NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
507243 |
2ecv   |
11163 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ecv
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 27
_Distance_constraint_stats_list.Viol_count 209
_Distance_constraint_stats_list.Viol_total 45.264
_Distance_constraint_stats_list.Viol_max 0.029
_Distance_constraint_stats_list.Viol_rms 0.0072
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0108
_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 22 CYS 1.151 0.027 14 0 "[ . 1 . 2]"
1 25 CYS 0.240 0.014 18 0 "[ . 1 . 2]"
1 37 CYS 0.059 0.010 13 0 "[ . 1 . 2]"
1 39 HIS 0.016 0.006 13 0 "[ . 1 . 2]"
1 42 CYS 1.116 0.028 14 0 "[ . 1 . 2]"
1 45 CYS 0.229 0.013 10 0 "[ . 1 . 2]"
1 62 CYS 0.050 0.007 5 0 "[ . 1 . 2]"
1 65 CYS 0.117 0.029 13 0 "[ . 1 . 2]"
2 1 ZN 1.441 0.028 14 0 "[ . 1 . 2]"
3 1 ZN 0.109 0.029 13 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 22 CYS SG 2 1 ZN ZN . 2.190 2.390 2.403 2.396 2.410 0.020 12 0 "[ . 1 . 2]" 1
2 1 22 CYS CB 2 1 ZN ZN . 3.250 3.510 3.231 3.223 3.241 0.027 14 0 "[ . 1 . 2]" 1
3 1 25 CYS SG 2 1 ZN ZN . 2.190 2.390 2.307 2.215 2.370 . 0 0 "[ . 1 . 2]" 1
4 1 25 CYS CB 2 1 ZN ZN . 3.250 3.510 3.331 3.246 3.453 0.004 9 0 "[ . 1 . 2]" 1
5 1 42 CYS SG 2 1 ZN ZN . 2.190 2.390 2.409 2.401 2.417 0.027 14 0 "[ . 1 . 2]" 1
6 1 42 CYS CB 2 1 ZN ZN . 3.250 3.510 3.230 3.222 3.239 0.028 14 0 "[ . 1 . 2]" 1
7 1 45 CYS SG 2 1 ZN ZN . 2.190 2.390 2.225 2.189 2.303 0.001 10 0 "[ . 1 . 2]" 1
8 1 45 CYS CB 2 1 ZN ZN . 3.250 3.510 3.422 3.361 3.516 0.006 17 0 "[ . 1 . 2]" 1
9 1 22 CYS SG 1 25 CYS SG . 3.560 3.960 3.560 3.546 3.613 0.014 18 0 "[ . 1 . 2]" 1
10 1 22 CYS SG 1 42 CYS SG . 3.560 3.960 3.544 3.535 3.550 0.025 15 0 "[ . 1 . 2]" 1
11 1 22 CYS SG 1 45 CYS SG . 3.560 3.960 3.965 3.956 3.973 0.013 10 0 "[ . 1 . 2]" 1
12 1 25 CYS SG 1 42 CYS SG . 3.560 3.960 3.870 3.760 3.968 0.008 19 0 "[ . 1 . 2]" 1
13 1 25 CYS SG 1 45 CYS SG . 3.560 3.960 3.965 3.950 3.973 0.013 12 0 "[ . 1 . 2]" 1
14 1 42 CYS SG 1 45 CYS SG . 3.560 3.960 3.795 3.756 3.843 . 0 0 "[ . 1 . 2]" 1
15 1 37 CYS SG 3 1 ZN ZN . 2.190 2.390 2.379 2.304 2.400 0.010 13 0 "[ . 1 . 2]" 1
16 1 37 CYS CB 3 1 ZN ZN . 3.250 3.510 3.287 3.248 3.456 0.002 1 0 "[ . 1 . 2]" 1
17 1 39 HIS ND1 3 1 ZN ZN . . 2.100 1.959 1.894 2.039 0.006 13 0 "[ . 1 . 2]" 1
18 1 62 CYS SG 3 1 ZN ZN . 2.190 2.390 2.312 2.205 2.391 0.001 13 0 "[ . 1 . 2]" 1
19 1 62 CYS CB 3 1 ZN ZN . 3.250 3.510 3.363 3.249 3.512 0.002 11 0 "[ . 1 . 2]" 1
20 1 65 CYS SG 3 1 ZN ZN . 2.190 2.390 2.245 2.161 2.380 0.029 13 0 "[ . 1 . 2]" 1
21 1 65 CYS CB 3 1 ZN ZN . 3.250 3.510 3.505 3.483 3.539 0.029 13 0 "[ . 1 . 2]" 1
22 1 37 CYS SG 1 39 HIS ND1 . 3.320 3.720 3.453 3.318 3.613 0.002 5 0 "[ . 1 . 2]" 1
23 1 37 CYS SG 1 62 CYS SG . 3.560 3.960 3.622 3.557 3.811 0.003 8 0 "[ . 1 . 2]" 1
24 1 37 CYS SG 1 65 CYS SG . 3.560 3.960 3.861 3.551 3.962 0.009 13 0 "[ . 1 . 2]" 1
25 1 39 HIS ND1 1 62 CYS SG . 3.320 3.720 3.552 3.314 3.696 0.006 10 0 "[ . 1 . 2]" 1
26 1 39 HIS ND1 1 65 CYS SG . 3.320 3.720 3.632 3.486 3.720 . 0 0 "[ . 1 . 2]" 1
27 1 62 CYS SG 1 65 CYS SG . 3.560 3.960 3.578 3.553 3.707 0.007 5 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 1220
_Distance_constraint_stats_list.Viol_count 1923
_Distance_constraint_stats_list.Viol_total 9176.525
_Distance_constraint_stats_list.Viol_max 2.203
_Distance_constraint_stats_list.Viol_rms 0.1037
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0188
_Distance_constraint_stats_list.Viol_average_violations_only 0.2386
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 SER 5.024 0.993 1 4 "[+- *. * 1 . 2]"
1 11 GLY 3.209 1.015 1 3 "[+* -. 1 . 2]"
1 12 ILE 9.596 1.015 1 4 "[+- *. * 1 . 2]"
1 13 LEU 1.418 0.255 2 0 "[ . 1 . 2]"
1 14 VAL 0.200 0.156 4 0 "[ . 1 . 2]"
1 15 ASN 3.497 0.689 12 3 "[ * . 1 + . -2]"
1 16 VAL 14.614 0.689 12 10 "[ * ** * 1*+ ** -*2]"
1 17 LYS 2.633 0.318 13 0 "[ . 1 . 2]"
1 18 GLU 13.058 0.757 3 13 "[ +*.**- *** *. ****]"
1 19 GLU 8.243 0.837 19 10 "[ -*** * *** . *+2]"
1 20 VAL 47.217 1.291 2 20 [*+*****-************]
1 21 THR 108.817 1.291 2 20 [*+*****************-]
1 22 CYS 18.244 0.541 14 6 "[ .* 1- +* **]"
1 23 PRO 33.872 1.039 4 20 [***+***************-]
1 24 ILE 57.234 1.039 4 20 [***+*************-**]
1 25 CYS 5.338 0.257 16 0 "[ . 1 . 2]"
1 26 LEU 35.901 0.995 19 20 [******************+-]
1 27 GLU 38.959 1.201 10 20 [*********+*********-]
1 28 LEU 36.483 0.710 5 17 "[****+*** ***-**** *2]"
1 29 LEU 16.724 0.537 20 1 "[ . 1 . +]"
1 30 THR 6.113 1.071 20 4 "[ * . - 1 . * +]"
1 31 GLN 35.828 2.203 11 20 [********-*+*********]
1 32 PRO 20.265 0.617 19 5 "[ . * 1 ** +-]"
1 33 LEU 30.595 0.898 19 13 "[* *.*** ** **.***+2]"
1 34 SER 6.735 0.329 20 0 "[ . 1 . 2]"
1 35 LEU 14.472 0.627 3 1 "[ + . 1 . 2]"
1 36 ASP 0.048 0.022 12 0 "[ . 1 . 2]"
1 37 CYS 0.610 0.251 17 0 "[ . 1 . 2]"
1 38 GLY 0.380 0.169 17 0 "[ . 1 . 2]"
1 39 HIS 5.949 0.627 3 1 "[ + . 1 . 2]"
1 40 SER 18.581 0.617 19 5 "[ . * 1 -* +*]"
1 41 PHE 16.413 0.344 4 0 "[ . 1 . 2]"
1 42 CYS 11.173 0.541 14 6 "[ .* 1- +* **]"
1 43 GLN 48.330 2.203 11 19 "[********-*+****** **]"
1 44 ALA 0.280 0.045 7 0 "[ . 1 . 2]"
1 45 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LEU 21.068 0.706 2 1 "[ + . 1 . 2]"
1 47 THR 1.951 0.112 16 0 "[ . 1 . 2]"
1 48 ALA 8.062 0.534 2 2 "[ + . 1 - 2]"
1 49 ASN 22.171 1.716 10 5 "[ * . +- **. 2]"
1 50 HIS 4.223 0.706 2 1 "[ + . 1 . 2]"
1 51 LYS 5.458 0.534 2 2 "[ + . 1 - 2]"
1 52 LYS 18.242 1.053 14 12 "[** ** *1 **+.- ***]"
1 53 SER 11.778 0.716 18 5 "[ . ** . +*-]"
1 54 MET 0.342 0.046 8 0 "[ . 1 . 2]"
1 55 LEU 13.557 1.053 14 12 "[** ** *1 **+.- ***]"
1 56 ASP 5.262 0.688 10 5 "[ - . + * .* * 2]"
1 57 LYS 15.899 0.716 18 8 "[ - . ** * .* +**]"
1 58 GLY 0.730 0.081 15 0 "[ . 1 . 2]"
1 59 GLU 2.079 0.296 11 0 "[ . 1 . 2]"
1 60 SER 2.204 0.296 11 0 "[ . 1 . 2]"
1 61 SER 0.138 0.055 19 0 "[ . 1 . 2]"
1 62 CYS 10.173 1.716 10 6 "[* - . +* **. 2]"
1 63 PRO 18.335 0.618 17 17 "[*********1** ** +-**]"
1 64 VAL 3.087 0.351 20 0 "[ . 1 . 2]"
1 65 CYS 0.048 0.048 14 0 "[ . 1 . 2]"
1 66 ARG 0.379 0.113 17 0 "[ . 1 . 2]"
1 67 ILE 1.318 0.338 13 0 "[ . 1 . 2]"
1 68 SER 0.750 0.338 13 0 "[ . 1 . 2]"
1 69 TYR 3.685 0.719 1 3 "[+ - . * . 2]"
1 70 GLN 0.886 0.096 1 0 "[ . 1 . 2]"
1 71 PRO 0.774 0.096 1 0 "[ . 1 . 2]"
1 72 GLU 0.052 0.052 10 0 "[ . 1 . 2]"
1 73 ASN 0.151 0.049 10 0 "[ . 1 . 2]"
1 74 ILE 6.685 0.425 10 0 "[ . 1 . 2]"
1 75 ARG 8.372 0.807 6 9 "[* *.+** 1* . **-2]"
1 76 PRO 9.957 0.898 19 10 "[- *. * ** **.* *+2]"
1 77 ASN 0.035 0.023 5 0 "[ . 1 . 2]"
1 78 ARG 1.092 0.331 12 0 "[ . 1 . 2]"
1 79 HIS 0.866 0.257 12 0 "[ . 1 . 2]"
1 80 VAL 0.990 0.257 12 0 "[ . 1 . 2]"
1 81 ALA 0.060 0.049 18 0 "[ . 1 . 2]"
1 82 ASN 0.065 0.047 6 0 "[ . 1 . 2]"
1 83 ILE 4.382 0.562 11 1 "[ . 1+ . 2]"
1 84 VAL 3.464 0.562 11 1 "[ . 1+ . 2]"
1 85 GLU 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 74 ILE HG13 1 75 ARG H . . 5.180 4.949 4.255 5.203 0.023 3 0 "[ . 1 . 2]" 2
2 1 13 LEU H 1 14 VAL H . . 4.490 4.403 4.228 4.522 0.032 12 0 "[ . 1 . 2]" 2
3 1 12 ILE HA 1 13 LEU H . . 2.740 2.244 2.152 2.483 . 0 0 "[ . 1 . 2]" 2
4 1 12 ILE HB 1 13 LEU H . . 3.950 3.029 2.221 4.205 0.255 2 0 "[ . 1 . 2]" 2
5 1 13 LEU H 1 13 LEU HB2 . . 4.020 2.556 2.288 2.872 . 0 0 "[ . 1 . 2]" 2
6 1 74 ILE H 1 75 ARG H . . 4.700 4.413 4.228 4.624 . 0 0 "[ . 1 . 2]" 2
7 1 74 ILE HA 1 75 ARG H . . 2.920 2.225 2.179 2.261 . 0 0 "[ . 1 . 2]" 2
8 1 75 ARG H 1 75 ARG HB3 . . 3.560 3.280 2.964 3.467 . 0 0 "[ . 1 . 2]" 2
9 1 75 ARG H 1 75 ARG QG . . 3.610 2.464 2.241 2.786 . 0 0 "[ . 1 . 2]" 2
10 1 74 ILE MG 1 75 ARG H . . 3.570 2.040 1.856 2.321 . 0 0 "[ . 1 . 2]" 2
11 1 75 ARG H 1 75 ARG QD . . 4.500 3.942 2.442 4.361 . 0 0 "[ . 1 . 2]" 2
12 1 74 ILE HG12 1 75 ARG H . . 5.180 4.371 4.023 4.955 . 0 0 "[ . 1 . 2]" 2
13 1 62 CYS H 1 69 TYR QD . . 4.380 3.671 2.556 4.411 0.031 5 0 "[ . 1 . 2]" 2
14 1 62 CYS H 1 62 CYS QB . . 3.240 2.263 2.215 2.580 . 0 0 "[ . 1 . 2]" 2
15 1 35 LEU MD1 1 62 CYS H . . 5.130 4.700 4.103 5.174 0.044 19 0 "[ . 1 . 2]" 2
16 1 83 ILE HA 1 84 VAL H . . 3.090 2.324 2.140 2.990 . 0 0 "[ . 1 . 2]" 2
17 1 83 ILE MG 1 84 VAL H . . 4.260 2.962 2.069 4.344 0.084 13 0 "[ . 1 . 2]" 2
18 1 84 VAL H 1 84 VAL HB . . 3.780 3.223 2.449 3.908 0.128 11 0 "[ . 1 . 2]" 2
19 1 83 ILE HB 1 84 VAL H . . 4.420 3.887 1.899 4.449 0.029 13 0 "[ . 1 . 2]" 2
20 1 43 GLN HE21 1 44 ALA MB . . 5.500 5.440 5.142 5.536 0.036 20 0 "[ . 1 . 2]" 2
21 1 33 LEU MD1 1 43 GLN HE21 . . 4.940 3.498 2.515 4.791 . 0 0 "[ . 1 . 2]" 2
22 1 33 LEU MD2 1 43 GLN HE21 . . 5.420 4.123 3.531 4.532 . 0 0 "[ . 1 . 2]" 2
23 1 43 GLN HA 1 43 GLN HE22 . . 5.500 4.331 3.379 5.548 0.048 2 0 "[ . 1 . 2]" 2
24 1 43 GLN HE22 1 43 GLN QG . . 3.720 3.355 3.262 3.468 . 0 0 "[ . 1 . 2]" 2
25 1 43 GLN HB3 1 43 GLN HE22 . . 5.220 4.626 3.830 5.198 . 0 0 "[ . 1 . 2]" 2
26 1 16 VAL HA 1 17 LYS H . . 2.640 2.421 2.145 2.648 0.008 17 0 "[ . 1 . 2]" 2
27 1 16 VAL HB 1 17 LYS H . . 4.160 2.624 2.042 4.132 . 0 0 "[ . 1 . 2]" 2
28 1 17 LYS H 1 17 LYS QG . . 4.020 2.773 1.868 3.776 . 0 0 "[ . 1 . 2]" 2
29 1 16 VAL MG2 1 17 LYS H . . 3.470 2.923 2.219 3.457 . 0 0 "[ . 1 . 2]" 2
30 1 22 CYS H 1 29 LEU H . . 4.400 3.819 3.120 4.181 . 0 0 "[ . 1 . 2]" 2
31 1 21 THR HA 1 29 LEU H . . 3.710 2.571 1.940 2.984 . 0 0 "[ . 1 . 2]" 2
32 1 28 LEU HG 1 29 LEU H . . 4.120 3.282 2.640 4.171 0.051 18 0 "[ . 1 . 2]" 2
33 1 29 LEU H 1 29 LEU HB2 . . 3.510 2.368 2.137 2.561 . 0 0 "[ . 1 . 2]" 2
34 1 21 THR MG 1 29 LEU H . . 4.020 4.051 3.468 4.399 0.379 16 0 "[ . 1 . 2]" 2
35 1 29 LEU H 1 29 LEU QD . . 4.000 3.621 3.422 3.726 . 0 0 "[ . 1 . 2]" 2
36 1 36 ASP HA 1 38 GLY H . . 4.550 4.380 4.205 4.546 . 0 0 "[ . 1 . 2]" 2
37 1 36 ASP H 1 38 GLY H . . 4.830 4.525 3.995 4.719 . 0 0 "[ . 1 . 2]" 2
38 1 38 GLY H 1 39 HIS H . . 3.650 2.218 1.946 3.176 . 0 0 "[ . 1 . 2]" 2
39 1 37 CYS HB2 1 38 GLY H . . 4.100 3.912 3.804 4.094 . 0 0 "[ . 1 . 2]" 2
40 1 35 LEU HB2 1 38 GLY H . . 4.350 2.861 2.357 3.109 . 0 0 "[ . 1 . 2]" 2
41 1 35 LEU HB3 1 38 GLY H . . 4.570 4.231 3.788 4.479 . 0 0 "[ . 1 . 2]" 2
42 1 33 LEU H 1 34 SER H . . 4.470 4.519 4.457 4.542 0.072 2 0 "[ . 1 . 2]" 2
43 1 33 LEU H 1 40 SER HB2 . . 4.590 4.631 4.377 4.801 0.211 15 0 "[ . 1 . 2]" 2
44 1 33 LEU H 1 43 GLN HB2 . . 5.500 5.506 5.439 5.532 0.032 13 0 "[ . 1 . 2]" 2
45 1 32 PRO HA 1 33 LEU H . . 2.980 2.476 2.360 2.660 . 0 0 "[ . 1 . 2]" 2
46 1 32 PRO HB3 1 33 LEU H . . 3.820 3.370 3.192 3.509 . 0 0 "[ . 1 . 2]" 2
47 1 32 PRO HB2 1 33 LEU H . . 3.870 2.436 2.028 2.719 . 0 0 "[ . 1 . 2]" 2
48 1 33 LEU H 1 33 LEU HB2 . . 3.550 2.609 2.512 2.690 . 0 0 "[ . 1 . 2]" 2
49 1 33 LEU H 1 33 LEU HG . . 3.890 2.595 2.407 2.835 . 0 0 "[ . 1 . 2]" 2
50 1 33 LEU H 1 33 LEU HB3 . . 3.850 3.706 3.684 3.735 . 0 0 "[ . 1 . 2]" 2
51 1 33 LEU H 1 33 LEU MD2 . . 4.130 3.363 2.973 3.584 . 0 0 "[ . 1 . 2]" 2
52 1 29 LEU QD 1 33 LEU H . . 4.270 3.805 3.544 3.928 . 0 0 "[ . 1 . 2]" 2
53 1 34 SER HA 1 35 LEU H . . 2.940 2.298 2.211 2.490 . 0 0 "[ . 1 . 2]" 2
54 1 35 LEU H 1 35 LEU HB2 . . 3.410 2.808 2.688 2.936 . 0 0 "[ . 1 . 2]" 2
55 1 35 LEU H 1 35 LEU HG . . 3.220 2.917 2.690 3.170 . 0 0 "[ . 1 . 2]" 2
56 1 35 LEU H 1 35 LEU MD1 . . 3.950 3.998 3.627 4.175 0.225 2 0 "[ . 1 . 2]" 2
57 1 17 LYS HA 1 18 GLU H . . 2.670 2.272 2.142 2.556 . 0 0 "[ . 1 . 2]" 2
58 1 18 GLU H 1 18 GLU HG3 . . 4.220 3.190 1.908 3.763 . 0 0 "[ . 1 . 2]" 2
59 1 18 GLU H 1 18 GLU QB . . 3.180 2.594 2.155 2.940 . 0 0 "[ . 1 . 2]" 2
60 1 17 LYS QG 1 18 GLU H . . 4.400 3.998 3.311 4.336 . 0 0 "[ . 1 . 2]" 2
61 1 16 VAL MG2 1 18 GLU H . . 5.050 4.507 3.354 5.164 0.114 11 0 "[ . 1 . 2]" 2
62 1 47 THR H 1 48 ALA H . . 3.780 2.725 2.621 2.840 . 0 0 "[ . 1 . 2]" 2
63 1 48 ALA H 1 49 ASN H . . 3.860 2.590 2.379 2.870 . 0 0 "[ . 1 . 2]" 2
64 1 46 LEU HA 1 48 ALA H . . 5.010 4.424 3.914 4.750 . 0 0 "[ . 1 . 2]" 2
65 1 14 VAL H 1 15 ASN H . . 4.450 4.288 4.029 4.456 0.006 3 0 "[ . 1 . 2]" 2
66 1 14 VAL HA 1 15 ASN H . . 3.160 2.174 2.141 2.247 . 0 0 "[ . 1 . 2]" 2
67 1 15 ASN H 1 15 ASN HB2 . . 4.140 3.237 2.204 4.079 . 0 0 "[ . 1 . 2]" 2
68 1 15 ASN H 1 15 ASN HB3 . . 4.140 3.225 2.299 3.931 . 0 0 "[ . 1 . 2]" 2
69 1 14 VAL HB 1 15 ASN H . . 4.570 4.330 3.939 4.470 . 0 0 "[ . 1 . 2]" 2
70 1 17 LYS QD 1 18 GLU H . . 5.490 4.705 2.976 5.334 . 0 0 "[ . 1 . 2]" 2
71 1 32 PRO HA 1 43 GLN H . . 4.020 3.713 3.471 3.875 . 0 0 "[ . 1 . 2]" 2
72 1 43 GLN H 1 43 GLN HB2 . . 3.380 2.576 2.513 2.657 . 0 0 "[ . 1 . 2]" 2
73 1 43 GLN H 1 43 GLN HB3 . . 3.360 2.485 2.400 2.545 . 0 0 "[ . 1 . 2]" 2
74 1 43 GLN H 1 46 LEU MD1 . . 4.390 4.346 4.276 4.406 0.016 18 0 "[ . 1 . 2]" 2
75 1 43 GLN H 1 44 ALA H . . 3.880 2.781 2.704 2.843 . 0 0 "[ . 1 . 2]" 2
76 1 42 CYS HA 1 43 GLN H . . 3.200 2.185 2.156 2.217 . 0 0 "[ . 1 . 2]" 2
77 1 42 CYS HB3 1 43 GLN H . . 3.530 3.102 2.957 3.262 . 0 0 "[ . 1 . 2]" 2
78 1 33 LEU HG 1 43 GLN H . . 4.340 3.269 2.983 3.584 . 0 0 "[ . 1 . 2]" 2
79 1 33 LEU MD1 1 43 GLN H . . 4.260 3.823 3.676 4.081 . 0 0 "[ . 1 . 2]" 2
80 1 42 CYS HB2 1 44 ALA H . . 4.230 3.198 3.109 3.245 . 0 0 "[ . 1 . 2]" 2
81 1 19 GLU H 1 20 VAL QG . . 3.870 4.234 3.479 4.707 0.837 19 10 "[ -*** * *** . *+2]" 2
82 1 79 HIS HA 1 80 VAL H . . 3.210 2.333 2.141 2.802 . 0 0 "[ . 1 . 2]" 2
83 1 80 VAL H 1 80 VAL HB . . 4.060 3.497 2.601 3.835 . 0 0 "[ . 1 . 2]" 2
84 1 36 ASP H 1 37 CYS HB3 . . 4.970 4.315 4.102 4.675 . 0 0 "[ . 1 . 2]" 2
85 1 35 LEU HB2 1 36 ASP H . . 4.040 3.233 2.951 3.500 . 0 0 "[ . 1 . 2]" 2
86 1 36 ASP H 1 36 ASP QB . . 3.340 2.541 2.263 2.971 . 0 0 "[ . 1 . 2]" 2
87 1 35 LEU HB3 1 36 ASP H . . 3.770 2.229 2.008 2.436 . 0 0 "[ . 1 . 2]" 2
88 1 41 PHE HA 1 42 CYS H . . 3.170 2.572 2.516 2.628 . 0 0 "[ . 1 . 2]" 2
89 1 31 GLN H 1 32 PRO HD2 . . 4.170 3.487 2.499 3.882 . 0 0 "[ . 1 . 2]" 2
90 1 41 PHE HB3 1 42 CYS H . . 3.300 2.131 2.024 2.230 . 0 0 "[ . 1 . 2]" 2
91 1 22 CYS QB 1 42 CYS H . . 3.730 4.183 4.044 4.271 0.541 14 6 "[ .* 1- +* **]" 2
92 1 42 CYS H 1 45 CYS QB . . 4.230 2.393 2.334 2.474 . 0 0 "[ . 1 . 2]" 2
93 1 41 PHE HB2 1 42 CYS H . . 4.100 3.223 3.144 3.342 . 0 0 "[ . 1 . 2]" 2
94 1 23 PRO QD 1 42 CYS H . . 4.540 4.420 4.345 4.465 . 0 0 "[ . 1 . 2]" 2
95 1 19 GLU H 1 19 GLU HG3 . . 3.910 3.386 2.722 3.788 . 0 0 "[ . 1 . 2]" 2
96 1 19 GLU H 1 19 GLU HB3 . . 3.030 2.707 2.494 3.008 . 0 0 "[ . 1 . 2]" 2
97 1 58 GLY H 1 59 GLU H . . 4.220 2.943 1.951 4.267 0.047 6 0 "[ . 1 . 2]" 2
98 1 82 ASN HA 1 83 ILE H . . 3.180 2.272 2.140 2.730 . 0 0 "[ . 1 . 2]" 2
99 1 83 ILE H 1 83 ILE HB . . 3.540 2.895 2.499 3.757 0.217 13 0 "[ . 1 . 2]" 2
100 1 83 ILE H 1 83 ILE HG12 . . 4.240 3.305 2.050 4.102 . 0 0 "[ . 1 . 2]" 2
101 1 83 ILE H 1 83 ILE HG13 . . 4.240 2.837 1.909 3.983 . 0 0 "[ . 1 . 2]" 2
102 1 13 LEU HB3 1 14 VAL H . . 4.710 2.876 2.180 3.430 . 0 0 "[ . 1 . 2]" 2
103 1 13 LEU HA 1 14 VAL H . . 2.630 2.273 2.145 2.528 . 0 0 "[ . 1 . 2]" 2
104 1 14 VAL H 1 14 VAL HB . . 3.180 2.649 2.468 3.155 . 0 0 "[ . 1 . 2]" 2
105 1 78 ARG H 1 78 ARG QG . . 4.460 3.817 2.321 4.381 . 0 0 "[ . 1 . 2]" 2
106 1 54 MET H 1 55 LEU H . . 3.900 2.474 1.838 3.165 . 0 0 "[ . 1 . 2]" 2
107 1 54 MET QB 1 55 LEU H . . 3.720 2.723 2.047 3.270 . 0 0 "[ . 1 . 2]" 2
108 1 55 LEU H 1 55 LEU HB2 . . 3.650 2.978 2.209 3.707 0.057 18 0 "[ . 1 . 2]" 2
109 1 55 LEU H 1 55 LEU MD2 . . 4.270 3.079 1.799 4.337 0.067 17 0 "[ . 1 . 2]" 2
110 1 21 THR HA 1 28 LEU H . . 4.910 4.555 4.300 4.937 0.027 12 0 "[ . 1 . 2]" 2
111 1 21 THR MG 1 28 LEU H . . 3.710 3.657 3.523 3.746 0.036 11 0 "[ . 1 . 2]" 2
112 1 54 MET H 1 54 MET HG2 . . 4.730 3.915 1.890 4.751 0.021 20 0 "[ . 1 . 2]" 2
113 1 54 MET H 1 54 MET QB . . 3.810 2.373 2.114 2.639 . 0 0 "[ . 1 . 2]" 2
114 1 15 ASN HB2 1 16 VAL H . . 4.200 3.236 2.176 3.983 . 0 0 "[ . 1 . 2]" 2
115 1 15 ASN HB3 1 16 VAL H . . 4.200 3.269 2.182 4.154 . 0 0 "[ . 1 . 2]" 2
116 1 16 VAL H 1 16 VAL HB . . 3.190 3.594 3.145 3.847 0.657 8 8 "[ ** + 1** ** - 2]" 2
117 1 16 VAL H 1 16 VAL MG1 . . 2.970 2.177 1.788 2.726 . 0 0 "[ . 1 . 2]" 2
118 1 27 GLU HA 1 28 LEU H . . 2.900 3.162 2.365 3.565 0.665 19 13 "[** ***** *- *** +2]" 2
119 1 27 GLU HB2 1 28 LEU H . . 3.820 2.576 1.944 3.571 . 0 0 "[ . 1 . 2]" 2
120 1 28 LEU H 1 28 LEU QB . . 2.850 2.607 2.129 2.868 0.018 7 0 "[ . 1 . 2]" 2
121 1 19 GLU HG3 1 20 VAL H . . 4.530 2.523 1.889 3.787 . 0 0 "[ . 1 . 2]" 2
122 1 20 VAL H 1 20 VAL HB . . 3.310 2.689 2.509 2.824 . 0 0 "[ . 1 . 2]" 2
123 1 18 GLU QB 1 20 VAL H . . 3.750 3.101 2.626 3.699 . 0 0 "[ . 1 . 2]" 2
124 1 19 GLU HB3 1 20 VAL H . . 4.230 3.916 3.753 3.996 . 0 0 "[ . 1 . 2]" 2
125 1 20 VAL H 1 20 VAL QG . . 2.950 2.524 2.006 2.824 . 0 0 "[ . 1 . 2]" 2
126 1 42 CYS HB3 1 46 LEU H . . 5.500 4.670 4.617 4.737 . 0 0 "[ . 1 . 2]" 2
127 1 21 THR HA 1 27 GLU H . . 5.370 4.939 4.753 5.110 . 0 0 "[ . 1 . 2]" 2
128 1 22 CYS HA 1 27 GLU H . . 5.500 5.180 4.753 5.418 . 0 0 "[ . 1 . 2]" 2
129 1 27 GLU H 1 29 LEU QD . . 4.840 4.810 4.547 5.155 0.315 19 0 "[ . 1 . 2]" 2
130 1 22 CYS QB 1 27 GLU H . . 3.500 2.530 2.131 2.734 . 0 0 "[ . 1 . 2]" 2
131 1 27 GLU H 1 27 GLU HG2 . . 3.810 3.195 2.549 3.617 . 0 0 "[ . 1 . 2]" 2
132 1 27 GLU H 1 27 GLU HB2 . . 3.110 2.521 2.377 2.662 . 0 0 "[ . 1 . 2]" 2
133 1 27 GLU H 1 27 GLU HB3 . . 3.840 3.694 3.613 3.763 . 0 0 "[ . 1 . 2]" 2
134 1 26 LEU HA 1 27 GLU H . . 3.540 2.825 2.697 2.965 . 0 0 "[ . 1 . 2]" 2
135 1 12 ILE H 1 13 LEU H . . 4.700 4.527 4.354 4.597 . 0 0 "[ . 1 . 2]" 2
136 1 11 GLY QA 1 12 ILE H . . 2.980 2.612 2.410 2.908 . 0 0 "[ . 1 . 2]" 2
137 1 12 ILE H 1 12 ILE HG13 . . 3.810 2.465 1.884 2.863 . 0 0 "[ . 1 . 2]" 2
138 1 12 ILE H 1 12 ILE HG12 . . 3.810 2.588 1.927 3.577 . 0 0 "[ . 1 . 2]" 2
139 1 12 ILE H 1 12 ILE MG . . 3.730 2.814 2.331 3.788 0.058 4 0 "[ . 1 . 2]" 2
140 1 62 CYS H 1 69 TYR H . . 5.210 5.303 4.735 5.929 0.719 1 3 "[+ - . * . 2]" 2
141 1 69 TYR H 1 70 GLN H . . 5.480 4.274 3.715 4.612 . 0 0 "[ . 1 . 2]" 2
142 1 69 TYR H 1 69 TYR QD . . 4.320 2.316 1.929 4.301 . 0 0 "[ . 1 . 2]" 2
143 1 49 ASN HB3 1 50 HIS H . . 4.990 2.657 2.315 3.195 . 0 0 "[ . 1 . 2]" 2
144 1 51 LYS H 1 52 LYS H . . 4.000 2.634 2.403 2.884 . 0 0 "[ . 1 . 2]" 2
145 1 51 LYS QB 1 52 LYS H . . 3.610 2.992 2.276 3.817 0.207 7 0 "[ . 1 . 2]" 2
146 1 51 LYS QD 1 52 LYS H . . 5.230 4.541 4.022 5.044 . 0 0 "[ . 1 . 2]" 2
147 1 52 LYS H 1 52 LYS QD . . 5.430 4.411 3.899 4.698 . 0 0 "[ . 1 . 2]" 2
148 1 52 LYS H 1 52 LYS HG2 . . 4.570 4.239 3.410 4.596 0.026 15 0 "[ . 1 . 2]" 2
149 1 50 HIS H 1 51 LYS H . . 4.290 2.751 2.173 2.991 . 0 0 "[ . 1 . 2]" 2
150 1 48 ALA HA 1 51 LYS H . . 4.340 3.626 3.231 3.838 . 0 0 "[ . 1 . 2]" 2
151 1 50 HIS HB2 1 51 LYS H . . 4.080 2.522 2.091 3.038 . 0 0 "[ . 1 . 2]" 2
152 1 50 HIS HB3 1 51 LYS H . . 4.080 3.443 3.130 3.794 . 0 0 "[ . 1 . 2]" 2
153 1 51 LYS H 1 51 LYS QB . . 3.170 2.397 2.182 2.610 . 0 0 "[ . 1 . 2]" 2
154 1 51 LYS H 1 51 LYS QD . . 4.790 3.391 2.098 4.080 . 0 0 "[ . 1 . 2]" 2
155 1 51 LYS H 1 51 LYS HG3 . . 4.170 2.873 1.992 4.109 . 0 0 "[ . 1 . 2]" 2
156 1 51 LYS H 1 51 LYS HG2 . . 4.170 3.288 1.914 4.193 0.023 5 0 "[ . 1 . 2]" 2
157 1 22 CYS QB 1 24 ILE H . . 4.550 3.229 3.213 3.257 . 0 0 "[ . 1 . 2]" 2
158 1 24 ILE H 1 41 PHE QD . . 4.270 4.054 4.016 4.088 . 0 0 "[ . 1 . 2]" 2
159 1 22 CYS HA 1 24 ILE H . . 4.470 3.558 3.530 3.568 . 0 0 "[ . 1 . 2]" 2
160 1 23 PRO QD 1 24 ILE H . . 3.750 2.915 2.883 2.947 . 0 0 "[ . 1 . 2]" 2
161 1 24 ILE H 1 24 ILE HB . . 3.360 2.427 2.392 2.461 . 0 0 "[ . 1 . 2]" 2
162 1 24 ILE H 1 24 ILE HG13 . . 3.920 3.054 2.976 3.205 . 0 0 "[ . 1 . 2]" 2
163 1 24 ILE H 1 24 ILE MG . . 3.810 3.711 3.664 3.737 . 0 0 "[ . 1 . 2]" 2
164 1 30 THR H 1 31 GLN H . . 4.460 2.634 2.138 4.194 . 0 0 "[ . 1 . 2]" 2
165 1 29 LEU HA 1 30 THR H . . 3.210 2.221 2.139 2.318 . 0 0 "[ . 1 . 2]" 2
166 1 55 LEU H 1 56 ASP H . . 3.850 2.344 1.961 2.807 . 0 0 "[ . 1 . 2]" 2
167 1 56 ASP H 1 56 ASP QB . . 3.310 2.260 2.144 2.582 . 0 0 "[ . 1 . 2]" 2
168 1 55 LEU HB2 1 56 ASP H . . 4.030 3.211 2.145 4.086 0.056 12 0 "[ . 1 . 2]" 2
169 1 56 ASP H 1 57 LYS H . . 3.820 2.813 2.391 3.154 . 0 0 "[ . 1 . 2]" 2
170 1 53 SER HA 1 56 ASP H . . 4.460 3.257 2.786 3.815 . 0 0 "[ . 1 . 2]" 2
171 1 55 LEU HB3 1 56 ASP H . . 4.030 3.810 3.160 4.125 0.095 19 0 "[ . 1 . 2]" 2
172 1 33 LEU MD2 1 77 ASN H . . 4.870 4.482 3.642 4.882 0.012 10 0 "[ . 1 . 2]" 2
173 1 76 PRO HB3 1 77 ASN H . . 4.580 3.487 3.173 4.512 . 0 0 "[ . 1 . 2]" 2
174 1 76 PRO QG 1 77 ASN H . . 4.870 4.049 3.297 4.589 . 0 0 "[ . 1 . 2]" 2
175 1 76 PRO HB2 1 77 ASN H . . 4.580 2.610 1.977 3.978 . 0 0 "[ . 1 . 2]" 2
176 1 76 PRO HA 1 77 ASN H . . 3.380 2.490 2.176 3.290 . 0 0 "[ . 1 . 2]" 2
177 1 24 ILE H 1 26 LEU H . . 3.840 2.881 2.820 2.978 . 0 0 "[ . 1 . 2]" 2
178 1 26 LEU H 1 27 GLU H . . 3.360 2.797 2.642 3.024 . 0 0 "[ . 1 . 2]" 2
179 1 26 LEU H 1 26 LEU HA . . 2.810 2.281 2.273 2.305 . 0 0 "[ . 1 . 2]" 2
180 1 22 CYS QB 1 26 LEU H . . 3.500 2.755 2.519 2.931 . 0 0 "[ . 1 . 2]" 2
181 1 25 CYS HB3 1 26 LEU H . . 4.470 4.271 4.182 4.342 . 0 0 "[ . 1 . 2]" 2
182 1 24 ILE HB 1 26 LEU H . . 4.440 4.140 4.108 4.165 . 0 0 "[ . 1 . 2]" 2
183 1 26 LEU H 1 26 LEU QB . . 3.870 3.344 3.276 3.399 . 0 0 "[ . 1 . 2]" 2
184 1 26 LEU H 1 26 LEU HG . . 3.810 2.873 2.576 3.193 . 0 0 "[ . 1 . 2]" 2
185 1 22 CYS QB 1 25 CYS H . . 3.980 2.990 2.939 3.055 . 0 0 "[ . 1 . 2]" 2
186 1 24 ILE H 1 25 CYS H . . 3.300 2.601 2.544 2.667 . 0 0 "[ . 1 . 2]" 2
187 1 25 CYS H 1 27 GLU H . . 4.280 4.122 3.805 4.299 0.019 14 0 "[ . 1 . 2]" 2
188 1 25 CYS H 1 25 CYS HB3 . . 3.620 2.734 2.700 2.776 . 0 0 "[ . 1 . 2]" 2
189 1 24 ILE HB 1 25 CYS H . . 3.320 2.139 2.080 2.227 . 0 0 "[ . 1 . 2]" 2
190 1 24 ILE HG12 1 25 CYS H . . 4.800 4.743 4.699 4.779 . 0 0 "[ . 1 . 2]" 2
191 1 24 ILE HG13 1 25 CYS H . . 4.790 4.396 4.347 4.477 . 0 0 "[ . 1 . 2]" 2
192 1 57 LYS H 1 58 GLY QA . . 4.850 4.081 3.787 4.704 . 0 0 "[ . 1 . 2]" 2
193 1 57 LYS H 1 57 LYS QB . . 3.750 2.703 2.397 3.150 . 0 0 "[ . 1 . 2]" 2
194 1 59 GLU HA 1 60 SER H . . 2.940 2.193 2.139 2.379 . 0 0 "[ . 1 . 2]" 2
195 1 59 GLU QG 1 60 SER H . . 4.110 4.125 3.573 4.406 0.296 11 0 "[ . 1 . 2]" 2
196 1 54 MET ME 1 60 SER H . . 4.680 2.966 1.823 3.659 . 0 0 "[ . 1 . 2]" 2
197 1 59 GLU HB3 1 60 SER H . . 4.350 3.588 2.707 4.342 . 0 0 "[ . 1 . 2]" 2
198 1 73 ASN H 1 74 ILE H . . 4.300 3.436 2.290 4.297 . 0 0 "[ . 1 . 2]" 2
199 1 49 ASN H 1 50 HIS H . . 4.120 2.706 2.349 2.978 . 0 0 "[ . 1 . 2]" 2
200 1 45 CYS HA 1 49 ASN H . . 4.750 3.912 3.536 4.430 . 0 0 "[ . 1 . 2]" 2
201 1 46 LEU HA 1 49 ASN H . . 4.150 3.536 3.223 4.002 . 0 0 "[ . 1 . 2]" 2
202 1 49 ASN H 1 49 ASN HB3 . . 3.550 2.619 2.318 3.003 . 0 0 "[ . 1 . 2]" 2
203 1 49 ASN H 1 49 ASN HB2 . . 3.550 2.484 2.186 2.809 . 0 0 "[ . 1 . 2]" 2
204 1 33 LEU HB2 1 34 SER H . . 4.230 3.396 3.077 3.604 . 0 0 "[ . 1 . 2]" 2
205 1 33 LEU MD2 1 34 SER H . . 3.830 3.544 3.300 3.756 . 0 0 "[ . 1 . 2]" 2
206 1 33 LEU HA 1 34 SER H . . 2.910 2.447 2.346 2.624 . 0 0 "[ . 1 . 2]" 2
207 1 34 SER H 1 76 PRO HA . . 4.670 3.070 1.900 4.583 . 0 0 "[ . 1 . 2]" 2
208 1 34 SER H 1 34 SER HB3 . . 3.390 2.588 2.440 2.702 . 0 0 "[ . 1 . 2]" 2
209 1 33 LEU HB3 1 34 SER H . . 3.880 2.366 2.041 2.595 . 0 0 "[ . 1 . 2]" 2
210 1 33 LEU HB2 1 41 PHE H . . 4.190 3.493 3.149 3.830 . 0 0 "[ . 1 . 2]" 2
211 1 41 PHE H 1 46 LEU MD1 . . 4.770 3.423 3.325 3.541 . 0 0 "[ . 1 . 2]" 2
212 1 41 PHE H 1 46 LEU MD2 . . 4.890 5.123 5.055 5.196 0.306 12 0 "[ . 1 . 2]" 2
213 1 84 VAL HA 1 85 GLU H . . 3.150 2.289 2.142 2.788 . 0 0 "[ . 1 . 2]" 2
214 1 84 VAL MG1 1 85 GLU H . . 5.150 3.695 2.325 4.319 . 0 0 "[ . 1 . 2]" 2
215 1 84 VAL MG2 1 85 GLU H . . 5.150 3.422 1.895 4.314 . 0 0 "[ . 1 . 2]" 2
216 1 33 LEU H 1 41 PHE H . . 3.820 2.208 2.015 2.403 . 0 0 "[ . 1 . 2]" 2
217 1 41 PHE H 1 41 PHE QD . . 3.540 2.970 2.868 3.052 . 0 0 "[ . 1 . 2]" 2
218 1 40 SER HA 1 41 PHE H . . 3.100 2.391 2.320 2.440 . 0 0 "[ . 1 . 2]" 2
219 1 32 PRO HA 1 41 PHE H . . 4.190 3.906 3.658 4.172 . 0 0 "[ . 1 . 2]" 2
220 1 40 SER HB3 1 41 PHE H . . 3.610 2.678 2.590 2.831 . 0 0 "[ . 1 . 2]" 2
221 1 41 PHE H 1 41 PHE HB2 . . 3.800 3.014 2.960 3.045 . 0 0 "[ . 1 . 2]" 2
222 1 60 SER HA 1 61 SER H . . 3.300 2.379 2.160 2.649 . 0 0 "[ . 1 . 2]" 2
223 1 60 SER QB 1 61 SER H . . 4.540 2.862 2.091 4.006 . 0 0 "[ . 1 . 2]" 2
224 1 21 THR H 1 22 CYS H . . 4.670 4.482 4.447 4.511 . 0 0 "[ . 1 . 2]" 2
225 1 20 VAL HA 1 21 THR H . . 3.090 2.144 2.139 2.154 . 0 0 "[ . 1 . 2]" 2
226 1 21 THR H 1 21 THR HB . . 3.350 2.747 2.669 2.845 . 0 0 "[ . 1 . 2]" 2
227 1 20 VAL HB 1 21 THR H . . 4.020 4.211 4.059 4.332 0.312 1 0 "[ . 1 . 2]" 2
228 1 20 VAL H 1 21 THR H . . 3.230 4.309 4.072 4.521 1.291 2 20 [*+*****************-] 2
229 1 40 SER H 1 41 PHE H . . 4.680 4.554 4.524 4.573 . 0 0 "[ . 1 . 2]" 2
230 1 34 SER HA 1 40 SER H . . 5.500 5.489 5.295 5.534 0.034 5 0 "[ . 1 . 2]" 2
231 1 40 SER H 1 41 PHE HA . . 5.500 5.246 5.130 5.318 . 0 0 "[ . 1 . 2]" 2
232 1 35 LEU MD1 1 40 SER H . . 4.640 4.878 4.588 4.971 0.331 9 0 "[ . 1 . 2]" 2
233 1 39 HIS HD2 1 40 SER H . . 4.140 4.216 4.069 4.346 0.206 18 0 "[ . 1 . 2]" 2
234 1 40 SER H 1 40 SER HG . . 4.400 2.862 1.907 3.489 . 0 0 "[ . 1 . 2]" 2
235 1 39 HIS HA 1 40 SER H . . 2.850 2.178 2.146 2.224 . 0 0 "[ . 1 . 2]" 2
236 1 40 SER H 1 40 SER HB3 . . 3.720 3.672 3.632 3.739 0.019 5 0 "[ . 1 . 2]" 2
237 1 39 HIS HB3 1 40 SER H . . 3.540 3.142 2.933 3.342 . 0 0 "[ . 1 . 2]" 2
238 1 35 LEU H 1 37 CYS H . . 4.770 4.052 3.794 4.274 . 0 0 "[ . 1 . 2]" 2
239 1 35 LEU MD1 1 37 CYS H . . 4.470 4.098 3.934 4.367 . 0 0 "[ . 1 . 2]" 2
240 1 36 ASP H 1 37 CYS H . . 3.700 2.769 2.516 3.075 . 0 0 "[ . 1 . 2]" 2
241 1 37 CYS H 1 38 GLY H . . 3.220 1.977 1.786 2.117 . 0 0 "[ . 1 . 2]" 2
242 1 37 CYS H 1 37 CYS HB3 . . 3.740 2.899 2.713 3.065 . 0 0 "[ . 1 . 2]" 2
243 1 36 ASP QB 1 37 CYS H . . 4.020 3.778 3.170 4.042 0.022 12 0 "[ . 1 . 2]" 2
244 1 35 LEU HB2 1 37 CYS H . . 3.720 2.560 2.333 2.775 . 0 0 "[ . 1 . 2]" 2
245 1 35 LEU HB3 1 37 CYS H . . 3.660 3.096 2.678 3.472 . 0 0 "[ . 1 . 2]" 2
246 1 52 LYS H 1 53 SER H . . 3.880 2.846 2.332 3.150 . 0 0 "[ . 1 . 2]" 2
247 1 53 SER H 1 60 SER HA . . 4.520 4.508 4.382 4.568 0.048 14 0 "[ . 1 . 2]" 2
248 1 53 SER H 1 53 SER QB . . 3.270 2.390 2.158 2.727 . 0 0 "[ . 1 . 2]" 2
249 1 52 LYS HB2 1 53 SER H . . 4.180 3.619 3.183 4.103 . 0 0 "[ . 1 . 2]" 2
250 1 52 LYS HB3 1 53 SER H . . 4.180 2.461 1.925 3.784 . 0 0 "[ . 1 . 2]" 2
251 1 46 LEU H 1 47 THR H . . 3.600 2.712 2.603 2.819 . 0 0 "[ . 1 . 2]" 2
252 1 47 THR H 1 47 THR HB . . 3.280 2.508 2.277 2.580 . 0 0 "[ . 1 . 2]" 2
253 1 46 LEU HB2 1 47 THR H . . 3.720 2.737 2.683 2.827 . 0 0 "[ . 1 . 2]" 2
254 1 46 LEU HB3 1 47 THR H . . 3.980 3.099 2.980 3.239 . 0 0 "[ . 1 . 2]" 2
255 1 47 THR H 1 47 THR MG . . 3.800 3.710 2.711 3.768 . 0 0 "[ . 1 . 2]" 2
256 1 46 LEU MD1 1 47 THR H . . 4.650 4.483 4.411 4.573 . 0 0 "[ . 1 . 2]" 2
257 1 44 ALA HA 1 47 THR H . . 4.000 3.369 3.233 3.456 . 0 0 "[ . 1 . 2]" 2
258 1 43 GLN HA 1 47 THR H . . 5.120 4.763 4.630 4.858 . 0 0 "[ . 1 . 2]" 2
259 1 46 LEU MD2 1 47 THR H . . 4.870 4.608 4.527 4.699 . 0 0 "[ . 1 . 2]" 2
260 1 22 CYS H 1 27 GLU H . . 3.680 3.181 2.806 3.429 . 0 0 "[ . 1 . 2]" 2
261 1 22 CYS H 1 26 LEU H . . 4.350 4.213 3.990 4.375 0.025 11 0 "[ . 1 . 2]" 2
262 1 21 THR HA 1 22 CYS H . . 2.920 2.280 2.225 2.358 . 0 0 "[ . 1 . 2]" 2
263 1 22 CYS H 1 29 LEU HA . . 4.740 4.616 4.276 4.767 0.027 2 0 "[ . 1 . 2]" 2
264 1 22 CYS H 1 26 LEU HA . . 4.130 3.623 3.417 3.823 . 0 0 "[ . 1 . 2]" 2
265 1 22 CYS H 1 23 PRO QD . . 4.820 4.250 4.224 4.258 . 0 0 "[ . 1 . 2]" 2
266 1 22 CYS H 1 22 CYS QB . . 2.840 2.285 2.268 2.311 . 0 0 "[ . 1 . 2]" 2
267 1 22 CYS H 1 27 GLU HB2 . . 4.610 4.769 4.360 4.994 0.384 1 0 "[ . 1 . 2]" 2
268 1 22 CYS H 1 29 LEU HG . . 4.030 2.428 2.281 2.735 . 0 0 "[ . 1 . 2]" 2
269 1 21 THR MG 1 22 CYS H . . 3.340 2.014 1.896 2.129 . 0 0 "[ . 1 . 2]" 2
270 1 22 CYS H 1 29 LEU QD . . 4.020 3.267 3.103 3.520 . 0 0 "[ . 1 . 2]" 2
271 1 80 VAL HB 1 81 ALA H . . 4.370 3.167 2.091 4.352 . 0 0 "[ . 1 . 2]" 2
272 1 80 VAL MG1 1 81 ALA H . . 4.770 3.454 1.965 4.336 . 0 0 "[ . 1 . 2]" 2
273 1 80 VAL MG2 1 81 ALA H . . 4.770 3.550 1.966 4.049 . 0 0 "[ . 1 . 2]" 2
274 1 80 VAL H 1 81 ALA H . . 4.710 4.294 3.056 4.569 . 0 0 "[ . 1 . 2]" 2
275 1 80 VAL HA 1 81 ALA H . . 3.130 2.339 2.141 2.659 . 0 0 "[ . 1 . 2]" 2
276 1 81 ALA H 1 81 ALA MB . . 3.530 2.315 2.025 2.737 . 0 0 "[ . 1 . 2]" 2
277 1 35 LEU H 1 36 ASP H . . 4.680 4.422 4.372 4.465 . 0 0 "[ . 1 . 2]" 2
278 1 44 ALA H 1 45 CYS H . . 4.580 2.399 2.281 2.480 . 0 0 "[ . 1 . 2]" 2
279 1 24 ILE MD 1 49 ASN H . . 5.100 4.037 3.878 4.216 . 0 0 "[ . 1 . 2]" 2
280 1 43 GLN HA 1 43 GLN HE21 . . 4.690 3.413 2.427 4.544 . 0 0 "[ . 1 . 2]" 2
281 1 33 LEU HG 1 43 GLN HE21 . . 5.310 5.175 4.717 5.514 0.204 19 0 "[ . 1 . 2]" 2
282 1 33 LEU MD2 1 43 GLN HE22 . . 4.630 3.827 3.400 4.115 . 0 0 "[ . 1 . 2]" 2
283 1 25 CYS H 1 26 LEU HG . . 4.830 4.517 4.256 4.883 0.053 3 0 "[ . 1 . 2]" 2
284 1 24 ILE MG 1 26 LEU H . . 4.220 4.210 4.140 4.250 0.030 13 0 "[ . 1 . 2]" 2
285 1 25 CYS HB3 1 27 GLU H . . 4.800 4.677 4.476 4.896 0.096 19 0 "[ . 1 . 2]" 2
286 1 26 LEU QB 1 27 GLU H . . 4.540 3.829 3.738 3.881 . 0 0 "[ . 1 . 2]" 2
287 1 26 LEU HG 1 27 GLU H . . 5.500 4.963 4.817 5.122 . 0 0 "[ . 1 . 2]" 2
288 1 27 GLU H 1 29 LEU HG . . 5.500 5.026 4.690 5.298 . 0 0 "[ . 1 . 2]" 2
289 1 29 LEU HB2 1 30 THR H . . 4.660 4.565 4.462 4.605 . 0 0 "[ . 1 . 2]" 2
290 1 30 THR H 1 30 THR HG1 . . 4.870 3.633 2.022 4.640 . 0 0 "[ . 1 . 2]" 2
291 1 35 LEU MD1 1 36 ASP H . . 4.910 4.310 4.102 4.453 . 0 0 "[ . 1 . 2]" 2
292 1 37 CYS H 1 67 ILE MG . . 4.880 4.201 3.763 4.743 . 0 0 "[ . 1 . 2]" 2
293 1 37 CYS HB3 1 38 GLY H . . 4.810 3.840 3.731 4.007 . 0 0 "[ . 1 . 2]" 2
294 1 41 PHE H 1 41 PHE HB3 . . 4.120 3.984 3.956 3.999 . 0 0 "[ . 1 . 2]" 2
295 1 20 VAL QG 1 41 PHE H . . 5.340 5.419 5.285 5.549 0.209 16 0 "[ . 1 . 2]" 2
296 1 33 LEU HB3 1 41 PHE H . . 5.450 4.993 4.637 5.311 . 0 0 "[ . 1 . 2]" 2
297 1 42 CYS H 1 46 LEU HB2 . . 5.500 4.790 4.683 4.928 . 0 0 "[ . 1 . 2]" 2
298 1 47 THR H 1 49 ASN H . . 4.700 4.211 3.871 4.656 . 0 0 "[ . 1 . 2]" 2
299 1 18 GLU H 1 18 GLU HG2 . . 4.220 2.586 1.884 3.761 . 0 0 "[ . 1 . 2]" 2
300 1 29 LEU QD 1 43 GLN H . . 4.440 4.519 4.357 4.576 0.136 6 0 "[ . 1 . 2]" 2
301 1 11 GLY H 1 12 ILE H . . 4.920 3.337 2.776 3.783 . 0 0 "[ . 1 . 2]" 2
302 1 10 SER HA 1 12 ILE H . . 4.880 4.171 3.019 4.875 . 0 0 "[ . 1 . 2]" 2
303 1 13 LEU HG 1 14 VAL H . . 5.180 4.366 3.572 5.336 0.156 4 0 "[ . 1 . 2]" 2
304 1 18 GLU HA 1 19 GLU H . . 3.390 2.241 2.140 2.406 . 0 0 "[ . 1 . 2]" 2
305 1 19 GLU H 1 20 VAL H . . 3.840 2.632 2.036 3.162 . 0 0 "[ . 1 . 2]" 2
306 1 49 ASN HA 1 52 LYS H . . 4.880 3.487 3.006 3.968 . 0 0 "[ . 1 . 2]" 2
307 1 52 LYS H 1 52 LYS HG3 . . 4.570 4.239 2.426 4.691 0.121 2 0 "[ . 1 . 2]" 2
308 1 54 MET HG2 1 55 LEU H . . 5.150 4.686 3.965 5.189 0.039 15 0 "[ . 1 . 2]" 2
309 1 56 ASP HA 1 58 GLY H . . 5.500 5.304 3.715 5.547 0.047 16 0 "[ . 1 . 2]" 2
310 1 59 GLU H 1 60 SER H . . 4.900 4.379 3.858 4.582 . 0 0 "[ . 1 . 2]" 2
311 1 42 CYS H 1 42 CYS HB2 . . 3.450 2.442 2.394 2.471 . 0 0 "[ . 1 . 2]" 2
312 1 49 ASN H 1 51 LYS QB . . 5.500 5.380 5.099 5.516 0.016 7 0 "[ . 1 . 2]" 2
313 1 72 GLU H 1 73 ASN H . . 4.870 2.691 2.025 4.502 . 0 0 "[ . 1 . 2]" 2
314 1 52 LYS QD 1 53 SER H . . 5.130 3.466 2.768 4.552 . 0 0 "[ . 1 . 2]" 2
315 1 55 LEU H 1 55 LEU HB3 . . 3.650 3.234 2.317 3.705 0.055 17 0 "[ . 1 . 2]" 2
316 1 60 SER H 1 60 SER HG . . 4.610 3.491 2.178 4.549 . 0 0 "[ . 1 . 2]" 2
317 1 33 LEU H 1 42 CYS HA . . 4.730 4.044 3.811 4.238 . 0 0 "[ . 1 . 2]" 2
318 1 35 LEU HA 1 37 CYS H . . 4.390 4.106 3.901 4.326 . 0 0 "[ . 1 . 2]" 2
319 1 35 LEU H 1 39 HIS H . . 4.640 3.828 3.420 5.267 0.627 3 1 "[ + . 1 . 2]" 2
320 1 40 SER H 1 40 SER HB2 . . 3.540 2.876 2.838 2.910 . 0 0 "[ . 1 . 2]" 2
321 1 80 VAL HA 1 81 ALA MB . . 4.660 3.897 3.679 4.093 . 0 0 "[ . 1 . 2]" 2
322 1 44 ALA MB 1 45 CYS QB . . 5.270 4.220 4.170 4.274 . 0 0 "[ . 1 . 2]" 2
323 1 43 GLN H 1 44 ALA MB . . 4.790 4.451 4.360 4.550 . 0 0 "[ . 1 . 2]" 2
324 1 44 ALA MB 1 47 THR H . . 4.890 4.515 4.385 4.587 . 0 0 "[ . 1 . 2]" 2
325 1 44 ALA MB 1 45 CYS HA . . 4.120 3.645 3.589 3.696 . 0 0 "[ . 1 . 2]" 2
326 1 42 CYS HB2 1 44 ALA MB . . 3.930 3.766 3.656 3.878 . 0 0 "[ . 1 . 2]" 2
327 1 43 GLN HB3 1 44 ALA MB . . 4.150 3.928 3.878 3.985 . 0 0 "[ . 1 . 2]" 2
328 1 44 ALA MB 1 47 THR HB . . 4.380 4.115 4.008 4.425 0.045 7 0 "[ . 1 . 2]" 2
329 1 47 THR H 1 48 ALA MB . . 4.750 4.368 4.231 4.470 . 0 0 "[ . 1 . 2]" 2
330 1 45 CYS H 1 48 ALA MB . . 5.220 4.763 4.439 4.980 . 0 0 "[ . 1 . 2]" 2
331 1 46 LEU H 1 48 ALA MB . . 5.500 4.898 4.743 5.062 . 0 0 "[ . 1 . 2]" 2
332 1 48 ALA MB 1 49 ASN H . . 3.450 2.589 2.240 2.988 . 0 0 "[ . 1 . 2]" 2
333 1 48 ALA H 1 48 ALA MB . . 2.950 2.146 2.028 2.271 . 0 0 "[ . 1 . 2]" 2
334 1 48 ALA MB 1 49 ASN HA . . 4.210 3.754 3.636 3.923 . 0 0 "[ . 1 . 2]" 2
335 1 45 CYS HA 1 48 ALA MB . . 3.180 2.809 2.611 2.994 . 0 0 "[ . 1 . 2]" 2
336 1 48 ALA MB 1 51 LYS QE . . 5.180 4.373 2.439 4.924 . 0 0 "[ . 1 . 2]" 2
337 1 45 CYS QB 1 48 ALA MB . . 4.550 4.341 4.158 4.485 . 0 0 "[ . 1 . 2]" 2
338 1 48 ALA MB 1 49 ASN HB2 . . 4.530 4.085 3.891 4.342 . 0 0 "[ . 1 . 2]" 2
339 1 48 ALA MB 1 51 LYS QB . . 4.400 4.410 3.850 4.934 0.534 2 2 "[ + . 1 - 2]" 2
340 1 46 LEU HA 1 48 ALA MB . . 5.500 5.123 4.819 5.282 . 0 0 "[ . 1 . 2]" 2
341 1 47 THR HA 1 48 ALA MB . . 5.500 5.017 4.970 5.036 . 0 0 "[ . 1 . 2]" 2
342 1 48 ALA MB 1 49 ASN HB3 . . 4.530 4.739 4.494 4.939 0.409 11 0 "[ . 1 . 2]" 2
343 1 34 SER H 1 74 ILE MG . . 5.340 3.922 3.321 4.268 . 0 0 "[ . 1 . 2]" 2
344 1 74 ILE H 1 74 ILE MG . . 4.400 3.888 3.774 3.974 . 0 0 "[ . 1 . 2]" 2
345 1 74 ILE MG 1 75 ARG QG . . 4.950 4.053 3.689 4.458 . 0 0 "[ . 1 . 2]" 2
346 1 74 ILE HG12 1 74 ILE MG . . 3.330 2.403 2.000 3.200 . 0 0 "[ . 1 . 2]" 2
347 1 74 ILE HG13 1 74 ILE MG . . 3.330 3.092 2.448 3.203 . 0 0 "[ . 1 . 2]" 2
348 1 41 PHE HB2 1 46 LEU HB2 . . 4.420 3.967 3.921 4.023 . 0 0 "[ . 1 . 2]" 2
349 1 58 GLY QA 1 59 GLU QG . . 4.440 4.028 3.526 4.418 . 0 0 "[ . 1 . 2]" 2
350 1 57 LYS QB 1 58 GLY QA . . 4.460 3.978 3.717 4.463 0.003 15 0 "[ . 1 . 2]" 2
351 1 12 ILE MG 1 13 LEU H . . 3.940 3.564 2.165 3.941 0.001 14 0 "[ . 1 . 2]" 2
352 1 10 SER HA 1 12 ILE MG . . 4.620 4.301 3.321 5.613 0.993 1 4 "[+* *. - 1 . 2]" 2
353 1 12 ILE HA 1 12 ILE MG . . 3.340 2.305 2.151 2.448 . 0 0 "[ . 1 . 2]" 2
354 1 83 ILE HA 1 83 ILE MG . . 3.630 2.344 2.226 2.439 . 0 0 "[ . 1 . 2]" 2
355 1 83 ILE H 1 83 ILE MG . . 4.370 3.587 2.536 3.920 . 0 0 "[ . 1 . 2]" 2
356 1 83 ILE MG 1 84 VAL HB . . 5.080 4.955 3.384 5.642 0.562 11 1 "[ . 1+ . 2]" 2
357 1 11 GLY QA 1 12 ILE HG13 . . 5.500 4.665 4.165 5.117 . 0 0 "[ . 1 . 2]" 2
358 1 57 LYS QG 1 58 GLY QA . . 5.500 4.917 3.531 5.581 0.081 15 0 "[ . 1 . 2]" 2
359 1 11 GLY QA 1 12 ILE MG . . 4.310 4.178 3.719 5.325 1.015 1 3 "[+* -. 1 . 2]" 2
360 1 67 ILE H 1 67 ILE MG . . 4.420 2.417 1.981 3.717 . 0 0 "[ . 1 . 2]" 2
361 1 37 CYS HA 1 67 ILE MG . . 4.690 3.410 2.707 4.226 . 0 0 "[ . 1 . 2]" 2
362 1 37 CYS HB3 1 67 ILE MG . . 4.160 2.026 1.806 3.067 . 0 0 "[ . 1 . 2]" 2
363 1 37 CYS HB2 1 67 ILE MG . . 4.090 2.691 1.901 4.018 . 0 0 "[ . 1 . 2]" 2
364 1 67 ILE HG13 1 67 ILE MG . . 3.720 3.043 2.362 3.199 . 0 0 "[ . 1 . 2]" 2
365 1 67 ILE HG12 1 67 ILE MG . . 3.720 2.330 2.131 3.202 . 0 0 "[ . 1 . 2]" 2
366 1 24 ILE MG 1 25 CYS H . . 3.410 2.387 2.280 2.525 . 0 0 "[ . 1 . 2]" 2
367 1 24 ILE HA 1 24 ILE MG . . 2.870 2.530 2.501 2.564 . 0 0 "[ . 1 . 2]" 2
368 1 24 ILE MG 1 45 CYS HA . . 3.740 3.279 3.216 3.351 . 0 0 "[ . 1 . 2]" 2
369 1 24 ILE MG 1 45 CYS QB . . 3.570 2.038 1.961 2.073 . 0 0 "[ . 1 . 2]" 2
370 1 24 ILE HG12 1 24 ILE MG . . 3.200 2.225 2.205 2.245 . 0 0 "[ . 1 . 2]" 2
371 1 24 ILE HG13 1 24 ILE MG . . 3.200 3.151 3.137 3.167 . 0 0 "[ . 1 . 2]" 2
372 1 35 LEU HB2 1 41 PHE QD . . 5.260 5.011 4.706 5.327 0.067 10 0 "[ . 1 . 2]" 2
373 1 37 CYS H 1 38 GLY HA3 . . 5.170 4.658 4.484 4.857 . 0 0 "[ . 1 . 2]" 2
374 1 37 CYS H 1 38 GLY HA2 . . 5.170 4.203 4.008 4.484 . 0 0 "[ . 1 . 2]" 2
375 1 54 MET HA 1 54 MET ME . . 3.880 2.666 1.832 3.212 . 0 0 "[ . 1 . 2]" 2
376 1 51 LYS HA 1 54 MET ME . . 4.930 3.251 2.343 4.040 . 0 0 "[ . 1 . 2]" 2
377 1 33 LEU HB2 1 74 ILE MG . . 4.230 4.361 3.624 4.510 0.280 4 0 "[ . 1 . 2]" 2
378 1 33 LEU HB2 1 46 LEU MD2 . . 4.590 4.413 4.177 4.535 . 0 0 "[ . 1 . 2]" 2
379 1 32 PRO HA 1 33 LEU HB2 . . 4.890 4.853 4.701 5.002 0.112 19 0 "[ . 1 . 2]" 2
380 1 33 LEU HB2 1 43 GLN HA . . 4.780 4.527 4.327 4.837 0.057 15 0 "[ . 1 . 2]" 2
381 1 33 LEU HB3 1 46 LEU MD1 . . 4.280 3.431 3.121 3.648 . 0 0 "[ . 1 . 2]" 2
382 1 78 ARG QD 1 79 HIS H . . 5.350 3.914 2.283 5.028 . 0 0 "[ . 1 . 2]" 2
383 1 78 ARG HA 1 78 ARG QD . . 3.950 3.356 2.022 4.281 0.331 12 0 "[ . 1 . 2]" 2
384 1 78 ARG HB3 1 78 ARG QD . . 3.730 2.699 2.194 3.502 . 0 0 "[ . 1 . 2]" 2
385 1 21 THR HB 1 22 CYS H . . 3.480 3.717 3.476 3.851 0.371 6 0 "[ . 1 . 2]" 2
386 1 21 THR HB 1 27 GLU H . . 4.890 5.849 5.433 6.091 1.201 10 20 [*********+*********-] 2
387 1 21 THR HB 1 26 LEU QB . . 4.900 5.442 5.154 5.599 0.699 19 15 "[****.** ** ** * **+-]" 2
388 1 21 THR HB 1 26 LEU MD2 . . 4.690 4.607 4.319 4.705 0.015 10 0 "[ . 1 . 2]" 2
389 1 22 CYS H 1 29 LEU HB2 . . 4.670 3.877 3.696 4.052 . 0 0 "[ . 1 . 2]" 2
390 1 20 VAL QG 1 29 LEU HB2 . . 3.960 2.120 1.979 2.357 . 0 0 "[ . 1 . 2]" 2
391 1 21 THR HA 1 29 LEU HB2 . . 4.220 2.970 2.848 3.052 . 0 0 "[ . 1 . 2]" 2
392 1 29 LEU HB2 1 32 PRO HD2 . . 5.500 5.559 5.484 5.630 0.130 7 0 "[ . 1 . 2]" 2
393 1 29 LEU HB2 1 32 PRO HD3 . . 4.780 4.229 4.129 4.376 . 0 0 "[ . 1 . 2]" 2
394 1 29 LEU HB2 1 32 PRO HB3 . . 4.080 4.102 3.592 4.488 0.408 19 0 "[ . 1 . 2]" 2
395 1 29 LEU H 1 29 LEU HB3 . . 3.850 3.571 3.453 3.668 . 0 0 "[ . 1 . 2]" 2
396 1 21 THR HA 1 29 LEU HB3 . . 5.480 4.679 4.548 4.773 . 0 0 "[ . 1 . 2]" 2
397 1 22 CYS HA 1 29 LEU HB3 . . 5.500 4.963 4.856 5.059 . 0 0 "[ . 1 . 2]" 2
398 1 29 LEU HB3 1 32 PRO HD2 . . 4.620 3.972 3.905 4.032 . 0 0 "[ . 1 . 2]" 2
399 1 29 LEU HB3 1 32 PRO HB3 . . 3.970 2.584 2.045 2.970 . 0 0 "[ . 1 . 2]" 2
400 1 20 VAL QG 1 29 LEU HB3 . . 4.100 2.302 2.009 2.595 . 0 0 "[ . 1 . 2]" 2
401 1 66 ARG HA 1 66 ARG HD2 . . 4.000 3.202 2.001 4.014 0.014 13 0 "[ . 1 . 2]" 2
402 1 66 ARG HA 1 66 ARG HD3 . . 4.000 3.321 2.025 3.982 . 0 0 "[ . 1 . 2]" 2
403 1 63 PRO HA 1 66 ARG HD3 . . 4.580 3.317 2.386 4.545 . 0 0 "[ . 1 . 2]" 2
404 1 13 LEU HB2 1 14 VAL H . . 4.710 4.061 3.642 4.415 . 0 0 "[ . 1 . 2]" 2
405 1 13 LEU H 1 13 LEU HB3 . . 4.020 3.675 3.519 3.901 . 0 0 "[ . 1 . 2]" 2
406 1 52 LYS QE 1 53 SER H . . 5.500 4.407 3.057 5.242 . 0 0 "[ . 1 . 2]" 2
407 1 17 LYS HA 1 17 LYS QE . . 5.290 4.667 3.642 5.353 0.063 7 0 "[ . 1 . 2]" 2
408 1 57 LYS HA 1 57 LYS QE . . 5.500 4.455 3.554 4.982 . 0 0 "[ . 1 . 2]" 2
409 1 48 ALA HA 1 51 LYS QE . . 4.560 3.512 1.949 4.174 . 0 0 "[ . 1 . 2]" 2
410 1 52 LYS HA 1 52 LYS QE . . 4.780 3.397 2.003 4.415 . 0 0 "[ . 1 . 2]" 2
411 1 53 SER QB 1 57 LYS QE . . 5.020 4.880 3.573 5.506 0.486 3 0 "[ . 1 . 2]" 2
412 1 51 LYS QB 1 51 LYS QE . . 3.840 2.917 2.016 3.636 . 0 0 "[ . 1 . 2]" 2
413 1 57 LYS QB 1 57 LYS QE . . 4.150 2.810 1.993 3.756 . 0 0 "[ . 1 . 2]" 2
414 1 17 LYS QE 1 17 LYS QG . . 3.300 2.203 2.027 2.510 . 0 0 "[ . 1 . 2]" 2
415 1 27 GLU HB3 1 28 LEU QB . . 4.250 3.550 3.261 3.989 . 0 0 "[ . 1 . 2]" 2
416 1 28 LEU QB 1 28 LEU MD2 . . 3.200 2.072 2.036 2.098 . 0 0 "[ . 1 . 2]" 2
417 1 21 THR HA 1 28 LEU QB . . 5.280 4.633 4.438 4.787 . 0 0 "[ . 1 . 2]" 2
418 1 27 GLU HA 1 28 LEU QB . . 4.900 4.260 4.229 4.292 . 0 0 "[ . 1 . 2]" 2
419 1 30 THR HB 1 31 GLN H . . 4.490 3.383 1.899 4.393 . 0 0 "[ . 1 . 2]" 2
420 1 30 THR H 1 30 THR HB . . 4.030 2.811 2.629 3.087 . 0 0 "[ . 1 . 2]" 2
421 1 41 PHE HB3 1 46 LEU HB2 . . 4.550 4.400 4.341 4.444 . 0 0 "[ . 1 . 2]" 2
422 1 46 LEU H 1 46 LEU HB2 . . 3.920 2.145 2.122 2.165 . 0 0 "[ . 1 . 2]" 2
423 1 46 LEU HB2 1 46 LEU MD1 . . 3.480 2.214 2.157 2.240 . 0 0 "[ . 1 . 2]" 2
424 1 46 LEU H 1 46 LEU HB3 . . 4.070 3.465 3.442 3.483 . 0 0 "[ . 1 . 2]" 2
425 1 41 PHE HB3 1 46 LEU HB3 . . 5.210 5.294 5.200 5.352 0.142 17 0 "[ . 1 . 2]" 2
426 1 41 PHE HB2 1 46 LEU HB3 . . 4.630 4.669 4.652 4.714 0.084 2 0 "[ . 1 . 2]" 2
427 1 56 ASP QB 1 57 LYS H . . 3.810 2.089 1.882 2.343 . 0 0 "[ . 1 . 2]" 2
428 1 53 SER HA 1 56 ASP QB . . 3.890 2.730 1.952 3.590 . 0 0 "[ . 1 . 2]" 2
429 1 56 ASP QB 1 57 LYS QB . . 4.440 3.746 3.495 4.081 . 0 0 "[ . 1 . 2]" 2
430 1 56 ASP QB 1 57 LYS QD . . 4.440 4.021 1.961 4.777 0.337 19 0 "[ . 1 . 2]" 2
431 1 74 ILE MD 1 75 ARG H . . 5.240 4.710 3.340 5.008 . 0 0 "[ . 1 . 2]" 2
432 1 50 HIS HE1 1 74 ILE MD . . 4.280 3.956 2.645 4.546 0.266 17 0 "[ . 1 . 2]" 2
433 1 74 ILE H 1 74 ILE MD . . 4.730 3.944 1.816 4.494 . 0 0 "[ . 1 . 2]" 2
434 1 69 TYR QD 1 74 ILE MD . . 4.150 2.497 1.923 3.946 . 0 0 "[ . 1 . 2]" 2
435 1 69 TYR QE 1 74 ILE MD . . 3.950 2.010 1.792 2.905 . 0 0 "[ . 1 . 2]" 2
436 1 71 PRO HA 1 74 ILE MD . . 3.230 1.981 1.771 2.533 . 0 0 "[ . 1 . 2]" 2
437 1 12 ILE HA 1 12 ILE MD . . 4.570 4.010 3.650 4.179 . 0 0 "[ . 1 . 2]" 2
438 1 83 ILE HA 1 83 ILE MD . . 4.770 3.504 2.007 4.174 . 0 0 "[ . 1 . 2]" 2
439 1 24 ILE H 1 24 ILE MD . . 3.890 3.590 3.535 3.665 . 0 0 "[ . 1 . 2]" 2
440 1 24 ILE MD 1 46 LEU H . . 4.620 3.707 3.586 3.837 . 0 0 "[ . 1 . 2]" 2
441 1 24 ILE MD 1 25 CYS H . . 4.200 3.986 3.952 4.046 . 0 0 "[ . 1 . 2]" 2
442 1 24 ILE MD 1 41 PHE QD . . 3.170 1.931 1.855 2.102 . 0 0 "[ . 1 . 2]" 2
443 1 24 ILE MD 1 49 ASN HA . . 5.360 4.762 4.601 4.873 . 0 0 "[ . 1 . 2]" 2
444 1 24 ILE MD 1 63 PRO HA . . 5.500 6.045 5.891 6.118 0.618 17 17 "[*********1** ** +-**]" 2
445 1 23 PRO QD 1 24 ILE MD . . 3.580 3.865 3.792 3.938 0.358 11 0 "[ . 1 . 2]" 2
446 1 24 ILE MD 1 46 LEU HA . . 3.850 3.212 3.116 3.307 . 0 0 "[ . 1 . 2]" 2
447 1 24 ILE MD 1 41 PHE HB3 . . 3.920 2.598 2.526 2.684 . 0 0 "[ . 1 . 2]" 2
448 1 24 ILE MD 1 45 CYS QB . . 3.340 1.764 1.738 1.807 . 0 0 "[ . 1 . 2]" 2
449 1 24 ILE MD 1 49 ASN HB3 . . 3.860 3.477 3.216 3.883 0.023 9 0 "[ . 1 . 2]" 2
450 1 24 ILE MD 1 49 ASN HB2 . . 3.860 2.661 2.468 2.984 . 0 0 "[ . 1 . 2]" 2
451 1 24 ILE HB 1 24 ILE MD . . 3.310 2.150 2.116 2.186 . 0 0 "[ . 1 . 2]" 2
452 1 24 ILE MD 1 63 PRO HB2 . . 4.030 4.311 4.291 4.327 0.297 5 0 "[ . 1 . 2]" 2
453 1 23 PRO QB 1 24 ILE MD . . 3.620 4.609 4.548 4.659 1.039 4 20 [***+***************-] 2
454 1 24 ILE MD 1 63 PRO HG3 . . 3.760 2.585 2.374 2.701 . 0 0 "[ . 1 . 2]" 2
455 1 24 ILE MD 1 24 ILE MG . . 3.190 2.382 2.311 2.446 . 0 0 "[ . 1 . 2]" 2
456 1 44 ALA HA 1 47 THR HB . . 3.480 2.964 2.838 3.081 . 0 0 "[ . 1 . 2]" 2
457 1 47 THR HB 1 48 ALA H . . 3.760 2.675 2.420 3.856 0.096 7 0 "[ . 1 . 2]" 2
458 1 69 TYR HB2 1 70 GLN H . . 4.830 2.842 2.113 4.046 . 0 0 "[ . 1 . 2]" 2
459 1 69 TYR HB3 1 70 GLN H . . 4.830 4.062 3.622 4.491 . 0 0 "[ . 1 . 2]" 2
460 1 37 CYS H 1 67 ILE MD . . 5.500 4.969 4.170 5.554 0.054 13 0 "[ . 1 . 2]" 2
461 1 67 ILE H 1 67 ILE MD . . 4.580 4.265 3.744 4.511 . 0 0 "[ . 1 . 2]" 2
462 1 37 CYS HA 1 67 ILE MD . . 4.250 2.849 2.094 3.836 . 0 0 "[ . 1 . 2]" 2
463 1 67 ILE HA 1 67 ILE MD . . 3.720 3.315 1.975 3.726 0.006 5 0 "[ . 1 . 2]" 2
464 1 67 ILE MD 1 68 SER QB . . 5.410 4.506 3.872 5.143 . 0 0 "[ . 1 . 2]" 2
465 1 37 CYS HB3 1 67 ILE MD . . 3.790 3.137 2.294 3.749 . 0 0 "[ . 1 . 2]" 2
466 1 37 CYS HB2 1 67 ILE MD . . 3.640 2.896 2.370 3.463 . 0 0 "[ . 1 . 2]" 2
467 1 67 ILE HB 1 67 ILE MD . . 3.290 2.376 2.206 3.218 . 0 0 "[ . 1 . 2]" 2
468 1 46 LEU HA 1 49 ASN HB3 . . 3.910 2.742 2.308 3.262 . 0 0 "[ . 1 . 2]" 2
469 1 46 LEU HA 1 49 ASN HB2 . . 3.910 3.508 3.046 3.870 . 0 0 "[ . 1 . 2]" 2
470 1 46 LEU MD2 1 49 ASN HB2 . . 4.970 4.759 4.396 4.977 0.007 18 0 "[ . 1 . 2]" 2
471 1 12 ILE H 1 12 ILE HB . . 3.750 3.516 2.477 3.770 0.020 14 0 "[ . 1 . 2]" 2
472 1 26 LEU QB 1 26 LEU MD1 . . 2.890 2.045 2.012 2.099 . 0 0 "[ . 1 . 2]" 2
473 1 74 ILE HB 1 75 ARG H . . 4.410 3.930 3.717 4.072 . 0 0 "[ . 1 . 2]" 2
474 1 74 ILE H 1 74 ILE HB . . 3.910 2.808 2.532 3.002 . 0 0 "[ . 1 . 2]" 2
475 1 32 PRO HA 1 40 SER HB3 . . 5.310 4.622 4.371 4.695 . 0 0 "[ . 1 . 2]" 2
476 1 20 VAL QG 1 40 SER HB3 . . 4.170 4.005 3.839 4.099 . 0 0 "[ . 1 . 2]" 2
477 1 34 SER HA 1 40 SER HB3 . . 4.170 4.125 3.969 4.264 0.094 7 0 "[ . 1 . 2]" 2
478 1 39 HIS HA 1 40 SER HB3 . . 5.500 5.558 5.531 5.580 0.080 16 0 "[ . 1 . 2]" 2
479 1 32 PRO HB2 1 40 SER HB3 . . 3.950 1.999 1.968 2.097 . 0 0 "[ . 1 . 2]" 2
480 1 29 LEU QD 1 40 SER HB3 . . 3.530 3.164 2.993 3.396 . 0 0 "[ . 1 . 2]" 2
481 1 40 SER HB2 1 41 PHE H . . 3.850 3.231 3.081 3.373 . 0 0 "[ . 1 . 2]" 2
482 1 40 SER HB2 1 41 PHE HA . . 4.080 4.114 4.055 4.180 0.100 16 0 "[ . 1 . 2]" 2
483 1 22 CYS HA 1 40 SER HB2 . . 5.390 5.083 4.835 5.244 . 0 0 "[ . 1 . 2]" 2
484 1 32 PRO HB3 1 40 SER HB3 . . 4.180 3.494 3.404 3.556 . 0 0 "[ . 1 . 2]" 2
485 1 32 PRO HB3 1 40 SER HB2 . . 4.160 3.486 3.284 3.666 . 0 0 "[ . 1 . 2]" 2
486 1 32 PRO HB2 1 40 SER HB2 . . 4.100 2.778 2.581 2.952 . 0 0 "[ . 1 . 2]" 2
487 1 20 VAL QG 1 40 SER HB2 . . 4.200 3.145 3.028 3.280 . 0 0 "[ . 1 . 2]" 2
488 1 24 ILE HB 1 41 PHE QD . . 4.820 3.823 3.695 3.961 . 0 0 "[ . 1 . 2]" 2
489 1 67 ILE H 1 67 ILE HB . . 3.730 2.503 2.260 2.802 . 0 0 "[ . 1 . 2]" 2
490 1 37 CYS HB3 1 67 ILE HB . . 4.180 3.375 2.129 4.431 0.251 17 0 "[ . 1 . 2]" 2
491 1 62 CYS QB 1 67 ILE HB . . 4.720 3.735 3.094 4.625 . 0 0 "[ . 1 . 2]" 2
492 1 69 TYR QD 1 71 PRO HA . . 4.760 4.284 3.811 4.779 0.019 15 0 "[ . 1 . 2]" 2
493 1 69 TYR QE 1 71 PRO HA . . 4.470 3.625 2.782 4.416 . 0 0 "[ . 1 . 2]" 2
494 1 71 PRO HA 1 74 ILE HG13 . . 4.690 3.115 2.176 4.573 . 0 0 "[ . 1 . 2]" 2
495 1 34 SER H 1 34 SER HB2 . . 3.660 3.018 2.870 3.152 . 0 0 "[ . 1 . 2]" 2
496 1 34 SER HB2 1 35 LEU H . . 3.920 3.925 3.739 4.106 0.186 1 0 "[ . 1 . 2]" 2
497 1 33 LEU HA 1 34 SER HB2 . . 4.750 4.384 4.287 4.531 . 0 0 "[ . 1 . 2]" 2
498 1 34 SER HB3 1 35 LEU H . . 4.150 3.817 3.349 4.031 . 0 0 "[ . 1 . 2]" 2
499 1 33 LEU HA 1 34 SER HB3 . . 4.660 4.658 4.561 4.737 0.077 3 0 "[ . 1 . 2]" 2
500 1 34 SER HB3 1 35 LEU HG . . 5.500 5.424 5.019 5.650 0.150 2 0 "[ . 1 . 2]" 2
501 1 63 PRO HA 1 64 VAL MG2 . . 4.970 4.585 4.470 4.858 . 0 0 "[ . 1 . 2]" 2
502 1 27 GLU HA 1 27 GLU HG2 . . 3.710 2.557 2.357 2.904 . 0 0 "[ . 1 . 2]" 2
503 1 27 GLU HA 1 27 GLU HG3 . . 3.710 3.616 3.390 3.854 0.144 17 0 "[ . 1 . 2]" 2
504 1 18 GLU HA 1 18 GLU HG2 . . 3.860 3.338 2.387 4.248 0.388 15 0 "[ . 1 . 2]" 2
505 1 27 GLU H 1 27 GLU HG3 . . 3.810 3.495 2.830 3.897 0.087 10 0 "[ . 1 . 2]" 2
506 1 19 GLU HG3 1 20 VAL QG . . 4.060 2.304 1.908 3.174 . 0 0 "[ . 1 . 2]" 2
507 1 19 GLU H 1 19 GLU HG2 . . 3.910 2.319 1.897 3.146 . 0 0 "[ . 1 . 2]" 2
508 1 19 GLU HG2 1 20 VAL QG . . 4.060 2.973 1.931 3.689 . 0 0 "[ . 1 . 2]" 2
509 1 19 GLU HG2 1 20 VAL H . . 4.530 2.373 1.897 2.966 . 0 0 "[ . 1 . 2]" 2
510 1 72 GLU QG 1 73 ASN H . . 4.800 3.868 2.145 4.483 . 0 0 "[ . 1 . 2]" 2
511 1 72 GLU H 1 72 GLU QG . . 4.390 3.359 2.164 4.122 . 0 0 "[ . 1 . 2]" 2
512 1 23 PRO HA 1 26 LEU HA . . 4.740 4.168 4.013 4.301 . 0 0 "[ . 1 . 2]" 2
513 1 45 CYS HA 1 47 THR H . . 5.080 4.566 4.371 4.689 . 0 0 "[ . 1 . 2]" 2
514 1 45 CYS HA 1 48 ALA H . . 4.290 3.577 3.478 3.695 . 0 0 "[ . 1 . 2]" 2
515 1 42 CYS HB3 1 45 CYS HA . . 5.470 5.318 5.261 5.372 . 0 0 "[ . 1 . 2]" 2
516 1 24 ILE MD 1 45 CYS HA . . 4.880 3.596 3.549 3.648 . 0 0 "[ . 1 . 2]" 2
517 1 59 GLU H 1 59 GLU QG . . 4.390 2.851 1.966 3.960 . 0 0 "[ . 1 . 2]" 2
518 1 10 SER QB 1 12 ILE MG . . 4.260 2.895 2.037 4.844 0.584 1 2 "[+- . 1 . 2]" 2
519 1 68 SER QB 1 69 TYR H . . 4.000 3.601 3.036 3.823 . 0 0 "[ . 1 . 2]" 2
520 1 8 MET HB3 1 10 SER QB . . 4.500 3.682 3.070 4.478 . 0 0 "[ . 1 . 2]" 2
521 1 67 ILE MG 1 68 SER QB . . 4.570 4.257 2.648 4.697 0.127 16 0 "[ . 1 . 2]" 2
522 1 53 SER QB 1 60 SER HA . . 3.460 2.503 2.070 3.222 . 0 0 "[ . 1 . 2]" 2
523 1 24 ILE HA 1 41 PHE QD . . 5.500 5.175 5.081 5.261 . 0 0 "[ . 1 . 2]" 2
524 1 24 ILE HA 1 24 ILE HG12 . . 3.570 2.731 2.683 2.766 . 0 0 "[ . 1 . 2]" 2
525 1 24 ILE HA 1 24 ILE HG13 . . 3.490 2.515 2.408 2.600 . 0 0 "[ . 1 . 2]" 2
526 1 24 ILE HA 1 24 ILE MD . . 3.530 3.800 3.761 3.822 0.292 13 0 "[ . 1 . 2]" 2
527 1 53 SER QB 1 60 SER QB . . 4.710 3.400 1.964 4.709 . 0 0 "[ . 1 . 2]" 2
528 1 53 SER QB 1 56 ASP QB . . 4.640 4.062 3.105 4.797 0.157 20 0 "[ . 1 . 2]" 2
529 1 53 SER QB 1 57 LYS QB . . 5.500 4.013 1.854 5.422 . 0 0 "[ . 1 . 2]" 2
530 1 53 SER QB 1 61 SER H . . 4.780 3.827 2.890 4.711 . 0 0 "[ . 1 . 2]" 2
531 1 53 SER QB 1 54 MET H . . 4.130 3.483 2.616 4.037 . 0 0 "[ . 1 . 2]" 2
532 1 53 SER QB 1 57 LYS QD . . 4.660 4.274 2.621 5.376 0.716 18 5 "[ . ** . +*-]" 2
533 1 53 SER QB 1 57 LYS QG . . 5.080 4.106 2.231 5.493 0.413 19 0 "[ . 1 . 2]" 2
534 1 52 LYS H 1 53 SER QB . . 5.500 4.822 4.372 5.415 . 0 0 "[ . 1 . 2]" 2
535 1 53 SER QB 1 55 LEU H . . 5.500 5.064 4.578 5.512 0.012 2 0 "[ . 1 . 2]" 2
536 1 33 LEU HA 1 76 PRO HA . . 4.660 3.503 2.219 4.641 . 0 0 "[ . 1 . 2]" 2
537 1 76 PRO HA 1 77 ASN HA . . 4.500 4.354 4.304 4.523 0.023 5 0 "[ . 1 . 2]" 2
538 1 33 LEU HG 1 76 PRO HA . . 5.390 5.855 4.863 6.288 0.898 19 10 "[- *. * ** **.* *+2]" 2
539 1 32 PRO HA 1 42 CYS HA . . 4.070 2.908 2.682 3.242 . 0 0 "[ . 1 . 2]" 2
540 1 32 PRO HA 1 40 SER HB2 . . 4.890 5.283 4.937 5.507 0.617 19 5 "[ . * 1 -* +*]" 2
541 1 29 LEU QD 1 32 PRO HA . . 3.570 2.879 2.550 3.212 . 0 0 "[ . 1 . 2]" 2
542 1 67 ILE HA 1 68 SER QB . . 4.420 4.252 4.048 4.421 0.001 8 0 "[ . 1 . 2]" 2
543 1 67 ILE HA 1 67 ILE HG13 . . 3.920 2.440 2.176 3.595 . 0 0 "[ . 1 . 2]" 2
544 1 67 ILE HA 1 67 ILE HG12 . . 3.920 3.156 2.307 3.654 . 0 0 "[ . 1 . 2]" 2
545 1 67 ILE HA 1 67 ILE MG . . 3.380 3.127 2.546 3.202 . 0 0 "[ . 1 . 2]" 2
546 1 30 THR HA 1 32 PRO HD2 . . 4.690 4.200 3.891 4.424 . 0 0 "[ . 1 . 2]" 2
547 1 80 VAL HA 1 80 VAL MG2 . . 3.320 2.924 2.157 3.203 . 0 0 "[ . 1 . 2]" 2
548 1 31 GLN H 1 31 GLN QG . . 4.620 2.905 2.098 3.448 . 0 0 "[ . 1 . 2]" 2
549 1 30 THR HB 1 31 GLN QG . . 4.850 4.334 2.803 5.019 0.169 8 0 "[ . 1 . 2]" 2
550 1 31 GLN HA 1 31 GLN QG . . 3.480 2.731 2.134 3.339 . 0 0 "[ . 1 . 2]" 2
551 1 20 VAL HA 1 21 THR HA . . 4.920 4.396 4.395 4.400 . 0 0 "[ . 1 . 2]" 2
552 1 20 VAL HA 1 21 THR HB . . 5.500 4.759 4.658 4.856 . 0 0 "[ . 1 . 2]" 2
553 1 20 VAL HA 1 20 VAL QG . . 2.860 2.111 2.050 2.180 . 0 0 "[ . 1 . 2]" 2
554 1 20 VAL HA 1 29 LEU QD . . 4.350 4.424 4.132 4.543 0.193 12 0 "[ . 1 . 2]" 2
555 1 43 GLN QG 1 44 ALA H . . 4.220 3.831 3.695 3.973 . 0 0 "[ . 1 . 2]" 2
556 1 43 GLN H 1 43 GLN QG . . 4.040 3.990 3.956 4.030 . 0 0 "[ . 1 . 2]" 2
557 1 43 GLN QG 1 44 ALA HA . . 4.240 3.697 3.514 3.895 . 0 0 "[ . 1 . 2]" 2
558 1 33 LEU HG 1 43 GLN QG . . 5.320 4.775 4.263 5.114 . 0 0 "[ . 1 . 2]" 2
559 1 43 GLN QG 1 46 LEU HB2 . . 5.500 5.140 4.884 5.359 . 0 0 "[ . 1 . 2]" 2
560 1 29 LEU QD 1 32 PRO HB3 . . 3.450 1.776 1.707 1.860 . 0 0 "[ . 1 . 2]" 2
561 1 32 PRO HB2 1 41 PHE H . . 4.310 2.556 2.101 3.048 . 0 0 "[ . 1 . 2]" 2
562 1 22 CYS HA 1 23 PRO QB . . 5.500 4.540 4.539 4.545 . 0 0 "[ . 1 . 2]" 2
563 1 29 LEU HB3 1 32 PRO HB2 . . 4.440 3.843 3.452 4.142 . 0 0 "[ . 1 . 2]" 2
564 1 64 VAL HB 1 65 CYS H . . 4.040 2.370 2.109 2.636 . 0 0 "[ . 1 . 2]" 2
565 1 39 HIS HB2 1 64 VAL HB . . 4.640 3.795 3.648 3.953 . 0 0 "[ . 1 . 2]" 2
566 1 39 HIS HB3 1 64 VAL HB . . 4.660 3.712 3.542 3.827 . 0 0 "[ . 1 . 2]" 2
567 1 64 VAL H 1 64 VAL HB . . 4.070 2.564 2.427 2.640 . 0 0 "[ . 1 . 2]" 2
568 1 41 PHE QE 1 64 VAL HB . . 4.420 4.121 3.882 4.240 . 0 0 "[ . 1 . 2]" 2
569 1 74 ILE HA 1 74 ILE HG12 . . 3.960 2.657 2.428 3.498 . 0 0 "[ . 1 . 2]" 2
570 1 12 ILE HA 1 12 ILE HG12 . . 4.240 3.711 2.575 4.210 . 0 0 "[ . 1 . 2]" 2
571 1 22 CYS QB 1 29 LEU HA . . 4.420 3.758 3.288 3.956 . 0 0 "[ . 1 . 2]" 2
572 1 22 CYS QB 1 26 LEU HA . . 4.040 3.621 3.489 3.765 . 0 0 "[ . 1 . 2]" 2
573 1 20 VAL QG 1 32 PRO HB3 . . 4.480 3.813 3.437 4.096 . 0 0 "[ . 1 . 2]" 2
574 1 29 LEU QD 1 32 PRO HB2 . . 3.550 2.630 2.531 2.793 . 0 0 "[ . 1 . 2]" 2
575 1 22 CYS QB 1 23 PRO QD . . 4.230 3.411 3.395 3.452 . 0 0 "[ . 1 . 2]" 2
576 1 41 PHE QD 1 63 PRO HB2 . . 5.500 5.396 5.314 5.511 0.011 14 0 "[ . 1 . 2]" 2
577 1 41 PHE HZ 1 63 PRO HB2 . . 5.500 5.263 5.069 5.388 . 0 0 "[ . 1 . 2]" 2
578 1 63 PRO HB2 1 64 VAL MG2 . . 4.430 3.637 3.506 3.840 . 0 0 "[ . 1 . 2]" 2
579 1 57 LYS QB 1 58 GLY H . . 4.270 2.878 2.099 3.909 . 0 0 "[ . 1 . 2]" 2
580 1 33 LEU MD2 1 76 PRO HB3 . . 4.240 2.246 1.921 2.679 . 0 0 "[ . 1 . 2]" 2
581 1 35 LEU HB2 1 39 HIS HB2 . . 4.750 4.178 3.861 4.576 . 0 0 "[ . 1 . 2]" 2
582 1 39 HIS H 1 39 HIS HB2 . . 3.810 2.820 2.504 2.910 . 0 0 "[ . 1 . 2]" 2
583 1 39 HIS HB2 1 41 PHE QE . . 4.380 2.092 1.995 2.304 . 0 0 "[ . 1 . 2]" 2
584 1 35 LEU MD1 1 39 HIS HB2 . . 4.220 2.953 2.413 3.211 . 0 0 "[ . 1 . 2]" 2
585 1 25 CYS HB2 1 27 GLU H . . 4.370 3.754 3.554 3.968 . 0 0 "[ . 1 . 2]" 2
586 1 25 CYS HB2 1 26 LEU H . . 4.440 4.113 3.945 4.242 . 0 0 "[ . 1 . 2]" 2
587 1 25 CYS HB2 1 27 GLU HG2 . . 4.130 3.200 2.531 3.683 . 0 0 "[ . 1 . 2]" 2
588 1 25 CYS HB2 1 27 GLU HG3 . . 4.130 2.365 1.976 2.726 . 0 0 "[ . 1 . 2]" 2
589 1 25 CYS HB2 1 27 GLU HB3 . . 4.900 4.726 4.625 4.894 . 0 0 "[ . 1 . 2]" 2
590 1 24 ILE MG 1 25 CYS HB2 . . 4.220 4.266 4.127 4.326 0.106 16 0 "[ . 1 . 2]" 2
591 1 24 ILE MG 1 25 CYS HB3 . . 4.290 2.944 2.748 3.032 . 0 0 "[ . 1 . 2]" 2
592 1 24 ILE HB 1 25 CYS HB3 . . 4.590 4.208 4.109 4.316 . 0 0 "[ . 1 . 2]" 2
593 1 39 HIS HB3 1 41 PHE QE . . 4.180 2.455 2.229 2.661 . 0 0 "[ . 1 . 2]" 2
594 1 23 PRO HG3 1 39 HIS HB3 . . 4.810 3.694 3.506 3.870 . 0 0 "[ . 1 . 2]" 2
595 1 35 LEU MD1 1 39 HIS HB3 . . 4.410 3.911 3.543 4.151 . 0 0 "[ . 1 . 2]" 2
596 1 54 MET H 1 54 MET HG3 . . 4.730 4.210 3.434 4.621 . 0 0 "[ . 1 . 2]" 2
597 1 54 MET HA 1 54 MET HG3 . . 3.970 2.872 2.169 3.810 . 0 0 "[ . 1 . 2]" 2
598 1 54 MET HA 1 54 MET HG2 . . 3.970 3.381 2.919 3.676 . 0 0 "[ . 1 . 2]" 2
599 1 53 SER HA 1 57 LYS QB . . 5.460 4.614 2.433 5.575 0.115 11 0 "[ . 1 . 2]" 2
600 1 43 GLN HA 1 46 LEU H . . 4.510 4.282 4.219 4.339 . 0 0 "[ . 1 . 2]" 2
601 1 42 CYS HA 1 43 GLN HA . . 4.510 4.326 4.315 4.342 . 0 0 "[ . 1 . 2]" 2
602 1 42 CYS HB3 1 43 GLN HA . . 5.490 5.080 5.006 5.185 . 0 0 "[ . 1 . 2]" 2
603 1 43 GLN HA 1 43 GLN QG . . 3.150 2.754 2.418 3.014 . 0 0 "[ . 1 . 2]" 2
604 1 33 LEU HG 1 43 GLN HA . . 3.510 2.781 2.563 2.982 . 0 0 "[ . 1 . 2]" 2
605 1 43 GLN HA 1 46 LEU HB2 . . 3.970 3.396 3.330 3.430 . 0 0 "[ . 1 . 2]" 2
606 1 43 GLN HA 1 44 ALA MB . . 5.440 4.920 4.884 4.938 . 0 0 "[ . 1 . 2]" 2
607 1 43 GLN HA 1 46 LEU HG . . 5.500 5.257 5.146 5.354 . 0 0 "[ . 1 . 2]" 2
608 1 43 GLN HA 1 46 LEU HB3 . . 4.960 4.783 4.725 4.831 . 0 0 "[ . 1 . 2]" 2
609 1 33 LEU MD1 1 43 GLN HA . . 3.230 1.933 1.836 2.176 . 0 0 "[ . 1 . 2]" 2
610 1 43 GLN HA 1 46 LEU MD1 . . 4.700 3.177 3.065 3.272 . 0 0 "[ . 1 . 2]" 2
611 1 52 LYS HA 1 54 MET QB . . 4.930 4.478 3.764 4.723 . 0 0 "[ . 1 . 2]" 2
612 1 62 CYS QB 1 67 ILE H . . 4.180 2.097 1.901 2.454 . 0 0 "[ . 1 . 2]" 2
613 1 62 CYS QB 1 63 PRO HD3 . . 4.690 4.385 4.308 4.437 . 0 0 "[ . 1 . 2]" 2
614 1 35 LEU MD1 1 62 CYS QB . . 3.790 3.208 2.807 3.543 . 0 0 "[ . 1 . 2]" 2
615 1 59 GLU HB2 1 60 SER H . . 4.350 3.813 2.524 4.408 0.058 11 0 "[ . 1 . 2]" 2
616 1 42 CYS HB2 1 43 GLN H . . 4.410 4.113 4.013 4.188 . 0 0 "[ . 1 . 2]" 2
617 1 42 CYS HB2 1 45 CYS HA . . 4.650 4.097 4.053 4.129 . 0 0 "[ . 1 . 2]" 2
618 1 24 ILE HB 1 42 CYS HB2 . . 4.770 4.736 4.641 4.790 0.020 2 0 "[ . 1 . 2]" 2
619 1 42 CYS HB3 1 44 ALA H . . 4.610 2.541 2.469 2.608 . 0 0 "[ . 1 . 2]" 2
620 1 42 CYS HB3 1 45 CYS QB . . 3.880 3.641 3.601 3.675 . 0 0 "[ . 1 . 2]" 2
621 1 35 LEU HB3 1 37 CYS HB3 . . 5.000 4.105 3.870 4.805 . 0 0 "[ . 1 . 2]" 2
622 1 37 CYS H 1 37 CYS HB2 . . 3.960 3.785 3.695 3.870 . 0 0 "[ . 1 . 2]" 2
623 1 37 CYS HB2 1 67 ILE HB . . 4.080 3.080 2.127 3.763 . 0 0 "[ . 1 . 2]" 2
624 1 27 GLU HB3 1 28 LEU H . . 3.210 2.700 2.378 3.047 . 0 0 "[ . 1 . 2]" 2
625 1 29 LEU QD 1 42 CYS HA . . 4.580 2.897 2.764 2.969 . 0 0 "[ . 1 . 2]" 2
626 1 75 ARG HB2 1 75 ARG QD . . 3.780 2.733 2.378 3.442 . 0 0 "[ . 1 . 2]" 2
627 1 75 ARG HB3 1 75 ARG QD . . 3.840 2.276 2.093 2.872 . 0 0 "[ . 1 . 2]" 2
628 1 78 ARG HB2 1 78 ARG QD . . 3.730 2.782 2.059 3.436 . 0 0 "[ . 1 . 2]" 2
629 1 19 GLU H 1 19 GLU HB2 . . 3.730 3.636 3.588 3.738 0.008 13 0 "[ . 1 . 2]" 2
630 1 18 GLU QB 1 20 VAL QG . . 4.850 4.485 4.206 4.741 . 0 0 "[ . 1 . 2]" 2
631 1 18 GLU QB 1 28 LEU MD2 . . 4.150 3.305 1.951 3.636 . 0 0 "[ . 1 . 2]" 2
632 1 75 ARG HB3 1 76 PRO HD3 . . 4.760 4.481 4.276 4.693 . 0 0 "[ . 1 . 2]" 2
633 1 75 ARG HB3 1 76 PRO HD2 . . 4.210 3.542 3.298 3.817 . 0 0 "[ . 1 . 2]" 2
634 1 51 LYS HA 1 54 MET QB . . 4.140 2.760 1.984 4.154 0.014 8 0 "[ . 1 . 2]" 2
635 1 52 LYS HA 1 52 LYS QD . . 3.690 3.181 2.302 3.678 . 0 0 "[ . 1 . 2]" 2
636 1 72 GLU HA 1 72 GLU QG . . 3.390 2.529 2.197 3.442 0.052 10 0 "[ . 1 . 2]" 2
637 1 62 CYS H 1 66 ARG HA . . 4.490 2.973 1.875 4.254 . 0 0 "[ . 1 . 2]" 2
638 1 61 SER HB2 1 66 ARG HA . . 4.280 3.315 2.130 4.312 0.032 5 0 "[ . 1 . 2]" 2
639 1 61 SER HB3 1 66 ARG HA . . 4.280 3.081 2.089 4.335 0.055 19 0 "[ . 1 . 2]" 2
640 1 62 CYS QB 1 66 ARG HA . . 3.870 2.703 2.270 3.591 . 0 0 "[ . 1 . 2]" 2
641 1 66 ARG HA 1 66 ARG HG3 . . 3.880 2.990 2.182 3.881 0.001 10 0 "[ . 1 . 2]" 2
642 1 25 CYS H 1 45 CYS QB . . 4.730 4.004 3.937 4.060 . 0 0 "[ . 1 . 2]" 2
643 1 42 CYS HB2 1 45 CYS QB . . 3.720 1.990 1.971 2.021 . 0 0 "[ . 1 . 2]" 2
644 1 24 ILE HG12 1 45 CYS QB . . 4.370 3.517 3.386 3.582 . 0 0 "[ . 1 . 2]" 2
645 1 41 PHE QD 1 45 CYS QB . . 4.790 3.916 3.841 4.067 . 0 0 "[ . 1 . 2]" 2
646 1 45 CYS QB 1 46 LEU HG . . 4.560 3.956 3.897 4.025 . 0 0 "[ . 1 . 2]" 2
647 1 41 PHE HB2 1 45 CYS QB . . 5.280 4.450 4.398 4.496 . 0 0 "[ . 1 . 2]" 2
648 1 46 LEU HA 1 46 LEU HG . . 3.930 2.508 2.451 2.571 . 0 0 "[ . 1 . 2]" 2
649 1 70 GLN HB2 1 71 PRO HD2 . . 5.050 4.257 3.831 4.719 . 0 0 "[ . 1 . 2]" 2
650 1 70 GLN HB2 1 71 PRO HD3 . . 5.050 5.002 4.770 5.146 0.096 1 0 "[ . 1 . 2]" 2
651 1 70 GLN HB3 1 71 PRO HD2 . . 5.050 3.265 2.297 4.599 . 0 0 "[ . 1 . 2]" 2
652 1 70 GLN HB3 1 71 PRO HD3 . . 5.050 4.402 3.700 5.106 0.056 3 0 "[ . 1 . 2]" 2
653 1 67 ILE H 1 67 ILE HG13 . . 4.820 4.329 2.968 4.542 . 0 0 "[ . 1 . 2]" 2
654 1 67 ILE H 1 67 ILE HG12 . . 4.820 4.456 2.758 4.679 . 0 0 "[ . 1 . 2]" 2
655 1 62 CYS HA 1 63 PRO HG2 . . 4.700 4.172 4.131 4.226 . 0 0 "[ . 1 . 2]" 2
656 1 35 LEU MD1 1 62 CYS HA . . 4.040 3.674 3.416 3.821 . 0 0 "[ . 1 . 2]" 2
657 1 21 THR HB 1 26 LEU HA . . 3.630 4.451 4.279 4.625 0.995 19 20 [****-*************+*] 2
658 1 26 LEU HA 1 26 LEU HG . . 3.780 3.308 3.256 3.380 . 0 0 "[ . 1 . 2]" 2
659 1 54 MET HA 1 58 GLY H . . 4.450 3.352 2.574 4.434 . 0 0 "[ . 1 . 2]" 2
660 1 54 MET HA 1 58 GLY QA . . 3.980 2.295 1.931 3.404 . 0 0 "[ . 1 . 2]" 2
661 1 43 GLN HB2 1 44 ALA H . . 4.450 4.204 4.167 4.260 . 0 0 "[ . 1 . 2]" 2
662 1 33 LEU HG 1 43 GLN HB2 . . 4.300 3.272 3.055 3.568 . 0 0 "[ . 1 . 2]" 2
663 1 31 GLN QB 1 32 PRO HD2 . . 4.910 4.163 4.034 4.216 . 0 0 "[ . 1 . 2]" 2
664 1 43 GLN HB3 1 44 ALA H . . 3.890 3.114 3.048 3.231 . 0 0 "[ . 1 . 2]" 2
665 1 42 CYS HA 1 43 GLN HB3 . . 4.640 4.607 4.522 4.653 0.013 15 0 "[ . 1 . 2]" 2
666 1 33 LEU MD1 1 43 GLN HB3 . . 4.240 4.100 3.865 4.310 0.070 15 0 "[ . 1 . 2]" 2
667 1 43 GLN HB3 1 44 ALA HA . . 4.810 4.616 4.574 4.690 . 0 0 "[ . 1 . 2]" 2
668 1 24 ILE HG12 1 49 ASN HA . . 5.130 5.500 5.417 5.546 0.416 17 0 "[ . 1 . 2]" 2
669 1 49 ASN HA 1 52 LYS QD . . 5.500 4.735 3.421 5.517 0.017 15 0 "[ . 1 . 2]" 2
670 1 57 LYS HA 1 58 GLY QA . . 4.700 4.199 3.936 4.260 . 0 0 "[ . 1 . 2]" 2
671 1 57 LYS HA 1 58 GLY H . . 3.540 3.364 2.182 3.576 0.036 20 0 "[ . 1 . 2]" 2
672 1 18 GLU HA 1 18 GLU HG3 . . 3.860 3.622 2.527 4.241 0.381 1 0 "[ . 1 . 2]" 2
673 1 16 VAL MG2 1 17 LYS HA . . 4.500 4.087 3.433 4.562 0.062 2 0 "[ . 1 . 2]" 2
674 1 18 GLU HA 1 20 VAL QG . . 5.200 5.664 4.952 5.957 0.757 3 13 "[ +*.**- *** *. ****]" 2
675 1 55 LEU HA 1 55 LEU MD1 . . 4.070 3.497 2.089 4.103 0.033 9 0 "[ . 1 . 2]" 2
676 1 22 CYS H 1 28 LEU HA . . 4.040 3.660 3.346 4.132 0.092 20 0 "[ . 1 . 2]" 2
677 1 28 LEU HA 1 29 LEU H . . 3.030 2.215 2.140 2.299 . 0 0 "[ . 1 . 2]" 2
678 1 21 THR H 1 28 LEU HA . . 4.810 5.384 5.190 5.520 0.710 5 16 "[****+*** ***-**** 2]" 2
679 1 21 THR HA 1 28 LEU HA . . 3.260 2.676 2.462 2.831 . 0 0 "[ . 1 . 2]" 2
680 1 21 THR HB 1 28 LEU HA . . 5.270 5.213 5.080 5.319 0.049 5 0 "[ . 1 . 2]" 2
681 1 27 GLU HB3 1 28 LEU HA . . 4.950 4.834 4.704 4.972 0.022 19 0 "[ . 1 . 2]" 2
682 1 28 LEU HA 1 29 LEU HG . . 4.500 4.511 4.304 4.961 0.461 18 0 "[ . 1 . 2]" 2
683 1 21 THR MG 1 28 LEU HA . . 3.140 2.975 2.877 3.117 . 0 0 "[ . 1 . 2]" 2
684 1 28 LEU HA 1 29 LEU QD . . 5.500 4.613 4.433 4.940 . 0 0 "[ . 1 . 2]" 2
685 1 23 PRO HG3 1 24 ILE H . . 4.780 4.577 4.536 4.618 . 0 0 "[ . 1 . 2]" 2
686 1 24 ILE H 1 24 ILE HG12 . . 5.110 4.303 4.244 4.401 . 0 0 "[ . 1 . 2]" 2
687 1 24 ILE HG13 1 41 PHE QD . . 4.490 2.876 2.718 3.054 . 0 0 "[ . 1 . 2]" 2
688 1 23 PRO HG2 1 41 PHE QD . . 3.740 2.388 2.248 2.479 . 0 0 "[ . 1 . 2]" 2
689 1 22 CYS HA 1 23 PRO HG2 . . 4.460 4.216 4.196 4.223 . 0 0 "[ . 1 . 2]" 2
690 1 23 PRO HG2 1 64 VAL MG2 . . 3.500 3.114 2.955 3.277 . 0 0 "[ . 1 . 2]" 2
691 1 23 PRO HG2 1 24 ILE MD . . 4.680 3.435 3.366 3.501 . 0 0 "[ . 1 . 2]" 2
692 1 23 PRO HG2 1 24 ILE H . . 4.840 3.294 3.241 3.347 . 0 0 "[ . 1 . 2]" 2
693 1 23 PRO HG3 1 41 PHE QE . . 4.700 2.703 2.500 2.798 . 0 0 "[ . 1 . 2]" 2
694 1 23 PRO HG3 1 64 VAL MG1 . . 4.510 4.406 4.179 4.523 0.013 14 0 "[ . 1 . 2]" 2
695 1 23 PRO HG3 1 41 PHE HZ . . 3.830 3.437 3.401 3.465 . 0 0 "[ . 1 . 2]" 2
696 1 23 PRO HG3 1 41 PHE HA . . 4.700 4.704 4.675 4.736 0.036 17 0 "[ . 1 . 2]" 2
697 1 22 CYS HA 1 23 PRO HG3 . . 4.520 4.317 4.315 4.318 . 0 0 "[ . 1 . 2]" 2
698 1 32 PRO HA 1 33 LEU HG . . 3.890 3.593 3.487 3.740 . 0 0 "[ . 1 . 2]" 2
699 1 23 PRO HG3 1 39 HIS HB2 . . 5.500 5.264 4.997 5.444 . 0 0 "[ . 1 . 2]" 2
700 1 23 PRO HG3 1 41 PHE HB3 . . 5.500 5.487 5.358 5.547 0.047 9 0 "[ . 1 . 2]" 2
701 1 58 GLY QA 1 59 GLU HA . . 4.730 3.990 3.940 4.061 . 0 0 "[ . 1 . 2]" 2
702 1 59 GLU HA 1 59 GLU QG . . 3.680 2.788 2.182 3.462 . 0 0 "[ . 1 . 2]" 2
703 1 54 MET ME 1 59 GLU HA . . 3.850 2.977 2.107 3.726 . 0 0 "[ . 1 . 2]" 2
704 1 44 ALA HA 1 46 LEU H . . 5.360 4.203 4.048 4.374 . 0 0 "[ . 1 . 2]" 2
705 1 44 ALA HA 1 47 THR MG . . 4.860 4.210 2.417 4.430 . 0 0 "[ . 1 . 2]" 2
706 1 44 ALA HA 1 48 ALA H . . 4.630 4.290 3.981 4.655 0.025 7 0 "[ . 1 . 2]" 2
707 1 33 LEU HG 1 43 GLN HB3 . . 4.610 4.621 4.431 4.901 0.291 15 0 "[ . 1 . 2]" 2
708 1 66 ARG HA 1 66 ARG HG2 . . 3.880 3.230 2.757 3.637 . 0 0 "[ . 1 . 2]" 2
709 1 66 ARG H 1 66 ARG HG2 . . 4.790 3.728 2.488 4.903 0.113 17 0 "[ . 1 . 2]" 2
710 1 66 ARG H 1 66 ARG HG3 . . 4.790 3.879 3.206 4.571 . 0 0 "[ . 1 . 2]" 2
711 1 83 ILE HA 1 83 ILE HG12 . . 3.950 3.103 2.608 4.207 0.257 13 0 "[ . 1 . 2]" 2
712 1 29 LEU HB2 1 32 PRO HG3 . . 3.950 3.503 3.350 3.588 . 0 0 "[ . 1 . 2]" 2
713 1 29 LEU QD 1 32 PRO HG3 . . 4.200 2.548 2.348 2.869 . 0 0 "[ . 1 . 2]" 2
714 1 29 LEU HB3 1 32 PRO HG3 . . 4.490 1.984 1.937 2.180 . 0 0 "[ . 1 . 2]" 2
715 1 20 VAL QG 1 32 PRO HG3 . . 4.030 2.394 2.034 2.702 . 0 0 "[ . 1 . 2]" 2
716 1 32 PRO HG2 1 33 LEU H . . 4.780 4.277 3.913 4.501 . 0 0 "[ . 1 . 2]" 2
717 1 20 VAL QG 1 32 PRO HG2 . . 4.190 3.514 3.301 3.658 . 0 0 "[ . 1 . 2]" 2
718 1 41 PHE QD 1 63 PRO HG2 . . 4.420 3.621 3.459 3.688 . 0 0 "[ . 1 . 2]" 2
719 1 41 PHE HZ 1 63 PRO HG2 . . 5.190 3.233 3.045 3.384 . 0 0 "[ . 1 . 2]" 2
720 1 74 ILE H 1 74 ILE HG12 . . 4.280 3.782 2.526 4.260 . 0 0 "[ . 1 . 2]" 2
721 1 71 PRO HA 1 74 ILE HG12 . . 4.690 3.922 2.113 4.677 . 0 0 "[ . 1 . 2]" 2
722 1 41 PHE QD 1 63 PRO HG3 . . 4.420 3.823 3.648 3.922 . 0 0 "[ . 1 . 2]" 2
723 1 74 ILE HA 1 74 ILE HG13 . . 3.960 3.063 2.323 3.745 . 0 0 "[ . 1 . 2]" 2
724 1 83 ILE HA 1 83 ILE HG13 . . 3.950 3.135 2.362 3.787 . 0 0 "[ . 1 . 2]" 2
725 1 74 ILE H 1 74 ILE HG13 . . 4.280 2.926 1.894 3.877 . 0 0 "[ . 1 . 2]" 2
726 1 69 TYR QD 1 74 ILE HG13 . . 5.030 4.127 2.953 4.896 . 0 0 "[ . 1 . 2]" 2
727 1 55 LEU H 1 55 LEU HG . . 3.890 3.041 1.905 3.965 0.075 6 0 "[ . 1 . 2]" 2
728 1 28 LEU HA 1 28 LEU HG . . 3.750 3.440 3.344 3.561 . 0 0 "[ . 1 . 2]" 2
729 1 75 ARG QG 1 76 PRO HA . . 4.640 4.542 4.426 4.668 0.028 11 0 "[ . 1 . 2]" 2
730 1 24 ILE MD 1 63 PRO HG2 . . 3.760 3.276 3.150 3.389 . 0 0 "[ . 1 . 2]" 2
731 1 62 CYS HA 1 63 PRO HG3 . . 4.700 4.319 4.314 4.340 . 0 0 "[ . 1 . 2]" 2
732 1 29 LEU H 1 29 LEU HG . . 3.620 3.437 2.988 3.702 0.082 16 0 "[ . 1 . 2]" 2
733 1 21 THR HA 1 29 LEU HG . . 4.450 3.200 3.055 3.421 . 0 0 "[ . 1 . 2]" 2
734 1 22 CYS HA 1 29 LEU HG . . 4.650 2.462 2.114 2.673 . 0 0 "[ . 1 . 2]" 2
735 1 29 LEU HA 1 29 LEU HG . . 3.730 2.976 2.737 3.074 . 0 0 "[ . 1 . 2]" 2
736 1 75 ARG QG 1 76 PRO HD3 . . 4.740 4.676 4.569 4.728 . 0 0 "[ . 1 . 2]" 2
737 1 75 ARG HB2 1 75 ARG QG . . 2.760 2.242 2.143 2.337 . 0 0 "[ . 1 . 2]" 2
738 1 46 LEU H 1 46 LEU HG . . 4.470 3.085 3.003 3.209 . 0 0 "[ . 1 . 2]" 2
739 1 41 PHE HB3 1 46 LEU HG . . 4.370 2.392 2.281 2.493 . 0 0 "[ . 1 . 2]" 2
740 1 41 PHE HB2 1 46 LEU HG . . 4.280 1.985 1.950 1.995 . 0 0 "[ . 1 . 2]" 2
741 1 31 GLN HA 1 32 PRO HG2 . . 4.730 4.359 4.278 4.426 . 0 0 "[ . 1 . 2]" 2
742 1 31 GLN HA 1 32 PRO HD3 . . 3.680 3.173 3.046 3.270 . 0 0 "[ . 1 . 2]" 2
743 1 48 ALA HA 1 51 LYS QB . . 3.490 3.316 3.011 3.686 0.196 2 0 "[ . 1 . 2]" 2
744 1 48 ALA HA 1 51 LYS QD . . 4.180 2.505 1.951 4.016 . 0 0 "[ . 1 . 2]" 2
745 1 33 LEU H 1 33 LEU MD1 . . 4.400 3.927 3.767 4.069 . 0 0 "[ . 1 . 2]" 2
746 1 33 LEU MD1 1 34 SER H . . 5.280 4.279 4.014 4.472 . 0 0 "[ . 1 . 2]" 2
747 1 33 LEU HA 1 33 LEU MD1 . . 4.140 3.851 3.769 3.909 . 0 0 "[ . 1 . 2]" 2
748 1 32 PRO HA 1 33 LEU MD1 . . 5.410 5.024 4.890 5.131 . 0 0 "[ . 1 . 2]" 2
749 1 33 LEU MD1 1 76 PRO HA . . 5.500 4.750 3.690 5.226 . 0 0 "[ . 1 . 2]" 2
750 1 33 LEU MD1 1 76 PRO HD3 . . 4.990 4.178 3.390 4.697 . 0 0 "[ . 1 . 2]" 2
751 1 33 LEU MD1 1 43 GLN HB2 . . 3.800 2.905 2.652 3.121 . 0 0 "[ . 1 . 2]" 2
752 1 33 LEU HB2 1 33 LEU MD1 . . 3.120 2.415 2.332 2.504 . 0 0 "[ . 1 . 2]" 2
753 1 33 LEU MD1 1 46 LEU MD1 . . 3.470 1.920 1.724 2.193 . 0 0 "[ . 1 . 2]" 2
754 1 33 LEU HB3 1 33 LEU MD1 . . 3.340 2.258 2.147 2.329 . 0 0 "[ . 1 . 2]" 2
755 1 35 LEU MD1 1 63 PRO HD2 . . 4.780 3.934 3.754 4.108 . 0 0 "[ . 1 . 2]" 2
756 1 35 LEU MD1 1 63 PRO HD3 . . 5.210 4.796 4.542 4.963 . 0 0 "[ . 1 . 2]" 2
757 1 26 LEU H 1 26 LEU MD1 . . 4.550 4.321 4.133 4.488 . 0 0 "[ . 1 . 2]" 2
758 1 23 PRO HA 1 26 LEU MD1 . . 5.350 4.852 4.579 5.128 . 0 0 "[ . 1 . 2]" 2
759 1 29 LEU QD 1 42 CYS H . . 3.410 3.009 2.884 3.113 . 0 0 "[ . 1 . 2]" 2
760 1 29 LEU QD 1 41 PHE H . . 4.010 3.195 2.923 3.337 . 0 0 "[ . 1 . 2]" 2
761 1 21 THR H 1 29 LEU QD . . 4.880 3.712 3.487 3.878 . 0 0 "[ . 1 . 2]" 2
762 1 22 CYS HA 1 29 LEU QD . . 3.180 2.018 1.922 2.170 . 0 0 "[ . 1 . 2]" 2
763 1 22 CYS QB 1 29 LEU QD . . 3.360 1.934 1.871 1.999 . 0 0 "[ . 1 . 2]" 2
764 1 29 LEU QD 1 40 SER HB2 . . 3.360 2.181 1.953 2.306 . 0 0 "[ . 1 . 2]" 2
765 1 29 LEU QD 1 32 PRO HD3 . . 4.320 3.034 2.887 3.371 . 0 0 "[ . 1 . 2]" 2
766 1 29 LEU QD 1 32 PRO HG2 . . 4.290 3.530 3.319 3.730 . 0 0 "[ . 1 . 2]" 2
767 1 29 LEU HB3 1 29 LEU QD . . 3.240 2.066 2.003 2.116 . 0 0 "[ . 1 . 2]" 2
768 1 29 LEU HB2 1 29 LEU QD . . 3.090 2.364 2.267 2.423 . 0 0 "[ . 1 . 2]" 2
769 1 49 ASN HA 1 52 LYS HG2 . . 4.730 4.503 2.410 5.078 0.348 7 0 "[ . 1 . 2]" 2
770 1 52 LYS HA 1 52 LYS HG2 . . 3.840 2.897 2.139 4.238 0.398 8 0 "[ . 1 . 2]" 2
771 1 52 LYS HA 1 52 LYS HG3 . . 3.840 3.504 3.224 3.642 . 0 0 "[ . 1 . 2]" 2
772 1 28 LEU HA 1 28 LEU MD2 . . 4.020 3.902 3.764 3.975 . 0 0 "[ . 1 . 2]" 2
773 1 52 LYS QE 1 55 LEU MD1 . . 4.850 3.999 2.667 4.855 0.005 11 0 "[ . 1 . 2]" 2
774 1 55 LEU H 1 55 LEU MD1 . . 4.270 2.976 1.911 4.107 . 0 0 "[ . 1 . 2]" 2
775 1 46 LEU H 1 46 LEU MD1 . . 4.640 3.463 3.405 3.533 . 0 0 "[ . 1 . 2]" 2
776 1 41 PHE QD 1 46 LEU MD1 . . 3.620 2.879 2.727 3.122 . 0 0 "[ . 1 . 2]" 2
777 1 46 LEU HA 1 46 LEU MD1 . . 3.850 3.789 3.769 3.805 . 0 0 "[ . 1 . 2]" 2
778 1 33 LEU HB2 1 46 LEU MD1 . . 3.480 2.333 2.067 2.462 . 0 0 "[ . 1 . 2]" 2
779 1 41 PHE HB2 1 46 LEU MD1 . . 4.090 1.925 1.891 2.043 . 0 0 "[ . 1 . 2]" 2
780 1 56 ASP H 1 57 LYS QG . . 5.500 4.741 3.856 5.378 . 0 0 "[ . 1 . 2]" 2
781 1 56 ASP HA 1 57 LYS QG . . 5.150 4.520 3.960 4.870 . 0 0 "[ . 1 . 2]" 2
782 1 56 ASP QB 1 57 LYS QG . . 3.830 2.746 2.399 3.698 . 0 0 "[ . 1 . 2]" 2
783 1 33 LEU HA 1 33 LEU MD2 . . 3.130 2.057 1.960 2.236 . 0 0 "[ . 1 . 2]" 2
784 1 33 LEU MD2 1 43 GLN QG . . 4.200 3.782 3.401 4.089 . 0 0 "[ . 1 . 2]" 2
785 1 33 LEU MD2 1 43 GLN HB3 . . 4.720 4.025 3.602 4.212 . 0 0 "[ . 1 . 2]" 2
786 1 33 LEU MD2 1 76 PRO QG . . 4.330 3.450 2.796 4.089 . 0 0 "[ . 1 . 2]" 2
787 1 29 LEU QD 1 30 THR H . . 3.730 3.412 3.167 3.598 . 0 0 "[ . 1 . 2]" 2
788 1 29 LEU QD 1 41 PHE QD . . 5.340 4.070 3.934 4.180 . 0 0 "[ . 1 . 2]" 2
789 1 29 LEU QD 1 41 PHE HA . . 3.440 2.194 2.084 2.347 . 0 0 "[ . 1 . 2]" 2
790 1 29 LEU HA 1 29 LEU QD . . 3.060 1.958 1.891 2.102 . 0 0 "[ . 1 . 2]" 2
791 1 23 PRO QD 1 29 LEU QD . . 4.080 2.486 2.280 2.541 . 0 0 "[ . 1 . 2]" 2
792 1 33 LEU MD2 1 76 PRO HA . . 3.560 3.217 1.991 3.567 0.007 19 0 "[ . 1 . 2]" 2
793 1 33 LEU MD2 1 76 PRO HB2 . . 4.240 3.621 3.315 4.036 . 0 0 "[ . 1 . 2]" 2
794 1 33 LEU HB3 1 33 LEU MD2 . . 3.400 2.387 2.321 2.480 . 0 0 "[ . 1 . 2]" 2
795 1 21 THR H 1 28 LEU MD1 . . 4.950 5.178 4.902 5.402 0.452 2 0 "[ . 1 . 2]" 2
796 1 18 GLU QB 1 28 LEU MD1 . . 3.790 1.897 1.744 2.159 . 0 0 "[ . 1 . 2]" 2
797 1 28 LEU H 1 28 LEU MD1 . . 4.190 4.282 4.077 4.452 0.262 2 0 "[ . 1 . 2]" 2
798 1 21 THR HA 1 28 LEU MD1 . . 3.750 3.575 3.453 3.756 0.006 2 0 "[ . 1 . 2]" 2
799 1 28 LEU HA 1 28 LEU MD1 . . 2.950 2.114 1.967 2.270 . 0 0 "[ . 1 . 2]" 2
800 1 20 VAL HB 1 28 LEU MD1 . . 3.920 3.807 3.505 3.938 0.018 15 0 "[ . 1 . 2]" 2
801 1 28 LEU QB 1 28 LEU MD1 . . 3.040 2.331 2.215 2.475 . 0 0 "[ . 1 . 2]" 2
802 1 23 PRO QD 1 41 PHE QD . . 3.780 3.006 2.890 3.074 . 0 0 "[ . 1 . 2]" 2
803 1 23 PRO QD 1 41 PHE HA . . 4.020 2.796 2.712 2.856 . 0 0 "[ . 1 . 2]" 2
804 1 22 CYS HA 1 23 PRO QD . . 3.160 1.898 1.886 1.903 . 0 0 "[ . 1 . 2]" 2
805 1 23 PRO QD 1 24 ILE HB . . 4.910 4.239 4.187 4.275 . 0 0 "[ . 1 . 2]" 2
806 1 23 PRO QD 1 64 VAL MG2 . . 4.510 4.008 3.852 4.094 . 0 0 "[ . 1 . 2]" 2
807 1 46 LEU MD2 1 62 CYS HA . . 4.720 4.176 3.597 4.566 . 0 0 "[ . 1 . 2]" 2
808 1 43 GLN HA 1 46 LEU MD2 . . 5.330 5.515 5.486 5.541 0.211 3 0 "[ . 1 . 2]" 2
809 1 55 LEU HA 1 55 LEU MD2 . . 4.070 3.543 2.403 4.032 . 0 0 "[ . 1 . 2]" 2
810 1 52 LYS QE 1 55 LEU MD2 . . 4.850 4.173 2.158 4.879 0.029 16 0 "[ . 1 . 2]" 2
811 1 41 PHE QD 1 46 LEU MD2 . . 3.760 3.228 3.108 3.413 . 0 0 "[ . 1 . 2]" 2
812 1 46 LEU HA 1 46 LEU MD2 . . 3.390 2.370 2.183 2.579 . 0 0 "[ . 1 . 2]" 2
813 1 41 PHE HB3 1 46 LEU MD2 . . 4.220 3.738 3.612 3.865 . 0 0 "[ . 1 . 2]" 2
814 1 46 LEU MD2 1 49 ASN HB3 . . 4.970 3.715 3.166 4.109 . 0 0 "[ . 1 . 2]" 2
815 1 41 PHE HB2 1 46 LEU MD2 . . 4.230 2.982 2.899 3.076 . 0 0 "[ . 1 . 2]" 2
816 1 46 LEU HB2 1 46 LEU MD2 . . 3.480 3.152 3.127 3.174 . 0 0 "[ . 1 . 2]" 2
817 1 46 LEU MD2 1 63 PRO HG3 . . 4.880 4.229 3.716 4.465 . 0 0 "[ . 1 . 2]" 2
818 1 24 ILE H 1 26 LEU MD2 . . 4.440 3.344 3.197 3.546 . 0 0 "[ . 1 . 2]" 2
819 1 26 LEU MD2 1 27 GLU H . . 4.260 4.476 4.283 4.590 0.330 10 0 "[ . 1 . 2]" 2
820 1 25 CYS H 1 26 LEU MD2 . . 4.110 4.302 4.213 4.367 0.257 16 0 "[ . 1 . 2]" 2
821 1 23 PRO HA 1 26 LEU MD2 . . 3.170 2.362 2.101 2.658 . 0 0 "[ . 1 . 2]" 2
822 1 26 LEU HA 1 26 LEU MD2 . . 2.770 2.233 2.075 2.350 . 0 0 "[ . 1 . 2]" 2
823 1 22 CYS QB 1 26 LEU MD2 . . 5.320 4.408 4.306 4.481 . 0 0 "[ . 1 . 2]" 2
824 1 23 PRO QB 1 26 LEU MD2 . . 4.560 3.766 3.584 4.019 . 0 0 "[ . 1 . 2]" 2
825 1 26 LEU QB 1 26 LEU MD2 . . 2.960 2.253 2.171 2.393 . 0 0 "[ . 1 . 2]" 2
826 1 75 ARG HB2 1 76 PRO HD3 . . 4.120 3.613 3.436 3.865 . 0 0 "[ . 1 . 2]" 2
827 1 74 ILE MG 1 76 PRO HD3 . . 4.650 4.369 4.026 4.525 . 0 0 "[ . 1 . 2]" 2
828 1 75 ARG H 1 76 PRO HD3 . . 4.850 4.749 4.630 4.861 0.011 6 0 "[ . 1 . 2]" 2
829 1 46 LEU MD2 1 63 PRO HD3 . . 4.340 3.761 3.027 4.113 . 0 0 "[ . 1 . 2]" 2
830 1 62 CYS HA 1 63 PRO HD3 . . 3.200 2.331 2.279 2.407 . 0 0 "[ . 1 . 2]" 2
831 1 41 PHE QE 1 63 PRO HD3 . . 4.600 4.379 4.275 4.464 . 0 0 "[ . 1 . 2]" 2
832 1 24 ILE MD 1 63 PRO HD3 . . 4.540 4.292 3.945 4.478 . 0 0 "[ . 1 . 2]" 2
833 1 31 GLN HA 1 32 PRO HD2 . . 2.980 2.289 2.177 2.379 . 0 0 "[ . 1 . 2]" 2
834 1 75 ARG H 1 76 PRO HD2 . . 4.860 4.801 4.771 4.832 . 0 0 "[ . 1 . 2]" 2
835 1 31 GLN QG 1 32 PRO HD2 . . 5.080 4.430 4.100 4.797 . 0 0 "[ . 1 . 2]" 2
836 1 75 ARG HB2 1 76 PRO HD2 . . 3.450 2.201 2.001 2.503 . 0 0 "[ . 1 . 2]" 2
837 1 24 ILE MD 1 63 PRO HD2 . . 4.450 4.296 3.997 4.465 0.015 11 0 "[ . 1 . 2]" 2
838 1 41 PHE QE 1 63 PRO HD2 . . 4.150 3.217 3.069 3.343 . 0 0 "[ . 1 . 2]" 2
839 1 41 PHE HZ 1 63 PRO HD2 . . 4.240 3.008 2.967 3.074 . 0 0 "[ . 1 . 2]" 2
840 1 62 CYS HA 1 63 PRO HD2 . . 3.290 1.974 1.925 2.040 . 0 0 "[ . 1 . 2]" 2
841 1 62 CYS QB 1 63 PRO HD2 . . 4.320 3.703 3.553 3.826 . 0 0 "[ . 1 . 2]" 2
842 1 63 PRO HD2 1 64 VAL MG2 . . 3.970 3.473 3.303 3.976 0.006 14 0 "[ . 1 . 2]" 2
843 1 46 LEU MD2 1 63 PRO HD2 . . 4.460 3.845 3.357 4.149 . 0 0 "[ . 1 . 2]" 2
844 1 31 GLN H 1 32 PRO HD3 . . 4.550 2.679 2.220 3.108 . 0 0 "[ . 1 . 2]" 2
845 1 29 LEU HA 1 32 PRO HD3 . . 3.660 3.472 3.207 4.197 0.537 20 1 "[ . 1 . +]" 2
846 1 30 THR HA 1 32 PRO HD3 . . 3.850 3.512 3.343 3.641 . 0 0 "[ . 1 . 2]" 2
847 1 31 GLN QG 1 32 PRO HD3 . . 5.090 4.603 4.153 5.064 . 0 0 "[ . 1 . 2]" 2
848 1 29 LEU HB3 1 32 PRO HD3 . . 4.350 2.650 2.586 2.797 . 0 0 "[ . 1 . 2]" 2
849 1 20 VAL QG 1 32 PRO HD3 . . 4.790 3.889 3.517 4.144 . 0 0 "[ . 1 . 2]" 2
850 1 40 SER H 1 64 VAL MG2 . . 5.500 5.132 4.735 5.540 0.040 8 0 "[ . 1 . 2]" 2
851 1 39 HIS HB2 1 64 VAL MG2 . . 4.440 3.764 3.447 4.302 . 0 0 "[ . 1 . 2]" 2
852 1 64 VAL MG2 1 65 CYS H . . 3.880 3.749 3.653 3.928 0.048 14 0 "[ . 1 . 2]" 2
853 1 64 VAL H 1 64 VAL MG2 . . 4.490 2.635 2.443 3.073 . 0 0 "[ . 1 . 2]" 2
854 1 41 PHE QE 1 64 VAL MG2 . . 3.310 2.252 2.059 2.430 . 0 0 "[ . 1 . 2]" 2
855 1 41 PHE HZ 1 64 VAL MG2 . . 3.120 1.941 1.800 2.162 . 0 0 "[ . 1 . 2]" 2
856 1 23 PRO HA 1 64 VAL MG2 . . 4.480 4.601 4.336 4.831 0.351 20 0 "[ . 1 . 2]" 2
857 1 64 VAL HA 1 64 VAL MG2 . . 2.910 2.376 2.102 2.455 . 0 0 "[ . 1 . 2]" 2
858 1 63 PRO HD3 1 64 VAL MG2 . . 5.150 4.730 4.591 5.210 0.060 14 0 "[ . 1 . 2]" 2
859 1 39 HIS HB3 1 64 VAL MG2 . . 3.880 2.835 2.550 3.410 . 0 0 "[ . 1 . 2]" 2
860 1 23 PRO QB 1 64 VAL MG2 . . 3.200 2.400 2.182 2.610 . 0 0 "[ . 1 . 2]" 2
861 1 23 PRO HG3 1 64 VAL MG2 . . 3.330 2.517 2.368 2.619 . 0 0 "[ . 1 . 2]" 2
862 1 30 THR MG 1 31 GLN H . . 4.400 2.415 1.761 3.331 . 0 0 "[ . 1 . 2]" 2
863 1 30 THR H 1 30 THR MG . . 3.820 2.661 1.864 3.851 0.031 20 0 "[ . 1 . 2]" 2
864 1 30 THR HA 1 30 THR MG . . 3.240 2.832 2.229 3.207 . 0 0 "[ . 1 . 2]" 2
865 1 30 THR MG 1 31 GLN QG . . 3.480 2.594 1.978 3.499 0.019 10 0 "[ . 1 . 2]" 2
866 1 28 LEU MD1 1 30 THR MG . . 4.750 4.205 3.614 4.635 . 0 0 "[ . 1 . 2]" 2
867 1 21 THR MG 1 26 LEU H . . 3.980 3.828 3.729 3.916 . 0 0 "[ . 1 . 2]" 2
868 1 21 THR HA 1 21 THR MG . . 2.960 2.283 2.205 2.367 . 0 0 "[ . 1 . 2]" 2
869 1 21 THR MG 1 27 GLU HA . . 3.810 3.543 2.943 3.860 0.050 4 0 "[ . 1 . 2]" 2
870 1 21 THR MG 1 26 LEU HA . . 3.200 2.252 2.131 2.372 . 0 0 "[ . 1 . 2]" 2
871 1 21 THR MG 1 22 CYS QB . . 4.550 3.408 3.314 3.480 . 0 0 "[ . 1 . 2]" 2
872 1 21 THR MG 1 26 LEU QB . . 3.720 3.287 3.112 3.419 . 0 0 "[ . 1 . 2]" 2
873 1 21 THR H 1 21 THR MG . . 3.700 3.899 3.871 3.938 0.238 12 0 "[ . 1 . 2]" 2
874 1 21 THR MG 1 28 LEU QB . . 3.920 4.258 4.165 4.383 0.463 3 0 "[ . 1 . 2]" 2
875 1 21 THR MG 1 29 LEU HG . . 4.120 4.030 3.911 4.134 0.014 19 0 "[ . 1 . 2]" 2
876 1 47 THR MG 1 48 ALA H . . 3.910 3.334 2.073 3.555 . 0 0 "[ . 1 . 2]" 2
877 1 47 THR MG 1 48 ALA HA . . 3.530 3.396 3.120 3.545 0.015 13 0 "[ . 1 . 2]" 2
878 1 47 THR HA 1 47 THR MG . . 3.080 2.475 2.329 3.157 0.077 7 0 "[ . 1 . 2]" 2
879 1 47 THR MG 1 51 LYS QB . . 4.910 4.288 2.733 4.914 0.004 13 0 "[ . 1 . 2]" 2
880 1 47 THR MG 1 51 LYS QD . . 4.060 2.874 2.117 3.712 . 0 0 "[ . 1 . 2]" 2
881 1 80 VAL HA 1 80 VAL MG1 . . 3.320 2.387 2.226 3.186 . 0 0 "[ . 1 . 2]" 2
882 1 20 VAL QG 1 32 PRO HD2 . . 5.460 4.236 3.778 4.590 . 0 0 "[ . 1 . 2]" 2
883 1 20 VAL QG 1 21 THR HA . . 4.910 3.713 3.461 3.876 . 0 0 "[ . 1 . 2]" 2
884 1 79 HIS HA 1 80 VAL MG2 . . 5.340 4.133 3.566 5.437 0.097 13 0 "[ . 1 . 2]" 2
885 1 64 VAL MG1 1 65 CYS H . . 4.510 3.213 2.763 3.481 . 0 0 "[ . 1 . 2]" 2
886 1 64 VAL H 1 64 VAL MG1 . . 4.490 3.812 3.685 3.852 . 0 0 "[ . 1 . 2]" 2
887 1 39 HIS HE1 1 64 VAL MG1 . . 3.810 2.781 2.550 3.038 . 0 0 "[ . 1 . 2]" 2
888 1 41 PHE QE 1 64 VAL MG1 . . 4.750 4.568 4.426 4.671 . 0 0 "[ . 1 . 2]" 2
889 1 64 VAL HA 1 64 VAL MG1 . . 2.990 2.426 2.316 2.558 . 0 0 "[ . 1 . 2]" 2
890 1 39 HIS HB2 1 64 VAL MG1 . . 4.700 4.362 4.158 4.462 . 0 0 "[ . 1 . 2]" 2
891 1 62 CYS QB 1 64 VAL MG1 . . 5.160 5.027 4.649 5.200 0.040 5 0 "[ . 1 . 2]" 2
892 1 39 HIS HB3 1 64 VAL MG1 . . 4.560 3.832 3.643 4.011 . 0 0 "[ . 1 . 2]" 2
893 1 23 PRO HG2 1 64 VAL MG1 . . 5.500 5.361 5.178 5.530 0.030 14 0 "[ . 1 . 2]" 2
894 1 23 PRO QB 1 64 VAL MG1 . . 4.760 3.840 3.546 4.106 . 0 0 "[ . 1 . 2]" 2
895 1 23 PRO QB 1 41 PHE HZ . . 4.970 4.418 4.358 4.496 . 0 0 "[ . 1 . 2]" 2
896 1 41 PHE HZ 1 63 PRO HG3 . . 5.190 4.654 4.508 4.795 . 0 0 "[ . 1 . 2]" 2
897 1 41 PHE HZ 1 64 VAL HB . . 4.590 2.888 2.600 3.025 . 0 0 "[ . 1 . 2]" 2
898 1 24 ILE MD 1 41 PHE HZ . . 4.940 4.999 4.917 5.191 0.251 10 0 "[ . 1 . 2]" 2
899 1 35 LEU MD1 1 41 PHE QE . . 4.230 1.936 1.796 2.085 . 0 0 "[ . 1 . 2]" 2
900 1 39 HIS HA 1 39 HIS HD2 . . 3.350 2.682 2.543 2.912 . 0 0 "[ . 1 . 2]" 2
901 1 39 HIS HB3 1 39 HIS HD2 . . 3.910 3.094 2.956 3.204 . 0 0 "[ . 1 . 2]" 2
902 1 39 HIS HD2 1 64 VAL MG2 . . 4.560 3.931 3.588 4.292 . 0 0 "[ . 1 . 2]" 2
903 1 39 HIS HD2 1 64 VAL MG1 . . 4.040 3.201 2.926 3.594 . 0 0 "[ . 1 . 2]" 2
904 1 34 SER HA 1 41 PHE QD . . 5.500 5.140 4.729 5.342 . 0 0 "[ . 1 . 2]" 2
905 1 34 SER HA 1 35 LEU HG . . 4.430 3.425 3.275 3.605 . 0 0 "[ . 1 . 2]" 2
906 1 34 SER HB2 1 40 SER HA . . 5.500 5.394 5.164 5.546 0.046 16 0 "[ . 1 . 2]" 2
907 1 29 LEU QD 1 40 SER HA . . 4.410 4.141 3.907 4.257 . 0 0 "[ . 1 . 2]" 2
908 1 33 LEU H 1 40 SER HA . . 4.770 3.980 3.805 4.151 . 0 0 "[ . 1 . 2]" 2
909 1 40 SER HA 1 41 PHE QD . . 3.820 2.800 2.699 2.867 . 0 0 "[ . 1 . 2]" 2
910 1 34 SER HA 1 40 SER HA . . 3.440 3.302 3.097 3.447 0.007 10 0 "[ . 1 . 2]" 2
911 1 39 HIS HA 1 40 SER HA . . 4.910 4.373 4.368 4.383 . 0 0 "[ . 1 . 2]" 2
912 1 35 LEU HG 1 40 SER HA . . 4.810 3.770 3.349 4.261 . 0 0 "[ . 1 . 2]" 2
913 1 22 CYS HA 1 41 PHE HA . . 4.030 3.573 3.454 3.649 . 0 0 "[ . 1 . 2]" 2
914 1 22 CYS QB 1 41 PHE HA . . 4.590 3.982 3.836 4.089 . 0 0 "[ . 1 . 2]" 2
915 1 39 HIS HE1 1 64 VAL HB . . 4.730 3.687 3.325 4.192 . 0 0 "[ . 1 . 2]" 2
916 1 39 HIS HE1 1 62 CYS QB . . 5.500 5.283 5.082 5.458 . 0 0 "[ . 1 . 2]" 2
917 1 39 HIS HB2 1 39 HIS HE1 . . 4.880 4.717 4.714 4.722 . 0 0 "[ . 1 . 2]" 2
918 1 50 HIS HE1 1 69 TYR QE . . 5.500 4.395 3.061 5.077 . 0 0 "[ . 1 . 2]" 2
919 1 46 LEU MD1 1 50 HIS HE1 . . 4.480 4.064 3.677 4.505 0.025 18 0 "[ . 1 . 2]" 2
920 1 69 TYR QD 1 70 GLN H . . 5.490 3.721 2.714 4.606 . 0 0 "[ . 1 . 2]" 2
921 1 22 CYS HA 1 41 PHE QD . . 4.990 4.831 4.763 4.881 . 0 0 "[ . 1 . 2]" 2
922 1 41 PHE QD 1 63 PRO HD2 . . 4.590 4.340 4.031 4.504 . 0 0 "[ . 1 . 2]" 2
923 1 39 HIS HB3 1 41 PHE QD . . 4.410 4.204 4.072 4.309 . 0 0 "[ . 1 . 2]" 2
924 1 23 PRO QB 1 41 PHE QD . . 4.530 4.275 4.174 4.342 . 0 0 "[ . 1 . 2]" 2
925 1 23 PRO HG3 1 41 PHE QD . . 3.370 3.628 3.442 3.714 0.344 4 0 "[ . 1 . 2]" 2
926 1 41 PHE QD 1 42 CYS H . . 4.300 3.811 3.723 3.893 . 0 0 "[ . 1 . 2]" 2
927 1 41 PHE HA 1 41 PHE QD . . 3.710 3.119 3.089 3.151 . 0 0 "[ . 1 . 2]" 2
928 1 35 LEU MD1 1 41 PHE QD . . 3.680 2.313 1.988 2.590 . 0 0 "[ . 1 . 2]" 2
929 1 10 SER QB 1 12 ILE HB . . 4.970 4.661 3.552 4.970 0.000 14 0 "[ . 1 . 2]" 2
930 1 41 PHE HB3 1 46 LEU MD1 . . 4.160 3.175 3.109 3.280 . 0 0 "[ . 1 . 2]" 2
931 1 75 ARG H 1 75 ARG HB2 . . 4.040 3.947 3.826 4.042 0.002 5 0 "[ . 1 . 2]" 2
932 1 74 ILE HA 1 74 ILE MG . . 2.940 2.356 2.289 2.473 . 0 0 "[ . 1 . 2]" 2
933 1 12 ILE HA 1 12 ILE HG13 . . 4.240 3.499 2.687 3.739 . 0 0 "[ . 1 . 2]" 2
934 1 51 LYS HA 1 51 LYS QD . . 4.130 4.030 2.461 4.423 0.293 8 0 "[ . 1 . 2]" 2
935 1 18 GLU QB 1 19 GLU H . . 3.830 2.847 2.390 3.344 . 0 0 "[ . 1 . 2]" 2
936 1 18 GLU HA 1 28 LEU MD1 . . 4.540 3.798 3.162 4.219 . 0 0 "[ . 1 . 2]" 2
937 1 20 VAL HB 1 29 LEU QD . . 4.220 4.059 3.821 4.293 0.073 13 0 "[ . 1 . 2]" 2
938 1 14 VAL HA 1 14 VAL MG2 . . 3.230 2.359 2.261 2.457 . 0 0 "[ . 1 . 2]" 2
939 1 16 VAL HA 1 16 VAL MG2 . . 3.490 3.075 2.612 3.202 . 0 0 "[ . 1 . 2]" 2
940 1 23 PRO HG2 1 41 PHE HA . . 4.930 4.323 4.260 4.373 . 0 0 "[ . 1 . 2]" 2
941 1 25 CYS H 1 25 CYS HB2 . . 3.840 3.608 3.593 3.620 . 0 0 "[ . 1 . 2]" 2
942 1 25 CYS H 1 26 LEU HA . . 4.730 4.670 4.631 4.716 . 0 0 "[ . 1 . 2]" 2
943 1 26 LEU H 1 26 LEU MD2 . . 3.170 2.656 2.410 2.866 . 0 0 "[ . 1 . 2]" 2
944 1 27 GLU HB2 1 28 LEU QB . . 5.470 4.247 3.756 4.928 . 0 0 "[ . 1 . 2]" 2
945 1 22 CYS H 1 29 LEU HB3 . . 5.440 5.149 4.994 5.285 . 0 0 "[ . 1 . 2]" 2
946 1 29 LEU QD 1 42 CYS HB2 . . 3.880 3.872 3.754 3.950 0.070 7 0 "[ . 1 . 2]" 2
947 1 41 PHE HZ 1 62 CYS HA . . 5.100 4.272 3.966 4.557 . 0 0 "[ . 1 . 2]" 2
948 1 32 PRO HG3 1 33 LEU H . . 5.430 4.953 4.623 5.165 . 0 0 "[ . 1 . 2]" 2
949 1 29 LEU HB3 1 32 PRO HG2 . . 4.450 3.710 3.633 3.881 . 0 0 "[ . 1 . 2]" 2
950 1 33 LEU HB3 1 43 GLN HA . . 5.390 5.073 4.869 5.326 . 0 0 "[ . 1 . 2]" 2
951 1 33 LEU HB3 1 46 LEU MD2 . . 5.500 5.398 5.057 5.558 0.058 18 0 "[ . 1 . 2]" 2
952 1 33 LEU MD1 1 41 PHE H . . 5.500 4.956 4.648 5.135 . 0 0 "[ . 1 . 2]" 2
953 1 33 LEU MD1 1 75 ARG H . . 5.500 5.819 4.523 6.307 0.807 6 9 "[* *.+** 1* . **-2]" 2
954 1 35 LEU HG 1 39 HIS HB2 . . 5.010 4.961 4.429 5.372 0.362 1 0 "[ . 1 . 2]" 2
955 1 40 SER HA 1 41 PHE HB2 . . 4.890 4.472 4.429 4.519 . 0 0 "[ . 1 . 2]" 2
956 1 40 SER HB2 1 41 PHE QD . . 4.970 4.833 4.744 4.915 . 0 0 "[ . 1 . 2]" 2
957 1 40 SER HB3 1 41 PHE QD . . 5.210 4.707 4.598 4.809 . 0 0 "[ . 1 . 2]" 2
958 1 32 PRO HA 1 42 CYS HB3 . . 5.500 5.274 5.039 5.554 0.054 19 0 "[ . 1 . 2]" 2
959 1 30 THR H 1 31 GLN QG . . 4.860 4.839 3.656 5.931 1.071 20 4 "[ * . - 1 . * +]" 2
960 1 44 ALA H 1 44 ALA MB . . 3.020 2.301 2.164 2.361 . 0 0 "[ . 1 . 2]" 2
961 1 24 ILE HB 1 45 CYS QB . . 3.830 2.601 2.554 2.646 . 0 0 "[ . 1 . 2]" 2
962 1 45 CYS QB 1 46 LEU H . . 3.870 2.615 2.516 2.718 . 0 0 "[ . 1 . 2]" 2
963 1 24 ILE HG13 1 45 CYS QB . . 5.100 3.933 3.893 3.975 . 0 0 "[ . 1 . 2]" 2
964 1 46 LEU HB3 1 46 LEU MD1 . . 3.240 2.555 2.502 2.590 . 0 0 "[ . 1 . 2]" 2
965 1 47 THR H 1 48 ALA HA . . 5.500 5.329 5.251 5.414 . 0 0 "[ . 1 . 2]" 2
966 1 50 HIS HA 1 50 HIS HD2 . . 4.620 2.990 2.233 4.680 0.060 19 0 "[ . 1 . 2]" 2
967 1 63 PRO HA 1 66 ARG HD2 . . 4.580 3.306 2.042 4.513 . 0 0 "[ . 1 . 2]" 2
968 1 16 VAL MG2 1 17 LYS QD . . 5.170 3.640 2.730 4.165 . 0 0 "[ . 1 . 2]" 2
969 1 53 SER HA 1 57 LYS QG . . 5.080 4.285 3.147 5.452 0.372 1 0 "[ . 1 . 2]" 2
970 1 54 MET HG3 1 55 LEU H . . 5.150 4.730 4.087 5.148 . 0 0 "[ . 1 . 2]" 2
971 1 51 LYS HA 1 54 MET HG3 . . 5.370 4.075 1.987 5.201 . 0 0 "[ . 1 . 2]" 2
972 1 51 LYS HA 1 54 MET HG2 . . 5.370 3.450 2.003 4.750 . 0 0 "[ . 1 . 2]" 2
973 1 54 MET ME 1 54 MET HG2 . . 3.800 2.807 1.992 3.400 . 0 0 "[ . 1 . 2]" 2
974 1 54 MET ME 1 54 MET HG3 . . 3.800 2.809 1.989 3.395 . 0 0 "[ . 1 . 2]" 2
975 1 39 HIS HE1 1 64 VAL MG2 . . 5.150 4.787 4.563 5.101 . 0 0 "[ . 1 . 2]" 2
976 1 46 LEU HB2 1 50 HIS HE1 . . 4.970 4.832 3.940 5.676 0.706 2 1 "[ + . 1 . 2]" 2
977 1 24 ILE MD 1 41 PHE QE . . 5.240 3.187 3.066 3.409 . 0 0 "[ . 1 . 2]" 2
978 1 23 PRO QD 1 41 PHE HZ . . 5.500 4.901 4.873 4.934 . 0 0 "[ . 1 . 2]" 2
979 1 41 PHE HZ 1 63 PRO HD3 . . 5.200 4.749 4.722 4.797 . 0 0 "[ . 1 . 2]" 2
980 1 74 ILE HB 1 74 ILE MD . . 3.200 2.444 2.150 3.216 0.016 8 0 "[ . 1 . 2]" 2
981 1 41 PHE HZ 1 64 VAL MG1 . . 4.840 3.987 3.906 4.110 . 0 0 "[ . 1 . 2]" 2
982 1 74 ILE HA 1 75 ARG QG . . 4.810 3.922 3.688 4.306 . 0 0 "[ . 1 . 2]" 2
983 1 69 TYR QD 1 74 ILE HG12 . . 5.030 3.644 2.935 4.886 . 0 0 "[ . 1 . 2]" 2
984 1 69 TYR QE 1 74 ILE HG12 . . 5.370 3.827 2.095 5.189 . 0 0 "[ . 1 . 2]" 2
985 1 69 TYR QE 1 74 ILE HG13 . . 5.370 4.239 3.470 4.839 . 0 0 "[ . 1 . 2]" 2
986 1 74 ILE MG 1 75 ARG QD . . 5.500 5.230 3.937 5.561 0.061 6 0 "[ . 1 . 2]" 2
987 1 69 TYR QD 1 74 ILE MG . . 5.360 4.494 4.401 4.644 . 0 0 "[ . 1 . 2]" 2
988 1 75 ARG QG 1 76 PRO HD2 . . 3.810 3.730 3.536 3.836 0.026 6 0 "[ . 1 . 2]" 2
989 1 39 HIS HA 1 41 PHE HZ . . 5.480 5.051 4.832 5.206 . 0 0 "[ . 1 . 2]" 2
990 1 44 ALA MB 1 45 CYS H . . 3.920 2.279 2.136 2.439 . 0 0 "[ . 1 . 2]" 2
991 1 43 GLN QG 1 47 THR HB . . 5.500 5.333 4.599 5.520 0.020 19 0 "[ . 1 . 2]" 2
992 1 62 CYS QB 1 66 ARG H . . 4.410 2.053 1.883 3.245 . 0 0 "[ . 1 . 2]" 2
993 1 79 HIS HA 1 80 VAL MG1 . . 5.340 4.494 3.797 5.597 0.257 12 0 "[ . 1 . 2]" 2
994 1 62 CYS QB 1 67 ILE HA . . 5.230 4.677 4.444 5.071 . 0 0 "[ . 1 . 2]" 2
995 1 66 ARG QB 1 66 ARG HD2 . . 3.780 2.878 2.100 3.468 . 0 0 "[ . 1 . 2]" 2
996 1 66 ARG QB 1 66 ARG HD3 . . 3.780 2.733 2.071 3.463 . 0 0 "[ . 1 . 2]" 2
997 1 24 ILE MD 1 42 CYS HB2 . . 5.100 4.046 4.022 4.068 . 0 0 "[ . 1 . 2]" 2
998 1 42 CYS HB2 1 46 LEU MD1 . . 5.500 5.070 4.935 5.192 . 0 0 "[ . 1 . 2]" 2
999 1 42 CYS HB3 1 46 LEU MD1 . . 5.500 5.576 5.440 5.691 0.191 10 0 "[ . 1 . 2]" 2
1000 1 29 LEU QD 1 42 CYS HB3 . . 4.230 3.923 3.811 4.063 . 0 0 "[ . 1 . 2]" 2
1001 1 24 ILE HB 1 45 CYS HA . . 5.040 4.971 4.918 5.016 . 0 0 "[ . 1 . 2]" 2
1002 1 11 GLY QA 1 12 ILE HG12 . . 5.500 4.794 4.160 5.618 0.118 4 0 "[ . 1 . 2]" 2
1003 1 14 VAL HA 1 14 VAL MG1 . . 3.230 2.679 2.316 3.204 . 0 0 "[ . 1 . 2]" 2
1004 1 54 MET ME 1 55 LEU H . . 5.500 5.029 4.345 5.521 0.021 17 0 "[ . 1 . 2]" 2
1005 1 54 MET ME 1 58 GLY QA . . 3.850 3.579 2.104 3.890 0.040 15 0 "[ . 1 . 2]" 2
1006 1 55 LEU HA 1 56 ASP QB . . 5.490 5.190 4.875 5.465 . 0 0 "[ . 1 . 2]" 2
1007 1 56 ASP QB 1 57 LYS QE . . 4.760 4.128 2.948 5.448 0.688 10 5 "[ - . + * .* * 2]" 2
1008 1 63 PRO HA 1 66 ARG QB . . 5.310 5.143 4.867 5.297 . 0 0 "[ . 1 . 2]" 2
1009 1 23 PRO QB 1 41 PHE QE . . 4.770 3.082 3.031 3.126 . 0 0 "[ . 1 . 2]" 2
1010 1 8 MET HB2 1 10 SER QB . . 4.500 4.044 3.288 4.484 . 0 0 "[ . 1 . 2]" 2
1011 1 16 VAL H 1 16 VAL MG2 . . 3.800 2.524 1.991 3.624 . 0 0 "[ . 1 . 2]" 2
1012 1 21 THR HB 1 29 LEU HG . . 5.210 5.286 5.111 5.396 0.186 6 0 "[ . 1 . 2]" 2
1013 1 33 LEU MD2 1 43 GLN HB2 . . 4.220 2.512 1.986 2.699 . 0 0 "[ . 1 . 2]" 2
1014 1 24 ILE H 1 45 CYS QB . . 4.910 4.653 4.610 4.673 . 0 0 "[ . 1 . 2]" 2
1015 1 23 PRO QD 1 45 CYS QB . . 5.500 5.119 5.080 5.143 . 0 0 "[ . 1 . 2]" 2
1016 1 45 CYS QB 1 46 LEU HA . . 5.100 3.886 3.858 3.919 . 0 0 "[ . 1 . 2]" 2
1017 1 46 LEU HG 1 50 HIS HE1 . . 5.240 5.078 4.655 5.246 0.006 12 0 "[ . 1 . 2]" 2
1018 1 46 LEU HB2 1 47 THR HB . . 5.470 5.128 4.561 5.216 . 0 0 "[ . 1 . 2]" 2
1019 1 47 THR HB 1 51 LYS QD . . 5.500 4.961 4.186 5.533 0.033 9 0 "[ . 1 . 2]" 2
1020 1 33 LEU MD1 1 46 LEU MD2 . . 3.960 3.927 3.699 4.088 0.128 7 0 "[ . 1 . 2]" 2
1021 1 46 LEU MD2 1 74 ILE MG . . 4.580 4.483 3.934 5.005 0.425 10 0 "[ . 1 . 2]" 2
1022 1 49 ASN HB2 1 50 HIS H . . 4.990 3.845 3.532 4.140 . 0 0 "[ . 1 . 2]" 2
1023 1 51 LYS HA 1 51 LYS HG3 . . 4.040 3.046 2.166 3.902 . 0 0 "[ . 1 . 2]" 2
1024 1 51 LYS HA 1 51 LYS HG2 . . 4.040 3.155 2.580 3.852 . 0 0 "[ . 1 . 2]" 2
1025 1 51 LYS QB 1 51 LYS QD . . 3.120 2.117 2.024 2.430 . 0 0 "[ . 1 . 2]" 2
1026 1 57 LYS QB 1 57 LYS QD . . 3.410 2.187 2.032 2.472 . 0 0 "[ . 1 . 2]" 2
1027 1 49 ASN HA 1 52 LYS HG3 . . 4.730 4.111 2.924 5.059 0.329 17 0 "[ . 1 . 2]" 2
1028 1 55 LEU HG 1 56 ASP H . . 5.360 3.729 1.954 5.078 . 0 0 "[ . 1 . 2]" 2
1029 1 55 LEU HA 1 55 LEU HG . . 3.810 3.139 2.286 3.738 . 0 0 "[ . 1 . 2]" 2
1030 1 17 LYS HA 1 17 LYS QD . . 4.700 3.627 2.989 3.847 . 0 0 "[ . 1 . 2]" 2
1031 1 57 LYS HA 1 57 LYS QD . . 5.020 3.767 2.001 4.461 . 0 0 "[ . 1 . 2]" 2
1032 1 46 LEU MD2 1 63 PRO HG2 . . 4.880 4.918 4.536 5.142 0.262 17 0 "[ . 1 . 2]" 2
1033 1 29 LEU QD 1 32 PRO HD2 . . 5.090 4.160 4.076 4.346 . 0 0 "[ . 1 . 2]" 2
1034 1 23 PRO QB 1 64 VAL HA . . 4.980 4.598 4.319 4.747 . 0 0 "[ . 1 . 2]" 2
1035 1 32 PRO HB3 1 41 PHE HA . . 5.500 3.956 3.775 4.224 . 0 0 "[ . 1 . 2]" 2
1036 1 41 PHE HB3 1 45 CYS QB . . 4.940 3.164 3.129 3.236 . 0 0 "[ . 1 . 2]" 2
1037 1 41 PHE HB3 1 46 LEU H . . 4.970 3.906 3.769 4.027 . 0 0 "[ . 1 . 2]" 2
1038 1 42 CYS H 1 42 CYS HB3 . . 4.200 3.624 3.599 3.638 . 0 0 "[ . 1 . 2]" 2
1039 1 32 PRO HA 1 43 GLN HA . . 5.110 5.477 5.333 5.530 0.420 17 0 "[ . 1 . 2]" 2
1040 1 33 LEU MD2 1 43 GLN HA . . 3.880 3.308 3.066 3.468 . 0 0 "[ . 1 . 2]" 2
1041 1 42 CYS HB3 1 43 GLN HB3 . . 4.860 4.594 4.507 4.692 . 0 0 "[ . 1 . 2]" 2
1042 1 43 GLN HB2 1 44 ALA MB . . 5.500 5.287 5.260 5.319 . 0 0 "[ . 1 . 2]" 2
1043 1 43 GLN HB3 1 43 GLN QG . . 2.800 2.177 2.153 2.216 . 0 0 "[ . 1 . 2]" 2
1044 1 42 CYS HA 1 43 GLN HB2 . . 4.970 4.663 4.600 4.733 . 0 0 "[ . 1 . 2]" 2
1045 1 43 GLN QG 1 44 ALA MB . . 4.120 4.007 3.889 4.127 0.007 12 0 "[ . 1 . 2]" 2
1046 1 42 CYS HB3 1 44 ALA MB . . 4.140 3.368 3.194 3.439 . 0 0 "[ . 1 . 2]" 2
1047 1 41 PHE HB2 1 46 LEU HA . . 5.110 4.445 4.367 4.501 . 0 0 "[ . 1 . 2]" 2
1048 1 16 VAL MG2 1 17 LYS QE . . 5.420 4.426 3.388 5.158 . 0 0 "[ . 1 . 2]" 2
1049 1 50 HIS HE1 1 71 PRO HA . . 5.420 4.387 3.158 5.115 . 0 0 "[ . 1 . 2]" 2
1050 1 70 GLN H 1 70 GLN QG . . 4.340 3.307 2.068 4.097 . 0 0 "[ . 1 . 2]" 2
1051 1 50 HIS HE1 1 71 PRO QB . . 5.080 3.135 2.336 3.768 . 0 0 "[ . 1 . 2]" 2
1052 1 33 LEU MD2 1 76 PRO HD3 . . 4.390 3.593 2.789 4.358 . 0 0 "[ . 1 . 2]" 2
1053 1 78 ARG HA 1 78 ARG QG . . 3.510 2.638 2.158 3.438 . 0 0 "[ . 1 . 2]" 2
1054 1 78 ARG QD 1 80 VAL MG1 . . 5.260 3.788 2.470 5.006 . 0 0 "[ . 1 . 2]" 2
1055 1 57 LYS H 1 57 LYS QG . . 3.750 2.494 1.854 3.341 . 0 0 "[ . 1 . 2]" 2
1056 1 47 THR MG 1 51 LYS QE . . 4.100 3.157 1.839 3.986 . 0 0 "[ . 1 . 2]" 2
1057 1 64 VAL HB 1 66 ARG H . . 5.030 4.178 3.987 4.530 . 0 0 "[ . 1 . 2]" 2
1058 1 66 ARG H 1 66 ARG HD2 . . 5.020 3.862 2.596 4.947 . 0 0 "[ . 1 . 2]" 2
1059 1 66 ARG H 1 66 ARG HD3 . . 5.020 3.524 2.368 4.601 . 0 0 "[ . 1 . 2]" 2
1060 1 46 LEU MD2 1 50 HIS HE1 . . 5.260 2.412 2.036 3.090 . 0 0 "[ . 1 . 2]" 2
1061 1 17 LYS HA 1 17 LYS QG . . 3.600 3.017 2.169 3.425 . 0 0 "[ . 1 . 2]" 2
1062 1 57 LYS HA 1 57 LYS QG . . 3.830 2.810 2.360 3.374 . 0 0 "[ . 1 . 2]" 2
1063 1 78 ARG QD 1 80 VAL MG2 . . 5.260 3.413 1.983 4.997 . 0 0 "[ . 1 . 2]" 2
1064 1 33 LEU HB3 1 74 ILE MG . . 3.970 3.606 2.691 3.904 . 0 0 "[ . 1 . 2]" 2
1065 1 33 LEU HA 1 33 LEU HG . . 3.940 3.314 3.181 3.492 . 0 0 "[ . 1 . 2]" 2
1066 1 33 LEU MD1 1 43 GLN QG . . 3.330 3.212 2.466 3.700 0.370 15 0 "[ . 1 . 2]" 2
1067 1 33 LEU MD1 1 41 PHE QD . . 5.500 5.351 5.132 5.501 0.001 11 0 "[ . 1 . 2]" 2
1068 1 33 LEU MD2 1 43 GLN H . . 4.820 3.738 3.372 3.932 . 0 0 "[ . 1 . 2]" 2
1069 1 34 SER HA 1 35 LEU HB2 . . 4.960 4.627 4.528 4.771 . 0 0 "[ . 1 . 2]" 2
1070 1 34 SER HB2 1 35 LEU HG . . 5.500 5.676 5.477 5.829 0.329 20 0 "[ . 1 . 2]" 2
1071 1 35 LEU HB3 1 62 CYS QB . . 5.170 4.899 4.582 5.183 0.013 17 0 "[ . 1 . 2]" 2
1072 1 39 HIS HB3 1 41 PHE HZ . . 3.780 2.577 2.381 2.748 . 0 0 "[ . 1 . 2]" 2
1073 1 39 HIS HB2 1 41 PHE HZ . . 3.970 2.983 2.803 3.176 . 0 0 "[ . 1 . 2]" 2
1074 1 22 CYS QB 1 42 CYS HB3 . . 5.380 5.196 5.117 5.247 . 0 0 "[ . 1 . 2]" 2
1075 1 46 LEU HG 1 47 THR H . . 4.730 4.811 4.789 4.842 0.112 16 0 "[ . 1 . 2]" 2
1076 1 46 LEU H 1 46 LEU MD2 . . 4.970 4.144 4.088 4.229 . 0 0 "[ . 1 . 2]" 2
1077 1 32 PRO HB2 1 40 SER HA . . 5.050 3.731 3.457 4.004 . 0 0 "[ . 1 . 2]" 2
1078 1 31 GLN QB 1 43 GLN H . . 4.210 5.698 4.710 6.413 2.203 11 19 "[********-*+****** **]" 2
1079 1 31 GLN QB 1 32 PRO HD3 . . 5.030 4.381 4.293 4.480 . 0 0 "[ . 1 . 2]" 2
1080 1 29 LEU HB3 1 32 PRO HA . . 4.820 4.548 4.033 4.887 0.067 7 0 "[ . 1 . 2]" 2
1081 1 29 LEU HG 1 32 PRO HD3 . . 5.320 5.296 5.193 5.529 0.209 20 0 "[ . 1 . 2]" 2
1082 1 21 THR MG 1 27 GLU H . . 3.650 3.041 2.823 3.190 . 0 0 "[ . 1 . 2]" 2
1083 1 37 CYS HB2 1 67 ILE HG13 . . 5.500 4.908 2.167 5.536 0.036 5 0 "[ . 1 . 2]" 2
1084 1 37 CYS HB2 1 67 ILE HG12 . . 5.500 4.575 2.477 5.493 . 0 0 "[ . 1 . 2]" 2
1085 1 33 LEU H 1 40 SER HB3 . . 5.040 3.506 3.299 3.734 . 0 0 "[ . 1 . 2]" 2
1086 1 42 CYS HB3 1 45 CYS H . . 4.440 2.797 2.739 2.856 . 0 0 "[ . 1 . 2]" 2
1087 1 42 CYS HB2 1 45 CYS H . . 4.300 2.155 2.088 2.213 . 0 0 "[ . 1 . 2]" 2
1088 1 28 LEU HA 1 29 LEU HB2 . . 4.300 4.227 4.181 4.311 0.011 13 0 "[ . 1 . 2]" 2
1089 1 8 MET QB 1 10 SER QB . . 3.750 3.343 2.961 3.703 . 0 0 "[ . 1 . 2]" 2
1090 1 10 SER QB 1 12 ILE QG . . 5.340 2.947 1.994 4.739 . 0 0 "[ . 1 . 2]" 2
1091 1 11 GLY QA 1 12 ILE QG . . 4.780 4.113 3.887 4.293 . 0 0 "[ . 1 . 2]" 2
1092 1 12 ILE H 1 12 ILE QG . . 3.300 2.037 1.876 2.213 . 0 0 "[ . 1 . 2]" 2
1093 1 12 ILE HA 1 12 ILE QG . . 3.630 3.189 2.406 3.388 . 0 0 "[ . 1 . 2]" 2
1094 1 12 ILE HA 1 13 LEU QB . . 4.210 4.158 4.023 4.366 0.156 20 0 "[ . 1 . 2]" 2
1095 1 13 LEU H 1 13 LEU QB . . 3.160 2.509 2.263 2.802 . 0 0 "[ . 1 . 2]" 2
1096 1 13 LEU H 1 13 LEU QD . . 4.910 2.857 2.190 3.366 . 0 0 "[ . 1 . 2]" 2
1097 1 13 LEU HA 1 13 LEU QD . . 3.570 2.380 1.912 3.051 . 0 0 "[ . 1 . 2]" 2
1098 1 13 LEU HA 1 14 VAL QG . . 3.810 3.591 3.327 3.803 . 0 0 "[ . 1 . 2]" 2
1099 1 13 LEU QB 1 13 LEU QD . . 2.770 1.931 1.779 2.049 . 0 0 "[ . 1 . 2]" 2
1100 1 13 LEU QB 1 14 VAL H . . 3.870 2.814 2.163 3.318 . 0 0 "[ . 1 . 2]" 2
1101 1 14 VAL H 1 14 VAL QG . . 3.010 2.348 1.849 2.886 . 0 0 "[ . 1 . 2]" 2
1102 1 14 VAL HA 1 15 ASN QB . . 4.740 4.296 4.044 4.541 . 0 0 "[ . 1 . 2]" 2
1103 1 14 VAL QG 1 15 ASN H . . 4.060 2.805 2.120 3.295 . 0 0 "[ . 1 . 2]" 2
1104 1 15 ASN H 1 15 ASN QB . . 3.630 2.759 2.182 3.304 . 0 0 "[ . 1 . 2]" 2
1105 1 15 ASN QB 1 16 VAL H . . 3.690 2.642 2.159 3.512 . 0 0 "[ . 1 . 2]" 2
1106 1 15 ASN QB 1 16 VAL HA . . 4.950 4.502 4.132 4.913 . 0 0 "[ . 1 . 2]" 2
1107 1 15 ASN QB 1 16 VAL MG1 . . 4.460 3.895 2.525 4.626 0.166 18 0 "[ . 1 . 2]" 2
1108 1 15 ASN QB 1 16 VAL MG2 . . 5.110 4.095 3.112 5.110 . 0 0 "[ . 1 . 2]" 2
1109 1 15 ASN QD 1 16 VAL MG1 . . 4.580 4.220 2.273 5.269 0.689 12 3 "[ * . 1 + . -2]" 2
1110 1 16 VAL HA 1 17 LYS QB . . 4.480 4.533 4.160 4.798 0.318 13 0 "[ . 1 . 2]" 2
1111 1 16 VAL MG2 1 17 LYS QB . . 4.510 4.173 3.014 4.626 0.116 6 0 "[ . 1 . 2]" 2
1112 1 17 LYS H 1 17 LYS QB . . 3.080 2.475 2.223 2.728 . 0 0 "[ . 1 . 2]" 2
1113 1 17 LYS QB 1 18 GLU H . . 4.480 3.013 2.090 3.845 . 0 0 "[ . 1 . 2]" 2
1114 1 18 GLU H 1 18 GLU QG . . 3.680 2.204 1.875 3.124 . 0 0 "[ . 1 . 2]" 2
1115 1 18 GLU HA 1 18 GLU QG . . 3.200 2.980 2.355 3.479 0.279 15 0 "[ . 1 . 2]" 2
1116 1 18 GLU QG 1 28 LEU HA . . 4.670 3.420 2.790 4.547 . 0 0 "[ . 1 . 2]" 2
1117 1 18 GLU QG 1 28 LEU QB . . 4.510 2.409 1.952 3.301 . 0 0 "[ . 1 . 2]" 2
1118 1 18 GLU QG 1 28 LEU MD1 . . 3.800 2.152 1.829 3.117 . 0 0 "[ . 1 . 2]" 2
1119 1 18 GLU QG 1 28 LEU MD2 . . 3.950 2.621 2.088 3.423 . 0 0 "[ . 1 . 2]" 2
1120 1 19 GLU H 1 19 GLU QG . . 3.180 2.272 1.887 2.999 . 0 0 "[ . 1 . 2]" 2
1121 1 19 GLU HA 1 19 GLU QG . . 3.560 3.369 3.310 3.482 . 0 0 "[ . 1 . 2]" 2
1122 1 19 GLU QG 1 20 VAL H . . 3.860 1.937 1.772 2.143 . 0 0 "[ . 1 . 2]" 2
1123 1 19 GLU QG 1 20 VAL HA . . 4.290 3.788 3.282 4.120 . 0 0 "[ . 1 . 2]" 2
1124 1 24 ILE MD 1 49 ASN QD . . 4.660 3.824 2.543 4.629 . 0 0 "[ . 1 . 2]" 2
1125 1 24 ILE MD 1 63 PRO QG . . 3.240 2.493 2.312 2.592 . 0 0 "[ . 1 . 2]" 2
1126 1 25 CYS HB3 1 27 GLU QG . . 4.450 3.777 3.531 4.052 . 0 0 "[ . 1 . 2]" 2
1127 1 27 GLU H 1 27 GLU QG . . 3.090 2.860 2.504 3.048 . 0 0 "[ . 1 . 2]" 2
1128 1 27 GLU HA 1 27 GLU QG . . 3.160 2.506 2.316 2.824 . 0 0 "[ . 1 . 2]" 2
1129 1 27 GLU QG 1 28 LEU H . . 4.240 3.992 3.801 4.375 0.135 17 0 "[ . 1 . 2]" 2
1130 1 30 THR HA 1 31 GLN QB . . 5.340 5.074 4.221 5.344 0.004 9 0 "[ . 1 . 2]" 2
1131 1 30 THR MG 1 31 GLN QB . . 3.680 2.982 2.360 3.640 . 0 0 "[ . 1 . 2]" 2
1132 1 35 LEU H 1 38 GLY QA . . 4.620 4.401 3.229 4.789 0.169 17 0 "[ . 1 . 2]" 2
1133 1 37 CYS H 1 38 GLY QA . . 4.330 3.911 3.742 4.138 . 0 0 "[ . 1 . 2]" 2
1134 1 37 CYS HB2 1 67 ILE QG . . 4.740 4.159 2.037 4.730 . 0 0 "[ . 1 . 2]" 2
1135 1 37 CYS HB3 1 67 ILE QG . . 4.560 3.909 1.995 4.505 . 0 0 "[ . 1 . 2]" 2
1136 1 41 PHE QD 1 63 PRO QG . . 3.690 3.306 3.158 3.373 . 0 0 "[ . 1 . 2]" 2
1137 1 41 PHE QE 1 63 PRO QG . . 5.200 1.945 1.917 1.965 . 0 0 "[ . 1 . 2]" 2
1138 1 41 PHE HZ 1 63 PRO QG . . 4.410 3.176 3.000 3.318 . 0 0 "[ . 1 . 2]" 2
1139 1 46 LEU MD2 1 49 ASN QB . . 4.100 3.587 3.098 3.922 . 0 0 "[ . 1 . 2]" 2
1140 1 46 LEU MD2 1 63 PRO QG . . 4.140 3.996 3.556 4.202 0.062 9 0 "[ . 1 . 2]" 2
1141 1 47 THR HA 1 50 HIS QB . . 4.310 3.068 2.830 3.313 . 0 0 "[ . 1 . 2]" 2
1142 1 48 ALA HA 1 51 LYS QG . . 4.770 3.322 1.965 4.543 . 0 0 "[ . 1 . 2]" 2
1143 1 48 ALA MB 1 49 ASN QB . . 3.980 3.850 3.732 3.998 0.018 2 0 "[ . 1 . 2]" 2
1144 1 49 ASN H 1 52 LYS QB . . 5.340 4.725 4.374 5.370 0.030 9 0 "[ . 1 . 2]" 2
1145 1 49 ASN HA 1 52 LYS QB . . 3.830 2.596 2.059 3.756 . 0 0 "[ . 1 . 2]" 2
1146 1 49 ASN HA 1 52 LYS QG . . 4.100 3.701 2.303 4.122 0.022 3 0 "[ . 1 . 2]" 2
1147 1 49 ASN QB 1 63 PRO QG . . 4.630 3.387 3.092 3.690 . 0 0 "[ . 1 . 2]" 2
1148 1 49 ASN QD 1 62 CYS HA . . 5.300 4.759 3.292 7.016 1.716 10 5 "[ * . +- **. 2]" 2
1149 1 50 HIS QB 1 51 LYS H . . 3.540 2.459 2.069 2.922 . 0 0 "[ . 1 . 2]" 2
1150 1 51 LYS H 1 51 LYS QG . . 3.620 2.402 1.900 3.391 . 0 0 "[ . 1 . 2]" 2
1151 1 51 LYS HA 1 51 LYS QG . . 3.510 2.711 2.145 3.329 . 0 0 "[ . 1 . 2]" 2
1152 1 51 LYS HA 1 54 MET QG . . 4.530 3.227 1.839 4.334 . 0 0 "[ . 1 . 2]" 2
1153 1 52 LYS H 1 52 LYS QB . . 3.540 2.181 2.095 2.400 . 0 0 "[ . 1 . 2]" 2
1154 1 52 LYS H 1 52 LYS QG . . 3.940 3.747 2.377 4.074 0.134 7 0 "[ . 1 . 2]" 2
1155 1 52 LYS HA 1 52 LYS QG . . 3.350 2.618 2.119 3.442 0.092 8 0 "[ . 1 . 2]" 2
1156 1 52 LYS HA 1 55 LEU QB . . 4.320 4.796 3.608 5.373 1.053 14 12 "[** ** *1 **+.- ***]" 2
1157 1 52 LYS HA 1 55 LEU QD . . 4.090 2.793 1.958 3.397 . 0 0 "[ . 1 . 2]" 2
1158 1 52 LYS QB 1 53 SER H . . 3.480 2.406 1.910 3.431 . 0 0 "[ . 1 . 2]" 2
1159 1 52 LYS QB 1 53 SER HA . . 5.010 4.129 3.700 4.636 . 0 0 "[ . 1 . 2]" 2
1160 1 52 LYS QB 1 53 SER QB . . 5.340 3.987 3.277 5.214 . 0 0 "[ . 1 . 2]" 2
1161 1 52 LYS QE 1 52 LYS QG . . 3.250 2.249 2.040 2.868 . 0 0 "[ . 1 . 2]" 2
1162 1 52 LYS QG 1 53 SER H . . 4.830 3.513 1.870 4.242 . 0 0 "[ . 1 . 2]" 2
1163 1 52 LYS QD 1 55 LEU QD . . 5.340 3.968 2.816 4.792 . 0 0 "[ . 1 . 2]" 2
1164 1 52 LYS QE 1 55 LEU QD . . 3.940 3.403 2.148 4.082 0.142 9 0 "[ . 1 . 2]" 2
1165 1 53 SER QB 1 55 LEU QD . . 5.440 5.307 4.927 5.476 0.036 11 0 "[ . 1 . 2]" 2
1166 1 54 MET H 1 55 LEU QD . . 4.620 3.321 2.584 4.588 . 0 0 "[ . 1 . 2]" 2
1167 1 54 MET QB 1 55 LEU QD . . 4.140 2.821 2.077 4.156 0.016 2 0 "[ . 1 . 2]" 2
1168 1 54 MET ME 1 54 MET QG . . 3.200 2.283 1.967 2.628 . 0 0 "[ . 1 . 2]" 2
1169 1 54 MET QG 1 55 LEU H . . 4.420 4.148 3.694 4.466 0.046 8 0 "[ . 1 . 2]" 2
1170 1 54 MET ME 1 55 LEU QD . . 5.440 5.159 4.610 5.467 0.027 2 0 "[ . 1 . 2]" 2
1171 1 55 LEU H 1 55 LEU QB . . 3.090 2.528 2.187 2.995 . 0 0 "[ . 1 . 2]" 2
1172 1 55 LEU H 1 55 LEU QD . . 3.660 2.083 1.796 2.893 . 0 0 "[ . 1 . 2]" 2
1173 1 55 LEU HA 1 55 LEU QD . . 3.430 3.106 1.968 3.441 0.011 2 0 "[ . 1 . 2]" 2
1174 1 55 LEU QB 1 55 LEU QD . . 2.770 1.849 1.784 2.039 . 0 0 "[ . 1 . 2]" 2
1175 1 55 LEU QB 1 56 ASP H . . 3.510 3.007 2.120 3.652 0.142 19 0 "[ . 1 . 2]" 2
1176 1 55 LEU QD 1 56 ASP H . . 4.770 3.089 1.871 3.859 . 0 0 "[ . 1 . 2]" 2
1177 1 59 GLU QB 1 60 SER H . . 3.620 3.113 2.493 3.624 0.004 11 0 "[ . 1 . 2]" 2
1178 1 61 SER QB 1 66 ARG HA . . 3.750 2.507 2.025 3.786 0.036 19 0 "[ . 1 . 2]" 2
1179 1 62 CYS HA 1 63 PRO QG . . 4.060 3.779 3.765 3.805 . 0 0 "[ . 1 . 2]" 2
1180 1 66 ARG H 1 66 ARG QD . . 4.400 3.072 2.348 3.673 . 0 0 "[ . 1 . 2]" 2
1181 1 66 ARG HA 1 66 ARG QG . . 3.250 2.503 2.161 2.929 . 0 0 "[ . 1 . 2]" 2
1182 1 67 ILE H 1 67 ILE QG . . 4.190 3.886 2.708 4.085 . 0 0 "[ . 1 . 2]" 2
1183 1 67 ILE HA 1 67 ILE QG . . 3.330 2.307 2.144 2.707 . 0 0 "[ . 1 . 2]" 2
1184 1 67 ILE QG 1 67 ILE MG . . 3.230 2.224 2.075 2.395 . 0 0 "[ . 1 . 2]" 2
1185 1 67 ILE QG 1 68 SER QB . . 5.340 3.575 2.713 5.678 0.338 13 0 "[ . 1 . 2]" 2
1186 1 69 TYR QD 1 74 ILE QG . . 4.420 3.380 2.623 4.273 . 0 0 "[ . 1 . 2]" 2
1187 1 69 TYR QE 1 74 ILE QG . . 4.690 3.477 2.079 4.448 . 0 0 "[ . 1 . 2]" 2
1188 1 70 GLN QB 1 71 PRO QD . . 3.600 3.019 2.256 3.680 0.080 3 0 "[ . 1 . 2]" 2
1189 1 70 GLN QB 1 73 ASN QB . . 4.140 3.617 2.310 4.189 0.049 10 0 "[ . 1 . 2]" 2
1190 1 70 GLN QB 1 73 ASN QD . . 4.000 3.068 1.866 3.871 . 0 0 "[ . 1 . 2]" 2
1191 1 70 GLN QG 1 71 PRO QD . . 4.110 3.080 1.977 3.918 . 0 0 "[ . 1 . 2]" 2
1192 1 71 PRO HA 1 74 ILE QG . . 3.840 2.959 1.909 3.861 0.021 14 0 "[ . 1 . 2]" 2
1193 1 71 PRO QG 1 74 ILE MD . . 5.130 4.557 4.388 4.753 . 0 0 "[ . 1 . 2]" 2
1194 1 71 PRO QD 1 74 ILE MD . . 5.350 4.149 3.389 4.750 . 0 0 "[ . 1 . 2]" 2
1195 1 72 GLU HA 1 72 GLU QB . . 2.640 2.410 2.175 2.479 . 0 0 "[ . 1 . 2]" 2
1196 1 72 GLU QB 1 73 ASN H . . 4.230 2.594 2.026 3.547 . 0 0 "[ . 1 . 2]" 2
1197 1 73 ASN H 1 73 ASN QB . . 3.670 2.546 2.184 3.390 . 0 0 "[ . 1 . 2]" 2
1198 1 74 ILE HA 1 74 ILE QG . . 3.290 2.464 2.292 2.904 . 0 0 "[ . 1 . 2]" 2
1199 1 74 ILE QG 1 74 ILE MG . . 2.910 2.274 1.950 2.429 . 0 0 "[ . 1 . 2]" 2
1200 1 74 ILE QG 1 75 ARG H . . 4.330 4.080 3.849 4.481 0.151 8 0 "[ . 1 . 2]" 2
1201 1 76 PRO QB 1 77 ASN H . . 3.950 2.528 1.958 3.731 . 0 0 "[ . 1 . 2]" 2
1202 1 76 PRO QB 1 77 ASN QD . . 4.690 3.792 2.928 4.546 . 0 0 "[ . 1 . 2]" 2
1203 1 77 ASN H 1 77 ASN QB . . 3.540 2.635 2.177 3.072 . 0 0 "[ . 1 . 2]" 2
1204 1 77 ASN H 1 77 ASN QD . . 4.780 2.451 1.790 3.348 . 0 0 "[ . 1 . 2]" 2
1205 1 78 ARG QB 1 78 ARG QD . . 3.030 2.261 2.036 2.671 . 0 0 "[ . 1 . 2]" 2
1206 1 78 ARG QD 1 80 VAL QG . . 4.570 2.825 1.967 3.882 . 0 0 "[ . 1 . 2]" 2
1207 1 79 HIS QB 1 80 VAL H . . 4.210 3.831 3.208 4.058 . 0 0 "[ . 1 . 2]" 2
1208 1 79 HIS QB 1 80 VAL QG . . 4.990 4.134 3.459 4.645 . 0 0 "[ . 1 . 2]" 2
1209 1 80 VAL H 1 80 VAL QG . . 3.510 2.304 1.850 3.139 . 0 0 "[ . 1 . 2]" 2
1210 1 80 VAL HA 1 80 VAL QG . . 2.750 2.218 2.041 2.358 . 0 0 "[ . 1 . 2]" 2
1211 1 80 VAL HB 1 82 ASN QB . . 4.730 3.946 2.953 4.641 . 0 0 "[ . 1 . 2]" 2
1212 1 80 VAL QG 1 81 ALA H . . 4.150 2.975 1.956 3.697 . 0 0 "[ . 1 . 2]" 2
1213 1 80 VAL QG 1 81 ALA HA . . 4.800 3.961 3.388 4.849 0.049 18 0 "[ . 1 . 2]" 2
1214 1 80 VAL QG 1 82 ASN QB . . 3.980 2.786 1.860 3.801 . 0 0 "[ . 1 . 2]" 2
1215 1 80 VAL QG 1 82 ASN QD . . 4.050 3.397 2.042 4.097 0.047 6 0 "[ . 1 . 2]" 2
1216 1 82 ASN QB 1 82 ASN QD . . 3.030 2.180 2.063 2.419 . 0 0 "[ . 1 . 2]" 2
1217 1 82 ASN QB 1 83 ILE H . . 4.320 3.426 2.257 4.038 . 0 0 "[ . 1 . 2]" 2
1218 1 84 VAL H 1 84 VAL QG . . 3.740 2.106 1.852 2.537 . 0 0 "[ . 1 . 2]" 2
1219 1 84 VAL QG 1 85 GLU H . . 4.440 2.953 1.890 3.631 . 0 0 "[ . 1 . 2]" 2
1220 1 85 GLU QB 1 85 GLU QG . . 2.430 2.041 1.966 2.087 . 0 0 "[ . 1 . 2]" 2
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