Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
436050 | 2k03 RC | 15635 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k03
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 1922
_Distance_constraint_stats_list.Viol_count 4743
_Distance_constraint_stats_list.Viol_total 7111.565
_Distance_constraint_stats_list.Viol_max 0.723
_Distance_constraint_stats_list.Viol_rms 0.0329
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0093
_Distance_constraint_stats_list.Viol_average_violations_only 0.0750
_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 8 SER 0.281 0.119 7 0 "[ . 1 . 2]"
1 9 TYR 0.281 0.119 7 0 "[ . 1 . 2]"
1 11 CYS 0.369 0.115 1 0 "[ . 1 . 2]"
1 12 PRO 3.458 0.195 6 0 "[ . 1 . 2]"
1 13 CYS 1.471 0.234 19 0 "[ . 1 . 2]"
1 14 ARG 0.421 0.053 2 0 "[ . 1 . 2]"
1 15 PHE 0.836 0.053 2 0 "[ . 1 . 2]"
1 16 PHE 1.053 0.141 7 0 "[ . 1 . 2]"
1 17 GLU 3.798 0.266 17 0 "[ . 1 . 2]"
1 18 SER 0.863 0.120 17 0 "[ . 1 . 2]"
1 19 HIS 0.290 0.084 14 0 "[ . 1 . 2]"
1 20 VAL 5.841 0.629 20 2 "[ . - . +]"
1 21 ALA 0.435 0.136 20 0 "[ . 1 . 2]"
1 22 ARG 5.115 0.367 11 0 "[ . 1 . 2]"
1 23 ALA 0.159 0.053 8 0 "[ . 1 . 2]"
1 24 ASN 0.876 0.200 20 0 "[ . 1 . 2]"
1 25 VAL 5.589 0.367 11 0 "[ . 1 . 2]"
1 26 LYS 5.931 0.230 6 0 "[ . 1 . 2]"
1 27 HIS 9.646 0.230 6 0 "[ . 1 . 2]"
1 28 LEU 7.241 0.285 18 0 "[ . 1 . 2]"
1 29 LYS 11.724 0.285 18 0 "[ . 1 . 2]"
1 30 ILE 4.545 0.146 12 0 "[ . 1 . 2]"
1 31 LEU 7.550 0.250 6 0 "[ . 1 . 2]"
1 32 ASN 0.107 0.070 7 0 "[ . 1 . 2]"
1 33 THR 6.089 0.267 8 0 "[ . 1 . 2]"
1 34 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 CYS 1.529 0.115 1 0 "[ . 1 . 2]"
1 37 ALA 1.007 0.140 16 0 "[ . 1 . 2]"
1 38 CYS 0.032 0.020 7 0 "[ . 1 . 2]"
1 39 GLN 4.647 0.210 14 0 "[ . 1 . 2]"
1 40 ILE 1.998 0.118 13 0 "[ . 1 . 2]"
1 41 VAL 2.124 0.118 13 0 "[ . 1 . 2]"
1 42 ALA 1.380 0.107 7 0 "[ . 1 . 2]"
1 43 ARG 4.968 0.211 16 0 "[ . 1 . 2]"
1 44 LEU 8.797 0.237 18 0 "[ . 1 . 2]"
1 45 LYS 5.834 0.237 18 0 "[ . 1 . 2]"
1 48 ASN 0.385 0.064 15 0 "[ . 1 . 2]"
1 49 ARG 6.580 0.257 9 0 "[ . 1 . 2]"
1 50 GLN 3.433 0.257 9 0 "[ . 1 . 2]"
1 51 VAL 2.288 0.172 19 0 "[ . 1 . 2]"
1 52 CYS 0.593 0.234 19 0 "[ . 1 . 2]"
1 53 ILE 3.283 0.234 2 0 "[ . 1 . 2]"
1 54 ASP 3.399 0.133 20 0 "[ . 1 . 2]"
1 55 PRO 3.834 0.210 14 0 "[ . 1 . 2]"
1 56 LYS 3.654 0.189 11 0 "[ . 1 . 2]"
1 57 LEU 7.445 0.249 9 0 "[ . 1 . 2]"
1 58 LYS 1.970 0.127 10 0 "[ . 1 . 2]"
1 59 TRP 4.375 0.208 10 0 "[ . 1 . 2]"
1 60 ILE 0.119 0.030 12 0 "[ . 1 . 2]"
1 61 GLN 3.677 0.141 16 0 "[ . 1 . 2]"
1 62 GLU 5.475 0.249 11 0 "[ . 1 . 2]"
1 63 TYR 2.999 0.210 7 0 "[ . 1 . 2]"
1 64 LEU 7.593 0.228 8 0 "[ . 1 . 2]"
1 65 GLU 5.984 0.165 11 0 "[ . 1 . 2]"
1 66 LYS 8.854 0.240 7 0 "[ . 1 . 2]"
1 67 CYS 7.130 0.214 13 0 "[ . 1 . 2]"
1 68 LEU 7.643 0.234 4 0 "[ . 1 . 2]"
1 69 ASN 4.577 0.212 19 0 "[ . 1 . 2]"
1 70 LYS 4.787 0.212 19 0 "[ . 1 . 2]"
2 4 GLU 0.020 0.020 9 0 "[ . 1 . 2]"
2 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 ILE 0.336 0.153 13 0 "[ . 1 . 2]"
2 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 ILE 5.106 0.227 15 0 "[ . 1 . 2]"
2 9 TYR 9.734 0.443 6 0 "[ . 1 . 2]"
2 10 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 TYR 9.982 0.250 6 0 "[ . 1 . 2]"
2 15 THR 2.097 0.123 9 0 "[ . 1 . 2]"
2 16 GLU 1.967 0.267 8 0 "[ . 1 . 2]"
2 17 GLU 4.581 0.266 1 0 "[ . 1 . 2]"
2 18 MET 0.444 0.100 7 0 "[ . 1 . 2]"
2 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 ASP 4.902 0.237 12 0 "[ . 1 . 2]"
2 23 TYS 3.270 0.629 20 2 "[ . - . +]"
2 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 SER 5.783 0.266 17 0 "[ . 1 . 2]"
2 26 MET 0.624 0.029 12 0 "[ . 1 . 2]"
2 27 LYS 2.892 0.236 9 0 "[ . 1 . 2]"
2 28 GLU 1.439 0.200 12 0 "[ . 1 . 2]"
2 29 PRO 5.064 0.219 19 0 "[ . 1 . 2]"
2 30 ALA 1.951 0.163 4 0 "[ . 1 . 2]"
2 31 PHE 4.551 0.199 20 0 "[ . 1 . 2]"
2 32 ARG 0.361 0.108 11 0 "[ . 1 . 2]"
2 33 GLU 1.422 0.155 15 0 "[ . 1 . 2]"
2 34 GLU 1.781 0.192 3 0 "[ . 1 . 2]"
2 38 PHE 1.791 0.135 15 0 "[ . 1 . 2]"
2 40 LYS 3.222 0.198 17 0 "[ . 1 . 2]"
3 8 SER 0.480 0.098 1 0 "[ . 1 . 2]"
3 9 TYR 0.480 0.098 1 0 "[ . 1 . 2]"
3 11 CYS 0.188 0.104 11 0 "[ . 1 . 2]"
3 12 PRO 3.306 0.198 20 0 "[ . 1 . 2]"
3 13 CYS 1.129 0.114 7 0 "[ . 1 . 2]"
3 14 ARG 0.430 0.073 1 0 "[ . 1 . 2]"
3 15 PHE 0.780 0.073 1 0 "[ . 1 . 2]"
3 16 PHE 0.872 0.138 20 0 "[ . 1 . 2]"
3 17 GLU 3.699 0.252 8 0 "[ . 1 . 2]"
3 18 SER 0.691 0.125 17 0 "[ . 1 . 2]"
3 19 HIS 0.282 0.071 20 0 "[ . 1 . 2]"
3 20 VAL 4.966 0.723 5 1 "[ + 1 . 2]"
3 21 ALA 0.540 0.176 8 0 "[ . 1 . 2]"
3 22 ARG 5.593 0.432 8 0 "[ . 1 . 2]"
3 23 ALA 0.165 0.051 12 0 "[ . 1 . 2]"
3 24 ASN 1.447 0.176 8 0 "[ . 1 . 2]"
3 25 VAL 7.983 0.432 8 0 "[ . 1 . 2]"
3 26 LYS 6.703 0.258 17 0 "[ . 1 . 2]"
3 27 HIS 9.381 0.233 9 0 "[ . 1 . 2]"
3 28 LEU 6.609 0.300 18 0 "[ . 1 . 2]"
3 29 LYS 12.125 0.300 18 0 "[ . 1 . 2]"
3 30 ILE 4.888 0.133 14 0 "[ . 1 . 2]"
3 31 LEU 8.200 0.229 3 0 "[ . 1 . 2]"
3 32 ASN 0.046 0.027 9 0 "[ . 1 . 2]"
3 33 THR 7.047 0.324 12 0 "[ . 1 . 2]"
3 34 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
3 36 CYS 1.997 0.196 9 0 "[ . 1 . 2]"
3 37 ALA 1.147 0.179 11 0 "[ . 1 . 2]"
3 38 CYS 0.102 0.035 19 0 "[ . 1 . 2]"
3 39 GLN 5.722 0.196 9 0 "[ . 1 . 2]"
3 40 ILE 2.279 0.143 19 0 "[ . 1 . 2]"
3 41 VAL 2.462 0.143 19 0 "[ . 1 . 2]"
3 42 ALA 1.485 0.098 10 0 "[ . 1 . 2]"
3 43 ARG 4.477 0.258 17 0 "[ . 1 . 2]"
3 44 LEU 8.326 0.268 18 0 "[ . 1 . 2]"
3 45 LYS 5.896 0.268 18 0 "[ . 1 . 2]"
3 48 ASN 0.517 0.076 5 0 "[ . 1 . 2]"
3 49 ARG 5.565 0.184 6 0 "[ . 1 . 2]"
3 50 GLN 2.974 0.184 6 0 "[ . 1 . 2]"
3 51 VAL 2.856 0.188 17 0 "[ . 1 . 2]"
3 52 CYS 0.248 0.079 19 0 "[ . 1 . 2]"
3 53 ILE 3.276 0.252 8 0 "[ . 1 . 2]"
3 54 ASP 3.682 0.172 20 0 "[ . 1 . 2]"
3 55 PRO 4.312 0.181 9 0 "[ . 1 . 2]"
3 56 LYS 3.980 0.194 11 0 "[ . 1 . 2]"
3 57 LEU 7.944 0.373 10 0 "[ . 1 . 2]"
3 58 LYS 2.106 0.170 2 0 "[ . 1 . 2]"
3 59 TRP 4.526 0.170 2 0 "[ . 1 . 2]"
3 60 ILE 0.111 0.024 5 0 "[ . 1 . 2]"
3 61 GLN 3.710 0.149 7 0 "[ . 1 . 2]"
3 62 GLU 5.259 0.275 11 0 "[ . 1 . 2]"
3 63 TYR 2.396 0.117 13 0 "[ . 1 . 2]"
3 64 LEU 6.966 0.186 1 0 "[ . 1 . 2]"
3 65 GLU 6.268 0.189 7 0 "[ . 1 . 2]"
3 66 LYS 8.386 0.232 2 0 "[ . 1 . 2]"
3 67 CYS 6.934 0.319 16 0 "[ . 1 . 2]"
3 68 LEU 7.363 0.219 19 0 "[ . 1 . 2]"
3 69 ASN 4.527 0.167 11 0 "[ . 1 . 2]"
3 70 LYS 4.647 0.319 16 0 "[ . 1 . 2]"
4 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
4 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
4 6 ILE 0.111 0.071 5 0 "[ . 1 . 2]"
4 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
4 8 ILE 4.452 0.206 10 0 "[ . 1 . 2]"
4 9 TYR 7.668 0.444 6 0 "[ . 1 . 2]"
4 10 THR 0.000 0.000 . 0 "[ . 1 . 2]"
4 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
4 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
4 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
4 14 TYR 10.542 0.229 3 0 "[ . 1 . 2]"
4 15 THR 2.080 0.121 19 0 "[ . 1 . 2]"
4 16 GLU 2.108 0.301 19 0 "[ . 1 . 2]"
4 17 GLU 4.857 0.324 12 0 "[ . 1 . 2]"
4 18 MET 0.398 0.077 17 0 "[ . 1 . 2]"
4 21 GLY 0.011 0.011 19 0 "[ . 1 . 2]"
4 22 ASP 4.616 0.246 12 0 "[ . 1 . 2]"
4 23 TYS 2.659 0.723 5 1 "[ + 1 . 2]"
4 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
4 25 SER 5.363 0.246 12 0 "[ . 1 . 2]"
4 26 MET 0.594 0.024 10 0 "[ . 1 . 2]"
4 27 LYS 3.035 0.234 15 0 "[ . 1 . 2]"
4 28 GLU 1.464 0.203 12 0 "[ . 1 . 2]"
4 29 PRO 5.336 0.234 4 0 "[ . 1 . 2]"
4 30 ALA 2.026 0.202 4 0 "[ . 1 . 2]"
4 31 PHE 4.540 0.231 20 0 "[ . 1 . 2]"
4 32 ARG 0.338 0.107 17 0 "[ . 1 . 2]"
4 33 GLU 1.760 0.233 8 0 "[ . 1 . 2]"
4 34 GLU 2.084 0.233 8 0 "[ . 1 . 2]"
4 38 PHE 2.001 0.141 10 0 "[ . 1 . 2]"
4 40 LYS 3.334 0.208 12 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 8 SER HA 1 9 TYR QD . . 4.390 3.692 3.003 4.391 0.001 1 0 "[ . 1 . 2]" 1
2 1 8 SER QB 1 9 TYR QD . . 4.450 3.876 2.081 4.569 0.119 7 0 "[ . 1 . 2]" 1
3 1 9 TYR HA 1 9 TYR QD . . 3.900 3.028 2.761 3.759 . 0 0 "[ . 1 . 2]" 1
4 1 11 CYS CB 1 36 CYS CB . . 3.990 3.858 3.565 4.105 0.115 1 0 "[ . 1 . 2]" 1
5 1 11 CYS CB 1 36 CYS SG . . 3.100 3.048 3.008 3.109 0.009 11 0 "[ . 1 . 2]" 1
6 1 11 CYS HB2 1 12 PRO QD . . 5.500 3.575 3.344 3.834 . 0 0 "[ . 1 . 2]" 1
7 1 11 CYS HB3 1 12 PRO QD . . 5.500 2.327 1.871 3.875 . 0 0 "[ . 1 . 2]" 1
8 1 11 CYS SG 1 36 CYS CB . . 3.100 3.061 3.016 3.151 0.051 7 0 "[ . 1 . 2]" 1
9 1 11 CYS SG 1 36 CYS SG . . 2.100 2.026 2.007 2.042 . 0 0 "[ . 1 . 2]" 1
10 1 12 PRO HA 2 14 TYR QE . . 3.400 3.336 2.300 3.595 0.195 6 0 "[ . 1 . 2]" 1
11 1 12 PRO HB2 1 13 CYS H . . 4.180 3.395 2.668 3.883 . 0 0 "[ . 1 . 2]" 1
12 1 12 PRO HB2 1 31 LEU MD1 . . 5.500 4.312 2.963 5.544 0.044 6 0 "[ . 1 . 2]" 1
13 1 12 PRO HB2 1 31 LEU MD2 . . 5.500 4.644 4.082 5.502 0.002 20 0 "[ . 1 . 2]" 1
14 1 12 PRO HB2 1 33 THR MG . . 5.500 4.417 3.342 5.126 . 0 0 "[ . 1 . 2]" 1
15 1 12 PRO HB2 2 14 TYR QD . . 4.120 4.156 3.975 4.261 0.141 8 0 "[ . 1 . 2]" 1
16 1 12 PRO HB2 2 14 TYR QE . . 3.940 2.296 2.011 3.084 . 0 0 "[ . 1 . 2]" 1
17 1 12 PRO HB3 1 13 CYS H . . 3.980 4.027 3.853 4.132 0.152 1 0 "[ . 1 . 2]" 1
18 1 12 PRO HB3 1 31 LEU QD . . 5.380 3.471 2.365 4.103 . 0 0 "[ . 1 . 2]" 1
19 1 12 PRO HB3 2 14 TYR QD . . 4.070 3.000 2.606 3.663 . 0 0 "[ . 1 . 2]" 1
20 1 12 PRO HB3 2 14 TYR QE . . 3.450 2.088 1.754 2.488 . 0 0 "[ . 1 . 2]" 1
21 1 12 PRO QD 1 13 CYS H . . 4.030 2.543 2.007 3.041 . 0 0 "[ . 1 . 2]" 1
22 1 12 PRO QD 1 31 LEU QD . . 5.430 4.540 2.759 5.369 . 0 0 "[ . 1 . 2]" 1
23 1 12 PRO QD 1 33 THR MG . . 5.210 2.096 1.777 3.032 . 0 0 "[ . 1 . 2]" 1
24 1 12 PRO QG 1 31 LEU QD . . 4.960 3.655 1.851 4.240 . 0 0 "[ . 1 . 2]" 1
25 1 12 PRO QG 1 33 THR MG . . 5.480 3.141 1.982 4.100 . 0 0 "[ . 1 . 2]" 1
26 1 12 PRO QG 2 14 TYR QD . . 5.270 4.583 3.995 5.278 0.008 7 0 "[ . 1 . 2]" 1
27 1 12 PRO QG 2 14 TYR QE . . 4.070 3.576 2.988 4.137 0.067 3 0 "[ . 1 . 2]" 1
28 1 13 CYS CB 1 52 CYS CB . . 3.990 3.703 3.494 4.224 0.234 19 0 "[ . 1 . 2]" 1
29 1 13 CYS CB 1 52 CYS SG . . 3.100 3.047 2.952 3.131 0.031 4 0 "[ . 1 . 2]" 1
30 1 13 CYS SG 1 52 CYS CB . . 3.100 3.055 2.940 3.123 0.023 17 0 "[ . 1 . 2]" 1
31 1 13 CYS SG 1 52 CYS SG . . 2.100 2.030 2.004 2.046 . 0 0 "[ . 1 . 2]" 1
32 1 14 ARG QB 1 15 PHE QD . . 4.230 2.817 2.282 4.265 0.035 15 0 "[ . 1 . 2]" 1
33 1 14 ARG QB 1 15 PHE QE . . 4.860 3.470 2.788 4.316 . 0 0 "[ . 1 . 2]" 1
34 1 14 ARG QD 1 15 PHE QE . . 4.290 3.594 2.557 4.343 0.053 2 0 "[ . 1 . 2]" 1
35 1 14 ARG QG 1 15 PHE QD . . 4.460 3.798 2.370 4.508 0.048 5 0 "[ . 1 . 2]" 1
36 1 14 ARG QG 1 15 PHE QE . . 4.950 3.949 2.458 4.976 0.026 5 0 "[ . 1 . 2]" 1
37 1 15 PHE H 1 15 PHE HB2 . . 3.990 2.651 2.400 2.804 . 0 0 "[ . 1 . 2]" 1
38 1 15 PHE H 1 15 PHE QB . . 3.490 2.600 2.367 2.734 . 0 0 "[ . 1 . 2]" 1
39 1 15 PHE H 1 15 PHE HB3 . . 3.990 3.754 3.611 3.794 . 0 0 "[ . 1 . 2]" 1
40 1 15 PHE H 1 15 PHE QD . . 4.500 3.056 2.537 3.397 . 0 0 "[ . 1 . 2]" 1
41 1 15 PHE H 1 15 PHE QE . . 5.190 4.987 4.687 5.212 0.022 20 0 "[ . 1 . 2]" 1
42 1 15 PHE H 1 16 PHE H . . 4.280 4.284 4.161 4.317 0.037 19 0 "[ . 1 . 2]" 1
43 1 15 PHE HA 1 15 PHE QD . . 3.870 2.855 2.628 3.052 . 0 0 "[ . 1 . 2]" 1
44 1 15 PHE HA 1 15 PHE QE . . 4.720 4.652 4.569 4.753 0.033 16 0 "[ . 1 . 2]" 1
45 1 15 PHE HA 1 16 PHE H . . 3.100 2.238 2.075 2.436 . 0 0 "[ . 1 . 2]" 1
46 1 15 PHE HA 1 16 PHE QD . . 4.660 3.859 2.740 4.284 . 0 0 "[ . 1 . 2]" 1
47 1 15 PHE QB 1 16 PHE H . . 3.520 2.811 2.401 3.144 . 0 0 "[ . 1 . 2]" 1
48 1 15 PHE QD 1 16 PHE H . . 4.210 3.958 3.716 4.249 0.039 9 0 "[ . 1 . 2]" 1
49 1 16 PHE H 1 16 PHE HB2 . . 3.780 3.593 2.551 3.795 0.015 20 0 "[ . 1 . 2]" 1
50 1 16 PHE H 1 16 PHE HB3 . . 3.450 3.425 3.205 3.591 0.141 7 0 "[ . 1 . 2]" 1
51 1 16 PHE H 1 16 PHE QD . . 3.980 2.937 2.134 3.207 . 0 0 "[ . 1 . 2]" 1
52 1 16 PHE H 2 21 GLY QA . . 5.070 4.285 3.696 4.594 . 0 0 "[ . 1 . 2]" 1
53 1 16 PHE HB2 1 17 GLU H . . 3.990 3.053 2.439 4.001 0.011 7 0 "[ . 1 . 2]" 1
54 1 16 PHE HB2 1 52 CYS HB2 . . 5.500 4.179 3.204 5.591 0.091 7 0 "[ . 1 . 2]" 1
55 1 16 PHE HB2 1 54 ASP H . . 4.260 3.325 2.851 4.325 0.065 7 0 "[ . 1 . 2]" 1
56 1 16 PHE HB2 1 54 ASP HA . . 5.500 2.554 1.898 3.514 . 0 0 "[ . 1 . 2]" 1
57 1 16 PHE HB3 1 17 GLU H . . 4.000 3.668 3.243 4.039 0.039 19 0 "[ . 1 . 2]" 1
58 1 16 PHE HB3 1 54 ASP HA . . 5.500 3.646 2.165 4.781 . 0 0 "[ . 1 . 2]" 1
59 1 16 PHE QD 1 17 GLU H . . 4.740 4.434 4.011 4.679 . 0 0 "[ . 1 . 2]" 1
60 1 16 PHE QD 1 54 ASP H . . 4.760 4.035 3.182 4.745 . 0 0 "[ . 1 . 2]" 1
61 1 16 PHE QD 1 54 ASP QB . . 4.560 2.484 2.018 3.689 . 0 0 "[ . 1 . 2]" 1
62 1 16 PHE QD 1 55 PRO QD . . 5.070 3.235 2.144 4.324 . 0 0 "[ . 1 . 2]" 1
63 1 17 GLU H 1 17 GLU HB2 . . 3.720 2.597 2.260 3.615 . 0 0 "[ . 1 . 2]" 1
64 1 17 GLU H 1 17 GLU HB3 . . 3.730 3.366 2.062 3.577 . 0 0 "[ . 1 . 2]" 1
65 1 17 GLU H 1 17 GLU HG2 . . 4.060 3.028 1.683 4.079 0.019 8 0 "[ . 1 . 2]" 1
66 1 17 GLU H 1 17 GLU HG3 . . 4.060 3.004 1.980 4.191 0.131 8 0 "[ . 1 . 2]" 1
67 1 17 GLU H 1 20 VAL QG . . 4.230 4.284 4.175 4.410 0.180 8 0 "[ . 1 . 2]" 1
68 1 17 GLU H 1 53 ILE HA . . 4.050 3.100 2.632 3.716 . 0 0 "[ . 1 . 2]" 1
69 1 17 GLU H 1 53 ILE MD . . 4.440 4.046 3.610 4.433 . 0 0 "[ . 1 . 2]" 1
70 1 17 GLU H 1 54 ASP H . . 4.400 3.870 3.178 4.447 0.047 6 0 "[ . 1 . 2]" 1
71 1 17 GLU HB2 1 20 VAL QG . . 5.010 2.735 2.164 5.044 0.034 8 0 "[ . 1 . 2]" 1
72 1 17 GLU HB3 1 20 VAL QG . . 4.290 3.014 1.885 4.282 . 0 0 "[ . 1 . 2]" 1
73 1 17 GLU HB3 1 53 ILE MG . . 5.500 5.343 4.683 5.734 0.234 2 0 "[ . 1 . 2]" 1
74 1 17 GLU QG 2 25 SER HA . . 4.560 4.263 2.997 4.826 0.266 17 0 "[ . 1 . 2]" 1
75 1 17 GLU HG2 1 20 VAL QG . . 4.650 3.949 2.413 4.792 0.142 4 0 "[ . 1 . 2]" 1
76 1 17 GLU HG3 1 20 VAL QG . . 4.650 3.908 2.070 4.756 0.106 4 0 "[ . 1 . 2]" 1
77 1 18 SER HA 1 54 ASP H . . 4.680 3.225 2.846 3.673 . 0 0 "[ . 1 . 2]" 1
78 1 18 SER HA 1 54 ASP HB2 . . 5.500 3.324 2.027 4.197 . 0 0 "[ . 1 . 2]" 1
79 1 18 SER HA 1 54 ASP HB3 . . 5.500 3.261 2.224 3.715 . 0 0 "[ . 1 . 2]" 1
80 1 18 SER HA 1 57 LEU MD1 . . 5.500 2.014 1.825 2.712 . 0 0 "[ . 1 . 2]" 1
81 1 18 SER HA 1 57 LEU MD2 . . 5.500 3.007 2.367 3.732 . 0 0 "[ . 1 . 2]" 1
82 1 18 SER QB 1 54 ASP H . . 4.540 4.331 3.544 4.660 0.120 17 0 "[ . 1 . 2]" 1
83 1 18 SER QB 1 54 ASP QB . . 4.760 2.879 2.250 3.489 . 0 0 "[ . 1 . 2]" 1
84 1 18 SER HB2 1 19 HIS HD2 . . 4.640 3.336 2.302 4.398 . 0 0 "[ . 1 . 2]" 1
85 1 18 SER HB2 1 57 LEU MD2 . . 5.500 3.268 2.248 4.926 . 0 0 "[ . 1 . 2]" 1
86 1 18 SER HB3 1 19 HIS HD2 . . 4.640 3.899 2.294 4.695 0.055 7 0 "[ . 1 . 2]" 1
87 1 18 SER HB3 1 57 LEU MD2 . . 5.500 3.588 2.558 4.110 . 0 0 "[ . 1 . 2]" 1
88 1 19 HIS HA 1 19 HIS HD2 . . 4.720 3.322 2.280 4.194 . 0 0 "[ . 1 . 2]" 1
89 1 19 HIS HA 1 20 VAL H . . 3.410 2.314 1.928 2.872 . 0 0 "[ . 1 . 2]" 1
90 1 19 HIS QB 1 19 HIS HE1 . . 4.880 4.370 4.348 4.442 . 0 0 "[ . 1 . 2]" 1
91 1 19 HIS QB 1 20 VAL H . . 3.970 3.765 3.588 3.850 . 0 0 "[ . 1 . 2]" 1
92 1 19 HIS HD2 1 57 LEU MD2 . . 4.740 4.310 2.898 4.824 0.084 14 0 "[ . 1 . 2]" 1
93 1 20 VAL H 1 20 VAL QG . . 3.120 2.291 1.785 2.749 . 0 0 "[ . 1 . 2]" 1
94 1 20 VAL HA 1 21 ALA H . . 3.450 2.263 2.111 2.357 . 0 0 "[ . 1 . 2]" 1
95 1 20 VAL HA 1 21 ALA MB . . 5.500 3.966 3.864 4.053 . 0 0 "[ . 1 . 2]" 1
96 1 20 VAL HB 1 53 ILE MG . . 4.600 4.241 3.049 4.750 0.150 7 0 "[ . 1 . 2]" 1
97 1 20 VAL HB 1 57 LEU MD1 . . 5.500 4.066 2.644 5.026 . 0 0 "[ . 1 . 2]" 1
98 1 20 VAL HB 1 59 TRP HZ2 . . 5.500 3.855 1.981 4.948 . 0 0 "[ . 1 . 2]" 1
99 1 20 VAL HB 2 23 TYS HB2 . . 5.500 4.293 2.758 6.129 0.629 20 2 "[ . - . +]" 1
100 1 20 VAL QG 1 21 ALA H . . 3.510 2.453 2.282 3.309 . 0 0 "[ . 1 . 2]" 1
101 1 20 VAL QG 1 24 ASN H . . 5.140 4.561 4.297 5.067 . 0 0 "[ . 1 . 2]" 1
102 1 20 VAL QG 1 24 ASN HB2 . . 5.500 4.741 4.034 5.401 . 0 0 "[ . 1 . 2]" 1
103 1 20 VAL QG 1 24 ASN HB3 . . 5.340 3.570 3.077 4.351 . 0 0 "[ . 1 . 2]" 1
104 1 20 VAL QG 1 24 ASN QD . . 4.000 3.291 2.602 4.008 0.008 15 0 "[ . 1 . 2]" 1
105 1 20 VAL QG 1 25 VAL H . . 4.990 4.937 4.645 5.128 0.138 15 0 "[ . 1 . 2]" 1
106 1 20 VAL QG 1 54 ASP H . . 4.500 4.113 3.499 4.633 0.133 20 0 "[ . 1 . 2]" 1
107 1 20 VAL QG 1 59 TRP HE1 . . 4.380 3.342 1.840 4.507 0.127 10 0 "[ . 1 . 2]" 1
108 1 20 VAL QG 1 59 TRP HH2 . . 3.610 3.519 3.260 3.668 0.058 20 0 "[ . 1 . 2]" 1
109 1 20 VAL QG 1 59 TRP HZ2 . . 3.580 2.247 1.868 2.975 . 0 0 "[ . 1 . 2]" 1
110 1 20 VAL QG 2 23 TYS HB2 . . 4.740 3.478 2.742 4.694 . 0 0 "[ . 1 . 2]" 1
111 1 20 VAL QG 2 23 TYS HB3 . . 5.500 3.402 2.501 4.744 . 0 0 "[ . 1 . 2]" 1
112 1 21 ALA H 1 21 ALA MB . . 3.310 2.287 2.231 2.338 . 0 0 "[ . 1 . 2]" 1
113 1 21 ALA H 1 24 ASN HB2 . . 5.010 4.394 3.790 5.146 0.136 20 0 "[ . 1 . 2]" 1
114 1 21 ALA H 1 24 ASN HB3 . . 4.820 3.594 2.929 4.190 . 0 0 "[ . 1 . 2]" 1
115 1 21 ALA H 1 24 ASN QD . . 4.870 3.997 2.957 4.671 . 0 0 "[ . 1 . 2]" 1
116 1 21 ALA H 1 25 VAL QG . . 5.440 4.535 4.166 5.171 . 0 0 "[ . 1 . 2]" 1
117 1 21 ALA HA 1 22 ARG H . . 3.530 2.140 1.994 2.228 . 0 0 "[ . 1 . 2]" 1
118 1 21 ALA HA 1 59 TRP HE1 . . 4.430 4.170 3.559 4.537 0.107 6 0 "[ . 1 . 2]" 1
119 1 21 ALA MB 1 22 ARG H . . 3.870 2.956 2.795 3.180 . 0 0 "[ . 1 . 2]" 1
120 1 21 ALA MB 1 23 ALA H . . 5.500 2.717 2.302 3.084 . 0 0 "[ . 1 . 2]" 1
121 1 21 ALA MB 1 24 ASN HB2 . . 5.500 2.712 2.050 4.688 . 0 0 "[ . 1 . 2]" 1
122 1 21 ALA MB 1 24 ASN HB3 . . 5.500 2.798 2.019 3.503 . 0 0 "[ . 1 . 2]" 1
123 1 21 ALA MB 1 25 VAL QG . . 5.440 4.315 4.022 4.735 . 0 0 "[ . 1 . 2]" 1
124 1 22 ARG H 1 22 ARG HB2 . . 4.050 2.915 2.077 3.687 . 0 0 "[ . 1 . 2]" 1
125 1 22 ARG H 1 22 ARG HB3 . . 4.050 2.521 2.042 2.894 . 0 0 "[ . 1 . 2]" 1
126 1 22 ARG H 1 22 ARG HG2 . . 4.380 3.991 2.387 4.444 0.064 14 0 "[ . 1 . 2]" 1
127 1 22 ARG H 1 22 ARG HG3 . . 4.380 3.562 2.064 4.443 0.063 16 0 "[ . 1 . 2]" 1
128 1 22 ARG HA 1 25 VAL H . . 4.620 3.638 2.921 4.326 . 0 0 "[ . 1 . 2]" 1
129 1 22 ARG HA 1 25 VAL MG1 . . 5.500 2.898 2.134 3.751 . 0 0 "[ . 1 . 2]" 1
130 1 22 ARG HA 1 25 VAL MG2 . . 5.500 2.702 1.971 3.378 . 0 0 "[ . 1 . 2]" 1
131 1 22 ARG HA 1 59 TRP HH2 . . 5.410 3.600 3.354 4.007 . 0 0 "[ . 1 . 2]" 1
132 1 22 ARG HA 1 59 TRP HZ2 . . 5.220 3.970 3.588 4.454 . 0 0 "[ . 1 . 2]" 1
133 1 22 ARG QB 1 23 ALA H . . 3.670 3.056 2.390 3.723 0.053 8 0 "[ . 1 . 2]" 1
134 1 22 ARG QB 1 59 TRP HH2 . . 4.910 4.381 3.205 5.108 0.198 6 0 "[ . 1 . 2]" 1
135 1 22 ARG HB2 1 23 ALA H . . 4.360 3.948 3.575 4.183 . 0 0 "[ . 1 . 2]" 1
136 1 22 ARG HB3 1 23 ALA H . . 4.360 3.288 2.416 4.358 . 0 0 "[ . 1 . 2]" 1
137 1 22 ARG QD 1 25 VAL H . . 4.730 4.827 4.498 5.097 0.367 11 0 "[ . 1 . 2]" 1
138 1 22 ARG QD 1 59 TRP HB2 . . 5.500 4.209 2.379 4.894 . 0 0 "[ . 1 . 2]" 1
139 1 22 ARG QD 1 59 TRP HB3 . . 5.500 5.169 3.795 5.565 0.065 9 0 "[ . 1 . 2]" 1
140 1 22 ARG QD 1 63 TYR QE . . 4.360 4.358 3.469 4.570 0.210 7 0 "[ . 1 . 2]" 1
141 1 23 ALA H 1 23 ALA MB . . 3.010 2.252 2.214 2.292 . 0 0 "[ . 1 . 2]" 1
142 1 23 ALA H 1 24 ASN H . . 4.080 2.577 2.399 2.724 . 0 0 "[ . 1 . 2]" 1
143 1 23 ALA HA 1 25 VAL H . . 4.320 3.796 3.604 4.001 . 0 0 "[ . 1 . 2]" 1
144 1 23 ALA MB 1 24 ASN H . . 3.420 3.154 3.089 3.230 . 0 0 "[ . 1 . 2]" 1
145 1 23 ALA MB 1 24 ASN HA . . 5.500 4.003 3.890 4.110 . 0 0 "[ . 1 . 2]" 1
146 1 23 ALA MB 1 25 VAL H . . 5.500 4.549 4.449 4.728 . 0 0 "[ . 1 . 2]" 1
147 1 24 ASN H 1 24 ASN HB2 . . 3.630 2.864 2.729 3.661 0.031 20 0 "[ . 1 . 2]" 1
148 1 24 ASN H 1 24 ASN HB3 . . 3.520 2.518 2.265 2.628 . 0 0 "[ . 1 . 2]" 1
149 1 24 ASN H 1 25 VAL H . . 3.210 2.352 2.169 2.481 . 0 0 "[ . 1 . 2]" 1
150 1 24 ASN HA 1 45 LYS HB2 . . 5.500 3.503 3.070 3.950 . 0 0 "[ . 1 . 2]" 1
151 1 24 ASN HA 1 45 LYS HB3 . . 5.500 4.919 4.522 5.326 . 0 0 "[ . 1 . 2]" 1
152 1 24 ASN HA 1 45 LYS HD3 . . 5.500 2.179 1.884 2.608 . 0 0 "[ . 1 . 2]" 1
153 1 24 ASN HA 1 45 LYS HG2 . . 5.500 4.875 4.513 5.317 . 0 0 "[ . 1 . 2]" 1
154 1 24 ASN HA 1 45 LYS HG3 . . 5.500 3.718 3.226 4.229 . 0 0 "[ . 1 . 2]" 1
155 1 24 ASN HB2 1 25 VAL H . . 4.730 4.453 4.305 4.735 0.005 20 0 "[ . 1 . 2]" 1
156 1 24 ASN HB2 1 25 VAL QG . . 5.440 4.584 4.402 4.805 . 0 0 "[ . 1 . 2]" 1
157 1 24 ASN HB2 1 44 LEU QD . . 5.440 4.108 2.249 5.262 . 0 0 "[ . 1 . 2]" 1
158 1 24 ASN HB2 1 45 LYS HD3 . . 5.500 4.567 4.272 4.914 . 0 0 "[ . 1 . 2]" 1
159 1 24 ASN HB3 1 25 VAL H . . 4.330 3.657 3.371 4.352 0.022 20 0 "[ . 1 . 2]" 1
160 1 24 ASN HB3 1 44 LEU QD . . 5.440 3.277 2.479 4.872 . 0 0 "[ . 1 . 2]" 1
161 1 24 ASN QD 1 44 LEU HB2 . . 4.290 4.232 3.534 4.490 0.200 20 0 "[ . 1 . 2]" 1
162 1 24 ASN QD 1 44 LEU QD . . 4.170 1.919 1.615 2.653 . 0 0 "[ . 1 . 2]" 1
163 1 25 VAL H 1 25 VAL MG1 . . 4.290 2.520 2.389 2.725 . 0 0 "[ . 1 . 2]" 1
164 1 25 VAL H 1 25 VAL MG2 . . 4.290 2.240 2.080 2.392 . 0 0 "[ . 1 . 2]" 1
165 1 25 VAL HB 1 44 LEU H . . 5.500 5.554 5.468 5.648 0.148 11 0 "[ . 1 . 2]" 1
166 1 25 VAL QG 1 26 LYS H . . 5.030 3.212 3.105 3.412 . 0 0 "[ . 1 . 2]" 1
167 1 25 VAL QG 1 42 ALA HA . . 5.440 4.162 3.903 4.335 . 0 0 "[ . 1 . 2]" 1
168 1 25 VAL QG 1 44 LEU H . . 5.440 4.713 4.396 5.045 . 0 0 "[ . 1 . 2]" 1
169 1 25 VAL QG 1 59 TRP HH2 . . 3.900 2.303 2.014 2.755 . 0 0 "[ . 1 . 2]" 1
170 1 25 VAL QG 1 59 TRP HZ2 . . 3.770 3.501 3.113 3.791 0.021 2 0 "[ . 1 . 2]" 1
171 1 25 VAL QG 4 9 TYR HB2 . . 3.970 3.860 2.785 4.211 0.241 19 0 "[ . 1 . 2]" 1
172 1 25 VAL QG 4 9 TYR HB3 . . 3.730 3.406 2.678 3.817 0.087 10 0 "[ . 1 . 2]" 1
173 1 25 VAL QG 4 9 TYR QD . . 3.510 2.656 2.092 3.314 . 0 0 "[ . 1 . 2]" 1
174 1 25 VAL QG 4 9 TYR QE . . 3.660 3.020 2.280 3.683 0.023 14 0 "[ . 1 . 2]" 1
175 1 26 LYS H 1 26 LYS HB2 . . 4.160 2.601 2.494 2.708 . 0 0 "[ . 1 . 2]" 1
176 1 26 LYS H 1 26 LYS QB . . 3.620 2.547 2.453 2.638 . 0 0 "[ . 1 . 2]" 1
177 1 26 LYS H 1 26 LYS HB3 . . 4.160 3.647 3.597 3.701 . 0 0 "[ . 1 . 2]" 1
178 1 26 LYS H 1 26 LYS QD . . 4.160 3.983 3.475 4.262 0.102 4 0 "[ . 1 . 2]" 1
179 1 26 LYS H 1 26 LYS QG . . 3.660 2.127 2.001 2.200 . 0 0 "[ . 1 . 2]" 1
180 1 26 LYS H 1 27 HIS H . . 3.630 2.278 2.127 2.580 . 0 0 "[ . 1 . 2]" 1
181 1 26 LYS H 1 43 ARG H . . 5.360 3.528 3.110 3.827 . 0 0 "[ . 1 . 2]" 1
182 1 26 LYS H 1 43 ARG O . . 2.000 1.760 1.692 1.957 . 0 0 "[ . 1 . 2]" 1
183 1 26 LYS H 1 45 LYS HG3 . . 5.500 3.556 3.052 3.934 . 0 0 "[ . 1 . 2]" 1
184 1 26 LYS HA 1 45 LYS HD2 . . 5.500 4.026 3.214 4.580 . 0 0 "[ . 1 . 2]" 1
185 1 26 LYS HA 1 45 LYS HD3 . . 5.500 5.241 4.609 5.554 0.054 1 0 "[ . 1 . 2]" 1
186 1 26 LYS HA 1 45 LYS HG2 . . 5.500 3.388 2.664 4.070 . 0 0 "[ . 1 . 2]" 1
187 1 26 LYS HA 1 45 LYS HG3 . . 5.500 3.572 3.041 3.897 . 0 0 "[ . 1 . 2]" 1
188 1 26 LYS QB 1 26 LYS QD . . 3.190 2.173 1.999 2.381 . 0 0 "[ . 1 . 2]" 1
189 1 26 LYS QB 1 26 LYS QE . . 3.470 3.063 2.003 3.519 0.049 12 0 "[ . 1 . 2]" 1
190 1 26 LYS QB 1 27 HIS HE1 . . 4.470 4.160 3.776 4.581 0.111 4 0 "[ . 1 . 2]" 1
191 1 26 LYS QB 1 43 ARG H . . 4.450 3.773 3.098 4.311 . 0 0 "[ . 1 . 2]" 1
192 1 26 LYS QB 1 45 LYS HA . . 5.340 4.450 3.966 5.270 . 0 0 "[ . 1 . 2]" 1
193 1 26 LYS HB2 1 26 LYS QE . . 4.190 3.346 2.043 4.024 . 0 0 "[ . 1 . 2]" 1
194 1 26 LYS HB2 1 27 HIS H . . 3.740 2.459 1.901 2.760 . 0 0 "[ . 1 . 2]" 1
195 1 26 LYS HB3 1 26 LYS QE . . 4.190 3.626 2.522 4.112 . 0 0 "[ . 1 . 2]" 1
196 1 26 LYS HB3 1 27 HIS H . . 3.740 3.661 3.155 3.808 0.068 8 0 "[ . 1 . 2]" 1
197 1 26 LYS QD 1 27 HIS H . . 5.500 4.698 3.971 5.327 . 0 0 "[ . 1 . 2]" 1
198 1 26 LYS QE 1 43 ARG H . . 5.070 5.014 4.363 5.281 0.211 16 0 "[ . 1 . 2]" 1
199 1 26 LYS QE 1 45 LYS H . . 5.500 4.300 3.567 5.409 . 0 0 "[ . 1 . 2]" 1
200 1 26 LYS QE 1 45 LYS HA . . 5.280 2.684 1.818 3.786 . 0 0 "[ . 1 . 2]" 1
201 1 26 LYS QG 1 27 HIS H . . 3.470 3.610 3.525 3.700 0.230 6 0 "[ . 1 . 2]" 1
202 1 26 LYS QG 1 45 LYS H . . 3.720 3.550 3.283 3.845 0.125 16 0 "[ . 1 . 2]" 1
203 1 26 LYS QG 1 45 LYS HA . . 4.590 2.462 1.917 3.244 . 0 0 "[ . 1 . 2]" 1
204 1 26 LYS N 1 43 ARG O . . 3.000 2.718 2.658 2.892 . 0 0 "[ . 1 . 2]" 1
205 1 27 HIS H 1 42 ALA HA . . 4.460 4.264 3.870 4.476 0.016 14 0 "[ . 1 . 2]" 1
206 1 27 HIS H 1 42 ALA MB . . 5.500 3.592 3.241 4.018 . 0 0 "[ . 1 . 2]" 1
207 1 27 HIS H 1 43 ARG H . . 3.980 3.100 2.779 3.321 . 0 0 "[ . 1 . 2]" 1
208 1 27 HIS HA 3 31 LEU HA . . 5.270 3.920 3.450 4.577 . 0 0 "[ . 1 . 2]" 1
209 1 27 HIS HA 3 31 LEU QD . . 5.440 3.872 3.057 5.443 0.003 19 0 "[ . 1 . 2]" 1
210 1 27 HIS HB2 1 28 LEU H . . 4.280 2.071 1.952 2.189 . 0 0 "[ . 1 . 2]" 1
211 1 27 HIS HB2 3 31 LEU QD . . 5.440 2.506 2.002 3.758 . 0 0 "[ . 1 . 2]" 1
212 1 27 HIS HB3 1 28 LEU H . . 4.090 3.596 3.509 3.655 . 0 0 "[ . 1 . 2]" 1
213 1 27 HIS HB3 3 31 LEU QD . . 5.360 2.284 1.764 3.822 . 0 0 "[ . 1 . 2]" 1
214 1 27 HIS HD2 3 29 LYS QB . . 5.500 4.524 2.355 5.498 . 0 0 "[ . 1 . 2]" 1
215 1 27 HIS HD2 3 29 LYS HD2 . . 5.500 4.100 3.545 4.742 . 0 0 "[ . 1 . 2]" 1
216 1 27 HIS HD2 3 29 LYS HD3 . . 5.500 3.556 2.548 4.345 . 0 0 "[ . 1 . 2]" 1
217 1 27 HIS HD2 3 29 LYS QE . . 5.340 5.046 3.846 5.375 0.035 18 0 "[ . 1 . 2]" 1
218 1 27 HIS HD2 3 29 LYS HG2 . . 5.500 4.675 4.003 5.528 0.028 14 0 "[ . 1 . 2]" 1
219 1 27 HIS HD2 3 29 LYS HG3 . . 5.500 3.184 2.579 4.505 . 0 0 "[ . 1 . 2]" 1
220 1 27 HIS HD2 3 31 LEU QD . . 4.980 3.659 3.266 4.532 . 0 0 "[ . 1 . 2]" 1
221 1 27 HIS HE1 1 29 LYS QE . . 4.660 4.692 4.573 4.766 0.106 6 0 "[ . 1 . 2]" 1
222 1 27 HIS HE1 1 43 ARG QB . . 4.000 3.834 3.033 4.114 0.114 19 0 "[ . 1 . 2]" 1
223 1 27 HIS HE1 1 43 ARG QD . . 4.260 3.563 2.553 4.416 0.156 8 0 "[ . 1 . 2]" 1
224 1 27 HIS HE1 1 43 ARG QG . . 4.010 3.814 2.547 4.158 0.148 19 0 "[ . 1 . 2]" 1
225 1 27 HIS HE1 3 29 LYS HD2 . . 4.340 3.793 3.009 4.406 0.066 19 0 "[ . 1 . 2]" 1
226 1 27 HIS HE1 3 29 LYS HD3 . . 4.340 4.014 3.367 4.455 0.115 15 0 "[ . 1 . 2]" 1
227 1 27 HIS HE1 3 29 LYS QE . . 4.600 4.608 3.909 4.807 0.207 18 0 "[ . 1 . 2]" 1
228 1 27 HIS HE1 3 31 LEU MD1 . . 4.550 4.427 3.820 4.704 0.154 19 0 "[ . 1 . 2]" 1
229 1 27 HIS HE1 3 31 LEU MD2 . . 4.550 4.407 3.593 4.698 0.148 3 0 "[ . 1 . 2]" 1
230 1 28 LEU H 1 28 LEU MD1 . . 4.610 3.804 2.539 4.170 . 0 0 "[ . 1 . 2]" 1
231 1 28 LEU H 1 28 LEU QD . . 3.930 3.248 2.521 3.477 . 0 0 "[ . 1 . 2]" 1
232 1 28 LEU H 1 28 LEU MD2 . . 4.610 3.785 3.489 4.334 . 0 0 "[ . 1 . 2]" 1
233 1 28 LEU H 1 28 LEU HG . . 4.220 3.211 2.698 4.223 0.003 16 0 "[ . 1 . 2]" 1
234 1 28 LEU H 3 30 ILE H . . 4.480 3.223 3.053 3.483 . 0 0 "[ . 1 . 2]" 1
235 1 28 LEU H 3 30 ILE HB . . 4.560 3.235 2.770 3.845 . 0 0 "[ . 1 . 2]" 1
236 1 28 LEU H 3 30 ILE O . . 2.000 2.079 1.920 2.133 0.133 14 0 "[ . 1 . 2]" 1
237 1 28 LEU HA 1 43 ARG H . . 5.500 4.467 4.090 5.012 . 0 0 "[ . 1 . 2]" 1
238 1 28 LEU HB2 1 63 TYR QE . . 4.350 4.163 3.418 4.434 0.084 5 0 "[ . 1 . 2]" 1
239 1 28 LEU HB2 3 30 ILE H . . 4.510 3.156 2.851 3.490 . 0 0 "[ . 1 . 2]" 1
240 1 28 LEU HB2 3 30 ILE HB . . 5.500 2.157 1.870 2.642 . 0 0 "[ . 1 . 2]" 1
241 1 28 LEU HB3 1 29 LYS H . . 5.500 2.924 2.465 3.275 . 0 0 "[ . 1 . 2]" 1
242 1 28 LEU HB3 3 30 ILE H . . 4.580 4.167 3.669 4.506 . 0 0 "[ . 1 . 2]" 1
243 1 28 LEU HB3 3 30 ILE HB . . 5.500 3.761 3.403 4.284 . 0 0 "[ . 1 . 2]" 1
244 1 28 LEU QD 1 29 LYS H . . 3.690 3.623 3.373 3.975 0.285 18 0 "[ . 1 . 2]" 1
245 1 28 LEU QD 1 42 ALA HA . . 5.340 3.701 3.133 4.755 . 0 0 "[ . 1 . 2]" 1
246 1 28 LEU QD 1 42 ALA MB . . 3.830 2.501 1.995 3.521 . 0 0 "[ . 1 . 2]" 1
247 1 28 LEU QD 1 59 TRP HH2 . . 4.550 3.113 2.177 3.934 . 0 0 "[ . 1 . 2]" 1
248 1 28 LEU QD 1 59 TRP HZ2 . . 5.440 4.877 4.138 5.470 0.030 20 0 "[ . 1 . 2]" 1
249 1 28 LEU QD 1 59 TRP HZ3 . . 4.650 2.204 1.846 2.844 . 0 0 "[ . 1 . 2]" 1
250 1 28 LEU QD 1 60 ILE QG . . 4.240 3.699 3.375 4.003 . 0 0 "[ . 1 . 2]" 1
251 1 28 LEU QD 1 63 TYR HB2 . . 5.440 3.804 3.538 4.070 . 0 0 "[ . 1 . 2]" 1
252 1 28 LEU QD 1 63 TYR HB3 . . 5.440 3.303 2.977 3.526 . 0 0 "[ . 1 . 2]" 1
253 1 28 LEU QD 1 63 TYR QD . . 3.970 2.755 2.353 3.008 . 0 0 "[ . 1 . 2]" 1
254 1 28 LEU QD 1 63 TYR QE . . 4.330 2.764 2.380 3.265 . 0 0 "[ . 1 . 2]" 1
255 1 28 LEU QD 1 64 LEU H . . 4.580 4.712 4.613 4.808 0.228 8 0 "[ . 1 . 2]" 1
256 1 28 LEU QD 3 30 ILE HB . . 5.440 3.072 2.650 3.423 . 0 0 "[ . 1 . 2]" 1
257 1 28 LEU QD 3 30 ILE MD . . 4.010 2.528 2.112 3.280 . 0 0 "[ . 1 . 2]" 1
258 1 28 LEU QD 3 30 ILE QG . . 5.440 3.883 3.431 4.439 . 0 0 "[ . 1 . 2]" 1
259 1 28 LEU QD 3 30 ILE MG . . 5.120 3.378 3.054 3.767 . 0 0 "[ . 1 . 2]" 1
260 1 28 LEU MD1 1 29 LYS H . . 4.910 4.780 4.489 5.005 0.095 6 0 "[ . 1 . 2]" 1
261 1 28 LEU MD1 1 59 TRP HH2 . . 5.260 4.614 3.610 5.278 0.018 13 0 "[ . 1 . 2]" 1
262 1 28 LEU MD1 1 59 TRP HZ3 . . 5.500 3.082 2.180 4.077 . 0 0 "[ . 1 . 2]" 1
263 1 28 LEU MD1 3 30 ILE H . . 5.500 4.856 4.474 5.221 . 0 0 "[ . 1 . 2]" 1
264 1 28 LEU MD2 1 29 LYS H . . 4.910 3.776 3.444 4.363 . 0 0 "[ . 1 . 2]" 1
265 1 28 LEU MD2 1 59 TRP HH2 . . 5.260 3.307 2.189 4.697 . 0 0 "[ . 1 . 2]" 1
266 1 28 LEU MD2 1 59 TRP HZ3 . . 5.500 2.419 1.871 3.473 . 0 0 "[ . 1 . 2]" 1
267 1 28 LEU MD2 3 30 ILE H . . 5.500 5.365 4.613 5.621 0.121 3 0 "[ . 1 . 2]" 1
268 1 28 LEU N 3 30 ILE O . . 3.000 3.055 2.873 3.108 0.108 10 0 "[ . 1 . 2]" 1
269 1 28 LEU O 3 30 ILE H . . 2.000 1.787 1.632 1.970 . 0 0 "[ . 1 . 2]" 1
270 1 28 LEU O 3 30 ILE N . . 3.000 2.718 2.617 2.855 . 0 0 "[ . 1 . 2]" 1
271 1 29 LYS H 1 29 LYS HG2 . . 4.730 4.083 2.736 4.774 0.044 16 0 "[ . 1 . 2]" 1
272 1 29 LYS H 1 29 LYS HG3 . . 4.270 4.319 3.538 4.503 0.233 18 0 "[ . 1 . 2]" 1
273 1 29 LYS H 1 30 ILE H . . 4.880 4.158 4.062 4.322 . 0 0 "[ . 1 . 2]" 1
274 1 29 LYS H 1 40 ILE MD . . 5.500 5.040 4.382 5.504 0.004 6 0 "[ . 1 . 2]" 1
275 1 29 LYS H 1 40 ILE MG . . 5.500 2.679 2.326 3.062 . 0 0 "[ . 1 . 2]" 1
276 1 29 LYS H 1 41 VAL H . . 4.240 2.836 2.520 3.165 . 0 0 "[ . 1 . 2]" 1
277 1 29 LYS H 1 41 VAL MG1 . . 5.500 4.801 4.483 5.197 . 0 0 "[ . 1 . 2]" 1
278 1 29 LYS H 1 41 VAL MG2 . . 5.500 4.495 3.104 5.042 . 0 0 "[ . 1 . 2]" 1
279 1 29 LYS H 1 41 VAL O . . 2.000 2.004 1.808 2.077 0.077 9 0 "[ . 1 . 2]" 1
280 1 29 LYS H 1 42 ALA HA . . 5.500 3.503 3.172 3.803 . 0 0 "[ . 1 . 2]" 1
281 1 29 LYS HA 1 29 LYS HD2 . . 5.500 4.837 4.120 5.584 0.084 3 0 "[ . 1 . 2]" 1
282 1 29 LYS HA 1 29 LYS HD3 . . 5.500 4.060 2.705 4.811 . 0 0 "[ . 1 . 2]" 1
283 1 29 LYS HA 1 29 LYS HE2 . . 5.500 5.354 4.252 5.746 0.246 14 0 "[ . 1 . 2]" 1
284 1 29 LYS HA 1 29 LYS HE3 . . 5.500 4.500 3.203 5.391 . 0 0 "[ . 1 . 2]" 1
285 1 29 LYS QB 1 30 ILE H . . 5.500 3.745 3.099 3.966 . 0 0 "[ . 1 . 2]" 1
286 1 29 LYS QB 1 41 VAL H . . 4.280 3.490 2.748 4.322 0.042 19 0 "[ . 1 . 2]" 1
287 1 29 LYS QB 3 27 HIS HD2 . . 5.500 4.449 2.701 5.171 . 0 0 "[ . 1 . 2]" 1
288 1 29 LYS HD2 1 29 LYS HG2 . . 2.880 2.340 2.273 2.446 . 0 0 "[ . 1 . 2]" 1
289 1 29 LYS HD2 2 14 TYR QD . . 5.500 3.633 2.899 4.648 . 0 0 "[ . 1 . 2]" 1
290 1 29 LYS HD2 3 27 HIS HD2 . . 5.500 4.313 3.679 5.417 . 0 0 "[ . 1 . 2]" 1
291 1 29 LYS HD2 3 27 HIS HE1 . . 4.340 3.922 2.940 4.483 0.143 18 0 "[ . 1 . 2]" 1
292 1 29 LYS HD3 2 14 TYR QD . . 4.850 4.760 3.846 4.999 0.149 6 0 "[ . 1 . 2]" 1
293 1 29 LYS HD3 3 27 HIS HD2 . . 5.500 3.608 2.533 4.360 . 0 0 "[ . 1 . 2]" 1
294 1 29 LYS HD3 3 27 HIS HE1 . . 4.340 3.867 2.920 4.479 0.139 16 0 "[ . 1 . 2]" 1
295 1 29 LYS QE 1 31 LEU QD . . 4.760 3.795 2.325 4.636 . 0 0 "[ . 1 . 2]" 1
296 1 29 LYS QE 3 27 HIS HD2 . . 5.340 5.089 3.887 5.395 0.055 6 0 "[ . 1 . 2]" 1
297 1 29 LYS QE 3 27 HIS HE1 . . 4.600 4.610 4.104 4.751 0.151 17 0 "[ . 1 . 2]" 1
298 1 29 LYS HG2 1 30 ILE H . . 5.500 3.957 3.172 5.044 . 0 0 "[ . 1 . 2]" 1
299 1 29 LYS HG2 2 14 TYR QE . . 3.920 3.794 2.918 4.074 0.154 19 0 "[ . 1 . 2]" 1
300 1 29 LYS HG2 3 27 HIS HD2 . . 5.500 4.730 3.615 5.512 0.012 16 0 "[ . 1 . 2]" 1
301 1 29 LYS HG3 2 14 TYR QE . . 5.310 4.606 2.790 5.387 0.077 2 0 "[ . 1 . 2]" 1
302 1 29 LYS HG3 3 27 HIS HD2 . . 5.500 3.275 2.611 4.469 . 0 0 "[ . 1 . 2]" 1
303 1 29 LYS N 1 41 VAL O . . 3.000 2.811 2.728 2.914 . 0 0 "[ . 1 . 2]" 1
304 1 29 LYS O 1 41 VAL H . . 2.000 1.703 1.624 2.048 0.048 19 0 "[ . 1 . 2]" 1
305 1 29 LYS O 1 41 VAL N . . 3.000 2.672 2.600 2.974 . 0 0 "[ . 1 . 2]" 1
306 1 30 ILE H 1 30 ILE MD . . 4.040 3.915 3.814 4.069 0.029 15 0 "[ . 1 . 2]" 1
307 1 30 ILE H 1 30 ILE QG . . 4.050 2.440 2.317 2.692 . 0 0 "[ . 1 . 2]" 1
308 1 30 ILE H 1 30 ILE MG . . 4.060 3.869 3.831 3.917 . 0 0 "[ . 1 . 2]" 1
309 1 30 ILE H 3 28 LEU H . . 4.480 3.206 3.049 3.635 . 0 0 "[ . 1 . 2]" 1
310 1 30 ILE H 3 28 LEU HB2 . . 4.510 3.141 2.868 3.396 . 0 0 "[ . 1 . 2]" 1
311 1 30 ILE H 3 28 LEU HB3 . . 4.580 4.166 3.741 4.442 . 0 0 "[ . 1 . 2]" 1
312 1 30 ILE H 3 28 LEU MD1 . . 5.500 4.841 4.456 5.049 . 0 0 "[ . 1 . 2]" 1
313 1 30 ILE H 3 28 LEU MD2 . . 5.500 5.360 4.695 5.590 0.090 19 0 "[ . 1 . 2]" 1
314 1 30 ILE H 3 28 LEU O . . 2.000 1.786 1.676 1.927 . 0 0 "[ . 1 . 2]" 1
315 1 30 ILE HA 1 40 ILE MD . . 5.500 4.150 2.553 4.833 . 0 0 "[ . 1 . 2]" 1
316 1 30 ILE HA 1 40 ILE MG . . 5.500 3.368 2.891 4.022 . 0 0 "[ . 1 . 2]" 1
317 1 30 ILE HB 1 31 LEU H . . 3.890 3.956 3.916 3.995 0.105 7 0 "[ . 1 . 2]" 1
318 1 30 ILE HB 3 28 LEU H . . 4.560 3.315 2.903 3.732 . 0 0 "[ . 1 . 2]" 1
319 1 30 ILE HB 3 28 LEU HB2 . . 5.500 2.210 1.958 2.572 . 0 0 "[ . 1 . 2]" 1
320 1 30 ILE HB 3 28 LEU HB3 . . 5.500 3.800 3.442 4.060 . 0 0 "[ . 1 . 2]" 1
321 1 30 ILE HB 3 28 LEU QD . . 5.440 3.074 2.646 3.349 . 0 0 "[ . 1 . 2]" 1
322 1 30 ILE HB 3 63 TYR QE . . 4.020 3.085 2.440 3.629 . 0 0 "[ . 1 . 2]" 1
323 1 30 ILE MD 1 30 ILE MG . . 3.800 1.877 1.831 1.912 . 0 0 "[ . 1 . 2]" 1
324 1 30 ILE MD 1 31 LEU H . . 5.500 5.057 4.876 5.168 . 0 0 "[ . 1 . 2]" 1
325 1 30 ILE MD 3 28 LEU QD . . 4.010 2.648 2.214 3.426 . 0 0 "[ . 1 . 2]" 1
326 1 30 ILE MD 3 63 TYR QD . . 3.740 3.382 3.171 3.667 . 0 0 "[ . 1 . 2]" 1
327 1 30 ILE MD 3 63 TYR QE . . 3.860 2.872 2.529 3.354 . 0 0 "[ . 1 . 2]" 1
328 1 30 ILE MD 3 64 LEU HA . . 5.500 4.209 3.491 4.693 . 0 0 "[ . 1 . 2]" 1
329 1 30 ILE QG 1 31 LEU H . . 4.810 4.264 4.130 4.366 . 0 0 "[ . 1 . 2]" 1
330 1 30 ILE QG 3 28 LEU QD . . 5.440 3.939 3.563 4.400 . 0 0 "[ . 1 . 2]" 1
331 1 30 ILE QG 3 63 TYR QE . . 4.470 4.270 3.920 4.512 0.042 7 0 "[ . 1 . 2]" 1
332 1 30 ILE MG 1 31 LEU H . . 3.930 2.533 2.396 2.641 . 0 0 "[ . 1 . 2]" 1
333 1 30 ILE MG 1 38 CYS HA . . 5.500 3.875 3.111 4.567 . 0 0 "[ . 1 . 2]" 1
334 1 30 ILE MG 1 40 ILE MD . . 3.990 3.034 2.073 3.686 . 0 0 "[ . 1 . 2]" 1
335 1 30 ILE MG 1 40 ILE QG . . 4.910 2.563 1.928 3.949 . 0 0 "[ . 1 . 2]" 1
336 1 30 ILE MG 3 28 LEU QD . . 5.120 3.442 3.061 3.824 . 0 0 "[ . 1 . 2]" 1
337 1 30 ILE MG 3 63 TYR QD . . 3.880 3.618 3.051 3.908 0.028 8 0 "[ . 1 . 2]" 1
338 1 30 ILE MG 3 63 TYR QE . . 3.550 1.903 1.816 2.022 . 0 0 "[ . 1 . 2]" 1
339 1 30 ILE N 3 28 LEU O . . 3.000 2.714 2.631 2.859 . 0 0 "[ . 1 . 2]" 1
340 1 30 ILE O 3 28 LEU H . . 2.000 2.073 1.869 2.146 0.146 12 0 "[ . 1 . 2]" 1
341 1 30 ILE O 3 28 LEU N . . 3.000 3.050 2.821 3.131 0.131 12 0 "[ . 1 . 2]" 1
342 1 31 LEU H 1 31 LEU QD . . 3.920 2.824 2.175 3.081 . 0 0 "[ . 1 . 2]" 1
343 1 31 LEU H 1 39 GLN H . . 3.560 3.264 2.654 3.598 0.038 17 0 "[ . 1 . 2]" 1
344 1 31 LEU H 1 39 GLN QB . . 5.500 3.596 2.917 3.905 . 0 0 "[ . 1 . 2]" 1
345 1 31 LEU HA 1 39 GLN QB . . 5.500 5.402 4.799 5.596 0.096 19 0 "[ . 1 . 2]" 1
346 1 31 LEU HA 3 27 HIS HA . . 5.270 3.845 3.524 4.200 . 0 0 "[ . 1 . 2]" 1
347 1 31 LEU QB 2 14 TYR QD . . 3.480 3.521 2.973 3.725 0.245 4 0 "[ . 1 . 2]" 1
348 1 31 LEU QB 2 14 TYR QE . . 3.240 3.338 3.103 3.490 0.250 6 0 "[ . 1 . 2]" 1
349 1 31 LEU QD 1 32 ASN H . . 4.260 3.882 3.139 4.330 0.070 7 0 "[ . 1 . 2]" 1
350 1 31 LEU QD 2 14 TYR HB2 . . 3.730 2.581 1.904 3.044 . 0 0 "[ . 1 . 2]" 1
351 1 31 LEU QD 2 14 TYR HB3 . . 3.970 2.760 2.090 3.385 . 0 0 "[ . 1 . 2]" 1
352 1 31 LEU QD 2 14 TYR QD . . 2.950 2.246 1.820 2.767 . 0 0 "[ . 1 . 2]" 1
353 1 31 LEU QD 2 14 TYR QE . . 2.830 2.600 2.142 2.899 0.069 7 0 "[ . 1 . 2]" 1
354 1 31 LEU QD 3 27 HIS HA . . 5.440 3.894 3.261 5.455 0.015 3 0 "[ . 1 . 2]" 1
355 1 31 LEU QD 3 27 HIS HB2 . . 5.440 2.545 2.021 3.712 . 0 0 "[ . 1 . 2]" 1
356 1 31 LEU QD 3 27 HIS HB3 . . 5.360 2.313 1.805 4.013 . 0 0 "[ . 1 . 2]" 1
357 1 31 LEU QD 3 27 HIS HD2 . . 4.980 3.663 2.904 3.945 . 0 0 "[ . 1 . 2]" 1
358 1 31 LEU MD1 1 32 ASN H . . 5.500 4.573 3.193 5.010 . 0 0 "[ . 1 . 2]" 1
359 1 31 LEU MD1 2 14 TYR QD . . 3.690 3.078 2.521 3.485 . 0 0 "[ . 1 . 2]" 1
360 1 31 LEU MD1 2 14 TYR QE . . 3.310 2.888 2.547 3.419 0.109 12 0 "[ . 1 . 2]" 1
361 1 31 LEU MD1 3 27 HIS HE1 . . 4.550 4.432 3.567 4.704 0.154 3 0 "[ . 1 . 2]" 1
362 1 31 LEU MD2 1 32 ASN H . . 5.500 4.356 3.647 4.955 . 0 0 "[ . 1 . 2]" 1
363 1 31 LEU MD2 2 14 TYR QD . . 3.690 2.517 1.838 3.701 0.011 6 0 "[ . 1 . 2]" 1
364 1 31 LEU MD2 2 14 TYR QE . . 3.310 3.039 2.273 3.379 0.069 11 0 "[ . 1 . 2]" 1
365 1 31 LEU MD2 3 27 HIS HE1 . . 4.550 4.416 3.939 4.661 0.111 19 0 "[ . 1 . 2]" 1
366 1 32 ASN HA 1 33 THR H . . 3.480 2.183 2.098 2.295 . 0 0 "[ . 1 . 2]" 1
367 1 33 THR H 1 33 THR MG . . 4.290 2.970 2.322 3.841 . 0 0 "[ . 1 . 2]" 1
368 1 33 THR HB 1 34 PRO QD . . 5.500 2.737 1.928 3.998 . 0 0 "[ . 1 . 2]" 1
369 1 33 THR MG 1 34 PRO QD . . 5.200 2.799 1.774 3.383 . 0 0 "[ . 1 . 2]" 1
370 1 33 THR MG 1 36 CYS HB2 . . 5.500 4.260 3.544 4.752 . 0 0 "[ . 1 . 2]" 1
371 1 33 THR MG 1 36 CYS HB3 . . 5.500 5.362 3.985 5.609 0.109 3 0 "[ . 1 . 2]" 1
372 1 33 THR MG 1 39 GLN QE . . 5.340 4.793 3.714 5.471 0.131 6 0 "[ . 1 . 2]" 1
373 1 33 THR MG 2 14 TYR QD . . 4.050 3.783 2.123 4.205 0.155 9 0 "[ . 1 . 2]" 1
374 1 33 THR MG 2 16 GLU HB2 . . 3.640 2.754 1.795 3.907 0.267 8 0 "[ . 1 . 2]" 1
375 1 33 THR MG 2 17 GLU HA . . 4.050 4.184 4.033 4.316 0.266 1 0 "[ . 1 . 2]" 1
376 1 36 CYS H 1 36 CYS HB2 . . 4.050 2.636 2.424 2.906 . 0 0 "[ . 1 . 2]" 1
377 1 36 CYS H 1 36 CYS HB3 . . 3.830 3.699 2.977 3.846 0.016 14 0 "[ . 1 . 2]" 1
378 1 36 CYS HB2 1 39 GLN HE21 . . 4.620 4.262 3.085 4.677 0.057 12 0 "[ . 1 . 2]" 1
379 1 36 CYS HB2 1 39 GLN QE . . 4.010 3.316 2.469 4.079 0.069 5 0 "[ . 1 . 2]" 1
380 1 36 CYS HB2 1 39 GLN HE22 . . 4.620 3.570 2.493 4.654 0.034 11 0 "[ . 1 . 2]" 1
381 1 37 ALA MB 1 38 CYS H . . 3.610 1.930 1.802 2.076 . 0 0 "[ . 1 . 2]" 1
382 1 37 ALA MB 1 39 GLN HE21 . . 5.500 4.840 4.121 5.604 0.104 10 0 "[ . 1 . 2]" 1
383 1 37 ALA MB 1 39 GLN HE22 . . 5.500 4.780 3.800 5.624 0.124 15 0 "[ . 1 . 2]" 1
384 1 37 ALA MB 1 56 LYS QD . . 5.390 5.064 3.893 5.530 0.140 16 0 "[ . 1 . 2]" 1
385 1 38 CYS CB 3 67 CYS CB . . 3.990 3.772 3.604 3.970 . 0 0 "[ . 1 . 2]" 1
386 1 38 CYS CB 3 67 CYS SG . . 3.100 3.056 3.010 3.091 . 0 0 "[ . 1 . 2]" 1
387 1 38 CYS H 1 38 CYS HB2 . . 4.150 2.839 2.317 3.575 . 0 0 "[ . 1 . 2]" 1
388 1 38 CYS H 1 38 CYS QB . . 3.650 2.460 2.156 3.045 . 0 0 "[ . 1 . 2]" 1
389 1 38 CYS H 1 38 CYS HB3 . . 4.150 2.745 2.429 3.596 . 0 0 "[ . 1 . 2]" 1
390 1 38 CYS HA 1 39 GLN H . . 3.350 2.255 2.139 2.473 . 0 0 "[ . 1 . 2]" 1
391 1 38 CYS HB2 1 39 GLN H . . 4.390 4.176 4.025 4.387 . 0 0 "[ . 1 . 2]" 1
392 1 38 CYS HB2 1 55 PRO HB2 . . 5.500 4.968 3.345 5.520 0.020 7 0 "[ . 1 . 2]" 1
393 1 38 CYS HB3 1 39 GLN H . . 4.390 3.985 3.721 4.167 . 0 0 "[ . 1 . 2]" 1
394 1 38 CYS HB3 1 55 PRO HB2 . . 5.500 3.581 2.676 4.973 . 0 0 "[ . 1 . 2]" 1
395 1 38 CYS SG 3 67 CYS CB . . 3.100 3.044 2.998 3.109 0.009 17 0 "[ . 1 . 2]" 1
396 1 38 CYS SG 3 67 CYS SG . . 2.100 2.037 2.024 2.051 . 0 0 "[ . 1 . 2]" 1
397 1 39 GLN H 1 39 GLN QB . . 3.800 2.697 2.437 2.928 . 0 0 "[ . 1 . 2]" 1
398 1 39 GLN H 1 39 GLN QE . . 5.110 3.549 2.053 5.168 0.058 15 0 "[ . 1 . 2]" 1
399 1 39 GLN H 1 39 GLN QG . . 4.270 3.878 2.065 4.230 . 0 0 "[ . 1 . 2]" 1
400 1 39 GLN H 1 55 PRO HG3 . . 3.980 4.039 3.857 4.107 0.127 11 0 "[ . 1 . 2]" 1
401 1 39 GLN QB 1 39 GLN HE22 . . 4.340 3.321 3.103 3.598 . 0 0 "[ . 1 . 2]" 1
402 1 39 GLN QB 1 40 ILE H . . 4.550 3.316 2.614 3.825 . 0 0 "[ . 1 . 2]" 1
403 1 39 GLN QE 1 41 VAL QG . . 5.270 5.063 4.647 5.298 0.028 8 0 "[ . 1 . 2]" 1
404 1 39 GLN QE 1 55 PRO HG3 . . 4.850 4.817 3.783 5.060 0.210 14 0 "[ . 1 . 2]" 1
405 1 40 ILE H 1 40 ILE HB . . 3.690 2.529 2.488 2.584 . 0 0 "[ . 1 . 2]" 1
406 1 40 ILE H 1 40 ILE MD . . 3.800 3.749 3.389 3.902 0.102 19 0 "[ . 1 . 2]" 1
407 1 40 ILE H 1 40 ILE MG . . 3.800 3.795 3.770 3.822 0.022 11 0 "[ . 1 . 2]" 1
408 1 40 ILE H 1 53 ILE H . . 5.500 3.744 3.367 4.127 . 0 0 "[ . 1 . 2]" 1
409 1 40 ILE H 1 55 PRO HG3 . . 5.500 3.692 3.302 4.018 . 0 0 "[ . 1 . 2]" 1
410 1 40 ILE HA 1 41 VAL H . . 3.460 2.134 2.001 2.224 . 0 0 "[ . 1 . 2]" 1
411 1 40 ILE HB 1 41 VAL H . . 3.900 3.961 3.929 4.018 0.118 13 0 "[ . 1 . 2]" 1
412 1 40 ILE HB 1 53 ILE H . . 4.620 3.459 2.665 4.113 . 0 0 "[ . 1 . 2]" 1
413 1 40 ILE HB 1 53 ILE HB . . 5.500 2.308 1.837 2.789 . 0 0 "[ . 1 . 2]" 1
414 1 40 ILE HB 1 53 ILE MG . . 4.900 3.657 3.023 4.246 . 0 0 "[ . 1 . 2]" 1
415 1 40 ILE HB 1 60 ILE QG . . 5.340 4.002 3.602 4.417 . 0 0 "[ . 1 . 2]" 1
416 1 40 ILE MD 1 41 VAL H . . 5.500 4.719 3.849 5.127 . 0 0 "[ . 1 . 2]" 1
417 1 40 ILE MD 1 53 ILE HB . . 5.250 4.007 3.239 4.560 . 0 0 "[ . 1 . 2]" 1
418 1 40 ILE MD 1 60 ILE MD . . 3.940 2.626 2.028 3.395 . 0 0 "[ . 1 . 2]" 1
419 1 40 ILE MD 1 60 ILE QG . . 4.410 3.368 2.650 4.421 0.011 5 0 "[ . 1 . 2]" 1
420 1 40 ILE MD 1 60 ILE MG . . 3.990 2.167 1.791 2.993 . 0 0 "[ . 1 . 2]" 1
421 1 40 ILE QG 1 41 VAL H . . 5.500 4.282 4.068 4.697 . 0 0 "[ . 1 . 2]" 1
422 1 40 ILE QG 1 60 ILE QG . . 5.340 4.274 2.730 4.900 . 0 0 "[ . 1 . 2]" 1
423 1 40 ILE MG 1 41 VAL H . . 4.890 2.528 2.415 2.706 . 0 0 "[ . 1 . 2]" 1
424 1 40 ILE MG 1 53 ILE H . . 5.500 3.834 3.275 4.406 . 0 0 "[ . 1 . 2]" 1
425 1 40 ILE MG 1 53 ILE HB . . 5.260 2.887 2.151 3.494 . 0 0 "[ . 1 . 2]" 1
426 1 40 ILE MG 1 53 ILE QG . . 5.130 3.019 2.520 3.730 . 0 0 "[ . 1 . 2]" 1
427 1 40 ILE MG 1 55 PRO QD . . 5.500 5.261 4.949 5.513 0.013 7 0 "[ . 1 . 2]" 1
428 1 40 ILE MG 1 60 ILE QG . . 5.340 3.972 3.123 4.351 . 0 0 "[ . 1 . 2]" 1
429 1 40 ILE O 1 53 ILE H . . 2.000 1.696 1.619 1.792 . 0 0 "[ . 1 . 2]" 1
430 1 40 ILE O 1 53 ILE N . . 3.000 2.636 2.576 2.707 . 0 0 "[ . 1 . 2]" 1
431 1 41 VAL H 1 41 VAL QG . . 3.980 2.510 2.014 2.933 . 0 0 "[ . 1 . 2]" 1
432 1 41 VAL HA 1 52 CYS HA . . 5.500 2.082 1.863 2.402 . 0 0 "[ . 1 . 2]" 1
433 1 41 VAL HA 1 53 ILE H . . 4.230 2.541 2.090 2.903 . 0 0 "[ . 1 . 2]" 1
434 1 41 VAL MG1 1 42 ALA H . . 4.070 2.884 2.321 3.947 . 0 0 "[ . 1 . 2]" 1
435 1 41 VAL MG2 1 42 ALA H . . 4.070 3.930 3.451 4.111 0.041 17 0 "[ . 1 . 2]" 1
436 1 42 ALA H 1 51 VAL H . . 4.290 3.271 2.972 3.638 . 0 0 "[ . 1 . 2]" 1
437 1 42 ALA H 1 51 VAL O . . 2.000 1.833 1.706 1.953 . 0 0 "[ . 1 . 2]" 1
438 1 42 ALA H 1 53 ILE H . . 4.690 3.806 3.552 4.059 . 0 0 "[ . 1 . 2]" 1
439 1 42 ALA HA 1 43 ARG H . . 3.310 2.228 2.154 2.330 . 0 0 "[ . 1 . 2]" 1
440 1 42 ALA MB 1 43 ARG H . . 3.430 2.754 2.652 2.891 . 0 0 "[ . 1 . 2]" 1
441 1 42 ALA MB 1 51 VAL H . . 4.350 3.702 3.449 4.051 . 0 0 "[ . 1 . 2]" 1
442 1 42 ALA MB 1 51 VAL HB . . 5.500 5.296 4.484 5.546 0.046 12 0 "[ . 1 . 2]" 1
443 1 42 ALA MB 1 51 VAL MG2 . . 3.780 2.916 2.228 3.373 . 0 0 "[ . 1 . 2]" 1
444 1 42 ALA MB 1 53 ILE H . . 4.370 4.382 4.243 4.477 0.107 7 0 "[ . 1 . 2]" 1
445 1 42 ALA MB 1 59 TRP HH2 . . 4.800 3.310 2.846 3.829 . 0 0 "[ . 1 . 2]" 1
446 1 42 ALA MB 1 59 TRP HZ2 . . 4.980 4.738 4.095 5.041 0.061 6 0 "[ . 1 . 2]" 1
447 1 42 ALA N 1 51 VAL O . . 3.000 2.804 2.687 2.916 . 0 0 "[ . 1 . 2]" 1
448 1 42 ALA O 1 51 VAL H . . 2.000 1.959 1.805 2.064 0.064 14 0 "[ . 1 . 2]" 1
449 1 42 ALA O 1 51 VAL N . . 3.000 2.862 2.674 3.006 0.006 2 0 "[ . 1 . 2]" 1
450 1 43 ARG H 1 43 ARG QB . . 3.760 2.395 2.161 2.500 . 0 0 "[ . 1 . 2]" 1
451 1 43 ARG H 1 43 ARG QD . . 5.500 4.285 3.999 4.495 . 0 0 "[ . 1 . 2]" 1
452 1 43 ARG H 1 51 VAL H . . 5.500 5.006 4.700 5.162 . 0 0 "[ . 1 . 2]" 1
453 1 43 ARG HA 1 50 GLN HA . . 5.500 2.297 1.948 2.738 . 0 0 "[ . 1 . 2]" 1
454 1 43 ARG HA 1 50 GLN QG . . 5.500 4.212 2.926 4.904 . 0 0 "[ . 1 . 2]" 1
455 1 43 ARG HA 1 51 VAL H . . 4.310 3.457 3.136 3.800 . 0 0 "[ . 1 . 2]" 1
456 1 43 ARG HA 1 51 VAL MG2 . . 5.500 4.614 4.207 5.211 . 0 0 "[ . 1 . 2]" 1
457 1 43 ARG QB 1 44 LEU H . . 4.210 3.222 2.920 3.923 . 0 0 "[ . 1 . 2]" 1
458 1 43 ARG QB 1 50 GLN QG . . 5.500 4.991 3.328 5.621 0.121 8 0 "[ . 1 . 2]" 1
459 1 43 ARG QD 1 44 LEU H . . 4.590 4.301 3.052 4.748 0.158 11 0 "[ . 1 . 2]" 1
460 1 43 ARG QD 1 50 GLN HB2 . . 5.500 4.486 2.958 5.601 0.101 3 0 "[ . 1 . 2]" 1
461 1 43 ARG QD 1 50 GLN HB3 . . 5.500 3.449 1.840 5.317 . 0 0 "[ . 1 . 2]" 1
462 1 43 ARG QD 1 50 GLN QG . . 5.500 4.321 2.788 5.518 0.018 9 0 "[ . 1 . 2]" 1
463 1 44 LEU H 1 44 LEU HB2 . . 3.670 2.309 1.987 2.466 . 0 0 "[ . 1 . 2]" 1
464 1 44 LEU H 1 44 LEU HB3 . . 3.970 3.438 2.499 3.660 . 0 0 "[ . 1 . 2]" 1
465 1 44 LEU H 1 44 LEU MD1 . . 4.020 3.590 2.208 4.134 0.114 19 0 "[ . 1 . 2]" 1
466 1 44 LEU H 1 44 LEU QD . . 3.520 2.989 2.197 3.617 0.097 16 0 "[ . 1 . 2]" 1
467 1 44 LEU H 1 44 LEU MD2 . . 4.020 3.464 2.545 4.114 0.094 16 0 "[ . 1 . 2]" 1
468 1 44 LEU H 1 44 LEU HG . . 5.500 3.200 2.362 4.351 . 0 0 "[ . 1 . 2]" 1
469 1 44 LEU H 1 50 GLN HA . . 4.550 2.501 2.055 3.194 . 0 0 "[ . 1 . 2]" 1
470 1 44 LEU H 1 51 VAL H . . 4.520 3.879 3.252 4.282 . 0 0 "[ . 1 . 2]" 1
471 1 44 LEU HA 1 44 LEU QD . . 4.250 2.130 1.917 2.834 . 0 0 "[ . 1 . 2]" 1
472 1 44 LEU HA 1 45 LYS H . . 3.380 2.202 2.040 2.343 . 0 0 "[ . 1 . 2]" 1
473 1 44 LEU HB2 1 45 LYS H . . 5.500 3.961 3.703 4.604 . 0 0 "[ . 1 . 2]" 1
474 1 44 LEU HB2 1 49 ARG H . . 3.080 3.002 2.518 3.225 0.145 16 0 "[ . 1 . 2]" 1
475 1 44 LEU HB3 1 45 LYS H . . 4.120 2.907 2.439 3.835 . 0 0 "[ . 1 . 2]" 1
476 1 44 LEU HB3 1 49 ARG H . . 4.090 4.053 3.181 4.257 0.167 6 0 "[ . 1 . 2]" 1
477 1 44 LEU QD 1 45 LYS H . . 3.490 3.099 1.873 3.727 0.237 18 0 "[ . 1 . 2]" 1
478 1 44 LEU QD 1 48 ASN QB . . 5.280 2.891 1.926 4.526 . 0 0 "[ . 1 . 2]" 1
479 1 44 LEU QD 1 49 ARG H . . 4.050 3.035 2.472 3.719 . 0 0 "[ . 1 . 2]" 1
480 1 44 LEU QD 1 49 ARG HA . . 5.440 4.836 4.092 5.364 . 0 0 "[ . 1 . 2]" 1
481 1 44 LEU QD 1 49 ARG QB . . 5.380 4.808 3.999 5.383 0.003 19 0 "[ . 1 . 2]" 1
482 1 44 LEU QD 1 49 ARG QD . . 4.720 3.392 2.545 4.125 . 0 0 "[ . 1 . 2]" 1
483 1 44 LEU QD 1 50 GLN HA . . 5.440 3.650 2.489 4.397 . 0 0 "[ . 1 . 2]" 1
484 1 44 LEU QD 1 51 VAL H . . 5.440 3.581 2.341 4.575 . 0 0 "[ . 1 . 2]" 1
485 1 44 LEU QD 1 51 VAL HB . . 5.310 4.160 3.696 5.005 . 0 0 "[ . 1 . 2]" 1
486 1 44 LEU MD1 1 45 LYS H . . 4.180 4.102 2.205 4.398 0.218 15 0 "[ . 1 . 2]" 1
487 1 44 LEU MD2 1 45 LYS H . . 4.180 3.400 1.875 4.230 0.050 12 0 "[ . 1 . 2]" 1
488 1 44 LEU HG 1 49 ARG H . . 5.500 4.470 3.186 5.579 0.079 12 0 "[ . 1 . 2]" 1
489 1 44 LEU HG 1 51 VAL MG1 . . 4.660 3.326 2.276 4.687 0.027 19 0 "[ . 1 . 2]" 1
490 1 44 LEU HG 1 51 VAL MG2 . . 5.060 3.171 2.131 5.110 0.050 19 0 "[ . 1 . 2]" 1
491 1 45 LYS H 1 45 LYS QB . . 3.450 2.326 2.226 2.400 . 0 0 "[ . 1 . 2]" 1
492 1 45 LYS H 1 45 LYS HD3 . . 3.380 3.490 3.437 3.565 0.185 6 0 "[ . 1 . 2]" 1
493 1 45 LYS H 1 45 LYS QE . . 4.560 4.520 4.369 4.707 0.147 20 0 "[ . 1 . 2]" 1
494 1 45 LYS H 1 45 LYS HG2 . . 5.500 3.663 3.216 3.829 . 0 0 "[ . 1 . 2]" 1
495 1 45 LYS H 1 45 LYS HG3 . . 3.840 2.302 1.846 2.476 . 0 0 "[ . 1 . 2]" 1
496 1 45 LYS HA 1 45 LYS HD2 . . 5.500 4.719 4.610 4.868 . 0 0 "[ . 1 . 2]" 1
497 1 45 LYS HA 1 45 LYS HD3 . . 5.500 4.432 4.324 4.549 . 0 0 "[ . 1 . 2]" 1
498 1 45 LYS HA 1 45 LYS QE . . 5.500 4.176 3.999 4.379 . 0 0 "[ . 1 . 2]" 1
499 1 48 ASN HA 1 48 ASN HD21 . . 4.550 3.859 2.799 4.439 . 0 0 "[ . 1 . 2]" 1
500 1 48 ASN HA 1 48 ASN HD22 . . 4.550 4.342 3.800 4.614 0.064 15 0 "[ . 1 . 2]" 1
501 1 48 ASN QB 1 49 ARG H . . 3.630 2.224 1.701 2.799 . 0 0 "[ . 1 . 2]" 1
502 1 48 ASN HB2 1 48 ASN HD22 . . 3.980 3.628 3.438 4.015 0.035 20 0 "[ . 1 . 2]" 1
503 1 48 ASN HB2 1 49 ARG H . . 4.140 3.036 1.917 3.948 . 0 0 "[ . 1 . 2]" 1
504 1 48 ASN HB3 1 48 ASN HD22 . . 3.980 3.705 3.451 4.014 0.034 4 0 "[ . 1 . 2]" 1
505 1 48 ASN HB3 1 49 ARG H . . 4.140 2.524 1.716 3.529 . 0 0 "[ . 1 . 2]" 1
506 1 49 ARG H 1 49 ARG HD2 . . 4.290 3.405 2.759 4.263 . 0 0 "[ . 1 . 2]" 1
507 1 49 ARG H 1 49 ARG QD . . 3.730 2.592 1.805 3.812 0.082 3 0 "[ . 1 . 2]" 1
508 1 49 ARG H 1 49 ARG HD3 . . 4.290 2.979 1.829 4.450 0.160 6 0 "[ . 1 . 2]" 1
509 1 49 ARG H 1 49 ARG QG . . 3.320 2.925 1.925 3.470 0.150 9 0 "[ . 1 . 2]" 1
510 1 49 ARG H 1 50 GLN H . . 4.210 4.065 2.515 4.252 0.042 10 0 "[ . 1 . 2]" 1
511 1 49 ARG HA 1 49 ARG HD2 . . 5.500 4.491 3.882 5.217 . 0 0 "[ . 1 . 2]" 1
512 1 49 ARG HA 1 49 ARG QD . . 4.700 3.799 3.573 4.532 . 0 0 "[ . 1 . 2]" 1
513 1 49 ARG HA 1 49 ARG HD3 . . 5.500 4.212 3.826 5.496 . 0 0 "[ . 1 . 2]" 1
514 1 49 ARG HA 1 50 GLN H . . 3.020 2.831 2.597 3.277 0.257 9 0 "[ . 1 . 2]" 1
515 1 49 ARG QB 1 50 GLN H . . 3.450 1.862 1.617 2.777 . 0 0 "[ . 1 . 2]" 1
516 1 49 ARG HD2 1 50 GLN H . . 4.570 4.232 3.058 4.778 0.208 17 0 "[ . 1 . 2]" 1
517 1 49 ARG HD3 1 50 GLN H . . 4.570 3.536 2.362 4.654 0.084 3 0 "[ . 1 . 2]" 1
518 1 49 ARG HG2 1 50 GLN H . . 3.890 3.088 1.519 3.998 0.108 10 0 "[ . 1 . 2]" 1
519 1 49 ARG HG3 1 50 GLN H . . 3.890 3.524 2.724 4.091 0.201 5 0 "[ . 1 . 2]" 1
520 1 50 GLN H 1 50 GLN QB . . 3.300 2.890 2.376 3.243 . 0 0 "[ . 1 . 2]" 1
521 1 50 GLN H 1 50 GLN QG . . 4.030 2.370 1.899 3.961 . 0 0 "[ . 1 . 2]" 1
522 1 50 GLN HA 1 51 VAL H . . 3.340 2.208 2.038 2.386 . 0 0 "[ . 1 . 2]" 1
523 1 50 GLN QB 1 51 VAL H . . 3.560 2.865 2.501 3.581 0.021 10 0 "[ . 1 . 2]" 1
524 1 50 GLN HB2 1 51 VAL H . . 4.090 3.043 2.542 4.036 . 0 0 "[ . 1 . 2]" 1
525 1 50 GLN HB3 1 51 VAL H . . 4.090 3.847 2.708 4.134 0.044 10 0 "[ . 1 . 2]" 1
526 1 50 GLN QG 1 51 VAL H . . 4.940 4.068 2.565 4.683 . 0 0 "[ . 1 . 2]" 1
527 1 51 VAL H 1 51 VAL MG1 . . 3.680 2.966 2.680 3.312 . 0 0 "[ . 1 . 2]" 1
528 1 51 VAL H 1 51 VAL MG2 . . 3.330 2.337 2.117 2.588 . 0 0 "[ . 1 . 2]" 1
529 1 51 VAL HB 1 52 CYS H . . 3.780 2.603 2.401 2.919 . 0 0 "[ . 1 . 2]" 1
530 1 51 VAL MG1 1 52 CYS H . . 4.230 3.739 3.596 3.910 . 0 0 "[ . 1 . 2]" 1
531 1 51 VAL MG2 1 52 CYS H . . 3.640 3.521 3.086 3.760 0.120 16 0 "[ . 1 . 2]" 1
532 1 51 VAL MG2 2 23 TYS HB2 . . 5.500 5.578 5.490 5.672 0.172 19 0 "[ . 1 . 2]" 1
533 1 51 VAL MG2 2 23 TYS HB3 . . 5.500 4.917 4.511 5.445 . 0 0 "[ . 1 . 2]" 1
534 1 52 CYS H 1 52 CYS HB2 . . 3.990 2.437 2.366 2.658 . 0 0 "[ . 1 . 2]" 1
535 1 52 CYS H 1 52 CYS HB3 . . 4.020 3.604 3.528 3.675 . 0 0 "[ . 1 . 2]" 1
536 1 52 CYS HA 1 53 ILE H . . 3.510 2.209 2.097 2.291 . 0 0 "[ . 1 . 2]" 1
537 1 52 CYS HB2 1 53 ILE H . . 4.650 4.076 3.895 4.224 . 0 0 "[ . 1 . 2]" 1
538 1 52 CYS HB3 1 53 ILE H . . 4.170 3.130 2.802 3.326 . 0 0 "[ . 1 . 2]" 1
539 1 53 ILE H 1 53 ILE HB . . 4.010 2.666 2.461 2.885 . 0 0 "[ . 1 . 2]" 1
540 1 53 ILE H 1 53 ILE MD . . 3.250 3.294 3.255 3.360 0.110 5 0 "[ . 1 . 2]" 1
541 1 53 ILE H 1 53 ILE QG . . 4.130 2.374 2.227 2.553 . 0 0 "[ . 1 . 2]" 1
542 1 53 ILE HA 1 54 ASP H . . 3.550 2.245 2.125 2.399 . 0 0 "[ . 1 . 2]" 1
543 1 53 ILE HA 1 57 LEU MD1 . . 5.500 3.389 3.132 3.759 . 0 0 "[ . 1 . 2]" 1
544 1 53 ILE HB 1 54 ASP H . . 4.150 3.834 3.614 4.018 . 0 0 "[ . 1 . 2]" 1
545 1 53 ILE HB 1 60 ILE QG . . 5.340 3.479 3.121 3.735 . 0 0 "[ . 1 . 2]" 1
546 1 53 ILE MD 1 53 ILE MG . . 2.560 1.947 1.861 2.081 . 0 0 "[ . 1 . 2]" 1
547 1 53 ILE MD 1 54 ASP H . . 5.500 3.954 3.658 4.134 . 0 0 "[ . 1 . 2]" 1
548 1 53 ILE MD 1 59 TRP HH2 . . 5.500 2.909 2.619 3.520 . 0 0 "[ . 1 . 2]" 1
549 1 53 ILE MD 1 59 TRP HZ2 . . 5.090 2.556 1.960 3.159 . 0 0 "[ . 1 . 2]" 1
550 1 53 ILE MD 1 60 ILE QG . . 5.340 4.586 4.278 4.836 . 0 0 "[ . 1 . 2]" 1
551 1 53 ILE QG 1 60 ILE QG . . 5.180 4.276 4.073 4.541 . 0 0 "[ . 1 . 2]" 1
552 1 53 ILE HG12 1 54 ASP H . . 5.500 5.163 5.008 5.257 . 0 0 "[ . 1 . 2]" 1
553 1 53 ILE HG13 1 54 ASP H . . 5.500 5.331 5.092 5.493 . 0 0 "[ . 1 . 2]" 1
554 1 53 ILE MG 1 54 ASP H . . 3.640 2.351 2.136 2.538 . 0 0 "[ . 1 . 2]" 1
555 1 53 ILE MG 1 55 PRO HA . . 5.500 4.254 3.792 4.677 . 0 0 "[ . 1 . 2]" 1
556 1 53 ILE MG 1 59 TRP HZ2 . . 5.500 2.576 2.212 3.191 . 0 0 "[ . 1 . 2]" 1
557 1 53 ILE MG 1 60 ILE QG . . 4.090 2.205 1.911 2.443 . 0 0 "[ . 1 . 2]" 1
558 1 54 ASP H 1 54 ASP HB2 . . 3.650 2.472 2.278 2.691 . 0 0 "[ . 1 . 2]" 1
559 1 54 ASP H 1 54 ASP HB3 . . 3.650 2.506 2.372 2.629 . 0 0 "[ . 1 . 2]" 1
560 1 54 ASP H 1 57 LEU H . . 4.400 4.466 4.406 4.521 0.121 6 0 "[ . 1 . 2]" 1
561 1 54 ASP H 1 57 LEU MD1 . . 3.850 2.471 2.217 3.158 . 0 0 "[ . 1 . 2]" 1
562 1 54 ASP H 1 57 LEU HG . . 4.460 3.589 3.125 3.938 . 0 0 "[ . 1 . 2]" 1
563 1 54 ASP HA 1 56 LYS H . . 5.500 3.591 3.488 3.707 . 0 0 "[ . 1 . 2]" 1
564 1 54 ASP QB 1 57 LEU HG . . 4.820 2.141 1.869 2.733 . 0 0 "[ . 1 . 2]" 1
565 1 54 ASP HB2 1 57 LEU H . . 4.310 4.350 4.235 4.401 0.091 19 0 "[ . 1 . 2]" 1
566 1 54 ASP HB2 1 57 LEU MD1 . . 5.500 3.765 3.128 4.618 . 0 0 "[ . 1 . 2]" 1
567 1 54 ASP HB2 1 57 LEU MD2 . . 5.500 4.838 4.283 5.309 . 0 0 "[ . 1 . 2]" 1
568 1 54 ASP HB2 1 57 LEU HG . . 5.500 3.441 2.985 4.039 . 0 0 "[ . 1 . 2]" 1
569 1 54 ASP HB3 1 57 LEU H . . 4.310 2.731 2.608 2.880 . 0 0 "[ . 1 . 2]" 1
570 1 54 ASP HB3 1 57 LEU MD1 . . 5.500 2.933 2.446 3.591 . 0 0 "[ . 1 . 2]" 1
571 1 54 ASP HB3 1 57 LEU MD2 . . 5.500 3.855 3.516 4.349 . 0 0 "[ . 1 . 2]" 1
572 1 54 ASP HB3 1 57 LEU HG . . 5.500 2.164 1.888 2.789 . 0 0 "[ . 1 . 2]" 1
573 1 55 PRO HA 1 56 LYS H . . 3.400 3.336 3.192 3.420 0.020 17 0 "[ . 1 . 2]" 1
574 1 55 PRO HA 1 57 LEU H . . 5.500 3.871 3.761 4.039 . 0 0 "[ . 1 . 2]" 1
575 1 55 PRO HA 1 60 ILE HB . . 5.500 3.856 3.598 4.385 . 0 0 "[ . 1 . 2]" 1
576 1 55 PRO HA 1 60 ILE MD . . 4.940 3.870 3.544 4.223 . 0 0 "[ . 1 . 2]" 1
577 1 55 PRO HA 1 60 ILE QG . . 5.340 3.160 2.865 3.544 . 0 0 "[ . 1 . 2]" 1
578 1 55 PRO HA 1 60 ILE MG . . 5.300 2.021 1.807 2.499 . 0 0 "[ . 1 . 2]" 1
579 1 55 PRO HB2 1 60 ILE MG . . 5.500 3.864 3.577 4.250 . 0 0 "[ . 1 . 2]" 1
580 1 55 PRO HB3 1 56 LYS H . . 4.290 4.349 4.309 4.411 0.121 11 0 "[ . 1 . 2]" 1
581 1 55 PRO HB3 1 60 ILE MG . . 5.420 3.721 3.458 4.176 . 0 0 "[ . 1 . 2]" 1
582 1 55 PRO QD 1 56 LYS H . . 4.120 2.821 2.731 2.927 . 0 0 "[ . 1 . 2]" 1
583 1 55 PRO HG2 1 56 LYS H . . 3.440 3.216 2.920 3.447 0.007 11 0 "[ . 1 . 2]" 1
584 1 55 PRO HG3 1 56 LYS H . . 5.500 4.456 4.274 4.623 . 0 0 "[ . 1 . 2]" 1
585 1 56 LYS H 1 56 LYS QB . . 3.040 2.488 2.303 3.103 0.063 4 0 "[ . 1 . 2]" 1
586 1 56 LYS H 1 56 LYS QD . . 5.400 4.073 3.132 4.485 . 0 0 "[ . 1 . 2]" 1
587 1 56 LYS H 1 56 LYS QE . . 4.420 3.759 2.731 4.425 0.005 7 0 "[ . 1 . 2]" 1
588 1 56 LYS H 1 56 LYS HG2 . . 3.450 3.142 2.019 3.607 0.157 18 0 "[ . 1 . 2]" 1
589 1 56 LYS H 1 56 LYS HG3 . . 3.450 2.651 2.218 3.639 0.189 11 0 "[ . 1 . 2]" 1
590 1 56 LYS H 1 57 LEU H . . 3.320 2.350 2.069 2.574 . 0 0 "[ . 1 . 2]" 1
591 1 56 LYS H 1 60 ILE HB . . 5.500 4.636 4.315 4.919 . 0 0 "[ . 1 . 2]" 1
592 1 56 LYS H 1 60 ILE MG . . 5.500 4.209 3.889 4.533 . 0 0 "[ . 1 . 2]" 1
593 1 56 LYS HA 1 56 LYS QE . . 5.500 4.390 2.735 5.403 . 0 0 "[ . 1 . 2]" 1
594 1 56 LYS HA 1 61 GLN HE21 . . 4.450 2.608 2.075 3.280 . 0 0 "[ . 1 . 2]" 1
595 1 56 LYS HA 1 61 GLN HE22 . . 3.620 2.237 1.937 2.630 . 0 0 "[ . 1 . 2]" 1
596 1 56 LYS HA 1 61 GLN QG . . 5.500 3.553 3.238 3.897 . 0 0 "[ . 1 . 2]" 1
597 1 56 LYS QB 1 56 LYS QE . . 3.630 2.401 1.871 3.646 0.016 20 0 "[ . 1 . 2]" 1
598 1 56 LYS HB2 1 56 LYS QD . . 3.880 2.962 2.502 3.539 . 0 0 "[ . 1 . 2]" 1
599 1 56 LYS HB2 1 56 LYS QE . . 4.310 2.670 1.926 4.314 0.004 20 0 "[ . 1 . 2]" 1
600 1 56 LYS HB3 1 56 LYS QD . . 3.880 2.556 2.328 3.000 . 0 0 "[ . 1 . 2]" 1
601 1 56 LYS HB3 1 56 LYS QE . . 4.310 3.159 1.900 3.986 . 0 0 "[ . 1 . 2]" 1
602 1 57 LEU H 1 57 LEU HB2 . . 3.500 1.822 1.768 1.853 . 0 0 "[ . 1 . 2]" 1
603 1 57 LEU H 1 57 LEU HB3 . . 2.960 3.075 2.993 3.175 0.215 1 0 "[ . 1 . 2]" 1
604 1 57 LEU H 1 57 LEU MD1 . . 5.270 3.783 3.600 3.923 . 0 0 "[ . 1 . 2]" 1
605 1 57 LEU H 1 57 LEU HG . . 3.130 3.262 3.149 3.379 0.249 9 0 "[ . 1 . 2]" 1
606 1 57 LEU H 1 60 ILE HB . . 3.580 3.085 2.756 3.311 . 0 0 "[ . 1 . 2]" 1
607 1 57 LEU H 1 60 ILE MD . . 5.500 4.935 4.726 5.218 . 0 0 "[ . 1 . 2]" 1
608 1 57 LEU H 1 60 ILE QG . . 3.740 3.317 3.076 3.625 . 0 0 "[ . 1 . 2]" 1
609 1 57 LEU H 1 60 ILE MG . . 4.410 3.797 3.468 4.020 . 0 0 "[ . 1 . 2]" 1
610 1 57 LEU HA 1 57 LEU MD2 . . 4.550 2.008 1.893 2.167 . 0 0 "[ . 1 . 2]" 1
611 1 57 LEU HA 1 60 ILE H . . 4.670 4.640 4.547 4.700 0.030 12 0 "[ . 1 . 2]" 1
612 1 57 LEU HA 1 60 ILE QG . . 5.340 4.619 4.385 4.843 . 0 0 "[ . 1 . 2]" 1
613 1 57 LEU HB2 1 60 ILE H . . 4.390 3.831 3.601 4.110 . 0 0 "[ . 1 . 2]" 1
614 1 57 LEU HB2 1 60 ILE HB . . 5.500 3.127 2.839 3.372 . 0 0 "[ . 1 . 2]" 1
615 1 57 LEU HB2 1 60 ILE HG12 . . 5.500 2.927 2.551 3.148 . 0 0 "[ . 1 . 2]" 1
616 1 57 LEU HB2 1 60 ILE HG13 . . 5.500 2.774 2.527 2.978 . 0 0 "[ . 1 . 2]" 1
617 1 57 LEU HB3 1 58 LYS H . . 4.410 3.219 2.938 3.512 . 0 0 "[ . 1 . 2]" 1
618 1 57 LEU HB3 1 60 ILE H . . 4.020 2.531 2.291 2.731 . 0 0 "[ . 1 . 2]" 1
619 1 57 LEU HB3 1 60 ILE HB . . 5.500 3.042 2.629 3.416 . 0 0 "[ . 1 . 2]" 1
620 1 57 LEU HB3 1 60 ILE MD . . 5.500 4.086 3.894 4.319 . 0 0 "[ . 1 . 2]" 1
621 1 57 LEU HB3 1 60 ILE HG12 . . 5.500 2.442 2.223 2.690 . 0 0 "[ . 1 . 2]" 1
622 1 57 LEU HB3 1 60 ILE HG13 . . 5.500 3.309 3.030 3.656 . 0 0 "[ . 1 . 2]" 1
623 1 57 LEU MD1 1 59 TRP HD1 . . 5.500 3.637 3.376 4.134 . 0 0 "[ . 1 . 2]" 1
624 1 57 LEU MD1 1 59 TRP HE1 . . 3.580 2.244 1.890 2.826 . 0 0 "[ . 1 . 2]" 1
625 1 57 LEU MD1 1 59 TRP HZ2 . . 4.350 2.947 2.539 3.304 . 0 0 "[ . 1 . 2]" 1
626 1 57 LEU MD1 1 60 ILE H . . 5.500 4.025 3.554 4.371 . 0 0 "[ . 1 . 2]" 1
627 1 57 LEU MD1 1 60 ILE HG12 . . 5.500 3.065 2.538 3.431 . 0 0 "[ . 1 . 2]" 1
628 1 57 LEU MD1 1 60 ILE QG . . 4.650 2.877 2.439 3.173 . 0 0 "[ . 1 . 2]" 1
629 1 57 LEU MD1 1 60 ILE HG13 . . 5.500 3.495 3.159 3.759 . 0 0 "[ . 1 . 2]" 1
630 1 57 LEU MD2 1 58 LYS H . . 5.500 2.017 1.769 2.363 . 0 0 "[ . 1 . 2]" 1
631 1 57 LEU MD2 1 59 TRP HD1 . . 3.690 2.893 2.378 3.411 . 0 0 "[ . 1 . 2]" 1
632 1 57 LEU MD2 1 59 TRP HE1 . . 3.580 2.985 2.356 3.470 . 0 0 "[ . 1 . 2]" 1
633 1 57 LEU MD2 1 59 TRP HZ2 . . 5.500 4.864 4.391 5.388 . 0 0 "[ . 1 . 2]" 1
634 1 57 LEU MD2 1 60 ILE H . . 5.500 4.002 3.409 4.477 . 0 0 "[ . 1 . 2]" 1
635 1 57 LEU MD2 1 60 ILE HG12 . . 5.500 4.313 3.947 4.584 . 0 0 "[ . 1 . 2]" 1
636 1 57 LEU MD2 1 60 ILE QG . . 4.790 4.091 3.780 4.294 . 0 0 "[ . 1 . 2]" 1
637 1 57 LEU MD2 1 60 ILE HG13 . . 5.500 5.091 4.835 5.301 . 0 0 "[ . 1 . 2]" 1
638 1 57 LEU HG 1 60 ILE HB . . 5.500 5.316 5.084 5.475 . 0 0 "[ . 1 . 2]" 1
639 1 57 LEU HG 1 60 ILE QG . . 5.340 4.381 4.204 4.541 . 0 0 "[ . 1 . 2]" 1
640 1 58 LYS HA 1 58 LYS HD2 . . 5.260 4.558 3.428 4.939 . 0 0 "[ . 1 . 2]" 1
641 1 58 LYS HA 1 58 LYS HD3 . . 5.260 4.334 2.132 4.939 . 0 0 "[ . 1 . 2]" 1
642 1 58 LYS HA 1 58 LYS QE . . 5.500 4.099 2.599 4.470 . 0 0 "[ . 1 . 2]" 1
643 1 58 LYS HA 1 61 GLN H . . 4.120 3.687 3.424 4.060 . 0 0 "[ . 1 . 2]" 1
644 1 58 LYS HA 1 61 GLN QG . . 5.500 2.586 2.181 3.053 . 0 0 "[ . 1 . 2]" 1
645 1 58 LYS HA 1 62 GLU H . . 4.440 4.268 3.779 4.499 0.059 13 0 "[ . 1 . 2]" 1
646 1 58 LYS QB 1 59 TRP H . . 3.570 2.291 2.052 2.858 . 0 0 "[ . 1 . 2]" 1
647 1 58 LYS QD 1 59 TRP H . . 4.380 4.231 3.327 4.495 0.115 2 0 "[ . 1 . 2]" 1
648 1 58 LYS QD 1 62 GLU HG2 . . 5.340 4.920 3.092 5.455 0.115 3 0 "[ . 1 . 2]" 1
649 1 58 LYS QG 1 59 TRP H . . 4.660 3.232 2.898 4.313 . 0 0 "[ . 1 . 2]" 1
650 1 58 LYS QG 1 62 GLU HG2 . . 5.340 3.998 3.032 5.173 . 0 0 "[ . 1 . 2]" 1
651 1 58 LYS HG2 1 62 GLU HG3 . . 5.500 4.348 3.581 5.565 0.065 6 0 "[ . 1 . 2]" 1
652 1 58 LYS HG3 1 62 GLU HG3 . . 5.500 5.156 3.687 5.627 0.127 10 0 "[ . 1 . 2]" 1
653 1 59 TRP H 1 59 TRP HB2 . . 3.840 3.649 3.606 3.693 . 0 0 "[ . 1 . 2]" 1
654 1 59 TRP H 1 59 TRP HB3 . . 3.800 2.807 2.709 2.908 . 0 0 "[ . 1 . 2]" 1
655 1 59 TRP H 1 59 TRP HE1 . . 4.180 4.260 4.203 4.388 0.208 10 0 "[ . 1 . 2]" 1
656 1 59 TRP H 1 60 ILE H . . 3.900 2.643 2.537 2.806 . 0 0 "[ . 1 . 2]" 1
657 1 59 TRP HA 1 62 GLU H . . 5.110 3.274 3.034 3.554 . 0 0 "[ . 1 . 2]" 1
658 1 59 TRP HA 1 62 GLU HB2 . . 5.500 3.434 2.292 5.169 . 0 0 "[ . 1 . 2]" 1
659 1 59 TRP HA 1 62 GLU HB3 . . 5.500 3.479 2.144 4.487 . 0 0 "[ . 1 . 2]" 1
660 1 59 TRP HA 1 62 GLU HG2 . . 5.500 3.489 2.408 4.663 . 0 0 "[ . 1 . 2]" 1
661 1 59 TRP HA 1 62 GLU HG3 . . 5.500 2.803 1.906 3.784 . 0 0 "[ . 1 . 2]" 1
662 1 59 TRP HA 1 63 TYR H . . 5.130 3.886 3.711 4.088 . 0 0 "[ . 1 . 2]" 1
663 1 59 TRP HB3 1 59 TRP HE1 . . 5.190 4.755 4.694 4.790 . 0 0 "[ . 1 . 2]" 1
664 1 59 TRP HE3 1 60 ILE MD . . 5.500 2.935 2.786 3.146 . 0 0 "[ . 1 . 2]" 1
665 1 59 TRP HZ2 1 60 ILE QG . . 4.810 4.297 3.917 4.692 . 0 0 "[ . 1 . 2]" 1
666 1 60 ILE H 1 60 ILE HB . . 3.540 2.465 2.402 2.531 . 0 0 "[ . 1 . 2]" 1
667 1 60 ILE H 1 60 ILE MD . . 5.500 3.450 3.194 3.586 . 0 0 "[ . 1 . 2]" 1
668 1 60 ILE H 1 60 ILE HG12 . . 4.100 2.356 2.186 2.458 . 0 0 "[ . 1 . 2]" 1
669 1 60 ILE H 1 60 ILE QG . . 3.370 2.332 2.170 2.428 . 0 0 "[ . 1 . 2]" 1
670 1 60 ILE H 1 60 ILE HG13 . . 4.100 3.729 3.649 3.812 . 0 0 "[ . 1 . 2]" 1
671 1 60 ILE H 1 60 ILE MG . . 3.890 3.759 3.724 3.781 . 0 0 "[ . 1 . 2]" 1
672 1 60 ILE H 1 61 GLN H . . 3.490 2.587 2.508 2.657 . 0 0 "[ . 1 . 2]" 1
673 1 60 ILE H 1 62 GLU H . . 4.680 4.155 3.974 4.293 . 0 0 "[ . 1 . 2]" 1
674 1 60 ILE HA 1 63 TYR QD . . 5.500 4.251 3.814 4.447 . 0 0 "[ . 1 . 2]" 1
675 1 60 ILE HB 1 61 GLN H . . 3.730 2.497 2.335 2.625 . 0 0 "[ . 1 . 2]" 1
676 1 60 ILE HB 1 64 LEU MD1 . . 5.480 4.265 4.111 4.378 . 0 0 "[ . 1 . 2]" 1
677 1 60 ILE MD 1 64 LEU H . . 5.500 4.894 4.369 5.160 . 0 0 "[ . 1 . 2]" 1
678 1 60 ILE QG 1 61 GLN H . . 4.180 4.012 3.877 4.101 . 0 0 "[ . 1 . 2]" 1
679 1 60 ILE MG 1 61 GLN H . . 3.850 3.216 3.020 3.384 . 0 0 "[ . 1 . 2]" 1
680 1 60 ILE MG 1 61 GLN QG . . 5.500 4.118 3.883 4.295 . 0 0 "[ . 1 . 2]" 1
681 1 60 ILE MG 1 63 TYR H . . 4.700 4.511 4.342 4.695 . 0 0 "[ . 1 . 2]" 1
682 1 60 ILE MG 1 64 LEU H . . 5.500 3.629 3.408 3.775 . 0 0 "[ . 1 . 2]" 1
683 1 61 GLN H 1 61 GLN QB . . 3.290 2.649 2.592 2.758 . 0 0 "[ . 1 . 2]" 1
684 1 61 GLN H 1 61 GLN HE21 . . 5.070 3.166 2.738 4.664 . 0 0 "[ . 1 . 2]" 1
685 1 61 GLN H 1 61 GLN HE22 . . 4.350 4.422 4.385 4.490 0.140 7 0 "[ . 1 . 2]" 1
686 1 61 GLN H 1 61 GLN QG . . 3.330 1.978 1.822 2.083 . 0 0 "[ . 1 . 2]" 1
687 1 61 GLN H 1 62 GLU H . . 3.630 2.895 2.785 2.970 . 0 0 "[ . 1 . 2]" 1
688 1 61 GLN HA 1 61 GLN HE22 . . 5.500 3.353 3.181 3.780 . 0 0 "[ . 1 . 2]" 1
689 1 61 GLN HA 1 64 LEU H . . 4.400 3.882 3.458 4.243 . 0 0 "[ . 1 . 2]" 1
690 1 61 GLN HA 1 64 LEU MD1 . . 5.450 2.797 2.294 3.277 . 0 0 "[ . 1 . 2]" 1
691 1 61 GLN HA 1 65 GLU H . . 4.240 3.963 3.663 4.175 . 0 0 "[ . 1 . 2]" 1
692 1 61 GLN HA 3 68 LEU QD . . 4.870 2.035 1.851 2.829 . 0 0 "[ . 1 . 2]" 1
693 1 61 GLN QB 1 61 GLN HE22 . . 3.820 3.909 3.845 3.961 0.141 16 0 "[ . 1 . 2]" 1
694 1 61 GLN QB 3 68 LEU QD . . 4.700 2.404 1.912 2.867 . 0 0 "[ . 1 . 2]" 1
695 1 61 GLN HB2 1 62 GLU H . . 5.500 2.296 1.980 2.577 . 0 0 "[ . 1 . 2]" 1
696 1 61 GLN HB3 1 62 GLU H . . 5.500 3.519 3.306 3.798 . 0 0 "[ . 1 . 2]" 1
697 1 61 GLN HE21 1 64 LEU MD1 . . 4.150 3.435 2.698 4.225 0.075 4 0 "[ . 1 . 2]" 1
698 1 61 GLN HE21 3 68 LEU HA . . 3.900 3.320 2.671 3.915 0.015 17 0 "[ . 1 . 2]" 1
699 1 61 GLN HE21 3 68 LEU QD . . 4.130 2.545 1.675 3.487 . 0 0 "[ . 1 . 2]" 1
700 1 61 GLN HE22 1 61 GLN QG . . 3.470 3.258 3.238 3.424 . 0 0 "[ . 1 . 2]" 1
701 1 61 GLN HE22 1 64 LEU MD1 . . 3.580 3.429 2.827 3.651 0.071 15 0 "[ . 1 . 2]" 1
702 1 61 GLN HE22 3 68 LEU HB2 . . 5.500 4.569 4.044 4.813 . 0 0 "[ . 1 . 2]" 1
703 1 61 GLN HE22 3 68 LEU HB3 . . 5.500 4.722 4.243 5.145 . 0 0 "[ . 1 . 2]" 1
704 1 61 GLN HE22 3 68 LEU MD1 . . 5.500 2.792 2.214 4.011 . 0 0 "[ . 1 . 2]" 1
705 1 61 GLN HE22 3 68 LEU QD . . 3.750 2.236 1.932 2.741 . 0 0 "[ . 1 . 2]" 1
706 1 61 GLN HE22 3 68 LEU MD2 . . 5.500 2.404 2.012 2.865 . 0 0 "[ . 1 . 2]" 1
707 1 61 GLN HE22 3 68 LEU HG . . 5.500 4.778 2.374 5.512 0.012 11 0 "[ . 1 . 2]" 1
708 1 61 GLN QG 1 62 GLU H . . 5.500 3.737 3.471 3.905 . 0 0 "[ . 1 . 2]" 1
709 1 61 GLN QG 3 68 LEU QD . . 5.440 3.271 2.823 3.706 . 0 0 "[ . 1 . 2]" 1
710 1 62 GLU H 1 62 GLU HB2 . . 3.510 2.630 1.844 3.586 0.076 1 0 "[ . 1 . 2]" 1
711 1 62 GLU H 1 62 GLU HB3 . . 3.150 2.713 2.414 3.378 0.228 8 0 "[ . 1 . 2]" 1
712 1 62 GLU H 1 62 GLU HG2 . . 3.510 3.242 2.127 3.759 0.249 11 0 "[ . 1 . 2]" 1
713 1 62 GLU H 1 62 GLU HG3 . . 5.330 3.200 2.099 4.153 . 0 0 "[ . 1 . 2]" 1
714 1 62 GLU H 1 63 TYR H . . 3.530 2.612 2.389 2.775 . 0 0 "[ . 1 . 2]" 1
715 1 62 GLU HA 1 65 GLU H . . 4.190 3.815 3.184 4.242 0.052 3 0 "[ . 1 . 2]" 1
716 1 62 GLU HA 1 65 GLU HB2 . . 5.420 2.826 1.954 3.697 . 0 0 "[ . 1 . 2]" 1
717 1 62 GLU HA 1 65 GLU HB3 . . 5.270 4.004 2.478 4.835 . 0 0 "[ . 1 . 2]" 1
718 1 62 GLU HB2 1 63 TYR H . . 3.930 3.444 2.317 3.977 0.047 1 0 "[ . 1 . 2]" 1
719 1 62 GLU HB3 1 63 TYR H . . 3.880 3.248 2.252 3.990 0.110 20 0 "[ . 1 . 2]" 1
720 1 62 GLU HG2 1 63 TYR H . . 5.500 4.403 3.995 4.761 . 0 0 "[ . 1 . 2]" 1
721 1 62 GLU HG3 1 63 TYR H . . 5.500 3.889 2.302 4.963 . 0 0 "[ . 1 . 2]" 1
722 1 63 TYR H 1 63 TYR HB2 . . 3.400 2.372 2.245 2.542 . 0 0 "[ . 1 . 2]" 1
723 1 63 TYR H 1 63 TYR HB3 . . 3.510 2.665 2.515 2.792 . 0 0 "[ . 1 . 2]" 1
724 1 63 TYR H 1 63 TYR QD . . 4.210 4.144 4.073 4.200 . 0 0 "[ . 1 . 2]" 1
725 1 63 TYR H 1 64 LEU H . . 3.660 2.715 2.543 2.890 . 0 0 "[ . 1 . 2]" 1
726 1 63 TYR H 1 66 LYS HG2 . . 5.050 4.565 4.251 5.068 0.018 17 0 "[ . 1 . 2]" 1
727 1 63 TYR HA 1 63 TYR QD . . 3.970 3.023 2.718 3.165 . 0 0 "[ . 1 . 2]" 1
728 1 63 TYR HB2 1 64 LEU H . . 3.860 3.577 3.416 3.883 0.023 11 0 "[ . 1 . 2]" 1
729 1 63 TYR HB3 1 64 LEU H . . 4.140 2.283 2.112 2.633 . 0 0 "[ . 1 . 2]" 1
730 1 63 TYR QD 1 64 LEU HG . . 4.460 4.182 3.719 4.480 0.020 10 0 "[ . 1 . 2]" 1
731 1 63 TYR QD 3 30 ILE MD . . 3.740 3.370 2.960 3.633 . 0 0 "[ . 1 . 2]" 1
732 1 63 TYR QD 3 30 ILE MG . . 3.880 3.625 3.045 3.912 0.032 16 0 "[ . 1 . 2]" 1
733 1 63 TYR QE 1 67 CYS HB2 . . 4.690 4.389 3.550 4.795 0.105 7 0 "[ . 1 . 2]" 1
734 1 63 TYR QE 3 30 ILE HB . . 4.020 3.212 2.461 3.833 . 0 0 "[ . 1 . 2]" 1
735 1 63 TYR QE 3 30 ILE MD . . 3.860 2.853 2.427 3.347 . 0 0 "[ . 1 . 2]" 1
736 1 63 TYR QE 3 30 ILE QG . . 4.470 4.300 3.859 4.502 0.032 7 0 "[ . 1 . 2]" 1
737 1 63 TYR QE 3 30 ILE MG . . 3.550 1.910 1.807 2.074 . 0 0 "[ . 1 . 2]" 1
738 1 64 LEU H 1 64 LEU HB3 . . 4.080 3.617 3.591 3.635 . 0 0 "[ . 1 . 2]" 1
739 1 64 LEU H 1 64 LEU MD1 . . 3.610 3.596 3.544 3.627 0.017 11 0 "[ . 1 . 2]" 1
740 1 64 LEU H 1 64 LEU MD2 . . 3.540 2.946 2.859 3.067 . 0 0 "[ . 1 . 2]" 1
741 1 64 LEU H 1 64 LEU HG . . 3.310 1.985 1.948 2.040 . 0 0 "[ . 1 . 2]" 1
742 1 64 LEU H 1 65 GLU H . . 3.700 2.767 2.608 2.892 . 0 0 "[ . 1 . 2]" 1
743 1 64 LEU H 3 68 LEU QD . . 4.230 4.119 4.019 4.282 0.052 1 0 "[ . 1 . 2]" 1
744 1 64 LEU HA 1 64 LEU MD2 . . 4.370 2.174 2.128 2.222 . 0 0 "[ . 1 . 2]" 1
745 1 64 LEU HA 1 67 CYS H . . 3.620 3.677 3.586 3.744 0.124 14 0 "[ . 1 . 2]" 1
746 1 64 LEU HA 1 68 LEU H . . 5.500 4.079 3.770 4.517 . 0 0 "[ . 1 . 2]" 1
747 1 64 LEU HA 3 30 ILE MD . . 5.500 4.237 3.244 4.746 . 0 0 "[ . 1 . 2]" 1
748 1 64 LEU HA 3 68 LEU QD . . 5.440 4.787 4.700 4.922 . 0 0 "[ . 1 . 2]" 1
749 1 64 LEU HB2 1 65 GLU H . . 5.500 2.217 2.146 2.316 . 0 0 "[ . 1 . 2]" 1
750 1 64 LEU HB2 3 68 LEU QD . . 5.070 2.235 2.120 2.380 . 0 0 "[ . 1 . 2]" 1
751 1 64 LEU HB3 1 65 GLU H . . 4.240 3.463 3.412 3.557 . 0 0 "[ . 1 . 2]" 1
752 1 64 LEU MD1 1 65 GLU H . . 4.080 4.116 4.076 4.154 0.074 12 0 "[ . 1 . 2]" 1
753 1 64 LEU MD1 3 68 LEU H . . 4.280 3.237 2.878 3.590 . 0 0 "[ . 1 . 2]" 1
754 1 64 LEU MD1 3 68 LEU HA . . 5.500 2.520 2.206 2.974 . 0 0 "[ . 1 . 2]" 1
755 1 64 LEU MD2 3 68 LEU H . . 5.500 5.275 4.864 5.514 0.014 17 0 "[ . 1 . 2]" 1
756 1 64 LEU HG 1 65 GLU H . . 3.710 3.828 3.812 3.845 0.135 3 0 "[ . 1 . 2]" 1
757 1 65 GLU H 1 65 GLU HB2 . . 3.250 2.374 2.019 2.672 . 0 0 "[ . 1 . 2]" 1
758 1 65 GLU H 1 65 GLU HB3 . . 3.560 3.440 2.728 3.652 0.092 18 0 "[ . 1 . 2]" 1
759 1 65 GLU H 1 65 GLU HG2 . . 3.770 3.108 2.221 3.935 0.165 11 0 "[ . 1 . 2]" 1
760 1 65 GLU H 1 65 GLU HG3 . . 5.080 3.391 2.156 4.445 . 0 0 "[ . 1 . 2]" 1
761 1 65 GLU H 1 66 LYS H . . 3.520 3.034 2.921 3.117 . 0 0 "[ . 1 . 2]" 1
762 1 65 GLU H 3 68 LEU MD1 . . 5.500 5.436 3.220 5.657 0.157 19 0 "[ . 1 . 2]" 1
763 1 65 GLU H 3 68 LEU QD . . 3.900 3.231 3.092 3.362 . 0 0 "[ . 1 . 2]" 1
764 1 65 GLU H 3 68 LEU MD2 . . 5.500 3.370 3.109 5.564 0.064 1 0 "[ . 1 . 2]" 1
765 1 65 GLU HA 1 68 LEU H . . 3.920 3.537 3.073 3.943 0.023 5 0 "[ . 1 . 2]" 1
766 1 65 GLU HB2 1 66 LYS H . . 3.710 3.001 2.495 3.712 0.002 11 0 "[ . 1 . 2]" 1
767 1 65 GLU HB3 1 66 LYS H . . 3.680 3.346 2.412 3.761 0.081 17 0 "[ . 1 . 2]" 1
768 1 65 GLU HG2 1 66 LYS H . . 5.500 4.914 4.457 5.234 . 0 0 "[ . 1 . 2]" 1
769 1 65 GLU HG2 3 68 LEU QD . . 5.440 2.913 2.058 3.867 . 0 0 "[ . 1 . 2]" 1
770 1 65 GLU HG2 3 68 LEU HG . . 5.500 3.777 2.917 4.623 . 0 0 "[ . 1 . 2]" 1
771 1 65 GLU HG3 1 66 LYS H . . 5.500 4.918 4.204 5.314 . 0 0 "[ . 1 . 2]" 1
772 1 65 GLU HG3 3 68 LEU HG . . 5.330 4.446 3.326 5.359 0.029 13 0 "[ . 1 . 2]" 1
773 1 66 LYS H 1 66 LYS HB2 . . 3.280 3.486 3.451 3.520 0.240 7 0 "[ . 1 . 2]" 1
774 1 66 LYS H 1 66 LYS HB3 . . 3.210 2.480 2.395 2.584 . 0 0 "[ . 1 . 2]" 1
775 1 66 LYS H 1 66 LYS QD . . 5.500 3.804 3.294 4.341 . 0 0 "[ . 1 . 2]" 1
776 1 66 LYS H 1 66 LYS QE . . 5.500 4.433 3.791 5.236 . 0 0 "[ . 1 . 2]" 1
777 1 66 LYS H 1 66 LYS HG2 . . 3.450 2.302 1.973 3.521 0.071 17 0 "[ . 1 . 2]" 1
778 1 66 LYS H 1 66 LYS HG3 . . 3.550 3.199 2.215 3.577 0.027 6 0 "[ . 1 . 2]" 1
779 1 66 LYS H 1 67 CYS H . . 2.970 2.463 2.311 2.641 . 0 0 "[ . 1 . 2]" 1
780 1 66 LYS HA 1 66 LYS QD . . 4.510 4.295 3.798 4.531 0.021 11 0 "[ . 1 . 2]" 1
781 1 66 LYS HA 1 66 LYS QE . . 5.500 4.839 3.992 5.613 0.113 4 0 "[ . 1 . 2]" 1
782 1 66 LYS HA 1 69 ASN H . . 5.500 3.573 3.272 4.073 . 0 0 "[ . 1 . 2]" 1
783 1 66 LYS HB2 1 67 CYS H . . 3.630 3.708 3.631 3.773 0.143 6 0 "[ . 1 . 2]" 1
784 1 66 LYS HB3 1 66 LYS QE . . 4.750 3.276 2.135 4.121 . 0 0 "[ . 1 . 2]" 1
785 1 66 LYS HB3 1 67 CYS H . . 3.740 3.853 3.747 3.954 0.214 13 0 "[ . 1 . 2]" 1
786 1 66 LYS QD 1 66 LYS HG2 . . 2.400 2.308 2.161 2.438 0.038 9 0 "[ . 1 . 2]" 1
787 1 66 LYS QE 1 66 LYS HG2 . . 3.830 2.852 2.444 3.516 . 0 0 "[ . 1 . 2]" 1
788 1 66 LYS HG2 1 67 CYS H . . 3.820 2.735 2.302 3.884 0.064 10 0 "[ . 1 . 2]" 1
789 1 66 LYS HG3 1 67 CYS H . . 4.010 2.474 2.131 3.066 . 0 0 "[ . 1 . 2]" 1
790 1 67 CYS CB 3 38 CYS CB . . 3.990 3.775 3.492 4.025 0.035 19 0 "[ . 1 . 2]" 1
791 1 67 CYS CB 3 38 CYS SG . . 3.100 3.047 2.991 3.119 0.019 16 0 "[ . 1 . 2]" 1
792 1 67 CYS H 1 67 CYS HB2 . . 3.420 2.490 2.276 2.698 . 0 0 "[ . 1 . 2]" 1
793 1 67 CYS H 1 67 CYS HB3 . . 3.480 3.106 2.553 3.606 0.126 13 0 "[ . 1 . 2]" 1
794 1 67 CYS H 1 68 LEU H . . 3.280 2.657 2.486 2.782 . 0 0 "[ . 1 . 2]" 1
795 1 67 CYS H 1 70 LYS QD . . 5.500 5.173 4.519 5.564 0.064 15 0 "[ . 1 . 2]" 1
796 1 67 CYS H 1 70 LYS QG . . 5.500 5.079 4.142 5.603 0.103 6 0 "[ . 1 . 2]" 1
797 1 67 CYS HB2 1 68 LEU H . . 4.170 3.469 2.830 4.036 . 0 0 "[ . 1 . 2]" 1
798 1 67 CYS HB3 1 68 LEU H . . 4.260 3.243 2.535 4.173 . 0 0 "[ . 1 . 2]" 1
799 1 67 CYS SG 3 38 CYS CB . . 3.100 3.059 3.021 3.113 0.013 16 0 "[ . 1 . 2]" 1
800 1 67 CYS SG 3 38 CYS SG . . 2.100 2.036 2.019 2.048 . 0 0 "[ . 1 . 2]" 1
801 1 68 LEU H 1 68 LEU HB2 . . 3.500 2.180 2.063 2.541 . 0 0 "[ . 1 . 2]" 1
802 1 68 LEU H 1 68 LEU QB . . 2.930 2.053 1.979 2.110 . 0 0 "[ . 1 . 2]" 1
803 1 68 LEU H 1 68 LEU HB3 . . 3.500 2.554 2.161 2.681 . 0 0 "[ . 1 . 2]" 1
804 1 68 LEU H 1 68 LEU MD1 . . 4.930 4.223 4.088 4.311 . 0 0 "[ . 1 . 2]" 1
805 1 68 LEU H 1 68 LEU QD . . 3.400 3.530 3.479 3.599 0.199 4 0 "[ . 1 . 2]" 1
806 1 68 LEU H 1 68 LEU MD2 . . 4.930 3.787 3.699 3.994 . 0 0 "[ . 1 . 2]" 1
807 1 68 LEU H 1 68 LEU HG . . 5.460 4.417 4.257 4.495 . 0 0 "[ . 1 . 2]" 1
808 1 68 LEU H 1 69 ASN H . . 3.580 2.777 2.452 3.014 . 0 0 "[ . 1 . 2]" 1
809 1 68 LEU H 3 64 LEU MD1 . . 4.280 3.259 2.837 3.581 . 0 0 "[ . 1 . 2]" 1
810 1 68 LEU H 3 64 LEU MD2 . . 5.500 5.309 4.856 5.552 0.052 17 0 "[ . 1 . 2]" 1
811 1 68 LEU HA 3 61 GLN HE21 . . 3.900 3.410 2.467 3.919 0.019 15 0 "[ . 1 . 2]" 1
812 1 68 LEU HA 3 64 LEU MD1 . . 5.500 2.614 2.173 3.384 . 0 0 "[ . 1 . 2]" 1
813 1 68 LEU QB 1 69 ASN H . . 3.320 2.250 1.867 2.628 . 0 0 "[ . 1 . 2]" 1
814 1 68 LEU HB2 1 69 ASN H . . 3.810 3.553 3.347 3.788 . 0 0 "[ . 1 . 2]" 1
815 1 68 LEU HB2 3 61 GLN HE22 . . 5.500 4.582 4.070 4.862 . 0 0 "[ . 1 . 2]" 1
816 1 68 LEU HB3 1 69 ASN H . . 3.810 2.277 1.876 2.685 . 0 0 "[ . 1 . 2]" 1
817 1 68 LEU HB3 3 61 GLN HE22 . . 5.500 4.828 4.499 5.186 . 0 0 "[ . 1 . 2]" 1
818 1 68 LEU QD 1 69 ASN H . . 3.540 3.289 2.809 3.595 0.055 5 0 "[ . 1 . 2]" 1
819 1 68 LEU QD 3 61 GLN HA . . 4.870 2.006 1.877 2.195 . 0 0 "[ . 1 . 2]" 1
820 1 68 LEU QD 3 61 GLN QB . . 4.700 2.342 1.837 2.855 . 0 0 "[ . 1 . 2]" 1
821 1 68 LEU QD 3 61 GLN HE21 . . 4.130 2.608 1.774 3.453 . 0 0 "[ . 1 . 2]" 1
822 1 68 LEU QD 3 61 GLN HE22 . . 3.750 2.291 1.875 3.124 . 0 0 "[ . 1 . 2]" 1
823 1 68 LEU QD 3 61 GLN QG . . 5.440 3.247 2.907 3.426 . 0 0 "[ . 1 . 2]" 1
824 1 68 LEU QD 3 64 LEU H . . 4.230 4.111 4.010 4.340 0.110 4 0 "[ . 1 . 2]" 1
825 1 68 LEU QD 3 64 LEU HA . . 5.440 4.805 4.597 5.217 . 0 0 "[ . 1 . 2]" 1
826 1 68 LEU QD 3 64 LEU HB2 . . 5.070 2.257 2.081 2.968 . 0 0 "[ . 1 . 2]" 1
827 1 68 LEU QD 3 65 GLU H . . 3.900 3.215 2.946 3.458 . 0 0 "[ . 1 . 2]" 1
828 1 68 LEU QD 3 65 GLU HG2 . . 5.440 3.205 2.328 4.110 . 0 0 "[ . 1 . 2]" 1
829 1 68 LEU QD 4 29 PRO QB . . 3.490 3.231 2.468 3.604 0.114 1 0 "[ . 1 . 2]" 1
830 1 68 LEU QD 4 29 PRO QD . . 4.850 4.964 4.830 5.084 0.234 4 0 "[ . 1 . 2]" 1
831 1 68 LEU QD 4 29 PRO QG . . 4.640 4.013 3.321 4.649 0.009 14 0 "[ . 1 . 2]" 1
832 1 68 LEU QD 4 31 PHE QD . . 3.450 3.010 1.952 3.635 0.185 20 0 "[ . 1 . 2]" 1
833 1 68 LEU MD1 3 61 GLN HE22 . . 5.500 2.814 2.225 3.727 . 0 0 "[ . 1 . 2]" 1
834 1 68 LEU MD1 3 65 GLU H . . 5.500 5.468 4.239 5.616 0.116 2 0 "[ . 1 . 2]" 1
835 1 68 LEU MD2 3 61 GLN HE22 . . 5.500 2.540 2.019 5.123 . 0 0 "[ . 1 . 2]" 1
836 1 68 LEU MD2 3 65 GLU H . . 5.500 3.241 2.963 3.490 . 0 0 "[ . 1 . 2]" 1
837 1 68 LEU HG 3 61 GLN HE22 . . 5.500 4.965 4.375 5.460 . 0 0 "[ . 1 . 2]" 1
838 1 68 LEU HG 3 65 GLU HG2 . . 5.500 3.945 3.208 5.019 . 0 0 "[ . 1 . 2]" 1
839 1 68 LEU HG 3 65 GLU HG3 . . 5.330 4.616 3.473 5.376 0.046 3 0 "[ . 1 . 2]" 1
840 1 69 ASN H 1 69 ASN HB2 . . 3.540 2.878 2.361 3.598 0.058 1 0 "[ . 1 . 2]" 1
841 1 69 ASN H 1 69 ASN HB3 . . 3.540 2.913 2.479 3.602 0.062 8 0 "[ . 1 . 2]" 1
842 1 69 ASN H 1 70 LYS H . . 3.660 2.439 1.963 3.214 . 0 0 "[ . 1 . 2]" 1
843 1 69 ASN HA 1 69 ASN HD21 . . 4.290 3.352 1.880 4.313 0.023 5 0 "[ . 1 . 2]" 1
844 1 69 ASN HA 1 69 ASN HD22 . . 4.290 4.087 3.445 4.432 0.142 5 0 "[ . 1 . 2]" 1
845 1 69 ASN HA 1 70 LYS H . . 3.340 3.387 2.057 3.514 0.174 16 0 "[ . 1 . 2]" 1
846 1 69 ASN QB 1 69 ASN QD . . 2.970 2.178 2.091 2.706 . 0 0 "[ . 1 . 2]" 1
847 1 69 ASN QB 1 70 LYS H . . 3.540 2.448 1.940 3.752 0.212 19 0 "[ . 1 . 2]" 1
848 1 69 ASN QB 1 70 LYS QB . . 5.180 3.927 3.327 5.192 0.012 19 0 "[ . 1 . 2]" 1
849 1 69 ASN HB2 1 69 ASN HD22 . . 3.920 3.541 3.425 3.985 0.065 8 0 "[ . 1 . 2]" 1
850 1 69 ASN HB2 1 70 LYS H . . 4.330 3.505 2.074 4.340 0.010 19 0 "[ . 1 . 2]" 1
851 1 69 ASN HB3 1 69 ASN HD22 . . 3.920 3.833 3.420 4.018 0.098 19 0 "[ . 1 . 2]" 1
852 1 69 ASN HB3 1 70 LYS H . . 4.330 2.670 1.952 4.105 . 0 0 "[ . 1 . 2]" 1
853 1 70 LYS H 1 70 LYS HB2 . . 3.600 3.281 2.454 3.784 0.184 16 0 "[ . 1 . 2]" 1
854 1 70 LYS H 1 70 LYS QB . . 2.910 2.674 2.418 3.008 0.098 16 0 "[ . 1 . 2]" 1
855 1 70 LYS H 1 70 LYS HB3 . . 3.600 3.148 2.659 3.763 0.163 19 0 "[ . 1 . 2]" 1
856 1 70 LYS H 1 70 LYS QD . . 5.500 3.590 1.556 4.590 . 0 0 "[ . 1 . 2]" 1
857 1 70 LYS H 1 70 LYS QG . . 3.300 2.350 1.804 3.213 . 0 0 "[ . 1 . 2]" 1
858 1 70 LYS HA 1 70 LYS QD . . 5.030 4.128 3.691 4.574 . 0 0 "[ . 1 . 2]" 1
859 1 70 LYS HA 1 70 LYS QE . . 5.500 4.491 3.981 5.504 0.004 16 0 "[ . 1 . 2]" 1
860 2 4 GLU H 2 4 GLU QB . . 3.660 2.505 2.129 3.316 . 0 0 "[ . 1 . 2]" 1
861 2 4 GLU H 2 4 GLU QG . . 4.440 3.455 2.262 4.198 . 0 0 "[ . 1 . 2]" 1
862 2 4 GLU HA 2 4 GLU QG . . 3.130 2.493 2.363 3.069 . 0 0 "[ . 1 . 2]" 1
863 2 4 GLU HB2 2 4 GLU QG . . 2.420 2.313 2.146 2.412 . 0 0 "[ . 1 . 2]" 1
864 2 4 GLU HB3 2 4 GLU QG . . 2.420 2.321 2.170 2.440 0.020 9 0 "[ . 1 . 2]" 1
865 2 5 GLY H 2 6 ILE H . . 4.610 2.907 1.802 4.338 . 0 0 "[ . 1 . 2]" 1
866 2 5 GLY QA 2 6 ILE H . . 3.140 2.514 2.097 2.879 . 0 0 "[ . 1 . 2]" 1
867 2 6 ILE H 2 6 ILE HB . . 3.470 2.638 2.435 3.569 0.099 5 0 "[ . 1 . 2]" 1
868 2 6 ILE H 2 6 ILE MD . . 3.990 3.578 2.689 3.967 . 0 0 "[ . 1 . 2]" 1
869 2 6 ILE H 2 6 ILE HG12 . . 4.000 3.118 1.930 3.850 . 0 0 "[ . 1 . 2]" 1
870 2 6 ILE H 2 6 ILE QG . . 3.420 2.302 1.906 2.659 . 0 0 "[ . 1 . 2]" 1
871 2 6 ILE H 2 6 ILE HG13 . . 4.000 2.808 2.003 4.153 0.153 13 0 "[ . 1 . 2]" 1
872 2 6 ILE H 2 6 ILE MG . . 3.920 3.739 2.473 3.970 0.050 13 0 "[ . 1 . 2]" 1
873 2 6 ILE HA 2 6 ILE MD . . 4.440 3.339 2.007 4.219 . 0 0 "[ . 1 . 2]" 1
874 2 6 ILE MD 2 6 ILE MG . . 2.400 1.961 1.868 2.050 . 0 0 "[ . 1 . 2]" 1
875 2 6 ILE QG 2 6 ILE MG . . 2.970 2.320 2.253 2.382 . 0 0 "[ . 1 . 2]" 1
876 2 6 ILE HG12 2 6 ILE MG . . 3.400 2.638 2.340 3.217 . 0 0 "[ . 1 . 2]" 1
877 2 6 ILE HG13 2 6 ILE MG . . 3.400 2.951 2.303 3.224 . 0 0 "[ . 1 . 2]" 1
878 2 7 SER HB2 2 8 ILE H . . 4.770 4.147 3.063 4.549 . 0 0 "[ . 1 . 2]" 1
879 2 7 SER HB3 2 8 ILE H . . 4.770 3.833 2.466 4.486 . 0 0 "[ . 1 . 2]" 1
880 2 8 ILE H 2 8 ILE HB . . 4.180 3.007 2.461 3.953 . 0 0 "[ . 1 . 2]" 1
881 2 8 ILE H 2 8 ILE MD . . 4.350 2.980 1.646 4.409 0.059 8 0 "[ . 1 . 2]" 1
882 2 8 ILE H 2 8 ILE HG12 . . 4.770 3.032 2.104 4.472 . 0 0 "[ . 1 . 2]" 1
883 2 8 ILE H 2 8 ILE QG . . 4.100 2.780 2.090 3.982 . 0 0 "[ . 1 . 2]" 1
884 2 8 ILE H 2 8 ILE HG13 . . 4.770 3.807 2.326 4.530 . 0 0 "[ . 1 . 2]" 1
885 2 8 ILE H 2 8 ILE MG . . 4.350 3.302 1.985 4.041 . 0 0 "[ . 1 . 2]" 1
886 2 8 ILE HA 2 8 ILE MD . . 3.640 2.880 2.035 3.756 0.116 5 0 "[ . 1 . 2]" 1
887 2 8 ILE HA 2 8 ILE MG . . 3.620 2.459 2.294 3.202 . 0 0 "[ . 1 . 2]" 1
888 2 8 ILE HA 2 9 TYR H . . 3.350 2.725 1.994 3.506 0.156 10 0 "[ . 1 . 2]" 1
889 2 8 ILE HB 2 8 ILE MD . . 3.300 3.051 2.096 3.292 . 0 0 "[ . 1 . 2]" 1
890 2 8 ILE HB 2 9 TYR H . . 4.230 3.107 1.742 4.260 0.030 16 0 "[ . 1 . 2]" 1
891 2 8 ILE HB 2 9 TYR QD . . 5.500 4.523 2.790 5.623 0.123 12 0 "[ . 1 . 2]" 1
892 2 8 ILE MD 2 8 ILE MG . . 2.400 2.019 1.772 2.419 0.019 11 0 "[ . 1 . 2]" 1
893 2 8 ILE MD 2 9 TYR H . . 3.930 3.594 2.225 4.157 0.227 15 0 "[ . 1 . 2]" 1
894 2 8 ILE MD 2 9 TYR QD . . 5.500 4.759 3.797 5.555 0.055 11 0 "[ . 1 . 2]" 1
895 2 8 ILE MD 2 9 TYR QE . . 5.500 4.934 3.805 5.690 0.190 11 0 "[ . 1 . 2]" 1
896 2 8 ILE QG 2 9 TYR H . . 4.570 3.376 1.622 4.648 0.078 12 0 "[ . 1 . 2]" 1
897 2 8 ILE HG12 2 8 ILE MG . . 3.080 2.989 2.150 3.172 0.092 4 0 "[ . 1 . 2]" 1
898 2 8 ILE HG13 2 8 ILE MG . . 3.080 2.461 2.229 3.163 0.083 6 0 "[ . 1 . 2]" 1
899 2 8 ILE MG 2 9 TYR H . . 3.930 3.004 1.992 3.848 . 0 0 "[ . 1 . 2]" 1
900 2 8 ILE MG 2 9 TYR QD . . 5.010 4.078 2.190 5.123 0.113 9 0 "[ . 1 . 2]" 1
901 2 8 ILE MG 2 9 TYR QE . . 5.500 4.682 2.962 5.605 0.105 8 0 "[ . 1 . 2]" 1
902 2 9 TYR H 2 9 TYR HB2 . . 3.760 3.321 2.607 3.950 0.190 15 0 "[ . 1 . 2]" 1
903 2 9 TYR H 2 9 TYR HB3 . . 3.830 3.441 2.759 3.930 0.100 11 0 "[ . 1 . 2]" 1
904 2 9 TYR H 2 9 TYR QD . . 4.200 2.676 1.664 3.527 . 0 0 "[ . 1 . 2]" 1
905 2 9 TYR HA 2 9 TYR QD . . 3.050 3.043 2.289 3.493 0.443 6 0 "[ . 1 . 2]" 1
906 2 9 TYR HB2 3 25 VAL QG . . 3.970 3.962 2.804 4.224 0.254 20 0 "[ . 1 . 2]" 1
907 2 9 TYR HB3 3 25 VAL QG . . 3.730 3.342 2.386 3.795 0.065 16 0 "[ . 1 . 2]" 1
908 2 9 TYR QD 3 25 VAL QG . . 3.510 2.760 1.945 3.442 . 0 0 "[ . 1 . 2]" 1
909 2 9 TYR QE 3 25 VAL QG . . 3.660 3.231 2.354 3.770 0.110 17 0 "[ . 1 . 2]" 1
910 2 10 THR HA 2 10 THR MG . . 3.690 2.457 2.253 3.235 . 0 0 "[ . 1 . 2]" 1
911 2 10 THR HB 2 11 SER H . . 5.200 3.660 2.203 4.526 . 0 0 "[ . 1 . 2]" 1
912 2 12 ASP HB2 2 13 ASN H . . 5.210 3.583 2.001 4.649 . 0 0 "[ . 1 . 2]" 1
913 2 12 ASP HB3 2 13 ASN H . . 5.210 3.546 2.097 4.539 . 0 0 "[ . 1 . 2]" 1
914 2 14 TYR H 2 14 TYR HB2 . . 4.100 3.065 2.368 3.629 . 0 0 "[ . 1 . 2]" 1
915 2 14 TYR H 2 14 TYR HB3 . . 4.100 2.899 2.329 3.759 . 0 0 "[ . 1 . 2]" 1
916 2 14 TYR H 2 14 TYR QD . . 4.810 4.351 4.095 4.643 . 0 0 "[ . 1 . 2]" 1
917 2 14 TYR HA 2 14 TYR QD . . 2.990 2.534 2.047 2.958 . 0 0 "[ . 1 . 2]" 1
918 2 14 TYR HB2 2 15 THR H . . 4.390 4.041 3.164 4.474 0.084 1 0 "[ . 1 . 2]" 1
919 2 14 TYR HB3 2 15 THR H . . 4.390 3.232 1.910 4.364 . 0 0 "[ . 1 . 2]" 1
920 2 14 TYR QD 2 15 THR H . . 4.730 3.922 2.816 4.750 0.020 15 0 "[ . 1 . 2]" 1
921 2 15 THR H 2 15 THR HB . . 3.970 3.770 2.838 4.044 0.074 13 0 "[ . 1 . 2]" 1
922 2 15 THR H 2 15 THR MG . . 4.080 2.662 1.857 3.777 . 0 0 "[ . 1 . 2]" 1
923 2 15 THR HA 2 15 THR HB . . 2.400 2.458 2.403 2.514 0.114 4 0 "[ . 1 . 2]" 1
924 2 15 THR HA 2 15 THR MG . . 3.080 2.414 2.209 3.203 0.123 9 0 "[ . 1 . 2]" 1
925 2 15 THR HA 2 16 GLU H . . 3.370 2.564 2.009 3.405 0.035 1 0 "[ . 1 . 2]" 1
926 2 15 THR HB 2 16 GLU H . . 5.500 4.108 2.484 4.617 . 0 0 "[ . 1 . 2]" 1
927 2 15 THR MG 2 16 GLU H . . 4.690 4.131 3.531 4.407 . 0 0 "[ . 1 . 2]" 1
928 2 16 GLU H 2 16 GLU HB3 . . 3.890 3.139 2.392 3.936 0.046 1 0 "[ . 1 . 2]" 1
929 2 16 GLU H 2 16 GLU QG . . 4.180 2.355 1.648 3.267 . 0 0 "[ . 1 . 2]" 1
930 2 16 GLU HA 2 16 GLU QG . . 3.300 3.173 2.370 3.465 0.165 12 0 "[ . 1 . 2]" 1
931 2 16 GLU HA 2 17 GLU H . . 3.400 2.594 2.055 3.480 0.080 6 0 "[ . 1 . 2]" 1
932 2 16 GLU HB2 2 16 GLU QG . . 2.400 2.229 2.114 2.368 . 0 0 "[ . 1 . 2]" 1
933 2 16 GLU HB3 2 16 GLU QG . . 2.400 2.377 2.310 2.430 0.030 5 0 "[ . 1 . 2]" 1
934 2 17 GLU H 2 17 GLU HB2 . . 3.880 3.391 2.485 3.980 0.100 5 0 "[ . 1 . 2]" 1
935 2 17 GLU H 2 17 GLU QB . . 3.380 2.872 2.301 3.392 0.012 5 0 "[ . 1 . 2]" 1
936 2 17 GLU H 2 17 GLU HB3 . . 3.880 3.308 2.527 3.985 0.105 6 0 "[ . 1 . 2]" 1
937 2 17 GLU H 2 17 GLU QG . . 3.950 2.982 2.073 4.060 0.110 10 0 "[ . 1 . 2]" 1
938 2 17 GLU HA 2 17 GLU QG . . 3.190 2.907 2.437 3.312 0.122 1 0 "[ . 1 . 2]" 1
939 2 17 GLU HA 2 18 MET H . . 3.450 3.026 2.159 3.550 0.100 7 0 "[ . 1 . 2]" 1
940 2 17 GLU HB2 2 17 GLU QG . . 2.400 2.310 2.108 2.386 . 0 0 "[ . 1 . 2]" 1
941 2 17 GLU HB3 2 17 GLU QG . . 2.400 2.309 2.170 2.382 . 0 0 "[ . 1 . 2]" 1
942 2 18 MET H 2 18 MET QB . . 3.490 2.835 2.408 3.283 . 0 0 "[ . 1 . 2]" 1
943 2 18 MET H 2 18 MET QG . . 4.390 3.487 2.383 4.473 0.083 13 0 "[ . 1 . 2]" 1
944 2 18 MET HA 2 18 MET QG . . 3.660 2.668 2.322 3.357 . 0 0 "[ . 1 . 2]" 1
945 2 22 ASP QB 2 23 TYS H . . 4.410 2.173 1.620 2.701 . 0 0 "[ . 1 . 2]" 1
946 2 22 ASP QB 2 25 SER QB . . 4.270 4.195 3.992 4.349 0.079 10 0 "[ . 1 . 2]" 1
947 2 22 ASP HB2 2 25 SER HB2 . . 5.500 5.310 4.717 5.691 0.191 2 0 "[ . 1 . 2]" 1
948 2 22 ASP HB2 2 25 SER HB3 . . 5.500 5.441 4.772 5.722 0.222 10 0 "[ . 1 . 2]" 1
949 2 22 ASP HB3 2 25 SER HB2 . . 5.500 5.336 4.651 5.737 0.237 12 0 "[ . 1 . 2]" 1
950 2 22 ASP HB3 2 25 SER HB3 . . 5.500 5.306 4.640 5.665 0.165 20 0 "[ . 1 . 2]" 1
951 2 23 TYS H 2 24 ASP H . . 4.970 3.074 2.283 4.222 . 0 0 "[ . 1 . 2]" 1
952 2 23 TYS HB2 2 24 ASP H . . 4.670 4.091 2.234 4.515 . 0 0 "[ . 1 . 2]" 1
953 2 23 TYS HB3 2 24 ASP H . . 4.870 3.951 1.945 4.443 . 0 0 "[ . 1 . 2]" 1
954 2 24 ASP H 2 24 ASP HB2 . . 4.160 3.127 2.709 3.535 . 0 0 "[ . 1 . 2]" 1
955 2 24 ASP H 2 24 ASP HB3 . . 4.160 3.526 2.964 3.792 . 0 0 "[ . 1 . 2]" 1
956 2 26 MET HA 2 26 MET HG2 . . 4.240 3.159 2.378 3.853 . 0 0 "[ . 1 . 2]" 1
957 2 26 MET HA 2 26 MET QG . . 3.670 2.640 2.290 3.123 . 0 0 "[ . 1 . 2]" 1
958 2 26 MET HA 2 26 MET HG3 . . 4.240 2.965 2.538 3.746 . 0 0 "[ . 1 . 2]" 1
959 2 26 MET HA 2 27 LYS H . . 3.540 2.335 1.955 2.814 . 0 0 "[ . 1 . 2]" 1
960 2 26 MET QB 2 26 MET QG . . 2.310 2.046 1.980 2.084 . 0 0 "[ . 1 . 2]" 1
961 2 26 MET HB2 2 26 MET HG2 . . 2.980 2.792 2.385 3.005 0.025 11 0 "[ . 1 . 2]" 1
962 2 26 MET HB2 2 26 MET HG3 . . 2.980 2.590 2.370 2.999 0.019 2 0 "[ . 1 . 2]" 1
963 2 26 MET HB3 2 26 MET HG2 . . 2.980 2.469 2.399 3.009 0.029 12 0 "[ . 1 . 2]" 1
964 2 26 MET HB3 2 26 MET HG3 . . 2.980 2.802 2.409 3.008 0.028 5 0 "[ . 1 . 2]" 1
965 2 27 LYS H 2 27 LYS HB2 . . 3.850 3.113 2.353 3.938 0.088 14 0 "[ . 1 . 2]" 1
966 2 27 LYS H 2 27 LYS HB3 . . 3.850 3.434 2.815 3.872 0.022 5 0 "[ . 1 . 2]" 1
967 2 27 LYS H 2 27 LYS QD . . 4.610 4.028 1.776 4.846 0.236 9 0 "[ . 1 . 2]" 1
968 2 27 LYS H 2 27 LYS QG . . 4.150 3.282 1.971 4.247 0.097 19 0 "[ . 1 . 2]" 1
969 2 27 LYS HA 2 27 LYS QD . . 4.260 3.403 1.897 4.378 0.118 2 0 "[ . 1 . 2]" 1
970 2 27 LYS HA 2 27 LYS QE . . 4.660 3.734 1.785 4.680 0.020 15 0 "[ . 1 . 2]" 1
971 2 27 LYS HA 2 27 LYS QG . . 3.860 2.866 2.357 3.548 . 0 0 "[ . 1 . 2]" 1
972 2 27 LYS HA 2 28 GLU H . . 3.230 2.576 2.110 3.095 . 0 0 "[ . 1 . 2]" 1
973 2 27 LYS QB 2 27 LYS QD . . 2.370 2.293 1.998 2.526 0.156 3 0 "[ . 1 . 2]" 1
974 2 27 LYS QB 2 27 LYS QE . . 3.380 2.587 1.925 3.508 0.128 5 0 "[ . 1 . 2]" 1
975 2 27 LYS QB 2 28 GLU H . . 3.650 2.329 1.651 3.633 . 0 0 "[ . 1 . 2]" 1
976 2 27 LYS HB2 2 27 LYS QE . . 4.050 3.231 1.935 4.111 0.061 6 0 "[ . 1 . 2]" 1
977 2 27 LYS HB2 2 28 GLU H . . 4.300 3.172 2.056 4.353 0.053 8 0 "[ . 1 . 2]" 1
978 2 27 LYS HB3 2 27 LYS QE . . 4.050 3.007 1.969 4.070 0.020 15 0 "[ . 1 . 2]" 1
979 2 27 LYS HB3 2 28 GLU H . . 4.300 2.768 1.662 4.049 . 0 0 "[ . 1 . 2]" 1
980 2 27 LYS QE 2 27 LYS QG . . 3.290 2.433 2.044 2.881 . 0 0 "[ . 1 . 2]" 1
981 2 27 LYS QG 2 28 GLU H . . 4.580 3.379 1.630 4.283 . 0 0 "[ . 1 . 2]" 1
982 2 28 GLU H 2 29 PRO HD2 . . 4.830 4.589 4.121 4.953 0.123 5 0 "[ . 1 . 2]" 1
983 2 28 GLU H 2 29 PRO QD . . 4.230 4.108 3.382 4.308 0.078 19 0 "[ . 1 . 2]" 1
984 2 28 GLU H 2 29 PRO HD3 . . 4.830 4.669 3.594 5.030 0.200 12 0 "[ . 1 . 2]" 1
985 2 29 PRO HA 2 30 ALA H . . 3.280 2.269 1.986 3.407 0.127 10 0 "[ . 1 . 2]" 1
986 2 29 PRO QB 3 68 LEU QD . . 3.490 3.281 2.632 3.562 0.072 1 0 "[ . 1 . 2]" 1
987 2 29 PRO HB2 2 30 ALA H . . 4.330 3.591 2.744 4.314 . 0 0 "[ . 1 . 2]" 1
988 2 29 PRO HB3 2 30 ALA H . . 4.330 3.881 3.588 4.284 . 0 0 "[ . 1 . 2]" 1
989 2 29 PRO QD 2 30 ALA H . . 4.830 4.449 2.683 4.873 0.043 11 0 "[ . 1 . 2]" 1
990 2 29 PRO QD 3 68 LEU QD . . 4.850 4.934 4.519 5.069 0.219 19 0 "[ . 1 . 2]" 1
991 2 29 PRO QG 2 30 ALA H . . 4.590 4.271 2.257 4.677 0.087 12 0 "[ . 1 . 2]" 1
992 2 29 PRO QG 3 68 LEU QD . . 4.640 4.051 3.336 4.643 0.003 16 0 "[ . 1 . 2]" 1
993 2 30 ALA H 2 30 ALA MB . . 3.200 2.448 2.232 2.971 . 0 0 "[ . 1 . 2]" 1
994 2 30 ALA HA 2 31 PHE H . . 3.240 2.888 2.144 3.403 0.163 4 0 "[ . 1 . 2]" 1
995 2 30 ALA MB 2 31 PHE H . . 3.760 3.169 1.845 3.651 . 0 0 "[ . 1 . 2]" 1
996 2 31 PHE H 2 31 PHE HB2 . . 3.730 2.686 2.299 3.205 . 0 0 "[ . 1 . 2]" 1
997 2 31 PHE H 2 31 PHE QB . . 3.240 2.558 2.193 3.027 . 0 0 "[ . 1 . 2]" 1
998 2 31 PHE H 2 31 PHE HB3 . . 3.730 3.351 2.481 3.779 0.049 11 0 "[ . 1 . 2]" 1
999 2 31 PHE H 2 31 PHE QD . . 4.500 3.832 3.082 4.189 . 0 0 "[ . 1 . 2]" 1
1000 2 31 PHE HA 2 31 PHE QD . . 3.460 2.263 1.922 2.676 . 0 0 "[ . 1 . 2]" 1
1001 2 31 PHE HA 2 31 PHE QE . . 4.060 4.198 4.130 4.259 0.199 20 0 "[ . 1 . 2]" 1
1002 2 31 PHE HB2 2 32 ARG H . . 4.540 3.921 2.854 4.578 0.038 13 0 "[ . 1 . 2]" 1
1003 2 31 PHE HB3 2 32 ARG H . . 4.540 3.410 2.263 4.491 . 0 0 "[ . 1 . 2]" 1
1004 2 31 PHE QD 3 68 LEU QD . . 3.450 3.101 2.029 3.639 0.189 2 0 "[ . 1 . 2]" 1
1005 2 32 ARG H 2 32 ARG QB . . 3.590 2.609 2.082 3.373 . 0 0 "[ . 1 . 2]" 1
1006 2 32 ARG H 2 32 ARG QG . . 4.080 3.469 2.224 4.111 0.031 11 0 "[ . 1 . 2]" 1
1007 2 32 ARG HA 2 32 ARG QD . . 4.480 3.877 2.046 4.505 0.025 13 0 "[ . 1 . 2]" 1
1008 2 32 ARG HA 2 32 ARG QG . . 3.720 2.632 2.342 3.360 . 0 0 "[ . 1 . 2]" 1
1009 2 32 ARG HA 2 33 GLU H . . 3.320 2.512 2.082 3.428 0.108 11 0 "[ . 1 . 2]" 1
1010 2 32 ARG HB2 2 32 ARG QD . . 3.800 2.642 2.331 3.500 . 0 0 "[ . 1 . 2]" 1
1011 2 32 ARG HB3 2 32 ARG QD . . 3.800 2.515 2.270 2.977 . 0 0 "[ . 1 . 2]" 1
1012 2 32 ARG QG 2 33 GLU H . . 4.900 3.452 2.291 4.818 . 0 0 "[ . 1 . 2]" 1
1013 2 33 GLU H 2 33 GLU QB . . 3.610 2.527 2.191 3.406 . 0 0 "[ . 1 . 2]" 1
1014 2 33 GLU H 2 33 GLU QG . . 4.740 3.288 2.075 4.204 . 0 0 "[ . 1 . 2]" 1
1015 2 33 GLU HA 2 33 GLU QG . . 3.130 2.589 2.409 3.071 . 0 0 "[ . 1 . 2]" 1
1016 2 33 GLU HA 2 34 GLU H . . 3.270 2.139 1.991 2.296 . 0 0 "[ . 1 . 2]" 1
1017 2 33 GLU QB 2 34 GLU H . . 3.450 3.289 2.621 3.605 0.155 15 0 "[ . 1 . 2]" 1
1018 2 33 GLU HB2 2 33 GLU QG . . 2.400 2.331 2.150 2.401 0.001 19 0 "[ . 1 . 2]" 1
1019 2 33 GLU HB2 2 34 GLU H . . 4.190 4.059 3.780 4.286 0.096 19 0 "[ . 1 . 2]" 1
1020 2 33 GLU HB3 2 33 GLU QG . . 2.400 2.303 2.163 2.400 . 0 0 "[ . 1 . 2]" 1
1021 2 33 GLU HB3 2 34 GLU H . . 4.190 3.533 2.673 4.100 . 0 0 "[ . 1 . 2]" 1
1022 2 33 GLU QG 2 34 GLU H . . 4.520 3.530 2.256 4.461 . 0 0 "[ . 1 . 2]" 1
1023 2 34 GLU H 2 34 GLU HB2 . . 3.910 2.911 2.372 3.938 0.028 12 0 "[ . 1 . 2]" 1
1024 2 34 GLU H 2 34 GLU QB . . 3.360 2.634 2.339 3.313 . 0 0 "[ . 1 . 2]" 1
1025 2 34 GLU H 2 34 GLU HB3 . . 3.910 3.375 2.572 3.893 . 0 0 "[ . 1 . 2]" 1
1026 2 34 GLU H 2 34 GLU QG . . 4.040 3.309 2.332 4.232 0.192 3 0 "[ . 1 . 2]" 1
1027 2 34 GLU HA 2 34 GLU QG . . 3.200 2.522 2.337 3.296 0.096 12 0 "[ . 1 . 2]" 1
1028 2 34 GLU HB2 2 34 GLU QG . . 2.400 2.302 2.088 2.367 . 0 0 "[ . 1 . 2]" 1
1029 2 34 GLU HB3 2 34 GLU QG . . 2.400 2.335 2.288 2.405 0.005 17 0 "[ . 1 . 2]" 1
1030 2 38 PHE HA 2 38 PHE QD . . 3.510 2.406 2.159 2.574 . 0 0 "[ . 1 . 2]" 1
1031 2 38 PHE HA 2 38 PHE QE . . 4.260 4.350 4.272 4.395 0.135 15 0 "[ . 1 . 2]" 1
1032 2 40 LYS HA 2 40 LYS QE . . 4.760 4.510 3.824 4.830 0.070 7 0 "[ . 1 . 2]" 1
1033 2 40 LYS QB 2 40 LYS QE . . 3.260 3.046 1.879 3.458 0.198 17 0 "[ . 1 . 2]" 1
1034 2 40 LYS HB2 2 40 LYS QD . . 2.400 2.314 2.195 2.573 0.173 19 0 "[ . 1 . 2]" 1
1035 2 40 LYS HB3 2 40 LYS QD . . 2.400 2.313 2.231 2.542 0.142 13 0 "[ . 1 . 2]" 1
1036 3 8 SER HA 3 9 TYR QD . . 4.390 3.708 2.996 4.488 0.098 1 0 "[ . 1 . 2]" 1
1037 3 8 SER QB 3 9 TYR QD . . 4.450 3.906 2.166 4.540 0.090 16 0 "[ . 1 . 2]" 1
1038 3 9 TYR HA 3 9 TYR QD . . 3.900 3.027 2.591 3.773 . 0 0 "[ . 1 . 2]" 1
1039 3 11 CYS CB 3 36 CYS CB . . 3.990 3.851 3.603 4.094 0.104 11 0 "[ . 1 . 2]" 1
1040 3 11 CYS CB 3 36 CYS SG . . 3.100 3.037 2.987 3.088 . 0 0 "[ . 1 . 2]" 1
1041 3 11 CYS HB2 3 12 PRO QD . . 5.500 3.594 3.319 3.867 . 0 0 "[ . 1 . 2]" 1
1042 3 11 CYS HB3 3 12 PRO QD . . 5.500 2.366 1.913 3.861 . 0 0 "[ . 1 . 2]" 1
1043 3 11 CYS SG 3 36 CYS CB . . 3.100 3.051 3.009 3.105 0.005 10 0 "[ . 1 . 2]" 1
1044 3 11 CYS SG 3 36 CYS SG . . 2.100 2.022 2.006 2.035 . 0 0 "[ . 1 . 2]" 1
1045 3 12 PRO HA 4 14 TYR QE . . 3.400 3.374 2.857 3.598 0.198 20 0 "[ . 1 . 2]" 1
1046 3 12 PRO HB2 3 13 CYS H . . 4.180 3.411 3.156 3.822 . 0 0 "[ . 1 . 2]" 1
1047 3 12 PRO HB2 3 31 LEU MD1 . . 5.500 4.441 2.879 5.219 . 0 0 "[ . 1 . 2]" 1
1048 3 12 PRO HB2 3 31 LEU MD2 . . 5.500 4.624 3.403 5.318 . 0 0 "[ . 1 . 2]" 1
1049 3 12 PRO HB2 3 33 THR MG . . 5.500 4.405 3.310 5.097 . 0 0 "[ . 1 . 2]" 1
1050 3 12 PRO HB2 4 14 TYR QD . . 4.120 4.155 3.893 4.250 0.130 15 0 "[ . 1 . 2]" 1
1051 3 12 PRO HB2 4 14 TYR QE . . 3.940 2.236 1.926 2.922 . 0 0 "[ . 1 . 2]" 1
1052 3 12 PRO HB3 3 13 CYS H . . 3.980 4.019 3.814 4.094 0.114 7 0 "[ . 1 . 2]" 1
1053 3 12 PRO HB3 3 31 LEU QD . . 5.380 3.549 1.949 4.406 . 0 0 "[ . 1 . 2]" 1
1054 3 12 PRO HB3 4 14 TYR QD . . 4.070 3.084 2.629 3.719 . 0 0 "[ . 1 . 2]" 1
1055 3 12 PRO HB3 4 14 TYR QE . . 3.450 2.093 1.756 2.621 . 0 0 "[ . 1 . 2]" 1
1056 3 12 PRO QD 3 13 CYS H . . 4.030 2.561 2.179 3.002 . 0 0 "[ . 1 . 2]" 1
1057 3 12 PRO QD 3 31 LEU QD . . 5.430 4.536 2.307 5.480 0.050 12 0 "[ . 1 . 2]" 1
1058 3 12 PRO QD 3 33 THR MG . . 5.210 2.017 1.747 2.693 . 0 0 "[ . 1 . 2]" 1
1059 3 12 PRO QG 3 31 LEU QD . . 4.960 3.705 1.859 4.499 . 0 0 "[ . 1 . 2]" 1
1060 3 12 PRO QG 3 33 THR MG . . 5.480 3.202 2.578 3.998 . 0 0 "[ . 1 . 2]" 1
1061 3 12 PRO QG 4 14 TYR QD . . 5.270 4.683 4.282 5.085 . 0 0 "[ . 1 . 2]" 1
1062 3 12 PRO QG 4 14 TYR QE . . 4.070 3.573 3.002 4.138 0.068 3 0 "[ . 1 . 2]" 1
1063 3 13 CYS CB 3 52 CYS CB . . 3.990 3.656 3.527 4.069 0.079 19 0 "[ . 1 . 2]" 1
1064 3 13 CYS CB 3 52 CYS SG . . 3.100 3.053 2.970 3.121 0.021 14 0 "[ . 1 . 2]" 1
1065 3 13 CYS SG 3 52 CYS CB . . 3.100 3.059 2.933 3.124 0.024 17 0 "[ . 1 . 2]" 1
1066 3 13 CYS SG 3 52 CYS SG . . 2.100 2.029 2.010 2.050 . 0 0 "[ . 1 . 2]" 1
1067 3 14 ARG QB 3 15 PHE QD . . 4.230 2.757 2.258 3.252 . 0 0 "[ . 1 . 2]" 1
1068 3 14 ARG QB 3 15 PHE QE . . 4.860 3.410 2.847 4.319 . 0 0 "[ . 1 . 2]" 1
1069 3 14 ARG QD 3 15 PHE QE . . 4.290 3.690 2.436 4.363 0.073 1 0 "[ . 1 . 2]" 1
1070 3 14 ARG QG 3 15 PHE QD . . 4.460 3.873 2.533 4.507 0.047 5 0 "[ . 1 . 2]" 1
1071 3 14 ARG QG 3 15 PHE QE . . 4.950 4.034 2.639 4.965 0.015 9 0 "[ . 1 . 2]" 1
1072 3 15 PHE H 3 15 PHE HB2 . . 3.990 2.667 2.500 2.792 . 0 0 "[ . 1 . 2]" 1
1073 3 15 PHE H 3 15 PHE QB . . 3.490 2.614 2.461 2.728 . 0 0 "[ . 1 . 2]" 1
1074 3 15 PHE H 3 15 PHE HB3 . . 3.990 3.761 3.666 3.832 . 0 0 "[ . 1 . 2]" 1
1075 3 15 PHE H 3 15 PHE QD . . 4.500 3.087 2.751 3.401 . 0 0 "[ . 1 . 2]" 1
1076 3 15 PHE H 3 15 PHE QE . . 5.190 5.026 4.800 5.217 0.027 20 0 "[ . 1 . 2]" 1
1077 3 15 PHE H 3 16 PHE H . . 4.280 4.263 4.164 4.336 0.056 19 0 "[ . 1 . 2]" 1
1078 3 15 PHE HA 3 15 PHE QD . . 3.870 2.868 2.644 3.058 . 0 0 "[ . 1 . 2]" 1
1079 3 15 PHE HA 3 15 PHE QE . . 4.720 4.650 4.582 4.724 0.004 4 0 "[ . 1 . 2]" 1
1080 3 15 PHE HA 3 16 PHE H . . 3.100 2.246 2.085 2.520 . 0 0 "[ . 1 . 2]" 1
1081 3 15 PHE HA 3 16 PHE QD . . 4.660 3.868 3.541 4.196 . 0 0 "[ . 1 . 2]" 1
1082 3 15 PHE QB 3 16 PHE H . . 3.520 2.802 2.443 3.130 . 0 0 "[ . 1 . 2]" 1
1083 3 15 PHE QD 3 16 PHE H . . 4.210 3.962 3.676 4.233 0.023 3 0 "[ . 1 . 2]" 1
1084 3 16 PHE H 3 16 PHE HB2 . . 3.780 3.624 2.444 3.762 . 0 0 "[ . 1 . 2]" 1
1085 3 16 PHE H 3 16 PHE HB3 . . 3.450 3.436 3.164 3.588 0.138 20 0 "[ . 1 . 2]" 1
1086 3 16 PHE H 3 16 PHE QD . . 3.980 3.044 2.697 3.216 . 0 0 "[ . 1 . 2]" 1
1087 3 16 PHE H 4 21 GLY QA . . 5.070 4.232 3.352 5.081 0.011 19 0 "[ . 1 . 2]" 1
1088 3 16 PHE HB2 3 17 GLU H . . 3.990 3.015 2.658 4.000 0.010 20 0 "[ . 1 . 2]" 1
1089 3 16 PHE HB2 3 52 CYS HB2 . . 5.500 4.147 3.101 5.442 . 0 0 "[ . 1 . 2]" 1
1090 3 16 PHE HB2 3 54 ASP H . . 4.260 3.354 3.011 3.761 . 0 0 "[ . 1 . 2]" 1
1091 3 16 PHE HB2 3 54 ASP HA . . 5.500 2.534 1.871 3.202 . 0 0 "[ . 1 . 2]" 1
1092 3 16 PHE HB3 3 17 GLU H . . 4.000 3.673 3.076 3.999 . 0 0 "[ . 1 . 2]" 1
1093 3 16 PHE HB3 3 54 ASP HA . . 5.500 3.769 2.329 4.514 . 0 0 "[ . 1 . 2]" 1
1094 3 16 PHE QD 3 17 GLU H . . 4.740 4.356 4.046 4.655 . 0 0 "[ . 1 . 2]" 1
1095 3 16 PHE QD 3 54 ASP H . . 4.760 3.944 3.351 4.730 . 0 0 "[ . 1 . 2]" 1
1096 3 16 PHE QD 3 54 ASP QB . . 4.560 2.464 2.103 3.676 . 0 0 "[ . 1 . 2]" 1
1097 3 16 PHE QD 3 55 PRO QD . . 5.070 3.196 2.526 4.134 . 0 0 "[ . 1 . 2]" 1
1098 3 17 GLU H 3 17 GLU HB2 . . 3.720 2.703 2.193 3.615 . 0 0 "[ . 1 . 2]" 1
1099 3 17 GLU H 3 17 GLU HB3 . . 3.730 3.360 2.856 3.608 . 0 0 "[ . 1 . 2]" 1
1100 3 17 GLU H 3 17 GLU HG2 . . 4.060 3.108 1.704 3.873 . 0 0 "[ . 1 . 2]" 1
1101 3 17 GLU H 3 17 GLU HG3 . . 4.060 3.027 2.065 3.766 . 0 0 "[ . 1 . 2]" 1
1102 3 17 GLU H 3 20 VAL QG . . 4.230 4.291 4.143 4.374 0.144 13 0 "[ . 1 . 2]" 1
1103 3 17 GLU H 3 53 ILE HA . . 4.050 3.010 2.540 3.672 . 0 0 "[ . 1 . 2]" 1
1104 3 17 GLU H 3 53 ILE MD . . 4.440 3.971 3.782 4.210 . 0 0 "[ . 1 . 2]" 1
1105 3 17 GLU H 3 54 ASP H . . 4.400 3.827 2.911 4.447 0.047 6 0 "[ . 1 . 2]" 1
1106 3 17 GLU HB2 3 20 VAL QG . . 5.010 2.809 2.355 3.400 . 0 0 "[ . 1 . 2]" 1
1107 3 17 GLU HB3 3 20 VAL QG . . 4.290 3.087 1.894 4.314 0.024 3 0 "[ . 1 . 2]" 1
1108 3 17 GLU HB3 3 53 ILE MG . . 5.500 5.350 4.789 5.752 0.252 8 0 "[ . 1 . 2]" 1
1109 3 17 GLU QG 4 25 SER HA . . 4.560 4.244 3.133 4.766 0.206 8 0 "[ . 1 . 2]" 1
1110 3 17 GLU HG2 3 20 VAL QG . . 4.650 3.804 2.762 4.831 0.181 9 0 "[ . 1 . 2]" 1
1111 3 17 GLU HG3 3 20 VAL QG . . 4.650 3.776 2.042 4.702 0.052 1 0 "[ . 1 . 2]" 1
1112 3 18 SER HA 3 54 ASP H . . 4.680 3.246 2.876 3.947 . 0 0 "[ . 1 . 2]" 1
1113 3 18 SER HA 3 54 ASP HB2 . . 5.500 3.337 2.072 4.138 . 0 0 "[ . 1 . 2]" 1
1114 3 18 SER HA 3 54 ASP HB3 . . 5.500 3.227 2.111 4.308 . 0 0 "[ . 1 . 2]" 1
1115 3 18 SER HA 3 57 LEU MD1 . . 5.500 2.002 1.825 2.552 . 0 0 "[ . 1 . 2]" 1
1116 3 18 SER HA 3 57 LEU MD2 . . 5.500 2.936 2.429 3.579 . 0 0 "[ . 1 . 2]" 1
1117 3 18 SER QB 3 54 ASP H . . 4.540 4.374 3.673 4.665 0.125 17 0 "[ . 1 . 2]" 1
1118 3 18 SER QB 3 54 ASP QB . . 4.760 2.897 2.098 3.394 . 0 0 "[ . 1 . 2]" 1
1119 3 18 SER HB2 3 19 HIS HD2 . . 4.640 3.292 2.021 4.711 0.071 20 0 "[ . 1 . 2]" 1
1120 3 18 SER HB2 3 57 LEU MD2 . . 5.500 3.198 2.291 4.805 . 0 0 "[ . 1 . 2]" 1
1121 3 18 SER HB3 3 19 HIS HD2 . . 4.640 3.858 2.202 4.669 0.029 20 0 "[ . 1 . 2]" 1
1122 3 18 SER HB3 3 57 LEU MD2 . . 5.500 3.438 2.499 4.514 . 0 0 "[ . 1 . 2]" 1
1123 3 19 HIS HA 3 19 HIS HD2 . . 4.720 3.252 2.231 3.864 . 0 0 "[ . 1 . 2]" 1
1124 3 19 HIS HA 3 20 VAL H . . 3.410 2.345 1.979 2.947 . 0 0 "[ . 1 . 2]" 1
1125 3 19 HIS QB 3 19 HIS HE1 . . 4.880 4.361 4.319 4.399 . 0 0 "[ . 1 . 2]" 1
1126 3 19 HIS QB 3 20 VAL H . . 3.970 3.773 3.609 3.873 . 0 0 "[ . 1 . 2]" 1
1127 3 19 HIS HD2 3 57 LEU MD2 . . 4.740 4.341 3.287 4.787 0.047 19 0 "[ . 1 . 2]" 1
1128 3 20 VAL H 3 20 VAL QG . . 3.120 2.300 1.840 2.736 . 0 0 "[ . 1 . 2]" 1
1129 3 20 VAL HA 3 21 ALA H . . 3.450 2.255 2.117 2.341 . 0 0 "[ . 1 . 2]" 1
1130 3 20 VAL HA 3 21 ALA MB . . 5.500 3.961 3.844 4.032 . 0 0 "[ . 1 . 2]" 1
1131 3 20 VAL HB 3 53 ILE MG . . 4.600 4.220 3.141 4.712 0.112 15 0 "[ . 1 . 2]" 1
1132 3 20 VAL HB 3 57 LEU MD1 . . 5.500 4.160 3.291 5.031 . 0 0 "[ . 1 . 2]" 1
1133 3 20 VAL HB 3 59 TRP HZ2 . . 5.500 3.921 2.071 5.222 . 0 0 "[ . 1 . 2]" 1
1134 3 20 VAL HB 4 23 TYS HB2 . . 5.500 4.255 2.521 6.223 0.723 5 1 "[ + 1 . 2]" 1
1135 3 20 VAL QG 3 21 ALA H . . 3.510 2.480 2.275 3.320 . 0 0 "[ . 1 . 2]" 1
1136 3 20 VAL QG 3 24 ASN H . . 5.140 4.538 4.173 5.037 . 0 0 "[ . 1 . 2]" 1
1137 3 20 VAL QG 3 24 ASN HB2 . . 5.500 4.634 3.697 5.515 0.015 15 0 "[ . 1 . 2]" 1
1138 3 20 VAL QG 3 24 ASN HB3 . . 5.340 3.543 2.739 5.016 . 0 0 "[ . 1 . 2]" 1
1139 3 20 VAL QG 3 24 ASN QD . . 4.000 3.344 1.806 4.143 0.143 13 0 "[ . 1 . 2]" 1
1140 3 20 VAL QG 3 25 VAL H . . 4.990 4.950 4.594 5.104 0.114 15 0 "[ . 1 . 2]" 1
1141 3 20 VAL QG 3 54 ASP H . . 4.500 4.138 3.585 4.672 0.172 20 0 "[ . 1 . 2]" 1
1142 3 20 VAL QG 3 59 TRP HE1 . . 4.380 3.456 2.348 4.429 0.049 10 0 "[ . 1 . 2]" 1
1143 3 20 VAL QG 3 59 TRP HH2 . . 3.610 3.533 3.260 3.660 0.050 20 0 "[ . 1 . 2]" 1
1144 3 20 VAL QG 3 59 TRP HZ2 . . 3.580 2.296 1.854 3.086 . 0 0 "[ . 1 . 2]" 1
1145 3 20 VAL QG 4 23 TYS HB2 . . 4.740 3.484 2.644 4.543 . 0 0 "[ . 1 . 2]" 1
1146 3 20 VAL QG 4 23 TYS HB3 . . 5.500 3.321 2.107 4.363 . 0 0 "[ . 1 . 2]" 1
1147 3 21 ALA H 3 21 ALA MB . . 3.310 2.295 2.224 2.404 . 0 0 "[ . 1 . 2]" 1
1148 3 21 ALA H 3 24 ASN HB2 . . 5.010 4.354 3.330 5.186 0.176 8 0 "[ . 1 . 2]" 1
1149 3 21 ALA H 3 24 ASN HB3 . . 4.820 3.685 2.630 4.668 . 0 0 "[ . 1 . 2]" 1
1150 3 21 ALA H 3 24 ASN QD . . 4.870 4.210 2.964 4.911 0.041 20 0 "[ . 1 . 2]" 1
1151 3 21 ALA H 3 25 VAL QG . . 5.440 4.595 4.030 5.269 . 0 0 "[ . 1 . 2]" 1
1152 3 21 ALA HA 3 22 ARG H . . 3.530 2.151 2.015 2.265 . 0 0 "[ . 1 . 2]" 1
1153 3 21 ALA HA 3 59 TRP HE1 . . 4.430 4.122 3.228 4.506 0.076 4 0 "[ . 1 . 2]" 1
1154 3 21 ALA MB 3 22 ARG H . . 3.870 2.957 2.803 3.105 . 0 0 "[ . 1 . 2]" 1
1155 3 21 ALA MB 3 23 ALA H . . 5.500 2.700 2.481 3.097 . 0 0 "[ . 1 . 2]" 1
1156 3 21 ALA MB 3 24 ASN HB2 . . 5.500 2.851 1.854 4.809 . 0 0 "[ . 1 . 2]" 1
1157 3 21 ALA MB 3 24 ASN HB3 . . 5.500 3.011 2.224 3.787 . 0 0 "[ . 1 . 2]" 1
1158 3 21 ALA MB 3 25 VAL QG . . 5.440 4.353 4.012 4.702 . 0 0 "[ . 1 . 2]" 1
1159 3 22 ARG H 3 22 ARG HB2 . . 4.050 2.891 2.073 3.699 . 0 0 "[ . 1 . 2]" 1
1160 3 22 ARG H 3 22 ARG HB3 . . 4.050 2.577 2.324 2.905 . 0 0 "[ . 1 . 2]" 1
1161 3 22 ARG H 3 22 ARG HG2 . . 4.380 3.809 2.259 4.458 0.078 18 0 "[ . 1 . 2]" 1
1162 3 22 ARG H 3 22 ARG HG3 . . 4.380 3.673 2.099 4.452 0.072 14 0 "[ . 1 . 2]" 1
1163 3 22 ARG HA 3 25 VAL H . . 4.620 3.515 2.606 4.487 . 0 0 "[ . 1 . 2]" 1
1164 3 22 ARG HA 3 25 VAL MG1 . . 5.500 2.647 1.879 3.467 . 0 0 "[ . 1 . 2]" 1
1165 3 22 ARG HA 3 25 VAL MG2 . . 5.500 2.707 1.992 3.489 . 0 0 "[ . 1 . 2]" 1
1166 3 22 ARG HA 3 59 TRP HH2 . . 5.410 3.624 3.341 4.046 . 0 0 "[ . 1 . 2]" 1
1167 3 22 ARG HA 3 59 TRP HZ2 . . 5.220 4.018 3.080 4.802 . 0 0 "[ . 1 . 2]" 1
1168 3 22 ARG QB 3 23 ALA H . . 3.670 3.059 2.383 3.721 0.051 12 0 "[ . 1 . 2]" 1
1169 3 22 ARG QB 3 59 TRP HH2 . . 4.910 4.337 3.303 5.069 0.159 6 0 "[ . 1 . 2]" 1
1170 3 22 ARG HB2 3 23 ALA H . . 4.360 3.922 3.592 4.083 . 0 0 "[ . 1 . 2]" 1
1171 3 22 ARG HB3 3 23 ALA H . . 4.360 3.313 2.418 4.359 . 0 0 "[ . 1 . 2]" 1
1172 3 22 ARG QD 3 25 VAL H . . 4.730 4.840 3.860 5.162 0.432 8 0 "[ . 1 . 2]" 1
1173 3 22 ARG QD 3 59 TRP HB2 . . 5.500 4.098 2.631 4.957 . 0 0 "[ . 1 . 2]" 1
1174 3 22 ARG QD 3 59 TRP HB3 . . 5.500 5.160 3.965 5.590 0.090 12 0 "[ . 1 . 2]" 1
1175 3 22 ARG QD 3 63 TYR QE . . 4.360 4.386 4.125 4.446 0.086 2 0 "[ . 1 . 2]" 1
1176 3 23 ALA H 3 23 ALA MB . . 3.010 2.246 2.211 2.279 . 0 0 "[ . 1 . 2]" 1
1177 3 23 ALA H 3 24 ASN H . . 4.080 2.584 2.431 2.748 . 0 0 "[ . 1 . 2]" 1
1178 3 23 ALA HA 3 25 VAL H . . 4.320 3.778 3.506 3.979 . 0 0 "[ . 1 . 2]" 1
1179 3 23 ALA MB 3 24 ASN H . . 3.420 3.110 2.913 3.215 . 0 0 "[ . 1 . 2]" 1
1180 3 23 ALA MB 3 24 ASN HA . . 5.500 4.002 3.894 4.089 . 0 0 "[ . 1 . 2]" 1
1181 3 23 ALA MB 3 25 VAL H . . 5.500 4.519 4.389 4.624 . 0 0 "[ . 1 . 2]" 1
1182 3 24 ASN H 3 24 ASN HB2 . . 3.630 2.837 2.669 3.707 0.077 8 0 "[ . 1 . 2]" 1
1183 3 24 ASN H 3 24 ASN HB3 . . 3.520 2.513 2.239 2.816 . 0 0 "[ . 1 . 2]" 1
1184 3 24 ASN H 3 25 VAL H . . 3.210 2.378 2.262 2.518 . 0 0 "[ . 1 . 2]" 1
1185 3 24 ASN HA 3 45 LYS HB2 . . 5.500 3.558 3.136 4.158 . 0 0 "[ . 1 . 2]" 1
1186 3 24 ASN HA 3 45 LYS HB3 . . 5.500 4.977 4.575 5.502 0.002 4 0 "[ . 1 . 2]" 1
1187 3 24 ASN HA 3 45 LYS HD3 . . 5.500 2.215 1.852 2.760 . 0 0 "[ . 1 . 2]" 1
1188 3 24 ASN HA 3 45 LYS HG2 . . 5.500 4.910 4.512 5.444 . 0 0 "[ . 1 . 2]" 1
1189 3 24 ASN HA 3 45 LYS HG3 . . 5.500 3.735 3.295 4.344 . 0 0 "[ . 1 . 2]" 1
1190 3 24 ASN HB2 3 25 VAL H . . 4.730 4.448 4.314 4.658 . 0 0 "[ . 1 . 2]" 1
1191 3 24 ASN HB2 3 25 VAL QG . . 5.440 4.575 4.332 4.890 . 0 0 "[ . 1 . 2]" 1
1192 3 24 ASN HB2 3 44 LEU QD . . 5.440 4.146 3.414 4.878 . 0 0 "[ . 1 . 2]" 1
1193 3 24 ASN HB2 3 45 LYS HD3 . . 5.500 4.595 3.819 5.114 . 0 0 "[ . 1 . 2]" 1
1194 3 24 ASN HB3 3 25 VAL H . . 4.330 3.653 3.386 4.497 0.167 8 0 "[ . 1 . 2]" 1
1195 3 24 ASN HB3 3 44 LEU QD . . 5.440 3.327 2.518 4.635 . 0 0 "[ . 1 . 2]" 1
1196 3 24 ASN QD 3 44 LEU HB2 . . 4.290 4.222 3.612 4.428 0.138 19 0 "[ . 1 . 2]" 1
1197 3 24 ASN QD 3 44 LEU QD . . 4.170 1.872 1.527 2.380 . 0 0 "[ . 1 . 2]" 1
1198 3 25 VAL H 3 25 VAL MG1 . . 4.290 2.461 2.323 2.622 . 0 0 "[ . 1 . 2]" 1
1199 3 25 VAL H 3 25 VAL MG2 . . 4.290 2.265 2.150 2.382 . 0 0 "[ . 1 . 2]" 1
1200 3 25 VAL HB 3 44 LEU H . . 5.500 5.565 5.507 5.667 0.167 11 0 "[ . 1 . 2]" 1
1201 3 25 VAL QG 3 26 LYS H . . 5.030 3.212 3.095 3.341 . 0 0 "[ . 1 . 2]" 1
1202 3 25 VAL QG 3 42 ALA HA . . 5.440 4.145 3.920 4.501 . 0 0 "[ . 1 . 2]" 1
1203 3 25 VAL QG 3 44 LEU H . . 5.440 4.822 4.623 5.027 . 0 0 "[ . 1 . 2]" 1
1204 3 25 VAL QG 3 59 TRP HH2 . . 3.900 2.268 2.034 2.647 . 0 0 "[ . 1 . 2]" 1
1205 3 25 VAL QG 3 59 TRP HZ2 . . 3.770 3.527 3.077 3.830 0.060 2 0 "[ . 1 . 2]" 1
1206 3 26 LYS H 3 26 LYS HB2 . . 4.160 2.580 2.395 2.753 . 0 0 "[ . 1 . 2]" 1
1207 3 26 LYS H 3 26 LYS QB . . 3.620 2.529 2.362 2.679 . 0 0 "[ . 1 . 2]" 1
1208 3 26 LYS H 3 26 LYS HB3 . . 4.160 3.649 3.584 3.717 . 0 0 "[ . 1 . 2]" 1
1209 3 26 LYS H 3 26 LYS QD . . 4.160 4.061 3.669 4.290 0.130 14 0 "[ . 1 . 2]" 1
1210 3 26 LYS H 3 26 LYS QG . . 3.660 2.176 2.055 2.320 . 0 0 "[ . 1 . 2]" 1
1211 3 26 LYS H 3 27 HIS H . . 3.630 2.262 2.081 2.597 . 0 0 "[ . 1 . 2]" 1
1212 3 26 LYS H 3 43 ARG H . . 5.360 3.561 3.241 3.793 . 0 0 "[ . 1 . 2]" 1
1213 3 26 LYS H 3 43 ARG O . . 2.000 1.733 1.607 1.928 . 0 0 "[ . 1 . 2]" 1
1214 3 26 LYS H 3 45 LYS HG3 . . 5.500 3.544 2.851 3.968 . 0 0 "[ . 1 . 2]" 1
1215 3 26 LYS HA 3 45 LYS HD2 . . 5.500 4.085 2.798 4.706 . 0 0 "[ . 1 . 2]" 1
1216 3 26 LYS HA 3 45 LYS HD3 . . 5.500 5.275 4.141 5.615 0.115 9 0 "[ . 1 . 2]" 1
1217 3 26 LYS HA 3 45 LYS HG2 . . 5.500 3.384 2.616 4.184 . 0 0 "[ . 1 . 2]" 1
1218 3 26 LYS HA 3 45 LYS HG3 . . 5.500 3.554 2.743 4.040 . 0 0 "[ . 1 . 2]" 1
1219 3 26 LYS QB 3 26 LYS QD . . 3.190 2.162 2.004 2.350 . 0 0 "[ . 1 . 2]" 1
1220 3 26 LYS QB 3 26 LYS QE . . 3.470 2.935 2.015 3.541 0.071 19 0 "[ . 1 . 2]" 1
1221 3 26 LYS QB 3 27 HIS HE1 . . 4.470 4.244 3.560 4.612 0.142 9 0 "[ . 1 . 2]" 1
1222 3 26 LYS QB 3 43 ARG H . . 4.450 3.841 3.201 4.282 . 0 0 "[ . 1 . 2]" 1
1223 3 26 LYS QB 3 45 LYS HA . . 5.340 4.297 3.716 4.755 . 0 0 "[ . 1 . 2]" 1
1224 3 26 LYS HB2 3 26 LYS QE . . 4.190 3.172 2.063 3.973 . 0 0 "[ . 1 . 2]" 1
1225 3 26 LYS HB2 3 27 HIS H . . 3.740 2.410 1.822 2.665 . 0 0 "[ . 1 . 2]" 1
1226 3 26 LYS HB3 3 26 LYS QE . . 4.190 3.547 2.830 4.141 . 0 0 "[ . 1 . 2]" 1
1227 3 26 LYS HB3 3 27 HIS H . . 3.740 3.601 3.067 3.798 0.058 1 0 "[ . 1 . 2]" 1
1228 3 26 LYS QD 3 27 HIS H . . 5.500 4.668 3.844 5.253 . 0 0 "[ . 1 . 2]" 1
1229 3 26 LYS QE 3 43 ARG H . . 5.070 4.993 4.286 5.328 0.258 17 0 "[ . 1 . 2]" 1
1230 3 26 LYS QE 3 45 LYS H . . 5.500 4.335 3.818 5.380 . 0 0 "[ . 1 . 2]" 1
1231 3 26 LYS QE 3 45 LYS HA . . 5.280 2.762 1.764 4.147 . 0 0 "[ . 1 . 2]" 1
1232 3 26 LYS QG 3 27 HIS H . . 3.470 3.611 3.538 3.703 0.233 9 0 "[ . 1 . 2]" 1
1233 3 26 LYS QG 3 45 LYS H . . 3.720 3.485 3.129 3.824 0.104 17 0 "[ . 1 . 2]" 1
1234 3 26 LYS QG 3 45 LYS HA . . 4.590 2.330 1.826 2.992 . 0 0 "[ . 1 . 2]" 1
1235 3 26 LYS N 3 43 ARG O . . 3.000 2.692 2.590 2.882 . 0 0 "[ . 1 . 2]" 1
1236 3 27 HIS H 3 42 ALA HA . . 4.460 4.285 4.067 4.518 0.058 14 0 "[ . 1 . 2]" 1
1237 3 27 HIS H 3 42 ALA MB . . 5.500 3.716 3.450 4.383 . 0 0 "[ . 1 . 2]" 1
1238 3 27 HIS H 3 43 ARG H . . 3.980 3.029 2.813 3.228 . 0 0 "[ . 1 . 2]" 1
1239 3 27 HIS HB2 3 28 LEU H . . 4.280 2.075 1.967 2.278 . 0 0 "[ . 1 . 2]" 1
1240 3 27 HIS HB3 3 28 LEU H . . 4.090 3.587 3.488 3.676 . 0 0 "[ . 1 . 2]" 1
1241 3 27 HIS HE1 3 29 LYS QE . . 4.660 4.682 4.161 4.840 0.180 18 0 "[ . 1 . 2]" 1
1242 3 27 HIS HE1 3 43 ARG QB . . 4.000 3.718 2.833 4.182 0.182 3 0 "[ . 1 . 2]" 1
1243 3 27 HIS HE1 3 43 ARG QD . . 4.260 3.536 2.167 4.383 0.123 15 0 "[ . 1 . 2]" 1
1244 3 27 HIS HE1 3 43 ARG QG . . 4.010 3.643 2.512 4.102 0.092 10 0 "[ . 1 . 2]" 1
1245 3 28 LEU H 3 28 LEU MD1 . . 4.610 3.785 2.516 4.174 . 0 0 "[ . 1 . 2]" 1
1246 3 28 LEU H 3 28 LEU QD . . 3.930 3.235 2.498 3.454 . 0 0 "[ . 1 . 2]" 1
1247 3 28 LEU H 3 28 LEU MD2 . . 4.610 3.765 3.516 4.296 . 0 0 "[ . 1 . 2]" 1
1248 3 28 LEU H 3 28 LEU HG . . 4.220 3.191 2.787 4.248 0.028 20 0 "[ . 1 . 2]" 1
1249 3 28 LEU HA 3 43 ARG H . . 5.500 4.306 3.621 4.844 . 0 0 "[ . 1 . 2]" 1
1250 3 28 LEU HB2 3 63 TYR QE . . 4.350 4.127 3.666 4.406 0.056 5 0 "[ . 1 . 2]" 1
1251 3 28 LEU HB3 3 29 LYS H . . 5.500 2.922 2.448 3.215 . 0 0 "[ . 1 . 2]" 1
1252 3 28 LEU QD 3 29 LYS H . . 3.690 3.618 3.369 3.990 0.300 18 0 "[ . 1 . 2]" 1
1253 3 28 LEU QD 3 42 ALA HA . . 5.340 3.538 2.660 4.693 . 0 0 "[ . 1 . 2]" 1
1254 3 28 LEU QD 3 42 ALA MB . . 3.830 2.503 1.965 3.774 . 0 0 "[ . 1 . 2]" 1
1255 3 28 LEU QD 3 59 TRP HH2 . . 4.550 3.117 2.234 3.846 . 0 0 "[ . 1 . 2]" 1
1256 3 28 LEU QD 3 59 TRP HZ2 . . 5.440 4.906 4.129 5.474 0.034 20 0 "[ . 1 . 2]" 1
1257 3 28 LEU QD 3 59 TRP HZ3 . . 4.650 2.166 1.871 2.588 . 0 0 "[ . 1 . 2]" 1
1258 3 28 LEU QD 3 60 ILE QG . . 4.240 3.710 3.456 3.947 . 0 0 "[ . 1 . 2]" 1
1259 3 28 LEU QD 3 63 TYR HB2 . . 5.440 3.764 3.537 3.979 . 0 0 "[ . 1 . 2]" 1
1260 3 28 LEU QD 3 63 TYR HB3 . . 5.440 3.257 2.947 3.485 . 0 0 "[ . 1 . 2]" 1
1261 3 28 LEU QD 3 63 TYR QD . . 3.970 2.696 2.314 2.947 . 0 0 "[ . 1 . 2]" 1
1262 3 28 LEU QD 3 63 TYR QE . . 4.330 2.763 2.548 3.108 . 0 0 "[ . 1 . 2]" 1
1263 3 28 LEU QD 3 64 LEU H . . 4.580 4.693 4.605 4.766 0.186 1 0 "[ . 1 . 2]" 1
1264 3 28 LEU MD1 3 29 LYS H . . 4.910 4.766 4.394 4.954 0.044 8 0 "[ . 1 . 2]" 1
1265 3 28 LEU MD1 3 59 TRP HH2 . . 5.260 4.600 3.773 5.271 0.011 14 0 "[ . 1 . 2]" 1
1266 3 28 LEU MD1 3 59 TRP HZ3 . . 5.500 3.046 2.290 3.720 . 0 0 "[ . 1 . 2]" 1
1267 3 28 LEU MD2 3 29 LYS H . . 4.910 3.778 3.458 4.540 . 0 0 "[ . 1 . 2]" 1
1268 3 28 LEU MD2 3 59 TRP HH2 . . 5.260 3.337 2.244 4.924 . 0 0 "[ . 1 . 2]" 1
1269 3 28 LEU MD2 3 59 TRP HZ3 . . 5.500 2.398 1.948 3.529 . 0 0 "[ . 1 . 2]" 1
1270 3 29 LYS H 3 29 LYS HG2 . . 4.730 4.164 2.886 4.756 0.026 15 0 "[ . 1 . 2]" 1
1271 3 29 LYS H 3 29 LYS HG3 . . 4.270 4.346 3.634 4.502 0.232 18 0 "[ . 1 . 2]" 1
1272 3 29 LYS H 3 30 ILE H . . 4.880 4.163 4.062 4.382 . 0 0 "[ . 1 . 2]" 1
1273 3 29 LYS H 3 40 ILE MD . . 5.500 5.035 4.124 5.537 0.037 14 0 "[ . 1 . 2]" 1
1274 3 29 LYS H 3 40 ILE MG . . 5.500 2.682 2.167 3.179 . 0 0 "[ . 1 . 2]" 1
1275 3 29 LYS H 3 41 VAL H . . 4.240 2.840 2.427 3.011 . 0 0 "[ . 1 . 2]" 1
1276 3 29 LYS H 3 41 VAL MG1 . . 5.500 4.771 4.296 5.260 . 0 0 "[ . 1 . 2]" 1
1277 3 29 LYS H 3 41 VAL MG2 . . 5.500 4.440 3.152 5.128 . 0 0 "[ . 1 . 2]" 1
1278 3 29 LYS H 3 41 VAL O . . 2.000 1.960 1.747 2.140 0.140 16 0 "[ . 1 . 2]" 1
1279 3 29 LYS H 3 42 ALA HA . . 5.500 3.466 3.142 3.805 . 0 0 "[ . 1 . 2]" 1
1280 3 29 LYS HA 3 29 LYS HD2 . . 5.500 4.744 4.013 5.578 0.078 19 0 "[ . 1 . 2]" 1
1281 3 29 LYS HA 3 29 LYS HD3 . . 5.500 3.910 2.595 4.750 . 0 0 "[ . 1 . 2]" 1
1282 3 29 LYS HA 3 29 LYS HE2 . . 5.500 5.399 4.262 5.734 0.234 17 0 "[ . 1 . 2]" 1
1283 3 29 LYS HA 3 29 LYS HE3 . . 5.500 4.422 3.261 5.204 . 0 0 "[ . 1 . 2]" 1
1284 3 29 LYS QB 3 30 ILE H . . 5.500 3.774 3.022 3.992 . 0 0 "[ . 1 . 2]" 1
1285 3 29 LYS QB 3 41 VAL H . . 4.280 3.428 2.074 4.410 0.130 19 0 "[ . 1 . 2]" 1
1286 3 29 LYS HD2 3 29 LYS HG2 . . 2.880 2.340 2.274 2.465 . 0 0 "[ . 1 . 2]" 1
1287 3 29 LYS HD2 4 14 TYR QD . . 5.500 3.525 3.043 4.383 . 0 0 "[ . 1 . 2]" 1
1288 3 29 LYS HD3 4 14 TYR QD . . 4.850 4.840 4.047 5.041 0.191 13 0 "[ . 1 . 2]" 1
1289 3 29 LYS QE 3 31 LEU QD . . 4.760 3.766 2.935 4.424 . 0 0 "[ . 1 . 2]" 1
1290 3 29 LYS HG2 3 30 ILE H . . 5.500 3.944 3.302 5.147 . 0 0 "[ . 1 . 2]" 1
1291 3 29 LYS HG2 4 14 TYR QE . . 3.920 3.690 2.268 4.064 0.144 19 0 "[ . 1 . 2]" 1
1292 3 29 LYS HG3 4 14 TYR QE . . 5.310 4.693 2.804 5.349 0.039 10 0 "[ . 1 . 2]" 1
1293 3 29 LYS N 3 41 VAL O . . 3.000 2.785 2.661 2.913 . 0 0 "[ . 1 . 2]" 1
1294 3 29 LYS O 3 41 VAL H . . 2.000 1.718 1.612 1.976 . 0 0 "[ . 1 . 2]" 1
1295 3 29 LYS O 3 41 VAL N . . 3.000 2.681 2.577 2.907 . 0 0 "[ . 1 . 2]" 1
1296 3 30 ILE H 3 30 ILE MD . . 4.040 3.904 3.801 4.065 0.025 3 0 "[ . 1 . 2]" 1
1297 3 30 ILE H 3 30 ILE QG . . 4.050 2.433 2.302 2.694 . 0 0 "[ . 1 . 2]" 1
1298 3 30 ILE H 3 30 ILE MG . . 4.060 3.864 3.839 3.927 . 0 0 "[ . 1 . 2]" 1
1299 3 30 ILE HA 3 40 ILE MD . . 5.500 4.143 2.700 4.947 . 0 0 "[ . 1 . 2]" 1
1300 3 30 ILE HA 3 40 ILE MG . . 5.500 3.377 2.813 4.183 . 0 0 "[ . 1 . 2]" 1
1301 3 30 ILE HB 3 31 LEU H . . 3.890 3.962 3.939 3.995 0.105 7 0 "[ . 1 . 2]" 1
1302 3 30 ILE MD 3 30 ILE MG . . 3.800 1.887 1.845 1.914 . 0 0 "[ . 1 . 2]" 1
1303 3 30 ILE MD 3 31 LEU H . . 5.500 5.064 5.006 5.130 . 0 0 "[ . 1 . 2]" 1
1304 3 30 ILE QG 3 31 LEU H . . 4.810 4.260 4.165 4.328 . 0 0 "[ . 1 . 2]" 1
1305 3 30 ILE MG 3 31 LEU H . . 3.930 2.551 2.499 2.677 . 0 0 "[ . 1 . 2]" 1
1306 3 30 ILE MG 3 38 CYS HA . . 5.500 3.883 2.950 4.590 . 0 0 "[ . 1 . 2]" 1
1307 3 30 ILE MG 3 40 ILE MD . . 3.990 3.074 2.088 3.593 . 0 0 "[ . 1 . 2]" 1
1308 3 30 ILE MG 3 40 ILE QG . . 4.910 2.602 2.012 4.097 . 0 0 "[ . 1 . 2]" 1
1309 3 31 LEU H 3 31 LEU QD . . 3.920 2.853 2.305 3.024 . 0 0 "[ . 1 . 2]" 1
1310 3 31 LEU H 3 39 GLN H . . 3.560 3.354 2.588 3.663 0.103 14 0 "[ . 1 . 2]" 1
1311 3 31 LEU H 3 39 GLN QB . . 5.500 3.558 2.636 3.876 . 0 0 "[ . 1 . 2]" 1
1312 3 31 LEU HA 3 39 GLN QB . . 5.500 5.347 4.432 5.627 0.127 8 0 "[ . 1 . 2]" 1
1313 3 31 LEU QB 4 14 TYR QD . . 3.480 3.512 3.210 3.669 0.189 2 0 "[ . 1 . 2]" 1
1314 3 31 LEU QB 4 14 TYR QE . . 3.240 3.283 2.965 3.469 0.229 3 0 "[ . 1 . 2]" 1
1315 3 31 LEU QD 3 32 ASN H . . 4.260 3.737 2.655 4.287 0.027 9 0 "[ . 1 . 2]" 1
1316 3 31 LEU QD 4 14 TYR HB2 . . 3.730 2.554 2.085 3.020 . 0 0 "[ . 1 . 2]" 1
1317 3 31 LEU QD 4 14 TYR HB3 . . 3.970 2.722 2.123 3.510 . 0 0 "[ . 1 . 2]" 1
1318 3 31 LEU QD 4 14 TYR QD . . 2.950 2.346 1.879 2.678 . 0 0 "[ . 1 . 2]" 1
1319 3 31 LEU QD 4 14 TYR QE . . 2.830 2.631 2.176 2.870 0.040 14 0 "[ . 1 . 2]" 1
1320 3 31 LEU MD1 3 32 ASN H . . 5.500 4.260 2.686 5.029 . 0 0 "[ . 1 . 2]" 1
1321 3 31 LEU MD1 4 14 TYR QD . . 3.690 2.945 2.401 3.489 . 0 0 "[ . 1 . 2]" 1
1322 3 31 LEU MD1 4 14 TYR QE . . 3.310 3.008 2.541 3.537 0.227 14 0 "[ . 1 . 2]" 1
1323 3 31 LEU MD2 3 32 ASN H . . 5.500 4.428 3.805 4.973 . 0 0 "[ . 1 . 2]" 1
1324 3 31 LEU MD2 4 14 TYR QD . . 3.690 2.725 1.894 3.550 . 0 0 "[ . 1 . 2]" 1
1325 3 31 LEU MD2 4 14 TYR QE . . 3.310 3.041 2.275 3.387 0.077 12 0 "[ . 1 . 2]" 1
1326 3 32 ASN HA 3 33 THR H . . 3.480 2.149 2.079 2.246 . 0 0 "[ . 1 . 2]" 1
1327 3 33 THR H 3 33 THR MG . . 4.290 2.808 2.383 3.792 . 0 0 "[ . 1 . 2]" 1
1328 3 33 THR HB 3 34 PRO QD . . 5.500 2.512 1.857 3.896 . 0 0 "[ . 1 . 2]" 1
1329 3 33 THR MG 3 34 PRO QD . . 5.200 2.927 2.163 3.488 . 0 0 "[ . 1 . 2]" 1
1330 3 33 THR MG 3 36 CYS HB2 . . 5.500 4.432 4.188 5.152 . 0 0 "[ . 1 . 2]" 1
1331 3 33 THR MG 3 36 CYS HB3 . . 5.500 5.518 4.984 5.622 0.122 4 0 "[ . 1 . 2]" 1
1332 3 33 THR MG 3 39 GLN QE . . 5.340 4.634 3.829 5.461 0.121 17 0 "[ . 1 . 2]" 1
1333 3 33 THR MG 4 14 TYR QD . . 4.050 3.895 2.362 4.255 0.205 4 0 "[ . 1 . 2]" 1
1334 3 33 THR MG 4 16 GLU HB2 . . 3.640 2.828 1.757 3.941 0.301 19 0 "[ . 1 . 2]" 1
1335 3 33 THR MG 4 17 GLU HA . . 4.050 4.186 4.058 4.374 0.324 12 0 "[ . 1 . 2]" 1
1336 3 36 CYS H 3 36 CYS HB2 . . 4.050 2.662 2.397 3.199 . 0 0 "[ . 1 . 2]" 1
1337 3 36 CYS H 3 36 CYS HB3 . . 3.830 3.653 2.889 3.843 0.013 17 0 "[ . 1 . 2]" 1
1338 3 36 CYS HB2 3 39 GLN HE21 . . 4.620 4.170 3.583 4.816 0.196 9 0 "[ . 1 . 2]" 1
1339 3 36 CYS HB2 3 39 GLN QE . . 4.010 3.234 2.327 4.049 0.039 5 0 "[ . 1 . 2]" 1
1340 3 36 CYS HB2 3 39 GLN HE22 . . 4.620 3.458 2.355 4.674 0.054 11 0 "[ . 1 . 2]" 1
1341 3 37 ALA MB 3 38 CYS H . . 3.610 1.964 1.796 2.398 . 0 0 "[ . 1 . 2]" 1
1342 3 37 ALA MB 3 39 GLN HE21 . . 5.500 5.195 4.489 5.615 0.115 20 0 "[ . 1 . 2]" 1
1343 3 37 ALA MB 3 39 GLN HE22 . . 5.500 4.810 3.789 5.649 0.149 16 0 "[ . 1 . 2]" 1
1344 3 37 ALA MB 3 56 LYS QD . . 5.390 4.921 3.900 5.569 0.179 11 0 "[ . 1 . 2]" 1
1345 3 38 CYS H 3 38 CYS HB2 . . 4.150 3.036 2.388 3.535 . 0 0 "[ . 1 . 2]" 1
1346 3 38 CYS H 3 38 CYS QB . . 3.650 2.614 2.193 2.981 . 0 0 "[ . 1 . 2]" 1
1347 3 38 CYS H 3 38 CYS HB3 . . 4.150 2.933 2.428 3.600 . 0 0 "[ . 1 . 2]" 1
1348 3 38 CYS HA 3 39 GLN H . . 3.350 2.258 2.101 2.492 . 0 0 "[ . 1 . 2]" 1
1349 3 38 CYS HB2 3 39 GLN H . . 4.390 4.163 3.995 4.365 . 0 0 "[ . 1 . 2]" 1
1350 3 38 CYS HB2 3 55 PRO HB2 . . 5.500 4.874 3.673 5.523 0.023 3 0 "[ . 1 . 2]" 1
1351 3 38 CYS HB3 3 39 GLN H . . 4.390 3.909 3.064 4.114 . 0 0 "[ . 1 . 2]" 1
1352 3 38 CYS HB3 3 55 PRO HB2 . . 5.500 3.557 2.861 5.300 . 0 0 "[ . 1 . 2]" 1
1353 3 39 GLN H 3 39 GLN QB . . 3.800 2.676 2.416 2.822 . 0 0 "[ . 1 . 2]" 1
1354 3 39 GLN H 3 39 GLN QE . . 5.110 3.387 1.909 4.978 . 0 0 "[ . 1 . 2]" 1
1355 3 39 GLN H 3 39 GLN QG . . 4.270 3.905 2.190 4.220 . 0 0 "[ . 1 . 2]" 1
1356 3 39 GLN H 3 55 PRO HG3 . . 3.980 4.044 3.942 4.120 0.140 9 0 "[ . 1 . 2]" 1
1357 3 39 GLN QB 3 39 GLN HE22 . . 4.340 3.344 3.072 3.598 . 0 0 "[ . 1 . 2]" 1
1358 3 39 GLN QB 3 40 ILE H . . 4.550 3.277 2.611 3.827 . 0 0 "[ . 1 . 2]" 1
1359 3 39 GLN QE 3 41 VAL QG . . 5.270 5.053 4.265 5.353 0.083 16 0 "[ . 1 . 2]" 1
1360 3 39 GLN QE 3 55 PRO HG3 . . 4.850 4.860 3.980 5.031 0.181 9 0 "[ . 1 . 2]" 1
1361 3 40 ILE H 3 40 ILE HB . . 3.690 2.533 2.462 2.574 . 0 0 "[ . 1 . 2]" 1
1362 3 40 ILE H 3 40 ILE MD . . 3.800 3.757 3.366 3.882 0.082 18 0 "[ . 1 . 2]" 1
1363 3 40 ILE H 3 40 ILE MG . . 3.800 3.796 3.756 3.814 0.014 7 0 "[ . 1 . 2]" 1
1364 3 40 ILE H 3 53 ILE H . . 5.500 3.775 3.394 4.208 . 0 0 "[ . 1 . 2]" 1
1365 3 40 ILE H 3 55 PRO HG3 . . 5.500 3.604 2.985 3.960 . 0 0 "[ . 1 . 2]" 1
1366 3 40 ILE HA 3 41 VAL H . . 3.460 2.120 2.015 2.208 . 0 0 "[ . 1 . 2]" 1
1367 3 40 ILE HB 3 41 VAL H . . 3.900 3.968 3.938 4.043 0.143 19 0 "[ . 1 . 2]" 1
1368 3 40 ILE HB 3 53 ILE H . . 4.620 3.601 2.899 4.138 . 0 0 "[ . 1 . 2]" 1
1369 3 40 ILE HB 3 53 ILE HB . . 5.500 2.447 1.961 3.251 . 0 0 "[ . 1 . 2]" 1
1370 3 40 ILE HB 3 53 ILE MG . . 4.900 3.733 3.258 4.514 . 0 0 "[ . 1 . 2]" 1
1371 3 40 ILE HB 3 60 ILE QG . . 5.340 3.963 3.527 4.270 . 0 0 "[ . 1 . 2]" 1
1372 3 40 ILE MD 3 41 VAL H . . 5.500 4.711 3.826 5.181 . 0 0 "[ . 1 . 2]" 1
1373 3 40 ILE MD 3 53 ILE HB . . 5.250 4.206 3.567 4.749 . 0 0 "[ . 1 . 2]" 1
1374 3 40 ILE MD 3 60 ILE MD . . 3.940 2.662 2.075 3.403 . 0 0 "[ . 1 . 2]" 1
1375 3 40 ILE MD 3 60 ILE QG . . 4.410 3.470 2.893 4.420 0.010 15 0 "[ . 1 . 2]" 1
1376 3 40 ILE MD 3 60 ILE MG . . 3.990 2.138 1.843 2.936 . 0 0 "[ . 1 . 2]" 1
1377 3 40 ILE QG 3 41 VAL H . . 5.500 4.277 4.025 4.701 . 0 0 "[ . 1 . 2]" 1
1378 3 40 ILE QG 3 60 ILE QG . . 5.340 4.319 2.617 5.212 . 0 0 "[ . 1 . 2]" 1
1379 3 40 ILE MG 3 41 VAL H . . 4.890 2.545 2.432 2.773 . 0 0 "[ . 1 . 2]" 1
1380 3 40 ILE MG 3 53 ILE H . . 5.500 3.939 3.248 4.319 . 0 0 "[ . 1 . 2]" 1
1381 3 40 ILE MG 3 53 ILE HB . . 5.260 2.996 2.275 3.588 . 0 0 "[ . 1 . 2]" 1
1382 3 40 ILE MG 3 53 ILE QG . . 5.130 3.150 2.628 3.601 . 0 0 "[ . 1 . 2]" 1
1383 3 40 ILE MG 3 55 PRO QD . . 5.500 5.291 4.858 5.563 0.063 17 0 "[ . 1 . 2]" 1
1384 3 40 ILE MG 3 60 ILE QG . . 5.340 3.987 3.070 4.460 . 0 0 "[ . 1 . 2]" 1
1385 3 40 ILE O 3 53 ILE H . . 2.000 1.700 1.617 1.805 . 0 0 "[ . 1 . 2]" 1
1386 3 40 ILE O 3 53 ILE N . . 3.000 2.647 2.578 2.739 . 0 0 "[ . 1 . 2]" 1
1387 3 41 VAL H 3 41 VAL QG . . 3.980 2.481 2.041 2.787 . 0 0 "[ . 1 . 2]" 1
1388 3 41 VAL HA 3 52 CYS HA . . 5.500 2.063 1.858 2.371 . 0 0 "[ . 1 . 2]" 1
1389 3 41 VAL HA 3 53 ILE H . . 4.230 2.515 2.243 2.922 . 0 0 "[ . 1 . 2]" 1
1390 3 41 VAL MG1 3 42 ALA H . . 4.070 2.869 2.274 3.870 . 0 0 "[ . 1 . 2]" 1
1391 3 41 VAL MG2 3 42 ALA H . . 4.070 3.950 3.458 4.113 0.043 5 0 "[ . 1 . 2]" 1
1392 3 42 ALA H 3 51 VAL H . . 4.290 3.259 2.992 3.496 . 0 0 "[ . 1 . 2]" 1
1393 3 42 ALA H 3 51 VAL O . . 2.000 1.843 1.713 1.998 . 0 0 "[ . 1 . 2]" 1
1394 3 42 ALA H 3 53 ILE H . . 4.690 3.788 3.530 4.067 . 0 0 "[ . 1 . 2]" 1
1395 3 42 ALA HA 3 43 ARG H . . 3.310 2.206 2.049 2.316 . 0 0 "[ . 1 . 2]" 1
1396 3 42 ALA MB 3 43 ARG H . . 3.430 2.757 2.611 2.865 . 0 0 "[ . 1 . 2]" 1
1397 3 42 ALA MB 3 51 VAL H . . 4.350 3.667 3.444 3.867 . 0 0 "[ . 1 . 2]" 1
1398 3 42 ALA MB 3 51 VAL HB . . 5.500 5.362 5.039 5.579 0.079 18 0 "[ . 1 . 2]" 1
1399 3 42 ALA MB 3 51 VAL MG2 . . 3.780 3.006 2.674 3.270 . 0 0 "[ . 1 . 2]" 1
1400 3 42 ALA MB 3 53 ILE H . . 4.370 4.391 4.321 4.468 0.098 10 0 "[ . 1 . 2]" 1
1401 3 42 ALA MB 3 59 TRP HH2 . . 4.800 3.235 2.700 3.727 . 0 0 "[ . 1 . 2]" 1
1402 3 42 ALA MB 3 59 TRP HZ2 . . 4.980 4.707 4.221 4.996 0.016 16 0 "[ . 1 . 2]" 1
1403 3 42 ALA N 3 51 VAL O . . 3.000 2.814 2.681 2.977 . 0 0 "[ . 1 . 2]" 1
1404 3 42 ALA O 3 51 VAL H . . 2.000 1.994 1.769 2.066 0.066 13 0 "[ . 1 . 2]" 1
1405 3 42 ALA O 3 51 VAL N . . 3.000 2.888 2.741 2.984 . 0 0 "[ . 1 . 2]" 1
1406 3 43 ARG H 3 43 ARG QB . . 3.760 2.368 2.098 2.576 . 0 0 "[ . 1 . 2]" 1
1407 3 43 ARG H 3 43 ARG QD . . 5.500 4.286 4.143 4.456 . 0 0 "[ . 1 . 2]" 1
1408 3 43 ARG H 3 51 VAL H . . 5.500 5.053 4.793 5.168 . 0 0 "[ . 1 . 2]" 1
1409 3 43 ARG HA 3 50 GLN HA . . 5.500 2.308 1.951 2.889 . 0 0 "[ . 1 . 2]" 1
1410 3 43 ARG HA 3 50 GLN QG . . 5.500 3.786 2.056 4.720 . 0 0 "[ . 1 . 2]" 1
1411 3 43 ARG HA 3 51 VAL H . . 4.310 3.535 2.992 3.902 . 0 0 "[ . 1 . 2]" 1
1412 3 43 ARG HA 3 51 VAL MG2 . . 5.500 4.727 3.847 5.312 . 0 0 "[ . 1 . 2]" 1
1413 3 43 ARG QB 3 44 LEU H . . 4.210 3.304 2.922 3.921 . 0 0 "[ . 1 . 2]" 1
1414 3 43 ARG QB 3 50 GLN QG . . 5.500 4.551 2.403 5.529 0.029 4 0 "[ . 1 . 2]" 1
1415 3 43 ARG QD 3 44 LEU H . . 4.590 4.078 2.462 4.741 0.151 11 0 "[ . 1 . 2]" 1
1416 3 43 ARG QD 3 50 GLN HB2 . . 5.500 4.445 2.941 5.601 0.101 3 0 "[ . 1 . 2]" 1
1417 3 43 ARG QD 3 50 GLN HB3 . . 5.500 3.598 1.859 5.064 . 0 0 "[ . 1 . 2]" 1
1418 3 43 ARG QD 3 50 GLN QG . . 5.500 3.890 1.889 5.521 0.021 9 0 "[ . 1 . 2]" 1
1419 3 44 LEU H 3 44 LEU HB2 . . 3.670 2.329 2.155 2.457 . 0 0 "[ . 1 . 2]" 1
1420 3 44 LEU H 3 44 LEU HB3 . . 3.970 3.471 2.407 3.643 . 0 0 "[ . 1 . 2]" 1
1421 3 44 LEU H 3 44 LEU MD1 . . 4.020 3.541 2.117 4.140 0.120 20 0 "[ . 1 . 2]" 1
1422 3 44 LEU H 3 44 LEU QD . . 3.520 2.929 2.107 3.605 0.085 17 0 "[ . 1 . 2]" 1
1423 3 44 LEU H 3 44 LEU MD2 . . 4.020 3.413 2.230 4.109 0.089 17 0 "[ . 1 . 2]" 1
1424 3 44 LEU H 3 44 LEU HG . . 5.500 3.057 2.294 4.313 . 0 0 "[ . 1 . 2]" 1
1425 3 44 LEU H 3 50 GLN HA . . 4.550 2.570 2.088 3.153 . 0 0 "[ . 1 . 2]" 1
1426 3 44 LEU H 3 51 VAL H . . 4.520 3.928 3.674 4.401 . 0 0 "[ . 1 . 2]" 1
1427 3 44 LEU HA 3 44 LEU QD . . 4.250 2.133 1.935 2.824 . 0 0 "[ . 1 . 2]" 1
1428 3 44 LEU HA 3 45 LYS H . . 3.380 2.220 2.080 2.340 . 0 0 "[ . 1 . 2]" 1
1429 3 44 LEU HB2 3 45 LYS H . . 5.500 3.878 3.640 4.407 . 0 0 "[ . 1 . 2]" 1
1430 3 44 LEU HB2 3 49 ARG H . . 3.080 2.934 2.612 3.178 0.098 17 0 "[ . 1 . 2]" 1
1431 3 44 LEU HB3 3 45 LYS H . . 4.120 2.820 2.309 4.132 0.012 20 0 "[ . 1 . 2]" 1
1432 3 44 LEU HB3 3 49 ARG H . . 4.090 4.023 2.420 4.261 0.171 13 0 "[ . 1 . 2]" 1
1433 3 44 LEU QD 3 45 LYS H . . 3.490 3.205 2.061 3.758 0.268 18 0 "[ . 1 . 2]" 1
1434 3 44 LEU QD 3 48 ASN QB . . 5.280 2.720 1.873 5.105 . 0 0 "[ . 1 . 2]" 1
1435 3 44 LEU QD 3 49 ARG H . . 4.050 3.002 2.430 3.726 . 0 0 "[ . 1 . 2]" 1
1436 3 44 LEU QD 3 49 ARG HA . . 5.440 4.825 4.240 5.463 0.023 10 0 "[ . 1 . 2]" 1
1437 3 44 LEU QD 3 49 ARG QB . . 5.380 4.736 3.708 5.376 . 0 0 "[ . 1 . 2]" 1
1438 3 44 LEU QD 3 49 ARG QD . . 4.720 3.445 2.471 4.587 . 0 0 "[ . 1 . 2]" 1
1439 3 44 LEU QD 3 50 GLN HA . . 5.440 3.600 2.029 4.858 . 0 0 "[ . 1 . 2]" 1
1440 3 44 LEU QD 3 51 VAL H . . 5.440 3.526 2.632 4.677 . 0 0 "[ . 1 . 2]" 1
1441 3 44 LEU QD 3 51 VAL HB . . 5.310 4.207 3.845 5.370 0.060 20 0 "[ . 1 . 2]" 1
1442 3 44 LEU MD1 3 45 LYS H . . 4.180 4.124 2.135 4.357 0.177 5 0 "[ . 1 . 2]" 1
1443 3 44 LEU MD2 3 45 LYS H . . 4.180 3.474 2.065 4.242 0.062 18 0 "[ . 1 . 2]" 1
1444 3 44 LEU HG 3 49 ARG H . . 5.500 4.297 2.539 5.563 0.063 18 0 "[ . 1 . 2]" 1
1445 3 44 LEU HG 3 51 VAL MG1 . . 4.660 3.490 2.535 4.739 0.079 14 0 "[ . 1 . 2]" 1
1446 3 44 LEU HG 3 51 VAL MG2 . . 5.060 3.162 2.196 5.146 0.086 20 0 "[ . 1 . 2]" 1
1447 3 45 LYS H 3 45 LYS QB . . 3.450 2.328 2.235 2.419 . 0 0 "[ . 1 . 2]" 1
1448 3 45 LYS H 3 45 LYS HD3 . . 3.380 3.493 3.405 3.543 0.163 7 0 "[ . 1 . 2]" 1
1449 3 45 LYS H 3 45 LYS QE . . 4.560 4.513 4.241 4.587 0.027 5 0 "[ . 1 . 2]" 1
1450 3 45 LYS H 3 45 LYS HG2 . . 5.500 3.684 3.555 3.819 . 0 0 "[ . 1 . 2]" 1
1451 3 45 LYS H 3 45 LYS HG3 . . 3.840 2.323 2.170 2.456 . 0 0 "[ . 1 . 2]" 1
1452 3 45 LYS HA 3 45 LYS HD2 . . 5.500 4.686 4.589 4.817 . 0 0 "[ . 1 . 2]" 1
1453 3 45 LYS HA 3 45 LYS HD3 . . 5.500 4.407 4.298 4.510 . 0 0 "[ . 1 . 2]" 1
1454 3 45 LYS HA 3 45 LYS QE . . 5.500 4.168 3.972 4.427 . 0 0 "[ . 1 . 2]" 1
1455 3 48 ASN HA 3 48 ASN HD21 . . 4.550 3.637 1.922 4.462 . 0 0 "[ . 1 . 2]" 1
1456 3 48 ASN HA 3 48 ASN HD22 . . 4.550 4.238 3.538 4.626 0.076 5 0 "[ . 1 . 2]" 1
1457 3 48 ASN QB 3 49 ARG H . . 3.630 2.065 1.609 2.778 . 0 0 "[ . 1 . 2]" 1
1458 3 48 ASN HB2 3 48 ASN HD22 . . 3.980 3.681 3.447 4.016 0.036 16 0 "[ . 1 . 2]" 1
1459 3 48 ASN HB2 3 49 ARG H . . 4.140 2.919 1.797 3.961 . 0 0 "[ . 1 . 2]" 1
1460 3 48 ASN HB3 3 48 ASN HD22 . . 3.980 3.700 3.439 4.032 0.052 19 0 "[ . 1 . 2]" 1
1461 3 48 ASN HB3 3 49 ARG H . . 4.140 2.286 1.625 2.866 . 0 0 "[ . 1 . 2]" 1
1462 3 49 ARG H 3 49 ARG HD2 . . 4.290 3.398 2.602 4.306 0.016 20 0 "[ . 1 . 2]" 1
1463 3 49 ARG H 3 49 ARG QD . . 3.730 2.654 1.726 3.827 0.097 14 0 "[ . 1 . 2]" 1
1464 3 49 ARG H 3 49 ARG HD3 . . 4.290 3.183 1.741 4.461 0.171 6 0 "[ . 1 . 2]" 1
1465 3 49 ARG H 3 49 ARG QG . . 3.320 2.877 1.759 3.447 0.127 12 0 "[ . 1 . 2]" 1
1466 3 49 ARG H 3 50 GLN H . . 4.210 4.150 4.004 4.288 0.078 13 0 "[ . 1 . 2]" 1
1467 3 49 ARG HA 3 49 ARG HD2 . . 5.500 4.450 3.931 5.491 . 0 0 "[ . 1 . 2]" 1
1468 3 49 ARG HA 3 49 ARG QD . . 4.700 3.821 3.465 4.471 . 0 0 "[ . 1 . 2]" 1
1469 3 49 ARG HA 3 49 ARG HD3 . . 5.500 4.296 3.679 5.503 0.003 15 0 "[ . 1 . 2]" 1
1470 3 49 ARG HA 3 50 GLN H . . 3.020 2.839 2.665 3.062 0.042 4 0 "[ . 1 . 2]" 1
1471 3 49 ARG QB 3 50 GLN H . . 3.450 1.834 1.652 2.198 . 0 0 "[ . 1 . 2]" 1
1472 3 49 ARG HD2 3 50 GLN H . . 4.570 4.174 2.772 4.748 0.178 7 0 "[ . 1 . 2]" 1
1473 3 49 ARG HD3 3 50 GLN H . . 4.570 3.631 2.454 4.732 0.162 1 0 "[ . 1 . 2]" 1
1474 3 49 ARG HG2 3 50 GLN H . . 3.890 3.123 1.854 3.997 0.107 20 0 "[ . 1 . 2]" 1
1475 3 49 ARG HG3 3 50 GLN H . . 3.890 3.424 2.648 4.074 0.184 6 0 "[ . 1 . 2]" 1
1476 3 50 GLN H 3 50 GLN QB . . 3.300 2.806 2.255 3.166 . 0 0 "[ . 1 . 2]" 1
1477 3 50 GLN H 3 50 GLN QG . . 4.030 2.569 2.017 3.916 . 0 0 "[ . 1 . 2]" 1
1478 3 50 GLN HA 3 51 VAL H . . 3.340 2.179 2.049 2.409 . 0 0 "[ . 1 . 2]" 1
1479 3 50 GLN QB 3 51 VAL H . . 3.560 2.901 2.431 3.621 0.061 10 0 "[ . 1 . 2]" 1
1480 3 50 GLN HB2 3 51 VAL H . . 4.090 3.237 2.462 4.074 . 0 0 "[ . 1 . 2]" 1
1481 3 50 GLN HB3 3 51 VAL H . . 4.090 3.726 2.892 4.120 0.030 10 0 "[ . 1 . 2]" 1
1482 3 50 GLN QG 3 51 VAL H . . 4.940 4.038 2.654 4.572 . 0 0 "[ . 1 . 2]" 1
1483 3 51 VAL H 3 51 VAL MG1 . . 3.680 3.007 2.792 3.252 . 0 0 "[ . 1 . 2]" 1
1484 3 51 VAL H 3 51 VAL MG2 . . 3.330 2.346 2.137 2.612 . 0 0 "[ . 1 . 2]" 1
1485 3 51 VAL HB 3 52 CYS H . . 3.780 2.563 2.326 2.800 . 0 0 "[ . 1 . 2]" 1
1486 3 51 VAL MG1 3 52 CYS H . . 4.230 3.712 3.570 3.862 . 0 0 "[ . 1 . 2]" 1
1487 3 51 VAL MG2 3 52 CYS H . . 3.640 3.531 3.294 3.685 0.045 17 0 "[ . 1 . 2]" 1
1488 3 51 VAL MG2 4 23 TYS HB2 . . 5.500 5.584 5.475 5.688 0.188 17 0 "[ . 1 . 2]" 1
1489 3 51 VAL MG2 4 23 TYS HB3 . . 5.500 4.804 4.342 5.117 . 0 0 "[ . 1 . 2]" 1
1490 3 52 CYS H 3 52 CYS HB2 . . 3.990 2.422 2.344 2.490 . 0 0 "[ . 1 . 2]" 1
1491 3 52 CYS H 3 52 CYS HB3 . . 4.020 3.600 3.531 3.658 . 0 0 "[ . 1 . 2]" 1
1492 3 52 CYS HA 3 53 ILE H . . 3.510 2.190 2.080 2.346 . 0 0 "[ . 1 . 2]" 1
1493 3 52 CYS HB2 3 53 ILE H . . 4.650 4.078 3.834 4.193 . 0 0 "[ . 1 . 2]" 1
1494 3 52 CYS HB3 3 53 ILE H . . 4.170 3.113 2.673 3.308 . 0 0 "[ . 1 . 2]" 1
1495 3 53 ILE H 3 53 ILE HB . . 4.010 2.630 2.483 2.886 . 0 0 "[ . 1 . 2]" 1
1496 3 53 ILE H 3 53 ILE MD . . 3.250 3.296 3.255 3.351 0.101 6 0 "[ . 1 . 2]" 1
1497 3 53 ILE H 3 53 ILE QG . . 4.130 2.378 2.228 2.544 . 0 0 "[ . 1 . 2]" 1
1498 3 53 ILE HA 3 54 ASP H . . 3.550 2.251 2.138 2.367 . 0 0 "[ . 1 . 2]" 1
1499 3 53 ILE HA 3 57 LEU MD1 . . 5.500 3.477 3.056 3.910 . 0 0 "[ . 1 . 2]" 1
1500 3 53 ILE HB 3 54 ASP H . . 4.150 3.803 3.559 4.036 . 0 0 "[ . 1 . 2]" 1
1501 3 53 ILE HB 3 60 ILE QG . . 5.340 3.508 3.175 3.814 . 0 0 "[ . 1 . 2]" 1
1502 3 53 ILE MD 3 53 ILE MG . . 2.560 1.952 1.838 2.047 . 0 0 "[ . 1 . 2]" 1
1503 3 53 ILE MD 3 54 ASP H . . 5.500 3.912 3.653 4.145 . 0 0 "[ . 1 . 2]" 1
1504 3 53 ILE MD 3 59 TRP HH2 . . 5.500 2.988 2.549 3.569 . 0 0 "[ . 1 . 2]" 1
1505 3 53 ILE MD 3 59 TRP HZ2 . . 5.090 2.648 2.101 3.237 . 0 0 "[ . 1 . 2]" 1
1506 3 53 ILE MD 3 60 ILE QG . . 5.340 4.650 4.365 4.903 . 0 0 "[ . 1 . 2]" 1
1507 3 53 ILE QG 3 60 ILE QG . . 5.180 4.306 4.061 4.538 . 0 0 "[ . 1 . 2]" 1
1508 3 53 ILE HG12 3 54 ASP H . . 5.500 5.136 5.031 5.273 . 0 0 "[ . 1 . 2]" 1
1509 3 53 ILE HG13 3 54 ASP H . . 5.500 5.274 5.115 5.447 . 0 0 "[ . 1 . 2]" 1
1510 3 53 ILE MG 3 54 ASP H . . 3.640 2.290 2.008 2.552 . 0 0 "[ . 1 . 2]" 1
1511 3 53 ILE MG 3 55 PRO HA . . 5.500 4.223 3.740 4.654 . 0 0 "[ . 1 . 2]" 1
1512 3 53 ILE MG 3 59 TRP HZ2 . . 5.500 2.546 2.211 3.194 . 0 0 "[ . 1 . 2]" 1
1513 3 53 ILE MG 3 60 ILE QG . . 4.090 2.254 1.993 2.480 . 0 0 "[ . 1 . 2]" 1
1514 3 54 ASP H 3 54 ASP HB2 . . 3.650 2.475 2.288 2.806 . 0 0 "[ . 1 . 2]" 1
1515 3 54 ASP H 3 54 ASP HB3 . . 3.650 2.516 2.351 2.779 . 0 0 "[ . 1 . 2]" 1
1516 3 54 ASP H 3 57 LEU H . . 4.400 4.476 4.424 4.534 0.134 6 0 "[ . 1 . 2]" 1
1517 3 54 ASP H 3 57 LEU MD1 . . 3.850 2.497 2.199 3.060 . 0 0 "[ . 1 . 2]" 1
1518 3 54 ASP H 3 57 LEU HG . . 4.460 3.583 3.067 4.119 . 0 0 "[ . 1 . 2]" 1
1519 3 54 ASP HA 3 56 LYS H . . 5.500 3.556 3.420 3.712 . 0 0 "[ . 1 . 2]" 1
1520 3 54 ASP QB 3 57 LEU HG . . 4.820 2.110 1.761 2.849 . 0 0 "[ . 1 . 2]" 1
1521 3 54 ASP HB2 3 57 LEU H . . 4.310 4.354 4.286 4.465 0.155 10 0 "[ . 1 . 2]" 1
1522 3 54 ASP HB2 3 57 LEU MD1 . . 5.500 3.755 3.234 4.458 . 0 0 "[ . 1 . 2]" 1
1523 3 54 ASP HB2 3 57 LEU MD2 . . 5.500 4.760 3.984 5.603 0.103 16 0 "[ . 1 . 2]" 1
1524 3 54 ASP HB2 3 57 LEU HG . . 5.500 3.428 3.016 4.285 . 0 0 "[ . 1 . 2]" 1
1525 3 54 ASP HB3 3 57 LEU H . . 4.310 2.742 2.605 3.211 . 0 0 "[ . 1 . 2]" 1
1526 3 54 ASP HB3 3 57 LEU MD1 . . 5.500 2.920 2.593 3.339 . 0 0 "[ . 1 . 2]" 1
1527 3 54 ASP HB3 3 57 LEU MD2 . . 5.500 3.785 2.754 4.441 . 0 0 "[ . 1 . 2]" 1
1528 3 54 ASP HB3 3 57 LEU HG . . 5.500 2.131 1.766 2.892 . 0 0 "[ . 1 . 2]" 1
1529 3 55 PRO HA 3 56 LYS H . . 3.400 3.330 3.244 3.439 0.039 17 0 "[ . 1 . 2]" 1
1530 3 55 PRO HA 3 57 LEU H . . 5.500 3.835 3.560 3.972 . 0 0 "[ . 1 . 2]" 1
1531 3 55 PRO HA 3 60 ILE HB . . 5.500 3.741 3.439 3.996 . 0 0 "[ . 1 . 2]" 1
1532 3 55 PRO HA 3 60 ILE MD . . 4.940 3.804 3.482 4.218 . 0 0 "[ . 1 . 2]" 1
1533 3 55 PRO HA 3 60 ILE QG . . 5.340 3.045 2.616 3.295 . 0 0 "[ . 1 . 2]" 1
1534 3 55 PRO HA 3 60 ILE MG . . 5.300 1.978 1.835 2.292 . 0 0 "[ . 1 . 2]" 1
1535 3 55 PRO HB2 3 60 ILE MG . . 5.500 3.801 3.473 4.187 . 0 0 "[ . 1 . 2]" 1
1536 3 55 PRO HB3 3 56 LYS H . . 4.290 4.350 4.292 4.409 0.119 11 0 "[ . 1 . 2]" 1
1537 3 55 PRO HB3 3 60 ILE MG . . 5.420 3.623 3.328 4.008 . 0 0 "[ . 1 . 2]" 1
1538 3 55 PRO QD 3 56 LYS H . . 4.120 2.801 2.720 2.975 . 0 0 "[ . 1 . 2]" 1
1539 3 55 PRO HG2 3 56 LYS H . . 3.440 3.223 2.943 3.465 0.025 19 0 "[ . 1 . 2]" 1
1540 3 55 PRO HG3 3 56 LYS H . . 5.500 4.457 4.293 4.578 . 0 0 "[ . 1 . 2]" 1
1541 3 56 LYS H 3 56 LYS QB . . 3.040 2.401 2.248 2.510 . 0 0 "[ . 1 . 2]" 1
1542 3 56 LYS H 3 56 LYS QD . . 5.400 4.020 3.240 4.447 . 0 0 "[ . 1 . 2]" 1
1543 3 56 LYS H 3 56 LYS QE . . 4.420 3.773 3.094 4.466 0.046 7 0 "[ . 1 . 2]" 1
1544 3 56 LYS H 3 56 LYS HG2 . . 3.450 3.151 2.076 3.601 0.151 5 0 "[ . 1 . 2]" 1
1545 3 56 LYS H 3 56 LYS HG3 . . 3.450 2.697 2.218 3.644 0.194 11 0 "[ . 1 . 2]" 1
1546 3 56 LYS H 3 57 LEU H . . 3.320 2.369 2.219 2.550 . 0 0 "[ . 1 . 2]" 1
1547 3 56 LYS H 3 60 ILE HB . . 5.500 4.670 4.420 4.928 . 0 0 "[ . 1 . 2]" 1
1548 3 56 LYS H 3 60 ILE MG . . 5.500 4.280 3.984 4.530 . 0 0 "[ . 1 . 2]" 1
1549 3 56 LYS HA 3 56 LYS QE . . 5.500 4.291 1.877 5.110 . 0 0 "[ . 1 . 2]" 1
1550 3 56 LYS HA 3 61 GLN HE21 . . 4.450 2.696 2.101 3.834 . 0 0 "[ . 1 . 2]" 1
1551 3 56 LYS HA 3 61 GLN HE22 . . 3.620 2.362 1.940 3.008 . 0 0 "[ . 1 . 2]" 1
1552 3 56 LYS HA 3 61 GLN QG . . 5.500 3.565 2.950 4.025 . 0 0 "[ . 1 . 2]" 1
1553 3 56 LYS QB 3 56 LYS QE . . 3.630 2.572 1.882 3.756 0.126 16 0 "[ . 1 . 2]" 1
1554 3 56 LYS HB2 3 56 LYS QD . . 3.880 3.023 2.759 3.516 . 0 0 "[ . 1 . 2]" 1
1555 3 56 LYS HB2 3 56 LYS QE . . 4.310 2.865 1.901 4.339 0.029 20 0 "[ . 1 . 2]" 1
1556 3 56 LYS HB3 3 56 LYS QD . . 3.880 2.531 2.337 2.929 . 0 0 "[ . 1 . 2]" 1
1557 3 56 LYS HB3 3 56 LYS QE . . 4.310 3.320 1.960 4.118 . 0 0 "[ . 1 . 2]" 1
1558 3 57 LEU H 3 57 LEU HB2 . . 3.500 1.849 1.799 2.195 . 0 0 "[ . 1 . 2]" 1
1559 3 57 LEU H 3 57 LEU HB3 . . 2.960 3.105 2.974 3.333 0.373 10 0 "[ . 1 . 2]" 1
1560 3 57 LEU H 3 57 LEU MD1 . . 5.270 3.739 3.483 3.872 . 0 0 "[ . 1 . 2]" 1
1561 3 57 LEU H 3 57 LEU HG . . 3.130 3.166 2.196 3.369 0.239 7 0 "[ . 1 . 2]" 1
1562 3 57 LEU H 3 60 ILE HB . . 3.580 3.152 2.908 3.460 . 0 0 "[ . 1 . 2]" 1
1563 3 57 LEU H 3 60 ILE MD . . 5.500 4.956 4.765 5.151 . 0 0 "[ . 1 . 2]" 1
1564 3 57 LEU H 3 60 ILE QG . . 3.740 3.334 3.117 3.548 . 0 0 "[ . 1 . 2]" 1
1565 3 57 LEU H 3 60 ILE MG . . 4.410 3.891 3.625 4.093 . 0 0 "[ . 1 . 2]" 1
1566 3 57 LEU HA 3 57 LEU MD2 . . 4.550 2.008 1.921 2.255 . 0 0 "[ . 1 . 2]" 1
1567 3 57 LEU HA 3 60 ILE H . . 4.670 4.621 4.498 4.694 0.024 5 0 "[ . 1 . 2]" 1
1568 3 57 LEU HA 3 60 ILE QG . . 5.340 4.627 4.458 4.838 . 0 0 "[ . 1 . 2]" 1
1569 3 57 LEU HB2 3 60 ILE H . . 4.390 3.735 3.004 4.108 . 0 0 "[ . 1 . 2]" 1
1570 3 57 LEU HB2 3 60 ILE HB . . 5.500 3.111 2.737 3.510 . 0 0 "[ . 1 . 2]" 1
1571 3 57 LEU HB2 3 60 ILE HG12 . . 5.500 2.853 2.272 3.080 . 0 0 "[ . 1 . 2]" 1
1572 3 57 LEU HB2 3 60 ILE HG13 . . 5.500 2.762 2.560 2.900 . 0 0 "[ . 1 . 2]" 1
1573 3 57 LEU HB3 3 58 LYS H . . 4.410 3.211 2.816 3.558 . 0 0 "[ . 1 . 2]" 1
1574 3 57 LEU HB3 3 60 ILE H . . 4.020 2.554 2.259 3.058 . 0 0 "[ . 1 . 2]" 1
1575 3 57 LEU HB3 3 60 ILE HB . . 5.500 3.141 2.587 3.883 . 0 0 "[ . 1 . 2]" 1
1576 3 57 LEU HB3 3 60 ILE MD . . 5.500 4.147 3.764 4.750 . 0 0 "[ . 1 . 2]" 1
1577 3 57 LEU HB3 3 60 ILE HG12 . . 5.500 2.516 2.080 3.245 . 0 0 "[ . 1 . 2]" 1
1578 3 57 LEU HB3 3 60 ILE HG13 . . 5.500 3.404 2.873 4.172 . 0 0 "[ . 1 . 2]" 1
1579 3 57 LEU MD1 3 59 TRP HD1 . . 5.500 3.637 3.329 4.009 . 0 0 "[ . 1 . 2]" 1
1580 3 57 LEU MD1 3 59 TRP HE1 . . 3.580 2.194 1.916 2.649 . 0 0 "[ . 1 . 2]" 1
1581 3 57 LEU MD1 3 59 TRP HZ2 . . 4.350 2.864 2.596 3.269 . 0 0 "[ . 1 . 2]" 1
1582 3 57 LEU MD1 3 60 ILE H . . 5.500 4.011 3.507 4.450 . 0 0 "[ . 1 . 2]" 1
1583 3 57 LEU MD1 3 60 ILE HG12 . . 5.500 3.033 2.525 3.430 . 0 0 "[ . 1 . 2]" 1
1584 3 57 LEU MD1 3 60 ILE QG . . 4.650 2.844 2.433 3.152 . 0 0 "[ . 1 . 2]" 1
1585 3 57 LEU MD1 3 60 ILE HG13 . . 5.500 3.460 3.184 3.759 . 0 0 "[ . 1 . 2]" 1
1586 3 57 LEU MD2 3 58 LYS H . . 5.500 2.159 1.811 3.128 . 0 0 "[ . 1 . 2]" 1
1587 3 57 LEU MD2 3 59 TRP HD1 . . 3.690 2.926 2.280 3.754 0.064 2 0 "[ . 1 . 2]" 1
1588 3 57 LEU MD2 3 59 TRP HE1 . . 3.580 2.937 2.460 3.407 . 0 0 "[ . 1 . 2]" 1
1589 3 57 LEU MD2 3 59 TRP HZ2 . . 5.500 4.798 4.361 5.391 . 0 0 "[ . 1 . 2]" 1
1590 3 57 LEU MD2 3 60 ILE H . . 5.500 4.065 3.318 4.909 . 0 0 "[ . 1 . 2]" 1
1591 3 57 LEU MD2 3 60 ILE HG12 . . 5.500 4.354 3.692 5.001 . 0 0 "[ . 1 . 2]" 1
1592 3 57 LEU MD2 3 60 ILE QG . . 4.790 4.119 3.569 4.631 . 0 0 "[ . 1 . 2]" 1
1593 3 57 LEU MD2 3 60 ILE HG13 . . 5.500 5.110 4.733 5.469 . 0 0 "[ . 1 . 2]" 1
1594 3 57 LEU HG 3 60 ILE HB . . 5.500 5.308 4.829 5.518 0.018 5 0 "[ . 1 . 2]" 1
1595 3 57 LEU HG 3 60 ILE QG . . 5.340 4.333 3.833 4.577 . 0 0 "[ . 1 . 2]" 1
1596 3 58 LYS HA 3 58 LYS HD2 . . 5.260 4.512 2.124 4.906 . 0 0 "[ . 1 . 2]" 1
1597 3 58 LYS HA 3 58 LYS HD3 . . 5.260 4.464 2.969 4.916 . 0 0 "[ . 1 . 2]" 1
1598 3 58 LYS HA 3 58 LYS QE . . 5.500 4.250 3.804 4.446 . 0 0 "[ . 1 . 2]" 1
1599 3 58 LYS HA 3 61 GLN H . . 4.120 3.650 3.139 3.902 . 0 0 "[ . 1 . 2]" 1
1600 3 58 LYS HA 3 61 GLN QG . . 5.500 2.537 2.139 3.216 . 0 0 "[ . 1 . 2]" 1
1601 3 58 LYS HA 3 62 GLU H . . 4.440 4.191 3.886 4.471 0.031 16 0 "[ . 1 . 2]" 1
1602 3 58 LYS QB 3 59 TRP H . . 3.570 2.319 2.061 2.947 . 0 0 "[ . 1 . 2]" 1
1603 3 58 LYS QD 3 59 TRP H . . 4.380 4.331 3.362 4.550 0.170 2 0 "[ . 1 . 2]" 1
1604 3 58 LYS QD 3 62 GLU HG2 . . 5.340 5.004 2.395 5.459 0.119 3 0 "[ . 1 . 2]" 1
1605 3 58 LYS QG 3 59 TRP H . . 4.660 3.331 2.890 4.480 . 0 0 "[ . 1 . 2]" 1
1606 3 58 LYS QG 3 62 GLU HG2 . . 5.340 4.012 2.904 5.261 . 0 0 "[ . 1 . 2]" 1
1607 3 58 LYS HG2 3 62 GLU HG3 . . 5.500 4.301 3.487 5.577 0.077 6 0 "[ . 1 . 2]" 1
1608 3 58 LYS HG3 3 62 GLU HG3 . . 5.500 5.308 4.266 5.603 0.103 19 0 "[ . 1 . 2]" 1
1609 3 59 TRP H 3 59 TRP HB2 . . 3.840 3.657 3.637 3.706 . 0 0 "[ . 1 . 2]" 1
1610 3 59 TRP H 3 59 TRP HB3 . . 3.800 2.797 2.701 2.854 . 0 0 "[ . 1 . 2]" 1
1611 3 59 TRP H 3 59 TRP HE1 . . 4.180 4.273 4.224 4.322 0.142 4 0 "[ . 1 . 2]" 1
1612 3 59 TRP H 3 60 ILE H . . 3.900 2.651 2.505 2.812 . 0 0 "[ . 1 . 2]" 1
1613 3 59 TRP HA 3 62 GLU H . . 5.110 3.216 3.025 3.408 . 0 0 "[ . 1 . 2]" 1
1614 3 59 TRP HA 3 62 GLU HB2 . . 5.500 3.380 2.199 5.141 . 0 0 "[ . 1 . 2]" 1
1615 3 59 TRP HA 3 62 GLU HB3 . . 5.500 3.289 2.181 4.204 . 0 0 "[ . 1 . 2]" 1
1616 3 59 TRP HA 3 62 GLU HG2 . . 5.500 3.539 2.202 4.839 . 0 0 "[ . 1 . 2]" 1
1617 3 59 TRP HA 3 62 GLU HG3 . . 5.500 2.840 1.920 4.071 . 0 0 "[ . 1 . 2]" 1
1618 3 59 TRP HA 3 63 TYR H . . 5.130 3.850 3.580 4.128 . 0 0 "[ . 1 . 2]" 1
1619 3 59 TRP HB3 3 59 TRP HE1 . . 5.190 4.748 4.698 4.785 . 0 0 "[ . 1 . 2]" 1
1620 3 59 TRP HE3 3 60 ILE MD . . 5.500 2.958 2.802 3.117 . 0 0 "[ . 1 . 2]" 1
1621 3 59 TRP HZ2 3 60 ILE QG . . 4.810 4.262 3.895 4.555 . 0 0 "[ . 1 . 2]" 1
1622 3 60 ILE H 3 60 ILE HB . . 3.540 2.471 2.394 2.562 . 0 0 "[ . 1 . 2]" 1
1623 3 60 ILE H 3 60 ILE MD . . 5.500 3.468 3.354 3.594 . 0 0 "[ . 1 . 2]" 1
1624 3 60 ILE H 3 60 ILE HG12 . . 4.100 2.364 2.255 2.462 . 0 0 "[ . 1 . 2]" 1
1625 3 60 ILE H 3 60 ILE QG . . 3.370 2.339 2.236 2.432 . 0 0 "[ . 1 . 2]" 1
1626 3 60 ILE H 3 60 ILE HG13 . . 4.100 3.733 3.679 3.795 . 0 0 "[ . 1 . 2]" 1
1627 3 60 ILE H 3 60 ILE MG . . 3.890 3.764 3.742 3.792 . 0 0 "[ . 1 . 2]" 1
1628 3 60 ILE H 3 61 GLN H . . 3.490 2.571 2.458 2.670 . 0 0 "[ . 1 . 2]" 1
1629 3 60 ILE H 3 62 GLU H . . 4.680 4.130 3.984 4.306 . 0 0 "[ . 1 . 2]" 1
1630 3 60 ILE HA 3 63 TYR QD . . 5.500 4.279 3.545 4.649 . 0 0 "[ . 1 . 2]" 1
1631 3 60 ILE HB 3 61 GLN H . . 3.730 2.468 2.292 2.671 . 0 0 "[ . 1 . 2]" 1
1632 3 60 ILE HB 3 64 LEU MD1 . . 5.480 4.305 4.166 4.547 . 0 0 "[ . 1 . 2]" 1
1633 3 60 ILE MD 3 64 LEU H . . 5.500 4.977 4.663 5.305 . 0 0 "[ . 1 . 2]" 1
1634 3 60 ILE QG 3 61 GLN H . . 4.180 3.993 3.878 4.098 . 0 0 "[ . 1 . 2]" 1
1635 3 60 ILE MG 3 61 GLN H . . 3.850 3.206 3.053 3.416 . 0 0 "[ . 1 . 2]" 1
1636 3 60 ILE MG 3 61 GLN QG . . 5.500 4.101 3.829 4.352 . 0 0 "[ . 1 . 2]" 1
1637 3 60 ILE MG 3 63 TYR H . . 4.700 4.538 4.239 4.707 0.007 17 0 "[ . 1 . 2]" 1
1638 3 60 ILE MG 3 64 LEU H . . 5.500 3.683 3.370 3.940 . 0 0 "[ . 1 . 2]" 1
1639 3 61 GLN H 3 61 GLN QB . . 3.290 2.646 2.537 2.753 . 0 0 "[ . 1 . 2]" 1
1640 3 61 GLN H 3 61 GLN HE21 . . 5.070 3.154 2.712 4.640 . 0 0 "[ . 1 . 2]" 1
1641 3 61 GLN H 3 61 GLN HE22 . . 4.350 4.420 4.349 4.499 0.149 7 0 "[ . 1 . 2]" 1
1642 3 61 GLN H 3 61 GLN QG . . 3.330 1.986 1.865 2.085 . 0 0 "[ . 1 . 2]" 1
1643 3 61 GLN H 3 62 GLU H . . 3.630 2.904 2.796 2.994 . 0 0 "[ . 1 . 2]" 1
1644 3 61 GLN HA 3 61 GLN HE22 . . 5.500 3.365 3.097 3.741 . 0 0 "[ . 1 . 2]" 1
1645 3 61 GLN HA 3 64 LEU H . . 4.400 3.861 3.543 4.119 . 0 0 "[ . 1 . 2]" 1
1646 3 61 GLN HA 3 64 LEU MD1 . . 5.450 2.800 2.328 3.168 . 0 0 "[ . 1 . 2]" 1
1647 3 61 GLN HA 3 65 GLU H . . 4.240 3.951 3.582 4.236 . 0 0 "[ . 1 . 2]" 1
1648 3 61 GLN QB 3 61 GLN HE22 . . 3.820 3.918 3.831 3.967 0.147 6 0 "[ . 1 . 2]" 1
1649 3 61 GLN HB2 3 62 GLU H . . 5.500 2.305 2.123 2.481 . 0 0 "[ . 1 . 2]" 1
1650 3 61 GLN HB3 3 62 GLU H . . 5.500 3.524 3.392 3.769 . 0 0 "[ . 1 . 2]" 1
1651 3 61 GLN HE21 3 64 LEU MD1 . . 4.150 3.505 3.103 4.193 0.043 5 0 "[ . 1 . 2]" 1
1652 3 61 GLN HE22 3 61 GLN QG . . 3.470 3.249 3.234 3.265 . 0 0 "[ . 1 . 2]" 1
1653 3 61 GLN HE22 3 64 LEU MD1 . . 3.580 3.444 2.992 3.628 0.048 19 0 "[ . 1 . 2]" 1
1654 3 61 GLN QG 3 62 GLU H . . 5.500 3.751 3.592 3.943 . 0 0 "[ . 1 . 2]" 1
1655 3 62 GLU H 3 62 GLU HB2 . . 3.510 2.610 1.846 3.584 0.074 15 0 "[ . 1 . 2]" 1
1656 3 62 GLU H 3 62 GLU HB3 . . 3.150 2.666 2.388 3.366 0.216 10 0 "[ . 1 . 2]" 1
1657 3 62 GLU H 3 62 GLU HG2 . . 3.510 3.374 2.114 3.785 0.275 11 0 "[ . 1 . 2]" 1
1658 3 62 GLU H 3 62 GLU HG3 . . 5.330 3.270 2.052 4.256 . 0 0 "[ . 1 . 2]" 1
1659 3 62 GLU H 3 63 TYR H . . 3.530 2.626 2.418 2.804 . 0 0 "[ . 1 . 2]" 1
1660 3 62 GLU HA 3 65 GLU H . . 4.190 3.816 3.352 4.239 0.049 3 0 "[ . 1 . 2]" 1
1661 3 62 GLU HA 3 65 GLU HB2 . . 5.420 2.952 2.196 3.724 . 0 0 "[ . 1 . 2]" 1
1662 3 62 GLU HA 3 65 GLU HB3 . . 5.270 3.596 2.345 4.722 . 0 0 "[ . 1 . 2]" 1
1663 3 62 GLU HB2 3 63 TYR H . . 3.930 3.523 2.441 3.968 0.038 12 0 "[ . 1 . 2]" 1
1664 3 62 GLU HB3 3 63 TYR H . . 3.880 3.156 2.199 3.997 0.117 13 0 "[ . 1 . 2]" 1
1665 3 62 GLU HG2 3 63 TYR H . . 5.500 4.432 3.979 4.892 . 0 0 "[ . 1 . 2]" 1
1666 3 62 GLU HG3 3 63 TYR H . . 5.500 3.877 2.273 5.174 . 0 0 "[ . 1 . 2]" 1
1667 3 63 TYR H 3 63 TYR HB2 . . 3.400 2.391 2.229 2.524 . 0 0 "[ . 1 . 2]" 1
1668 3 63 TYR H 3 63 TYR HB3 . . 3.510 2.651 2.485 2.810 . 0 0 "[ . 1 . 2]" 1
1669 3 63 TYR H 3 63 TYR QD . . 4.210 4.149 4.057 4.229 0.019 13 0 "[ . 1 . 2]" 1
1670 3 63 TYR H 3 64 LEU H . . 3.660 2.718 2.579 2.804 . 0 0 "[ . 1 . 2]" 1
1671 3 63 TYR H 3 66 LYS HG2 . . 5.050 4.635 4.242 5.061 0.011 17 0 "[ . 1 . 2]" 1
1672 3 63 TYR HA 3 63 TYR QD . . 3.970 2.959 2.667 3.130 . 0 0 "[ . 1 . 2]" 1
1673 3 63 TYR HB2 3 64 LEU H . . 3.860 3.625 3.408 3.846 . 0 0 "[ . 1 . 2]" 1
1674 3 63 TYR HB3 3 64 LEU H . . 4.140 2.328 2.054 2.558 . 0 0 "[ . 1 . 2]" 1
1675 3 63 TYR QD 3 64 LEU HG . . 4.460 4.140 3.800 4.452 . 0 0 "[ . 1 . 2]" 1
1676 3 63 TYR QE 3 67 CYS HB2 . . 4.690 4.329 3.605 4.751 0.061 13 0 "[ . 1 . 2]" 1
1677 3 64 LEU H 3 64 LEU HB3 . . 4.080 3.619 3.574 3.636 . 0 0 "[ . 1 . 2]" 1
1678 3 64 LEU H 3 64 LEU MD1 . . 3.610 3.600 3.574 3.622 0.012 15 0 "[ . 1 . 2]" 1
1679 3 64 LEU H 3 64 LEU MD2 . . 3.540 2.955 2.847 3.063 . 0 0 "[ . 1 . 2]" 1
1680 3 64 LEU H 3 64 LEU HG . . 3.310 1.994 1.935 2.061 . 0 0 "[ . 1 . 2]" 1
1681 3 64 LEU H 3 65 GLU H . . 3.700 2.750 2.513 2.916 . 0 0 "[ . 1 . 2]" 1
1682 3 64 LEU HA 3 64 LEU MD2 . . 4.370 2.174 2.128 2.223 . 0 0 "[ . 1 . 2]" 1
1683 3 64 LEU HA 3 67 CYS H . . 3.620 3.675 3.625 3.747 0.127 16 0 "[ . 1 . 2]" 1
1684 3 64 LEU HA 3 68 LEU H . . 5.500 4.085 3.882 4.582 . 0 0 "[ . 1 . 2]" 1
1685 3 64 LEU HB2 3 65 GLU H . . 5.500 2.213 2.169 2.277 . 0 0 "[ . 1 . 2]" 1
1686 3 64 LEU HB3 3 65 GLU H . . 4.240 3.464 3.431 3.505 . 0 0 "[ . 1 . 2]" 1
1687 3 64 LEU MD1 3 65 GLU H . . 4.080 4.115 4.081 4.154 0.074 13 0 "[ . 1 . 2]" 1
1688 3 64 LEU HG 3 65 GLU H . . 3.710 3.825 3.792 3.858 0.148 15 0 "[ . 1 . 2]" 1
1689 3 65 GLU H 3 65 GLU HB2 . . 3.250 2.269 1.994 2.700 . 0 0 "[ . 1 . 2]" 1
1690 3 65 GLU H 3 65 GLU HB3 . . 3.560 3.219 2.633 3.640 0.080 20 0 "[ . 1 . 2]" 1
1691 3 65 GLU H 3 65 GLU HG2 . . 3.770 3.439 2.284 3.959 0.189 7 0 "[ . 1 . 2]" 1
1692 3 65 GLU H 3 65 GLU HG3 . . 5.080 3.588 2.237 4.400 . 0 0 "[ . 1 . 2]" 1
1693 3 65 GLU H 3 66 LYS H . . 3.520 3.021 2.877 3.153 . 0 0 "[ . 1 . 2]" 1
1694 3 65 GLU HA 3 68 LEU H . . 3.920 3.647 3.051 3.957 0.037 19 0 "[ . 1 . 2]" 1
1695 3 65 GLU HB2 3 66 LYS H . . 3.710 3.214 2.508 3.733 0.023 11 0 "[ . 1 . 2]" 1
1696 3 65 GLU HB3 3 66 LYS H . . 3.680 3.106 2.447 3.729 0.049 10 0 "[ . 1 . 2]" 1
1697 3 65 GLU HG2 3 66 LYS H . . 5.500 4.959 4.671 5.236 . 0 0 "[ . 1 . 2]" 1
1698 3 65 GLU HG3 3 66 LYS H . . 5.500 4.924 4.283 5.191 . 0 0 "[ . 1 . 2]" 1
1699 3 66 LYS H 3 66 LYS HB2 . . 3.280 3.483 3.437 3.512 0.232 2 0 "[ . 1 . 2]" 1
1700 3 66 LYS H 3 66 LYS HB3 . . 3.210 2.473 2.357 2.612 . 0 0 "[ . 1 . 2]" 1
1701 3 66 LYS H 3 66 LYS QD . . 5.500 3.714 3.266 4.214 . 0 0 "[ . 1 . 2]" 1
1702 3 66 LYS H 3 66 LYS QE . . 5.500 4.403 3.262 5.101 . 0 0 "[ . 1 . 2]" 1
1703 3 66 LYS H 3 66 LYS HG2 . . 3.450 2.360 1.967 3.466 0.016 17 0 "[ . 1 . 2]" 1
1704 3 66 LYS H 3 66 LYS HG3 . . 3.550 3.171 2.101 3.579 0.029 18 0 "[ . 1 . 2]" 1
1705 3 66 LYS H 3 67 CYS H . . 2.970 2.455 2.294 2.566 . 0 0 "[ . 1 . 2]" 1
1706 3 66 LYS HA 3 66 LYS QD . . 4.510 4.309 3.838 4.533 0.023 9 0 "[ . 1 . 2]" 1
1707 3 66 LYS HA 3 66 LYS QE . . 5.500 4.652 3.993 5.632 0.132 4 0 "[ . 1 . 2]" 1
1708 3 66 LYS HA 3 69 ASN H . . 5.500 3.711 3.354 4.605 . 0 0 "[ . 1 . 2]" 1
1709 3 66 LYS HB2 3 67 CYS H . . 3.630 3.705 3.583 3.782 0.152 16 0 "[ . 1 . 2]" 1
1710 3 66 LYS HB3 3 66 LYS QE . . 4.750 3.056 2.017 4.084 . 0 0 "[ . 1 . 2]" 1
1711 3 66 LYS HB3 3 67 CYS H . . 3.740 3.843 3.784 3.951 0.211 20 0 "[ . 1 . 2]" 1
1712 3 66 LYS QD 3 66 LYS HG2 . . 2.400 2.291 2.156 2.409 0.009 20 0 "[ . 1 . 2]" 1
1713 3 66 LYS QE 3 66 LYS HG2 . . 3.830 2.881 2.377 3.522 . 0 0 "[ . 1 . 2]" 1
1714 3 66 LYS HG2 3 67 CYS H . . 3.820 2.708 1.999 3.895 0.075 17 0 "[ . 1 . 2]" 1
1715 3 66 LYS HG3 3 67 CYS H . . 4.010 2.515 2.122 2.942 . 0 0 "[ . 1 . 2]" 1
1716 3 67 CYS H 3 67 CYS HB2 . . 3.420 2.515 2.364 2.840 . 0 0 "[ . 1 . 2]" 1
1717 3 67 CYS H 3 67 CYS HB3 . . 3.480 3.013 2.545 3.606 0.126 17 0 "[ . 1 . 2]" 1
1718 3 67 CYS H 3 68 LEU H . . 3.280 2.647 2.361 2.802 . 0 0 "[ . 1 . 2]" 1
1719 3 67 CYS H 3 70 LYS QD . . 5.500 5.262 4.246 5.819 0.319 16 0 "[ . 1 . 2]" 1
1720 3 67 CYS H 3 70 LYS QG . . 5.500 4.946 3.623 5.575 0.075 19 0 "[ . 1 . 2]" 1
1721 3 67 CYS HB2 3 68 LEU H . . 4.170 3.554 2.822 4.173 0.003 5 0 "[ . 1 . 2]" 1
1722 3 67 CYS HB3 3 68 LEU H . . 4.260 3.175 2.476 3.936 . 0 0 "[ . 1 . 2]" 1
1723 3 68 LEU H 3 68 LEU HB2 . . 3.500 2.162 2.088 2.292 . 0 0 "[ . 1 . 2]" 1
1724 3 68 LEU H 3 68 LEU QB . . 2.930 2.056 2.014 2.099 . 0 0 "[ . 1 . 2]" 1
1725 3 68 LEU H 3 68 LEU HB3 . . 3.500 2.588 2.364 2.701 . 0 0 "[ . 1 . 2]" 1
1726 3 68 LEU H 3 68 LEU MD1 . . 4.930 4.234 3.981 4.307 . 0 0 "[ . 1 . 2]" 1
1727 3 68 LEU H 3 68 LEU QD . . 3.400 3.525 3.484 3.587 0.187 1 0 "[ . 1 . 2]" 1
1728 3 68 LEU H 3 68 LEU MD2 . . 4.930 3.778 3.697 4.074 . 0 0 "[ . 1 . 2]" 1
1729 3 68 LEU H 3 68 LEU HG . . 5.460 4.427 4.361 4.482 . 0 0 "[ . 1 . 2]" 1
1730 3 68 LEU H 3 69 ASN H . . 3.580 2.859 2.682 3.220 . 0 0 "[ . 1 . 2]" 1
1731 3 68 LEU QB 3 69 ASN H . . 3.320 2.249 1.914 2.513 . 0 0 "[ . 1 . 2]" 1
1732 3 68 LEU HB2 3 69 ASN H . . 3.810 3.570 3.285 3.830 0.020 1 0 "[ . 1 . 2]" 1
1733 3 68 LEU HB3 3 69 ASN H . . 3.810 2.275 1.927 2.552 . 0 0 "[ . 1 . 2]" 1
1734 3 68 LEU QD 3 69 ASN H . . 3.540 3.240 2.772 3.501 . 0 0 "[ . 1 . 2]" 1
1735 3 69 ASN H 3 69 ASN HB2 . . 3.540 2.967 2.357 3.551 0.011 1 0 "[ . 1 . 2]" 1
1736 3 69 ASN H 3 69 ASN HB3 . . 3.540 3.020 2.482 3.668 0.128 8 0 "[ . 1 . 2]" 1
1737 3 69 ASN H 3 70 LYS H . . 3.660 2.368 1.679 3.695 0.035 6 0 "[ . 1 . 2]" 1
1738 3 69 ASN HA 3 69 ASN HD21 . . 4.290 3.412 2.780 4.332 0.042 11 0 "[ . 1 . 2]" 1
1739 3 69 ASN HA 3 69 ASN HD22 . . 4.290 4.106 3.838 4.457 0.167 11 0 "[ . 1 . 2]" 1
1740 3 69 ASN HA 3 70 LYS H . . 3.340 3.374 1.971 3.479 0.139 10 0 "[ . 1 . 2]" 1
1741 3 69 ASN QB 3 69 ASN QD . . 2.970 2.160 2.096 2.236 . 0 0 "[ . 1 . 2]" 1
1742 3 69 ASN QB 3 70 LYS H . . 3.540 2.543 1.778 3.673 0.133 6 0 "[ . 1 . 2]" 1
1743 3 69 ASN QB 3 70 LYS QB . . 5.180 4.029 3.369 5.253 0.073 6 0 "[ . 1 . 2]" 1
1744 3 69 ASN HB2 3 69 ASN HD22 . . 3.920 3.560 3.431 3.981 0.061 8 0 "[ . 1 . 2]" 1
1745 3 69 ASN HB2 3 70 LYS H . . 4.330 3.524 2.506 4.121 . 0 0 "[ . 1 . 2]" 1
1746 3 69 ASN HB3 3 69 ASN HD22 . . 3.920 3.825 3.448 4.016 0.096 6 0 "[ . 1 . 2]" 1
1747 3 69 ASN HB3 3 70 LYS H . . 4.330 2.827 1.785 4.125 . 0 0 "[ . 1 . 2]" 1
1748 3 70 LYS H 3 70 LYS HB2 . . 3.600 3.276 2.485 3.782 0.182 17 0 "[ . 1 . 2]" 1
1749 3 70 LYS H 3 70 LYS QB . . 2.910 2.634 2.445 2.951 0.041 9 0 "[ . 1 . 2]" 1
1750 3 70 LYS H 3 70 LYS HB3 . . 3.600 3.094 2.498 3.669 0.069 2 0 "[ . 1 . 2]" 1
1751 3 70 LYS H 3 70 LYS QD . . 5.500 3.950 3.323 5.044 . 0 0 "[ . 1 . 2]" 1
1752 3 70 LYS H 3 70 LYS QG . . 3.300 2.256 1.883 3.296 . 0 0 "[ . 1 . 2]" 1
1753 3 70 LYS HA 3 70 LYS QD . . 5.030 4.212 3.685 4.568 . 0 0 "[ . 1 . 2]" 1
1754 3 70 LYS HA 3 70 LYS QE . . 5.500 4.623 4.057 5.561 0.061 16 0 "[ . 1 . 2]" 1
1755 4 4 GLU H 4 4 GLU QB . . 3.660 2.533 2.230 3.406 . 0 0 "[ . 1 . 2]" 1
1756 4 4 GLU H 4 4 GLU QG . . 4.440 3.178 2.057 4.318 . 0 0 "[ . 1 . 2]" 1
1757 4 4 GLU HA 4 4 GLU QG . . 3.130 2.516 2.381 3.018 . 0 0 "[ . 1 . 2]" 1
1758 4 4 GLU HB2 4 4 GLU QG . . 2.420 2.305 2.154 2.374 . 0 0 "[ . 1 . 2]" 1
1759 4 4 GLU HB3 4 4 GLU QG . . 2.420 2.330 2.169 2.392 . 0 0 "[ . 1 . 2]" 1
1760 4 5 GLY H 4 6 ILE H . . 4.610 3.231 1.888 4.542 . 0 0 "[ . 1 . 2]" 1
1761 4 5 GLY QA 4 6 ILE H . . 3.140 2.479 2.104 2.855 . 0 0 "[ . 1 . 2]" 1
1762 4 6 ILE H 4 6 ILE HB . . 3.470 2.588 2.456 3.541 0.071 5 0 "[ . 1 . 2]" 1
1763 4 6 ILE H 4 6 ILE MD . . 3.990 3.603 3.299 3.909 . 0 0 "[ . 1 . 2]" 1
1764 4 6 ILE H 4 6 ILE HG12 . . 4.000 3.097 1.867 3.838 . 0 0 "[ . 1 . 2]" 1
1765 4 6 ILE H 4 6 ILE QG . . 3.420 2.277 1.849 2.686 . 0 0 "[ . 1 . 2]" 1
1766 4 6 ILE H 4 6 ILE HG13 . . 4.000 2.777 1.904 4.040 0.040 16 0 "[ . 1 . 2]" 1
1767 4 6 ILE H 4 6 ILE MG . . 3.920 3.715 2.296 3.819 . 0 0 "[ . 1 . 2]" 1
1768 4 6 ILE HA 4 6 ILE MD . . 4.440 3.343 2.032 4.219 . 0 0 "[ . 1 . 2]" 1
1769 4 6 ILE MD 4 6 ILE MG . . 2.400 1.962 1.911 2.046 . 0 0 "[ . 1 . 2]" 1
1770 4 6 ILE QG 4 6 ILE MG . . 2.970 2.326 2.283 2.370 . 0 0 "[ . 1 . 2]" 1
1771 4 6 ILE HG12 4 6 ILE MG . . 3.400 2.642 2.372 3.214 . 0 0 "[ . 1 . 2]" 1
1772 4 6 ILE HG13 4 6 ILE MG . . 3.400 2.955 2.336 3.221 . 0 0 "[ . 1 . 2]" 1
1773 4 7 SER HB2 4 8 ILE H . . 4.770 4.103 2.972 4.615 . 0 0 "[ . 1 . 2]" 1
1774 4 7 SER HB3 4 8 ILE H . . 4.770 3.893 1.934 4.516 . 0 0 "[ . 1 . 2]" 1
1775 4 8 ILE H 4 8 ILE HB . . 4.180 3.076 2.453 3.961 . 0 0 "[ . 1 . 2]" 1
1776 4 8 ILE H 4 8 ILE MD . . 4.350 2.916 1.664 4.407 0.057 8 0 "[ . 1 . 2]" 1
1777 4 8 ILE H 4 8 ILE HG12 . . 4.770 3.032 2.148 4.492 . 0 0 "[ . 1 . 2]" 1
1778 4 8 ILE H 4 8 ILE QG . . 4.100 2.865 2.133 3.971 . 0 0 "[ . 1 . 2]" 1
1779 4 8 ILE H 4 8 ILE HG13 . . 4.770 3.973 2.600 4.548 . 0 0 "[ . 1 . 2]" 1
1780 4 8 ILE H 4 8 ILE MG . . 4.350 3.333 2.018 3.944 . 0 0 "[ . 1 . 2]" 1
1781 4 8 ILE HA 4 8 ILE MD . . 3.640 2.847 1.994 3.751 0.111 5 0 "[ . 1 . 2]" 1
1782 4 8 ILE HA 4 8 ILE MG . . 3.620 2.463 2.241 3.233 . 0 0 "[ . 1 . 2]" 1
1783 4 8 ILE HA 4 9 TYR H . . 3.350 2.690 2.031 3.494 0.144 9 0 "[ . 1 . 2]" 1
1784 4 8 ILE HB 4 8 ILE MD . . 3.300 3.110 2.341 3.286 . 0 0 "[ . 1 . 2]" 1
1785 4 8 ILE HB 4 9 TYR H . . 4.230 3.215 1.654 4.142 . 0 0 "[ . 1 . 2]" 1
1786 4 8 ILE HB 4 9 TYR QD . . 5.500 4.661 2.836 5.622 0.122 17 0 "[ . 1 . 2]" 1
1787 4 8 ILE MD 4 8 ILE MG . . 2.400 1.995 1.778 2.134 . 0 0 "[ . 1 . 2]" 1
1788 4 8 ILE MD 4 9 TYR H . . 3.930 3.599 1.915 4.136 0.206 10 0 "[ . 1 . 2]" 1
1789 4 8 ILE MD 4 9 TYR QD . . 5.500 4.584 3.037 5.482 . 0 0 "[ . 1 . 2]" 1
1790 4 8 ILE MD 4 9 TYR QE . . 5.500 4.797 2.782 5.624 0.124 18 0 "[ . 1 . 2]" 1
1791 4 8 ILE QG 4 9 TYR H . . 4.570 3.500 1.683 4.593 0.023 17 0 "[ . 1 . 2]" 1
1792 4 8 ILE HG12 4 8 ILE MG . . 3.080 3.047 2.337 3.176 0.096 9 0 "[ . 1 . 2]" 1
1793 4 8 ILE HG13 4 8 ILE MG . . 3.080 2.435 2.235 3.175 0.095 8 0 "[ . 1 . 2]" 1
1794 4 8 ILE MG 4 9 TYR H . . 3.930 2.908 1.718 3.896 . 0 0 "[ . 1 . 2]" 1
1795 4 8 ILE MG 4 9 TYR QD . . 5.010 4.028 2.690 4.958 . 0 0 "[ . 1 . 2]" 1
1796 4 8 ILE MG 4 9 TYR QE . . 5.500 4.537 3.266 5.695 0.195 11 0 "[ . 1 . 2]" 1
1797 4 9 TYR H 4 9 TYR HB2 . . 3.760 3.242 2.483 3.885 0.125 8 0 "[ . 1 . 2]" 1
1798 4 9 TYR H 4 9 TYR HB3 . . 3.830 3.445 2.716 3.921 0.091 11 0 "[ . 1 . 2]" 1
1799 4 9 TYR H 4 9 TYR QD . . 4.200 2.768 1.918 3.599 . 0 0 "[ . 1 . 2]" 1
1800 4 9 TYR HA 4 9 TYR QD . . 3.050 3.000 2.282 3.494 0.444 6 0 "[ . 1 . 2]" 1
1801 4 10 THR HA 4 10 THR MG . . 3.690 2.426 2.253 3.286 . 0 0 "[ . 1 . 2]" 1
1802 4 10 THR HB 4 11 SER H . . 5.200 3.421 1.962 4.471 . 0 0 "[ . 1 . 2]" 1
1803 4 12 ASP HB2 4 13 ASN H . . 5.210 3.576 1.922 4.525 . 0 0 "[ . 1 . 2]" 1
1804 4 12 ASP HB3 4 13 ASN H . . 5.210 3.513 2.017 4.469 . 0 0 "[ . 1 . 2]" 1
1805 4 14 TYR H 4 14 TYR HB2 . . 4.100 3.111 2.316 3.731 . 0 0 "[ . 1 . 2]" 1
1806 4 14 TYR H 4 14 TYR HB3 . . 4.100 3.118 2.427 3.911 . 0 0 "[ . 1 . 2]" 1
1807 4 14 TYR H 4 14 TYR QD . . 4.810 4.334 3.910 4.687 . 0 0 "[ . 1 . 2]" 1
1808 4 14 TYR HA 4 14 TYR QD . . 2.990 2.565 2.103 2.998 0.008 14 0 "[ . 1 . 2]" 1
1809 4 14 TYR HB2 4 15 THR H . . 4.390 3.963 3.384 4.450 0.060 1 0 "[ . 1 . 2]" 1
1810 4 14 TYR HB3 4 15 THR H . . 4.390 3.117 1.923 4.193 . 0 0 "[ . 1 . 2]" 1
1811 4 14 TYR QD 4 15 THR H . . 4.730 3.716 2.428 4.803 0.073 13 0 "[ . 1 . 2]" 1
1812 4 15 THR H 4 15 THR HB . . 3.970 3.806 3.458 4.057 0.087 17 0 "[ . 1 . 2]" 1
1813 4 15 THR H 4 15 THR MG . . 4.080 2.590 2.244 3.043 . 0 0 "[ . 1 . 2]" 1
1814 4 15 THR HA 4 15 THR HB . . 2.400 2.457 2.439 2.478 0.078 16 0 "[ . 1 . 2]" 1
1815 4 15 THR HA 4 15 THR MG . . 3.080 2.360 2.268 3.201 0.121 19 0 "[ . 1 . 2]" 1
1816 4 15 THR HA 4 16 GLU H . . 3.370 2.561 1.970 3.426 0.056 1 0 "[ . 1 . 2]" 1
1817 4 15 THR HB 4 16 GLU H . . 5.500 4.071 2.554 4.431 . 0 0 "[ . 1 . 2]" 1
1818 4 15 THR MG 4 16 GLU H . . 4.690 4.091 2.664 4.422 . 0 0 "[ . 1 . 2]" 1
1819 4 16 GLU H 4 16 GLU HB3 . . 3.890 3.103 2.341 3.980 0.090 1 0 "[ . 1 . 2]" 1
1820 4 16 GLU H 4 16 GLU QG . . 4.180 2.329 1.748 3.521 . 0 0 "[ . 1 . 2]" 1
1821 4 16 GLU HA 4 16 GLU QG . . 3.300 3.183 2.857 3.457 0.157 10 0 "[ . 1 . 2]" 1
1822 4 16 GLU HA 4 17 GLU H . . 3.400 2.661 2.121 3.494 0.094 6 0 "[ . 1 . 2]" 1
1823 4 16 GLU HB2 4 16 GLU QG . . 2.400 2.263 2.117 2.430 0.030 12 0 "[ . 1 . 2]" 1
1824 4 16 GLU HB3 4 16 GLU QG . . 2.400 2.347 2.233 2.407 0.007 15 0 "[ . 1 . 2]" 1
1825 4 17 GLU H 4 17 GLU HB2 . . 3.880 3.398 2.482 3.990 0.110 17 0 "[ . 1 . 2]" 1
1826 4 17 GLU H 4 17 GLU QB . . 3.380 2.898 2.444 3.426 0.046 17 0 "[ . 1 . 2]" 1
1827 4 17 GLU H 4 17 GLU HB3 . . 3.880 3.359 2.656 3.936 0.056 6 0 "[ . 1 . 2]" 1
1828 4 17 GLU H 4 17 GLU QG . . 3.950 2.960 1.951 4.118 0.168 12 0 "[ . 1 . 2]" 1
1829 4 17 GLU HA 4 17 GLU QG . . 3.190 2.895 2.401 3.306 0.116 3 0 "[ . 1 . 2]" 1
1830 4 17 GLU HA 4 18 MET H . . 3.450 3.038 2.130 3.527 0.077 17 0 "[ . 1 . 2]" 1
1831 4 17 GLU HB2 4 17 GLU QG . . 2.400 2.321 2.175 2.377 . 0 0 "[ . 1 . 2]" 1
1832 4 17 GLU HB3 4 17 GLU QG . . 2.400 2.294 2.163 2.355 . 0 0 "[ . 1 . 2]" 1
1833 4 18 MET H 4 18 MET QB . . 3.490 2.852 2.285 3.365 . 0 0 "[ . 1 . 2]" 1
1834 4 18 MET H 4 18 MET QG . . 4.390 3.586 2.412 4.457 0.067 14 0 "[ . 1 . 2]" 1
1835 4 18 MET HA 4 18 MET QG . . 3.660 2.652 2.418 3.501 . 0 0 "[ . 1 . 2]" 1
1836 4 22 ASP QB 4 23 TYS H . . 4.410 2.129 1.599 2.653 . 0 0 "[ . 1 . 2]" 1
1837 4 22 ASP QB 4 25 SER QB . . 4.270 4.190 3.970 4.328 0.058 5 0 "[ . 1 . 2]" 1
1838 4 22 ASP HB2 4 25 SER HB2 . . 5.500 5.274 4.912 5.658 0.158 14 0 "[ . 1 . 2]" 1
1839 4 22 ASP HB2 4 25 SER HB3 . . 5.500 5.509 4.841 5.702 0.202 18 0 "[ . 1 . 2]" 1
1840 4 22 ASP HB3 4 25 SER HB2 . . 5.500 5.195 4.518 5.723 0.223 6 0 "[ . 1 . 2]" 1
1841 4 22 ASP HB3 4 25 SER HB3 . . 5.500 5.401 4.723 5.746 0.246 12 0 "[ . 1 . 2]" 1
1842 4 23 TYS H 4 24 ASP H . . 4.970 3.330 2.510 4.225 . 0 0 "[ . 1 . 2]" 1
1843 4 23 TYS HB2 4 24 ASP H . . 4.670 4.022 2.445 4.536 . 0 0 "[ . 1 . 2]" 1
1844 4 23 TYS HB3 4 24 ASP H . . 4.870 3.986 1.813 4.515 . 0 0 "[ . 1 . 2]" 1
1845 4 24 ASP H 4 24 ASP HB2 . . 4.160 3.120 2.693 3.530 . 0 0 "[ . 1 . 2]" 1
1846 4 24 ASP H 4 24 ASP HB3 . . 4.160 3.523 2.946 3.827 . 0 0 "[ . 1 . 2]" 1
1847 4 26 MET HA 4 26 MET HG2 . . 4.240 3.209 2.440 3.868 . 0 0 "[ . 1 . 2]" 1
1848 4 26 MET HA 4 26 MET QG . . 3.670 2.676 2.311 3.147 . 0 0 "[ . 1 . 2]" 1
1849 4 26 MET HA 4 26 MET HG3 . . 4.240 2.971 2.515 3.837 . 0 0 "[ . 1 . 2]" 1
1850 4 26 MET HA 4 27 LYS H . . 3.540 2.364 2.059 2.833 . 0 0 "[ . 1 . 2]" 1
1851 4 26 MET QB 4 26 MET QG . . 2.310 2.039 1.979 2.080 . 0 0 "[ . 1 . 2]" 1
1852 4 26 MET HB2 4 26 MET HG2 . . 2.980 2.760 2.374 3.003 0.023 15 0 "[ . 1 . 2]" 1
1853 4 26 MET HB2 4 26 MET HG3 . . 2.980 2.594 2.371 3.003 0.023 16 0 "[ . 1 . 2]" 1
1854 4 26 MET HB3 4 26 MET HG2 . . 2.980 2.490 2.393 3.002 0.022 6 0 "[ . 1 . 2]" 1
1855 4 26 MET HB3 4 26 MET HG3 . . 2.980 2.772 2.400 3.004 0.024 10 0 "[ . 1 . 2]" 1
1856 4 27 LYS H 4 27 LYS HB2 . . 3.850 3.156 2.395 3.921 0.071 10 0 "[ . 1 . 2]" 1
1857 4 27 LYS H 4 27 LYS HB3 . . 3.850 3.372 2.705 3.839 . 0 0 "[ . 1 . 2]" 1
1858 4 27 LYS H 4 27 LYS QD . . 4.610 3.810 1.847 4.713 0.103 19 0 "[ . 1 . 2]" 1
1859 4 27 LYS H 4 27 LYS QG . . 4.150 3.359 2.053 4.221 0.071 19 0 "[ . 1 . 2]" 1
1860 4 27 LYS HA 4 27 LYS QD . . 4.260 3.019 1.886 4.386 0.126 2 0 "[ . 1 . 2]" 1
1861 4 27 LYS HA 4 27 LYS QE . . 4.660 3.776 1.845 4.517 . 0 0 "[ . 1 . 2]" 1
1862 4 27 LYS HA 4 27 LYS QG . . 3.860 2.971 2.439 3.541 . 0 0 "[ . 1 . 2]" 1
1863 4 27 LYS HA 4 28 GLU H . . 3.230 2.626 2.346 3.071 . 0 0 "[ . 1 . 2]" 1
1864 4 27 LYS QB 4 27 LYS QD . . 2.370 2.347 2.099 2.604 0.234 15 0 "[ . 1 . 2]" 1
1865 4 27 LYS QB 4 27 LYS QE . . 3.380 2.613 1.909 3.509 0.129 11 0 "[ . 1 . 2]" 1
1866 4 27 LYS QB 4 28 GLU H . . 3.650 2.268 1.756 3.262 . 0 0 "[ . 1 . 2]" 1
1867 4 27 LYS HB2 4 27 LYS QE . . 4.050 3.221 1.922 4.113 0.063 5 0 "[ . 1 . 2]" 1
1868 4 27 LYS HB2 4 28 GLU H . . 4.300 3.062 1.778 3.807 . 0 0 "[ . 1 . 2]" 1
1869 4 27 LYS HB3 4 27 LYS QE . . 4.050 3.136 1.921 3.882 . 0 0 "[ . 1 . 2]" 1
1870 4 27 LYS HB3 4 28 GLU H . . 4.300 2.763 1.763 3.799 . 0 0 "[ . 1 . 2]" 1
1871 4 27 LYS QE 4 27 LYS QG . . 3.290 2.370 2.018 2.820 . 0 0 "[ . 1 . 2]" 1
1872 4 27 LYS QG 4 28 GLU H . . 4.580 3.137 1.585 4.057 . 0 0 "[ . 1 . 2]" 1
1873 4 28 GLU H 4 29 PRO HD2 . . 4.830 4.626 3.971 4.937 0.107 18 0 "[ . 1 . 2]" 1
1874 4 28 GLU H 4 29 PRO QD . . 4.230 4.107 3.449 4.310 0.080 17 0 "[ . 1 . 2]" 1
1875 4 28 GLU H 4 29 PRO HD3 . . 4.830 4.639 3.787 5.033 0.203 12 0 "[ . 1 . 2]" 1
1876 4 29 PRO HA 4 30 ALA H . . 3.280 2.285 1.969 3.398 0.118 10 0 "[ . 1 . 2]" 1
1877 4 29 PRO HB2 4 30 ALA H . . 4.330 3.491 2.547 4.219 . 0 0 "[ . 1 . 2]" 1
1878 4 29 PRO HB3 4 30 ALA H . . 4.330 3.911 3.552 4.316 . 0 0 "[ . 1 . 2]" 1
1879 4 29 PRO QD 4 30 ALA H . . 4.830 4.499 2.695 4.867 0.037 7 0 "[ . 1 . 2]" 1
1880 4 29 PRO QG 4 30 ALA H . . 4.590 4.246 2.055 4.671 0.081 12 0 "[ . 1 . 2]" 1
1881 4 30 ALA H 4 30 ALA MB . . 3.200 2.434 2.271 2.936 . 0 0 "[ . 1 . 2]" 1
1882 4 30 ALA HA 4 31 PHE H . . 3.240 2.886 2.135 3.442 0.202 4 0 "[ . 1 . 2]" 1
1883 4 30 ALA MB 4 31 PHE H . . 3.760 3.139 1.772 3.668 . 0 0 "[ . 1 . 2]" 1
1884 4 31 PHE H 4 31 PHE HB2 . . 3.730 2.849 2.332 3.611 . 0 0 "[ . 1 . 2]" 1
1885 4 31 PHE H 4 31 PHE QB . . 3.240 2.673 2.214 3.184 . 0 0 "[ . 1 . 2]" 1
1886 4 31 PHE H 4 31 PHE HB3 . . 3.730 3.443 2.561 3.960 0.230 4 0 "[ . 1 . 2]" 1
1887 4 31 PHE H 4 31 PHE QD . . 4.500 3.899 3.088 4.511 0.011 18 0 "[ . 1 . 2]" 1
1888 4 31 PHE HA 4 31 PHE QD . . 3.460 2.237 1.943 2.725 . 0 0 "[ . 1 . 2]" 1
1889 4 31 PHE HA 4 31 PHE QE . . 4.060 4.187 4.118 4.291 0.231 20 0 "[ . 1 . 2]" 1
1890 4 31 PHE HB2 4 32 ARG H . . 4.540 3.870 2.396 4.551 0.011 8 0 "[ . 1 . 2]" 1
1891 4 31 PHE HB3 4 32 ARG H . . 4.540 3.498 2.346 4.437 . 0 0 "[ . 1 . 2]" 1
1892 4 32 ARG H 4 32 ARG QB . . 3.590 2.639 2.164 3.410 . 0 0 "[ . 1 . 2]" 1
1893 4 32 ARG H 4 32 ARG QG . . 4.080 3.121 2.102 4.164 0.084 5 0 "[ . 1 . 2]" 1
1894 4 32 ARG HA 4 32 ARG QD . . 4.480 4.002 2.219 4.514 0.034 13 0 "[ . 1 . 2]" 1
1895 4 32 ARG HA 4 32 ARG QG . . 3.720 2.607 2.369 3.348 . 0 0 "[ . 1 . 2]" 1
1896 4 32 ARG HA 4 33 GLU H . . 3.320 2.471 2.095 3.427 0.107 17 0 "[ . 1 . 2]" 1
1897 4 32 ARG HB2 4 32 ARG QD . . 3.800 2.543 2.236 3.524 . 0 0 "[ . 1 . 2]" 1
1898 4 32 ARG HB3 4 32 ARG QD . . 3.800 2.527 2.283 2.934 . 0 0 "[ . 1 . 2]" 1
1899 4 32 ARG QG 4 33 GLU H . . 4.900 3.588 1.988 4.585 . 0 0 "[ . 1 . 2]" 1
1900 4 33 GLU H 4 33 GLU QB . . 3.610 2.605 2.241 3.341 . 0 0 "[ . 1 . 2]" 1
1901 4 33 GLU H 4 33 GLU QG . . 4.740 3.238 2.192 4.421 . 0 0 "[ . 1 . 2]" 1
1902 4 33 GLU HA 4 33 GLU QG . . 3.130 2.534 2.259 2.995 . 0 0 "[ . 1 . 2]" 1
1903 4 33 GLU HA 4 34 GLU H . . 3.270 2.110 1.851 2.488 . 0 0 "[ . 1 . 2]" 1
1904 4 33 GLU QB 4 34 GLU H . . 3.450 3.370 1.986 3.683 0.233 8 0 "[ . 1 . 2]" 1
1905 4 33 GLU HB2 4 33 GLU QG . . 2.400 2.313 2.145 2.412 0.012 5 0 "[ . 1 . 2]" 1
1906 4 33 GLU HB2 4 34 GLU H . . 4.190 4.105 3.372 4.282 0.092 4 0 "[ . 1 . 2]" 1
1907 4 33 GLU HB3 4 33 GLU QG . . 2.400 2.327 2.161 2.417 0.017 8 0 "[ . 1 . 2]" 1
1908 4 33 GLU HB3 4 34 GLU H . . 4.190 3.626 2.000 4.183 . 0 0 "[ . 1 . 2]" 1
1909 4 33 GLU QG 4 34 GLU H . . 4.520 3.520 2.395 4.353 . 0 0 "[ . 1 . 2]" 1
1910 4 34 GLU H 4 34 GLU HB2 . . 3.910 2.768 2.417 3.587 . 0 0 "[ . 1 . 2]" 1
1911 4 34 GLU H 4 34 GLU QB . . 3.360 2.587 2.384 2.984 . 0 0 "[ . 1 . 2]" 1
1912 4 34 GLU H 4 34 GLU HB3 . . 3.910 3.498 2.546 3.963 0.053 15 0 "[ . 1 . 2]" 1
1913 4 34 GLU H 4 34 GLU QG . . 4.040 3.031 1.930 4.217 0.177 3 0 "[ . 1 . 2]" 1
1914 4 34 GLU HA 4 34 GLU QG . . 3.200 2.532 2.320 3.299 0.099 12 0 "[ . 1 . 2]" 1
1915 4 34 GLU HB2 4 34 GLU QG . . 2.400 2.308 2.092 2.385 . 0 0 "[ . 1 . 2]" 1
1916 4 34 GLU HB3 4 34 GLU QG . . 2.400 2.336 2.275 2.371 . 0 0 "[ . 1 . 2]" 1
1917 4 38 PHE HA 4 38 PHE QD . . 3.510 2.488 2.297 2.824 . 0 0 "[ . 1 . 2]" 1
1918 4 38 PHE HA 4 38 PHE QE . . 4.260 4.360 4.330 4.401 0.141 10 0 "[ . 1 . 2]" 1
1919 4 40 LYS HA 4 40 LYS QE . . 4.760 4.470 3.734 4.848 0.088 1 0 "[ . 1 . 2]" 1
1920 4 40 LYS QB 4 40 LYS QE . . 3.260 2.978 1.897 3.468 0.208 12 0 "[ . 1 . 2]" 1
1921 4 40 LYS HB2 4 40 LYS QD . . 2.400 2.319 2.188 2.545 0.145 3 0 "[ . 1 . 2]" 1
1922 4 40 LYS HB3 4 40 LYS QD . . 2.400 2.329 2.212 2.561 0.161 13 0 "[ . 1 . 2]" 1
stop_
save_