NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
460250 |
1x62   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x62
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 22
_Distance_constraint_stats_list.Viol_count 385
_Distance_constraint_stats_list.Viol_total 2462.880
_Distance_constraint_stats_list.Viol_max 0.821
_Distance_constraint_stats_list.Viol_rms 0.2879
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2799
_Distance_constraint_stats_list.Viol_average_violations_only 0.3199
_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 18 CYS 21.716 0.816 2 20 [*+**-***************]
1 21 CYS 26.706 0.821 7 20 [******+*****-*******]
1 38 HIS 28.147 0.817 10 20 [*********+**-*******]
1 41 CYS 43.516 0.821 7 20 [****-*+*************]
1 44 CYS 31.527 0.799 8 20 [*******+*********-**]
1 47 CYS 29.209 0.808 18 18 "[*** .************+-*]"
1 59 VAL 1.657 0.154 12 0 "[ . 1 . 2]"
1 60 GLU 3.614 0.158 16 0 "[ . 1 . 2]"
1 62 GLN 1.957 0.158 16 0 "[ . 1 . 2]"
1 65 CYS 30.698 0.808 18 18 "[*** .********-***+**]"
1 68 HIS 24.488 0.791 13 16 "[*********1**+** -*]"
2 1 ZN 2.416 0.073 2 0 "[ . 1 . 2]"
3 1 ZN 0.638 0.046 17 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 18 CYS SG 2 1 ZN ZN . . 2.330 2.336 2.328 2.347 0.017 2 0 "[ . 1 . 2]" 1
2 1 21 CYS SG 2 1 ZN ZN . . 2.330 2.336 2.314 2.377 0.047 11 0 "[ . 1 . 2]" 1
3 1 41 CYS SG 2 1 ZN ZN . . 2.330 2.383 2.374 2.403 0.073 2 0 "[ . 1 . 2]" 1
4 1 38 HIS ND1 2 1 ZN ZN . . 2.030 2.082 2.066 2.093 0.063 2 0 "[ . 1 . 2]" 1
5 1 18 CYS SG 1 21 CYS SG . . 3.200 3.356 3.201 3.659 0.459 17 0 "[ . 1 . 2]" 1
6 1 18 CYS SG 1 41 CYS SG . . 3.200 3.950 3.746 4.016 0.816 2 20 [*+**-***************] 1
7 1 18 CYS SG 1 38 HIS ND1 . . 3.200 3.374 3.192 3.790 0.590 17 1 "[ . 1 . + 2]" 1
8 1 21 CYS SG 1 41 CYS SG . . 3.200 3.880 3.418 4.021 0.821 7 16 "[* ***+**1******-* *]" 1
9 1 21 CYS SG 1 38 HIS ND1 . . 3.200 3.690 3.263 4.017 0.817 10 8 "[ ** * +* - .* *2]" 1
10 1 38 HIS ND1 1 41 CYS SG . . 3.200 3.892 3.642 3.981 0.781 18 19 "[*************-** +**]" 1
11 1 44 CYS SG 3 1 ZN ZN . . 2.330 2.330 2.325 2.339 0.009 17 0 "[ . 1 . 2]" 1
12 1 47 CYS SG 3 1 ZN ZN . . 2.330 2.339 2.323 2.370 0.040 8 0 "[ . 1 . 2]" 1
13 1 65 CYS SG 3 1 ZN ZN . . 2.330 2.342 2.325 2.376 0.046 17 0 "[ . 1 . 2]" 1
14 1 68 HIS ND1 3 1 ZN ZN . . 2.030 2.037 2.024 2.070 0.040 8 0 "[ . 1 . 2]" 1
15 1 44 CYS SG 1 47 CYS SG . . 3.200 3.651 3.454 3.862 0.662 3 9 "[* + .* * * * .**- 2]" 1
16 1 44 CYS SG 1 65 CYS SG . . 3.200 3.746 3.280 3.999 0.799 8 12 "[ .**+****- *** *]" 1
17 1 44 CYS SG 1 68 HIS ND1 . . 3.200 3.779 3.527 3.991 0.791 13 16 "[******-**1**+** **]" 1
18 1 47 CYS SG 1 65 CYS SG . . 3.200 3.870 3.596 4.008 0.808 18 18 "[*** .********-***+**]" 1
19 1 47 CYS SG 1 68 HIS ND1 . . 3.200 3.530 3.291 3.807 0.607 2 2 "[ + . 1 . -2]" 1
20 1 65 CYS SG 1 68 HIS ND1 . . 3.200 3.507 3.245 3.763 0.563 14 1 "[ . 1 +. 2]" 1
21 1 60 GLU H 1 62 GLN H . . 4.000 4.098 4.044 4.158 0.158 16 0 "[ . 1 . 2]" 1
22 1 59 VAL H 1 60 GLU H . . 4.000 4.080 3.972 4.154 0.154 12 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 1402
_Distance_constraint_stats_list.Viol_count 642
_Distance_constraint_stats_list.Viol_total 595.159
_Distance_constraint_stats_list.Viol_max 0.651
_Distance_constraint_stats_list.Viol_rms 0.0138
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0464
_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 9 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LYS 2.032 0.303 8 0 "[ . 1 . 2]"
1 15 LEU 3.496 0.303 8 0 "[ . 1 . 2]"
1 16 PRO 1.237 0.222 17 0 "[ . 1 . 2]"
1 17 MET 0.797 0.195 17 0 "[ . 1 . 2]"
1 18 CYS 0.148 0.028 17 0 "[ . 1 . 2]"
1 19 ASP 0.739 0.102 17 0 "[ . 1 . 2]"
1 20 LYS 0.556 0.067 2 0 "[ . 1 . 2]"
1 21 CYS 0.046 0.033 19 0 "[ . 1 . 2]"
1 22 GLY 0.144 0.035 2 0 "[ . 1 . 2]"
1 23 THR 0.978 0.560 17 1 "[ . 1 . + 2]"
1 24 GLY 1.543 0.560 17 1 "[ . 1 . + 2]"
1 25 ILE 2.576 0.116 20 0 "[ . 1 . 2]"
1 26 VAL 0.871 0.110 17 0 "[ . 1 . 2]"
1 27 GLY 0.539 0.262 11 0 "[ . 1 . 2]"
1 28 VAL 0.879 0.262 11 0 "[ . 1 . 2]"
1 29 PHE 2.802 0.476 18 0 "[ . 1 . 2]"
1 30 VAL 6.435 0.476 18 0 "[ . 1 . 2]"
1 31 LYS 0.450 0.132 15 0 "[ . 1 . 2]"
1 32 LEU 1.768 0.249 5 0 "[ . 1 . 2]"
1 33 ARG 1.065 0.378 15 0 "[ . 1 . 2]"
1 34 ASP 0.669 0.378 15 0 "[ . 1 . 2]"
1 35 ARG 1.380 0.240 15 0 "[ . 1 . 2]"
1 36 HIS 0.500 0.191 9 0 "[ . 1 . 2]"
1 37 ARG 2.728 0.410 18 0 "[ . 1 . 2]"
1 38 HIS 0.508 0.092 11 0 "[ . 1 . 2]"
1 39 PRO 1.996 0.124 19 0 "[ . 1 . 2]"
1 40 GLU 0.010 0.005 4 0 "[ . 1 . 2]"
1 41 CYS 0.681 0.076 19 0 "[ . 1 . 2]"
1 42 TYR 2.624 0.132 16 0 "[ . 1 . 2]"
1 43 VAL 0.549 0.077 16 0 "[ . 1 . 2]"
1 44 CYS 0.213 0.039 13 0 "[ . 1 . 2]"
1 45 THR 0.183 0.040 16 0 "[ . 1 . 2]"
1 46 ASP 0.176 0.109 13 0 "[ . 1 . 2]"
1 47 CYS 0.096 0.024 6 0 "[ . 1 . 2]"
1 48 GLY 0.100 0.033 2 0 "[ . 1 . 2]"
1 49 THR 0.110 0.024 6 0 "[ . 1 . 2]"
1 50 ASN 0.016 0.006 16 0 "[ . 1 . 2]"
1 51 LEU 0.044 0.014 20 0 "[ . 1 . 2]"
1 52 LYS 1.067 0.132 16 0 "[ . 1 . 2]"
1 53 GLN 0.193 0.061 7 0 "[ . 1 . 2]"
1 54 LYS 0.104 0.038 7 0 "[ . 1 . 2]"
1 55 GLY 0.039 0.028 8 0 "[ . 1 . 2]"
1 56 HIS 0.178 0.063 18 0 "[ . 1 . 2]"
1 57 PHE 0.168 0.063 18 0 "[ . 1 . 2]"
1 58 PHE 1.367 0.338 16 0 "[ . 1 . 2]"
1 59 VAL 1.634 0.651 16 1 "[ . 1 .+ 2]"
1 60 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASP 0.037 0.016 18 0 "[ . 1 . 2]"
1 62 GLN 0.117 0.019 20 0 "[ . 1 . 2]"
1 63 ILE 1.319 0.196 13 0 "[ . 1 . 2]"
1 64 TYR 1.971 0.651 16 1 "[ . 1 .+ 2]"
1 65 CYS 0.271 0.038 7 0 "[ . 1 . 2]"
1 66 GLU 0.038 0.017 7 0 "[ . 1 . 2]"
1 67 LYS 0.360 0.077 14 0 "[ . 1 . 2]"
1 68 HIS 0.464 0.062 9 0 "[ . 1 . 2]"
1 69 ALA 0.424 0.058 16 0 "[ . 1 . 2]"
1 70 ARG 0.771 0.141 14 0 "[ . 1 . 2]"
1 71 GLU 0.627 0.073 15 0 "[ . 1 . 2]"
1 72 ARG 0.459 0.070 2 0 "[ . 1 . 2]"
1 73 VAL 1.511 0.465 14 0 "[ . 1 . 2]"
1 74 SER 0.005 0.004 15 0 "[ . 1 . 2]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 31 LYS H 1 32 LEU H . . 4.740 4.336 4.071 4.517 . 0 0 "[ . 1 . 2]" 2
2 1 29 PHE QD 1 31 LYS H . . 4.000 3.164 2.854 3.927 . 0 0 "[ . 1 . 2]" 2
3 1 30 VAL HA 1 31 LYS H . . 2.760 2.174 2.152 2.181 . 0 0 "[ . 1 . 2]" 2
4 1 31 LYS H 1 31 LYS HB3 . . 3.340 2.698 2.558 2.798 . 0 0 "[ . 1 . 2]" 2
5 1 31 LYS H 1 31 LYS HB2 . . 3.350 2.482 2.305 2.795 . 0 0 "[ . 1 . 2]" 2
6 1 30 VAL MG1 1 31 LYS H . . 4.420 3.261 2.911 4.354 . 0 0 "[ . 1 . 2]" 2
7 1 45 THR H 1 45 THR MG . . 4.210 3.791 3.759 3.813 . 0 0 "[ . 1 . 2]" 2
8 1 44 CYS HB2 1 45 THR H . . 4.560 3.895 3.764 4.170 . 0 0 "[ . 1 . 2]" 2
9 1 45 THR H 1 65 CYS H . . 4.620 4.449 4.217 4.632 0.012 18 0 "[ . 1 . 2]" 2
10 1 45 THR H 1 64 TYR HA . . 3.470 2.657 2.452 2.849 . 0 0 "[ . 1 . 2]" 2
11 1 45 THR H 1 45 THR HB . . 3.440 2.538 2.478 2.677 . 0 0 "[ . 1 . 2]" 2
12 1 26 VAL H 1 38 HIS HD2 . . 4.420 3.970 3.238 4.425 0.005 8 0 "[ . 1 . 2]" 2
13 1 25 ILE HA 1 26 VAL H . . 2.800 2.244 2.161 2.377 . 0 0 "[ . 1 . 2]" 2
14 1 26 VAL H 1 26 VAL MG1 . . 4.120 2.205 1.850 3.903 . 0 0 "[ . 1 . 2]" 2
15 1 32 LEU H 1 36 HIS HA . . 3.910 2.275 2.111 2.868 . 0 0 "[ . 1 . 2]" 2
16 1 31 LYS HA 1 32 LEU H . . 2.650 2.160 2.143 2.180 . 0 0 "[ . 1 . 2]" 2
17 1 31 LYS HB3 1 32 LEU H . . 4.610 4.251 4.075 4.316 . 0 0 "[ . 1 . 2]" 2
18 1 32 LEU H 1 35 ARG QB . . 4.940 4.193 3.714 4.446 . 0 0 "[ . 1 . 2]" 2
19 1 31 LYS QD 1 32 LEU H . . 3.920 3.241 2.566 3.567 . 0 0 "[ . 1 . 2]" 2
20 1 32 LEU H 1 32 LEU HB2 . . 3.820 2.368 2.251 2.504 . 0 0 "[ . 1 . 2]" 2
21 1 32 LEU H 1 32 LEU HB3 . . 3.820 3.589 3.532 3.657 . 0 0 "[ . 1 . 2]" 2
22 1 32 LEU H 1 32 LEU HG . . 4.310 2.926 2.409 4.264 . 0 0 "[ . 1 . 2]" 2
23 1 32 LEU H 1 32 LEU MD1 . . 4.440 3.592 2.535 3.832 . 0 0 "[ . 1 . 2]" 2
24 1 32 LEU H 1 32 LEU MD2 . . 4.440 3.522 2.084 4.222 . 0 0 "[ . 1 . 2]" 2
25 1 42 TYR H 1 42 TYR QD . . 4.300 4.185 4.124 4.208 . 0 0 "[ . 1 . 2]" 2
26 1 39 PRO HA 1 42 TYR H . . 4.260 4.209 4.075 4.352 0.092 6 0 "[ . 1 . 2]" 2
27 1 40 GLU HA 1 42 TYR H . . 4.250 3.762 3.512 4.209 . 0 0 "[ . 1 . 2]" 2
28 1 42 TYR H 1 42 TYR HB3 . . 3.010 2.495 2.375 2.718 . 0 0 "[ . 1 . 2]" 2
29 1 41 CYS HB3 1 42 TYR H . . 4.630 4.156 3.808 4.343 . 0 0 "[ . 1 . 2]" 2
30 1 41 CYS HB2 1 42 TYR H . . 4.280 3.314 2.902 3.618 . 0 0 "[ . 1 . 2]" 2
31 1 42 TYR H 1 42 TYR HB2 . . 3.190 2.609 2.389 2.746 . 0 0 "[ . 1 . 2]" 2
32 1 42 TYR H 1 43 VAL MG1 . . 3.910 3.790 3.545 3.987 0.077 16 0 "[ . 1 . 2]" 2
33 1 50 ASN H 1 50 ASN QB . . 3.510 2.277 2.140 2.424 . 0 0 "[ . 1 . 2]" 2
34 1 42 TYR QD 1 51 LEU H . . 4.230 3.642 3.022 4.062 . 0 0 "[ . 1 . 2]" 2
35 1 43 VAL HA 1 51 LEU H . . 3.450 2.597 2.200 2.871 . 0 0 "[ . 1 . 2]" 2
36 1 50 ASN HA 1 51 LEU H . . 2.820 2.148 2.140 2.168 . 0 0 "[ . 1 . 2]" 2
37 1 42 TYR HB3 1 51 LEU H . . 4.840 4.287 3.875 4.551 . 0 0 "[ . 1 . 2]" 2
38 1 50 ASN QB 1 51 LEU H . . 4.320 3.650 3.379 3.918 . 0 0 "[ . 1 . 2]" 2
39 1 51 LEU H 1 51 LEU HG . . 3.170 2.341 2.213 2.514 . 0 0 "[ . 1 . 2]" 2
40 1 51 LEU H 1 51 LEU HB2 . . 3.840 2.595 2.552 2.654 . 0 0 "[ . 1 . 2]" 2
41 1 51 LEU H 1 51 LEU MD2 . . 4.260 3.407 3.223 3.652 . 0 0 "[ . 1 . 2]" 2
42 1 51 LEU H 1 51 LEU MD1 . . 4.050 3.666 3.570 3.800 . 0 0 "[ . 1 . 2]" 2
43 1 51 LEU H 1 51 LEU HB3 . . 3.840 3.658 3.627 3.722 . 0 0 "[ . 1 . 2]" 2
44 1 18 CYS H 1 23 THR H . . 4.300 2.421 2.136 2.831 . 0 0 "[ . 1 . 2]" 2
45 1 18 CYS H 1 38 HIS HE1 . . 4.720 3.681 3.388 4.367 . 0 0 "[ . 1 . 2]" 2
46 1 18 CYS H 1 18 CYS HB3 . . 3.260 2.537 2.305 2.749 . 0 0 "[ . 1 . 2]" 2
47 1 18 CYS H 1 18 CYS HB2 . . 3.330 2.532 2.328 2.773 . 0 0 "[ . 1 . 2]" 2
48 1 17 MET HB3 1 18 CYS H . . 4.550 3.601 3.003 4.307 . 0 0 "[ . 1 . 2]" 2
49 1 18 CYS H 1 25 ILE HG13 . . 4.060 2.628 2.074 3.481 . 0 0 "[ . 1 . 2]" 2
50 1 18 CYS H 1 24 GLY HA2 . . 4.050 3.851 3.560 4.071 0.021 8 0 "[ . 1 . 2]" 2
51 1 17 MET QG 1 18 CYS H . . 4.170 3.834 3.574 4.185 0.015 7 0 "[ . 1 . 2]" 2
52 1 17 MET HB2 1 18 CYS H . . 4.550 3.997 3.041 4.485 . 0 0 "[ . 1 . 2]" 2
53 1 17 MET HA 1 25 ILE H . . 3.860 2.823 1.989 3.778 . 0 0 "[ . 1 . 2]" 2
54 1 24 GLY HA2 1 25 ILE H . . 3.040 2.150 2.138 2.213 . 0 0 "[ . 1 . 2]" 2
55 1 16 PRO HD2 1 25 ILE H . . 4.470 3.791 2.894 4.263 . 0 0 "[ . 1 . 2]" 2
56 1 24 GLY HA3 1 25 ILE H . . 3.410 3.295 3.145 3.442 0.032 17 0 "[ . 1 . 2]" 2
57 1 15 LEU HB2 1 25 ILE H . . 4.310 3.473 2.419 4.088 . 0 0 "[ . 1 . 2]" 2
58 1 25 ILE H 1 25 ILE HB . . 3.190 2.508 2.401 2.662 . 0 0 "[ . 1 . 2]" 2
59 1 25 ILE H 1 25 ILE HG13 . . 3.240 2.246 1.998 2.631 . 0 0 "[ . 1 . 2]" 2
60 1 25 ILE H 1 25 ILE MD . . 3.890 3.466 3.059 3.765 . 0 0 "[ . 1 . 2]" 2
61 1 25 ILE H 1 25 ILE HG12 . . 3.830 3.613 3.447 3.871 0.041 19 0 "[ . 1 . 2]" 2
62 1 15 LEU H 1 15 LEU MD2 . . 4.170 3.514 1.807 4.077 . 0 0 "[ . 1 . 2]" 2
63 1 14 LYS HA 1 15 LEU H . . 2.950 2.650 2.169 3.069 0.119 2 0 "[ . 1 . 2]" 2
64 1 15 LEU H 1 15 LEU HG . . 3.280 2.991 2.172 3.497 0.217 17 0 "[ . 1 . 2]" 2
65 1 15 LEU H 1 15 LEU HB3 . . 3.920 3.780 3.516 3.932 0.012 3 0 "[ . 1 . 2]" 2
66 1 15 LEU H 1 15 LEU MD1 . . 4.170 3.693 1.904 4.317 0.147 15 0 "[ . 1 . 2]" 2
67 1 69 ALA H 1 70 ARG H . . 3.230 3.152 2.957 3.282 0.052 19 0 "[ . 1 . 2]" 2
68 1 68 HIS HB3 1 69 ALA H . . 4.300 3.051 2.850 3.404 . 0 0 "[ . 1 . 2]" 2
69 1 64 TYR HB3 1 69 ALA H . . 3.480 3.079 2.948 3.461 . 0 0 "[ . 1 . 2]" 2
70 1 68 HIS HB2 1 69 ALA H . . 4.000 2.540 2.375 2.657 . 0 0 "[ . 1 . 2]" 2
71 1 64 TYR HB2 1 69 ALA H . . 3.600 3.088 2.905 3.272 . 0 0 "[ . 1 . 2]" 2
72 1 69 ALA H 1 70 ARG QB . . 5.020 4.968 4.785 5.078 0.058 16 0 "[ . 1 . 2]" 2
73 1 69 ALA H 1 69 ALA MB . . 2.850 2.123 2.046 2.268 . 0 0 "[ . 1 . 2]" 2
74 1 27 GLY HA2 1 28 VAL H . . 3.290 3.056 2.826 3.173 . 0 0 "[ . 1 . 2]" 2
75 1 28 VAL H 1 28 VAL HB . . 3.020 2.647 2.579 2.730 . 0 0 "[ . 1 . 2]" 2
76 1 57 PHE QD 1 58 PHE H . . 3.980 3.371 2.858 3.992 0.012 9 0 "[ . 1 . 2]" 2
77 1 57 PHE HA 1 58 PHE H . . 2.730 2.392 2.213 2.490 . 0 0 "[ . 1 . 2]" 2
78 1 58 PHE H 1 58 PHE HB3 . . 3.730 3.573 3.518 3.625 . 0 0 "[ . 1 . 2]" 2
79 1 58 PHE H 1 58 PHE HB2 . . 3.030 2.353 2.257 2.419 . 0 0 "[ . 1 . 2]" 2
80 1 57 PHE HB3 1 58 PHE H . . 3.590 2.518 2.268 3.007 . 0 0 "[ . 1 . 2]" 2
81 1 57 PHE HB2 1 58 PHE H . . 4.120 3.869 3.649 4.161 0.041 9 0 "[ . 1 . 2]" 2
82 1 43 VAL HA 1 44 CYS H . . 2.900 2.350 2.267 2.455 . 0 0 "[ . 1 . 2]" 2
83 1 44 CYS H 1 44 CYS HB3 . . 3.170 2.544 2.462 2.609 . 0 0 "[ . 1 . 2]" 2
84 1 44 CYS H 1 44 CYS HB2 . . 3.250 2.515 2.453 2.594 . 0 0 "[ . 1 . 2]" 2
85 1 43 VAL HB 1 44 CYS H . . 3.330 2.520 2.285 2.751 . 0 0 "[ . 1 . 2]" 2
86 1 44 CYS H 1 51 LEU HG . . 3.750 2.570 2.195 2.710 . 0 0 "[ . 1 . 2]" 2
87 1 44 CYS H 1 49 THR MG . . 3.960 2.871 2.528 3.149 . 0 0 "[ . 1 . 2]" 2
88 1 44 CYS H 1 51 LEU MD2 . . 3.450 2.910 2.602 3.244 . 0 0 "[ . 1 . 2]" 2
89 1 44 CYS H 1 51 LEU MD1 . . 4.180 2.975 2.693 3.342 . 0 0 "[ . 1 . 2]" 2
90 1 59 VAL H 1 64 TYR QE . . 3.960 3.569 2.923 3.898 . 0 0 "[ . 1 . 2]" 2
91 1 59 VAL H 1 64 TYR QD . . 3.780 3.605 3.317 3.901 0.121 16 0 "[ . 1 . 2]" 2
92 1 59 VAL H 1 63 ILE HA . . 4.330 3.766 3.668 3.837 . 0 0 "[ . 1 . 2]" 2
93 1 58 PHE HB3 1 59 VAL H . . 4.220 3.682 3.576 3.728 . 0 0 "[ . 1 . 2]" 2
94 1 59 VAL H 1 59 VAL HB . . 3.690 2.873 2.793 3.729 0.039 16 0 "[ . 1 . 2]" 2
95 1 44 CYS H 1 50 ASN HA . . 4.800 4.457 4.179 4.727 . 0 0 "[ . 1 . 2]" 2
96 1 42 TYR QD 1 52 LYS H . . 3.820 3.415 2.833 3.860 0.040 10 0 "[ . 1 . 2]" 2
97 1 51 LEU HA 1 52 LYS H . . 3.500 3.126 3.077 3.243 . 0 0 "[ . 1 . 2]" 2
98 1 52 LYS H 1 52 LYS HB2 . . 3.150 2.360 2.179 2.521 . 0 0 "[ . 1 . 2]" 2
99 1 52 LYS H 1 52 LYS HG3 . . 4.770 4.382 4.107 4.589 . 0 0 "[ . 1 . 2]" 2
100 1 52 LYS H 1 52 LYS HG2 . . 4.770 4.521 4.190 4.630 . 0 0 "[ . 1 . 2]" 2
101 1 57 PHE QD 1 66 GLU H . . 3.990 3.380 3.113 3.765 . 0 0 "[ . 1 . 2]" 2
102 1 65 CYS HB2 1 66 GLU H . . 3.360 2.944 2.755 3.071 . 0 0 "[ . 1 . 2]" 2
103 1 66 GLU H 1 66 GLU QB . . 2.900 2.285 2.266 2.297 . 0 0 "[ . 1 . 2]" 2
104 1 42 TYR QE 1 52 LYS H . . 4.110 3.504 3.154 4.027 . 0 0 "[ . 1 . 2]" 2
105 1 52 LYS H 1 52 LYS HB3 . . 3.150 2.719 2.521 2.968 . 0 0 "[ . 1 . 2]" 2
106 1 51 LEU HB3 1 52 LYS H . . 4.790 4.437 4.352 4.471 . 0 0 "[ . 1 . 2]" 2
107 1 46 ASP H 1 64 TYR QD . . 3.710 2.254 2.072 2.434 . 0 0 "[ . 1 . 2]" 2
108 1 46 ASP H 1 46 ASP HB2 . . 3.360 2.361 2.157 2.534 . 0 0 "[ . 1 . 2]" 2
109 1 64 TYR H 1 64 TYR QD . . 3.520 3.147 2.856 3.381 . 0 0 "[ . 1 . 2]" 2
110 1 58 PHE HA 1 64 TYR H . . 4.820 4.756 4.618 4.837 0.017 4 0 "[ . 1 . 2]" 2
111 1 63 ILE HA 1 64 TYR H . . 2.780 2.197 2.161 2.252 . 0 0 "[ . 1 . 2]" 2
112 1 64 TYR H 1 64 TYR HB3 . . 3.930 3.929 3.873 3.963 0.033 19 0 "[ . 1 . 2]" 2
113 1 64 TYR H 1 64 TYR HB2 . . 3.260 2.922 2.853 2.971 . 0 0 "[ . 1 . 2]" 2
114 1 63 ILE HB 1 64 TYR H . . 3.240 2.996 2.793 3.182 . 0 0 "[ . 1 . 2]" 2
115 1 51 LEU MD1 1 64 TYR H . . 4.530 3.625 3.301 4.004 . 0 0 "[ . 1 . 2]" 2
116 1 20 LYS H 1 41 CYS HB3 . . 4.480 3.992 3.795 4.167 . 0 0 "[ . 1 . 2]" 2
117 1 19 ASP H 1 20 LYS H . . 3.530 2.340 2.100 2.655 . 0 0 "[ . 1 . 2]" 2
118 1 18 CYS HB3 1 20 LYS H . . 4.760 4.242 3.938 4.588 . 0 0 "[ . 1 . 2]" 2
119 1 19 ASP HB3 1 20 LYS H . . 5.040 2.856 2.334 3.533 . 0 0 "[ . 1 . 2]" 2
120 1 20 LYS H 1 20 LYS HB2 . . 3.410 2.474 2.268 2.714 . 0 0 "[ . 1 . 2]" 2
121 1 20 LYS H 1 20 LYS HB3 . . 3.410 2.583 2.353 2.805 . 0 0 "[ . 1 . 2]" 2
122 1 20 LYS H 1 20 LYS QG . . 4.050 3.988 3.933 4.040 . 0 0 "[ . 1 . 2]" 2
123 1 29 PHE QD 1 30 VAL H . . 4.110 3.124 2.768 3.446 . 0 0 "[ . 1 . 2]" 2
124 1 29 PHE HA 1 30 VAL H . . 2.940 2.411 2.292 2.541 . 0 0 "[ . 1 . 2]" 2
125 1 30 VAL H 1 39 PRO HD3 . . 4.600 3.575 3.278 3.755 . 0 0 "[ . 1 . 2]" 2
126 1 29 PHE QB 1 30 VAL H . . 3.150 2.412 2.171 2.719 . 0 0 "[ . 1 . 2]" 2
127 1 30 VAL H 1 30 VAL HB . . 3.150 2.698 2.399 3.550 0.400 18 0 "[ . 1 . 2]" 2
128 1 25 ILE MG 1 30 VAL H . . 4.460 4.324 4.025 4.506 0.046 6 0 "[ . 1 . 2]" 2
129 1 30 VAL H 1 30 VAL MG1 . . 4.070 3.508 1.796 3.882 . 0 0 "[ . 1 . 2]" 2
130 1 16 PRO HA 1 17 MET H . . 2.700 2.228 2.169 2.301 . 0 0 "[ . 1 . 2]" 2
131 1 17 MET H 1 17 MET QG . . 3.570 2.624 2.248 2.857 . 0 0 "[ . 1 . 2]" 2
132 1 17 MET H 1 17 MET HB2 . . 3.620 2.643 2.173 3.577 . 0 0 "[ . 1 . 2]" 2
133 1 17 MET H 1 17 MET HB3 . . 3.620 3.178 2.358 3.590 . 0 0 "[ . 1 . 2]" 2
134 1 16 PRO HB3 1 17 MET H . . 4.480 4.341 4.213 4.455 . 0 0 "[ . 1 . 2]" 2
135 1 16 PRO HB2 1 17 MET H . . 4.260 4.001 3.834 4.145 . 0 0 "[ . 1 . 2]" 2
136 1 37 ARG HA 1 38 HIS H . . 3.210 2.430 2.256 2.539 . 0 0 "[ . 1 . 2]" 2
137 1 38 HIS H 1 38 HIS HB2 . . 3.760 2.257 2.208 2.353 . 0 0 "[ . 1 . 2]" 2
138 1 38 HIS H 1 41 CYS HB3 . . 4.120 3.886 3.737 4.160 0.040 9 0 "[ . 1 . 2]" 2
139 1 38 HIS H 1 41 CYS HB2 . . 3.600 2.375 2.222 2.628 . 0 0 "[ . 1 . 2]" 2
140 1 37 ARG HB3 1 38 HIS H . . 3.820 2.480 2.198 2.904 . 0 0 "[ . 1 . 2]" 2
141 1 37 ARG HB2 1 38 HIS H . . 4.460 3.862 3.670 4.134 . 0 0 "[ . 1 . 2]" 2
142 1 25 ILE MD 1 38 HIS H . . 4.140 3.413 2.928 3.675 . 0 0 "[ . 1 . 2]" 2
143 1 25 ILE HG12 1 38 HIS H . . 4.570 4.293 3.623 4.583 0.013 19 0 "[ . 1 . 2]" 2
144 1 34 ASP H 1 35 ARG H . . 3.320 2.166 1.983 2.970 . 0 0 "[ . 1 . 2]" 2
145 1 34 ASP HB2 1 35 ARG H . . 4.870 4.038 3.522 4.515 . 0 0 "[ . 1 . 2]" 2
146 1 34 ASP HB3 1 35 ARG H . . 4.870 4.249 3.706 4.560 . 0 0 "[ . 1 . 2]" 2
147 1 35 ARG H 1 35 ARG QB . . 3.230 2.575 2.442 2.696 . 0 0 "[ . 1 . 2]" 2
148 1 33 ARG HB3 1 35 ARG H . . 4.930 4.297 3.602 5.120 0.190 15 0 "[ . 1 . 2]" 2
149 1 35 ARG H 1 35 ARG QG . . 3.450 3.015 2.722 3.277 . 0 0 "[ . 1 . 2]" 2
150 1 65 CYS H 1 68 HIS H . . 4.110 3.774 3.511 3.932 . 0 0 "[ . 1 . 2]" 2
151 1 68 HIS H 1 69 ALA H . . 3.030 2.723 2.454 2.889 . 0 0 "[ . 1 . 2]" 2
152 1 68 HIS H 1 68 HIS HB3 . . 3.530 3.519 3.495 3.553 0.023 16 0 "[ . 1 . 2]" 2
153 1 64 TYR HB3 1 68 HIS H . . 4.750 4.485 4.270 4.648 . 0 0 "[ . 1 . 2]" 2
154 1 68 HIS H 1 68 HIS HB2 . . 3.110 2.225 2.185 2.290 . 0 0 "[ . 1 . 2]" 2
155 1 65 CYS HB3 1 68 HIS H . . 4.980 4.623 4.506 4.762 . 0 0 "[ . 1 . 2]" 2
156 1 66 GLU HA 1 68 HIS H . . 5.450 4.891 4.505 5.127 . 0 0 "[ . 1 . 2]" 2
157 1 67 LYS HB2 1 68 HIS H . . 3.910 3.695 3.534 3.843 . 0 0 "[ . 1 . 2]" 2
158 1 67 LYS HB3 1 68 HIS H . . 3.910 2.230 2.021 2.464 . 0 0 "[ . 1 . 2]" 2
159 1 67 LYS HG3 1 68 HIS H . . 4.680 4.466 4.224 4.742 0.062 9 0 "[ . 1 . 2]" 2
160 1 67 LYS HG2 1 68 HIS H . . 4.060 3.345 2.977 4.118 0.058 14 0 "[ . 1 . 2]" 2
161 1 59 VAL H 1 62 GLN H . . 3.580 2.589 2.512 2.760 . 0 0 "[ . 1 . 2]" 2
162 1 61 ASP H 1 62 GLN H . . 3.230 2.641 2.609 2.729 . 0 0 "[ . 1 . 2]" 2
163 1 58 PHE QD 1 62 GLN H . . 4.070 3.814 3.554 4.085 0.015 9 0 "[ . 1 . 2]" 2
164 1 62 GLN H 1 64 TYR QE . . 4.110 3.862 3.449 4.110 . 0 0 "[ . 1 . 2]" 2
165 1 58 PHE HA 1 62 GLN H . . 4.510 3.917 3.821 4.166 . 0 0 "[ . 1 . 2]" 2
166 1 60 GLU HA 1 62 GLN H . . 4.760 4.500 4.457 4.529 . 0 0 "[ . 1 . 2]" 2
167 1 62 GLN H 1 62 GLN QG . . 3.680 3.308 3.088 3.579 . 0 0 "[ . 1 . 2]" 2
168 1 60 GLU QB 1 62 GLN H . . 3.900 3.861 3.686 3.895 . 0 0 "[ . 1 . 2]" 2
169 1 62 GLN H 1 62 GLN QB . . 3.210 2.580 2.522 2.666 . 0 0 "[ . 1 . 2]" 2
170 1 57 PHE H 1 63 ILE MG . . 4.720 4.241 3.959 4.448 . 0 0 "[ . 1 . 2]" 2
171 1 57 PHE H 1 57 PHE QD . . 3.510 3.102 2.675 3.466 . 0 0 "[ . 1 . 2]" 2
172 1 57 PHE H 1 63 ILE HA . . 4.310 3.523 3.301 3.684 . 0 0 "[ . 1 . 2]" 2
173 1 57 PHE H 1 57 PHE HB3 . . 3.810 3.641 3.565 3.709 . 0 0 "[ . 1 . 2]" 2
174 1 56 HIS HB3 1 57 PHE H . . 4.130 4.056 3.879 4.193 0.063 18 0 "[ . 1 . 2]" 2
175 1 56 HIS HB2 1 57 PHE H . . 3.300 2.766 2.504 2.998 . 0 0 "[ . 1 . 2]" 2
176 1 57 PHE H 1 57 PHE HB2 . . 3.460 2.499 2.375 2.661 . 0 0 "[ . 1 . 2]" 2
177 1 57 PHE H 1 63 ILE HB . . 4.340 3.809 3.555 3.983 . 0 0 "[ . 1 . 2]" 2
178 1 51 LEU MD1 1 57 PHE H . . 4.260 3.629 3.323 3.998 . 0 0 "[ . 1 . 2]" 2
179 1 35 ARG HA 1 36 HIS H . . 3.250 2.527 2.492 2.580 . 0 0 "[ . 1 . 2]" 2
180 1 36 HIS H 1 36 HIS HB2 . . 3.590 2.792 2.638 2.966 . 0 0 "[ . 1 . 2]" 2
181 1 36 HIS H 1 36 HIS HB3 . . 4.170 3.861 3.772 3.949 . 0 0 "[ . 1 . 2]" 2
182 1 35 ARG QB 1 36 HIS H . . 3.100 2.145 2.083 2.209 . 0 0 "[ . 1 . 2]" 2
183 1 35 ARG QG 1 36 HIS H . . 4.290 4.114 3.983 4.180 . 0 0 "[ . 1 . 2]" 2
184 1 44 CYS HB3 1 49 THR H . . 3.230 2.050 1.903 2.207 . 0 0 "[ . 1 . 2]" 2
185 1 47 CYS HB2 1 49 THR H . . 4.340 4.228 3.951 4.350 0.010 19 0 "[ . 1 . 2]" 2
186 1 44 CYS HB2 1 49 THR H . . 3.870 3.032 2.897 3.147 . 0 0 "[ . 1 . 2]" 2
187 1 49 THR H 1 49 THR MG . . 3.280 2.140 1.967 2.307 . 0 0 "[ . 1 . 2]" 2
188 1 43 VAL MG1 1 49 THR H . . 4.980 4.320 4.054 4.612 . 0 0 "[ . 1 . 2]" 2
189 1 49 THR H 1 51 LEU MD2 . . 5.190 3.718 3.478 4.022 . 0 0 "[ . 1 . 2]" 2
190 1 66 GLU H 1 67 LYS H . . 3.230 3.022 2.939 3.073 . 0 0 "[ . 1 . 2]" 2
191 1 65 CYS HA 1 67 LYS H . . 4.420 4.177 4.007 4.362 . 0 0 "[ . 1 . 2]" 2
192 1 65 CYS HB2 1 67 LYS H . . 3.810 2.890 2.711 3.035 . 0 0 "[ . 1 . 2]" 2
193 1 67 LYS H 1 67 LYS HB2 . . 2.900 2.556 2.431 2.636 . 0 0 "[ . 1 . 2]" 2
194 1 66 GLU HG3 1 67 LYS H . . 4.740 4.600 4.362 4.746 0.006 9 0 "[ . 1 . 2]" 2
195 1 67 LYS H 1 67 LYS HB3 . . 2.900 2.489 2.410 2.616 . 0 0 "[ . 1 . 2]" 2
196 1 67 LYS H 1 69 ALA MB . . 5.350 4.518 4.377 4.721 . 0 0 "[ . 1 . 2]" 2
197 1 67 LYS H 1 67 LYS HG3 . . 4.610 4.520 4.424 4.573 . 0 0 "[ . 1 . 2]" 2
198 1 67 LYS H 1 67 LYS HG2 . . 4.570 4.404 4.368 4.458 . 0 0 "[ . 1 . 2]" 2
199 1 68 HIS HA 1 72 ARG H . . 4.620 4.350 3.984 4.583 . 0 0 "[ . 1 . 2]" 2
200 1 70 ARG HA 1 72 ARG H . . 4.360 4.283 4.024 4.381 0.021 16 0 "[ . 1 . 2]" 2
201 1 69 ALA HA 1 72 ARG H . . 3.880 3.400 3.145 3.576 . 0 0 "[ . 1 . 2]" 2
202 1 71 GLU HG3 1 72 ARG H . . 5.110 4.314 2.786 4.807 . 0 0 "[ . 1 . 2]" 2
203 1 71 GLU QB 1 72 ARG H . . 3.430 2.753 2.534 3.500 0.070 2 0 "[ . 1 . 2]" 2
204 1 72 ARG H 1 72 ARG HB3 . . 3.560 3.549 3.491 3.588 0.028 14 0 "[ . 1 . 2]" 2
205 1 72 ARG H 1 72 ARG HB2 . . 2.970 2.288 2.183 2.339 . 0 0 "[ . 1 . 2]" 2
206 1 59 VAL MG2 1 72 ARG H . . 5.120 4.774 4.379 5.135 0.015 16 0 "[ . 1 . 2]" 2
207 1 39 PRO HA 1 41 CYS H . . 4.670 4.546 4.349 4.663 . 0 0 "[ . 1 . 2]" 2
208 1 41 CYS H 1 42 TYR HB2 . . 4.840 4.625 4.335 4.771 . 0 0 "[ . 1 . 2]" 2
209 1 40 GLU H 1 41 CYS H . . 3.730 1.930 1.879 2.094 . 0 0 "[ . 1 . 2]" 2
210 1 38 HIS H 1 41 CYS H . . 4.600 3.819 3.677 4.066 . 0 0 "[ . 1 . 2]" 2
211 1 38 HIS HB3 1 41 CYS H . . 3.630 2.778 2.643 2.892 . 0 0 "[ . 1 . 2]" 2
212 1 38 HIS HB2 1 41 CYS H . . 3.310 2.521 2.421 2.592 . 0 0 "[ . 1 . 2]" 2
213 1 41 CYS H 1 41 CYS HB2 . . 3.380 2.483 2.391 2.570 . 0 0 "[ . 1 . 2]" 2
214 1 40 GLU QB 1 41 CYS H . . 4.120 3.547 2.803 3.691 . 0 0 "[ . 1 . 2]" 2
215 1 41 CYS H 1 43 VAL MG1 . . 4.990 4.722 4.468 4.969 . 0 0 "[ . 1 . 2]" 2
216 1 69 ALA H 1 71 GLU H . . 4.490 4.361 4.006 4.504 0.014 13 0 "[ . 1 . 2]" 2
217 1 68 HIS HA 1 71 GLU H . . 3.640 3.401 3.206 3.550 . 0 0 "[ . 1 . 2]" 2
218 1 69 ALA HA 1 71 GLU H . . 4.730 4.433 3.922 4.639 . 0 0 "[ . 1 . 2]" 2
219 1 71 GLU H 1 71 GLU HG3 . . 3.650 2.703 2.043 3.683 0.033 15 0 "[ . 1 . 2]" 2
220 1 71 GLU H 1 71 GLU HG2 . . 3.650 2.967 1.998 3.614 . 0 0 "[ . 1 . 2]" 2
221 1 71 GLU H 1 71 GLU QB . . 3.030 2.431 2.242 2.544 . 0 0 "[ . 1 . 2]" 2
222 1 70 ARG QB 1 71 GLU H . . 3.490 2.776 2.371 3.552 0.062 14 0 "[ . 1 . 2]" 2
223 1 70 ARG HG2 1 71 GLU H . . 5.450 4.244 2.276 5.065 . 0 0 "[ . 1 . 2]" 2
224 1 69 ALA MB 1 71 GLU H . . 4.620 4.398 4.087 4.626 0.006 15 0 "[ . 1 . 2]" 2
225 1 64 TYR QD 1 65 CYS H . . 4.080 3.883 3.743 4.101 0.021 16 0 "[ . 1 . 2]" 2
226 1 64 TYR HA 1 65 CYS H . . 2.990 2.484 2.380 2.549 . 0 0 "[ . 1 . 2]" 2
227 1 65 CYS H 1 68 HIS HB3 . . 4.170 4.086 3.901 4.189 0.019 7 0 "[ . 1 . 2]" 2
228 1 64 TYR HB3 1 65 CYS H . . 3.210 2.304 2.176 2.504 . 0 0 "[ . 1 . 2]" 2
229 1 65 CYS H 1 68 HIS HB2 . . 3.740 2.729 2.496 2.839 . 0 0 "[ . 1 . 2]" 2
230 1 44 CYS HB2 1 65 CYS H . . 3.410 3.032 2.857 3.222 . 0 0 "[ . 1 . 2]" 2
231 1 65 CYS H 1 65 CYS HB3 . . 3.550 2.838 2.702 3.039 . 0 0 "[ . 1 . 2]" 2
232 1 64 TYR HB2 1 65 CYS H . . 3.830 3.347 3.067 3.584 . 0 0 "[ . 1 . 2]" 2
233 1 65 CYS H 1 69 ALA MB . . 4.520 4.071 3.787 4.375 . 0 0 "[ . 1 . 2]" 2
234 1 49 THR MG 1 65 CYS H . . 4.770 4.468 4.226 4.688 . 0 0 "[ . 1 . 2]" 2
235 1 51 LEU MD2 1 65 CYS H . . 3.850 3.370 2.944 3.759 . 0 0 "[ . 1 . 2]" 2
236 1 73 VAL H 1 74 SER H . . 3.250 2.842 2.527 3.241 . 0 0 "[ . 1 . 2]" 2
237 1 74 SER H 1 74 SER QB . . 3.400 2.392 2.195 3.217 . 0 0 "[ . 1 . 2]" 2
238 1 73 VAL HB 1 74 SER H . . 4.240 3.322 2.182 4.241 0.001 3 0 "[ . 1 . 2]" 2
239 1 51 LEU HA 1 54 LYS H . . 4.770 3.574 3.234 3.880 . 0 0 "[ . 1 . 2]" 2
240 1 53 GLN HB3 1 54 LYS H . . 4.860 3.331 2.784 3.697 . 0 0 "[ . 1 . 2]" 2
241 1 54 LYS H 1 54 LYS HG2 . . 4.720 3.192 2.953 3.476 . 0 0 "[ . 1 . 2]" 2
242 1 54 LYS H 1 54 LYS HG3 . . 4.720 2.130 1.894 2.735 . 0 0 "[ . 1 . 2]" 2
243 1 70 ARG HA 1 73 VAL H . . 3.990 3.681 3.529 3.899 . 0 0 "[ . 1 . 2]" 2
244 1 73 VAL H 1 73 VAL HB . . 3.140 2.765 2.521 3.605 0.465 14 0 "[ . 1 . 2]" 2
245 1 72 ARG HB3 1 73 VAL H . . 3.910 3.183 2.957 3.648 . 0 0 "[ . 1 . 2]" 2
246 1 72 ARG HB2 1 73 VAL H . . 3.570 2.477 2.323 2.818 . 0 0 "[ . 1 . 2]" 2
247 1 73 VAL H 1 73 VAL MG2 . . 3.900 2.912 1.868 3.771 . 0 0 "[ . 1 . 2]" 2
248 1 59 VAL MG2 1 73 VAL H . . 4.850 3.667 2.991 4.087 . 0 0 "[ . 1 . 2]" 2
249 1 67 LYS HA 1 70 ARG H . . 4.660 4.402 4.102 4.568 . 0 0 "[ . 1 . 2]" 2
250 1 66 GLU HA 1 70 ARG H . . 4.330 3.516 3.099 3.942 . 0 0 "[ . 1 . 2]" 2
251 1 70 ARG H 1 70 ARG QB . . 2.670 2.344 2.183 2.488 . 0 0 "[ . 1 . 2]" 2
252 1 70 ARG H 1 70 ARG HG2 . . 4.040 3.265 2.453 3.839 . 0 0 "[ . 1 . 2]" 2
253 1 70 ARG H 1 70 ARG HG3 . . 4.040 2.784 2.126 3.825 . 0 0 "[ . 1 . 2]" 2
254 1 69 ALA MB 1 70 ARG H . . 2.950 2.271 2.070 2.614 . 0 0 "[ . 1 . 2]" 2
255 1 46 ASP H 1 47 CYS H . . 3.070 2.877 2.799 2.944 . 0 0 "[ . 1 . 2]" 2
256 1 47 CYS H 1 48 GLY HA3 . . 5.130 4.955 4.888 5.003 . 0 0 "[ . 1 . 2]" 2
257 1 44 CYS HB3 1 47 CYS H . . 3.460 3.145 2.951 3.282 . 0 0 "[ . 1 . 2]" 2
258 1 47 CYS H 1 47 CYS HB2 . . 3.890 3.561 3.541 3.588 . 0 0 "[ . 1 . 2]" 2
259 1 44 CYS HB2 1 47 CYS H . . 4.630 4.387 4.257 4.482 . 0 0 "[ . 1 . 2]" 2
260 1 47 CYS H 1 47 CYS HB3 . . 3.560 3.083 3.003 3.130 . 0 0 "[ . 1 . 2]" 2
261 1 46 ASP HB2 1 47 CYS H . . 3.660 3.383 2.523 3.619 . 0 0 "[ . 1 . 2]" 2
262 1 46 ASP HB3 1 47 CYS H . . 3.660 2.057 1.964 2.766 . 0 0 "[ . 1 . 2]" 2
263 1 29 PHE H 1 30 VAL H . . 4.510 4.346 4.285 4.376 . 0 0 "[ . 1 . 2]" 2
264 1 28 VAL H 1 29 PHE H . . 4.680 4.608 4.576 4.637 . 0 0 "[ . 1 . 2]" 2
265 1 28 VAL HA 1 29 PHE H . . 2.450 2.213 2.167 2.265 . 0 0 "[ . 1 . 2]" 2
266 1 28 VAL MG1 1 29 PHE H . . 4.000 3.811 1.986 4.042 0.042 18 0 "[ . 1 . 2]" 2
267 1 25 ILE MG 1 29 PHE H . . 4.760 4.572 4.410 4.766 0.006 7 0 "[ . 1 . 2]" 2
268 1 38 HIS HB3 1 40 GLU H . . 4.020 2.304 2.259 2.378 . 0 0 "[ . 1 . 2]" 2
269 1 38 HIS HB2 1 40 GLU H . . 4.510 3.245 3.111 3.397 . 0 0 "[ . 1 . 2]" 2
270 1 40 GLU H 1 40 GLU HG2 . . 4.470 2.388 1.926 3.416 . 0 0 "[ . 1 . 2]" 2
271 1 40 GLU H 1 40 GLU QB . . 3.500 2.843 2.693 2.941 . 0 0 "[ . 1 . 2]" 2
272 1 36 HIS HA 1 37 ARG H . . 3.000 2.232 2.140 2.306 . 0 0 "[ . 1 . 2]" 2
273 1 31 LYS HA 1 37 ARG H . . 4.370 3.610 3.273 4.244 . 0 0 "[ . 1 . 2]" 2
274 1 29 PHE QB 1 37 ARG H . . 4.310 3.969 3.578 4.348 0.038 11 0 "[ . 1 . 2]" 2
275 1 36 HIS HB2 1 37 ARG H . . 4.230 3.981 3.729 4.253 0.023 15 0 "[ . 1 . 2]" 2
276 1 36 HIS HB3 1 37 ARG H . . 3.680 2.944 2.694 3.463 . 0 0 "[ . 1 . 2]" 2
277 1 37 ARG H 1 37 ARG HB3 . . 4.200 3.684 3.512 3.773 . 0 0 "[ . 1 . 2]" 2
278 1 37 ARG H 1 37 ARG HG2 . . 4.710 4.361 4.161 4.591 . 0 0 "[ . 1 . 2]" 2
279 1 37 ARG H 1 37 ARG HG3 . . 4.710 3.995 3.716 4.339 . 0 0 "[ . 1 . 2]" 2
280 1 37 ARG H 1 37 ARG HB2 . . 3.430 2.719 2.458 2.839 . 0 0 "[ . 1 . 2]" 2
281 1 32 LEU MD1 1 37 ARG H . . 5.500 4.042 2.567 5.235 . 0 0 "[ . 1 . 2]" 2
282 1 25 ILE MD 1 37 ARG H . . 4.050 3.205 2.815 3.610 . 0 0 "[ . 1 . 2]" 2
283 1 26 VAL H 1 27 GLY H . . 4.520 4.236 4.121 4.465 . 0 0 "[ . 1 . 2]" 2
284 1 26 VAL HA 1 27 GLY H . . 2.910 2.154 2.144 2.201 . 0 0 "[ . 1 . 2]" 2
285 1 26 VAL HB 1 27 GLY H . . 4.370 4.248 4.095 4.372 0.002 12 0 "[ . 1 . 2]" 2
286 1 26 VAL MG2 1 27 GLY H . . 4.400 2.700 2.368 4.123 . 0 0 "[ . 1 . 2]" 2
287 1 25 ILE MG 1 27 GLY H . . 4.120 3.985 3.544 4.236 0.116 20 0 "[ . 1 . 2]" 2
288 1 20 LYS QG 1 21 CYS H . . 4.030 3.340 2.755 3.790 . 0 0 "[ . 1 . 2]" 2
289 1 20 LYS H 1 21 CYS H . . 3.280 2.929 2.670 3.049 . 0 0 "[ . 1 . 2]" 2
290 1 18 CYS HB3 1 21 CYS H . . 4.050 3.245 2.865 3.475 . 0 0 "[ . 1 . 2]" 2
291 1 21 CYS H 1 21 CYS HB2 . . 4.080 3.551 3.508 3.609 . 0 0 "[ . 1 . 2]" 2
292 1 21 CYS H 1 41 CYS HB3 . . 4.550 3.984 3.317 4.315 . 0 0 "[ . 1 . 2]" 2
293 1 21 CYS H 1 21 CYS HB3 . . 4.080 3.055 2.841 3.189 . 0 0 "[ . 1 . 2]" 2
294 1 20 LYS HB2 1 21 CYS H . . 3.780 3.571 3.408 3.788 0.008 11 0 "[ . 1 . 2]" 2
295 1 20 LYS HB3 1 21 CYS H . . 3.780 2.109 1.946 2.413 . 0 0 "[ . 1 . 2]" 2
296 1 50 ASN HA 1 50 ASN HD21 . . 4.520 2.420 1.915 3.259 . 0 0 "[ . 1 . 2]" 2
297 1 40 GLU HA 1 50 ASN HD21 . . 4.410 4.172 3.816 4.415 0.005 12 0 "[ . 1 . 2]" 2
298 1 40 GLU HA 1 50 ASN HD22 . . 4.410 3.945 3.088 4.408 . 0 0 "[ . 1 . 2]" 2
299 1 43 VAL MG1 1 50 ASN HD22 . . 4.530 3.419 2.587 4.194 . 0 0 "[ . 1 . 2]" 2
300 1 46 ASP H 1 48 GLY H . . 4.490 4.433 4.268 4.495 0.005 7 0 "[ . 1 . 2]" 2
301 1 44 CYS HB2 1 48 GLY H . . 4.040 3.614 3.574 3.703 . 0 0 "[ . 1 . 2]" 2
302 1 43 VAL MG2 1 48 GLY H . . 4.700 4.567 4.338 4.733 0.033 2 0 "[ . 1 . 2]" 2
303 1 43 VAL HB 1 48 GLY H . . 4.720 4.451 4.107 4.638 . 0 0 "[ . 1 . 2]" 2
304 1 55 GLY H 1 56 HIS H . . 4.440 4.284 4.113 4.387 . 0 0 "[ . 1 . 2]" 2
305 1 55 GLY HA2 1 56 HIS H . . 3.370 2.349 2.223 2.460 . 0 0 "[ . 1 . 2]" 2
306 1 55 GLY HA3 1 56 HIS H . . 3.370 2.807 2.670 2.989 . 0 0 "[ . 1 . 2]" 2
307 1 56 HIS H 1 56 HIS HB3 . . 3.980 2.778 2.610 2.904 . 0 0 "[ . 1 . 2]" 2
308 1 42 TYR H 1 43 VAL H . . 4.260 2.773 2.666 2.860 . 0 0 "[ . 1 . 2]" 2
309 1 42 TYR HA 1 43 VAL H . . 3.530 3.255 3.068 3.440 . 0 0 "[ . 1 . 2]" 2
310 1 42 TYR HB2 1 43 VAL H . . 4.720 4.361 4.073 4.556 . 0 0 "[ . 1 . 2]" 2
311 1 43 VAL H 1 43 VAL MG2 . . 2.890 2.163 1.874 2.460 . 0 0 "[ . 1 . 2]" 2
312 1 43 VAL H 1 51 LEU MD1 . . 5.070 4.692 4.337 4.947 . 0 0 "[ . 1 . 2]" 2
313 1 62 GLN HA 1 63 ILE H . . 3.230 2.545 2.490 2.567 . 0 0 "[ . 1 . 2]" 2
314 1 62 GLN QG 1 63 ILE H . . 4.130 3.760 3.207 4.090 . 0 0 "[ . 1 . 2]" 2
315 1 62 GLN QB 1 63 ILE H . . 3.640 2.115 2.069 2.208 . 0 0 "[ . 1 . 2]" 2
316 1 63 ILE H 1 63 ILE HG13 . . 3.920 2.531 2.370 2.738 . 0 0 "[ . 1 . 2]" 2
317 1 63 ILE H 1 63 ILE HG12 . . 3.400 2.523 2.400 2.640 . 0 0 "[ . 1 . 2]" 2
318 1 63 ILE H 1 63 ILE MG . . 3.670 2.994 2.829 3.163 . 0 0 "[ . 1 . 2]" 2
319 1 18 CYS HB3 1 23 THR H . . 4.020 2.225 1.893 3.079 . 0 0 "[ . 1 . 2]" 2
320 1 51 LEU HA 1 55 GLY H . . 3.970 2.637 2.321 2.926 . 0 0 "[ . 1 . 2]" 2
321 1 54 LYS HB2 1 55 GLY H . . 4.010 2.376 2.063 2.601 . 0 0 "[ . 1 . 2]" 2
322 1 54 LYS HB3 1 55 GLY H . . 4.010 3.397 3.014 3.632 . 0 0 "[ . 1 . 2]" 2
323 1 51 LEU HB2 1 55 GLY H . . 4.850 4.118 3.861 4.509 . 0 0 "[ . 1 . 2]" 2
324 1 23 THR HB 1 24 GLY H . . 3.170 3.037 2.818 3.201 0.031 20 0 "[ . 1 . 2]" 2
325 1 23 THR HA 1 24 GLY H . . 3.010 2.265 2.168 3.570 0.560 17 1 "[ . 1 . + 2]" 2
326 1 18 CYS H 1 25 ILE HG12 . . 4.800 3.786 3.085 4.775 . 0 0 "[ . 1 . 2]" 2
327 1 18 CYS H 1 19 ASP H . . 4.710 4.620 4.453 4.647 . 0 0 "[ . 1 . 2]" 2
328 1 21 CYS H 1 23 THR H . . 4.930 4.689 4.450 4.913 . 0 0 "[ . 1 . 2]" 2
329 1 18 CYS HB2 1 25 ILE H . . 5.350 4.914 4.408 5.361 0.011 19 0 "[ . 1 . 2]" 2
330 1 25 ILE HG12 1 26 VAL H . . 4.810 4.304 4.038 4.673 . 0 0 "[ . 1 . 2]" 2
331 1 25 ILE HB 1 26 VAL H . . 4.830 3.974 3.518 4.502 . 0 0 "[ . 1 . 2]" 2
332 1 25 ILE HG13 1 26 VAL H . . 4.920 4.866 4.715 4.974 0.054 11 0 "[ . 1 . 2]" 2
333 1 25 ILE H 1 26 VAL H . . 5.040 4.545 4.286 4.629 . 0 0 "[ . 1 . 2]" 2
334 1 31 LYS H 1 31 LYS HG3 . . 5.100 4.617 4.508 4.844 . 0 0 "[ . 1 . 2]" 2
335 1 30 VAL HB 1 31 LYS H . . 4.460 4.247 3.280 4.475 0.015 13 0 "[ . 1 . 2]" 2
336 1 32 LEU H 1 37 ARG H . . 5.450 3.723 3.511 4.020 . 0 0 "[ . 1 . 2]" 2
337 1 41 CYS H 1 41 CYS HB3 . . 3.850 3.616 3.602 3.647 . 0 0 "[ . 1 . 2]" 2
338 1 41 CYS H 1 42 TYR H . . 2.790 2.451 2.345 2.554 . 0 0 "[ . 1 . 2]" 2
339 1 20 LYS QE 1 43 VAL H . . 5.480 4.710 3.833 5.344 . 0 0 "[ . 1 . 2]" 2
340 1 41 CYS HB2 1 43 VAL H . . 5.500 4.850 4.795 4.902 . 0 0 "[ . 1 . 2]" 2
341 1 43 VAL H 1 44 CYS H . . 4.710 4.621 4.593 4.646 . 0 0 "[ . 1 . 2]" 2
342 1 45 THR H 1 64 TYR QD . . 4.380 2.936 2.708 3.553 . 0 0 "[ . 1 . 2]" 2
343 1 45 THR H 1 64 TYR QE . . 4.810 4.056 3.722 4.578 . 0 0 "[ . 1 . 2]" 2
344 1 46 ASP H 1 64 TYR QE . . 4.650 3.276 2.914 3.678 . 0 0 "[ . 1 . 2]" 2
345 1 47 CYS H 1 48 GLY H . . 2.820 2.548 2.438 2.626 . 0 0 "[ . 1 . 2]" 2
346 1 48 GLY H 1 49 THR H . . 3.470 2.209 2.043 2.346 . 0 0 "[ . 1 . 2]" 2
347 1 44 CYS H 1 49 THR H . . 3.670 2.379 2.046 2.580 . 0 0 "[ . 1 . 2]" 2
348 1 43 VAL HB 1 49 THR H . . 4.610 3.078 2.873 3.292 . 0 0 "[ . 1 . 2]" 2
349 1 51 LEU HB3 1 55 GLY H . . 4.850 2.841 2.535 3.297 . 0 0 "[ . 1 . 2]" 2
350 1 51 LEU MD2 1 55 GLY H . . 4.850 3.544 3.025 3.879 . 0 0 "[ . 1 . 2]" 2
351 1 42 TYR QE 1 55 GLY H . . 4.700 4.371 3.859 4.728 0.028 8 0 "[ . 1 . 2]" 2
352 1 42 TYR QE 1 56 HIS H . . 4.520 4.202 3.666 4.505 . 0 0 "[ . 1 . 2]" 2
353 1 56 HIS HD2 1 57 PHE H . . 4.600 3.073 2.699 4.122 . 0 0 "[ . 1 . 2]" 2
354 1 57 PHE H 1 64 TYR H . . 3.470 2.210 1.961 2.462 . 0 0 "[ . 1 . 2]" 2
355 1 51 LEU MD1 1 65 CYS H . . 4.600 3.770 3.518 4.092 . 0 0 "[ . 1 . 2]" 2
356 1 67 LYS H 1 68 HIS H . . 3.120 2.951 2.762 3.053 . 0 0 "[ . 1 . 2]" 2
357 1 64 TYR QD 1 69 ALA H . . 4.780 4.721 4.582 4.812 0.032 14 0 "[ . 1 . 2]" 2
358 1 70 ARG H 1 71 GLU H . . 3.110 2.864 2.649 3.040 . 0 0 "[ . 1 . 2]" 2
359 1 71 GLU H 1 72 ARG H . . 3.030 2.631 2.286 2.811 . 0 0 "[ . 1 . 2]" 2
360 1 72 ARG H 1 73 VAL H . . 3.090 2.683 2.298 2.827 . 0 0 "[ . 1 . 2]" 2
361 1 20 LYS H 1 22 GLY H . . 4.780 4.494 3.978 4.813 0.033 17 0 "[ . 1 . 2]" 2
362 1 22 GLY H 1 23 THR H . . 3.710 2.332 2.022 2.640 . 0 0 "[ . 1 . 2]" 2
363 1 23 THR H 1 24 GLY H . . 4.780 4.224 2.627 4.401 . 0 0 "[ . 1 . 2]" 2
364 1 27 GLY H 1 28 VAL H . . 4.650 4.562 4.487 4.627 . 0 0 "[ . 1 . 2]" 2
365 1 25 ILE MD 1 30 VAL H . . 4.750 3.952 3.539 4.303 . 0 0 "[ . 1 . 2]" 2
366 1 33 ARG QG 1 34 ASP H . . 4.810 3.851 3.094 4.862 0.052 15 0 "[ . 1 . 2]" 2
367 1 32 LEU H 1 35 ARG H . . 4.130 4.018 3.928 4.141 0.011 4 0 "[ . 1 . 2]" 2
368 1 29 PHE H 1 30 VAL HA . . 4.780 4.637 4.569 4.693 . 0 0 "[ . 1 . 2]" 2
369 1 32 LEU H 1 36 HIS H . . 5.050 4.441 4.300 4.656 . 0 0 "[ . 1 . 2]" 2
370 1 35 ARG H 1 36 HIS H . . 4.940 4.444 4.421 4.471 . 0 0 "[ . 1 . 2]" 2
371 1 19 ASP H 1 36 HIS H . . 5.120 4.683 4.140 5.121 0.001 11 0 "[ . 1 . 2]" 2
372 1 30 VAL HA 1 37 ARG H . . 5.440 5.052 4.598 5.366 . 0 0 "[ . 1 . 2]" 2
373 1 29 PHE QD 1 37 ARG H . . 4.950 3.913 3.484 4.732 . 0 0 "[ . 1 . 2]" 2
374 1 37 ARG H 1 38 HIS H . . 4.840 4.404 4.320 4.478 . 0 0 "[ . 1 . 2]" 2
375 1 30 VAL H 1 37 ARG H . . 3.770 3.691 3.480 3.861 0.091 15 0 "[ . 1 . 2]" 2
376 1 25 ILE HG13 1 38 HIS H . . 5.500 5.370 4.408 5.581 0.081 20 0 "[ . 1 . 2]" 2
377 1 38 HIS H 1 39 PRO HD2 . . 5.020 4.731 4.705 4.768 . 0 0 "[ . 1 . 2]" 2
378 1 40 GLU H 1 42 TYR H . . 4.830 3.473 3.316 3.638 . 0 0 "[ . 1 . 2]" 2
379 1 40 GLU H 1 40 GLU HG3 . . 4.470 3.030 2.537 3.678 . 0 0 "[ . 1 . 2]" 2
380 1 43 VAL H 1 51 LEU HG . . 5.190 4.906 4.719 5.051 . 0 0 "[ . 1 . 2]" 2
381 1 45 THR H 1 63 ILE HG13 . . 4.860 3.591 2.999 3.992 . 0 0 "[ . 1 . 2]" 2
382 1 45 THR H 1 51 LEU MD1 . . 4.800 4.045 3.702 4.417 . 0 0 "[ . 1 . 2]" 2
383 1 43 VAL MG2 1 45 THR H . . 5.500 5.175 4.850 5.325 . 0 0 "[ . 1 . 2]" 2
384 1 45 THR H 1 63 ILE MD . . 5.500 4.176 3.334 4.679 . 0 0 "[ . 1 . 2]" 2
385 1 47 CYS H 1 64 TYR QD . . 4.890 4.563 4.321 4.864 . 0 0 "[ . 1 . 2]" 2
386 1 43 VAL HA 1 49 THR H . . 4.920 4.230 3.789 4.454 . 0 0 "[ . 1 . 2]" 2
387 1 49 THR H 1 65 CYS HB3 . . 5.200 4.577 4.274 4.854 . 0 0 "[ . 1 . 2]" 2
388 1 49 THR H 1 50 ASN H . . 5.490 4.525 4.478 4.561 . 0 0 "[ . 1 . 2]" 2
389 1 50 ASN H 1 51 LEU H . . 5.500 4.419 4.337 4.498 . 0 0 "[ . 1 . 2]" 2
390 1 51 LEU H 1 52 LYS H . . 3.300 2.562 2.311 2.671 . 0 0 "[ . 1 . 2]" 2
391 1 56 HIS H 1 57 PHE H . . 5.000 4.478 4.440 4.530 . 0 0 "[ . 1 . 2]" 2
392 1 57 PHE H 1 58 PHE H . . 5.180 4.469 4.408 4.511 . 0 0 "[ . 1 . 2]" 2
393 1 62 GLN H 1 63 ILE MG . . 4.940 4.678 4.596 4.741 . 0 0 "[ . 1 . 2]" 2
394 1 63 ILE HG12 1 64 TYR H . . 5.380 5.204 5.032 5.341 . 0 0 "[ . 1 . 2]" 2
395 1 63 ILE MD 1 64 TYR H . . 4.730 4.537 4.201 4.704 . 0 0 "[ . 1 . 2]" 2
396 1 44 CYS H 1 65 CYS H . . 5.500 5.439 5.313 5.517 0.017 4 0 "[ . 1 . 2]" 2
397 1 69 ALA HA 1 73 VAL H . . 4.710 3.959 3.573 4.337 . 0 0 "[ . 1 . 2]" 2
398 1 75 GLY H 1 76 PRO QD . . 4.730 4.143 3.478 4.369 . 0 0 "[ . 1 . 2]" 2
399 1 74 SER QB 1 75 GLY H . . 4.630 3.162 2.104 3.901 . 0 0 "[ . 1 . 2]" 2
400 1 38 HIS HA 1 41 CYS H . . 4.630 4.417 4.351 4.502 . 0 0 "[ . 1 . 2]" 2
401 1 45 THR H 1 46 ASP H . . 3.600 2.313 2.182 2.648 . 0 0 "[ . 1 . 2]" 2
402 1 60 GLU H 1 61 ASP H . . 5.150 2.749 2.646 2.834 . 0 0 "[ . 1 . 2]" 2
403 1 56 HIS HD2 1 58 PHE H . . 4.690 4.440 3.893 4.718 0.028 16 0 "[ . 1 . 2]" 2
404 1 18 CYS HB2 1 21 CYS H . . 4.650 4.429 4.252 4.606 . 0 0 "[ . 1 . 2]" 2
405 1 23 THR H 1 38 HIS HE1 . . 4.430 3.463 2.949 3.930 . 0 0 "[ . 1 . 2]" 2
406 1 59 VAL H 1 63 ILE MG . . 4.810 4.500 4.316 4.685 . 0 0 "[ . 1 . 2]" 2
407 1 58 PHE QD 1 59 VAL H . . 4.290 3.532 3.290 3.725 . 0 0 "[ . 1 . 2]" 2
408 1 50 ASN HA 1 52 LYS H . . 4.310 3.390 3.312 3.520 . 0 0 "[ . 1 . 2]" 2
409 1 50 ASN QB 1 52 LYS H . . 4.400 3.030 2.566 3.623 . 0 0 "[ . 1 . 2]" 2
410 1 51 LEU HB2 1 52 LYS H . . 4.790 3.780 3.564 3.859 . 0 0 "[ . 1 . 2]" 2
411 1 30 VAL H 1 38 HIS HA . . 4.780 3.300 3.050 3.562 . 0 0 "[ . 1 . 2]" 2
412 1 63 ILE H 1 64 TYR H . . 4.960 4.407 4.329 4.451 . 0 0 "[ . 1 . 2]" 2
413 1 65 CYS H 1 69 ALA H . . 4.440 3.490 3.234 3.740 . 0 0 "[ . 1 . 2]" 2
414 1 47 CYS H 1 48 GLY HA2 . . 5.130 4.535 4.483 4.602 . 0 0 "[ . 1 . 2]" 2
415 1 43 VAL HB 1 48 GLY HA2 . . 3.990 2.640 2.193 2.812 . 0 0 "[ . 1 . 2]" 2
416 1 43 VAL MG2 1 48 GLY HA2 . . 3.700 2.390 2.083 2.675 . 0 0 "[ . 1 . 2]" 2
417 1 43 VAL HB 1 48 GLY HA3 . . 3.990 3.686 3.261 3.870 . 0 0 "[ . 1 . 2]" 2
418 1 43 VAL MG2 1 48 GLY HA3 . . 3.700 3.153 2.682 3.494 . 0 0 "[ . 1 . 2]" 2
419 1 17 MET H 1 24 GLY HA2 . . 4.610 3.783 3.253 4.059 . 0 0 "[ . 1 . 2]" 2
420 1 15 LEU HB3 1 24 GLY HA2 . . 4.600 3.893 2.990 4.342 . 0 0 "[ . 1 . 2]" 2
421 1 17 MET HA 1 24 GLY HA3 . . 4.280 3.892 3.596 4.248 . 0 0 "[ . 1 . 2]" 2
422 1 15 LEU HB3 1 24 GLY HA3 . . 4.600 4.048 2.852 4.699 0.099 17 0 "[ . 1 . 2]" 2
423 1 64 TYR HB3 1 68 HIS HB2 . . 3.890 2.651 2.336 2.905 . 0 0 "[ . 1 . 2]" 2
424 1 64 TYR HB3 1 69 ALA MB . . 3.960 3.647 3.391 3.925 . 0 0 "[ . 1 . 2]" 2
425 1 64 TYR HB2 1 68 HIS HB3 . . 4.840 4.016 3.697 4.313 . 0 0 "[ . 1 . 2]" 2
426 1 64 TYR HB2 1 68 HIS HB2 . . 4.430 3.940 3.326 4.232 . 0 0 "[ . 1 . 2]" 2
427 1 64 TYR HB2 1 69 ALA MB . . 3.400 2.612 2.276 2.856 . 0 0 "[ . 1 . 2]" 2
428 1 75 GLY HA3 1 76 PRO QD . . 3.090 2.447 1.853 3.058 . 0 0 "[ . 1 . 2]" 2
429 1 27 GLY HA2 1 28 VAL HB . . 5.440 5.250 5.090 5.702 0.262 11 0 "[ . 1 . 2]" 2
430 1 27 GLY HA3 1 28 VAL H . . 3.290 2.193 2.147 2.331 . 0 0 "[ . 1 . 2]" 2
431 1 32 LEU HB2 1 35 ARG QB . . 4.740 2.311 1.941 2.647 . 0 0 "[ . 1 . 2]" 2
432 1 32 LEU HB2 1 63 ILE MG . . 5.500 5.410 4.632 5.615 0.115 19 0 "[ . 1 . 2]" 2
433 1 32 LEU HB3 1 58 PHE QE . . 5.340 3.887 2.610 4.262 . 0 0 "[ . 1 . 2]" 2
434 1 32 LEU HB3 1 35 ARG QB . . 4.740 2.939 2.666 3.220 . 0 0 "[ . 1 . 2]" 2
435 1 32 LEU HB3 1 35 ARG QG . . 4.750 4.357 3.936 4.748 . 0 0 "[ . 1 . 2]" 2
436 1 29 PHE QB 1 36 HIS HB3 . . 4.750 4.345 3.592 4.729 . 0 0 "[ . 1 . 2]" 2
437 1 46 ASP HB2 1 68 HIS HB3 . . 4.130 3.626 3.231 3.907 . 0 0 "[ . 1 . 2]" 2
438 1 46 ASP H 1 46 ASP HB3 . . 3.360 2.761 2.539 3.469 0.109 13 0 "[ . 1 . 2]" 2
439 1 46 ASP HB3 1 64 TYR QD . . 3.970 3.606 3.156 3.991 0.021 13 0 "[ . 1 . 2]" 2
440 1 46 ASP HB3 1 68 HIS HB3 . . 4.130 4.014 3.733 4.136 0.006 6 0 "[ . 1 . 2]" 2
441 1 19 ASP H 1 19 ASP HB2 . . 3.500 2.589 2.166 3.209 . 0 0 "[ . 1 . 2]" 2
442 1 19 ASP HB2 1 35 ARG QB . . 4.310 3.401 2.934 3.728 . 0 0 "[ . 1 . 2]" 2
443 1 19 ASP H 1 19 ASP HB3 . . 3.500 2.782 2.266 3.493 . 0 0 "[ . 1 . 2]" 2
444 1 19 ASP HB3 1 35 ARG QB . . 4.310 4.249 4.029 4.412 0.102 17 0 "[ . 1 . 2]" 2
445 1 72 ARG HB3 1 72 ARG HD3 . . 3.820 2.493 2.132 2.836 . 0 0 "[ . 1 . 2]" 2
446 1 72 ARG HB2 1 72 ARG HD3 . . 3.550 2.674 2.218 3.149 . 0 0 "[ . 1 . 2]" 2
447 1 59 VAL MG1 1 72 ARG HD3 . . 4.270 2.396 1.961 2.971 . 0 0 "[ . 1 . 2]" 2
448 1 64 TYR QE 1 72 ARG HD3 . . 4.460 3.605 3.216 3.892 . 0 0 "[ . 1 . 2]" 2
449 1 72 ARG H 1 72 ARG HD2 . . 5.050 4.472 3.944 5.074 0.024 7 0 "[ . 1 . 2]" 2
450 1 64 TYR QE 1 72 ARG HD2 . . 4.460 3.568 3.065 3.870 . 0 0 "[ . 1 . 2]" 2
451 1 72 ARG HA 1 72 ARG HD2 . . 4.830 4.703 4.607 4.788 . 0 0 "[ . 1 . 2]" 2
452 1 72 ARG HB3 1 72 ARG HD2 . . 3.820 3.414 2.953 3.824 0.004 15 0 "[ . 1 . 2]" 2
453 1 72 ARG HB2 1 72 ARG HD2 . . 3.550 3.084 2.547 3.614 0.064 7 0 "[ . 1 . 2]" 2
454 1 59 VAL MG1 1 72 ARG HD2 . . 4.270 3.457 2.771 4.030 . 0 0 "[ . 1 . 2]" 2
455 1 57 PHE HB2 1 64 TYR H . . 4.880 3.381 3.152 3.595 . 0 0 "[ . 1 . 2]" 2
456 1 56 HIS HB3 1 63 ILE HB . . 4.250 3.920 3.658 4.225 . 0 0 "[ . 1 . 2]" 2
457 1 56 HIS HB2 1 63 ILE HB . . 3.600 2.431 2.169 2.643 . 0 0 "[ . 1 . 2]" 2
458 1 51 LEU MD1 1 63 ILE HB . . 4.010 3.053 2.751 3.510 . 0 0 "[ . 1 . 2]" 2
459 1 58 PHE HB2 1 59 VAL H . . 4.670 4.508 4.451 4.541 . 0 0 "[ . 1 . 2]" 2
460 1 15 LEU H 1 15 LEU HB2 . . 3.920 2.787 2.533 2.934 . 0 0 "[ . 1 . 2]" 2
461 1 15 LEU HB2 1 24 GLY HA2 . . 4.600 3.108 2.566 3.438 . 0 0 "[ . 1 . 2]" 2
462 1 15 LEU HB2 1 16 PRO HD2 . . 4.070 3.638 2.976 3.884 . 0 0 "[ . 1 . 2]" 2
463 1 15 LEU HB2 1 24 GLY HA3 . . 4.600 2.935 2.045 3.376 . 0 0 "[ . 1 . 2]" 2
464 1 15 LEU HB2 1 15 LEU MD2 . . 3.600 3.015 2.083 3.194 . 0 0 "[ . 1 . 2]" 2
465 1 15 LEU HB3 1 25 ILE H . . 4.310 3.235 2.563 3.608 . 0 0 "[ . 1 . 2]" 2
466 1 15 LEU HB3 1 16 PRO HD2 . . 4.070 2.235 1.897 2.480 . 0 0 "[ . 1 . 2]" 2
467 1 15 LEU HB3 1 15 LEU MD1 . . 3.600 2.465 2.217 2.574 . 0 0 "[ . 1 . 2]" 2
468 1 61 ASP H 1 61 ASP HB2 . . 3.800 3.103 3.008 3.164 . 0 0 "[ . 1 . 2]" 2
469 1 60 GLU QB 1 61 ASP HB2 . . 4.960 4.785 4.607 4.944 . 0 0 "[ . 1 . 2]" 2
470 1 61 ASP H 1 61 ASP HB3 . . 3.800 3.698 3.591 3.800 0.000 5 0 "[ . 1 . 2]" 2
471 1 60 GLU QB 1 61 ASP HB3 . . 4.960 4.330 4.187 4.487 . 0 0 "[ . 1 . 2]" 2
472 1 23 THR HB 1 38 HIS HE1 . . 4.270 4.015 3.592 4.277 0.007 17 0 "[ . 1 . 2]" 2
473 1 43 VAL MG1 1 50 ASN QB . . 4.330 3.523 3.062 3.995 . 0 0 "[ . 1 . 2]" 2
474 1 16 PRO HD2 1 25 ILE HB . . 4.290 3.096 2.479 3.287 . 0 0 "[ . 1 . 2]" 2
475 1 16 PRO HB2 1 25 ILE HB . . 4.250 3.857 3.656 4.154 . 0 0 "[ . 1 . 2]" 2
476 1 49 THR HB 1 50 ASN H . . 4.470 4.015 3.857 4.143 . 0 0 "[ . 1 . 2]" 2
477 1 49 THR H 1 49 THR HB . . 3.080 2.875 2.799 3.011 . 0 0 "[ . 1 . 2]" 2
478 1 45 THR HB 1 46 ASP H . . 4.090 2.786 2.672 2.952 . 0 0 "[ . 1 . 2]" 2
479 1 45 THR HB 1 64 TYR QD . . 4.210 2.928 2.511 3.155 . 0 0 "[ . 1 . 2]" 2
480 1 45 THR HB 1 64 TYR QE . . 3.540 2.222 1.991 2.534 . 0 0 "[ . 1 . 2]" 2
481 1 45 THR HB 1 62 GLN QB . . 4.700 3.885 3.419 4.139 . 0 0 "[ . 1 . 2]" 2
482 1 30 VAL HB 1 42 TYR HB2 . . 4.630 3.054 2.576 3.842 . 0 0 "[ . 1 . 2]" 2
483 1 43 VAL HB 1 50 ASN HA . . 4.760 3.843 3.545 4.229 . 0 0 "[ . 1 . 2]" 2
484 1 66 GLU H 1 66 GLU HG3 . . 4.660 4.453 4.401 4.493 . 0 0 "[ . 1 . 2]" 2
485 1 66 GLU HG3 1 70 ARG H . . 5.500 4.579 4.241 5.050 . 0 0 "[ . 1 . 2]" 2
486 1 57 PHE QE 1 66 GLU HG3 . . 4.340 3.114 2.192 3.731 . 0 0 "[ . 1 . 2]" 2
487 1 57 PHE HZ 1 66 GLU HG3 . . 4.720 3.344 2.536 3.835 . 0 0 "[ . 1 . 2]" 2
488 1 45 THR HA 1 45 THR MG . . 3.120 2.359 2.258 2.459 . 0 0 "[ . 1 . 2]" 2
489 1 39 PRO HA 1 42 TYR QD . . 5.130 4.881 4.547 5.121 . 0 0 "[ . 1 . 2]" 2
490 1 38 HIS HA 1 39 PRO HA . . 4.460 4.386 4.385 4.387 . 0 0 "[ . 1 . 2]" 2
491 1 39 PRO HA 1 42 TYR HB3 . . 4.040 4.008 3.677 4.164 0.124 19 0 "[ . 1 . 2]" 2
492 1 39 PRO HA 1 42 TYR HB2 . . 3.920 3.789 3.461 3.956 0.036 12 0 "[ . 1 . 2]" 2
493 1 29 PHE QE 1 31 LYS HB3 . . 4.410 3.787 3.509 4.130 . 0 0 "[ . 1 . 2]" 2
494 1 31 LYS HB2 1 32 LEU H . . 4.760 4.498 4.371 4.583 . 0 0 "[ . 1 . 2]" 2
495 1 29 PHE QE 1 31 LYS HB2 . . 3.810 2.092 1.982 2.460 . 0 0 "[ . 1 . 2]" 2
496 1 62 GLN HE22 1 62 GLN QG . . 3.790 3.280 3.217 3.376 . 0 0 "[ . 1 . 2]" 2
497 1 62 GLN HA 1 62 GLN QG . . 3.510 2.502 2.193 2.925 . 0 0 "[ . 1 . 2]" 2
498 1 59 VAL HB 1 64 TYR QD . . 3.930 2.485 2.260 4.300 0.370 16 0 "[ . 1 . 2]" 2
499 1 30 VAL HB 1 37 ARG H . . 4.060 3.812 3.346 4.470 0.410 18 0 "[ . 1 . 2]" 2
500 1 29 PHE HA 1 30 VAL HB . . 5.050 4.893 4.672 5.526 0.476 18 0 "[ . 1 . 2]" 2
501 1 30 VAL HB 1 37 ARG HB3 . . 4.250 3.948 3.057 4.568 0.318 20 0 "[ . 1 . 2]" 2
502 1 47 CYS HB2 1 48 GLY H . . 4.720 2.940 2.781 3.123 . 0 0 "[ . 1 . 2]" 2
503 1 47 CYS HB2 1 68 HIS HE1 . . 4.010 3.875 3.613 4.030 0.020 18 0 "[ . 1 . 2]" 2
504 1 44 CYS HB3 1 65 CYS H . . 4.450 4.259 4.120 4.457 0.007 7 0 "[ . 1 . 2]" 2
505 1 44 CYS HB3 1 48 GLY H . . 3.130 1.901 1.874 1.969 . 0 0 "[ . 1 . 2]" 2
506 1 43 VAL HA 1 44 CYS HB3 . . 4.970 4.881 4.764 4.977 0.007 8 0 "[ . 1 . 2]" 2
507 1 43 VAL HA 1 44 CYS HB2 . . 4.930 4.661 4.609 4.714 . 0 0 "[ . 1 . 2]" 2
508 1 42 TYR QE 1 52 LYS HB2 . . 5.250 4.154 3.837 4.648 . 0 0 "[ . 1 . 2]" 2
509 1 28 VAL HB 1 29 PHE H . . 4.060 3.986 3.759 4.080 0.020 3 0 "[ . 1 . 2]" 2
510 1 26 VAL H 1 26 VAL HB . . 3.420 3.190 2.804 3.418 . 0 0 "[ . 1 . 2]" 2
511 1 25 ILE HA 1 26 VAL HB . . 4.780 4.527 4.329 4.855 0.075 8 0 "[ . 1 . 2]" 2
512 1 59 VAL HA 1 60 GLU H . . 3.340 2.145 2.141 2.156 . 0 0 "[ . 1 . 2]" 2
513 1 59 VAL HA 1 59 VAL MG1 . . 3.100 2.408 2.300 3.110 0.010 16 0 "[ . 1 . 2]" 2
514 1 49 THR HA 1 50 ASN H . . 3.160 2.266 2.193 2.374 . 0 0 "[ . 1 . 2]" 2
515 1 49 THR HA 1 50 ASN QB . . 4.520 4.304 4.098 4.526 0.006 16 0 "[ . 1 . 2]" 2
516 1 49 THR HA 1 49 THR MG . . 3.430 3.195 3.184 3.207 . 0 0 "[ . 1 . 2]" 2
517 1 43 VAL MG1 1 49 THR HA . . 4.530 3.587 3.306 3.958 . 0 0 "[ . 1 . 2]" 2
518 1 28 VAL HA 1 29 PHE QD . . 4.490 3.944 2.875 4.337 . 0 0 "[ . 1 . 2]" 2
519 1 28 VAL HA 1 28 VAL MG2 . . 3.270 2.356 2.282 2.511 . 0 0 "[ . 1 . 2]" 2
520 1 28 VAL HA 1 28 VAL MG1 . . 3.270 3.141 2.185 3.203 . 0 0 "[ . 1 . 2]" 2
521 1 20 LYS HB2 1 41 CYS HB3 . . 3.800 2.417 2.000 2.968 . 0 0 "[ . 1 . 2]" 2
522 1 20 LYS HD3 1 41 CYS HB3 . . 4.520 2.806 1.980 3.930 . 0 0 "[ . 1 . 2]" 2
523 1 20 LYS HD2 1 41 CYS HB3 . . 4.520 3.486 2.126 4.319 . 0 0 "[ . 1 . 2]" 2
524 1 20 LYS HB3 1 41 CYS HB3 . . 3.800 2.146 1.928 2.406 . 0 0 "[ . 1 . 2]" 2
525 1 20 LYS QG 1 41 CYS HB3 . . 3.890 2.702 1.955 3.429 . 0 0 "[ . 1 . 2]" 2
526 1 37 ARG HA 1 41 CYS HB2 . . 4.900 4.338 4.136 4.471 . 0 0 "[ . 1 . 2]" 2
527 1 38 HIS HB2 1 41 CYS HB2 . . 3.670 2.245 2.061 2.579 . 0 0 "[ . 1 . 2]" 2
528 1 37 ARG HB3 1 41 CYS HB2 . . 3.930 3.195 2.854 3.616 . 0 0 "[ . 1 . 2]" 2
529 1 20 LYS HB3 1 41 CYS HB2 . . 4.190 3.281 2.938 3.650 . 0 0 "[ . 1 . 2]" 2
530 1 20 LYS QG 1 41 CYS HB2 . . 4.890 4.245 3.445 4.912 0.022 1 0 "[ . 1 . 2]" 2
531 1 37 ARG HB2 1 41 CYS HB2 . . 5.150 4.922 4.612 5.226 0.076 19 0 "[ . 1 . 2]" 2
532 1 20 LYS HB2 1 41 CYS HB2 . . 4.190 3.610 3.035 4.184 . 0 0 "[ . 1 . 2]" 2
533 1 18 CYS HB3 1 22 GLY H . . 4.470 2.101 1.869 2.645 . 0 0 "[ . 1 . 2]" 2
534 1 18 CYS HB3 1 25 ILE MD . . 4.430 4.136 3.739 4.432 0.002 16 0 "[ . 1 . 2]" 2
535 1 65 CYS H 1 65 CYS HB2 . . 4.070 3.615 3.575 3.655 . 0 0 "[ . 1 . 2]" 2
536 1 49 THR MG 1 65 CYS HB2 . . 3.770 3.267 2.900 3.561 . 0 0 "[ . 1 . 2]" 2
537 1 51 LEU MD2 1 65 CYS HB2 . . 3.340 2.874 2.522 3.061 . 0 0 "[ . 1 . 2]" 2
538 1 65 CYS HB3 1 66 GLU H . . 4.290 3.971 3.783 4.096 . 0 0 "[ . 1 . 2]" 2
539 1 18 CYS HB2 1 38 HIS H . . 4.170 3.576 2.470 4.191 0.021 13 0 "[ . 1 . 2]" 2
540 1 18 CYS HB2 1 23 THR H . . 4.430 3.384 2.869 4.458 0.028 17 0 "[ . 1 . 2]" 2
541 1 18 CYS HB2 1 38 HIS HE1 . . 4.210 2.656 2.220 3.488 . 0 0 "[ . 1 . 2]" 2
542 1 18 CYS HB2 1 25 ILE MD . . 3.800 2.860 2.349 3.359 . 0 0 "[ . 1 . 2]" 2
543 1 18 CYS HB2 1 25 ILE HG12 . . 3.930 2.773 2.469 3.123 . 0 0 "[ . 1 . 2]" 2
544 1 69 ALA HA 1 72 ARG HB2 . . 4.530 2.595 2.315 2.752 . 0 0 "[ . 1 . 2]" 2
545 1 68 HIS HA 1 68 HIS HD2 . . 3.180 2.351 2.176 2.814 . 0 0 "[ . 1 . 2]" 2
546 1 68 HIS HA 1 71 GLU HG3 . . 4.650 3.026 2.493 3.866 . 0 0 "[ . 1 . 2]" 2
547 1 68 HIS HA 1 71 GLU HG2 . . 4.650 4.000 2.106 4.683 0.033 16 0 "[ . 1 . 2]" 2
548 1 68 HIS HA 1 71 GLU QB . . 3.350 2.789 2.435 3.198 . 0 0 "[ . 1 . 2]" 2
549 1 16 PRO HB3 1 36 HIS HB2 . . 4.500 3.592 3.178 4.377 . 0 0 "[ . 1 . 2]" 2
550 1 16 PRO HB2 1 36 HIS HB3 . . 4.490 2.568 1.998 3.278 . 0 0 "[ . 1 . 2]" 2
551 1 16 PRO HB3 1 25 ILE MD . . 4.330 4.150 3.840 4.360 0.030 8 0 "[ . 1 . 2]" 2
552 1 16 PRO HB2 1 36 HIS HB2 . . 4.290 2.416 2.001 3.021 . 0 0 "[ . 1 . 2]" 2
553 1 64 TYR QD 1 68 HIS HB3 . . 3.930 3.785 3.667 3.891 . 0 0 "[ . 1 . 2]" 2
554 1 64 TYR HB3 1 68 HIS HB3 . . 4.220 2.907 2.665 3.148 . 0 0 "[ . 1 . 2]" 2
555 1 46 ASP HB2 1 68 HIS HB2 . . 4.680 4.200 3.487 4.576 . 0 0 "[ . 1 . 2]" 2
556 1 26 VAL HA 1 26 VAL MG2 . . 3.290 2.384 2.243 2.474 . 0 0 "[ . 1 . 2]" 2
557 1 15 LEU MD2 1 26 VAL HA . . 3.730 3.079 2.443 3.815 0.085 17 0 "[ . 1 . 2]" 2
558 1 25 ILE MG 1 26 VAL HA . . 4.330 3.534 3.149 3.848 . 0 0 "[ . 1 . 2]" 2
559 1 38 HIS HB3 1 41 CYS HB2 . . 4.200 3.764 3.540 4.077 . 0 0 "[ . 1 . 2]" 2
560 1 38 HIS HB3 1 40 GLU QB . . 4.950 4.217 3.661 4.354 . 0 0 "[ . 1 . 2]" 2
561 1 38 HIS HB2 1 41 CYS HB3 . . 4.740 3.712 3.564 3.957 . 0 0 "[ . 1 . 2]" 2
562 1 29 PHE QD 1 30 VAL HA . . 4.070 3.598 3.401 4.177 0.107 17 0 "[ . 1 . 2]" 2
563 1 30 VAL HA 1 31 LYS HB2 . . 4.650 4.466 4.257 4.611 . 0 0 "[ . 1 . 2]" 2
564 1 30 VAL HA 1 30 VAL MG1 . . 3.010 2.403 2.202 2.727 . 0 0 "[ . 1 . 2]" 2
565 1 57 PHE QE 1 66 GLU QB . . 3.780 2.279 1.990 2.898 . 0 0 "[ . 1 . 2]" 2
566 1 49 THR MG 1 54 LYS HD3 . . 4.620 3.318 2.193 4.402 . 0 0 "[ . 1 . 2]" 2
567 1 49 THR MG 1 54 LYS HD2 . . 4.620 2.773 2.155 3.748 . 0 0 "[ . 1 . 2]" 2
568 1 25 ILE HA 1 38 HIS HD2 . . 4.110 3.716 2.086 4.019 . 0 0 "[ . 1 . 2]" 2
569 1 25 ILE HA 1 25 ILE HG13 . . 3.800 2.876 2.674 2.995 . 0 0 "[ . 1 . 2]" 2
570 1 25 ILE HA 1 25 ILE MD . . 4.460 3.863 3.793 3.953 . 0 0 "[ . 1 . 2]" 2
571 1 25 ILE HA 1 25 ILE HG12 . . 3.630 2.641 2.475 2.911 . 0 0 "[ . 1 . 2]" 2
572 1 66 GLU HA 1 69 ALA H . . 4.100 3.974 3.720 4.117 0.017 7 0 "[ . 1 . 2]" 2
573 1 57 PHE QD 1 66 GLU HA . . 3.530 2.958 2.235 3.516 . 0 0 "[ . 1 . 2]" 2
574 1 65 CYS HA 1 66 GLU HA . . 4.420 4.307 4.296 4.317 . 0 0 "[ . 1 . 2]" 2
575 1 57 PHE HB2 1 66 GLU HA . . 4.440 4.227 3.991 4.428 . 0 0 "[ . 1 . 2]" 2
576 1 66 GLU HA 1 66 GLU HG3 . . 3.150 2.641 2.561 2.760 . 0 0 "[ . 1 . 2]" 2
577 1 66 GLU HA 1 69 ALA MB . . 3.290 2.493 2.267 2.720 . 0 0 "[ . 1 . 2]" 2
578 1 42 TYR QD 1 52 LYS HA . . 3.680 2.844 2.459 3.202 . 0 0 "[ . 1 . 2]" 2
579 1 42 TYR QE 1 52 LYS HA . . 2.900 2.016 1.884 2.318 . 0 0 "[ . 1 . 2]" 2
580 1 52 LYS HA 1 52 LYS HD2 . . 4.740 3.734 1.972 4.667 . 0 0 "[ . 1 . 2]" 2
581 1 52 LYS HA 1 52 LYS HD3 . . 4.740 3.950 3.005 4.714 . 0 0 "[ . 1 . 2]" 2
582 1 52 LYS HA 1 52 LYS HG3 . . 3.990 2.744 2.213 3.559 . 0 0 "[ . 1 . 2]" 2
583 1 52 LYS HA 1 52 LYS HG2 . . 3.990 3.169 2.208 3.803 . 0 0 "[ . 1 . 2]" 2
584 1 63 ILE HA 1 64 TYR QD . . 3.690 3.565 3.222 3.708 0.018 16 0 "[ . 1 . 2]" 2
585 1 57 PHE HB2 1 63 ILE HA . . 5.040 4.823 4.643 4.978 . 0 0 "[ . 1 . 2]" 2
586 1 63 ILE HA 1 63 ILE MD . . 4.350 4.126 4.097 4.161 . 0 0 "[ . 1 . 2]" 2
587 1 63 ILE HA 1 63 ILE MG . . 3.020 2.227 2.146 2.307 . 0 0 "[ . 1 . 2]" 2
588 1 44 CYS HA 1 65 CYS H . . 4.060 3.995 3.832 4.085 0.025 16 0 "[ . 1 . 2]" 2
589 1 44 CYS HA 1 46 ASP H . . 4.370 4.158 3.779 4.349 . 0 0 "[ . 1 . 2]" 2
590 1 44 CYS HA 1 45 THR H . . 2.980 2.314 2.149 2.391 . 0 0 "[ . 1 . 2]" 2
591 1 44 CYS HA 1 64 TYR HA . . 3.060 2.678 2.263 3.010 . 0 0 "[ . 1 . 2]" 2
592 1 44 CYS HA 1 51 LEU HG . . 4.850 3.777 3.562 4.020 . 0 0 "[ . 1 . 2]" 2
593 1 44 CYS HA 1 63 ILE HB . . 5.480 4.494 4.213 5.030 . 0 0 "[ . 1 . 2]" 2
594 1 44 CYS HA 1 49 THR MG . . 4.820 4.443 4.131 4.710 . 0 0 "[ . 1 . 2]" 2
595 1 44 CYS HA 1 51 LEU MD2 . . 3.940 3.443 3.185 3.758 . 0 0 "[ . 1 . 2]" 2
596 1 44 CYS HA 1 51 LEU MD1 . . 3.440 2.133 1.964 2.436 . 0 0 "[ . 1 . 2]" 2
597 1 33 ARG HB2 1 34 ASP H . . 3.550 2.698 2.065 3.928 0.378 15 0 "[ . 1 . 2]" 2
598 1 33 ARG HB2 1 35 ARG H . . 4.930 4.236 3.761 4.938 0.008 9 0 "[ . 1 . 2]" 2
599 1 33 ARG HB3 1 34 ASP H . . 3.550 2.377 1.805 3.452 . 0 0 "[ . 1 . 2]" 2
600 1 20 LYS QG 1 41 CYS HA . . 4.490 3.794 3.224 4.523 0.033 17 0 "[ . 1 . 2]" 2
601 1 41 CYS HA 1 43 VAL MG2 . . 3.510 2.781 2.575 2.926 . 0 0 "[ . 1 . 2]" 2
602 1 20 LYS QE 1 41 CYS HA . . 3.930 3.478 1.960 3.997 0.067 2 0 "[ . 1 . 2]" 2
603 1 60 GLU QB 1 61 ASP H . . 3.940 3.861 3.851 3.875 . 0 0 "[ . 1 . 2]" 2
604 1 66 GLU HG2 1 67 LYS HA . . 3.860 3.511 3.312 3.616 . 0 0 "[ . 1 . 2]" 2
605 1 67 LYS HA 1 70 ARG QB . . 4.270 3.825 3.197 4.329 0.059 16 0 "[ . 1 . 2]" 2
606 1 67 LYS HA 1 67 LYS HD2 . . 5.250 4.554 4.390 4.629 . 0 0 "[ . 1 . 2]" 2
607 1 67 LYS HA 1 67 LYS HG3 . . 3.450 2.909 2.682 3.527 0.077 14 0 "[ . 1 . 2]" 2
608 1 67 LYS HA 1 67 LYS HG2 . . 3.860 2.887 2.373 3.132 . 0 0 "[ . 1 . 2]" 2
609 1 32 LEU HA 1 33 ARG HA . . 4.700 4.300 4.296 4.303 . 0 0 "[ . 1 . 2]" 2
610 1 33 ARG HA 1 33 ARG HD3 . . 4.800 4.306 2.631 4.706 . 0 0 "[ . 1 . 2]" 2
611 1 33 ARG HA 1 33 ARG HD2 . . 4.800 4.091 2.853 4.699 . 0 0 "[ . 1 . 2]" 2
612 1 33 ARG HA 1 33 ARG QG . . 3.060 2.332 2.138 3.283 0.223 15 0 "[ . 1 . 2]" 2
613 1 73 VAL MG1 1 74 SER HA . . 5.440 3.743 3.230 5.399 . 0 0 "[ . 1 . 2]" 2
614 1 40 GLU HA 1 40 GLU HG3 . . 3.940 3.690 3.450 3.906 . 0 0 "[ . 1 . 2]" 2
615 1 40 GLU HA 1 40 GLU HG2 . . 3.940 3.757 2.612 3.934 . 0 0 "[ . 1 . 2]" 2
616 1 40 GLU HA 1 40 GLU QB . . 2.800 2.184 2.175 2.291 . 0 0 "[ . 1 . 2]" 2
617 1 40 GLU HA 1 43 VAL MG1 . . 4.570 3.509 3.226 3.912 . 0 0 "[ . 1 . 2]" 2
618 1 70 ARG HA 1 73 VAL HB . . 4.430 3.845 2.808 4.571 0.141 14 0 "[ . 1 . 2]" 2
619 1 70 ARG HA 1 70 ARG HG3 . . 3.920 3.150 2.669 3.658 . 0 0 "[ . 1 . 2]" 2
620 1 58 PHE HA 1 59 VAL H . . 2.810 2.146 2.140 2.150 . 0 0 "[ . 1 . 2]" 2
621 1 58 PHE HA 1 58 PHE QD . . 3.480 2.244 2.024 2.531 . 0 0 "[ . 1 . 2]" 2
622 1 58 PHE HA 1 63 ILE HB . . 5.500 5.497 5.290 5.571 0.071 5 0 "[ . 1 . 2]" 2
623 1 58 PHE HA 1 63 ILE MG . . 3.730 3.573 3.349 3.752 0.022 5 0 "[ . 1 . 2]" 2
624 1 20 LYS QG 1 21 CYS HA . . 4.660 3.857 3.249 4.484 . 0 0 "[ . 1 . 2]" 2
625 1 53 GLN HA 1 53 GLN QG . . 3.450 2.509 2.239 2.821 . 0 0 "[ . 1 . 2]" 2
626 1 47 CYS HA 1 47 CYS HB2 . . 2.990 2.609 2.586 2.631 . 0 0 "[ . 1 . 2]" 2
627 1 38 HIS HA 1 38 HIS HD2 . . 3.980 2.828 2.479 3.068 . 0 0 "[ . 1 . 2]" 2
628 1 25 ILE MG 1 38 HIS HA . . 3.530 3.057 2.516 3.512 . 0 0 "[ . 1 . 2]" 2
629 1 25 ILE HG12 1 38 HIS HA . . 4.520 3.499 2.607 3.876 . 0 0 "[ . 1 . 2]" 2
630 1 71 GLU HA 1 71 GLU HG3 . . 3.820 3.353 2.937 3.820 . 0 0 "[ . 1 . 2]" 2
631 1 71 GLU HA 1 71 GLU HG2 . . 3.820 2.704 2.325 3.893 0.073 15 0 "[ . 1 . 2]" 2
632 1 60 GLU HA 1 61 ASP H . . 3.520 2.780 2.745 2.805 . 0 0 "[ . 1 . 2]" 2
633 1 20 LYS HA 1 20 LYS HD3 . . 4.460 3.782 2.603 4.495 0.035 18 0 "[ . 1 . 2]" 2
634 1 20 LYS HA 1 20 LYS QG . . 3.270 2.478 2.218 2.834 . 0 0 "[ . 1 . 2]" 2
635 1 72 ARG HA 1 72 ARG HD3 . . 4.830 4.307 3.993 4.506 . 0 0 "[ . 1 . 2]" 2
636 1 72 ARG HA 1 72 ARG HG3 . . 3.560 2.943 2.690 3.225 . 0 0 "[ . 1 . 2]" 2
637 1 46 ASP H 1 64 TYR HA . . 4.730 3.871 3.596 4.084 . 0 0 "[ . 1 . 2]" 2
638 1 64 TYR HA 1 64 TYR QD . . 3.600 2.895 2.796 3.071 . 0 0 "[ . 1 . 2]" 2
639 1 44 CYS HB2 1 64 TYR HA . . 4.320 3.514 3.257 3.839 . 0 0 "[ . 1 . 2]" 2
640 1 51 LEU MD1 1 64 TYR HA . . 4.430 3.163 2.856 3.479 . 0 0 "[ . 1 . 2]" 2
641 1 64 TYR HA 1 68 HIS HB2 . . 4.660 4.509 4.252 4.696 0.036 19 0 "[ . 1 . 2]" 2
642 1 63 ILE HB 1 64 TYR HA . . 4.470 4.317 4.283 4.378 . 0 0 "[ . 1 . 2]" 2
643 1 65 CYS HA 1 66 GLU H . . 2.980 2.224 2.189 2.283 . 0 0 "[ . 1 . 2]" 2
644 1 57 PHE QD 1 65 CYS HA . . 4.390 4.028 3.617 4.359 . 0 0 "[ . 1 . 2]" 2
645 1 65 CYS HA 1 66 GLU QB . . 4.240 4.198 4.168 4.233 . 0 0 "[ . 1 . 2]" 2
646 1 51 LEU MD2 1 65 CYS HA . . 3.050 2.067 1.878 2.486 . 0 0 "[ . 1 . 2]" 2
647 1 51 LEU MD1 1 65 CYS HA . . 4.080 3.139 2.712 3.384 . 0 0 "[ . 1 . 2]" 2
648 1 56 HIS HD2 1 57 PHE HA . . 4.320 3.585 2.826 4.326 0.006 9 0 "[ . 1 . 2]" 2
649 1 57 PHE HA 1 57 PHE QD . . 3.640 2.990 2.878 3.099 . 0 0 "[ . 1 . 2]" 2
650 1 57 PHE HA 1 69 ALA MB . . 4.640 4.285 4.134 4.460 . 0 0 "[ . 1 . 2]" 2
651 1 43 VAL HA 1 51 LEU HG . . 3.210 2.364 2.006 2.617 . 0 0 "[ . 1 . 2]" 2
652 1 43 VAL HA 1 51 LEU MD1 . . 4.060 3.295 2.857 3.704 . 0 0 "[ . 1 . 2]" 2
653 1 54 LYS HA 1 54 LYS HG2 . . 3.820 2.507 2.209 2.649 . 0 0 "[ . 1 . 2]" 2
654 1 54 LYS HA 1 54 LYS HG3 . . 3.820 3.133 2.978 3.295 . 0 0 "[ . 1 . 2]" 2
655 1 19 ASP HA 1 35 ARG QB . . 5.500 5.456 4.802 5.565 0.065 7 0 "[ . 1 . 2]" 2
656 1 14 LYS HA 1 14 LYS HG2 . . 3.930 3.274 2.251 3.911 . 0 0 "[ . 1 . 2]" 2
657 1 14 LYS HA 1 14 LYS HG3 . . 3.930 3.037 2.213 3.888 . 0 0 "[ . 1 . 2]" 2
658 1 36 HIS HA 1 36 HIS HD2 . . 4.270 3.554 3.085 3.871 . 0 0 "[ . 1 . 2]" 2
659 1 35 ARG QB 1 36 HIS HA . . 4.700 3.968 3.920 4.017 . 0 0 "[ . 1 . 2]" 2
660 1 31 LYS HB2 1 36 HIS HA . . 5.500 5.219 4.910 5.632 0.132 15 0 "[ . 1 . 2]" 2
661 1 31 LYS HA 1 36 HIS HA . . 3.380 2.756 2.544 3.184 . 0 0 "[ . 1 . 2]" 2
662 1 13 GLN HA 1 13 GLN QG . . 3.760 2.751 2.137 3.464 . 0 0 "[ . 1 . 2]" 2
663 1 31 LYS HA 1 31 LYS HG3 . . 4.080 3.537 3.487 3.659 . 0 0 "[ . 1 . 2]" 2
664 1 43 VAL HA 1 50 ASN HA . . 3.210 2.886 2.457 3.204 . 0 0 "[ . 1 . 2]" 2
665 1 50 ASN HA 1 51 LEU HA . . 4.490 4.405 4.389 4.427 . 0 0 "[ . 1 . 2]" 2
666 1 58 PHE QD 1 61 ASP HA . . 4.310 3.804 3.506 4.204 . 0 0 "[ . 1 . 2]" 2
667 1 64 TYR QD 1 69 ALA HA . . 4.150 3.828 3.322 4.059 . 0 0 "[ . 1 . 2]" 2
668 1 64 TYR HB2 1 69 ALA HA . . 3.700 2.926 2.731 3.114 . 0 0 "[ . 1 . 2]" 2
669 1 69 ALA HA 1 72 ARG HB3 . . 4.370 4.191 3.849 4.388 0.018 16 0 "[ . 1 . 2]" 2
670 1 51 LEU HA 1 51 LEU HG . . 4.010 3.217 3.134 3.279 . 0 0 "[ . 1 . 2]" 2
671 1 56 HIS HA 1 64 TYR H . . 4.850 3.831 3.595 4.127 . 0 0 "[ . 1 . 2]" 2
672 1 56 HIS HA 1 57 PHE H . . 2.910 2.346 2.218 2.482 . 0 0 "[ . 1 . 2]" 2
673 1 56 HIS HA 1 57 PHE QD . . 3.790 3.307 2.969 3.704 . 0 0 "[ . 1 . 2]" 2
674 1 56 HIS HA 1 69 ALA MB . . 5.310 4.830 4.608 5.114 . 0 0 "[ . 1 . 2]" 2
675 1 51 LEU MD2 1 56 HIS HA . . 3.990 3.312 3.080 3.590 . 0 0 "[ . 1 . 2]" 2
676 1 51 LEU MD1 1 56 HIS HA . . 3.290 2.395 2.012 2.779 . 0 0 "[ . 1 . 2]" 2
677 1 42 TYR HA 1 42 TYR QD . . 2.790 2.156 1.967 2.256 . 0 0 "[ . 1 . 2]" 2
678 1 37 ARG HD3 1 42 TYR HA . . 4.730 3.597 2.896 4.152 . 0 0 "[ . 1 . 2]" 2
679 1 35 ARG HA 1 35 ARG QG . . 3.590 2.778 2.512 2.919 . 0 0 "[ . 1 . 2]" 2
680 1 19 ASP H 1 37 ARG HA . . 4.220 2.580 2.125 3.065 . 0 0 "[ . 1 . 2]" 2
681 1 37 ARG HA 1 37 ARG HD3 . . 4.690 4.075 3.899 4.597 . 0 0 "[ . 1 . 2]" 2
682 1 18 CYS HB2 1 37 ARG HA . . 4.600 3.668 3.023 4.256 . 0 0 "[ . 1 . 2]" 2
683 1 37 ARG HA 1 37 ARG HG2 . . 3.910 2.185 2.124 2.245 . 0 0 "[ . 1 . 2]" 2
684 1 37 ARG HA 1 37 ARG HG3 . . 3.910 3.062 2.842 3.197 . 0 0 "[ . 1 . 2]" 2
685 1 25 ILE MD 1 37 ARG HA . . 3.600 2.634 2.221 3.135 . 0 0 "[ . 1 . 2]" 2
686 1 29 PHE HA 1 29 PHE QD . . 4.220 3.689 3.640 3.722 . 0 0 "[ . 1 . 2]" 2
687 1 29 PHE HA 1 39 PRO HD3 . . 3.450 1.956 1.902 2.044 . 0 0 "[ . 1 . 2]" 2
688 1 25 ILE MD 1 29 PHE HA . . 4.620 4.385 3.892 4.641 0.021 8 0 "[ . 1 . 2]" 2
689 1 29 PHE HA 1 38 HIS HA . . 4.120 3.203 2.649 3.511 . 0 0 "[ . 1 . 2]" 2
690 1 29 PHE HA 1 39 PRO HG3 . . 4.420 3.421 3.042 3.886 . 0 0 "[ . 1 . 2]" 2
691 1 31 LYS HB3 1 32 LEU HA . . 5.500 4.876 4.710 5.025 . 0 0 "[ . 1 . 2]" 2
692 1 32 LEU HA 1 35 ARG QB . . 5.500 4.933 4.402 5.147 . 0 0 "[ . 1 . 2]" 2
693 1 32 LEU HA 1 32 LEU HG . . 3.730 3.054 2.433 3.728 . 0 0 "[ . 1 . 2]" 2
694 1 17 MET HA 1 18 CYS H . . 2.760 2.169 2.142 2.232 . 0 0 "[ . 1 . 2]" 2
695 1 17 MET HA 1 24 GLY HA2 . . 3.080 2.253 1.973 2.703 . 0 0 "[ . 1 . 2]" 2
696 1 17 MET HA 1 17 MET QG . . 3.860 2.592 2.152 3.332 . 0 0 "[ . 1 . 2]" 2
697 1 17 MET HA 1 25 ILE HG13 . . 4.450 3.230 2.519 3.896 . 0 0 "[ . 1 . 2]" 2
698 1 17 MET HA 1 25 ILE MD . . 4.710 4.062 3.717 4.673 . 0 0 "[ . 1 . 2]" 2
699 1 15 LEU HA 1 16 PRO HD3 . . 2.740 2.272 2.252 2.334 . 0 0 "[ . 1 . 2]" 2
700 1 15 LEU HA 1 15 LEU HG . . 3.800 3.238 3.027 3.837 0.037 17 0 "[ . 1 . 2]" 2
701 1 15 LEU HA 1 15 LEU MD2 . . 4.070 2.413 1.966 3.634 . 0 0 "[ . 1 . 2]" 2
702 1 64 TYR H 1 69 ALA MB . . 4.240 3.976 3.655 4.230 . 0 0 "[ . 1 . 2]" 2
703 1 64 TYR QD 1 69 ALA MB . . 3.960 3.753 3.343 3.951 . 0 0 "[ . 1 . 2]" 2
704 1 69 ALA MB 1 70 ARG HA . . 4.110 3.646 3.558 3.755 . 0 0 "[ . 1 . 2]" 2
705 1 57 PHE HB3 1 69 ALA MB . . 3.120 2.457 2.234 2.683 . 0 0 "[ . 1 . 2]" 2
706 1 57 PHE HB2 1 69 ALA MB . . 2.740 1.941 1.860 2.135 . 0 0 "[ . 1 . 2]" 2
707 1 43 VAL MG2 1 44 CYS H . . 4.060 3.489 3.305 3.613 . 0 0 "[ . 1 . 2]" 2
708 1 42 TYR HA 1 43 VAL MG2 . . 5.000 4.601 4.441 4.722 . 0 0 "[ . 1 . 2]" 2
709 1 43 VAL MG2 1 50 ASN HA . . 5.420 4.702 4.423 4.947 . 0 0 "[ . 1 . 2]" 2
710 1 20 LYS QE 1 43 VAL MG2 . . 3.450 2.807 2.476 2.999 . 0 0 "[ . 1 . 2]" 2
711 1 15 LEU HA 1 16 PRO HD2 . . 2.930 2.282 2.166 2.479 . 0 0 "[ . 1 . 2]" 2
712 1 75 GLY HA2 1 76 PRO QD . . 3.090 2.259 1.873 3.005 . 0 0 "[ . 1 . 2]" 2
713 1 29 PHE HA 1 39 PRO HD2 . . 3.980 3.687 3.597 3.812 . 0 0 "[ . 1 . 2]" 2
714 1 38 HIS HA 1 39 PRO HD3 . . 3.030 2.356 2.317 2.377 . 0 0 "[ . 1 . 2]" 2
715 1 38 HIS HA 1 39 PRO HD2 . . 3.260 2.526 2.447 2.565 . 0 0 "[ . 1 . 2]" 2
716 1 38 HIS HB3 1 39 PRO HD3 . . 4.070 3.355 3.289 3.493 . 0 0 "[ . 1 . 2]" 2
717 1 38 HIS HB3 1 39 PRO HD2 . . 3.800 1.892 1.817 2.051 . 0 0 "[ . 1 . 2]" 2
718 1 25 ILE MG 1 39 PRO HD2 . . 4.480 4.036 3.258 4.460 . 0 0 "[ . 1 . 2]" 2
719 1 25 ILE HG12 1 25 ILE MG . . 3.230 2.269 2.059 2.397 . 0 0 "[ . 1 . 2]" 2
720 1 25 ILE MD 1 25 ILE MG . . 2.890 2.140 1.936 2.412 . 0 0 "[ . 1 . 2]" 2
721 1 32 LEU MD1 1 63 ILE MG . . 3.820 2.814 2.423 3.705 . 0 0 "[ . 1 . 2]" 2
722 1 63 ILE HG12 1 63 ILE MG . . 3.510 2.122 2.026 2.232 . 0 0 "[ . 1 . 2]" 2
723 1 25 ILE HG13 1 25 ILE MG . . 3.660 3.178 3.136 3.199 . 0 0 "[ . 1 . 2]" 2
724 1 56 HIS HB2 1 63 ILE MG . . 3.820 3.323 2.756 3.598 . 0 0 "[ . 1 . 2]" 2
725 1 25 ILE MG 1 29 PHE QB . . 3.040 1.751 1.681 1.817 . 0 0 "[ . 1 . 2]" 2
726 1 25 ILE HA 1 25 ILE MG . . 3.100 2.356 2.200 2.512 . 0 0 "[ . 1 . 2]" 2
727 1 25 ILE MG 1 39 PRO HD3 . . 3.920 3.475 2.779 3.961 0.041 11 0 "[ . 1 . 2]" 2
728 1 25 ILE MG 1 29 PHE HA . . 3.610 3.552 3.124 3.712 0.102 19 0 "[ . 1 . 2]" 2
729 1 56 HIS HD2 1 63 ILE MG . . 3.710 2.379 1.907 3.125 . 0 0 "[ . 1 . 2]" 2
730 1 58 PHE HZ 1 63 ILE MG . . 4.470 4.383 4.100 4.535 0.065 9 0 "[ . 1 . 2]" 2
731 1 25 ILE MG 1 29 PHE QD . . 3.720 2.193 1.881 2.850 . 0 0 "[ . 1 . 2]" 2
732 1 58 PHE QE 1 63 ILE MG . . 3.450 3.198 2.852 3.454 0.004 20 0 "[ . 1 . 2]" 2
733 1 25 ILE MG 1 38 HIS HD2 . . 3.310 2.544 2.030 2.861 . 0 0 "[ . 1 . 2]" 2
734 1 25 ILE H 1 25 ILE MG . . 3.810 3.767 3.736 3.795 . 0 0 "[ . 1 . 2]" 2
735 1 25 ILE MG 1 26 VAL H . . 3.480 2.172 1.806 3.177 . 0 0 "[ . 1 . 2]" 2
736 1 63 ILE MG 1 64 TYR H . . 3.910 3.809 3.772 3.880 . 0 0 "[ . 1 . 2]" 2
737 1 30 VAL MG1 1 42 TYR HB2 . . 4.330 3.047 1.869 3.717 . 0 0 "[ . 1 . 2]" 2
738 1 30 VAL MG1 1 42 TYR QD . . 3.810 3.187 2.729 3.617 . 0 0 "[ . 1 . 2]" 2
739 1 30 VAL MG2 1 42 TYR HB2 . . 4.330 2.440 1.955 3.403 . 0 0 "[ . 1 . 2]" 2
740 1 30 VAL MG2 1 42 TYR HB3 . . 5.020 3.200 2.610 4.852 . 0 0 "[ . 1 . 2]" 2
741 1 30 VAL HA 1 30 VAL MG2 . . 3.010 2.504 2.292 3.067 0.057 18 0 "[ . 1 . 2]" 2
742 1 30 VAL MG2 1 42 TYR QE . . 4.670 4.192 3.913 4.483 . 0 0 "[ . 1 . 2]" 2
743 1 30 VAL MG2 1 42 TYR QD . . 3.810 3.009 2.589 3.349 . 0 0 "[ . 1 . 2]" 2
744 1 30 VAL H 1 30 VAL MG2 . . 4.070 2.544 2.233 2.882 . 0 0 "[ . 1 . 2]" 2
745 1 30 VAL MG2 1 31 LYS H . . 4.420 4.054 3.094 4.283 . 0 0 "[ . 1 . 2]" 2
746 1 17 MET ME 1 24 GLY H . . 4.230 3.239 2.434 4.343 0.113 17 0 "[ . 1 . 2]" 2
747 1 17 MET H 1 17 MET ME . . 5.500 4.769 3.770 5.240 . 0 0 "[ . 1 . 2]" 2
748 1 17 MET ME 1 18 CYS H . . 5.500 4.911 4.494 5.189 . 0 0 "[ . 1 . 2]" 2
749 1 17 MET ME 1 23 THR H . . 5.070 4.409 3.924 4.875 . 0 0 "[ . 1 . 2]" 2
750 1 17 MET ME 1 24 GLY HA3 . . 4.700 4.477 3.814 4.735 0.035 5 0 "[ . 1 . 2]" 2
751 1 17 MET ME 1 24 GLY HA2 . . 4.540 4.191 3.782 4.570 0.030 20 0 "[ . 1 . 2]" 2
752 1 17 MET HA 1 17 MET ME . . 4.180 4.003 3.795 4.168 . 0 0 "[ . 1 . 2]" 2
753 1 38 HIS HB2 1 39 PRO HD3 . . 4.780 4.639 4.603 4.720 . 0 0 "[ . 1 . 2]" 2
754 1 38 HIS HB2 1 39 PRO HD2 . . 4.430 3.526 3.472 3.649 . 0 0 "[ . 1 . 2]" 2
755 1 28 VAL MG1 1 39 PRO HD2 . . 5.250 4.431 4.088 4.830 . 0 0 "[ . 1 . 2]" 2
756 1 28 VAL MG1 1 39 PRO HD3 . . 5.220 3.716 3.060 4.130 . 0 0 "[ . 1 . 2]" 2
757 1 28 VAL MG2 1 39 PRO HD3 . . 5.220 3.973 3.669 4.816 . 0 0 "[ . 1 . 2]" 2
758 1 28 VAL MG2 1 39 PRO HD2 . . 5.250 5.104 4.903 5.320 0.070 11 0 "[ . 1 . 2]" 2
759 1 38 HIS HD2 1 39 PRO HD3 . . 4.790 3.114 2.870 3.390 . 0 0 "[ . 1 . 2]" 2
760 1 38 HIS HD2 1 39 PRO HD2 . . 4.570 2.508 2.318 2.963 . 0 0 "[ . 1 . 2]" 2
761 1 30 VAL H 1 39 PRO HD2 . . 5.290 4.878 4.656 5.098 . 0 0 "[ . 1 . 2]" 2
762 1 39 PRO HD3 1 40 GLU H . . 4.830 3.936 3.869 3.994 . 0 0 "[ . 1 . 2]" 2
763 1 39 PRO HD2 1 40 GLU H . . 4.140 2.823 2.697 2.933 . 0 0 "[ . 1 . 2]" 2
764 1 29 PHE QD 1 36 HIS HD2 . . 4.190 3.594 2.939 3.970 . 0 0 "[ . 1 . 2]" 2
765 1 29 PHE QD 1 31 LYS HB2 . . 4.100 3.267 2.951 3.548 . 0 0 "[ . 1 . 2]" 2
766 1 57 PHE QD 1 69 ALA MB . . 4.790 2.727 2.391 2.959 . 0 0 "[ . 1 . 2]" 2
767 1 57 PHE QE 1 66 GLU HA . . 5.500 2.791 1.985 3.412 . 0 0 "[ . 1 . 2]" 2
768 1 57 PHE HZ 1 66 GLU QB . . 4.400 3.937 2.897 4.394 . 0 0 "[ . 1 . 2]" 2
769 1 58 PHE H 1 58 PHE QD . . 4.200 3.590 3.320 3.785 . 0 0 "[ . 1 . 2]" 2
770 1 56 HIS HD2 1 58 PHE QD . . 4.850 4.166 3.687 4.345 . 0 0 "[ . 1 . 2]" 2
771 1 58 PHE QD 1 63 ILE MG . . 4.460 3.386 2.971 3.601 . 0 0 "[ . 1 . 2]" 2
772 1 33 ARG QG 1 58 PHE HZ . . 4.990 4.396 2.116 4.996 0.006 13 0 "[ . 1 . 2]" 2
773 1 32 LEU HB2 1 58 PHE HZ . . 4.840 4.311 3.469 4.801 . 0 0 "[ . 1 . 2]" 2
774 1 32 LEU HB3 1 58 PHE HZ . . 4.840 2.819 1.934 3.290 . 0 0 "[ . 1 . 2]" 2
775 1 37 ARG HB3 1 42 TYR QD . . 5.080 4.255 3.614 4.613 . 0 0 "[ . 1 . 2]" 2
776 1 30 VAL HB 1 42 TYR QD . . 5.000 4.160 3.648 4.612 . 0 0 "[ . 1 . 2]" 2
777 1 42 TYR QD 1 51 LEU HB3 . . 5.060 4.776 4.662 5.005 . 0 0 "[ . 1 . 2]" 2
778 1 42 TYR QE 1 56 HIS HA . . 4.890 4.656 4.411 4.902 0.012 19 0 "[ . 1 . 2]" 2
779 1 42 TYR QE 1 56 HIS HB3 . . 3.560 2.256 1.962 2.696 . 0 0 "[ . 1 . 2]" 2
780 1 42 TYR QE 1 56 HIS HB2 . . 4.000 3.075 2.752 3.546 . 0 0 "[ . 1 . 2]" 2
781 1 42 TYR QE 1 51 LEU HB2 . . 4.750 2.986 2.678 3.291 . 0 0 "[ . 1 . 2]" 2
782 1 30 VAL MG1 1 42 TYR QE . . 4.670 3.654 2.899 4.697 0.027 19 0 "[ . 1 . 2]" 2
783 1 42 TYR QE 1 51 LEU HB3 . . 4.750 3.684 3.443 3.825 . 0 0 "[ . 1 . 2]" 2
784 1 58 PHE HA 1 64 TYR QD . . 4.830 4.767 4.323 4.885 0.055 16 0 "[ . 1 . 2]" 2
785 1 64 TYR QD 1 68 HIS HB2 . . 4.110 4.079 3.814 4.133 0.023 2 0 "[ . 1 . 2]" 2
786 1 46 ASP HB2 1 64 TYR QD . . 3.970 2.474 2.003 2.881 . 0 0 "[ . 1 . 2]" 2
787 1 63 ILE MG 1 64 TYR QD . . 5.220 5.121 4.915 5.203 . 0 0 "[ . 1 . 2]" 2
788 1 64 TYR QE 1 72 ARG HE . . 4.580 2.903 2.103 4.055 . 0 0 "[ . 1 . 2]" 2
789 1 62 GLN QG 1 64 TYR QE . . 4.460 3.759 3.479 4.002 . 0 0 "[ . 1 . 2]" 2
790 1 59 VAL HB 1 64 TYR QE . . 3.160 2.345 1.985 3.811 0.651 16 1 "[ . 1 .+ 2]" 2
791 1 62 GLN QB 1 64 TYR QE . . 3.330 2.039 1.937 2.641 . 0 0 "[ . 1 . 2]" 2
792 1 56 HIS HD2 1 58 PHE QE . . 4.780 4.315 3.322 4.612 . 0 0 "[ . 1 . 2]" 2
793 1 68 HIS HD2 1 71 GLU QB . . 4.630 3.596 3.372 4.033 . 0 0 "[ . 1 . 2]" 2
794 1 67 LYS HG2 1 68 HIS HD2 . . 5.200 4.398 3.746 5.203 0.003 8 0 "[ . 1 . 2]" 2
795 1 25 ILE HG12 1 38 HIS HD2 . . 4.820 3.156 2.254 3.811 . 0 0 "[ . 1 . 2]" 2
796 1 16 PRO HA 1 17 MET QG . . 4.660 4.377 3.958 4.716 0.056 2 0 "[ . 1 . 2]" 2
797 1 16 PRO HB3 1 25 ILE HB . . 5.050 4.910 4.735 5.079 0.029 8 0 "[ . 1 . 2]" 2
798 1 18 CYS HB3 1 19 ASP H . . 5.090 3.857 3.474 4.223 . 0 0 "[ . 1 . 2]" 2
799 1 18 CYS HB3 1 37 ARG HA . . 5.280 4.603 4.227 4.919 . 0 0 "[ . 1 . 2]" 2
800 1 17 MET HA 1 18 CYS HB3 . . 4.980 4.653 4.414 4.904 . 0 0 "[ . 1 . 2]" 2
801 1 18 CYS HB3 1 25 ILE HG13 . . 4.550 4.193 3.893 4.475 . 0 0 "[ . 1 . 2]" 2
802 1 19 ASP HB2 1 20 LYS H . . 5.040 3.652 2.891 4.112 . 0 0 "[ . 1 . 2]" 2
803 1 22 GLY HA3 1 23 THR MG . . 5.120 3.939 3.676 4.597 . 0 0 "[ . 1 . 2]" 2
804 1 23 THR HA 1 23 THR MG . . 3.160 2.265 2.105 2.415 . 0 0 "[ . 1 . 2]" 2
805 1 23 THR HB 1 24 GLY HA3 . . 4.980 4.622 3.996 4.783 . 0 0 "[ . 1 . 2]" 2
806 1 17 MET H 1 24 GLY HA3 . . 5.500 5.339 4.899 5.695 0.195 17 0 "[ . 1 . 2]" 2
807 1 18 CYS H 1 24 GLY HA3 . . 5.500 5.249 5.000 5.518 0.018 13 0 "[ . 1 . 2]" 2
808 1 24 GLY HA2 1 25 ILE HG13 . . 4.680 3.853 3.481 4.348 . 0 0 "[ . 1 . 2]" 2
809 1 25 ILE HB 1 29 PHE QB . . 4.940 3.699 2.707 4.089 . 0 0 "[ . 1 . 2]" 2
810 1 28 VAL HA 1 29 PHE HA . . 4.940 4.466 4.433 4.497 . 0 0 "[ . 1 . 2]" 2
811 1 29 PHE QD 1 31 LYS HB3 . . 4.860 4.699 4.402 4.960 0.100 17 0 "[ . 1 . 2]" 2
812 1 32 LEU HB3 1 63 ILE MG . . 5.500 4.837 4.220 5.116 . 0 0 "[ . 1 . 2]" 2
813 1 37 ARG HB2 1 42 TYR HB2 . . 4.900 4.159 3.699 4.734 . 0 0 "[ . 1 . 2]" 2
814 1 37 ARG HB3 1 42 TYR HB2 . . 5.010 3.658 3.381 3.938 . 0 0 "[ . 1 . 2]" 2
815 1 41 CYS HA 1 43 VAL H . . 4.600 3.154 3.014 3.375 . 0 0 "[ . 1 . 2]" 2
816 1 44 CYS HB3 1 51 LEU MD1 . . 5.030 4.081 3.838 4.309 . 0 0 "[ . 1 . 2]" 2
817 1 43 VAL MG2 1 45 THR HA . . 4.650 4.240 3.990 4.372 . 0 0 "[ . 1 . 2]" 2
818 1 45 THR HA 1 63 ILE MD . . 5.240 4.780 4.310 5.252 0.012 5 0 "[ . 1 . 2]" 2
819 1 46 ASP HB3 1 68 HIS HB2 . . 4.680 4.043 3.641 4.438 . 0 0 "[ . 1 . 2]" 2
820 1 47 CYS HB3 1 49 THR H . . 5.500 5.412 5.178 5.524 0.024 6 0 "[ . 1 . 2]" 2
821 1 47 CYS HB3 1 48 GLY H . . 4.910 3.784 3.733 3.843 . 0 0 "[ . 1 . 2]" 2
822 1 49 THR HB 1 51 LEU MD2 . . 4.640 4.562 4.395 4.650 0.010 15 0 "[ . 1 . 2]" 2
823 1 49 THR HB 1 65 CYS HB3 . . 5.380 5.150 4.764 5.390 0.010 2 0 "[ . 1 . 2]" 2
824 1 44 CYS HB2 1 49 THR HB . . 5.180 4.949 4.699 5.153 . 0 0 "[ . 1 . 2]" 2
825 1 44 CYS HB3 1 49 THR HB . . 4.640 4.400 4.247 4.509 . 0 0 "[ . 1 . 2]" 2
826 1 49 THR MG 1 50 ASN QB . . 5.280 4.547 4.303 4.947 . 0 0 "[ . 1 . 2]" 2
827 1 42 TYR QD 1 51 LEU HB2 . . 5.060 3.451 3.261 3.653 . 0 0 "[ . 1 . 2]" 2
828 1 53 GLN HB2 1 54 LYS H . . 4.860 2.385 2.145 2.705 . 0 0 "[ . 1 . 2]" 2
829 1 53 GLN HB2 1 54 LYS HG2 . . 5.500 4.555 4.234 4.879 . 0 0 "[ . 1 . 2]" 2
830 1 53 GLN HB3 1 54 LYS HG2 . . 5.500 5.229 4.739 5.518 0.018 1 0 "[ . 1 . 2]" 2
831 1 53 GLN HB2 1 54 LYS HG3 . . 5.500 3.609 3.324 4.035 . 0 0 "[ . 1 . 2]" 2
832 1 53 GLN HB3 1 54 LYS HG3 . . 5.500 4.756 3.928 5.276 . 0 0 "[ . 1 . 2]" 2
833 1 51 LEU MD2 1 54 LYS HB3 . . 5.110 3.583 3.216 4.036 . 0 0 "[ . 1 . 2]" 2
834 1 51 LEU MD2 1 54 LYS HB2 . . 5.110 2.839 2.565 3.193 . 0 0 "[ . 1 . 2]" 2
835 1 56 HIS HA 1 63 ILE MG . . 5.500 5.117 4.612 5.467 . 0 0 "[ . 1 . 2]" 2
836 1 58 PHE HA 1 59 VAL HA . . 4.720 4.384 4.377 4.390 . 0 0 "[ . 1 . 2]" 2
837 1 59 VAL HA 1 64 TYR QE . . 5.080 4.727 4.221 5.031 . 0 0 "[ . 1 . 2]" 2
838 1 58 PHE HB3 1 59 VAL HA . . 4.770 4.308 4.253 4.389 . 0 0 "[ . 1 . 2]" 2
839 1 54 LYS HD2 1 65 CYS HB3 . . 5.500 4.702 3.965 5.538 0.038 7 0 "[ . 1 . 2]" 2
840 1 54 LYS HD3 1 65 CYS HB3 . . 5.500 4.730 3.884 5.530 0.030 18 0 "[ . 1 . 2]" 2
841 1 65 CYS HB3 1 66 GLU QB . . 5.500 5.400 5.280 5.498 . 0 0 "[ . 1 . 2]" 2
842 1 66 GLU QB 1 67 LYS H . . 3.660 2.570 2.467 2.695 . 0 0 "[ . 1 . 2]" 2
843 1 67 LYS HA 1 71 GLU H . . 5.260 4.971 4.729 5.225 . 0 0 "[ . 1 . 2]" 2
844 1 67 LYS HG2 1 68 HIS HA . . 4.600 3.524 3.225 4.580 . 0 0 "[ . 1 . 2]" 2
845 1 68 HIS HA 1 70 ARG H . . 4.900 4.612 4.108 4.878 . 0 0 "[ . 1 . 2]" 2
846 1 69 ALA MB 1 70 ARG QB . . 4.210 3.995 3.621 4.155 . 0 0 "[ . 1 . 2]" 2
847 1 57 PHE H 1 69 ALA MB . . 4.360 3.790 3.630 4.065 . 0 0 "[ . 1 . 2]" 2
848 1 68 HIS H 1 69 ALA MB . . 4.630 4.199 3.951 4.363 . 0 0 "[ . 1 . 2]" 2
849 1 58 PHE H 1 69 ALA MB . . 4.840 4.615 4.348 4.855 0.015 9 0 "[ . 1 . 2]" 2
850 1 32 LEU MD1 1 58 PHE QE . . 4.770 3.579 3.033 4.291 . 0 0 "[ . 1 . 2]" 2
851 1 32 LEU MD1 1 58 PHE HZ . . 4.530 3.610 2.599 4.240 . 0 0 "[ . 1 . 2]" 2
852 1 32 LEU MD1 1 42 TYR QD . . 4.080 3.658 2.949 4.048 . 0 0 "[ . 1 . 2]" 2
853 1 32 LEU MD1 1 42 TYR QE . . 4.340 3.789 2.707 4.344 0.004 4 0 "[ . 1 . 2]" 2
854 1 32 LEU HA 1 32 LEU MD1 . . 4.060 3.523 1.888 3.931 . 0 0 "[ . 1 . 2]" 2
855 1 32 LEU MD2 1 63 ILE MG . . 3.820 3.163 2.079 3.672 . 0 0 "[ . 1 . 2]" 2
856 1 32 LEU HA 1 32 LEU MD2 . . 4.060 2.330 1.974 3.764 . 0 0 "[ . 1 . 2]" 2
857 1 32 LEU MD2 1 42 TYR QE . . 4.340 2.917 2.115 4.169 . 0 0 "[ . 1 . 2]" 2
858 1 32 LEU MD2 1 42 TYR QD . . 4.080 3.277 2.653 3.866 . 0 0 "[ . 1 . 2]" 2
859 1 32 LEU MD2 1 58 PHE HZ . . 4.530 3.600 2.837 4.595 0.065 7 0 "[ . 1 . 2]" 2
860 1 32 LEU MD2 1 58 PHE QE . . 4.770 3.995 1.893 4.811 0.041 5 0 "[ . 1 . 2]" 2
861 1 47 CYS HB3 1 68 HIS HE1 . . 2.910 2.300 2.067 2.468 . 0 0 "[ . 1 . 2]" 2
862 1 32 LEU MD2 1 56 HIS HE1 . . 5.120 2.696 1.962 4.876 . 0 0 "[ . 1 . 2]" 2
863 1 32 LEU MD1 1 56 HIS HE1 . . 5.120 4.001 2.249 4.783 . 0 0 "[ . 1 . 2]" 2
864 1 42 TYR QE 1 56 HIS HE1 . . 5.370 3.948 3.539 4.337 . 0 0 "[ . 1 . 2]" 2
865 1 56 HIS H 1 56 HIS HE1 . . 5.250 4.908 4.406 5.252 0.002 12 0 "[ . 1 . 2]" 2
866 1 18 CYS HB3 1 38 HIS HE1 . . 4.250 3.136 2.593 3.596 . 0 0 "[ . 1 . 2]" 2
867 1 16 PRO HB2 1 36 HIS HE1 . . 5.500 5.309 4.949 5.523 0.023 7 0 "[ . 1 . 2]" 2
868 1 16 PRO HB3 1 36 HIS HE1 . . 4.960 4.527 3.913 4.939 . 0 0 "[ . 1 . 2]" 2
869 1 31 LYS QD 1 36 HIS HE1 . . 5.370 5.083 4.611 5.370 . 0 0 "[ . 1 . 2]" 2
870 1 20 LYS QE 1 20 LYS QG . . 3.120 2.227 2.110 2.359 . 0 0 "[ . 1 . 2]" 2
871 1 20 LYS HA 1 20 LYS QE . . 4.930 4.536 3.695 4.910 . 0 0 "[ . 1 . 2]" 2
872 1 9 ILE MG 1 10 GLY QA . . 5.170 4.132 2.905 5.107 . 0 0 "[ . 1 . 2]" 2
873 1 14 LYS HA 1 14 LYS QD . . 4.470 3.568 2.024 4.423 . 0 0 "[ . 1 . 2]" 2
874 1 14 LYS HA 1 15 LEU HG . . 5.020 4.367 3.404 5.323 0.303 8 0 "[ . 1 . 2]" 2
875 1 15 LEU HB2 1 15 LEU MD1 . . 3.600 2.338 2.052 3.155 . 0 0 "[ . 1 . 2]" 2
876 1 15 LEU MD1 1 26 VAL HA . . 3.730 3.310 2.213 3.615 . 0 0 "[ . 1 . 2]" 2
877 1 15 LEU HA 1 15 LEU MD1 . . 4.070 3.654 2.117 3.969 . 0 0 "[ . 1 . 2]" 2
878 1 15 LEU HB3 1 15 LEU MD2 . . 3.600 2.419 2.117 3.137 . 0 0 "[ . 1 . 2]" 2
879 1 16 PRO HB3 1 36 HIS HB3 . . 4.700 3.833 3.239 4.694 . 0 0 "[ . 1 . 2]" 2
880 1 15 LEU HA 1 16 PRO HG2 . . 4.640 4.417 4.325 4.577 . 0 0 "[ . 1 . 2]" 2
881 1 16 PRO HG2 1 36 HIS HD2 . . 5.080 4.494 3.693 4.998 . 0 0 "[ . 1 . 2]" 2
882 1 16 PRO HG2 1 29 PHE QD . . 4.680 4.086 3.385 4.560 . 0 0 "[ . 1 . 2]" 2
883 1 16 PRO HG2 1 29 PHE QE . . 5.400 4.157 3.699 4.954 . 0 0 "[ . 1 . 2]" 2
884 1 15 LEU HA 1 16 PRO HG3 . . 4.640 4.411 4.355 4.522 . 0 0 "[ . 1 . 2]" 2
885 1 16 PRO HG3 1 36 HIS HD2 . . 5.080 3.625 2.740 4.523 . 0 0 "[ . 1 . 2]" 2
886 1 16 PRO HG3 1 29 PHE QD . . 4.680 4.313 3.142 4.902 0.222 17 0 "[ . 1 . 2]" 2
887 1 16 PRO HG3 1 29 PHE QE . . 5.400 3.574 2.720 4.506 . 0 0 "[ . 1 . 2]" 2
888 1 16 PRO HD3 1 25 ILE H . . 5.500 5.200 4.424 5.513 0.013 1 0 "[ . 1 . 2]" 2
889 1 16 PRO HD3 1 25 ILE MD . . 5.250 5.080 4.553 5.303 0.053 4 0 "[ . 1 . 2]" 2
890 1 16 PRO HD2 1 25 ILE MD . . 5.170 4.357 3.854 4.590 . 0 0 "[ . 1 . 2]" 2
891 1 16 PRO HD3 1 25 ILE MG . . 5.350 5.250 4.432 5.456 0.106 18 0 "[ . 1 . 2]" 2
892 1 16 PRO HD2 1 25 ILE MG . . 5.180 4.050 3.168 4.320 . 0 0 "[ . 1 . 2]" 2
893 1 18 CYS HB2 1 19 ASP H . . 5.210 3.952 3.721 4.335 . 0 0 "[ . 1 . 2]" 2
894 1 20 LYS QG 1 43 VAL MG2 . . 4.950 4.289 2.944 4.996 0.046 17 0 "[ . 1 . 2]" 2
895 1 20 LYS HA 1 20 LYS HD2 . . 4.460 3.496 2.600 4.447 . 0 0 "[ . 1 . 2]" 2
896 1 37 ARG HA 1 41 CYS HB3 . . 5.500 5.370 5.045 5.551 0.051 9 0 "[ . 1 . 2]" 2
897 1 23 THR MG 1 24 GLY H . . 3.950 3.827 3.677 3.968 0.018 7 0 "[ . 1 . 2]" 2
898 1 23 THR H 1 23 THR MG . . 3.740 3.154 2.886 3.443 . 0 0 "[ . 1 . 2]" 2
899 1 23 THR MG 1 38 HIS HE1 . . 4.580 4.235 3.906 4.672 0.092 11 0 "[ . 1 . 2]" 2
900 1 22 GLY HA2 1 23 THR MG . . 5.120 4.350 4.056 4.828 . 0 0 "[ . 1 . 2]" 2
901 1 18 CYS HB2 1 25 ILE HG13 . . 3.880 2.946 2.611 3.238 . 0 0 "[ . 1 . 2]" 2
902 1 18 CYS HB3 1 25 ILE HG12 . . 4.830 4.388 3.923 4.847 0.017 19 0 "[ . 1 . 2]" 2
903 1 16 PRO HB2 1 25 ILE MD . . 3.800 2.677 2.421 2.919 . 0 0 "[ . 1 . 2]" 2
904 1 25 ILE HB 1 25 ILE MD . . 3.200 2.304 2.105 2.459 . 0 0 "[ . 1 . 2]" 2
905 1 25 ILE MD 1 36 HIS HB3 . . 3.300 2.598 2.066 2.903 . 0 0 "[ . 1 . 2]" 2
906 1 25 ILE MD 1 36 HIS HB2 . . 3.650 3.137 2.696 3.548 . 0 0 "[ . 1 . 2]" 2
907 1 25 ILE MD 1 29 PHE QB . . 3.630 2.384 1.972 2.555 . 0 0 "[ . 1 . 2]" 2
908 1 25 ILE MD 1 38 HIS HA . . 4.370 3.046 2.559 3.508 . 0 0 "[ . 1 . 2]" 2
909 1 25 ILE MD 1 29 PHE QD . . 4.600 3.522 2.549 3.859 . 0 0 "[ . 1 . 2]" 2
910 1 18 CYS H 1 25 ILE MD . . 4.250 3.370 2.912 3.934 . 0 0 "[ . 1 . 2]" 2
911 1 19 ASP H 1 25 ILE MD . . 4.450 3.948 3.541 4.483 0.033 18 0 "[ . 1 . 2]" 2
912 1 70 ARG HA 1 73 VAL MG1 . . 4.750 2.929 1.861 4.758 0.008 15 0 "[ . 1 . 2]" 2
913 1 26 VAL HA 1 26 VAL MG1 . . 3.290 3.157 2.447 3.203 . 0 0 "[ . 1 . 2]" 2
914 1 73 VAL HA 1 73 VAL MG1 . . 3.280 2.767 2.152 3.203 . 0 0 "[ . 1 . 2]" 2
915 1 73 VAL H 1 73 VAL MG1 . . 3.900 2.742 1.757 3.786 . 0 0 "[ . 1 . 2]" 2
916 1 26 VAL MG1 1 27 GLY H . . 4.400 3.971 2.736 4.173 . 0 0 "[ . 1 . 2]" 2
917 1 26 VAL H 1 26 VAL MG2 . . 4.120 3.850 2.974 3.985 . 0 0 "[ . 1 . 2]" 2
918 1 28 VAL H 1 28 VAL MG1 . . 3.810 2.060 1.834 3.747 . 0 0 "[ . 1 . 2]" 2
919 1 28 VAL MG1 1 39 PRO HG2 . . 4.400 3.672 3.333 4.142 . 0 0 "[ . 1 . 2]" 2
920 1 28 VAL MG1 1 39 PRO HG3 . . 3.950 2.286 1.927 2.801 . 0 0 "[ . 1 . 2]" 2
921 1 28 VAL MG2 1 29 PHE H . . 4.000 2.209 1.877 4.015 0.015 11 0 "[ . 1 . 2]" 2
922 1 28 VAL H 1 28 VAL MG2 . . 3.810 3.666 1.811 3.771 . 0 0 "[ . 1 . 2]" 2
923 1 28 VAL MG2 1 39 PRO HG3 . . 3.950 3.048 2.880 3.394 . 0 0 "[ . 1 . 2]" 2
924 1 26 VAL H 1 29 PHE QB . . 5.500 4.569 3.903 5.474 . 0 0 "[ . 1 . 2]" 2
925 1 29 PHE QE 1 36 HIS HD2 . . 5.270 2.548 1.995 3.570 . 0 0 "[ . 1 . 2]" 2
926 1 29 PHE HA 1 30 VAL HA . . 4.970 4.360 4.322 4.426 . 0 0 "[ . 1 . 2]" 2
927 1 31 LYS H 1 31 LYS HG2 . . 5.100 4.396 4.283 4.546 . 0 0 "[ . 1 . 2]" 2
928 1 29 PHE QE 1 31 LYS HG2 . . 5.010 3.147 2.192 3.780 . 0 0 "[ . 1 . 2]" 2
929 1 29 PHE QE 1 31 LYS HG3 . . 5.010 3.077 2.721 3.393 . 0 0 "[ . 1 . 2]" 2
930 1 29 PHE QD 1 31 LYS HG3 . . 5.170 5.007 4.752 5.196 0.026 17 0 "[ . 1 . 2]" 2
931 1 29 PHE QD 1 31 LYS HG2 . . 5.170 4.524 3.975 4.846 . 0 0 "[ . 1 . 2]" 2
932 1 31 LYS HG2 1 36 HIS HD2 . . 5.250 2.260 1.993 3.243 . 0 0 "[ . 1 . 2]" 2
933 1 31 LYS HG3 1 36 HIS HD2 . . 5.250 3.320 2.956 4.910 . 0 0 "[ . 1 . 2]" 2
934 1 31 LYS HA 1 31 LYS HG2 . . 4.080 2.294 2.239 2.475 . 0 0 "[ . 1 . 2]" 2
935 1 31 LYS H 1 31 LYS QD . . 5.200 4.324 4.252 4.396 . 0 0 "[ . 1 . 2]" 2
936 1 29 PHE QE 1 31 LYS QD . . 4.810 4.567 4.032 4.826 0.016 17 0 "[ . 1 . 2]" 2
937 1 31 LYS QD 1 36 HIS HD2 . . 4.930 4.323 4.067 4.589 . 0 0 "[ . 1 . 2]" 2
938 1 31 LYS HA 1 31 LYS QD . . 4.150 3.194 2.437 3.437 . 0 0 "[ . 1 . 2]" 2
939 1 31 LYS QD 1 32 LEU HA . . 4.670 3.726 3.361 3.894 . 0 0 "[ . 1 . 2]" 2
940 1 31 LYS HB3 1 31 LYS QD . . 3.770 2.268 2.214 2.451 . 0 0 "[ . 1 . 2]" 2
941 1 32 LEU HA 1 58 PHE HZ . . 5.330 4.754 3.366 5.312 . 0 0 "[ . 1 . 2]" 2
942 1 32 LEU HB2 1 58 PHE QE . . 5.340 4.973 3.749 5.358 0.018 10 0 "[ . 1 . 2]" 2
943 1 32 LEU HB2 1 35 ARG QG . . 4.750 4.095 3.704 4.361 . 0 0 "[ . 1 . 2]" 2
944 1 32 LEU MD2 1 37 ARG H . . 5.500 4.618 2.520 5.517 0.017 10 0 "[ . 1 . 2]" 2
945 1 33 ARG QG 1 58 PHE QE . . 4.560 3.511 2.330 4.198 . 0 0 "[ . 1 . 2]" 2
946 1 33 ARG HD3 1 34 ASP H . . 5.080 4.308 2.682 5.001 . 0 0 "[ . 1 . 2]" 2
947 1 33 ARG HD2 1 34 ASP H . . 5.080 4.524 3.420 4.890 . 0 0 "[ . 1 . 2]" 2
948 1 33 ARG HD2 1 58 PHE QE . . 4.970 2.879 1.988 4.674 . 0 0 "[ . 1 . 2]" 2
949 1 33 ARG HD2 1 58 PHE HZ . . 5.320 4.008 2.699 5.200 . 0 0 "[ . 1 . 2]" 2
950 1 33 ARG HD3 1 58 PHE HZ . . 5.320 4.410 2.935 5.242 . 0 0 "[ . 1 . 2]" 2
951 1 33 ARG HD3 1 58 PHE QE . . 4.970 3.355 1.987 4.987 0.017 4 0 "[ . 1 . 2]" 2
952 1 33 ARG HB2 1 33 ARG HD2 . . 3.760 2.660 2.148 3.673 . 0 0 "[ . 1 . 2]" 2
953 1 33 ARG HB3 1 33 ARG HD2 . . 3.760 3.195 2.495 3.687 . 0 0 "[ . 1 . 2]" 2
954 1 33 ARG HB3 1 33 ARG HD3 . . 3.760 2.840 2.177 3.667 . 0 0 "[ . 1 . 2]" 2
955 1 33 ARG HB2 1 33 ARG HD3 . . 3.760 2.944 2.451 3.738 . 0 0 "[ . 1 . 2]" 2
956 1 34 ASP H 1 35 ARG QG . . 4.390 3.616 3.278 4.630 0.240 15 0 "[ . 1 . 2]" 2
957 1 35 ARG HD2 1 36 HIS H . . 5.140 3.810 3.395 4.922 . 0 0 "[ . 1 . 2]" 2
958 1 35 ARG HD3 1 36 HIS H . . 5.140 4.013 3.126 5.141 0.001 6 0 "[ . 1 . 2]" 2
959 1 35 ARG HA 1 35 ARG HD2 . . 4.130 3.007 1.991 3.781 . 0 0 "[ . 1 . 2]" 2
960 1 35 ARG HA 1 35 ARG HD3 . . 4.130 2.643 1.999 3.679 . 0 0 "[ . 1 . 2]" 2
961 1 35 ARG QB 1 35 ARG HD2 . . 3.710 2.566 2.083 3.306 . 0 0 "[ . 1 . 2]" 2
962 1 35 ARG QB 1 35 ARG HD3 . . 3.710 2.915 2.258 3.475 . 0 0 "[ . 1 . 2]" 2
963 1 32 LEU HG 1 36 HIS HA . . 4.920 3.772 2.912 5.111 0.191 9 0 "[ . 1 . 2]" 2
964 1 25 ILE MD 1 36 HIS HA . . 4.890 4.154 3.745 4.452 . 0 0 "[ . 1 . 2]" 2
965 1 37 ARG HG3 1 38 HIS H . . 5.010 4.593 4.199 4.903 . 0 0 "[ . 1 . 2]" 2
966 1 37 ARG HG2 1 38 HIS H . . 5.010 3.354 2.763 3.694 . 0 0 "[ . 1 . 2]" 2
967 1 37 ARG HG2 1 42 TYR HA . . 5.500 5.176 4.830 5.473 . 0 0 "[ . 1 . 2]" 2
968 1 37 ARG HG3 1 42 TYR HA . . 5.500 5.024 4.761 5.217 . 0 0 "[ . 1 . 2]" 2
969 1 37 ARG HA 1 37 ARG HD2 . . 4.690 4.373 3.967 4.538 . 0 0 "[ . 1 . 2]" 2
970 1 37 ARG HD2 1 42 TYR HA . . 4.730 2.717 2.260 3.017 . 0 0 "[ . 1 . 2]" 2
971 1 37 ARG HD3 1 41 CYS HB3 . . 4.740 3.201 2.598 4.548 . 0 0 "[ . 1 . 2]" 2
972 1 37 ARG HD2 1 41 CYS HB3 . . 4.740 4.280 3.085 4.754 0.014 4 0 "[ . 1 . 2]" 2
973 1 37 ARG HD2 1 41 CYS HB2 . . 4.700 4.166 3.022 4.528 . 0 0 "[ . 1 . 2]" 2
974 1 37 ARG HD3 1 41 CYS HB2 . . 4.700 3.411 2.746 4.571 . 0 0 "[ . 1 . 2]" 2
975 1 37 ARG HD3 1 63 ILE MD . . 4.860 3.140 2.274 3.702 . 0 0 "[ . 1 . 2]" 2
976 1 38 HIS HB3 1 40 GLU HG3 . . 5.200 3.559 2.949 4.306 . 0 0 "[ . 1 . 2]" 2
977 1 30 VAL HB 1 39 PRO HA . . 4.690 4.122 3.708 4.717 0.027 18 0 "[ . 1 . 2]" 2
978 1 28 VAL MG2 1 39 PRO HG2 . . 4.400 4.397 4.209 4.492 0.092 11 0 "[ . 1 . 2]" 2
979 1 38 HIS HA 1 39 PRO HG2 . . 4.880 4.616 4.550 4.649 . 0 0 "[ . 1 . 2]" 2
980 1 29 PHE HA 1 39 PRO HG2 . . 5.060 4.546 4.185 4.891 . 0 0 "[ . 1 . 2]" 2
981 1 38 HIS HB3 1 40 GLU HG2 . . 5.200 2.733 2.293 5.038 . 0 0 "[ . 1 . 2]" 2
982 1 60 GLU HA 1 60 GLU HG3 . . 3.860 3.342 2.873 3.820 . 0 0 "[ . 1 . 2]" 2
983 1 60 GLU HA 1 60 GLU HG2 . . 3.860 2.687 2.324 3.151 . 0 0 "[ . 1 . 2]" 2
984 1 60 GLU H 1 60 GLU HG3 . . 4.900 3.408 2.659 4.405 . 0 0 "[ . 1 . 2]" 2
985 1 60 GLU H 1 60 GLU HG2 . . 4.900 3.202 2.718 3.774 . 0 0 "[ . 1 . 2]" 2
986 1 42 TYR QE 1 51 LEU HG . . 5.500 4.958 4.727 5.306 . 0 0 "[ . 1 . 2]" 2
987 1 42 TYR QE 1 63 ILE HB . . 5.500 4.090 3.593 4.542 . 0 0 "[ . 1 . 2]" 2
988 1 42 TYR QE 1 51 LEU H . . 5.080 4.233 3.882 4.744 . 0 0 "[ . 1 . 2]" 2
989 1 20 LYS QE 1 43 VAL HB . . 5.500 5.389 5.036 5.551 0.051 6 0 "[ . 1 . 2]" 2
990 1 43 VAL HB 1 44 CYS HB2 . . 5.500 4.887 4.729 5.105 . 0 0 "[ . 1 . 2]" 2
991 1 43 VAL MG1 1 44 CYS H . . 3.830 3.748 3.652 3.869 0.039 13 0 "[ . 1 . 2]" 2
992 1 43 VAL MG1 1 51 LEU H . . 3.630 3.387 2.917 3.644 0.014 20 0 "[ . 1 . 2]" 2
993 1 43 VAL MG1 1 50 ASN HD21 . . 4.530 2.786 2.248 3.380 . 0 0 "[ . 1 . 2]" 2
994 1 43 VAL H 1 43 VAL MG1 . . 3.500 2.239 1.865 2.595 . 0 0 "[ . 1 . 2]" 2
995 1 43 VAL HA 1 43 VAL MG1 . . 2.940 2.356 2.238 2.452 . 0 0 "[ . 1 . 2]" 2
996 1 43 VAL MG1 1 50 ASN HA . . 2.860 2.132 1.918 2.539 . 0 0 "[ . 1 . 2]" 2
997 1 51 LEU HA 1 51 LEU MD2 . . 2.960 2.150 1.979 2.330 . 0 0 "[ . 1 . 2]" 2
998 1 44 CYS HB2 1 51 LEU MD2 . . 3.360 2.214 1.980 2.652 . 0 0 "[ . 1 . 2]" 2
999 1 51 LEU MD2 1 66 GLU H . . 4.230 3.597 3.327 3.800 . 0 0 "[ . 1 . 2]" 2
1000 1 51 LEU MD2 1 65 CYS HB3 . . 3.180 1.873 1.816 1.942 . 0 0 "[ . 1 . 2]" 2
1001 1 45 THR HA 1 64 TYR QE . . 5.100 4.941 4.725 5.140 0.040 16 0 "[ . 1 . 2]" 2
1002 1 45 THR MG 1 64 TYR QE . . 3.570 2.898 2.579 3.239 . 0 0 "[ . 1 . 2]" 2
1003 1 45 THR MG 1 64 TYR QD . . 4.560 4.244 3.894 4.443 . 0 0 "[ . 1 . 2]" 2
1004 1 45 THR MG 1 63 ILE H . . 5.210 4.443 4.171 4.823 . 0 0 "[ . 1 . 2]" 2
1005 1 45 THR MG 1 46 ASP H . . 4.320 3.652 3.483 3.870 . 0 0 "[ . 1 . 2]" 2
1006 1 45 THR MG 1 62 GLN QG . . 4.140 3.888 3.214 4.151 0.011 13 0 "[ . 1 . 2]" 2
1007 1 45 THR MG 1 62 GLN QB . . 3.970 3.796 3.144 3.989 0.019 20 0 "[ . 1 . 2]" 2
1008 1 44 CYS H 1 49 THR HB . . 5.500 4.891 4.676 4.990 . 0 0 "[ . 1 . 2]" 2
1009 1 48 GLY H 1 49 THR HB . . 5.500 4.084 3.989 4.159 . 0 0 "[ . 1 . 2]" 2
1010 1 49 THR MG 1 50 ASN H . . 4.270 3.598 3.398 3.915 . 0 0 "[ . 1 . 2]" 2
1011 1 49 THR MG 1 65 CYS HA . . 4.600 4.352 4.054 4.558 . 0 0 "[ . 1 . 2]" 2
1012 1 49 THR MG 1 51 LEU HA . . 4.410 3.807 3.595 4.177 . 0 0 "[ . 1 . 2]" 2
1013 1 44 CYS HB3 1 49 THR MG . . 3.610 2.799 2.478 3.008 . 0 0 "[ . 1 . 2]" 2
1014 1 44 CYS HB2 1 49 THR MG . . 3.490 2.572 2.236 2.824 . 0 0 "[ . 1 . 2]" 2
1015 1 49 THR MG 1 65 CYS HB3 . . 3.420 2.548 2.284 2.752 . 0 0 "[ . 1 . 2]" 2
1016 1 49 THR MG 1 51 LEU MD2 . . 3.090 2.014 1.884 2.159 . 0 0 "[ . 1 . 2]" 2
1017 1 42 TYR QD 1 51 LEU MD1 . . 3.960 3.656 3.339 3.930 . 0 0 "[ . 1 . 2]" 2
1018 1 42 TYR QE 1 51 LEU MD1 . . 4.110 3.373 2.704 3.751 . 0 0 "[ . 1 . 2]" 2
1019 1 42 TYR HA 1 51 LEU MD1 . . 4.540 4.334 4.187 4.511 . 0 0 "[ . 1 . 2]" 2
1020 1 51 LEU HA 1 51 LEU MD1 . . 4.450 3.923 3.899 3.951 . 0 0 "[ . 1 . 2]" 2
1021 1 44 CYS HB2 1 51 LEU MD1 . . 4.480 2.875 2.590 3.152 . 0 0 "[ . 1 . 2]" 2
1022 1 51 LEU MD1 1 56 HIS HB3 . . 3.570 2.462 1.954 2.797 . 0 0 "[ . 1 . 2]" 2
1023 1 51 LEU MD1 1 56 HIS HB2 . . 3.740 2.251 2.000 2.550 . 0 0 "[ . 1 . 2]" 2
1024 1 51 LEU HB2 1 51 LEU MD1 . . 3.530 2.265 2.144 2.363 . 0 0 "[ . 1 . 2]" 2
1025 1 51 LEU HB3 1 51 LEU MD1 . . 3.530 2.421 2.339 2.504 . 0 0 "[ . 1 . 2]" 2
1026 1 42 TYR QE 1 52 LYS HB3 . . 5.250 4.808 4.598 5.160 . 0 0 "[ . 1 . 2]" 2
1027 1 42 TYR QD 1 52 LYS HG3 . . 5.500 4.624 3.916 5.499 . 0 0 "[ . 1 . 2]" 2
1028 1 42 TYR QD 1 52 LYS HG2 . . 5.500 5.238 3.770 5.632 0.132 16 0 "[ . 1 . 2]" 2
1029 1 42 TYR QE 1 52 LYS HG2 . . 5.500 5.045 3.927 5.598 0.098 16 0 "[ . 1 . 2]" 2
1030 1 42 TYR QE 1 52 LYS HG3 . . 5.500 4.578 3.987 5.369 . 0 0 "[ . 1 . 2]" 2
1031 1 52 LYS HA 1 52 LYS QE . . 4.970 4.439 3.903 4.854 . 0 0 "[ . 1 . 2]" 2
1032 1 52 LYS QE 1 53 GLN QG . . 4.770 3.740 1.955 4.795 0.025 10 0 "[ . 1 . 2]" 2
1033 1 52 LYS QE 1 52 LYS HG3 . . 3.590 2.812 2.387 3.447 . 0 0 "[ . 1 . 2]" 2
1034 1 52 LYS QE 1 52 LYS HG2 . . 3.590 2.529 2.245 3.482 . 0 0 "[ . 1 . 2]" 2
1035 1 54 LYS HB2 1 54 LYS QE . . 5.120 3.783 2.718 4.188 . 0 0 "[ . 1 . 2]" 2
1036 1 51 LEU MD2 1 54 LYS QE . . 4.830 4.364 2.785 4.816 . 0 0 "[ . 1 . 2]" 2
1037 1 49 THR MG 1 54 LYS QE . . 4.190 3.215 2.040 3.824 . 0 0 "[ . 1 . 2]" 2
1038 1 54 LYS QE 1 54 LYS HG3 . . 3.720 2.589 2.092 3.417 . 0 0 "[ . 1 . 2]" 2
1039 1 54 LYS QE 1 54 LYS HG2 . . 3.720 2.581 2.087 3.211 . 0 0 "[ . 1 . 2]" 2
1040 1 56 HIS HB3 1 63 ILE MG . . 4.920 4.252 3.872 4.497 . 0 0 "[ . 1 . 2]" 2
1041 1 56 HIS HB2 1 64 TYR H . . 5.250 3.443 3.117 3.797 . 0 0 "[ . 1 . 2]" 2
1042 1 58 PHE HA 1 59 VAL HB . . 4.780 4.714 4.638 5.118 0.338 16 0 "[ . 1 . 2]" 2
1043 1 59 VAL HA 1 61 ASP H . . 5.060 3.925 3.788 4.008 . 0 0 "[ . 1 . 2]" 2
1044 1 59 VAL HB 1 69 ALA HA . . 5.440 4.557 4.207 4.974 . 0 0 "[ . 1 . 2]" 2
1045 1 59 VAL H 1 59 VAL MG1 . . 4.280 3.822 2.079 3.940 . 0 0 "[ . 1 . 2]" 2
1046 1 59 VAL MG1 1 61 ASP H . . 5.500 4.806 4.646 5.152 . 0 0 "[ . 1 . 2]" 2
1047 1 59 VAL MG1 1 73 VAL H . . 4.850 4.050 3.317 4.434 . 0 0 "[ . 1 . 2]" 2
1048 1 59 VAL MG1 1 72 ARG H . . 5.120 4.953 4.567 5.136 0.016 15 0 "[ . 1 . 2]" 2
1049 1 59 VAL MG1 1 64 TYR QD . . 4.280 3.722 1.704 3.980 . 0 0 "[ . 1 . 2]" 2
1050 1 59 VAL MG1 1 64 TYR QE . . 3.980 3.073 1.740 3.302 . 0 0 "[ . 1 . 2]" 2
1051 1 59 VAL MG1 1 72 ARG HB2 . . 3.570 3.010 2.545 3.223 . 0 0 "[ . 1 . 2]" 2
1052 1 59 VAL H 1 59 VAL MG2 . . 4.280 3.025 2.822 3.703 . 0 0 "[ . 1 . 2]" 2
1053 1 59 VAL MG2 1 61 ASP H . . 5.500 5.425 4.517 5.516 0.016 18 0 "[ . 1 . 2]" 2
1054 1 59 VAL MG2 1 64 TYR QD . . 4.280 2.843 2.591 3.498 . 0 0 "[ . 1 . 2]" 2
1055 1 59 VAL MG2 1 64 TYR QE . . 3.980 3.742 1.966 3.934 . 0 0 "[ . 1 . 2]" 2
1056 1 59 VAL HA 1 59 VAL MG2 . . 3.100 2.408 2.324 2.633 . 0 0 "[ . 1 . 2]" 2
1057 1 59 VAL MG2 1 72 ARG HB2 . . 3.570 3.061 2.622 3.303 . 0 0 "[ . 1 . 2]" 2
1058 1 56 HIS HA 1 63 ILE HB . . 4.770 4.395 3.952 4.609 . 0 0 "[ . 1 . 2]" 2
1059 1 51 LEU MD1 1 63 ILE HG13 . . 4.450 3.847 3.467 4.194 . 0 0 "[ . 1 . 2]" 2
1060 1 63 ILE HG13 1 64 TYR H . . 5.480 4.232 3.927 4.426 . 0 0 "[ . 1 . 2]" 2
1061 1 57 PHE H 1 63 ILE MD . . 5.500 5.268 5.039 5.432 . 0 0 "[ . 1 . 2]" 2
1062 1 63 ILE H 1 63 ILE MD . . 4.250 3.917 3.884 4.017 . 0 0 "[ . 1 . 2]" 2
1063 1 42 TYR QD 1 63 ILE MD . . 3.000 2.682 2.192 3.116 0.116 19 0 "[ . 1 . 2]" 2
1064 1 42 TYR QE 1 63 ILE MD . . 3.680 3.448 3.125 3.707 0.027 1 0 "[ . 1 . 2]" 2
1065 1 43 VAL HA 1 63 ILE MD . . 4.810 4.339 3.660 4.759 . 0 0 "[ . 1 . 2]" 2
1066 1 42 TYR HA 1 63 ILE MD . . 3.640 2.760 2.038 3.411 . 0 0 "[ . 1 . 2]" 2
1067 1 37 ARG HD2 1 63 ILE MD . . 4.860 2.460 1.956 3.594 . 0 0 "[ . 1 . 2]" 2
1068 1 44 CYS HA 1 63 ILE MD . . 4.860 3.364 2.892 3.717 . 0 0 "[ . 1 . 2]" 2
1069 1 56 HIS HB3 1 63 ILE MD . . 4.440 4.044 3.710 4.338 . 0 0 "[ . 1 . 2]" 2
1070 1 56 HIS HB2 1 63 ILE MD . . 3.790 3.398 3.153 3.658 . 0 0 "[ . 1 . 2]" 2
1071 1 63 ILE HB 1 63 ILE MD . . 3.060 2.180 2.101 2.356 . 0 0 "[ . 1 . 2]" 2
1072 1 51 LEU MD1 1 63 ILE MD . . 2.910 2.552 2.231 2.769 . 0 0 "[ . 1 . 2]" 2
1073 1 63 ILE MD 1 63 ILE MG . . 2.880 2.395 2.102 2.533 . 0 0 "[ . 1 . 2]" 2
1074 1 66 GLU H 1 66 GLU HG2 . . 4.530 4.502 4.453 4.536 0.006 16 0 "[ . 1 . 2]" 2
1075 1 66 GLU HG2 1 67 LYS H . . 4.460 3.561 3.301 3.726 . 0 0 "[ . 1 . 2]" 2
1076 1 57 PHE QE 1 66 GLU HG2 . . 5.140 4.451 3.709 5.092 . 0 0 "[ . 1 . 2]" 2
1077 1 57 PHE HZ 1 66 GLU HG2 . . 5.500 5.076 4.289 5.500 . 0 0 "[ . 1 . 2]" 2
1078 1 66 GLU HG2 1 70 ARG QD . . 4.520 3.056 2.345 3.865 . 0 0 "[ . 1 . 2]" 2
1079 1 66 GLU HA 1 66 GLU HG2 . . 3.640 3.217 3.068 3.438 . 0 0 "[ . 1 . 2]" 2
1080 1 66 GLU HG3 1 70 ARG QD . . 4.730 3.579 2.688 4.418 . 0 0 "[ . 1 . 2]" 2
1081 1 67 LYS HA 1 67 LYS HD3 . . 5.250 4.749 3.619 4.995 . 0 0 "[ . 1 . 2]" 2
1082 1 70 ARG HG3 1 71 GLU H . . 5.450 3.875 2.223 4.713 . 0 0 "[ . 1 . 2]" 2
1083 1 70 ARG HA 1 70 ARG HG2 . . 3.920 2.877 2.212 3.879 . 0 0 "[ . 1 . 2]" 2
1084 1 70 ARG H 1 70 ARG QD . . 4.410 3.927 3.429 4.322 . 0 0 "[ . 1 . 2]" 2
1085 1 70 ARG HA 1 70 ARG QD . . 4.410 4.132 3.722 4.404 . 0 0 "[ . 1 . 2]" 2
1086 1 67 LYS HA 1 70 ARG QD . . 4.380 3.422 2.700 4.375 . 0 0 "[ . 1 . 2]" 2
1087 1 70 ARG QB 1 70 ARG QD . . 3.060 2.201 2.085 2.381 . 0 0 "[ . 1 . 2]" 2
1088 1 71 GLU HG2 1 72 ARG H . . 5.110 4.577 2.676 5.113 0.003 17 0 "[ . 1 . 2]" 2
1089 1 64 TYR QE 1 72 ARG HG2 . . 5.500 5.325 4.981 5.513 0.013 20 0 "[ . 1 . 2]" 2
1090 1 64 TYR QE 1 72 ARG HG3 . . 5.500 5.342 4.938 5.518 0.018 18 0 "[ . 1 . 2]" 2
1091 1 72 ARG HA 1 72 ARG HG2 . . 3.560 2.427 2.202 2.578 . 0 0 "[ . 1 . 2]" 2
1092 1 73 VAL MG2 1 74 SER HA . . 5.440 4.310 2.782 5.444 0.004 15 0 "[ . 1 . 2]" 2
1093 1 73 VAL HA 1 73 VAL MG2 . . 3.280 2.462 2.260 3.183 . 0 0 "[ . 1 . 2]" 2
1094 1 70 ARG HA 1 73 VAL MG2 . . 4.750 3.491 1.877 4.773 0.023 2 0 "[ . 1 . 2]" 2
1095 1 41 CYS H 1 42 TYR HB3 . . 5.190 4.707 4.577 4.859 . 0 0 "[ . 1 . 2]" 2
1096 1 37 ARG HB2 1 42 TYR QD . . 5.290 4.025 3.379 4.645 . 0 0 "[ . 1 . 2]" 2
1097 1 27 GLY HA3 1 28 VAL HB . . 5.440 4.783 4.692 4.952 . 0 0 "[ . 1 . 2]" 2
1098 1 72 ARG H 1 72 ARG HD3 . . 5.050 4.513 3.928 4.999 . 0 0 "[ . 1 . 2]" 2
1099 1 43 VAL HB 1 44 CYS HB3 . . 4.830 4.214 4.086 4.389 . 0 0 "[ . 1 . 2]" 2
1100 1 65 CYS HB3 1 67 LYS H . . 4.790 4.505 4.364 4.630 . 0 0 "[ . 1 . 2]" 2
1101 1 44 CYS HB3 1 51 LEU MD2 . . 3.890 3.571 3.250 3.882 . 0 0 "[ . 1 . 2]" 2
1102 1 29 PHE QD 1 31 LYS HA . . 4.590 3.235 3.019 3.579 . 0 0 "[ . 1 . 2]" 2
1103 1 31 LYS HA 1 36 HIS HD2 . . 4.310 2.785 2.235 3.837 . 0 0 "[ . 1 . 2]" 2
1104 1 58 PHE HA 1 63 ILE HA . . 3.570 3.438 3.311 3.528 . 0 0 "[ . 1 . 2]" 2
1105 1 65 CYS HB2 1 68 HIS H . . 5.220 3.865 3.693 3.986 . 0 0 "[ . 1 . 2]" 2
1106 1 65 CYS HB2 1 66 GLU QB . . 5.500 4.034 3.942 4.126 . 0 0 "[ . 1 . 2]" 2
1107 1 44 CYS HB2 1 65 CYS HA . . 4.690 4.048 3.819 4.297 . 0 0 "[ . 1 . 2]" 2
1108 1 63 ILE HA 1 64 TYR HB2 . . 5.100 4.596 4.482 4.790 . 0 0 "[ . 1 . 2]" 2
1109 1 65 CYS HA 1 69 ALA MB . . 5.140 4.137 3.900 4.280 . 0 0 "[ . 1 . 2]" 2
1110 1 57 PHE H 1 65 CYS HA . . 5.050 4.372 4.168 4.598 . 0 0 "[ . 1 . 2]" 2
1111 1 44 CYS HA 1 64 TYR QD . . 4.740 4.554 4.291 4.776 0.036 10 0 "[ . 1 . 2]" 2
1112 1 43 VAL HA 1 44 CYS HA . . 4.740 4.297 4.294 4.302 . 0 0 "[ . 1 . 2]" 2
1113 1 44 CYS HA 1 63 ILE HG13 . . 4.630 3.723 3.456 4.051 . 0 0 "[ . 1 . 2]" 2
1114 1 47 CYS HA 1 68 HIS HE1 . . 4.060 3.793 3.594 3.919 . 0 0 "[ . 1 . 2]" 2
1115 1 18 CYS HB2 1 22 GLY H . . 4.810 3.823 3.568 4.365 . 0 0 "[ . 1 . 2]" 2
1116 1 37 ARG HB3 1 41 CYS HB3 . . 4.650 4.253 3.949 4.695 0.045 19 0 "[ . 1 . 2]" 2
1117 1 38 HIS HB3 1 41 CYS HB3 . . 5.500 5.254 5.073 5.475 . 0 0 "[ . 1 . 2]" 2
1118 1 17 MET ME 1 23 THR HA . . 3.810 2.935 2.093 3.828 0.018 9 0 "[ . 1 . 2]" 2
1119 1 25 ILE HG12 1 38 HIS HE1 . . 5.500 3.296 2.801 4.830 . 0 0 "[ . 1 . 2]" 2
1120 1 25 ILE HG13 1 38 HIS HE1 . . 5.500 3.740 3.009 4.531 . 0 0 "[ . 1 . 2]" 2
1121 1 57 PHE QD 1 66 GLU QB . . 4.740 3.636 3.315 3.952 . 0 0 "[ . 1 . 2]" 2
1122 1 41 CYS HA 1 43 VAL MG1 . . 3.920 3.780 3.475 3.946 0.026 5 0 "[ . 1 . 2]" 2
1123 1 57 PHE QE 1 69 ALA MB . . 4.010 3.710 3.340 3.894 . 0 0 "[ . 1 . 2]" 2
1124 1 64 TYR HA 1 69 ALA MB . . 5.190 4.781 4.525 4.974 . 0 0 "[ . 1 . 2]" 2
1125 1 20 LYS QE 1 45 THR HA . . 5.130 3.790 2.911 5.074 . 0 0 "[ . 1 . 2]" 2
1126 1 59 VAL MG2 1 72 ARG HD2 . . 4.270 3.865 3.217 4.296 0.026 14 0 "[ . 1 . 2]" 2
1127 1 59 VAL MG2 1 72 ARG HD3 . . 4.270 3.306 2.674 4.013 . 0 0 "[ . 1 . 2]" 2
1128 1 54 LYS HB3 1 54 LYS QE . . 5.120 3.677 2.339 4.217 . 0 0 "[ . 1 . 2]" 2
1129 1 50 ASN HA 1 50 ASN HD22 . . 4.520 3.563 3.382 4.016 . 0 0 "[ . 1 . 2]" 2
1130 1 52 LYS HG3 1 53 GLN QG . . 4.490 4.069 2.872 4.551 0.061 7 0 "[ . 1 . 2]" 2
1131 1 52 LYS HG2 1 53 GLN QG . . 4.490 3.385 2.634 4.479 . 0 0 "[ . 1 . 2]" 2
1132 1 51 LEU MD2 1 64 TYR HA . . 4.800 4.061 3.615 4.450 . 0 0 "[ . 1 . 2]" 2
1133 1 17 MET QG 1 22 GLY HA2 . . 5.500 4.218 3.376 4.721 . 0 0 "[ . 1 . 2]" 2
1134 1 17 MET QG 1 22 GLY HA3 . . 5.500 5.187 4.527 5.535 0.035 2 0 "[ . 1 . 2]" 2
1135 1 23 THR HA 1 24 GLY HA3 . . 4.840 4.443 4.407 4.708 . 0 0 "[ . 1 . 2]" 2
1136 1 23 THR HA 1 24 GLY HA2 . . 4.640 4.356 4.315 4.801 0.161 17 0 "[ . 1 . 2]" 2
1137 1 17 MET QG 1 24 GLY HA2 . . 5.110 3.363 2.439 4.583 . 0 0 "[ . 1 . 2]" 2
1138 1 30 VAL HB 1 42 TYR HB3 . . 5.080 4.563 3.951 5.170 0.090 19 0 "[ . 1 . 2]" 2
1139 1 30 VAL MG1 1 42 TYR HB3 . . 5.020 4.030 3.166 4.615 . 0 0 "[ . 1 . 2]" 2
1140 1 14 LYS H 1 14 LYS QG . . 4.630 3.183 1.927 4.166 . 0 0 "[ . 1 . 2]" 2
1141 1 14 LYS HA 1 14 LYS QG . . 3.400 2.653 2.187 3.341 . 0 0 "[ . 1 . 2]" 2
1142 1 14 LYS HA 1 15 LEU QD . . 4.680 4.071 2.514 4.643 . 0 0 "[ . 1 . 2]" 2
1143 1 14 LYS QB 1 15 LEU H . . 4.110 3.404 2.193 3.979 . 0 0 "[ . 1 . 2]" 2
1144 1 15 LEU H 1 15 LEU QB . . 3.080 2.715 2.493 2.857 . 0 0 "[ . 1 . 2]" 2
1145 1 15 LEU HA 1 15 LEU QD . . 2.810 2.176 1.960 2.436 . 0 0 "[ . 1 . 2]" 2
1146 1 15 LEU QB 1 15 LEU QD . . 2.650 1.899 1.811 1.958 . 0 0 "[ . 1 . 2]" 2
1147 1 15 LEU QB 1 16 PRO HD2 . . 3.560 2.215 1.876 2.453 . 0 0 "[ . 1 . 2]" 2
1148 1 15 LEU QB 1 24 GLY HA2 . . 3.920 2.972 2.531 3.271 . 0 0 "[ . 1 . 2]" 2
1149 1 15 LEU QB 1 24 GLY HA3 . . 3.870 2.864 2.002 3.263 . 0 0 "[ . 1 . 2]" 2
1150 1 15 LEU QB 1 25 ILE H . . 3.470 2.912 2.362 3.361 . 0 0 "[ . 1 . 2]" 2
1151 1 15 LEU QD 1 16 PRO HD2 . . 3.550 2.931 2.217 3.535 . 0 0 "[ . 1 . 2]" 2
1152 1 15 LEU QD 1 16 PRO HD3 . . 3.850 3.563 2.967 3.881 0.031 8 0 "[ . 1 . 2]" 2
1153 1 15 LEU QD 1 24 GLY H . . 5.340 4.811 4.031 5.290 . 0 0 "[ . 1 . 2]" 2
1154 1 15 LEU QD 1 24 GLY HA2 . . 4.170 3.769 2.944 4.091 . 0 0 "[ . 1 . 2]" 2
1155 1 15 LEU QD 1 24 GLY HA3 . . 3.800 2.924 2.094 3.343 . 0 0 "[ . 1 . 2]" 2
1156 1 15 LEU QD 1 25 ILE H . . 4.390 3.880 3.506 4.207 . 0 0 "[ . 1 . 2]" 2
1157 1 15 LEU QD 1 25 ILE HA . . 4.990 4.415 3.850 4.766 . 0 0 "[ . 1 . 2]" 2
1158 1 15 LEU QD 1 26 VAL H . . 4.870 4.225 3.735 4.448 . 0 0 "[ . 1 . 2]" 2
1159 1 15 LEU QD 1 26 VAL HA . . 3.190 2.778 2.169 3.300 0.110 17 0 "[ . 1 . 2]" 2
1160 1 15 LEU QD 1 27 GLY H . . 4.750 3.887 3.493 4.469 . 0 0 "[ . 1 . 2]" 2
1161 1 16 PRO HA 1 17 MET QB . . 4.520 4.284 4.165 4.480 . 0 0 "[ . 1 . 2]" 2
1162 1 16 PRO QG 1 25 ILE HB . . 3.780 2.085 1.915 2.341 . 0 0 "[ . 1 . 2]" 2
1163 1 16 PRO QG 1 25 ILE MD . . 3.800 2.461 1.911 2.755 . 0 0 "[ . 1 . 2]" 2
1164 1 16 PRO QG 1 29 PHE QE . . 4.690 3.367 2.668 4.181 . 0 0 "[ . 1 . 2]" 2
1165 1 16 PRO QG 1 36 HIS HD2 . . 4.470 3.475 2.670 4.166 . 0 0 "[ . 1 . 2]" 2
1166 1 17 MET H 1 17 MET QB . . 3.040 2.258 2.152 2.470 . 0 0 "[ . 1 . 2]" 2
1167 1 17 MET QB 1 17 MET ME . . 3.630 2.853 1.862 3.422 . 0 0 "[ . 1 . 2]" 2
1168 1 17 MET QB 1 18 CYS H . . 3.780 3.185 2.941 3.471 . 0 0 "[ . 1 . 2]" 2
1169 1 17 MET QB 1 22 GLY QA . . 4.620 3.181 1.904 3.587 . 0 0 "[ . 1 . 2]" 2
1170 1 17 MET QG 1 22 GLY QA . . 4.740 4.032 3.303 4.468 . 0 0 "[ . 1 . 2]" 2
1171 1 17 MET ME 1 22 GLY QA . . 4.300 3.806 3.457 4.161 . 0 0 "[ . 1 . 2]" 2
1172 1 19 ASP H 1 37 ARG QG . . 4.450 2.014 1.862 2.545 . 0 0 "[ . 1 . 2]" 2
1173 1 19 ASP QB 1 20 LYS H . . 4.170 2.668 2.312 2.929 . 0 0 "[ . 1 . 2]" 2
1174 1 19 ASP QB 1 35 ARG QB . . 3.480 3.264 2.888 3.508 0.028 12 0 "[ . 1 . 2]" 2
1175 1 19 ASP QB 1 36 HIS H . . 4.220 3.580 2.804 3.995 . 0 0 "[ . 1 . 2]" 2
1176 1 19 ASP QB 1 37 ARG QG . . 4.640 2.079 1.793 2.419 . 0 0 "[ . 1 . 2]" 2
1177 1 20 LYS H 1 37 ARG QG . . 4.120 2.296 1.906 2.527 . 0 0 "[ . 1 . 2]" 2
1178 1 20 LYS H 1 37 ARG QD . . 4.310 2.855 1.964 3.274 . 0 0 "[ . 1 . 2]" 2
1179 1 20 LYS HA 1 20 LYS QD . . 3.640 3.136 2.526 3.638 . 0 0 "[ . 1 . 2]" 2
1180 1 20 LYS QB 1 21 CYS H . . 3.140 2.094 1.936 2.387 . 0 0 "[ . 1 . 2]" 2
1181 1 20 LYS QB 1 37 ARG QD . . 3.770 2.184 1.837 2.731 . 0 0 "[ . 1 . 2]" 2
1182 1 20 LYS QB 1 38 HIS H . . 5.340 4.159 3.843 4.493 . 0 0 "[ . 1 . 2]" 2
1183 1 20 LYS QB 1 41 CYS HA . . 4.530 3.963 3.839 4.133 . 0 0 "[ . 1 . 2]" 2
1184 1 20 LYS QB 1 41 CYS HB3 . . 3.230 1.972 1.878 2.155 . 0 0 "[ . 1 . 2]" 2
1185 1 20 LYS QB 1 63 ILE MD . . 4.980 3.973 3.263 4.535 . 0 0 "[ . 1 . 2]" 2
1186 1 20 LYS QG 1 21 CYS QB . . 4.540 3.946 3.347 4.573 0.033 19 0 "[ . 1 . 2]" 2
1187 1 20 LYS QD 1 41 CYS HA . . 3.970 3.297 2.349 3.994 0.024 13 0 "[ . 1 . 2]" 2
1188 1 20 LYS QD 1 41 CYS HB3 . . 3.700 2.448 1.960 3.299 . 0 0 "[ . 1 . 2]" 2
1189 1 20 LYS QD 1 43 VAL MG2 . . 4.020 3.613 2.941 4.064 0.044 2 0 "[ . 1 . 2]" 2
1190 1 21 CYS H 1 21 CYS QB . . 3.500 2.884 2.736 2.966 . 0 0 "[ . 1 . 2]" 2
1191 1 21 CYS QB 1 23 THR MG . . 4.190 3.037 2.758 3.385 . 0 0 "[ . 1 . 2]" 2
1192 1 22 GLY QA 1 23 THR MG . . 4.430 3.660 3.415 4.189 . 0 0 "[ . 1 . 2]" 2
1193 1 25 ILE HA 1 26 VAL QG . . 4.060 3.587 3.352 3.705 . 0 0 "[ . 1 . 2]" 2
1194 1 26 VAL H 1 26 VAL QG . . 3.020 2.145 1.846 2.887 . 0 0 "[ . 1 . 2]" 2
1195 1 26 VAL HA 1 26 VAL QG . . 2.670 2.312 2.155 2.395 . 0 0 "[ . 1 . 2]" 2
1196 1 26 VAL QG 1 27 GLY H . . 3.260 2.597 2.351 2.838 . 0 0 "[ . 1 . 2]" 2
1197 1 26 VAL QG 1 27 GLY QA . . 3.640 2.974 2.824 3.136 . 0 0 "[ . 1 . 2]" 2
1198 1 27 GLY QA 1 28 VAL H . . 2.620 2.145 2.114 2.227 . 0 0 "[ . 1 . 2]" 2
1199 1 27 GLY QA 1 28 VAL HB . . 4.580 4.432 4.360 4.516 . 0 0 "[ . 1 . 2]" 2
1200 1 27 GLY QA 1 28 VAL QG . . 4.200 3.397 3.266 3.535 . 0 0 "[ . 1 . 2]" 2
1201 1 28 VAL H 1 28 VAL QG . . 2.870 1.957 1.807 2.179 . 0 0 "[ . 1 . 2]" 2
1202 1 28 VAL QG 1 29 PHE H . . 3.090 2.098 1.873 2.424 . 0 0 "[ . 1 . 2]" 2
1203 1 28 VAL QG 1 29 PHE HA . . 4.480 3.115 2.958 3.459 . 0 0 "[ . 1 . 2]" 2
1204 1 28 VAL QG 1 30 VAL HA . . 5.440 4.883 4.784 4.988 . 0 0 "[ . 1 . 2]" 2
1205 1 28 VAL QG 1 39 PRO HG2 . . 3.780 3.489 3.213 3.794 0.014 19 0 "[ . 1 . 2]" 2
1206 1 28 VAL QG 1 39 PRO HG3 . . 3.450 2.208 1.916 2.576 . 0 0 "[ . 1 . 2]" 2
1207 1 28 VAL QG 1 39 PRO HD3 . . 4.510 3.386 3.028 3.659 . 0 0 "[ . 1 . 2]" 2
1208 1 29 PHE HA 1 30 VAL QG . . 3.910 3.337 3.110 3.571 . 0 0 "[ . 1 . 2]" 2
1209 1 29 PHE QD 1 31 LYS QG . . 4.510 4.202 3.841 4.454 . 0 0 "[ . 1 . 2]" 2
1210 1 29 PHE QE 1 31 LYS QG . . 4.400 2.746 2.106 3.107 . 0 0 "[ . 1 . 2]" 2
1211 1 30 VAL H 1 30 VAL QG . . 3.110 2.357 1.779 2.613 . 0 0 "[ . 1 . 2]" 2
1212 1 30 VAL QG 1 31 LYS H . . 3.210 3.014 2.858 3.140 . 0 0 "[ . 1 . 2]" 2
1213 1 30 VAL QG 1 31 LYS HA . . 4.620 3.954 3.191 4.238 . 0 0 "[ . 1 . 2]" 2
1214 1 30 VAL QG 1 31 LYS HB3 . . 5.110 4.632 4.412 4.916 . 0 0 "[ . 1 . 2]" 2
1215 1 30 VAL QG 1 32 LEU HA . . 4.850 3.838 3.614 4.197 . 0 0 "[ . 1 . 2]" 2
1216 1 30 VAL QG 1 32 LEU QB . . 5.280 4.343 3.963 4.715 . 0 0 "[ . 1 . 2]" 2
1217 1 30 VAL QG 1 32 LEU HG . . 3.640 3.124 2.239 3.889 0.249 5 0 "[ . 1 . 2]" 2
1218 1 30 VAL QG 1 32 LEU QD . . 3.440 2.383 1.667 2.750 . 0 0 "[ . 1 . 2]" 2
1219 1 30 VAL QG 1 37 ARG H . . 4.600 3.700 1.727 4.370 . 0 0 "[ . 1 . 2]" 2
1220 1 30 VAL QG 1 37 ARG HB2 . . 5.000 3.405 1.822 4.064 . 0 0 "[ . 1 . 2]" 2
1221 1 30 VAL QG 1 37 ARG HB3 . . 5.280 3.835 2.091 4.489 . 0 0 "[ . 1 . 2]" 2
1222 1 30 VAL QG 1 38 HIS HA . . 4.660 4.145 2.955 4.601 . 0 0 "[ . 1 . 2]" 2
1223 1 30 VAL QG 1 39 PRO HA . . 2.970 1.994 1.874 2.244 . 0 0 "[ . 1 . 2]" 2
1224 1 30 VAL QG 1 39 PRO QB . . 3.850 3.085 2.819 3.275 . 0 0 "[ . 1 . 2]" 2
1225 1 30 VAL QG 1 39 PRO HG2 . . 5.200 5.017 4.843 5.179 . 0 0 "[ . 1 . 2]" 2
1226 1 30 VAL QG 1 39 PRO HG3 . . 4.850 4.811 4.643 4.902 0.052 12 0 "[ . 1 . 2]" 2
1227 1 30 VAL QG 1 39 PRO HD2 . . 4.960 4.785 4.152 4.967 0.007 17 0 "[ . 1 . 2]" 2
1228 1 30 VAL QG 1 39 PRO HD3 . . 4.480 3.989 3.462 4.275 . 0 0 "[ . 1 . 2]" 2
1229 1 30 VAL QG 1 42 TYR H . . 4.380 3.803 3.209 4.301 . 0 0 "[ . 1 . 2]" 2
1230 1 30 VAL QG 1 42 TYR HA . . 5.170 3.925 3.412 4.485 . 0 0 "[ . 1 . 2]" 2
1231 1 30 VAL QG 1 42 TYR HB2 . . 3.340 2.180 1.861 2.790 . 0 0 "[ . 1 . 2]" 2
1232 1 30 VAL QG 1 42 TYR HB3 . . 3.600 2.911 2.577 3.348 . 0 0 "[ . 1 . 2]" 2
1233 1 30 VAL QG 1 42 TYR QD . . 3.140 2.743 2.413 3.078 . 0 0 "[ . 1 . 2]" 2
1234 1 30 VAL QG 1 42 TYR QE . . 3.750 3.382 2.826 3.771 0.021 19 0 "[ . 1 . 2]" 2
1235 1 30 VAL QG 1 56 HIS HE1 . . 5.390 4.930 4.163 5.371 . 0 0 "[ . 1 . 2]" 2
1236 1 31 LYS H 1 31 LYS QG . . 4.220 4.006 3.907 4.168 . 0 0 "[ . 1 . 2]" 2
1237 1 31 LYS H 1 32 LEU QD . . 5.440 4.825 3.838 5.270 . 0 0 "[ . 1 . 2]" 2
1238 1 31 LYS HA 1 31 LYS QG . . 3.400 2.267 2.214 2.438 . 0 0 "[ . 1 . 2]" 2
1239 1 31 LYS QG 1 32 LEU H . . 4.100 3.371 2.971 3.960 . 0 0 "[ . 1 . 2]" 2
1240 1 31 LYS QG 1 36 HIS HD2 . . 4.610 2.220 1.978 3.200 . 0 0 "[ . 1 . 2]" 2
1241 1 31 LYS QE 1 34 ASP HA . . 3.830 3.603 3.329 3.794 . 0 0 "[ . 1 . 2]" 2
1242 1 31 LYS QE 1 36 HIS HE1 . . 4.420 3.089 2.463 3.828 . 0 0 "[ . 1 . 2]" 2
1243 1 32 LEU H 1 32 LEU QB . . 3.200 2.337 2.227 2.463 . 0 0 "[ . 1 . 2]" 2
1244 1 32 LEU HA 1 32 LEU QD . . 3.110 2.116 1.869 2.554 . 0 0 "[ . 1 . 2]" 2
1245 1 32 LEU QB 1 35 ARG H . . 4.210 2.512 2.378 3.538 . 0 0 "[ . 1 . 2]" 2
1246 1 32 LEU QB 1 35 ARG QB . . 3.930 2.223 1.913 2.452 . 0 0 "[ . 1 . 2]" 2
1247 1 32 LEU QB 1 35 ARG QG . . 4.010 3.745 3.406 3.959 . 0 0 "[ . 1 . 2]" 2
1248 1 32 LEU QB 1 36 HIS HA . . 4.490 3.305 2.787 3.947 . 0 0 "[ . 1 . 2]" 2
1249 1 32 LEU QB 1 56 HIS HE1 . . 5.130 4.107 3.388 4.676 . 0 0 "[ . 1 . 2]" 2
1250 1 32 LEU QB 1 58 PHE QE . . 4.470 3.754 2.564 4.102 . 0 0 "[ . 1 . 2]" 2
1251 1 32 LEU QB 1 58 PHE HZ . . 3.970 2.780 1.925 3.234 . 0 0 "[ . 1 . 2]" 2
1252 1 32 LEU QB 1 63 ILE MG . . 4.790 4.513 3.914 4.744 . 0 0 "[ . 1 . 2]" 2
1253 1 32 LEU QD 1 36 HIS HA . . 4.890 3.379 2.339 4.022 . 0 0 "[ . 1 . 2]" 2
1254 1 32 LEU QD 1 37 ARG H . . 4.210 3.551 2.514 4.213 0.003 10 0 "[ . 1 . 2]" 2
1255 1 32 LEU QD 1 37 ARG HB2 . . 4.160 2.520 2.014 2.991 . 0 0 "[ . 1 . 2]" 2
1256 1 32 LEU QD 1 37 ARG HB3 . . 4.460 3.789 3.332 4.211 . 0 0 "[ . 1 . 2]" 2
1257 1 32 LEU QD 1 37 ARG QG . . 3.710 2.512 2.043 3.190 . 0 0 "[ . 1 . 2]" 2
1258 1 32 LEU QD 1 37 ARG QD . . 3.940 3.198 2.758 3.810 . 0 0 "[ . 1 . 2]" 2
1259 1 32 LEU QD 1 37 ARG HE . . 4.870 3.777 2.073 4.828 . 0 0 "[ . 1 . 2]" 2
1260 1 32 LEU QD 1 42 TYR HB2 . . 5.440 4.440 3.863 5.059 . 0 0 "[ . 1 . 2]" 2
1261 1 32 LEU QD 1 42 TYR QD . . 3.560 3.020 2.556 3.517 . 0 0 "[ . 1 . 2]" 2
1262 1 32 LEU QD 1 42 TYR QE . . 3.240 2.647 2.102 3.212 . 0 0 "[ . 1 . 2]" 2
1263 1 32 LEU QD 1 56 HIS HB2 . . 5.440 4.430 3.977 4.805 . 0 0 "[ . 1 . 2]" 2
1264 1 32 LEU QD 1 56 HIS HB3 . . 4.640 4.236 3.852 4.537 . 0 0 "[ . 1 . 2]" 2
1265 1 32 LEU QD 1 56 HIS HD2 . . 4.400 3.873 2.550 4.247 . 0 0 "[ . 1 . 2]" 2
1266 1 32 LEU QD 1 56 HIS HE1 . . 3.690 2.293 1.959 3.566 . 0 0 "[ . 1 . 2]" 2
1267 1 32 LEU QD 1 58 PHE QE . . 3.950 3.255 1.890 3.950 0.000 13 0 "[ . 1 . 2]" 2
1268 1 32 LEU QD 1 58 PHE HZ . . 3.860 3.117 2.585 3.696 . 0 0 "[ . 1 . 2]" 2
1269 1 32 LEU QD 1 63 ILE MG . . 3.090 2.582 2.066 3.286 0.196 13 0 "[ . 1 . 2]" 2
1270 1 33 ARG QB 1 33 ARG QD . . 2.880 2.137 2.032 2.362 . 0 0 "[ . 1 . 2]" 2
1271 1 33 ARG QB 1 34 ASP HA . . 5.200 4.153 4.023 4.893 . 0 0 "[ . 1 . 2]" 2
1272 1 33 ARG QB 1 35 ARG H . . 4.070 3.673 3.519 4.257 0.187 15 0 "[ . 1 . 2]" 2
1273 1 33 ARG QD 1 58 PHE QE . . 4.300 2.496 1.940 4.139 . 0 0 "[ . 1 . 2]" 2
1274 1 33 ARG QD 1 58 PHE HZ . . 4.480 3.655 2.547 4.476 . 0 0 "[ . 1 . 2]" 2
1275 1 34 ASP QB 1 35 ARG H . . 4.260 3.631 3.360 3.956 . 0 0 "[ . 1 . 2]" 2
1276 1 35 ARG H 1 35 ARG QD . . 4.540 4.237 3.971 4.563 0.023 20 0 "[ . 1 . 2]" 2
1277 1 35 ARG HA 1 35 ARG QD . . 3.580 2.150 1.982 2.544 . 0 0 "[ . 1 . 2]" 2
1278 1 37 ARG H 1 37 ARG QG . . 4.040 3.695 3.470 3.939 . 0 0 "[ . 1 . 2]" 2
1279 1 37 ARG HA 1 37 ARG QG . . 3.420 2.139 2.081 2.195 . 0 0 "[ . 1 . 2]" 2
1280 1 37 ARG HA 1 37 ARG QD . . 3.840 3.729 3.620 3.876 0.036 13 0 "[ . 1 . 2]" 2
1281 1 37 ARG HB3 1 37 ARG QD . . 3.660 2.236 2.001 2.480 . 0 0 "[ . 1 . 2]" 2
1282 1 37 ARG QG 1 41 CYS HB3 . . 5.190 4.297 3.829 4.785 . 0 0 "[ . 1 . 2]" 2
1283 1 37 ARG QG 1 42 TYR HA . . 4.730 4.536 4.288 4.731 0.001 11 0 "[ . 1 . 2]" 2
1284 1 37 ARG QG 1 42 TYR QD . . 5.270 4.873 4.495 5.133 . 0 0 "[ . 1 . 2]" 2
1285 1 37 ARG QG 1 63 ILE MD . . 5.250 3.967 3.670 4.287 . 0 0 "[ . 1 . 2]" 2
1286 1 37 ARG QD 1 41 CYS HB2 . . 4.080 3.111 2.716 3.620 . 0 0 "[ . 1 . 2]" 2
1287 1 37 ARG QD 1 41 CYS HB3 . . 4.020 3.006 2.578 3.264 . 0 0 "[ . 1 . 2]" 2
1288 1 37 ARG QD 1 42 TYR HA . . 3.890 2.631 2.184 2.934 . 0 0 "[ . 1 . 2]" 2
1289 1 37 ARG QD 1 42 TYR QD . . 4.260 3.388 2.730 3.935 . 0 0 "[ . 1 . 2]" 2
1290 1 37 ARG QD 1 43 VAL H . . 5.340 4.751 4.352 5.021 . 0 0 "[ . 1 . 2]" 2
1291 1 37 ARG QD 1 63 ILE MD . . 4.120 2.322 1.927 3.213 . 0 0 "[ . 1 . 2]" 2
1292 1 38 HIS HB2 1 40 GLU QG . . 4.810 3.255 3.031 4.781 . 0 0 "[ . 1 . 2]" 2
1293 1 38 HIS HB3 1 40 GLU QG . . 4.500 2.577 2.271 3.502 . 0 0 "[ . 1 . 2]" 2
1294 1 39 PRO QB 1 40 GLU H . . 3.750 3.567 3.404 3.660 . 0 0 "[ . 1 . 2]" 2
1295 1 40 GLU HA 1 40 GLU QG . . 3.360 3.295 2.538 3.338 . 0 0 "[ . 1 . 2]" 2
1296 1 40 GLU HA 1 50 ASN QD . . 3.870 3.585 3.007 3.875 0.005 4 0 "[ . 1 . 2]" 2
1297 1 40 GLU QG 1 41 CYS H . . 4.070 2.375 2.141 3.825 . 0 0 "[ . 1 . 2]" 2
1298 1 42 TYR QD 1 51 LEU QB . . 4.330 3.375 3.206 3.568 . 0 0 "[ . 1 . 2]" 2
1299 1 42 TYR QD 1 52 LYS QB . . 4.140 3.448 3.185 3.840 . 0 0 "[ . 1 . 2]" 2
1300 1 42 TYR QE 1 51 LEU QB . . 4.140 2.862 2.608 3.086 . 0 0 "[ . 1 . 2]" 2
1301 1 42 TYR QE 1 52 LYS QB . . 4.490 3.917 3.674 4.328 . 0 0 "[ . 1 . 2]" 2
1302 1 42 TYR QE 1 52 LYS QG . . 4.830 4.135 3.830 4.542 . 0 0 "[ . 1 . 2]" 2
1303 1 43 VAL HA 1 51 LEU QB . . 4.830 3.809 3.317 4.191 . 0 0 "[ . 1 . 2]" 2
1304 1 43 VAL HB 1 48 GLY QA . . 3.170 2.584 2.161 2.747 . 0 0 "[ . 1 . 2]" 2
1305 1 43 VAL MG1 1 48 GLY QA . . 4.160 3.844 3.510 4.011 . 0 0 "[ . 1 . 2]" 2
1306 1 43 VAL MG1 1 50 ASN QD . . 3.680 2.616 2.221 3.034 . 0 0 "[ . 1 . 2]" 2
1307 1 43 VAL MG2 1 48 GLY QA . . 3.220 2.320 2.041 2.593 . 0 0 "[ . 1 . 2]" 2
1308 1 45 THR MG 1 62 GLN QE . . 4.490 2.999 1.785 4.334 . 0 0 "[ . 1 . 2]" 2
1309 1 46 ASP QB 1 47 CYS H . . 3.160 2.023 1.952 2.339 . 0 0 "[ . 1 . 2]" 2
1310 1 46 ASP QB 1 64 TYR QE . . 4.710 3.276 2.771 3.781 . 0 0 "[ . 1 . 2]" 2
1311 1 46 ASP QB 1 68 HIS HD2 . . 5.340 4.336 3.522 4.625 . 0 0 "[ . 1 . 2]" 2
1312 1 47 CYS H 1 48 GLY QA . . 4.290 4.198 4.147 4.248 . 0 0 "[ . 1 . 2]" 2
1313 1 51 LEU H 1 51 LEU QB . . 3.180 2.544 2.505 2.600 . 0 0 "[ . 1 . 2]" 2
1314 1 51 LEU HA 1 54 LYS QB . . 3.690 2.279 1.979 2.660 . 0 0 "[ . 1 . 2]" 2
1315 1 51 LEU HA 1 54 LYS QG . . 5.040 3.747 3.333 4.198 . 0 0 "[ . 1 . 2]" 2
1316 1 51 LEU QB 1 52 LYS H . . 4.090 3.581 3.411 3.642 . 0 0 "[ . 1 . 2]" 2
1317 1 51 LEU QB 1 55 GLY H . . 4.080 2.792 2.509 3.220 . 0 0 "[ . 1 . 2]" 2
1318 1 51 LEU QB 1 56 HIS HA . . 4.160 3.225 2.937 3.618 . 0 0 "[ . 1 . 2]" 2
1319 1 51 LEU QB 1 56 HIS HB3 . . 5.010 2.696 2.377 2.964 . 0 0 "[ . 1 . 2]" 2
1320 1 51 LEU MD2 1 54 LYS QB . . 4.280 2.732 2.499 3.079 . 0 0 "[ . 1 . 2]" 2
1321 1 51 LEU MD2 1 54 LYS QD . . 3.960 3.022 2.660 3.568 . 0 0 "[ . 1 . 2]" 2
1322 1 52 LYS H 1 52 LYS QB . . 2.730 2.214 2.126 2.246 . 0 0 "[ . 1 . 2]" 2
1323 1 52 LYS H 1 52 LYS QG . . 4.140 3.956 3.822 4.070 . 0 0 "[ . 1 . 2]" 2
1324 1 52 LYS HA 1 52 LYS QG . . 3.250 2.435 2.170 2.870 . 0 0 "[ . 1 . 2]" 2
1325 1 52 LYS HA 1 52 LYS QD . . 3.970 3.292 1.960 3.930 . 0 0 "[ . 1 . 2]" 2
1326 1 52 LYS QB 1 52 LYS QE . . 4.250 3.025 2.020 3.774 . 0 0 "[ . 1 . 2]" 2
1327 1 52 LYS QB 1 53 GLN QG . . 4.540 2.896 2.525 3.539 . 0 0 "[ . 1 . 2]" 2
1328 1 52 LYS QG 1 53 GLN HA . . 5.160 4.035 3.529 4.930 . 0 0 "[ . 1 . 2]" 2
1329 1 53 GLN QB 1 54 LYS H . . 4.100 2.332 2.104 2.642 . 0 0 "[ . 1 . 2]" 2
1330 1 53 GLN QB 1 54 LYS QG . . 3.960 3.342 3.123 3.686 . 0 0 "[ . 1 . 2]" 2
1331 1 53 GLN QG 1 54 LYS QG . . 5.340 5.035 4.752 5.232 . 0 0 "[ . 1 . 2]" 2
1332 1 54 LYS H 1 54 LYS QB . . 3.600 2.532 2.276 2.671 . 0 0 "[ . 1 . 2]" 2
1333 1 54 LYS H 1 54 LYS QG . . 4.100 2.097 1.879 2.640 . 0 0 "[ . 1 . 2]" 2
1334 1 54 LYS HA 1 54 LYS QG . . 3.110 2.407 2.165 2.506 . 0 0 "[ . 1 . 2]" 2
1335 1 54 LYS HA 1 54 LYS QD . . 4.470 3.993 3.727 4.211 . 0 0 "[ . 1 . 2]" 2
1336 1 54 LYS QB 1 54 LYS QD . . 3.270 2.128 2.041 2.193 . 0 0 "[ . 1 . 2]" 2
1337 1 54 LYS QB 1 54 LYS QE . . 4.510 3.257 2.306 3.680 . 0 0 "[ . 1 . 2]" 2
1338 1 54 LYS QB 1 55 GLY H . . 3.470 2.330 2.038 2.534 . 0 0 "[ . 1 . 2]" 2
1339 1 54 LYS QD 1 65 CYS HB2 . . 5.010 3.628 3.147 4.053 . 0 0 "[ . 1 . 2]" 2
1340 1 55 GLY QA 1 56 HIS H . . 2.910 2.231 2.166 2.272 . 0 0 "[ . 1 . 2]" 2
1341 1 57 PHE HB3 1 59 VAL QG . . 4.890 2.869 2.733 2.998 . 0 0 "[ . 1 . 2]" 2
1342 1 58 PHE H 1 59 VAL QG . . 5.170 3.488 3.286 3.691 . 0 0 "[ . 1 . 2]" 2
1343 1 58 PHE HA 1 59 VAL QG . . 4.230 3.706 3.344 3.820 . 0 0 "[ . 1 . 2]" 2
1344 1 59 VAL H 1 59 VAL QG . . 3.480 2.858 2.068 2.956 . 0 0 "[ . 1 . 2]" 2
1345 1 59 VAL HA 1 59 VAL QG . . 2.640 2.141 2.080 2.499 . 0 0 "[ . 1 . 2]" 2
1346 1 59 VAL HB 1 72 ARG QD . . 4.710 3.085 2.603 4.699 . 0 0 "[ . 1 . 2]" 2
1347 1 59 VAL QG 1 60 GLU H . . 4.070 2.758 2.539 2.976 . 0 0 "[ . 1 . 2]" 2
1348 1 59 VAL QG 1 60 GLU HA . . 4.490 3.998 3.667 4.133 . 0 0 "[ . 1 . 2]" 2
1349 1 59 VAL QG 1 60 GLU QB . . 4.280 2.883 2.527 3.041 . 0 0 "[ . 1 . 2]" 2
1350 1 59 VAL QG 1 60 GLU QG . . 3.210 2.097 1.934 2.422 . 0 0 "[ . 1 . 2]" 2
1351 1 59 VAL QG 1 61 ASP H . . 4.730 4.488 4.244 4.577 . 0 0 "[ . 1 . 2]" 2
1352 1 59 VAL QG 1 62 GLN H . . 4.770 4.231 3.661 4.305 . 0 0 "[ . 1 . 2]" 2
1353 1 59 VAL QG 1 64 TYR HB2 . . 4.290 3.583 3.387 3.728 . 0 0 "[ . 1 . 2]" 2
1354 1 59 VAL QG 1 64 TYR HB3 . . 5.120 4.788 4.380 4.938 . 0 0 "[ . 1 . 2]" 2
1355 1 59 VAL QG 1 64 TYR QD . . 3.200 2.689 1.700 2.857 . 0 0 "[ . 1 . 2]" 2
1356 1 59 VAL QG 1 69 ALA H . . 5.070 4.833 4.653 4.948 . 0 0 "[ . 1 . 2]" 2
1357 1 59 VAL QG 1 69 ALA HA . . 2.990 2.820 2.643 2.938 . 0 0 "[ . 1 . 2]" 2
1358 1 59 VAL QG 1 69 ALA MB . . 3.020 2.748 2.405 3.007 . 0 0 "[ . 1 . 2]" 2
1359 1 59 VAL QG 1 72 ARG HB3 . . 3.360 2.121 1.944 2.384 . 0 0 "[ . 1 . 2]" 2
1360 1 59 VAL QG 1 72 ARG QG . . 4.220 3.360 3.026 3.561 . 0 0 "[ . 1 . 2]" 2
1361 1 59 VAL QG 1 72 ARG QD . . 3.310 2.210 1.909 2.526 . 0 0 "[ . 1 . 2]" 2
1362 1 59 VAL QG 1 73 VAL H . . 3.870 3.404 2.799 3.774 . 0 0 "[ . 1 . 2]" 2
1363 1 60 GLU HA 1 60 GLU QG . . 3.330 2.570 2.285 2.997 . 0 0 "[ . 1 . 2]" 2
1364 1 60 GLU QB 1 61 ASP QB . . 4.290 4.022 3.973 4.133 . 0 0 "[ . 1 . 2]" 2
1365 1 60 GLU QG 1 61 ASP H . . 4.880 4.575 4.499 4.756 . 0 0 "[ . 1 . 2]" 2
1366 1 61 ASP QB 1 62 GLN H . . 4.020 3.824 3.811 3.843 . 0 0 "[ . 1 . 2]" 2
1367 1 62 GLN QE 1 62 GLN QG . . 3.100 2.190 2.067 2.402 . 0 0 "[ . 1 . 2]" 2
1368 1 64 TYR QD 1 72 ARG QD . . 4.380 2.981 2.718 3.300 . 0 0 "[ . 1 . 2]" 2
1369 1 64 TYR QE 1 72 ARG QD . . 3.890 3.183 2.911 3.385 . 0 0 "[ . 1 . 2]" 2
1370 1 67 LYS H 1 67 LYS QB . . 2.510 2.242 2.232 2.248 . 0 0 "[ . 1 . 2]" 2
1371 1 67 LYS H 1 67 LYS QD . . 4.950 4.417 4.272 4.531 . 0 0 "[ . 1 . 2]" 2
1372 1 67 LYS HA 1 67 LYS QD . . 4.420 4.118 3.458 4.258 . 0 0 "[ . 1 . 2]" 2
1373 1 67 LYS QB 1 68 HIS H . . 3.060 2.212 2.009 2.437 . 0 0 "[ . 1 . 2]" 2
1374 1 67 LYS QE 1 67 LYS HG2 . . 3.660 3.048 2.300 3.481 . 0 0 "[ . 1 . 2]" 2
1375 1 67 LYS HG2 1 71 GLU QG . . 4.720 3.895 3.375 4.721 0.001 15 0 "[ . 1 . 2]" 2
1376 1 67 LYS QD 1 68 HIS H . . 4.160 3.450 2.635 3.926 . 0 0 "[ . 1 . 2]" 2
1377 1 67 LYS QD 1 68 HIS HE1 . . 4.800 4.323 3.801 4.669 . 0 0 "[ . 1 . 2]" 2
1378 1 68 HIS HA 1 71 GLU QG . . 3.910 2.796 2.097 3.229 . 0 0 "[ . 1 . 2]" 2
1379 1 68 HIS HD2 1 71 GLU QG . . 5.340 3.809 2.714 4.349 . 0 0 "[ . 1 . 2]" 2
1380 1 69 ALA HA 1 72 ARG QG . . 5.090 3.557 3.111 4.108 . 0 0 "[ . 1 . 2]" 2
1381 1 69 ALA HA 1 72 ARG QD . . 4.340 2.943 2.191 3.525 . 0 0 "[ . 1 . 2]" 2
1382 1 69 ALA HA 1 73 VAL QG . . 4.610 3.976 3.287 4.553 . 0 0 "[ . 1 . 2]" 2
1383 1 70 ARG H 1 70 ARG QG . . 3.270 2.436 2.108 2.816 . 0 0 "[ . 1 . 2]" 2
1384 1 70 ARG H 1 73 VAL QG . . 4.950 3.896 3.363 4.690 . 0 0 "[ . 1 . 2]" 2
1385 1 70 ARG HA 1 70 ARG QG . . 3.380 2.623 2.167 3.331 . 0 0 "[ . 1 . 2]" 2
1386 1 70 ARG HA 1 73 VAL QG . . 3.270 2.250 1.849 3.273 0.003 15 0 "[ . 1 . 2]" 2
1387 1 70 ARG QG 1 71 GLU H . . 4.570 3.586 2.024 4.290 . 0 0 "[ . 1 . 2]" 2
1388 1 71 GLU H 1 71 GLU QG . . 3.090 2.272 1.980 2.676 . 0 0 "[ . 1 . 2]" 2
1389 1 71 GLU HA 1 71 GLU QG . . 3.200 2.559 2.276 3.270 0.070 15 0 "[ . 1 . 2]" 2
1390 1 72 ARG H 1 72 ARG QG . . 3.120 2.644 2.531 2.859 . 0 0 "[ . 1 . 2]" 2
1391 1 72 ARG H 1 72 ARG QD . . 4.420 3.955 3.680 4.286 . 0 0 "[ . 1 . 2]" 2
1392 1 72 ARG H 1 73 VAL QG . . 4.370 3.739 3.163 4.138 . 0 0 "[ . 1 . 2]" 2
1393 1 72 ARG HA 1 72 ARG QG . . 2.970 2.302 2.153 2.390 . 0 0 "[ . 1 . 2]" 2
1394 1 72 ARG HA 1 72 ARG QD . . 4.140 3.982 3.785 4.127 . 0 0 "[ . 1 . 2]" 2
1395 1 72 ARG HB2 1 72 ARG QD . . 3.110 2.414 2.192 2.679 . 0 0 "[ . 1 . 2]" 2
1396 1 72 ARG HB3 1 72 ARG QD . . 3.280 2.433 2.094 2.764 . 0 0 "[ . 1 . 2]" 2
1397 1 73 VAL H 1 73 VAL QG . . 2.970 2.013 1.745 2.198 . 0 0 "[ . 1 . 2]" 2
1398 1 73 VAL HA 1 73 VAL QG . . 2.800 2.230 2.071 2.500 . 0 0 "[ . 1 . 2]" 2
1399 1 73 VAL QG 1 74 SER H . . 4.090 2.428 1.854 3.141 . 0 0 "[ . 1 . 2]" 2
1400 1 73 VAL QG 1 74 SER HA . . 4.130 3.272 2.770 3.613 . 0 0 "[ . 1 . 2]" 2
1401 1 73 VAL QG 1 74 SER QB . . 4.250 3.231 2.510 3.921 . 0 0 "[ . 1 . 2]" 2
1402 1 75 GLY QA 1 76 PRO QD . . 2.660 1.938 1.837 2.035 . 0 0 "[ . 1 . 2]" 2
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