NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
379537 |
1hue   |
4047 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hue
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 2413
_Distance_constraint_stats_list.Viol_count 7031
_Distance_constraint_stats_list.Viol_total 13996.378
_Distance_constraint_stats_list.Viol_max 0.971
_Distance_constraint_stats_list.Viol_rms 0.0372
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0093
_Distance_constraint_stats_list.Viol_average_violations_only 0.0796
_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 1 MET 1.049 0.151 5 0 "[ . 1 . 2 .]"
1 2 ASN 15.735 0.379 19 0 "[ . 1 . 2 .]"
1 3 LYS 8.838 0.254 20 0 "[ . 1 . 2 .]"
1 4 THR 5.665 0.174 23 0 "[ . 1 . 2 .]"
1 5 GLU 8.439 0.314 5 0 "[ . 1 . 2 .]"
1 6 LEU 19.507 0.386 14 0 "[ . 1 . 2 .]"
1 7 ILE 2.733 0.078 19 0 "[ . 1 . 2 .]"
1 8 ASN 5.607 0.164 10 0 "[ . 1 . 2 .]"
1 9 ALA 3.764 0.169 10 0 "[ . 1 . 2 .]"
1 10 VAL 4.356 0.136 2 0 "[ . 1 . 2 .]"
1 11 ALA 10.559 0.283 10 0 "[ . 1 . 2 .]"
1 12 GLU 7.411 0.169 10 0 "[ . 1 . 2 .]"
1 13 THR 10.928 0.332 13 0 "[ . 1 . 2 .]"
1 14 SER 11.421 0.332 13 0 "[ . 1 . 2 .]"
1 15 GLY 1.831 0.092 16 0 "[ . 1 . 2 .]"
1 16 LEU 5.178 0.549 10 1 "[ . + . 2 .]"
1 17 SER 11.208 0.182 10 0 "[ . 1 . 2 .]"
1 18 LYS 2.958 0.071 21 0 "[ . 1 . 2 .]"
1 19 LYS 0.682 0.080 10 0 "[ . 1 . 2 .]"
1 20 ASP 5.699 0.182 10 0 "[ . 1 . 2 .]"
1 21 ALA 1.056 0.069 10 0 "[ . 1 . 2 .]"
1 22 THR 4.327 0.415 16 0 "[ . 1 . 2 .]"
1 23 LYS 10.177 0.415 16 0 "[ . 1 . 2 .]"
1 24 ALA 7.112 0.179 14 0 "[ . 1 . 2 .]"
1 25 VAL 6.223 0.170 14 0 "[ . 1 . 2 .]"
1 26 ASP 6.673 0.203 14 0 "[ . 1 . 2 .]"
1 27 ALA 4.582 0.175 20 0 "[ . 1 . 2 .]"
1 28 VAL 1.023 0.062 1 0 "[ . 1 . 2 .]"
1 29 PHE 8.051 0.204 17 0 "[ . 1 . 2 .]"
1 30 ASP 12.321 0.203 10 0 "[ . 1 . 2 .]"
1 31 SER 8.348 0.203 10 0 "[ . 1 . 2 .]"
1 32 ILE 3.095 0.162 10 0 "[ . 1 . 2 .]"
1 33 THR 5.694 0.184 16 0 "[ . 1 . 2 .]"
1 34 GLU 4.018 0.172 5 0 "[ . 1 . 2 .]"
1 35 ALA 9.069 0.238 5 0 "[ . 1 . 2 .]"
1 36 LEU 18.394 0.298 12 0 "[ . 1 . 2 .]"
1 37 ARG 10.239 0.298 12 0 "[ . 1 . 2 .]"
1 38 LYS 9.075 0.238 5 0 "[ . 1 . 2 .]"
1 39 GLY 1.210 0.092 22 0 "[ . 1 . 2 .]"
1 40 ASP 1.645 0.106 25 0 "[ . 1 . 2 .]"
1 41 LYS 2.374 0.144 17 0 "[ . 1 . 2 .]"
1 42 VAL 6.146 0.264 13 0 "[ . 1 . 2 .]"
1 43 GLN 11.355 0.333 2 0 "[ . 1 . 2 .]"
1 44 LEU 1.375 0.150 2 0 "[ . 1 . 2 .]"
1 45 ILE 5.275 0.312 8 0 "[ . 1 . 2 .]"
1 46 GLY 2.049 0.312 8 0 "[ . 1 . 2 .]"
1 47 PHE 10.744 0.191 10 0 "[ . 1 . 2 .]"
1 48 GLY 3.821 0.246 20 0 "[ . 1 . 2 .]"
1 49 ASN 1.386 0.602 9 1 "[ . +1 . 2 .]"
1 50 PHE 7.279 0.348 6 0 "[ . 1 . 2 .]"
1 51 GLU 1.918 0.177 20 0 "[ . 1 . 2 .]"
1 52 VAL 0.056 0.030 13 0 "[ . 1 . 2 .]"
1 53 ARG 2.117 0.229 23 0 "[ . 1 . 2 .]"
1 54 GLU 0.928 0.426 13 0 "[ . 1 . 2 .]"
1 55 ARG 1.011 0.225 16 0 "[ . 1 . 2 .]"
1 56 ALA 0.611 0.258 15 0 "[ . 1 . 2 .]"
1 57 ALA 8.793 0.297 24 0 "[ . 1 . 2 .]"
1 58 ARG 7.262 0.297 24 0 "[ . 1 . 2 .]"
1 59 LYS 0.844 0.231 16 0 "[ . 1 . 2 .]"
1 60 GLY 5.459 0.731 4 2 "[ +. 1 . 2- .]"
1 61 ARG 5.064 0.574 8 1 "[ . + 1 . 2 .]"
1 62 ASN 4.294 0.290 12 0 "[ . 1 . 2 .]"
1 63 PRO 3.046 0.812 11 3 "[ . 1+ .* - .]"
1 64 GLN 2.190 0.133 24 0 "[ . 1 . 2 .]"
1 65 THR 4.931 0.322 16 0 "[ . 1 . 2 .]"
1 66 GLY 3.830 0.812 11 3 "[ . 1+ .* - .]"
1 67 GLU 13.539 0.472 8 0 "[ . 1 . 2 .]"
1 68 GLU 10.543 0.574 8 1 "[ . + 1 . 2 .]"
1 69 MET 4.638 0.731 4 2 "[ +. 1 . 2- .]"
1 70 GLU 1.681 0.151 19 0 "[ . 1 . 2 .]"
1 71 ILE 0.605 0.109 19 0 "[ . 1 . 2 .]"
1 72 PRO 0.324 0.065 19 0 "[ . 1 . 2 .]"
1 73 ALA 0.105 0.038 11 0 "[ . 1 . 2 .]"
1 74 SER 2.664 0.233 16 0 "[ . 1 . 2 .]"
1 75 LYS 3.778 0.426 13 0 "[ . 1 . 2 .]"
1 76 VAL 5.255 0.216 25 0 "[ . 1 . 2 .]"
1 77 PRO 0.951 0.111 13 0 "[ . 1 . 2 .]"
1 78 ALA 0.672 0.050 1 0 "[ . 1 . 2 .]"
1 79 PHE 11.450 0.348 6 0 "[ . 1 . 2 .]"
1 80 LYS 13.356 0.602 9 1 "[ . +1 . 2 .]"
1 81 PRO 1.708 0.184 20 0 "[ . 1 . 2 .]"
1 82 GLY 5.078 0.246 20 0 "[ . 1 . 2 .]"
1 83 LYS 15.369 0.532 9 1 "[ . +1 . 2 .]"
1 84 ALA 11.414 0.158 25 0 "[ . 1 . 2 .]"
1 85 LEU 22.269 0.342 9 0 "[ . 1 . 2 .]"
1 86 LYS 7.105 0.116 14 0 "[ . 1 . 2 .]"
1 87 ASP 9.426 0.150 8 0 "[ . 1 . 2 .]"
1 88 ALA 0.512 0.041 4 0 "[ . 1 . 2 .]"
1 89 VAL 6.126 0.181 4 0 "[ . 1 . 2 .]"
1 90 LYS 1.949 0.093 18 0 "[ . 1 . 2 .]"
2 1 MET 0.538 0.055 15 0 "[ . 1 . 2 .]"
2 2 ASN 15.645 0.567 4 1 "[ +. 1 . 2 .]"
2 3 LYS 8.712 0.567 4 1 "[ +. 1 . 2 .]"
2 4 THR 5.759 0.183 23 0 "[ . 1 . 2 .]"
2 5 GLU 8.049 0.308 6 0 "[ . 1 . 2 .]"
2 6 LEU 19.396 0.376 24 0 "[ . 1 . 2 .]"
2 7 ILE 2.344 0.052 16 0 "[ . 1 . 2 .]"
2 8 ASN 5.387 0.174 2 0 "[ . 1 . 2 .]"
2 9 ALA 4.033 0.172 17 0 "[ . 1 . 2 .]"
2 10 VAL 4.493 0.147 17 0 "[ . 1 . 2 .]"
2 11 ALA 10.623 0.307 17 0 "[ . 1 . 2 .]"
2 12 GLU 7.933 0.194 17 0 "[ . 1 . 2 .]"
2 13 THR 11.306 0.322 12 0 "[ . 1 . 2 .]"
2 14 SER 11.908 0.322 12 0 "[ . 1 . 2 .]"
2 15 GLY 2.056 0.194 17 0 "[ . 1 . 2 .]"
2 16 LEU 4.063 0.173 8 0 "[ . 1 . 2 .]"
2 17 SER 10.832 0.191 17 0 "[ . 1 . 2 .]"
2 18 LYS 3.330 0.123 5 0 "[ . 1 . 2 .]"
2 19 LYS 0.683 0.077 5 0 "[ . 1 . 2 .]"
2 20 ASP 5.771 0.191 17 0 "[ . 1 . 2 .]"
2 21 ALA 0.997 0.065 5 0 "[ . 1 . 2 .]"
2 22 THR 4.441 0.417 20 0 "[ . 1 . 2 .]"
2 23 LYS 10.268 0.417 20 0 "[ . 1 . 2 .]"
2 24 ALA 8.176 0.549 10 1 "[ . + . 2 .]"
2 25 VAL 5.820 0.168 17 0 "[ . 1 . 2 .]"
2 26 ASP 6.907 0.203 5 0 "[ . 1 . 2 .]"
2 27 ALA 4.934 0.184 12 0 "[ . 1 . 2 .]"
2 28 VAL 0.911 0.069 13 0 "[ . 1 . 2 .]"
2 29 PHE 7.898 0.227 12 0 "[ . 1 . 2 .]"
2 30 ASP 12.499 0.187 5 0 "[ . 1 . 2 .]"
2 31 SER 5.846 0.187 5 0 "[ . 1 . 2 .]"
2 32 ILE 3.051 0.148 18 0 "[ . 1 . 2 .]"
2 33 THR 5.830 0.190 1 0 "[ . 1 . 2 .]"
2 34 GLU 4.612 0.177 4 0 "[ . 1 . 2 .]"
2 35 ALA 5.702 0.246 7 0 "[ . 1 . 2 .]"
2 36 LEU 17.242 0.289 1 0 "[ . 1 . 2 .]"
2 37 ARG 10.410 0.289 1 0 "[ . 1 . 2 .]"
2 38 LYS 9.431 0.246 7 0 "[ . 1 . 2 .]"
2 39 GLY 1.332 0.115 7 0 "[ . 1 . 2 .]"
2 40 ASP 1.804 0.115 7 0 "[ . 1 . 2 .]"
2 41 LYS 2.616 0.188 7 0 "[ . 1 . 2 .]"
2 42 VAL 7.398 0.330 25 0 "[ . 1 . 2 .]"
2 43 GLN 11.908 0.379 19 0 "[ . 1 . 2 .]"
2 44 LEU 1.539 0.130 18 0 "[ . 1 . 2 .]"
2 45 ILE 5.477 0.311 22 0 "[ . 1 . 2 .]"
2 46 GLY 2.084 0.311 22 0 "[ . 1 . 2 .]"
2 47 PHE 10.743 0.231 4 0 "[ . 1 . 2 .]"
2 48 GLY 3.881 0.242 6 0 "[ . 1 . 2 .]"
2 49 ASN 0.801 0.308 7 0 "[ . 1 . 2 .]"
2 50 PHE 7.583 0.444 11 0 "[ . 1 . 2 .]"
2 51 GLU 2.243 0.176 6 0 "[ . 1 . 2 .]"
2 52 VAL 0.190 0.074 11 0 "[ . 1 . 2 .]"
2 53 ARG 2.066 0.222 17 0 "[ . 1 . 2 .]"
2 54 GLU 0.269 0.222 17 0 "[ . 1 . 2 .]"
2 55 ARG 1.025 0.279 7 0 "[ . 1 . 2 .]"
2 56 ALA 0.488 0.279 7 0 "[ . 1 . 2 .]"
2 57 ALA 8.713 0.291 21 0 "[ . 1 . 2 .]"
2 58 ARG 8.305 0.971 12 2 "[ . 1 + -. 2 .]"
2 59 LYS 1.975 0.971 12 2 "[ . 1 + -. 2 .]"
2 60 GLY 3.546 0.357 5 0 "[ . 1 . 2 .]"
2 61 ARG 1.756 0.481 16 0 "[ . 1 . 2 .]"
2 62 ASN 3.358 0.256 7 0 "[ . 1 . 2 .]"
2 63 PRO 1.660 0.564 19 2 "[ . 1 . +2 -]"
2 64 GLN 2.630 0.136 1 0 "[ . 1 . 2 .]"
2 65 THR 4.894 0.288 19 0 "[ . 1 . 2 .]"
2 66 GLY 2.232 0.564 19 2 "[ . 1 . +2 -]"
2 67 GLU 12.202 0.476 13 0 "[ . 1 . 2 .]"
2 68 GLU 9.519 0.481 16 0 "[ . 1 . 2 .]"
2 69 MET 2.616 0.357 5 0 "[ . 1 . 2 .]"
2 70 GLU 2.294 0.173 12 0 "[ . 1 . 2 .]"
2 71 ILE 0.888 0.256 9 0 "[ . 1 . 2 .]"
2 72 PRO 0.768 0.322 8 0 "[ . 1 . 2 .]"
2 73 ALA 0.506 0.322 8 0 "[ . 1 . 2 .]"
2 74 SER 2.393 0.159 9 0 "[ . 1 . 2 .]"
2 75 LYS 3.079 0.119 18 0 "[ . 1 . 2 .]"
2 76 VAL 4.771 0.210 24 0 "[ . 1 . 2 .]"
2 77 PRO 1.009 0.081 18 0 "[ . 1 . 2 .]"
2 78 ALA 0.685 0.074 11 0 "[ . 1 . 2 .]"
2 79 PHE 11.583 0.444 11 0 "[ . 1 . 2 .]"
2 80 LYS 12.472 0.449 6 0 "[ . 1 . 2 .]"
2 81 PRO 1.539 0.184 6 0 "[ . 1 . 2 .]"
2 82 GLY 5.003 0.242 6 0 "[ . 1 . 2 .]"
2 83 LYS 15.501 0.449 6 0 "[ . 1 . 2 .]"
2 84 ALA 11.530 0.161 11 0 "[ . 1 . 2 .]"
2 85 LEU 21.937 0.317 5 0 "[ . 1 . 2 .]"
2 86 LYS 7.115 0.179 4 0 "[ . 1 . 2 .]"
2 87 ASP 9.441 0.166 13 0 "[ . 1 . 2 .]"
2 88 ALA 0.446 0.034 4 0 "[ . 1 . 2 .]"
2 89 VAL 5.958 0.131 5 0 "[ . 1 . 2 .]"
2 90 LYS 2.022 0.219 13 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 ASN H 3.500 . 3.500 3.248 2.128 3.465 . 0 0 "[ . 1 . 2 .]" 1
2 2 1 MET HA 2 2 ASN H 3.500 . 3.500 3.253 2.119 3.477 . 0 0 "[ . 1 . 2 .]" 1
3 1 1 MET QG 1 2 ASN H 5.000 . 6.000 3.955 2.013 4.740 . 0 0 "[ . 1 . 2 .]" 1
4 2 1 MET QG 2 2 ASN H 5.000 . 6.000 3.901 2.028 4.704 . 0 0 "[ . 1 . 2 .]" 1
5 1 1 MET HA 1 2 ASN HA 5.000 . 5.000 4.917 4.093 5.151 0.151 5 0 "[ . 1 . 2 .]" 1
6 2 1 MET HA 2 2 ASN HA 5.000 . 5.000 4.943 4.220 5.055 0.055 15 0 "[ . 1 . 2 .]" 1
7 1 1 MET QB 1 3 LYS H 5.500 . 6.500 3.389 2.882 5.191 . 0 0 "[ . 1 . 2 .]" 1
8 2 1 MET QB 2 3 LYS H 5.500 . 6.500 3.310 2.874 4.933 . 0 0 "[ . 1 . 2 .]" 1
9 1 1 MET HA 1 5 GLU H 5.500 . 5.500 4.602 3.353 5.643 0.143 20 0 "[ . 1 . 2 .]" 1
10 2 1 MET HA 2 5 GLU H 5.500 . 5.500 4.563 3.757 5.545 0.045 12 0 "[ . 1 . 2 .]" 1
11 1 1 MET QB 1 6 LEU HG 5.000 . 6.000 4.665 2.483 5.466 . 0 0 "[ . 1 . 2 .]" 1
12 2 1 MET QB 2 6 LEU HG 5.000 . 6.000 4.601 3.430 5.547 . 0 0 "[ . 1 . 2 .]" 1
13 1 1 MET ME 1 6 LEU HG 5.000 . 5.300 4.109 3.287 4.357 . 0 0 "[ . 1 . 2 .]" 1
14 2 1 MET ME 2 6 LEU HG 5.000 . 5.300 4.154 2.811 4.384 . 0 0 "[ . 1 . 2 .]" 1
15 1 1 MET ME 1 6 LEU HA 5.500 . 5.800 3.923 3.458 4.389 . 0 0 "[ . 1 . 2 .]" 1
16 2 1 MET ME 2 6 LEU HA 5.500 . 5.800 3.927 3.468 4.348 . 0 0 "[ . 1 . 2 .]" 1
17 1 1 MET ME 1 6 LEU QD 5.000 . 7.700 3.201 1.957 4.190 . 0 0 "[ . 1 . 2 .]" 1
18 2 1 MET ME 2 6 LEU QD 5.000 . 7.700 2.999 1.942 4.231 . 0 0 "[ . 1 . 2 .]" 1
19 1 1 MET ME 1 9 ALA MB 5.000 . 5.600 3.591 3.051 3.833 . 0 0 "[ . 1 . 2 .]" 1
20 2 1 MET ME 2 9 ALA MB 5.000 . 5.600 3.616 3.153 3.790 . 0 0 "[ . 1 . 2 .]" 1
21 1 1 MET ME 2 31 SER HB2 5.000 . 5.300 2.582 2.252 3.041 . 0 0 "[ . 1 . 2 .]" 1
22 1 31 SER HB3 2 1 MET ME 5.000 . 5.300 2.354 2.057 2.933 . 0 0 "[ . 1 . 2 .]" 1
23 1 1 MET ME 2 31 SER HB3 5.000 . 5.300 2.254 2.092 2.731 . 0 0 "[ . 1 . 2 .]" 1
24 1 31 SER HB2 2 1 MET ME 5.000 . 5.300 2.331 2.104 2.734 . 0 0 "[ . 1 . 2 .]" 1
25 1 1 MET ME 2 32 ILE HA 3.500 . 3.800 2.747 2.209 3.250 . 0 0 "[ . 1 . 2 .]" 1
26 1 32 ILE HA 2 1 MET ME 3.500 . 3.800 2.780 2.200 3.199 . 0 0 "[ . 1 . 2 .]" 1
27 1 1 MET ME 2 32 ILE MD 5.000 . 5.600 3.435 2.964 3.769 . 0 0 "[ . 1 . 2 .]" 1
28 1 32 ILE MD 2 1 MET ME 5.000 . 5.600 3.372 2.334 3.793 . 0 0 "[ . 1 . 2 .]" 1
29 1 1 MET ME 2 32 ILE HB 5.500 . 5.800 4.725 4.281 4.935 . 0 0 "[ . 1 . 2 .]" 1
30 1 32 ILE HB 2 1 MET ME 5.500 . 5.800 4.695 4.130 4.941 . 0 0 "[ . 1 . 2 .]" 1
31 1 1 MET ME 2 35 ALA H 5.000 . 5.300 4.223 3.869 4.485 . 0 0 "[ . 1 . 2 .]" 1
32 1 35 ALA H 2 1 MET ME 5.000 . 5.300 4.192 3.670 4.496 . 0 0 "[ . 1 . 2 .]" 1
33 1 1 MET ME 2 35 ALA MB 5.000 . 5.600 2.795 2.499 3.339 . 0 0 "[ . 1 . 2 .]" 1
34 1 35 ALA MB 2 1 MET ME 5.000 . 5.600 2.754 2.270 3.076 . 0 0 "[ . 1 . 2 .]" 1
35 1 1 MET ME 2 42 VAL HA 5.000 . 5.300 3.280 2.510 3.854 . 0 0 "[ . 1 . 2 .]" 1
36 1 42 VAL HA 2 1 MET ME 5.000 . 5.300 3.287 2.686 3.765 . 0 0 "[ . 1 . 2 .]" 1
37 1 1 MET ME 2 42 VAL HB 5.500 . 5.800 4.513 4.248 4.719 . 0 0 "[ . 1 . 2 .]" 1
38 1 42 VAL HB 2 1 MET ME 5.500 . 5.800 4.500 4.224 4.697 . 0 0 "[ . 1 . 2 .]" 1
39 1 1 MET ME 2 42 VAL MG2 4.000 . 4.600 2.599 2.143 3.044 . 0 0 "[ . 1 . 2 .]" 1
40 1 42 VAL MG2 2 1 MET ME 4.000 . 4.600 2.545 2.180 2.979 . 0 0 "[ . 1 . 2 .]" 1
41 1 1 MET QB 2 42 VAL HA 5.000 . 6.000 2.845 2.045 3.973 . 0 0 "[ . 1 . 2 .]" 1
42 1 42 VAL HA 2 1 MET QB 5.000 . 6.000 3.034 2.247 4.406 . 0 0 "[ . 1 . 2 .]" 1
43 1 1 MET QG 2 42 VAL HA 5.000 . 6.000 3.182 2.120 4.207 . 0 0 "[ . 1 . 2 .]" 1
44 1 42 VAL HA 2 1 MET QG 5.000 . 6.000 2.926 2.151 4.380 . 0 0 "[ . 1 . 2 .]" 1
45 1 1 MET QG 2 43 GLN H 5.500 . 6.500 4.015 1.780 5.620 0.020 17 0 "[ . 1 . 2 .]" 1
46 1 43 GLN H 2 1 MET QG 5.500 . 6.500 3.831 1.806 5.465 . 0 0 "[ . 1 . 2 .]" 1
47 1 2 ASN H 1 2 ASN HD21 5.000 . 5.000 4.739 3.880 5.073 0.073 6 0 "[ . 1 . 2 .]" 1
48 2 2 ASN H 2 2 ASN HD21 5.000 . 5.000 4.799 4.346 5.062 0.062 19 0 "[ . 1 . 2 .]" 1
49 1 2 ASN H 1 3 LYS H 2.800 . 2.800 2.398 2.108 3.054 0.254 20 0 "[ . 1 . 2 .]" 1
50 2 2 ASN H 2 3 LYS H 2.800 . 2.800 2.383 2.101 3.075 0.275 2 0 "[ . 1 . 2 .]" 1
51 1 2 ASN HD22 1 3 LYS H 5.000 . 5.000 4.357 3.782 5.073 0.073 18 0 "[ . 1 . 2 .]" 1
52 2 2 ASN HD22 2 3 LYS H 5.000 . 5.000 4.351 3.872 5.567 0.567 4 1 "[ +. 1 . 2 .]" 1
53 1 2 ASN HB3 1 3 LYS QB 5.000 . 6.000 5.470 5.373 5.537 . 0 0 "[ . 1 . 2 .]" 1
54 2 2 ASN HB3 2 3 LYS QB 5.000 . 6.000 5.462 5.382 5.541 . 0 0 "[ . 1 . 2 .]" 1
55 1 2 ASN HB3 1 3 LYS H 4.000 . 4.000 4.078 4.034 4.133 0.133 22 0 "[ . 1 . 2 .]" 1
56 2 2 ASN HB3 2 3 LYS H 4.000 . 4.000 4.075 4.045 4.119 0.119 6 0 "[ . 1 . 2 .]" 1
57 1 2 ASN HB2 1 3 LYS H 4.000 . 4.000 3.978 3.809 4.067 0.067 5 0 "[ . 1 . 2 .]" 1
58 2 2 ASN HB2 2 3 LYS H 4.000 . 4.000 3.977 3.754 4.071 0.071 6 0 "[ . 1 . 2 .]" 1
59 1 2 ASN HA 1 3 LYS H 3.500 . 3.500 3.221 2.351 3.457 . 0 0 "[ . 1 . 2 .]" 1
60 2 2 ASN HA 2 3 LYS H 3.500 . 3.500 3.252 2.377 3.435 . 0 0 "[ . 1 . 2 .]" 1
61 1 2 ASN HA 1 3 LYS QB 5.000 . 6.000 4.275 3.759 4.446 . 0 0 "[ . 1 . 2 .]" 1
62 2 2 ASN HA 2 3 LYS QB 5.000 . 6.000 4.306 3.836 4.427 . 0 0 "[ . 1 . 2 .]" 1
63 1 2 ASN H 1 4 THR H 5.000 . 5.000 4.538 4.352 4.902 . 0 0 "[ . 1 . 2 .]" 1
64 2 2 ASN H 2 4 THR H 5.000 . 5.000 4.511 4.345 4.794 . 0 0 "[ . 1 . 2 .]" 1
65 1 2 ASN HA 1 4 THR H 5.000 . 5.000 4.788 4.164 5.011 0.011 2 0 "[ . 1 . 2 .]" 1
66 2 2 ASN HA 2 4 THR H 5.000 . 5.000 4.808 4.115 5.007 0.007 10 0 "[ . 1 . 2 .]" 1
67 1 2 ASN HB3 1 4 THR H 5.000 . 5.000 4.782 4.600 4.971 . 0 0 "[ . 1 . 2 .]" 1
68 2 2 ASN HB3 2 4 THR H 5.000 . 5.000 4.773 4.647 5.001 0.001 2 0 "[ . 1 . 2 .]" 1
69 1 2 ASN HD22 1 4 THR MG 5.000 . 5.300 3.577 3.295 4.338 . 0 0 "[ . 1 . 2 .]" 1
70 2 2 ASN HD22 2 4 THR MG 5.000 . 5.300 3.561 3.302 4.329 . 0 0 "[ . 1 . 2 .]" 1
71 1 2 ASN HD21 1 4 THR HB 5.000 . 5.000 3.594 2.157 5.012 0.012 22 0 "[ . 1 . 2 .]" 1
72 2 2 ASN HD21 2 4 THR HB 5.000 . 5.000 3.659 2.110 5.006 0.006 21 0 "[ . 1 . 2 .]" 1
73 1 2 ASN H 1 5 GLU H 4.000 . 4.000 4.135 4.064 4.314 0.314 5 0 "[ . 1 . 2 .]" 1
74 2 2 ASN H 2 5 GLU H 4.000 . 4.000 4.127 4.070 4.308 0.308 6 0 "[ . 1 . 2 .]" 1
75 1 2 ASN H 1 5 GLU QB 4.000 . 5.000 3.669 3.200 4.098 . 0 0 "[ . 1 . 2 .]" 1
76 2 2 ASN H 2 5 GLU QB 4.000 . 5.000 3.720 3.123 4.272 . 0 0 "[ . 1 . 2 .]" 1
77 1 2 ASN H 1 5 GLU QG 3.500 . 4.500 4.107 4.027 4.188 . 0 0 "[ . 1 . 2 .]" 1
78 2 2 ASN H 2 5 GLU QG 3.500 . 4.500 4.076 3.614 4.208 . 0 0 "[ . 1 . 2 .]" 1
79 1 2 ASN H 1 6 LEU H 5.000 . 5.000 4.599 4.165 5.065 0.065 18 0 "[ . 1 . 2 .]" 1
80 2 2 ASN H 2 6 LEU H 5.000 . 5.000 4.595 4.351 5.098 0.098 6 0 "[ . 1 . 2 .]" 1
81 1 2 ASN H 2 43 GLN HA 4.000 . 4.000 4.230 4.126 4.379 0.379 19 0 "[ . 1 . 2 .]" 1
82 1 43 GLN HA 2 2 ASN H 4.000 . 4.000 4.226 4.182 4.333 0.333 2 0 "[ . 1 . 2 .]" 1
83 1 2 ASN HA 2 43 GLN HA 4.000 . 4.000 4.070 3.923 4.119 0.119 1 0 "[ . 1 . 2 .]" 1
84 1 43 GLN HA 2 2 ASN HA 4.000 . 4.000 4.086 4.017 4.126 0.126 14 0 "[ . 1 . 2 .]" 1
85 1 2 ASN HA 2 43 GLN QB 4.000 . 5.000 2.011 1.906 2.723 . 0 0 "[ . 1 . 2 .]" 1
86 1 43 GLN QB 2 2 ASN HA 4.000 . 5.000 2.008 1.876 2.738 . 0 0 "[ . 1 . 2 .]" 1
87 1 2 ASN HA 2 43 GLN QG 5.000 . 6.000 4.125 3.740 4.719 . 0 0 "[ . 1 . 2 .]" 1
88 1 43 GLN QG 2 2 ASN HA 5.000 . 6.000 4.132 3.988 4.737 . 0 0 "[ . 1 . 2 .]" 1
89 1 3 LYS HA 1 4 THR H 5.000 . 5.000 3.549 3.404 3.677 . 0 0 "[ . 1 . 2 .]" 1
90 2 3 LYS HA 2 4 THR H 5.000 . 5.000 3.549 3.372 3.671 . 0 0 "[ . 1 . 2 .]" 1
91 1 3 LYS H 1 4 THR H 2.800 . 2.800 2.386 2.133 2.855 0.055 19 0 "[ . 1 . 2 .]" 1
92 2 3 LYS H 2 4 THR H 2.800 . 2.800 2.342 2.115 2.884 0.084 4 0 "[ . 1 . 2 .]" 1
93 1 3 LYS QB 1 4 THR H 3.500 . 4.500 3.265 2.995 3.520 . 0 0 "[ . 1 . 2 .]" 1
94 2 3 LYS QB 2 4 THR H 3.500 . 4.500 3.232 3.063 3.437 . 0 0 "[ . 1 . 2 .]" 1
95 1 3 LYS QG 1 4 THR H 5.500 . 6.500 4.357 4.005 4.615 . 0 0 "[ . 1 . 2 .]" 1
96 2 3 LYS QG 2 4 THR H 5.500 . 6.500 4.325 4.071 4.668 . 0 0 "[ . 1 . 2 .]" 1
97 1 3 LYS QG 1 4 THR HA 5.500 . 6.500 4.424 3.998 4.943 . 0 0 "[ . 1 . 2 .]" 1
98 2 3 LYS QG 2 4 THR HA 5.500 . 6.500 4.383 4.092 5.102 . 0 0 "[ . 1 . 2 .]" 1
99 1 3 LYS H 1 5 GLU H 5.000 . 5.000 2.728 2.457 3.619 . 0 0 "[ . 1 . 2 .]" 1
100 2 3 LYS H 2 5 GLU H 5.000 . 5.000 2.684 2.408 3.611 . 0 0 "[ . 1 . 2 .]" 1
101 1 3 LYS HA 1 5 GLU H 5.000 . 5.000 4.459 4.280 4.668 . 0 0 "[ . 1 . 2 .]" 1
102 2 3 LYS HA 2 5 GLU H 5.000 . 5.000 4.445 4.338 4.699 . 0 0 "[ . 1 . 2 .]" 1
103 1 3 LYS H 1 6 LEU H 4.000 . 4.000 3.198 2.830 3.611 . 0 0 "[ . 1 . 2 .]" 1
104 2 3 LYS H 2 6 LEU H 4.000 . 4.000 3.204 2.927 3.596 . 0 0 "[ . 1 . 2 .]" 1
105 1 3 LYS HA 1 6 LEU H 3.600 . 3.600 3.648 3.553 3.705 0.105 18 0 "[ . 1 . 2 .]" 1
106 2 3 LYS HA 2 6 LEU H 3.600 . 3.600 3.652 3.601 3.708 0.108 4 0 "[ . 1 . 2 .]" 1
107 1 3 LYS H 1 6 LEU HB3 5.000 . 5.000 4.767 4.444 5.004 0.004 13 0 "[ . 1 . 2 .]" 1
108 2 3 LYS H 2 6 LEU HB3 5.000 . 5.000 4.810 4.468 4.974 . 0 0 "[ . 1 . 2 .]" 1
109 1 3 LYS HA 1 6 LEU HB2 4.000 . 4.000 2.268 2.043 2.514 . 0 0 "[ . 1 . 2 .]" 1
110 2 3 LYS HA 2 6 LEU HB2 4.000 . 4.000 2.304 2.093 2.493 . 0 0 "[ . 1 . 2 .]" 1
111 1 3 LYS HA 1 6 LEU HB3 3.500 . 3.500 3.269 2.943 3.504 0.004 22 0 "[ . 1 . 2 .]" 1
112 2 3 LYS HA 2 6 LEU HB3 3.500 . 3.500 3.308 3.045 3.512 0.012 24 0 "[ . 1 . 2 .]" 1
113 1 3 LYS HA 1 6 LEU HG 4.000 . 4.000 4.061 3.801 4.237 0.237 9 0 "[ . 1 . 2 .]" 1
114 2 3 LYS HA 2 6 LEU HG 4.000 . 4.000 4.025 3.395 4.268 0.268 9 0 "[ . 1 . 2 .]" 1
115 1 3 LYS HA 1 6 LEU QD 5.000 . 7.400 2.434 2.064 3.138 . 0 0 "[ . 1 . 2 .]" 1
116 2 3 LYS HA 2 6 LEU QD 5.000 . 7.400 2.531 2.018 3.734 . 0 0 "[ . 1 . 2 .]" 1
117 1 3 LYS HA 1 7 ILE H 5.500 . 5.500 4.703 4.432 4.840 . 0 0 "[ . 1 . 2 .]" 1
118 2 3 LYS HA 2 7 ILE H 5.500 . 5.500 4.721 4.596 4.909 . 0 0 "[ . 1 . 2 .]" 1
119 1 3 LYS QB 2 44 LEU HA 5.000 . 6.000 2.234 2.078 2.559 . 0 0 "[ . 1 . 2 .]" 1
120 1 44 LEU HA 2 3 LYS QB 5.000 . 6.000 2.212 2.082 2.572 . 0 0 "[ . 1 . 2 .]" 1
121 1 3 LYS H 2 44 LEU QD 5.000 . 7.400 4.677 3.861 5.544 . 0 0 "[ . 1 . 2 .]" 1
122 1 44 LEU QD 2 3 LYS H 5.000 . 7.400 4.684 3.285 5.563 . 0 0 "[ . 1 . 2 .]" 1
123 1 3 LYS HA 2 44 LEU QD 4.000 . 6.400 3.332 2.183 4.301 . 0 0 "[ . 1 . 2 .]" 1
124 1 44 LEU QD 2 3 LYS HA 4.000 . 6.400 3.168 2.185 4.336 . 0 0 "[ . 1 . 2 .]" 1
125 1 3 LYS QB 2 44 LEU QD 5.000 . 8.400 3.838 2.991 4.468 . 0 0 "[ . 1 . 2 .]" 1
126 1 44 LEU QD 2 3 LYS QB 5.000 . 8.400 3.734 2.897 4.634 . 0 0 "[ . 1 . 2 .]" 1
127 1 3 LYS QB 2 45 ILE H 4.000 . 5.000 1.768 1.604 2.239 0.196 25 0 "[ . 1 . 2 .]" 1
128 1 45 ILE H 2 3 LYS QB 4.000 . 5.000 1.795 1.577 2.790 0.223 6 0 "[ . 1 . 2 .]" 1
129 1 4 THR H 1 4 THR MG 3.500 . 3.800 3.533 3.498 3.558 . 0 0 "[ . 1 . 2 .]" 1
130 2 4 THR H 2 4 THR MG 3.500 . 3.800 3.537 3.484 3.560 . 0 0 "[ . 1 . 2 .]" 1
131 1 4 THR H 1 5 GLU HA 5.000 . 5.000 5.007 4.882 5.065 0.065 2 0 "[ . 1 . 2 .]" 1
132 2 4 THR H 2 5 GLU HA 5.000 . 5.000 5.001 4.925 5.065 0.065 9 0 "[ . 1 . 2 .]" 1
133 1 4 THR H 1 5 GLU H 2.800 . 2.800 2.208 2.012 2.325 . 0 0 "[ . 1 . 2 .]" 1
134 2 4 THR H 2 5 GLU H 2.800 . 2.800 2.185 2.047 2.315 . 0 0 "[ . 1 . 2 .]" 1
135 1 4 THR H 1 5 GLU QG 5.500 . 6.500 4.475 3.971 5.592 . 0 0 "[ . 1 . 2 .]" 1
136 2 4 THR H 2 5 GLU QG 5.500 . 6.500 4.302 3.942 5.520 . 0 0 "[ . 1 . 2 .]" 1
137 1 4 THR HB 1 5 GLU H 2.800 . 2.800 2.869 2.838 2.900 0.100 22 0 "[ . 1 . 2 .]" 1
138 2 4 THR HB 2 5 GLU H 2.800 . 2.800 2.868 2.838 2.912 0.112 12 0 "[ . 1 . 2 .]" 1
139 1 4 THR HA 1 5 GLU H 4.000 . 4.000 3.564 3.449 3.739 . 0 0 "[ . 1 . 2 .]" 1
140 2 4 THR HA 2 5 GLU H 4.000 . 4.000 3.538 3.433 3.628 . 0 0 "[ . 1 . 2 .]" 1
141 1 4 THR MG 1 5 GLU H 5.000 . 5.300 3.554 3.430 3.677 . 0 0 "[ . 1 . 2 .]" 1
142 2 4 THR MG 2 5 GLU H 5.000 . 5.300 3.556 3.304 3.729 . 0 0 "[ . 1 . 2 .]" 1
143 1 4 THR MG 1 5 GLU HA 5.000 . 5.300 3.827 3.730 3.938 . 0 0 "[ . 1 . 2 .]" 1
144 2 4 THR MG 2 5 GLU HA 5.000 . 5.300 3.833 3.771 3.902 . 0 0 "[ . 1 . 2 .]" 1
145 1 4 THR H 1 6 LEU H 5.000 . 5.000 3.353 3.116 3.565 . 0 0 "[ . 1 . 2 .]" 1
146 2 4 THR H 2 6 LEU H 5.000 . 5.000 3.364 3.113 3.587 . 0 0 "[ . 1 . 2 .]" 1
147 1 4 THR H 1 6 LEU HB2 4.000 . 4.000 4.105 4.002 4.174 0.174 23 0 "[ . 1 . 2 .]" 1
148 2 4 THR H 2 6 LEU HB2 4.000 . 4.000 4.119 3.930 4.183 0.183 23 0 "[ . 1 . 2 .]" 1
149 1 4 THR HB 1 6 LEU H 5.000 . 5.000 4.594 4.402 4.712 . 0 0 "[ . 1 . 2 .]" 1
150 2 4 THR HB 2 6 LEU H 5.000 . 5.000 4.617 4.487 4.707 . 0 0 "[ . 1 . 2 .]" 1
151 1 4 THR MG 1 6 LEU H 5.000 . 5.300 4.522 4.488 4.582 . 0 0 "[ . 1 . 2 .]" 1
152 2 4 THR MG 2 6 LEU H 5.000 . 5.300 4.533 4.502 4.578 . 0 0 "[ . 1 . 2 .]" 1
153 1 4 THR HA 1 6 LEU H 3.500 . 3.500 3.526 3.474 3.567 0.067 16 0 "[ . 1 . 2 .]" 1
154 2 4 THR HA 2 6 LEU H 3.500 . 3.500 3.518 3.456 3.558 0.058 20 0 "[ . 1 . 2 .]" 1
155 1 4 THR HA 1 6 LEU HB2 5.500 . 5.500 4.458 4.058 4.656 . 0 0 "[ . 1 . 2 .]" 1
156 2 4 THR HA 2 6 LEU HB2 5.500 . 5.500 4.449 4.138 4.617 . 0 0 "[ . 1 . 2 .]" 1
157 1 4 THR H 1 7 ILE MD 5.000 . 5.300 4.248 4.032 4.340 . 0 0 "[ . 1 . 2 .]" 1
158 2 4 THR H 2 7 ILE MD 5.000 . 5.300 4.224 3.998 4.325 . 0 0 "[ . 1 . 2 .]" 1
159 1 4 THR HA 1 7 ILE H 3.600 . 3.600 2.810 2.521 3.073 . 0 0 "[ . 1 . 2 .]" 1
160 2 4 THR HA 2 7 ILE H 3.600 . 3.600 2.744 2.518 3.043 . 0 0 "[ . 1 . 2 .]" 1
161 1 4 THR HA 1 7 ILE HB 5.000 . 5.000 3.025 2.669 3.262 . 0 0 "[ . 1 . 2 .]" 1
162 2 4 THR HA 2 7 ILE HB 5.000 . 5.000 2.942 2.608 3.185 . 0 0 "[ . 1 . 2 .]" 1
163 1 4 THR HA 1 7 ILE MD 4.000 . 4.300 1.977 1.913 2.067 . 0 0 "[ . 1 . 2 .]" 1
164 2 4 THR HA 2 7 ILE MD 4.000 . 4.300 1.973 1.915 2.072 . 0 0 "[ . 1 . 2 .]" 1
165 1 4 THR MG 1 7 ILE MD 3.600 . 4.200 2.261 2.224 2.310 . 0 0 "[ . 1 . 2 .]" 1
166 2 4 THR MG 2 7 ILE MD 3.600 . 4.200 2.259 2.219 2.320 . 0 0 "[ . 1 . 2 .]" 1
167 1 4 THR HA 1 8 ASN H 5.000 . 5.000 4.323 4.021 4.503 . 0 0 "[ . 1 . 2 .]" 1
168 2 4 THR HA 2 8 ASN H 5.000 . 5.000 4.251 4.016 4.488 . 0 0 "[ . 1 . 2 .]" 1
169 1 4 THR MG 1 8 ASN HD21 5.000 . 5.300 3.251 2.971 3.631 . 0 0 "[ . 1 . 2 .]" 1
170 2 4 THR MG 2 8 ASN HD21 5.000 . 5.300 3.230 3.008 3.751 . 0 0 "[ . 1 . 2 .]" 1
171 1 4 THR MG 1 8 ASN HD22 5.000 . 5.300 3.345 3.046 3.646 . 0 0 "[ . 1 . 2 .]" 1
172 2 4 THR MG 2 8 ASN HD22 5.000 . 5.300 3.352 3.024 3.962 . 0 0 "[ . 1 . 2 .]" 1
173 1 5 GLU H 1 5 GLU QG 2.800 . 3.800 2.839 2.407 3.667 . 0 0 "[ . 1 . 2 .]" 1
174 2 5 GLU H 2 5 GLU QG 2.800 . 3.800 2.713 2.328 3.659 . 0 0 "[ . 1 . 2 .]" 1
175 1 5 GLU HA 1 5 GLU QG 2.800 . 3.800 3.216 2.964 3.296 . 0 0 "[ . 1 . 2 .]" 1
176 2 5 GLU HA 2 5 GLU QG 2.800 . 3.800 3.202 2.849 3.350 . 0 0 "[ . 1 . 2 .]" 1
177 1 5 GLU H 1 6 LEU HB2 5.000 . 5.000 3.924 3.676 4.078 . 0 0 "[ . 1 . 2 .]" 1
178 2 5 GLU H 2 6 LEU HB2 5.000 . 5.000 3.920 3.715 4.099 . 0 0 "[ . 1 . 2 .]" 1
179 1 5 GLU H 1 6 LEU HB3 5.000 . 5.000 5.046 5.014 5.086 0.086 23 0 "[ . 1 . 2 .]" 1
180 2 5 GLU H 2 6 LEU HB3 5.000 . 5.000 5.051 5.016 5.074 0.074 24 0 "[ . 1 . 2 .]" 1
181 1 5 GLU H 1 6 LEU H 2.800 . 2.800 2.276 2.157 2.380 . 0 0 "[ . 1 . 2 .]" 1
182 2 5 GLU H 2 6 LEU H 2.800 . 2.800 2.292 2.188 2.410 . 0 0 "[ . 1 . 2 .]" 1
183 1 5 GLU QG 1 6 LEU H 5.000 . 6.000 4.166 3.831 4.501 . 0 0 "[ . 1 . 2 .]" 1
184 2 5 GLU QG 2 6 LEU H 5.000 . 6.000 4.216 3.843 4.644 . 0 0 "[ . 1 . 2 .]" 1
185 1 5 GLU HA 1 6 LEU H 4.000 . 4.000 3.428 3.318 3.593 . 0 0 "[ . 1 . 2 .]" 1
186 2 5 GLU HA 2 6 LEU H 4.000 . 4.000 3.445 3.335 3.573 . 0 0 "[ . 1 . 2 .]" 1
187 1 5 GLU HA 1 6 LEU HA 5.000 . 5.000 4.939 4.814 5.006 0.006 9 0 "[ . 1 . 2 .]" 1
188 2 5 GLU HA 2 6 LEU HA 5.000 . 5.000 4.919 4.832 5.002 0.002 9 0 "[ . 1 . 2 .]" 1
189 1 5 GLU H 1 8 ASN H 5.000 . 5.000 5.056 5.018 5.103 0.103 10 0 "[ . 1 . 2 .]" 1
190 2 5 GLU H 2 8 ASN H 5.000 . 5.000 5.054 4.955 5.113 0.113 2 0 "[ . 1 . 2 .]" 1
191 1 5 GLU HA 1 8 ASN H 3.600 . 3.600 3.478 3.183 3.637 0.037 11 0 "[ . 1 . 2 .]" 1
192 2 5 GLU HA 2 8 ASN H 3.600 . 3.600 3.509 3.345 3.644 0.044 21 0 "[ . 1 . 2 .]" 1
193 1 5 GLU HA 1 8 ASN QB 3.500 . 4.500 2.982 2.823 3.209 . 0 0 "[ . 1 . 2 .]" 1
194 2 5 GLU HA 2 8 ASN QB 3.500 . 4.500 3.001 2.778 3.271 . 0 0 "[ . 1 . 2 .]" 1
195 1 5 GLU HA 1 8 ASN HD21 5.000 . 5.000 2.619 2.092 3.028 . 0 0 "[ . 1 . 2 .]" 1
196 2 5 GLU HA 2 8 ASN HD21 5.000 . 5.000 2.724 2.450 3.106 . 0 0 "[ . 1 . 2 .]" 1
197 1 5 GLU HA 1 8 ASN HD22 5.000 . 5.000 4.361 3.824 4.822 . 0 0 "[ . 1 . 2 .]" 1
198 2 5 GLU HA 2 8 ASN HD22 5.000 . 5.000 4.474 4.187 4.844 . 0 0 "[ . 1 . 2 .]" 1
199 1 5 GLU HA 1 9 ALA H 5.000 . 5.000 4.601 4.451 4.887 . 0 0 "[ . 1 . 2 .]" 1
200 2 5 GLU HA 2 9 ALA H 5.000 . 5.000 4.610 4.422 4.832 . 0 0 "[ . 1 . 2 .]" 1
201 1 6 LEU H 1 6 LEU HG 4.000 . 4.000 4.198 4.063 4.386 0.386 14 0 "[ . 1 . 2 .]" 1
202 2 6 LEU H 2 6 LEU HG 4.000 . 4.000 4.226 4.087 4.376 0.376 24 0 "[ . 1 . 2 .]" 1
203 1 6 LEU HA 1 6 LEU HG 4.000 . 4.000 2.766 2.301 3.562 . 0 0 "[ . 1 . 2 .]" 1
204 2 6 LEU HA 2 6 LEU HG 4.000 . 4.000 2.918 2.281 3.589 . 0 0 "[ . 1 . 2 .]" 1
205 1 6 LEU HB3 1 6 LEU HG 2.790 . 2.790 2.757 2.203 3.043 0.253 3 0 "[ . 1 . 2 .]" 1
206 2 6 LEU HB3 2 6 LEU HG 2.790 . 2.790 2.662 2.181 3.036 0.246 20 0 "[ . 1 . 2 .]" 1
207 1 6 LEU H 1 7 ILE H 2.800 . 2.800 2.446 2.313 2.587 . 0 0 "[ . 1 . 2 .]" 1
208 2 6 LEU H 2 7 ILE H 2.800 . 2.800 2.440 2.307 2.630 . 0 0 "[ . 1 . 2 .]" 1
209 1 6 LEU HA 1 7 ILE H 5.000 . 5.000 3.593 3.556 3.629 . 0 0 "[ . 1 . 2 .]" 1
210 2 6 LEU HA 2 7 ILE H 5.000 . 5.000 3.596 3.552 3.622 . 0 0 "[ . 1 . 2 .]" 1
211 1 6 LEU HG 1 7 ILE H 5.500 . 5.500 4.899 4.545 5.037 . 0 0 "[ . 1 . 2 .]" 1
212 2 6 LEU HG 2 7 ILE H 5.500 . 5.500 4.906 4.530 5.045 . 0 0 "[ . 1 . 2 .]" 1
213 1 6 LEU HB2 1 7 ILE H 4.000 . 4.000 3.202 2.852 3.314 . 0 0 "[ . 1 . 2 .]" 1
214 2 6 LEU HB2 2 7 ILE H 4.000 . 4.000 3.205 2.922 3.399 . 0 0 "[ . 1 . 2 .]" 1
215 1 6 LEU HB3 1 7 ILE HA 5.000 . 5.000 3.958 3.870 4.033 . 0 0 "[ . 1 . 2 .]" 1
216 2 6 LEU HB3 2 7 ILE HA 5.000 . 5.000 3.962 3.884 4.052 . 0 0 "[ . 1 . 2 .]" 1
217 1 6 LEU HB3 1 7 ILE MD 5.000 . 5.300 4.537 4.482 4.702 . 0 0 "[ . 1 . 2 .]" 1
218 2 6 LEU HB3 2 7 ILE MD 5.000 . 5.300 4.540 4.489 4.675 . 0 0 "[ . 1 . 2 .]" 1
219 1 6 LEU H 1 8 ASN H 5.000 . 5.000 4.118 3.950 4.224 . 0 0 "[ . 1 . 2 .]" 1
220 2 6 LEU H 2 8 ASN H 5.000 . 5.000 4.138 3.927 4.251 . 0 0 "[ . 1 . 2 .]" 1
221 1 6 LEU HA 1 8 ASN H 5.000 . 5.000 4.743 4.591 4.859 . 0 0 "[ . 1 . 2 .]" 1
222 2 6 LEU HA 2 8 ASN H 5.000 . 5.000 4.738 4.525 4.876 . 0 0 "[ . 1 . 2 .]" 1
223 1 6 LEU H 1 9 ALA H 5.000 . 5.000 4.757 4.638 4.896 . 0 0 "[ . 1 . 2 .]" 1
224 2 6 LEU H 2 9 ALA H 5.000 . 5.000 4.731 4.630 4.935 . 0 0 "[ . 1 . 2 .]" 1
225 1 6 LEU HA 1 9 ALA H 3.600 . 3.600 3.526 3.229 3.646 0.046 16 0 "[ . 1 . 2 .]" 1
226 2 6 LEU HA 2 9 ALA H 3.600 . 3.600 3.471 3.147 3.658 0.058 9 0 "[ . 1 . 2 .]" 1
227 1 6 LEU HA 1 9 ALA MB 4.000 . 4.300 2.657 2.221 2.900 . 0 0 "[ . 1 . 2 .]" 1
228 2 6 LEU HA 2 9 ALA MB 4.000 . 4.300 2.569 2.117 2.892 . 0 0 "[ . 1 . 2 .]" 1
229 1 6 LEU HG 1 9 ALA MB 5.000 . 5.300 4.399 4.136 4.526 . 0 0 "[ . 1 . 2 .]" 1
230 2 6 LEU HG 2 9 ALA MB 5.000 . 5.300 4.436 4.228 4.552 . 0 0 "[ . 1 . 2 .]" 1
231 1 6 LEU QD 1 9 ALA MB 5.000 . 7.700 2.937 2.144 4.182 . 0 0 "[ . 1 . 2 .]" 1
232 2 6 LEU QD 2 9 ALA MB 5.000 . 7.700 2.826 1.980 4.140 . 0 0 "[ . 1 . 2 .]" 1
233 1 6 LEU HA 1 10 VAL H 5.000 . 5.000 4.537 4.344 4.643 . 0 0 "[ . 1 . 2 .]" 1
234 2 6 LEU HA 2 10 VAL H 5.000 . 5.000 4.488 4.158 4.652 . 0 0 "[ . 1 . 2 .]" 1
235 1 6 LEU HA 1 10 VAL MG2 5.000 . 5.300 3.905 3.794 4.085 . 0 0 "[ . 1 . 2 .]" 1
236 2 6 LEU HA 2 10 VAL MG2 5.000 . 5.300 3.908 3.741 4.078 . 0 0 "[ . 1 . 2 .]" 1
237 1 6 LEU HB3 1 10 VAL MG2 5.000 . 5.300 3.999 3.830 4.130 . 0 0 "[ . 1 . 2 .]" 1
238 2 6 LEU HB3 2 10 VAL MG2 5.000 . 5.300 3.988 3.660 4.155 . 0 0 "[ . 1 . 2 .]" 1
239 1 6 LEU QD 1 10 VAL H 5.000 . 7.400 4.299 3.823 5.621 . 0 0 "[ . 1 . 2 .]" 1
240 2 6 LEU QD 2 10 VAL H 5.000 . 7.400 4.230 3.393 5.661 . 0 0 "[ . 1 . 2 .]" 1
241 1 6 LEU HB2 1 25 VAL MG2 5.000 . 5.300 3.787 3.713 3.859 . 0 0 "[ . 1 . 2 .]" 1
242 2 6 LEU HB2 2 25 VAL MG2 5.000 . 5.300 3.804 3.714 3.880 . 0 0 "[ . 1 . 2 .]" 1
243 1 6 LEU HB3 1 25 VAL MG2 2.800 . 3.100 2.366 2.291 2.461 . 0 0 "[ . 1 . 2 .]" 1
244 2 6 LEU HB3 2 25 VAL MG2 2.800 . 3.100 2.383 2.302 2.489 . 0 0 "[ . 1 . 2 .]" 1
245 1 6 LEU HB3 1 25 VAL MG1 5.000 . 5.300 3.285 2.941 3.526 . 0 0 "[ . 1 . 2 .]" 1
246 2 6 LEU HB3 2 25 VAL MG1 5.000 . 5.300 3.310 2.906 3.518 . 0 0 "[ . 1 . 2 .]" 1
247 1 6 LEU QD 1 25 VAL MG2 5.500 . 8.200 2.127 1.742 3.149 0.058 17 0 "[ . 1 . 2 .]" 1
248 2 6 LEU QD 2 25 VAL MG2 5.500 . 8.200 2.267 1.754 3.205 0.046 20 0 "[ . 1 . 2 .]" 1
249 1 6 LEU QD 1 25 VAL MG1 5.500 . 8.200 2.482 1.980 4.030 . 0 0 "[ . 1 . 2 .]" 1
250 2 6 LEU QD 2 25 VAL MG1 5.500 . 8.200 2.777 2.009 4.066 . 0 0 "[ . 1 . 2 .]" 1
251 1 6 LEU HG 1 29 PHE QE 5.000 . 7.000 4.396 3.820 4.740 . 0 0 "[ . 1 . 2 .]" 1
252 2 6 LEU HG 2 29 PHE QE 5.000 . 7.000 4.298 3.699 4.899 . 0 0 "[ . 1 . 2 .]" 1
253 1 6 LEU HG 1 29 PHE HZ 5.500 . 5.500 5.615 5.526 5.704 0.204 17 0 "[ . 1 . 2 .]" 1
254 2 6 LEU HG 2 29 PHE HZ 5.500 . 5.500 5.587 5.321 5.727 0.227 12 0 "[ . 1 . 2 .]" 1
255 1 6 LEU QD 1 29 PHE HZ 5.000 . 7.400 3.804 3.320 4.710 . 0 0 "[ . 1 . 2 .]" 1
256 2 6 LEU QD 2 29 PHE HZ 5.000 . 7.400 3.929 3.287 4.708 . 0 0 "[ . 1 . 2 .]" 1
257 1 6 LEU HA 2 28 VAL HA 5.000 . 5.000 4.582 4.211 4.951 . 0 0 "[ . 1 . 2 .]" 1
258 1 28 VAL HA 2 6 LEU HA 5.000 . 5.000 4.582 4.267 4.936 . 0 0 "[ . 1 . 2 .]" 1
259 1 6 LEU QD 2 28 VAL HA 4.000 . 6.400 2.606 2.053 4.098 . 0 0 "[ . 1 . 2 .]" 1
260 1 28 VAL HA 2 6 LEU QD 4.000 . 6.400 2.462 1.979 4.201 . 0 0 "[ . 1 . 2 .]" 1
261 1 6 LEU QD 2 28 VAL MG2 5.000 . 7.700 2.488 1.977 4.322 . 0 0 "[ . 1 . 2 .]" 1
262 1 28 VAL MG2 2 6 LEU QD 5.000 . 7.700 2.402 1.940 3.433 . 0 0 "[ . 1 . 2 .]" 1
263 1 6 LEU QD 2 28 VAL MG1 4.000 . 6.700 2.096 1.841 2.734 . 0 0 "[ . 1 . 2 .]" 1
264 1 28 VAL MG1 2 6 LEU QD 4.000 . 6.700 2.076 1.891 2.762 . 0 0 "[ . 1 . 2 .]" 1
265 1 6 LEU HG 2 44 LEU QD 3.500 . 5.900 3.268 2.201 4.247 . 0 0 "[ . 1 . 2 .]" 1
266 1 44 LEU QD 2 6 LEU HG 3.500 . 5.900 3.161 2.189 4.297 . 0 0 "[ . 1 . 2 .]" 1
267 1 6 LEU QD 2 44 LEU QD 3.500 . 8.300 2.000 1.763 2.352 0.037 13 0 "[ . 1 . 2 .]" 1
268 1 44 LEU QD 2 6 LEU QD 3.500 . 8.300 2.065 1.715 2.657 0.085 9 0 "[ . 1 . 2 .]" 1
269 1 7 ILE H 1 7 ILE QG 4.000 . 5.000 1.996 1.836 2.164 . 0 0 "[ . 1 . 2 .]" 1
270 2 7 ILE H 2 7 ILE QG 4.000 . 5.000 2.031 1.850 2.203 . 0 0 "[ . 1 . 2 .]" 1
271 1 7 ILE HA 1 7 ILE MG 2.800 . 3.100 2.501 2.406 2.548 . 0 0 "[ . 1 . 2 .]" 1
272 2 7 ILE HA 2 7 ILE MG 2.800 . 3.100 2.504 2.417 2.547 . 0 0 "[ . 1 . 2 .]" 1
273 1 7 ILE H 1 8 ASN H 2.800 . 2.800 2.800 2.695 2.822 0.022 20 0 "[ . 1 . 2 .]" 1
274 2 7 ILE H 2 8 ASN H 2.800 . 2.800 2.791 2.708 2.819 0.019 4 0 "[ . 1 . 2 .]" 1
275 1 7 ILE HA 1 8 ASN H 5.000 . 5.000 3.557 3.536 3.574 . 0 0 "[ . 1 . 2 .]" 1
276 2 7 ILE HA 2 8 ASN H 5.000 . 5.000 3.556 3.531 3.567 . 0 0 "[ . 1 . 2 .]" 1
277 1 7 ILE HB 1 8 ASN H 3.500 . 3.500 2.486 2.395 2.576 . 0 0 "[ . 1 . 2 .]" 1
278 2 7 ILE HB 2 8 ASN H 3.500 . 3.500 2.494 2.406 2.568 . 0 0 "[ . 1 . 2 .]" 1
279 1 7 ILE MD 1 8 ASN H 5.000 . 5.300 4.364 4.330 4.407 . 0 0 "[ . 1 . 2 .]" 1
280 2 7 ILE MD 2 8 ASN H 5.000 . 5.300 4.370 4.339 4.429 . 0 0 "[ . 1 . 2 .]" 1
281 1 7 ILE MG 1 8 ASN H 4.000 . 4.300 3.515 3.420 3.557 . 0 0 "[ . 1 . 2 .]" 1
282 2 7 ILE MG 2 8 ASN H 4.000 . 4.300 3.499 3.420 3.564 . 0 0 "[ . 1 . 2 .]" 1
283 1 7 ILE MG 1 8 ASN HA 5.000 . 5.300 3.788 3.708 3.906 . 0 0 "[ . 1 . 2 .]" 1
284 2 7 ILE MG 2 8 ASN HA 5.000 . 5.300 3.793 3.710 3.953 . 0 0 "[ . 1 . 2 .]" 1
285 1 7 ILE QG 1 8 ASN H 5.000 . 6.000 3.959 3.728 4.085 . 0 0 "[ . 1 . 2 .]" 1
286 2 7 ILE QG 2 8 ASN H 5.000 . 6.000 3.980 3.757 4.105 . 0 0 "[ . 1 . 2 .]" 1
287 1 7 ILE H 1 8 ASN HA 5.500 . 5.500 5.514 5.442 5.525 0.025 12 0 "[ . 1 . 2 .]" 1
288 2 7 ILE H 2 8 ASN HA 5.500 . 5.500 5.510 5.466 5.526 0.026 6 0 "[ . 1 . 2 .]" 1
289 1 7 ILE H 1 9 ALA H 5.000 . 5.000 3.998 3.755 4.122 . 0 0 "[ . 1 . 2 .]" 1
290 2 7 ILE H 2 9 ALA H 5.000 . 5.000 3.956 3.808 4.096 . 0 0 "[ . 1 . 2 .]" 1
291 1 7 ILE HB 1 9 ALA H 5.000 . 5.000 4.900 4.803 4.972 . 0 0 "[ . 1 . 2 .]" 1
292 2 7 ILE HB 2 9 ALA H 5.000 . 5.000 4.885 4.796 4.948 . 0 0 "[ . 1 . 2 .]" 1
293 1 7 ILE HA 1 10 VAL H 3.600 . 3.600 3.605 3.495 3.646 0.046 19 0 "[ . 1 . 2 .]" 1
294 2 7 ILE HA 2 10 VAL H 3.600 . 3.600 3.595 3.452 3.638 0.038 9 0 "[ . 1 . 2 .]" 1
295 1 7 ILE HA 1 10 VAL MG2 3.500 . 3.800 2.467 2.336 2.571 . 0 0 "[ . 1 . 2 .]" 1
296 2 7 ILE HA 2 10 VAL MG2 3.500 . 3.800 2.480 2.324 2.616 . 0 0 "[ . 1 . 2 .]" 1
297 1 7 ILE HA 1 10 VAL HB 5.000 . 5.000 3.706 3.590 3.941 . 0 0 "[ . 1 . 2 .]" 1
298 2 7 ILE HA 2 10 VAL HB 5.000 . 5.000 3.715 3.545 4.080 . 0 0 "[ . 1 . 2 .]" 1
299 1 7 ILE HA 1 11 ALA H 4.000 . 4.000 4.012 3.927 4.037 0.037 8 0 "[ . 1 . 2 .]" 1
300 2 7 ILE HA 2 11 ALA H 4.000 . 4.000 4.009 3.889 4.034 0.034 10 0 "[ . 1 . 2 .]" 1
301 1 7 ILE MG 1 11 ALA MB 5.000 . 5.600 3.272 3.172 3.333 . 0 0 "[ . 1 . 2 .]" 1
302 2 7 ILE MG 2 11 ALA MB 5.000 . 5.600 3.275 3.180 3.371 . 0 0 "[ . 1 . 2 .]" 1
303 1 7 ILE HB 1 18 LYS HA 5.000 . 5.000 4.975 4.539 5.042 0.042 4 0 "[ . 1 . 2 .]" 1
304 2 7 ILE HB 2 18 LYS HA 5.000 . 5.000 4.996 4.805 5.048 0.048 15 0 "[ . 1 . 2 .]" 1
305 1 7 ILE MG 1 18 LYS QG 5.000 . 6.300 3.290 1.950 4.226 . 0 0 "[ . 1 . 2 .]" 1
306 2 7 ILE MG 2 18 LYS QG 5.000 . 6.300 2.642 1.951 3.927 . 0 0 "[ . 1 . 2 .]" 1
307 1 7 ILE MG 1 18 LYS HA 2.800 . 3.100 2.333 2.092 2.403 . 0 0 "[ . 1 . 2 .]" 1
308 2 7 ILE MG 2 18 LYS HA 2.800 . 3.100 2.352 2.246 2.430 . 0 0 "[ . 1 . 2 .]" 1
309 1 7 ILE MG 1 18 LYS QB 5.000 . 6.300 2.812 2.553 3.546 . 0 0 "[ . 1 . 2 .]" 1
310 2 7 ILE MG 2 18 LYS QB 5.000 . 6.300 3.161 2.590 3.711 . 0 0 "[ . 1 . 2 .]" 1
311 1 7 ILE MG 1 19 LYS H 5.000 . 5.300 4.542 4.470 4.563 . 0 0 "[ . 1 . 2 .]" 1
312 2 7 ILE MG 2 19 LYS H 5.000 . 5.300 4.547 4.499 4.578 . 0 0 "[ . 1 . 2 .]" 1
313 1 7 ILE MG 1 21 ALA MB 2.800 . 3.400 2.008 1.990 2.066 . 0 0 "[ . 1 . 2 .]" 1
314 2 7 ILE MG 2 21 ALA MB 2.800 . 3.400 2.006 1.968 2.030 . 0 0 "[ . 1 . 2 .]" 1
315 1 7 ILE HA 1 21 ALA MB 4.000 . 4.300 2.165 2.113 2.377 . 0 0 "[ . 1 . 2 .]" 1
316 2 7 ILE HA 2 21 ALA MB 4.000 . 4.300 2.176 2.121 2.335 . 0 0 "[ . 1 . 2 .]" 1
317 1 7 ILE QG 1 21 ALA MB 5.500 . 6.800 3.532 3.315 3.774 . 0 0 "[ . 1 . 2 .]" 1
318 2 7 ILE QG 2 21 ALA MB 5.500 . 6.800 3.508 3.355 3.728 . 0 0 "[ . 1 . 2 .]" 1
319 1 7 ILE QG 1 22 THR MG 5.000 . 6.300 2.988 2.743 3.456 . 0 0 "[ . 1 . 2 .]" 1
320 2 7 ILE QG 2 22 THR MG 5.000 . 6.300 3.018 2.745 3.453 . 0 0 "[ . 1 . 2 .]" 1
321 1 7 ILE MD 1 22 THR H 5.000 . 5.300 3.924 3.667 4.022 . 0 0 "[ . 1 . 2 .]" 1
322 2 7 ILE MD 2 22 THR H 5.000 . 5.300 3.908 3.685 4.047 . 0 0 "[ . 1 . 2 .]" 1
323 1 7 ILE MD 1 22 THR HA 4.000 . 4.300 3.036 2.444 3.539 . 0 0 "[ . 1 . 2 .]" 1
324 2 7 ILE MD 2 22 THR HA 4.000 . 4.300 2.949 2.470 3.529 . 0 0 "[ . 1 . 2 .]" 1
325 1 7 ILE MD 1 22 THR MG 2.800 . 3.400 2.046 1.982 2.158 . 0 0 "[ . 1 . 2 .]" 1
326 2 7 ILE MD 2 22 THR MG 2.800 . 3.400 2.032 1.989 2.152 . 0 0 "[ . 1 . 2 .]" 1
327 1 7 ILE MG 1 22 THR MG 5.000 . 5.600 3.555 3.087 3.707 . 0 0 "[ . 1 . 2 .]" 1
328 2 7 ILE MG 2 22 THR MG 5.000 . 5.600 3.561 3.046 3.703 . 0 0 "[ . 1 . 2 .]" 1
329 1 7 ILE MG 1 22 THR HA 4.000 . 4.300 3.346 3.242 3.381 . 0 0 "[ . 1 . 2 .]" 1
330 2 7 ILE MG 2 22 THR HA 4.000 . 4.300 3.310 3.206 3.401 . 0 0 "[ . 1 . 2 .]" 1
331 1 7 ILE MG 1 22 THR H 5.000 . 5.300 2.318 2.211 2.418 . 0 0 "[ . 1 . 2 .]" 1
332 2 7 ILE MG 2 22 THR H 5.000 . 5.300 2.301 2.174 2.470 . 0 0 "[ . 1 . 2 .]" 1
333 1 7 ILE QG 1 22 THR H 3.500 . 4.500 3.388 3.171 3.641 . 0 0 "[ . 1 . 2 .]" 1
334 2 7 ILE QG 2 22 THR H 3.500 . 4.500 3.389 3.158 3.639 . 0 0 "[ . 1 . 2 .]" 1
335 1 7 ILE QG 1 22 THR HA 4.000 . 5.000 2.061 1.977 2.335 . 0 0 "[ . 1 . 2 .]" 1
336 2 7 ILE QG 2 22 THR HA 4.000 . 5.000 2.047 1.969 2.337 . 0 0 "[ . 1 . 2 .]" 1
337 1 7 ILE HA 1 25 VAL HB 5.000 . 5.000 5.025 4.940 5.078 0.078 19 0 "[ . 1 . 2 .]" 1
338 2 7 ILE HA 2 25 VAL HB 5.000 . 5.000 5.006 4.822 5.052 0.052 16 0 "[ . 1 . 2 .]" 1
339 1 7 ILE QG 1 25 VAL MG2 5.000 . 6.300 3.088 2.814 3.308 . 0 0 "[ . 1 . 2 .]" 1
340 2 7 ILE QG 2 25 VAL MG2 5.000 . 6.300 3.038 2.766 3.328 . 0 0 "[ . 1 . 2 .]" 1
341 1 7 ILE HA 1 25 VAL MG2 4.000 . 4.300 3.337 3.155 3.452 . 0 0 "[ . 1 . 2 .]" 1
342 2 7 ILE HA 2 25 VAL MG2 4.000 . 4.300 3.320 3.157 3.448 . 0 0 "[ . 1 . 2 .]" 1
343 1 7 ILE H 1 25 VAL MG2 5.000 . 5.300 3.843 3.699 4.065 . 0 0 "[ . 1 . 2 .]" 1
344 2 7 ILE H 2 25 VAL MG2 5.000 . 5.300 3.859 3.679 4.038 . 0 0 "[ . 1 . 2 .]" 1
345 1 7 ILE QG 1 25 VAL H 5.000 . 6.000 4.909 4.555 5.143 . 0 0 "[ . 1 . 2 .]" 1
346 2 7 ILE QG 2 25 VAL H 5.000 . 6.000 4.847 4.454 5.103 . 0 0 "[ . 1 . 2 .]" 1
347 1 8 ASN H 1 8 ASN HD21 5.000 . 5.000 2.713 2.523 2.917 . 0 0 "[ . 1 . 2 .]" 1
348 2 8 ASN H 2 8 ASN HD21 5.000 . 5.000 2.775 2.449 3.018 . 0 0 "[ . 1 . 2 .]" 1
349 1 8 ASN H 1 8 ASN HD22 5.000 . 5.000 3.890 3.791 3.958 . 0 0 "[ . 1 . 2 .]" 1
350 2 8 ASN H 2 8 ASN HD22 5.000 . 5.000 3.920 3.824 3.977 . 0 0 "[ . 1 . 2 .]" 1
351 1 8 ASN HA 1 9 ALA H 3.500 . 3.500 3.434 3.371 3.473 . 0 0 "[ . 1 . 2 .]" 1
352 2 8 ASN HA 2 9 ALA H 3.500 . 3.500 3.430 3.371 3.488 . 0 0 "[ . 1 . 2 .]" 1
353 1 8 ASN H 1 9 ALA H 2.800 . 2.800 2.810 2.792 2.826 0.026 5 0 "[ . 1 . 2 .]" 1
354 2 8 ASN H 2 9 ALA H 2.800 . 2.800 2.808 2.789 2.819 0.019 19 0 "[ . 1 . 2 .]" 1
355 1 8 ASN QB 1 9 ALA MB 5.000 . 6.300 4.433 4.354 4.527 . 0 0 "[ . 1 . 2 .]" 1
356 2 8 ASN QB 2 9 ALA MB 5.000 . 6.300 4.460 4.379 4.533 . 0 0 "[ . 1 . 2 .]" 1
357 1 8 ASN HD21 1 9 ALA H 5.000 . 5.000 4.870 4.688 5.004 0.004 7 0 "[ . 1 . 2 .]" 1
358 2 8 ASN HD21 2 9 ALA H 5.000 . 5.000 4.936 4.729 5.007 0.007 8 0 "[ . 1 . 2 .]" 1
359 1 8 ASN QB 1 9 ALA H 2.800 . 3.800 3.245 3.146 3.382 . 0 0 "[ . 1 . 2 .]" 1
360 2 8 ASN QB 2 9 ALA H 2.800 . 3.800 3.281 3.158 3.380 . 0 0 "[ . 1 . 2 .]" 1
361 1 8 ASN H 1 10 VAL H 5.000 . 5.000 4.478 4.427 4.589 . 0 0 "[ . 1 . 2 .]" 1
362 2 8 ASN H 2 10 VAL H 5.000 . 5.000 4.495 4.406 4.604 . 0 0 "[ . 1 . 2 .]" 1
363 1 8 ASN HA 1 11 ALA H 3.600 . 3.600 3.727 3.700 3.764 0.164 10 0 "[ . 1 . 2 .]" 1
364 2 8 ASN HA 2 11 ALA H 3.600 . 3.600 3.720 3.694 3.774 0.174 2 0 "[ . 1 . 2 .]" 1
365 1 8 ASN HA 1 11 ALA MB 4.000 . 4.300 2.791 2.668 2.913 . 0 0 "[ . 1 . 2 .]" 1
366 2 8 ASN HA 2 11 ALA MB 4.000 . 4.300 2.756 2.581 2.862 . 0 0 "[ . 1 . 2 .]" 1
367 1 8 ASN HA 1 12 GLU H 5.000 . 5.000 3.816 3.657 3.955 . 0 0 "[ . 1 . 2 .]" 1
368 2 8 ASN HA 2 12 GLU H 5.000 . 5.000 3.789 3.672 3.939 . 0 0 "[ . 1 . 2 .]" 1
369 1 8 ASN H 1 18 LYS QE 5.000 . 6.000 4.571 3.328 5.157 . 0 0 "[ . 1 . 2 .]" 1
370 2 8 ASN H 2 18 LYS QE 5.000 . 6.000 4.432 3.305 5.148 . 0 0 "[ . 1 . 2 .]" 1
371 1 9 ALA H 1 9 ALA MB 2.800 . 3.100 2.379 2.343 2.419 . 0 0 "[ . 1 . 2 .]" 1
372 2 9 ALA H 2 9 ALA MB 2.800 . 3.100 2.382 2.346 2.418 . 0 0 "[ . 1 . 2 .]" 1
373 1 9 ALA H 1 10 VAL H 2.800 . 2.800 2.441 2.383 2.501 . 0 0 "[ . 1 . 2 .]" 1
374 2 9 ALA H 2 10 VAL H 2.800 . 2.800 2.429 2.362 2.493 . 0 0 "[ . 1 . 2 .]" 1
375 1 9 ALA HA 1 10 VAL H 5.000 . 5.000 3.589 3.548 3.636 . 0 0 "[ . 1 . 2 .]" 1
376 2 9 ALA HA 2 10 VAL H 5.000 . 5.000 3.589 3.545 3.638 . 0 0 "[ . 1 . 2 .]" 1
377 1 9 ALA MB 1 10 VAL H 2.800 . 3.100 2.369 2.329 2.402 . 0 0 "[ . 1 . 2 .]" 1
378 2 9 ALA MB 2 10 VAL H 2.800 . 3.100 2.362 2.332 2.413 . 0 0 "[ . 1 . 2 .]" 1
379 1 9 ALA MB 1 10 VAL MG2 3.500 . 4.100 2.508 2.444 2.551 . 0 0 "[ . 1 . 2 .]" 1
380 2 9 ALA MB 2 10 VAL MG2 3.500 . 4.100 2.507 2.439 2.553 . 0 0 "[ . 1 . 2 .]" 1
381 1 9 ALA H 1 10 VAL MG2 4.000 . 4.300 3.415 3.393 3.430 . 0 0 "[ . 1 . 2 .]" 1
382 2 9 ALA H 2 10 VAL MG2 4.000 . 4.300 3.416 3.405 3.443 . 0 0 "[ . 1 . 2 .]" 1
383 1 9 ALA MB 1 11 ALA H 5.500 . 5.800 4.474 4.442 4.495 . 0 0 "[ . 1 . 2 .]" 1
384 2 9 ALA MB 2 11 ALA H 5.500 . 5.800 4.469 4.416 4.500 . 0 0 "[ . 1 . 2 .]" 1
385 1 9 ALA H 1 11 ALA H 5.000 . 5.000 4.094 3.938 4.190 . 0 0 "[ . 1 . 2 .]" 1
386 2 9 ALA H 2 11 ALA H 5.000 . 5.000 4.068 3.920 4.204 . 0 0 "[ . 1 . 2 .]" 1
387 1 9 ALA H 1 12 GLU QB 5.000 . 6.000 4.824 4.775 4.889 . 0 0 "[ . 1 . 2 .]" 1
388 2 9 ALA H 2 12 GLU QB 5.000 . 6.000 4.840 4.772 4.910 . 0 0 "[ . 1 . 2 .]" 1
389 1 9 ALA H 1 12 GLU H 5.000 . 5.000 4.550 4.409 4.631 . 0 0 "[ . 1 . 2 .]" 1
390 2 9 ALA H 2 12 GLU H 5.000 . 5.000 4.534 4.427 4.651 . 0 0 "[ . 1 . 2 .]" 1
391 1 9 ALA HA 1 12 GLU H 3.600 . 3.600 3.729 3.704 3.769 0.169 10 0 "[ . 1 . 2 .]" 1
392 2 9 ALA HA 2 12 GLU H 3.600 . 3.600 3.736 3.710 3.772 0.172 17 0 "[ . 1 . 2 .]" 1
393 1 9 ALA HA 1 12 GLU QG 5.000 . 6.000 4.728 4.408 5.076 . 0 0 "[ . 1 . 2 .]" 1
394 2 9 ALA HA 2 12 GLU QG 5.000 . 6.000 4.683 4.414 4.995 . 0 0 "[ . 1 . 2 .]" 1
395 1 9 ALA HA 1 12 GLU QB 4.000 . 5.000 2.955 2.867 3.071 . 0 0 "[ . 1 . 2 .]" 1
396 2 9 ALA HA 2 12 GLU QB 4.000 . 5.000 2.996 2.891 3.179 . 0 0 "[ . 1 . 2 .]" 1
397 1 9 ALA MB 1 12 GLU QB 5.000 . 6.300 4.424 4.352 4.546 . 0 0 "[ . 1 . 2 .]" 1
398 2 9 ALA MB 2 12 GLU QB 5.000 . 6.300 4.464 4.346 4.641 . 0 0 "[ . 1 . 2 .]" 1
399 1 9 ALA HA 1 13 THR H 5.000 . 5.000 3.876 3.829 3.925 . 0 0 "[ . 1 . 2 .]" 1
400 2 9 ALA HA 2 13 THR H 5.000 . 5.000 3.864 3.766 3.920 . 0 0 "[ . 1 . 2 .]" 1
401 1 9 ALA MB 1 13 THR H 5.000 . 5.300 4.481 4.448 4.527 . 0 0 "[ . 1 . 2 .]" 1
402 2 9 ALA MB 2 13 THR H 5.000 . 5.300 4.485 4.435 4.520 . 0 0 "[ . 1 . 2 .]" 1
403 1 9 ALA MB 1 13 THR MG 5.000 . 5.600 3.493 3.371 3.594 . 0 0 "[ . 1 . 2 .]" 1
404 2 9 ALA MB 2 13 THR MG 5.000 . 5.600 3.517 3.391 3.574 . 0 0 "[ . 1 . 2 .]" 1
405 1 9 ALA HA 1 13 THR MG 5.000 . 5.300 3.937 3.590 4.251 . 0 0 "[ . 1 . 2 .]" 1
406 2 9 ALA HA 2 13 THR MG 5.000 . 5.300 4.082 3.596 4.268 . 0 0 "[ . 1 . 2 .]" 1
407 1 9 ALA MB 2 31 SER H 5.000 . 5.300 4.235 4.029 4.378 . 0 0 "[ . 1 . 2 .]" 1
408 1 31 SER H 2 9 ALA MB 5.000 . 5.300 4.225 3.715 4.341 . 0 0 "[ . 1 . 2 .]" 1
409 1 9 ALA MB 2 31 SER HB2 5.000 . 5.300 2.828 2.421 3.119 . 0 0 "[ . 1 . 2 .]" 1
410 1 31 SER HB3 2 9 ALA MB 5.000 . 5.300 3.373 3.035 3.584 . 0 0 "[ . 1 . 2 .]" 1
411 1 10 VAL HA 1 10 VAL MG2 2.800 . 3.100 2.627 2.575 2.680 . 0 0 "[ . 1 . 2 .]" 1
412 2 10 VAL HA 2 10 VAL MG2 2.800 . 3.100 2.617 2.570 2.699 . 0 0 "[ . 1 . 2 .]" 1
413 1 10 VAL HA 1 10 VAL MG1 3.500 . 3.800 2.280 2.177 2.407 . 0 0 "[ . 1 . 2 .]" 1
414 2 10 VAL HA 2 10 VAL MG1 3.500 . 3.800 2.299 2.171 2.388 . 0 0 "[ . 1 . 2 .]" 1
415 1 10 VAL H 1 10 VAL MG2 2.800 . 3.100 1.853 1.790 1.914 0.010 16 0 "[ . 1 . 2 .]" 1
416 2 10 VAL H 2 10 VAL MG2 2.800 . 3.100 1.859 1.790 1.938 0.010 9 0 "[ . 1 . 2 .]" 1
417 1 10 VAL H 1 10 VAL MG1 4.000 . 4.300 3.750 3.693 3.785 . 0 0 "[ . 1 . 2 .]" 1
418 2 10 VAL H 2 10 VAL MG1 4.000 . 4.300 3.757 3.701 3.779 . 0 0 "[ . 1 . 2 .]" 1
419 1 10 VAL H 1 11 ALA H 2.800 . 2.800 2.462 2.395 2.530 . 0 0 "[ . 1 . 2 .]" 1
420 2 10 VAL H 2 11 ALA H 2.800 . 2.800 2.461 2.397 2.527 . 0 0 "[ . 1 . 2 .]" 1
421 1 10 VAL H 1 11 ALA HA 5.000 . 5.000 5.075 5.050 5.136 0.136 2 0 "[ . 1 . 2 .]" 1
422 2 10 VAL H 2 11 ALA HA 5.000 . 5.000 5.070 5.047 5.123 0.123 12 0 "[ . 1 . 2 .]" 1
423 1 10 VAL H 1 11 ALA MB 5.000 . 5.300 4.200 4.048 4.267 . 0 0 "[ . 1 . 2 .]" 1
424 2 10 VAL H 2 11 ALA MB 5.000 . 5.300 4.190 4.053 4.267 . 0 0 "[ . 1 . 2 .]" 1
425 1 10 VAL HA 1 11 ALA H 5.000 . 5.000 3.376 3.322 3.420 . 0 0 "[ . 1 . 2 .]" 1
426 2 10 VAL HA 2 11 ALA H 5.000 . 5.000 3.382 3.325 3.409 . 0 0 "[ . 1 . 2 .]" 1
427 1 10 VAL HA 1 11 ALA MB 5.500 . 5.800 4.948 4.933 4.963 . 0 0 "[ . 1 . 2 .]" 1
428 2 10 VAL HA 2 11 ALA MB 5.500 . 5.800 4.952 4.929 4.963 . 0 0 "[ . 1 . 2 .]" 1
429 1 10 VAL HB 1 11 ALA H 5.000 . 5.000 2.385 2.277 2.471 . 0 0 "[ . 1 . 2 .]" 1
430 2 10 VAL HB 2 11 ALA H 5.000 . 5.000 2.368 2.304 2.516 . 0 0 "[ . 1 . 2 .]" 1
431 1 10 VAL MG2 1 11 ALA H 3.500 . 3.800 3.060 2.980 3.098 . 0 0 "[ . 1 . 2 .]" 1
432 2 10 VAL MG2 2 11 ALA H 3.500 . 3.800 3.066 2.980 3.110 . 0 0 "[ . 1 . 2 .]" 1
433 1 10 VAL MG2 1 11 ALA HA 5.500 . 5.800 5.078 5.032 5.115 . 0 0 "[ . 1 . 2 .]" 1
434 2 10 VAL MG2 2 11 ALA HA 5.500 . 5.800 5.075 5.009 5.098 . 0 0 "[ . 1 . 2 .]" 1
435 1 10 VAL MG1 1 11 ALA H 4.000 . 4.300 3.744 3.677 3.796 . 0 0 "[ . 1 . 2 .]" 1
436 2 10 VAL MG1 2 11 ALA H 4.000 . 4.300 3.734 3.699 3.822 . 0 0 "[ . 1 . 2 .]" 1
437 1 10 VAL H 1 12 GLU H 5.000 . 5.000 3.760 3.709 3.850 . 0 0 "[ . 1 . 2 .]" 1
438 2 10 VAL H 2 12 GLU H 5.000 . 5.000 3.768 3.708 3.880 . 0 0 "[ . 1 . 2 .]" 1
439 1 10 VAL HA 1 12 GLU H 5.000 . 5.000 4.097 4.033 4.174 . 0 0 "[ . 1 . 2 .]" 1
440 2 10 VAL HA 2 12 GLU H 5.000 . 5.000 4.108 4.061 4.156 . 0 0 "[ . 1 . 2 .]" 1
441 1 10 VAL H 1 13 THR H 5.000 . 5.000 4.710 4.653 4.771 . 0 0 "[ . 1 . 2 .]" 1
442 2 10 VAL H 2 13 THR H 5.000 . 5.000 4.701 4.655 4.763 . 0 0 "[ . 1 . 2 .]" 1
443 1 10 VAL HA 1 13 THR H 3.600 . 3.600 3.643 3.613 3.667 0.067 11 0 "[ . 1 . 2 .]" 1
444 2 10 VAL HA 2 13 THR H 3.600 . 3.600 3.644 3.606 3.661 0.061 11 0 "[ . 1 . 2 .]" 1
445 1 10 VAL HA 1 13 THR MG 5.000 . 5.300 3.411 2.732 4.013 . 0 0 "[ . 1 . 2 .]" 1
446 2 10 VAL HA 2 13 THR MG 5.000 . 5.300 3.164 2.607 4.001 . 0 0 "[ . 1 . 2 .]" 1
447 1 10 VAL HA 1 13 THR HB 5.000 . 5.000 5.020 4.811 5.085 0.085 10 0 "[ . 1 . 2 .]" 1
448 2 10 VAL HA 2 13 THR HB 5.000 . 5.000 5.027 4.691 5.099 0.099 21 0 "[ . 1 . 2 .]" 1
449 1 10 VAL HA 1 14 SER H 5.000 . 5.000 4.324 4.130 4.477 . 0 0 "[ . 1 . 2 .]" 1
450 2 10 VAL HA 2 14 SER H 5.000 . 5.000 4.281 4.108 4.415 . 0 0 "[ . 1 . 2 .]" 1
451 1 10 VAL MG1 1 16 LEU MD2 3.500 . 4.100 2.100 1.905 3.796 . 0 0 "[ . 1 . 2 .]" 1
452 2 10 VAL MG1 2 16 LEU QD 3.500 . 4.100 1.991 1.911 2.081 . 0 0 "[ . 1 . 2 .]" 1
453 1 10 VAL HB 1 16 LEU HG 5.000 . 5.000 4.674 4.414 4.808 . 0 0 "[ . 1 . 2 .]" 1
454 2 10 VAL HB 2 16 LEU HG 5.000 . 5.000 4.703 4.541 5.147 0.147 17 0 "[ . 1 . 2 .]" 1
455 1 10 VAL H 1 21 ALA MB 4.000 . 4.300 3.524 3.447 3.567 . 0 0 "[ . 1 . 2 .]" 1
456 2 10 VAL H 2 21 ALA MB 4.000 . 4.300 3.523 3.448 3.570 . 0 0 "[ . 1 . 2 .]" 1
457 1 10 VAL MG1 1 21 ALA HA 4.000 . 4.300 2.955 2.715 3.147 . 0 0 "[ . 1 . 2 .]" 1
458 2 10 VAL MG1 2 21 ALA HA 4.000 . 4.300 2.968 2.740 3.196 . 0 0 "[ . 1 . 2 .]" 1
459 1 10 VAL MG1 1 21 ALA MB 5.000 . 5.600 3.065 2.875 3.246 . 0 0 "[ . 1 . 2 .]" 1
460 2 10 VAL MG1 2 21 ALA MB 5.000 . 5.600 3.062 2.932 3.367 . 0 0 "[ . 1 . 2 .]" 1
461 1 10 VAL HB 1 21 ALA MB 5.000 . 5.300 1.963 1.918 2.017 . 0 0 "[ . 1 . 2 .]" 1
462 2 10 VAL HB 2 21 ALA MB 5.000 . 5.300 1.975 1.925 2.126 . 0 0 "[ . 1 . 2 .]" 1
463 1 10 VAL MG2 1 21 ALA MB 5.000 . 5.600 2.482 2.306 2.603 . 0 0 "[ . 1 . 2 .]" 1
464 2 10 VAL MG2 2 21 ALA MB 5.000 . 5.600 2.492 2.362 2.690 . 0 0 "[ . 1 . 2 .]" 1
465 1 10 VAL MG1 1 24 ALA MB 4.000 . 4.600 2.972 2.879 3.028 . 0 0 "[ . 1 . 2 .]" 1
466 2 10 VAL MG1 2 24 ALA MB 4.000 . 4.600 2.978 2.905 3.029 . 0 0 "[ . 1 . 2 .]" 1
467 1 10 VAL MG2 1 25 VAL H 5.500 . 5.800 4.250 3.916 4.466 . 0 0 "[ . 1 . 2 .]" 1
468 2 10 VAL MG2 2 25 VAL H 5.500 . 5.800 4.244 3.864 4.513 . 0 0 "[ . 1 . 2 .]" 1
469 1 10 VAL MG1 2 24 ALA H 5.000 . 5.300 4.153 4.032 4.281 . 0 0 "[ . 1 . 2 .]" 1
470 1 24 ALA H 2 10 VAL MG1 5.000 . 5.300 4.162 4.032 4.397 . 0 0 "[ . 1 . 2 .]" 1
471 1 10 VAL MG1 2 24 ALA HA 2.800 . 3.100 2.047 1.992 2.119 . 0 0 "[ . 1 . 2 .]" 1
472 1 24 ALA HA 2 10 VAL MG1 2.800 . 3.100 2.051 1.986 2.202 . 0 0 "[ . 1 . 2 .]" 1
473 1 10 VAL HA 2 27 ALA MB 2.800 . 3.100 1.871 1.840 1.894 . 0 0 "[ . 1 . 2 .]" 1
474 1 27 ALA MB 2 10 VAL HA 2.800 . 3.100 1.874 1.851 1.903 . 0 0 "[ . 1 . 2 .]" 1
475 1 10 VAL MG2 2 27 ALA MB 4.000 . 4.600 2.899 2.470 2.965 . 0 0 "[ . 1 . 2 .]" 1
476 1 27 ALA MB 2 10 VAL MG2 4.000 . 4.600 2.915 2.558 2.995 . 0 0 "[ . 1 . 2 .]" 1
477 1 10 VAL MG2 2 28 VAL MG1 5.500 . 6.100 4.123 3.450 4.219 . 0 0 "[ . 1 . 2 .]" 1
478 1 28 VAL MG1 2 10 VAL MG2 5.500 . 6.100 4.144 3.955 4.206 . 0 0 "[ . 1 . 2 .]" 1
479 1 10 VAL MG2 2 28 VAL HA 5.500 . 5.800 3.441 3.093 3.857 . 0 0 "[ . 1 . 2 .]" 1
480 1 28 VAL HA 2 10 VAL MG2 5.500 . 5.800 3.385 3.044 3.656 . 0 0 "[ . 1 . 2 .]" 1
481 1 10 VAL MG1 2 28 VAL H 5.000 . 5.300 3.437 3.214 3.667 . 0 0 "[ . 1 . 2 .]" 1
482 1 28 VAL H 2 10 VAL MG1 5.000 . 5.300 3.417 3.231 3.593 . 0 0 "[ . 1 . 2 .]" 1
483 1 11 ALA H 1 11 ALA MB 2.800 . 3.100 2.299 2.241 2.336 . 0 0 "[ . 1 . 2 .]" 1
484 2 11 ALA H 2 11 ALA MB 2.800 . 3.100 2.293 2.251 2.330 . 0 0 "[ . 1 . 2 .]" 1
485 1 11 ALA H 1 12 GLU H 2.800 . 2.800 2.832 2.814 2.845 0.045 16 0 "[ . 1 . 2 .]" 1
486 2 11 ALA H 2 12 GLU H 2.800 . 2.800 2.837 2.817 2.852 0.052 9 0 "[ . 1 . 2 .]" 1
487 1 11 ALA H 1 12 GLU QB 5.000 . 6.000 4.741 4.682 4.789 . 0 0 "[ . 1 . 2 .]" 1
488 2 11 ALA H 2 12 GLU QB 5.000 . 6.000 4.755 4.687 4.803 . 0 0 "[ . 1 . 2 .]" 1
489 1 11 ALA H 1 12 GLU HA 5.500 . 5.500 5.525 5.482 5.536 0.036 13 0 "[ . 1 . 2 .]" 1
490 2 11 ALA H 2 12 GLU HA 5.500 . 5.500 5.524 5.504 5.537 0.037 12 0 "[ . 1 . 2 .]" 1
491 1 11 ALA MB 1 12 GLU HA 5.000 . 5.300 4.235 4.082 4.277 . 0 0 "[ . 1 . 2 .]" 1
492 2 11 ALA MB 2 12 GLU HA 5.000 . 5.300 4.225 4.116 4.268 . 0 0 "[ . 1 . 2 .]" 1
493 1 11 ALA MB 1 12 GLU H 4.000 . 4.300 3.065 2.904 3.106 . 0 0 "[ . 1 . 2 .]" 1
494 2 11 ALA MB 2 12 GLU H 4.000 . 4.300 3.054 2.899 3.106 . 0 0 "[ . 1 . 2 .]" 1
495 1 11 ALA HA 1 12 GLU H 4.000 . 4.000 3.485 3.458 3.620 . 0 0 "[ . 1 . 2 .]" 1
496 2 11 ALA HA 2 12 GLU H 4.000 . 4.000 3.487 3.457 3.592 . 0 0 "[ . 1 . 2 .]" 1
497 1 11 ALA HA 1 12 GLU HA 5.000 . 5.000 4.722 4.690 4.823 . 0 0 "[ . 1 . 2 .]" 1
498 2 11 ALA HA 2 12 GLU HA 5.000 . 5.000 4.707 4.613 4.841 . 0 0 "[ . 1 . 2 .]" 1
499 1 11 ALA MB 1 12 GLU QB 5.000 . 6.300 4.178 4.015 4.231 . 0 0 "[ . 1 . 2 .]" 1
500 2 11 ALA MB 2 12 GLU QB 5.000 . 6.300 4.162 4.013 4.207 . 0 0 "[ . 1 . 2 .]" 1
501 1 11 ALA H 1 13 THR H 5.500 . 5.500 4.557 4.490 4.637 . 0 0 "[ . 1 . 2 .]" 1
502 2 11 ALA H 2 13 THR H 5.500 . 5.500 4.551 4.522 4.588 . 0 0 "[ . 1 . 2 .]" 1
503 1 11 ALA HA 1 13 THR H 5.000 . 5.000 4.712 4.679 4.800 . 0 0 "[ . 1 . 2 .]" 1
504 2 11 ALA HA 2 13 THR H 5.000 . 5.000 4.713 4.640 4.824 . 0 0 "[ . 1 . 2 .]" 1
505 1 11 ALA HA 1 14 SER H 3.600 . 3.600 3.736 3.706 3.760 0.160 10 0 "[ . 1 . 2 .]" 1
506 2 11 ALA HA 2 14 SER H 3.600 . 3.600 3.751 3.713 3.907 0.307 17 0 "[ . 1 . 2 .]" 1
507 1 11 ALA HA 1 16 LEU H 3.500 . 3.500 2.547 1.818 2.679 . 0 0 "[ . 1 . 2 .]" 1
508 2 11 ALA HA 2 16 LEU H 3.500 . 3.500 2.583 1.897 3.561 0.061 17 0 "[ . 1 . 2 .]" 1
509 1 11 ALA HA 1 16 LEU HG 4.000 . 4.000 3.055 2.393 3.125 . 0 0 "[ . 1 . 2 .]" 1
510 2 11 ALA HA 2 16 LEU HG 4.000 . 4.000 3.098 2.450 4.139 0.139 17 0 "[ . 1 . 2 .]" 1
511 1 11 ALA HA 1 16 LEU MD1 4.000 . 4.300 2.005 1.955 2.753 . 0 0 "[ . 1 . 2 .]" 1
512 2 11 ALA HA 2 16 LEU QD 4.000 . 4.300 2.028 1.939 2.949 . 0 0 "[ . 1 . 2 .]" 1
513 1 11 ALA HA 1 16 LEU MD2 4.000 . 4.300 3.495 3.451 3.915 . 0 0 "[ . 1 . 2 .]" 1
514 1 11 ALA MB 1 16 LEU H 5.500 . 5.800 3.486 2.896 3.647 . 0 0 "[ . 1 . 2 .]" 1
515 2 11 ALA MB 2 16 LEU H 5.500 . 5.800 3.540 3.061 4.778 . 0 0 "[ . 1 . 2 .]" 1
516 1 11 ALA H 1 16 LEU MD2 5.000 . 5.300 4.249 4.106 5.583 0.283 10 0 "[ . 1 . 2 .]" 1
517 2 11 ALA H 2 16 LEU QD 5.000 . 5.300 3.006 2.936 3.550 . 0 0 "[ . 1 . 2 .]" 1
518 1 11 ALA MB 1 16 LEU MD2 5.500 . 6.100 4.049 4.003 4.447 . 0 0 "[ . 1 . 2 .]" 1
519 2 11 ALA MB 2 16 LEU QD 5.500 . 6.100 2.235 2.109 3.324 . 0 0 "[ . 1 . 2 .]" 1
520 1 11 ALA HA 1 17 SER H 5.000 . 5.000 4.584 4.515 5.005 0.005 10 0 "[ . 1 . 2 .]" 1
521 2 11 ALA HA 2 17 SER H 5.000 . 5.000 4.578 4.474 4.930 . 0 0 "[ . 1 . 2 .]" 1
522 1 11 ALA MB 1 18 LYS HA 5.000 . 5.300 2.930 2.787 3.417 . 0 0 "[ . 1 . 2 .]" 1
523 2 11 ALA MB 2 18 LYS HA 5.000 . 5.300 2.889 2.601 3.097 . 0 0 "[ . 1 . 2 .]" 1
524 1 11 ALA MB 1 18 LYS H 5.000 . 5.300 4.026 3.889 4.424 . 0 0 "[ . 1 . 2 .]" 1
525 2 11 ALA MB 2 18 LYS H 5.000 . 5.300 3.981 3.707 4.220 . 0 0 "[ . 1 . 2 .]" 1
526 1 11 ALA MB 1 18 LYS QD 5.000 . 6.300 3.248 2.244 4.615 . 0 0 "[ . 1 . 2 .]" 1
527 2 11 ALA MB 2 18 LYS QD 5.000 . 6.300 3.638 2.221 4.714 . 0 0 "[ . 1 . 2 .]" 1
528 1 11 ALA H 1 21 ALA MB 3.600 . 3.900 2.575 2.462 2.611 . 0 0 "[ . 1 . 2 .]" 1
529 2 11 ALA H 2 21 ALA MB 3.600 . 3.900 2.569 2.461 2.608 . 0 0 "[ . 1 . 2 .]" 1
530 1 11 ALA MB 1 21 ALA MB 3.500 . 4.100 2.234 2.048 2.290 . 0 0 "[ . 1 . 2 .]" 1
531 2 11 ALA MB 2 21 ALA MB 3.500 . 4.100 2.214 2.046 2.303 . 0 0 "[ . 1 . 2 .]" 1
532 1 12 GLU H 1 13 THR H 2.800 . 2.800 2.565 2.530 2.594 . 0 0 "[ . 1 . 2 .]" 1
533 2 12 GLU H 2 13 THR H 2.800 . 2.800 2.556 2.505 2.586 . 0 0 "[ . 1 . 2 .]" 1
534 1 12 GLU HA 1 12 GLU QG 2.800 . 3.800 2.745 2.484 3.095 . 0 0 "[ . 1 . 2 .]" 1
535 2 12 GLU HA 2 12 GLU QG 2.800 . 3.800 2.854 2.495 3.088 . 0 0 "[ . 1 . 2 .]" 1
536 1 12 GLU QG 1 13 THR MG 5.500 . 6.800 4.470 3.842 5.002 . 0 0 "[ . 1 . 2 .]" 1
537 2 12 GLU QG 2 13 THR MG 5.500 . 6.800 4.711 3.857 5.015 . 0 0 "[ . 1 . 2 .]" 1
538 1 12 GLU HA 1 13 THR H 3.600 . 3.600 3.637 3.627 3.648 0.048 10 0 "[ . 1 . 2 .]" 1
539 2 12 GLU HA 2 13 THR H 3.600 . 3.600 3.638 3.630 3.645 0.045 8 0 "[ . 1 . 2 .]" 1
540 1 12 GLU QB 1 13 THR H 2.790 . 3.790 2.632 2.556 2.698 . 0 0 "[ . 1 . 2 .]" 1
541 2 12 GLU QB 2 13 THR H 2.790 . 3.790 2.644 2.566 2.707 . 0 0 "[ . 1 . 2 .]" 1
542 1 12 GLU QG 1 13 THR H 5.000 . 6.000 3.693 3.511 4.333 . 0 0 "[ . 1 . 2 .]" 1
543 2 12 GLU QG 2 13 THR H 5.000 . 6.000 3.687 3.510 3.773 . 0 0 "[ . 1 . 2 .]" 1
544 1 12 GLU HA 1 14 SER H 5.000 . 5.000 4.074 3.986 4.137 . 0 0 "[ . 1 . 2 .]" 1
545 2 12 GLU HA 2 14 SER H 5.000 . 5.000 4.080 3.995 4.142 . 0 0 "[ . 1 . 2 .]" 1
546 1 12 GLU HA 1 15 GLY H 4.000 . 4.000 4.073 4.047 4.092 0.092 16 0 "[ . 1 . 2 .]" 1
547 2 12 GLU HA 2 15 GLY H 4.000 . 4.000 4.082 4.052 4.194 0.194 17 0 "[ . 1 . 2 .]" 1
548 1 13 THR H 1 13 THR MG 3.500 . 3.800 2.523 2.400 2.698 . 0 0 "[ . 1 . 2 .]" 1
549 2 13 THR H 2 13 THR MG 3.500 . 3.800 2.585 2.410 2.721 . 0 0 "[ . 1 . 2 .]" 1
550 1 13 THR H 1 13 THR HB 4.000 . 4.000 3.102 2.474 3.779 . 0 0 "[ . 1 . 2 .]" 1
551 2 13 THR H 2 13 THR HB 4.000 . 4.000 2.796 2.464 3.788 . 0 0 "[ . 1 . 2 .]" 1
552 1 13 THR HA 1 13 THR MG 3.500 . 3.800 2.972 2.619 3.283 . 0 0 "[ . 1 . 2 .]" 1
553 2 13 THR HA 2 13 THR MG 3.500 . 3.800 3.123 2.637 3.283 . 0 0 "[ . 1 . 2 .]" 1
554 1 13 THR HA 1 14 SER HA 5.000 . 5.000 4.475 4.360 4.600 . 0 0 "[ . 1 . 2 .]" 1
555 2 13 THR HA 2 14 SER HA 5.000 . 5.000 4.425 4.342 4.589 . 0 0 "[ . 1 . 2 .]" 1
556 1 13 THR H 1 14 SER H 4.000 . 4.000 2.730 2.640 2.864 . 0 0 "[ . 1 . 2 .]" 1
557 2 13 THR H 2 14 SER H 4.000 . 4.000 2.707 2.638 2.894 . 0 0 "[ . 1 . 2 .]" 1
558 1 13 THR HB 1 14 SER H 4.000 . 4.000 4.104 3.935 4.219 0.219 10 0 "[ . 1 . 2 .]" 1
559 2 13 THR HB 2 14 SER H 4.000 . 4.000 4.157 3.990 4.226 0.226 21 0 "[ . 1 . 2 .]" 1
560 1 13 THR HA 1 14 SER H 2.800 . 2.800 3.011 2.890 3.132 0.332 13 0 "[ . 1 . 2 .]" 1
561 2 13 THR HA 2 14 SER H 2.800 . 2.800 2.968 2.879 3.122 0.322 12 0 "[ . 1 . 2 .]" 1
562 1 13 THR MG 1 14 SER H 5.000 . 5.300 3.884 3.421 4.274 . 0 0 "[ . 1 . 2 .]" 1
563 2 13 THR MG 2 14 SER H 5.000 . 5.300 3.726 3.354 4.285 . 0 0 "[ . 1 . 2 .]" 1
564 1 13 THR H 1 15 GLY H 5.000 . 5.000 4.448 4.329 4.605 . 0 0 "[ . 1 . 2 .]" 1
565 2 13 THR H 2 15 GLY H 5.000 . 5.000 4.433 4.332 4.674 . 0 0 "[ . 1 . 2 .]" 1
566 1 13 THR MG 2 27 ALA HA 4.000 . 4.300 2.211 1.989 2.519 . 0 0 "[ . 1 . 2 .]" 1
567 1 27 ALA HA 2 13 THR MG 4.000 . 4.300 2.118 1.991 2.467 . 0 0 "[ . 1 . 2 .]" 1
568 1 13 THR MG 2 27 ALA MB 4.000 . 4.600 2.511 1.980 3.021 . 0 0 "[ . 1 . 2 .]" 1
569 1 27 ALA MB 2 13 THR MG 4.000 . 4.600 2.275 1.985 3.043 . 0 0 "[ . 1 . 2 .]" 1
570 1 14 SER H 1 14 SER QB 3.500 . 4.500 2.878 2.723 3.016 . 0 0 "[ . 1 . 2 .]" 1
571 2 14 SER H 2 14 SER QB 3.500 . 4.500 2.884 2.704 3.188 . 0 0 "[ . 1 . 2 .]" 1
572 1 14 SER H 1 15 GLY H 2.800 . 2.800 2.156 2.101 2.196 . 0 0 "[ . 1 . 2 .]" 1
573 2 14 SER H 2 15 GLY H 2.800 . 2.800 2.159 2.065 2.403 . 0 0 "[ . 1 . 2 .]" 1
574 1 14 SER HA 1 15 GLY H 5.000 . 5.000 3.583 3.535 3.603 . 0 0 "[ . 1 . 2 .]" 1
575 2 14 SER HA 2 15 GLY H 5.000 . 5.000 3.585 3.511 3.676 . 0 0 "[ . 1 . 2 .]" 1
576 1 14 SER QB 1 15 GLY QA 4.000 . 6.000 4.193 4.022 4.367 . 0 0 "[ . 1 . 2 .]" 1
577 2 14 SER QB 2 15 GLY QA 4.000 . 6.000 4.229 4.032 4.730 . 0 0 "[ . 1 . 2 .]" 1
578 1 14 SER QB 1 15 GLY H 5.000 . 6.000 3.019 2.876 3.150 . 0 0 "[ . 1 . 2 .]" 1
579 2 14 SER QB 2 15 GLY H 5.000 . 6.000 3.047 2.608 3.867 . 0 0 "[ . 1 . 2 .]" 1
580 1 14 SER H 1 16 LEU H 5.000 . 5.000 4.519 4.188 4.670 . 0 0 "[ . 1 . 2 .]" 1
581 2 14 SER H 2 16 LEU H 5.000 . 5.000 4.540 4.036 4.761 . 0 0 "[ . 1 . 2 .]" 1
582 1 14 SER QB 1 16 LEU H 4.000 . 5.000 3.328 2.987 3.619 . 0 0 "[ . 1 . 2 .]" 1
583 2 14 SER QB 2 16 LEU H 4.000 . 5.000 3.419 2.812 4.467 . 0 0 "[ . 1 . 2 .]" 1
584 1 14 SER QB 1 16 LEU HG 4.000 . 5.000 2.284 2.126 2.447 . 0 0 "[ . 1 . 2 .]" 1
585 2 14 SER QB 2 16 LEU HG 4.000 . 5.000 2.397 2.131 3.665 . 0 0 "[ . 1 . 2 .]" 1
586 1 14 SER HA 1 16 LEU HG 5.500 . 5.500 5.034 4.808 5.172 . 0 0 "[ . 1 . 2 .]" 1
587 2 14 SER HA 2 16 LEU HG 5.500 . 5.500 5.068 4.712 5.423 . 0 0 "[ . 1 . 2 .]" 1
588 1 14 SER QB 1 16 LEU MD1 5.000 . 6.300 3.341 2.425 3.537 . 0 0 "[ . 1 . 2 .]" 1
589 2 14 SER QB 2 16 LEU QD 5.000 . 5.300 2.451 2.027 3.333 . 0 0 "[ . 1 . 2 .]" 1
590 1 14 SER QB 1 16 LEU MD2 4.000 . 5.300 2.520 2.397 2.872 . 0 0 "[ . 1 . 2 .]" 1
591 1 15 GLY H 1 16 LEU H 4.000 . 4.000 2.798 2.568 2.882 . 0 0 "[ . 1 . 2 .]" 1
592 2 15 GLY H 2 16 LEU H 4.000 . 4.000 2.794 2.327 2.928 . 0 0 "[ . 1 . 2 .]" 1
593 1 15 GLY H 1 16 LEU QB 5.000 . 6.000 5.117 4.611 5.184 . 0 0 "[ . 1 . 2 .]" 1
594 2 15 GLY H 2 16 LEU QB 5.000 . 6.000 5.020 2.498 5.270 . 0 0 "[ . 1 . 2 .]" 1
595 1 15 GLY H 1 16 LEU HG 5.000 . 5.000 3.926 3.457 3.993 . 0 0 "[ . 1 . 2 .]" 1
596 2 15 GLY H 2 16 LEU HG 5.000 . 5.000 3.938 3.593 4.255 . 0 0 "[ . 1 . 2 .]" 1
597 1 15 GLY H 1 16 LEU MD1 5.500 . 5.800 4.021 3.942 4.571 . 0 0 "[ . 1 . 2 .]" 1
598 2 15 GLY H 2 16 LEU QD 5.500 . 5.800 3.816 3.721 4.191 . 0 0 "[ . 1 . 2 .]" 1
599 1 15 GLY QA 1 16 LEU H 4.000 . 5.000 2.518 2.452 2.591 . 0 0 "[ . 1 . 2 .]" 1
600 2 15 GLY QA 2 16 LEU H 4.000 . 5.000 2.503 2.397 2.595 . 0 0 "[ . 1 . 2 .]" 1
601 1 15 GLY QA 1 17 SER H 5.000 . 6.000 5.381 5.360 5.558 . 0 0 "[ . 1 . 2 .]" 1
602 2 15 GLY QA 2 17 SER H 5.000 . 6.000 5.389 5.361 5.554 . 0 0 "[ . 1 . 2 .]" 1
603 1 16 LEU H 1 16 LEU HG 3.500 . 3.500 2.271 2.235 2.310 . 0 0 "[ . 1 . 2 .]" 1
604 2 16 LEU H 2 16 LEU HG 3.500 . 3.500 2.294 2.234 2.592 . 0 0 "[ . 1 . 2 .]" 1
605 1 16 LEU H 1 16 LEU MD1 4.000 . 4.300 2.151 2.029 3.663 . 0 0 "[ . 1 . 2 .]" 1
606 2 16 LEU H 2 16 LEU QD 4.000 . 4.300 2.158 1.985 3.208 . 0 0 "[ . 1 . 2 .]" 1
607 1 16 LEU H 1 16 LEU MD2 4.000 . 4.300 3.652 3.381 3.679 . 0 0 "[ . 1 . 2 .]" 1
608 2 16 LEU HA 2 16 LEU QD . . 3.800 3.195 2.049 3.293 . 0 0 "[ . 1 . 2 .]" 1
609 1 16 LEU HA 1 16 LEU MD1 3.500 . 3.800 3.441 3.405 4.073 0.273 10 0 "[ . 1 . 2 .]" 1
610 1 16 LEU QB 1 16 LEU MD1 2.800 . 4.100 2.528 2.255 2.562 . 0 0 "[ . 1 . 2 .]" 1
611 1 16 LEU H 1 17 SER H 5.000 . 5.000 3.583 3.504 4.281 . 0 0 "[ . 1 . 2 .]" 1
612 2 16 LEU H 2 17 SER H 5.000 . 5.000 3.597 3.492 4.284 . 0 0 "[ . 1 . 2 .]" 1
613 1 16 LEU HA 1 17 SER H 2.800 . 2.800 2.920 2.006 2.973 0.173 19 0 "[ . 1 . 2 .]" 1
614 2 16 LEU HA 2 17 SER H 2.800 . 2.800 2.874 1.869 2.973 0.173 8 0 "[ . 1 . 2 .]" 1
615 1 16 LEU HG 1 17 SER H 5.000 . 5.000 3.695 3.631 4.614 . 0 0 "[ . 1 . 2 .]" 1
616 2 16 LEU HG 2 17 SER H 5.000 . 5.000 3.706 3.623 4.587 . 0 0 "[ . 1 . 2 .]" 1
617 1 16 LEU MD1 1 17 SER H 4.000 . 4.300 1.939 1.815 4.444 0.144 10 0 "[ . 1 . 2 .]" 1
618 2 16 LEU QD 2 17 SER H 4.000 . 4.300 1.894 1.798 3.205 0.002 25 0 "[ . 1 . 2 .]" 1
619 1 16 LEU MD2 1 17 SER H 5.000 . 5.300 3.688 3.283 3.763 . 0 0 "[ . 1 . 2 .]" 1
620 1 16 LEU HA 1 20 ASP HB3 5.000 . 5.000 4.966 4.595 5.029 0.029 14 0 "[ . 1 . 2 .]" 1
621 2 16 LEU HA 2 20 ASP HB3 5.000 . 5.000 4.965 4.360 5.026 0.026 2 0 "[ . 1 . 2 .]" 1
622 1 16 LEU MD1 1 20 ASP HB3 4.000 . 4.300 3.299 3.256 3.973 . 0 0 "[ . 1 . 2 .]" 1
623 2 16 LEU QD 2 20 ASP HB3 4.000 . 4.300 2.883 2.304 2.963 . 0 0 "[ . 1 . 2 .]" 1
624 1 16 LEU MD1 1 20 ASP HB2 4.000 . 4.300 2.865 2.702 4.261 . 0 0 "[ . 1 . 2 .]" 1
625 2 16 LEU QD 2 20 ASP HB2 4.000 . 4.300 2.701 2.104 3.152 . 0 0 "[ . 1 . 2 .]" 1
626 1 16 LEU MD2 1 20 ASP HB2 5.000 . 5.300 3.968 3.290 4.215 . 0 0 "[ . 1 . 2 .]" 1
627 1 16 LEU QB 1 21 ALA MB 5.500 . 6.800 4.451 1.991 4.574 . 0 0 "[ . 1 . 2 .]" 1
628 2 16 LEU QB 2 21 ALA MB 5.500 . 6.800 4.386 2.096 4.586 . 0 0 "[ . 1 . 2 .]" 1
629 1 16 LEU MD1 1 21 ALA H 5.000 . 5.300 2.704 2.604 3.654 . 0 0 "[ . 1 . 2 .]" 1
630 2 16 LEU QD 2 21 ALA H 5.000 . 5.300 2.672 2.552 3.469 . 0 0 "[ . 1 . 2 .]" 1
631 1 16 LEU MD2 1 21 ALA H 5.000 . 5.300 4.098 3.949 4.290 . 0 0 "[ . 1 . 2 .]" 1
632 1 16 LEU MD2 1 21 ALA HA 4.000 . 4.300 2.941 2.708 3.986 . 0 0 "[ . 1 . 2 .]" 1
633 2 16 LEU QD 2 21 ALA HA 4.000 . 4.300 2.658 2.201 2.788 . 0 0 "[ . 1 . 2 .]" 1
634 1 16 LEU MD1 1 21 ALA MB 5.000 . 5.600 1.894 1.857 2.101 . 0 0 "[ . 1 . 2 .]" 1
635 2 16 LEU QD 2 21 ALA MB . . 4.600 1.896 1.840 2.410 . 0 0 "[ . 1 . 2 .]" 1
636 1 16 LEU MD1 1 21 ALA HA 5.000 . 5.300 3.106 2.162 3.257 . 0 0 "[ . 1 . 2 .]" 1
637 1 16 LEU MD2 1 21 ALA MB 4.000 . 4.600 2.977 2.898 3.824 . 0 0 "[ . 1 . 2 .]" 1
638 1 16 LEU MD2 1 24 ALA MB 5.000 . 5.600 3.076 2.943 3.922 . 0 0 "[ . 1 . 2 .]" 1
639 2 16 LEU QD 2 24 ALA MB 5.000 . 5.600 2.963 2.670 3.062 . 0 0 "[ . 1 . 2 .]" 1
640 1 17 SER H 1 17 SER HB2 4.000 . 4.000 3.081 2.870 3.119 . 0 0 "[ . 1 . 2 .]" 1
641 2 17 SER H 2 17 SER HB2 4.000 . 4.000 3.074 2.875 3.139 . 0 0 "[ . 1 . 2 .]" 1
642 1 17 SER H 1 17 SER HB3 4.000 . 4.000 4.070 3.922 4.081 0.081 7 0 "[ . 1 . 2 .]" 1
643 2 17 SER H 2 17 SER HB3 4.000 . 4.000 4.063 3.897 4.089 0.089 15 0 "[ . 1 . 2 .]" 1
644 1 17 SER HA 1 18 LYS HA 5.000 . 5.000 4.504 4.471 4.520 . 0 0 "[ . 1 . 2 .]" 1
645 2 17 SER HA 2 18 LYS HA 5.000 . 5.000 4.503 4.480 4.520 . 0 0 "[ . 1 . 2 .]" 1
646 1 17 SER H 1 18 LYS H 5.000 . 5.000 4.519 4.488 4.664 . 0 0 "[ . 1 . 2 .]" 1
647 2 17 SER H 2 18 LYS H 5.000 . 5.000 4.521 4.455 4.743 . 0 0 "[ . 1 . 2 .]" 1
648 1 17 SER HB2 1 18 LYS H 3.500 . 3.500 3.558 3.533 3.571 0.071 21 0 "[ . 1 . 2 .]" 1
649 2 17 SER HB2 2 18 LYS H 3.500 . 3.500 3.559 3.545 3.570 0.070 15 0 "[ . 1 . 2 .]" 1
650 1 17 SER HB3 1 18 LYS H 4.000 . 4.000 2.472 2.381 2.545 . 0 0 "[ . 1 . 2 .]" 1
651 2 17 SER HB3 2 18 LYS H 4.000 . 4.000 2.472 2.403 2.548 . 0 0 "[ . 1 . 2 .]" 1
652 1 17 SER HB3 1 18 LYS HA 5.000 . 5.000 4.954 4.897 4.994 . 0 0 "[ . 1 . 2 .]" 1
653 2 17 SER HB3 2 18 LYS HA 5.000 . 5.000 4.956 4.906 5.004 0.004 21 0 "[ . 1 . 2 .]" 1
654 1 17 SER HA 1 18 LYS H 4.000 . 4.000 2.311 2.263 2.361 . 0 0 "[ . 1 . 2 .]" 1
655 2 17 SER HA 2 18 LYS H 4.000 . 4.000 2.298 2.247 2.329 . 0 0 "[ . 1 . 2 .]" 1
656 1 17 SER HA 1 19 LYS H 5.000 . 5.000 4.320 4.251 4.425 . 0 0 "[ . 1 . 2 .]" 1
657 2 17 SER HA 2 19 LYS H 5.000 . 5.000 4.316 4.237 4.393 . 0 0 "[ . 1 . 2 .]" 1
658 1 17 SER HB3 1 19 LYS H 3.500 . 3.500 2.891 2.819 2.951 . 0 0 "[ . 1 . 2 .]" 1
659 2 17 SER HB3 2 19 LYS H 3.500 . 3.500 2.892 2.828 2.972 . 0 0 "[ . 1 . 2 .]" 1
660 1 17 SER HB2 1 20 ASP H 5.000 . 5.000 1.894 1.839 1.933 . 0 0 "[ . 1 . 2 .]" 1
661 2 17 SER HB2 2 20 ASP H 5.000 . 5.000 1.905 1.858 1.968 . 0 0 "[ . 1 . 2 .]" 1
662 1 17 SER H 1 20 ASP H 5.000 . 5.000 3.702 3.666 3.759 . 0 0 "[ . 1 . 2 .]" 1
663 2 17 SER H 2 20 ASP H 5.000 . 5.000 3.723 3.666 4.155 . 0 0 "[ . 1 . 2 .]" 1
664 1 17 SER H 1 20 ASP HB3 4.000 . 4.000 3.326 3.233 3.748 . 0 0 "[ . 1 . 2 .]" 1
665 2 17 SER H 2 20 ASP HB3 4.000 . 4.000 3.357 3.272 4.004 0.004 17 0 "[ . 1 . 2 .]" 1
666 1 17 SER H 1 20 ASP HB2 5.000 . 5.000 2.144 2.064 2.265 . 0 0 "[ . 1 . 2 .]" 1
667 2 17 SER H 2 20 ASP HB2 5.000 . 5.000 2.139 2.028 2.566 . 0 0 "[ . 1 . 2 .]" 1
668 1 17 SER HA 1 20 ASP H 4.000 . 4.000 4.160 4.147 4.182 0.182 10 0 "[ . 1 . 2 .]" 1
669 2 17 SER HA 2 20 ASP H 4.000 . 4.000 4.161 4.148 4.191 0.191 17 0 "[ . 1 . 2 .]" 1
670 1 17 SER H 1 21 ALA H 5.000 . 5.000 3.715 3.599 3.831 . 0 0 "[ . 1 . 2 .]" 1
671 2 17 SER H 2 21 ALA H 5.000 . 5.000 3.756 3.627 4.513 . 0 0 "[ . 1 . 2 .]" 1
672 1 18 LYS H 1 19 LYS H 2.800 . 2.800 2.548 2.505 2.604 . 0 0 "[ . 1 . 2 .]" 1
673 2 18 LYS H 2 19 LYS H 2.800 . 2.800 2.551 2.486 2.606 . 0 0 "[ . 1 . 2 .]" 1
674 1 18 LYS HA 1 19 LYS HA 5.500 . 5.500 4.858 4.779 4.901 . 0 0 "[ . 1 . 2 .]" 1
675 2 18 LYS HA 2 19 LYS HA 5.500 . 5.500 4.868 4.767 4.937 . 0 0 "[ . 1 . 2 .]" 1
676 1 18 LYS HA 1 19 LYS H 4.000 . 4.000 3.548 3.536 3.564 . 0 0 "[ . 1 . 2 .]" 1
677 2 18 LYS HA 2 19 LYS H 4.000 . 4.000 3.548 3.522 3.580 . 0 0 "[ . 1 . 2 .]" 1
678 1 18 LYS QG 1 19 LYS H 5.000 . 6.000 4.207 3.819 4.664 . 0 0 "[ . 1 . 2 .]" 1
679 2 18 LYS QG 2 19 LYS H 5.000 . 6.000 4.122 3.671 4.742 . 0 0 "[ . 1 . 2 .]" 1
680 1 18 LYS HA 1 20 ASP H 5.000 . 5.000 4.312 4.265 4.394 . 0 0 "[ . 1 . 2 .]" 1
681 2 18 LYS HA 2 20 ASP H 5.000 . 5.000 4.314 4.243 4.410 . 0 0 "[ . 1 . 2 .]" 1
682 1 18 LYS H 1 20 ASP H 5.000 . 5.000 3.789 3.752 3.874 . 0 0 "[ . 1 . 2 .]" 1
683 2 18 LYS H 2 20 ASP H 5.000 . 5.000 3.786 3.686 3.837 . 0 0 "[ . 1 . 2 .]" 1
684 1 18 LYS H 1 21 ALA MB 5.500 . 5.800 4.720 4.694 4.747 . 0 0 "[ . 1 . 2 .]" 1
685 2 18 LYS H 2 21 ALA MB 5.500 . 5.800 4.719 4.670 4.749 . 0 0 "[ . 1 . 2 .]" 1
686 1 18 LYS HA 1 21 ALA H 3.600 . 3.600 3.418 3.300 3.649 0.049 10 0 "[ . 1 . 2 .]" 1
687 2 18 LYS HA 2 21 ALA H 3.600 . 3.600 3.430 3.312 3.605 0.005 25 0 "[ . 1 . 2 .]" 1
688 1 18 LYS HA 1 21 ALA MB 4.000 . 4.300 2.538 2.451 2.751 . 0 0 "[ . 1 . 2 .]" 1
689 2 18 LYS HA 2 21 ALA MB 4.000 . 4.300 2.545 2.433 2.730 . 0 0 "[ . 1 . 2 .]" 1
690 1 18 LYS HA 1 22 THR H 4.000 . 4.000 4.039 4.019 4.066 0.066 7 0 "[ . 1 . 2 .]" 1
691 2 18 LYS HA 2 22 THR H 4.000 . 4.000 4.053 4.011 4.123 0.123 5 0 "[ . 1 . 2 .]" 1
692 1 19 LYS H 1 20 ASP H 2.800 . 2.800 2.806 2.753 2.825 0.025 19 0 "[ . 1 . 2 .]" 1
693 2 19 LYS H 2 20 ASP H 2.800 . 2.800 2.807 2.752 2.823 0.023 25 0 "[ . 1 . 2 .]" 1
694 1 19 LYS HA 1 20 ASP H 5.000 . 5.000 3.655 3.644 3.679 . 0 0 "[ . 1 . 2 .]" 1
695 2 19 LYS HA 2 20 ASP H 5.000 . 5.000 3.653 3.639 3.666 . 0 0 "[ . 1 . 2 .]" 1
696 1 19 LYS HB3 1 20 ASP H 5.000 . 5.000 3.416 2.906 3.929 . 0 0 "[ . 1 . 2 .]" 1
697 2 19 LYS HB3 2 20 ASP H 5.000 . 5.000 3.366 2.858 3.884 . 0 0 "[ . 1 . 2 .]" 1
698 1 19 LYS QG 1 20 ASP H 5.500 . 6.500 4.214 3.918 4.753 . 0 0 "[ . 1 . 2 .]" 1
699 2 19 LYS QG 2 20 ASP H 5.500 . 6.500 4.213 3.887 4.818 . 0 0 "[ . 1 . 2 .]" 1
700 1 19 LYS HA 1 20 ASP HA 5.000 . 5.000 4.798 4.705 4.835 . 0 0 "[ . 1 . 2 .]" 1
701 2 19 LYS HA 2 20 ASP HA 5.000 . 5.000 4.806 4.759 4.844 . 0 0 "[ . 1 . 2 .]" 1
702 1 19 LYS H 1 21 ALA H 5.000 . 5.000 4.242 4.183 4.464 . 0 0 "[ . 1 . 2 .]" 1
703 2 19 LYS H 2 21 ALA H 5.000 . 5.000 4.244 4.192 4.386 . 0 0 "[ . 1 . 2 .]" 1
704 1 19 LYS HA 1 22 THR H 3.600 . 3.600 3.610 3.556 3.680 0.080 10 0 "[ . 1 . 2 .]" 1
705 2 19 LYS HA 2 22 THR H 3.600 . 3.600 3.609 3.546 3.677 0.077 5 0 "[ . 1 . 2 .]" 1
706 1 19 LYS HA 1 22 THR HB 5.000 . 5.000 3.194 2.842 4.295 . 0 0 "[ . 1 . 2 .]" 1
707 2 19 LYS HA 2 22 THR HB 5.000 . 5.000 3.154 2.829 4.277 . 0 0 "[ . 1 . 2 .]" 1
708 1 19 LYS HA 1 23 LYS H 5.000 . 5.000 4.122 3.936 4.309 . 0 0 "[ . 1 . 2 .]" 1
709 2 19 LYS HA 2 23 LYS H 5.000 . 5.000 4.165 4.053 4.291 . 0 0 "[ . 1 . 2 .]" 1
710 1 20 ASP H 1 20 ASP HB3 4.000 . 4.000 3.722 3.676 3.803 . 0 0 "[ . 1 . 2 .]" 1
711 2 20 ASP H 2 20 ASP HB3 4.000 . 4.000 3.727 3.673 3.802 . 0 0 "[ . 1 . 2 .]" 1
712 1 20 ASP H 1 20 ASP HB2 4.000 . 4.000 2.467 2.409 2.614 . 0 0 "[ . 1 . 2 .]" 1
713 2 20 ASP H 2 20 ASP HB2 4.000 . 4.000 2.474 2.402 2.620 . 0 0 "[ . 1 . 2 .]" 1
714 1 20 ASP H 1 21 ALA H 2.800 . 2.800 2.588 2.567 2.668 . 0 0 "[ . 1 . 2 .]" 1
715 2 20 ASP H 2 21 ALA H 2.800 . 2.800 2.582 2.538 2.650 . 0 0 "[ . 1 . 2 .]" 1
716 1 20 ASP HA 1 21 ALA H 4.000 . 4.000 3.509 3.476 3.549 . 0 0 "[ . 1 . 2 .]" 1
717 2 20 ASP HA 2 21 ALA H 4.000 . 4.000 3.507 3.470 3.521 . 0 0 "[ . 1 . 2 .]" 1
718 1 20 ASP HB3 1 21 ALA H 4.000 . 4.000 3.699 3.650 3.729 . 0 0 "[ . 1 . 2 .]" 1
719 2 20 ASP HB3 2 21 ALA H 4.000 . 4.000 3.704 3.643 3.926 . 0 0 "[ . 1 . 2 .]" 1
720 1 20 ASP HB2 1 21 ALA H 5.000 . 5.000 3.134 2.962 3.256 . 0 0 "[ . 1 . 2 .]" 1
721 2 20 ASP HB2 2 21 ALA H 5.000 . 5.000 3.098 2.944 3.251 . 0 0 "[ . 1 . 2 .]" 1
722 1 20 ASP H 1 22 THR H 5.000 . 5.000 4.294 4.198 4.387 . 0 0 "[ . 1 . 2 .]" 1
723 2 20 ASP H 2 22 THR H 5.000 . 5.000 4.287 4.124 4.422 . 0 0 "[ . 1 . 2 .]" 1
724 1 20 ASP HA 1 22 THR H 5.000 . 5.000 4.552 4.330 4.646 . 0 0 "[ . 1 . 2 .]" 1
725 2 20 ASP HA 2 22 THR H 5.000 . 5.000 4.556 4.419 4.620 . 0 0 "[ . 1 . 2 .]" 1
726 1 20 ASP HA 1 23 LYS H 3.600 . 3.600 3.651 3.624 3.719 0.119 16 0 "[ . 1 . 2 .]" 1
727 2 20 ASP HA 2 23 LYS H 3.600 . 3.600 3.652 3.622 3.730 0.130 5 0 "[ . 1 . 2 .]" 1
728 1 20 ASP HA 1 23 LYS HB2 2.800 . 2.800 2.554 2.322 2.715 . 0 0 "[ . 1 . 2 .]" 1
729 2 20 ASP HA 2 23 LYS HB2 2.800 . 2.800 2.591 2.342 2.714 . 0 0 "[ . 1 . 2 .]" 1
730 1 20 ASP HA 1 23 LYS HB3 5.000 . 5.000 3.924 3.251 4.222 . 0 0 "[ . 1 . 2 .]" 1
731 2 20 ASP HA 2 23 LYS HB3 5.000 . 5.000 3.976 3.222 4.224 . 0 0 "[ . 1 . 2 .]" 1
732 1 20 ASP HA 1 23 LYS QD 4.000 . 5.000 2.709 2.206 4.522 . 0 0 "[ . 1 . 2 .]" 1
733 2 20 ASP HA 2 23 LYS QD 4.000 . 5.000 2.710 2.249 4.513 . 0 0 "[ . 1 . 2 .]" 1
734 1 20 ASP HA 1 24 ALA H 4.000 . 4.000 3.857 3.770 3.940 . 0 0 "[ . 1 . 2 .]" 1
735 2 20 ASP HA 2 24 ALA H 4.000 . 4.000 3.894 3.804 4.004 0.004 21 0 "[ . 1 . 2 .]" 1
736 1 12 GLU H 1 21 ALA MB 5.500 . 5.800 4.864 4.706 4.898 . 0 0 "[ . 1 . 2 .]" 1
737 2 12 GLU H 2 21 ALA MB 5.500 . 5.800 4.858 4.734 4.890 . 0 0 "[ . 1 . 2 .]" 1
738 1 21 ALA H 1 21 ALA MB 2.800 . 3.100 2.251 2.168 2.285 . 0 0 "[ . 1 . 2 .]" 1
739 2 21 ALA H 2 21 ALA MB 2.800 . 3.100 2.250 2.205 2.290 . 0 0 "[ . 1 . 2 .]" 1
740 1 21 ALA H 1 22 THR HB 5.000 . 5.000 4.991 4.853 5.019 0.019 10 0 "[ . 1 . 2 .]" 1
741 2 21 ALA H 2 22 THR HB 5.000 . 5.000 4.999 4.869 5.061 0.061 21 0 "[ . 1 . 2 .]" 1
742 1 21 ALA H 1 22 THR H 2.800 . 2.800 2.664 2.627 2.821 0.021 10 0 "[ . 1 . 2 .]" 1
743 2 21 ALA H 2 22 THR H 2.800 . 2.800 2.666 2.629 2.778 . 0 0 "[ . 1 . 2 .]" 1
744 1 21 ALA HA 1 22 THR H 3.600 . 3.600 3.619 3.603 3.627 0.027 4 0 "[ . 1 . 2 .]" 1
745 2 21 ALA HA 2 22 THR H 3.600 . 3.600 3.621 3.611 3.630 0.030 8 0 "[ . 1 . 2 .]" 1
746 1 21 ALA MB 1 22 THR H 3.500 . 3.800 2.800 2.720 2.930 . 0 0 "[ . 1 . 2 .]" 1
747 2 21 ALA MB 2 22 THR H 3.500 . 3.800 2.798 2.654 2.941 . 0 0 "[ . 1 . 2 .]" 1
748 1 21 ALA MB 1 23 LYS H 5.500 . 5.800 4.776 4.664 4.852 . 0 0 "[ . 1 . 2 .]" 1
749 2 21 ALA MB 2 23 LYS H 5.500 . 5.800 4.781 4.642 4.860 . 0 0 "[ . 1 . 2 .]" 1
750 1 21 ALA H 1 23 LYS H 5.000 . 5.000 4.204 4.088 4.412 . 0 0 "[ . 1 . 2 .]" 1
751 2 21 ALA H 2 23 LYS H 5.000 . 5.000 4.214 4.137 4.365 . 0 0 "[ . 1 . 2 .]" 1
752 1 21 ALA HA 1 24 ALA H 3.600 . 3.600 3.543 3.366 3.613 0.013 6 0 "[ . 1 . 2 .]" 1
753 2 21 ALA HA 2 24 ALA H 3.600 . 3.600 3.529 3.424 3.612 0.012 23 0 "[ . 1 . 2 .]" 1
754 1 21 ALA HA 1 24 ALA MB 3.500 . 3.800 2.313 2.224 2.464 . 0 0 "[ . 1 . 2 .]" 1
755 2 21 ALA HA 2 24 ALA MB 3.500 . 3.800 2.308 2.227 2.408 . 0 0 "[ . 1 . 2 .]" 1
756 1 21 ALA HA 1 25 VAL H 4.000 . 4.000 3.968 3.828 4.069 0.069 10 0 "[ . 1 . 2 .]" 1
757 2 21 ALA HA 2 25 VAL H 4.000 . 4.000 3.948 3.815 4.065 0.065 5 0 "[ . 1 . 2 .]" 1
758 1 21 ALA MB 1 25 VAL MG2 5.500 . 6.100 3.737 3.535 3.951 . 0 0 "[ . 1 . 2 .]" 1
759 2 21 ALA MB 2 25 VAL MG2 5.500 . 6.100 3.725 3.569 3.886 . 0 0 "[ . 1 . 2 .]" 1
760 1 21 ALA HA 1 25 VAL MG2 5.500 . 5.800 4.056 3.832 4.331 . 0 0 "[ . 1 . 2 .]" 1
761 2 21 ALA HA 2 25 VAL MG2 5.500 . 5.800 4.056 3.865 4.313 . 0 0 "[ . 1 . 2 .]" 1
762 1 22 THR H 1 22 THR HB 2.800 . 2.800 2.721 2.336 2.814 0.014 7 0 "[ . 1 . 2 .]" 1
763 2 22 THR H 2 22 THR HB 2.800 . 2.800 2.730 2.321 2.811 0.011 12 0 "[ . 1 . 2 .]" 1
764 1 22 THR H 1 22 THR MG 4.000 . 4.300 3.591 2.755 3.770 . 0 0 "[ . 1 . 2 .]" 1
765 2 22 THR H 2 22 THR MG 4.000 . 4.300 3.634 2.739 3.768 . 0 0 "[ . 1 . 2 .]" 1
766 1 22 THR H 1 23 LYS H 2.800 . 2.800 2.736 2.490 2.810 0.010 13 0 "[ . 1 . 2 .]" 1
767 2 22 THR H 2 23 LYS H 2.800 . 2.800 2.759 2.562 2.826 0.026 25 0 "[ . 1 . 2 .]" 1
768 1 22 THR HA 1 23 LYS H 5.000 . 5.000 3.473 3.389 3.503 . 0 0 "[ . 1 . 2 .]" 1
769 2 22 THR HA 2 23 LYS H 5.000 . 5.000 3.477 3.387 3.505 . 0 0 "[ . 1 . 2 .]" 1
770 1 22 THR HB 1 23 LYS H 4.000 . 4.000 2.604 2.371 3.678 . 0 0 "[ . 1 . 2 .]" 1
771 2 22 THR HB 2 23 LYS H 4.000 . 4.000 2.558 2.354 3.673 . 0 0 "[ . 1 . 2 .]" 1
772 1 22 THR MG 1 23 LYS H 4.000 . 4.300 3.522 2.849 3.660 . 0 0 "[ . 1 . 2 .]" 1
773 2 22 THR MG 2 23 LYS H 4.000 . 4.300 3.548 2.923 3.664 . 0 0 "[ . 1 . 2 .]" 1
774 1 22 THR MG 1 23 LYS HA 5.000 . 5.300 4.165 4.032 4.255 . 0 0 "[ . 1 . 2 .]" 1
775 2 22 THR MG 2 23 LYS HA 5.000 . 5.300 4.157 4.057 4.242 . 0 0 "[ . 1 . 2 .]" 1
776 1 22 THR HB 1 23 LYS HB2 5.000 . 5.000 4.784 4.505 5.415 0.415 16 0 "[ . 1 . 2 .]" 1
777 2 22 THR HB 2 23 LYS HB2 5.000 . 5.000 4.743 4.548 5.417 0.417 20 0 "[ . 1 . 2 .]" 1
778 1 22 THR H 1 24 ALA H 5.000 . 5.000 4.278 3.867 4.400 . 0 0 "[ . 1 . 2 .]" 1
779 2 22 THR H 2 24 ALA H 5.000 . 5.000 4.296 3.933 4.443 . 0 0 "[ . 1 . 2 .]" 1
780 1 22 THR H 1 25 VAL H 5.000 . 5.000 4.965 4.690 5.058 0.058 23 0 "[ . 1 . 2 .]" 1
781 2 22 THR H 2 25 VAL H 5.000 . 5.000 4.985 4.736 5.047 0.047 24 0 "[ . 1 . 2 .]" 1
782 1 22 THR HA 1 25 VAL MG2 5.000 . 5.300 3.531 2.977 3.836 . 0 0 "[ . 1 . 2 .]" 1
783 2 22 THR HA 2 25 VAL MG2 5.000 . 5.300 3.595 3.040 3.864 . 0 0 "[ . 1 . 2 .]" 1
784 1 22 THR HA 1 25 VAL HB 5.000 . 5.000 2.883 2.211 3.188 . 0 0 "[ . 1 . 2 .]" 1
785 2 22 THR HA 2 25 VAL HB 5.000 . 5.000 2.939 2.294 3.140 . 0 0 "[ . 1 . 2 .]" 1
786 1 22 THR HA 1 25 VAL H 4.000 . 4.000 3.843 3.154 4.067 0.067 14 0 "[ . 1 . 2 .]" 1
787 2 22 THR HA 2 25 VAL H 4.000 . 4.000 3.886 3.211 4.028 0.028 22 0 "[ . 1 . 2 .]" 1
788 1 22 THR HA 1 26 ASP H 5.000 . 5.000 4.296 3.911 4.437 . 0 0 "[ . 1 . 2 .]" 1
789 2 22 THR HA 2 26 ASP H 5.000 . 5.000 4.300 3.852 4.477 . 0 0 "[ . 1 . 2 .]" 1
790 1 23 LYS H 1 23 LYS HB2 4.000 . 4.000 2.307 1.847 2.434 . 0 0 "[ . 1 . 2 .]" 1
791 2 23 LYS H 2 23 LYS HB2 4.000 . 4.000 2.316 1.835 2.428 . 0 0 "[ . 1 . 2 .]" 1
792 1 23 LYS H 1 24 ALA H 2.800 . 2.800 2.759 2.614 2.809 0.009 25 0 "[ . 1 . 2 .]" 1
793 2 23 LYS H 2 24 ALA H 2.800 . 2.800 2.756 2.574 2.810 0.010 12 0 "[ . 1 . 2 .]" 1
794 1 23 LYS QG 1 24 ALA H 4.000 . 5.000 4.051 3.936 4.171 . 0 0 "[ . 1 . 2 .]" 1
795 2 23 LYS QG 2 24 ALA H 4.000 . 5.000 4.048 3.946 4.171 . 0 0 "[ . 1 . 2 .]" 1
796 1 23 LYS H 1 24 ALA MB 5.000 . 5.300 4.303 4.193 4.343 . 0 0 "[ . 1 . 2 .]" 1
797 2 23 LYS H 2 24 ALA MB 5.000 . 5.300 4.307 4.166 4.335 . 0 0 "[ . 1 . 2 .]" 1
798 1 23 LYS HA 1 24 ALA H 3.600 . 3.600 3.504 3.480 3.567 . 0 0 "[ . 1 . 2 .]" 1
799 2 23 LYS HA 2 24 ALA H 3.600 . 3.600 3.495 3.474 3.573 . 0 0 "[ . 1 . 2 .]" 1
800 1 23 LYS HB2 1 24 ALA MB 4.000 . 4.300 3.582 3.546 3.670 . 0 0 "[ . 1 . 2 .]" 1
801 2 23 LYS HB2 2 24 ALA MB 4.000 . 4.300 3.577 3.547 3.662 . 0 0 "[ . 1 . 2 .]" 1
802 1 23 LYS HB3 1 24 ALA MB 5.000 . 5.300 4.052 3.834 4.151 . 0 0 "[ . 1 . 2 .]" 1
803 2 23 LYS HB3 2 24 ALA MB 5.000 . 5.300 4.055 3.810 4.151 . 0 0 "[ . 1 . 2 .]" 1
804 1 23 LYS HB2 1 24 ALA H 4.000 . 4.000 2.135 2.079 2.254 . 0 0 "[ . 1 . 2 .]" 1
805 2 23 LYS HB2 2 24 ALA H 4.000 . 4.000 2.140 2.074 2.285 . 0 0 "[ . 1 . 2 .]" 1
806 1 23 LYS HB3 1 24 ALA H 2.800 . 2.800 2.938 2.814 2.979 0.179 14 0 "[ . 1 . 2 .]" 1
807 2 23 LYS HB3 2 24 ALA H 2.800 . 2.800 2.949 2.816 2.986 0.186 22 0 "[ . 1 . 2 .]" 1
808 1 23 LYS H 1 25 VAL H 5.000 . 5.000 4.358 4.151 4.456 . 0 0 "[ . 1 . 2 .]" 1
809 2 23 LYS H 2 25 VAL H 5.000 . 5.000 4.378 4.237 4.462 . 0 0 "[ . 1 . 2 .]" 1
810 1 23 LYS H 1 25 VAL HB 5.000 . 5.000 4.880 4.599 5.031 0.031 14 0 "[ . 1 . 2 .]" 1
811 2 23 LYS H 2 25 VAL HB 5.000 . 5.000 4.913 4.646 5.021 0.021 17 0 "[ . 1 . 2 .]" 1
812 1 23 LYS HA 1 26 ASP H 3.600 . 3.600 3.748 3.702 3.803 0.203 14 0 "[ . 1 . 2 .]" 1
813 2 23 LYS HA 2 26 ASP H 3.600 . 3.600 3.751 3.722 3.803 0.203 5 0 "[ . 1 . 2 .]" 1
814 1 23 LYS HA 1 26 ASP QB 5.000 . 6.000 2.928 2.554 3.154 . 0 0 "[ . 1 . 2 .]" 1
815 2 23 LYS HA 2 26 ASP QB 5.000 . 6.000 2.964 2.497 4.248 . 0 0 "[ . 1 . 2 .]" 1
816 1 23 LYS HA 1 27 ALA H 5.000 . 5.000 4.785 3.940 4.985 . 0 0 "[ . 1 . 2 .]" 1
817 2 23 LYS HA 2 27 ALA H 5.000 . 5.000 4.780 3.967 5.004 0.004 10 0 "[ . 1 . 2 .]" 1
818 1 23 LYS HB3 1 27 ALA MB 5.000 . 5.300 3.730 3.505 4.172 . 0 0 "[ . 1 . 2 .]" 1
819 2 23 LYS HB3 2 27 ALA MB 5.000 . 5.300 3.744 3.447 4.173 . 0 0 "[ . 1 . 2 .]" 1
820 1 24 ALA H 1 24 ALA MB 2.800 . 3.100 2.193 2.158 2.224 . 0 0 "[ . 1 . 2 .]" 1
821 2 24 ALA H 2 24 ALA MB 2.800 . 3.100 2.196 2.163 2.231 . 0 0 "[ . 1 . 2 .]" 1
822 1 24 ALA H 1 25 VAL H 2.800 . 2.800 2.920 2.809 2.970 0.170 14 0 "[ . 1 . 2 .]" 1
823 2 24 ALA H 2 25 VAL H 2.800 . 2.800 2.927 2.820 2.968 0.168 17 0 "[ . 1 . 2 .]" 1
824 1 24 ALA HA 1 25 VAL H 4.000 . 4.000 3.543 3.483 3.635 . 0 0 "[ . 1 . 2 .]" 1
825 2 24 ALA HA 2 25 VAL H 4.000 . 4.000 3.548 3.469 3.634 . 0 0 "[ . 1 . 2 .]" 1
826 1 24 ALA MB 1 25 VAL HB 5.000 . 5.300 4.348 4.313 4.393 . 0 0 "[ . 1 . 2 .]" 1
827 2 24 ALA MB 2 25 VAL HB 5.000 . 5.300 4.355 4.319 4.392 . 0 0 "[ . 1 . 2 .]" 1
828 1 24 ALA MB 1 25 VAL H 3.500 . 3.800 2.681 2.612 2.744 . 0 0 "[ . 1 . 2 .]" 1
829 2 24 ALA MB 2 25 VAL H 3.500 . 3.800 2.688 2.621 2.742 . 0 0 "[ . 1 . 2 .]" 1
830 1 24 ALA MB 1 25 VAL HA 5.000 . 5.300 4.316 4.274 4.373 . 0 0 "[ . 1 . 2 .]" 1
831 2 24 ALA MB 2 25 VAL HA 5.000 . 5.300 4.325 4.261 4.369 . 0 0 "[ . 1 . 2 .]" 1
832 1 24 ALA MB 1 26 ASP H 5.500 . 5.800 4.851 4.752 4.885 . 0 0 "[ . 1 . 2 .]" 1
833 2 24 ALA MB 2 26 ASP H 5.500 . 5.800 4.852 4.754 4.882 . 0 0 "[ . 1 . 2 .]" 1
834 1 24 ALA HA 1 26 ASP H 5.000 . 5.000 4.787 4.678 4.854 . 0 0 "[ . 1 . 2 .]" 1
835 2 24 ALA HA 2 26 ASP H 5.000 . 5.000 4.789 4.712 4.885 . 0 0 "[ . 1 . 2 .]" 1
836 1 24 ALA H 1 26 ASP H 5.000 . 5.000 4.482 4.268 4.564 . 0 0 "[ . 1 . 2 .]" 1
837 2 24 ALA H 2 26 ASP H 5.000 . 5.000 4.475 4.226 4.601 . 0 0 "[ . 1 . 2 .]" 1
838 1 24 ALA HA 1 27 ALA H 3.600 . 3.600 3.575 3.139 3.664 0.064 1 0 "[ . 1 . 2 .]" 1
839 2 24 ALA HA 2 27 ALA H 3.600 . 3.600 3.590 3.048 3.653 0.053 4 0 "[ . 1 . 2 .]" 1
840 1 24 ALA HA 1 27 ALA MB 3.500 . 3.800 1.950 1.923 2.002 . 0 0 "[ . 1 . 2 .]" 1
841 2 24 ALA HA 2 27 ALA MB 3.500 . 3.800 1.959 1.930 1.999 . 0 0 "[ . 1 . 2 .]" 1
842 1 24 ALA MB 1 27 ALA MB 4.000 . 4.600 3.272 3.244 3.325 . 0 0 "[ . 1 . 2 .]" 1
843 2 24 ALA MB 2 27 ALA MB 4.000 . 4.600 3.275 3.257 3.303 . 0 0 "[ . 1 . 2 .]" 1
844 1 24 ALA HA 1 28 VAL H 5.000 . 5.000 4.027 3.926 4.207 . 0 0 "[ . 1 . 2 .]" 1
845 2 24 ALA HA 2 28 VAL H 5.000 . 5.000 4.031 3.916 4.207 . 0 0 "[ . 1 . 2 .]" 1
846 1 24 ALA MB 2 10 VAL MG1 2.800 . 3.400 2.124 2.005 2.234 . 0 0 "[ . 1 . 2 .]" 1
847 1 10 VAL MG1 2 24 ALA MB 2.800 . 3.400 2.115 2.030 2.260 . 0 0 "[ . 1 . 2 .]" 1
848 1 24 ALA MB 2 16 LEU QD 2.800 . 3.400 2.232 2.052 2.303 . 0 0 "[ . 1 . 2 .]" 1
849 1 16 LEU MD2 2 24 ALA MB 2.800 . 3.400 2.293 2.226 3.052 . 0 0 "[ . 1 . 2 .]" 1
850 1 24 ALA HA 2 16 LEU QD 4.000 . 4.300 3.421 3.194 3.535 . 0 0 "[ . 1 . 2 .]" 1
851 1 16 LEU MD2 2 24 ALA HA 4.000 . 4.300 3.548 3.290 4.849 0.549 10 1 "[ . + . 2 .]" 1
852 1 25 VAL H 1 25 VAL MG2 2.800 . 3.100 2.508 2.467 2.538 . 0 0 "[ . 1 . 2 .]" 1
853 2 25 VAL H 2 25 VAL MG2 2.800 . 3.100 2.514 2.480 2.543 . 0 0 "[ . 1 . 2 .]" 1
854 1 25 VAL H 1 25 VAL MG1 4.000 . 4.300 3.600 3.555 3.638 . 0 0 "[ . 1 . 2 .]" 1
855 2 25 VAL H 2 25 VAL MG1 4.000 . 4.300 3.601 3.550 3.649 . 0 0 "[ . 1 . 2 .]" 1
856 1 25 VAL H 1 25 VAL HB 2.800 . 2.800 2.030 1.982 2.066 . 0 0 "[ . 1 . 2 .]" 1
857 2 25 VAL H 2 25 VAL HB 2.800 . 2.800 2.028 1.978 2.088 . 0 0 "[ . 1 . 2 .]" 1
858 1 25 VAL HA 1 25 VAL MG2 2.800 . 3.100 2.423 2.348 2.539 . 0 0 "[ . 1 . 2 .]" 1
859 2 25 VAL HA 2 25 VAL MG2 2.800 . 3.100 2.435 2.360 2.542 . 0 0 "[ . 1 . 2 .]" 1
860 1 25 VAL HA 1 25 VAL MG1 3.500 . 3.800 2.866 2.790 2.907 . 0 0 "[ . 1 . 2 .]" 1
861 2 25 VAL HA 2 25 VAL MG1 3.500 . 3.800 2.869 2.812 2.919 . 0 0 "[ . 1 . 2 .]" 1
862 1 25 VAL H 1 26 ASP H 2.800 . 2.800 2.836 2.783 2.879 0.079 16 0 "[ . 1 . 2 .]" 1
863 2 25 VAL H 2 26 ASP H 2.800 . 2.800 2.833 2.735 2.870 0.070 20 0 "[ . 1 . 2 .]" 1
864 1 25 VAL HA 1 26 ASP H 5.000 . 5.000 3.632 3.605 3.657 . 0 0 "[ . 1 . 2 .]" 1
865 2 25 VAL HA 2 26 ASP H 5.000 . 5.000 3.638 3.612 3.653 . 0 0 "[ . 1 . 2 .]" 1
866 1 25 VAL HB 1 26 ASP H 5.000 . 5.000 2.455 2.334 2.527 . 0 0 "[ . 1 . 2 .]" 1
867 2 25 VAL HB 2 26 ASP H 5.000 . 5.000 2.447 2.363 2.512 . 0 0 "[ . 1 . 2 .]" 1
868 1 25 VAL MG2 1 26 ASP H 5.000 . 5.300 3.945 3.890 3.988 . 0 0 "[ . 1 . 2 .]" 1
869 2 25 VAL MG2 2 26 ASP H 5.000 . 5.300 3.947 3.909 3.993 . 0 0 "[ . 1 . 2 .]" 1
870 1 25 VAL MG1 1 26 ASP H 2.800 . 3.100 2.432 2.404 2.470 . 0 0 "[ . 1 . 2 .]" 1
871 2 25 VAL MG1 2 26 ASP H 2.800 . 3.100 2.437 2.406 2.474 . 0 0 "[ . 1 . 2 .]" 1
872 1 25 VAL MG1 1 26 ASP HA 5.500 . 5.800 3.489 3.208 3.563 . 0 0 "[ . 1 . 2 .]" 1
873 2 25 VAL MG1 2 26 ASP HA 5.500 . 5.800 3.492 3.302 3.537 . 0 0 "[ . 1 . 2 .]" 1
874 1 25 VAL H 1 27 ALA H 5.000 . 5.000 3.881 3.743 4.028 . 0 0 "[ . 1 . 2 .]" 1
875 2 25 VAL H 2 27 ALA H 5.000 . 5.000 3.886 3.737 3.995 . 0 0 "[ . 1 . 2 .]" 1
876 1 25 VAL HA 1 27 ALA H 5.000 . 5.000 3.709 3.602 4.349 . 0 0 "[ . 1 . 2 .]" 1
877 2 25 VAL HA 2 27 ALA H 5.000 . 5.000 3.699 3.614 4.333 . 0 0 "[ . 1 . 2 .]" 1
878 1 25 VAL HA 1 28 VAL H 3.600 . 3.600 3.573 3.376 3.662 0.062 1 0 "[ . 1 . 2 .]" 1
879 2 25 VAL HA 2 28 VAL H 3.600 . 3.600 3.559 3.420 3.669 0.069 13 0 "[ . 1 . 2 .]" 1
880 1 25 VAL HA 1 28 VAL HB 5.000 . 5.000 3.304 3.182 3.544 . 0 0 "[ . 1 . 2 .]" 1
881 2 25 VAL HA 2 28 VAL HB 5.000 . 5.000 3.385 3.197 4.613 . 0 0 "[ . 1 . 2 .]" 1
882 1 25 VAL HA 1 28 VAL MG2 4.000 . 4.300 3.010 2.266 3.446 . 0 0 "[ . 1 . 2 .]" 1
883 2 25 VAL HA 2 28 VAL MG2 4.000 . 4.300 2.842 2.122 3.464 . 0 0 "[ . 1 . 2 .]" 1
884 1 25 VAL HA 1 28 VAL MG1 5.000 . 5.300 4.613 4.500 4.714 . 0 0 "[ . 1 . 2 .]" 1
885 2 25 VAL HA 2 28 VAL MG1 5.000 . 5.300 4.636 4.526 4.722 . 0 0 "[ . 1 . 2 .]" 1
886 1 25 VAL HA 1 29 PHE H 5.000 . 5.000 3.832 3.656 4.124 . 0 0 "[ . 1 . 2 .]" 1
887 2 25 VAL HA 2 29 PHE H 5.000 . 5.000 3.838 3.633 4.164 . 0 0 "[ . 1 . 2 .]" 1
888 1 25 VAL MG1 1 29 PHE HB3 5.500 . 5.800 4.777 4.726 4.868 . 0 0 "[ . 1 . 2 .]" 1
889 2 25 VAL MG1 2 29 PHE HB3 5.500 . 5.800 4.775 4.731 4.814 . 0 0 "[ . 1 . 2 .]" 1
890 1 25 VAL MG1 1 29 PHE QD 4.000 . 6.300 2.155 2.127 2.246 . 0 0 "[ . 1 . 2 .]" 1
891 2 25 VAL MG1 2 29 PHE QD 4.000 . 6.300 2.158 2.119 2.223 . 0 0 "[ . 1 . 2 .]" 1
892 1 25 VAL MG1 1 29 PHE QE 4.000 . 6.300 2.914 2.493 3.246 . 0 0 "[ . 1 . 2 .]" 1
893 2 25 VAL MG1 2 29 PHE QE 4.000 . 6.300 2.938 2.370 3.306 . 0 0 "[ . 1 . 2 .]" 1
894 1 26 ASP H 1 27 ALA H 2.800 . 2.800 2.828 2.806 2.849 0.049 2 0 "[ . 1 . 2 .]" 1
895 2 26 ASP H 2 27 ALA H 2.800 . 2.800 2.827 2.735 2.850 0.050 9 0 "[ . 1 . 2 .]" 1
896 1 26 ASP HA 1 27 ALA H 5.000 . 5.000 2.925 2.753 3.477 . 0 0 "[ . 1 . 2 .]" 1
897 2 26 ASP HA 2 27 ALA H 5.000 . 5.000 2.909 2.782 3.458 . 0 0 "[ . 1 . 2 .]" 1
898 1 26 ASP QB 1 27 ALA MB 5.500 . 6.800 4.340 4.136 4.514 . 0 0 "[ . 1 . 2 .]" 1
899 2 26 ASP QB 2 27 ALA MB 5.500 . 6.800 4.387 4.184 4.841 . 0 0 "[ . 1 . 2 .]" 1
900 1 26 ASP QB 1 27 ALA H 2.800 . 3.800 3.493 2.861 3.577 . 0 0 "[ . 1 . 2 .]" 1
901 2 26 ASP QB 2 27 ALA H 2.800 . 3.800 3.528 3.166 3.593 . 0 0 "[ . 1 . 2 .]" 1
902 1 26 ASP H 1 28 VAL H 5.000 . 5.000 4.679 4.444 4.799 . 0 0 "[ . 1 . 2 .]" 1
903 2 26 ASP H 2 28 VAL H 5.000 . 5.000 4.678 4.409 4.793 . 0 0 "[ . 1 . 2 .]" 1
904 1 26 ASP HA 1 29 PHE H 3.600 . 3.600 3.654 3.614 3.685 0.085 17 0 "[ . 1 . 2 .]" 1
905 2 26 ASP HA 2 29 PHE H 3.600 . 3.600 3.656 3.487 3.703 0.103 2 0 "[ . 1 . 2 .]" 1
906 1 26 ASP HA 1 30 ASP HB2 5.500 . 5.500 3.444 2.959 4.397 . 0 0 "[ . 1 . 2 .]" 1
907 2 26 ASP HA 2 30 ASP HB2 5.500 . 5.500 3.406 2.977 4.252 . 0 0 "[ . 1 . 2 .]" 1
908 1 27 ALA H 1 27 ALA MB 2.800 . 3.100 2.457 2.140 2.558 . 0 0 "[ . 1 . 2 .]" 1
909 2 27 ALA H 2 27 ALA MB 2.800 . 3.100 2.459 2.231 2.537 . 0 0 "[ . 1 . 2 .]" 1
910 1 27 ALA H 1 28 VAL H 2.800 . 2.800 2.260 2.127 2.798 . 0 0 "[ . 1 . 2 .]" 1
911 2 27 ALA H 2 28 VAL H 2.800 . 2.800 2.254 2.081 2.819 0.019 12 0 "[ . 1 . 2 .]" 1
912 1 27 ALA MB 1 28 VAL H 4.000 . 4.300 2.470 2.212 2.630 . 0 0 "[ . 1 . 2 .]" 1
913 2 27 ALA MB 2 28 VAL H 4.000 . 4.300 2.445 2.235 2.742 . 0 0 "[ . 1 . 2 .]" 1
914 1 27 ALA H 1 28 VAL HB 5.500 . 5.500 4.365 4.092 5.382 . 0 0 "[ . 1 . 2 .]" 1
915 2 27 ALA H 2 28 VAL HB 5.500 . 5.500 4.444 4.084 5.343 . 0 0 "[ . 1 . 2 .]" 1
916 1 27 ALA HA 1 28 VAL H 3.500 . 3.500 3.521 3.499 3.539 0.039 8 0 "[ . 1 . 2 .]" 1
917 2 27 ALA HA 2 28 VAL H 3.500 . 3.500 3.522 3.464 3.541 0.041 13 0 "[ . 1 . 2 .]" 1
918 1 27 ALA MB 1 28 VAL HA 5.000 . 5.300 4.169 3.993 4.276 . 0 0 "[ . 1 . 2 .]" 1
919 2 27 ALA MB 2 28 VAL HA 5.000 . 5.300 4.142 3.970 4.249 . 0 0 "[ . 1 . 2 .]" 1
920 1 27 ALA H 1 29 PHE H 5.000 . 5.000 3.543 3.280 4.441 . 0 0 "[ . 1 . 2 .]" 1
921 2 27 ALA H 2 29 PHE H 5.000 . 5.000 3.560 3.378 4.406 . 0 0 "[ . 1 . 2 .]" 1
922 1 27 ALA HA 1 30 ASP H 3.600 . 3.600 3.710 3.630 3.775 0.175 20 0 "[ . 1 . 2 .]" 1
923 2 27 ALA HA 2 30 ASP H 3.600 . 3.600 3.716 3.652 3.784 0.184 12 0 "[ . 1 . 2 .]" 1
924 1 27 ALA HA 1 30 ASP HB2 4.000 . 4.000 3.626 3.236 3.921 . 0 0 "[ . 1 . 2 .]" 1
925 2 27 ALA HA 2 30 ASP HB2 4.000 . 4.000 3.697 3.383 4.020 0.020 12 0 "[ . 1 . 2 .]" 1
926 1 27 ALA HA 1 30 ASP HB3 4.000 . 4.000 3.177 2.806 3.659 . 0 0 "[ . 1 . 2 .]" 1
927 2 27 ALA HA 2 30 ASP HB3 4.000 . 4.000 3.161 2.847 3.498 . 0 0 "[ . 1 . 2 .]" 1
928 1 27 ALA HA 1 31 SER H 5.000 . 5.000 4.221 3.720 4.549 . 0 0 "[ . 1 . 2 .]" 1
929 2 27 ALA HA 2 31 SER H 5.000 . 5.000 4.160 3.872 4.399 . 0 0 "[ . 1 . 2 .]" 1
930 1 27 ALA HA 2 10 VAL MG1 5.000 . 5.300 4.430 4.391 4.468 . 0 0 "[ . 1 . 2 .]" 1
931 1 10 VAL MG1 2 27 ALA HA 5.000 . 5.300 4.433 4.373 4.486 . 0 0 "[ . 1 . 2 .]" 1
932 1 28 VAL MG1 2 6 LEU HG 3.500 . 3.800 2.985 2.822 3.149 . 0 0 "[ . 1 . 2 .]" 1
933 1 6 LEU HG 2 28 VAL MG1 3.500 . 3.800 2.992 2.675 3.236 . 0 0 "[ . 1 . 2 .]" 1
934 1 28 VAL H 1 28 VAL HB 4.000 . 4.000 2.691 2.495 2.948 . 0 0 "[ . 1 . 2 .]" 1
935 2 28 VAL H 2 28 VAL HB 4.000 . 4.000 2.784 2.480 3.592 . 0 0 "[ . 1 . 2 .]" 1
936 1 28 VAL H 1 28 VAL MG2 2.790 . 3.090 2.247 2.144 2.312 . 0 0 "[ . 1 . 2 .]" 1
937 2 28 VAL H 2 28 VAL MG2 2.790 . 3.090 2.257 2.157 2.335 . 0 0 "[ . 1 . 2 .]" 1
938 1 28 VAL H 1 29 PHE H 2.800 . 2.800 2.582 2.430 2.734 . 0 0 "[ . 1 . 2 .]" 1
939 2 28 VAL H 2 29 PHE H 2.800 . 2.800 2.617 2.507 2.706 . 0 0 "[ . 1 . 2 .]" 1
940 1 28 VAL HB 1 29 PHE H 5.000 . 5.000 1.933 1.896 1.975 . 0 0 "[ . 1 . 2 .]" 1
941 2 28 VAL HB 2 29 PHE H 5.000 . 5.000 1.941 1.888 2.214 . 0 0 "[ . 1 . 2 .]" 1
942 1 28 VAL MG2 1 29 PHE H 3.500 . 3.800 3.340 3.181 3.459 . 0 0 "[ . 1 . 2 .]" 1
943 2 28 VAL MG2 2 29 PHE H 3.500 . 3.800 3.257 2.204 3.448 . 0 0 "[ . 1 . 2 .]" 1
944 1 28 VAL MG1 1 29 PHE H 3.500 . 3.800 3.096 2.843 3.280 . 0 0 "[ . 1 . 2 .]" 1
945 2 28 VAL MG1 2 29 PHE H 3.500 . 3.800 3.137 2.831 3.551 . 0 0 "[ . 1 . 2 .]" 1
946 1 28 VAL MG2 1 29 PHE QD 5.000 . 7.300 4.387 3.955 4.662 . 0 0 "[ . 1 . 2 .]" 1
947 2 28 VAL MG2 2 29 PHE QD 5.000 . 7.300 4.250 3.057 4.615 . 0 0 "[ . 1 . 2 .]" 1
948 1 28 VAL MG2 1 29 PHE QE 5.000 . 7.300 3.918 3.545 4.109 . 0 0 "[ . 1 . 2 .]" 1
949 2 28 VAL MG2 2 29 PHE QE 5.000 . 7.300 3.830 3.019 4.096 . 0 0 "[ . 1 . 2 .]" 1
950 1 28 VAL MG1 1 29 PHE QD 4.000 . 6.300 3.328 3.117 3.556 . 0 0 "[ . 1 . 2 .]" 1
951 2 28 VAL MG1 2 29 PHE QD 4.000 . 6.300 3.393 3.120 4.256 . 0 0 "[ . 1 . 2 .]" 1
952 1 28 VAL MG1 1 29 PHE QE 2.800 . 5.100 3.052 2.832 3.278 . 0 0 "[ . 1 . 2 .]" 1
953 2 28 VAL MG1 2 29 PHE QE 2.800 . 5.100 3.111 2.871 3.870 . 0 0 "[ . 1 . 2 .]" 1
954 1 28 VAL MG2 1 29 PHE HZ 5.000 . 5.300 4.224 4.022 4.272 . 0 0 "[ . 1 . 2 .]" 1
955 2 28 VAL MG2 2 29 PHE HZ 5.000 . 5.300 4.181 3.472 4.289 . 0 0 "[ . 1 . 2 .]" 1
956 1 28 VAL MG1 1 29 PHE HZ 5.000 . 5.300 3.407 2.992 3.805 . 0 0 "[ . 1 . 2 .]" 1
957 2 28 VAL MG1 2 29 PHE HZ 5.000 . 5.300 3.486 3.096 4.183 . 0 0 "[ . 1 . 2 .]" 1
958 1 28 VAL H 1 30 ASP H 5.000 . 5.000 3.870 3.704 4.041 . 0 0 "[ . 1 . 2 .]" 1
959 2 28 VAL H 2 30 ASP H 5.000 . 5.000 3.878 3.760 4.040 . 0 0 "[ . 1 . 2 .]" 1
960 1 28 VAL HA 1 31 SER H 5.000 . 5.000 4.201 3.914 4.378 . 0 0 "[ . 1 . 2 .]" 1
961 2 28 VAL HA 2 31 SER H 5.000 . 5.000 4.183 3.904 4.486 . 0 0 "[ . 1 . 2 .]" 1
962 1 28 VAL MG2 1 32 ILE MD 5.000 . 5.600 4.039 3.955 4.121 . 0 0 "[ . 1 . 2 .]" 1
963 2 28 VAL MG2 2 32 ILE MD 5.000 . 5.600 4.030 3.807 4.125 . 0 0 "[ . 1 . 2 .]" 1
964 1 28 VAL MG1 1 32 ILE MD 3.500 . 4.100 1.886 1.802 2.002 . 0 0 "[ . 1 . 2 .]" 1
965 2 28 VAL MG1 2 32 ILE MD 3.500 . 4.100 1.907 1.833 2.337 . 0 0 "[ . 1 . 2 .]" 1
966 1 29 PHE H 1 29 PHE QD 5.000 . 7.000 3.104 2.826 3.253 . 0 0 "[ . 1 . 2 .]" 1
967 2 29 PHE H 2 29 PHE QD 5.000 . 7.000 3.085 2.935 3.213 . 0 0 "[ . 1 . 2 .]" 1
968 1 29 PHE H 1 29 PHE QE 5.000 . 7.000 4.250 4.107 4.459 . 0 0 "[ . 1 . 2 .]" 1
969 2 29 PHE H 2 29 PHE QE 5.000 . 7.000 4.257 4.167 4.407 . 0 0 "[ . 1 . 2 .]" 1
970 1 29 PHE H 1 30 ASP H 2.800 . 2.800 2.878 2.822 2.936 0.136 14 0 "[ . 1 . 2 .]" 1
971 2 29 PHE H 2 30 ASP H 2.800 . 2.800 2.878 2.821 2.938 0.138 12 0 "[ . 1 . 2 .]" 1
972 1 29 PHE HB3 1 30 ASP H 5.000 . 5.000 4.332 4.222 4.539 . 0 0 "[ . 1 . 2 .]" 1
973 2 29 PHE HB3 2 30 ASP H 5.000 . 5.000 4.317 4.169 4.550 . 0 0 "[ . 1 . 2 .]" 1
974 1 29 PHE HA 1 30 ASP H 5.000 . 5.000 3.428 3.171 3.509 . 0 0 "[ . 1 . 2 .]" 1
975 2 29 PHE HA 2 30 ASP H 5.000 . 5.000 3.444 3.243 3.546 . 0 0 "[ . 1 . 2 .]" 1
976 1 29 PHE H 1 30 ASP HA 5.500 . 5.500 5.556 5.527 5.598 0.098 10 0 "[ . 1 . 2 .]" 1
977 2 29 PHE H 2 30 ASP HA 5.500 . 5.500 5.561 5.519 5.604 0.104 2 0 "[ . 1 . 2 .]" 1
978 1 29 PHE H 1 31 SER H 5.000 . 5.000 4.484 4.255 4.818 . 0 0 "[ . 1 . 2 .]" 1
979 2 29 PHE H 2 31 SER H 5.000 . 5.000 4.433 4.158 4.737 . 0 0 "[ . 1 . 2 .]" 1
980 1 29 PHE H 1 32 ILE MD 5.000 . 5.300 3.747 3.400 3.968 . 0 0 "[ . 1 . 2 .]" 1
981 2 29 PHE H 2 32 ILE MD 5.000 . 5.300 3.735 3.424 4.039 . 0 0 "[ . 1 . 2 .]" 1
982 1 29 PHE HA 1 32 ILE MD 4.000 . 4.300 2.460 2.088 3.088 . 0 0 "[ . 1 . 2 .]" 1
983 2 29 PHE HA 2 32 ILE MD 4.000 . 4.300 2.501 2.083 3.166 . 0 0 "[ . 1 . 2 .]" 1
984 1 29 PHE HA 1 32 ILE H 3.600 . 3.600 3.236 2.857 3.467 . 0 0 "[ . 1 . 2 .]" 1
985 2 29 PHE HA 2 32 ILE H 3.600 . 3.600 3.229 2.860 3.387 . 0 0 "[ . 1 . 2 .]" 1
986 1 29 PHE HA 1 33 THR H 5.000 . 5.000 3.730 3.556 3.941 . 0 0 "[ . 1 . 2 .]" 1
987 2 29 PHE HA 2 33 THR H 5.000 . 5.000 3.753 3.615 4.024 . 0 0 "[ . 1 . 2 .]" 1
988 1 29 PHE HZ 2 32 ILE MD 5.000 . 5.300 3.359 2.920 3.738 . 0 0 "[ . 1 . 2 .]" 1
989 1 32 ILE MD 2 29 PHE HZ 5.000 . 5.300 3.316 3.011 3.540 . 0 0 "[ . 1 . 2 .]" 1
990 1 29 PHE HZ 2 44 LEU QD 5.000 . 7.400 3.126 2.743 3.590 . 0 0 "[ . 1 . 2 .]" 1
991 1 44 LEU QD 2 29 PHE HZ 5.000 . 7.400 3.087 2.860 3.448 . 0 0 "[ . 1 . 2 .]" 1
992 1 29 PHE QE 2 44 LEU HG 5.000 . 7.000 5.135 4.766 5.908 . 0 0 "[ . 1 . 2 .]" 1
993 1 44 LEU HG 2 29 PHE QE 5.000 . 7.000 5.047 4.668 5.549 . 0 0 "[ . 1 . 2 .]" 1
994 1 29 PHE HA 2 47 PHE HZ 4.000 . 4.000 3.934 3.446 4.073 0.073 11 0 "[ . 1 . 2 .]" 1
995 1 47 PHE HZ 2 29 PHE HA 4.000 . 4.000 3.921 3.333 4.073 0.073 9 0 "[ . 1 . 2 .]" 1
996 1 29 PHE HZ 2 50 PHE HZ 5.000 . 5.000 4.615 3.899 5.032 0.032 11 0 "[ . 1 . 2 .]" 1
997 1 50 PHE HZ 2 29 PHE HZ 5.000 . 5.000 4.514 3.973 5.007 0.007 10 0 "[ . 1 . 2 .]" 1
998 1 30 ASP H 1 30 ASP HB2 3.500 . 3.500 2.539 2.397 2.819 . 0 0 "[ . 1 . 2 .]" 1
999 2 30 ASP H 2 30 ASP HB2 3.500 . 3.500 2.547 2.427 2.785 . 0 0 "[ . 1 . 2 .]" 1
1000 1 30 ASP H 1 30 ASP HB3 2.800 . 2.800 2.794 2.678 2.813 0.013 16 0 "[ . 1 . 2 .]" 1
1001 2 30 ASP H 2 30 ASP HB3 2.800 . 2.800 2.777 2.688 2.812 0.012 12 0 "[ . 1 . 2 .]" 1
1002 1 30 ASP H 1 31 SER H 4.000 . 4.000 2.350 2.220 2.519 . 0 0 "[ . 1 . 2 .]" 1
1003 2 30 ASP H 2 31 SER H 4.000 . 4.000 2.317 2.201 2.450 . 0 0 "[ . 1 . 2 .]" 1
1004 1 30 ASP HA 1 31 SER H 4.000 . 4.000 3.450 3.394 3.520 . 0 0 "[ . 1 . 2 .]" 1
1005 2 30 ASP HA 2 31 SER H 4.000 . 4.000 3.439 3.370 3.511 . 0 0 "[ . 1 . 2 .]" 1
1006 1 30 ASP HB2 1 31 SER H 3.500 . 3.500 3.647 3.609 3.703 0.203 10 0 "[ . 1 . 2 .]" 1
1007 2 30 ASP HB2 2 31 SER H 3.500 . 3.500 3.648 3.603 3.687 0.187 5 0 "[ . 1 . 2 .]" 1
1008 1 30 ASP HB3 1 31 SER H 4.000 . 4.000 2.637 2.456 2.801 . 0 0 "[ . 1 . 2 .]" 1
1009 2 30 ASP HB3 2 31 SER H 4.000 . 4.000 2.641 2.402 2.876 . 0 0 "[ . 1 . 2 .]" 1
1010 1 30 ASP H 1 32 ILE H 5.000 . 5.000 3.939 3.565 4.072 . 0 0 "[ . 1 . 2 .]" 1
1011 2 30 ASP H 2 32 ILE H 5.000 . 5.000 3.943 3.655 4.122 . 0 0 "[ . 1 . 2 .]" 1
1012 1 30 ASP HA 1 33 THR H 3.600 . 3.600 3.698 3.605 3.748 0.148 6 0 "[ . 1 . 2 .]" 1
1013 2 30 ASP HA 2 33 THR H 3.600 . 3.600 3.693 3.584 3.738 0.138 2 0 "[ . 1 . 2 .]" 1
1014 1 30 ASP HA 1 34 GLU H 5.000 . 5.000 4.356 4.137 4.764 . 0 0 "[ . 1 . 2 .]" 1
1015 2 30 ASP HA 2 34 GLU H 5.000 . 5.000 4.454 4.181 4.857 . 0 0 "[ . 1 . 2 .]" 1
1016 1 31 SER H 1 32 ILE H 4.000 . 4.000 2.771 2.541 2.935 . 0 0 "[ . 1 . 2 .]" 1
1017 2 31 SER H 2 32 ILE H 4.000 . 4.000 2.781 2.585 2.928 . 0 0 "[ . 1 . 2 .]" 1
1018 1 31 SER HA 1 32 ILE H 4.000 . 4.000 3.704 3.597 3.744 . 0 0 "[ . 1 . 2 .]" 1
1019 2 31 SER HA 2 32 ILE H 4.000 . 4.000 3.699 3.587 3.733 . 0 0 "[ . 1 . 2 .]" 1
1020 1 31 SER H 1 32 ILE HB 5.000 . 5.000 5.076 5.036 5.162 0.162 10 0 "[ . 1 . 2 .]" 1
1021 2 31 SER H 2 32 ILE HB 5.000 . 5.000 5.081 5.025 5.148 0.148 18 0 "[ . 1 . 2 .]" 1
1022 1 31 SER HB3 1 32 ILE H 4.000 . 4.000 4.010 3.955 4.066 0.066 7 0 "[ . 1 . 2 .]" 1
1023 2 31 SER HB2 2 32 ILE H 4.000 . 4.000 3.121 2.971 3.496 . 0 0 "[ . 1 . 2 .]" 1
1024 1 31 SER H 1 33 THR H 5.000 . 5.000 4.332 3.848 4.612 . 0 0 "[ . 1 . 2 .]" 1
1025 2 31 SER H 2 33 THR H 5.000 . 5.000 4.326 3.830 4.597 . 0 0 "[ . 1 . 2 .]" 1
1026 1 31 SER HA 1 34 GLU H 3.600 . 3.600 3.411 3.034 3.610 0.010 6 0 "[ . 1 . 2 .]" 1
1027 2 31 SER HA 2 34 GLU H 3.600 . 3.600 3.493 3.250 3.631 0.031 20 0 "[ . 1 . 2 .]" 1
1028 1 31 SER HA 1 34 GLU QB 3.500 . 4.500 2.414 2.249 2.547 . 0 0 "[ . 1 . 2 .]" 1
1029 2 31 SER HA 2 34 GLU QB 3.500 . 4.500 2.620 2.409 2.965 . 0 0 "[ . 1 . 2 .]" 1
1030 1 31 SER HA 1 35 ALA H 5.000 . 5.000 4.053 3.814 4.288 . 0 0 "[ . 1 . 2 .]" 1
1031 2 31 SER HA 2 35 ALA H 5.000 . 5.000 4.247 3.978 4.527 . 0 0 "[ . 1 . 2 .]" 1
1032 1 31 SER HB2 1 35 ALA H 5.500 . 5.500 5.596 5.571 5.662 0.162 5 0 "[ . 1 . 2 .]" 1
1033 2 31 SER HB3 2 35 ALA H 5.500 . 5.500 5.272 5.081 5.503 0.003 7 0 "[ . 1 . 2 .]" 1
1034 1 32 ILE HA 1 32 ILE MD 4.000 . 4.300 3.692 3.455 3.832 . 0 0 "[ . 1 . 2 .]" 1
1035 2 32 ILE HA 2 32 ILE MD 4.000 . 4.300 3.672 3.401 3.824 . 0 0 "[ . 1 . 2 .]" 1
1036 1 32 ILE HA 1 32 ILE MG 3.500 . 3.800 2.229 2.145 2.299 . 0 0 "[ . 1 . 2 .]" 1
1037 2 32 ILE HA 2 32 ILE MG 3.500 . 3.800 2.258 2.218 2.326 . 0 0 "[ . 1 . 2 .]" 1
1038 1 32 ILE H 1 32 ILE HB 3.500 . 3.500 2.677 2.474 2.995 . 0 0 "[ . 1 . 2 .]" 1
1039 2 32 ILE H 2 32 ILE HB 3.500 . 3.500 2.678 2.400 3.006 . 0 0 "[ . 1 . 2 .]" 1
1040 1 32 ILE HB 1 32 ILE MD 3.500 . 3.800 2.778 2.409 3.305 . 0 0 "[ . 1 . 2 .]" 1
1041 2 32 ILE HB 2 32 ILE MD 3.500 . 3.800 2.799 2.487 3.302 . 0 0 "[ . 1 . 2 .]" 1
1042 1 32 ILE H 1 32 ILE MD 3.500 . 3.800 3.218 2.744 3.426 . 0 0 "[ . 1 . 2 .]" 1
1043 2 32 ILE H 2 32 ILE MD 3.500 . 3.800 3.218 2.767 3.477 . 0 0 "[ . 1 . 2 .]" 1
1044 1 32 ILE H 1 32 ILE MG 4.000 . 4.300 3.763 3.697 3.839 . 0 0 "[ . 1 . 2 .]" 1
1045 2 32 ILE H 2 32 ILE MG 4.000 . 4.300 3.754 3.708 3.824 . 0 0 "[ . 1 . 2 .]" 1
1046 1 32 ILE H 1 33 THR H 2.800 . 2.800 2.782 2.476 2.870 0.070 20 0 "[ . 1 . 2 .]" 1
1047 2 32 ILE H 2 33 THR H 2.800 . 2.800 2.774 2.384 2.858 0.058 17 0 "[ . 1 . 2 .]" 1
1048 1 32 ILE HA 1 33 THR H 4.000 . 4.000 3.585 3.532 3.674 . 0 0 "[ . 1 . 2 .]" 1
1049 2 32 ILE HA 2 33 THR H 4.000 . 4.000 3.585 3.541 3.671 . 0 0 "[ . 1 . 2 .]" 1
1050 1 32 ILE MD 1 33 THR H 5.000 . 5.300 4.514 4.364 4.643 . 0 0 "[ . 1 . 2 .]" 1
1051 2 32 ILE MD 2 33 THR H 5.000 . 5.300 4.524 4.363 4.617 . 0 0 "[ . 1 . 2 .]" 1
1052 1 32 ILE HB 1 33 THR H 2.800 . 2.800 2.372 2.247 2.483 . 0 0 "[ . 1 . 2 .]" 1
1053 2 32 ILE HB 2 33 THR H 2.800 . 2.800 2.359 2.280 2.528 . 0 0 "[ . 1 . 2 .]" 1
1054 1 32 ILE QG 1 33 THR MG 5.000 . 6.300 4.554 4.478 4.687 . 0 0 "[ . 1 . 2 .]" 1
1055 2 32 ILE QG 2 33 THR MG 5.000 . 6.300 4.541 4.445 4.653 . 0 0 "[ . 1 . 2 .]" 1
1056 1 32 ILE H 1 34 GLU H 5.000 . 5.000 4.043 3.781 4.159 . 0 0 "[ . 1 . 2 .]" 1
1057 2 32 ILE H 2 34 GLU H 5.000 . 5.000 4.114 3.864 4.237 . 0 0 "[ . 1 . 2 .]" 1
1058 1 32 ILE HA 1 34 GLU H 5.000 . 5.000 4.261 4.000 4.474 . 0 0 "[ . 1 . 2 .]" 1
1059 2 32 ILE HA 2 34 GLU H 5.000 . 5.000 4.266 4.050 4.393 . 0 0 "[ . 1 . 2 .]" 1
1060 1 32 ILE H 1 34 GLU QB 5.000 . 6.000 4.981 4.832 5.176 . 0 0 "[ . 1 . 2 .]" 1
1061 2 32 ILE H 2 34 GLU QB 5.000 . 6.000 5.092 4.881 5.375 . 0 0 "[ . 1 . 2 .]" 1
1062 1 32 ILE HA 1 35 ALA H 3.600 . 3.600 3.185 3.011 3.350 . 0 0 "[ . 1 . 2 .]" 1
1063 2 32 ILE HA 2 35 ALA H 3.600 . 3.600 3.276 3.149 3.553 . 0 0 "[ . 1 . 2 .]" 1
1064 1 32 ILE HA 1 35 ALA MB 4.000 . 4.300 2.415 2.252 2.560 . 0 0 "[ . 1 . 2 .]" 1
1065 2 32 ILE HA 2 35 ALA MB 4.000 . 4.300 2.493 2.311 2.643 . 0 0 "[ . 1 . 2 .]" 1
1066 1 32 ILE MG 1 35 ALA MB 4.000 . 4.600 2.963 2.793 3.137 . 0 0 "[ . 1 . 2 .]" 1
1067 2 32 ILE MG 2 35 ALA MB 4.000 . 4.600 2.989 2.865 3.101 . 0 0 "[ . 1 . 2 .]" 1
1068 1 32 ILE HA 1 36 LEU H 4.000 . 4.000 3.864 3.660 4.001 0.001 4 0 "[ . 1 . 2 .]" 1
1069 2 32 ILE HA 2 36 LEU H 4.000 . 4.000 3.932 3.853 4.059 0.059 7 0 "[ . 1 . 2 .]" 1
1070 1 32 ILE HA 1 36 LEU MD2 5.000 . 5.300 3.887 2.852 4.500 . 0 0 "[ . 1 . 2 .]" 1
1071 2 32 ILE HA 2 36 LEU MD2 5.000 . 5.300 4.114 3.318 4.370 . 0 0 "[ . 1 . 2 .]" 1
1072 1 32 ILE MG 1 36 LEU H 5.000 . 5.300 3.463 3.088 3.700 . 0 0 "[ . 1 . 2 .]" 1
1073 2 32 ILE MG 2 36 LEU H 5.000 . 5.300 3.452 3.099 3.729 . 0 0 "[ . 1 . 2 .]" 1
1074 1 32 ILE MG 1 36 LEU HG 3.500 . 3.800 2.528 2.073 3.339 . 0 0 "[ . 1 . 2 .]" 1
1075 2 32 ILE MG 2 36 LEU HG 3.500 . 3.800 2.298 2.002 3.330 . 0 0 "[ . 1 . 2 .]" 1
1076 1 32 ILE MG 1 36 LEU MD1 5.000 . 5.600 2.453 1.965 3.054 . 0 0 "[ . 1 . 2 .]" 1
1077 2 32 ILE MG 2 36 LEU MD1 5.000 . 5.600 2.206 1.852 3.036 . 0 0 "[ . 1 . 2 .]" 1
1078 1 32 ILE MG 1 36 LEU MD2 4.000 . 4.600 2.311 1.823 3.119 . 0 0 "[ . 1 . 2 .]" 1
1079 2 32 ILE MG 2 36 LEU MD2 4.000 . 4.600 2.627 1.890 3.078 . 0 0 "[ . 1 . 2 .]" 1
1080 1 32 ILE HA 1 42 VAL MG2 3.500 . 3.800 2.199 1.954 2.502 . 0 0 "[ . 1 . 2 .]" 1
1081 2 32 ILE HA 2 42 VAL MG2 3.500 . 3.800 2.165 1.972 2.391 . 0 0 "[ . 1 . 2 .]" 1
1082 1 32 ILE HA 1 42 VAL MG1 4.000 . 4.300 3.038 2.706 3.232 . 0 0 "[ . 1 . 2 .]" 1
1083 2 32 ILE HA 2 42 VAL MG1 4.000 . 4.300 2.964 2.586 3.145 . 0 0 "[ . 1 . 2 .]" 1
1084 1 32 ILE HB 1 42 VAL MG2 5.000 . 5.300 4.182 3.916 4.313 . 0 0 "[ . 1 . 2 .]" 1
1085 2 32 ILE HB 2 42 VAL MG2 5.000 . 5.300 4.159 3.917 4.266 . 0 0 "[ . 1 . 2 .]" 1
1086 1 32 ILE QG 1 42 VAL MG2 4.000 . 5.300 3.173 2.487 4.092 . 0 0 "[ . 1 . 2 .]" 1
1087 2 32 ILE QG 2 42 VAL MG2 4.000 . 5.300 3.234 2.411 4.083 . 0 0 "[ . 1 . 2 .]" 1
1088 1 32 ILE MG 1 42 VAL MG2 4.000 . 4.600 1.889 1.766 1.972 0.034 10 0 "[ . 1 . 2 .]" 1
1089 2 32 ILE MG 2 42 VAL MG2 4.000 . 4.600 1.888 1.760 2.020 0.040 8 0 "[ . 1 . 2 .]" 1
1090 1 32 ILE MG 1 42 VAL MG1 5.000 . 5.600 2.315 1.953 3.170 . 0 0 "[ . 1 . 2 .]" 1
1091 2 32 ILE MG 2 42 VAL MG1 5.000 . 5.600 2.267 1.944 3.197 . 0 0 "[ . 1 . 2 .]" 1
1092 1 32 ILE MD 1 42 VAL MG2 5.000 . 5.600 3.713 3.372 3.850 . 0 0 "[ . 1 . 2 .]" 1
1093 2 32 ILE MD 2 42 VAL MG2 5.000 . 5.600 3.726 3.530 3.887 . 0 0 "[ . 1 . 2 .]" 1
1094 1 32 ILE MD 1 42 VAL MG1 3.500 . 4.100 2.616 2.302 2.780 . 0 0 "[ . 1 . 2 .]" 1
1095 2 32 ILE MD 2 42 VAL MG1 3.500 . 4.100 2.585 2.391 2.777 . 0 0 "[ . 1 . 2 .]" 1
1096 1 32 ILE QG 1 44 LEU QD 5.500 . 8.900 4.367 3.692 5.054 . 0 0 "[ . 1 . 2 .]" 1
1097 2 32 ILE QG 2 44 LEU QD 5.500 . 8.900 4.318 3.634 5.115 . 0 0 "[ . 1 . 2 .]" 1
1098 1 32 ILE MG 1 50 PHE HB2 5.000 . 5.300 3.010 2.608 3.425 . 0 0 "[ . 1 . 2 .]" 1
1099 2 32 ILE MG 2 50 PHE QB 5.000 . 5.300 2.803 2.173 3.811 . 0 0 "[ . 1 . 2 .]" 1
1100 1 32 ILE MD 1 50 PHE HZ 3.500 . 3.800 3.096 2.955 3.238 . 0 0 "[ . 1 . 2 .]" 1
1101 2 32 ILE MD 2 50 PHE HZ 3.500 . 3.800 3.120 2.925 3.256 . 0 0 "[ . 1 . 2 .]" 1
1102 1 32 ILE MG 1 50 PHE QD 2.800 . 5.100 2.865 2.660 3.149 . 0 0 "[ . 1 . 2 .]" 1
1103 2 32 ILE MG 2 50 PHE QD 2.800 . 5.100 2.832 2.132 3.234 . 0 0 "[ . 1 . 2 .]" 1
1104 1 32 ILE MG 2 47 PHE HZ 2.800 . 3.100 2.286 2.135 2.417 . 0 0 "[ . 1 . 2 .]" 1
1105 1 47 PHE HZ 2 32 ILE MG 2.800 . 3.100 2.292 2.158 2.452 . 0 0 "[ . 1 . 2 .]" 1
1106 1 32 ILE MG 2 47 PHE QE 2.800 . 5.100 3.205 2.669 3.450 . 0 0 "[ . 1 . 2 .]" 1
1107 1 47 PHE QE 2 32 ILE MG 2.800 . 5.100 3.244 2.759 3.466 . 0 0 "[ . 1 . 2 .]" 1
1108 1 32 ILE MD 2 47 PHE HZ 5.000 . 5.300 3.734 3.241 4.254 . 0 0 "[ . 1 . 2 .]" 1
1109 1 47 PHE HZ 2 32 ILE MD 5.000 . 5.300 3.703 3.169 4.174 . 0 0 "[ . 1 . 2 .]" 1
1110 1 33 THR H 1 34 GLU H 2.800 . 2.800 2.774 2.642 2.857 0.057 11 0 "[ . 1 . 2 .]" 1
1111 2 33 THR H 2 34 GLU H 2.800 . 2.800 2.810 2.744 2.860 0.060 7 0 "[ . 1 . 2 .]" 1
1112 1 33 THR HA 1 34 GLU H 5.000 . 5.000 3.479 3.318 3.548 . 0 0 "[ . 1 . 2 .]" 1
1113 2 33 THR HA 2 34 GLU H 5.000 . 5.000 3.469 3.310 3.541 . 0 0 "[ . 1 . 2 .]" 1
1114 1 33 THR H 1 34 GLU QB 5.000 . 6.000 4.760 4.574 4.978 . 0 0 "[ . 1 . 2 .]" 1
1115 2 33 THR H 2 34 GLU QB 5.000 . 6.000 4.790 4.645 4.891 . 0 0 "[ . 1 . 2 .]" 1
1116 1 33 THR MG 1 34 GLU H 5.000 . 5.300 2.961 2.453 4.225 . 0 0 "[ . 1 . 2 .]" 1
1117 2 33 THR MG 2 34 GLU H 5.000 . 5.300 2.966 2.443 4.270 . 0 0 "[ . 1 . 2 .]" 1
1118 1 33 THR H 1 35 ALA H 5.000 . 5.000 4.089 3.880 4.215 . 0 0 "[ . 1 . 2 .]" 1
1119 2 33 THR H 2 35 ALA H 5.000 . 5.000 4.116 3.945 4.400 . 0 0 "[ . 1 . 2 .]" 1
1120 1 33 THR HA 1 36 LEU H 3.600 . 3.600 3.332 3.138 3.520 . 0 0 "[ . 1 . 2 .]" 1
1121 2 33 THR HA 2 36 LEU H 3.600 . 3.600 3.294 2.956 3.649 0.049 8 0 "[ . 1 . 2 .]" 1
1122 1 33 THR HB 1 36 LEU H 5.500 . 5.500 5.591 5.506 5.684 0.184 16 0 "[ . 1 . 2 .]" 1
1123 2 33 THR HB 2 36 LEU H 5.500 . 5.500 5.579 5.289 5.690 0.190 1 0 "[ . 1 . 2 .]" 1
1124 1 33 THR HA 1 36 LEU HB3 5.000 . 5.000 4.463 4.172 4.857 . 0 0 "[ . 1 . 2 .]" 1
1125 2 33 THR HA 2 36 LEU HB3 5.000 . 5.000 4.452 4.154 4.870 . 0 0 "[ . 1 . 2 .]" 1
1126 1 33 THR HA 1 36 LEU MD1 5.000 . 5.300 4.101 3.103 5.297 . 0 0 "[ . 1 . 2 .]" 1
1127 2 33 THR HA 2 36 LEU MD1 5.000 . 5.300 3.759 3.016 5.174 . 0 0 "[ . 1 . 2 .]" 1
1128 1 33 THR MG 1 37 ARG QD 5.000 . 6.300 4.380 3.778 4.619 . 0 0 "[ . 1 . 2 .]" 1
1129 2 33 THR MG 2 37 ARG QD 5.000 . 6.300 4.393 3.817 4.629 . 0 0 "[ . 1 . 2 .]" 1
1130 1 34 GLU H 1 34 GLU QB 2.800 . 3.800 2.435 2.312 2.576 . 0 0 "[ . 1 . 2 .]" 1
1131 2 34 GLU H 2 34 GLU QB 2.800 . 3.800 2.434 2.331 2.577 . 0 0 "[ . 1 . 2 .]" 1
1132 1 34 GLU H 1 34 GLU QG 4.000 . 5.000 3.615 2.739 4.246 . 0 0 "[ . 1 . 2 .]" 1
1133 2 34 GLU H 2 34 GLU QG 4.000 . 5.000 3.604 2.692 4.340 . 0 0 "[ . 1 . 2 .]" 1
1134 1 34 GLU H 1 35 ALA H 2.800 . 2.800 2.497 2.177 2.627 . 0 0 "[ . 1 . 2 .]" 1
1135 2 34 GLU H 2 35 ALA H 2.800 . 2.800 2.461 2.132 2.640 . 0 0 "[ . 1 . 2 .]" 1
1136 1 34 GLU QB 1 35 ALA H 3.500 . 4.500 2.941 2.781 3.177 . 0 0 "[ . 1 . 2 .]" 1
1137 2 34 GLU QB 2 35 ALA H 3.500 . 4.500 2.981 2.840 3.258 . 0 0 "[ . 1 . 2 .]" 1
1138 1 34 GLU HA 1 35 ALA H 5.000 . 5.000 3.607 3.545 3.670 . 0 0 "[ . 1 . 2 .]" 1
1139 2 34 GLU HA 2 35 ALA H 5.000 . 5.000 3.553 3.478 3.617 . 0 0 "[ . 1 . 2 .]" 1
1140 1 34 GLU QG 1 35 ALA H 5.000 . 6.000 4.304 3.868 4.937 . 0 0 "[ . 1 . 2 .]" 1
1141 2 34 GLU QG 2 35 ALA H 5.000 . 6.000 4.353 3.852 4.854 . 0 0 "[ . 1 . 2 .]" 1
1142 1 34 GLU H 1 36 LEU HB2 5.500 . 5.500 5.528 5.434 5.605 0.105 2 0 "[ . 1 . 2 .]" 1
1143 2 34 GLU H 2 36 LEU HB2 5.500 . 5.500 5.526 5.402 5.605 0.105 10 0 "[ . 1 . 2 .]" 1
1144 1 34 GLU HA 1 36 LEU H 5.000 . 5.000 4.844 4.683 5.030 0.030 5 0 "[ . 1 . 2 .]" 1
1145 2 34 GLU HA 2 36 LEU H 5.000 . 5.000 4.838 4.678 5.030 0.030 4 0 "[ . 1 . 2 .]" 1
1146 1 34 GLU H 1 37 ARG H 5.000 . 5.000 4.630 4.451 4.707 . 0 0 "[ . 1 . 2 .]" 1
1147 2 34 GLU H 2 37 ARG H 5.000 . 5.000 4.640 4.484 4.727 . 0 0 "[ . 1 . 2 .]" 1
1148 1 34 GLU HA 1 37 ARG H 3.600 . 3.600 3.689 3.648 3.772 0.172 5 0 "[ . 1 . 2 .]" 1
1149 2 34 GLU HA 2 37 ARG H 3.600 . 3.600 3.695 3.642 3.777 0.177 4 0 "[ . 1 . 2 .]" 1
1150 1 34 GLU HA 1 37 ARG QG 5.000 . 6.000 3.084 2.063 5.196 . 0 0 "[ . 1 . 2 .]" 1
1151 2 34 GLU HA 2 37 ARG QG 5.000 . 6.000 3.205 2.067 5.067 . 0 0 "[ . 1 . 2 .]" 1
1152 1 34 GLU HA 1 37 ARG QD 4.000 . 5.000 3.154 2.358 4.359 . 0 0 "[ . 1 . 2 .]" 1
1153 2 34 GLU HA 2 37 ARG QD 4.000 . 5.000 3.235 2.339 4.115 . 0 0 "[ . 1 . 2 .]" 1
1154 1 34 GLU HA 1 38 LYS H 4.000 . 4.000 3.990 3.700 4.070 0.070 19 0 "[ . 1 . 2 .]" 1
1155 2 34 GLU HA 2 38 LYS H 4.000 . 4.000 3.980 3.704 4.080 0.080 13 0 "[ . 1 . 2 .]" 1
1156 1 35 ALA H 1 35 ALA MB 2.800 . 3.100 2.393 2.318 2.451 . 0 0 "[ . 1 . 2 .]" 1
1157 2 35 ALA H 2 35 ALA MB 2.800 . 3.100 2.406 2.202 2.477 . 0 0 "[ . 1 . 2 .]" 1
1158 1 35 ALA H 1 36 LEU H 2.800 . 2.800 2.852 2.806 2.932 0.132 2 0 "[ . 1 . 2 .]" 1
1159 2 35 ALA H 2 36 LEU H 2.800 . 2.800 2.811 2.742 2.865 0.065 10 0 "[ . 1 . 2 .]" 1
1160 1 35 ALA MB 1 36 LEU HB2 5.500 . 5.800 4.419 4.246 4.550 . 0 0 "[ . 1 . 2 .]" 1
1161 2 35 ALA MB 2 36 LEU HB2 5.500 . 5.800 4.415 4.224 4.546 . 0 0 "[ . 1 . 2 .]" 1
1162 1 35 ALA MB 1 36 LEU H 2.800 . 3.100 2.305 2.187 2.365 . 0 0 "[ . 1 . 2 .]" 1
1163 2 35 ALA MB 2 36 LEU H 2.800 . 3.100 2.282 2.111 2.343 . 0 0 "[ . 1 . 2 .]" 1
1164 1 35 ALA HA 1 36 LEU H 5.000 . 5.000 3.625 3.549 3.698 . 0 0 "[ . 1 . 2 .]" 1
1165 2 35 ALA HA 2 36 LEU H 5.000 . 5.000 3.637 3.542 3.727 . 0 0 "[ . 1 . 2 .]" 1
1166 1 35 ALA H 1 36 LEU HA 5.500 . 5.500 5.523 5.471 5.552 0.052 9 0 "[ . 1 . 2 .]" 1
1167 2 35 ALA H 2 36 LEU HA 5.500 . 5.500 5.474 5.371 5.528 0.028 20 0 "[ . 1 . 2 .]" 1
1168 1 35 ALA H 1 37 ARG H 5.000 . 5.000 4.242 4.075 4.462 . 0 0 "[ . 1 . 2 .]" 1
1169 2 35 ALA H 2 37 ARG H 5.000 . 5.000 4.188 3.974 4.410 . 0 0 "[ . 1 . 2 .]" 1
1170 1 35 ALA HA 1 38 LYS H 3.600 . 3.600 3.762 3.723 3.838 0.238 5 0 "[ . 1 . 2 .]" 1
1171 2 35 ALA HA 2 38 LYS H 3.600 . 3.600 3.766 3.715 3.846 0.246 7 0 "[ . 1 . 2 .]" 1
1172 1 35 ALA HA 1 38 LYS QE 5.000 . 6.000 4.390 3.418 5.362 . 0 0 "[ . 1 . 2 .]" 1
1173 2 35 ALA HA 2 38 LYS QE 5.000 . 6.000 4.277 3.484 5.396 . 0 0 "[ . 1 . 2 .]" 1
1174 1 35 ALA HA 1 38 LYS QB 4.000 . 5.000 3.362 2.840 3.682 . 0 0 "[ . 1 . 2 .]" 1
1175 2 35 ALA HA 2 38 LYS QB 4.000 . 5.000 3.369 3.128 4.091 . 0 0 "[ . 1 . 2 .]" 1
1176 1 35 ALA H 1 38 LYS H 5.000 . 5.000 4.812 4.714 4.931 . 0 0 "[ . 1 . 2 .]" 1
1177 2 35 ALA H 2 38 LYS H 5.000 . 5.000 4.759 4.615 4.850 . 0 0 "[ . 1 . 2 .]" 1
1178 1 35 ALA HA 1 40 ASP H 5.000 . 5.000 3.587 3.173 3.816 . 0 0 "[ . 1 . 2 .]" 1
1179 2 35 ALA HA 2 40 ASP H 5.000 . 5.000 3.594 3.014 4.122 . 0 0 "[ . 1 . 2 .]" 1
1180 1 35 ALA MB 1 40 ASP HA 5.000 . 5.300 4.392 4.331 4.477 . 0 0 "[ . 1 . 2 .]" 1
1181 2 35 ALA MB 2 40 ASP HA 5.000 . 5.300 4.322 2.676 4.446 . 0 0 "[ . 1 . 2 .]" 1
1182 1 35 ALA MB 1 40 ASP H 5.000 . 5.300 3.914 3.703 4.262 . 0 0 "[ . 1 . 2 .]" 1
1183 2 35 ALA MB 2 40 ASP H 5.000 . 5.300 3.930 3.700 4.285 . 0 0 "[ . 1 . 2 .]" 1
1184 1 35 ALA MB 1 40 ASP QB 5.000 . 6.300 2.505 2.189 3.027 . 0 0 "[ . 1 . 2 .]" 1
1185 2 35 ALA MB 2 40 ASP QB 5.000 . 6.300 2.567 2.257 3.507 . 0 0 "[ . 1 . 2 .]" 1
1186 1 35 ALA HA 1 40 ASP QB 3.500 . 4.500 2.027 1.952 2.104 . 0 0 "[ . 1 . 2 .]" 1
1187 2 35 ALA HA 2 40 ASP QB 3.500 . 4.500 2.114 1.977 4.334 . 0 0 "[ . 1 . 2 .]" 1
1188 1 35 ALA MB 1 42 VAL H 5.000 . 5.300 3.446 2.981 3.948 . 0 0 "[ . 1 . 2 .]" 1
1189 2 35 ALA MB 2 42 VAL H 5.000 . 5.300 3.406 2.198 3.776 . 0 0 "[ . 1 . 2 .]" 1
1190 1 35 ALA MB 1 42 VAL HB 5.000 . 5.300 4.064 3.738 4.334 . 0 0 "[ . 1 . 2 .]" 1
1191 2 35 ALA MB 2 42 VAL HB 5.000 . 5.300 4.033 3.693 4.331 . 0 0 "[ . 1 . 2 .]" 1
1192 1 35 ALA MB 1 42 VAL MG2 5.000 . 5.600 1.788 1.702 1.876 0.098 19 0 "[ . 1 . 2 .]" 1
1193 2 35 ALA MB 2 42 VAL MG2 5.000 . 5.600 1.778 1.670 1.903 0.130 7 0 "[ . 1 . 2 .]" 1
1194 1 35 ALA MB 1 42 VAL MG1 4.000 . 4.600 3.342 3.232 3.509 . 0 0 "[ . 1 . 2 .]" 1
1195 2 35 ALA MB 2 42 VAL MG1 4.000 . 4.600 3.342 3.191 3.495 . 0 0 "[ . 1 . 2 .]" 1
1196 1 36 LEU H 1 36 LEU HB2 2.800 . 2.800 2.536 2.379 2.673 . 0 0 "[ . 1 . 2 .]" 1
1197 2 36 LEU H 2 36 LEU HB2 2.800 . 2.800 2.546 2.332 2.707 . 0 0 "[ . 1 . 2 .]" 1
1198 1 36 LEU H 1 36 LEU HB3 3.500 . 3.500 3.572 3.488 3.626 0.126 1 0 "[ . 1 . 2 .]" 1
1199 2 36 LEU H 2 36 LEU HB3 3.500 . 3.500 3.552 3.447 3.610 0.110 7 0 "[ . 1 . 2 .]" 1
1200 1 36 LEU H 1 36 LEU MD1 3.500 . 3.800 3.265 2.457 3.918 0.118 11 0 "[ . 1 . 2 .]" 1
1201 2 36 LEU H 2 36 LEU MD1 3.500 . 3.800 3.467 2.431 3.808 0.008 20 0 "[ . 1 . 2 .]" 1
1202 1 36 LEU HA 1 36 LEU MD2 4.000 . 4.300 2.837 2.109 3.934 . 0 0 "[ . 1 . 2 .]" 1
1203 2 36 LEU HA 2 36 LEU MD2 4.000 . 4.300 2.399 2.030 3.914 . 0 0 "[ . 1 . 2 .]" 1
1204 1 36 LEU H 1 37 ARG H 2.800 . 2.800 2.818 2.758 2.863 0.063 10 0 "[ . 1 . 2 .]" 1
1205 2 36 LEU H 2 37 ARG H 2.800 . 2.800 2.826 2.763 2.866 0.066 18 0 "[ . 1 . 2 .]" 1
1206 1 36 LEU HA 1 37 ARG H 5.000 . 5.000 3.631 3.579 3.682 . 0 0 "[ . 1 . 2 .]" 1
1207 2 36 LEU HA 2 37 ARG H 5.000 . 5.000 3.630 3.601 3.674 . 0 0 "[ . 1 . 2 .]" 1
1208 1 36 LEU HB2 1 37 ARG H 2.800 . 2.800 2.625 2.474 2.795 . 0 0 "[ . 1 . 2 .]" 1
1209 2 36 LEU HB2 2 37 ARG H 2.800 . 2.800 2.606 2.425 2.743 . 0 0 "[ . 1 . 2 .]" 1
1210 1 36 LEU HB3 1 37 ARG H 5.000 . 5.000 3.779 3.626 3.925 . 0 0 "[ . 1 . 2 .]" 1
1211 2 36 LEU HB3 2 37 ARG H 5.000 . 5.000 3.801 3.646 3.920 . 0 0 "[ . 1 . 2 .]" 1
1212 1 36 LEU HB2 1 37 ARG HA 4.000 . 4.000 4.252 4.208 4.298 0.298 12 0 "[ . 1 . 2 .]" 1
1213 2 36 LEU HB2 2 37 ARG HA 4.000 . 4.000 4.245 4.215 4.289 0.289 1 0 "[ . 1 . 2 .]" 1
1214 1 36 LEU HG 1 37 ARG H 5.000 . 5.000 4.274 4.046 4.755 . 0 0 "[ . 1 . 2 .]" 1
1215 2 36 LEU HG 2 37 ARG H 5.000 . 5.000 4.267 4.088 4.629 . 0 0 "[ . 1 . 2 .]" 1
1216 1 36 LEU H 1 38 LYS H 5.000 . 5.000 4.090 3.945 4.252 . 0 0 "[ . 1 . 2 .]" 1
1217 2 36 LEU H 2 38 LYS H 5.000 . 5.000 4.087 3.966 4.272 . 0 0 "[ . 1 . 2 .]" 1
1218 1 36 LEU HA 1 38 LYS H 4.000 . 4.000 4.112 4.087 4.143 0.143 23 0 "[ . 1 . 2 .]" 1
1219 2 36 LEU HA 2 38 LYS H 4.000 . 4.000 4.119 4.088 4.152 0.152 13 0 "[ . 1 . 2 .]" 1
1220 1 36 LEU HA 1 39 GLY H 5.000 . 5.000 3.848 3.627 4.073 . 0 0 "[ . 1 . 2 .]" 1
1221 2 36 LEU HA 2 39 GLY H 5.000 . 5.000 3.893 3.679 4.146 . 0 0 "[ . 1 . 2 .]" 1
1222 1 36 LEU HA 1 40 ASP H 5.000 . 5.000 3.565 3.292 4.806 . 0 0 "[ . 1 . 2 .]" 1
1223 2 36 LEU HA 2 40 ASP H 5.000 . 5.000 3.591 3.133 4.687 . 0 0 "[ . 1 . 2 .]" 1
1224 1 36 LEU MD1 1 42 VAL MG2 3.500 . 4.100 2.909 2.050 3.748 . 0 0 "[ . 1 . 2 .]" 1
1225 2 36 LEU MD1 2 42 VAL MG2 3.500 . 4.100 3.076 2.037 3.714 . 0 0 "[ . 1 . 2 .]" 1
1226 1 36 LEU MD2 1 42 VAL MG2 5.000 . 5.600 2.222 1.889 2.471 . 0 0 "[ . 1 . 2 .]" 1
1227 2 36 LEU MD2 2 42 VAL MG2 5.000 . 5.600 2.192 1.870 2.507 . 0 0 "[ . 1 . 2 .]" 1
1228 1 36 LEU MD1 1 50 PHE HB2 5.000 . 5.300 3.084 2.417 3.707 . 0 0 "[ . 1 . 2 .]" 1
1229 2 36 LEU MD1 2 50 PHE QB 5.000 . 5.300 2.343 1.997 4.031 . 0 0 "[ . 1 . 2 .]" 1
1230 1 36 LEU MD2 1 50 PHE HB2 5.000 . 5.300 2.605 2.269 2.971 . 0 0 "[ . 1 . 2 .]" 1
1231 2 36 LEU MD2 2 50 PHE QB 5.000 . 5.300 2.187 1.927 3.773 . 0 0 "[ . 1 . 2 .]" 1
1232 1 36 LEU MD1 1 50 PHE QD 5.000 . 7.300 2.946 2.223 3.992 . 0 0 "[ . 1 . 2 .]" 1
1233 2 36 LEU MD1 2 50 PHE QD 5.000 . 7.300 2.593 2.207 3.846 . 0 0 "[ . 1 . 2 .]" 1
1234 1 36 LEU MD1 1 51 GLU HA 4.000 . 4.300 3.480 1.942 4.477 0.177 20 0 "[ . 1 . 2 .]" 1
1235 2 36 LEU MD1 2 51 GLU HA 4.000 . 4.300 3.932 1.977 4.476 0.176 6 0 "[ . 1 . 2 .]" 1
1236 1 36 LEU MD2 1 51 GLU HA 5.000 . 5.300 2.999 1.901 3.713 . 0 0 "[ . 1 . 2 .]" 1
1237 2 36 LEU MD2 2 51 GLU HA 5.000 . 5.300 2.579 1.982 3.697 . 0 0 "[ . 1 . 2 .]" 1
1238 1 36 LEU HA 1 52 VAL MG2 2.800 . 3.100 2.555 2.426 2.649 . 0 0 "[ . 1 . 2 .]" 1
1239 2 36 LEU HA 2 52 VAL MG2 2.800 . 3.100 2.552 2.383 2.606 . 0 0 "[ . 1 . 2 .]" 1
1240 1 36 LEU MD2 1 78 ALA H 5.500 . 5.800 3.779 3.119 4.737 . 0 0 "[ . 1 . 2 .]" 1
1241 2 36 LEU MD2 2 78 ALA H 5.500 . 5.800 3.809 2.996 4.704 . 0 0 "[ . 1 . 2 .]" 1
1242 1 36 LEU HB2 2 85 LEU HG 5.000 . 5.000 4.668 4.250 4.848 . 0 0 "[ . 1 . 2 .]" 1
1243 1 85 LEU HG 2 36 LEU HB2 5.000 . 5.000 4.714 4.405 5.031 0.031 9 0 "[ . 1 . 2 .]" 1
1244 1 37 ARG HA 1 37 ARG QD 4.000 . 5.000 4.283 4.009 4.534 . 0 0 "[ . 1 . 2 .]" 1
1245 2 37 ARG HA 2 37 ARG QD 4.000 . 5.000 4.299 4.054 4.536 . 0 0 "[ . 1 . 2 .]" 1
1246 1 37 ARG H 1 38 LYS H 2.800 . 2.800 2.721 2.612 2.817 0.017 17 0 "[ . 1 . 2 .]" 1
1247 2 37 ARG H 2 38 LYS H 2.800 . 2.800 2.727 2.642 2.806 0.006 15 0 "[ . 1 . 2 .]" 1
1248 1 37 ARG HA 1 38 LYS H 4.000 . 4.000 3.549 3.500 3.607 . 0 0 "[ . 1 . 2 .]" 1
1249 2 37 ARG HA 2 38 LYS H 4.000 . 4.000 3.552 3.514 3.613 . 0 0 "[ . 1 . 2 .]" 1
1250 1 37 ARG HA 1 38 LYS HA 5.000 . 5.000 4.748 4.699 4.815 . 0 0 "[ . 1 . 2 .]" 1
1251 2 37 ARG HA 2 38 LYS HA 5.000 . 5.000 4.750 4.630 4.791 . 0 0 "[ . 1 . 2 .]" 1
1252 1 37 ARG QG 1 38 LYS HA 5.000 . 6.000 3.634 3.352 4.173 . 0 0 "[ . 1 . 2 .]" 1
1253 2 37 ARG QG 2 38 LYS HA 5.000 . 6.000 3.698 3.353 4.150 . 0 0 "[ . 1 . 2 .]" 1
1254 1 37 ARG QD 1 38 LYS HA 5.000 . 6.000 5.424 5.271 5.566 . 0 0 "[ . 1 . 2 .]" 1
1255 2 37 ARG QD 2 38 LYS HA 5.000 . 6.000 5.407 5.237 5.540 . 0 0 "[ . 1 . 2 .]" 1
1256 1 37 ARG H 1 39 GLY H 5.000 . 5.000 4.449 4.271 4.572 . 0 0 "[ . 1 . 2 .]" 1
1257 2 37 ARG H 2 39 GLY H 5.000 . 5.000 4.465 4.342 4.598 . 0 0 "[ . 1 . 2 .]" 1
1258 1 37 ARG HA 1 39 GLY H 4.000 . 4.000 4.045 4.003 4.092 0.092 22 0 "[ . 1 . 2 .]" 1
1259 2 37 ARG HA 2 39 GLY H 4.000 . 4.000 4.048 4.015 4.101 0.101 7 0 "[ . 1 . 2 .]" 1
1260 1 37 ARG HA 2 88 ALA MB 5.500 . 5.800 4.561 4.128 4.717 . 0 0 "[ . 1 . 2 .]" 1
1261 1 88 ALA MB 2 37 ARG HA 5.500 . 5.800 4.559 4.105 4.749 . 0 0 "[ . 1 . 2 .]" 1
1262 1 37 ARG H 2 88 ALA MB 5.500 . 5.800 4.714 4.529 4.794 . 0 0 "[ . 1 . 2 .]" 1
1263 1 88 ALA MB 2 37 ARG H 5.500 . 5.800 4.725 4.611 4.796 . 0 0 "[ . 1 . 2 .]" 1
1264 1 37 ARG QD 2 88 ALA HA 5.000 . 6.000 4.545 3.878 5.186 . 0 0 "[ . 1 . 2 .]" 1
1265 1 88 ALA HA 2 37 ARG QD 5.000 . 6.000 4.546 3.787 5.270 . 0 0 "[ . 1 . 2 .]" 1
1266 1 37 ARG HA 2 89 VAL HA 3.500 . 3.500 2.499 2.078 2.842 . 0 0 "[ . 1 . 2 .]" 1
1267 1 89 VAL HA 2 37 ARG HA 3.500 . 3.500 2.506 2.171 2.928 . 0 0 "[ . 1 . 2 .]" 1
1268 1 37 ARG HA 2 89 VAL HB 5.000 . 5.000 4.073 2.175 4.481 . 0 0 "[ . 1 . 2 .]" 1
1269 1 89 VAL HB 2 37 ARG HA 5.000 . 5.000 4.097 2.412 4.537 . 0 0 "[ . 1 . 2 .]" 1
1270 1 37 ARG QG 1 39 GLY H 5.000 . 6.000 4.894 4.667 5.246 . 0 0 "[ . 1 . 2 .]" 1
1271 2 37 ARG QG 2 39 GLY H 5.000 . 6.000 4.941 4.710 5.296 . 0 0 "[ . 1 . 2 .]" 1
1272 1 38 LYS H 1 39 GLY H 4.000 . 4.000 2.564 2.367 2.648 . 0 0 "[ . 1 . 2 .]" 1
1273 2 38 LYS H 2 39 GLY H 4.000 . 4.000 2.563 2.365 2.755 . 0 0 "[ . 1 . 2 .]" 1
1274 1 38 LYS QB 1 39 GLY H 4.000 . 5.000 3.699 3.324 3.903 . 0 0 "[ . 1 . 2 .]" 1
1275 2 38 LYS QB 2 39 GLY H 4.000 . 5.000 3.705 3.500 3.913 . 0 0 "[ . 1 . 2 .]" 1
1276 1 38 LYS H 1 39 GLY QA 4.000 . 5.000 4.465 4.379 4.524 . 0 0 "[ . 1 . 2 .]" 1
1277 2 38 LYS H 2 39 GLY QA 4.000 . 5.000 4.469 4.382 4.522 . 0 0 "[ . 1 . 2 .]" 1
1278 1 38 LYS HA 1 39 GLY H 4.000 . 4.000 3.230 3.022 3.432 . 0 0 "[ . 1 . 2 .]" 1
1279 2 38 LYS HA 2 39 GLY H 4.000 . 4.000 3.228 3.027 3.342 . 0 0 "[ . 1 . 2 .]" 1
1280 1 38 LYS H 1 40 ASP H 4.000 . 4.000 3.581 3.438 3.705 . 0 0 "[ . 1 . 2 .]" 1
1281 2 38 LYS H 2 40 ASP H 4.000 . 4.000 3.590 3.448 3.805 . 0 0 "[ . 1 . 2 .]" 1
1282 1 38 LYS HA 1 40 ASP H 5.000 . 5.000 5.048 4.637 5.106 0.106 25 0 "[ . 1 . 2 .]" 1
1283 2 38 LYS HA 2 40 ASP H 5.000 . 5.000 5.067 5.039 5.095 0.095 11 0 "[ . 1 . 2 .]" 1
1284 1 38 LYS QB 1 40 ASP H 4.000 . 5.000 3.851 2.920 4.276 . 0 0 "[ . 1 . 2 .]" 1
1285 2 38 LYS QB 2 40 ASP H 4.000 . 5.000 3.879 3.606 4.403 . 0 0 "[ . 1 . 2 .]" 1
1286 1 39 GLY H 1 40 ASP H 2.800 . 2.800 2.655 2.459 2.827 0.027 22 0 "[ . 1 . 2 .]" 1
1287 2 39 GLY H 2 40 ASP H 2.800 . 2.800 2.656 2.476 2.915 0.115 7 0 "[ . 1 . 2 .]" 1
1288 1 39 GLY QA 1 40 ASP H 3.500 . 4.500 2.702 2.608 2.953 . 0 0 "[ . 1 . 2 .]" 1
1289 2 39 GLY QA 2 40 ASP H 3.500 . 4.500 2.676 2.464 2.782 . 0 0 "[ . 1 . 2 .]" 1
1290 1 39 GLY H 1 52 VAL MG2 5.000 . 5.300 4.047 3.695 4.259 . 0 0 "[ . 1 . 2 .]" 1
1291 2 39 GLY H 2 52 VAL MG2 5.000 . 5.300 4.077 3.737 4.248 . 0 0 "[ . 1 . 2 .]" 1
1292 1 39 GLY H 1 52 VAL MG1 5.000 . 5.300 3.421 3.029 4.100 . 0 0 "[ . 1 . 2 .]" 1
1293 2 39 GLY H 2 52 VAL MG1 5.000 . 5.300 3.320 2.913 3.925 . 0 0 "[ . 1 . 2 .]" 1
1294 1 40 ASP HA 1 41 LYS H 2.790 . 2.790 2.083 2.043 2.161 . 0 0 "[ . 1 . 2 .]" 1
1295 2 40 ASP HA 2 41 LYS H 2.790 . 2.790 2.095 2.040 2.289 . 0 0 "[ . 1 . 2 .]" 1
1296 1 40 ASP QB 1 41 LYS H 2.790 . 3.790 2.826 2.441 3.025 . 0 0 "[ . 1 . 2 .]" 1
1297 2 40 ASP QB 2 41 LYS H 2.790 . 3.790 2.840 2.569 3.328 . 0 0 "[ . 1 . 2 .]" 1
1298 1 40 ASP H 1 52 VAL MG1 5.000 . 5.300 4.021 3.434 4.314 . 0 0 "[ . 1 . 2 .]" 1
1299 2 40 ASP H 2 52 VAL MG1 5.000 . 5.300 3.890 3.454 4.428 . 0 0 "[ . 1 . 2 .]" 1
1300 1 41 LYS H 1 41 LYS HB2 2.800 . 2.800 2.784 2.705 2.818 0.018 8 0 "[ . 1 . 2 .]" 1
1301 2 41 LYS H 2 41 LYS HB2 2.800 . 2.800 2.757 2.489 2.817 0.017 13 0 "[ . 1 . 2 .]" 1
1302 1 41 LYS H 1 41 LYS HB3 4.000 . 4.000 3.848 3.808 3.880 . 0 0 "[ . 1 . 2 .]" 1
1303 2 41 LYS H 2 41 LYS HB3 4.000 . 4.000 3.805 2.947 3.883 . 0 0 "[ . 1 . 2 .]" 1
1304 1 41 LYS H 1 41 LYS QG 3.500 . 4.500 2.566 2.433 2.736 . 0 0 "[ . 1 . 2 .]" 1
1305 2 41 LYS H 2 41 LYS QG 3.500 . 4.500 2.619 2.431 3.748 . 0 0 "[ . 1 . 2 .]" 1
1306 1 41 LYS HA 1 41 LYS QG 3.500 . 4.500 2.573 2.502 2.636 . 0 0 "[ . 1 . 2 .]" 1
1307 2 41 LYS HA 2 41 LYS QG 3.500 . 4.500 2.583 2.477 2.682 . 0 0 "[ . 1 . 2 .]" 1
1308 1 41 LYS HA 1 42 VAL H 2.790 . 2.790 2.228 2.143 2.346 . 0 0 "[ . 1 . 2 .]" 1
1309 2 41 LYS HA 2 42 VAL H 2.790 . 2.790 2.264 2.165 2.914 0.124 7 0 "[ . 1 . 2 .]" 1
1310 1 41 LYS HA 1 42 VAL HB 5.000 . 5.000 4.402 4.131 4.593 . 0 0 "[ . 1 . 2 .]" 1
1311 2 41 LYS HA 2 42 VAL HB 5.000 . 5.000 4.422 4.159 5.188 0.188 7 0 "[ . 1 . 2 .]" 1
1312 1 41 LYS H 1 42 VAL H 5.000 . 5.000 4.576 4.456 4.719 . 0 0 "[ . 1 . 2 .]" 1
1313 2 41 LYS H 2 42 VAL H 5.000 . 5.000 4.514 2.554 4.687 . 0 0 "[ . 1 . 2 .]" 1
1314 1 41 LYS HB2 1 42 VAL H 4.000 . 4.000 4.087 4.032 4.144 0.144 17 0 "[ . 1 . 2 .]" 1
1315 2 41 LYS HB2 2 42 VAL H 4.000 . 4.000 4.083 4.033 4.163 0.163 7 0 "[ . 1 . 2 .]" 1
1316 1 41 LYS HB3 1 42 VAL H 4.000 . 4.000 3.257 3.105 3.469 . 0 0 "[ . 1 . 2 .]" 1
1317 2 41 LYS HB3 2 42 VAL H 4.000 . 4.000 3.273 3.110 4.135 0.135 7 0 "[ . 1 . 2 .]" 1
1318 1 41 LYS HB2 1 43 GLN QG 5.000 . 6.000 3.936 3.228 4.668 . 0 0 "[ . 1 . 2 .]" 1
1319 2 41 LYS HB2 2 43 GLN QG 5.000 . 6.000 4.031 2.976 5.453 . 0 0 "[ . 1 . 2 .]" 1
1320 1 41 LYS HB3 1 43 GLN HE22 5.000 . 5.000 4.727 3.334 5.022 0.022 24 0 "[ . 1 . 2 .]" 1
1321 2 41 LYS HB3 2 43 GLN QE 5.000 . 5.000 3.179 2.163 4.555 . 0 0 "[ . 1 . 2 .]" 1
1322 1 41 LYS QG 1 43 GLN HE21 5.000 . 6.000 4.652 4.203 4.896 . 0 0 "[ . 1 . 2 .]" 1
1323 2 41 LYS QG 2 43 GLN QE 5.000 . 6.000 4.435 3.431 4.786 . 0 0 "[ . 1 . 2 .]" 1
1324 1 41 LYS QG 1 43 GLN HE22 5.500 . 6.500 5.647 4.763 5.848 . 0 0 "[ . 1 . 2 .]" 1
1325 1 41 LYS QD 1 43 GLN HE21 4.000 . 5.000 3.290 2.525 3.880 . 0 0 "[ . 1 . 2 .]" 1
1326 2 41 LYS QD 2 43 GLN QE 4.000 . 5.000 3.156 2.746 3.645 . 0 0 "[ . 1 . 2 .]" 1
1327 1 41 LYS QE 1 43 GLN HE21 5.000 . 6.000 4.890 2.596 5.418 . 0 0 "[ . 1 . 2 .]" 1
1328 2 41 LYS QE 2 43 GLN QE 5.000 . 6.000 4.332 1.971 5.127 . 0 0 "[ . 1 . 2 .]" 1
1329 1 41 LYS QD 1 43 GLN HE22 4.000 . 5.000 3.967 3.309 4.339 . 0 0 "[ . 1 . 2 .]" 1
1330 1 41 LYS QG 1 51 GLU QB 5.000 . 7.000 2.106 2.037 2.203 . 0 0 "[ . 1 . 2 .]" 1
1331 2 41 LYS QG 2 51 GLU QB 5.000 . 7.000 2.373 2.052 5.603 . 0 0 "[ . 1 . 2 .]" 1
1332 1 42 VAL H 1 42 VAL HB 3.600 . 3.600 2.238 2.036 2.416 . 0 0 "[ . 1 . 2 .]" 1
1333 2 42 VAL H 2 42 VAL HB 3.600 . 3.600 2.229 2.057 2.649 . 0 0 "[ . 1 . 2 .]" 1
1334 1 42 VAL H 1 42 VAL MG1 3.500 . 3.800 3.542 3.505 3.585 . 0 0 "[ . 1 . 2 .]" 1
1335 2 42 VAL H 2 42 VAL MG1 3.500 . 3.800 3.542 3.515 3.622 . 0 0 "[ . 1 . 2 .]" 1
1336 1 42 VAL HA 1 42 VAL MG2 2.800 . 3.100 2.524 2.243 2.663 . 0 0 "[ . 1 . 2 .]" 1
1337 2 42 VAL HA 2 42 VAL MG2 2.800 . 3.100 2.524 2.312 2.688 . 0 0 "[ . 1 . 2 .]" 1
1338 1 42 VAL H 1 43 GLN QG 5.000 . 6.000 4.287 4.084 4.609 . 0 0 "[ . 1 . 2 .]" 1
1339 2 42 VAL H 2 43 GLN QG 5.000 . 6.000 4.244 4.073 4.609 . 0 0 "[ . 1 . 2 .]" 1
1340 1 42 VAL HA 1 43 GLN H 2.800 . 2.800 2.427 1.796 2.987 0.187 4 0 "[ . 1 . 2 .]" 1
1341 2 42 VAL HA 2 43 GLN H 2.800 . 2.800 2.493 1.801 3.018 0.218 19 0 "[ . 1 . 2 .]" 1
1342 1 42 VAL H 1 43 GLN H 5.000 . 5.000 4.078 3.634 4.363 . 0 0 "[ . 1 . 2 .]" 1
1343 2 42 VAL H 2 43 GLN H 5.000 . 5.000 4.029 3.577 4.349 . 0 0 "[ . 1 . 2 .]" 1
1344 1 42 VAL HB 1 43 GLN H 5.000 . 5.000 3.155 2.247 4.225 . 0 0 "[ . 1 . 2 .]" 1
1345 2 42 VAL HB 2 43 GLN H 5.000 . 5.000 3.050 2.138 4.152 . 0 0 "[ . 1 . 2 .]" 1
1346 1 42 VAL MG2 1 43 GLN H 4.000 . 4.300 3.749 3.660 3.870 . 0 0 "[ . 1 . 2 .]" 1
1347 2 42 VAL MG2 2 43 GLN H 4.000 . 4.300 3.735 3.640 3.876 . 0 0 "[ . 1 . 2 .]" 1
1348 1 42 VAL MG1 1 43 GLN H 3.500 . 3.800 2.065 1.536 3.055 0.264 13 0 "[ . 1 . 2 .]" 1
1349 2 42 VAL MG1 2 43 GLN H 3.500 . 3.800 2.035 1.470 3.077 0.330 25 0 "[ . 1 . 2 .]" 1
1350 1 42 VAL MG2 1 44 LEU QD 5.500 . 8.200 4.639 4.097 5.037 . 0 0 "[ . 1 . 2 .]" 1
1351 2 42 VAL MG2 2 44 LEU QD 5.500 . 8.200 4.610 4.121 5.057 . 0 0 "[ . 1 . 2 .]" 1
1352 1 42 VAL H 1 50 PHE H 4.000 . 4.000 3.761 3.455 4.007 0.007 15 0 "[ . 1 . 2 .]" 1
1353 2 42 VAL H 2 50 PHE H 4.000 . 4.000 3.858 3.538 4.028 0.028 11 0 "[ . 1 . 2 .]" 1
1354 1 42 VAL HB 1 50 PHE H 5.000 . 5.000 2.526 1.960 3.797 . 0 0 "[ . 1 . 2 .]" 1
1355 2 42 VAL HB 2 50 PHE H 5.000 . 5.000 2.632 1.859 3.849 . 0 0 "[ . 1 . 2 .]" 1
1356 1 42 VAL H 1 50 PHE HB2 5.000 . 5.000 3.169 2.300 3.503 . 0 0 "[ . 1 . 2 .]" 1
1357 2 42 VAL H 2 50 PHE QB 5.000 . 5.000 3.177 2.703 3.756 . 0 0 "[ . 1 . 2 .]" 1
1358 1 42 VAL HB 1 50 PHE HB2 5.000 . 5.000 2.057 1.938 2.232 . 0 0 "[ . 1 . 2 .]" 1
1359 2 42 VAL HB 2 50 PHE QB 5.000 . 5.000 2.060 1.906 2.379 . 0 0 "[ . 1 . 2 .]" 1
1360 1 42 VAL MG2 1 50 PHE HB2 5.000 . 5.300 2.403 1.973 3.454 . 0 0 "[ . 1 . 2 .]" 1
1361 2 42 VAL MG2 2 50 PHE QB 5.000 . 5.300 2.403 1.944 3.502 . 0 0 "[ . 1 . 2 .]" 1
1362 1 42 VAL MG1 1 50 PHE HB2 5.000 . 5.300 3.054 2.897 3.357 . 0 0 "[ . 1 . 2 .]" 1
1363 2 42 VAL MG1 2 50 PHE QB 5.000 . 5.300 2.956 2.710 3.165 . 0 0 "[ . 1 . 2 .]" 1
1364 1 42 VAL MG1 1 50 PHE HB3 5.000 . 5.300 4.317 3.507 4.464 . 0 0 "[ . 1 . 2 .]" 1
1365 1 42 VAL HB 1 50 PHE HB3 5.000 . 5.000 3.644 2.991 3.915 . 0 0 "[ . 1 . 2 .]" 1
1366 1 42 VAL MG2 1 50 PHE QD 5.000 . 7.300 3.417 2.998 4.229 . 0 0 "[ . 1 . 2 .]" 1
1367 2 42 VAL MG2 2 50 PHE QD 5.000 . 7.300 3.395 2.493 4.037 . 0 0 "[ . 1 . 2 .]" 1
1368 1 42 VAL MG1 1 50 PHE QD 2.800 . 5.100 2.396 2.216 2.714 . 0 0 "[ . 1 . 2 .]" 1
1369 2 42 VAL MG1 2 50 PHE QD 2.800 . 5.100 2.404 2.232 2.760 . 0 0 "[ . 1 . 2 .]" 1
1370 1 42 VAL MG1 1 50 PHE H 5.000 . 5.300 3.408 3.011 4.103 . 0 0 "[ . 1 . 2 .]" 1
1371 2 42 VAL MG1 2 50 PHE H 5.000 . 5.300 3.482 3.011 4.256 . 0 0 "[ . 1 . 2 .]" 1
1372 1 43 GLN H 1 43 GLN QG 2.800 . 3.800 3.409 3.117 3.517 . 0 0 "[ . 1 . 2 .]" 1
1373 2 43 GLN H 2 43 GLN QG 2.800 . 3.800 3.411 2.846 3.559 . 0 0 "[ . 1 . 2 .]" 1
1374 1 43 GLN HE22 1 43 GLN QG 3.500 . 4.500 3.310 3.252 3.393 . 0 0 "[ . 1 . 2 .]" 1
1375 1 43 GLN H 1 44 LEU H 5.000 . 5.000 4.160 3.008 4.672 . 0 0 "[ . 1 . 2 .]" 1
1376 2 43 GLN H 2 44 LEU H 5.000 . 5.000 4.108 3.077 4.557 . 0 0 "[ . 1 . 2 .]" 1
1377 1 43 GLN QG 1 44 LEU H 5.500 . 6.500 3.432 2.671 5.038 . 0 0 "[ . 1 . 2 .]" 1
1378 2 43 GLN QG 2 44 LEU H 5.500 . 6.500 3.483 2.802 5.080 . 0 0 "[ . 1 . 2 .]" 1
1379 1 43 GLN QB 1 44 LEU H 3.500 . 4.500 2.890 2.478 3.944 . 0 0 "[ . 1 . 2 .]" 1
1380 2 43 GLN QB 2 44 LEU H 3.500 . 4.500 2.923 2.535 4.086 . 0 0 "[ . 1 . 2 .]" 1
1381 1 43 GLN HA 1 44 LEU H 2.790 . 2.790 2.070 1.940 2.940 0.150 2 0 "[ . 1 . 2 .]" 1
1382 2 43 GLN HA 2 44 LEU H 2.790 . 2.790 2.093 1.944 2.875 0.085 20 0 "[ . 1 . 2 .]" 1
1383 1 43 GLN HA 1 49 ASN HA 2.790 . 2.790 2.533 2.297 2.780 . 0 0 "[ . 1 . 2 .]" 1
1384 2 43 GLN HA 2 49 ASN HA 2.790 . 2.790 2.551 2.294 2.824 0.034 11 0 "[ . 1 . 2 .]" 1
1385 1 43 GLN QG 1 49 ASN HD22 5.000 . 6.000 3.539 2.880 4.387 . 0 0 "[ . 1 . 2 .]" 1
1386 2 43 GLN QG 2 49 ASN HD21 5.000 . 6.000 3.597 1.754 4.257 0.046 18 0 "[ . 1 . 2 .]" 1
1387 1 43 GLN QG 1 49 ASN HD21 5.000 . 6.000 3.752 2.973 5.108 . 0 0 "[ . 1 . 2 .]" 1
1388 2 43 GLN QG 2 49 ASN HD22 5.000 . 6.000 3.632 2.657 5.007 . 0 0 "[ . 1 . 2 .]" 1
1389 1 43 GLN HE21 1 49 ASN HD22 5.000 . 5.000 3.663 2.858 5.008 0.008 12 0 "[ . 1 . 2 .]" 1
1390 2 43 GLN QE 2 49 ASN HD21 5.000 . 5.000 3.918 2.486 5.308 0.308 7 0 "[ . 1 . 2 .]" 1
1391 1 43 GLN HE22 1 49 ASN HD22 5.000 . 5.000 4.098 2.591 5.006 0.006 23 0 "[ . 1 . 2 .]" 1
1392 1 43 GLN HA 1 50 PHE H 4.000 . 4.000 3.692 3.327 4.106 0.106 2 0 "[ . 1 . 2 .]" 1
1393 2 43 GLN HA 2 50 PHE H 4.000 . 4.000 3.590 2.998 4.045 0.045 7 0 "[ . 1 . 2 .]" 1
1394 1 44 LEU H 1 44 LEU HG 3.500 . 3.500 3.502 3.142 3.586 0.086 7 0 "[ . 1 . 2 .]" 1
1395 2 44 LEU H 2 44 LEU HG 3.500 . 3.500 3.400 2.523 3.630 0.130 18 0 "[ . 1 . 2 .]" 1
1396 1 44 LEU HA 1 44 LEU QD 4.000 . 6.400 2.787 2.240 3.277 . 0 0 "[ . 1 . 2 .]" 1
1397 2 44 LEU HA 2 44 LEU QD 4.000 . 6.400 2.805 2.221 3.276 . 0 0 "[ . 1 . 2 .]" 1
1398 1 44 LEU H 1 44 LEU QD 4.000 . 6.400 3.185 2.179 3.879 . 0 0 "[ . 1 . 2 .]" 1
1399 2 44 LEU H 2 44 LEU QD 4.000 . 6.400 3.160 2.065 3.867 . 0 0 "[ . 1 . 2 .]" 1
1400 1 44 LEU H 1 45 ILE H 5.000 . 5.000 4.105 3.839 4.458 . 0 0 "[ . 1 . 2 .]" 1
1401 2 44 LEU H 2 45 ILE H 5.000 . 5.000 4.128 3.942 4.534 . 0 0 "[ . 1 . 2 .]" 1
1402 1 44 LEU HA 1 45 ILE H 2.790 . 2.790 2.236 2.094 2.277 . 0 0 "[ . 1 . 2 .]" 1
1403 2 44 LEU HA 2 45 ILE H 2.790 . 2.790 2.228 2.076 2.267 . 0 0 "[ . 1 . 2 .]" 1
1404 1 44 LEU HA 1 45 ILE HB 5.000 . 5.000 4.594 4.322 4.752 . 0 0 "[ . 1 . 2 .]" 1
1405 2 44 LEU HA 2 45 ILE HB 5.000 . 5.000 4.584 4.415 4.677 . 0 0 "[ . 1 . 2 .]" 1
1406 1 44 LEU HA 1 45 ILE MG 5.000 . 5.300 4.143 4.005 4.189 . 0 0 "[ . 1 . 2 .]" 1
1407 2 44 LEU HA 2 45 ILE MG 5.000 . 5.300 4.139 3.986 4.176 . 0 0 "[ . 1 . 2 .]" 1
1408 1 44 LEU HB3 1 45 ILE H 4.000 . 4.000 3.656 3.384 3.851 . 0 0 "[ . 1 . 2 .]" 1
1409 2 44 LEU HB3 2 45 ILE H 4.000 . 4.000 3.649 3.313 3.908 . 0 0 "[ . 1 . 2 .]" 1
1410 1 44 LEU QD 1 45 ILE H 4.000 . 6.400 4.286 3.784 4.707 . 0 0 "[ . 1 . 2 .]" 1
1411 2 44 LEU QD 2 45 ILE H 4.000 . 6.400 4.315 3.671 4.701 . 0 0 "[ . 1 . 2 .]" 1
1412 1 44 LEU HB2 1 47 PHE HB2 5.000 . 5.000 4.507 3.857 5.021 0.021 2 0 "[ . 1 . 2 .]" 1
1413 2 44 LEU HB2 2 47 PHE HB2 5.000 . 5.000 4.426 3.406 5.008 0.008 23 0 "[ . 1 . 2 .]" 1
1414 1 44 LEU H 1 48 GLY H 4.000 . 4.000 3.874 3.563 4.108 0.108 2 0 "[ . 1 . 2 .]" 1
1415 2 44 LEU H 2 48 GLY H 4.000 . 4.000 3.935 3.583 4.121 0.121 20 0 "[ . 1 . 2 .]" 1
1416 1 44 LEU HB2 1 48 GLY H 2.800 . 2.800 2.410 1.983 2.702 . 0 0 "[ . 1 . 2 .]" 1
1417 2 44 LEU HB2 2 48 GLY H 2.800 . 2.800 2.414 2.026 2.804 0.004 4 0 "[ . 1 . 2 .]" 1
1418 1 44 LEU HB3 1 48 GLY H 4.000 . 4.000 3.478 2.713 4.023 0.023 23 0 "[ . 1 . 2 .]" 1
1419 2 44 LEU HB3 2 48 GLY H 4.000 . 4.000 3.532 2.640 4.007 0.007 1 0 "[ . 1 . 2 .]" 1
1420 1 44 LEU QD 1 48 GLY H 5.000 . 7.400 3.695 3.389 3.954 . 0 0 "[ . 1 . 2 .]" 1
1421 2 44 LEU QD 2 48 GLY H 5.000 . 7.400 3.642 3.233 4.044 . 0 0 "[ . 1 . 2 .]" 1
1422 1 44 LEU H 1 49 ASN HA 4.000 . 4.000 3.143 2.622 3.532 . 0 0 "[ . 1 . 2 .]" 1
1423 2 44 LEU H 2 49 ASN HA 4.000 . 4.000 3.077 2.110 3.329 . 0 0 "[ . 1 . 2 .]" 1
1424 1 44 LEU H 1 50 PHE H 5.000 . 5.000 4.683 3.734 5.003 0.003 13 0 "[ . 1 . 2 .]" 1
1425 2 44 LEU H 2 50 PHE H 5.000 . 5.000 4.549 3.445 5.007 0.007 17 0 "[ . 1 . 2 .]" 1
1426 1 44 LEU HG 1 50 PHE HZ 50.000 4.000 50.000 6.602 5.585 7.835 . 0 0 "[ . 1 . 2 .]" 1
1427 2 44 LEU HG 2 50 PHE HZ 50.000 4.000 50.000 6.504 5.392 7.607 . 0 0 "[ . 1 . 2 .]" 1
1428 1 44 LEU HG 2 50 PHE HZ 50.000 4.000 50.000 8.265 7.458 9.590 . 0 0 "[ . 1 . 2 .]" 1
1429 1 50 PHE HZ 2 44 LEU HG 50.000 4.000 50.000 8.156 6.842 8.767 . 0 0 "[ . 1 . 2 .]" 1
1430 1 44 LEU QD 1 50 PHE QE 4.000 . 8.400 2.296 2.134 2.982 . 0 0 "[ . 1 . 2 .]" 1
1431 2 44 LEU QD 2 50 PHE QE 4.000 . 8.400 2.285 2.054 4.060 . 0 0 "[ . 1 . 2 .]" 1
1432 1 44 LEU HA 2 3 LYS QG 5.000 . 6.000 3.399 2.569 4.521 . 0 0 "[ . 1 . 2 .]" 1
1433 1 3 LYS QG 2 44 LEU HA 5.000 . 6.000 3.449 2.815 4.319 . 0 0 "[ . 1 . 2 .]" 1
1434 1 45 ILE H 1 45 ILE HB 2.790 . 2.790 2.610 2.457 2.801 0.011 2 0 "[ . 1 . 2 .]" 1
1435 2 45 ILE H 2 45 ILE HB 2.790 . 2.790 2.619 2.485 2.715 . 0 0 "[ . 1 . 2 .]" 1
1436 1 45 ILE H 1 45 ILE QG 4.000 . 5.000 4.185 4.097 4.313 . 0 0 "[ . 1 . 2 .]" 1
1437 2 45 ILE H 2 45 ILE QG 4.000 . 5.000 4.193 4.097 4.298 . 0 0 "[ . 1 . 2 .]" 1
1438 1 45 ILE H 1 45 ILE MG 2.800 . 3.100 2.263 2.224 2.288 . 0 0 "[ . 1 . 2 .]" 1
1439 2 45 ILE H 2 45 ILE MG 2.800 . 3.100 2.262 2.246 2.280 . 0 0 "[ . 1 . 2 .]" 1
1440 1 45 ILE HA 1 45 ILE MG 3.500 . 3.800 3.272 3.262 3.286 . 0 0 "[ . 1 . 2 .]" 1
1441 2 45 ILE HA 2 45 ILE MG 3.500 . 3.800 3.272 3.266 3.287 . 0 0 "[ . 1 . 2 .]" 1
1442 1 45 ILE HA 1 45 ILE QG 2.800 . 3.800 2.517 2.237 3.002 . 0 0 "[ . 1 . 2 .]" 1
1443 2 45 ILE HA 2 45 ILE QG 2.800 . 3.800 2.545 2.234 3.001 . 0 0 "[ . 1 . 2 .]" 1
1444 1 45 ILE MG 1 46 GLY QA 5.000 . 6.300 3.768 3.442 3.901 . 0 0 "[ . 1 . 2 .]" 1
1445 2 45 ILE MG 2 46 GLY QA 5.000 . 6.300 3.761 3.404 3.924 . 0 0 "[ . 1 . 2 .]" 1
1446 1 45 ILE HA 1 46 GLY QA 5.000 . 6.000 4.084 3.970 4.328 . 0 0 "[ . 1 . 2 .]" 1
1447 2 45 ILE HA 2 46 GLY QA 5.000 . 6.000 4.085 3.986 4.347 . 0 0 "[ . 1 . 2 .]" 1
1448 1 45 ILE H 1 46 GLY H 5.000 . 5.000 4.095 2.697 4.667 . 0 0 "[ . 1 . 2 .]" 1
1449 2 45 ILE H 2 46 GLY H 5.000 . 5.000 4.082 2.494 4.634 . 0 0 "[ . 1 . 2 .]" 1
1450 1 45 ILE QG 1 46 GLY H 3.600 . 4.600 2.812 2.186 4.185 . 0 0 "[ . 1 . 2 .]" 1
1451 2 45 ILE QG 2 46 GLY H 3.600 . 4.600 2.860 2.191 4.194 . 0 0 "[ . 1 . 2 .]" 1
1452 1 45 ILE MG 1 46 GLY H 4.000 . 4.300 3.336 2.301 3.588 . 0 0 "[ . 1 . 2 .]" 1
1453 2 45 ILE MG 2 46 GLY H 4.000 . 4.300 3.329 2.290 3.587 . 0 0 "[ . 1 . 2 .]" 1
1454 1 45 ILE HA 1 46 GLY H 2.790 . 2.790 2.427 2.139 3.102 0.312 8 0 "[ . 1 . 2 .]" 1
1455 2 45 ILE HA 2 46 GLY H 2.790 . 2.790 2.426 2.154 3.101 0.311 22 0 "[ . 1 . 2 .]" 1
1456 1 45 ILE HB 1 46 GLY H 4.000 . 4.000 3.999 3.756 4.071 0.071 20 0 "[ . 1 . 2 .]" 1
1457 2 45 ILE HB 2 46 GLY H 4.000 . 4.000 3.999 3.749 4.069 0.069 3 0 "[ . 1 . 2 .]" 1
1458 1 45 ILE HA 1 47 PHE H 3.500 . 3.500 3.543 3.432 3.649 0.149 8 0 "[ . 1 . 2 .]" 1
1459 2 45 ILE HA 2 47 PHE H 3.500 . 3.500 3.542 3.421 3.659 0.159 6 0 "[ . 1 . 2 .]" 1
1460 1 46 GLY H 1 47 PHE H 3.500 . 3.500 2.955 2.318 3.221 . 0 0 "[ . 1 . 2 .]" 1
1461 2 46 GLY H 2 47 PHE H 3.500 . 3.500 2.960 2.300 3.211 . 0 0 "[ . 1 . 2 .]" 1
1462 1 46 GLY QA 1 47 PHE H 4.000 . 5.000 2.973 2.830 3.028 . 0 0 "[ . 1 . 2 .]" 1
1463 2 46 GLY QA 2 47 PHE H 4.000 . 5.000 2.987 2.914 3.045 . 0 0 "[ . 1 . 2 .]" 1
1464 1 46 GLY QA 1 48 GLY H 5.000 . 6.000 4.871 4.628 5.389 . 0 0 "[ . 1 . 2 .]" 1
1465 2 46 GLY QA 2 48 GLY H 5.000 . 6.000 4.876 4.676 5.463 . 0 0 "[ . 1 . 2 .]" 1
1466 1 46 GLY QA 1 84 ALA H 5.000 . 6.000 4.514 3.276 5.123 . 0 0 "[ . 1 . 2 .]" 1
1467 2 46 GLY QA 2 84 ALA H 5.000 . 6.000 4.538 3.466 5.216 . 0 0 "[ . 1 . 2 .]" 1
1468 1 46 GLY QA 1 84 ALA MB 3.500 . 4.800 2.187 1.977 2.524 . 0 0 "[ . 1 . 2 .]" 1
1469 2 46 GLY QA 2 84 ALA MB 3.500 . 4.800 2.193 1.969 2.539 . 0 0 "[ . 1 . 2 .]" 1
1470 1 47 PHE H 1 47 PHE HB2 2.800 . 2.800 2.944 2.885 2.991 0.191 10 0 "[ . 1 . 2 .]" 1
1471 2 47 PHE H 2 47 PHE HB2 2.800 . 2.800 2.927 2.125 3.006 0.206 22 0 "[ . 1 . 2 .]" 1
1472 1 47 PHE H 1 47 PHE HB3 2.790 . 2.790 2.791 2.666 2.883 0.093 7 0 "[ . 1 . 2 .]" 1
1473 2 47 PHE H 2 47 PHE HB3 2.790 . 2.790 2.792 2.578 3.021 0.231 4 0 "[ . 1 . 2 .]" 1
1474 1 47 PHE H 1 48 GLY H 3.500 . 3.500 2.219 2.084 2.823 . 0 0 "[ . 1 . 2 .]" 1
1475 2 47 PHE H 2 48 GLY H 3.500 . 3.500 2.213 2.092 2.810 . 0 0 "[ . 1 . 2 .]" 1
1476 1 47 PHE H 1 48 GLY QA 5.000 . 6.000 4.258 3.587 4.475 . 0 0 "[ . 1 . 2 .]" 1
1477 2 47 PHE H 2 48 GLY QA 5.000 . 6.000 4.256 3.961 4.407 . 0 0 "[ . 1 . 2 .]" 1
1478 1 47 PHE HB2 1 48 GLY H 4.000 . 4.000 3.925 3.465 4.008 0.008 15 0 "[ . 1 . 2 .]" 1
1479 2 47 PHE HB2 2 48 GLY H 4.000 . 4.000 3.899 2.834 4.008 0.008 1 0 "[ . 1 . 2 .]" 1
1480 1 47 PHE HB3 1 48 GLY H 2.800 . 2.800 2.740 1.942 2.829 0.029 20 0 "[ . 1 . 2 .]" 1
1481 2 47 PHE HB3 2 48 GLY H 2.800 . 2.800 2.731 1.966 2.826 0.026 6 0 "[ . 1 . 2 .]" 1
1482 1 47 PHE HA 1 85 LEU HB3 5.000 . 5.000 3.590 3.182 3.902 . 0 0 "[ . 1 . 2 .]" 1
1483 2 47 PHE HA 2 85 LEU HB3 5.000 . 5.000 3.642 3.266 3.909 . 0 0 "[ . 1 . 2 .]" 1
1484 1 47 PHE H 1 85 LEU H 5.000 . 5.000 5.099 5.072 5.152 0.152 24 0 "[ . 1 . 2 .]" 1
1485 2 47 PHE H 2 85 LEU H 5.000 . 5.000 5.099 5.041 5.153 0.153 20 0 "[ . 1 . 2 .]" 1
1486 1 47 PHE HA 1 85 LEU H 5.000 . 5.000 3.382 3.123 3.575 . 0 0 "[ . 1 . 2 .]" 1
1487 2 47 PHE HA 2 85 LEU H 5.000 . 5.000 3.357 2.614 3.527 . 0 0 "[ . 1 . 2 .]" 1
1488 1 47 PHE HZ 2 29 PHE QD 4.000 . 6.000 3.453 3.203 3.729 . 0 0 "[ . 1 . 2 .]" 1
1489 1 29 PHE QD 2 47 PHE HZ 4.000 . 6.000 3.430 3.199 3.771 . 0 0 "[ . 1 . 2 .]" 1
1490 1 47 PHE QE 2 29 PHE HB3 4.000 . 6.000 3.533 2.355 3.779 . 0 0 "[ . 1 . 2 .]" 1
1491 1 29 PHE HB3 2 47 PHE QE 4.000 . 6.000 3.535 2.857 3.822 . 0 0 "[ . 1 . 2 .]" 1
1492 1 47 PHE HZ 2 29 PHE HB3 5.000 . 5.000 4.422 3.320 4.799 . 0 0 "[ . 1 . 2 .]" 1
1493 1 29 PHE HB3 2 47 PHE HZ 5.000 . 5.000 4.417 4.088 4.724 . 0 0 "[ . 1 . 2 .]" 1
1494 1 48 GLY H 1 49 ASN H 5.000 . 5.000 4.281 3.521 4.479 . 0 0 "[ . 1 . 2 .]" 1
1495 2 48 GLY H 2 49 ASN H 5.000 . 5.000 4.273 3.598 4.483 . 0 0 "[ . 1 . 2 .]" 1
1496 1 48 GLY QA 1 49 ASN H 3.600 . 4.600 2.103 1.910 2.355 . 0 0 "[ . 1 . 2 .]" 1
1497 2 48 GLY QA 2 49 ASN H 3.600 . 4.600 2.121 1.918 2.409 . 0 0 "[ . 1 . 2 .]" 1
1498 1 48 GLY QA 1 81 PRO HA 4.000 . 5.000 3.231 2.857 4.184 . 0 0 "[ . 1 . 2 .]" 1
1499 2 48 GLY QA 2 81 PRO HA 4.000 . 5.000 3.152 2.686 3.851 . 0 0 "[ . 1 . 2 .]" 1
1500 1 48 GLY H 1 82 GLY H 4.000 . 4.000 4.074 4.031 4.234 0.234 9 0 "[ . 1 . 2 .]" 1
1501 2 48 GLY H 2 82 GLY H 4.000 . 4.000 4.075 4.029 4.228 0.228 4 0 "[ . 1 . 2 .]" 1
1502 1 48 GLY QA 1 82 GLY H 4.000 . 5.000 1.865 1.554 3.386 0.246 20 0 "[ . 1 . 2 .]" 1
1503 2 48 GLY QA 2 82 GLY H 4.000 . 5.000 1.880 1.558 3.196 0.242 6 0 "[ . 1 . 2 .]" 1
1504 1 49 ASN H 1 49 ASN QB 2.800 . 3.800 2.761 2.464 2.990 . 0 0 "[ . 1 . 2 .]" 1
1505 2 49 ASN H 2 49 ASN QB 2.800 . 3.800 2.785 2.400 2.978 . 0 0 "[ . 1 . 2 .]" 1
1506 1 49 ASN QB 1 50 PHE H 5.000 . 6.000 3.939 3.464 4.089 . 0 0 "[ . 1 . 2 .]" 1
1507 2 49 ASN QB 2 50 PHE H 5.000 . 6.000 3.834 3.502 4.062 . 0 0 "[ . 1 . 2 .]" 1
1508 1 49 ASN H 1 50 PHE H 5.000 . 5.000 3.924 3.692 4.213 . 0 0 "[ . 1 . 2 .]" 1
1509 2 49 ASN H 2 50 PHE H 5.000 . 5.000 3.974 3.646 4.365 . 0 0 "[ . 1 . 2 .]" 1
1510 1 49 ASN HA 1 50 PHE H 2.790 . 2.790 2.186 2.109 2.252 . 0 0 "[ . 1 . 2 .]" 1
1511 2 49 ASN HA 2 50 PHE H 2.790 . 2.790 2.188 2.125 2.255 . 0 0 "[ . 1 . 2 .]" 1
1512 1 49 ASN H 1 79 PHE HA 5.000 . 5.000 4.312 3.835 5.135 0.135 9 0 "[ . 1 . 2 .]" 1
1513 2 49 ASN H 2 79 PHE HA 5.000 . 5.000 4.333 3.829 5.119 0.119 6 0 "[ . 1 . 2 .]" 1
1514 1 49 ASN H 1 80 LYS H 3.500 . 3.500 2.807 2.360 3.328 . 0 0 "[ . 1 . 2 .]" 1
1515 2 49 ASN H 2 80 LYS H 3.500 . 3.500 2.814 2.476 3.454 . 0 0 "[ . 1 . 2 .]" 1
1516 1 49 ASN HA 1 80 LYS H 5.000 . 5.000 4.693 4.374 4.799 . 0 0 "[ . 1 . 2 .]" 1
1517 2 49 ASN HA 2 80 LYS H 5.000 . 5.000 4.708 4.564 5.024 0.024 11 0 "[ . 1 . 2 .]" 1
1518 1 49 ASN H 1 80 LYS HB2 3.500 . 3.500 2.268 1.920 3.135 . 0 0 "[ . 1 . 2 .]" 1
1519 2 49 ASN H 2 80 LYS HB2 3.500 . 3.500 2.260 1.869 2.672 . 0 0 "[ . 1 . 2 .]" 1
1520 1 49 ASN H 1 80 LYS HB3 4.000 . 4.000 3.364 1.857 3.553 . 0 0 "[ . 1 . 2 .]" 1
1521 2 49 ASN H 2 80 LYS HB3 4.000 . 4.000 3.368 1.858 3.544 . 0 0 "[ . 1 . 2 .]" 1
1522 1 49 ASN QB 1 80 LYS HB2 4.000 . 5.000 2.466 2.095 5.602 0.602 9 1 "[ . +1 . 2 .]" 1
1523 2 49 ASN QB 2 80 LYS HB2 4.000 . 5.000 2.382 2.057 5.255 0.255 6 0 "[ . 1 . 2 .]" 1
1524 1 49 ASN QB 1 80 LYS HB3 5.000 . 6.000 3.372 3.068 4.437 . 0 0 "[ . 1 . 2 .]" 1
1525 2 49 ASN QB 2 80 LYS HB3 5.000 . 6.000 3.366 2.967 4.259 . 0 0 "[ . 1 . 2 .]" 1
1526 1 49 ASN H 1 81 PRO HA 5.000 . 5.000 4.696 4.289 5.092 0.092 9 0 "[ . 1 . 2 .]" 1
1527 2 49 ASN H 2 81 PRO HA 5.000 . 5.000 4.641 4.198 5.003 0.003 6 0 "[ . 1 . 2 .]" 1
1528 1 49 ASN H 1 82 GLY H 5.000 . 5.000 2.808 2.094 3.303 . 0 0 "[ . 1 . 2 .]" 1
1529 2 49 ASN H 2 82 GLY H 5.000 . 5.000 2.823 2.183 4.060 . 0 0 "[ . 1 . 2 .]" 1
1530 1 50 PHE H 1 50 PHE QD 4.000 . 6.000 2.339 2.055 2.840 . 0 0 "[ . 1 . 2 .]" 1
1531 2 50 PHE H 2 50 PHE QD 4.000 . 6.000 2.437 2.150 4.170 . 0 0 "[ . 1 . 2 .]" 1
1532 1 50 PHE H 1 51 GLU H 5.000 . 5.000 4.610 4.557 4.645 . 0 0 "[ . 1 . 2 .]" 1
1533 2 50 PHE H 2 51 GLU H 5.000 . 5.000 4.579 4.182 4.635 . 0 0 "[ . 1 . 2 .]" 1
1534 1 50 PHE HA 1 51 GLU H 2.790 . 2.790 2.197 2.152 2.283 . 0 0 "[ . 1 . 2 .]" 1
1535 2 50 PHE HA 2 51 GLU H 2.790 . 2.790 2.186 2.062 2.432 . 0 0 "[ . 1 . 2 .]" 1
1536 1 50 PHE HB2 1 51 GLU H 5.000 . 5.000 3.711 3.481 3.956 . 0 0 "[ . 1 . 2 .]" 1
1537 2 50 PHE QB 2 51 GLU H 5.000 . 5.000 2.699 2.452 4.127 . 0 0 "[ . 1 . 2 .]" 1
1538 1 50 PHE HB3 1 51 GLU H 5.000 . 5.000 2.689 2.420 3.328 . 0 0 "[ . 1 . 2 .]" 1
1539 1 50 PHE H 1 51 GLU QB 5.000 . 6.000 5.081 4.982 5.119 . 0 0 "[ . 1 . 2 .]" 1
1540 2 50 PHE H 2 51 GLU QB 5.000 . 6.000 5.081 4.942 5.196 . 0 0 "[ . 1 . 2 .]" 1
1541 1 50 PHE HA 1 78 ALA H 5.000 . 5.000 4.662 4.486 5.014 0.014 20 0 "[ . 1 . 2 .]" 1
1542 2 50 PHE HA 2 78 ALA H 5.000 . 5.000 4.687 4.494 4.970 . 0 0 "[ . 1 . 2 .]" 1
1543 1 50 PHE HA 1 79 PHE HA 2.790 . 2.790 2.135 2.019 2.214 . 0 0 "[ . 1 . 2 .]" 1
1544 2 50 PHE HA 2 79 PHE HA 2.790 . 2.790 2.167 2.041 2.404 . 0 0 "[ . 1 . 2 .]" 1
1545 1 50 PHE HB2 1 79 PHE QD 5.000 . 7.000 5.099 4.817 6.742 . 0 0 "[ . 1 . 2 .]" 1
1546 2 50 PHE QB 2 79 PHE QD 5.000 . 7.000 4.425 3.543 5.767 . 0 0 "[ . 1 . 2 .]" 1
1547 1 50 PHE HB3 1 79 PHE HB2 5.000 . 5.000 4.371 4.167 5.112 0.112 20 0 "[ . 1 . 2 .]" 1
1548 2 50 PHE QB 2 79 PHE HB2 5.000 . 5.000 4.152 4.020 4.846 . 0 0 "[ . 1 . 2 .]" 1
1549 1 50 PHE HA 1 80 LYS H 3.500 . 3.500 2.968 2.626 3.164 . 0 0 "[ . 1 . 2 .]" 1
1550 2 50 PHE HA 2 80 LYS H 3.500 . 3.500 2.998 2.614 3.213 . 0 0 "[ . 1 . 2 .]" 1
1551 1 51 GLU QB 1 52 VAL H 4.000 . 5.000 2.618 2.406 3.006 . 0 0 "[ . 1 . 2 .]" 1
1552 2 51 GLU QB 2 52 VAL H 4.000 . 5.000 2.629 2.359 3.104 . 0 0 "[ . 1 . 2 .]" 1
1553 1 51 GLU H 1 52 VAL H 5.000 . 5.000 4.478 4.238 4.632 . 0 0 "[ . 1 . 2 .]" 1
1554 2 51 GLU H 2 52 VAL H 5.000 . 5.000 4.460 4.269 4.563 . 0 0 "[ . 1 . 2 .]" 1
1555 1 51 GLU HA 1 52 VAL H 2.500 . 2.500 2.377 2.193 2.530 0.030 13 0 "[ . 1 . 2 .]" 1
1556 2 51 GLU HA 2 52 VAL H 2.500 . 2.500 2.391 2.179 2.559 0.059 11 0 "[ . 1 . 2 .]" 1
1557 1 51 GLU H 1 77 PRO HA 5.000 . 5.000 4.534 3.928 5.007 0.007 15 0 "[ . 1 . 2 .]" 1
1558 2 51 GLU H 2 77 PRO HA 5.000 . 5.000 4.658 4.206 5.002 0.002 5 0 "[ . 1 . 2 .]" 1
1559 1 51 GLU H 1 78 ALA H 3.500 . 3.500 3.069 2.799 3.460 . 0 0 "[ . 1 . 2 .]" 1
1560 2 51 GLU H 2 78 ALA H 3.500 . 3.500 3.158 2.860 3.454 . 0 0 "[ . 1 . 2 .]" 1
1561 1 51 GLU QG 1 78 ALA MB 4.000 . 5.300 3.241 2.521 3.614 . 0 0 "[ . 1 . 2 .]" 1
1562 2 51 GLU QG 2 78 ALA MB 4.000 . 5.300 3.304 2.442 3.759 . 0 0 "[ . 1 . 2 .]" 1
1563 1 51 GLU H 1 78 ALA MB 4.000 . 4.300 2.911 2.403 3.249 . 0 0 "[ . 1 . 2 .]" 1
1564 2 51 GLU H 2 78 ALA MB 4.000 . 4.300 2.982 2.769 3.335 . 0 0 "[ . 1 . 2 .]" 1
1565 1 51 GLU H 1 79 PHE HA 4.000 . 4.000 3.819 3.462 4.024 0.024 13 0 "[ . 1 . 2 .]" 1
1566 2 51 GLU H 2 79 PHE HA 4.000 . 4.000 3.826 3.548 3.969 . 0 0 "[ . 1 . 2 .]" 1
1567 1 51 GLU H 1 80 LYS H 4.800 . 4.800 4.757 4.499 4.836 0.036 3 0 "[ . 1 . 2 .]" 1
1568 2 51 GLU H 2 80 LYS H 4.800 . 4.800 4.720 4.330 4.828 0.028 9 0 "[ . 1 . 2 .]" 1
1569 1 52 VAL H 1 52 VAL MG2 4.000 . 4.300 3.411 2.690 3.576 . 0 0 "[ . 1 . 2 .]" 1
1570 2 52 VAL H 2 52 VAL MG2 4.000 . 4.300 3.399 2.119 3.552 . 0 0 "[ . 1 . 2 .]" 1
1571 1 52 VAL H 1 52 VAL MG1 2.800 . 3.100 2.631 2.563 3.064 . 0 0 "[ . 1 . 2 .]" 1
1572 2 52 VAL H 2 52 VAL MG1 2.800 . 3.100 2.624 2.564 3.119 0.019 11 0 "[ . 1 . 2 .]" 1
1573 1 52 VAL HA 1 53 ARG H 2.790 . 2.790 2.337 2.023 2.593 . 0 0 "[ . 1 . 2 .]" 1
1574 2 52 VAL HA 2 53 ARG H 2.790 . 2.790 2.354 2.089 2.562 . 0 0 "[ . 1 . 2 .]" 1
1575 1 52 VAL HA 1 53 ARG QB 5.000 . 6.000 3.929 3.792 4.100 . 0 0 "[ . 1 . 2 .]" 1
1576 2 52 VAL HA 2 53 ARG QB 5.000 . 6.000 3.932 3.780 4.068 . 0 0 "[ . 1 . 2 .]" 1
1577 1 52 VAL MG2 1 53 ARG H 4.000 . 4.300 2.775 2.564 3.407 . 0 0 "[ . 1 . 2 .]" 1
1578 2 52 VAL MG2 2 53 ARG H 4.000 . 4.300 2.725 2.589 3.394 . 0 0 "[ . 1 . 2 .]" 1
1579 1 52 VAL MG1 1 53 ARG H 3.500 . 3.800 2.942 2.724 2.983 . 0 0 "[ . 1 . 2 .]" 1
1580 2 52 VAL MG1 2 53 ARG H 3.500 . 3.800 2.908 2.166 2.996 . 0 0 "[ . 1 . 2 .]" 1
1581 1 52 VAL MG1 1 53 ARG HA 5.000 . 5.300 3.763 3.572 3.899 . 0 0 "[ . 1 . 2 .]" 1
1582 2 52 VAL MG1 2 53 ARG HA 5.000 . 5.300 3.735 3.538 3.978 . 0 0 "[ . 1 . 2 .]" 1
1583 1 52 VAL MG1 1 54 GLU H 4.000 . 4.300 3.293 2.462 3.471 . 0 0 "[ . 1 . 2 .]" 1
1584 2 52 VAL MG1 2 54 GLU H 4.000 . 4.300 3.304 2.890 3.501 . 0 0 "[ . 1 . 2 .]" 1
1585 1 52 VAL MG1 1 75 LYS HA 4.000 . 4.300 3.328 3.157 3.402 . 0 0 "[ . 1 . 2 .]" 1
1586 2 52 VAL MG1 2 75 LYS HA 4.000 . 4.300 3.325 3.124 3.391 . 0 0 "[ . 1 . 2 .]" 1
1587 1 52 VAL MG1 1 75 LYS HB2 3.500 . 3.800 3.074 3.002 3.124 . 0 0 "[ . 1 . 2 .]" 1
1588 2 52 VAL MG1 2 75 LYS HB2 3.500 . 3.800 3.055 2.700 3.096 . 0 0 "[ . 1 . 2 .]" 1
1589 1 52 VAL MG1 1 75 LYS HB3 2.800 . 3.100 1.971 1.911 2.457 . 0 0 "[ . 1 . 2 .]" 1
1590 2 52 VAL MG1 2 75 LYS HB3 2.800 . 3.100 1.953 1.928 2.007 . 0 0 "[ . 1 . 2 .]" 1
1591 1 52 VAL MG2 1 76 VAL HA 5.000 . 5.300 3.884 3.591 4.210 . 0 0 "[ . 1 . 2 .]" 1
1592 2 52 VAL MG2 2 76 VAL HA 5.000 . 5.300 3.856 3.629 4.202 . 0 0 "[ . 1 . 2 .]" 1
1593 1 52 VAL HA 1 76 VAL H 4.800 . 4.800 4.149 3.556 4.489 . 0 0 "[ . 1 . 2 .]" 1
1594 2 52 VAL HA 2 76 VAL H 4.800 . 4.800 4.190 3.944 4.440 . 0 0 "[ . 1 . 2 .]" 1
1595 1 52 VAL HA 1 77 PRO HA 2.800 . 2.800 2.468 2.193 2.770 . 0 0 "[ . 1 . 2 .]" 1
1596 2 52 VAL HA 2 77 PRO HA 2.800 . 2.800 2.494 2.204 2.761 . 0 0 "[ . 1 . 2 .]" 1
1597 1 52 VAL MG2 1 77 PRO HA 5.000 . 5.300 2.605 2.225 3.194 . 0 0 "[ . 1 . 2 .]" 1
1598 2 52 VAL MG2 2 77 PRO HA 5.000 . 5.300 2.531 2.218 3.113 . 0 0 "[ . 1 . 2 .]" 1
1599 1 52 VAL HB 1 77 PRO QB 5.000 . 6.000 4.978 4.637 5.263 . 0 0 "[ . 1 . 2 .]" 1
1600 2 52 VAL HB 2 77 PRO QB 5.000 . 6.000 5.015 4.696 5.257 . 0 0 "[ . 1 . 2 .]" 1
1601 1 52 VAL MG2 1 77 PRO QB 5.000 . 6.300 2.796 2.249 3.010 . 0 0 "[ . 1 . 2 .]" 1
1602 2 52 VAL MG2 2 77 PRO QB 5.000 . 6.300 2.811 2.538 3.073 . 0 0 "[ . 1 . 2 .]" 1
1603 1 52 VAL MG2 1 77 PRO QD 5.000 . 6.300 3.382 2.913 3.786 . 0 0 "[ . 1 . 2 .]" 1
1604 2 52 VAL MG2 2 77 PRO QD 5.000 . 6.300 3.414 3.166 3.832 . 0 0 "[ . 1 . 2 .]" 1
1605 1 52 VAL MG2 2 89 VAL HB 5.500 . 5.800 4.267 2.869 4.631 . 0 0 "[ . 1 . 2 .]" 1
1606 1 89 VAL HB 2 52 VAL MG2 5.500 . 5.800 4.326 4.106 4.528 . 0 0 "[ . 1 . 2 .]" 1
1607 1 52 VAL MG2 1 78 ALA H 5.300 . 5.600 3.964 3.501 4.542 . 0 0 "[ . 1 . 2 .]" 1
1608 2 52 VAL MG2 2 78 ALA H 5.300 . 5.600 3.880 3.473 4.446 . 0 0 "[ . 1 . 2 .]" 1
1609 1 52 VAL HA 1 78 ALA H 3.500 . 3.500 3.282 3.119 3.421 . 0 0 "[ . 1 . 2 .]" 1
1610 2 52 VAL HA 2 78 ALA H 3.500 . 3.500 3.252 3.112 3.574 0.074 11 0 "[ . 1 . 2 .]" 1
1611 1 53 ARG H 1 53 ARG QB 2.800 . 3.800 2.546 2.149 2.738 . 0 0 "[ . 1 . 2 .]" 1
1612 2 53 ARG H 2 53 ARG QB 2.800 . 3.800 2.559 2.180 2.737 . 0 0 "[ . 1 . 2 .]" 1
1613 1 53 ARG H 1 54 GLU H 4.800 . 4.800 3.874 2.529 4.099 . 0 0 "[ . 1 . 2 .]" 1
1614 2 53 ARG H 2 54 GLU H 4.800 . 4.800 3.914 2.821 4.136 . 0 0 "[ . 1 . 2 .]" 1
1615 1 53 ARG QG 1 54 GLU H 3.600 . 4.600 3.692 2.414 4.314 . 0 0 "[ . 1 . 2 .]" 1
1616 2 53 ARG QG 2 54 GLU H 3.600 . 4.600 3.693 2.581 3.889 . 0 0 "[ . 1 . 2 .]" 1
1617 1 53 ARG HA 1 54 GLU H 2.790 . 2.790 2.277 2.119 3.019 0.229 23 0 "[ . 1 . 2 .]" 1
1618 2 53 ARG HA 2 54 GLU H 2.790 . 2.790 2.240 2.132 3.012 0.222 17 0 "[ . 1 . 2 .]" 1
1619 1 53 ARG H 1 75 LYS HA 4.000 . 4.000 3.476 3.062 4.055 0.055 13 0 "[ . 1 . 2 .]" 1
1620 2 53 ARG H 2 75 LYS HA 4.000 . 4.000 3.489 3.104 3.796 . 0 0 "[ . 1 . 2 .]" 1
1621 1 53 ARG HA 1 76 VAL H 5.000 . 5.000 4.265 4.039 4.628 . 0 0 "[ . 1 . 2 .]" 1
1622 2 53 ARG HA 2 76 VAL H 5.000 . 5.000 4.270 4.043 4.557 . 0 0 "[ . 1 . 2 .]" 1
1623 1 53 ARG H 1 76 VAL H 2.800 . 2.800 2.132 1.954 2.427 . 0 0 "[ . 1 . 2 .]" 1
1624 2 53 ARG H 2 76 VAL H 2.800 . 2.800 2.139 1.938 2.400 . 0 0 "[ . 1 . 2 .]" 1
1625 1 53 ARG H 1 76 VAL HA 5.000 . 5.000 4.125 3.699 4.435 . 0 0 "[ . 1 . 2 .]" 1
1626 2 53 ARG H 2 76 VAL HA 5.000 . 5.000 4.156 3.736 4.423 . 0 0 "[ . 1 . 2 .]" 1
1627 1 53 ARG H 1 76 VAL HB 5.000 . 5.000 3.548 2.731 4.645 . 0 0 "[ . 1 . 2 .]" 1
1628 2 53 ARG H 2 76 VAL HB 5.000 . 5.000 3.527 3.081 4.635 . 0 0 "[ . 1 . 2 .]" 1
1629 1 53 ARG H 1 76 VAL MG2 5.000 . 5.300 4.264 3.260 4.616 . 0 0 "[ . 1 . 2 .]" 1
1630 2 53 ARG H 2 76 VAL MG2 5.000 . 5.300 4.326 3.264 4.620 . 0 0 "[ . 1 . 2 .]" 1
1631 1 53 ARG H 1 76 VAL MG1 4.000 . 4.300 3.268 2.274 3.738 . 0 0 "[ . 1 . 2 .]" 1
1632 2 53 ARG H 2 76 VAL MG1 4.000 . 4.300 3.248 2.501 3.717 . 0 0 "[ . 1 . 2 .]" 1
1633 1 53 ARG QG 1 76 VAL MG1 4.000 . 5.300 3.637 3.193 3.853 . 0 0 "[ . 1 . 2 .]" 1
1634 2 53 ARG QG 2 76 VAL MG1 4.000 . 5.300 3.598 3.139 3.845 . 0 0 "[ . 1 . 2 .]" 1
1635 1 53 ARG QG 1 76 VAL MG2 5.500 . 6.800 4.217 2.108 5.012 . 0 0 "[ . 1 . 2 .]" 1
1636 2 53 ARG QG 2 76 VAL MG2 5.500 . 6.800 4.321 2.394 5.055 . 0 0 "[ . 1 . 2 .]" 1
1637 1 53 ARG QB 1 76 VAL MG2 4.000 . 5.300 3.238 1.753 3.882 0.047 4 0 "[ . 1 . 2 .]" 1
1638 2 53 ARG QB 2 76 VAL MG2 4.000 . 5.300 3.327 1.736 3.872 0.064 14 0 "[ . 1 . 2 .]" 1
1639 1 53 ARG QB 1 76 VAL H 5.000 . 6.000 2.834 2.160 4.052 . 0 0 "[ . 1 . 2 .]" 1
1640 2 53 ARG QB 2 76 VAL H 5.000 . 6.000 2.856 2.301 3.316 . 0 0 "[ . 1 . 2 .]" 1
1641 1 53 ARG QB 1 76 VAL MG1 2.800 . 4.100 2.149 1.845 2.623 . 0 0 "[ . 1 . 2 .]" 1
1642 2 53 ARG QB 2 76 VAL MG1 2.800 . 4.100 2.125 1.850 2.593 . 0 0 "[ . 1 . 2 .]" 1
1643 1 53 ARG QG 1 76 VAL HB 5.500 . 6.500 4.326 3.678 5.115 . 0 0 "[ . 1 . 2 .]" 1
1644 2 53 ARG QG 2 76 VAL HB 5.500 . 6.500 4.289 3.424 5.328 . 0 0 "[ . 1 . 2 .]" 1
1645 1 53 ARG QB 1 76 VAL HB 2.800 . 3.800 2.662 2.128 3.691 . 0 0 "[ . 1 . 2 .]" 1
1646 2 53 ARG QB 2 76 VAL HB 2.800 . 3.800 2.625 2.133 3.721 . 0 0 "[ . 1 . 2 .]" 1
1647 1 53 ARG H 1 77 PRO HA 4.000 . 4.000 4.034 3.895 4.111 0.111 13 0 "[ . 1 . 2 .]" 1
1648 2 53 ARG H 2 77 PRO HA 4.000 . 4.000 4.039 3.959 4.081 0.081 18 0 "[ . 1 . 2 .]" 1
1649 1 53 ARG H 1 78 ALA H 5.000 . 5.000 5.002 4.412 5.050 0.050 1 0 "[ . 1 . 2 .]" 1
1650 2 53 ARG H 2 78 ALA H 5.000 . 5.000 5.017 4.826 5.047 0.047 3 0 "[ . 1 . 2 .]" 1
1651 1 53 ARG QB 1 78 ALA MB 4.000 . 5.300 3.726 3.473 3.847 . 0 0 "[ . 1 . 2 .]" 1
1652 2 53 ARG QB 2 78 ALA MB 4.000 . 5.300 3.727 3.516 3.866 . 0 0 "[ . 1 . 2 .]" 1
1653 1 54 GLU H 1 54 GLU QB 2.800 . 3.800 2.528 2.288 3.416 . 0 0 "[ . 1 . 2 .]" 1
1654 2 54 GLU H 2 54 GLU QB 2.800 . 3.800 2.585 2.262 3.409 . 0 0 "[ . 1 . 2 .]" 1
1655 1 54 GLU H 1 54 GLU QG 4.000 . 5.000 3.666 2.162 4.534 . 0 0 "[ . 1 . 2 .]" 1
1656 2 54 GLU H 2 54 GLU QG 4.000 . 5.000 3.263 2.205 4.444 . 0 0 "[ . 1 . 2 .]" 1
1657 1 54 GLU H 1 55 ARG H 4.800 . 4.800 4.428 3.004 4.801 0.001 16 0 "[ . 1 . 2 .]" 1
1658 2 54 GLU H 2 55 ARG H 4.800 . 4.800 4.455 3.272 4.707 . 0 0 "[ . 1 . 2 .]" 1
1659 1 54 GLU HA 1 55 ARG H 2.790 . 2.790 2.152 2.075 2.354 . 0 0 "[ . 1 . 2 .]" 1
1660 2 54 GLU HA 2 55 ARG H 2.790 . 2.790 2.148 2.074 2.391 . 0 0 "[ . 1 . 2 .]" 1
1661 1 54 GLU QB 1 55 ARG H 4.000 . 5.000 3.720 3.029 4.164 . 0 0 "[ . 1 . 2 .]" 1
1662 2 54 GLU QB 2 55 ARG H 4.000 . 5.000 3.585 3.022 4.123 . 0 0 "[ . 1 . 2 .]" 1
1663 1 54 GLU QG 1 55 ARG H 4.000 . 5.000 3.525 1.696 4.530 0.104 13 0 "[ . 1 . 2 .]" 1
1664 2 54 GLU QG 2 55 ARG H 4.000 . 5.000 3.933 2.805 4.522 . 0 0 "[ . 1 . 2 .]" 1
1665 1 54 GLU QG 1 55 ARG HA 5.000 . 6.000 4.722 2.821 5.298 . 0 0 "[ . 1 . 2 .]" 1
1666 2 54 GLU QG 2 55 ARG HA 5.000 . 6.000 4.816 4.194 5.259 . 0 0 "[ . 1 . 2 .]" 1
1667 1 54 GLU HA 1 75 LYS QD 5.000 . 6.000 4.832 4.403 5.839 . 0 0 "[ . 1 . 2 .]" 1
1668 2 54 GLU HA 2 75 LYS QD 5.000 . 6.000 4.563 2.281 5.200 . 0 0 "[ . 1 . 2 .]" 1
1669 1 54 GLU H 1 75 LYS HA 5.000 . 5.000 3.854 2.704 4.266 . 0 0 "[ . 1 . 2 .]" 1
1670 2 54 GLU H 2 75 LYS HA 5.000 . 5.000 3.922 2.968 4.398 . 0 0 "[ . 1 . 2 .]" 1
1671 1 54 GLU QB 1 75 LYS QG 5.500 . 7.500 3.178 2.263 4.845 . 0 0 "[ . 1 . 2 .]" 1
1672 2 54 GLU QB 2 75 LYS QG 5.500 . 7.500 3.009 2.268 4.447 . 0 0 "[ . 1 . 2 .]" 1
1673 1 54 GLU HA 1 75 LYS QG 5.000 . 6.000 3.214 2.504 5.521 . 0 0 "[ . 1 . 2 .]" 1
1674 2 54 GLU HA 2 75 LYS QG 5.000 . 6.000 3.133 2.578 4.224 . 0 0 "[ . 1 . 2 .]" 1
1675 1 54 GLU HA 1 75 LYS HA 2.790 . 2.790 2.319 2.086 3.216 0.426 13 0 "[ . 1 . 2 .]" 1
1676 2 54 GLU HA 2 75 LYS HA 2.790 . 2.790 2.249 2.046 2.799 0.009 14 0 "[ . 1 . 2 .]" 1
1677 1 54 GLU QG 1 75 LYS QG 5.500 . 7.500 3.640 2.251 5.069 . 0 0 "[ . 1 . 2 .]" 1
1678 2 54 GLU QG 2 75 LYS QG 5.500 . 7.500 4.006 2.353 5.968 . 0 0 "[ . 1 . 2 .]" 1
1679 1 54 GLU QG 1 75 LYS QD 5.000 . 7.000 4.757 3.979 5.453 . 0 0 "[ . 1 . 2 .]" 1
1680 2 54 GLU QG 2 75 LYS QD 5.000 . 7.000 4.872 3.681 5.591 . 0 0 "[ . 1 . 2 .]" 1
1681 1 54 GLU HA 1 76 VAL H 4.000 . 4.000 3.916 3.656 4.121 0.121 13 0 "[ . 1 . 2 .]" 1
1682 2 54 GLU HA 2 76 VAL H 4.000 . 4.000 3.864 3.564 4.017 0.017 25 0 "[ . 1 . 2 .]" 1
1683 1 55 ARG H 1 55 ARG QB 2.800 . 3.800 2.341 2.077 3.102 . 0 0 "[ . 1 . 2 .]" 1
1684 2 55 ARG H 2 55 ARG QB 2.800 . 3.800 2.338 1.998 2.990 . 0 0 "[ . 1 . 2 .]" 1
1685 1 55 ARG H 1 56 ALA H 5.000 . 5.000 4.503 2.813 4.693 . 0 0 "[ . 1 . 2 .]" 1
1686 2 55 ARG H 2 56 ALA H 5.000 . 5.000 4.476 2.687 4.713 . 0 0 "[ . 1 . 2 .]" 1
1687 1 55 ARG HA 1 56 ALA H 2.790 . 2.790 2.216 2.109 2.809 0.019 15 0 "[ . 1 . 2 .]" 1
1688 2 55 ARG HA 2 56 ALA H 2.790 . 2.790 2.232 1.974 3.069 0.279 7 0 "[ . 1 . 2 .]" 1
1689 1 55 ARG QB 1 56 ALA H 5.000 . 6.000 3.541 2.007 3.970 . 0 0 "[ . 1 . 2 .]" 1
1690 2 55 ARG QB 2 56 ALA H 5.000 . 6.000 3.472 2.289 4.042 . 0 0 "[ . 1 . 2 .]" 1
1691 1 55 ARG QG 1 56 ALA H 3.500 . 4.500 2.928 2.353 4.007 . 0 0 "[ . 1 . 2 .]" 1
1692 2 55 ARG QG 2 56 ALA H 3.500 . 4.500 2.879 2.083 4.139 . 0 0 "[ . 1 . 2 .]" 1
1693 1 55 ARG QG 1 56 ALA HA 5.000 . 6.000 4.515 2.909 5.190 . 0 0 "[ . 1 . 2 .]" 1
1694 2 55 ARG QG 2 56 ALA HA 5.000 . 6.000 4.447 3.070 5.179 . 0 0 "[ . 1 . 2 .]" 1
1695 1 55 ARG QD 1 56 ALA H 4.000 . 5.000 3.587 2.327 4.610 . 0 0 "[ . 1 . 2 .]" 1
1696 2 55 ARG QD 2 56 ALA H 4.000 . 5.000 4.003 2.100 4.543 . 0 0 "[ . 1 . 2 .]" 1
1697 1 55 ARG H 1 73 ALA HA 5.000 . 5.000 4.235 3.077 5.009 0.009 13 0 "[ . 1 . 2 .]" 1
1698 2 55 ARG H 2 73 ALA HA 5.000 . 5.000 4.222 2.979 5.165 0.165 22 0 "[ . 1 . 2 .]" 1
1699 1 55 ARG QG 1 73 ALA HA 5.000 . 6.000 3.615 2.096 5.166 . 0 0 "[ . 1 . 2 .]" 1
1700 2 55 ARG QG 2 73 ALA HA 5.000 . 6.000 3.912 2.319 5.302 . 0 0 "[ . 1 . 2 .]" 1
1701 1 55 ARG H 1 73 ALA MB 4.000 . 4.300 3.287 2.935 3.631 . 0 0 "[ . 1 . 2 .]" 1
1702 2 55 ARG H 2 73 ALA MB 4.000 . 4.300 3.294 3.214 3.676 . 0 0 "[ . 1 . 2 .]" 1
1703 1 55 ARG H 1 74 SER H 3.500 . 3.500 2.634 1.838 3.511 0.011 13 0 "[ . 1 . 2 .]" 1
1704 2 55 ARG H 2 74 SER H 3.500 . 3.500 2.567 1.959 3.532 0.032 22 0 "[ . 1 . 2 .]" 1
1705 1 55 ARG QG 1 74 SER H 5.000 . 6.000 3.784 2.219 4.676 . 0 0 "[ . 1 . 2 .]" 1
1706 2 55 ARG QG 2 74 SER H 5.000 . 6.000 3.896 1.902 4.924 . 0 0 "[ . 1 . 2 .]" 1
1707 1 55 ARG HA 1 74 SER H 9.000 3.500 9.000 4.432 3.382 4.806 0.118 22 0 "[ . 1 . 2 .]" 1
1708 2 55 ARG HA 2 74 SER H 9.000 3.500 9.000 4.390 3.439 4.900 0.061 22 0 "[ . 1 . 2 .]" 1
1709 1 55 ARG QB 1 74 SER H 4.000 . 5.000 2.278 1.575 4.518 0.225 16 0 "[ . 1 . 2 .]" 1
1710 2 55 ARG QB 2 74 SER H 4.000 . 5.000 2.322 1.672 4.455 0.128 14 0 "[ . 1 . 2 .]" 1
1711 1 55 ARG QG 1 74 SER QB 4.800 . 6.800 4.913 3.822 5.439 . 0 0 "[ . 1 . 2 .]" 1
1712 2 55 ARG QG 2 74 SER QB 4.800 . 6.800 4.665 3.101 5.507 . 0 0 "[ . 1 . 2 .]" 1
1713 1 55 ARG H 1 75 LYS H 5.000 . 5.000 4.629 3.966 5.021 0.021 25 0 "[ . 1 . 2 .]" 1
1714 2 55 ARG H 2 75 LYS H 5.000 . 5.000 4.562 3.853 5.100 0.100 14 0 "[ . 1 . 2 .]" 1
1715 1 55 ARG H 1 75 LYS HA 3.600 . 3.600 3.446 2.833 3.646 0.046 16 0 "[ . 1 . 2 .]" 1
1716 2 55 ARG H 2 75 LYS HA 3.600 . 3.600 3.364 2.478 3.649 0.049 4 0 "[ . 1 . 2 .]" 1
1717 1 55 ARG H 1 75 LYS QG 5.000 . 6.000 4.520 3.717 4.899 . 0 0 "[ . 1 . 2 .]" 1
1718 2 55 ARG H 2 75 LYS QG 5.000 . 6.000 4.444 2.994 5.129 . 0 0 "[ . 1 . 2 .]" 1
1719 1 55 ARG QB 1 76 VAL HB 5.000 . 6.000 4.799 3.738 5.646 . 0 0 "[ . 1 . 2 .]" 1
1720 2 55 ARG QB 2 76 VAL HB 5.000 . 6.000 4.675 3.410 5.432 . 0 0 "[ . 1 . 2 .]" 1
1721 1 55 ARG H 1 76 VAL MG2 5.500 . 5.800 4.707 4.654 4.868 . 0 0 "[ . 1 . 2 .]" 1
1722 2 55 ARG H 2 76 VAL MG2 5.500 . 5.800 4.703 4.644 4.792 . 0 0 "[ . 1 . 2 .]" 1
1723 1 56 ALA H 1 56 ALA MB 2.800 . 3.100 2.422 2.288 2.839 . 0 0 "[ . 1 . 2 .]" 1
1724 2 56 ALA H 2 56 ALA MB 2.800 . 3.100 2.416 2.302 2.675 . 0 0 "[ . 1 . 2 .]" 1
1725 1 56 ALA H 1 57 ALA H 5.000 . 5.000 3.857 1.963 4.460 . 0 0 "[ . 1 . 2 .]" 1
1726 2 56 ALA H 2 57 ALA H 5.000 . 5.000 3.912 2.336 4.615 . 0 0 "[ . 1 . 2 .]" 1
1727 1 56 ALA HA 1 57 ALA H 2.800 . 2.800 2.375 2.113 3.058 0.258 15 0 "[ . 1 . 2 .]" 1
1728 2 56 ALA HA 2 57 ALA H 2.800 . 2.800 2.343 2.040 2.917 0.117 22 0 "[ . 1 . 2 .]" 1
1729 1 56 ALA MB 1 57 ALA H 5.000 . 5.300 3.546 1.943 3.823 . 0 0 "[ . 1 . 2 .]" 1
1730 2 56 ALA MB 2 57 ALA H 5.000 . 5.300 3.588 2.983 3.806 . 0 0 "[ . 1 . 2 .]" 1
1731 1 57 ALA H 1 57 ALA MB 2.800 . 3.100 2.392 2.144 2.636 . 0 0 "[ . 1 . 2 .]" 1
1732 2 57 ALA H 2 57 ALA MB 2.800 . 3.100 2.339 2.222 2.607 . 0 0 "[ . 1 . 2 .]" 1
1733 1 57 ALA H 1 58 ARG H 5.000 . 5.000 4.323 3.622 4.604 . 0 0 "[ . 1 . 2 .]" 1
1734 2 57 ALA H 2 58 ARG H 5.000 . 5.000 4.481 3.843 4.840 . 0 0 "[ . 1 . 2 .]" 1
1735 1 57 ALA HA 1 58 ARG H 2.790 . 2.790 2.014 1.933 2.277 . 0 0 "[ . 1 . 2 .]" 1
1736 2 57 ALA HA 2 58 ARG H 2.790 . 2.790 2.073 1.953 2.722 . 0 0 "[ . 1 . 2 .]" 1
1737 1 57 ALA HA 1 58 ARG HA 4.000 . 4.000 4.229 3.761 4.297 0.297 24 0 "[ . 1 . 2 .]" 1
1738 2 57 ALA HA 2 58 ARG HA 4.000 . 4.000 4.233 4.029 4.291 0.291 21 0 "[ . 1 . 2 .]" 1
1739 1 57 ALA MB 1 58 ARG H 4.000 . 4.300 3.192 2.883 3.660 . 0 0 "[ . 1 . 2 .]" 1
1740 2 57 ALA MB 2 58 ARG H 4.000 . 4.300 3.070 1.877 3.671 . 0 0 "[ . 1 . 2 .]" 1
1741 1 57 ALA HA 1 71 ILE H 5.500 . 5.500 4.933 4.378 5.282 . 0 0 "[ . 1 . 2 .]" 1
1742 2 57 ALA HA 2 71 ILE H 5.500 . 5.500 4.908 4.070 5.756 0.256 9 0 "[ . 1 . 2 .]" 1
1743 1 57 ALA HA 1 71 ILE HB 5.000 . 5.000 4.064 2.491 4.560 . 0 0 "[ . 1 . 2 .]" 1
1744 2 57 ALA HA 2 71 ILE HB 5.000 . 5.000 4.154 2.753 4.666 . 0 0 "[ . 1 . 2 .]" 1
1745 1 57 ALA MB 1 72 PRO HA 4.000 . 4.300 2.768 2.209 3.461 . 0 0 "[ . 1 . 2 .]" 1
1746 2 57 ALA MB 2 72 PRO HA 4.000 . 4.300 2.754 2.004 3.581 . 0 0 "[ . 1 . 2 .]" 1
1747 1 57 ALA HA 1 72 PRO HA 4.000 . 4.000 3.719 2.091 4.065 0.065 19 0 "[ . 1 . 2 .]" 1
1748 2 57 ALA HA 2 72 PRO HA 4.000 . 4.000 3.839 2.571 4.087 0.087 5 0 "[ . 1 . 2 .]" 1
1749 1 57 ALA H 1 73 ALA HA 5.000 . 5.000 3.564 2.566 5.019 0.019 13 0 "[ . 1 . 2 .]" 1
1750 2 57 ALA H 2 73 ALA HA 5.000 . 5.000 3.542 2.963 4.815 . 0 0 "[ . 1 . 2 .]" 1
1751 1 57 ALA H 1 74 SER H 5.000 . 5.000 5.062 4.761 5.233 0.233 16 0 "[ . 1 . 2 .]" 1
1752 2 57 ALA H 2 74 SER H 5.000 . 5.000 5.075 4.893 5.159 0.159 9 0 "[ . 1 . 2 .]" 1
1753 1 58 ARG H 1 58 ARG QG 3.500 . 4.500 2.577 2.119 4.174 . 0 0 "[ . 1 . 2 .]" 1
1754 2 58 ARG H 2 58 ARG QG 3.500 . 4.500 2.511 2.098 2.803 . 0 0 "[ . 1 . 2 .]" 1
1755 1 58 ARG H 1 58 ARG HB3 4.000 . 4.000 3.824 3.081 4.171 0.171 1 0 "[ . 1 . 2 .]" 1
1756 2 58 ARG H 2 58 ARG HB3 4.000 . 4.000 3.827 3.690 4.036 0.036 14 0 "[ . 1 . 2 .]" 1
1757 1 58 ARG H 1 59 LYS H 5.000 . 5.000 4.398 3.423 4.609 . 0 0 "[ . 1 . 2 .]" 1
1758 2 58 ARG H 2 59 LYS H 5.000 . 5.000 4.428 3.877 4.560 . 0 0 "[ . 1 . 2 .]" 1
1759 1 58 ARG HB3 1 59 LYS H 2.800 . 2.800 2.045 1.569 2.347 0.231 16 0 "[ . 1 . 2 .]" 1
1760 2 58 ARG HB3 2 59 LYS H 2.800 . 2.800 2.111 1.900 3.771 0.971 12 2 "[ . 1 + -. 2 .]" 1
1761 1 58 ARG HA 1 59 LYS H 2.790 . 2.790 2.718 1.831 2.903 0.113 16 0 "[ . 1 . 2 .]" 1
1762 2 58 ARG HA 2 59 LYS H 2.790 . 2.790 2.724 2.087 2.900 0.110 5 0 "[ . 1 . 2 .]" 1
1763 1 58 ARG QG 1 59 LYS H 5.000 . 6.000 3.970 2.145 4.253 . 0 0 "[ . 1 . 2 .]" 1
1764 2 58 ARG QG 2 59 LYS H 5.000 . 6.000 4.059 3.988 4.419 . 0 0 "[ . 1 . 2 .]" 1
1765 1 58 ARG H 1 71 ILE HA 5.000 . 5.000 4.746 4.083 5.109 0.109 19 0 "[ . 1 . 2 .]" 1
1766 2 58 ARG H 2 71 ILE HA 5.000 . 5.000 4.705 3.991 4.988 . 0 0 "[ . 1 . 2 .]" 1
1767 1 58 ARG H 1 71 ILE H 3.500 . 3.500 3.493 3.210 3.560 0.060 16 0 "[ . 1 . 2 .]" 1
1768 2 58 ARG H 2 71 ILE H 3.500 . 3.500 3.378 2.576 3.544 0.044 20 0 "[ . 1 . 2 .]" 1
1769 1 58 ARG H 1 71 ILE HB 2.800 . 2.800 2.439 1.823 2.803 0.003 2 0 "[ . 1 . 2 .]" 1
1770 2 58 ARG H 2 71 ILE HB 2.800 . 2.800 2.426 1.779 2.815 0.021 12 0 "[ . 1 . 2 .]" 1
1771 1 58 ARG H 1 71 ILE MG 4.000 . 4.300 3.287 2.017 3.643 . 0 0 "[ . 1 . 2 .]" 1
1772 2 58 ARG H 2 71 ILE MG 4.000 . 4.300 3.401 2.308 3.775 . 0 0 "[ . 1 . 2 .]" 1
1773 1 58 ARG HA 1 71 ILE H 5.000 . 5.000 4.610 1.999 5.037 0.037 13 0 "[ . 1 . 2 .]" 1
1774 2 58 ARG HA 2 71 ILE H 5.000 . 5.000 4.550 2.909 4.807 . 0 0 "[ . 1 . 2 .]" 1
1775 1 58 ARG QG 1 71 ILE H 5.000 . 6.000 4.895 2.453 5.233 . 0 0 "[ . 1 . 2 .]" 1
1776 2 58 ARG QG 2 71 ILE H 5.000 . 6.000 4.969 4.584 5.246 . 0 0 "[ . 1 . 2 .]" 1
1777 1 58 ARG QG 1 71 ILE MG 4.000 . 5.300 3.333 2.360 4.068 . 0 0 "[ . 1 . 2 .]" 1
1778 2 58 ARG QG 2 71 ILE MG 4.000 . 5.300 3.502 2.952 3.873 . 0 0 "[ . 1 . 2 .]" 1
1779 1 58 ARG QG 1 71 ILE HB 2.800 . 3.800 3.303 3.111 3.739 . 0 0 "[ . 1 . 2 .]" 1
1780 2 58 ARG QG 2 71 ILE HB 2.800 . 3.800 3.334 2.892 3.685 . 0 0 "[ . 1 . 2 .]" 1
1781 1 58 ARG HB3 1 71 ILE MD 5.000 . 5.300 3.464 2.112 5.074 . 0 0 "[ . 1 . 2 .]" 1
1782 2 58 ARG HB3 2 71 ILE MD 5.000 . 5.300 3.520 3.005 5.465 0.165 12 0 "[ . 1 . 2 .]" 1
1783 1 59 LYS HA 1 60 GLY H 2.790 . 2.790 2.166 2.081 2.482 . 0 0 "[ . 1 . 2 .]" 1
1784 2 59 LYS HA 2 60 GLY H 2.790 . 2.790 2.144 2.050 2.552 . 0 0 "[ . 1 . 2 .]" 1
1785 1 59 LYS HA 1 60 GLY QA 5.000 . 6.000 4.007 3.759 4.068 . 0 0 "[ . 1 . 2 .]" 1
1786 2 59 LYS HA 2 60 GLY QA 5.000 . 6.000 4.025 3.982 4.244 . 0 0 "[ . 1 . 2 .]" 1
1787 1 59 LYS H 1 60 GLY H 5.000 . 5.000 4.003 3.362 4.330 . 0 0 "[ . 1 . 2 .]" 1
1788 2 59 LYS H 2 60 GLY H 5.000 . 5.000 4.045 3.673 4.444 . 0 0 "[ . 1 . 2 .]" 1
1789 1 59 LYS QB 1 60 GLY H 3.500 . 4.500 3.594 2.919 4.022 . 0 0 "[ . 1 . 2 .]" 1
1790 2 59 LYS QB 2 60 GLY H 3.500 . 4.500 3.660 3.119 4.007 . 0 0 "[ . 1 . 2 .]" 1
1791 1 59 LYS HA 1 70 GLU HA 2.790 . 2.790 2.336 2.062 2.941 0.151 19 0 "[ . 1 . 2 .]" 1
1792 2 59 LYS HA 2 70 GLU HA 2.790 . 2.790 2.304 2.077 2.802 0.012 8 0 "[ . 1 . 2 .]" 1
1793 1 59 LYS HA 1 70 GLU H 5.000 . 5.000 4.779 4.408 5.053 0.053 19 0 "[ . 1 . 2 .]" 1
1794 2 59 LYS HA 2 70 GLU H 5.000 . 5.000 4.781 4.431 5.054 0.054 8 0 "[ . 1 . 2 .]" 1
1795 1 59 LYS HA 1 71 ILE H 4.000 . 4.000 2.897 2.046 3.980 . 0 0 "[ . 1 . 2 .]" 1
1796 2 59 LYS HA 2 71 ILE H 4.000 . 4.000 3.004 2.482 3.672 . 0 0 "[ . 1 . 2 .]" 1
1797 1 59 LYS HA 1 71 ILE MD 5.000 . 5.300 3.689 2.659 4.391 . 0 0 "[ . 1 . 2 .]" 1
1798 2 59 LYS HA 2 71 ILE MD 5.000 . 5.300 3.777 2.764 4.338 . 0 0 "[ . 1 . 2 .]" 1
1799 1 60 GLY H 1 61 ARG H 5.000 . 5.000 3.669 2.343 4.436 . 0 0 "[ . 1 . 2 .]" 1
1800 2 60 GLY H 2 61 ARG H 5.000 . 5.000 3.978 2.401 4.524 . 0 0 "[ . 1 . 2 .]" 1
1801 1 60 GLY H 1 61 ARG HA 5.000 . 5.000 4.678 3.918 5.032 0.032 8 0 "[ . 1 . 2 .]" 1
1802 2 60 GLY H 2 61 ARG HA 5.000 . 5.000 4.770 4.470 5.053 0.053 5 0 "[ . 1 . 2 .]" 1
1803 1 60 GLY QA 1 61 ARG H 2.790 . 3.790 2.186 2.099 2.355 . 0 0 "[ . 1 . 2 .]" 1
1804 2 60 GLY QA 2 61 ARG H 2.790 . 3.790 2.157 2.086 2.342 . 0 0 "[ . 1 . 2 .]" 1
1805 1 60 GLY QA 1 61 ARG QG 5.000 . 7.000 4.529 3.138 5.594 . 0 0 "[ . 1 . 2 .]" 1
1806 2 60 GLY QA 2 61 ARG QG 5.000 . 7.000 4.957 3.530 5.594 . 0 0 "[ . 1 . 2 .]" 1
1807 1 60 GLY H 1 69 MET H 3.500 . 3.500 3.468 2.696 3.705 0.205 13 0 "[ . 1 . 2 .]" 1
1808 2 60 GLY H 2 69 MET H 3.500 . 3.500 3.503 3.035 3.633 0.133 16 0 "[ . 1 . 2 .]" 1
1809 1 60 GLY H 1 69 MET ME 22.800 2.800 23.100 3.381 2.069 4.859 0.731 4 2 "[ +. 1 . 2- .]" 1
1810 2 60 GLY H 2 69 MET ME 22.800 2.800 23.100 3.382 2.443 4.460 0.357 5 0 "[ . 1 . 2 .]" 1
1811 1 60 GLY H 1 70 GLU HA 4.000 . 4.000 3.536 2.901 4.002 0.002 25 0 "[ . 1 . 2 .]" 1
1812 2 60 GLY H 2 70 GLU HA 4.000 . 4.000 3.484 3.075 4.118 0.118 12 0 "[ . 1 . 2 .]" 1
1813 1 60 GLY H 1 70 GLU H 5.000 . 5.000 4.993 4.091 5.125 0.125 10 0 "[ . 1 . 2 .]" 1
1814 2 60 GLY H 2 70 GLU H 5.000 . 5.000 5.036 4.865 5.173 0.173 12 0 "[ . 1 . 2 .]" 1
1815 1 60 GLY H 1 71 ILE H 5.000 . 5.000 3.916 3.470 4.780 . 0 0 "[ . 1 . 2 .]" 1
1816 2 60 GLY H 2 71 ILE H 5.000 . 5.000 3.880 3.390 5.006 0.006 12 0 "[ . 1 . 2 .]" 1
1817 1 60 GLY H 1 71 ILE QG 4.000 . 5.000 3.198 2.586 4.529 . 0 0 "[ . 1 . 2 .]" 1
1818 2 60 GLY H 2 71 ILE QG 4.000 . 5.000 3.140 2.495 4.551 . 0 0 "[ . 1 . 2 .]" 1
1819 1 60 GLY H 1 71 ILE MD 4.000 . 4.300 3.104 2.361 3.454 . 0 0 "[ . 1 . 2 .]" 1
1820 2 60 GLY H 2 71 ILE MD 4.000 . 4.300 3.083 2.292 3.516 . 0 0 "[ . 1 . 2 .]" 1
1821 1 60 GLY QA 1 71 ILE QG 5.000 . 7.000 3.871 2.934 5.593 . 0 0 "[ . 1 . 2 .]" 1
1822 2 60 GLY QA 2 71 ILE QG 5.000 . 7.000 3.589 2.600 5.176 . 0 0 "[ . 1 . 2 .]" 1
1823 1 60 GLY QA 1 71 ILE MD 5.000 . 6.300 2.693 2.074 4.691 . 0 0 "[ . 1 . 2 .]" 1
1824 2 60 GLY QA 2 71 ILE MD 5.000 . 6.300 2.470 2.137 3.320 . 0 0 "[ . 1 . 2 .]" 1
1825 1 61 ARG HA 1 61 ARG QG 2.800 . 3.800 2.562 2.292 3.162 . 0 0 "[ . 1 . 2 .]" 1
1826 2 61 ARG HA 2 61 ARG QG 2.800 . 3.800 2.562 2.345 3.070 . 0 0 "[ . 1 . 2 .]" 1
1827 1 61 ARG H 1 61 ARG QB 2.800 . 3.800 2.661 2.151 3.080 . 0 0 "[ . 1 . 2 .]" 1
1828 2 61 ARG H 2 61 ARG QB 2.800 . 3.800 2.779 2.467 3.071 . 0 0 "[ . 1 . 2 .]" 1
1829 1 61 ARG H 1 62 ASN H 5.000 . 5.000 4.215 2.345 4.748 . 0 0 "[ . 1 . 2 .]" 1
1830 2 61 ARG H 2 62 ASN H 5.000 . 5.000 4.361 4.040 4.743 . 0 0 "[ . 1 . 2 .]" 1
1831 1 61 ARG HA 1 62 ASN H 2.790 . 2.790 2.318 2.008 3.080 0.290 12 0 "[ . 1 . 2 .]" 1
1832 2 61 ARG HA 2 62 ASN H 2.790 . 2.790 2.162 2.008 2.625 . 0 0 "[ . 1 . 2 .]" 1
1833 1 61 ARG QB 1 62 ASN H 5.000 . 6.000 2.925 1.849 3.927 . 0 0 "[ . 1 . 2 .]" 1
1834 2 61 ARG QB 2 62 ASN H 5.000 . 6.000 3.341 2.421 3.894 . 0 0 "[ . 1 . 2 .]" 1
1835 1 61 ARG QG 1 62 ASN H 5.000 . 6.000 3.247 1.514 4.961 0.286 19 0 "[ . 1 . 2 .]" 1
1836 2 61 ARG QG 2 62 ASN H 5.000 . 6.000 2.742 1.544 4.568 0.256 7 0 "[ . 1 . 2 .]" 1
1837 1 61 ARG QD 1 62 ASN H 5.000 . 6.000 4.340 2.568 5.372 . 0 0 "[ . 1 . 2 .]" 1
1838 2 61 ARG QD 2 62 ASN H 5.000 . 6.000 4.235 1.772 5.243 0.028 13 0 "[ . 1 . 2 .]" 1
1839 1 61 ARG HA 1 67 GLU H 5.000 . 5.000 4.876 4.437 5.152 0.152 24 0 "[ . 1 . 2 .]" 1
1840 2 61 ARG HA 2 67 GLU H 5.000 . 5.000 4.741 4.344 5.086 0.086 13 0 "[ . 1 . 2 .]" 1
1841 1 61 ARG HA 1 68 GLU HA 2.800 . 2.800 2.565 2.067 3.374 0.574 8 1 "[ . + 1 . 2 .]" 1
1842 2 61 ARG HA 2 68 GLU HA 2.800 . 2.800 2.388 2.076 3.281 0.481 16 0 "[ . 1 . 2 .]" 1
1843 1 61 ARG QG 1 68 GLU HA 4.000 . 5.000 3.142 2.152 4.373 . 0 0 "[ . 1 . 2 .]" 1
1844 2 61 ARG QG 2 68 GLU HA 4.000 . 5.000 3.018 2.158 4.518 . 0 0 "[ . 1 . 2 .]" 1
1845 1 61 ARG QB 1 68 GLU QG 5.000 . 7.000 4.411 2.934 5.429 . 0 0 "[ . 1 . 2 .]" 1
1846 2 61 ARG QB 2 68 GLU QG 5.000 . 7.000 4.196 2.411 5.668 . 0 0 "[ . 1 . 2 .]" 1
1847 1 61 ARG H 1 69 MET H 25.000 2.800 25.000 4.011 2.776 5.027 0.024 13 0 "[ . 1 . 2 .]" 1
1848 2 61 ARG H 2 69 MET H 25.000 2.800 25.000 4.424 2.796 5.098 0.004 16 0 "[ . 1 . 2 .]" 1
1849 1 61 ARG HA 1 69 MET ME 5.000 . 5.300 3.685 2.247 4.401 . 0 0 "[ . 1 . 2 .]" 1
1850 2 61 ARG HA 2 69 MET ME 5.000 . 5.300 3.759 2.716 4.332 . 0 0 "[ . 1 . 2 .]" 1
1851 1 61 ARG H 1 69 MET ME 5.000 . 5.300 3.507 1.699 4.358 0.101 9 0 "[ . 1 . 2 .]" 1
1852 2 61 ARG H 2 69 MET ME 5.000 . 5.300 3.337 2.139 4.379 . 0 0 "[ . 1 . 2 .]" 1
1853 1 61 ARG HA 1 69 MET H 4.000 . 4.000 2.951 2.353 4.032 0.032 8 0 "[ . 1 . 2 .]" 1
1854 2 61 ARG HA 2 69 MET H 4.000 . 4.000 2.883 2.034 4.001 0.001 16 0 "[ . 1 . 2 .]" 1
1855 1 61 ARG QB 1 69 MET ME 5.000 . 6.300 4.179 2.488 4.694 . 0 0 "[ . 1 . 2 .]" 1
1856 2 61 ARG QB 2 69 MET ME 5.000 . 6.300 4.520 3.337 4.714 . 0 0 "[ . 1 . 2 .]" 1
1857 1 62 ASN H 1 62 ASN HD21 5.000 . 5.000 4.593 3.059 5.040 0.040 16 0 "[ . 1 . 2 .]" 1
1858 2 62 ASN H 2 62 ASN HD21 5.000 . 5.000 4.588 3.086 5.023 0.023 19 0 "[ . 1 . 2 .]" 1
1859 1 62 ASN H 1 62 ASN HB3 3.500 . 3.500 2.789 2.362 3.683 0.183 9 0 "[ . 1 . 2 .]" 1
1860 2 62 ASN H 2 62 ASN HB3 3.500 . 3.500 2.762 2.403 3.667 0.167 16 0 "[ . 1 . 2 .]" 1
1861 1 62 ASN H 1 62 ASN HB2 4.000 . 4.000 2.955 2.157 3.960 . 0 0 "[ . 1 . 2 .]" 1
1862 2 62 ASN H 2 62 ASN HB2 4.000 . 4.000 2.811 2.333 4.018 0.018 19 0 "[ . 1 . 2 .]" 1
1863 1 62 ASN HB3 1 62 ASN HD21 3.500 . 3.500 3.121 2.155 3.525 0.025 11 0 "[ . 1 . 2 .]" 1
1864 2 62 ASN HB3 2 62 ASN HD21 3.500 . 3.500 3.206 2.194 3.530 0.030 24 0 "[ . 1 . 2 .]" 1
1865 1 62 ASN HB3 1 62 ASN HD22 4.000 . 4.000 3.909 3.509 4.063 0.063 1 0 "[ . 1 . 2 .]" 1
1866 2 62 ASN HB3 2 62 ASN HD22 4.000 . 4.000 3.949 3.578 4.079 0.079 24 0 "[ . 1 . 2 .]" 1
1867 1 62 ASN HB2 1 62 ASN HD21 3.500 . 3.500 2.467 2.187 3.406 . 0 0 "[ . 1 . 2 .]" 1
1868 2 62 ASN HB2 2 62 ASN HD21 3.500 . 3.500 2.454 2.199 3.407 . 0 0 "[ . 1 . 2 .]" 1
1869 1 62 ASN HB2 1 62 ASN HD22 4.000 . 4.000 3.655 3.571 4.028 0.028 7 0 "[ . 1 . 2 .]" 1
1870 2 62 ASN HB2 2 62 ASN HD22 4.000 . 4.000 3.658 3.574 4.028 0.028 17 0 "[ . 1 . 2 .]" 1
1871 1 62 ASN HD21 1 63 PRO QD 5.000 . 6.000 4.307 2.656 5.640 . 0 0 "[ . 1 . 2 .]" 1
1872 2 62 ASN HD21 2 63 PRO QD 5.000 . 6.000 4.195 3.531 5.242 . 0 0 "[ . 1 . 2 .]" 1
1873 1 62 ASN H 1 63 PRO QD 5.000 . 6.000 4.207 2.751 4.772 . 0 0 "[ . 1 . 2 .]" 1
1874 2 62 ASN H 2 63 PRO QD 5.000 . 6.000 4.216 2.808 4.568 . 0 0 "[ . 1 . 2 .]" 1
1875 1 62 ASN HA 1 63 PRO QG 4.000 . 5.000 4.180 4.026 4.595 . 0 0 "[ . 1 . 2 .]" 1
1876 2 62 ASN HA 2 63 PRO QG 4.000 . 5.000 4.181 3.945 4.815 . 0 0 "[ . 1 . 2 .]" 1
1877 1 62 ASN HA 1 63 PRO QD 2.790 . 3.790 2.323 2.077 3.424 . 0 0 "[ . 1 . 2 .]" 1
1878 2 62 ASN HA 2 63 PRO QD 2.790 . 3.790 2.283 2.082 3.437 . 0 0 "[ . 1 . 2 .]" 1
1879 1 62 ASN HA 1 64 GLN H 5.000 . 5.000 4.247 3.102 5.020 0.020 12 0 "[ . 1 . 2 .]" 1
1880 2 62 ASN HA 2 64 GLN H 5.000 . 5.000 4.339 3.696 4.577 . 0 0 "[ . 1 . 2 .]" 1
1881 1 62 ASN HB3 1 65 THR H 5.500 . 5.500 4.180 2.852 5.613 0.113 8 0 "[ . 1 . 2 .]" 1
1882 2 62 ASN HB3 2 65 THR H 5.500 . 5.500 4.207 3.041 5.696 0.196 1 0 "[ . 1 . 2 .]" 1
1883 1 62 ASN H 1 66 GLY H 5.000 . 5.000 4.237 3.393 5.056 0.056 11 0 "[ . 1 . 2 .]" 1
1884 2 62 ASN H 2 66 GLY H 5.000 . 5.000 4.203 3.257 5.010 0.010 19 0 "[ . 1 . 2 .]" 1
1885 1 62 ASN HB3 1 66 GLY H 5.500 . 5.500 3.379 2.314 5.336 . 0 0 "[ . 1 . 2 .]" 1
1886 2 62 ASN HB3 2 66 GLY H 5.500 . 5.500 3.236 2.232 5.519 0.019 7 0 "[ . 1 . 2 .]" 1
1887 1 62 ASN HB2 1 66 GLY H 5.000 . 5.000 4.055 1.886 5.088 0.088 19 0 "[ . 1 . 2 .]" 1
1888 2 62 ASN HB2 2 66 GLY H 5.000 . 5.000 4.285 2.195 5.064 0.064 13 0 "[ . 1 . 2 .]" 1
1889 1 62 ASN H 1 67 GLU H 4.000 . 4.000 3.457 2.484 4.128 0.128 8 0 "[ . 1 . 2 .]" 1
1890 2 62 ASN H 2 67 GLU H 4.000 . 4.000 3.357 2.715 4.125 0.125 13 0 "[ . 1 . 2 .]" 1
1891 1 62 ASN H 1 68 GLU H 5.000 . 5.000 4.852 3.278 5.100 0.100 19 0 "[ . 1 . 2 .]" 1
1892 2 62 ASN H 2 68 GLU H 5.000 . 5.000 4.808 3.647 5.107 0.107 7 0 "[ . 1 . 2 .]" 1
1893 1 62 ASN H 1 68 GLU HA 5.000 . 5.000 3.567 2.076 4.898 . 0 0 "[ . 1 . 2 .]" 1
1894 2 62 ASN H 2 68 GLU HA 5.000 . 5.000 3.594 2.873 4.977 . 0 0 "[ . 1 . 2 .]" 1
1895 1 62 ASN H 1 69 MET H 5.000 . 5.000 4.443 3.472 5.080 0.080 18 0 "[ . 1 . 2 .]" 1
1896 2 62 ASN H 2 69 MET H 5.000 . 5.000 4.261 3.530 5.067 0.067 13 0 "[ . 1 . 2 .]" 1
1897 1 63 PRO HA 1 64 GLN H 4.000 . 4.000 3.522 2.596 3.610 . 0 0 "[ . 1 . 2 .]" 1
1898 2 63 PRO HA 2 64 GLN H 4.000 . 4.000 3.560 3.459 3.613 . 0 0 "[ . 1 . 2 .]" 1
1899 1 63 PRO QB 1 64 GLN H 4.000 . 5.000 2.996 2.246 3.884 . 0 0 "[ . 1 . 2 .]" 1
1900 2 63 PRO QB 2 64 GLN H 4.000 . 5.000 3.138 2.338 3.709 . 0 0 "[ . 1 . 2 .]" 1
1901 1 63 PRO QD 1 64 GLN H 2.800 . 3.800 3.052 2.235 3.535 . 0 0 "[ . 1 . 2 .]" 1
1902 2 63 PRO QD 2 64 GLN H 2.800 . 3.800 3.017 2.523 3.234 . 0 0 "[ . 1 . 2 .]" 1
1903 1 63 PRO QG 1 64 GLN H 4.000 . 5.000 3.477 1.881 4.559 . 0 0 "[ . 1 . 2 .]" 1
1904 2 63 PRO QG 2 64 GLN H 4.000 . 5.000 3.236 1.851 4.311 . 0 0 "[ . 1 . 2 .]" 1
1905 1 63 PRO HA 1 66 GLY H 5.000 . 5.000 4.763 3.937 5.208 0.208 12 0 "[ . 1 . 2 .]" 1
1906 2 63 PRO HA 2 66 GLY H 5.000 . 5.000 4.788 4.019 5.162 0.162 24 0 "[ . 1 . 2 .]" 1
1907 1 63 PRO QD 1 66 GLY H 24.500 2.800 25.500 4.747 1.988 5.807 0.812 11 3 "[ . 1+ .* - .]" 1
1908 2 63 PRO QD 2 66 GLY H 24.500 2.800 25.500 4.901 2.236 6.076 0.564 19 2 "[ . 1 . +2 -]" 1
1909 1 64 GLN H 1 65 THR H 3.500 . 3.500 2.759 2.460 3.633 0.133 24 0 "[ . 1 . 2 .]" 1
1910 2 64 GLN H 2 65 THR H 3.500 . 3.500 2.667 2.457 2.893 . 0 0 "[ . 1 . 2 .]" 1
1911 1 64 GLN QB 1 65 THR H 2.800 . 3.800 2.134 1.784 3.306 0.016 11 0 "[ . 1 . 2 .]" 1
1912 2 64 GLN QB 2 65 THR H 2.800 . 3.800 2.114 1.747 3.376 0.053 21 0 "[ . 1 . 2 .]" 1
1913 1 64 GLN QB 1 65 THR MG 2.800 . 4.100 2.510 2.387 2.844 . 0 0 "[ . 1 . 2 .]" 1
1914 2 64 GLN QB 2 65 THR MG 2.800 . 4.100 2.600 2.389 2.881 . 0 0 "[ . 1 . 2 .]" 1
1915 1 64 GLN HG3 1 65 THR H 4.000 . 4.000 3.610 1.929 4.118 0.118 6 0 "[ . 1 . 2 .]" 1
1916 2 64 GLN HG3 2 65 THR H 4.000 . 4.000 3.802 2.283 4.125 0.125 20 0 "[ . 1 . 2 .]" 1
1917 1 64 GLN HG2 1 65 THR H 4.000 . 4.000 3.784 3.013 4.066 0.066 14 0 "[ . 1 . 2 .]" 1
1918 2 64 GLN HG2 2 65 THR H 4.000 . 4.000 3.733 3.020 4.065 0.065 16 0 "[ . 1 . 2 .]" 1
1919 1 64 GLN H 1 65 THR MG 5.000 . 5.300 4.184 3.844 4.404 . 0 0 "[ . 1 . 2 .]" 1
1920 2 64 GLN H 2 65 THR MG 5.000 . 5.300 4.164 3.826 4.387 . 0 0 "[ . 1 . 2 .]" 1
1921 1 64 GLN HA 1 65 THR H 5.000 . 5.000 3.462 1.962 3.648 . 0 0 "[ . 1 . 2 .]" 1
1922 2 64 GLN HA 2 65 THR H 5.000 . 5.000 3.510 3.403 3.641 . 0 0 "[ . 1 . 2 .]" 1
1923 1 64 GLN HA 1 66 GLY H 5.000 . 5.000 4.949 4.038 5.101 0.101 23 0 "[ . 1 . 2 .]" 1
1924 2 64 GLN HA 2 66 GLY H 5.000 . 5.000 4.971 4.841 5.136 0.136 1 0 "[ . 1 . 2 .]" 1
1925 1 65 THR H 1 65 THR MG 2.800 . 3.100 2.208 1.972 2.736 . 0 0 "[ . 1 . 2 .]" 1
1926 2 65 THR H 2 65 THR MG 2.800 . 3.100 2.165 1.915 2.503 . 0 0 "[ . 1 . 2 .]" 1
1927 1 65 THR HA 1 65 THR MG 2.800 . 3.100 2.471 2.059 2.543 . 0 0 "[ . 1 . 2 .]" 1
1928 2 65 THR HA 2 65 THR MG 2.800 . 3.100 2.488 2.420 2.554 . 0 0 "[ . 1 . 2 .]" 1
1929 1 65 THR H 1 66 GLY H 3.500 . 3.500 2.905 2.296 3.165 . 0 0 "[ . 1 . 2 .]" 1
1930 2 65 THR H 2 66 GLY H 3.500 . 3.500 2.962 2.249 3.179 . 0 0 "[ . 1 . 2 .]" 1
1931 1 65 THR H 1 66 GLY QA 5.000 . 6.000 4.725 4.104 5.024 . 0 0 "[ . 1 . 2 .]" 1
1932 2 65 THR H 2 66 GLY QA 5.000 . 6.000 4.835 4.148 5.046 . 0 0 "[ . 1 . 2 .]" 1
1933 1 65 THR HA 1 66 GLY H 5.000 . 5.000 3.401 2.689 3.564 . 0 0 "[ . 1 . 2 .]" 1
1934 2 65 THR HA 2 66 GLY H 5.000 . 5.000 3.495 2.862 3.564 . 0 0 "[ . 1 . 2 .]" 1
1935 1 65 THR MG 1 66 GLY H 5.000 . 5.300 4.161 3.994 4.453 . 0 0 "[ . 1 . 2 .]" 1
1936 2 65 THR MG 2 66 GLY H 5.000 . 5.300 4.131 4.024 4.398 . 0 0 "[ . 1 . 2 .]" 1
1937 1 65 THR HA 1 67 GLU H 5.000 . 5.000 4.643 3.021 5.048 0.048 6 0 "[ . 1 . 2 .]" 1
1938 2 65 THR HA 2 67 GLU H 5.000 . 5.000 4.826 3.277 5.053 0.053 3 0 "[ . 1 . 2 .]" 1
1939 1 65 THR HB 1 67 GLU H 4.000 . 4.000 4.013 3.479 4.322 0.322 16 0 "[ . 1 . 2 .]" 1
1940 2 65 THR HB 2 67 GLU H 4.000 . 4.000 3.999 3.536 4.288 0.288 19 0 "[ . 1 . 2 .]" 1
1941 1 65 THR H 1 67 GLU H 5.000 . 5.000 4.844 4.018 5.223 0.223 20 0 "[ . 1 . 2 .]" 1
1942 2 65 THR H 2 67 GLU H 5.000 . 5.000 4.873 3.928 5.212 0.212 25 0 "[ . 1 . 2 .]" 1
1943 1 66 GLY H 1 67 GLU H 3.500 . 3.500 2.756 2.366 3.192 . 0 0 "[ . 1 . 2 .]" 1
1944 2 66 GLY H 2 67 GLU H 3.500 . 3.500 2.716 2.468 3.504 0.004 1 0 "[ . 1 . 2 .]" 1
1945 1 66 GLY QA 1 67 GLU H 5.000 . 6.000 2.848 2.680 3.062 . 0 0 "[ . 1 . 2 .]" 1
1946 2 66 GLY QA 2 67 GLU H 5.000 . 6.000 2.807 2.667 3.019 . 0 0 "[ . 1 . 2 .]" 1
1947 1 67 GLU H 1 67 GLU HB2 2.800 . 2.800 2.854 2.754 2.985 0.185 11 0 "[ . 1 . 2 .]" 1
1948 2 67 GLU H 2 67 GLU HB2 2.800 . 2.800 2.847 2.716 2.984 0.184 19 0 "[ . 1 . 2 .]" 1
1949 1 67 GLU H 1 67 GLU HB3 2.800 . 2.800 2.732 2.554 2.963 0.163 20 0 "[ . 1 . 2 .]" 1
1950 2 67 GLU H 2 67 GLU HB3 2.800 . 2.800 2.717 2.601 3.260 0.460 25 0 "[ . 1 . 2 .]" 1
1951 1 67 GLU H 1 68 GLU HA 5.000 . 5.000 4.909 4.253 5.125 0.125 23 0 "[ . 1 . 2 .]" 1
1952 2 67 GLU H 2 68 GLU HA 5.000 . 5.000 4.985 4.323 5.123 0.123 25 0 "[ . 1 . 2 .]" 1
1953 1 67 GLU HA 1 68 GLU HA 5.000 . 5.000 4.521 4.315 5.007 0.007 11 0 "[ . 1 . 2 .]" 1
1954 2 67 GLU HA 2 68 GLU HA 5.000 . 5.000 4.457 4.338 4.833 . 0 0 "[ . 1 . 2 .]" 1
1955 1 67 GLU H 1 68 GLU H 5.000 . 5.000 4.211 3.124 4.530 . 0 0 "[ . 1 . 2 .]" 1
1956 2 67 GLU H 2 68 GLU H 5.000 . 5.000 4.324 2.887 4.546 . 0 0 "[ . 1 . 2 .]" 1
1957 1 67 GLU HA 1 68 GLU H 2.790 . 2.790 2.348 2.060 3.111 0.321 19 0 "[ . 1 . 2 .]" 1
1958 2 67 GLU HA 2 68 GLU H 2.790 . 2.790 2.244 2.101 3.091 0.301 7 0 "[ . 1 . 2 .]" 1
1959 1 67 GLU HB2 1 68 GLU H 4.000 . 4.000 4.118 3.309 4.472 0.472 8 0 "[ . 1 . 2 .]" 1
1960 2 67 GLU HB2 2 68 GLU H 4.000 . 4.000 4.210 3.329 4.476 0.476 13 0 "[ . 1 . 2 .]" 1
1961 1 67 GLU QG 1 68 GLU H 4.000 . 5.000 2.790 1.768 4.149 0.032 11 0 "[ . 1 . 2 .]" 1
1962 2 67 GLU QG 2 68 GLU H 4.000 . 5.000 2.835 2.066 4.274 . 0 0 "[ . 1 . 2 .]" 1
1963 1 68 GLU H 1 68 GLU QG 4.000 . 5.000 3.414 2.146 4.530 . 0 0 "[ . 1 . 2 .]" 1
1964 2 68 GLU H 2 68 GLU QG 4.000 . 5.000 3.156 2.207 4.544 . 0 0 "[ . 1 . 2 .]" 1
1965 1 68 GLU HA 1 69 MET QB 5.000 . 6.000 4.476 4.270 4.722 . 0 0 "[ . 1 . 2 .]" 1
1966 2 68 GLU HA 2 69 MET QB 5.000 . 6.000 4.408 3.881 4.684 . 0 0 "[ . 1 . 2 .]" 1
1967 1 68 GLU QB 1 69 MET H 3.500 . 4.500 3.497 2.678 4.118 . 0 0 "[ . 1 . 2 .]" 1
1968 2 68 GLU QB 2 69 MET H 3.500 . 4.500 3.374 1.773 3.879 0.027 5 0 "[ . 1 . 2 .]" 1
1969 1 68 GLU H 1 69 MET H 5.000 . 5.000 4.319 2.992 4.631 . 0 0 "[ . 1 . 2 .]" 1
1970 2 68 GLU H 2 69 MET H 5.000 . 5.000 4.390 3.257 4.658 . 0 0 "[ . 1 . 2 .]" 1
1971 1 68 GLU QG 1 69 MET H 5.000 . 6.000 3.973 2.878 4.983 . 0 0 "[ . 1 . 2 .]" 1
1972 2 68 GLU QG 2 69 MET H 5.000 . 6.000 4.022 2.582 4.799 . 0 0 "[ . 1 . 2 .]" 1
1973 1 68 GLU HA 1 69 MET H 2.790 . 2.790 2.158 1.892 2.323 . 0 0 "[ . 1 . 2 .]" 1
1974 2 68 GLU HA 2 69 MET H 2.790 . 2.790 2.169 2.010 3.056 0.266 5 0 "[ . 1 . 2 .]" 1
1975 1 69 MET HA 1 70 GLU H 2.790 . 2.790 2.228 2.075 2.879 0.089 13 0 "[ . 1 . 2 .]" 1
1976 2 69 MET HA 2 70 GLU H 2.790 . 2.790 2.226 2.076 2.718 . 0 0 "[ . 1 . 2 .]" 1
1977 1 69 MET QB 1 70 GLU H 2.800 . 3.800 2.701 2.062 3.103 . 0 0 "[ . 1 . 2 .]" 1
1978 2 69 MET QB 2 70 GLU H 2.800 . 3.800 2.760 1.889 3.551 . 0 0 "[ . 1 . 2 .]" 1
1979 1 69 MET QG 1 70 GLU H 4.000 . 5.000 3.962 2.492 4.559 . 0 0 "[ . 1 . 2 .]" 1
1980 2 69 MET QG 2 70 GLU H 4.000 . 5.000 3.722 2.458 4.540 . 0 0 "[ . 1 . 2 .]" 1
1981 1 69 MET HA 1 70 GLU QG 5.000 . 6.000 4.710 4.014 5.401 . 0 0 "[ . 1 . 2 .]" 1
1982 2 69 MET HA 2 70 GLU QG 5.000 . 6.000 4.652 4.066 5.365 . 0 0 "[ . 1 . 2 .]" 1
1983 1 69 MET QG 1 71 ILE MD 5.000 . 6.300 4.270 2.223 4.548 . 0 0 "[ . 1 . 2 .]" 1
1984 2 69 MET QG 2 71 ILE MD 5.000 . 6.300 4.314 3.076 4.700 . 0 0 "[ . 1 . 2 .]" 1
1985 1 69 MET ME 1 71 ILE MD 4.000 . 4.600 2.335 1.929 2.736 . 0 0 "[ . 1 . 2 .]" 1
1986 2 69 MET ME 2 71 ILE MD 4.000 . 4.600 2.471 1.969 3.191 . 0 0 "[ . 1 . 2 .]" 1
1987 1 69 MET ME 1 71 ILE MG 5.000 . 5.600 3.704 3.440 3.875 . 0 0 "[ . 1 . 2 .]" 1
1988 2 69 MET ME 2 71 ILE MG 5.000 . 5.600 3.707 3.440 3.849 . 0 0 "[ . 1 . 2 .]" 1
1989 1 70 GLU H 1 70 GLU QB . . 2.800 2.518 2.073 2.754 . 0 0 "[ . 1 . 2 .]" 1
1990 2 70 GLU H 2 70 GLU HB2 4.000 . 4.000 3.549 2.181 3.887 . 0 0 "[ . 1 . 2 .]" 1
1991 2 70 GLU H 2 70 GLU HB3 2.800 . 2.800 2.824 2.735 2.965 0.165 8 0 "[ . 1 . 2 .]" 1
1992 1 70 GLU H 1 70 GLU QG 3.500 . 4.500 2.979 2.230 4.004 . 0 0 "[ . 1 . 2 .]" 1
1993 2 70 GLU H 2 70 GLU QG 3.500 . 4.500 2.796 2.250 4.003 . 0 0 "[ . 1 . 2 .]" 1
1994 1 70 GLU H 1 71 ILE H 5.000 . 5.000 4.560 4.129 4.713 . 0 0 "[ . 1 . 2 .]" 1
1995 2 70 GLU H 2 71 ILE H 5.000 . 5.000 4.590 4.281 4.803 . 0 0 "[ . 1 . 2 .]" 1
1996 1 70 GLU QB 1 71 ILE H 5.000 . 5.000 3.444 2.959 4.079 . 0 0 "[ . 1 . 2 .]" 1
1997 2 70 GLU HB3 2 71 ILE H 5.000 . 5.000 4.279 4.113 4.426 . 0 0 "[ . 1 . 2 .]" 1
1998 1 70 GLU HA 1 71 ILE H 2.790 . 2.790 2.193 2.088 2.283 . 0 0 "[ . 1 . 2 .]" 1
1999 2 70 GLU HA 2 71 ILE H 2.790 . 2.790 2.205 2.099 2.397 . 0 0 "[ . 1 . 2 .]" 1
2000 1 71 ILE QG 1 71 ILE MG 2.800 . 4.100 2.279 2.053 2.398 . 0 0 "[ . 1 . 2 .]" 1
2001 2 71 ILE QG 2 71 ILE MG 2.800 . 4.100 2.274 2.059 2.402 . 0 0 "[ . 1 . 2 .]" 1
2002 1 71 ILE H 1 71 ILE MG 4.000 . 4.300 3.759 3.689 3.791 . 0 0 "[ . 1 . 2 .]" 1
2003 2 71 ILE H 2 71 ILE MG 4.000 . 4.300 3.759 3.620 3.788 . 0 0 "[ . 1 . 2 .]" 1
2004 1 71 ILE HA 1 71 ILE MG 2.800 . 3.100 2.458 2.218 2.580 . 0 0 "[ . 1 . 2 .]" 1
2005 2 71 ILE HA 2 71 ILE MG 2.800 . 3.100 2.447 2.222 2.667 . 0 0 "[ . 1 . 2 .]" 1
2006 1 71 ILE H 1 71 ILE MD 5.000 . 5.300 3.305 2.010 3.783 . 0 0 "[ . 1 . 2 .]" 1
2007 2 71 ILE H 2 71 ILE MD 5.000 . 5.300 3.360 2.229 3.732 . 0 0 "[ . 1 . 2 .]" 1
2008 1 71 ILE HB 1 71 ILE MD 3.500 . 3.800 2.598 2.235 3.300 . 0 0 "[ . 1 . 2 .]" 1
2009 2 71 ILE HB 2 71 ILE MD 3.500 . 3.800 2.557 2.322 3.302 . 0 0 "[ . 1 . 2 .]" 1
2010 1 71 ILE H 1 72 PRO QD 5.000 . 6.000 4.196 2.453 4.529 . 0 0 "[ . 1 . 2 .]" 1
2011 2 71 ILE H 2 72 PRO QD 5.000 . 6.000 4.115 1.901 4.585 . 0 0 "[ . 1 . 2 .]" 1
2012 1 71 ILE MG 1 72 PRO QD 3.500 . 4.800 2.777 2.175 3.406 . 0 0 "[ . 1 . 2 .]" 1
2013 2 71 ILE MG 2 72 PRO QD 3.500 . 4.800 2.696 1.923 3.543 . 0 0 "[ . 1 . 2 .]" 1
2014 1 71 ILE MG 1 72 PRO QG 5.000 . 6.300 4.144 3.355 4.635 . 0 0 "[ . 1 . 2 .]" 1
2015 2 71 ILE MG 2 72 PRO QG 5.000 . 6.300 4.053 3.527 4.726 . 0 0 "[ . 1 . 2 .]" 1
2016 1 71 ILE QG 1 72 PRO QD 5.500 . 7.500 4.053 3.794 4.806 . 0 0 "[ . 1 . 2 .]" 1
2017 2 71 ILE QG 2 72 PRO QD 5.500 . 7.500 4.031 3.745 4.695 . 0 0 "[ . 1 . 2 .]" 1
2018 1 71 ILE HB 1 72 PRO QD 5.000 . 6.000 4.237 2.905 4.476 . 0 0 "[ . 1 . 2 .]" 1
2019 2 71 ILE HB 2 72 PRO QD 5.000 . 6.000 3.994 2.031 4.489 . 0 0 "[ . 1 . 2 .]" 1
2020 1 71 ILE HA 1 72 PRO QD 2.790 . 3.790 2.245 2.032 3.539 . 0 0 "[ . 1 . 2 .]" 1
2021 2 71 ILE HA 2 72 PRO QD 2.790 . 3.790 2.407 2.090 3.540 . 0 0 "[ . 1 . 2 .]" 1
2022 1 72 PRO HA 1 73 ALA H 2.790 . 2.790 2.319 1.937 2.828 0.038 11 0 "[ . 1 . 2 .]" 1
2023 2 72 PRO HA 2 73 ALA H 2.790 . 2.790 2.290 2.043 3.112 0.322 8 0 "[ . 1 . 2 .]" 1
2024 1 72 PRO QB 1 73 ALA H 2.800 . 3.800 2.724 2.048 3.458 . 0 0 "[ . 1 . 2 .]" 1
2025 2 72 PRO QB 2 73 ALA H 2.800 . 3.800 2.760 2.043 3.486 . 0 0 "[ . 1 . 2 .]" 1
2026 1 73 ALA H 1 73 ALA MB 2.800 . 3.100 2.407 2.252 2.638 . 0 0 "[ . 1 . 2 .]" 1
2027 2 73 ALA H 2 73 ALA MB 2.800 . 3.100 2.406 2.287 2.725 . 0 0 "[ . 1 . 2 .]" 1
2028 1 73 ALA H 1 74 SER H 5.000 . 5.000 4.547 4.110 4.662 . 0 0 "[ . 1 . 2 .]" 1
2029 2 73 ALA H 2 74 SER H 5.000 . 5.000 4.530 3.865 4.654 . 0 0 "[ . 1 . 2 .]" 1
2030 1 73 ALA HA 1 74 SER H 2.790 . 2.790 2.228 1.789 2.488 0.011 16 0 "[ . 1 . 2 .]" 1
2031 2 73 ALA HA 2 74 SER H 2.790 . 2.790 2.239 1.781 2.389 0.019 9 0 "[ . 1 . 2 .]" 1
2032 1 73 ALA HA 1 74 SER QB 5.000 . 6.000 4.570 4.299 4.752 . 0 0 "[ . 1 . 2 .]" 1
2033 2 73 ALA HA 2 74 SER QB 5.000 . 6.000 4.571 4.127 4.814 . 0 0 "[ . 1 . 2 .]" 1
2034 1 73 ALA MB 1 74 SER H 2.800 . 3.100 2.209 2.002 2.447 . 0 0 "[ . 1 . 2 .]" 1
2035 2 73 ALA MB 2 74 SER H 2.800 . 3.100 2.180 1.967 2.500 . 0 0 "[ . 1 . 2 .]" 1
2036 1 73 ALA MB 1 74 SER HA 3.500 . 3.800 3.234 3.139 3.278 . 0 0 "[ . 1 . 2 .]" 1
2037 2 73 ALA MB 2 74 SER HA 3.500 . 3.800 3.239 3.103 3.280 . 0 0 "[ . 1 . 2 .]" 1
2038 1 74 SER H 1 74 SER QB 3.500 . 4.500 3.311 2.866 3.623 . 0 0 "[ . 1 . 2 .]" 1
2039 2 74 SER H 2 74 SER QB 3.500 . 4.500 3.230 2.970 3.504 . 0 0 "[ . 1 . 2 .]" 1
2040 1 74 SER H 1 75 LYS HA 5.500 . 5.500 4.756 4.468 5.009 . 0 0 "[ . 1 . 2 .]" 1
2041 2 74 SER H 2 75 LYS HA 5.500 . 5.500 4.679 4.416 4.827 . 0 0 "[ . 1 . 2 .]" 1
2042 1 74 SER HA 1 75 LYS H 2.790 . 2.790 2.188 2.038 2.611 . 0 0 "[ . 1 . 2 .]" 1
2043 2 74 SER HA 2 75 LYS H 2.790 . 2.790 2.169 1.994 2.710 . 0 0 "[ . 1 . 2 .]" 1
2044 1 74 SER QB 1 75 LYS H 2.800 . 3.800 3.009 2.262 3.537 . 0 0 "[ . 1 . 2 .]" 1
2045 2 74 SER QB 2 75 LYS H 2.800 . 3.800 3.188 2.654 3.542 . 0 0 "[ . 1 . 2 .]" 1
2046 1 74 SER QB 1 76 VAL MG2 5.000 . 6.300 3.881 2.278 4.760 . 0 0 "[ . 1 . 2 .]" 1
2047 2 74 SER QB 2 76 VAL MG2 5.000 . 6.300 3.667 2.516 4.755 . 0 0 "[ . 1 . 2 .]" 1
2048 1 74 SER QB 2 90 LYS HA 5.000 . 6.000 3.006 2.314 5.369 . 0 0 "[ . 1 . 2 .]" 1
2049 1 90 LYS HA 2 74 SER QB 5.000 . 6.000 3.063 2.304 4.074 . 0 0 "[ . 1 . 2 .]" 1
2050 1 75 LYS H 1 75 LYS QG 3.500 . 4.500 2.325 2.063 3.025 . 0 0 "[ . 1 . 2 .]" 1
2051 2 75 LYS H 2 75 LYS QG 3.500 . 4.500 2.403 2.058 3.168 . 0 0 "[ . 1 . 2 .]" 1
2052 1 75 LYS HA 1 75 LYS QG 3.500 . 4.500 2.799 2.506 3.354 . 0 0 "[ . 1 . 2 .]" 1
2053 2 75 LYS HA 2 75 LYS QG 3.500 . 4.500 2.793 2.611 3.326 . 0 0 "[ . 1 . 2 .]" 1
2054 1 75 LYS HA 1 76 VAL MG2 5.500 . 5.800 4.190 3.385 4.817 . 0 0 "[ . 1 . 2 .]" 1
2055 2 75 LYS HA 2 76 VAL MG2 5.500 . 5.800 4.210 3.587 4.841 . 0 0 "[ . 1 . 2 .]" 1
2056 1 75 LYS H 1 76 VAL H 5.000 . 5.000 4.578 4.146 4.796 . 0 0 "[ . 1 . 2 .]" 1
2057 2 75 LYS H 2 76 VAL H 5.000 . 5.000 4.593 3.982 4.810 . 0 0 "[ . 1 . 2 .]" 1
2058 1 75 LYS HA 1 76 VAL H 2.790 . 2.790 2.277 2.045 2.419 . 0 0 "[ . 1 . 2 .]" 1
2059 2 75 LYS HA 2 76 VAL H 2.790 . 2.790 2.286 2.052 2.450 . 0 0 "[ . 1 . 2 .]" 1
2060 1 75 LYS HB2 1 76 VAL H 4.000 . 4.000 4.043 3.233 4.138 0.138 16 0 "[ . 1 . 2 .]" 1
2061 2 75 LYS HB2 2 76 VAL H 4.000 . 4.000 4.081 4.037 4.119 0.119 18 0 "[ . 1 . 2 .]" 1
2062 1 75 LYS HB3 1 76 VAL H 3.500 . 3.500 3.516 3.144 3.594 0.094 25 0 "[ . 1 . 2 .]" 1
2063 2 75 LYS HB3 2 76 VAL H 3.500 . 3.500 3.506 3.217 3.602 0.102 14 0 "[ . 1 . 2 .]" 1
2064 1 76 VAL H 1 76 VAL HB 3.500 . 3.500 2.233 1.665 3.716 0.216 25 0 "[ . 1 . 2 .]" 1
2065 2 76 VAL H 2 76 VAL HB 3.500 . 3.500 2.165 1.710 3.710 0.210 24 0 "[ . 1 . 2 .]" 1
2066 1 76 VAL H 1 76 VAL MG2 3.500 . 3.800 2.993 2.689 3.338 . 0 0 "[ . 1 . 2 .]" 1
2067 2 76 VAL H 2 76 VAL MG2 3.500 . 3.800 3.008 2.654 3.283 . 0 0 "[ . 1 . 2 .]" 1
2068 1 76 VAL H 1 76 VAL MG1 2.800 . 3.100 2.774 2.094 3.077 . 0 0 "[ . 1 . 2 .]" 1
2069 2 76 VAL H 2 76 VAL MG1 2.800 . 3.100 2.799 2.080 3.101 0.001 6 0 "[ . 1 . 2 .]" 1
2070 1 76 VAL HA 1 76 VAL MG2 3.500 . 3.800 2.516 2.174 3.291 . 0 0 "[ . 1 . 2 .]" 1
2071 2 76 VAL HA 2 76 VAL MG2 3.500 . 3.800 2.456 2.188 3.283 . 0 0 "[ . 1 . 2 .]" 1
2072 1 76 VAL HA 1 76 VAL MG1 3.500 . 3.800 2.776 2.340 3.212 . 0 0 "[ . 1 . 2 .]" 1
2073 2 76 VAL HA 2 76 VAL MG1 3.500 . 3.800 2.824 2.347 3.189 . 0 0 "[ . 1 . 2 .]" 1
2074 1 76 VAL H 1 77 PRO QD 5.000 . 6.000 4.122 3.490 4.306 . 0 0 "[ . 1 . 2 .]" 1
2075 2 76 VAL H 2 77 PRO QD 5.000 . 6.000 4.150 4.018 4.265 . 0 0 "[ . 1 . 2 .]" 1
2076 1 76 VAL HA 1 77 PRO QG 4.000 . 5.000 4.030 3.961 4.082 . 0 0 "[ . 1 . 2 .]" 1
2077 2 76 VAL HA 2 77 PRO QG 4.000 . 5.000 4.032 3.994 4.079 . 0 0 "[ . 1 . 2 .]" 1
2078 1 76 VAL HA 1 77 PRO QD 2.790 . 3.790 1.976 1.909 2.007 . 0 0 "[ . 1 . 2 .]" 1
2079 2 76 VAL HA 2 77 PRO QD 2.790 . 3.790 1.975 1.947 2.005 . 0 0 "[ . 1 . 2 .]" 1
2080 1 76 VAL HB 1 77 PRO QD 3.500 . 4.500 3.974 2.795 4.363 . 0 0 "[ . 1 . 2 .]" 1
2081 2 76 VAL HB 2 77 PRO QD 3.500 . 4.500 4.034 2.834 4.360 . 0 0 "[ . 1 . 2 .]" 1
2082 1 76 VAL MG2 1 77 PRO QD 5.000 . 6.300 3.386 2.569 3.939 . 0 0 "[ . 1 . 2 .]" 1
2083 2 76 VAL MG2 2 77 PRO QD 5.000 . 6.300 3.311 2.735 3.878 . 0 0 "[ . 1 . 2 .]" 1
2084 1 76 VAL MG1 1 77 PRO QD 3.500 . 4.800 3.251 2.764 3.693 . 0 0 "[ . 1 . 2 .]" 1
2085 2 76 VAL MG1 2 77 PRO QD 3.500 . 4.800 3.227 2.687 3.673 . 0 0 "[ . 1 . 2 .]" 1
2086 1 76 VAL HA 2 89 VAL MG2 5.000 . 5.300 4.085 3.451 4.556 . 0 0 "[ . 1 . 2 .]" 1
2087 1 89 VAL MG2 2 76 VAL HA 5.000 . 5.300 4.092 3.863 4.286 . 0 0 "[ . 1 . 2 .]" 1
2088 1 77 PRO HA 1 78 ALA H 2.790 . 2.790 1.901 1.853 1.950 . 0 0 "[ . 1 . 2 .]" 1
2089 2 77 PRO HA 2 78 ALA H 2.790 . 2.790 1.907 1.865 1.950 . 0 0 "[ . 1 . 2 .]" 1
2090 1 77 PRO HA 1 78 ALA MB 4.000 . 4.300 3.643 3.611 3.678 . 0 0 "[ . 1 . 2 .]" 1
2091 2 77 PRO HA 2 78 ALA MB 4.000 . 4.300 3.650 3.617 3.711 . 0 0 "[ . 1 . 2 .]" 1
2092 1 77 PRO QB 1 78 ALA H 4.000 . 5.000 3.187 3.030 3.622 . 0 0 "[ . 1 . 2 .]" 1
2093 2 77 PRO QB 2 78 ALA H 4.000 . 5.000 3.177 2.986 3.433 . 0 0 "[ . 1 . 2 .]" 1
2094 1 77 PRO QG 2 85 LEU QD 4.000 . 7.400 2.515 2.208 2.887 . 0 0 "[ . 1 . 2 .]" 1
2095 1 85 LEU QD 2 77 PRO QG 4.000 . 7.400 2.576 2.186 2.854 . 0 0 "[ . 1 . 2 .]" 1
2096 1 77 PRO QB 2 85 LEU QD 4.000 . 7.400 2.122 1.925 2.288 . 0 0 "[ . 1 . 2 .]" 1
2097 1 85 LEU QD 2 77 PRO QB 4.000 . 7.400 2.161 2.028 2.846 . 0 0 "[ . 1 . 2 .]" 1
2098 1 77 PRO QG 2 85 LEU HG 5.000 . 6.000 2.651 2.286 3.147 . 0 0 "[ . 1 . 2 .]" 1
2099 1 85 LEU HG 2 77 PRO QG 5.000 . 6.000 2.753 2.310 3.257 . 0 0 "[ . 1 . 2 .]" 1
2100 1 77 PRO QG 2 86 LYS QG 5.000 . 7.000 3.785 3.068 5.408 . 0 0 "[ . 1 . 2 .]" 1
2101 1 86 LYS QG 2 77 PRO QG 5.000 . 7.000 3.651 3.055 5.007 . 0 0 "[ . 1 . 2 .]" 1
2102 1 77 PRO QB 2 89 VAL MG2 4.000 . 5.300 2.355 2.081 2.670 . 0 0 "[ . 1 . 2 .]" 1
2103 1 89 VAL MG2 2 77 PRO QB 4.000 . 5.300 2.316 2.112 2.659 . 0 0 "[ . 1 . 2 .]" 1
2104 1 77 PRO QB 2 89 VAL MG1 5.000 . 6.300 3.136 2.244 3.606 . 0 0 "[ . 1 . 2 .]" 1
2105 1 89 VAL MG1 2 77 PRO QB 5.000 . 6.300 3.066 2.074 3.320 . 0 0 "[ . 1 . 2 .]" 1
2106 1 77 PRO QG 2 89 VAL MG2 3.500 . 4.800 3.013 2.281 3.255 . 0 0 "[ . 1 . 2 .]" 1
2107 1 89 VAL MG2 2 77 PRO QG 3.500 . 4.800 3.109 2.980 3.311 . 0 0 "[ . 1 . 2 .]" 1
2108 1 77 PRO QG 2 89 VAL MG1 5.000 . 6.300 2.049 1.976 2.280 . 0 0 "[ . 1 . 2 .]" 1
2109 1 89 VAL MG1 2 77 PRO QG 5.000 . 6.300 2.022 1.886 2.132 . 0 0 "[ . 1 . 2 .]" 1
2110 1 77 PRO QD 2 89 VAL MG2 3.500 . 4.800 2.789 2.033 3.134 . 0 0 "[ . 1 . 2 .]" 1
2111 1 89 VAL MG2 2 77 PRO QD 3.500 . 4.800 2.851 2.665 3.149 . 0 0 "[ . 1 . 2 .]" 1
2112 1 77 PRO QD 2 89 VAL MG1 3.600 . 4.900 2.070 1.930 3.351 . 0 0 "[ . 1 . 2 .]" 1
2113 1 89 VAL MG1 2 77 PRO QD 3.600 . 4.900 2.018 1.940 2.560 . 0 0 "[ . 1 . 2 .]" 1
2114 1 78 ALA H 1 78 ALA MB 2.800 . 3.100 2.417 2.128 2.546 . 0 0 "[ . 1 . 2 .]" 1
2115 2 78 ALA H 2 78 ALA MB 2.800 . 3.100 2.451 2.288 2.549 . 0 0 "[ . 1 . 2 .]" 1
2116 1 78 ALA H 1 79 PHE H 5.000 . 5.000 4.431 4.373 4.483 . 0 0 "[ . 1 . 2 .]" 1
2117 2 78 ALA H 2 79 PHE H 5.000 . 5.000 4.412 4.280 4.447 . 0 0 "[ . 1 . 2 .]" 1
2118 1 78 ALA HA 1 79 PHE H 2.790 . 2.790 2.305 2.203 2.403 . 0 0 "[ . 1 . 2 .]" 1
2119 2 78 ALA HA 2 79 PHE H 2.790 . 2.790 2.257 1.970 2.377 . 0 0 "[ . 1 . 2 .]" 1
2120 1 78 ALA HA 1 79 PHE HA 5.000 . 5.000 4.671 4.583 4.729 . 0 0 "[ . 1 . 2 .]" 1
2121 2 78 ALA HA 2 79 PHE HA 5.000 . 5.000 4.657 4.586 4.724 . 0 0 "[ . 1 . 2 .]" 1
2122 1 78 ALA MB 1 79 PHE H 2.800 . 3.100 2.411 2.375 2.450 . 0 0 "[ . 1 . 2 .]" 1
2123 2 78 ALA MB 2 79 PHE H 2.800 . 3.100 2.432 2.372 2.683 . 0 0 "[ . 1 . 2 .]" 1
2124 1 79 PHE H 1 79 PHE HB2 4.000 . 4.000 3.720 3.628 4.027 0.027 20 0 "[ . 1 . 2 .]" 1
2125 2 79 PHE H 2 79 PHE HB2 4.000 . 4.000 3.682 3.493 4.024 0.024 6 0 "[ . 1 . 2 .]" 1
2126 1 79 PHE H 1 79 PHE HB3 4.000 . 4.000 2.943 2.834 3.110 . 0 0 "[ . 1 . 2 .]" 1
2127 2 79 PHE H 2 79 PHE HB3 4.000 . 4.000 2.921 2.731 3.102 . 0 0 "[ . 1 . 2 .]" 1
2128 1 79 PHE HA 1 80 LYS H 2.790 . 2.790 1.996 1.908 2.078 . 0 0 "[ . 1 . 2 .]" 1
2129 2 79 PHE HA 2 80 LYS H 2.790 . 2.790 2.009 1.864 2.150 . 0 0 "[ . 1 . 2 .]" 1
2130 1 79 PHE HB2 1 80 LYS H 4.000 . 4.000 3.834 2.748 4.008 0.008 7 0 "[ . 1 . 2 .]" 1
2131 2 79 PHE HB2 2 80 LYS H 4.000 . 4.000 3.899 2.920 4.035 0.035 4 0 "[ . 1 . 2 .]" 1
2132 1 79 PHE HB3 1 80 LYS H 4.000 . 4.000 4.158 3.990 4.214 0.214 2 0 "[ . 1 . 2 .]" 1
2133 2 79 PHE HB3 2 80 LYS H 4.000 . 4.000 4.159 4.007 4.195 0.195 18 0 "[ . 1 . 2 .]" 1
2134 1 79 PHE QD 1 80 LYS H 4.000 . 6.000 3.578 3.476 3.673 . 0 0 "[ . 1 . 2 .]" 1
2135 2 79 PHE QD 2 80 LYS H 4.000 . 6.000 3.505 1.926 3.827 . 0 0 "[ . 1 . 2 .]" 1
2136 1 79 PHE HZ 1 81 PRO HA 5.500 . 5.500 3.034 2.730 4.820 . 0 0 "[ . 1 . 2 .]" 1
2137 2 79 PHE HZ 2 81 PRO HA 5.500 . 5.500 2.977 2.618 4.541 . 0 0 "[ . 1 . 2 .]" 1
2138 1 79 PHE QE 1 81 PRO HA 5.000 . 7.000 3.140 2.384 4.685 . 0 0 "[ . 1 . 2 .]" 1
2139 2 79 PHE QE 2 81 PRO HA 5.000 . 7.000 3.069 2.795 4.473 . 0 0 "[ . 1 . 2 .]" 1
2140 1 79 PHE QE 1 81 PRO QD 5.000 . 8.000 4.279 3.096 5.048 . 0 0 "[ . 1 . 2 .]" 1
2141 2 79 PHE QE 2 81 PRO QD 5.000 . 8.000 4.345 3.061 4.568 . 0 0 "[ . 1 . 2 .]" 1
2142 1 79 PHE QE 1 85 LEU QD 3.500 . 7.900 2.750 2.397 3.152 . 0 0 "[ . 1 . 2 .]" 1
2143 2 79 PHE QE 2 85 LEU QD 3.500 . 7.900 2.788 2.385 4.621 . 0 0 "[ . 1 . 2 .]" 1
2144 1 79 PHE HZ 1 85 LEU QD 4.000 . 6.400 2.657 2.293 3.447 . 0 0 "[ . 1 . 2 .]" 1
2145 2 79 PHE HZ 2 85 LEU QD 4.000 . 6.400 2.672 2.233 4.690 . 0 0 "[ . 1 . 2 .]" 1
2146 1 80 LYS H 1 80 LYS QG 3.500 . 4.500 2.979 1.792 3.986 0.008 9 0 "[ . 1 . 2 .]" 1
2147 2 80 LYS H 2 80 LYS QG 3.500 . 4.500 3.170 1.899 4.068 . 0 0 "[ . 1 . 2 .]" 1
2148 1 80 LYS H 1 80 LYS QE 5.500 . 6.500 5.145 4.037 5.837 . 0 0 "[ . 1 . 2 .]" 1
2149 2 80 LYS H 2 80 LYS QE 5.500 . 6.500 5.162 4.285 5.710 . 0 0 "[ . 1 . 2 .]" 1
2150 1 80 LYS HA 1 80 LYS QE 5.000 . 6.000 4.322 2.098 5.180 . 0 0 "[ . 1 . 2 .]" 1
2151 2 80 LYS HA 2 80 LYS QE 5.000 . 6.000 4.257 2.974 5.147 . 0 0 "[ . 1 . 2 .]" 1
2152 1 80 LYS H 1 81 PRO QD 5.000 . 6.000 4.480 3.646 4.601 . 0 0 "[ . 1 . 2 .]" 1
2153 2 80 LYS H 2 81 PRO QD 5.000 . 6.000 4.479 3.666 4.583 . 0 0 "[ . 1 . 2 .]" 1
2154 1 80 LYS HB2 1 81 PRO QD 5.000 . 6.000 4.090 3.924 4.563 . 0 0 "[ . 1 . 2 .]" 1
2155 2 80 LYS HB2 2 81 PRO QD 5.000 . 6.000 4.121 3.928 4.642 . 0 0 "[ . 1 . 2 .]" 1
2156 1 80 LYS HA 1 81 PRO QD 2.790 . 3.790 2.159 2.080 2.903 . 0 0 "[ . 1 . 2 .]" 1
2157 2 80 LYS HA 2 81 PRO QD 2.790 . 3.790 2.130 2.057 2.865 . 0 0 "[ . 1 . 2 .]" 1
2158 1 80 LYS HA 1 81 PRO QG 4.000 . 5.000 4.108 4.036 4.657 . 0 0 "[ . 1 . 2 .]" 1
2159 2 80 LYS HA 2 81 PRO QG 4.000 . 5.000 4.087 4.000 4.617 . 0 0 "[ . 1 . 2 .]" 1
2160 1 80 LYS HA 1 83 LYS H 5.000 . 5.000 5.325 5.234 5.532 0.532 9 1 "[ . +1 . 2 .]" 1
2161 2 80 LYS HA 2 83 LYS H 5.000 . 5.000 5.319 5.259 5.449 0.449 6 0 "[ . 1 . 2 .]" 1
2162 1 81 PRO HA 1 82 GLY H 2.800 . 2.800 2.864 2.806 2.984 0.184 20 0 "[ . 1 . 2 .]" 1
2163 2 81 PRO HA 2 82 GLY H 2.800 . 2.800 2.861 2.823 2.984 0.184 6 0 "[ . 1 . 2 .]" 1
2164 1 81 PRO QB 1 82 GLY H 4.000 . 5.000 4.083 3.761 4.141 . 0 0 "[ . 1 . 2 .]" 1
2165 2 81 PRO QB 2 82 GLY H 4.000 . 5.000 4.091 3.755 4.132 . 0 0 "[ . 1 . 2 .]" 1
2166 1 81 PRO QG 1 82 GLY H 5.000 . 6.000 4.249 4.040 4.648 . 0 0 "[ . 1 . 2 .]" 1
2167 2 81 PRO QG 2 82 GLY H 5.000 . 6.000 4.220 4.001 4.627 . 0 0 "[ . 1 . 2 .]" 1
2168 1 81 PRO HA 1 82 GLY QA 5.000 . 6.000 4.309 4.233 4.538 . 0 0 "[ . 1 . 2 .]" 1
2169 2 81 PRO HA 2 82 GLY QA 5.000 . 6.000 4.305 4.266 4.456 . 0 0 "[ . 1 . 2 .]" 1
2170 1 81 PRO QD 1 83 LYS H 5.000 . 6.000 3.646 3.428 5.053 . 0 0 "[ . 1 . 2 .]" 1
2171 2 81 PRO QD 2 83 LYS H 5.000 . 6.000 3.656 3.408 5.196 . 0 0 "[ . 1 . 2 .]" 1
2172 1 81 PRO HA 1 85 LEU QD 3.500 . 5.900 2.600 2.094 2.914 . 0 0 "[ . 1 . 2 .]" 1
2173 2 81 PRO HA 2 85 LEU QD 3.500 . 5.900 2.685 2.090 3.734 . 0 0 "[ . 1 . 2 .]" 1
2174 1 81 PRO QG 1 85 LEU HG 5.000 . 6.000 4.996 4.853 5.243 . 0 0 "[ . 1 . 2 .]" 1
2175 2 81 PRO QG 2 85 LEU HG 5.000 . 6.000 5.006 4.650 5.230 . 0 0 "[ . 1 . 2 .]" 1
2176 1 81 PRO QB 1 85 LEU HG 5.000 . 6.000 3.256 3.053 4.214 . 0 0 "[ . 1 . 2 .]" 1
2177 2 81 PRO QB 2 85 LEU HG 5.000 . 6.000 3.281 2.985 4.704 . 0 0 "[ . 1 . 2 .]" 1
2178 1 81 PRO QB 1 85 LEU QD 4.000 . 7.400 2.207 2.097 2.920 . 0 0 "[ . 1 . 2 .]" 1
2179 2 81 PRO QB 2 85 LEU QD 4.000 . 7.400 2.175 1.967 2.892 . 0 0 "[ . 1 . 2 .]" 1
2180 1 81 PRO QG 1 85 LEU QD 4.000 . 7.400 3.879 2.908 4.038 . 0 0 "[ . 1 . 2 .]" 1
2181 2 81 PRO QG 2 85 LEU QD 4.000 . 7.400 3.875 2.723 4.023 . 0 0 "[ . 1 . 2 .]" 1
2182 1 82 GLY QA 1 83 LYS H 3.500 . 4.500 2.835 2.257 2.894 . 0 0 "[ . 1 . 2 .]" 1
2183 2 82 GLY QA 2 83 LYS H 3.500 . 4.500 2.834 2.282 2.904 . 0 0 "[ . 1 . 2 .]" 1
2184 1 82 GLY QA 1 84 ALA H 5.000 . 6.000 3.355 3.278 3.727 . 0 0 "[ . 1 . 2 .]" 1
2185 2 82 GLY QA 2 84 ALA H 5.000 . 6.000 3.359 3.263 4.129 . 0 0 "[ . 1 . 2 .]" 1
2186 1 82 GLY H 1 85 LEU QD 5.000 . 7.400 4.859 4.302 5.108 . 0 0 "[ . 1 . 2 .]" 1
2187 2 82 GLY H 2 85 LEU QD 5.000 . 7.400 4.888 4.357 5.077 . 0 0 "[ . 1 . 2 .]" 1
2188 1 82 GLY QA 1 85 LEU H 3.600 . 4.600 3.890 3.661 4.303 . 0 0 "[ . 1 . 2 .]" 1
2189 2 82 GLY QA 2 85 LEU H 3.600 . 4.600 3.890 3.841 4.038 . 0 0 "[ . 1 . 2 .]" 1
2190 1 82 GLY H 1 85 LEU H 5.000 . 5.000 4.895 4.049 5.035 0.035 24 0 "[ . 1 . 2 .]" 1
2191 2 82 GLY H 2 85 LEU H 5.000 . 5.000 4.908 4.396 5.035 0.035 11 0 "[ . 1 . 2 .]" 1
2192 1 82 GLY H 1 85 LEU HB3 5.000 . 5.000 4.639 3.764 4.873 . 0 0 "[ . 1 . 2 .]" 1
2193 2 82 GLY H 2 85 LEU HB3 5.000 . 5.000 4.685 4.008 4.835 . 0 0 "[ . 1 . 2 .]" 1
2194 1 83 LYS H 1 84 ALA H 3.500 . 3.500 3.232 3.196 3.289 . 0 0 "[ . 1 . 2 .]" 1
2195 2 83 LYS H 2 84 ALA H 3.500 . 3.500 3.213 2.925 3.245 . 0 0 "[ . 1 . 2 .]" 1
2196 1 83 LYS H 1 84 ALA MB 5.000 . 5.300 4.414 4.366 4.434 . 0 0 "[ . 1 . 2 .]" 1
2197 2 83 LYS H 2 84 ALA MB 5.000 . 5.300 4.414 4.381 4.438 . 0 0 "[ . 1 . 2 .]" 1
2198 1 83 LYS HA 1 84 ALA H 4.000 . 4.000 3.346 3.321 3.447 . 0 0 "[ . 1 . 2 .]" 1
2199 2 83 LYS HA 2 84 ALA H 4.000 . 4.000 3.333 3.271 3.412 . 0 0 "[ . 1 . 2 .]" 1
2200 1 83 LYS HA 1 84 ALA HA 5.000 . 5.000 5.011 4.984 5.026 0.026 4 0 "[ . 1 . 2 .]" 1
2201 2 83 LYS HA 2 84 ALA HA 5.000 . 5.000 5.004 4.774 5.025 0.025 3 0 "[ . 1 . 2 .]" 1
2202 1 83 LYS HB3 1 84 ALA H 2.800 . 2.800 2.933 2.895 2.953 0.153 3 0 "[ . 1 . 2 .]" 1
2203 2 83 LYS HB3 2 84 ALA H 2.800 . 2.800 2.931 2.891 2.961 0.161 11 0 "[ . 1 . 2 .]" 1
2204 1 83 LYS HB3 1 84 ALA MB 5.000 . 5.300 4.024 3.940 4.083 . 0 0 "[ . 1 . 2 .]" 1
2205 2 83 LYS HB3 2 84 ALA MB 5.000 . 5.300 4.007 3.643 4.091 . 0 0 "[ . 1 . 2 .]" 1
2206 1 83 LYS HB2 1 84 ALA H 2.800 . 2.800 2.897 2.848 2.950 0.150 6 0 "[ . 1 . 2 .]" 1
2207 2 83 LYS HB2 2 84 ALA H 2.800 . 2.800 2.905 2.855 2.953 0.153 2 0 "[ . 1 . 2 .]" 1
2208 1 83 LYS H 1 85 LEU H 5.000 . 5.000 3.954 3.568 4.027 . 0 0 "[ . 1 . 2 .]" 1
2209 2 83 LYS H 2 85 LEU H 5.000 . 5.000 4.003 3.774 4.554 . 0 0 "[ . 1 . 2 .]" 1
2210 1 83 LYS HA 1 85 LEU H 5.000 . 5.000 4.682 4.540 4.781 . 0 0 "[ . 1 . 2 .]" 1
2211 2 83 LYS HA 2 85 LEU H 5.000 . 5.000 4.695 4.540 5.031 0.031 4 0 "[ . 1 . 2 .]" 1
2212 1 83 LYS HA 1 86 LYS H 3.600 . 3.600 3.647 3.624 3.674 0.074 2 0 "[ . 1 . 2 .]" 1
2213 2 83 LYS HA 2 86 LYS H 3.600 . 3.600 3.646 3.575 3.779 0.179 4 0 "[ . 1 . 2 .]" 1
2214 1 83 LYS HA 1 86 LYS QB 4.000 . 5.000 2.652 2.383 2.955 . 0 0 "[ . 1 . 2 .]" 1
2215 2 83 LYS HA 2 86 LYS QB 4.000 . 5.000 2.650 2.483 2.860 . 0 0 "[ . 1 . 2 .]" 1
2216 1 83 LYS HA 1 87 ASP H 5.000 . 5.000 4.844 4.487 5.015 0.015 12 0 "[ . 1 . 2 .]" 1
2217 2 83 LYS HA 2 87 ASP H 5.000 . 5.000 4.845 4.668 5.056 0.056 13 0 "[ . 1 . 2 .]" 1
2218 1 84 ALA H 1 84 ALA MB 2.800 . 3.100 2.073 2.041 2.099 . 0 0 "[ . 1 . 2 .]" 1
2219 2 84 ALA H 2 84 ALA MB 2.800 . 3.100 2.081 2.064 2.161 . 0 0 "[ . 1 . 2 .]" 1
2220 1 84 ALA H 1 85 LEU H 2.800 . 2.800 2.941 2.918 2.958 0.158 25 0 "[ . 1 . 2 .]" 1
2221 2 84 ALA H 2 85 LEU H 2.800 . 2.800 2.933 2.684 2.952 0.152 24 0 "[ . 1 . 2 .]" 1
2222 1 84 ALA HA 1 85 LEU H 4.000 . 4.000 3.685 3.656 3.731 . 0 0 "[ . 1 . 2 .]" 1
2223 2 84 ALA HA 2 85 LEU H 4.000 . 4.000 3.687 3.663 3.814 . 0 0 "[ . 1 . 2 .]" 1
2224 1 84 ALA H 1 85 LEU HA 5.500 . 5.500 5.574 5.553 5.588 0.088 7 0 "[ . 1 . 2 .]" 1
2225 2 84 ALA H 2 85 LEU HA 5.500 . 5.500 5.565 5.316 5.589 0.089 8 0 "[ . 1 . 2 .]" 1
2226 1 84 ALA MB 1 85 LEU H 2.800 . 3.100 2.330 2.295 2.408 . 0 0 "[ . 1 . 2 .]" 1
2227 2 84 ALA MB 2 85 LEU H 2.800 . 3.100 2.328 2.308 2.371 . 0 0 "[ . 1 . 2 .]" 1
2228 1 84 ALA H 1 86 LYS H 5.000 . 5.000 3.995 3.888 4.200 . 0 0 "[ . 1 . 2 .]" 1
2229 2 84 ALA H 2 86 LYS H 5.000 . 5.000 3.983 3.558 4.255 . 0 0 "[ . 1 . 2 .]" 1
2230 1 84 ALA HA 1 86 LYS H 5.000 . 5.000 4.498 4.413 4.643 . 0 0 "[ . 1 . 2 .]" 1
2231 2 84 ALA HA 2 86 LYS H 5.000 . 5.000 4.503 4.339 4.724 . 0 0 "[ . 1 . 2 .]" 1
2232 1 84 ALA HA 1 87 ASP H 4.000 . 4.000 3.541 3.494 3.596 . 0 0 "[ . 1 . 2 .]" 1
2233 2 84 ALA HA 2 87 ASP H 4.000 . 4.000 3.541 3.484 3.604 . 0 0 "[ . 1 . 2 .]" 1
2234 1 84 ALA HA 1 87 ASP HB3 4.000 . 4.000 3.703 3.551 3.826 . 0 0 "[ . 1 . 2 .]" 1
2235 2 84 ALA HA 2 87 ASP HB3 4.000 . 4.000 3.703 3.425 4.024 0.024 4 0 "[ . 1 . 2 .]" 1
2236 1 84 ALA HA 1 87 ASP HB2 4.000 . 4.000 2.963 2.704 3.110 . 0 0 "[ . 1 . 2 .]" 1
2237 2 84 ALA HA 2 87 ASP HB2 4.000 . 4.000 2.933 2.730 3.245 . 0 0 "[ . 1 . 2 .]" 1
2238 1 84 ALA MB 1 87 ASP HB2 5.500 . 5.800 4.558 4.325 4.690 . 0 0 "[ . 1 . 2 .]" 1
2239 2 84 ALA MB 2 87 ASP HB2 5.500 . 5.800 4.530 4.363 4.704 . 0 0 "[ . 1 . 2 .]" 1
2240 1 84 ALA MB 1 87 ASP H 5.000 . 5.300 4.559 4.534 4.582 . 0 0 "[ . 1 . 2 .]" 1
2241 2 84 ALA MB 2 87 ASP H 5.000 . 5.300 4.560 4.536 4.582 . 0 0 "[ . 1 . 2 .]" 1
2242 1 84 ALA HA 1 88 ALA H 5.000 . 5.000 4.552 4.440 4.734 . 0 0 "[ . 1 . 2 .]" 1
2243 2 84 ALA HA 2 88 ALA H 5.000 . 5.000 4.542 4.350 4.807 . 0 0 "[ . 1 . 2 .]" 1
2244 1 85 LEU H 1 85 LEU HB2 2.800 . 2.800 2.734 2.630 2.810 0.010 9 0 "[ . 1 . 2 .]" 1
2245 2 85 LEU H 2 85 LEU HB2 2.800 . 2.800 2.711 2.244 2.813 0.013 11 0 "[ . 1 . 2 .]" 1
2246 1 85 LEU HA 1 85 LEU HG 2.800 . 2.800 2.866 2.814 2.891 0.091 8 0 "[ . 1 . 2 .]" 1
2247 2 85 LEU HA 2 85 LEU HG 2.800 . 2.800 2.871 2.842 2.899 0.099 13 0 "[ . 1 . 2 .]" 1
2248 1 85 LEU H 1 85 LEU HB3 2.790 . 2.790 2.469 2.423 2.557 . 0 0 "[ . 1 . 2 .]" 1
2249 2 85 LEU H 2 85 LEU HB3 2.790 . 2.790 2.464 2.305 2.518 . 0 0 "[ . 1 . 2 .]" 1
2250 1 85 LEU H 1 85 LEU HG 4.000 . 4.000 4.305 4.283 4.342 0.342 9 0 "[ . 1 . 2 .]" 1
2251 2 85 LEU H 2 85 LEU HG 4.000 . 4.000 4.299 4.221 4.317 0.317 5 0 "[ . 1 . 2 .]" 1
2252 1 85 LEU QD 1 86 LYS H 2.800 . 5.200 3.965 3.913 3.985 . 0 0 "[ . 1 . 2 .]" 1
2253 2 85 LEU QD 2 86 LYS H 2.800 . 5.200 3.969 3.911 4.037 . 0 0 "[ . 1 . 2 .]" 1
2254 1 85 LEU HG 1 86 LYS H 4.000 . 4.000 3.716 3.641 3.785 . 0 0 "[ . 1 . 2 .]" 1
2255 2 85 LEU HG 2 86 LYS H 4.000 . 4.000 3.714 3.595 3.992 . 0 0 "[ . 1 . 2 .]" 1
2256 1 85 LEU H 1 86 LYS H 2.800 . 2.800 2.540 2.437 2.671 . 0 0 "[ . 1 . 2 .]" 1
2257 2 85 LEU H 2 86 LYS H 2.800 . 2.800 2.560 2.499 2.693 . 0 0 "[ . 1 . 2 .]" 1
2258 1 85 LEU HA 1 86 LYS H 3.600 . 3.600 3.556 3.535 3.592 . 0 0 "[ . 1 . 2 .]" 1
2259 2 85 LEU HA 2 86 LYS H 3.600 . 3.600 3.559 3.512 3.624 0.024 4 0 "[ . 1 . 2 .]" 1
2260 1 85 LEU HB2 1 86 LYS H 4.000 . 4.000 4.091 4.062 4.116 0.116 14 0 "[ . 1 . 2 .]" 1
2261 2 85 LEU HB2 2 86 LYS H 4.000 . 4.000 4.088 3.997 4.133 0.133 11 0 "[ . 1 . 2 .]" 1
2262 1 85 LEU H 1 87 ASP H 5.000 . 5.000 4.084 3.970 4.215 . 0 0 "[ . 1 . 2 .]" 1
2263 2 85 LEU H 2 87 ASP H 5.000 . 5.000 4.091 4.005 4.287 . 0 0 "[ . 1 . 2 .]" 1
2264 1 85 LEU HA 1 88 ALA H 3.600 . 3.600 3.052 2.962 3.162 . 0 0 "[ . 1 . 2 .]" 1
2265 2 85 LEU HA 2 88 ALA H 3.600 . 3.600 3.048 2.882 3.112 . 0 0 "[ . 1 . 2 .]" 1
2266 1 85 LEU HA 1 88 ALA MB 4.000 . 4.300 2.390 2.230 2.737 . 0 0 "[ . 1 . 2 .]" 1
2267 2 85 LEU HA 2 88 ALA MB 4.000 . 4.300 2.355 2.197 2.525 . 0 0 "[ . 1 . 2 .]" 1
2268 1 85 LEU HG 1 88 ALA MB 4.000 . 4.300 3.364 3.318 3.412 . 0 0 "[ . 1 . 2 .]" 1
2269 2 85 LEU HG 2 88 ALA MB 4.000 . 4.300 3.362 3.244 3.400 . 0 0 "[ . 1 . 2 .]" 1
2270 1 85 LEU HG 1 88 ALA H 5.000 . 5.000 4.788 4.640 4.851 . 0 0 "[ . 1 . 2 .]" 1
2271 2 85 LEU HG 2 88 ALA H 5.000 . 5.000 4.811 4.721 4.884 . 0 0 "[ . 1 . 2 .]" 1
2272 1 85 LEU HA 1 89 VAL H 5.000 . 5.000 4.122 3.925 4.485 . 0 0 "[ . 1 . 2 .]" 1
2273 2 85 LEU HA 2 89 VAL H 5.000 . 5.000 4.071 3.792 4.191 . 0 0 "[ . 1 . 2 .]" 1
2274 1 85 LEU HG 1 89 VAL H 4.000 . 4.000 4.018 3.787 4.181 0.181 4 0 "[ . 1 . 2 .]" 1
2275 2 85 LEU HG 2 89 VAL H 4.000 . 4.000 4.000 3.716 4.108 0.108 12 0 "[ . 1 . 2 .]" 1
2276 1 85 LEU HG 1 89 VAL HB 5.000 . 5.000 2.976 2.769 4.638 . 0 0 "[ . 1 . 2 .]" 1
2277 2 85 LEU HG 2 89 VAL HB 5.000 . 5.000 3.004 2.565 5.065 0.065 12 0 "[ . 1 . 2 .]" 1
2278 1 85 LEU HG 1 89 VAL MG1 3.500 . 3.800 2.899 2.288 2.987 . 0 0 "[ . 1 . 2 .]" 1
2279 2 85 LEU HG 2 89 VAL MG1 3.500 . 3.800 2.896 2.226 3.096 . 0 0 "[ . 1 . 2 .]" 1
2280 1 85 LEU QD 1 89 VAL MG2 4.000 . 6.700 3.079 2.750 3.847 . 0 0 "[ . 1 . 2 .]" 1
2281 2 85 LEU QD 2 89 VAL MG2 4.000 . 6.700 3.089 2.701 3.825 . 0 0 "[ . 1 . 2 .]" 1
2282 1 86 LYS H 1 86 LYS QG 3.500 . 4.500 4.052 3.774 4.137 . 0 0 "[ . 1 . 2 .]" 1
2283 2 86 LYS H 2 86 LYS QG 3.500 . 4.500 4.000 2.525 4.127 . 0 0 "[ . 1 . 2 .]" 1
2284 1 86 LYS H 1 87 ASP H 2.800 . 2.800 2.854 2.832 2.863 0.063 22 0 "[ . 1 . 2 .]" 1
2285 2 86 LYS H 2 87 ASP H 2.800 . 2.800 2.855 2.838 2.887 0.087 13 0 "[ . 1 . 2 .]" 1
2286 1 86 LYS HA 1 87 ASP H 3.600 . 3.600 3.528 3.494 3.568 . 0 0 "[ . 1 . 2 .]" 1
2287 2 86 LYS HA 2 87 ASP H 3.600 . 3.600 3.523 3.437 3.564 . 0 0 "[ . 1 . 2 .]" 1
2288 1 86 LYS HA 1 87 ASP HA 5.000 . 5.000 4.772 4.706 4.908 . 0 0 "[ . 1 . 2 .]" 1
2289 2 86 LYS HA 2 87 ASP HA 5.000 . 5.000 4.773 4.671 4.826 . 0 0 "[ . 1 . 2 .]" 1
2290 1 86 LYS QB 1 87 ASP H 3.500 . 4.500 3.188 3.046 3.292 . 0 0 "[ . 1 . 2 .]" 1
2291 2 86 LYS QB 2 87 ASP H 3.500 . 4.500 3.196 3.047 3.322 . 0 0 "[ . 1 . 2 .]" 1
2292 1 86 LYS H 1 88 ALA H 5.000 . 5.000 4.352 4.289 4.406 . 0 0 "[ . 1 . 2 .]" 1
2293 2 86 LYS H 2 88 ALA H 5.000 . 5.000 4.356 4.307 4.396 . 0 0 "[ . 1 . 2 .]" 1
2294 1 86 LYS H 1 89 VAL H 5.000 . 5.000 5.022 4.939 5.081 0.081 4 0 "[ . 1 . 2 .]" 1
2295 2 86 LYS H 2 89 VAL H 5.000 . 5.000 5.013 4.919 5.043 0.043 12 0 "[ . 1 . 2 .]" 1
2296 1 86 LYS H 1 89 VAL MG1 5.000 . 5.300 3.955 3.900 4.070 . 0 0 "[ . 1 . 2 .]" 1
2297 2 86 LYS H 2 89 VAL MG1 5.000 . 5.300 3.952 3.837 4.241 . 0 0 "[ . 1 . 2 .]" 1
2298 1 86 LYS HA 1 89 VAL MG2 5.000 . 5.300 4.365 4.187 4.466 . 0 0 "[ . 1 . 2 .]" 1
2299 2 86 LYS HA 2 89 VAL MG2 5.000 . 5.300 4.288 2.372 4.442 . 0 0 "[ . 1 . 2 .]" 1
2300 1 86 LYS HA 1 89 VAL H 3.600 . 3.600 3.665 3.519 3.693 0.093 1 0 "[ . 1 . 2 .]" 1
2301 2 86 LYS HA 2 89 VAL H 3.600 . 3.600 3.673 3.631 3.717 0.117 13 0 "[ . 1 . 2 .]" 1
2302 1 87 ASP H 1 87 ASP HB3 2.800 . 2.800 2.945 2.938 2.950 0.150 8 0 "[ . 1 . 2 .]" 1
2303 2 87 ASP H 2 87 ASP HB3 2.800 . 2.800 2.947 2.928 2.966 0.166 13 0 "[ . 1 . 2 .]" 1
2304 1 87 ASP H 1 87 ASP HB2 2.800 . 2.800 2.150 2.047 2.234 . 0 0 "[ . 1 . 2 .]" 1
2305 2 87 ASP H 2 87 ASP HB2 2.800 . 2.800 2.135 2.052 2.220 . 0 0 "[ . 1 . 2 .]" 1
2306 1 87 ASP HB2 1 89 VAL H 5.500 . 5.500 5.602 5.584 5.641 0.141 4 0 "[ . 1 . 2 .]" 1
2307 2 87 ASP HB2 2 89 VAL H 5.500 . 5.500 5.602 5.580 5.631 0.131 5 0 "[ . 1 . 2 .]" 1
2308 1 87 ASP H 1 88 ALA H 2.800 . 2.800 2.442 2.347 2.536 . 0 0 "[ . 1 . 2 .]" 1
2309 2 87 ASP H 2 88 ALA H 2.800 . 2.800 2.440 2.344 2.502 . 0 0 "[ . 1 . 2 .]" 1
2310 1 87 ASP HA 1 88 ALA H 4.000 . 4.000 3.599 3.576 3.634 . 0 0 "[ . 1 . 2 .]" 1
2311 2 87 ASP HA 2 88 ALA H 4.000 . 4.000 3.601 3.577 3.617 . 0 0 "[ . 1 . 2 .]" 1
2312 1 87 ASP H 1 88 ALA MB 5.000 . 5.300 4.138 4.025 4.343 . 0 0 "[ . 1 . 2 .]" 1
2313 2 87 ASP H 2 88 ALA MB 5.000 . 5.300 4.119 4.025 4.287 . 0 0 "[ . 1 . 2 .]" 1
2314 1 87 ASP HB3 1 88 ALA H 3.500 . 3.500 2.767 2.689 2.834 . 0 0 "[ . 1 . 2 .]" 1
2315 2 87 ASP HB3 2 88 ALA H 3.500 . 3.500 2.745 2.696 2.825 . 0 0 "[ . 1 . 2 .]" 1
2316 1 87 ASP HB2 1 88 ALA H 3.500 . 3.500 3.414 3.314 3.502 0.002 18 0 "[ . 1 . 2 .]" 1
2317 2 87 ASP HB2 2 88 ALA H 3.500 . 3.500 3.381 3.299 3.507 0.007 4 0 "[ . 1 . 2 .]" 1
2318 1 87 ASP H 1 89 VAL H 5.000 . 5.000 4.032 3.955 4.130 . 0 0 "[ . 1 . 2 .]" 1
2319 2 87 ASP H 2 89 VAL H 5.000 . 5.000 4.041 3.925 4.138 . 0 0 "[ . 1 . 2 .]" 1
2320 1 87 ASP HA 1 89 VAL H 5.000 . 5.000 4.350 4.212 4.568 . 0 0 "[ . 1 . 2 .]" 1
2321 2 87 ASP HA 2 89 VAL H 5.000 . 5.000 4.402 4.189 4.570 . 0 0 "[ . 1 . 2 .]" 1
2322 1 87 ASP H 1 90 LYS QD 5.000 . 6.000 4.950 4.655 5.140 . 0 0 "[ . 1 . 2 .]" 1
2323 2 87 ASP H 2 90 LYS QD 5.000 . 6.000 4.975 4.588 5.294 . 0 0 "[ . 1 . 2 .]" 1
2324 1 87 ASP H 1 90 LYS H 5.000 . 5.000 5.012 4.930 5.047 0.047 4 0 "[ . 1 . 2 .]" 1
2325 2 87 ASP H 2 90 LYS H 5.000 . 5.000 5.008 4.819 5.068 0.068 13 0 "[ . 1 . 2 .]" 1
2326 1 87 ASP HA 1 90 LYS HA 5.500 . 5.500 5.431 5.074 5.593 0.093 18 0 "[ . 1 . 2 .]" 1
2327 2 87 ASP HA 2 90 LYS HA 5.500 . 5.500 5.356 4.997 5.562 0.062 24 0 "[ . 1 . 2 .]" 1
2328 1 87 ASP HA 1 90 LYS QG 4.000 . 5.000 3.821 2.666 4.446 . 0 0 "[ . 1 . 2 .]" 1
2329 2 87 ASP HA 2 90 LYS QG 4.000 . 5.000 3.998 2.920 4.512 . 0 0 "[ . 1 . 2 .]" 1
2330 1 87 ASP HA 1 90 LYS QD 2.800 . 3.800 2.614 2.223 2.964 . 0 0 "[ . 1 . 2 .]" 1
2331 2 87 ASP HA 2 90 LYS QD 2.800 . 3.800 2.630 2.246 3.053 . 0 0 "[ . 1 . 2 .]" 1
2332 1 87 ASP HA 1 90 LYS QE 4.000 . 5.000 3.813 2.788 4.534 . 0 0 "[ . 1 . 2 .]" 1
2333 2 87 ASP HA 2 90 LYS QE 4.000 . 5.000 3.905 2.747 4.559 . 0 0 "[ . 1 . 2 .]" 1
2334 1 87 ASP HA 1 90 LYS H 3.600 . 3.600 3.618 3.546 3.655 0.055 17 0 "[ . 1 . 2 .]" 1
2335 2 87 ASP HA 2 90 LYS H 3.600 . 3.600 3.638 3.608 3.684 0.084 13 0 "[ . 1 . 2 .]" 1
2336 1 87 ASP HA 1 90 LYS QB 5.000 . 6.000 2.836 2.468 3.345 . 0 0 "[ . 1 . 2 .]" 1
2337 2 87 ASP HA 2 90 LYS QB 5.000 . 6.000 2.767 2.505 3.265 . 0 0 "[ . 1 . 2 .]" 1
2338 1 88 ALA H 1 88 ALA MB 2.800 . 3.100 2.327 2.288 2.427 . 0 0 "[ . 1 . 2 .]" 1
2339 2 88 ALA H 2 88 ALA MB 2.800 . 3.100 2.315 2.289 2.386 . 0 0 "[ . 1 . 2 .]" 1
2340 1 88 ALA H 1 89 VAL H 2.800 . 2.800 2.815 2.803 2.841 0.041 4 0 "[ . 1 . 2 .]" 1
2341 2 88 ALA H 2 89 VAL H 2.800 . 2.800 2.815 2.805 2.834 0.034 4 0 "[ . 1 . 2 .]" 1
2342 1 88 ALA HA 1 89 VAL H 3.600 . 3.600 3.590 3.559 3.629 0.029 4 0 "[ . 1 . 2 .]" 1
2343 2 88 ALA HA 2 89 VAL H 3.600 . 3.600 3.577 3.497 3.614 0.014 24 0 "[ . 1 . 2 .]" 1
2344 1 88 ALA MB 1 89 VAL H 4.000 . 4.300 2.378 2.201 2.550 . 0 0 "[ . 1 . 2 .]" 1
2345 2 88 ALA MB 2 89 VAL H 4.000 . 4.300 2.333 2.065 2.608 . 0 0 "[ . 1 . 2 .]" 1
2346 1 88 ALA MB 1 89 VAL MG2 5.000 . 5.600 3.752 3.721 3.973 . 0 0 "[ . 1 . 2 .]" 1
2347 2 88 ALA MB 2 89 VAL MG2 5.000 . 5.600 3.756 3.692 3.923 . 0 0 "[ . 1 . 2 .]" 1
2348 1 88 ALA H 1 90 LYS H 5.000 . 5.000 4.376 4.271 4.494 . 0 0 "[ . 1 . 2 .]" 1
2349 2 88 ALA H 2 90 LYS H 5.000 . 5.000 4.368 4.207 4.468 . 0 0 "[ . 1 . 2 .]" 1
2350 1 88 ALA MB 2 37 ARG QD 4.000 . 5.300 3.244 2.497 3.693 . 0 0 "[ . 1 . 2 .]" 1
2351 1 37 ARG QD 2 88 ALA MB 4.000 . 5.300 3.269 2.600 3.673 . 0 0 "[ . 1 . 2 .]" 1
2352 1 89 VAL H 1 89 VAL HB 4.000 . 4.000 2.123 1.998 2.949 . 0 0 "[ . 1 . 2 .]" 1
2353 2 89 VAL H 2 89 VAL HB 4.000 . 4.000 2.131 2.010 3.663 . 0 0 "[ . 1 . 2 .]" 1
2354 1 89 VAL H 1 89 VAL MG2 3.500 . 3.800 3.457 3.403 3.506 . 0 0 "[ . 1 . 2 .]" 1
2355 2 89 VAL H 2 89 VAL MG2 3.500 . 3.800 3.419 2.752 3.487 . 0 0 "[ . 1 . 2 .]" 1
2356 1 89 VAL H 1 89 VAL MG1 3.500 . 3.800 2.117 1.895 2.420 . 0 0 "[ . 1 . 2 .]" 1
2357 2 89 VAL H 2 89 VAL MG1 3.500 . 3.800 2.149 2.074 2.303 . 0 0 "[ . 1 . 2 .]" 1
2358 1 89 VAL HA 1 89 VAL MG1 3.500 . 3.800 3.284 3.269 3.310 . 0 0 "[ . 1 . 2 .]" 1
2359 2 89 VAL HA 2 89 VAL MG1 3.500 . 3.800 3.266 2.876 3.297 . 0 0 "[ . 1 . 2 .]" 1
2360 1 89 VAL H 1 90 LYS H 2.800 . 2.800 2.614 2.480 2.808 0.008 9 0 "[ . 1 . 2 .]" 1
2361 2 89 VAL H 2 90 LYS H 2.800 . 2.800 2.647 2.504 2.805 0.005 5 0 "[ . 1 . 2 .]" 1
2362 1 89 VAL H 1 90 LYS QB 4.000 . 5.000 4.249 4.141 4.334 . 0 0 "[ . 1 . 2 .]" 1
2363 2 89 VAL H 2 90 LYS QB 4.000 . 5.000 4.232 4.088 4.309 . 0 0 "[ . 1 . 2 .]" 1
2364 1 89 VAL HA 1 90 LYS HA 5.000 . 5.000 4.901 4.742 4.961 . 0 0 "[ . 1 . 2 .]" 1
2365 2 89 VAL HA 2 90 LYS HA 5.000 . 5.000 4.933 4.699 5.049 0.049 13 0 "[ . 1 . 2 .]" 1
2366 1 89 VAL HA 1 90 LYS H 3.600 . 3.600 3.413 3.203 3.465 . 0 0 "[ . 1 . 2 .]" 1
2367 2 89 VAL HA 2 90 LYS H 3.600 . 3.600 3.418 3.362 3.478 . 0 0 "[ . 1 . 2 .]" 1
2368 1 89 VAL HB 1 90 LYS H 5.000 . 5.000 4.171 4.027 4.702 . 0 0 "[ . 1 . 2 .]" 1
2369 2 89 VAL HB 2 90 LYS H 5.000 . 5.000 4.171 4.062 4.376 . 0 0 "[ . 1 . 2 .]" 1
2370 1 89 VAL MG1 1 90 LYS HA 5.000 . 5.300 3.505 3.311 4.243 . 0 0 "[ . 1 . 2 .]" 1
2371 2 89 VAL MG1 2 90 LYS HA 5.000 . 5.300 3.500 3.301 4.692 . 0 0 "[ . 1 . 2 .]" 1
2372 1 90 LYS HA 2 75 LYS H 4.000 . 4.000 3.512 2.644 4.019 0.019 8 0 "[ . 1 . 2 .]" 1
2373 1 75 LYS H 2 90 LYS HA 4.000 . 4.000 3.670 3.143 4.219 0.219 13 0 "[ . 1 . 2 .]" 1
2374 1 26 ASP HA 1 29 PHE QD 4.000 . 6.000 3.886 3.527 4.178 . 0 0 "[ . 1 . 2 .]" 1
2375 2 26 ASP HA 2 29 PHE QD 4.000 . 6.000 3.914 3.485 4.197 . 0 0 "[ . 1 . 2 .]" 1
2376 1 29 PHE HA 1 50 PHE QE 4.000 . 6.000 5.676 5.607 5.775 . 0 0 "[ . 1 . 2 .]" 1
2377 2 29 PHE HA 2 50 PHE QE 4.000 . 6.000 5.621 4.548 5.826 . 0 0 "[ . 1 . 2 .]" 1
2378 1 29 PHE HB3 1 50 PHE QE 5.000 . 7.000 6.412 6.304 6.551 . 0 0 "[ . 1 . 2 .]" 1
2379 2 29 PHE HB3 2 50 PHE QE 5.000 . 7.000 6.404 5.820 6.569 . 0 0 "[ . 1 . 2 .]" 1
2380 1 29 PHE HZ 1 32 ILE MD 5.000 . 5.300 4.466 4.283 4.568 . 0 0 "[ . 1 . 2 .]" 1
2381 2 29 PHE HZ 2 32 ILE MD 5.000 . 5.300 4.456 4.278 4.641 . 0 0 "[ . 1 . 2 .]" 1
2382 1 29 PHE QD 1 32 ILE MD 5.000 . 7.300 2.290 2.124 2.789 . 0 0 "[ . 1 . 2 .]" 1
2383 2 29 PHE QD 2 32 ILE MD 5.000 . 7.300 2.272 2.110 2.691 . 0 0 "[ . 1 . 2 .]" 1
2384 1 29 PHE QD 1 32 ILE HB 5.000 . 7.000 3.588 3.355 4.063 . 0 0 "[ . 1 . 2 .]" 1
2385 2 29 PHE QD 2 32 ILE HB 5.000 . 7.000 3.612 3.255 4.120 . 0 0 "[ . 1 . 2 .]" 1
2386 1 29 PHE QE 1 32 ILE MD 3.500 . 5.800 2.884 2.740 3.227 . 0 0 "[ . 1 . 2 .]" 1
2387 2 29 PHE QE 2 32 ILE MD 3.500 . 5.800 2.868 2.667 3.068 . 0 0 "[ . 1 . 2 .]" 1
2388 1 32 ILE QG 1 50 PHE QD 5.000 . 8.000 4.450 3.158 5.181 . 0 0 "[ . 1 . 2 .]" 1
2389 2 32 ILE QG 2 50 PHE QD 5.000 . 8.000 4.461 3.268 5.001 . 0 0 "[ . 1 . 2 .]" 1
2390 1 32 ILE HB 1 50 PHE QE 4.000 . 6.000 4.834 4.680 5.031 . 0 0 "[ . 1 . 2 .]" 1
2391 2 32 ILE HB 2 50 PHE QE 4.000 . 6.000 4.812 3.689 5.114 . 0 0 "[ . 1 . 2 .]" 1
2392 1 36 LEU HA 1 50 PHE QD 5.500 . 7.500 6.786 6.583 6.914 . 0 0 "[ . 1 . 2 .]" 1
2393 2 36 LEU HA 2 50 PHE QD 5.500 . 7.500 6.763 6.290 6.949 . 0 0 "[ . 1 . 2 .]" 1
2394 1 44 LEU QD 2 29 PHE QD 5.000 . 9.400 2.871 2.610 3.281 . 0 0 "[ . 1 . 2 .]" 1
2395 1 29 PHE QD 2 44 LEU QD 5.000 . 9.400 2.945 2.547 3.509 . 0 0 "[ . 1 . 2 .]" 1
2396 1 44 LEU QD 2 29 PHE QE 4.000 . 8.400 2.656 2.309 2.960 . 0 0 "[ . 1 . 2 .]" 1
2397 1 29 PHE QE 2 44 LEU QD 4.000 . 8.400 2.712 2.393 3.081 . 0 0 "[ . 1 . 2 .]" 1
2398 1 47 PHE QE 1 85 LEU HB2 3.500 . 5.500 3.978 3.241 4.318 . 0 0 "[ . 1 . 2 .]" 1
2399 2 47 PHE QE 2 85 LEU HB2 3.500 . 5.500 3.973 3.200 4.305 . 0 0 "[ . 1 . 2 .]" 1
2400 1 47 PHE HZ 1 85 LEU HB2 5.000 . 5.000 5.079 4.968 5.149 0.149 15 0 "[ . 1 . 2 .]" 1
2401 2 47 PHE HZ 2 85 LEU HB2 5.000 . 5.000 5.081 5.025 5.120 0.120 5 0 "[ . 1 . 2 .]" 1
2402 1 47 PHE HZ 2 50 PHE QE 4.000 . 6.000 3.478 2.725 4.534 . 0 0 "[ . 1 . 2 .]" 1
2403 1 50 PHE QE 2 47 PHE HZ 4.000 . 6.000 3.408 2.849 4.483 . 0 0 "[ . 1 . 2 .]" 1
2404 1 50 PHE QD 1 79 PHE HA 5.000 . 7.000 3.589 2.835 3.794 . 0 0 "[ . 1 . 2 .]" 1
2405 2 50 PHE QD 2 79 PHE HA 5.000 . 7.000 3.514 2.097 3.761 . 0 0 "[ . 1 . 2 .]" 1
2406 1 50 PHE QE 1 79 PHE HA 5.000 . 7.000 4.738 4.387 4.883 . 0 0 "[ . 1 . 2 .]" 1
2407 2 50 PHE QE 2 79 PHE HA 5.000 . 7.000 4.707 4.042 4.859 . 0 0 "[ . 1 . 2 .]" 1
2408 1 50 PHE HZ 1 79 PHE HA 5.500 . 5.500 5.781 5.698 5.848 0.348 6 0 "[ . 1 . 2 .]" 1
2409 2 50 PHE HZ 2 79 PHE HA 5.500 . 5.500 5.795 5.719 5.944 0.444 11 0 "[ . 1 . 2 .]" 1
2410 1 29 PHE QD 2 47 PHE QD 4.000 . 8.000 3.593 3.195 4.379 . 0 0 "[ . 1 . 2 .]" 1
2411 1 47 PHE QD 2 29 PHE QD 4.000 . 8.000 3.566 3.282 4.550 . 0 0 "[ . 1 . 2 .]" 1
2412 1 29 PHE HA 2 47 PHE QD 5.000 . 7.000 4.519 4.313 4.894 . 0 0 "[ . 1 . 2 .]" 1
2413 1 47 PHE QD 2 29 PHE HA 5.000 . 7.000 4.463 4.033 5.063 . 0 0 "[ . 1 . 2 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 50
_Distance_constraint_stats_list.Viol_count 318
_Distance_constraint_stats_list.Viol_total 259.279
_Distance_constraint_stats_list.Viol_max 0.419
_Distance_constraint_stats_list.Viol_rms 0.0284
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0083
_Distance_constraint_stats_list.Viol_average_violations_only 0.0326
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 THR 0.437 0.079 5 0 "[ . 1 . 2 .]"
1 6 LEU 0.434 0.053 3 0 "[ . 1 . 2 .]"
1 7 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 8 ASN 0.437 0.079 5 0 "[ . 1 . 2 .]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 10 VAL 0.434 0.053 3 0 "[ . 1 . 2 .]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 18 LYS 0.058 0.020 2 0 "[ . 1 . 2 .]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 22 THR 0.327 0.038 22 0 "[ . 1 . 2 .]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 26 ASP 0.269 0.038 22 0 "[ . 1 . 2 .]"
1 28 VAL 0.208 0.073 20 0 "[ . 1 . 2 .]"
1 29 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 32 ILE 0.467 0.073 20 0 "[ . 1 . 2 .]"
1 33 THR 0.001 0.001 5 0 "[ . 1 . 2 .]"
1 35 ALA 0.050 0.017 1 0 "[ . 1 . 2 .]"
1 36 LEU 0.260 0.069 15 0 "[ . 1 . 2 .]"
1 37 ARG 0.001 0.001 5 0 "[ . 1 . 2 .]"
1 38 LYS 0.017 0.017 1 0 "[ . 1 . 2 .]"
1 40 ASP 0.033 0.015 6 0 "[ . 1 . 2 .]"
1 42 VAL 0.150 0.065 25 0 "[ . 1 . 2 .]"
1 44 LEU 0.281 0.068 9 0 "[ . 1 . 2 .]"
1 48 GLY 0.281 0.068 9 0 "[ . 1 . 2 .]"
1 49 ASN 2.124 0.419 20 0 "[ . 1 . 2 .]"
1 50 PHE 0.150 0.065 25 0 "[ . 1 . 2 .]"
1 51 GLU 0.854 0.081 13 0 "[ . 1 . 2 .]"
1 78 ALA 0.854 0.081 13 0 "[ . 1 . 2 .]"
1 80 LYS 2.124 0.419 20 0 "[ . 1 . 2 .]"
1 81 PRO 0.159 0.103 9 0 "[ . 1 . 2 .]"
1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 84 ALA 0.222 0.086 4 0 "[ . 1 . 2 .]"
1 85 LEU 0.173 0.103 9 0 "[ . 1 . 2 .]"
1 88 ALA 0.222 0.086 4 0 "[ . 1 . 2 .]"
1 89 VAL 0.014 0.014 4 0 "[ . 1 . 2 .]"
2 4 THR 0.305 0.113 2 0 "[ . 1 . 2 .]"
2 6 LEU 0.436 0.052 12 0 "[ . 1 . 2 .]"
2 7 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 8 ASN 0.305 0.113 2 0 "[ . 1 . 2 .]"
2 9 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 10 VAL 0.436 0.052 12 0 "[ . 1 . 2 .]"
2 11 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 13 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 17 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 18 LYS 0.052 0.022 20 0 "[ . 1 . 2 .]"
2 20 ASP 0.000 0.000 5 0 "[ . 1 . 2 .]"
2 21 ALA 0.001 0.001 21 0 "[ . 1 . 2 .]"
2 22 THR 0.326 0.063 15 0 "[ . 1 . 2 .]"
2 24 ALA 0.000 0.000 5 0 "[ . 1 . 2 .]"
2 25 VAL 0.001 0.001 21 0 "[ . 1 . 2 .]"
2 26 ASP 0.274 0.063 15 0 "[ . 1 . 2 .]"
2 28 VAL 0.065 0.022 17 0 "[ . 1 . 2 .]"
2 29 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 32 ILE 0.120 0.037 5 0 "[ . 1 . 2 .]"
2 33 THR 0.007 0.007 9 0 "[ . 1 . 2 .]"
2 35 ALA 0.090 0.077 7 0 "[ . 1 . 2 .]"
2 36 LEU 0.055 0.037 5 0 "[ . 1 . 2 .]"
2 37 ARG 0.007 0.007 9 0 "[ . 1 . 2 .]"
2 38 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 40 ASP 0.090 0.077 7 0 "[ . 1 . 2 .]"
2 42 VAL 0.343 0.183 7 0 "[ . 1 . 2 .]"
2 44 LEU 0.214 0.074 4 0 "[ . 1 . 2 .]"
2 48 GLY 0.214 0.074 4 0 "[ . 1 . 2 .]"
2 49 ASN 1.582 0.414 6 0 "[ . 1 . 2 .]"
2 50 PHE 0.343 0.183 7 0 "[ . 1 . 2 .]"
2 51 GLU 0.731 0.067 24 0 "[ . 1 . 2 .]"
2 78 ALA 0.731 0.067 24 0 "[ . 1 . 2 .]"
2 80 LYS 1.582 0.414 6 0 "[ . 1 . 2 .]"
2 81 PRO 0.353 0.317 4 0 "[ . 1 . 2 .]"
2 82 GLY 0.184 0.184 4 0 "[ . 1 . 2 .]"
2 84 ALA 0.343 0.184 4 0 "[ . 1 . 2 .]"
2 85 LEU 0.353 0.317 4 0 "[ . 1 . 2 .]"
2 88 ALA 0.159 0.103 4 0 "[ . 1 . 2 .]"
2 89 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 THR O 1 8 ASN H 2.310 . 2.310 2.305 2.195 2.389 0.079 5 0 "[ . 1 . 2 .]" 2
2 2 4 THR O 2 8 ASN H 2.310 . 2.310 2.275 2.179 2.423 0.113 2 0 "[ . 1 . 2 .]" 2
3 1 6 LEU O 1 10 VAL H 2.310 . 2.310 2.320 2.256 2.363 0.053 3 0 "[ . 1 . 2 .]" 2
4 2 6 LEU O 2 10 VAL H 2.310 . 2.310 2.302 2.139 2.362 0.052 12 0 "[ . 1 . 2 .]" 2
5 1 7 ILE O 1 11 ALA H 2.310 . 2.310 2.153 2.117 2.203 . 0 0 "[ . 1 . 2 .]" 2
6 2 7 ILE O 2 11 ALA H 2.310 . 2.310 2.157 2.097 2.277 . 0 0 "[ . 1 . 2 .]" 2
7 1 9 ALA O 1 13 THR H 2.310 . 2.310 1.930 1.914 1.957 . 0 0 "[ . 1 . 2 .]" 2
8 2 9 ALA O 2 13 THR H 2.310 . 2.310 1.927 1.894 1.959 . 0 0 "[ . 1 . 2 .]" 2
9 1 17 SER O 1 21 ALA H 2.310 . 2.310 1.949 1.831 2.012 . 0 0 "[ . 1 . 2 .]" 2
10 2 17 SER O 2 21 ALA H 2.310 . 2.310 1.950 1.890 2.038 . 0 0 "[ . 1 . 2 .]" 2
11 1 18 LYS O 1 22 THR H 2.310 . 2.310 2.137 2.031 2.330 0.020 2 0 "[ . 1 . 2 .]" 2
12 2 18 LYS O 2 22 THR H 2.310 . 2.310 2.133 2.005 2.332 0.022 20 0 "[ . 1 . 2 .]" 2
13 1 20 ASP O 1 24 ALA H 2.310 . 2.310 2.136 2.061 2.272 . 0 0 "[ . 1 . 2 .]" 2
14 2 20 ASP O 2 24 ALA H 2.310 . 2.310 2.139 2.091 2.310 0.000 5 0 "[ . 1 . 2 .]" 2
15 1 21 ALA O 1 25 VAL H 2.310 . 2.310 2.221 2.112 2.272 . 0 0 "[ . 1 . 2 .]" 2
16 2 21 ALA O 2 25 VAL H 2.310 . 2.310 2.216 2.113 2.311 0.001 21 0 "[ . 1 . 2 .]" 2
17 1 22 THR O 1 26 ASP H 2.310 . 2.310 2.270 1.970 2.348 0.038 22 0 "[ . 1 . 2 .]" 2
18 2 22 THR O 2 26 ASP H 2.310 . 2.310 2.272 1.956 2.373 0.063 15 0 "[ . 1 . 2 .]" 2
19 1 25 VAL O 1 29 PHE H 2.310 . 2.310 2.059 1.992 2.124 . 0 0 "[ . 1 . 2 .]" 2
20 2 25 VAL O 2 29 PHE H 2.310 . 2.310 2.074 1.992 2.293 . 0 0 "[ . 1 . 2 .]" 2
21 1 28 VAL O 1 32 ILE H 2.310 . 2.310 2.240 2.024 2.383 0.073 20 0 "[ . 1 . 2 .]" 2
22 2 28 VAL O 2 32 ILE H 2.310 . 2.310 2.209 1.925 2.332 0.022 17 0 "[ . 1 . 2 .]" 2
23 1 32 ILE O 1 36 LEU H 2.310 . 2.310 1.810 1.731 1.883 0.069 15 0 "[ . 1 . 2 .]" 2
24 2 32 ILE O 2 36 LEU H 2.310 . 2.310 1.858 1.763 1.976 0.037 5 0 "[ . 1 . 2 .]" 2
25 1 33 THR O 1 37 ARG H 2.310 . 2.310 2.008 1.870 2.311 0.001 5 0 "[ . 1 . 2 .]" 2
26 2 33 THR O 2 37 ARG H 2.310 . 2.310 1.994 1.885 2.317 0.007 9 0 "[ . 1 . 2 .]" 2
27 1 35 ALA O 1 38 LYS H 2.500 . 2.500 2.363 2.267 2.517 0.017 1 0 "[ . 1 . 2 .]" 2
28 2 35 ALA O 2 38 LYS H 2.500 . 2.500 2.347 2.274 2.417 . 0 0 "[ . 1 . 2 .]" 2
29 1 35 ALA O 1 40 ASP H 2.310 . 2.310 1.892 1.785 2.315 0.015 6 0 "[ . 1 . 2 .]" 2
30 2 35 ALA O 2 40 ASP H 2.310 . 2.310 1.906 1.788 2.387 0.077 7 0 "[ . 1 . 2 .]" 2
31 1 42 VAL H 1 50 PHE O 2.310 . 2.310 2.222 1.981 2.375 0.065 25 0 "[ . 1 . 2 .]" 2
32 2 42 VAL H 2 50 PHE O 2.310 . 2.310 2.215 1.937 2.493 0.183 7 0 "[ . 1 . 2 .]" 2
33 1 44 LEU H 1 48 GLY O 2.310 . 2.310 2.185 1.995 2.354 0.044 24 0 "[ . 1 . 2 .]" 2
34 2 44 LEU H 2 48 GLY O 2.310 . 2.310 2.192 1.965 2.357 0.047 22 0 "[ . 1 . 2 .]" 2
35 1 44 LEU O 1 48 GLY H 2.500 . 2.500 2.125 1.918 2.568 0.068 9 0 "[ . 1 . 2 .]" 2
36 2 44 LEU O 2 48 GLY H 2.500 . 2.500 2.164 1.888 2.574 0.074 4 0 "[ . 1 . 2 .]" 2
37 1 49 ASN H 1 80 LYS O 2.500 . 2.500 2.478 2.171 2.919 0.419 20 0 "[ . 1 . 2 .]" 2
38 2 49 ASN H 2 80 LYS O 2.500 . 2.500 2.433 2.108 2.914 0.414 6 0 "[ . 1 . 2 .]" 2
39 1 51 GLU H 1 78 ALA O 2.310 . 2.310 2.344 2.298 2.391 0.081 13 0 "[ . 1 . 2 .]" 2
40 2 51 GLU H 2 78 ALA O 2.310 . 2.310 2.328 2.023 2.377 0.067 24 0 "[ . 1 . 2 .]" 2
41 1 49 ASN O 1 80 LYS H 2.310 . 2.310 2.356 2.313 2.553 0.243 20 0 "[ . 1 . 2 .]" 2
42 2 49 ASN O 2 80 LYS H 2.310 . 2.310 2.345 2.311 2.558 0.248 6 0 "[ . 1 . 2 .]" 2
43 1 82 GLY O 1 84 ALA H 2.310 . 2.310 1.924 1.898 1.969 . 0 0 "[ . 1 . 2 .]" 2
44 2 82 GLY O 2 84 ALA H 2.310 . 2.310 1.943 1.894 2.494 0.184 4 0 "[ . 1 . 2 .]" 2
45 1 81 PRO O 1 85 LEU H 2.310 . 2.310 2.129 1.984 2.413 0.103 9 0 "[ . 1 . 2 .]" 2
46 2 81 PRO O 2 85 LEU H 2.310 . 2.310 2.126 1.996 2.627 0.317 4 0 "[ . 1 . 2 .]" 2
47 1 84 ALA O 1 88 ALA H 2.310 . 2.310 2.283 2.199 2.396 0.086 4 0 "[ . 1 . 2 .]" 2
48 2 84 ALA O 2 88 ALA H 2.310 . 2.310 2.274 2.150 2.413 0.103 4 0 "[ . 1 . 2 .]" 2
49 1 85 LEU O 1 89 VAL H 2.310 . 2.310 2.103 1.950 2.324 0.014 4 0 "[ . 1 . 2 .]" 2
50 2 85 LEU O 2 89 VAL H 2.310 . 2.310 2.075 1.910 2.139 . 0 0 "[ . 1 . 2 .]" 2
stop_
save_
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