NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508978 |
2ysl   |
11234 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ysl
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 26
_Distance_constraint_stats_list.Viol_count 143
_Distance_constraint_stats_list.Viol_total 5.132
_Distance_constraint_stats_list.Viol_max 0.011
_Distance_constraint_stats_list.Viol_rms 0.0012
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0018
_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 23 CYS 0.035 0.003 12 0 "[ . 1 . 2]"
1 26 CYS 0.019 0.002 5 0 "[ . 1 . 2]"
1 38 CYS 0.069 0.010 19 0 "[ . 1 . 2]"
1 40 HIS 0.010 0.003 15 0 "[ . 1 . 2]"
1 43 CYS 0.061 0.005 9 0 "[ . 1 . 2]"
1 46 CYS 0.075 0.005 9 0 "[ . 1 . 2]"
1 60 CYS 0.027 0.003 8 0 "[ . 1 . 2]"
1 63 CYS 0.058 0.011 19 0 "[ . 1 . 2]"
2 1 ZN 0.028 0.003 12 0 "[ . 1 . 2]"
3 1 ZN 0.131 0.011 19 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 23 CYS SG 2 1 ZN ZN . 2.250 2.350 2.343 2.304 2.353 0.003 12 0 "[ . 1 . 2]" 1
2 1 26 CYS SG 2 1 ZN ZN . 2.250 2.350 2.326 2.269 2.351 0.001 12 0 "[ . 1 . 2]" 1
3 1 43 CYS SG 2 1 ZN ZN . 2.250 2.350 2.298 2.249 2.350 0.001 20 0 "[ . 1 . 2]" 1
4 1 46 CYS SG 2 1 ZN ZN . 2.250 2.350 2.262 2.248 2.301 0.002 5 0 "[ . 1 . 2]" 1
5 1 23 CYS CB 2 1 ZN ZN . 3.220 3.520 3.224 3.217 3.256 0.003 12 0 "[ . 1 . 2]" 1
6 1 26 CYS CB 2 1 ZN ZN . 3.220 3.520 3.478 3.359 3.521 0.001 7 0 "[ . 1 . 2]" 1
7 1 43 CYS CB 2 1 ZN ZN . 3.220 3.520 3.365 3.253 3.418 . 0 0 "[ . 1 . 2]" 1
8 1 23 CYS SG 1 26 CYS SG . 3.650 3.850 3.733 3.673 3.836 . 0 0 "[ . 1 . 2]" 1
9 1 23 CYS SG 1 43 CYS SG . 3.650 3.850 3.842 3.763 3.852 0.002 18 0 "[ . 1 . 2]" 1
10 1 23 CYS SG 1 46 CYS SG . 3.650 3.850 3.829 3.749 3.852 0.002 14 0 "[ . 1 . 2]" 1
11 1 26 CYS SG 1 43 CYS SG . 3.650 3.850 3.707 3.648 3.821 0.002 5 0 "[ . 1 . 2]" 1
12 1 26 CYS SG 1 46 CYS SG . 3.650 3.850 3.835 3.678 3.852 0.002 19 0 "[ . 1 . 2]" 1
13 1 43 CYS SG 1 46 CYS SG . 3.650 3.850 3.648 3.645 3.652 0.005 9 0 "[ . 1 . 2]" 1
14 1 38 CYS SG 3 1 ZN ZN . 2.250 2.350 2.350 2.323 2.360 0.010 19 0 "[ . 1 . 2]" 1
15 1 60 CYS SG 3 1 ZN ZN . 2.250 2.350 2.347 2.309 2.353 0.003 15 0 "[ . 1 . 2]" 1
16 1 63 CYS SG 3 1 ZN ZN . 2.250 2.350 2.259 2.247 2.294 0.003 19 0 "[ . 1 . 2]" 1
17 1 40 HIS ND1 3 1 ZN ZN . . 2.050 2.020 1.975 2.053 0.003 15 0 "[ . 1 . 2]" 1
18 1 38 CYS CB 3 1 ZN ZN . 3.220 3.520 3.228 3.214 3.271 0.006 19 0 "[ . 1 . 2]" 1
19 1 60 CYS CB 3 1 ZN ZN . 3.220 3.520 3.323 3.217 3.438 0.003 5 0 "[ . 1 . 2]" 1
20 1 63 CYS CB 3 1 ZN ZN . 3.220 3.520 3.521 3.512 3.531 0.011 19 0 "[ . 1 . 2]" 1
21 1 38 CYS SG 1 60 CYS SG . 3.650 3.850 3.702 3.648 3.831 0.002 19 0 "[ . 1 . 2]" 1
22 1 38 CYS SG 1 63 CYS SG . 3.650 3.850 3.757 3.699 3.807 . 0 0 "[ . 1 . 2]" 1
23 1 38 CYS SG 1 40 HIS ND1 . 3.500 3.700 3.553 3.498 3.684 0.002 14 0 "[ . 1 . 2]" 1
24 1 60 CYS SG 1 63 CYS SG . 3.650 3.850 3.752 3.649 3.853 0.003 8 0 "[ . 1 . 2]" 1
25 1 40 HIS ND1 1 60 CYS SG . 3.500 3.700 3.557 3.499 3.673 0.001 2 0 "[ . 1 . 2]" 1
26 1 40 HIS ND1 1 63 CYS SG . 3.500 3.700 3.635 3.560 3.699 . 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 788
_Distance_constraint_stats_list.Viol_count 349
_Distance_constraint_stats_list.Viol_total 809.290
_Distance_constraint_stats_list.Viol_max 0.813
_Distance_constraint_stats_list.Viol_rms 0.0282
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.1159
_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 8 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASN 0.090 0.067 11 0 "[ . 1 . 2]"
1 16 LYS 0.172 0.067 11 0 "[ . 1 . 2]"
1 17 LEU 0.565 0.178 3 0 "[ . 1 . 2]"
1 18 GLN 0.344 0.177 20 0 "[ . 1 . 2]"
1 19 GLU 1.532 0.239 14 0 "[ . 1 . 2]"
1 20 GLU 6.767 0.518 3 1 "[ + . 1 . 2]"
1 21 VAL 5.271 0.518 3 1 "[ + . 1 . 2]"
1 22 ILE 0.113 0.057 10 0 "[ . 1 . 2]"
1 23 CYS 0.040 0.017 15 0 "[ . 1 . 2]"
1 24 PRO 0.033 0.024 5 0 "[ . 1 . 2]"
1 25 ILE 0.044 0.024 5 0 "[ . 1 . 2]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.054 0.017 15 0 "[ . 1 . 2]"
1 28 ASP 0.001 0.001 7 0 "[ . 1 . 2]"
1 29 ILE 0.013 0.004 15 0 "[ . 1 . 2]"
1 30 LEU 6.035 0.259 5 0 "[ . 1 . 2]"
1 31 GLN 0.039 0.025 6 0 "[ . 1 . 2]"
1 32 LYS 0.039 0.025 6 0 "[ . 1 . 2]"
1 33 PRO 1.881 0.259 5 0 "[ . 1 . 2]"
1 34 VAL 3.873 0.358 16 0 "[ . 1 . 2]"
1 35 THR 5.054 0.358 16 0 "[ . 1 . 2]"
1 36 ILE 1.917 0.129 15 0 "[ . 1 . 2]"
1 37 ASP 0.012 0.007 9 0 "[ . 1 . 2]"
1 38 CYS 5.632 0.813 10 4 "[ - + ** 2]"
1 39 GLY 1.298 0.240 3 0 "[ . 1 . 2]"
1 40 HIS 0.267 0.040 14 0 "[ . 1 . 2]"
1 41 ASN 0.614 0.147 16 0 "[ . 1 . 2]"
1 42 PHE 0.265 0.173 1 0 "[ . 1 . 2]"
1 43 CYS 4.132 0.235 9 0 "[ . 1 . 2]"
1 44 LEU 0.692 0.125 8 0 "[ . 1 . 2]"
1 45 LYS 0.141 0.058 13 0 "[ . 1 . 2]"
1 46 CYS 0.050 0.039 13 0 "[ . 1 . 2]"
1 47 ILE 0.731 0.125 8 0 "[ . 1 . 2]"
1 48 THR 0.192 0.058 13 0 "[ . 1 . 2]"
1 49 GLN 0.050 0.039 13 0 "[ . 1 . 2]"
1 50 ILE 0.721 0.220 13 0 "[ . 1 . 2]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLU 0.154 0.064 4 0 "[ . 1 . 2]"
1 53 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 0.042 0.021 14 0 "[ . 1 . 2]"
1 57 PHE 0.042 0.021 14 0 "[ . 1 . 2]"
1 58 PHE 5.979 0.629 11 7 "[ ** . *- 1+ . **2]"
1 59 LYS 0.005 0.004 19 0 "[ . 1 . 2]"
1 60 CYS 6.259 0.629 11 7 "[ ** . *- 1+ . **2]"
1 61 PRO 0.714 0.220 13 0 "[ . 1 . 2]"
1 62 LEU 0.173 0.173 1 0 "[ . 1 . 2]"
1 63 CYS 0.018 0.007 2 0 "[ . 1 . 2]"
1 64 LYS 0.022 0.011 6 0 "[ . 1 . 2]"
1 65 THR 3.721 0.813 10 4 "[ - + ** 2]"
1 67 VAL 0.065 0.062 11 0 "[ . 1 . 2]"
1 68 ARG 0.133 0.071 10 0 "[ . 1 . 2]"
1 69 LYS 0.072 0.071 10 0 "[ . 1 . 2]"
1 71 ALA 5.364 0.544 14 3 "[ * . 1 +. - 2]"
1 72 ILE 5.364 0.544 14 3 "[ * . 1 +. - 2]"
1 73 ARG 0.003 0.003 2 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 67 VAL HA 1 68 ARG H . . 3.500 2.308 2.161 3.486 . 0 0 "[ . 1 . 2]" 2
2 1 67 VAL HB 1 68 ARG H . . 4.220 3.679 2.375 4.282 0.062 11 0 "[ . 1 . 2]" 2
3 1 68 ARG H 1 68 ARG HB3 . . 4.180 3.347 2.590 3.982 . 0 0 "[ . 1 . 2]" 2
4 1 16 LYS HA 1 17 LEU H . . 3.200 2.394 2.141 2.870 . 0 0 "[ . 1 . 2]" 2
5 1 68 ARG HA 1 69 LYS H . . 3.460 2.344 2.143 3.531 0.071 10 0 "[ . 1 . 2]" 2
6 1 35 THR H 1 35 THR HB . . 3.310 2.584 2.486 2.668 . 0 0 "[ . 1 . 2]" 2
7 1 34 VAL HB 1 35 THR H . . 4.120 4.314 4.133 4.478 0.358 16 0 "[ . 1 . 2]" 2
8 1 34 VAL QG 1 35 THR H . . 3.810 2.836 2.465 3.228 . 0 0 "[ . 1 . 2]" 2
9 1 44 LEU H 1 44 LEU QB . . 3.560 2.228 2.188 2.257 . 0 0 "[ . 1 . 2]" 2
10 1 15 ASN HA 1 16 LYS H . . 3.470 2.523 2.154 3.537 0.067 11 0 "[ . 1 . 2]" 2
11 1 33 PRO HA 1 34 VAL H . . 2.840 2.170 2.150 2.247 . 0 0 "[ . 1 . 2]" 2
12 1 33 PRO QB 1 34 VAL H . . 3.650 3.331 2.921 3.582 . 0 0 "[ . 1 . 2]" 2
13 1 34 VAL H 1 34 VAL QG . . 3.410 2.725 2.557 2.883 . 0 0 "[ . 1 . 2]" 2
14 1 23 CYS HB3 1 28 ASP H . . 3.670 2.279 2.154 2.391 . 0 0 "[ . 1 . 2]" 2
15 1 23 CYS HB2 1 28 ASP H . . 4.160 3.515 3.110 3.799 . 0 0 "[ . 1 . 2]" 2
16 1 40 HIS H 1 40 HIS HB2 . . 3.140 2.615 2.535 2.672 . 0 0 "[ . 1 . 2]" 2
17 1 40 HIS H 1 40 HIS HB3 . . 3.780 3.660 3.598 3.788 0.008 19 0 "[ . 1 . 2]" 2
18 1 13 PHE HB2 1 14 VAL H . . 4.600 3.949 2.482 4.578 . 0 0 "[ . 1 . 2]" 2
19 1 14 VAL H 1 14 VAL HB . . 3.820 2.845 2.483 3.784 . 0 0 "[ . 1 . 2]" 2
20 1 14 VAL H 1 14 VAL MG2 . . 4.620 2.994 1.884 3.843 . 0 0 "[ . 1 . 2]" 2
21 1 19 GLU H 1 19 GLU QG . . 3.900 3.189 1.979 4.139 0.239 14 0 "[ . 1 . 2]" 2
22 1 19 GLU H 1 19 GLU HB2 . . 3.760 2.834 2.238 3.671 . 0 0 "[ . 1 . 2]" 2
23 1 19 GLU H 1 19 GLU HB3 . . 3.760 2.999 2.465 3.679 . 0 0 "[ . 1 . 2]" 2
24 1 40 HIS H 1 40 HIS HD2 . . 4.360 3.552 3.001 4.347 . 0 0 "[ . 1 . 2]" 2
25 1 20 GLU H 1 20 GLU HG3 . . 3.580 3.258 2.592 3.807 0.227 9 0 "[ . 1 . 2]" 2
26 1 21 VAL HA 1 22 ILE H . . 2.660 2.213 2.151 2.359 . 0 0 "[ . 1 . 2]" 2
27 1 22 ILE H 1 22 ILE HB . . 3.040 2.715 2.584 2.964 . 0 0 "[ . 1 . 2]" 2
28 1 22 ILE H 1 22 ILE HG12 . . 3.930 3.682 2.652 3.931 0.001 9 0 "[ . 1 . 2]" 2
29 1 22 ILE H 1 22 ILE HG13 . . 3.930 2.663 2.242 3.805 . 0 0 "[ . 1 . 2]" 2
30 1 21 VAL MG1 1 22 ILE H . . 4.370 3.215 1.900 4.012 . 0 0 "[ . 1 . 2]" 2
31 1 22 ILE H 1 22 ILE MG . . 3.920 3.875 3.826 3.947 0.027 16 0 "[ . 1 . 2]" 2
32 1 21 VAL H 1 21 VAL HB . . 3.590 2.662 2.372 3.191 . 0 0 "[ . 1 . 2]" 2
33 1 20 GLU HA 1 21 VAL H . . 2.690 2.278 2.139 2.587 . 0 0 "[ . 1 . 2]" 2
34 1 20 GLU HB2 1 21 VAL H . . 4.290 3.707 2.302 4.273 . 0 0 "[ . 1 . 2]" 2
35 1 21 VAL H 1 21 VAL MG2 . . 4.130 3.288 2.055 3.899 . 0 0 "[ . 1 . 2]" 2
36 1 18 GLN H 1 18 GLN QG . . 3.690 2.995 2.122 3.699 0.009 20 0 "[ . 1 . 2]" 2
37 1 18 GLN H 1 18 GLN HB2 . . 3.840 2.776 2.252 3.805 . 0 0 "[ . 1 . 2]" 2
38 1 17 LEU HB2 1 18 GLN H . . 4.570 3.551 2.027 4.572 0.002 20 0 "[ . 1 . 2]" 2
39 1 17 LEU HB3 1 18 GLN H . . 4.570 3.846 2.218 4.560 . 0 0 "[ . 1 . 2]" 2
40 1 45 LYS H 1 45 LYS HB2 . . 3.730 2.765 2.657 2.899 . 0 0 "[ . 1 . 2]" 2
41 1 44 LEU QB 1 45 LYS H . . 3.950 2.218 1.990 2.467 . 0 0 "[ . 1 . 2]" 2
42 1 17 LEU HA 1 18 GLN H . . 3.120 2.312 2.140 2.586 . 0 0 "[ . 1 . 2]" 2
43 1 18 GLN H 1 18 GLN HB3 . . 3.840 3.539 2.290 3.894 0.054 2 0 "[ . 1 . 2]" 2
44 1 51 GLY QA 1 52 GLU H . . 3.420 2.256 2.111 2.550 . 0 0 "[ . 1 . 2]" 2
45 1 52 GLU H 1 52 GLU HB2 . . 3.870 2.946 2.184 3.745 . 0 0 "[ . 1 . 2]" 2
46 1 52 GLU H 1 52 GLU HB3 . . 3.870 3.152 2.274 3.899 0.029 18 0 "[ . 1 . 2]" 2
47 1 28 ASP HA 1 29 ILE H . . 3.230 2.230 2.178 2.373 . 0 0 "[ . 1 . 2]" 2
48 1 28 ASP HB2 1 29 ILE H . . 4.040 3.871 2.659 4.038 . 0 0 "[ . 1 . 2]" 2
49 1 29 ILE H 1 29 ILE HB . . 3.300 2.662 2.555 2.715 . 0 0 "[ . 1 . 2]" 2
50 1 29 ILE H 1 29 ILE HG13 . . 3.630 2.171 1.893 3.632 0.002 3 0 "[ . 1 . 2]" 2
51 1 29 ILE H 1 29 ILE MG . . 3.950 3.775 3.763 3.787 . 0 0 "[ . 1 . 2]" 2
52 1 71 ALA HA 1 72 ILE H . . 3.570 2.493 2.147 3.572 0.002 11 0 "[ . 1 . 2]" 2
53 1 25 ILE H 1 42 PHE QD . . 4.220 4.048 3.852 4.181 . 0 0 "[ . 1 . 2]" 2
54 1 24 PRO QD 1 25 ILE H . . 3.650 2.997 2.962 3.075 . 0 0 "[ . 1 . 2]" 2
55 1 25 ILE H 1 25 ILE HB . . 3.360 2.542 2.496 2.616 . 0 0 "[ . 1 . 2]" 2
56 1 25 ILE H 1 25 ILE HG13 . . 3.750 2.662 2.430 2.794 . 0 0 "[ . 1 . 2]" 2
57 1 25 ILE H 1 25 ILE HG12 . . 3.930 3.844 3.713 3.929 . 0 0 "[ . 1 . 2]" 2
58 1 25 ILE H 1 27 LEU H . . 3.980 2.922 2.736 3.018 . 0 0 "[ . 1 . 2]" 2
59 1 27 LEU H 1 27 LEU HA . . 2.580 2.281 2.275 2.296 . 0 0 "[ . 1 . 2]" 2
60 1 23 CYS HB3 1 27 LEU H . . 3.550 2.660 2.425 2.999 . 0 0 "[ . 1 . 2]" 2
61 1 27 LEU H 1 27 LEU HB2 . . 4.110 3.691 3.502 3.773 . 0 0 "[ . 1 . 2]" 2
62 1 27 LEU H 1 27 LEU HB3 . . 4.140 4.007 3.905 4.042 . 0 0 "[ . 1 . 2]" 2
63 1 27 LEU H 1 27 LEU HG . . 3.710 2.886 2.593 3.010 . 0 0 "[ . 1 . 2]" 2
64 1 27 LEU H 1 27 LEU MD2 . . 3.340 2.978 2.640 3.251 . 0 0 "[ . 1 . 2]" 2
65 1 22 ILE MG 1 27 LEU H . . 3.990 3.537 3.391 3.816 . 0 0 "[ . 1 . 2]" 2
66 1 36 ILE MG 1 37 ASP H . . 4.470 3.499 3.363 3.649 . 0 0 "[ . 1 . 2]" 2
67 1 44 LEU HA 1 47 ILE H . . 4.080 3.700 3.472 3.833 . 0 0 "[ . 1 . 2]" 2
68 1 46 CYS HB2 1 47 ILE H . . 3.530 2.401 2.349 2.496 . 0 0 "[ . 1 . 2]" 2
69 1 46 CYS HB3 1 47 ILE H . . 3.970 2.589 2.479 2.739 . 0 0 "[ . 1 . 2]" 2
70 1 47 ILE H 1 47 ILE HB . . 3.170 2.649 2.515 2.712 . 0 0 "[ . 1 . 2]" 2
71 1 47 ILE H 1 47 ILE HG12 . . 4.020 3.305 3.199 3.488 . 0 0 "[ . 1 . 2]" 2
72 1 47 ILE H 1 47 ILE HG13 . . 4.020 1.970 1.889 2.132 . 0 0 "[ . 1 . 2]" 2
73 1 47 ILE H 1 47 ILE MG . . 3.960 3.780 3.762 3.788 . 0 0 "[ . 1 . 2]" 2
74 1 25 ILE H 1 26 CYS H . . 3.180 2.346 2.126 2.447 . 0 0 "[ . 1 . 2]" 2
75 1 23 CYS HB3 1 26 CYS H . . 3.930 2.732 2.371 2.901 . 0 0 "[ . 1 . 2]" 2
76 1 26 CYS H 1 26 CYS HB2 . . 3.960 3.665 3.617 3.774 . 0 0 "[ . 1 . 2]" 2
77 1 26 CYS H 1 26 CYS HB3 . . 3.440 2.990 2.863 3.109 . 0 0 "[ . 1 . 2]" 2
78 1 25 ILE HB 1 26 CYS H . . 3.100 2.277 2.158 2.567 . 0 0 "[ . 1 . 2]" 2
79 1 25 ILE MG 1 26 CYS H . . 3.600 3.088 2.831 3.415 . 0 0 "[ . 1 . 2]" 2
80 1 41 ASN H 1 41 ASN HD21 . . 3.820 2.835 2.362 3.832 0.012 16 0 "[ . 1 . 2]" 2
81 1 40 HIS HD2 1 41 ASN H . . 4.630 4.210 3.981 4.402 . 0 0 "[ . 1 . 2]" 2
82 1 40 HIS HA 1 41 ASN H . . 2.650 2.273 2.207 2.363 . 0 0 "[ . 1 . 2]" 2
83 1 40 HIS HB2 1 41 ASN H . . 3.960 3.943 3.810 4.000 0.040 14 0 "[ . 1 . 2]" 2
84 1 40 HIS HB3 1 41 ASN H . . 3.240 2.785 2.532 3.002 . 0 0 "[ . 1 . 2]" 2
85 1 41 ASN H 1 41 ASN HB2 . . 3.060 2.428 2.323 2.885 . 0 0 "[ . 1 . 2]" 2
86 1 41 ASN H 1 41 ASN HB3 . . 3.890 3.628 3.563 3.725 . 0 0 "[ . 1 . 2]" 2
87 1 48 THR H 1 49 GLN H . . 3.800 2.603 2.346 2.870 . 0 0 "[ . 1 . 2]" 2
88 1 48 THR H 1 48 THR HB . . 3.280 2.534 2.314 2.714 . 0 0 "[ . 1 . 2]" 2
89 1 34 VAL H 1 42 PHE H . . 3.390 2.533 2.182 2.997 . 0 0 "[ . 1 . 2]" 2
90 1 42 PHE H 1 42 PHE QD . . 3.620 3.382 3.115 3.683 0.063 13 0 "[ . 1 . 2]" 2
91 1 41 ASN HA 1 42 PHE H . . 2.720 2.162 2.150 2.194 . 0 0 "[ . 1 . 2]" 2
92 1 42 PHE H 1 42 PHE HB3 . . 4.050 3.785 3.728 3.849 . 0 0 "[ . 1 . 2]" 2
93 1 42 PHE H 1 42 PHE HB2 . . 3.240 2.652 2.566 2.759 . 0 0 "[ . 1 . 2]" 2
94 1 41 ASN HB3 1 42 PHE H . . 3.590 3.263 3.092 3.362 . 0 0 "[ . 1 . 2]" 2
95 1 34 VAL QG 1 42 PHE H . . 5.110 3.975 3.757 4.120 . 0 0 "[ . 1 . 2]" 2
96 1 47 ILE HB 1 48 THR H . . 3.810 2.696 2.402 3.056 . 0 0 "[ . 1 . 2]" 2
97 1 38 CYS H 1 39 GLY H . . 2.980 2.705 2.580 2.957 . 0 0 "[ . 1 . 2]" 2
98 1 37 ASP HB3 1 38 CYS H . . 4.160 2.938 2.511 3.803 . 0 0 "[ . 1 . 2]" 2
99 1 36 ILE HG13 1 38 CYS H . . 3.520 2.167 1.898 2.397 . 0 0 "[ . 1 . 2]" 2
100 1 36 ILE MD 1 38 CYS H . . 4.040 3.043 2.666 3.297 . 0 0 "[ . 1 . 2]" 2
101 1 36 ILE MG 1 38 CYS H . . 4.380 4.475 4.440 4.509 0.129 15 0 "[ . 1 . 2]" 2
102 1 41 ASN HB2 1 41 ASN HD21 . . 3.520 2.396 2.168 3.535 0.015 16 0 "[ . 1 . 2]" 2
103 1 41 ASN HB2 1 41 ASN HD22 . . 3.940 3.553 3.454 4.087 0.147 16 0 "[ . 1 . 2]" 2
104 1 35 THR MG 1 41 ASN HD22 . . 4.020 3.127 2.394 3.660 . 0 0 "[ . 1 . 2]" 2
105 1 72 ILE MG 1 73 ARG H . . 4.020 3.529 2.646 3.983 . 0 0 "[ . 1 . 2]" 2
106 1 72 ILE HA 1 73 ARG H . . 2.780 2.264 2.146 2.524 . 0 0 "[ . 1 . 2]" 2
107 1 37 ASP HA 1 39 GLY H . . 4.560 4.148 4.022 4.328 . 0 0 "[ . 1 . 2]" 2
108 1 36 ILE HG13 1 39 GLY H . . 4.340 2.274 2.021 2.500 . 0 0 "[ . 1 . 2]" 2
109 1 22 ILE HA 1 23 CYS H . . 3.000 2.300 2.258 2.322 . 0 0 "[ . 1 . 2]" 2
110 1 23 CYS H 1 23 CYS HB3 . . 3.250 2.579 2.512 2.745 . 0 0 "[ . 1 . 2]" 2
111 1 23 CYS H 1 23 CYS HB2 . . 3.450 2.536 2.379 2.604 . 0 0 "[ . 1 . 2]" 2
112 1 22 ILE HB 1 23 CYS H . . 3.900 3.668 3.378 3.801 . 0 0 "[ . 1 . 2]" 2
113 1 50 ILE H 1 51 GLY H . . 4.070 2.956 2.753 3.109 . 0 0 "[ . 1 . 2]" 2
114 1 50 ILE MG 1 51 GLY H . . 4.110 3.340 3.001 3.528 . 0 0 "[ . 1 . 2]" 2
115 1 68 ARG H 1 68 ARG HG2 . . 4.720 3.824 2.155 4.692 . 0 0 "[ . 1 . 2]" 2
116 1 35 THR H 1 35 THR MG . . 4.070 3.799 3.771 3.828 . 0 0 "[ . 1 . 2]" 2
117 1 35 THR MG 1 40 HIS H . . 4.580 3.976 2.906 4.527 . 0 0 "[ . 1 . 2]" 2
118 1 36 ILE MD 1 40 HIS H . . 4.900 4.085 3.580 4.378 . 0 0 "[ . 1 . 2]" 2
119 1 36 ILE HG12 1 40 HIS H . . 4.650 3.745 2.602 4.428 . 0 0 "[ . 1 . 2]" 2
120 1 36 ILE HG13 1 40 HIS H . . 4.200 3.754 2.981 4.177 . 0 0 "[ . 1 . 2]" 2
121 1 72 ILE H 1 72 ILE HB . . 3.790 2.978 2.323 3.764 . 0 0 "[ . 1 . 2]" 2
122 1 72 ILE H 1 72 ILE HG13 . . 4.780 3.361 1.900 4.567 . 0 0 "[ . 1 . 2]" 2
123 1 72 ILE H 1 72 ILE HG12 . . 4.780 3.796 2.101 4.648 . 0 0 "[ . 1 . 2]" 2
124 1 25 ILE H 1 25 ILE MD . . 4.250 3.875 3.530 4.054 . 0 0 "[ . 1 . 2]" 2
125 1 27 LEU H 1 28 ASP H . . 3.200 2.660 2.539 3.058 . 0 0 "[ . 1 . 2]" 2
126 1 26 CYS H 1 27 LEU H . . 2.960 2.140 2.027 2.333 . 0 0 "[ . 1 . 2]" 2
127 1 24 PRO HA 1 27 LEU H . . 4.430 4.167 3.821 4.387 . 0 0 "[ . 1 . 2]" 2
128 1 23 CYS HB2 1 27 LEU H . . 4.680 4.379 4.159 4.697 0.017 15 0 "[ . 1 . 2]" 2
129 1 25 ILE HB 1 27 LEU H . . 4.500 4.230 4.136 4.503 0.003 13 0 "[ . 1 . 2]" 2
130 1 46 CYS H 1 47 ILE H . . 3.850 2.697 2.617 2.805 . 0 0 "[ . 1 . 2]" 2
131 1 63 CYS H 1 64 LYS H . . 4.500 4.339 4.015 4.507 0.007 2 0 "[ . 1 . 2]" 2
132 1 60 CYS HB3 1 64 LYS H . . 5.430 5.257 5.044 5.403 . 0 0 "[ . 1 . 2]" 2
133 1 30 LEU MD2 1 42 PHE H . . 4.100 3.794 3.430 4.083 . 0 0 "[ . 1 . 2]" 2
134 1 44 LEU MD1 1 48 THR H . . 4.360 3.774 3.342 4.217 . 0 0 "[ . 1 . 2]" 2
135 1 33 PRO QB 1 42 PHE H . . 5.160 4.531 3.791 4.828 . 0 0 "[ . 1 . 2]" 2
136 1 34 VAL HB 1 42 PHE H . . 4.910 3.461 3.125 3.795 . 0 0 "[ . 1 . 2]" 2
137 1 33 PRO HA 1 42 PHE H . . 4.340 3.875 3.540 4.247 . 0 0 "[ . 1 . 2]" 2
138 1 35 THR HA 1 42 PHE H . . 4.670 4.248 3.948 4.568 . 0 0 "[ . 1 . 2]" 2
139 1 38 CYS H 1 40 HIS H . . 4.940 4.843 4.549 4.960 0.020 18 0 "[ . 1 . 2]" 2
140 1 36 ILE HB 1 38 CYS H . . 4.090 3.130 3.015 3.373 . 0 0 "[ . 1 . 2]" 2
141 1 36 ILE HG12 1 38 CYS H . . 4.110 3.908 3.642 4.120 0.010 14 0 "[ . 1 . 2]" 2
142 1 73 ARG H 1 73 ARG QG . . 4.050 3.099 2.117 4.053 0.003 2 0 "[ . 1 . 2]" 2
143 1 50 ILE HB 1 51 GLY H . . 4.090 2.479 2.274 2.657 . 0 0 "[ . 1 . 2]" 2
144 1 16 LYS H 1 16 LYS QG . . 4.360 3.350 2.378 4.217 . 0 0 "[ . 1 . 2]" 2
145 1 23 CYS H 1 24 PRO QD . . 4.870 4.201 4.158 4.231 . 0 0 "[ . 1 . 2]" 2
146 1 23 CYS H 1 28 ASP H . . 4.320 2.754 2.482 3.180 . 0 0 "[ . 1 . 2]" 2
147 1 25 ILE HG13 1 26 CYS H . . 4.480 4.151 4.061 4.212 . 0 0 "[ . 1 . 2]" 2
148 1 30 LEU MD2 1 34 VAL H . . 4.360 3.600 3.427 3.895 . 0 0 "[ . 1 . 2]" 2
149 1 39 GLY H 1 40 HIS H . . 3.140 2.808 2.043 3.151 0.011 17 0 "[ . 1 . 2]" 2
150 1 43 CYS HB2 1 44 LEU H . . 4.590 3.197 3.099 3.259 . 0 0 "[ . 1 . 2]" 2
151 1 44 LEU H 1 45 LYS H . . 4.230 3.073 2.904 3.245 . 0 0 "[ . 1 . 2]" 2
152 1 45 LYS H 1 46 CYS H . . 4.480 2.879 2.750 2.977 . 0 0 "[ . 1 . 2]" 2
153 1 52 GLU H 1 52 GLU HG2 . . 4.540 3.254 1.908 4.534 . 0 0 "[ . 1 . 2]" 2
154 1 35 THR HA 1 41 ASN HD21 . . 5.360 4.408 2.204 4.992 . 0 0 "[ . 1 . 2]" 2
155 1 40 HIS HA 1 41 ASN HD21 . . 4.890 3.643 3.065 4.655 . 0 0 "[ . 1 . 2]" 2
156 1 35 THR MG 1 41 ASN HD21 . . 4.890 3.897 2.846 4.408 . 0 0 "[ . 1 . 2]" 2
157 1 30 LEU MD1 1 41 ASN HD21 . . 5.500 5.353 5.088 5.498 . 0 0 "[ . 1 . 2]" 2
158 1 33 PRO QB 1 41 ASN HD21 . . 5.010 4.754 3.490 5.014 0.004 3 0 "[ . 1 . 2]" 2
159 1 41 ASN H 1 41 ASN HD22 . . 4.510 4.212 3.957 4.477 . 0 0 "[ . 1 . 2]" 2
160 1 41 ASN HA 1 41 ASN HD22 . . 4.850 4.105 3.652 4.303 . 0 0 "[ . 1 . 2]" 2
161 1 13 PHE HB3 1 14 VAL H . . 4.600 3.413 2.204 4.363 . 0 0 "[ . 1 . 2]" 2
162 1 13 PHE HA 1 14 VAL H . . 2.960 2.361 2.139 2.775 . 0 0 "[ . 1 . 2]" 2
163 1 22 ILE H 1 23 CYS H . . 4.750 4.502 4.457 4.537 . 0 0 "[ . 1 . 2]" 2
164 1 42 PHE H 1 47 ILE MD . . 4.710 2.951 2.778 3.230 . 0 0 "[ . 1 . 2]" 2
165 1 41 ASN H 1 42 PHE H . . 4.630 4.448 4.404 4.500 . 0 0 "[ . 1 . 2]" 2
166 1 26 CYS H 1 28 ASP H . . 4.430 3.830 3.484 4.057 . 0 0 "[ . 1 . 2]" 2
167 1 26 CYS HB2 1 27 LEU H . . 4.650 4.071 3.905 4.388 . 0 0 "[ . 1 . 2]" 2
168 1 25 ILE MG 1 27 LEU H . . 4.920 4.696 4.564 4.833 . 0 0 "[ . 1 . 2]" 2
169 1 23 CYS H 1 27 LEU H . . 4.730 4.110 3.934 4.476 . 0 0 "[ . 1 . 2]" 2
170 1 27 LEU MD2 1 28 ASP H . . 4.920 4.578 4.365 4.756 . 0 0 "[ . 1 . 2]" 2
171 1 37 ASP H 1 38 CYS H . . 4.620 2.847 2.736 2.916 . 0 0 "[ . 1 . 2]" 2
172 1 39 GLY H 1 40 HIS HB2 . . 5.060 4.481 4.087 4.772 . 0 0 "[ . 1 . 2]" 2
173 1 35 THR MG 1 41 ASN H . . 5.130 4.973 4.489 5.170 0.040 15 0 "[ . 1 . 2]" 2
174 1 42 PHE HB3 1 47 ILE H . . 4.520 3.352 3.184 3.515 . 0 0 "[ . 1 . 2]" 2
175 1 42 PHE HB2 1 47 ILE H . . 4.510 4.126 3.948 4.303 . 0 0 "[ . 1 . 2]" 2
176 1 25 ILE MG 1 47 ILE H . . 5.410 5.319 5.175 5.416 0.006 5 0 "[ . 1 . 2]" 2
177 1 45 LYS H 1 47 ILE H . . 5.230 5.000 4.829 5.129 . 0 0 "[ . 1 . 2]" 2
178 1 42 PHE QD 1 47 ILE H . . 5.340 5.074 4.819 5.302 . 0 0 "[ . 1 . 2]" 2
179 1 48 THR H 1 48 THR HG1 . . 4.710 3.365 2.194 4.573 . 0 0 "[ . 1 . 2]" 2
180 1 50 ILE HG12 1 51 GLY H . . 5.250 4.966 4.120 5.108 . 0 0 "[ . 1 . 2]" 2
181 1 50 ILE HG13 1 51 GLY H . . 5.250 4.266 4.117 4.782 . 0 0 "[ . 1 . 2]" 2
182 1 53 THR H 1 53 THR MG . . 4.660 3.078 1.903 3.923 . 0 0 "[ . 1 . 2]" 2
183 1 63 CYS HB2 1 64 LYS H . . 4.970 3.105 2.618 3.677 . 0 0 "[ . 1 . 2]" 2
184 1 64 LYS H 1 64 LYS HG3 . . 5.230 3.354 2.622 4.447 . 0 0 "[ . 1 . 2]" 2
185 1 64 LYS H 1 64 LYS HG2 . . 5.230 3.535 2.090 4.559 . 0 0 "[ . 1 . 2]" 2
186 1 71 ALA MB 1 72 ILE H . . 4.830 2.892 2.072 3.690 . 0 0 "[ . 1 . 2]" 2
187 1 40 HIS HA 1 41 ASN HD22 . . 5.150 4.696 4.273 5.091 . 0 0 "[ . 1 . 2]" 2
188 1 20 GLU H 1 20 GLU HG2 . . 3.580 2.981 1.977 3.810 0.230 14 0 "[ . 1 . 2]" 2
189 1 43 CYS HB3 1 45 LYS H . . 5.400 5.106 4.799 5.314 . 0 0 "[ . 1 . 2]" 2
190 1 36 ILE H 1 41 ASN HA . . 4.760 3.982 3.701 4.459 . 0 0 "[ . 1 . 2]" 2
191 1 38 CYS H 1 39 GLY HA2 . . 5.480 4.996 4.905 5.148 . 0 0 "[ . 1 . 2]" 2
192 1 37 ASP HB2 1 38 CYS H . . 4.160 3.278 2.512 3.911 . 0 0 "[ . 1 . 2]" 2
193 1 43 CYS HB2 1 45 LYS H . . 5.400 3.813 3.530 4.033 . 0 0 "[ . 1 . 2]" 2
194 1 36 ILE H 1 36 ILE MD . . 4.470 3.607 3.407 3.768 . 0 0 "[ . 1 . 2]" 2
195 1 36 ILE MD 1 37 ASP H . . 4.880 3.871 3.584 4.043 . 0 0 "[ . 1 . 2]" 2
196 1 36 ILE MD 1 47 ILE MD . . 4.320 4.124 3.883 4.323 0.003 18 0 "[ . 1 . 2]" 2
197 1 36 ILE MD 1 42 PHE QE . . 3.640 2.275 1.989 2.863 . 0 0 "[ . 1 . 2]" 2
198 1 36 ILE MD 1 58 PHE QE . . 3.980 3.277 2.873 3.585 . 0 0 "[ . 1 . 2]" 2
199 1 36 ILE HA 1 36 ILE MD . . 4.580 4.176 4.159 4.182 . 0 0 "[ . 1 . 2]" 2
200 1 36 ILE MD 1 60 CYS HB2 . . 3.740 2.097 1.913 2.326 . 0 0 "[ . 1 . 2]" 2
201 1 36 ILE HB 1 36 ILE MD . . 3.750 2.445 2.365 2.561 . 0 0 "[ . 1 . 2]" 2
202 1 42 PHE HB3 1 47 ILE MD . . 4.700 3.018 2.893 3.223 . 0 0 "[ . 1 . 2]" 2
203 1 42 PHE HB3 1 43 CYS H . . 4.340 2.263 2.067 2.863 . 0 0 "[ . 1 . 2]" 2
204 1 42 PHE HB2 1 43 CYS H . . 4.600 3.519 3.367 3.986 . 0 0 "[ . 1 . 2]" 2
205 1 30 LEU MD2 1 42 PHE HB2 . . 5.100 4.561 4.377 4.947 . 0 0 "[ . 1 . 2]" 2
206 1 35 THR MG 1 39 GLY HA3 . . 3.780 3.569 3.246 4.020 0.240 3 0 "[ . 1 . 2]" 2
207 1 35 THR MG 1 39 GLY HA2 . . 3.780 2.235 1.939 2.646 . 0 0 "[ . 1 . 2]" 2
208 1 50 ILE MD 1 58 PHE QD . . 4.380 2.962 2.324 4.065 . 0 0 "[ . 1 . 2]" 2
209 1 50 ILE MD 1 58 PHE QE . . 4.780 3.254 2.799 4.055 . 0 0 "[ . 1 . 2]" 2
210 1 50 ILE MD 1 61 PRO HD3 . . 4.760 2.907 2.421 3.661 . 0 0 "[ . 1 . 2]" 2
211 1 50 ILE MD 1 61 PRO HD2 . . 4.760 4.064 3.625 4.731 . 0 0 "[ . 1 . 2]" 2
212 1 47 ILE HA 1 50 ILE MD . . 4.070 2.212 1.975 3.896 . 0 0 "[ . 1 . 2]" 2
213 1 50 ILE MD 1 61 PRO HG2 . . 4.660 4.307 3.663 4.880 0.220 13 0 "[ . 1 . 2]" 2
214 1 50 ILE HB 1 50 ILE MD . . 3.590 2.317 2.118 3.224 . 0 0 "[ . 1 . 2]" 2
215 1 72 ILE HA 1 72 ILE MD . . 4.490 3.496 2.003 4.153 . 0 0 "[ . 1 . 2]" 2
216 1 25 ILE MD 1 42 PHE QD . . 3.480 2.179 1.953 2.510 . 0 0 "[ . 1 . 2]" 2
217 1 24 PRO QD 1 25 ILE MD . . 4.320 4.155 3.779 4.344 0.024 5 0 "[ . 1 . 2]" 2
218 1 25 ILE MD 1 47 ILE HA . . 4.630 4.222 4.087 4.439 . 0 0 "[ . 1 . 2]" 2
219 1 25 ILE MD 1 42 PHE HB3 . . 4.330 2.843 2.450 3.342 . 0 0 "[ . 1 . 2]" 2
220 1 25 ILE MD 1 46 CYS HB2 . . 3.980 3.023 2.852 3.271 . 0 0 "[ . 1 . 2]" 2
221 1 25 ILE MD 1 46 CYS HB3 . . 3.420 2.047 1.958 2.405 . 0 0 "[ . 1 . 2]" 2
222 1 25 ILE HB 1 25 ILE MD . . 3.460 2.370 2.266 2.437 . 0 0 "[ . 1 . 2]" 2
223 1 25 ILE MD 1 61 PRO HG2 . . 3.800 2.968 2.636 3.444 . 0 0 "[ . 1 . 2]" 2
224 1 25 ILE MD 1 61 PRO HG3 . . 3.800 2.112 1.864 2.733 . 0 0 "[ . 1 . 2]" 2
225 1 25 ILE MD 1 50 ILE HG12 . . 4.670 3.905 3.613 4.272 . 0 0 "[ . 1 . 2]" 2
226 1 25 ILE MD 1 50 ILE HG13 . . 4.670 3.868 3.491 4.190 . 0 0 "[ . 1 . 2]" 2
227 1 25 ILE MD 1 25 ILE MG . . 2.920 2.004 1.927 2.128 . 0 0 "[ . 1 . 2]" 2
228 1 42 PHE QD 1 47 ILE MD . . 4.120 3.048 2.716 3.346 . 0 0 "[ . 1 . 2]" 2
229 1 47 ILE H 1 47 ILE MD . . 4.530 3.479 3.428 3.558 . 0 0 "[ . 1 . 2]" 2
230 1 47 ILE MD 1 58 PHE QE . . 4.270 4.113 3.772 4.274 0.004 3 0 "[ . 1 . 2]" 2
231 1 47 ILE HA 1 47 ILE MD . . 3.870 3.840 3.816 3.863 . 0 0 "[ . 1 . 2]" 2
232 1 34 VAL HB 1 47 ILE MD . . 4.130 1.985 1.842 2.148 . 0 0 "[ . 1 . 2]" 2
233 1 47 ILE HB 1 47 ILE MD . . 3.720 2.308 2.240 2.368 . 0 0 "[ . 1 . 2]" 2
234 1 34 VAL QG 1 47 ILE MD . . 3.740 2.319 2.043 2.548 . 0 0 "[ . 1 . 2]" 2
235 1 44 LEU MD1 1 47 ILE MD . . 4.370 3.935 3.571 4.308 . 0 0 "[ . 1 . 2]" 2
236 1 47 ILE MD 1 47 ILE MG . . 3.430 2.117 1.980 2.286 . 0 0 "[ . 1 . 2]" 2
237 1 29 ILE H 1 29 ILE MD . . 4.320 3.288 2.259 3.475 . 0 0 "[ . 1 . 2]" 2
238 1 29 ILE HB 1 29 ILE MD . . 3.560 2.451 2.204 3.216 . 0 0 "[ . 1 . 2]" 2
239 1 42 PHE HB2 1 47 ILE MD . . 4.040 1.998 1.911 2.144 . 0 0 "[ . 1 . 2]" 2
240 1 22 ILE HA 1 22 ILE MD . . 4.100 3.746 2.294 3.972 . 0 0 "[ . 1 . 2]" 2
241 1 22 ILE MD 1 27 LEU HA . . 4.420 4.272 4.199 4.337 . 0 0 "[ . 1 . 2]" 2
242 1 22 ILE MD 1 29 ILE HA . . 4.570 4.089 1.973 4.555 . 0 0 "[ . 1 . 2]" 2
243 1 22 ILE HB 1 22 ILE MD . . 3.270 2.489 2.359 3.199 . 0 0 "[ . 1 . 2]" 2
244 1 28 ASP HB3 1 29 ILE H . . 4.040 3.657 2.930 4.041 0.001 7 0 "[ . 1 . 2]" 2
245 1 41 ASN HB2 1 42 PHE H . . 4.370 4.259 3.862 4.374 0.004 12 0 "[ . 1 . 2]" 2
246 1 33 PRO QB 1 41 ASN HB2 . . 4.120 3.867 3.456 4.120 . 0 0 "[ . 1 . 2]" 2
247 1 30 LEU MD1 1 41 ASN HB2 . . 4.040 3.428 2.589 3.764 . 0 0 "[ . 1 . 2]" 2
248 1 33 PRO QB 1 41 ASN HB3 . . 3.650 2.654 2.388 2.871 . 0 0 "[ . 1 . 2]" 2
249 1 32 LYS QB 1 32 LYS QE . . 4.200 2.893 2.034 3.720 . 0 0 "[ . 1 . 2]" 2
250 1 32 LYS QE 1 32 LYS QG . . 3.480 2.320 2.076 2.678 . 0 0 "[ . 1 . 2]" 2
251 1 32 LYS QE 1 44 LEU MD2 . . 4.050 3.439 2.043 3.968 . 0 0 "[ . 1 . 2]" 2
252 1 62 LEU QB 1 63 CYS H . . 4.040 2.453 2.196 2.802 . 0 0 "[ . 1 . 2]" 2
253 1 59 LYS QE 1 59 LYS HG3 . . 3.910 2.598 2.118 3.482 . 0 0 "[ . 1 . 2]" 2
254 1 59 LYS QE 1 59 LYS HG2 . . 3.910 2.823 2.106 3.460 . 0 0 "[ . 1 . 2]" 2
255 1 69 LYS QE 1 69 LYS HG3 . . 3.610 2.582 2.140 3.499 . 0 0 "[ . 1 . 2]" 2
256 1 37 ASP H 1 37 ASP HB2 . . 4.120 2.369 2.190 2.819 . 0 0 "[ . 1 . 2]" 2
257 1 37 ASP H 1 37 ASP HB3 . . 4.120 3.106 2.463 3.591 . 0 0 "[ . 1 . 2]" 2
258 1 22 ILE HB 1 27 LEU HA . . 4.220 3.978 3.593 4.225 0.005 19 0 "[ . 1 . 2]" 2
259 1 36 ILE HB 1 37 ASP H . . 3.520 2.017 1.894 2.158 . 0 0 "[ . 1 . 2]" 2
260 1 72 ILE HB 1 73 ARG H . . 4.440 3.582 2.129 4.425 . 0 0 "[ . 1 . 2]" 2
261 1 22 ILE MD 1 27 LEU HB3 . . 4.580 4.278 4.110 4.583 0.003 20 0 "[ . 1 . 2]" 2
262 1 42 PHE HB3 1 47 ILE HB . . 4.950 4.762 4.603 4.881 . 0 0 "[ . 1 . 2]" 2
263 1 42 PHE HB2 1 47 ILE HB . . 4.700 4.504 4.411 4.635 . 0 0 "[ . 1 . 2]" 2
264 1 48 THR HB 1 49 GLN H . . 4.220 2.554 2.146 3.752 . 0 0 "[ . 1 . 2]" 2
265 1 25 ILE HB 1 26 CYS HB3 . . 4.510 4.035 3.872 4.155 . 0 0 "[ . 1 . 2]" 2
266 1 52 GLU H 1 52 GLU HG3 . . 4.540 3.245 2.247 4.526 . 0 0 "[ . 1 . 2]" 2
267 1 20 GLU HA 1 20 GLU HG3 . . 3.810 3.428 2.437 3.803 . 0 0 "[ . 1 . 2]" 2
268 1 47 ILE MG 1 48 THR HA . . 4.390 3.433 3.266 3.621 . 0 0 "[ . 1 . 2]" 2
269 1 49 GLN HA 1 49 GLN HG2 . . 4.070 2.959 2.453 3.858 . 0 0 "[ . 1 . 2]" 2
270 1 49 GLN H 1 49 GLN HG2 . . 4.670 3.793 2.503 4.611 . 0 0 "[ . 1 . 2]" 2
271 1 49 GLN H 1 49 GLN HG3 . . 4.670 4.064 2.635 4.624 . 0 0 "[ . 1 . 2]" 2
272 1 34 VAL H 1 34 VAL HB . . 3.920 2.627 2.531 2.764 . 0 0 "[ . 1 . 2]" 2
273 1 34 VAL HB 1 47 ILE MG . . 5.390 4.156 3.939 4.369 . 0 0 "[ . 1 . 2]" 2
274 1 46 CYS HA 1 49 GLN H . . 4.500 3.348 3.053 3.740 . 0 0 "[ . 1 . 2]" 2
275 1 46 CYS HA 1 49 GLN HB3 . . 4.160 3.250 2.374 4.199 0.039 13 0 "[ . 1 . 2]" 2
276 1 46 CYS HA 1 49 GLN HB2 . . 4.160 3.042 2.313 4.170 0.010 5 0 "[ . 1 . 2]" 2
277 1 25 ILE MG 1 46 CYS HA . . 4.510 3.974 3.892 4.087 . 0 0 "[ . 1 . 2]" 2
278 1 46 CYS HA 1 48 THR H . . 5.060 4.159 3.888 4.550 . 0 0 "[ . 1 . 2]" 2
279 1 24 PRO HB2 1 42 PHE QE . . 4.100 3.862 3.529 4.098 . 0 0 "[ . 1 . 2]" 2
280 1 24 PRO HB2 1 62 LEU MD1 . . 4.350 3.229 2.129 3.752 . 0 0 "[ . 1 . 2]" 2
281 1 21 VAL HB 1 22 ILE H . . 4.240 4.055 3.831 4.252 0.012 15 0 "[ . 1 . 2]" 2
282 1 23 CYS HB3 1 30 LEU MD2 . . 4.440 3.836 3.397 4.184 . 0 0 "[ . 1 . 2]" 2
283 1 23 CYS HB2 1 24 PRO QD . . 4.510 3.825 3.764 3.962 . 0 0 "[ . 1 . 2]" 2
284 1 43 CYS HB3 1 44 LEU H . . 4.590 4.310 4.259 4.344 . 0 0 "[ . 1 . 2]" 2
285 1 25 ILE HA 1 25 ILE HG13 . . 3.730 2.985 2.892 3.100 . 0 0 "[ . 1 . 2]" 2
286 1 25 ILE HA 1 25 ILE HG12 . . 3.450 2.532 2.450 2.707 . 0 0 "[ . 1 . 2]" 2
287 1 25 ILE HA 1 25 ILE MD . . 4.080 3.827 3.789 3.897 . 0 0 "[ . 1 . 2]" 2
288 1 8 MET ME 1 8 MET HG3 . . 3.460 2.498 2.020 3.381 . 0 0 "[ . 1 . 2]" 2
289 1 8 MET ME 1 8 MET HG2 . . 3.460 2.777 2.060 3.378 . 0 0 "[ . 1 . 2]" 2
290 1 40 HIS HB2 1 42 PHE QE . . 4.130 2.600 2.272 3.025 . 0 0 "[ . 1 . 2]" 2
291 1 40 HIS HB3 1 42 PHE QE . . 4.750 3.265 2.855 3.662 . 0 0 "[ . 1 . 2]" 2
292 1 45 LYS H 1 45 LYS HB3 . . 3.730 3.320 2.206 3.603 . 0 0 "[ . 1 . 2]" 2
293 1 32 LYS QB 1 44 LEU H . . 4.900 3.568 2.699 4.543 . 0 0 "[ . 1 . 2]" 2
294 1 32 LYS QB 1 44 LEU MD2 . . 4.340 3.991 3.271 4.332 . 0 0 "[ . 1 . 2]" 2
295 1 50 ILE HA 1 50 ILE HG12 . . 3.980 2.722 2.575 3.090 . 0 0 "[ . 1 . 2]" 2
296 1 50 ILE HA 1 50 ILE HG13 . . 3.980 2.840 2.710 3.721 . 0 0 "[ . 1 . 2]" 2
297 1 50 ILE HA 1 50 ILE MG . . 3.460 2.380 2.278 2.470 . 0 0 "[ . 1 . 2]" 2
298 1 50 ILE HA 1 50 ILE MD . . 4.230 3.789 2.165 3.914 . 0 0 "[ . 1 . 2]" 2
299 1 60 CYS HB3 1 63 CYS H . . 4.550 3.031 2.411 3.515 . 0 0 "[ . 1 . 2]" 2
300 1 60 CYS H 1 60 CYS HB3 . . 3.900 2.458 2.349 2.623 . 0 0 "[ . 1 . 2]" 2
301 1 36 ILE MD 1 60 CYS HB3 . . 4.780 3.467 3.249 3.678 . 0 0 "[ . 1 . 2]" 2
302 1 60 CYS HB3 1 65 THR MG . . 5.330 4.309 2.166 5.453 0.123 9 0 "[ . 1 . 2]" 2
303 1 60 CYS H 1 60 CYS HB2 . . 3.810 2.668 2.528 2.925 . 0 0 "[ . 1 . 2]" 2
304 1 33 PRO HA 1 44 LEU H . . 5.380 5.028 3.977 5.383 0.003 6 0 "[ . 1 . 2]" 2
305 1 33 PRO HA 1 34 VAL QG . . 4.340 3.683 3.432 3.881 . 0 0 "[ . 1 . 2]" 2
306 1 68 ARG H 1 68 ARG HB2 . . 4.180 2.951 2.221 3.960 . 0 0 "[ . 1 . 2]" 2
307 1 14 VAL HA 1 14 VAL MG1 . . 3.750 2.747 2.264 3.201 . 0 0 "[ . 1 . 2]" 2
308 1 14 VAL HA 1 14 VAL MG2 . . 3.750 2.488 2.258 3.202 . 0 0 "[ . 1 . 2]" 2
309 1 20 GLU HB3 1 21 VAL H . . 4.290 3.092 2.120 4.260 . 0 0 "[ . 1 . 2]" 2
310 1 53 THR HA 1 53 THR MG . . 3.260 2.405 2.179 3.207 . 0 0 "[ . 1 . 2]" 2
311 1 21 VAL HA 1 21 VAL MG1 . . 3.290 2.898 2.255 3.203 . 0 0 "[ . 1 . 2]" 2
312 1 23 CYS H 1 29 ILE HA . . 4.350 4.161 3.870 4.350 0.000 3 0 "[ . 1 . 2]" 2
313 1 29 ILE HA 1 30 LEU H . . 2.860 2.167 2.140 2.187 . 0 0 "[ . 1 . 2]" 2
314 1 22 ILE HA 1 29 ILE HA . . 3.220 2.846 2.408 3.166 . 0 0 "[ . 1 . 2]" 2
315 1 29 ILE HA 1 29 ILE HG12 . . 3.950 2.712 2.569 3.373 . 0 0 "[ . 1 . 2]" 2
316 1 29 ILE HA 1 30 LEU HG . . 5.120 4.778 4.619 4.850 . 0 0 "[ . 1 . 2]" 2
317 1 29 ILE HA 1 29 ILE HG13 . . 3.950 2.992 2.677 3.723 . 0 0 "[ . 1 . 2]" 2
318 1 22 ILE MG 1 29 ILE HA . . 3.610 3.052 2.268 3.452 . 0 0 "[ . 1 . 2]" 2
319 1 29 ILE HA 1 29 ILE MD . . 3.970 3.580 1.966 3.882 . 0 0 "[ . 1 . 2]" 2
320 1 34 VAL HA 1 35 THR H . . 2.920 2.158 2.139 2.217 . 0 0 "[ . 1 . 2]" 2
321 1 72 ILE HA 1 72 ILE MG . . 3.450 2.683 2.124 3.198 . 0 0 "[ . 1 . 2]" 2
322 1 32 LYS HA 1 32 LYS QD . . 4.610 3.945 2.406 4.450 . 0 0 "[ . 1 . 2]" 2
323 1 32 LYS QB 1 32 LYS QD . . 3.330 2.159 2.029 2.304 . 0 0 "[ . 1 . 2]" 2
324 1 46 CYS H 1 46 CYS HB2 . . 4.200 2.209 2.182 2.231 . 0 0 "[ . 1 . 2]" 2
325 1 25 ILE HB 1 46 CYS HB2 . . 4.180 3.861 3.729 3.964 . 0 0 "[ . 1 . 2]" 2
326 1 25 ILE HB 1 46 CYS HB3 . . 3.760 3.578 3.479 3.700 . 0 0 "[ . 1 . 2]" 2
327 1 25 ILE MG 1 46 CYS HB3 . . 3.730 3.037 2.881 3.195 . 0 0 "[ . 1 . 2]" 2
328 1 49 GLN H 1 49 GLN HB3 . . 4.050 2.956 2.232 3.579 . 0 0 "[ . 1 . 2]" 2
329 1 49 GLN H 1 49 GLN HB2 . . 4.050 2.449 2.185 3.522 . 0 0 "[ . 1 . 2]" 2
330 1 40 HIS HA 1 40 HIS HD2 . . 3.360 2.336 2.196 2.465 . 0 0 "[ . 1 . 2]" 2
331 1 45 LYS HA 1 48 THR MG . . 4.640 4.364 2.248 4.643 0.003 3 0 "[ . 1 . 2]" 2
332 1 50 ILE H 1 50 ILE HG12 . . 4.680 3.348 1.920 3.533 . 0 0 "[ . 1 . 2]" 2
333 1 47 ILE HA 1 50 ILE HG13 . . 4.880 3.704 2.734 4.020 . 0 0 "[ . 1 . 2]" 2
334 1 45 LYS HA 1 48 THR H . . 4.440 4.372 4.024 4.452 0.012 18 0 "[ . 1 . 2]" 2
335 1 45 LYS HA 1 48 THR HB . . 3.540 3.489 3.371 3.598 0.058 13 0 "[ . 1 . 2]" 2
336 1 29 ILE H 1 29 ILE HG12 . . 3.630 3.130 1.948 3.486 . 0 0 "[ . 1 . 2]" 2
337 1 29 ILE HG13 1 29 ILE MG . . 3.610 3.053 2.247 3.199 . 0 0 "[ . 1 . 2]" 2
338 1 25 ILE HG13 1 42 PHE QD . . 3.710 2.459 2.064 2.679 . 0 0 "[ . 1 . 2]" 2
339 1 24 PRO QD 1 25 ILE HG13 . . 4.410 3.448 3.310 3.565 . 0 0 "[ . 1 . 2]" 2
340 1 25 ILE HG12 1 42 PHE QD . . 4.160 3.873 3.505 4.136 . 0 0 "[ . 1 . 2]" 2
341 1 24 PRO HG2 1 42 PHE QE . . 4.470 2.177 2.004 2.315 . 0 0 "[ . 1 . 2]" 2
342 1 24 PRO HG3 1 42 PHE QE . . 4.470 3.389 3.177 3.635 . 0 0 "[ . 1 . 2]" 2
343 1 24 PRO HB2 1 25 ILE HG13 . . 4.640 4.023 3.909 4.199 . 0 0 "[ . 1 . 2]" 2
344 1 62 LEU H 1 62 LEU HG . . 4.620 2.798 2.279 3.904 . 0 0 "[ . 1 . 2]" 2
345 1 42 PHE HZ 1 62 LEU HG . . 4.530 2.689 2.132 4.703 0.173 1 0 "[ . 1 . 2]" 2
346 1 68 ARG H 1 68 ARG HG3 . . 4.720 3.680 2.338 4.711 . 0 0 "[ . 1 . 2]" 2
347 1 50 ILE MD 1 61 PRO HG3 . . 4.660 2.840 2.104 3.540 . 0 0 "[ . 1 . 2]" 2
348 1 32 LYS HA 1 33 PRO HG2 . . 5.040 4.144 4.117 4.264 . 0 0 "[ . 1 . 2]" 2
349 1 30 LEU H 1 30 LEU HG . . 3.810 2.908 2.672 3.151 . 0 0 "[ . 1 . 2]" 2
350 1 17 LEU H 1 17 LEU HG . . 4.950 3.727 1.918 4.809 . 0 0 "[ . 1 . 2]" 2
351 1 17 LEU HG 1 18 GLN H . . 5.270 3.815 1.973 5.106 . 0 0 "[ . 1 . 2]" 2
352 1 22 ILE HA 1 30 LEU H . . 3.610 2.184 1.900 2.388 . 0 0 "[ . 1 . 2]" 2
353 1 36 ILE H 1 36 ILE HG13 . . 4.120 2.967 2.709 3.291 . 0 0 "[ . 1 . 2]" 2
354 1 36 ILE HG13 1 42 PHE QE . . 5.030 4.487 4.219 4.750 . 0 0 "[ . 1 . 2]" 2
355 1 36 ILE H 1 36 ILE HG12 . . 3.590 1.946 1.871 2.186 . 0 0 "[ . 1 . 2]" 2
356 1 36 ILE HG12 1 42 PHE QD . . 4.310 3.532 3.219 3.880 . 0 0 "[ . 1 . 2]" 2
357 1 22 ILE HA 1 30 LEU HG . . 4.350 3.189 2.816 3.484 . 0 0 "[ . 1 . 2]" 2
358 1 22 ILE HA 1 22 ILE HG12 . . 4.210 2.703 2.605 2.870 . 0 0 "[ . 1 . 2]" 2
359 1 22 ILE HA 1 22 ILE HG13 . . 4.210 3.136 2.955 3.779 . 0 0 "[ . 1 . 2]" 2
360 1 44 LEU HA 1 47 ILE HB . . 3.630 2.625 2.495 2.718 . 0 0 "[ . 1 . 2]" 2
361 1 44 LEU HA 1 44 LEU HG . . 4.130 3.027 2.839 3.317 . 0 0 "[ . 1 . 2]" 2
362 1 44 LEU HA 1 47 ILE MD . . 4.350 3.295 3.125 3.492 . 0 0 "[ . 1 . 2]" 2
363 1 44 LEU HA 1 48 THR H . . 4.850 3.429 3.211 3.744 . 0 0 "[ . 1 . 2]" 2
364 1 38 CYS HA 1 65 THR MG . . 4.430 3.125 2.297 4.001 . 0 0 "[ . 1 . 2]" 2
365 1 49 GLN HA 1 49 GLN HG3 . . 4.070 3.313 2.304 3.690 . 0 0 "[ . 1 . 2]" 2
366 1 64 LYS HA 1 64 LYS HD2 . . 4.730 3.721 2.000 4.661 . 0 0 "[ . 1 . 2]" 2
367 1 59 LYS QD 1 64 LYS HA . . 5.110 3.702 2.569 5.104 . 0 0 "[ . 1 . 2]" 2
368 1 44 LEU QB 1 44 LEU MD2 . . 3.190 2.063 1.959 2.099 . 0 0 "[ . 1 . 2]" 2
369 1 32 LYS QD 1 44 LEU MD2 . . 3.990 3.148 1.930 3.975 . 0 0 "[ . 1 . 2]" 2
370 1 60 CYS HA 1 61 PRO HD3 . . 3.160 2.254 2.251 2.270 . 0 0 "[ . 1 . 2]" 2
371 1 60 CYS HA 1 61 PRO HD2 . . 3.160 2.155 2.063 2.192 . 0 0 "[ . 1 . 2]" 2
372 1 36 ILE MD 1 60 CYS HA . . 3.950 3.366 3.212 3.564 . 0 0 "[ . 1 . 2]" 2
373 1 44 LEU HA 1 44 LEU MD2 . . 4.210 3.918 3.844 3.979 . 0 0 "[ . 1 . 2]" 2
374 1 52 GLU HA 1 52 GLU HG2 . . 4.220 3.242 2.315 4.215 . 0 0 "[ . 1 . 2]" 2
375 1 52 GLU HA 1 52 GLU HG3 . . 4.220 3.311 2.391 3.941 . 0 0 "[ . 1 . 2]" 2
376 1 58 PHE QE 1 60 CYS HA . . 3.540 3.701 2.626 4.169 0.629 11 7 "[ ** . *- 1+ . **2]" 2
377 1 27 LEU HA 1 27 LEU MD1 . . 4.180 3.955 3.865 3.987 . 0 0 "[ . 1 . 2]" 2
378 1 27 LEU HB2 1 27 LEU MD1 . . 3.110 2.204 2.052 2.345 . 0 0 "[ . 1 . 2]" 2
379 1 30 LEU MD1 1 34 VAL H . . 5.180 4.758 4.370 5.042 . 0 0 "[ . 1 . 2]" 2
380 1 30 LEU MD1 1 42 PHE HA . . 4.400 3.254 2.911 3.683 . 0 0 "[ . 1 . 2]" 2
381 1 23 CYS HA 1 30 LEU MD1 . . 3.930 2.124 1.962 2.649 . 0 0 "[ . 1 . 2]" 2
382 1 30 LEU HA 1 30 LEU MD1 . . 4.290 3.812 3.786 3.838 . 0 0 "[ . 1 . 2]" 2
383 1 30 LEU MD1 1 33 PRO HA . . 4.570 3.624 3.362 3.944 . 0 0 "[ . 1 . 2]" 2
384 1 21 VAL HA 1 30 LEU MD1 . . 4.280 4.192 3.993 4.293 0.013 19 0 "[ . 1 . 2]" 2
385 1 30 LEU MD1 1 33 PRO HD3 . . 4.840 4.823 4.409 5.099 0.259 5 0 "[ . 1 . 2]" 2
386 1 23 CYS HB2 1 30 LEU MD1 . . 4.100 3.264 3.003 3.649 . 0 0 "[ . 1 . 2]" 2
387 1 30 LEU MD1 1 41 ASN HB3 . . 4.100 3.057 2.660 3.457 . 0 0 "[ . 1 . 2]" 2
388 1 30 LEU MD1 1 33 PRO QB . . 3.740 2.975 2.183 3.229 . 0 0 "[ . 1 . 2]" 2
389 1 19 GLU HA 1 20 GLU H . . 3.140 2.559 2.141 2.896 . 0 0 "[ . 1 . 2]" 2
390 1 19 GLU HA 1 19 GLU QG . . 3.830 2.846 2.163 3.549 . 0 0 "[ . 1 . 2]" 2
391 1 30 LEU H 1 30 LEU MD1 . . 4.530 3.456 3.231 3.803 . 0 0 "[ . 1 . 2]" 2
392 1 30 LEU MD1 1 43 CYS HB2 . . 4.940 5.092 4.910 5.175 0.235 9 0 "[ . 1 . 2]" 2
393 1 30 LEU MD1 1 43 CYS HB3 . . 4.940 4.083 3.841 4.277 . 0 0 "[ . 1 . 2]" 2
394 1 42 PHE QE 1 62 LEU MD1 . . 4.550 2.433 1.784 2.831 . 0 0 "[ . 1 . 2]" 2
395 1 62 LEU HA 1 62 LEU MD1 . . 4.120 3.736 2.630 3.896 . 0 0 "[ . 1 . 2]" 2
396 1 24 PRO HB3 1 62 LEU MD1 . . 4.070 3.577 3.116 3.967 . 0 0 "[ . 1 . 2]" 2
397 1 24 PRO HG2 1 62 LEU MD1 . . 4.780 2.640 2.163 2.915 . 0 0 "[ . 1 . 2]" 2
398 1 24 PRO HG3 1 62 LEU MD1 . . 4.780 2.209 1.971 3.261 . 0 0 "[ . 1 . 2]" 2
399 1 62 LEU HA 1 62 LEU HG . . 4.040 2.801 2.399 3.034 . 0 0 "[ . 1 . 2]" 2
400 1 20 GLU HA 1 20 GLU HG2 . . 3.810 2.963 2.276 3.759 . 0 0 "[ . 1 . 2]" 2
401 1 20 GLU HA 1 21 VAL HB . . 4.660 4.542 4.249 4.698 0.038 7 0 "[ . 1 . 2]" 2
402 1 27 LEU HA 1 27 LEU HG . . 4.230 3.223 3.115 3.288 . 0 0 "[ . 1 . 2]" 2
403 1 17 LEU HA 1 17 LEU MD1 . . 4.490 3.032 2.020 3.825 . 0 0 "[ . 1 . 2]" 2
404 1 16 LYS HA 1 16 LYS QD . . 4.640 3.139 2.013 4.361 . 0 0 "[ . 1 . 2]" 2
405 1 45 LYS H 1 45 LYS HG3 . . 4.790 3.066 2.035 4.429 . 0 0 "[ . 1 . 2]" 2
406 1 32 LYS HA 1 32 LYS QG . . 4.000 2.645 2.308 3.342 . 0 0 "[ . 1 . 2]" 2
407 1 45 LYS H 1 45 LYS HG2 . . 4.790 2.652 1.874 4.498 . 0 0 "[ . 1 . 2]" 2
408 1 30 LEU MD2 1 43 CYS H . . 4.090 2.509 2.301 2.771 . 0 0 "[ . 1 . 2]" 2
409 1 30 LEU H 1 30 LEU MD2 . . 4.860 4.025 3.773 4.156 . 0 0 "[ . 1 . 2]" 2
410 1 30 LEU MD2 1 33 PRO HA . . 3.760 2.388 2.108 2.757 . 0 0 "[ . 1 . 2]" 2
411 1 30 LEU MD2 1 33 PRO HD3 . . 4.970 4.156 3.510 4.548 . 0 0 "[ . 1 . 2]" 2
412 1 30 LEU MD2 1 43 CYS HB3 . . 4.500 1.865 1.772 1.999 . 0 0 "[ . 1 . 2]" 2
413 1 23 CYS HB2 1 30 LEU MD2 . . 3.550 2.360 1.968 2.632 . 0 0 "[ . 1 . 2]" 2
414 1 30 LEU MD2 1 41 ASN HB2 . . 5.300 4.678 3.958 5.192 . 0 0 "[ . 1 . 2]" 2
415 1 30 LEU MD2 1 41 ASN HB3 . . 4.170 3.697 3.335 3.976 . 0 0 "[ . 1 . 2]" 2
416 1 30 LEU MD2 1 33 PRO QB . . 3.670 3.122 2.013 3.551 . 0 0 "[ . 1 . 2]" 2
417 1 18 GLN HA 1 19 GLU H . . 3.130 2.374 2.150 3.307 0.177 20 0 "[ . 1 . 2]" 2
418 1 18 GLN HA 1 18 GLN QG . . 3.710 2.565 2.184 3.339 . 0 0 "[ . 1 . 2]" 2
419 1 17 LEU HA 1 17 LEU MD2 . . 4.490 3.502 1.975 4.091 . 0 0 "[ . 1 . 2]" 2
420 1 23 CYS HB2 1 30 LEU HA . . 4.130 3.648 3.315 3.838 . 0 0 "[ . 1 . 2]" 2
421 1 30 LEU HA 1 30 LEU HG . . 3.790 2.596 2.486 2.798 . 0 0 "[ . 1 . 2]" 2
422 1 30 LEU HA 1 30 LEU MD2 . . 3.250 2.243 1.968 2.588 . 0 0 "[ . 1 . 2]" 2
423 1 44 LEU HA 1 44 LEU MD1 . . 2.990 2.272 1.987 2.547 . 0 0 "[ . 1 . 2]" 2
424 1 42 PHE QE 1 62 LEU MD2 . . 4.550 3.660 3.196 4.071 . 0 0 "[ . 1 . 2]" 2
425 1 24 PRO HA 1 27 LEU MD2 . . 3.280 2.608 2.435 2.864 . 0 0 "[ . 1 . 2]" 2
426 1 27 LEU HA 1 27 LEU MD2 . . 2.940 2.317 2.043 2.547 . 0 0 "[ . 1 . 2]" 2
427 1 27 LEU HB2 1 27 LEU MD2 . . 3.660 3.179 3.153 3.194 . 0 0 "[ . 1 . 2]" 2
428 1 27 LEU HB3 1 27 LEU MD2 . . 3.150 2.254 2.108 2.367 . 0 0 "[ . 1 . 2]" 2
429 1 62 LEU HA 1 62 LEU MD2 . . 4.120 2.320 1.981 3.751 . 0 0 "[ . 1 . 2]" 2
430 1 24 PRO QD 1 62 LEU MD2 . . 5.200 4.622 4.224 4.911 . 0 0 "[ . 1 . 2]" 2
431 1 24 PRO HB3 1 62 LEU MD2 . . 4.070 3.349 2.977 3.648 . 0 0 "[ . 1 . 2]" 2
432 1 24 PRO HB2 1 62 LEU MD2 . . 4.350 2.667 2.049 3.187 . 0 0 "[ . 1 . 2]" 2
433 1 24 PRO HG3 1 62 LEU MD2 . . 4.780 3.242 2.723 3.592 . 0 0 "[ . 1 . 2]" 2
434 1 35 THR MG 1 39 GLY H . . 3.670 3.342 3.057 3.562 . 0 0 "[ . 1 . 2]" 2
435 1 35 THR MG 1 36 ILE H . . 3.440 2.812 2.175 3.276 . 0 0 "[ . 1 . 2]" 2
436 1 35 THR HA 1 35 THR MG . . 3.240 2.354 2.262 2.469 . 0 0 "[ . 1 . 2]" 2
437 1 35 THR MG 1 37 ASP HA . . 4.920 4.820 4.661 4.927 0.007 9 0 "[ . 1 . 2]" 2
438 1 36 ILE HB 1 67 VAL MG2 . . 5.060 3.411 1.974 4.727 . 0 0 "[ . 1 . 2]" 2
439 1 21 VAL H 1 21 VAL MG1 . . 4.130 2.742 1.907 3.874 . 0 0 "[ . 1 . 2]" 2
440 1 34 VAL HA 1 34 VAL QG . . 3.270 2.111 2.060 2.158 . 0 0 "[ . 1 . 2]" 2
441 1 48 THR H 1 48 THR MG . . 3.780 3.652 2.555 3.789 0.009 11 0 "[ . 1 . 2]" 2
442 1 48 THR MG 1 49 GLN HA . . 4.430 3.522 2.904 3.918 . 0 0 "[ . 1 . 2]" 2
443 1 48 THR HA 1 48 THR MG . . 3.200 2.417 2.183 3.157 . 0 0 "[ . 1 . 2]" 2
444 1 65 THR HA 1 65 THR MG . . 3.480 2.607 2.221 3.204 . 0 0 "[ . 1 . 2]" 2
445 1 38 CYS HB2 1 65 THR MG . . 4.130 3.156 2.063 3.950 . 0 0 "[ . 1 . 2]" 2
446 1 38 CYS HB3 1 65 THR MG . . 4.130 3.265 1.937 4.059 . 0 0 "[ . 1 . 2]" 2
447 1 34 VAL QG 1 44 LEU H . . 4.280 3.623 2.992 3.926 . 0 0 "[ . 1 . 2]" 2
448 1 34 VAL QG 1 44 LEU HA . . 3.770 3.574 3.258 3.699 . 0 0 "[ . 1 . 2]" 2
449 1 34 VAL QG 1 44 LEU QB . . 4.080 3.415 3.064 3.598 . 0 0 "[ . 1 . 2]" 2
450 1 21 VAL MG2 1 22 ILE H . . 4.370 2.827 1.875 4.020 . 0 0 "[ . 1 . 2]" 2
451 1 21 VAL HA 1 21 VAL MG2 . . 3.290 2.314 2.142 2.448 . 0 0 "[ . 1 . 2]" 2
452 1 24 PRO QD 1 42 PHE QD . . 3.570 2.825 2.720 3.088 . 0 0 "[ . 1 . 2]" 2
453 1 24 PRO QD 1 30 LEU MD2 . . 4.310 3.671 3.390 3.999 . 0 0 "[ . 1 . 2]" 2
454 1 71 ALA MB 1 72 ILE MG . . 4.350 4.470 2.775 4.894 0.544 14 3 "[ * . 1 +. - 2]" 2
455 1 42 PHE HZ 1 61 PRO HD3 . . 4.560 4.283 3.912 4.561 0.001 3 0 "[ . 1 . 2]" 2
456 1 42 PHE QE 1 61 PRO HD3 . . 4.920 4.165 3.811 4.349 . 0 0 "[ . 1 . 2]" 2
457 1 42 PHE HZ 1 61 PRO HD2 . . 4.560 2.648 2.286 3.012 . 0 0 "[ . 1 . 2]" 2
458 1 32 LYS HA 1 33 PRO HD3 . . 3.080 2.716 2.577 3.021 . 0 0 "[ . 1 . 2]" 2
459 1 36 ILE H 1 36 ILE MG . . 3.230 2.597 2.210 2.900 . 0 0 "[ . 1 . 2]" 2
460 1 36 ILE MG 1 42 PHE QD . . 3.800 3.131 2.704 3.577 . 0 0 "[ . 1 . 2]" 2
461 1 36 ILE MG 1 58 PHE QE . . 3.950 3.139 2.812 3.319 . 0 0 "[ . 1 . 2]" 2
462 1 36 ILE MG 1 58 PHE HZ . . 3.980 2.268 1.886 3.028 . 0 0 "[ . 1 . 2]" 2
463 1 36 ILE HA 1 36 ILE MG . . 3.110 2.279 2.179 2.425 . 0 0 "[ . 1 . 2]" 2
464 1 47 ILE MG 1 48 THR H . . 3.600 3.447 3.208 3.612 0.012 13 0 "[ . 1 . 2]" 2
465 1 44 LEU HA 1 47 ILE MG . . 4.010 4.027 3.883 4.135 0.125 8 0 "[ . 1 . 2]" 2
466 1 29 ILE MG 1 30 LEU H . . 3.350 3.049 2.625 3.218 . 0 0 "[ . 1 . 2]" 2
467 1 22 ILE HA 1 29 ILE MG . . 4.870 4.423 4.079 4.574 . 0 0 "[ . 1 . 2]" 2
468 1 29 ILE MG 1 30 LEU HA . . 4.280 4.212 3.950 4.284 0.004 15 0 "[ . 1 . 2]" 2
469 1 29 ILE HA 1 29 ILE MG . . 3.160 2.427 2.327 2.465 . 0 0 "[ . 1 . 2]" 2
470 1 50 ILE MG 1 58 PHE HB3 . . 4.720 3.551 2.770 4.425 . 0 0 "[ . 1 . 2]" 2
471 1 50 ILE MG 1 58 PHE HB2 . . 4.720 2.388 1.980 3.340 . 0 0 "[ . 1 . 2]" 2
472 1 25 ILE H 1 25 ILE MG . . 4.130 3.805 3.782 3.839 . 0 0 "[ . 1 . 2]" 2
473 1 25 ILE MG 1 26 CYS HA . . 4.000 3.471 3.303 3.703 . 0 0 "[ . 1 . 2]" 2
474 1 25 ILE HA 1 25 ILE MG . . 3.030 2.392 2.333 2.435 . 0 0 "[ . 1 . 2]" 2
475 1 25 ILE MG 1 26 CYS HB2 . . 4.970 4.675 4.475 4.801 . 0 0 "[ . 1 . 2]" 2
476 1 25 ILE MG 1 26 CYS HB3 . . 3.740 3.271 3.068 3.427 . 0 0 "[ . 1 . 2]" 2
477 1 25 ILE HG13 1 25 ILE MG . . 3.560 3.200 3.186 3.203 . 0 0 "[ . 1 . 2]" 2
478 1 50 ILE MG 1 58 PHE QD . . 4.040 2.524 1.952 3.227 . 0 0 "[ . 1 . 2]" 2
479 1 22 ILE MG 1 28 ASP HA . . 4.380 2.966 2.723 3.390 . 0 0 "[ . 1 . 2]" 2
480 1 25 ILE MG 1 46 CYS HB2 . . 4.210 4.022 3.887 4.153 . 0 0 "[ . 1 . 2]" 2
481 1 22 ILE MG 1 23 CYS H . . 3.690 1.966 1.884 2.047 . 0 0 "[ . 1 . 2]" 2
482 1 22 ILE MG 1 28 ASP H . . 4.250 2.607 2.383 3.098 . 0 0 "[ . 1 . 2]" 2
483 1 22 ILE HA 1 22 ILE MG . . 3.300 2.330 2.195 2.395 . 0 0 "[ . 1 . 2]" 2
484 1 22 ILE MG 1 27 LEU HA . . 3.250 2.063 1.922 2.482 . 0 0 "[ . 1 . 2]" 2
485 1 22 ILE HG13 1 22 ILE MG . . 3.440 3.132 2.514 3.200 . 0 0 "[ . 1 . 2]" 2
486 1 42 PHE HA 1 42 PHE QD . . 3.750 2.544 2.333 2.867 . 0 0 "[ . 1 . 2]" 2
487 1 23 CYS HA 1 42 PHE HA . . 4.060 3.769 3.525 4.001 . 0 0 "[ . 1 . 2]" 2
488 1 24 PRO QD 1 42 PHE HA . . 3.680 3.073 2.756 3.237 . 0 0 "[ . 1 . 2]" 2
489 1 30 LEU MD2 1 42 PHE HA . . 3.600 2.648 2.436 2.878 . 0 0 "[ . 1 . 2]" 2
490 1 35 THR MG 1 41 ASN HA . . 4.530 4.257 3.934 4.495 . 0 0 "[ . 1 . 2]" 2
491 1 41 ASN HA 1 42 PHE QD . . 4.400 4.148 3.745 4.400 . 0 0 "[ . 1 . 2]" 2
492 1 40 HIS HE1 1 62 LEU QB . . 4.440 2.544 2.185 2.916 . 0 0 "[ . 1 . 2]" 2
493 1 40 HIS HE1 1 63 CYS HB3 . . 3.480 2.017 1.994 2.153 . 0 0 "[ . 1 . 2]" 2
494 1 36 ILE MD 1 42 PHE QD . . 4.310 2.883 2.539 3.434 . 0 0 "[ . 1 . 2]" 2
495 1 24 PRO HB2 1 42 PHE QD . . 5.460 5.125 4.789 5.395 . 0 0 "[ . 1 . 2]" 2
496 1 50 ILE MG 1 58 PHE QE . . 5.140 4.182 3.305 4.545 . 0 0 "[ . 1 . 2]" 2
497 1 23 CYS HA 1 24 PRO QD . . 2.780 1.878 1.865 1.889 . 0 0 "[ . 1 . 2]" 2
498 1 23 CYS HA 1 30 LEU MD2 . . 3.610 3.033 2.569 3.454 . 0 0 "[ . 1 . 2]" 2
499 1 44 LEU QB 1 44 LEU MD1 . . 3.230 2.180 2.024 2.347 . 0 0 "[ . 1 . 2]" 2
500 1 44 LEU MD1 1 48 THR MG . . 4.140 3.699 3.363 3.910 . 0 0 "[ . 1 . 2]" 2
501 1 36 ILE MG 1 47 ILE MD . . 3.360 2.812 2.388 3.136 . 0 0 "[ . 1 . 2]" 2
502 1 36 ILE HG12 1 36 ILE MG . . 3.420 2.371 2.295 2.473 . 0 0 "[ . 1 . 2]" 2
503 1 13 PHE HA 1 13 PHE QD . . 3.960 2.799 2.162 3.727 . 0 0 "[ . 1 . 2]" 2
504 1 26 CYS HA 1 26 CYS HB2 . . 2.990 2.507 2.459 2.541 . 0 0 "[ . 1 . 2]" 2
505 1 18 GLN HB3 1 19 GLU H . . 5.080 4.074 3.563 4.648 . 0 0 "[ . 1 . 2]" 2
506 1 18 GLN HB2 1 19 GLU H . . 5.080 4.474 4.121 4.594 . 0 0 "[ . 1 . 2]" 2
507 1 21 VAL HA 1 22 ILE HG13 . . 5.010 3.581 3.209 4.974 . 0 0 "[ . 1 . 2]" 2
508 1 21 VAL HA 1 22 ILE HG12 . . 5.010 4.675 3.414 5.067 0.057 10 0 "[ . 1 . 2]" 2
509 1 21 VAL HA 1 22 ILE HB . . 4.980 4.724 4.642 4.966 . 0 0 "[ . 1 . 2]" 2
510 1 21 VAL HB 1 30 LEU MD1 . . 4.730 3.743 2.474 4.450 . 0 0 "[ . 1 . 2]" 2
511 1 22 ILE HG12 1 22 ILE MG . . 3.440 2.398 2.283 3.177 . 0 0 "[ . 1 . 2]" 2
512 1 22 ILE MD 1 27 LEU HB2 . . 5.500 5.486 5.418 5.504 0.004 5 0 "[ . 1 . 2]" 2
513 1 23 CYS HA 1 42 PHE QD . . 4.590 4.365 4.091 4.594 0.004 19 0 "[ . 1 . 2]" 2
514 1 23 CYS HA 1 24 PRO HG3 . . 4.650 4.316 4.314 4.320 . 0 0 "[ . 1 . 2]" 2
515 1 23 CYS HA 1 24 PRO HG2 . . 4.650 4.183 4.160 4.201 . 0 0 "[ . 1 . 2]" 2
516 1 23 CYS HB3 1 24 PRO QD . . 4.930 4.054 3.967 4.107 . 0 0 "[ . 1 . 2]" 2
517 1 23 CYS HB3 1 27 LEU HA . . 5.230 3.747 3.562 3.902 . 0 0 "[ . 1 . 2]" 2
518 1 23 CYS HB2 1 26 CYS H . . 4.940 4.193 3.987 4.314 . 0 0 "[ . 1 . 2]" 2
519 1 24 PRO HB3 1 42 PHE QE . . 5.050 4.921 4.672 5.053 0.003 5 0 "[ . 1 . 2]" 2
520 1 24 PRO HG2 1 62 LEU MD2 . . 4.780 3.493 3.087 3.781 . 0 0 "[ . 1 . 2]" 2
521 1 25 ILE HA 1 42 PHE QD . . 5.500 5.371 5.042 5.503 0.003 17 0 "[ . 1 . 2]" 2
522 1 25 ILE MG 1 42 PHE QD . . 5.100 4.639 4.369 4.802 . 0 0 "[ . 1 . 2]" 2
523 1 25 ILE HG12 1 25 ILE MG . . 3.300 2.386 2.285 2.455 . 0 0 "[ . 1 . 2]" 2
524 1 23 CYS H 1 27 LEU HA . . 4.910 3.613 3.440 3.801 . 0 0 "[ . 1 . 2]" 2
525 1 26 CYS H 1 27 LEU HA . . 4.800 4.361 4.154 4.496 . 0 0 "[ . 1 . 2]" 2
526 1 27 LEU HB3 1 27 LEU MD1 . . 3.180 2.474 2.363 2.608 . 0 0 "[ . 1 . 2]" 2
527 1 27 LEU H 1 27 LEU MD1 . . 4.860 4.367 4.155 4.456 . 0 0 "[ . 1 . 2]" 2
528 1 29 ILE HG12 1 29 ILE MG . . 3.610 2.366 2.107 3.198 . 0 0 "[ . 1 . 2]" 2
529 1 23 CYS HB3 1 30 LEU HA . . 5.250 5.048 4.970 5.106 . 0 0 "[ . 1 . 2]" 2
530 1 23 CYS HB2 1 30 LEU HG . . 4.960 2.154 2.000 2.436 . 0 0 "[ . 1 . 2]" 2
531 1 60 CYS HB3 1 64 LYS HA . . 4.830 4.234 3.986 4.553 . 0 0 "[ . 1 . 2]" 2
532 1 30 LEU HG 1 33 PRO HA . . 5.460 5.260 5.043 5.405 . 0 0 "[ . 1 . 2]" 2
533 1 30 LEU MD2 1 33 PRO HG2 . . 5.500 5.394 4.573 5.717 0.217 18 0 "[ . 1 . 2]" 2
534 1 33 PRO HG2 1 34 VAL QG . . 5.390 4.951 4.737 5.129 . 0 0 "[ . 1 . 2]" 2
535 1 35 THR HA 1 36 ILE H . . 2.980 2.162 2.142 2.209 . 0 0 "[ . 1 . 2]" 2
536 1 35 THR HA 1 41 ASN HA . . 3.390 2.806 2.638 3.097 . 0 0 "[ . 1 . 2]" 2
537 1 36 ILE HB 1 67 VAL MG1 . . 5.060 3.760 2.599 5.011 . 0 0 "[ . 1 . 2]" 2
538 1 36 ILE MG 1 60 CYS HB2 . . 5.260 4.716 4.451 4.912 . 0 0 "[ . 1 . 2]" 2
539 1 36 ILE MG 1 60 CYS HA . . 5.500 5.290 4.931 5.490 . 0 0 "[ . 1 . 2]" 2
540 1 36 ILE MD 1 58 PHE HZ . . 4.710 3.116 2.227 3.793 . 0 0 "[ . 1 . 2]" 2
541 1 37 ASP HB2 1 67 VAL HB . . 5.000 3.797 2.486 5.003 0.003 16 0 "[ . 1 . 2]" 2
542 1 37 ASP HB3 1 67 VAL HB . . 5.000 3.856 2.505 5.001 0.001 17 0 "[ . 1 . 2]" 2
543 1 37 ASP HB3 1 67 VAL HA . . 5.060 4.004 2.117 5.058 . 0 0 "[ . 1 . 2]" 2
544 1 37 ASP HB2 1 67 VAL HA . . 5.060 4.066 2.802 4.990 . 0 0 "[ . 1 . 2]" 2
545 1 38 CYS H 1 39 GLY HA3 . . 5.480 5.295 5.222 5.420 . 0 0 "[ . 1 . 2]" 2
546 1 40 HIS HB2 1 42 PHE HZ . . 5.300 3.547 3.177 4.026 . 0 0 "[ . 1 . 2]" 2
547 1 40 HIS HB3 1 42 PHE HZ . . 4.860 3.394 2.977 3.816 . 0 0 "[ . 1 . 2]" 2
548 1 36 ILE MD 1 40 HIS HB2 . . 4.890 3.139 2.852 3.679 . 0 0 "[ . 1 . 2]" 2
549 1 36 ILE MD 1 40 HIS HB3 . . 5.050 4.491 4.245 5.055 0.005 19 0 "[ . 1 . 2]" 2
550 1 24 PRO QD 1 42 PHE QE . . 5.140 3.682 3.359 3.906 . 0 0 "[ . 1 . 2]" 2
551 1 25 ILE HG13 1 42 PHE QE . . 4.850 2.645 2.135 3.002 . 0 0 "[ . 1 . 2]" 2
552 1 36 ILE HG12 1 42 PHE QE . . 4.880 3.623 3.403 3.863 . 0 0 "[ . 1 . 2]" 2
553 1 33 PRO HA 1 43 CYS HA . . 4.060 3.666 2.686 3.952 . 0 0 "[ . 1 . 2]" 2
554 1 30 LEU MD1 1 43 CYS HA . . 4.640 4.652 4.447 4.830 0.190 17 0 "[ . 1 . 2]" 2
555 1 30 LEU MD2 1 43 CYS HB2 . . 4.500 2.441 2.236 2.663 . 0 0 "[ . 1 . 2]" 2
556 1 44 LEU HA 1 48 THR MG . . 5.500 5.377 4.828 5.501 0.001 5 0 "[ . 1 . 2]" 2
557 1 44 LEU HG 1 45 LYS H . . 4.910 3.474 3.152 3.911 . 0 0 "[ . 1 . 2]" 2
558 1 44 LEU H 1 44 LEU MD1 . . 4.650 3.954 3.660 4.147 . 0 0 "[ . 1 . 2]" 2
559 1 44 LEU MD1 1 47 ILE HB . . 4.070 3.521 3.224 3.905 . 0 0 "[ . 1 . 2]" 2
560 1 44 LEU MD2 1 45 LYS HA . . 5.040 4.294 3.712 4.668 . 0 0 "[ . 1 . 2]" 2
561 1 44 LEU MD1 1 45 LYS HA . . 5.500 4.928 4.345 5.229 . 0 0 "[ . 1 . 2]" 2
562 1 45 LYS HB2 1 46 CYS H . . 5.110 3.113 2.691 4.287 . 0 0 "[ . 1 . 2]" 2
563 1 45 LYS HB3 1 46 CYS H . . 5.110 3.752 3.114 3.961 . 0 0 "[ . 1 . 2]" 2
564 1 43 CYS H 1 46 CYS HB2 . . 4.980 2.800 2.646 2.994 . 0 0 "[ . 1 . 2]" 2
565 1 43 CYS H 1 46 CYS HB3 . . 5.210 3.943 3.781 4.198 . 0 0 "[ . 1 . 2]" 2
566 1 42 PHE QD 1 47 ILE MG . . 5.130 4.574 4.381 4.830 . 0 0 "[ . 1 . 2]" 2
567 1 47 ILE MG 1 58 PHE QE . . 4.790 2.653 2.246 3.366 . 0 0 "[ . 1 . 2]" 2
568 1 47 ILE MG 1 58 PHE HZ . . 4.970 2.616 2.013 3.661 . 0 0 "[ . 1 . 2]" 2
569 1 42 PHE HB2 1 47 ILE MG . . 4.840 4.163 3.980 4.422 . 0 0 "[ . 1 . 2]" 2
570 1 47 ILE MD 1 58 PHE HZ . . 4.740 3.790 3.042 4.647 . 0 0 "[ . 1 . 2]" 2
571 1 50 ILE H 1 50 ILE HG13 . . 4.680 2.032 1.900 3.501 . 0 0 "[ . 1 . 2]" 2
572 1 50 ILE H 1 50 ILE MG . . 4.670 3.772 3.763 3.782 . 0 0 "[ . 1 . 2]" 2
573 1 47 ILE HA 1 50 ILE MG . . 4.630 4.408 4.177 4.638 0.008 15 0 "[ . 1 . 2]" 2
574 1 42 PHE QD 1 50 ILE MD . . 5.150 4.449 4.234 4.817 . 0 0 "[ . 1 . 2]" 2
575 1 25 ILE HG12 1 50 ILE MD . . 5.330 4.254 3.809 4.693 . 0 0 "[ . 1 . 2]" 2
576 1 50 ILE MG 1 51 GLY QA . . 4.950 3.340 2.994 3.514 . 0 0 "[ . 1 . 2]" 2
577 1 58 PHE QD 1 60 CYS HA . . 4.790 4.016 3.481 4.424 . 0 0 "[ . 1 . 2]" 2
578 1 36 ILE MD 1 58 PHE QD . . 5.230 4.692 4.258 4.939 . 0 0 "[ . 1 . 2]" 2
579 1 59 LYS QE 1 64 LYS HA . . 5.030 3.844 2.232 4.727 . 0 0 "[ . 1 . 2]" 2
580 1 60 CYS HB2 1 63 CYS H . . 5.370 4.234 3.945 4.498 . 0 0 "[ . 1 . 2]" 2
581 1 60 CYS HB2 1 65 THR H . . 5.500 4.595 4.126 5.112 . 0 0 "[ . 1 . 2]" 2
582 1 63 CYS HB2 1 65 THR H . . 5.500 4.232 3.143 5.036 . 0 0 "[ . 1 . 2]" 2
583 1 60 CYS HB3 1 65 THR H . . 4.850 3.174 2.686 3.750 . 0 0 "[ . 1 . 2]" 2
584 1 42 PHE QE 1 61 PRO HG2 . . 4.960 2.585 2.192 2.992 . 0 0 "[ . 1 . 2]" 2
585 1 42 PHE QE 1 61 PRO HG3 . . 4.960 3.475 3.164 3.842 . 0 0 "[ . 1 . 2]" 2
586 1 60 CYS HA 1 61 PRO HG3 . . 5.140 4.351 4.323 4.363 . 0 0 "[ . 1 . 2]" 2
587 1 60 CYS HA 1 61 PRO HG2 . . 5.140 4.316 4.243 4.345 . 0 0 "[ . 1 . 2]" 2
588 1 42 PHE QE 1 61 PRO HD2 . . 4.920 2.829 2.425 3.080 . 0 0 "[ . 1 . 2]" 2
589 1 24 PRO QD 1 62 LEU MD1 . . 5.200 3.700 3.491 4.312 . 0 0 "[ . 1 . 2]" 2
590 1 32 LYS QB 1 33 PRO HD3 . . 4.750 4.439 4.381 4.487 . 0 0 "[ . 1 . 2]" 2
591 1 18 GLN QG 1 19 GLU H . . 4.650 4.304 3.687 4.658 0.008 2 0 "[ . 1 . 2]" 2
592 1 57 PHE HB2 1 58 PHE H . . 5.000 4.214 3.018 4.592 . 0 0 "[ . 1 . 2]" 2
593 1 57 PHE HB3 1 58 PHE H . . 5.000 3.901 3.221 4.473 . 0 0 "[ . 1 . 2]" 2
594 1 31 GLN HB2 1 32 LYS QG . . 5.110 4.175 2.933 5.135 0.025 6 0 "[ . 1 . 2]" 2
595 1 31 GLN HB3 1 32 LYS QG . . 5.110 3.347 2.388 4.839 . 0 0 "[ . 1 . 2]" 2
596 1 64 LYS HA 1 64 LYS HD3 . . 4.730 3.884 2.182 4.615 . 0 0 "[ . 1 . 2]" 2
597 1 40 HIS HE1 1 63 CYS H . . 5.130 3.517 2.840 4.142 . 0 0 "[ . 1 . 2]" 2
598 1 14 VAL H 1 14 VAL MG1 . . 4.620 2.813 1.958 3.838 . 0 0 "[ . 1 . 2]" 2
599 1 22 ILE H 1 22 ILE MD . . 4.250 3.826 3.644 4.046 . 0 0 "[ . 1 . 2]" 2
600 1 34 VAL H 1 41 ASN HA . . 5.170 3.627 3.164 4.184 . 0 0 "[ . 1 . 2]" 2
601 1 23 CYS H 1 30 LEU HG . . 4.990 2.511 2.189 2.793 . 0 0 "[ . 1 . 2]" 2
602 1 42 PHE HB3 1 46 CYS HB2 . . 4.330 3.434 3.305 3.554 . 0 0 "[ . 1 . 2]" 2
603 1 42 PHE HB3 1 46 CYS HB3 . . 4.560 3.583 3.323 3.716 . 0 0 "[ . 1 . 2]" 2
604 1 42 PHE HB3 1 47 ILE MG . . 5.320 4.844 4.662 4.960 . 0 0 "[ . 1 . 2]" 2
605 1 49 GLN HB2 1 50 ILE H . . 4.810 3.294 2.513 4.009 . 0 0 "[ . 1 . 2]" 2
606 1 49 GLN HB3 1 50 ILE H . . 4.810 2.760 2.218 3.600 . 0 0 "[ . 1 . 2]" 2
607 1 46 CYS HA 1 49 GLN HG2 . . 5.430 4.550 2.070 5.251 . 0 0 "[ . 1 . 2]" 2
608 1 46 CYS HA 1 49 GLN HG3 . . 5.430 4.384 3.484 5.236 . 0 0 "[ . 1 . 2]" 2
609 1 47 ILE HA 1 50 ILE HB . . 4.690 3.299 2.897 3.631 . 0 0 "[ . 1 . 2]" 2
610 1 47 ILE HA 1 50 ILE HG12 . . 4.880 4.696 2.620 4.876 . 0 0 "[ . 1 . 2]" 2
611 1 56 GLY HA2 1 57 PHE QD . . 5.270 4.898 3.497 5.291 0.021 14 0 "[ . 1 . 2]" 2
612 1 50 ILE HB 1 58 PHE QD . . 5.070 3.514 2.710 4.682 . 0 0 "[ . 1 . 2]" 2
613 1 42 PHE HZ 1 62 LEU QB . . 5.380 2.394 1.986 2.865 . 0 0 "[ . 1 . 2]" 2
614 1 56 GLY HA3 1 57 PHE QD . . 5.270 4.022 2.540 5.097 . 0 0 "[ . 1 . 2]" 2
615 1 56 GLY HA2 1 69 LYS QD . . 5.500 3.614 1.956 5.017 . 0 0 "[ . 1 . 2]" 2
616 1 58 PHE QE 1 69 LYS QD . . 5.500 3.813 2.043 5.210 . 0 0 "[ . 1 . 2]" 2
617 1 58 PHE QD 1 69 LYS QD . . 4.970 4.031 2.407 4.884 . 0 0 "[ . 1 . 2]" 2
618 1 56 GLY HA3 1 69 LYS QD . . 5.500 4.088 2.064 5.292 . 0 0 "[ . 1 . 2]" 2
619 1 69 LYS QE 1 69 LYS HG2 . . 3.610 2.820 2.130 3.466 . 0 0 "[ . 1 . 2]" 2
620 1 58 PHE QD 1 69 LYS QE . . 4.730 3.654 1.889 4.731 0.001 10 0 "[ . 1 . 2]" 2
621 1 63 CYS HB2 1 65 THR HA . . 5.500 5.328 4.821 5.504 0.004 14 0 "[ . 1 . 2]" 2
622 1 65 THR H 1 65 THR MG . . 4.800 3.195 1.933 3.896 . 0 0 "[ . 1 . 2]" 2
623 1 57 PHE QD 1 68 ARG HA . . 5.060 3.335 2.259 4.775 . 0 0 "[ . 1 . 2]" 2
624 1 57 PHE HA 1 68 ARG HA . . 4.680 3.484 2.302 4.204 . 0 0 "[ . 1 . 2]" 2
625 1 42 PHE QE 1 62 LEU HG . . 5.000 2.709 2.132 4.605 . 0 0 "[ . 1 . 2]" 2
626 1 62 LEU HG 1 63 CYS H . . 5.430 4.587 4.327 4.951 . 0 0 "[ . 1 . 2]" 2
627 1 26 CYS HA 1 27 LEU HG . . 4.320 3.497 3.275 3.827 . 0 0 "[ . 1 . 2]" 2
628 1 44 LEU HG 1 45 LYS HA . . 4.670 3.636 3.285 4.009 . 0 0 "[ . 1 . 2]" 2
629 1 44 LEU HG 1 48 THR H . . 4.800 4.152 3.768 4.464 . 0 0 "[ . 1 . 2]" 2
630 1 8 MET ME 1 8 MET QG . . 3.030 2.182 1.994 2.397 . 0 0 "[ . 1 . 2]" 2
631 1 12 GLN H 1 12 GLN QG . . 4.850 3.329 2.200 4.421 . 0 0 "[ . 1 . 2]" 2
632 1 12 GLN QB 1 13 PHE H . . 4.410 3.125 2.312 4.048 . 0 0 "[ . 1 . 2]" 2
633 1 13 PHE H 1 13 PHE QB . . 3.590 2.605 2.212 3.243 . 0 0 "[ . 1 . 2]" 2
634 1 13 PHE QB 1 14 VAL H . . 3.910 3.119 2.175 3.899 . 0 0 "[ . 1 . 2]" 2
635 1 14 VAL H 1 14 VAL QG . . 3.960 2.205 1.827 2.716 . 0 0 "[ . 1 . 2]" 2
636 1 16 LYS H 1 16 LYS QB . . 3.560 2.561 2.179 3.241 . 0 0 "[ . 1 . 2]" 2
637 1 16 LYS QB 1 17 LEU H . . 3.830 3.257 2.219 3.861 0.031 8 0 "[ . 1 . 2]" 2
638 1 17 LEU H 1 17 LEU QB . . 2.890 2.559 2.143 3.068 0.178 3 0 "[ . 1 . 2]" 2
639 1 17 LEU H 1 17 LEU QD . . 4.360 3.233 1.667 4.047 . 0 0 "[ . 1 . 2]" 2
640 1 17 LEU HA 1 17 LEU QD . . 3.560 2.683 1.950 3.412 . 0 0 "[ . 1 . 2]" 2
641 1 17 LEU QB 1 18 GLN H . . 3.870 3.153 2.013 3.899 0.029 16 0 "[ . 1 . 2]" 2
642 1 17 LEU QB 1 19 GLU H . . 5.040 4.380 3.611 4.770 . 0 0 "[ . 1 . 2]" 2
643 1 17 LEU QD 1 18 GLN HA . . 4.390 3.699 2.743 4.382 . 0 0 "[ . 1 . 2]" 2
644 1 17 LEU QD 1 18 GLN QG . . 5.000 4.288 3.379 4.739 . 0 0 "[ . 1 . 2]" 2
645 1 17 LEU QD 1 19 GLU H . . 4.800 3.277 1.834 4.665 . 0 0 "[ . 1 . 2]" 2
646 1 17 LEU QD 1 19 GLU QB . . 5.280 3.189 1.964 5.015 . 0 0 "[ . 1 . 2]" 2
647 1 18 GLN H 1 18 GLN QB . . 3.170 2.573 2.228 3.208 0.038 2 0 "[ . 1 . 2]" 2
648 1 19 GLU H 1 19 GLU QB . . 2.990 2.436 2.203 2.770 . 0 0 "[ . 1 . 2]" 2
649 1 20 GLU H 1 20 GLU QB . . 2.930 2.498 2.287 2.805 . 0 0 "[ . 1 . 2]" 2
650 1 20 GLU H 1 21 VAL QG . . 5.170 5.364 4.465 5.688 0.518 3 1 "[ + . 1 . 2]" 2
651 1 20 GLU HA 1 21 VAL QG . . 4.050 3.743 3.352 4.034 . 0 0 "[ . 1 . 2]" 2
652 1 20 GLU QB 1 21 VAL H . . 3.460 2.788 2.089 3.322 . 0 0 "[ . 1 . 2]" 2
653 1 20 GLU QB 1 21 VAL QG . . 5.230 3.865 3.260 4.514 . 0 0 "[ . 1 . 2]" 2
654 1 20 GLU QB 1 29 ILE MG . . 4.750 2.880 2.281 3.739 . 0 0 "[ . 1 . 2]" 2
655 1 20 GLU QB 1 29 ILE MD . . 5.340 4.173 3.038 4.828 . 0 0 "[ . 1 . 2]" 2
656 1 20 GLU QG 1 21 VAL H . . 4.570 4.045 3.133 4.448 . 0 0 "[ . 1 . 2]" 2
657 1 21 VAL H 1 21 VAL QG . . 2.880 2.214 1.902 2.729 . 0 0 "[ . 1 . 2]" 2
658 1 21 VAL HA 1 21 VAL QG . . 2.820 2.189 2.046 2.359 . 0 0 "[ . 1 . 2]" 2
659 1 21 VAL HA 1 22 ILE QG . . 4.410 3.362 3.134 3.506 . 0 0 "[ . 1 . 2]" 2
660 1 21 VAL HB 1 30 LEU QB . . 5.340 4.043 2.667 4.970 . 0 0 "[ . 1 . 2]" 2
661 1 21 VAL QG 1 22 ILE H . . 3.240 2.201 1.868 2.575 . 0 0 "[ . 1 . 2]" 2
662 1 21 VAL QG 1 22 ILE HA . . 4.620 3.484 3.303 3.718 . 0 0 "[ . 1 . 2]" 2
663 1 21 VAL QG 1 30 LEU QB . . 4.600 2.222 1.866 3.266 . 0 0 "[ . 1 . 2]" 2
664 1 21 VAL QG 1 33 PRO QB . . 4.590 3.093 2.636 3.940 . 0 0 "[ . 1 . 2]" 2
665 1 21 VAL QG 1 41 ASN HB2 . . 4.590 3.444 2.726 3.945 . 0 0 "[ . 1 . 2]" 2
666 1 21 VAL QG 1 41 ASN HB3 . . 4.850 3.709 3.233 4.059 . 0 0 "[ . 1 . 2]" 2
667 1 21 VAL QG 1 41 ASN HD21 . . 5.180 4.628 4.134 5.173 . 0 0 "[ . 1 . 2]" 2
668 1 22 ILE H 1 22 ILE QG . . 3.070 2.514 2.214 2.688 . 0 0 "[ . 1 . 2]" 2
669 1 22 ILE MG 1 29 ILE QG . . 4.290 3.868 3.378 4.137 . 0 0 "[ . 1 . 2]" 2
670 1 22 ILE QG 1 29 ILE HA . . 4.720 2.935 2.416 3.921 . 0 0 "[ . 1 . 2]" 2
671 1 22 ILE QG 1 30 LEU H . . 4.980 3.816 3.555 4.382 . 0 0 "[ . 1 . 2]" 2
672 1 23 CYS HA 1 24 PRO QG . . 4.060 3.782 3.772 3.791 . 0 0 "[ . 1 . 2]" 2
673 1 23 CYS HB2 1 43 CYS QB . . 4.430 2.221 1.988 2.654 . 0 0 "[ . 1 . 2]" 2
674 1 23 CYS HB3 1 43 CYS QB . . 4.660 3.487 3.204 3.865 . 0 0 "[ . 1 . 2]" 2
675 1 24 PRO HA 1 62 LEU QD . . 5.250 4.477 4.057 4.785 . 0 0 "[ . 1 . 2]" 2
676 1 24 PRO HB2 1 62 LEU QD . . 3.580 2.487 1.997 2.785 . 0 0 "[ . 1 . 2]" 2
677 1 24 PRO QG 1 25 ILE H . . 4.250 3.343 3.294 3.448 . 0 0 "[ . 1 . 2]" 2
678 1 24 PRO QG 1 25 ILE HG13 . . 3.960 2.684 2.591 2.765 . 0 0 "[ . 1 . 2]" 2
679 1 24 PRO QG 1 42 PHE QD . . 4.480 2.886 2.596 3.211 . 0 0 "[ . 1 . 2]" 2
680 1 24 PRO QG 1 42 PHE QE . . 3.710 2.152 1.987 2.282 . 0 0 "[ . 1 . 2]" 2
681 1 24 PRO QG 1 62 LEU QD . . 3.120 2.027 1.859 2.365 . 0 0 "[ . 1 . 2]" 2
682 1 24 PRO QD 1 62 LEU QD . . 4.330 3.549 3.384 3.880 . 0 0 "[ . 1 . 2]" 2
683 1 25 ILE HA 1 62 LEU QD . . 5.440 5.116 4.379 5.425 . 0 0 "[ . 1 . 2]" 2
684 1 25 ILE HG12 1 61 PRO QG . . 4.410 2.893 2.319 3.390 . 0 0 "[ . 1 . 2]" 2
685 1 25 ILE MD 1 50 ILE QG . . 3.970 3.459 3.184 3.768 . 0 0 "[ . 1 . 2]" 2
686 1 25 ILE MD 1 61 PRO QB . . 4.520 3.419 2.985 4.013 . 0 0 "[ . 1 . 2]" 2
687 1 25 ILE MD 1 61 PRO QD . . 4.480 3.350 2.971 3.767 . 0 0 "[ . 1 . 2]" 2
688 1 28 ASP H 1 28 ASP QB . . 3.200 2.569 2.385 2.832 . 0 0 "[ . 1 . 2]" 2
689 1 29 ILE HA 1 29 ILE QG . . 3.380 2.513 2.409 3.089 . 0 0 "[ . 1 . 2]" 2
690 1 29 ILE QG 1 29 ILE MG . . 3.120 2.195 2.076 2.363 . 0 0 "[ . 1 . 2]" 2
691 1 30 LEU HA 1 43 CYS QB . . 4.840 2.994 2.799 3.200 . 0 0 "[ . 1 . 2]" 2
692 1 30 LEU QB 1 30 LEU MD1 . . 3.250 2.049 1.940 2.100 . 0 0 "[ . 1 . 2]" 2
693 1 30 LEU QB 1 33 PRO HA . . 4.660 3.373 3.104 3.705 . 0 0 "[ . 1 . 2]" 2
694 1 30 LEU QB 1 33 PRO QB . . 4.120 2.814 2.127 3.098 . 0 0 "[ . 1 . 2]" 2
695 1 30 LEU MD1 1 43 CYS QB . . 4.260 3.925 3.711 4.084 . 0 0 "[ . 1 . 2]" 2
696 1 30 LEU MD2 1 43 CYS QB . . 3.950 1.808 1.724 1.936 . 0 0 "[ . 1 . 2]" 2
697 1 31 GLN HA 1 31 GLN QG . . 3.650 2.574 2.169 3.340 . 0 0 "[ . 1 . 2]" 2
698 1 35 THR MG 1 39 GLY QA . . 3.160 2.213 1.925 2.611 . 0 0 "[ . 1 . 2]" 2
699 1 36 ILE HB 1 67 VAL QG . . 4.280 2.994 1.969 3.942 . 0 0 "[ . 1 . 2]" 2
700 1 36 ILE MD 1 67 VAL QG . . 4.490 2.827 1.934 3.591 . 0 0 "[ . 1 . 2]" 2
701 1 37 ASP QB 1 38 CYS H . . 3.430 2.538 2.462 2.631 . 0 0 "[ . 1 . 2]" 2
702 1 37 ASP QB 1 67 VAL QG . . 3.630 1.979 1.623 2.575 . 0 0 "[ . 1 . 2]" 2
703 1 38 CYS H 1 38 CYS QB . . 3.490 2.192 2.150 2.228 . 0 0 "[ . 1 . 2]" 2
704 1 38 CYS H 1 39 GLY QA . . 4.630 4.571 4.496 4.696 0.066 19 0 "[ . 1 . 2]" 2
705 1 38 CYS H 1 67 VAL QG . . 3.450 2.822 2.030 3.412 . 0 0 "[ . 1 . 2]" 2
706 1 38 CYS QB 1 39 GLY H . . 4.450 3.433 3.283 3.520 . 0 0 "[ . 1 . 2]" 2
707 1 38 CYS QB 1 40 HIS H . . 4.680 3.910 3.740 4.425 . 0 0 "[ . 1 . 2]" 2
708 1 38 CYS QB 1 65 THR HA . . 5.340 5.345 4.779 6.153 0.813 10 4 "[ - + ** 2]" 2
709 1 38 CYS QB 1 65 THR HB . . 4.410 3.131 2.197 4.409 . 0 0 "[ . 1 . 2]" 2
710 1 38 CYS QB 1 65 THR MG . . 3.630 2.818 1.776 3.565 . 0 0 "[ . 1 . 2]" 2
711 1 39 GLY H 1 39 GLY QA . . 2.570 2.327 2.315 2.350 . 0 0 "[ . 1 . 2]" 2
712 1 40 HIS HB2 1 62 LEU QD . . 4.450 3.215 2.895 3.803 . 0 0 "[ . 1 . 2]" 2
713 1 40 HIS HB3 1 62 LEU QD . . 3.840 2.248 1.970 2.895 . 0 0 "[ . 1 . 2]" 2
714 1 40 HIS HD2 1 62 LEU QD . . 4.420 3.643 2.956 4.133 . 0 0 "[ . 1 . 2]" 2
715 1 40 HIS HE1 1 62 LEU QD . . 5.030 3.494 3.174 3.772 . 0 0 "[ . 1 . 2]" 2
716 1 41 ASN H 1 62 LEU QD . . 4.710 3.983 3.585 4.465 . 0 0 "[ . 1 . 2]" 2
717 1 42 PHE HB2 1 47 ILE QG . . 4.470 2.100 1.967 2.251 . 0 0 "[ . 1 . 2]" 2
718 1 42 PHE HB3 1 47 ILE QG . . 4.780 2.218 2.089 2.308 . 0 0 "[ . 1 . 2]" 2
719 1 42 PHE QD 1 47 ILE QG . . 4.910 3.095 2.823 3.340 . 0 0 "[ . 1 . 2]" 2
720 1 42 PHE QE 1 61 PRO QB . . 5.340 4.107 3.815 4.505 . 0 0 "[ . 1 . 2]" 2
721 1 42 PHE QE 1 61 PRO QG . . 4.330 2.517 2.160 2.878 . 0 0 "[ . 1 . 2]" 2
722 1 42 PHE QE 1 61 PRO QD . . 4.240 2.784 2.399 3.017 . 0 0 "[ . 1 . 2]" 2
723 1 42 PHE QE 1 62 LEU QD . . 3.470 2.393 1.777 2.706 . 0 0 "[ . 1 . 2]" 2
724 1 42 PHE HZ 1 61 PRO QG . . 4.710 2.446 2.197 2.695 . 0 0 "[ . 1 . 2]" 2
725 1 42 PHE HZ 1 61 PRO QD . . 3.910 2.624 2.271 2.972 . 0 0 "[ . 1 . 2]" 2
726 1 42 PHE HZ 1 62 LEU QD . . 4.070 2.224 1.989 2.590 . 0 0 "[ . 1 . 2]" 2
727 1 43 CYS QB 1 44 LEU H . . 4.030 3.116 3.029 3.171 . 0 0 "[ . 1 . 2]" 2
728 1 43 CYS QB 1 45 LYS H . . 4.700 3.713 3.445 3.917 . 0 0 "[ . 1 . 2]" 2
729 1 43 CYS QB 1 45 LYS QG . . 5.180 4.055 3.784 4.612 . 0 0 "[ . 1 . 2]" 2
730 1 43 CYS QB 1 46 CYS H . . 5.100 3.844 3.823 3.869 . 0 0 "[ . 1 . 2]" 2
731 1 43 CYS QB 1 46 CYS HB2 . . 3.990 3.714 3.698 3.729 . 0 0 "[ . 1 . 2]" 2
732 1 43 CYS QB 1 46 CYS HB3 . . 5.340 5.188 5.171 5.207 . 0 0 "[ . 1 . 2]" 2
733 1 44 LEU HA 1 47 ILE QG . . 5.340 3.888 3.712 4.037 . 0 0 "[ . 1 . 2]" 2
734 1 45 LYS H 1 45 LYS QG . . 4.080 2.344 1.866 3.829 . 0 0 "[ . 1 . 2]" 2
735 1 45 LYS HA 1 45 LYS QG . . 3.650 2.723 2.428 3.223 . 0 0 "[ . 1 . 2]" 2
736 1 45 LYS QB 1 46 CYS H . . 4.400 2.820 2.640 3.078 . 0 0 "[ . 1 . 2]" 2
737 1 46 CYS HA 1 49 GLN QB . . 3.650 2.533 2.297 2.917 . 0 0 "[ . 1 . 2]" 2
738 1 46 CYS HA 1 49 GLN QG . . 4.630 3.879 2.060 4.439 . 0 0 "[ . 1 . 2]" 2
739 1 47 ILE H 1 47 ILE QG . . 3.480 1.955 1.877 2.114 . 0 0 "[ . 1 . 2]" 2
740 1 47 ILE HA 1 50 ILE QG . . 4.260 3.565 2.381 3.837 . 0 0 "[ . 1 . 2]" 2
741 1 47 ILE QG 1 50 ILE MD . . 5.340 3.405 2.950 4.786 . 0 0 "[ . 1 . 2]" 2
742 1 48 THR H 1 49 GLN QB . . 4.850 4.310 4.154 4.466 . 0 0 "[ . 1 . 2]" 2
743 1 49 GLN H 1 49 GLN QG . . 4.050 3.385 2.464 4.049 . 0 0 "[ . 1 . 2]" 2
744 1 49 GLN HA 1 49 GLN QG . . 3.500 2.622 2.258 3.264 . 0 0 "[ . 1 . 2]" 2
745 1 49 GLN QB 1 50 ILE H . . 4.190 2.476 2.193 3.356 . 0 0 "[ . 1 . 2]" 2
746 1 50 ILE H 1 50 ILE QG . . 4.070 1.942 1.888 2.063 . 0 0 "[ . 1 . 2]" 2
747 1 50 ILE QG 1 50 ILE MG . . 3.280 2.172 2.053 2.276 . 0 0 "[ . 1 . 2]" 2
748 1 50 ILE MG 1 58 PHE QB . . 4.090 2.348 1.954 3.203 . 0 0 "[ . 1 . 2]" 2
749 1 50 ILE MG 1 61 PRO QD . . 5.060 3.913 3.351 4.429 . 0 0 "[ . 1 . 2]" 2
750 1 50 ILE QG 1 61 PRO QB . . 5.020 4.511 3.779 5.142 0.122 17 0 "[ . 1 . 2]" 2
751 1 50 ILE MD 1 61 PRO QG . . 3.850 2.801 2.091 3.460 . 0 0 "[ . 1 . 2]" 2
752 1 50 ILE MD 1 61 PRO QD . . 3.990 2.845 2.387 3.544 . 0 0 "[ . 1 . 2]" 2
753 1 52 GLU H 1 52 GLU QB . . 3.220 2.498 2.140 3.227 0.007 18 0 "[ . 1 . 2]" 2
754 1 52 GLU H 1 52 GLU QG . . 3.730 2.703 1.899 3.794 0.064 4 0 "[ . 1 . 2]" 2
755 1 52 GLU HA 1 52 GLU QG . . 3.640 2.809 2.228 3.425 . 0 0 "[ . 1 . 2]" 2
756 1 56 GLY QA 1 57 PHE QD . . 4.600 3.765 2.504 4.621 0.021 14 0 "[ . 1 . 2]" 2
757 1 56 GLY QA 1 69 LYS QB . . 4.560 3.574 1.877 4.470 . 0 0 "[ . 1 . 2]" 2
758 1 56 GLY QA 1 69 LYS QD . . 4.820 3.261 1.892 4.437 . 0 0 "[ . 1 . 2]" 2
759 1 57 PHE QE 1 68 ARG QG . . 4.950 3.016 1.945 4.322 . 0 0 "[ . 1 . 2]" 2
760 1 57 PHE HZ 1 68 ARG QG . . 4.970 4.162 2.439 4.970 0.000 1 0 "[ . 1 . 2]" 2
761 1 58 PHE QB 1 59 LYS H . . 4.330 3.278 2.756 3.542 . 0 0 "[ . 1 . 2]" 2
762 1 58 PHE QD 1 61 PRO QD . . 4.920 3.826 3.181 4.225 . 0 0 "[ . 1 . 2]" 2
763 1 58 PHE QE 1 61 PRO QD . . 5.100 3.577 2.036 4.246 . 0 0 "[ . 1 . 2]" 2
764 1 59 LYS QB 1 64 LYS HA . . 3.790 3.345 2.655 3.791 0.001 1 0 "[ . 1 . 2]" 2
765 1 59 LYS QG 1 64 LYS HA . . 4.700 4.187 1.994 4.704 0.004 19 0 "[ . 1 . 2]" 2
766 1 60 CYS HA 1 61 PRO QG . . 4.450 3.860 3.815 3.879 . 0 0 "[ . 1 . 2]" 2
767 1 60 CYS HB2 1 67 VAL QG . . 4.670 3.624 2.748 4.516 . 0 0 "[ . 1 . 2]" 2
768 1 60 CYS HB3 1 67 VAL QG . . 5.110 4.170 3.113 4.919 . 0 0 "[ . 1 . 2]" 2
769 1 61 PRO QB 1 62 LEU HG . . 5.340 3.976 3.651 5.097 . 0 0 "[ . 1 . 2]" 2
770 1 61 PRO QB 1 62 LEU QD . . 4.390 3.945 2.962 4.253 . 0 0 "[ . 1 . 2]" 2
771 1 61 PRO QG 1 62 LEU H . . 4.790 2.169 1.889 3.083 . 0 0 "[ . 1 . 2]" 2
772 1 61 PRO QG 1 62 LEU QD . . 3.840 3.347 2.023 3.661 . 0 0 "[ . 1 . 2]" 2
773 1 61 PRO QD 1 62 LEU H . . 4.520 2.664 2.603 2.830 . 0 0 "[ . 1 . 2]" 2
774 1 61 PRO QD 1 62 LEU QD . . 4.760 4.144 3.438 4.389 . 0 0 "[ . 1 . 2]" 2
775 1 62 LEU HA 1 62 LEU QD . . 2.860 2.195 1.975 2.634 . 0 0 "[ . 1 . 2]" 2
776 1 64 LYS H 1 64 LYS QG . . 4.360 2.902 2.074 4.000 . 0 0 "[ . 1 . 2]" 2
777 1 64 LYS HA 1 64 LYS QG . . 3.540 2.423 2.141 2.873 . 0 0 "[ . 1 . 2]" 2
778 1 64 LYS HA 1 64 LYS QD . . 4.040 3.233 1.989 4.051 0.011 6 0 "[ . 1 . 2]" 2
779 1 67 VAL QG 1 68 ARG H . . 4.310 2.588 1.897 3.740 . 0 0 "[ . 1 . 2]" 2
780 1 68 ARG H 1 68 ARG QB . . 3.540 2.639 2.198 3.174 . 0 0 "[ . 1 . 2]" 2
781 1 68 ARG H 1 68 ARG QG . . 4.150 3.198 2.139 4.139 . 0 0 "[ . 1 . 2]" 2
782 1 69 LYS H 1 69 LYS QB . . 3.490 2.495 2.149 3.204 . 0 0 "[ . 1 . 2]" 2
783 1 69 LYS H 1 69 LYS QG . . 4.310 3.118 1.885 4.077 . 0 0 "[ . 1 . 2]" 2
784 1 69 LYS HA 1 69 LYS QG . . 3.720 2.645 2.225 3.437 . 0 0 "[ . 1 . 2]" 2
785 1 69 LYS QB 1 69 LYS QE . . 4.170 3.069 2.003 3.751 . 0 0 "[ . 1 . 2]" 2
786 1 72 ILE H 1 72 ILE QG . . 4.160 3.038 1.891 4.093 . 0 0 "[ . 1 . 2]" 2
787 1 73 ARG H 1 73 ARG QB . . 3.550 2.556 2.122 3.268 . 0 0 "[ . 1 . 2]" 2
788 1 73 ARG QB 1 73 ARG QG . . 2.410 2.055 2.017 2.087 . 0 0 "[ . 1 . 2]" 2
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