4.394 3.993 4.906 . 0 0 "[ . 1 . 2]" 1
45 1 88 LYS QD 1 88 LYS QG . . 2.400 2.082 2.003 2.097 . 0 0 "[ . 1 . 2]" 1
46 1 88 LYS QB 1 88 LYS QE . . 3.820 3.465 1.992 3.855 0.035 12 0 "[ . 1 . 2]" 1
47 1 72 LYS HA 1 72 LYS QE . . 5.500 3.922 2.606 4.510 . 0 0 "[ . 1 . 2]" 1
48 1 4 ILE HG12 1 4 ILE MG . . 3.500 2.618 2.354 3.232 . 0 0 "[ . 1 . 2]" 1
49 1 4 ILE HG13 1 4 ILE MG . . 3.500 3.002 2.340 3.235 . 0 0 "[ . 1 . 2]" 1
50 1 19 ILE HA 1 19 ILE MD . . 4.340 3.700 2.133 3.829 . 0 0 "[ . 1 . 2]" 1
51 1 32 ILE MD 1 32 ILE MG . . 2.400 1.990 1.901 2.032 . 0 0 "[ . 1 . 2]" 1
52 1 72 LYS QB 1 72 LYS QD . . 3.120 2.447 2.339 2.868 . 0 0 "[ . 1 . 2]" 1
53 1 72 LYS HA 1 72 LYS QD . . 4.420 2.315 1.846 3.649 . 0 0 "[ . 1 . 2]" 1
54 1 71 ALA MB 1 72 LYS QD . . 3.690 3.458 2.992 3.830 0.140 4 0 "[ . 1 . 2]" 1
55 1 73 LYS HA 1 73 LYS QE . . 5.500 4.423 3.834 5.411 . 0 0 "[ . 1 . 2]" 1
56 1 41 LEU HA 1 41 LEU HG . . 4.250 3.054 2.655 3.863 . 0 0 "[ . 1 . 2]" 1
57 1 23 LEU HA 1 23 LEU HG . . 4.220 3.423 2.636 3.885 . 0 0 "[ . 1 . 2]" 1
58 1 23 LEU HA 1 23 LEU MD1 . . 4.170 2.972 2.253 3.865 . 0 0 "[ . 1 . 2]" 1
59 1 45 ILE HA 1 45 ILE MD . . 4.560 3.771 2.288 3.921 . 0 0 "[ . 1 . 2]" 1
60 1 45 ILE MD 1 45 ILE MG . . 3.420 2.011 1.928 3.180 . 0 0 "[ . 1 . 2]" 1
61 1 31 ARG HA 1 31 ARG HD3 . . 5.500 4.124 2.101 4.939 . 0 0 "[ . 1 . 2]" 1
62 1 2 GLU HB3 1 3 ALA H . . 5.190 3.572 1.868 4.521 . 0 0 "[ . 1 . 2]" 1
63 1 3 ALA MB 1 7 ILE H . . 5.500 4.427 2.805 5.189 . 0 0 "[ . 1 . 2]" 1
64 1 7 ILE H 1 7 ILE HB . . 3.790 3.508 2.426 3.806 0.016 13 0 "[ . 1 . 2]" 1
65 1 7 ILE H 1 7 ILE MG . . 4.790 3.644 2.173 4.080 . 0 0 "[ . 1 . 2]" 1
66 1 7 ILE HA 1 8 ALA H . . 3.420 2.376 2.022 3.484 0.064 18 0 "[ . 1 . 2]" 1
67 1 7 ILE HB 1 8 ALA H . . 4.620 3.787 2.055 4.498 . 0 0 "[ . 1 . 2]" 1
68 1 10 SER QB 1 11 CYS H . . 5.160 3.128 2.307 3.784 . 0 0 "[ . 1 . 2]" 1
69 1 16 SER QB 1 55 VAL HA . . 4.640 3.231 2.886 3.490 . 0 0 "[ . 1 . 2]" 1
70 1 13 THR HA 1 41 LEU QB . . 5.470 3.275 2.294 4.098 . 0 0 "[ . 1 . 2]" 1
71 1 14 GLU HB2 1 15 VAL H . . 4.130 3.287 2.423 4.086 . 0 0 "[ . 1 . 2]" 1
72 1 14 GLU H 1 14 GLU HB3 . . 4.120 3.422 2.575 3.856 . 0 0 "[ . 1 . 2]" 1
73 1 14 GLU HB3 1 15 VAL H . . 4.130 3.449 2.385 4.044 . 0 0 "[ . 1 . 2]" 1
74 1 14 GLU H 1 14 GLU QG . . 3.980 2.851 2.253 4.011 0.031 8 0 "[ . 1 . 2]" 1
75 1 15 VAL MG2 1 54 CYS HB3 . . 4.670 4.775 4.742 4.808 0.138 16 0 "[ . 1 . 2]" 1
76 1 15 VAL MG2 1 54 CYS HB2 . . 4.870 4.873 4.770 4.938 0.068 18 0 "[ . 1 . 2]" 1
77 1 15 VAL MG1 1 54 CYS HB2 . . 4.870 2.963 2.632 3.536 . 0 0 "[ . 1 . 2]" 1
78 1 15 VAL MG1 1 16 SER QB . . 5.330 5.081 4.868 5.347 0.017 19 0 "[ . 1 . 2]" 1
79 1 15 VAL MG2 1 16 SER QB . . 5.330 4.896 4.655 5.289 . 0 0 "[ . 1 . 2]" 1
80 1 15 VAL HB 1 54 CYS HB2 . . 5.500 4.468 4.099 5.322 . 0 0 "[ . 1 . 2]" 1
81 1 15 VAL HA 1 16 SER QB . . 4.900 4.185 3.911 4.529 . 0 0 "[ . 1 . 2]" 1
82 1 15 VAL HA 1 54 CYS HB2 . . 4.590 2.408 2.185 2.809 . 0 0 "[ . 1 . 2]" 1
83 1 15 VAL HA 1 16 SER H . . 3.090 2.255 2.104 2.354 . 0 0 "[ . 1 . 2]" 1
84 1 15 VAL HB 1 55 VAL HA . . 4.490 2.488 2.136 3.631 . 0 0 "[ . 1 . 2]" 1
85 1 15 VAL HB 1 56 SER H . . 4.740 3.171 2.926 3.550 . 0 0 "[ . 1 . 2]" 1
86 1 15 VAL HA 1 55 VAL HA . . 5.250 3.564 3.237 3.877 . 0 0 "[ . 1 . 2]" 1
87 1 15 VAL MG1 1 56 SER HA . . 4.540 2.978 2.677 3.153 . 0 0 "[ . 1 . 2]" 1
88 1 15 VAL MG1 1 55 VAL HA . . 5.500 3.257 3.073 3.499 . 0 0 "[ . 1 . 2]" 1
89 1 15 VAL MG2 1 55 VAL HA . . 5.500 4.031 3.624 4.978 . 0 0 "[ . 1 . 2]" 1
90 1 15 VAL MG2 1 56 SER H . . 5.090 3.872 3.442 4.930 . 0 0 "[ . 1 . 2]" 1
91 1 15 VAL MG1 1 56 SER H . . 5.090 3.844 3.549 4.051 . 0 0 "[ . 1 . 2]" 1
92 1 15 VAL MG1 1 16 SER H . . 5.350 3.575 3.419 3.697 . 0 0 "[ . 1 . 2]" 1
93 1 19 ILE HA 1 20 SER H . . 2.970 2.336 2.294 2.391 . 0 0 "[ . 1 . 2]" 1
94 1 19 ILE MG 1 20 SER H . . 3.850 3.478 3.308 3.706 . 0 0 "[ . 1 . 2]" 1
95 1 19 ILE MD 1 20 SER H . . 5.150 3.640 2.552 3.841 . 0 0 "[ . 1 . 2]" 1
96 1 20 SER HB3 1 22 ARG QB . . 5.230 3.711 3.113 4.351 . 0 0 "[ . 1 . 2]" 1
97 1 20 SER HB3 1 23 LEU QB . . 5.210 4.875 4.151 5.251 0.041 15 0 "[ . 1 . 2]" 1
98 1 20 SER HB2 1 22 ARG QB . . 5.310 3.743 2.961 4.753 . 0 0 "[ . 1 . 2]" 1
99 1 20 SER HB2 1 23 LEU QB . . 4.800 3.570 2.777 3.996 . 0 0 "[ . 1 . 2]" 1
100 1 20 SER HB3 1 23 LEU H . . 4.330 4.128 3.616 4.356 0.026 2 0 "[ . 1 . 2]" 1
101 1 20 SER H 1 20 SER HB3 . . 3.820 3.636 3.587 3.690 . 0 0 "[ . 1 . 2]" 1
102 1 20 SER HB3 1 22 ARG H . . 4.390 3.038 2.813 3.168 . 0 0 "[ . 1 . 2]" 1
103 1 20 SER HB2 1 23 LEU H . . 4.090 3.314 2.909 3.596 . 0 0 "[ . 1 . 2]" 1
104 1 21 ARG HA 1 61 THR MG . . 4.550 3.091 2.592 3.453 . 0 0 "[ . 1 . 2]" 1
105 1 21 ARG HA 1 24 LEU H . . 4.120 2.936 2.716 3.216 . 0 0 "[ . 1 . 2]" 1
106 1 21 ARG QG 1 64 GLN H . . 5.390 5.324 5.053 5.530 0.140 4 0 "[ . 1 . 2]" 1
107 1 22 ARG HA 1 25 GLU HG2 . . 5.400 3.983 2.709 5.358 . 0 0 "[ . 1 . 2]" 1
108 1 22 ARG HA 1 25 GLU H . . 4.060 3.733 3.323 4.093 0.033 10 0 "[ . 1 . 2]" 1
109 1 22 ARG QB 1 23 LEU H . . 3.400 2.764 2.399 3.474 0.074 9 0 "[ . 1 . 2]" 1
110 1 22 ARG H 1 22 ARG QD . . 5.500 4.060 3.096 4.732 . 0 0 "[ . 1 . 2]" 1
111 1 22 ARG QB 1 23 LEU HA . . 4.680 4.160 3.868 4.520 . 0 0 "[ . 1 . 2]" 1
112 1 23 LEU HA 1 26 ARG QD . . 5.110 2.707 2.273 4.459 . 0 0 "[ . 1 . 2]" 1
113 1 23 LEU MD1 1 24 LEU HA . . 5.130 3.729 2.700 5.136 0.006 2 0 "[ . 1 . 2]" 1
114 1 23 LEU MD2 1 24 LEU HA . . 5.130 4.243 2.838 4.732 . 0 0 "[ . 1 . 2]" 1
115 1 23 LEU MD1 1 24 LEU MD2 . . 4.690 3.759 2.568 4.666 . 0 0 "[ . 1 . 2]" 1
116 1 23 LEU HG 1 24 LEU MD2 . . 5.500 4.491 3.487 5.639 0.139 2 0 "[ . 1 . 2]" 1
117 1 23 LEU QB 1 24 LEU MD2 . . 5.500 3.972 3.539 4.308 . 0 0 "[ . 1 . 2]" 1
118 1 23 LEU MD2 1 24 LEU MD2 . . 4.690 4.125 2.929 4.901 0.211 19 0 "[ . 1 . 2]" 1
119 1 23 LEU HA 1 25 GLU H . . 5.500 4.335 4.023 4.526 . 0 0 "[ . 1 . 2]" 1
120 1 23 LEU QB 1 24 LEU H . . 3.700 2.617 2.503 2.725 . 0 0 "[ . 1 . 2]" 1
121 1 23 LEU H 1 23 LEU QB . . 2.950 2.227 2.166 2.270 . 0 0 "[ . 1 . 2]" 1
122 1 20 SER H 1 23 LEU QB . . 5.500 3.652 3.315 3.975 . 0 0 "[ . 1 . 2]" 1
123 1 23 LEU HG 1 24 LEU H . . 5.500 4.326 3.331 5.034 . 0 0 "[ . 1 . 2]" 1
124 1 23 LEU H 1 23 LEU HG . . 5.080 4.484 4.240 4.696 . 0 0 "[ . 1 . 2]" 1
125 1 23 LEU H 1 23 LEU MD2 . . 5.500 4.204 4.147 4.263 . 0 0 "[ . 1 . 2]" 1
126 1 19 ILE MG 1 24 LEU HG . . 4.820 2.775 2.618 2.989 . 0 0 "[ . 1 . 2]" 1
127 1 19 ILE MG 1 24 LEU MD1 . . 4.260 2.014 1.922 2.181 . 0 0 "[ . 1 . 2]" 1
128 1 19 ILE MG 1 24 LEU MD2 . . 3.840 2.016 1.868 2.387 . 0 0 "[ . 1 . 2]" 1
129 1 24 LEU MD2 1 46 LEU MD2 . . 4.480 3.111 2.617 3.351 . 0 0 "[ . 1 . 2]" 1
130 1 24 LEU HA 1 27 VAL HB . . 5.500 3.578 3.361 3.744 . 0 0 "[ . 1 . 2]" 1
131 1 24 LEU MD1 1 62 VAL HB . . 5.500 4.386 4.121 4.668 . 0 0 "[ . 1 . 2]" 1
132 1 24 LEU MD2 1 27 VAL HB . . 5.500 4.092 3.621 4.348 . 0 0 "[ . 1 . 2]" 1
133 1 24 LEU HA 1 26 ARG H . . 4.450 3.658 3.548 3.720 . 0 0 "[ . 1 . 2]" 1
134 1 23 LEU H 1 24 LEU HB2 . . 5.500 4.449 4.346 4.615 . 0 0 "[ . 1 . 2]" 1
135 1 21 ARG HA 1 24 LEU HB3 . . 5.500 3.621 3.455 3.915 . 0 0 "[ . 1 . 2]" 1
136 1 24 LEU HB3 1 65 TRP HD1 . . 5.500 3.012 2.721 3.302 . 0 0 "[ . 1 . 2]" 1
137 1 24 LEU HB3 1 25 GLU H . . 4.480 3.520 3.433 3.726 . 0 0 "[ . 1 . 2]" 1
138 1 24 LEU HG 1 65 TRP HB2 . . 5.500 4.748 4.471 4.926 . 0 0 "[ . 1 . 2]" 1
139 1 21 ARG HA 1 24 LEU HG . . 5.110 2.785 2.503 3.121 . 0 0 "[ . 1 . 2]" 1
140 1 23 LEU H 1 24 LEU HG . . 4.680 4.154 3.880 4.515 . 0 0 "[ . 1 . 2]" 1
141 1 21 ARG QD 1 24 LEU MD1 . . 4.220 3.776 3.517 4.049 . 0 0 "[ . 1 . 2]" 1
142 1 21 ARG HA 1 24 LEU MD1 . . 3.900 1.888 1.788 1.954 . 0 0 "[ . 1 . 2]" 1
143 1 24 LEU MD1 1 61 THR HB . . 5.300 3.278 3.067 3.496 . 0 0 "[ . 1 . 2]" 1
144 1 24 LEU H 1 24 LEU MD1 . . 4.230 3.570 3.452 3.675 . 0 0 "[ . 1 . 2]" 1
145 1 24 LEU H 1 24 LEU HB2 . . 3.510 2.367 2.226 2.437 . 0 0 "[ . 1 . 2]" 1
146 1 24 LEU H 1 24 LEU HB3 . . 3.880 3.523 3.470 3.557 . 0 0 "[ . 1 . 2]" 1
147 1 24 LEU MD1 1 25 GLU H . . 5.500 4.505 4.330 4.761 . 0 0 "[ . 1 . 2]" 1
148 1 24 LEU MD1 1 65 TRP HE3 . . 4.540 3.091 2.780 3.308 . 0 0 "[ . 1 . 2]" 1
149 1 24 LEU MD2 1 65 TRP HB2 . . 5.280 4.183 3.983 4.356 . 0 0 "[ . 1 . 2]" 1
150 1 21 ARG HA 1 24 LEU MD2 . . 4.930 4.070 3.922 4.286 . 0 0 "[ . 1 . 2]" 1
151 1 24 LEU H 1 24 LEU MD2 . . 4.210 3.431 3.211 3.668 . 0 0 "[ . 1 . 2]" 1
152 1 24 LEU MD2 1 65 TRP HD1 . . 5.500 4.741 4.460 5.003 . 0 0 "[ . 1 . 2]" 1
153 1 24 LEU MD2 1 65 TRP HE3 . . 4.700 3.328 3.131 3.571 . 0 0 "[ . 1 . 2]" 1
154 1 24 LEU MD2 1 65 TRP HH2 . . 4.800 4.110 3.848 4.531 . 0 0 "[ . 1 . 2]" 1
155 1 22 ARG HA 1 25 GLU HG3 . . 5.400 3.354 2.891 3.835 . 0 0 "[ . 1 . 2]" 1
156 1 25 GLU HA 1 27 VAL H . . 4.770 3.711 3.396 3.959 . 0 0 "[ . 1 . 2]" 1
157 1 25 GLU HA 1 65 TRP HE1 . . 4.780 2.255 2.011 2.499 . 0 0 "[ . 1 . 2]" 1
158 1 25 GLU H 1 25 GLU HG2 . . 3.820 2.417 1.848 3.300 . 0 0 "[ . 1 . 2]" 1
159 1 26 ARG HB3 1 48 VAL MG1 . . 5.090 2.635 2.191 3.220 . 0 0 "[ . 1 . 2]" 1
160 1 26 ARG HA 1 26 ARG HG2 . . 4.200 2.628 2.524 2.861 . 0 0 "[ . 1 . 2]" 1
161 1 26 ARG HB2 1 26 ARG HG3 . . 2.490 2.427 2.317 2.466 . 0 0 "[ . 1 . 2]" 1
162 1 22 ARG HA 1 26 ARG HG3 . . 5.400 4.781 4.457 5.431 0.031 12 0 "[ . 1 . 2]" 1
163 1 23 LEU HA 1 26 ARG HG2 . . 4.650 4.583 3.269 4.721 0.071 7 0 "[ . 1 . 2]" 1
164 1 23 LEU HA 1 26 ARG HB2 . . 5.420 3.319 3.139 3.703 . 0 0 "[ . 1 . 2]" 1
165 1 23 LEU HA 1 26 ARG HB3 . . 5.500 4.777 4.535 5.017 . 0 0 "[ . 1 . 2]" 1
166 1 26 ARG H 1 26 ARG HG3 . . 5.280 2.472 2.263 3.443 . 0 0 "[ . 1 . 2]" 1
167 1 26 ARG H 1 26 ARG HG2 . . 3.770 3.509 2.192 3.708 . 0 0 "[ . 1 . 2]" 1
168 1 26 ARG H 1 27 VAL HB . . 5.270 4.533 4.423 4.660 . 0 0 "[ . 1 . 2]" 1
169 1 27 VAL HB 1 28 ASN H . . 4.820 4.136 4.072 4.208 . 0 0 "[ . 1 . 2]" 1
170 1 27 VAL H 1 27 VAL MG2 . . 3.240 2.214 2.135 2.322 . 0 0 "[ . 1 . 2]" 1
171 1 26 ARG H 1 27 VAL MG2 . . 4.710 3.367 3.255 3.495 . 0 0 "[ . 1 . 2]" 1
172 1 27 VAL MG2 1 28 ASN H . . 4.230 3.863 3.791 3.917 . 0 0 "[ . 1 . 2]" 1
173 1 27 VAL MG1 1 46 LEU HA . . 5.150 2.667 2.482 2.839 . 0 0 "[ . 1 . 2]" 1
174 1 27 VAL MG2 1 46 LEU HA . . 5.500 3.889 3.615 4.297 . 0 0 "[ . 1 . 2]" 1
175 1 28 ASN HA 1 28 ASN HD21 . . 4.510 3.919 3.092 4.104 . 0 0 "[ . 1 . 2]" 1
176 1 28 ASN QB 1 29 MET H . . 4.260 3.093 2.599 3.805 . 0 0 "[ . 1 . 2]" 1
177 1 29 MET HB3 1 47 HIS QB . . 4.950 1.892 1.758 3.479 . 0 0 "[ . 1 . 2]" 1
178 1 29 MET HB2 1 47 HIS QB . . 4.530 2.377 1.835 2.460 . 0 0 "[ . 1 . 2]" 1
179 1 29 MET QG 1 47 HIS QB . . 5.080 3.394 2.650 3.532 . 0 0 "[ . 1 . 2]" 1
180 1 29 MET HB3 1 30 CYS H . . 5.470 3.778 3.073 4.045 . 0 0 "[ . 1 . 2]" 1
181 1 29 MET HB2 1 30 CYS H . . 5.140 4.257 3.996 4.387 . 0 0 "[ . 1 . 2]" 1
182 1 29 MET QG 1 30 CYS H . . 4.600 2.837 2.460 4.604 0.004 7 0 "[ . 1 . 2]" 1
183 1 31 ARG HA 1 32 ILE H . . 3.340 2.193 2.130 2.261 . 0 0 "[ . 1 . 2]" 1
184 1 31 ARG QB 1 32 ILE H . . 5.470 3.728 3.538 3.882 . 0 0 "[ . 1 . 2]" 1
185 1 32 ILE MD 1 44 VAL HA . . 4.760 3.068 2.499 4.364 . 0 0 "[ . 1 . 2]" 1
186 1 32 ILE MD 1 57 PRO HG3 . . 5.140 4.298 3.421 5.152 0.012 5 0 "[ . 1 . 2]" 1
187 1 32 ILE MG 1 57 PRO HG3 . . 5.110 3.789 3.199 4.480 . 0 0 "[ . 1 . 2]" 1
188 1 32 ILE HA 1 33 GLN H . . 3.160 2.056 1.934 2.141 . 0 0 "[ . 1 . 2]" 1
189 1 32 ILE H 1 32 ILE HG12 . . 4.170 2.828 2.550 3.844 . 0 0 "[ . 1 . 2]" 1
190 1 32 ILE H 1 32 ILE HG13 . . 4.170 3.695 2.726 3.982 . 0 0 "[ . 1 . 2]" 1
191 1 32 ILE H 1 32 ILE MD . . 5.250 3.658 3.508 4.074 . 0 0 "[ . 1 . 2]" 1
192 1 32 ILE MD 1 33 GLN H . . 5.260 3.952 3.571 5.046 . 0 0 "[ . 1 . 2]" 1
193 1 32 ILE MD 1 45 ILE H . . 5.500 4.319 3.701 5.604 0.104 17 0 "[ . 1 . 2]" 1
194 1 33 GLN HG2 1 39 CYS HB2 . . 5.330 3.359 2.430 3.780 . 0 0 "[ . 1 . 2]" 1
195 1 33 GLN HG3 1 39 CYS HB2 . . 5.330 2.896 2.163 3.450 . 0 0 "[ . 1 . 2]" 1
196 1 33 GLN HG2 1 43 ALA MB . . 5.500 3.857 3.503 4.196 . 0 0 "[ . 1 . 2]" 1
197 1 33 GLN HG3 1 43 ALA MB . . 5.500 4.632 4.411 4.883 . 0 0 "[ . 1 . 2]" 1
198 1 72 LYS QB 1 73 LYS H . . 4.000 3.090 1.932 3.654 . 0 0 "[ . 1 . 2]" 1
199 1 34 ARG HG2 1 37 GLY H . . 5.500 4.109 3.059 5.485 . 0 0 "[ . 1 . 2]" 1
200 1 34 ARG HG2 1 38 ASP H . . 5.500 4.178 2.780 5.505 0.005 12 0 "[ . 1 . 2]" 1
201 1 34 ARG HG3 1 37 GLY H . . 5.500 2.919 1.960 4.176 . 0 0 "[ . 1 . 2]" 1
202 1 34 ARG HG3 1 38 ASP H . . 5.500 3.647 2.422 5.062 . 0 0 "[ . 1 . 2]" 1
203 1 35 ALA MB 1 41 LEU HA . . 4.350 2.728 2.289 3.319 . 0 0 "[ . 1 . 2]" 1
204 1 35 ALA H 1 35 ALA MB . . 3.230 2.263 2.221 2.335 . 0 0 "[ . 1 . 2]" 1
205 1 38 ASP QB 1 39 CYS H . . 3.700 2.031 1.711 2.477 . 0 0 "[ . 1 . 2]" 1
206 1 38 ASP H 1 38 ASP QB . . 3.660 2.546 2.230 2.792 . 0 0 "[ . 1 . 2]" 1
207 1 33 GLN HG2 1 39 CYS HB3 . . 5.500 4.110 2.420 4.971 . 0 0 "[ . 1 . 2]" 1
208 1 33 GLN HG3 1 39 CYS HB3 . . 5.500 4.131 2.625 5.116 . 0 0 "[ . 1 . 2]" 1
209 1 39 CYS HB3 1 41 LEU QB . . 5.500 3.968 3.037 4.652 . 0 0 "[ . 1 . 2]" 1
210 1 38 ASP QB 1 39 CYS HB3 . . 5.090 4.630 3.572 5.141 0.051 9 0 "[ . 1 . 2]" 1
211 1 38 ASP QB 1 39 CYS HB2 . . 4.570 3.653 3.289 4.096 . 0 0 "[ . 1 . 2]" 1
212 1 33 GLN HE22 1 39 CYS HB3 . . 4.750 3.913 3.303 4.242 . 0 0 "[ . 1 . 2]" 1
213 1 33 GLN HE21 1 39 CYS HB3 . . 4.750 4.105 2.971 4.795 0.045 12 0 "[ . 1 . 2]" 1
214 1 39 CYS H 1 39 CYS HB2 . . 3.820 3.143 2.879 3.504 . 0 0 "[ . 1 . 2]" 1
215 1 39 CYS HB2 1 40 ASP H . . 4.240 3.677 2.967 4.196 . 0 0 "[ . 1 . 2]" 1
216 1 33 GLN HE21 1 39 CYS HB2 . . 4.320 3.826 2.931 4.347 0.027 6 0 "[ . 1 . 2]" 1
217 1 40 ASP H 1 40 ASP QB . . 3.510 2.445 2.203 3.343 . 0 0 "[ . 1 . 2]" 1
218 1 40 ASP QB 1 41 LEU QB . . 4.910 3.757 3.353 4.332 . 0 0 "[ . 1 . 2]" 1
219 1 35 ALA MB 1 40 ASP QB . . 5.500 3.925 2.722 4.639 . 0 0 "[ . 1 . 2]" 1
220 1 13 THR HA 1 41 LEU MD2 . . 4.660 3.208 2.089 4.485 . 0 0 "[ . 1 . 2]" 1
221 1 13 THR HA 1 41 LEU MD1 . . 4.660 3.481 1.951 4.718 0.058 11 0 "[ . 1 . 2]" 1
222 1 35 ALA MB 1 41 LEU QB . . 4.920 4.189 3.940 4.486 . 0 0 "[ . 1 . 2]" 1
223 1 41 LEU QB 1 42 ALA H . . 4.880 3.710 3.561 3.839 . 0 0 "[ . 1 . 2]" 1
224 1 33 GLN HE21 1 41 LEU QB . . 4.520 2.744 2.169 3.293 . 0 0 "[ . 1 . 2]" 1
225 1 41 LEU H 1 41 LEU HG . . 5.300 4.785 4.453 5.279 . 0 0 "[ . 1 . 2]" 1
226 1 41 LEU HG 1 42 ALA H . . 5.420 3.281 2.500 4.876 . 0 0 "[ . 1 . 2]" 1
227 1 42 ALA MB 1 43 ALA H . . 3.670 3.199 3.146 3.260 . 0 0 "[ . 1 . 2]" 1
228 1 8 ALA H 1 8 ALA MB . . 3.300 2.517 2.211 2.924 . 0 0 "[ . 1 . 2]" 1
229 1 43 ALA HA 1 57 PRO QD . . 4.480 2.254 1.921 2.922 . 0 0 "[ . 1 . 2]" 1
230 1 43 ALA MB 1 57 PRO QD . . 4.960 3.767 3.480 4.319 . 0 0 "[ . 1 . 2]" 1
231 1 12 CYS HB2 1 43 ALA MB . . 4.140 2.669 2.052 3.726 . 0 0 "[ . 1 . 2]" 1
232 1 33 GLN QB 1 43 ALA MB . . 4.110 2.480 2.316 2.776 . 0 0 "[ . 1 . 2]" 1
233 1 15 VAL HB 1 43 ALA MB . . 5.500 4.304 4.135 4.692 . 0 0 "[ . 1 . 2]" 1
234 1 15 VAL HA 1 43 ALA MB . . 5.210 4.408 3.948 4.689 . 0 0 "[ . 1 . 2]" 1
235 1 33 GLN HE22 1 43 ALA MB . . 4.660 2.861 2.508 3.138 . 0 0 "[ . 1 . 2]" 1
236 1 43 ALA MB 1 55 VAL H . . 4.080 3.796 3.526 4.091 0.011 5 0 "[ . 1 . 2]" 1
237 1 43 ALA MB 1 44 VAL H . . 3.330 2.671 2.494 3.020 . 0 0 "[ . 1 . 2]" 1
238 1 33 GLN H 1 44 VAL HA . . 4.300 3.101 2.906 3.272 . 0 0 "[ . 1 . 2]" 1
239 1 44 VAL HA 1 45 ILE H . . 3.260 2.087 2.064 2.136 . 0 0 "[ . 1 . 2]" 1
240 1 44 VAL H 1 44 VAL HB . . 3.420 2.565 2.520 2.620 . 0 0 "[ . 1 . 2]" 1
241 1 44 VAL HA 1 45 ILE HB . . 5.500 4.572 4.441 4.735 . 0 0 "[ . 1 . 2]" 1
242 1 45 ILE MG 1 46 LEU H . . 3.630 3.017 2.909 3.086 . 0 0 "[ . 1 . 2]" 1
243 1 33 GLN H 1 45 ILE HG12 . . 5.080 4.865 2.852 5.108 0.028 13 0 "[ . 1 . 2]" 1
244 1 45 ILE H 1 45 ILE HG12 . . 4.220 3.269 1.996 3.919 . 0 0 "[ . 1 . 2]" 1
245 1 33 GLN H 1 45 ILE MD . . 5.150 3.949 2.333 4.386 . 0 0 "[ . 1 . 2]" 1
246 1 45 ILE H 1 45 ILE MD . . 4.840 3.456 1.780 3.667 . 0 0 "[ . 1 . 2]" 1
247 1 12 CYS H 1 45 ILE MD . . 4.700 3.064 2.424 3.668 . 0 0 "[ . 1 . 2]" 1
248 1 44 VAL HA 1 45 ILE MD . . 5.420 4.798 2.818 5.030 . 0 0 "[ . 1 . 2]" 1
249 1 12 CYS HB2 1 45 ILE MD . . 5.310 3.093 2.043 3.859 . 0 0 "[ . 1 . 2]" 1
250 1 33 GLN QB 1 45 ILE MD . . 4.020 2.242 1.775 2.566 . 0 0 "[ . 1 . 2]" 1
251 1 24 LEU MD2 1 46 LEU MD1 . . 4.480 1.996 1.877 2.128 . 0 0 "[ . 1 . 2]" 1
252 1 24 LEU MD2 1 46 LEU HG . . 5.500 4.389 4.175 4.560 . 0 0 "[ . 1 . 2]" 1
253 1 46 LEU HB2 1 47 HIS H . . 4.450 4.154 4.075 4.244 . 0 0 "[ . 1 . 2]" 1
254 1 46 LEU H 1 46 LEU HB2 . . 3.850 2.490 2.443 2.560 . 0 0 "[ . 1 . 2]" 1
255 1 46 LEU H 1 46 LEU HG . . 3.720 2.760 2.583 2.878 . 0 0 "[ . 1 . 2]" 1
256 1 46 LEU H 1 46 LEU MD1 . . 5.370 3.827 3.670 3.959 . 0 0 "[ . 1 . 2]" 1
257 1 29 MET HB2 1 47 HIS HA . . 5.310 5.364 4.471 5.457 0.147 11 0 "[ . 1 . 2]" 1
258 1 47 HIS HA 1 52 ARG HA . . 4.480 2.173 1.994 2.378 . 0 0 "[ . 1 . 2]" 1
259 1 47 HIS HA 1 48 VAL H . . 3.070 2.041 1.983 2.092 . 0 0 "[ . 1 . 2]" 1
260 1 47 HIS QB 1 48 VAL H . . 4.090 3.088 2.989 3.162 . 0 0 "[ . 1 . 2]" 1
261 1 27 VAL HA 1 48 VAL HA . . 4.680 2.840 2.158 3.249 . 0 0 "[ . 1 . 2]" 1
262 1 48 VAL HA 1 49 LYS HA . . 5.360 4.298 4.237 4.365 . 0 0 "[ . 1 . 2]" 1
263 1 27 VAL HA 1 48 VAL HB . . 5.160 4.904 4.606 5.155 . 0 0 "[ . 1 . 2]" 1
264 1 27 VAL HA 1 48 VAL MG1 . . 4.360 3.447 3.069 3.749 . 0 0 "[ . 1 . 2]" 1
265 1 26 ARG HB3 1 48 VAL MG2 . . 5.090 4.218 3.473 4.802 . 0 0 "[ . 1 . 2]" 1
266 1 27 VAL HA 1 48 VAL MG2 . . 4.360 2.332 2.078 2.616 . 0 0 "[ . 1 . 2]" 1
267 1 48 VAL HA 1 49 LYS H . . 3.290 2.371 2.261 2.424 . 0 0 "[ . 1 . 2]" 1
268 1 48 VAL HB 1 51 ARG H . . 5.440 2.318 2.034 2.537 . 0 0 "[ . 1 . 2]" 1
269 1 48 VAL H 1 48 VAL HB . . 3.600 2.606 2.558 2.681 . 0 0 "[ . 1 . 2]" 1
270 1 26 ARG H 1 48 VAL MG1 . . 5.500 4.646 3.800 5.342 . 0 0 "[ . 1 . 2]" 1
271 1 28 ASN H 1 48 VAL MG1 . . 4.520 4.486 4.291 4.576 0.056 7 0 "[ . 1 . 2]" 1
272 1 48 VAL H 1 48 VAL MG2 . . 4.050 2.484 2.349 2.581 . 0 0 "[ . 1 . 2]" 1
273 1 26 ARG H 1 48 VAL MG2 . . 5.500 4.686 4.194 5.028 . 0 0 "[ . 1 . 2]" 1
274 1 21 ARG HA 1 24 LEU HB2 . . 4.680 2.085 1.862 2.491 . 0 0 "[ . 1 . 2]" 1
275 1 49 LYS HB3 1 50 ARG H . . 4.500 3.899 3.764 4.104 . 0 0 "[ . 1 . 2]" 1
276 1 21 ARG QG 1 24 LEU MD1 . . 5.500 2.171 1.864 2.665 . 0 0 "[ . 1 . 2]" 1
277 1 50 ARG HA 1 50 ARG HG2 . . 4.080 3.352 2.423 3.843 . 0 0 "[ . 1 . 2]" 1
278 1 50 ARG HA 1 50 ARG HG3 . . 4.080 3.301 2.512 3.809 . 0 0 "[ . 1 . 2]" 1
279 1 50 ARG H 1 50 ARG QD . . 5.500 4.143 3.742 4.895 . 0 0 "[ . 1 . 2]" 1
280 1 51 ARG HA 1 52 ARG H . . 2.920 2.324 2.162 2.542 . 0 0 "[ . 1 . 2]" 1
281 1 52 ARG HA 1 52 ARG HD3 . . 5.500 4.588 4.474 4.963 . 0 0 "[ . 1 . 2]" 1
282 1 48 VAL H 1 52 ARG QB . . 4.820 3.928 3.699 4.084 . 0 0 "[ . 1 . 2]" 1
283 1 52 ARG QB 1 53 ILE H . . 5.250 3.803 3.689 3.906 . 0 0 "[ . 1 . 2]" 1
284 1 52 ARG H 1 52 ARG HG3 . . 5.500 4.620 4.551 4.680 . 0 0 "[ . 1 . 2]" 1
285 1 52 ARG HG3 1 53 ILE H . . 5.420 3.700 3.376 4.097 . 0 0 "[ . 1 . 2]" 1
286 1 52 ARG H 1 52 ARG HG2 . . 4.360 4.356 4.246 4.417 0.057 14 0 "[ . 1 . 2]" 1
287 1 16 SER QB 1 53 ILE MG . . 4.880 2.918 2.240 3.381 . 0 0 "[ . 1 . 2]" 1
288 1 19 ILE HG12 1 24 LEU MD2 . . 5.500 3.333 2.075 3.676 . 0 0 "[ . 1 . 2]" 1
289 1 19 ILE HG13 1 24 LEU MD2 . . 5.500 4.273 3.104 4.514 . 0 0 "[ . 1 . 2]" 1
290 1 19 ILE MG 1 62 VAL HA . . 4.960 3.760 3.530 3.897 . 0 0 "[ . 1 . 2]" 1
291 1 16 SER QB 1 19 ILE MD . . 5.260 3.739 3.329 4.393 . 0 0 "[ . 1 . 2]" 1
292 1 19 ILE HB 1 20 SER H . . 3.810 3.882 3.862 3.902 0.092 11 0 "[ . 1 . 2]" 1
293 1 19 ILE MG 1 59 ASN HD22 . . 5.200 2.768 1.761 4.238 . 0 0 "[ . 1 . 2]" 1
294 1 19 ILE HG13 1 20 SER H . . 4.240 2.416 1.985 2.512 . 0 0 "[ . 1 . 2]" 1
295 1 53 ILE HA 1 54 CYS H . . 3.040 2.215 2.101 2.323 . 0 0 "[ . 1 . 2]" 1
296 1 53 ILE MG 1 54 CYS H . . 3.430 2.299 2.040 2.461 . 0 0 "[ . 1 . 2]" 1
297 1 53 ILE H 1 53 ILE MD . . 5.390 2.941 2.142 4.186 . 0 0 "[ . 1 . 2]" 1
298 1 43 ALA MB 1 54 CYS HA . . 5.050 4.106 3.829 4.490 . 0 0 "[ . 1 . 2]" 1
299 1 45 ILE MG 1 54 CYS HA . . 4.690 4.305 4.032 4.602 . 0 0 "[ . 1 . 2]" 1
300 1 15 VAL HA 1 54 CYS HA . . 5.220 4.505 4.299 4.583 . 0 0 "[ . 1 . 2]" 1
301 1 43 ALA MB 1 54 CYS HB2 . . 5.180 4.078 3.371 4.602 . 0 0 "[ . 1 . 2]" 1
302 1 15 VAL HA 1 54 CYS HB3 . . 4.740 3.119 2.819 3.328 . 0 0 "[ . 1 . 2]" 1
303 1 43 ALA MB 1 54 CYS HB3 . . 4.690 2.659 1.991 3.181 . 0 0 "[ . 1 . 2]" 1
304 1 15 VAL MG1 1 54 CYS HB3 . . 4.670 2.201 1.955 2.757 . 0 0 "[ . 1 . 2]" 1
305 1 54 CYS H 1 54 CYS HB3 . . 3.860 3.711 3.618 3.818 . 0 0 "[ . 1 . 2]" 1
306 1 54 CYS HB3 1 55 VAL H . . 4.530 3.238 2.810 3.497 . 0 0 "[ . 1 . 2]" 1
307 1 16 SER QB 1 55 VAL MG1 . . 5.130 3.193 1.907 4.940 . 0 0 "[ . 1 . 2]" 1
308 1 16 SER QB 1 55 VAL MG2 . . 5.130 3.230 2.223 4.992 . 0 0 "[ . 1 . 2]" 1
309 1 19 ILE HB 1 55 VAL MG1 . . 4.380 2.692 2.000 4.267 . 0 0 "[ . 1 . 2]" 1
310 1 19 ILE HB 1 55 VAL MG2 . . 4.380 2.928 2.053 4.395 0.015 16 0 "[ . 1 . 2]" 1
311 1 19 ILE HB 1 55 VAL HB . . 5.000 4.152 3.121 5.008 0.008 20 0 "[ . 1 . 2]" 1
312 1 55 VAL HB 1 56 SER H . . 4.470 3.294 2.160 3.983 . 0 0 "[ . 1 . 2]" 1
313 1 55 VAL H 1 55 VAL MG1 . . 4.670 3.384 2.249 3.932 . 0 0 "[ . 1 . 2]" 1
314 1 54 CYS HA 1 55 VAL MG1 . . 5.500 4.647 3.474 5.514 0.014 10 0 "[ . 1 . 2]" 1
315 1 54 CYS HA 1 55 VAL MG2 . . 5.500 3.814 3.365 5.392 . 0 0 "[ . 1 . 2]" 1
316 1 55 VAL MG2 1 56 SER H . . 4.770 3.428 1.792 3.984 . 0 0 "[ . 1 . 2]" 1
317 1 44 VAL H 1 55 VAL MG2 . . 5.280 4.532 3.211 5.134 . 0 0 "[ . 1 . 2]" 1
318 1 44 VAL H 1 55 VAL MG1 . . 5.280 4.680 3.382 5.298 0.018 16 0 "[ . 1 . 2]" 1
319 1 32 ILE MG 1 57 PRO QD . . 5.430 4.758 3.914 5.388 . 0 0 "[ . 1 . 2]" 1
320 1 32 ILE MG 1 57 PRO HB2 . . 4.670 4.337 3.591 4.679 0.009 15 0 "[ . 1 . 2]" 1
321 1 57 PRO QD 1 58 HIS H . . 3.880 2.762 2.413 2.908 . 0 0 "[ . 1 . 2]" 1
322 1 44 VAL H 1 57 PRO QD . . 4.200 2.949 2.670 3.239 . 0 0 "[ . 1 . 2]" 1
323 1 58 HIS H 1 58 HIS HB2 . . 3.480 2.497 2.428 2.549 . 0 0 "[ . 1 . 2]" 1
324 1 58 HIS HA 1 59 ASN H . . 3.530 3.249 3.106 3.380 . 0 0 "[ . 1 . 2]" 1
325 1 60 HIS HA 1 63 LYS QE . . 5.110 3.704 1.898 5.167 0.057 13 0 "[ . 1 . 2]" 1
326 1 60 HIS HA 1 63 LYS QG . . 4.400 3.045 2.270 3.837 . 0 0 "[ . 1 . 2]" 1
327 1 61 THR HA 1 64 GLN QB . . 4.500 2.699 2.484 3.235 . 0 0 "[ . 1 . 2]" 1
328 1 19 ILE MG 1 61 THR HB . . 4.650 2.914 2.568 3.128 . 0 0 "[ . 1 . 2]" 1
329 1 21 ARG QD 1 61 THR MG . . 4.370 3.183 2.819 3.377 . 0 0 "[ . 1 . 2]" 1
330 1 61 THR HB 1 62 VAL H . . 3.400 2.497 2.386 2.650 . 0 0 "[ . 1 . 2]" 1
331 1 61 THR H 1 61 THR MG . . 3.990 3.701 3.646 3.738 . 0 0 "[ . 1 . 2]" 1
332 1 61 THR MG 1 65 TRP H . . 5.500 4.000 3.804 4.152 . 0 0 "[ . 1 . 2]" 1
333 1 61 THR MG 1 62 VAL H . . 5.070 3.589 3.501 3.774 . 0 0 "[ . 1 . 2]" 1
334 1 24 LEU MD1 1 62 VAL HA . . 4.440 2.218 1.930 2.447 . 0 0 "[ . 1 . 2]" 1
335 1 24 LEU MD2 1 62 VAL HA . . 5.500 3.322 3.191 3.451 . 0 0 "[ . 1 . 2]" 1
336 1 62 VAL HA 1 65 TRP HB2 . . 4.680 3.620 3.426 3.925 . 0 0 "[ . 1 . 2]" 1
337 1 62 VAL HA 1 65 TRP HB3 . . 4.290 2.389 2.253 2.571 . 0 0 "[ . 1 . 2]" 1
338 1 19 ILE MG 1 62 VAL HB . . 4.820 4.211 4.058 4.504 . 0 0 "[ . 1 . 2]" 1
339 1 61 THR HB 1 62 VAL HA . . 5.500 4.178 4.029 4.276 . 0 0 "[ . 1 . 2]" 1
340 1 61 THR HB 1 62 VAL HB . . 4.620 4.648 4.621 4.679 0.059 14 0 "[ . 1 . 2]" 1
341 1 62 VAL HB 1 65 TRP HE3 . . 5.500 4.741 4.548 4.976 . 0 0 "[ . 1 . 2]" 1
342 1 62 VAL HB 1 63 LYS H . . 3.590 2.524 2.378 2.756 . 0 0 "[ . 1 . 2]" 1
343 1 62 VAL H 1 62 VAL HB . . 3.280 2.344 2.287 2.384 . 0 0 "[ . 1 . 2]" 1
344 1 57 PRO HA 1 62 VAL MG1 . . 4.220 3.179 2.817 3.502 . 0 0 "[ . 1 . 2]" 1
345 1 62 VAL MG1 1 65 TRP HZ3 . . 4.080 2.624 2.348 2.955 . 0 0 "[ . 1 . 2]" 1
346 1 62 VAL MG1 1 65 TRP HE3 . . 3.770 2.395 2.201 2.681 . 0 0 "[ . 1 . 2]" 1
347 1 64 GLN HE21 1 68 VAL MG2 . . 5.500 2.693 2.059 3.195 . 0 0 "[ . 1 . 2]" 1
348 1 63 LYS QE 1 84 LYS QG . . 5.090 3.887 2.455 4.597 . 0 0 "[ . 1 . 2]" 1
349 1 63 LYS QG 1 84 LYS QG . . 3.340 3.010 2.037 3.489 0.149 1 0 "[ . 1 . 2]" 1
350 1 63 LYS QD 1 84 LYS QG . . 3.100 2.670 1.878 3.180 0.080 12 0 "[ . 1 . 2]" 1
351 1 63 LYS HA 1 84 LYS QG . . 3.770 3.552 2.848 3.885 0.115 16 0 "[ . 1 . 2]" 1
352 1 63 LYS QB 1 84 LYS QG . . 4.260 2.424 1.692 3.252 . 0 0 "[ . 1 . 2]" 1
353 1 63 LYS HA 1 66 MET H . . 4.140 3.525 3.138 3.741 . 0 0 "[ . 1 . 2]" 1
354 1 63 LYS H 1 63 LYS QG . . 3.400 2.193 2.020 2.426 . 0 0 "[ . 1 . 2]" 1
355 1 64 GLN HA 1 67 LYS QB . . 3.990 3.012 2.492 4.046 0.056 5 0 "[ . 1 . 2]" 1
356 1 64 GLN HA 1 67 LYS H . . 4.820 3.514 3.134 3.846 . 0 0 "[ . 1 . 2]" 1
357 1 64 GLN H 1 64 GLN HG2 . . 4.540 4.266 2.630 4.577 0.037 17 0 "[ . 1 . 2]" 1
358 1 64 GLN H 1 64 GLN HG3 . . 4.540 4.398 3.856 4.568 0.028 6 0 "[ . 1 . 2]" 1
359 1 24 LEU MD1 1 65 TRP HB3 . . 5.070 2.234 2.145 2.346 . 0 0 "[ . 1 . 2]" 1
360 1 24 LEU MD1 1 65 TRP HB2 . . 4.790 2.214 2.058 2.348 . 0 0 "[ . 1 . 2]" 1
361 1 21 ARG HA 1 65 TRP HB2 . . 4.970 3.631 3.401 3.927 . 0 0 "[ . 1 . 2]" 1
362 1 64 GLN QB 1 65 TRP HA . . 4.370 4.080 3.776 4.327 . 0 0 "[ . 1 . 2]" 1
363 1 65 TRP HA 1 65 TRP HD1 . . 3.480 3.037 2.828 3.194 . 0 0 "[ . 1 . 2]" 1
364 1 65 TRP HB3 1 65 TRP HE3 . . 3.540 2.337 2.272 2.407 . 0 0 "[ . 1 . 2]" 1
365 1 65 TRP HB3 1 66 MET H . . 3.860 2.547 2.418 2.689 . 0 0 "[ . 1 . 2]" 1
366 1 65 TRP HA 1 65 TRP HE3 . . 5.020 4.858 4.764 4.938 . 0 0 "[ . 1 . 2]" 1
367 1 65 TRP H 1 65 TRP HB2 . . 3.340 2.653 2.563 2.752 . 0 0 "[ . 1 . 2]" 1
368 1 66 MET HA 1 69 GLN HB2 . . 4.630 2.484 2.097 3.097 . 0 0 "[ . 1 . 2]" 1
369 1 63 LYS HA 1 66 MET HB2 . . 5.070 2.885 2.394 4.982 . 0 0 "[ . 1 . 2]" 1
370 1 63 LYS HA 1 66 MET HB3 . . 5.280 4.357 3.888 4.899 . 0 0 "[ . 1 . 2]" 1
371 1 63 LYS HA 1 66 MET HG3 . . 5.500 3.184 2.186 4.202 . 0 0 "[ . 1 . 2]" 1
372 1 65 TRP HE3 1 66 MET HA . . 4.820 3.831 3.480 4.089 . 0 0 "[ . 1 . 2]" 1
373 1 65 TRP HE3 1 66 MET HB2 . . 4.590 4.350 4.126 4.553 . 0 0 "[ . 1 . 2]" 1
374 1 66 MET H 1 66 MET HB2 . . 3.570 2.584 2.438 3.615 0.045 20 0 "[ . 1 . 2]" 1
375 1 65 TRP HE3 1 66 MET HB3 . . 4.950 4.839 2.554 5.035 0.085 5 0 "[ . 1 . 2]" 1
376 1 66 MET H 1 66 MET HB3 . . 3.810 3.599 2.663 3.724 . 0 0 "[ . 1 . 2]" 1
377 1 65 TRP HE3 1 66 MET HG2 . . 3.940 2.821 2.163 3.959 0.019 20 0 "[ . 1 . 2]" 1
378 1 66 MET H 1 66 MET HG2 . . 4.000 2.974 2.196 3.718 . 0 0 "[ . 1 . 2]" 1
379 1 65 TRP HE3 1 66 MET HG3 . . 3.940 3.030 2.031 3.990 0.050 15 0 "[ . 1 . 2]" 1
380 1 66 MET H 1 66 MET HG3 . . 4.000 2.930 2.091 3.694 . 0 0 "[ . 1 . 2]" 1
381 1 67 LYS H 1 67 LYS QB . . 3.100 2.213 2.024 2.633 . 0 0 "[ . 1 . 2]" 1
382 1 67 LYS QB 1 68 VAL H . . 3.770 2.622 2.199 3.520 . 0 0 "[ . 1 . 2]" 1
383 1 67 LYS H 1 67 LYS HG2 . . 4.290 3.946 2.297 4.373 0.083 9 0 "[ . 1 . 2]" 1
384 1 65 TRP HA 1 68 VAL HB . . 4.470 2.998 2.692 3.314 . 0 0 "[ . 1 . 2]" 1
385 1 68 VAL H 1 68 VAL HB . . 3.410 2.538 2.416 2.618 . 0 0 "[ . 1 . 2]" 1
386 1 68 VAL H 1 68 VAL MG1 . . 4.240 3.774 3.733 3.803 . 0 0 "[ . 1 . 2]" 1
387 1 68 VAL MG1 1 69 GLN H . . 5.250 3.452 3.268 3.556 . 0 0 "[ . 1 . 2]" 1
388 1 64 GLN HE21 1 68 VAL MG1 . . 5.500 5.128 4.596 5.590 0.090 6 0 "[ . 1 . 2]" 1
389 1 69 GLN HA 1 72 LYS QE . . 5.500 3.008 1.815 4.051 . 0 0 "[ . 1 . 2]" 1
390 1 69 GLN HB3 1 79 VAL MG2 . . 4.940 2.095 1.921 2.314 . 0 0 "[ . 1 . 2]" 1
391 1 66 MET HA 1 69 GLN HG2 . . 5.500 3.887 2.958 4.536 . 0 0 "[ . 1 . 2]" 1
392 1 66 MET HA 1 69 GLN HG3 . . 5.500 3.974 3.320 4.596 . 0 0 "[ . 1 . 2]" 1
393 1 66 MET HA 1 69 GLN HB3 . . 5.500 4.149 3.786 4.769 . 0 0 "[ . 1 . 2]" 1
394 1 69 GLN HG3 1 79 VAL MG2 . . 5.500 3.819 3.475 4.114 . 0 0 "[ . 1 . 2]" 1
395 1 69 GLN HA 1 71 ALA H . . 5.500 3.684 3.430 3.842 . 0 0 "[ . 1 . 2]" 1
396 1 69 GLN HB3 1 70 ALA H . . 4.460 3.831 3.708 4.006 . 0 0 "[ . 1 . 2]" 1
397 1 69 GLN HB2 1 70 ALA H . . 5.480 3.023 2.918 3.126 . 0 0 "[ . 1 . 2]" 1
398 1 69 GLN H 1 69 GLN HG2 . . 4.970 2.417 2.125 2.611 . 0 0 "[ . 1 . 2]" 1
399 1 65 TRP HH2 1 69 GLN HG3 . . 5.500 4.680 4.526 4.929 . 0 0 "[ . 1 . 2]" 1
400 1 70 ALA HA 1 79 VAL MG2 . . 4.700 2.041 1.874 2.588 . 0 0 "[ . 1 . 2]" 1
401 1 70 ALA MB 1 79 VAL MG2 . . 4.140 3.303 2.567 3.868 . 0 0 "[ . 1 . 2]" 1
402 1 70 ALA MB 1 71 ALA H . . 4.380 2.923 2.865 2.988 . 0 0 "[ . 1 . 2]" 1
403 1 70 ALA H 1 70 ALA MB . . 3.200 2.242 2.218 2.281 . 0 0 "[ . 1 . 2]" 1
404 1 69 GLN H 1 70 ALA MB . . 5.500 4.273 4.187 4.352 . 0 0 "[ . 1 . 2]" 1
405 1 70 ALA MB 1 71 ALA HA . . 5.500 3.933 3.864 4.026 . 0 0 "[ . 1 . 2]" 1
406 1 68 VAL HA 1 71 ALA MB . . 4.390 3.411 2.838 4.009 . 0 0 "[ . 1 . 2]" 1
407 1 70 ALA HA 1 72 LYS QB . . 5.010 4.134 3.806 4.950 . 0 0 "[ . 1 . 2]" 1
408 1 69 GLN HA 1 72 LYS QB . . 5.450 4.364 2.968 5.247 . 0 0 "[ . 1 . 2]" 1
409 1 69 GLN HA 1 72 LYS QD . . 4.850 2.486 1.785 3.932 . 0 0 "[ . 1 . 2]" 1
410 1 70 ALA HA 1 72 LYS QD . . 5.500 4.763 4.025 5.677 0.177 5 0 "[ . 1 . 2]" 1
411 1 72 LYS H 1 72 LYS QB . . 3.590 2.309 2.039 2.709 . 0 0 "[ . 1 . 2]" 1
412 1 71 ALA H 1 72 LYS QD . . 5.330 3.849 3.326 4.636 . 0 0 "[ . 1 . 2]" 1
413 1 72 LYS QG 1 77 GLY H . . 4.970 5.055 4.983 5.139 0.169 5 0 "[ . 1 . 2]" 1
414 1 66 MET H 1 67 LYS QB . . 5.500 4.564 4.221 5.278 . 0 0 "[ . 1 . 2]" 1
415 1 76 LYS QG 1 77 GLY H . . 5.440 4.393 3.730 4.980 . 0 0 "[ . 1 . 2]" 1
416 1 77 GLY H 1 78 ASN HB3 . . 5.500 4.965 4.591 5.254 . 0 0 "[ . 1 . 2]" 1
417 1 77 GLY H 1 78 ASN HB2 . . 5.500 5.506 5.306 5.608 0.108 9 0 "[ . 1 . 2]" 1
418 1 78 ASN HA 1 79 VAL HA . . 5.500 4.410 4.356 4.467 . 0 0 "[ . 1 . 2]" 1
419 1 78 ASN H 1 79 VAL HA . . 5.500 4.758 4.210 4.982 . 0 0 "[ . 1 . 2]" 1
420 1 65 TRP HH2 1 79 VAL MG2 . . 5.500 5.089 4.775 5.505 0.005 5 0 "[ . 1 . 2]" 1
421 1 65 TRP HZ2 1 79 VAL MG2 . . 5.500 4.842 4.640 5.134 . 0 0 "[ . 1 . 2]" 1
422 1 78 ASN H 1 79 VAL MG2 . . 5.140 2.760 2.209 3.061 . 0 0 "[ . 1 . 2]" 1
423 1 77 GLY H 1 79 VAL MG2 . . 5.500 2.792 2.542 3.056 . 0 0 "[ . 1 . 2]" 1
424 1 65 TRP HH2 1 79 VAL MG1 . . 5.500 5.217 4.992 5.467 . 0 0 "[ . 1 . 2]" 1
425 1 65 TRP HZ2 1 79 VAL MG1 . . 5.500 5.650 5.604 5.752 0.252 5 0 "[ . 1 . 2]" 1
426 1 78 ASN H 1 79 VAL MG1 . . 5.460 5.268 4.756 5.487 0.027 2 0 "[ . 1 . 2]" 1
427 1 77 GLY H 1 79 VAL MG1 . . 5.390 5.355 4.996 5.529 0.139 10 0 "[ . 1 . 2]" 1
428 1 81 HIS HB3 1 81 HIS HD2 . . 3.590 3.611 3.516 3.680 0.090 8 0 "[ . 1 . 2]" 1
429 1 67 LYS H 1 67 LYS HG3 . . 4.290 3.823 2.148 4.365 0.075 12 0 "[ . 1 . 2]" 1
430 1 91 SER QB 1 92 ASN H . . 5.440 3.390 2.223 3.994 . 0 0 "[ . 1 . 2]" 1
431 1 30 CYS HA 1 46 LEU HA . . 5.000 2.730 2.520 2.895 . 0 0 "[ . 1 . 2]" 1
432 1 30 CYS HA 1 31 ARG QB . . 5.500 4.082 3.824 4.226 . 0 0 "[ . 1 . 2]" 1
433 1 27 VAL MG1 1 30 CYS HA . . 5.500 3.522 3.367 3.773 . 0 0 "[ . 1 . 2]" 1
434 1 30 CYS HA 1 47 HIS H . . 4.480 3.652 3.382 3.816 . 0 0 "[ . 1 . 2]" 1
435 1 44 VAL H 1 55 VAL HB . . 5.460 4.709 4.067 5.488 0.028 7 0 "[ . 1 . 2]" 1
436 1 30 CYS HB3 1 80 CYS HA . . 5.500 4.333 3.796 4.641 . 0 0 "[ . 1 . 2]" 1
437 1 30 CYS HB3 1 65 TRP HH2 . . 5.500 4.067 3.471 4.510 . 0 0 "[ . 1 . 2]" 1
438 1 27 VAL MG1 1 30 CYS HB2 . . 5.500 3.017 2.662 3.402 . 0 0 "[ . 1 . 2]" 1
439 1 33 GLN H 1 33 GLN HG3 . . 5.000 4.485 4.402 4.581 . 0 0 "[ . 1 . 2]" 1
440 1 64 GLN QB 1 65 TRP HB3 . . 5.500 4.434 4.247 4.854 . 0 0 "[ . 1 . 2]" 1
441 1 62 VAL MG1 1 65 TRP HB3 . . 5.500 3.847 3.621 4.112 . 0 0 "[ . 1 . 2]" 1
442 1 62 VAL MG1 1 66 MET HA . . 5.500 5.077 4.647 5.487 . 0 0 "[ . 1 . 2]" 1
443 1 66 MET HA 1 79 VAL MG2 . . 5.380 3.960 3.242 4.573 . 0 0 "[ . 1 . 2]" 1
444 1 66 MET HA 1 69 GLN H . . 4.550 3.349 2.883 3.814 . 0 0 "[ . 1 . 2]" 1
445 1 63 LYS HA 1 66 MET HG2 . . 5.500 4.133 2.845 5.499 . 0 0 "[ . 1 . 2]" 1
446 1 65 TRP HZ3 1 66 MET HG3 . . 4.580 3.594 2.591 4.642 0.062 20 0 "[ . 1 . 2]" 1
447 1 16 SER H 1 54 CYS HB2 . . 4.660 3.931 3.598 4.338 . 0 0 "[ . 1 . 2]" 1
448 1 27 VAL HB 1 65 TRP HH2 . . 4.320 3.499 3.199 3.774 . 0 0 "[ . 1 . 2]" 1
449 1 27 VAL MG2 1 65 TRP HH2 . . 5.500 3.704 3.327 4.064 . 0 0 "[ . 1 . 2]" 1
450 1 47 HIS HA 1 47 HIS HE1 . . 5.500 5.446 5.311 5.533 0.033 16 0 "[ . 1 . 2]" 1
451 1 32 ILE H 1 32 ILE HB . . 3.280 2.516 2.478 2.578 . 0 0 "[ . 1 . 2]" 1
452 1 59 ASN HB2 1 62 VAL HB . . 5.170 4.377 3.853 4.713 . 0 0 "[ . 1 . 2]" 1
453 1 59 ASN HB2 1 62 VAL MG2 . . 5.250 3.765 3.388 4.136 . 0 0 "[ . 1 . 2]" 1
454 1 59 ASN HB3 1 62 VAL HB . . 5.170 2.643 2.133 3.016 . 0 0 "[ . 1 . 2]" 1
455 1 59 ASN HB3 1 62 VAL MG2 . . 5.250 2.532 2.244 2.843 . 0 0 "[ . 1 . 2]" 1
456 1 56 SER HB3 1 59 ASN HB3 . . 5.500 5.298 4.937 5.513 0.013 18 0 "[ . 1 . 2]" 1
457 1 56 SER HB3 1 59 ASN HB2 . . 5.500 4.431 3.688 4.987 . 0 0 "[ . 1 . 2]" 1
458 1 59 ASN HB2 1 62 VAL H . . 5.500 4.479 4.307 4.684 . 0 0 "[ . 1 . 2]" 1
459 1 59 ASN HB3 1 62 VAL H . . 5.500 3.086 2.871 3.407 . 0 0 "[ . 1 . 2]" 1
460 1 32 ILE HG12 1 80 CYS HB3 . . 5.500 2.628 1.867 3.923 . 0 0 "[ . 1 . 2]" 1
461 1 32 ILE HG13 1 80 CYS HB3 . . 5.500 2.741 2.089 5.184 . 0 0 "[ . 1 . 2]" 1
462 1 24 LEU MD2 1 65 TRP HE1 . . 5.260 4.466 4.099 4.836 . 0 0 "[ . 1 . 2]" 1
463 1 29 MET HB2 1 47 HIS H . . 5.500 4.206 3.236 4.438 . 0 0 "[ . 1 . 2]" 1
464 1 29 MET HB2 1 47 HIS HD2 . . 5.500 4.366 2.938 4.842 . 0 0 "[ . 1 . 2]" 1
465 1 32 ILE HB 1 33 GLN H . . 5.500 4.301 4.178 4.399 . 0 0 "[ . 1 . 2]" 1
466 1 35 ALA HA 1 41 LEU H . . 4.430 3.005 2.372 3.415 . 0 0 "[ . 1 . 2]" 1
467 1 11 CYS HA 1 39 CYS HB2 . . 5.500 3.961 2.780 4.733 . 0 0 "[ . 1 . 2]" 1
468 1 11 CYS HA 1 39 CYS HB3 . . 5.500 4.900 3.996 5.516 0.016 5 0 "[ . 1 . 2]" 1
469 1 49 LYS H 1 49 LYS QD . . 4.590 3.635 3.105 4.270 . 0 0 "[ . 1 . 2]" 1
470 1 53 ILE MG 1 55 VAL H . . 5.500 4.121 3.851 4.403 . 0 0 "[ . 1 . 2]" 1
471 1 11 CYS HB2 1 12 CYS H . . 5.430 3.825 3.518 4.162 . 0 0 "[ . 1 . 2]" 1
472 1 11 CYS HB3 1 12 CYS H . . 5.430 2.963 2.254 4.254 . 0 0 "[ . 1 . 2]" 1
473 1 11 CYS HB2 1 13 THR MG . . 5.500 4.238 2.555 5.580 0.080 8 0 "[ . 1 . 2]" 1
474 1 11 CYS HB3 1 13 THR MG . . 5.500 3.856 2.418 5.280 . 0 0 "[ . 1 . 2]" 1
475 1 56 SER HB3 1 58 HIS HB2 . . 5.500 3.116 2.767 3.646 . 0 0 "[ . 1 . 2]" 1
476 1 56 SER H 1 56 SER HB3 . . 3.410 3.465 3.434 3.504 0.094 9 0 "[ . 1 . 2]" 1
477 1 58 HIS HB2 1 59 ASN H . . 5.500 3.603 3.307 3.821 . 0 0 "[ . 1 . 2]" 1
478 1 32 ILE MD 1 80 CYS HB3 . . 4.730 2.659 2.112 4.232 . 0 0 "[ . 1 . 2]" 1
479 1 32 ILE HG12 1 80 CYS HB2 . . 5.500 3.247 1.944 3.922 . 0 0 "[ . 1 . 2]" 1
480 1 32 ILE MD 1 80 CYS HB2 . . 4.500 2.538 2.327 3.308 . 0 0 "[ . 1 . 2]" 1
481 1 32 ILE HG13 1 80 CYS HB2 . . 5.500 3.523 2.677 4.134 . 0 0 "[ . 1 . 2]" 1
482 1 81 HIS HB2 1 83 LYS H . . 5.500 4.867 3.935 5.606 0.106 3 0 "[ . 1 . 2]" 1
483 1 81 HIS HB3 1 83 LYS H . . 5.500 3.875 2.772 5.404 . 0 0 "[ . 1 . 2]" 1
484 1 3 ALA HA 1 7 ILE H . . 3.730 3.546 2.754 3.864 0.134 15 0 "[ . 1 . 2]" 1
485 1 12 CYS HB3 1 54 CYS HB2 . . 4.720 3.693 3.236 4.725 0.005 17 0 "[ . 1 . 2]" 1
486 1 15 VAL MG2 1 56 SER HA . . 4.540 3.510 2.890 4.542 0.002 17 0 "[ . 1 . 2]" 1
487 1 73 LYS HB2 1 73 LYS QE . . 5.110 3.396 1.923 4.484 . 0 0 "[ . 1 . 2]" 1
488 1 84 LYS QD 1 84 LYS QG . . 2.400 2.057 1.992 2.107 . 0 0 "[ . 1 . 2]" 1
489 1 64 GLN QB 1 65 TRP HB2 . . 5.500 4.305 4.038 4.728 . 0 0 "[ . 1 . 2]" 1
490 1 56 SER HB2 1 59 ASN HB2 . . 5.500 3.019 2.314 3.518 . 0 0 "[ . 1 . 2]" 1
491 1 56 SER HB2 1 59 ASN HB3 . . 5.500 4.080 3.733 4.330 . 0 0 "[ . 1 . 2]" 1
492 1 26 ARG H 1 27 VAL HA . . 5.110 4.756 4.657 4.868 . 0 0 "[ . 1 . 2]" 1
493 1 32 ILE HA 1 44 VAL HA . . 4.420 2.620 2.279 2.768 . 0 0 "[ . 1 . 2]" 1
494 1 34 ARG HA 1 42 ALA HA . . 5.250 2.543 2.207 2.913 . 0 0 "[ . 1 . 2]" 1
495 1 36 ASP HB2 1 37 GLY H . . 4.190 3.606 3.315 3.825 . 0 0 "[ . 1 . 2]" 1
496 1 34 ARG HB2 1 36 ASP HB2 . . 5.500 3.851 3.206 4.683 . 0 0 "[ . 1 . 2]" 1
497 1 34 ARG HB2 1 36 ASP HB3 . . 5.500 3.797 2.975 4.523 . 0 0 "[ . 1 . 2]" 1
498 1 15 VAL HB 1 16 SER QB . . 5.500 4.388 4.136 4.767 . 0 0 "[ . 1 . 2]" 1
499 1 56 SER HB2 1 58 HIS HB2 . . 5.500 3.964 3.421 4.608 . 0 0 "[ . 1 . 2]" 1
500 1 23 LEU HA 1 26 ARG H . . 4.050 3.735 3.519 3.884 . 0 0 "[ . 1 . 2]" 1
501 1 26 ARG H 1 27 VAL H . . 3.170 2.282 2.171 2.388 . 0 0 "[ . 1 . 2]" 1
502 1 27 VAL H 1 28 ASN H . . 4.870 4.535 4.474 4.601 . 0 0 "[ . 1 . 2]" 1
503 1 54 CYS H 1 54 CYS HB2 . . 3.520 2.537 2.381 2.691 . 0 0 "[ . 1 . 2]" 1
504 1 2 GLU HA 1 3 ALA H . . 3.200 2.408 2.092 3.333 0.133 13 0 "[ . 1 . 2]" 1
505 1 41 LEU HA 1 42 ALA H . . 3.000 2.232 2.118 2.326 . 0 0 "[ . 1 . 2]" 1
506 1 41 LEU H 1 42 ALA H . . 4.740 4.138 3.990 4.298 . 0 0 "[ . 1 . 2]" 1
507 1 14 GLU HA 1 15 VAL H . . 3.060 2.297 2.221 2.393 . 0 0 "[ . 1 . 2]" 1
508 1 2 GLU HB2 1 3 ALA H . . 5.190 3.956 2.361 4.499 . 0 0 "[ . 1 . 2]" 1
509 1 3 ALA H 1 3 ALA MB . . 3.550 2.646 2.228 2.948 . 0 0 "[ . 1 . 2]" 1
510 1 2 GLU QG 1 3 ALA H . . 5.320 3.830 2.288 4.828 . 0 0 "[ . 1 . 2]" 1
511 1 4 ILE HB 1 5 LEU H . . 4.190 3.013 2.041 4.193 0.003 19 0 "[ . 1 . 2]" 1
512 1 4 ILE MG 1 5 LEU H . . 3.720 2.908 1.988 3.853 0.133 9 0 "[ . 1 . 2]" 1
513 1 7 ILE H 1 7 ILE HG12 . . 3.500 2.920 2.122 3.523 0.023 18 0 "[ . 1 . 2]" 1
514 1 7 ILE H 1 7 ILE HG13 . . 3.500 3.044 2.856 3.583 0.083 6 0 "[ . 1 . 2]" 1
515 1 7 ILE MG 1 8 ALA H . . 4.520 3.474 2.811 3.962 . 0 0 "[ . 1 . 2]" 1
516 1 12 CYS H 1 33 GLN HE21 . . 4.500 3.791 3.269 4.151 . 0 0 "[ . 1 . 2]" 1
517 1 11 CYS H 1 12 CYS H . . 5.070 4.378 4.175 4.489 . 0 0 "[ . 1 . 2]" 1
518 1 11 CYS HA 1 12 CYS H . . 3.420 2.181 2.063 2.389 . 0 0 "[ . 1 . 2]" 1
519 1 14 GLU H 1 15 VAL H . . 4.680 4.325 4.269 4.401 . 0 0 "[ . 1 . 2]" 1
520 1 13 THR H 1 14 GLU H . . 4.200 2.311 2.075 2.727 . 0 0 "[ . 1 . 2]" 1
521 1 12 CYS HA 1 14 GLU H . . 4.480 3.298 2.881 3.952 . 0 0 "[ . 1 . 2]" 1
522 1 15 VAL H 1 16 SER H . . 4.630 4.309 4.154 4.386 . 0 0 "[ . 1 . 2]" 1
523 1 16 SER H 1 55 VAL HA . . 4.080 2.376 2.072 2.518 . 0 0 "[ . 1 . 2]" 1
524 1 16 SER H 1 16 SER QB . . 3.490 2.325 2.193 2.458 . 0 0 "[ . 1 . 2]" 1
525 1 18 HIS HA 1 19 ILE H . . 3.510 2.314 2.120 2.416 . 0 0 "[ . 1 . 2]" 1
526 1 20 SER H 1 20 SER HB2 . . 3.550 2.489 2.410 2.549 . 0 0 "[ . 1 . 2]" 1
527 1 70 ALA H 1 71 ALA H . . 3.660 2.585 2.439 2.716 . 0 0 "[ . 1 . 2]" 1
528 1 20 SER HB3 1 21 ARG H . . 5.500 2.912 2.720 3.060 . 0 0 "[ . 1 . 2]" 1
529 1 12 CYS H 1 39 CYS HB2 . . 4.030 4.084 3.983 4.214 0.184 19 0 "[ . 1 . 2]" 1
530 1 12 CYS H 1 12 CYS HB2 . . 3.780 2.458 2.233 3.068 . 0 0 "[ . 1 . 2]" 1
531 1 12 CYS H 1 41 LEU QB . . 5.500 5.012 4.728 5.323 . 0 0 "[ . 1 . 2]" 1
532 1 12 CYS H 1 45 ILE MG . . 5.500 4.943 4.415 5.576 0.076 19 0 "[ . 1 . 2]" 1
533 1 12 CYS H 1 33 GLN HG2 . . 5.500 4.633 4.378 4.792 . 0 0 "[ . 1 . 2]" 1
534 1 12 CYS H 1 33 GLN HG3 . . 5.500 4.220 4.098 4.328 . 0 0 "[ . 1 . 2]" 1
535 1 12 CYS H 1 39 CYS HB3 . . 5.500 4.676 4.233 5.124 . 0 0 "[ . 1 . 2]" 1
536 1 12 CYS HB3 1 14 GLU H . . 4.280 3.714 3.387 4.222 . 0 0 "[ . 1 . 2]" 1
537 1 13 THR MG 1 14 GLU H . . 4.760 3.971 2.781 4.407 . 0 0 "[ . 1 . 2]" 1
538 1 12 CYS H 1 43 ALA MB . . 4.870 3.860 3.523 4.316 . 0 0 "[ . 1 . 2]" 1
539 1 14 GLU H 1 14 GLU HB2 . . 4.120 3.303 2.554 3.933 . 0 0 "[ . 1 . 2]" 1
540 1 14 GLU H 1 54 CYS HB2 . . 5.500 4.177 3.665 4.599 . 0 0 "[ . 1 . 2]" 1
541 1 14 GLU QG 1 15 VAL H . . 4.310 3.772 2.367 4.135 . 0 0 "[ . 1 . 2]" 1
542 1 15 VAL H 1 15 VAL HB . . 4.150 3.895 3.856 3.933 . 0 0 "[ . 1 . 2]" 1
543 1 19 ILE H 1 19 ILE HG12 . . 4.870 4.561 4.484 4.911 0.041 11 0 "[ . 1 . 2]" 1
544 1 19 ILE H 1 19 ILE HG13 . . 4.870 4.718 4.475 4.774 . 0 0 "[ . 1 . 2]" 1
545 1 19 ILE H 1 19 ILE MG . . 3.740 2.353 2.190 2.537 . 0 0 "[ . 1 . 2]" 1
546 1 19 ILE HG12 1 20 SER H . . 4.240 2.223 1.971 3.665 . 0 0 "[ . 1 . 2]" 1
547 1 16 SER H 1 54 CYS HB3 . . 4.960 4.641 4.386 4.835 . 0 0 "[ . 1 . 2]" 1
548 1 15 VAL HB 1 16 SER H . . 3.760 2.597 2.340 3.031 . 0 0 "[ . 1 . 2]" 1
549 1 15 VAL MG2 1 16 SER H . . 5.350 3.667 3.401 4.074 . 0 0 "[ . 1 . 2]" 1
550 1 68 VAL HB 1 70 ALA H . . 5.400 4.840 4.733 4.938 . 0 0 "[ . 1 . 2]" 1
551 1 70 ALA H 1 79 VAL MG2 . . 4.450 3.478 3.102 3.868 . 0 0 "[ . 1 . 2]" 1
552 1 20 SER HB2 1 22 ARG H . . 4.470 3.612 3.359 3.836 . 0 0 "[ . 1 . 2]" 1
553 1 20 SER H 1 23 LEU H . . 4.580 4.479 4.239 4.630 0.050 18 0 "[ . 1 . 2]" 1
554 1 22 ARG H 1 23 LEU H . . 3.650 2.842 2.673 2.957 . 0 0 "[ . 1 . 2]" 1
555 1 23 LEU H 1 24 LEU H . . 3.280 2.404 2.324 2.601 . 0 0 "[ . 1 . 2]" 1
556 1 20 SER HA 1 23 LEU H . . 5.500 5.098 4.797 5.343 . 0 0 "[ . 1 . 2]" 1
557 1 24 LEU H 1 26 ARG H . . 4.570 4.008 3.911 4.109 . 0 0 "[ . 1 . 2]" 1
558 1 22 ARG H 1 24 LEU H . . 5.260 4.035 3.904 4.164 . 0 0 "[ . 1 . 2]" 1
559 1 25 GLU H 1 26 ARG H . . 3.430 2.633 2.359 2.754 . 0 0 "[ . 1 . 2]" 1
560 1 23 LEU H 1 25 GLU H . . 4.360 4.138 3.873 4.358 . 0 0 "[ . 1 . 2]" 1
561 1 24 LEU H 1 25 GLU H . . 3.560 2.678 2.570 2.766 . 0 0 "[ . 1 . 2]" 1
562 1 21 ARG HA 1 25 GLU H . . 5.140 3.920 3.526 4.684 . 0 0 "[ . 1 . 2]" 1
563 1 22 ARG H 1 25 GLU H . . 5.500 4.865 4.747 5.222 . 0 0 "[ . 1 . 2]" 1
564 1 28 ASN H 1 29 MET H . . 3.340 2.089 2.022 2.167 . 0 0 "[ . 1 . 2]" 1
565 1 28 ASN H 1 47 HIS H . . 4.920 3.942 3.765 4.106 . 0 0 "[ . 1 . 2]" 1
566 1 29 MET H 1 47 HIS H . . 4.120 2.798 2.600 2.917 . 0 0 "[ . 1 . 2]" 1
567 1 29 MET H 1 48 VAL HA . . 5.330 4.538 4.404 4.681 . 0 0 "[ . 1 . 2]" 1
568 1 27 VAL HA 1 29 MET H . . 4.270 3.801 3.679 3.927 . 0 0 "[ . 1 . 2]" 1
569 1 28 ASN H 1 48 VAL HA . . 4.190 2.989 2.771 3.119 . 0 0 "[ . 1 . 2]" 1
570 1 27 VAL HA 1 28 ASN H . . 3.160 2.119 2.068 2.184 . 0 0 "[ . 1 . 2]" 1
571 1 27 VAL H 1 65 TRP HZ2 . . 4.300 3.996 3.752 4.237 . 0 0 "[ . 1 . 2]" 1
572 1 25 GLU H 1 27 VAL H . . 4.580 4.105 3.921 4.209 . 0 0 "[ . 1 . 2]" 1
573 1 33 GLN H 1 43 ALA H . . 4.120 3.115 2.895 3.432 . 0 0 "[ . 1 . 2]" 1
574 1 32 ILE H 1 33 GLN H . . 5.000 4.259 4.174 4.351 . 0 0 "[ . 1 . 2]" 1
575 1 21 ARG QB 1 22 ARG H . . 3.980 3.016 2.883 3.156 . 0 0 "[ . 1 . 2]" 1
576 1 22 ARG H 1 22 ARG QB . . 3.400 2.420 2.182 2.554 . 0 0 "[ . 1 . 2]" 1
577 1 22 ARG H 1 22 ARG QG . . 4.110 2.885 2.140 4.062 . 0 0 "[ . 1 . 2]" 1
578 1 23 LEU H 1 23 LEU MD1 . . 5.500 4.214 4.094 4.278 . 0 0 "[ . 1 . 2]" 1
579 1 19 ILE MD 1 23 LEU H . . 4.970 4.572 4.180 5.010 0.040 12 0 "[ . 1 . 2]" 1
580 1 21 ARG QB 1 24 LEU H . . 5.320 4.556 4.292 4.910 . 0 0 "[ . 1 . 2]" 1
581 1 24 LEU H 1 24 LEU HG . . 3.350 2.388 2.204 2.598 . 0 0 "[ . 1 . 2]" 1
582 1 19 ILE MD 1 24 LEU H . . 4.630 3.796 3.413 4.316 . 0 0 "[ . 1 . 2]" 1
583 1 25 GLU H 1 26 ARG HG3 . . 4.520 4.026 3.795 4.684 0.164 12 0 "[ . 1 . 2]" 1
584 1 24 LEU HB2 1 25 GLU H . . 4.120 2.627 2.451 2.957 . 0 0 "[ . 1 . 2]" 1
585 1 24 LEU HG 1 25 GLU H . . 5.000 4.470 4.200 4.787 . 0 0 "[ . 1 . 2]" 1
586 1 24 LEU MD2 1 25 GLU H . . 5.330 4.625 4.507 4.753 . 0 0 "[ . 1 . 2]" 1
587 1 26 ARG H 1 26 ARG QD . . 4.680 3.948 3.762 4.419 . 0 0 "[ . 1 . 2]" 1
588 1 25 GLU HG2 1 26 ARG H . . 5.100 4.563 4.055 5.118 0.018 7 0 "[ . 1 . 2]" 1
589 1 25 GLU HG3 1 26 ARG H . . 5.100 4.968 4.425 5.198 0.098 13 0 "[ . 1 . 2]" 1
590 1 26 ARG H 1 26 ARG HB2 . . 3.250 2.522 2.429 2.656 . 0 0 "[ . 1 . 2]" 1
591 1 25 GLU H 1 25 GLU HG3 . . 3.820 3.041 2.059 3.549 . 0 0 "[ . 1 . 2]" 1
592 1 24 LEU MD2 1 26 ARG H . . 5.500 5.180 5.082 5.307 . 0 0 "[ . 1 . 2]" 1
593 1 24 LEU HB3 1 26 ARG H . . 5.500 4.951 4.872 5.022 . 0 0 "[ . 1 . 2]" 1
594 1 24 LEU HA 1 27 VAL H . . 4.440 3.432 3.246 3.593 . 0 0 "[ . 1 . 2]" 1
595 1 27 VAL H 1 27 VAL HB . . 3.180 2.475 2.440 2.518 . 0 0 "[ . 1 . 2]" 1
596 1 26 ARG HB2 1 27 VAL H . . 4.470 3.402 3.117 3.581 . 0 0 "[ . 1 . 2]" 1
597 1 27 VAL H 1 27 VAL MG1 . . 3.970 3.766 3.743 3.782 . 0 0 "[ . 1 . 2]" 1
598 1 24 LEU MD2 1 27 VAL H . . 5.380 4.784 4.490 4.999 . 0 0 "[ . 1 . 2]" 1
599 1 28 ASN H 1 47 HIS QB . . 4.940 3.665 3.436 3.907 . 0 0 "[ . 1 . 2]" 1
600 1 27 VAL MG1 1 28 ASN H . . 3.880 2.533 2.384 2.663 . 0 0 "[ . 1 . 2]" 1
601 1 28 ASN H 1 48 VAL MG2 . . 4.520 3.760 3.532 4.071 . 0 0 "[ . 1 . 2]" 1
602 1 29 MET H 1 47 HIS QB . . 3.960 2.536 2.268 2.881 . 0 0 "[ . 1 . 2]" 1
603 1 29 MET H 1 29 MET QG . . 4.570 4.149 2.898 4.285 . 0 0 "[ . 1 . 2]" 1
604 1 27 VAL MG1 1 29 MET H . . 3.450 2.462 2.318 2.662 . 0 0 "[ . 1 . 2]" 1
605 1 27 VAL MG2 1 29 MET H . . 4.730 4.629 4.501 4.736 0.006 3 0 "[ . 1 . 2]" 1
606 1 32 ILE H 1 80 CYS HB3 . . 4.930 4.314 3.862 4.940 0.010 18 0 "[ . 1 . 2]" 1
607 1 32 ILE H 1 32 ILE MG . . 4.130 3.805 3.777 3.841 . 0 0 "[ . 1 . 2]" 1
608 1 33 GLN H 1 33 GLN HG2 . . 5.000 4.276 4.147 4.352 . 0 0 "[ . 1 . 2]" 1
609 1 33 GLN H 1 33 GLN QB . . 3.500 2.200 2.117 2.289 . 0 0 "[ . 1 . 2]" 1
610 1 33 GLN H 1 45 ILE HG13 . . 5.080 3.520 3.160 4.904 . 0 0 "[ . 1 . 2]" 1
611 1 32 ILE MG 1 33 GLN H . . 3.640 2.967 2.610 3.214 . 0 0 "[ . 1 . 2]" 1
612 1 33 GLN H 1 34 ARG H . . 5.230 4.375 4.273 4.497 . 0 0 "[ . 1 . 2]" 1
613 1 33 GLN HA 1 34 ARG H . . 3.510 2.161 2.064 2.246 . 0 0 "[ . 1 . 2]" 1
614 1 34 ARG H 1 35 ALA H . . 4.600 4.411 4.281 4.524 . 0 0 "[ . 1 . 2]" 1
615 1 35 ALA H 1 43 ALA H . . 5.500 5.240 4.852 5.508 0.008 4 0 "[ . 1 . 2]" 1
616 1 36 ASP H 1 39 CYS HA . . 5.500 5.040 4.574 5.399 . 0 0 "[ . 1 . 2]" 1
617 1 35 ALA HA 1 36 ASP H . . 3.170 2.108 1.865 2.189 . 0 0 "[ . 1 . 2]" 1
618 1 36 ASP H 1 37 GLY H . . 3.910 2.455 1.927 3.783 . 0 0 "[ . 1 . 2]" 1
619 1 35 ALA HA 1 37 GLY H . . 5.330 4.282 3.667 5.579 0.249 3 0 "[ . 1 . 2]" 1
620 1 34 ARG H 1 38 ASP H . . 5.500 4.470 3.531 5.419 . 0 0 "[ . 1 . 2]" 1
621 1 37 GLY H 1 38 ASP H . . 4.270 2.040 1.603 2.388 . 0 0 "[ . 1 . 2]" 1
622 1 36 ASP H 1 39 CYS H . . 4.130 3.440 3.013 3.786 . 0 0 "[ . 1 . 2]" 1
623 1 37 GLY H 1 39 CYS H . . 4.100 3.890 2.835 4.312 0.212 3 0 "[ . 1 . 2]" 1
624 1 35 ALA HA 1 39 CYS H . . 5.110 3.481 3.083 4.071 . 0 0 "[ . 1 . 2]" 1
625 1 39 CYS HA 1 40 ASP H . . 3.350 2.577 2.208 3.175 . 0 0 "[ . 1 . 2]" 1
626 1 40 ASP H 1 41 LEU H . . 3.380 3.067 2.565 3.485 0.105 5 0 "[ . 1 . 2]" 1
627 1 39 CYS HA 1 41 LEU H . . 4.530 4.378 4.155 4.547 0.017 3 0 "[ . 1 . 2]" 1
628 1 42 ALA H 1 43 ALA H . . 4.480 4.379 4.318 4.424 . 0 0 "[ . 1 . 2]" 1
629 1 42 ALA HA 1 43 ALA H . . 3.410 2.116 2.078 2.163 . 0 0 "[ . 1 . 2]" 1
630 1 33 GLN HG2 1 34 ARG H . . 4.400 3.199 2.772 3.465 . 0 0 "[ . 1 . 2]" 1
631 1 33 GLN HG3 1 34 ARG H . . 4.400 3.301 2.957 3.765 . 0 0 "[ . 1 . 2]" 1
632 1 33 GLN QB 1 34 ARG H . . 4.190 3.757 3.625 3.895 . 0 0 "[ . 1 . 2]" 1
633 1 34 ARG H 1 34 ARG HB2 . . 3.830 3.744 3.635 3.813 . 0 0 "[ . 1 . 2]" 1
634 1 34 ARG H 1 42 ALA MB . . 5.200 5.159 4.914 5.256 0.056 9 0 "[ . 1 . 2]" 1
635 1 32 ILE MG 1 34 ARG H . . 4.660 4.036 3.710 4.449 . 0 0 "[ . 1 . 2]" 1
636 1 34 ARG HB2 1 35 ALA H . . 3.660 2.936 2.652 3.161 . 0 0 "[ . 1 . 2]" 1
637 1 35 ALA H 1 42 ALA MB . . 3.890 2.679 2.382 3.081 . 0 0 "[ . 1 . 2]" 1
638 1 35 ALA MB 1 36 ASP H . . 3.920 3.429 3.205 3.491 . 0 0 "[ . 1 . 2]" 1
639 1 36 ASP HB3 1 37 GLY H . . 3.800 2.193 1.906 2.468 . 0 0 "[ . 1 . 2]" 1
640 1 36 ASP HB3 1 38 ASP H . . 5.020 3.896 2.652 4.843 . 0 0 "[ . 1 . 2]" 1
641 1 39 CYS HB3 1 40 ASP H . . 3.920 2.606 1.906 4.052 0.132 3 0 "[ . 1 . 2]" 1
642 1 40 ASP H 1 41 LEU QB . . 4.860 4.108 3.536 4.565 . 0 0 "[ . 1 . 2]" 1
643 1 39 CYS HB3 1 41 LEU H . . 3.980 3.430 2.409 4.019 0.039 5 0 "[ . 1 . 2]" 1
644 1 39 CYS HB2 1 41 LEU H . . 4.260 3.923 2.959 4.313 0.053 8 0 "[ . 1 . 2]" 1
645 1 40 ASP QB 1 41 LEU H . . 3.870 3.791 3.686 3.866 . 0 0 "[ . 1 . 2]" 1
646 1 41 LEU H 1 41 LEU QB . . 3.310 2.763 2.624 2.869 . 0 0 "[ . 1 . 2]" 1
647 1 35 ALA MB 1 41 LEU H . . 4.540 2.918 2.527 3.363 . 0 0 "[ . 1 . 2]" 1
648 1 41 LEU H 1 41 LEU MD1 . . 4.900 4.529 4.151 4.888 . 0 0 "[ . 1 . 2]" 1
649 1 41 LEU H 1 41 LEU MD2 . . 4.900 4.471 4.126 4.844 . 0 0 "[ . 1 . 2]" 1
650 1 42 ALA H 1 42 ALA MB . . 2.980 2.297 2.272 2.351 . 0 0 "[ . 1 . 2]" 1
651 1 35 ALA MB 1 42 ALA H . . 3.770 3.188 2.624 3.781 0.011 5 0 "[ . 1 . 2]" 1
652 1 41 LEU MD1 1 42 ALA H . . 4.570 3.278 2.225 4.653 0.083 12 0 "[ . 1 . 2]" 1
653 1 41 LEU MD2 1 42 ALA H . . 4.570 3.313 2.335 4.573 0.003 5 0 "[ . 1 . 2]" 1
654 1 43 ALA H 1 57 PRO QD . . 5.180 4.047 3.668 4.512 . 0 0 "[ . 1 . 2]" 1
655 1 33 GLN HG2 1 43 ALA H . . 4.670 3.385 2.954 3.549 . 0 0 "[ . 1 . 2]" 1
656 1 33 GLN QB 1 43 ALA H . . 3.640 2.239 2.038 2.511 . 0 0 "[ . 1 . 2]" 1
657 1 33 GLN HG3 1 43 ALA H . . 4.670 4.699 4.471 4.759 0.089 3 0 "[ . 1 . 2]" 1
658 1 44 VAL H 1 55 VAL H . . 3.900 2.922 2.681 3.099 . 0 0 "[ . 1 . 2]" 1
659 1 43 ALA H 1 44 VAL H . . 4.530 4.302 4.194 4.396 . 0 0 "[ . 1 . 2]" 1
660 1 44 VAL H 1 54 CYS HA . . 4.910 4.404 4.190 4.668 . 0 0 "[ . 1 . 2]" 1
661 1 43 ALA HA 1 44 VAL H . . 3.550 2.262 2.159 2.371 . 0 0 "[ . 1 . 2]" 1
662 1 44 VAL H 1 45 ILE H . . 5.160 4.184 4.118 4.269 . 0 0 "[ . 1 . 2]" 1
663 1 33 GLN H 1 45 ILE H . . 4.280 3.546 3.233 3.747 . 0 0 "[ . 1 . 2]" 1
664 1 30 CYS HA 1 45 ILE H . . 5.500 4.863 4.626 5.179 . 0 0 "[ . 1 . 2]" 1
665 1 32 ILE HA 1 45 ILE H . . 4.300 3.398 2.828 3.735 . 0 0 "[ . 1 . 2]" 1
666 1 45 ILE H 1 54 CYS HA . . 5.500 4.835 4.569 4.967 . 0 0 "[ . 1 . 2]" 1
667 1 45 ILE H 1 46 LEU H . . 5.010 4.373 4.332 4.413 . 0 0 "[ . 1 . 2]" 1
668 1 46 LEU H 1 55 VAL H . . 5.000 4.385 4.194 4.568 . 0 0 "[ . 1 . 2]" 1
669 1 46 LEU H 1 54 CYS H . . 5.310 4.759 4.601 4.857 . 0 0 "[ . 1 . 2]" 1
670 1 46 LEU H 1 54 CYS HA . . 4.610 3.004 2.780 3.216 . 0 0 "[ . 1 . 2]" 1
671 1 45 ILE HA 1 46 LEU H . . 3.400 2.186 2.096 2.257 . 0 0 "[ . 1 . 2]" 1
672 1 46 LEU H 1 47 HIS H . . 5.010 4.213 4.132 4.309 . 0 0 "[ . 1 . 2]" 1
673 1 46 LEU HA 1 47 HIS H . . 3.440 2.084 2.057 2.115 . 0 0 "[ . 1 . 2]" 1
674 1 48 VAL H 1 49 LYS H . . 4.690 4.360 4.282 4.410 . 0 0 "[ . 1 . 2]" 1
675 1 48 VAL H 1 51 ARG H . . 3.680 3.506 3.365 3.681 0.001 15 0 "[ . 1 . 2]" 1
676 1 48 VAL H 1 52 ARG HA . . 4.780 2.609 2.518 2.756 . 0 0 "[ . 1 . 2]" 1
677 1 28 ASN HD22 1 49 LYS H . . 4.850 2.797 2.373 3.813 . 0 0 "[ . 1 . 2]" 1
678 1 16 SER H 1 56 SER H . . 4.340 4.297 3.762 4.438 0.098 9 0 "[ . 1 . 2]" 1
679 1 50 ARG H 1 51 ARG H . . 3.580 2.350 2.103 2.559 . 0 0 "[ . 1 . 2]" 1
680 1 49 LYS H 1 51 ARG H . . 5.200 4.304 4.100 4.466 . 0 0 "[ . 1 . 2]" 1
681 1 47 HIS HA 1 51 ARG H . . 5.360 5.340 5.193 5.423 0.063 15 0 "[ . 1 . 2]" 1
682 1 49 LYS HA 1 51 ARG H . . 4.910 4.554 4.327 4.908 . 0 0 "[ . 1 . 2]" 1
683 1 52 ARG H 1 53 ILE H . . 4.880 4.320 4.148 4.446 . 0 0 "[ . 1 . 2]" 1
684 1 53 ILE H 1 54 CYS H . . 4.890 4.412 4.295 4.500 . 0 0 "[ . 1 . 2]" 1
685 1 47 HIS HA 1 53 ILE H . . 4.450 3.436 3.209 3.702 . 0 0 "[ . 1 . 2]" 1
686 1 53 ILE H 1 54 CYS HA . . 5.490 4.864 4.712 5.022 . 0 0 "[ . 1 . 2]" 1
687 1 44 VAL H 1 54 CYS HB3 . . 5.500 4.268 3.653 4.754 . 0 0 "[ . 1 . 2]" 1
688 1 33 GLN QB 1 45 ILE H . . 5.150 3.949 3.721 4.114 . 0 0 "[ . 1 . 2]" 1
689 1 45 ILE H 1 45 ILE HB . . 3.640 2.510 2.401 2.609 . 0 0 "[ . 1 . 2]" 1
690 1 45 ILE H 1 45 ILE HG13 . . 4.220 2.219 1.938 3.521 . 0 0 "[ . 1 . 2]" 1
691 1 45 ILE H 1 45 ILE MG . . 4.280 3.743 3.680 3.790 . 0 0 "[ . 1 . 2]" 1
692 1 45 ILE HB 1 46 LEU H . . 4.680 4.248 4.189 4.294 . 0 0 "[ . 1 . 2]" 1
693 1 46 LEU H 1 46 LEU MD2 . . 5.370 3.745 3.656 3.833 . 0 0 "[ . 1 . 2]" 1
694 1 47 HIS H 1 47 HIS QB . . 3.510 2.624 2.534 2.718 . 0 0 "[ . 1 . 2]" 1
695 1 29 MET QG 1 47 HIS H . . 5.310 4.195 3.854 5.092 . 0 0 "[ . 1 . 2]" 1
696 1 29 MET HB3 1 47 HIS H . . 4.970 2.912 2.577 4.481 . 0 0 "[ . 1 . 2]" 1
697 1 27 VAL HA 1 47 HIS H . . 5.340 4.534 4.154 4.755 . 0 0 "[ . 1 . 2]" 1
698 1 46 LEU HB3 1 47 HIS H . . 4.150 3.363 3.220 3.490 . 0 0 "[ . 1 . 2]" 1
699 1 27 VAL MG1 1 47 HIS H . . 3.670 2.412 2.134 2.735 . 0 0 "[ . 1 . 2]" 1
700 1 27 VAL MG2 1 47 HIS H . . 4.360 4.091 3.728 4.311 . 0 0 "[ . 1 . 2]" 1
701 1 46 LEU MD1 1 47 HIS H . . 5.330 5.127 5.028 5.215 . 0 0 "[ . 1 . 2]" 1
702 1 46 LEU MD2 1 47 HIS H . . 5.330 3.689 3.615 3.794 . 0 0 "[ . 1 . 2]" 1
703 1 46 LEU HG 1 47 HIS H . . 4.970 5.029 5.010 5.050 0.080 16 0 "[ . 1 . 2]" 1
704 1 48 VAL H 1 48 VAL MG1 . . 4.050 3.817 3.785 3.870 . 0 0 "[ . 1 . 2]" 1
705 1 28 ASN QB 1 49 LYS H . . 5.010 4.867 4.550 5.061 0.051 20 0 "[ . 1 . 2]" 1
706 1 49 LYS H 1 49 LYS HB2 . . 4.150 2.544 2.449 2.692 . 0 0 "[ . 1 . 2]" 1
707 1 48 VAL HB 1 49 LYS H . . 3.930 3.667 3.595 3.761 . 0 0 "[ . 1 . 2]" 1
708 1 48 VAL MG1 1 49 LYS H . . 4.310 2.155 2.053 2.239 . 0 0 "[ . 1 . 2]" 1
709 1 48 VAL MG2 1 49 LYS H . . 4.310 4.074 3.858 4.143 . 0 0 "[ . 1 . 2]" 1
710 1 49 LYS HB2 1 50 ARG H . . 3.460 3.010 2.726 3.317 . 0 0 "[ . 1 . 2]" 1
711 1 48 VAL HB 1 50 ARG H . . 3.310 3.092 2.771 3.319 0.009 18 0 "[ . 1 . 2]" 1
712 1 51 ARG QB 1 52 ARG H . . 3.390 2.552 2.084 3.475 0.085 18 0 "[ . 1 . 2]" 1
713 1 52 ARG H 1 52 ARG QB . . 3.220 2.291 2.181 2.419 . 0 0 "[ . 1 . 2]" 1
714 1 3 ALA MB 1 4 ILE H . . 5.190 2.988 1.846 3.712 . 0 0 "[ . 1 . 2]" 1
715 1 51 ARG H 1 51 ARG QB . . 3.110 2.908 2.787 3.209 0.099 10 0 "[ . 1 . 2]" 1
716 1 48 VAL MG1 1 51 ARG H . . 4.690 3.215 2.958 3.462 . 0 0 "[ . 1 . 2]" 1
717 1 48 VAL MG2 1 51 ARG H . . 4.690 3.933 3.674 4.083 . 0 0 "[ . 1 . 2]" 1
718 1 46 LEU HB2 1 53 ILE H . . 4.270 3.038 2.863 3.199 . 0 0 "[ . 1 . 2]" 1
719 1 53 ILE H 1 53 ILE HB . . 3.590 2.593 2.545 2.695 . 0 0 "[ . 1 . 2]" 1
720 1 53 ILE H 1 53 ILE HG13 . . 4.480 3.570 2.650 4.051 . 0 0 "[ . 1 . 2]" 1
721 1 46 LEU HB3 1 53 ILE H . . 4.190 4.167 4.012 4.245 0.055 17 0 "[ . 1 . 2]" 1
722 1 52 ARG HG2 1 53 ILE H . . 4.320 3.180 2.774 3.598 . 0 0 "[ . 1 . 2]" 1
723 1 53 ILE H 1 53 ILE HG12 . . 4.480 4.178 2.692 4.484 0.004 15 0 "[ . 1 . 2]" 1
724 1 45 ILE HA 1 54 CYS H . . 5.420 5.162 4.809 5.392 . 0 0 "[ . 1 . 2]" 1
725 1 54 CYS H 1 55 VAL H . . 5.150 4.347 4.248 4.406 . 0 0 "[ . 1 . 2]" 1
726 1 55 VAL H 1 56 SER H . . 5.020 4.471 4.374 4.514 . 0 0 "[ . 1 . 2]" 1
727 1 54 CYS HA 1 55 VAL H . . 3.220 2.168 2.087 2.210 . 0 0 "[ . 1 . 2]" 1
728 1 15 VAL HA 1 55 VAL H . . 5.080 4.510 4.119 4.719 . 0 0 "[ . 1 . 2]" 1
729 1 58 HIS H 1 59 ASN H . . 3.320 2.398 2.268 2.558 . 0 0 "[ . 1 . 2]" 1
730 1 59 ASN H 1 62 VAL H . . 5.270 4.892 4.667 5.169 . 0 0 "[ . 1 . 2]" 1
731 1 48 VAL H 1 53 ILE H . . 4.730 3.939 3.767 4.168 . 0 0 "[ . 1 . 2]" 1
732 1 16 SER H 1 54 CYS H . . 4.660 4.105 3.888 4.439 . 0 0 "[ . 1 . 2]" 1
733 1 44 VAL H 1 56 SER H . . 5.500 4.836 4.683 4.937 . 0 0 "[ . 1 . 2]" 1
734 1 58 HIS H 1 58 HIS HD2 . . 3.900 2.534 2.260 2.827 . 0 0 "[ . 1 . 2]" 1
735 1 58 HIS HD2 1 59 ASN H . . 5.470 4.875 4.529 5.105 . 0 0 "[ . 1 . 2]" 1
736 1 61 THR H 1 63 LYS H . . 4.680 4.158 3.956 4.377 . 0 0 "[ . 1 . 2]" 1
737 1 61 THR H 1 62 VAL H . . 3.390 2.670 2.548 2.774 . 0 0 "[ . 1 . 2]" 1
738 1 59 ASN HD21 1 62 VAL H . . 5.410 3.683 2.870 4.844 . 0 0 "[ . 1 . 2]" 1
739 1 59 ASN HD22 1 62 VAL H . . 5.410 3.637 3.104 4.583 . 0 0 "[ . 1 . 2]" 1
740 1 62 VAL H 1 64 GLN H . . 4.730 4.033 3.903 4.218 . 0 0 "[ . 1 . 2]" 1
741 1 62 VAL H 1 63 LYS H . . 3.520 2.643 2.510 2.824 . 0 0 "[ . 1 . 2]" 1
742 1 63 LYS H 1 66 MET H . . 5.470 4.674 4.517 4.820 . 0 0 "[ . 1 . 2]" 1
743 1 64 GLN H 1 66 MET H . . 4.920 4.006 3.856 4.160 . 0 0 "[ . 1 . 2]" 1
744 1 54 CYS HB2 1 55 VAL H . . 4.980 4.104 3.907 4.205 . 0 0 "[ . 1 . 2]" 1
745 1 58 HIS H 1 58 HIS HB3 . . 3.990 3.669 3.621 3.715 . 0 0 "[ . 1 . 2]" 1
746 1 57 PRO HA 1 59 ASN H . . 4.490 3.534 3.351 3.670 . 0 0 "[ . 1 . 2]" 1
747 1 61 THR H 1 61 THR HB . . 3.180 2.603 2.547 2.675 . 0 0 "[ . 1 . 2]" 1
748 1 60 HIS HA 1 62 VAL H . . 4.950 4.352 4.128 4.570 . 0 0 "[ . 1 . 2]" 1
749 1 62 VAL H 1 65 TRP HB3 . . 5.500 4.731 4.640 4.829 . 0 0 "[ . 1 . 2]" 1
750 1 63 LYS H 1 64 GLN H . . 3.340 2.774 2.661 2.917 . 0 0 "[ . 1 . 2]" 1
751 1 58 HIS HB3 1 59 ASN H . . 4.660 4.289 4.182 4.360 . 0 0 "[ . 1 . 2]" 1
752 1 59 ASN HB2 1 61 THR H . . 5.390 4.741 4.574 5.006 . 0 0 "[ . 1 . 2]" 1
753 1 59 ASN HB3 1 61 THR H . . 5.390 4.202 3.983 4.555 . 0 0 "[ . 1 . 2]" 1
754 1 60 HIS HA 1 64 GLN H . . 4.400 4.117 3.833 4.417 0.017 1 0 "[ . 1 . 2]" 1
755 1 61 THR HA 1 64 GLN H . . 4.140 3.445 3.213 3.719 . 0 0 "[ . 1 . 2]" 1
756 1 21 ARG QD 1 64 GLN H . . 4.790 4.856 4.747 5.003 0.213 12 0 "[ . 1 . 2]" 1
757 1 53 ILE HB 1 54 CYS H . . 4.530 3.940 3.673 4.067 . 0 0 "[ . 1 . 2]" 1
758 1 53 ILE HG13 1 54 CYS H . . 4.810 4.377 4.011 4.866 0.056 9 0 "[ . 1 . 2]" 1
759 1 53 ILE HG12 1 54 CYS H . . 4.810 4.639 4.060 4.890 0.080 20 0 "[ . 1 . 2]" 1
760 1 55 VAL H 1 55 VAL HB . . 3.980 3.132 2.701 3.873 . 0 0 "[ . 1 . 2]" 1
761 1 46 LEU HG 1 55 VAL H . . 5.290 3.695 3.447 3.918 . 0 0 "[ . 1 . 2]" 1
762 1 55 VAL H 1 55 VAL MG2 . . 4.670 2.756 2.181 3.983 . 0 0 "[ . 1 . 2]" 1
763 1 57 PRO HG3 1 58 HIS H . . 4.970 4.462 4.307 4.652 . 0 0 "[ . 1 . 2]" 1
764 1 57 PRO HG2 1 58 HIS H . . 4.220 3.359 2.997 4.247 0.027 1 0 "[ . 1 . 2]" 1
765 1 58 HIS H 1 62 VAL MG1 . . 5.500 5.483 5.261 5.616 0.116 5 0 "[ . 1 . 2]" 1
766 1 59 ASN H 1 62 VAL HB . . 4.490 3.717 3.586 3.837 . 0 0 "[ . 1 . 2]" 1
767 1 59 ASN H 1 63 LYS QG . . 5.030 4.315 3.998 4.710 . 0 0 "[ . 1 . 2]" 1
768 1 59 ASN H 1 62 VAL MG1 . . 4.450 4.442 4.294 4.507 0.057 12 0 "[ . 1 . 2]" 1
769 1 59 ASN H 1 62 VAL MG2 . . 4.620 4.108 3.866 4.361 . 0 0 "[ . 1 . 2]" 1
770 1 61 THR H 1 62 VAL HB . . 4.750 4.652 4.520 4.761 0.011 11 0 "[ . 1 . 2]" 1
771 1 61 THR H 1 63 LYS QG . . 5.500 5.155 4.671 5.580 0.080 8 0 "[ . 1 . 2]" 1
772 1 19 ILE MG 1 61 THR H . . 4.920 4.779 4.499 4.956 0.036 9 0 "[ . 1 . 2]" 1
773 1 24 LEU MD1 1 61 THR H . . 5.500 5.151 4.985 5.310 . 0 0 "[ . 1 . 2]" 1
774 1 62 VAL H 1 62 VAL MG1 . . 3.790 3.719 3.687 3.742 . 0 0 "[ . 1 . 2]" 1
775 1 19 ILE MG 1 62 VAL H . . 4.430 3.632 3.361 3.787 . 0 0 "[ . 1 . 2]" 1
776 1 24 LEU MD1 1 62 VAL H . . 5.110 3.597 3.310 3.822 . 0 0 "[ . 1 . 2]" 1
777 1 63 LYS H 1 63 LYS QE . . 5.020 4.202 3.365 5.038 0.018 10 0 "[ . 1 . 2]" 1
778 1 62 VAL MG1 1 63 LYS H . . 3.770 3.008 2.806 3.149 . 0 0 "[ . 1 . 2]" 1
779 1 19 ILE MG 1 63 LYS H . . 5.500 5.620 5.549 5.698 0.198 13 0 "[ . 1 . 2]" 1
780 1 24 LEU MD1 1 63 LYS H . . 5.500 4.953 4.728 5.167 . 0 0 "[ . 1 . 2]" 1
781 1 24 LEU MD2 1 62 VAL H . . 5.500 4.947 4.746 5.135 . 0 0 "[ . 1 . 2]" 1
782 1 64 GLN H 1 64 GLN QB . . 2.900 2.202 2.074 2.372 . 0 0 "[ . 1 . 2]" 1
783 1 63 LYS QG 1 64 GLN H . . 4.300 4.109 3.874 4.328 0.028 14 0 "[ . 1 . 2]" 1
784 1 62 VAL MG1 1 64 GLN H . . 4.760 4.788 4.762 4.822 0.062 17 0 "[ . 1 . 2]" 1
785 1 65 TRP H 1 66 MET H . . 3.590 2.767 2.671 2.855 . 0 0 "[ . 1 . 2]" 1
786 1 62 VAL H 1 65 TRP H . . 5.140 4.634 4.536 4.709 . 0 0 "[ . 1 . 2]" 1
787 1 63 LYS H 1 65 TRP H . . 4.750 4.219 4.036 4.325 . 0 0 "[ . 1 . 2]" 1
788 1 65 TRP H 1 65 TRP HE3 . . 4.230 4.151 4.031 4.250 0.020 15 0 "[ . 1 . 2]" 1
789 1 65 TRP HE1 1 69 GLN HE22 . . 4.530 3.577 3.262 3.994 . 0 0 "[ . 1 . 2]" 1
790 1 65 TRP HE1 1 69 GLN HE21 . . 4.670 2.662 2.319 2.893 . 0 0 "[ . 1 . 2]" 1
791 1 66 MET H 1 68 VAL H . . 5.260 4.221 4.106 4.304 . 0 0 "[ . 1 . 2]" 1
792 1 66 MET H 1 67 LYS H . . 3.670 2.847 2.668 3.039 . 0 0 "[ . 1 . 2]" 1
793 1 65 TRP H 1 67 LYS H . . 4.880 4.269 4.093 4.507 . 0 0 "[ . 1 . 2]" 1
794 1 67 LYS H 1 69 GLN H . . 4.830 4.134 3.935 4.325 . 0 0 "[ . 1 . 2]" 1
795 1 68 VAL H 1 69 GLN H . . 3.730 2.487 2.384 2.631 . 0 0 "[ . 1 . 2]" 1
796 1 69 GLN H 1 70 ALA H . . 3.770 2.581 2.496 2.676 . 0 0 "[ . 1 . 2]" 1
797 1 69 GLN H 1 71 ALA H . . 4.970 4.153 3.980 4.352 . 0 0 "[ . 1 . 2]" 1
798 1 69 GLN H 1 69 GLN HE21 . . 4.830 4.300 3.982 4.918 0.088 3 0 "[ . 1 . 2]" 1
799 1 72 LYS H 1 74 ASN H . . 5.500 5.342 4.805 5.542 0.042 1 0 "[ . 1 . 2]" 1
800 1 72 LYS H 1 73 LYS H . . 4.980 4.115 2.647 4.618 . 0 0 "[ . 1 . 2]" 1
801 1 62 VAL HA 1 65 TRP H . . 4.000 3.490 3.312 3.762 . 0 0 "[ . 1 . 2]" 1
802 1 65 TRP HD1 1 66 MET H . . 5.500 5.275 5.161 5.401 . 0 0 "[ . 1 . 2]" 1
803 1 65 TRP HZ3 1 66 MET H . . 5.390 4.754 4.408 4.914 . 0 0 "[ . 1 . 2]" 1
804 1 62 VAL HA 1 66 MET H . . 4.590 3.913 3.695 4.148 . 0 0 "[ . 1 . 2]" 1
805 1 65 TRP HA 1 67 LYS H . . 5.060 4.398 4.207 4.611 . 0 0 "[ . 1 . 2]" 1
806 1 65 TRP HA 1 68 VAL H . . 4.510 3.523 3.365 3.737 . 0 0 "[ . 1 . 2]" 1
807 1 65 TRP HA 1 69 GLN H . . 5.160 4.020 3.740 4.279 . 0 0 "[ . 1 . 2]" 1
808 1 67 LYS HA 1 69 GLN H . . 5.160 4.651 4.360 4.963 . 0 0 "[ . 1 . 2]" 1
809 1 65 TRP H 1 65 TRP HB3 . . 3.350 2.204 2.125 2.275 . 0 0 "[ . 1 . 2]" 1
810 1 64 GLN QB 1 65 TRP H . . 3.430 2.493 2.310 2.947 . 0 0 "[ . 1 . 2]" 1
811 1 21 ARG QG 1 65 TRP H . . 5.360 3.582 3.295 3.782 . 0 0 "[ . 1 . 2]" 1
812 1 65 TRP HE1 1 69 GLN HG2 . . 4.920 3.038 2.787 3.302 . 0 0 "[ . 1 . 2]" 1
813 1 24 LEU HB2 1 65 TRP HE1 . . 4.860 3.991 3.883 4.103 . 0 0 "[ . 1 . 2]" 1
814 1 24 LEU HA 1 65 TRP HE1 . . 5.480 4.203 3.958 4.406 . 0 0 "[ . 1 . 2]" 1
815 1 65 TRP HB2 1 66 MET H . . 4.090 3.902 3.825 3.990 . 0 0 "[ . 1 . 2]" 1
816 1 21 ARG QG 1 66 MET H . . 5.370 5.398 5.212 5.487 0.117 6 0 "[ . 1 . 2]" 1
817 1 65 TRP HE1 1 69 GLN HB3 . . 5.500 4.561 4.390 4.686 . 0 0 "[ . 1 . 2]" 1
818 1 66 MET H 1 69 GLN HB2 . . 5.500 4.803 4.609 5.058 . 0 0 "[ . 1 . 2]" 1
819 1 66 MET HG2 1 67 LYS H . . 5.260 4.767 4.253 5.194 . 0 0 "[ . 1 . 2]" 1
820 1 66 MET HG3 1 67 LYS H . . 5.260 4.591 2.815 5.226 . 0 0 "[ . 1 . 2]" 1
821 1 66 MET HB2 1 67 LYS H . . 3.910 2.810 2.330 3.939 0.029 20 0 "[ . 1 . 2]" 1
822 1 67 LYS H 1 67 LYS QD . . 4.650 4.175 3.609 4.651 0.001 11 0 "[ . 1 . 2]" 1
823 1 66 MET HA 1 68 VAL H . . 5.490 4.231 3.905 4.661 . 0 0 "[ . 1 . 2]" 1
824 1 67 LYS QD 1 68 VAL H . . 5.380 4.217 3.262 5.155 . 0 0 "[ . 1 . 2]" 1
825 1 68 VAL H 1 70 ALA MB . . 4.680 4.667 4.469 4.767 0.087 8 0 "[ . 1 . 2]" 1
826 1 68 VAL HB 1 69 GLN H . . 3.740 2.533 2.362 2.772 . 0 0 "[ . 1 . 2]" 1
827 1 67 LYS QB 1 69 GLN H . . 5.170 4.736 4.467 5.224 0.054 7 0 "[ . 1 . 2]" 1
828 1 69 GLN H 1 69 GLN HB3 . . 4.000 3.584 3.550 3.642 . 0 0 "[ . 1 . 2]" 1
829 1 69 GLN H 1 69 GLN HB2 . . 3.330 2.406 2.292 2.510 . 0 0 "[ . 1 . 2]" 1
830 1 66 MET HA 1 70 ALA H . . 5.350 3.836 3.451 4.275 . 0 0 "[ . 1 . 2]" 1
831 1 68 VAL HA 1 71 ALA H . . 4.350 3.875 3.595 4.238 . 0 0 "[ . 1 . 2]" 1
832 1 72 LYS H 1 72 LYS QD . . 3.910 2.494 2.129 3.016 . 0 0 "[ . 1 . 2]" 1
833 1 71 ALA H 1 71 ALA MB . . 3.270 2.235 2.189 2.272 . 0 0 "[ . 1 . 2]" 1
834 1 72 LYS QG 1 73 LYS H . . 4.660 4.017 3.203 4.747 0.087 18 0 "[ . 1 . 2]" 1
835 1 24 LEU MD1 1 65 TRP H . . 4.530 3.660 3.541 3.790 . 0 0 "[ . 1 . 2]" 1
836 1 24 LEU MD2 1 65 TRP H . . 5.500 5.573 5.518 5.629 0.129 18 0 "[ . 1 . 2]" 1
837 1 65 TRP HE1 1 69 GLN HG3 . . 4.760 2.287 1.984 2.446 . 0 0 "[ . 1 . 2]" 1
838 1 27 VAL MG2 1 65 TRP HE1 . . 5.120 4.227 3.879 4.455 . 0 0 "[ . 1 . 2]" 1
839 1 24 LEU HB3 1 65 TRP HE1 . . 4.490 3.058 2.906 3.307 . 0 0 "[ . 1 . 2]" 1
840 1 62 VAL MG1 1 66 MET H . . 4.540 3.904 3.721 4.238 . 0 0 "[ . 1 . 2]" 1
841 1 66 MET H 1 79 VAL MG1 . . 5.500 4.945 4.547 5.524 0.024 5 0 "[ . 1 . 2]" 1
842 1 24 LEU MD1 1 66 MET H . . 5.370 4.440 4.299 4.557 . 0 0 "[ . 1 . 2]" 1
843 1 24 LEU MD2 1 66 MET H . . 5.500 5.521 5.425 5.628 0.128 13 0 "[ . 1 . 2]" 1
844 1 67 LYS H 1 79 VAL MG1 . . 5.500 4.895 4.446 5.417 . 0 0 "[ . 1 . 2]" 1
845 1 68 VAL H 1 68 VAL MG2 . . 4.240 2.141 2.001 2.255 . 0 0 "[ . 1 . 2]" 1
846 1 68 VAL MG2 1 69 GLN H . . 5.250 3.732 3.574 3.907 . 0 0 "[ . 1 . 2]" 1
847 1 69 GLN H 1 79 VAL MG2 . . 5.200 4.456 4.079 4.784 . 0 0 "[ . 1 . 2]" 1
848 1 71 ALA H 1 79 VAL MG2 . . 5.500 4.536 4.344 4.868 . 0 0 "[ . 1 . 2]" 1
849 1 75 GLY H 1 76 LYS H . . 5.380 3.903 2.211 4.601 . 0 0 "[ . 1 . 2]" 1
850 1 76 LYS H 1 77 GLY H . . 4.730 3.981 3.438 4.660 . 0 0 "[ . 1 . 2]" 1
851 1 102 TYR H 1 102 TYR QD . . 5.280 2.865 2.204 3.699 . 0 0 "[ . 1 . 2]" 1
852 1 81 HIS H 1 81 HIS HD2 . . 4.140 3.749 3.391 4.226 0.086 8 0 "[ . 1 . 2]" 1
853 1 79 VAL H 1 80 CYS H . . 4.600 4.343 4.211 4.447 . 0 0 "[ . 1 . 2]" 1
854 1 80 CYS H 1 81 HIS H . . 4.440 2.431 2.033 4.284 . 0 0 "[ . 1 . 2]" 1
855 1 72 LYS QB 1 74 ASN H . . 5.500 2.847 1.991 3.818 . 0 0 "[ . 1 . 2]" 1
856 1 78 ASN HB2 1 79 VAL H . . 5.500 4.308 4.240 4.359 . 0 0 "[ . 1 . 2]" 1
857 1 78 ASN HB3 1 79 VAL H . . 5.500 4.597 4.523 4.693 . 0 0 "[ . 1 . 2]" 1
858 1 79 VAL H 1 79 VAL HB . . 4.100 2.831 2.769 2.875 . 0 0 "[ . 1 . 2]" 1
859 1 79 VAL H 1 79 VAL MG1 . . 3.850 3.850 3.804 3.875 0.025 3 0 "[ . 1 . 2]" 1
860 1 79 VAL HB 1 80 CYS H . . 4.270 3.879 3.699 4.068 . 0 0 "[ . 1 . 2]" 1
861 1 79 VAL MG1 1 80 CYS H . . 4.100 2.496 2.166 2.804 . 0 0 "[ . 1 . 2]" 1
862 1 79 VAL MG1 1 81 HIS H . . 5.320 3.405 2.702 5.328 0.008 8 0 "[ . 1 . 2]" 1
863 1 82 ARG QD 1 83 LYS H . . 5.410 4.645 3.772 5.376 . 0 0 "[ . 1 . 2]" 1
864 1 82 ARG HB2 1 83 LYS H . . 3.870 3.180 1.768 3.957 0.087 1 0 "[ . 1 . 2]" 1
865 1 82 ARG HB3 1 83 LYS H . . 3.870 3.270 1.803 3.957 0.087 17 0 "[ . 1 . 2]" 1
866 1 83 LYS H 1 83 LYS QG . . 4.680 3.382 2.207 4.584 . 0 0 "[ . 1 . 2]" 1
867 1 83 LYS QG 1 84 LYS H . . 5.410 3.664 1.614 4.591 . 0 0 "[ . 1 . 2]" 1
868 1 88 LYS H 1 88 LYS QD . . 5.500 4.131 2.431 5.378 . 0 0 "[ . 1 . 2]" 1
869 1 101 THR HB 1 102 TYR H . . 4.730 3.715 2.489 4.406 . 0 0 "[ . 1 . 2]" 1
870 1 101 THR MG 1 102 TYR H . . 5.500 3.531 2.159 4.209 . 0 0 "[ . 1 . 2]" 1
871 1 38 ASP H 1 39 CYS H . . 3.440 2.540 2.260 2.897 . 0 0 "[ . 1 . 2]" 1
872 1 18 HIS H 1 56 SER H . . 5.450 4.988 4.734 5.232 . 0 0 "[ . 1 . 2]" 1
873 1 78 ASN H 1 79 VAL H . . 4.900 2.585 2.095 2.851 . 0 0 "[ . 1 . 2]" 1
874 1 67 LYS H 1 68 VAL H . . 3.500 2.631 2.491 2.776 . 0 0 "[ . 1 . 2]" 1
875 1 31 ARG H 1 32 ILE H . . 5.230 4.240 4.088 4.334 . 0 0 "[ . 1 . 2]" 1
876 1 30 CYS H 1 31 ARG H . . 5.500 4.220 4.124 4.311 . 0 0 "[ . 1 . 2]" 1
877 1 31 ARG H 1 46 LEU HA . . 5.500 3.904 3.641 4.091 . 0 0 "[ . 1 . 2]" 1
878 1 31 ARG H 1 44 VAL HA . . 5.500 4.422 4.168 4.693 . 0 0 "[ . 1 . 2]" 1
879 1 28 ASN HD21 1 49 LYS H . . 4.870 3.105 2.731 3.883 . 0 0 "[ . 1 . 2]" 1
880 1 28 ASN H 1 28 ASN HD21 . . 5.460 2.431 1.650 2.683 . 0 0 "[ . 1 . 2]" 1
881 1 28 ASN HD22 1 48 VAL H . . 5.500 5.054 4.041 5.571 0.071 6 0 "[ . 1 . 2]" 1
882 1 28 ASN H 1 28 ASN HD22 . . 5.500 3.554 3.281 3.737 . 0 0 "[ . 1 . 2]" 1
883 1 28 ASN HD21 1 48 VAL HA . . 5.500 2.410 1.892 2.834 . 0 0 "[ . 1 . 2]" 1
884 1 28 ASN HD21 1 49 LYS HA . . 5.410 4.254 3.424 5.363 . 0 0 "[ . 1 . 2]" 1
885 1 28 ASN HA 1 28 ASN HD22 . . 5.060 4.694 4.205 5.123 0.063 1 0 "[ . 1 . 2]" 1
886 1 28 ASN HD22 1 48 VAL HA . . 5.500 2.915 2.692 3.228 . 0 0 "[ . 1 . 2]" 1
887 1 28 ASN HD22 1 49 LYS HA . . 5.140 3.817 2.529 4.721 . 0 0 "[ . 1 . 2]" 1
888 1 28 ASN HD21 1 48 VAL HB . . 5.500 5.304 4.929 5.519 0.019 10 0 "[ . 1 . 2]" 1
889 1 28 ASN HD21 1 49 LYS QD . . 5.500 4.103 3.170 5.242 . 0 0 "[ . 1 . 2]" 1
890 1 28 ASN HD22 1 47 HIS QB . . 5.500 4.602 2.739 5.524 0.024 18 0 "[ . 1 . 2]" 1
891 1 28 ASN HD22 1 49 LYS QD . . 5.500 3.379 1.795 5.353 . 0 0 "[ . 1 . 2]" 1
892 1 29 MET H 1 30 CYS H . . 5.500 4.372 4.301 4.429 . 0 0 "[ . 1 . 2]" 1
893 1 30 CYS HB2 1 31 ARG H . . 4.800 4.186 4.065 4.410 . 0 0 "[ . 1 . 2]" 1
894 1 30 CYS HB3 1 31 ARG H . . 5.320 4.194 4.117 4.276 . 0 0 "[ . 1 . 2]" 1
895 1 31 ARG H 1 45 ILE MG . . 5.150 4.036 3.820 4.300 . 0 0 "[ . 1 . 2]" 1
896 1 12 CYS H 1 33 GLN HE22 . . 4.500 2.475 1.856 2.904 . 0 0 "[ . 1 . 2]" 1
897 1 12 CYS HB2 1 33 GLN HE21 . . 4.510 4.194 3.396 4.658 0.148 14 0 "[ . 1 . 2]" 1
898 1 33 GLN HE21 1 43 ALA MB . . 4.660 2.627 2.218 3.354 . 0 0 "[ . 1 . 2]" 1
899 1 33 GLN HE21 1 45 ILE MD . . 5.500 4.653 3.691 5.277 . 0 0 "[ . 1 . 2]" 1
900 1 33 GLN HE22 1 39 CYS HB2 . . 4.320 3.747 3.071 4.327 0.007 19 0 "[ . 1 . 2]" 1
901 1 12 CYS HB2 1 33 GLN HE22 . . 4.510 3.231 2.499 3.816 . 0 0 "[ . 1 . 2]" 1
902 1 33 GLN HE22 1 41 LEU QB . . 4.520 2.808 2.184 3.527 . 0 0 "[ . 1 . 2]" 1
903 1 33 GLN HE22 1 45 ILE MD . . 5.500 4.384 3.560 4.966 . 0 0 "[ . 1 . 2]" 1
904 1 19 ILE H 1 59 ASN HD21 . . 4.660 2.939 2.277 4.291 . 0 0 "[ . 1 . 2]" 1
905 1 59 ASN HD21 1 61 THR HB . . 5.500 3.466 2.511 4.673 . 0 0 "[ . 1 . 2]" 1
906 1 19 ILE H 1 59 ASN HD22 . . 4.660 2.114 1.690 3.055 . 0 0 "[ . 1 . 2]" 1
907 1 59 ASN HD21 1 62 VAL MG2 . . 5.500 2.936 1.786 5.037 . 0 0 "[ . 1 . 2]" 1
908 1 19 ILE MG 1 59 ASN HD21 . . 5.200 2.585 1.664 5.025 . 0 0 "[ . 1 . 2]" 1
909 1 59 ASN HD22 1 62 VAL MG2 . . 5.500 3.610 2.746 4.716 . 0 0 "[ . 1 . 2]" 1
910 1 64 GLN HE22 1 67 LYS QD . . 5.500 4.021 1.870 5.569 0.069 6 0 "[ . 1 . 2]" 1
911 1 64 GLN HE22 1 68 VAL MG1 . . 5.500 4.926 4.180 5.595 0.095 15 0 "[ . 1 . 2]" 1
912 1 64 GLN HE22 1 68 VAL MG2 . . 5.500 2.606 1.916 3.288 . 0 0 "[ . 1 . 2]" 1
913 1 64 GLN HE21 1 67 LYS QD . . 5.500 4.261 2.431 5.610 0.110 11 0 "[ . 1 . 2]" 1
914 1 64 GLN HE21 1 67 LYS QB . . 5.500 3.742 2.401 5.559 0.059 7 0 "[ . 1 . 2]" 1
915 1 64 GLN HE22 1 67 LYS QB . . 5.500 3.854 2.914 4.965 . 0 0 "[ . 1 . 2]" 1
916 1 69 GLN H 1 69 GLN HE22 . . 5.500 5.313 4.997 5.501 0.001 12 0 "[ . 1 . 2]" 1
917 1 69 GLN HA 1 69 GLN HE22 . . 5.500 3.914 3.766 4.143 . 0 0 "[ . 1 . 2]" 1
918 1 69 GLN HE22 1 72 LYS QE . . 5.500 3.260 1.822 4.656 . 0 0 "[ . 1 . 2]" 1
919 1 69 GLN HA 1 69 GLN HE21 . . 5.500 3.863 3.667 4.179 . 0 0 "[ . 1 . 2]" 1
920 1 69 GLN HE21 1 72 LYS QE . . 5.500 4.319 2.935 5.560 0.060 13 0 "[ . 1 . 2]" 1
921 1 68 VAL HB 1 69 GLN HE21 . . 5.500 4.068 3.604 5.572 0.072 3 0 "[ . 1 . 2]" 1
922 1 72 LYS QD 1 74 ASN HD21 . . 5.500 4.977 2.928 5.638 0.138 3 0 "[ . 1 . 2]" 1
923 1 72 LYS QG 1 74 ASN HD21 . . 5.500 3.549 2.129 4.991 . 0 0 "[ . 1 . 2]" 1
924 1 72 LYS QD 1 74 ASN HD22 . . 5.500 4.757 3.794 5.582 0.082 19 0 "[ . 1 . 2]" 1
925 1 72 LYS QG 1 74 ASN HD22 . . 5.500 3.289 2.190 5.500 0.000 18 0 "[ . 1 . 2]" 1
926 1 28 ASN HA 1 78 ASN HD22 . . 5.500 5.496 5.199 5.609 0.109 20 0 "[ . 1 . 2]" 1
927 1 28 ASN HA 1 78 ASN HD21 . . 5.500 5.533 5.383 5.613 0.113 20 0 "[ . 1 . 2]" 1
928 1 70 ALA HA 1 78 ASN HD21 . . 5.500 5.695 5.656 5.735 0.235 12 0 "[ . 1 . 2]" 1
929 1 27 VAL HB 1 78 ASN HD21 . . 5.500 4.613 4.378 4.908 . 0 0 "[ . 1 . 2]" 1
930 1 70 ALA HA 1 78 ASN HD22 . . 5.500 5.451 5.159 5.622 0.122 20 0 "[ . 1 . 2]" 1
931 1 27 VAL HB 1 78 ASN HD22 . . 5.500 5.543 5.508 5.613 0.113 14 0 "[ . 1 . 2]" 1
932 1 59 ASN H 1 63 LYS H . . 5.110 5.070 4.907 5.162 0.052 10 0 "[ . 1 . 2]" 1
933 1 12 CYS HB2 1 14 GLU H . . 4.780 4.755 4.434 4.879 0.099 20 0 "[ . 1 . 2]" 1
934 1 25 GLU H 1 26 ARG HA . . 5.500 5.250 5.014 5.349 . 0 0 "[ . 1 . 2]" 1
935 1 28 ASN HD22 1 48 VAL HB . . 5.500 5.468 5.154 5.605 0.105 20 0 "[ . 1 . 2]" 1
936 1 27 VAL MG1 1 78 ASN HD22 . . 5.500 5.386 5.238 5.507 0.007 14 0 "[ . 1 . 2]" 1
937 1 16 SER H 1 55 VAL H . . 5.500 4.494 4.349 4.598 . 0 0 "[ . 1 . 2]" 1
938 1 12 CYS H 1 13 THR H . . 5.500 4.101 3.719 4.533 . 0 0 "[ . 1 . 2]" 1
939 1 51 ARG H 1 51 ARG QD . . 4.900 4.647 4.256 4.909 0.009 3 0 "[ . 1 . 2]" 1
940 1 49 LYS H 1 50 ARG H . . 4.680 2.818 2.513 3.006 . 0 0 "[ . 1 . 2]" 1
941 1 56 SER H 1 58 HIS H . . 5.500 4.865 4.693 5.211 . 0 0 "[ . 1 . 2]" 1
942 1 55 VAL MG1 1 56 SER H . . 4.770 2.687 1.953 3.631 . 0 0 "[ . 1 . 2]" 1
943 1 56 SER H 1 56 SER HB2 . . 3.410 2.297 2.236 2.343 . 0 0 "[ . 1 . 2]" 1
944 1 69 GLN H 1 69 GLN HG3 . . 4.100 3.725 3.560 3.854 . 0 0 "[ . 1 . 2]" 1
945 1 68 VAL HB 1 69 GLN HE22 . . 5.500 5.217 4.643 5.527 0.027 12 0 "[ . 1 . 2]" 1
946 1 72 LYS QG 1 74 ASN H . . 5.500 4.366 3.556 5.604 0.104 15 0 "[ . 1 . 2]" 1
947 1 27 VAL MG1 1 78 ASN HD21 . . 5.500 4.411 4.267 4.595 . 0 0 "[ . 1 . 2]" 1
948 1 80 CYS H 1 80 CYS HB2 . . 4.050 2.694 2.418 3.923 . 0 0 "[ . 1 . 2]" 1
949 1 12 CYS HB3 1 45 ILE H . . 5.500 5.665 5.589 5.726 0.226 14 0 "[ . 1 . 2]" 1
950 1 15 VAL H 1 54 CYS HB2 . . 5.500 4.655 4.249 4.812 . 0 0 "[ . 1 . 2]" 1
951 1 17 HIS H 1 56 SER H . . 3.950 3.055 2.737 3.209 . 0 0 "[ . 1 . 2]" 1
952 1 59 ASN H 1 59 ASN HB2 . . 3.280 2.746 2.551 2.959 . 0 0 "[ . 1 . 2]" 1
953 1 59 ASN H 1 59 ASN HB3 . . 3.280 2.467 2.342 2.555 . 0 0 "[ . 1 . 2]" 1
954 1 24 LEU H 1 25 GLU HG3 . . 5.500 5.168 4.079 5.582 0.082 1 0 "[ . 1 . 2]" 1
955 1 24 LEU H 1 25 GLU HG2 . . 5.500 4.593 3.857 5.577 0.077 20 0 "[ . 1 . 2]" 1
956 1 60 HIS H 1 61 THR H . . 4.670 2.712 2.605 2.837 . 0 0 "[ . 1 . 2]" 1
957 1 59 ASN H 1 60 HIS H . . 5.500 4.447 4.378 4.539 . 0 0 "[ . 1 . 2]" 1
958 1 28 ASN H 1 48 VAL H . . 5.500 4.717 4.550 4.897 . 0 0 "[ . 1 . 2]" 1
959 1 59 ASN HD22 1 61 THR HB . . 5.500 2.315 1.696 3.316 . 0 0 "[ . 1 . 2]" 1
960 1 5 LEU H 1 5 LEU QB . . 3.100 2.502 2.295 2.882 . 0 0 "[ . 1 . 2]" 1
961 1 34 ARG HA 1 43 ALA H . . 4.380 3.886 3.524 4.195 . 0 0 "[ . 1 . 2]" 1
962 1 34 ARG HA 1 35 ALA H . . 3.100 2.209 2.091 2.280 . 0 0 "[ . 1 . 2]" 1
963 1 35 ALA H 1 42 ALA HA . . 4.420 3.261 2.813 3.610 . 0 0 "[ . 1 . 2]" 1
964 1 31 ARG H 1 45 ILE H . . 3.830 3.181 2.972 3.446 . 0 0 "[ . 1 . 2]" 1
965 1 35 ALA H 1 41 LEU H . . 4.390 4.437 4.156 4.480 0.090 14 0 "[ . 1 . 2]" 1
966 1 44 VAL H 1 56 SER HA . . 4.250 3.595 3.292 3.849 . 0 0 "[ . 1 . 2]" 1
967 1 45 ILE HA 1 55 VAL H . . 4.630 4.045 3.806 4.397 . 0 0 "[ . 1 . 2]" 1
968 1 77 GLY H 1 78 ASN H . . 4.700 2.012 1.814 2.212 . 0 0 "[ . 1 . 2]" 1
969 1 65 TRP HE3 1 66 MET H . . 3.390 2.792 2.493 2.923 . 0 0 "[ . 1 . 2]" 1
970 1 107 PRO HD2 1 108 TYR QD . . 3.960 3.012 2.245 3.901 . 0 0 "[ . 1 . 2]" 1
971 1 18 HIS H 1 18 HIS HD2 . . 4.330 3.355 2.270 4.481 0.151 11 0 "[ . 1 . 2]" 1
972 1 30 CYS HA 1 47 HIS HD2 . . 4.450 3.977 3.567 4.217 . 0 0 "[ . 1 . 2]" 1
973 1 47 HIS HA 1 47 HIS HD2 . . 4.460 3.436 3.204 3.629 . 0 0 "[ . 1 . 2]" 1
974 1 46 LEU HA 1 47 HIS HD2 . . 5.130 3.161 2.968 3.348 . 0 0 "[ . 1 . 2]" 1
975 1 47 HIS H 1 47 HIS HD2 . . 4.180 2.464 2.259 2.593 . 0 0 "[ . 1 . 2]" 1
976 1 47 HIS HD2 1 53 ILE H . . 5.480 5.289 5.041 5.502 0.022 20 0 "[ . 1 . 2]" 1
977 1 85 HIS H 1 85 HIS HD2 . . 5.120 3.573 2.413 5.180 0.060 17 0 "[ . 1 . 2]" 1
978 1 60 HIS HD2 1 61 THR H . . 4.690 3.692 3.076 4.040 . 0 0 "[ . 1 . 2]" 1
979 1 58 HIS HA 1 58 HIS HD2 . . 4.290 3.931 3.689 4.055 . 0 0 "[ . 1 . 2]" 1
980 1 60 HIS HA 1 60 HIS HD2 . . 4.200 4.161 3.671 4.347 0.147 12 0 "[ . 1 . 2]" 1
981 1 85 HIS HB2 1 85 HIS HD2 . . 3.580 2.963 2.548 3.745 0.165 20 0 "[ . 1 . 2]" 1
982 1 85 HIS HB3 1 85 HIS HD2 . . 3.580 3.384 2.580 3.772 0.192 18 0 "[ . 1 . 2]" 1
983 1 57 PRO QD 1 58 HIS HD2 . . 3.750 2.344 2.060 2.744 . 0 0 "[ . 1 . 2]" 1
984 1 58 HIS HB2 1 58 HIS HD2 . . 3.160 2.919 2.843 3.055 . 0 0 "[ . 1 . 2]" 1
985 1 60 HIS HD2 1 61 THR HA . . 4.260 3.129 2.902 3.380 . 0 0 "[ . 1 . 2]" 1
986 1 29 MET QG 1 47 HIS HD2 . . 4.570 3.437 2.906 4.583 0.013 7 0 "[ . 1 . 2]" 1
987 1 29 MET HB3 1 47 HIS HD2 . . 4.980 2.829 2.449 3.800 . 0 0 "[ . 1 . 2]" 1
988 1 45 ILE HB 1 47 HIS HD2 . . 4.340 3.946 3.640 4.144 . 0 0 "[ . 1 . 2]" 1
989 1 47 HIS HD2 1 52 ARG QB . . 4.570 4.667 4.627 4.708 0.138 10 0 "[ . 1 . 2]" 1
990 1 47 HIS HD2 1 52 ARG HG2 . . 4.830 4.396 3.846 4.835 0.005 15 0 "[ . 1 . 2]" 1
991 1 45 ILE MG 1 47 HIS HD2 . . 3.780 2.383 2.157 2.575 . 0 0 "[ . 1 . 2]" 1
992 1 29 MET QG 1 47 HIS HE1 . . 4.640 4.450 4.105 4.710 0.070 4 0 "[ . 1 . 2]" 1
993 1 29 MET HB3 1 47 HIS HE1 . . 5.070 5.085 4.905 5.156 0.086 12 0 "[ . 1 . 2]" 1
994 1 47 HIS HE1 1 52 ARG HG3 . . 3.880 3.949 3.903 4.005 0.125 14 0 "[ . 1 . 2]" 1
995 1 47 HIS HD2 1 52 ARG HG3 . . 4.800 3.059 2.830 3.311 . 0 0 "[ . 1 . 2]" 1
996 1 57 PRO HB3 1 58 HIS HD2 . . 4.920 4.852 4.529 4.950 0.030 2 0 "[ . 1 . 2]" 1
997 1 57 PRO HG3 1 58 HIS HD2 . . 4.580 3.915 3.694 4.607 0.027 13 0 "[ . 1 . 2]" 1
998 1 57 PRO HG2 1 58 HIS HD2 . . 3.740 2.417 2.102 3.365 . 0 0 "[ . 1 . 2]" 1
999 1 60 HIS HD2 1 64 GLN QB . . 4.650 3.360 2.361 4.266 . 0 0 "[ . 1 . 2]" 1
1000 1 60 HIS HD2 1 61 THR MG . . 4.770 4.586 4.141 4.813 0.043 7 0 "[ . 1 . 2]" 1
1001 1 65 TRP HD1 1 69 GLN HE21 . . 4.280 2.728 2.204 4.320 0.040 3 0 "[ . 1 . 2]" 1
1002 1 63 LYS H 1 81 HIS HD2 . . 4.870 4.851 4.465 5.017 0.147 8 0 "[ . 1 . 2]" 1
1003 1 21 ARG HA 1 65 TRP HD1 . . 4.630 4.407 4.047 4.667 0.037 7 0 "[ . 1 . 2]" 1
1004 1 65 TRP HB3 1 65 TRP HD1 . . 3.830 3.865 3.807 3.899 0.069 9 0 "[ . 1 . 2]" 1
1005 1 65 TRP HB2 1 65 TRP HD1 . . 3.380 2.798 2.742 2.886 . 0 0 "[ . 1 . 2]" 1
1006 1 62 VAL HA 1 65 TRP HE3 . . 4.120 2.623 2.469 2.876 . 0 0 "[ . 1 . 2]" 1
1007 1 30 CYS HB2 1 65 TRP HZ3 . . 4.650 4.192 3.392 4.539 . 0 0 "[ . 1 . 2]" 1
1008 1 65 TRP HZ3 1 66 MET HG2 . . 4.580 3.084 2.728 4.140 . 0 0 "[ . 1 . 2]" 1
1009 1 65 TRP HZ2 1 69 GLN HE21 . . 5.230 5.060 3.602 5.286 0.056 13 0 "[ . 1 . 2]" 1
1010 1 27 VAL HA 1 65 TRP HZ2 . . 4.860 4.935 4.890 4.981 0.121 20 0 "[ . 1 . 2]" 1
1011 1 24 LEU HA 1 65 TRP HZ2 . . 4.670 4.455 4.118 4.696 0.026 5 0 "[ . 1 . 2]" 1
1012 1 30 CYS HB2 1 65 TRP HZ2 . . 4.800 4.412 4.004 4.809 0.009 2 0 "[ . 1 . 2]" 1
1013 1 65 TRP HZ2 1 78 ASN HB2 . . 4.620 2.580 2.316 2.849 . 0 0 "[ . 1 . 2]" 1
1014 1 30 CYS HB2 1 65 TRP HH2 . . 3.780 2.569 1.921 2.921 . 0 0 "[ . 1 . 2]" 1
1015 1 65 TRP HH2 1 78 ASN HB2 . . 4.890 3.303 3.093 3.486 . 0 0 "[ . 1 . 2]" 1
1016 1 81 HIS HB2 1 81 HIS HD2 . . 3.590 2.658 2.568 2.723 . 0 0 "[ . 1 . 2]" 1
1017 1 65 TRP HD1 1 69 GLN HG3 . . 4.260 3.610 3.484 3.752 . 0 0 "[ . 1 . 2]" 1
1018 1 21 ARG QG 1 65 TRP HD1 . . 4.370 3.333 2.588 3.766 . 0 0 "[ . 1 . 2]" 1
1019 1 65 TRP HE3 1 69 GLN HB2 . . 5.330 5.387 5.346 5.423 0.093 5 0 "[ . 1 . 2]" 1
1020 1 62 VAL MG2 1 65 TRP HE3 . . 4.130 3.504 3.351 3.643 . 0 0 "[ . 1 . 2]" 1
1021 1 62 VAL MG2 1 65 TRP HZ3 . . 3.950 4.047 4.017 4.085 0.135 14 0 "[ . 1 . 2]" 1
1022 1 24 LEU MD2 1 65 TRP HZ3 . . 4.920 3.679 3.387 4.062 . 0 0 "[ . 1 . 2]" 1
1023 1 65 TRP HZ2 1 78 ASN HB3 . . 4.620 4.138 3.925 4.425 . 0 0 "[ . 1 . 2]" 1
1024 1 27 VAL HB 1 65 TRP HZ2 . . 3.430 2.001 1.901 2.100 . 0 0 "[ . 1 . 2]" 1
1025 1 65 TRP HZ2 1 69 GLN HB3 . . 4.950 4.563 4.377 4.795 . 0 0 "[ . 1 . 2]" 1
1026 1 65 TRP HZ2 1 69 GLN HG2 . . 4.580 4.627 4.545 4.676 0.096 3 0 "[ . 1 . 2]" 1
1027 1 27 VAL MG1 1 65 TRP HZ2 . . 3.390 2.826 2.598 3.001 . 0 0 "[ . 1 . 2]" 1
1028 1 27 VAL MG2 1 65 TRP HZ2 . . 3.550 3.347 3.032 3.569 0.019 4 0 "[ . 1 . 2]" 1
1029 1 24 LEU HB3 1 65 TRP HZ2 . . 5.070 4.095 3.837 4.334 . 0 0 "[ . 1 . 2]" 1
1030 1 24 LEU MD2 1 65 TRP HZ2 . . 4.620 4.203 3.944 4.563 . 0 0 "[ . 1 . 2]" 1
1031 1 65 TRP HH2 1 78 ASN HB3 . . 4.890 4.889 4.683 4.957 0.067 4 0 "[ . 1 . 2]" 1
1032 1 27 VAL MG1 1 65 TRP HH2 . . 3.330 2.524 2.296 2.716 . 0 0 "[ . 1 . 2]" 1
1033 1 46 LEU MD1 1 65 TRP HH2 . . 4.860 4.104 3.608 4.794 . 0 0 "[ . 1 . 2]" 1
1034 1 46 LEU MD2 1 65 TRP HH2 . . 4.860 2.313 2.015 2.748 . 0 0 "[ . 1 . 2]" 1
1035 1 63 LYS QB 1 81 HIS HD2 . . 4.520 4.510 4.098 4.624 0.104 20 0 "[ . 1 . 2]" 1
1036 1 63 LYS QG 1 81 HIS HD2 . . 4.410 3.238 2.158 4.414 0.004 11 0 "[ . 1 . 2]" 1
1037 1 32 ILE MD 1 81 HIS HD2 . . 4.240 3.953 3.354 4.319 0.079 16 0 "[ . 1 . 2]" 1
1038 1 86 HIS HA 1 86 HIS HD2 . . 4.430 3.384 2.375 4.434 0.004 10 0 "[ . 1 . 2]" 1
1039 1 86 HIS QB 1 86 HIS HD2 . . 3.580 2.870 2.710 3.234 . 0 0 "[ . 1 . 2]" 1
1040 1 102 TYR HA 1 102 TYR QD . . 3.910 3.314 2.489 3.773 . 0 0 "[ . 1 . 2]" 1
1041 1 108 TYR HA 1 108 TYR QD . . 4.420 3.283 2.594 3.725 . 0 0 "[ . 1 . 2]" 1
1042 1 101 THR HA 1 102 TYR QD . . 5.050 3.791 2.993 4.474 . 0 0 "[ . 1 . 2]" 1
1043 1 108 TYR HA 1 108 TYR QE . . 5.500 5.149 4.552 5.642 0.142 10 0 "[ . 1 . 2]" 1
1044 1 101 THR HA 1 102 TYR QE . . 5.350 4.893 4.026 5.381 0.031 9 0 "[ . 1 . 2]" 1
1045 1 107 PRO HD2 1 108 TYR QE . . 5.320 3.606 2.395 5.369 0.049 20 0 "[ . 1 . 2]" 1
1046 1 18 HIS HA 1 18 HIS HD2 . . 4.910 3.922 2.497 4.581 . 0 0 "[ . 1 . 2]" 1
1047 1 30 CYS HA 1 65 TRP HH2 . . 5.350 4.413 3.979 4.725 . 0 0 "[ . 1 . 2]" 1
1048 1 24 LEU MD1 1 65 TRP HD1 . . 3.660 3.737 3.694 3.785 0.125 3 0 "[ . 1 . 2]" 1
1049 1 45 ILE MG 1 47 HIS HE1 . . 3.680 3.733 3.625 3.788 0.108 20 0 "[ . 1 . 2]" 1
1050 1 4 ILE QG 1 5 LEU H . . 5.300 3.809 1.910 4.451 . 0 0 "[ . 1 . 2]" 1
1051 1 5 LEU H 1 6 PRO QD . . 4.930 2.580 1.688 4.431 . 0 0 "[ . 1 . 2]" 1
1052 1 11 CYS QB 1 13 THR MG . . 4.630 3.524 2.381 4.717 0.087 12 0 "[ . 1 . 2]" 1
1053 1 11 CYS QB 1 33 GLN QE . . 4.680 3.660 2.793 4.769 0.089 3 0 "[ . 1 . 2]" 1
1054 1 11 CYS QB 1 39 CYS HB3 . . 4.420 3.293 2.510 4.463 0.043 17 0 "[ . 1 . 2]" 1
1055 1 12 CYS H 1 33 GLN QE . . 3.770 2.442 1.846 2.851 . 0 0 "[ . 1 . 2]" 1
1056 1 12 CYS HB2 1 33 GLN QE . . 3.850 3.128 2.451 3.650 . 0 0 "[ . 1 . 2]" 1
1057 1 12 CYS HB3 1 33 GLN QE . . 4.890 3.368 2.302 4.325 . 0 0 "[ . 1 . 2]" 1
1058 1 14 GLU H 1 41 LEU QD . . 4.270 3.669 2.892 4.191 . 0 0 "[ . 1 . 2]" 1
1059 1 14 GLU QB 1 15 VAL H . . 3.590 2.770 2.349 3.597 0.007 3 0 "[ . 1 . 2]" 1
1060 1 15 VAL H 1 15 VAL QG . . 3.220 2.313 2.212 2.452 . 0 0 "[ . 1 . 2]" 1
1061 1 15 VAL QG 1 16 SER H . . 3.830 3.214 3.119 3.379 . 0 0 "[ . 1 . 2]" 1
1062 1 15 VAL QG 1 16 SER QB . . 4.560 4.430 4.268 4.641 0.081 18 0 "[ . 1 . 2]" 1
1063 1 15 VAL QG 1 43 ALA HA . . 4.980 2.742 2.343 3.240 . 0 0 "[ . 1 . 2]" 1
1064 1 15 VAL QG 1 43 ALA MB . . 3.450 2.064 1.986 2.151 . 0 0 "[ . 1 . 2]" 1
1065 1 15 VAL QG 1 44 VAL H . . 5.440 3.217 2.921 3.398 . 0 0 "[ . 1 . 2]" 1
1066 1 15 VAL QG 1 54 CYS HB2 . . 4.290 2.935 2.620 3.459 . 0 0 "[ . 1 . 2]" 1
1067 1 15 VAL QG 1 55 VAL H . . 5.440 3.230 2.987 3.621 . 0 0 "[ . 1 . 2]" 1
1068 1 15 VAL QG 1 55 VAL HA . . 4.570 3.112 3.018 3.279 . 0 0 "[ . 1 . 2]" 1
1069 1 15 VAL QG 1 56 SER H . . 3.620 3.395 3.206 3.589 . 0 0 "[ . 1 . 2]" 1
1070 1 15 VAL QG 1 56 SER HA . . 3.980 2.794 2.608 2.970 . 0 0 "[ . 1 . 2]" 1
1071 1 15 VAL QG 1 58 HIS H . . 5.440 5.490 5.377 5.566 0.126 6 0 "[ . 1 . 2]" 1
1072 1 16 SER H 1 55 VAL QG . . 4.710 3.227 2.958 3.682 . 0 0 "[ . 1 . 2]" 1
1073 1 16 SER HA 1 55 VAL QG . . 4.960 4.702 4.482 4.999 0.039 6 0 "[ . 1 . 2]" 1
1074 1 16 SER QB 1 55 VAL QG . . 4.300 2.403 1.905 2.976 . 0 0 "[ . 1 . 2]" 1
1075 1 18 HIS H 1 56 SER QB . . 5.070 5.044 4.905 5.163 0.093 6 0 "[ . 1 . 2]" 1
1076 1 18 HIS HA 1 56 SER QB . . 4.530 4.534 4.265 4.603 0.073 13 0 "[ . 1 . 2]" 1
1077 1 18 HIS QB 1 19 ILE H . . 4.120 2.731 2.454 3.552 . 0 0 "[ . 1 . 2]" 1
1078 1 19 ILE H 1 19 ILE QG . . 4.210 4.126 4.084 4.161 . 0 0 "[ . 1 . 2]" 1
1079 1 19 ILE H 1 59 ASN QD . . 4.010 2.060 1.684 2.993 . 0 0 "[ . 1 . 2]" 1
1080 1 19 ILE HB 1 46 LEU QD . . 4.750 4.519 3.946 4.759 0.009 17 0 "[ . 1 . 2]" 1
1081 1 19 ILE HB 1 55 VAL QG . . 3.830 2.231 1.868 2.482 . 0 0 "[ . 1 . 2]" 1
1082 1 19 ILE MG 1 46 LEU QD . . 3.300 3.214 2.980 3.328 0.028 13 0 "[ . 1 . 2]" 1
1083 1 19 ILE MG 1 55 VAL QG . . 3.760 1.899 1.775 2.033 . 0 0 "[ . 1 . 2]" 1
1084 1 19 ILE MG 1 59 ASN QD . . 4.500 2.266 1.646 4.026 . 0 0 "[ . 1 . 2]" 1
1085 1 19 ILE QG 1 20 SER H . . 3.590 2.009 1.889 2.149 . 0 0 "[ . 1 . 2]" 1
1086 1 19 ILE QG 1 24 LEU MD1 . . 5.340 3.498 3.096 3.961 . 0 0 "[ . 1 . 2]" 1
1087 1 19 ILE QG 1 24 LEU MD2 . . 4.840 3.220 2.046 3.507 . 0 0 "[ . 1 . 2]" 1
1088 1 19 ILE QG 1 46 LEU QD . . 4.560 4.244 2.885 4.577 0.017 17 0 "[ . 1 . 2]" 1
1089 1 19 ILE MD 1 46 LEU QD . . 3.180 2.604 2.302 3.257 0.077 11 0 "[ . 1 . 2]" 1
1090 1 19 ILE MD 1 55 VAL QG . . 3.270 2.120 1.880 2.868 . 0 0 "[ . 1 . 2]" 1
1091 1 20 SER H 1 23 LEU QD . . 5.440 4.222 3.219 5.130 . 0 0 "[ . 1 . 2]" 1
1092 1 22 ARG HA 1 25 GLU QB . . 4.390 3.397 2.774 3.992 . 0 0 "[ . 1 . 2]" 1
1093 1 22 ARG HA 1 25 GLU QG . . 4.530 3.135 2.544 3.635 . 0 0 "[ . 1 . 2]" 1
1094 1 23 LEU H 1 23 LEU QD . . 4.220 3.749 3.694 3.803 . 0 0 "[ . 1 . 2]" 1
1095 1 23 LEU HA 1 23 LEU QD . . 3.640 2.343 2.098 2.952 . 0 0 "[ . 1 . 2]" 1
1096 1 23 LEU HA 1 25 GLU QB . . 5.340 5.028 4.694 5.272 . 0 0 "[ . 1 . 2]" 1
1097 1 23 LEU QD 1 24 LEU H . . 4.430 3.461 3.177 3.784 . 0 0 "[ . 1 . 2]" 1
1098 1 23 LEU QD 1 24 LEU HA . . 3.690 3.183 2.679 3.765 0.075 4 0 "[ . 1 . 2]" 1
1099 1 23 LEU QD 1 24 LEU HB2 . . 5.440 4.863 4.556 5.192 . 0 0 "[ . 1 . 2]" 1
1100 1 23 LEU QD 1 24 LEU HB3 . . 5.440 4.995 4.588 5.458 0.018 8 0 "[ . 1 . 2]" 1
1101 1 23 LEU QD 1 24 LEU HG . . 5.390 3.762 3.511 4.016 . 0 0 "[ . 1 . 2]" 1
1102 1 23 LEU QD 1 24 LEU MD1 . . 4.670 4.667 4.485 4.865 0.195 14 0 "[ . 1 . 2]" 1
1103 1 23 LEU QD 1 24 LEU MD2 . . 3.640 3.136 2.559 3.764 0.124 8 0 "[ . 1 . 2]" 1
1104 1 23 LEU QD 1 25 GLU H . . 4.770 4.647 4.388 4.820 0.050 1 0 "[ . 1 . 2]" 1
1105 1 23 LEU QD 1 26 ARG H . . 3.800 3.739 3.622 3.868 0.068 17 0 "[ . 1 . 2]" 1
1106 1 23 LEU QD 1 26 ARG HB2 . . 4.380 2.770 2.384 3.337 . 0 0 "[ . 1 . 2]" 1
1107 1 23 LEU QD 1 26 ARG HG3 . . 4.880 3.964 3.365 4.613 . 0 0 "[ . 1 . 2]" 1
1108 1 23 LEU QD 1 27 VAL H . . 4.080 4.111 3.792 4.237 0.157 9 0 "[ . 1 . 2]" 1
1109 1 24 LEU H 1 25 GLU QB . . 4.880 4.705 4.475 4.906 0.026 5 0 "[ . 1 . 2]" 1
1110 1 24 LEU H 1 25 GLU QG . . 4.820 4.085 3.788 4.406 . 0 0 "[ . 1 . 2]" 1
1111 1 24 LEU HA 1 46 LEU QD . . 5.440 3.354 3.032 3.793 . 0 0 "[ . 1 . 2]" 1
1112 1 24 LEU MD2 1 46 LEU QD . . 3.530 1.972 1.838 2.105 . 0 0 "[ . 1 . 2]" 1
1113 1 25 GLU H 1 25 GLU QB . . 3.140 2.444 2.236 2.695 . 0 0 "[ . 1 . 2]" 1
1114 1 25 GLU H 1 25 GLU QG . . 3.280 2.078 1.841 2.419 . 0 0 "[ . 1 . 2]" 1
1115 1 25 GLU HA 1 25 GLU QG . . 3.700 2.698 2.289 3.151 . 0 0 "[ . 1 . 2]" 1
1116 1 25 GLU QB 1 26 ARG H . . 3.390 3.093 2.911 3.316 . 0 0 "[ . 1 . 2]" 1
1117 1 25 GLU QB 1 26 ARG HG2 . . 4.200 4.016 2.943 4.261 0.061 5 0 "[ . 1 . 2]" 1
1118 1 25 GLU QB 1 26 ARG HG3 . . 4.460 3.347 2.811 4.390 . 0 0 "[ . 1 . 2]" 1
1119 1 25 GLU QB 1 65 TRP HD1 . . 4.290 4.405 4.167 4.507 0.217 9 0 "[ . 1 . 2]" 1
1120 1 25 GLU QB 1 65 TRP HE1 . . 4.830 4.265 3.926 4.511 . 0 0 "[ . 1 . 2]" 1
1121 1 25 GLU QG 1 65 TRP HD1 . . 4.910 2.885 2.153 3.873 . 0 0 "[ . 1 . 2]" 1
1122 1 25 GLU QG 1 65 TRP HE1 . . 5.340 3.839 2.887 4.606 . 0 0 "[ . 1 . 2]" 1
1123 1 26 ARG HB3 1 48 VAL QG . . 4.150 2.605 2.181 3.116 . 0 0 "[ . 1 . 2]" 1
1124 1 26 ARG QD 1 48 VAL QG . . 4.790 3.375 2.883 4.290 . 0 0 "[ . 1 . 2]" 1
1125 1 27 VAL H 1 48 VAL QG . . 4.500 3.592 3.345 3.874 . 0 0 "[ . 1 . 2]" 1
1126 1 27 VAL MG2 1 48 VAL QG . . 3.050 2.139 1.820 2.455 . 0 0 "[ . 1 . 2]" 1
1127 1 28 ASN H 1 48 VAL QG . . 3.870 3.575 3.381 3.766 . 0 0 "[ . 1 . 2]" 1
1128 1 28 ASN HD21 1 48 VAL QG . . 5.440 3.651 3.252 3.967 . 0 0 "[ . 1 . 2]" 1
1129 1 28 ASN HD21 1 49 LYS QG . . 5.340 3.182 2.404 4.153 . 0 0 "[ . 1 . 2]" 1
1130 1 28 ASN HD22 1 48 VAL QG . . 5.440 3.704 3.034 4.376 . 0 0 "[ . 1 . 2]" 1
1131 1 29 MET H 1 46 LEU QD . . 5.220 4.828 4.562 5.098 . 0 0 "[ . 1 . 2]" 1
1132 1 30 CYS H 1 46 LEU QD . . 5.440 4.757 4.412 5.122 . 0 0 "[ . 1 . 2]" 1
1133 1 30 CYS HA 1 46 LEU QD . . 4.880 2.526 2.178 2.865 . 0 0 "[ . 1 . 2]" 1
1134 1 30 CYS HB2 1 44 VAL QG . . 5.210 4.184 3.938 4.534 . 0 0 "[ . 1 . 2]" 1
1135 1 30 CYS HB2 1 46 LEU QD . . 4.590 2.834 2.571 3.297 . 0 0 "[ . 1 . 2]" 1
1136 1 30 CYS HB3 1 46 LEU QD . . 5.440 4.070 3.750 4.516 . 0 0 "[ . 1 . 2]" 1
1137 1 31 ARG H 1 31 ARG QG . . 5.000 4.092 3.958 4.319 . 0 0 "[ . 1 . 2]" 1
1138 1 31 ARG H 1 44 VAL QG . . 4.190 3.380 3.113 3.614 . 0 0 "[ . 1 . 2]" 1
1139 1 31 ARG H 1 45 ILE QG . . 5.340 4.374 4.007 5.148 . 0 0 "[ . 1 . 2]" 1
1140 1 31 ARG H 1 46 LEU QD . . 5.440 3.551 3.248 3.897 . 0 0 "[ . 1 . 2]" 1
1141 1 31 ARG HA 1 31 ARG QD . . 4.670 3.501 2.091 4.293 . 0 0 "[ . 1 . 2]" 1
1142 1 31 ARG QB 1 31 ARG QD . . 3.370 2.316 2.116 2.836 . 0 0 "[ . 1 . 2]" 1
1143 1 31 ARG QG 1 32 ILE H . . 4.230 2.850 2.303 3.558 . 0 0 "[ . 1 . 2]" 1
1144 1 31 ARG QG 1 33 GLN H . . 5.340 4.092 3.708 5.405 0.065 19 0 "[ . 1 . 2]" 1
1145 1 31 ARG QD 1 32 ILE H . . 5.040 3.808 2.018 4.875 . 0 0 "[ . 1 . 2]" 1
1146 1 31 ARG QD 1 45 ILE H . . 5.340 5.170 4.471 5.430 0.090 5 0 "[ . 1 . 2]" 1
1147 1 32 ILE H 1 32 ILE QG . . 3.630 2.578 2.518 2.711 . 0 0 "[ . 1 . 2]" 1
1148 1 32 ILE QG 1 33 GLN H . . 4.860 4.538 3.820 4.778 . 0 0 "[ . 1 . 2]" 1
1149 1 32 ILE QG 1 80 CYS HB2 . . 4.830 2.897 1.935 3.302 . 0 0 "[ . 1 . 2]" 1
1150 1 32 ILE QG 1 80 CYS HB3 . . 4.840 2.226 1.823 3.521 . 0 0 "[ . 1 . 2]" 1
1151 1 33 GLN H 1 33 GLN QG . . 4.240 3.894 3.830 3.939 . 0 0 "[ . 1 . 2]" 1
1152 1 33 GLN H 1 44 VAL QG . . 5.280 3.990 3.834 4.139 . 0 0 "[ . 1 . 2]" 1
1153 1 33 GLN H 1 45 ILE QG . . 4.230 3.372 2.812 4.386 0.156 19 0 "[ . 1 . 2]" 1
1154 1 33 GLN QG 1 41 LEU H . . 5.300 3.596 3.233 3.969 . 0 0 "[ . 1 . 2]" 1
1155 1 33 GLN QG 1 45 ILE MD . . 5.340 3.446 3.135 3.873 . 0 0 "[ . 1 . 2]" 1
1156 1 33 GLN QE 1 39 CYS HB3 . . 4.110 3.536 2.768 3.945 . 0 0 "[ . 1 . 2]" 1
1157 1 33 GLN QE 1 41 LEU H . . 4.160 3.402 2.874 4.176 0.016 19 0 "[ . 1 . 2]" 1
1158 1 33 GLN QE 1 41 LEU QB . . 3.960 2.463 2.039 3.025 . 0 0 "[ . 1 . 2]" 1
1159 1 33 GLN QE 1 41 LEU QD . . 4.850 2.695 2.134 3.025 . 0 0 "[ . 1 . 2]" 1
1160 1 33 GLN QE 1 43 ALA HA . . 5.230 4.657 4.426 5.245 0.015 5 0 "[ . 1 . 2]" 1
1161 1 34 ARG H 1 34 ARG QG . . 3.320 2.091 1.867 2.290 . 0 0 "[ . 1 . 2]" 1
1162 1 34 ARG HA 1 34 ARG QG . . 3.660 3.317 3.259 3.361 . 0 0 "[ . 1 . 2]" 1
1163 1 34 ARG HB3 1 34 ARG QG . . 2.580 2.353 2.320 2.456 . 0 0 "[ . 1 . 2]" 1
1164 1 34 ARG QG 1 35 ALA H . . 3.790 3.822 3.709 3.915 0.125 2 0 "[ . 1 . 2]" 1
1165 1 34 ARG QG 1 36 ASP HB2 . . 5.330 3.329 2.446 4.358 . 0 0 "[ . 1 . 2]" 1
1166 1 36 ASP H 1 37 GLY QA . . 5.290 3.839 3.617 4.360 . 0 0 "[ . 1 . 2]" 1
1167 1 37 GLY QA 1 39 CYS H . . 4.780 4.605 3.796 4.864 0.084 7 0 "[ . 1 . 2]" 1
1168 1 40 ASP QB 1 41 LEU QD . . 5.220 4.669 4.417 5.036 . 0 0 "[ . 1 . 2]" 1
1169 1 41 LEU H 1 41 LEU QD . . 4.230 3.977 3.794 4.119 . 0 0 "[ . 1 . 2]" 1
1170 1 41 LEU HA 1 41 LEU QD . . 3.660 2.468 2.089 3.050 . 0 0 "[ . 1 . 2]" 1
1171 1 41 LEU QD 1 42 ALA H . . 3.820 2.382 2.185 2.596 . 0 0 "[ . 1 . 2]" 1
1172 1 44 VAL H 1 44 VAL QG . . 3.440 2.379 2.277 2.471 . 0 0 "[ . 1 . 2]" 1
1173 1 44 VAL H 1 55 VAL QG . . 4.650 3.902 3.175 4.470 . 0 0 "[ . 1 . 2]" 1
1174 1 44 VAL HA 1 45 ILE QG . . 5.340 3.552 3.394 4.654 . 0 0 "[ . 1 . 2]" 1
1175 1 44 VAL QG 1 45 ILE H . . 3.490 2.946 2.859 3.026 . 0 0 "[ . 1 . 2]" 1
1176 1 44 VAL QG 1 45 ILE HA . . 5.440 4.033 3.949 4.088 . 0 0 "[ . 1 . 2]" 1
1177 1 44 VAL QG 1 46 LEU H . . 4.540 4.076 3.975 4.147 . 0 0 "[ . 1 . 2]" 1
1178 1 44 VAL QG 1 46 LEU HG . . 4.540 2.295 2.054 2.530 . 0 0 "[ . 1 . 2]" 1
1179 1 44 VAL QG 1 57 PRO HB2 . . 4.680 3.538 3.323 3.815 . 0 0 "[ . 1 . 2]" 1
1180 1 44 VAL QG 1 57 PRO HB3 . . 4.220 2.284 2.056 2.716 . 0 0 "[ . 1 . 2]" 1
1181 1 44 VAL QG 1 57 PRO HG3 . . 3.930 3.201 2.168 3.663 . 0 0 "[ . 1 . 2]" 1
1182 1 44 VAL QG 1 58 HIS H . . 5.300 4.324 4.161 4.461 . 0 0 "[ . 1 . 2]" 1
1183 1 44 VAL QG 1 65 TRP HZ3 . . 5.160 3.274 2.945 3.442 . 0 0 "[ . 1 . 2]" 1
1184 1 45 ILE H 1 45 ILE QG . . 3.550 2.114 1.924 3.205 . 0 0 "[ . 1 . 2]" 1
1185 1 45 ILE MG 1 52 ARG QD . . 4.280 2.000 1.851 2.419 . 0 0 "[ . 1 . 2]" 1
1186 1 45 ILE MD 1 52 ARG QD . . 5.090 3.805 3.450 5.152 0.062 19 0 "[ . 1 . 2]" 1
1187 1 46 LEU H 1 46 LEU QD . . 4.310 3.371 3.277 3.436 . 0 0 "[ . 1 . 2]" 1
1188 1 46 LEU HA 1 46 LEU QD . . 3.950 2.073 2.028 2.121 . 0 0 "[ . 1 . 2]" 1
1189 1 46 LEU QD 1 47 HIS H . . 3.910 3.610 3.539 3.707 . 0 0 "[ . 1 . 2]" 1
1190 1 46 LEU QD 1 53 ILE H . . 5.080 4.396 4.194 4.542 . 0 0 "[ . 1 . 2]" 1
1191 1 46 LEU QD 1 54 CYS H . . 5.440 4.949 4.532 5.272 . 0 0 "[ . 1 . 2]" 1
1192 1 46 LEU QD 1 55 VAL H . . 5.440 3.634 3.459 3.814 . 0 0 "[ . 1 . 2]" 1
1193 1 46 LEU QD 1 55 VAL HB . . 5.350 3.161 2.487 4.150 . 0 0 "[ . 1 . 2]" 1
1194 1 46 LEU QD 1 65 TRP HZ3 . . 3.700 2.662 2.451 2.929 . 0 0 "[ . 1 . 2]" 1
1195 1 46 LEU QD 1 65 TRP HZ2 . . 4.210 3.595 3.381 3.823 . 0 0 "[ . 1 . 2]" 1
1196 1 46 LEU QD 1 65 TRP HH2 . . 3.450 2.300 2.005 2.732 . 0 0 "[ . 1 . 2]" 1
1197 1 47 HIS HA 1 48 VAL QG . . 4.780 3.348 3.122 3.503 . 0 0 "[ . 1 . 2]" 1
1198 1 47 HIS HE1 1 52 ARG QD . . 3.430 2.917 2.519 3.473 0.043 10 0 "[ . 1 . 2]" 1
1199 1 48 VAL H 1 48 VAL QG . . 3.530 2.453 2.329 2.542 . 0 0 "[ . 1 . 2]" 1
1200 1 48 VAL QG 1 49 LYS H . . 3.690 2.148 2.047 2.230 . 0 0 "[ . 1 . 2]" 1
1201 1 48 VAL QG 1 49 LYS HB2 . . 3.530 3.384 2.942 3.564 0.034 14 0 "[ . 1 . 2]" 1
1202 1 48 VAL QG 1 49 LYS HB3 . . 5.110 4.622 4.280 4.750 . 0 0 "[ . 1 . 2]" 1
1203 1 48 VAL QG 1 49 LYS QG . . 3.830 3.636 3.216 3.847 0.017 8 0 "[ . 1 . 2]" 1
1204 1 48 VAL QG 1 52 ARG QB . . 4.840 4.904 4.733 4.940 0.100 12 0 "[ . 1 . 2]" 1
1205 1 48 VAL QG 1 53 ILE H . . 3.790 3.231 2.629 3.732 . 0 0 "[ . 1 . 2]" 1
1206 1 49 LYS H 1 49 LYS QG . . 4.000 2.191 2.021 2.316 . 0 0 "[ . 1 . 2]" 1
1207 1 49 LYS HA 1 49 LYS QG . . 3.730 2.705 2.355 3.073 . 0 0 "[ . 1 . 2]" 1
1208 1 50 ARG H 1 50 ARG QG . . 3.930 2.709 1.992 3.982 0.052 5 0 "[ . 1 . 2]" 1
1209 1 50 ARG HA 1 50 ARG QG . . 3.560 2.924 2.318 3.400 . 0 0 "[ . 1 . 2]" 1
1210 1 50 ARG QB 1 50 ARG QD . . 3.380 2.266 2.057 2.361 . 0 0 "[ . 1 . 2]" 1
1211 1 50 ARG QB 1 51 ARG H . . 4.020 3.230 2.642 3.822 . 0 0 "[ . 1 . 2]" 1
1212 1 50 ARG QG 1 51 ARG H . . 3.780 3.203 2.438 3.952 0.172 15 0 "[ . 1 . 2]" 1
1213 1 52 ARG QD 1 53 ILE H . . 5.340 5.002 4.660 5.222 . 0 0 "[ . 1 . 2]" 1
1214 1 53 ILE H 1 53 ILE QG . . 3.770 3.326 2.604 3.768 . 0 0 "[ . 1 . 2]" 1
1215 1 53 ILE HA 1 53 ILE QG . . 3.190 2.431 2.335 2.945 . 0 0 "[ . 1 . 2]" 1
1216 1 53 ILE QG 1 54 CYS H . . 4.140 3.929 3.831 4.291 0.151 8 0 "[ . 1 . 2]" 1
1217 1 54 CYS HA 1 55 VAL QG . . 4.750 3.406 3.190 3.678 . 0 0 "[ . 1 . 2]" 1
1218 1 54 CYS HB3 1 55 VAL QG . . 5.440 4.649 4.259 4.841 . 0 0 "[ . 1 . 2]" 1
1219 1 55 VAL H 1 55 VAL QG . . 3.470 2.460 2.126 2.741 . 0 0 "[ . 1 . 2]" 1
1220 1 55 VAL QG 1 56 SER H . . 3.600 2.293 1.785 3.108 . 0 0 "[ . 1 . 2]" 1
1221 1 56 SER QB 1 58 HIS HB2 . . 4.630 3.006 2.677 3.509 . 0 0 "[ . 1 . 2]" 1
1222 1 56 SER QB 1 58 HIS HB3 . . 5.340 4.564 4.250 5.011 . 0 0 "[ . 1 . 2]" 1
1223 1 59 ASN QB 1 62 VAL HB . . 4.510 2.622 2.123 2.983 . 0 0 "[ . 1 . 2]" 1
1224 1 59 ASN QB 1 62 VAL MG1 . . 5.340 3.867 3.337 4.191 . 0 0 "[ . 1 . 2]" 1
1225 1 59 ASN QB 1 62 VAL MG2 . . 4.610 2.494 2.216 2.796 . 0 0 "[ . 1 . 2]" 1
1226 1 59 ASN QD 1 60 HIS H . . 5.340 4.184 2.424 4.822 . 0 0 "[ . 1 . 2]" 1
1227 1 59 ASN QD 1 61 THR H . . 4.700 3.169 2.527 4.052 . 0 0 "[ . 1 . 2]" 1
1228 1 59 ASN QD 1 61 THR HB . . 4.850 2.278 1.685 3.249 . 0 0 "[ . 1 . 2]" 1
1229 1 59 ASN QD 1 62 VAL H . . 4.600 3.228 2.647 4.188 . 0 0 "[ . 1 . 2]" 1
1230 1 60 HIS QB 1 60 HIS HD2 . . 3.240 2.774 2.553 3.027 . 0 0 "[ . 1 . 2]" 1
1231 1 60 HIS QB 1 61 THR H . . 3.680 3.041 2.505 3.636 . 0 0 "[ . 1 . 2]" 1
1232 1 60 HIS QB 1 62 VAL H . . 5.230 4.998 4.716 5.242 0.012 15 0 "[ . 1 . 2]" 1
1233 1 60 HIS HD2 1 64 GLN QG . . 4.560 4.089 3.125 4.663 0.103 2 0 "[ . 1 . 2]" 1
1234 1 61 THR HA 1 64 GLN QG . . 5.340 4.082 3.412 4.708 . 0 0 "[ . 1 . 2]" 1
1235 1 62 VAL MG1 1 66 MET QG . . 4.330 2.583 2.173 3.039 . 0 0 "[ . 1 . 2]" 1
1236 1 64 GLN HA 1 64 GLN QE . . 5.340 3.124 2.460 3.794 . 0 0 "[ . 1 . 2]" 1
1237 1 64 GLN QG 1 65 TRP H . . 4.500 3.990 3.356 4.510 0.010 18 0 "[ . 1 . 2]" 1
1238 1 64 GLN QG 1 68 VAL QG . . 4.530 3.780 2.839 4.565 0.035 18 0 "[ . 1 . 2]" 1
1239 1 64 GLN QE 1 65 TRP H . . 5.040 4.611 3.285 5.133 0.093 11 0 "[ . 1 . 2]" 1
1240 1 64 GLN QE 1 67 LYS QG . . 5.070 3.870 2.613 5.149 0.079 10 0 "[ . 1 . 2]" 1
1241 1 64 GLN QE 1 67 LYS QD . . 4.790 3.508 1.860 4.539 . 0 0 "[ . 1 . 2]" 1
1242 1 64 GLN QE 1 68 VAL H . . 5.320 4.039 3.263 4.590 . 0 0 "[ . 1 . 2]" 1
1243 1 64 GLN QE 1 68 VAL HA . . 5.150 4.853 4.335 5.189 0.039 15 0 "[ . 1 . 2]" 1
1244 1 64 GLN QE 1 68 VAL QG . . 4.180 2.196 1.891 2.538 . 0 0 "[ . 1 . 2]" 1
1245 1 65 TRP HA 1 68 VAL QG . . 4.530 3.032 2.756 3.303 . 0 0 "[ . 1 . 2]" 1
1246 1 65 TRP HB2 1 68 VAL QG . . 5.440 4.730 4.482 5.029 . 0 0 "[ . 1 . 2]" 1
1247 1 65 TRP HE3 1 66 MET QG . . 3.270 2.245 2.015 3.273 0.003 20 0 "[ . 1 . 2]" 1
1248 1 65 TRP HZ3 1 66 MET QG . . 4.020 2.872 2.461 3.868 . 0 0 "[ . 1 . 2]" 1
1249 1 66 MET H 1 66 MET QG . . 3.330 2.316 2.075 2.487 . 0 0 "[ . 1 . 2]" 1
1250 1 66 MET QG 1 67 LYS H . . 4.530 4.115 2.777 4.440 . 0 0 "[ . 1 . 2]" 1
1251 1 66 MET QG 1 80 CYS H . . 5.340 3.415 2.415 4.433 . 0 0 "[ . 1 . 2]" 1
1252 1 67 LYS H 1 67 LYS QG . . 3.770 3.364 2.124 3.857 0.087 6 0 "[ . 1 . 2]" 1
1253 1 67 LYS HA 1 67 LYS QG . . 3.580 2.689 2.360 3.400 . 0 0 "[ . 1 . 2]" 1
1254 1 67 LYS QG 1 68 VAL H . . 5.340 3.779 2.394 4.473 . 0 0 "[ . 1 . 2]" 1
1255 1 68 VAL H 1 68 VAL QG . . 3.260 2.129 1.994 2.237 . 0 0 "[ . 1 . 2]" 1
1256 1 68 VAL QG 1 69 GLN H . . 4.080 3.181 3.091 3.299 . 0 0 "[ . 1 . 2]" 1
1257 1 68 VAL QG 1 69 GLN HA . . 5.440 3.452 3.256 3.595 . 0 0 "[ . 1 . 2]" 1
1258 1 68 VAL QG 1 69 GLN HG2 . . 4.980 3.717 3.404 3.994 . 0 0 "[ . 1 . 2]" 1
1259 1 68 VAL QG 1 69 GLN HE21 . . 5.410 3.744 3.288 5.095 . 0 0 "[ . 1 . 2]" 1
1260 1 68 VAL QG 1 69 GLN HE22 . . 5.280 4.150 3.617 4.567 . 0 0 "[ . 1 . 2]" 1
1261 1 68 VAL QG 1 71 ALA H . . 5.440 4.376 4.257 4.635 . 0 0 "[ . 1 . 2]" 1
1262 1 68 VAL QG 1 72 LYS QE . . 4.500 4.107 2.571 4.588 0.088 13 0 "[ . 1 . 2]" 1
1263 1 72 LYS QB 1 74 ASN QD . . 5.340 2.443 1.781 3.356 . 0 0 "[ . 1 . 2]" 1
1264 1 73 LYS QB 1 73 LYS QD . . 2.620 2.223 2.065 2.356 . 0 0 "[ . 1 . 2]" 1
1265 1 74 ASN QD 1 75 GLY QA . . 5.180 4.744 3.518 5.378 0.198 12 0 "[ . 1 . 2]" 1
1266 1 76 LYS QB 1 76 LYS QE . . 3.160 2.263 1.905 3.370 0.210 20 0 "[ . 1 . 2]" 1
1267 1 76 LYS QB 1 77 GLY H . . 4.290 3.466 1.838 3.747 . 0 0 "[ . 1 . 2]" 1
1268 1 76 LYS QB 1 77 GLY QA . . 5.110 4.072 3.454 4.285 . 0 0 "[ . 1 . 2]" 1
1269 1 76 LYS QB 1 79 VAL HB . . 3.120 2.506 1.890 3.156 0.036 20 0 "[ . 1 . 2]" 1
1270 1 81 HIS H 1 81 HIS QB . . 3.660 2.555 2.467 3.266 . 0 0 "[ . 1 . 2]" 1
1271 1 81 HIS QB 1 81 HIS HD2 . . 3.120 2.593 2.517 2.646 . 0 0 "[ . 1 . 2]" 1
1272 1 83 LYS QB 1 84 LYS H . . 4.190 3.332 2.042 4.041 . 0 0 "[ . 1 . 2]" 1
1273 1 85 HIS QB 1 85 HIS HD2 . . 2.990 2.581 2.503 2.999 0.009 8 0 "[ . 1 . 2]" 1
1274 1 105 LYS QB 1 105 LYS QD . . 3.420 2.215 2.098 2.377 . 0 0 "[ . 1 . 2]" 1
1275 1 107 PRO QG 1 108 TYR H . . 4.640 3.539 2.525 4.195 . 0 0 "[ . 1 . 2]" 1
1276 1 107 PRO QG 1 108 TYR QD . . 4.470 2.803 1.989 3.840 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 9
_Distance_constraint_stats_list.Viol_count 11
_Distance_constraint_stats_list.Viol_total 3.475
_Distance_constraint_stats_list.Viol_max 0.044
_Distance_constraint_stats_list.Viol_rms 0.0047
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0158
_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 11 CYS 0.095 0.023 9 0 "[ . 1 . 2]"
1 12 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 CYS 0.079 0.044 20 0 "[ . 1 . 2]"
1 39 CYS 0.095 0.023 9 0 "[ . 1 . 2]"
1 54 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 CYS 0.079 0.044 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 CYS SG 1 39 CYS SG . . 2.100 2.024 2.009 2.034 . 0 0 "[ . 1 . 2]" 2
2 1 11 CYS SG 1 39 CYS CB . . 3.100 3.074 3.012 3.123 0.023 9 0 "[ . 1 . 2]" 2
3 1 11 CYS CB 1 39 CYS SG . . 3.100 3.030 2.985 3.088 . 0 0 "[ . 1 . 2]" 2
4 1 12 CYS SG 1 54 CYS SG . . 2.100 2.024 2.006 2.038 . 0 0 "[ . 1 . 2]" 2
5 1 12 CYS SG 1 54 CYS CB . . 3.100 3.051 2.992 3.093 . 0 0 "[ . 1 . 2]" 2
6 1 12 CYS CB 1 54 CYS SG . . 3.100 3.020 2.979 3.069 . 0 0 "[ . 1 . 2]" 2
7 1 30 CYS SG 1 80 CYS SG . . 2.100 2.034 2.023 2.043 . 0 0 "[ . 1 . 2]" 2
8 1 30 CYS SG 1 80 CYS CB . . 3.100 3.072 3.041 3.114 0.014 20 0 "[ . 1 . 2]" 2
9 1 30 CYS CB 1 80 CYS SG . . 3.100 3.049 3.000 3.144 0.044 20 0 "[ . 1 . 2]" 2
stop_
save_
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