NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
372208 |
1d2b   |
4327 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1d2b
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 1630
_Distance_constraint_stats_list.Viol_count 5994
_Distance_constraint_stats_list.Viol_total 16611.355
_Distance_constraint_stats_list.Viol_max 0.528
_Distance_constraint_stats_list.Viol_rms 0.0435
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0121
_Distance_constraint_stats_list.Viol_average_violations_only 0.0956
_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 CYS 3.524 0.229 4 0 "[ . 1 . 2 . ]"
1 2 THR 4.486 0.229 4 0 "[ . 1 . 2 . ]"
1 3 CYS 6.724 0.282 3 0 "[ . 1 . 2 . ]"
1 4 VAL 4.770 0.203 21 0 "[ . 1 . 2 . ]"
1 5 PRO 3.585 0.203 21 0 "[ . 1 . 2 . ]"
1 6 PRO 8.722 0.279 19 0 "[ . 1 . 2 . ]"
1 7 HIS 2.589 0.133 14 0 "[ . 1 . 2 . ]"
1 8 PRO 20.704 0.290 20 0 "[ . 1 . 2 . ]"
1 9 GLN 2.272 0.148 23 0 "[ . 1 . 2 . ]"
1 10 THR 7.529 0.228 24 0 "[ . 1 . 2 . ]"
1 11 ALA 16.904 0.277 19 0 "[ . 1 . 2 . ]"
1 12 PHE 7.760 0.215 19 0 "[ . 1 . 2 . ]"
1 13 CYS 2.981 0.346 19 0 "[ . 1 . 2 . ]"
1 14 ASN 2.858 0.346 19 0 "[ . 1 . 2 . ]"
1 15 SER 26.890 0.432 19 0 "[ . 1 . 2 . ]"
1 16 ASP 33.562 0.497 15 0 "[ . 1 . 2 . ]"
1 17 LEU 5.610 0.247 23 0 "[ . 1 . 2 . ]"
1 18 VAL 7.128 0.189 23 0 "[ . 1 . 2 . ]"
1 19 ILE 4.205 0.155 2 0 "[ . 1 . 2 . ]"
1 20 ARG 9.314 0.336 14 0 "[ . 1 . 2 . ]"
1 21 ALA 0.682 0.120 21 0 "[ . 1 . 2 . ]"
1 22 LYS 15.451 0.257 9 0 "[ . 1 . 2 . ]"
1 23 PHE 13.486 0.427 12 0 "[ . 1 . 2 . ]"
1 24 VAL 18.787 0.427 12 0 "[ . 1 . 2 . ]"
1 25 GLY 8.244 0.280 26 0 "[ . 1 . 2 . ]"
1 26 THR 2.749 0.126 9 0 "[ . 1 . 2 . ]"
1 27 PRO 1.433 0.209 25 0 "[ . 1 . 2 . ]"
1 28 GLU 3.116 0.329 11 0 "[ . 1 . 2 . ]"
1 29 VAL 7.177 0.467 3 0 "[ . 1 . 2 . ]"
1 30 ASN 8.037 0.329 11 0 "[ . 1 . 2 . ]"
1 31 GLN 16.612 0.352 24 0 "[ . 1 . 2 . ]"
1 32 THR 8.393 0.281 11 0 "[ . 1 . 2 . ]"
1 33 THR 14.439 0.528 11 1 "[ . 1+ . 2 . ]"
1 34 LEU 23.954 0.528 11 1 "[ . 1+ . 2 . ]"
1 35 TYR 30.633 0.332 16 0 "[ . 1 . 2 . ]"
1 36 GLN 13.960 0.330 7 0 "[ . 1 . 2 . ]"
1 37 ARG 1.456 0.105 14 0 "[ . 1 . 2 . ]"
1 38 TYR 12.671 0.247 12 0 "[ . 1 . 2 . ]"
1 39 GLU 2.739 0.171 24 0 "[ . 1 . 2 . ]"
1 40 ILE 11.558 0.280 26 0 "[ . 1 . 2 . ]"
1 41 LYS 11.669 0.291 4 0 "[ . 1 . 2 . ]"
1 42 MET 1.041 0.132 20 0 "[ . 1 . 2 . ]"
1 43 THR 3.720 0.208 24 0 "[ . 1 . 2 . ]"
1 44 LYS 2.062 0.155 2 0 "[ . 1 . 2 . ]"
1 45 MET 1.887 0.157 6 0 "[ . 1 . 2 . ]"
1 46 TYR 11.711 0.336 14 0 "[ . 1 . 2 . ]"
1 47 LYS 2.999 0.247 23 0 "[ . 1 . 2 . ]"
1 48 GLY 6.678 0.243 3 0 "[ . 1 . 2 . ]"
1 49 PHE 6.110 0.347 24 0 "[ . 1 . 2 . ]"
1 50 GLN 0.901 0.107 26 0 "[ . 1 . 2 . ]"
1 51 ALA 6.140 0.321 19 0 "[ . 1 . 2 . ]"
1 52 LEU 9.301 0.412 13 0 "[ . 1 . 2 . ]"
1 53 GLY 14.413 0.412 13 0 "[ . 1 . 2 . ]"
1 54 ASP 6.176 0.264 23 0 "[ . 1 . 2 . ]"
1 55 ALA 7.686 0.324 24 0 "[ . 1 . 2 . ]"
1 56 ALA 13.294 0.418 25 0 "[ . 1 . 2 . ]"
1 57 ASP 4.488 0.368 14 0 "[ . 1 . 2 . ]"
1 58 ILE 8.885 0.418 25 0 "[ . 1 . 2 . ]"
1 59 ARG 6.716 0.292 6 0 "[ . 1 . 2 . ]"
1 60 PHE 20.980 0.348 2 0 "[ . 1 . 2 . ]"
1 61 VAL 22.991 0.348 2 0 "[ . 1 . 2 . ]"
1 62 TYR 13.956 0.264 2 0 "[ . 1 . 2 . ]"
1 63 THR 18.757 0.335 24 0 "[ . 1 . 2 . ]"
1 64 PRO 11.916 0.318 24 0 "[ . 1 . 2 . ]"
1 65 ALA 24.679 0.332 16 0 "[ . 1 . 2 . ]"
1 66 MET 1.110 0.116 27 0 "[ . 1 . 2 . ]"
1 69 VAL 6.763 0.292 7 0 "[ . 1 . 2 . ]"
1 70 CYS 9.537 0.351 2 0 "[ . 1 . 2 . ]"
1 71 GLY 9.351 0.335 24 0 "[ . 1 . 2 . ]"
1 72 TYR 15.407 0.351 2 0 "[ . 1 . 2 . ]"
1 73 PHE 2.652 0.205 10 0 "[ . 1 . 2 . ]"
1 74 HIS 8.264 0.306 5 0 "[ . 1 . 2 . ]"
1 75 ARG 2.182 0.145 10 0 "[ . 1 . 2 . ]"
1 76 SER 3.293 0.127 8 0 "[ . 1 . 2 . ]"
1 77 HIS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 78 ASN 1.451 0.416 6 0 "[ . 1 . 2 . ]"
1 79 ARG 0.043 0.043 6 0 "[ . 1 . 2 . ]"
1 80 SER 3.421 0.416 6 0 "[ . 1 . 2 . ]"
1 81 GLU 1.206 0.215 9 0 "[ . 1 . 2 . ]"
1 82 GLU 4.780 0.252 18 0 "[ . 1 . 2 . ]"
1 83 PHE 2.609 0.127 8 0 "[ . 1 . 2 . ]"
1 84 LEU 4.487 0.206 10 0 "[ . 1 . 2 . ]"
1 85 ILE 7.672 0.197 8 0 "[ . 1 . 2 . ]"
1 86 ALA 1.127 0.152 21 0 "[ . 1 . 2 . ]"
1 87 GLY 0.386 0.080 2 0 "[ . 1 . 2 . ]"
1 88 LYS 13.506 0.497 15 0 "[ . 1 . 2 . ]"
1 89 LEU 3.651 0.299 18 0 "[ . 1 . 2 . ]"
1 90 GLN 2.561 0.229 7 0 "[ . 1 . 2 . ]"
1 91 ASP 0.051 0.038 9 0 "[ . 1 . 2 . ]"
1 92 GLY 0.511 0.098 3 0 "[ . 1 . 2 . ]"
1 93 LEU 3.500 0.229 7 0 "[ . 1 . 2 . ]"
1 94 LEU 4.475 0.188 19 0 "[ . 1 . 2 . ]"
1 95 HIS 4.908 0.201 2 0 "[ . 1 . 2 . ]"
1 96 ILE 3.449 0.149 29 0 "[ . 1 . 2 . ]"
1 97 THR 3.984 0.155 11 0 "[ . 1 . 2 . ]"
1 98 THR 3.481 0.265 26 0 "[ . 1 . 2 . ]"
1 99 CYS 7.237 0.366 26 0 "[ . 1 . 2 . ]"
1 100 SER 1.968 0.366 26 0 "[ . 1 . 2 . ]"
1 101 PHE 6.322 0.251 4 0 "[ . 1 . 2 . ]"
1 102 VAL 0.622 0.075 29 0 "[ . 1 . 2 . ]"
1 103 ALA 3.386 0.179 18 0 "[ . 1 . 2 . ]"
1 104 PRO 13.261 0.289 18 0 "[ . 1 . 2 . ]"
1 105 TRP 21.451 0.306 29 0 "[ . 1 . 2 . ]"
1 106 ASN 25.881 0.306 29 0 "[ . 1 . 2 . ]"
1 107 SER 8.741 0.322 19 0 "[ . 1 . 2 . ]"
1 108 LEU 15.775 0.322 19 0 "[ . 1 . 2 . ]"
1 109 SER 18.622 0.491 2 0 "[ . 1 . 2 . ]"
1 110 LEU 33.398 0.491 2 0 "[ . 1 . 2 . ]"
1 111 ALA 29.303 0.335 24 0 "[ . 1 . 2 . ]"
1 112 GLN 9.336 0.300 8 0 "[ . 1 . 2 . ]"
1 113 ARG 25.609 0.308 19 0 "[ . 1 . 2 . ]"
1 114 ARG 19.165 0.425 11 0 "[ . 1 . 2 . ]"
1 115 GLY 6.512 0.355 13 0 "[ . 1 . 2 . ]"
1 116 PHE 20.082 0.465 11 0 "[ . 1 . 2 . ]"
1 117 THR 7.226 0.280 10 0 "[ . 1 . 2 . ]"
1 118 LYS 10.520 0.355 13 0 "[ . 1 . 2 . ]"
1 119 THR 30.319 0.465 11 0 "[ . 1 . 2 . ]"
1 120 TYR 13.212 0.429 2 0 "[ . 1 . 2 . ]"
1 121 THR 6.908 0.310 10 0 "[ . 1 . 2 . ]"
1 122 VAL 4.124 0.131 3 0 "[ . 1 . 2 . ]"
1 123 GLY 0.978 0.160 19 0 "[ . 1 . 2 . ]"
1 124 CYS 13.188 0.310 10 0 "[ . 1 . 2 . ]"
1 125 GLU 14.920 0.309 9 0 "[ . 1 . 2 . ]"
1 126 GLU 10.879 0.290 20 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 CYS HA 1 2 THR MG 4.000 . 5.000 4.781 3.922 5.016 0.016 24 0 "[ . 1 . 2 . ]" 1
2 1 1 CYS HB3 1 2 THR HA 4.000 . 5.000 4.404 3.644 5.125 0.125 17 0 "[ . 1 . 2 . ]" 1
3 1 1 CYS HB2 1 2 THR HA 4.000 . 5.000 4.951 4.181 5.229 0.229 4 0 "[ . 1 . 2 . ]" 1
4 1 1 CYS QB 1 70 CYS HA 4.000 . 5.000 2.903 1.782 4.849 0.018 10 0 "[ . 1 . 2 . ]" 1
5 1 1 CYS HB3 1 70 CYS H 4.000 . 5.000 3.670 2.132 5.076 0.076 5 0 "[ . 1 . 2 . ]" 1
6 1 1 CYS HB2 1 70 CYS H 4.000 . 5.000 3.752 2.573 5.033 0.033 16 0 "[ . 1 . 2 . ]" 1
7 1 2 THR HA 1 3 CYS H 2.200 . 2.700 2.295 2.099 2.868 0.168 18 0 "[ . 1 . 2 . ]" 1
8 1 2 THR HB 1 3 CYS H 4.000 . 5.000 4.244 3.606 4.635 . 0 0 "[ . 1 . 2 . ]" 1
9 1 2 THR MG 1 3 CYS H 4.000 . 5.000 4.254 4.110 4.378 . 0 0 "[ . 1 . 2 . ]" 1
10 1 2 THR HA 1 70 CYS QB 4.000 . 5.000 4.270 3.240 5.083 0.083 16 0 "[ . 1 . 2 . ]" 1
11 1 2 THR HA 1 99 CYS HB2 4.000 . 5.000 4.482 3.460 5.179 0.179 26 0 "[ . 1 . 2 . ]" 1
12 1 3 CYS HA 1 4 VAL H 2.200 . 2.700 2.646 2.420 2.765 0.065 27 0 "[ . 1 . 2 . ]" 1
13 1 3 CYS HB3 1 4 VAL H 4.000 . 5.000 3.217 1.953 3.755 . 0 0 "[ . 1 . 2 . ]" 1
14 1 3 CYS HB2 1 4 VAL H 4.000 . 5.000 2.486 1.951 3.173 . 0 0 "[ . 1 . 2 . ]" 1
15 1 3 CYS HB2 1 4 VAL HA 4.000 . 5.000 4.787 4.305 5.145 0.145 19 0 "[ . 1 . 2 . ]" 1
16 1 3 CYS HB3 1 99 CYS HA 4.000 . 5.000 4.253 3.097 5.081 0.081 26 0 "[ . 1 . 2 . ]" 1
17 1 3 CYS HB3 1 99 CYS HB3 4.000 . 5.000 4.336 3.629 5.176 0.176 24 0 "[ . 1 . 2 . ]" 1
18 1 3 CYS HB2 1 99 CYS HB3 4.000 . 5.000 4.725 3.012 5.282 0.282 3 0 "[ . 1 . 2 . ]" 1
19 1 3 CYS H 1 99 CYS HB3 4.000 . 5.000 4.141 2.521 5.056 0.056 13 0 "[ . 1 . 2 . ]" 1
20 1 3 CYS H 1 99 CYS HB2 4.000 . 5.000 3.166 1.774 4.629 0.026 4 0 "[ . 1 . 2 . ]" 1
21 1 4 VAL HA 1 5 PRO HD3 2.200 . 2.700 2.246 2.041 2.441 . 0 0 "[ . 1 . 2 . ]" 1
22 1 4 VAL HA 1 5 PRO HD2 2.200 . 2.700 2.721 2.638 2.776 0.076 21 0 "[ . 1 . 2 . ]" 1
23 1 4 VAL HB 1 5 PRO HD3 3.000 . 4.000 3.283 2.976 4.203 0.203 21 0 "[ . 1 . 2 . ]" 1
24 1 4 VAL HB 1 5 PRO HD2 3.000 . 4.000 2.289 1.724 3.942 0.076 16 0 "[ . 1 . 2 . ]" 1
25 1 4 VAL MG1 1 5 PRO HD3 4.000 . 5.000 4.101 3.915 4.610 . 0 0 "[ . 1 . 2 . ]" 1
26 1 4 VAL MG1 1 5 PRO HD2 4.000 . 5.000 3.590 3.384 4.028 . 0 0 "[ . 1 . 2 . ]" 1
27 1 4 VAL MG2 1 5 PRO HD3 3.000 . 4.000 3.731 2.388 4.055 0.055 23 0 "[ . 1 . 2 . ]" 1
28 1 4 VAL MG2 1 5 PRO HD2 3.000 . 4.000 2.699 1.658 3.069 0.142 21 0 "[ . 1 . 2 . ]" 1
29 1 4 VAL MG2 1 5 PRO HB3 4.000 . 5.000 4.862 4.314 5.037 0.037 27 0 "[ . 1 . 2 . ]" 1
30 1 4 VAL MG2 1 5 PRO HB2 4.000 . 5.000 3.630 3.063 3.865 . 0 0 "[ . 1 . 2 . ]" 1
31 1 4 VAL MG2 1 5 PRO QG 4.000 . 5.000 4.018 3.275 4.335 . 0 0 "[ . 1 . 2 . ]" 1
32 1 5 PRO HA 1 6 PRO HD3 2.200 . 2.700 1.979 1.792 2.402 0.008 11 0 "[ . 1 . 2 . ]" 1
33 1 5 PRO HA 1 6 PRO HD2 2.200 . 2.700 2.560 2.145 2.711 0.011 11 0 "[ . 1 . 2 . ]" 1
34 1 5 PRO HB3 1 6 PRO HD3 4.000 . 5.000 4.164 3.908 4.593 . 0 0 "[ . 1 . 2 . ]" 1
35 1 5 PRO HB3 1 6 PRO HD2 4.000 . 5.000 3.979 3.744 4.154 . 0 0 "[ . 1 . 2 . ]" 1
36 1 5 PRO HB2 1 6 PRO HD3 4.000 . 5.000 4.687 4.559 4.969 . 0 0 "[ . 1 . 2 . ]" 1
37 1 5 PRO HB2 1 6 PRO HD2 4.000 . 5.000 4.834 4.584 5.015 0.015 16 0 "[ . 1 . 2 . ]" 1
38 1 5 PRO QG 1 6 PRO HD3 4.000 . 5.000 4.494 4.230 4.958 . 0 0 "[ . 1 . 2 . ]" 1
39 1 5 PRO QG 1 6 PRO HD2 4.000 . 5.000 4.940 4.560 5.039 0.039 15 0 "[ . 1 . 2 . ]" 1
40 1 6 PRO HA 1 7 HIS H 3.000 . 4.000 2.161 2.066 2.298 . 0 0 "[ . 1 . 2 . ]" 1
41 1 6 PRO HA 1 7 HIS QB 4.000 . 5.000 4.466 4.095 4.810 . 0 0 "[ . 1 . 2 . ]" 1
42 1 6 PRO HB3 1 7 HIS H 3.000 . 4.000 3.840 3.346 4.114 0.114 2 0 "[ . 1 . 2 . ]" 1
43 1 6 PRO HB2 1 7 HIS H 3.000 . 4.000 3.459 3.212 3.740 . 0 0 "[ . 1 . 2 . ]" 1
44 1 6 PRO QB 1 7 HIS HA 4.000 . 5.000 4.854 4.689 4.941 . 0 0 "[ . 1 . 2 . ]" 1
45 1 6 PRO QB 1 7 HIS QB 4.000 . 5.000 4.306 3.879 4.912 . 0 0 "[ . 1 . 2 . ]" 1
46 1 6 PRO QG 1 7 HIS H 4.000 . 5.000 4.743 4.486 4.954 . 0 0 "[ . 1 . 2 . ]" 1
47 1 6 PRO QD 1 7 HIS H 4.000 . 5.000 4.815 4.706 4.945 . 0 0 "[ . 1 . 2 . ]" 1
48 1 6 PRO HA 1 8 PRO HD3 5.000 . 6.000 5.735 5.284 6.031 0.031 19 0 "[ . 1 . 2 . ]" 1
49 1 6 PRO HA 1 8 PRO HD2 5.000 . 6.000 6.145 6.041 6.279 0.279 19 0 "[ . 1 . 2 . ]" 1
50 1 6 PRO HA 1 10 THR MG 4.000 . 5.000 5.113 5.039 5.228 0.228 24 0 "[ . 1 . 2 . ]" 1
51 1 6 PRO QB 1 10 THR HB 4.000 . 5.000 4.322 3.753 4.818 . 0 0 "[ . 1 . 2 . ]" 1
52 1 6 PRO HB3 1 10 THR MG 4.000 . 5.000 4.377 3.905 4.915 . 0 0 "[ . 1 . 2 . ]" 1
53 1 6 PRO HB2 1 10 THR MG 4.000 . 5.000 3.212 2.804 3.556 . 0 0 "[ . 1 . 2 . ]" 1
54 1 6 PRO QB 1 11 ALA HA 4.000 . 5.000 4.817 4.464 5.067 0.067 19 0 "[ . 1 . 2 . ]" 1
55 1 6 PRO QG 1 11 ALA HA 4.000 . 5.000 4.672 4.096 5.023 0.023 11 0 "[ . 1 . 2 . ]" 1
56 1 6 PRO QG 1 11 ALA MB 4.000 . 5.000 3.310 2.638 3.878 . 0 0 "[ . 1 . 2 . ]" 1
57 1 6 PRO QD 1 10 THR MG 5.000 . 6.000 5.533 4.758 5.971 . 0 0 "[ . 1 . 2 . ]" 1
58 1 6 PRO QB 1 101 PHE H 4.000 . 5.000 4.805 4.418 5.027 0.027 16 0 "[ . 1 . 2 . ]" 1
59 1 6 PRO QG 1 101 PHE HA 4.000 . 5.000 3.941 3.232 4.694 . 0 0 "[ . 1 . 2 . ]" 1
60 1 6 PRO QG 1 101 PHE QB 4.000 . 5.000 3.718 2.882 4.585 . 0 0 "[ . 1 . 2 . ]" 1
61 1 6 PRO QD 1 101 PHE QB 4.000 . 5.000 3.236 2.782 3.818 . 0 0 "[ . 1 . 2 . ]" 1
62 1 6 PRO QD 1 101 PHE HA 4.000 . 5.000 2.628 2.059 3.120 . 0 0 "[ . 1 . 2 . ]" 1
63 1 6 PRO QD 1 99 CYS HA 4.000 . 5.000 3.539 3.168 4.149 . 0 0 "[ . 1 . 2 . ]" 1
64 1 6 PRO QD 1 99 CYS QB 4.000 . 5.000 4.885 4.319 5.071 0.071 12 0 "[ . 1 . 2 . ]" 1
65 1 7 HIS H 1 8 PRO QD 4.000 . 5.000 4.046 3.849 4.155 . 0 0 "[ . 1 . 2 . ]" 1
66 1 7 HIS HA 1 8 PRO QB 4.000 . 5.000 4.497 4.414 4.595 . 0 0 "[ . 1 . 2 . ]" 1
67 1 7 HIS HA 1 8 PRO HG3 4.000 . 5.000 4.318 4.260 4.395 . 0 0 "[ . 1 . 2 . ]" 1
68 1 7 HIS HA 1 8 PRO HG2 4.000 . 5.000 4.121 4.010 4.227 . 0 0 "[ . 1 . 2 . ]" 1
69 1 7 HIS HA 1 8 PRO HD3 3.000 . 4.000 2.381 2.219 2.509 . 0 0 "[ . 1 . 2 . ]" 1
70 1 7 HIS HA 1 8 PRO HD2 3.000 . 4.000 1.927 1.827 2.064 . 0 0 "[ . 1 . 2 . ]" 1
71 1 7 HIS QB 1 8 PRO HA 4.000 . 5.000 4.670 4.594 4.778 . 0 0 "[ . 1 . 2 . ]" 1
72 1 7 HIS QB 1 8 PRO QD 4.000 . 5.000 2.838 2.592 3.069 . 0 0 "[ . 1 . 2 . ]" 1
73 1 7 HIS H 1 10 THR HB 4.000 . 5.000 4.512 4.116 4.916 . 0 0 "[ . 1 . 2 . ]" 1
74 1 7 HIS H 1 10 THR MG 4.000 . 5.000 4.636 3.983 4.938 . 0 0 "[ . 1 . 2 . ]" 1
75 1 7 HIS H 1 11 ALA MB 4.000 . 5.000 5.000 4.879 5.097 0.097 25 0 "[ . 1 . 2 . ]" 1
76 1 7 HIS HA 1 10 THR H 5.000 . 6.000 4.547 4.196 5.344 . 0 0 "[ . 1 . 2 . ]" 1
77 1 7 HIS QB 1 9 GLN H 4.000 . 5.000 2.565 2.232 3.489 . 0 0 "[ . 1 . 2 . ]" 1
78 1 7 HIS QB 1 10 THR H 4.000 . 5.000 2.659 2.333 3.050 . 0 0 "[ . 1 . 2 . ]" 1
79 1 7 HIS QB 1 10 THR HB 4.000 . 5.000 2.559 1.725 3.602 0.075 25 0 "[ . 1 . 2 . ]" 1
80 1 7 HIS QB 1 10 THR MG 4.000 . 5.000 3.708 2.448 4.693 . 0 0 "[ . 1 . 2 . ]" 1
81 1 7 HIS HA 1 126 GLU H 5.000 . 6.000 5.874 4.811 6.133 0.133 14 0 "[ . 1 . 2 . ]" 1
82 1 7 HIS QB 1 126 GLU H 5.000 . 6.000 4.478 2.947 4.931 . 0 0 "[ . 1 . 2 . ]" 1
83 1 8 PRO HA 1 9 GLN H 3.000 . 4.000 3.443 3.308 3.591 . 0 0 "[ . 1 . 2 . ]" 1
84 1 8 PRO QB 1 9 GLN H 3.000 . 4.000 3.459 2.932 3.627 . 0 0 "[ . 1 . 2 . ]" 1
85 1 8 PRO QG 1 9 GLN H 4.000 . 5.000 2.505 2.158 2.757 . 0 0 "[ . 1 . 2 . ]" 1
86 1 8 PRO QD 1 9 GLN H 4.000 . 5.000 2.666 2.475 2.858 . 0 0 "[ . 1 . 2 . ]" 1
87 1 8 PRO HA 1 10 THR HA 5.000 . 6.000 6.016 5.886 6.163 0.163 19 0 "[ . 1 . 2 . ]" 1
88 1 8 PRO HA 1 11 ALA H 4.000 . 5.000 2.859 2.656 3.069 . 0 0 "[ . 1 . 2 . ]" 1
89 1 8 PRO QB 1 11 ALA H 4.000 . 5.000 4.558 4.349 4.725 . 0 0 "[ . 1 . 2 . ]" 1
90 1 8 PRO QB 1 11 ALA HA 5.000 . 6.000 6.002 5.806 6.142 0.142 19 0 "[ . 1 . 2 . ]" 1
91 1 8 PRO QG 1 10 THR H 4.000 . 5.000 4.738 4.283 5.031 0.031 5 0 "[ . 1 . 2 . ]" 1
92 1 8 PRO QG 1 11 ALA H 4.000 . 5.000 5.178 5.017 5.277 0.277 19 0 "[ . 1 . 2 . ]" 1
93 1 8 PRO HA 1 101 PHE QD 4.000 . 5.000 2.740 2.347 3.106 . 0 0 "[ . 1 . 2 . ]" 1
94 1 8 PRO HA 1 116 PHE HZ 4.000 . 5.000 3.846 3.201 4.448 . 0 0 "[ . 1 . 2 . ]" 1
95 1 8 PRO QG 1 116 PHE QE 5.000 . 6.000 3.797 3.031 4.425 . 0 0 "[ . 1 . 2 . ]" 1
96 1 8 PRO HA 1 126 GLU HA 6.000 . 7.000 7.039 5.025 7.290 0.290 20 0 "[ . 1 . 2 . ]" 1
97 1 8 PRO HB3 1 101 PHE HB3 5.000 . 6.000 4.567 4.158 5.058 . 0 0 "[ . 1 . 2 . ]" 1
98 1 8 PRO HB2 1 101 PHE HB3 5.000 . 6.000 5.566 5.149 5.999 . 0 0 "[ . 1 . 2 . ]" 1
99 1 8 PRO QB 1 101 PHE HB2 5.000 . 6.000 4.030 3.520 4.381 . 0 0 "[ . 1 . 2 . ]" 1
100 1 8 PRO QB 1 120 TYR QD 5.000 . 6.000 3.636 2.609 4.533 . 0 0 "[ . 1 . 2 . ]" 1
101 1 8 PRO HB3 1 120 TYR QE 5.000 . 6.000 5.065 3.299 6.121 0.121 18 0 "[ . 1 . 2 . ]" 1
102 1 8 PRO HB2 1 120 TYR QE 5.000 . 6.000 3.890 1.877 5.339 . 0 0 "[ . 1 . 2 . ]" 1
103 1 8 PRO QB 1 126 GLU H 5.000 . 6.000 4.578 3.852 5.924 . 0 0 "[ . 1 . 2 . ]" 1
104 1 8 PRO QG 1 126 GLU QG 5.000 . 6.000 3.061 1.727 4.385 0.073 15 0 "[ . 1 . 2 . ]" 1
105 1 8 PRO HG3 1 101 PHE QD 4.000 . 5.000 4.296 4.024 4.655 . 0 0 "[ . 1 . 2 . ]" 1
106 1 8 PRO HG2 1 101 PHE QD 4.000 . 5.000 4.920 4.696 5.126 0.126 18 0 "[ . 1 . 2 . ]" 1
107 1 8 PRO QD 1 101 PHE QD 4.000 . 5.000 2.991 2.612 4.260 . 0 0 "[ . 1 . 2 . ]" 1
108 1 8 PRO QD 1 125 GLU HA 5.000 . 6.000 6.159 6.083 6.260 0.260 25 0 "[ . 1 . 2 . ]" 1
109 1 8 PRO QD 1 126 GLU HA 5.000 . 6.000 4.554 2.361 5.434 . 0 0 "[ . 1 . 2 . ]" 1
110 1 8 PRO QD 1 126 GLU QG 5.000 . 6.000 3.378 1.778 5.225 0.022 15 0 "[ . 1 . 2 . ]" 1
111 1 9 GLN H 1 10 THR H 2.500 . 3.000 2.463 2.258 2.867 . 0 0 "[ . 1 . 2 . ]" 1
112 1 9 GLN HA 1 10 THR H 4.000 . 5.000 3.492 3.380 3.552 . 0 0 "[ . 1 . 2 . ]" 1
113 1 9 GLN HB3 1 10 THR H 3.000 . 4.000 3.250 1.870 4.058 0.058 7 0 "[ . 1 . 2 . ]" 1
114 1 9 GLN HB2 1 10 THR H 3.000 . 4.000 3.748 3.363 4.099 0.099 6 0 "[ . 1 . 2 . ]" 1
115 1 9 GLN QG 1 10 THR H 4.000 . 5.000 2.670 1.787 4.732 0.013 8 0 "[ . 1 . 2 . ]" 1
116 1 9 GLN H 1 11 ALA H 4.000 . 5.000 3.698 3.506 4.110 . 0 0 "[ . 1 . 2 . ]" 1
117 1 9 GLN HA 1 12 PHE H 3.000 . 4.000 3.949 3.323 4.084 0.084 24 0 "[ . 1 . 2 . ]" 1
118 1 9 GLN HA 1 12 PHE HB3 3.000 . 4.000 3.817 2.840 4.116 0.116 23 0 "[ . 1 . 2 . ]" 1
119 1 9 GLN HA 1 12 PHE HB2 3.000 . 4.000 3.960 3.158 4.148 0.148 23 0 "[ . 1 . 2 . ]" 1
120 1 9 GLN HA 1 13 CYS H 4.000 . 5.000 4.019 3.248 4.730 . 0 0 "[ . 1 . 2 . ]" 1
121 1 10 THR H 1 11 ALA H 2.500 . 3.000 2.379 1.916 3.093 0.093 19 0 "[ . 1 . 2 . ]" 1
122 1 10 THR HA 1 11 ALA H 3.000 . 4.000 3.588 3.472 3.655 . 0 0 "[ . 1 . 2 . ]" 1
123 1 10 THR HB 1 11 ALA H 3.000 . 4.000 2.803 2.628 2.968 . 0 0 "[ . 1 . 2 . ]" 1
124 1 10 THR MG 1 11 ALA H 4.000 . 5.000 2.938 2.647 3.280 . 0 0 "[ . 1 . 2 . ]" 1
125 1 10 THR HA 1 12 PHE H 4.000 . 5.000 4.434 3.944 4.883 . 0 0 "[ . 1 . 2 . ]" 1
126 1 10 THR HA 1 13 CYS H 3.000 . 4.000 3.995 3.579 4.179 0.179 26 0 "[ . 1 . 2 . ]" 1
127 1 10 THR HA 1 13 CYS HB2 3.000 . 4.000 3.538 3.091 4.188 0.188 14 0 "[ . 1 . 2 . ]" 1
128 1 10 THR HA 1 14 ASN H 4.000 . 5.000 3.581 3.003 4.086 . 0 0 "[ . 1 . 2 . ]" 1
129 1 10 THR HB 1 14 ASN QB 4.000 . 5.000 4.956 4.567 5.126 0.126 19 0 "[ . 1 . 2 . ]" 1
130 1 10 THR MG 1 14 ASN HB3 4.000 . 5.000 3.562 3.044 4.110 . 0 0 "[ . 1 . 2 . ]" 1
131 1 10 THR MG 1 14 ASN HB2 4.000 . 5.000 2.712 2.350 3.072 . 0 0 "[ . 1 . 2 . ]" 1
132 1 11 ALA H 1 12 PHE H 2.500 . 3.000 2.789 2.651 2.935 . 0 0 "[ . 1 . 2 . ]" 1
133 1 11 ALA HA 1 12 PHE H 3.000 . 4.000 3.561 3.440 3.609 . 0 0 "[ . 1 . 2 . ]" 1
134 1 11 ALA HA 1 12 PHE HA 4.000 . 5.000 4.697 4.463 4.790 . 0 0 "[ . 1 . 2 . ]" 1
135 1 11 ALA MB 1 12 PHE H 3.000 . 4.000 2.576 2.282 3.072 . 0 0 "[ . 1 . 2 . ]" 1
136 1 11 ALA H 1 13 CYS H 4.000 . 5.000 4.721 4.514 4.911 . 0 0 "[ . 1 . 2 . ]" 1
137 1 11 ALA HA 1 14 ASN H 3.000 . 4.000 3.961 3.638 4.237 0.237 19 0 "[ . 1 . 2 . ]" 1
138 1 11 ALA HA 1 14 ASN QB 3.000 . 4.000 3.400 3.116 3.845 . 0 0 "[ . 1 . 2 . ]" 1
139 1 11 ALA HA 1 15 SER H 4.000 . 5.000 3.781 3.527 4.111 . 0 0 "[ . 1 . 2 . ]" 1
140 1 11 ALA HA 1 15 SER HB2 4.000 . 5.000 3.821 3.502 5.224 0.224 19 0 "[ . 1 . 2 . ]" 1
141 1 11 ALA MB 1 15 SER HA 5.000 . 6.000 6.051 5.847 6.139 0.139 18 0 "[ . 1 . 2 . ]" 1
142 1 11 ALA H 1 101 PHE HB2 5.000 . 6.000 4.276 4.144 4.416 . 0 0 "[ . 1 . 2 . ]" 1
143 1 11 ALA HA 1 101 PHE HA 5.000 . 6.000 6.183 6.127 6.251 0.251 4 0 "[ . 1 . 2 . ]" 1
144 1 11 ALA HA 1 101 PHE HB3 4.000 . 5.000 4.566 4.281 4.892 . 0 0 "[ . 1 . 2 . ]" 1
145 1 11 ALA HA 1 101 PHE HB2 4.000 . 5.000 4.138 4.014 4.398 . 0 0 "[ . 1 . 2 . ]" 1
146 1 11 ALA MB 1 101 PHE H 4.000 . 5.000 2.191 1.781 2.539 0.019 19 0 "[ . 1 . 2 . ]" 1
147 1 11 ALA MB 1 101 PHE HA 4.000 . 5.000 3.626 3.507 3.717 . 0 0 "[ . 1 . 2 . ]" 1
148 1 11 ALA MB 1 101 PHE HB3 4.000 . 5.000 2.158 1.849 2.384 . 0 0 "[ . 1 . 2 . ]" 1
149 1 11 ALA MB 1 101 PHE HB2 4.000 . 5.000 1.781 1.746 1.881 0.054 19 0 "[ . 1 . 2 . ]" 1
150 1 11 ALA MB 1 101 PHE QD 4.000 . 5.000 2.808 2.372 3.210 . 0 0 "[ . 1 . 2 . ]" 1
151 1 12 PHE H 1 13 CYS H 2.500 . 3.000 2.791 2.521 2.955 . 0 0 "[ . 1 . 2 . ]" 1
152 1 12 PHE HA 1 13 CYS H 3.000 . 4.000 3.551 3.499 3.606 . 0 0 "[ . 1 . 2 . ]" 1
153 1 12 PHE HB3 1 13 CYS H 3.000 . 4.000 2.090 1.878 2.341 . 0 0 "[ . 1 . 2 . ]" 1
154 1 12 PHE HB2 1 13 CYS H 3.000 . 4.000 3.324 3.212 3.493 . 0 0 "[ . 1 . 2 . ]" 1
155 1 12 PHE QB 1 13 CYS HA 4.000 . 5.000 3.730 3.625 3.911 . 0 0 "[ . 1 . 2 . ]" 1
156 1 12 PHE QB 1 13 CYS HB3 4.000 . 5.000 4.918 4.402 5.053 0.053 26 0 "[ . 1 . 2 . ]" 1
157 1 12 PHE QB 1 13 CYS HB2 4.000 . 5.000 3.794 3.220 4.991 . 0 0 "[ . 1 . 2 . ]" 1
158 1 12 PHE QD 1 13 CYS H 4.000 . 5.000 3.638 3.275 3.920 . 0 0 "[ . 1 . 2 . ]" 1
159 1 12 PHE QD 1 13 CYS HA 4.000 . 5.000 3.579 2.900 4.241 . 0 0 "[ . 1 . 2 . ]" 1
160 1 12 PHE QE 1 13 CYS H 5.000 . 6.000 5.788 5.395 6.018 0.018 11 0 "[ . 1 . 2 . ]" 1
161 1 12 PHE H 1 14 ASN H 4.000 . 5.000 4.056 3.595 4.388 . 0 0 "[ . 1 . 2 . ]" 1
162 1 12 PHE HA 1 15 SER H 3.000 . 4.000 4.051 3.892 4.110 0.110 17 0 "[ . 1 . 2 . ]" 1
163 1 12 PHE HA 1 15 SER HB3 3.000 . 4.000 4.087 3.927 4.215 0.215 19 0 "[ . 1 . 2 . ]" 1
164 1 12 PHE HA 1 15 SER HB2 3.000 . 4.000 3.678 2.845 4.033 0.033 19 0 "[ . 1 . 2 . ]" 1
165 1 12 PHE HA 1 18 VAL MG2 4.000 . 5.000 2.450 2.133 2.725 . 0 0 "[ . 1 . 2 . ]" 1
166 1 12 PHE QB 1 14 ASN H 4.000 . 5.000 4.561 4.415 4.712 . 0 0 "[ . 1 . 2 . ]" 1
167 1 12 PHE QB 1 18 VAL MG1 4.000 . 5.000 4.277 3.790 4.739 . 0 0 "[ . 1 . 2 . ]" 1
168 1 12 PHE QD 1 18 VAL MG1 4.000 . 5.000 2.756 1.894 3.933 . 0 0 "[ . 1 . 2 . ]" 1
169 1 12 PHE QD 1 18 VAL MG2 4.000 . 5.000 2.983 2.086 3.617 . 0 0 "[ . 1 . 2 . ]" 1
170 1 12 PHE QB 1 120 TYR HA 5.000 . 6.000 4.564 4.105 5.150 . 0 0 "[ . 1 . 2 . ]" 1
171 1 12 PHE QD 1 120 TYR HB2 4.000 . 5.000 2.824 2.032 3.630 . 0 0 "[ . 1 . 2 . ]" 1
172 1 12 PHE QD 1 121 THR H 4.000 . 5.000 4.381 3.189 5.036 0.036 28 0 "[ . 1 . 2 . ]" 1
173 1 12 PHE QD 1 116 PHE HA 4.000 . 5.000 4.270 3.313 5.037 0.037 19 0 "[ . 1 . 2 . ]" 1
174 1 12 PHE QD 1 116 PHE QB 4.000 . 5.000 4.477 3.905 5.063 0.063 19 0 "[ . 1 . 2 . ]" 1
175 1 12 PHE QE 1 116 PHE HA 4.000 . 5.000 3.186 1.822 4.128 . 0 0 "[ . 1 . 2 . ]" 1
176 1 12 PHE HA 1 116 PHE QE 4.000 . 5.000 4.064 3.148 4.837 . 0 0 "[ . 1 . 2 . ]" 1
177 1 12 PHE HA 1 120 TYR HB3 5.000 . 6.000 5.314 4.665 6.060 0.060 19 0 "[ . 1 . 2 . ]" 1
178 1 12 PHE HA 1 120 TYR HB2 5.000 . 6.000 5.682 4.768 6.094 0.094 8 0 "[ . 1 . 2 . ]" 1
179 1 12 PHE QD 1 121 THR HA 4.000 . 5.000 2.790 1.820 3.560 . 0 0 "[ . 1 . 2 . ]" 1
180 1 12 PHE QD 1 121 THR HB 4.000 . 5.000 4.219 3.135 5.110 0.110 23 0 "[ . 1 . 2 . ]" 1
181 1 12 PHE QD 1 120 TYR QD 4.000 . 5.000 3.762 2.620 4.598 . 0 0 "[ . 1 . 2 . ]" 1
182 1 12 PHE QE 1 46 TYR HB2 4.000 . 5.000 3.785 2.362 4.732 . 0 0 "[ . 1 . 2 . ]" 1
183 1 12 PHE QE 1 120 TYR H 5.000 . 6.000 3.946 3.516 4.559 . 0 0 "[ . 1 . 2 . ]" 1
184 1 12 PHE QE 1 120 TYR HA 4.000 . 5.000 4.916 4.506 5.085 0.085 19 0 "[ . 1 . 2 . ]" 1
185 1 12 PHE QE 1 120 TYR HB2 4.000 . 5.000 2.963 2.178 3.723 . 0 0 "[ . 1 . 2 . ]" 1
186 1 12 PHE QE 1 121 THR HA 4.000 . 5.000 2.710 2.028 3.302 . 0 0 "[ . 1 . 2 . ]" 1
187 1 12 PHE QE 1 121 THR HB 4.000 . 5.000 2.714 1.850 4.107 . 0 0 "[ . 1 . 2 . ]" 1
188 1 12 PHE QE 1 121 THR MG 4.000 . 5.000 2.821 1.813 4.211 . 0 0 "[ . 1 . 2 . ]" 1
189 1 13 CYS H 1 14 ASN H 2.500 . 3.000 2.951 2.635 3.086 0.086 7 0 "[ . 1 . 2 . ]" 1
190 1 13 CYS HA 1 14 ASN H 3.000 . 4.000 3.592 3.514 3.671 . 0 0 "[ . 1 . 2 . ]" 1
191 1 13 CYS HB3 1 14 ASN H 3.000 . 4.000 3.537 2.631 4.346 0.346 19 0 "[ . 1 . 2 . ]" 1
192 1 13 CYS HB2 1 14 ASN H 3.000 . 4.000 3.305 2.683 3.820 . 0 0 "[ . 1 . 2 . ]" 1
193 1 13 CYS H 1 15 SER H 4.000 . 5.000 4.367 4.065 4.539 . 0 0 "[ . 1 . 2 . ]" 1
194 1 13 CYS HA 1 15 SER H 4.000 . 5.000 4.447 4.229 4.625 . 0 0 "[ . 1 . 2 . ]" 1
195 1 13 CYS HA 1 124 CYS HB3 4.000 . 5.000 4.113 3.344 4.700 . 0 0 "[ . 1 . 2 . ]" 1
196 1 13 CYS HB3 1 124 CYS HB3 4.000 . 5.000 4.740 3.823 5.016 0.016 22 0 "[ . 1 . 2 . ]" 1
197 1 13 CYS HB2 1 124 CYS HB3 4.000 . 5.000 3.777 2.374 5.209 0.209 19 0 "[ . 1 . 2 . ]" 1
198 1 13 CYS HB2 1 124 CYS HB2 4.000 . 5.000 3.074 1.722 4.978 0.078 25 0 "[ . 1 . 2 . ]" 1
199 1 14 ASN H 1 15 SER H 2.500 . 3.000 2.403 2.068 2.926 . 0 0 "[ . 1 . 2 . ]" 1
200 1 14 ASN HA 1 15 SER H 3.000 . 4.000 3.557 3.464 3.635 . 0 0 "[ . 1 . 2 . ]" 1
201 1 14 ASN HB3 1 15 SER H 3.000 . 4.000 3.081 2.552 3.660 . 0 0 "[ . 1 . 2 . ]" 1
202 1 14 ASN HB2 1 15 SER H 3.000 . 4.000 3.394 2.885 3.909 . 0 0 "[ . 1 . 2 . ]" 1
203 1 15 SER H 1 16 ASP H 3.000 . 4.000 4.308 4.190 4.360 0.360 17 0 "[ . 1 . 2 . ]" 1
204 1 15 SER HA 1 16 ASP H 3.000 . 4.000 2.006 1.874 2.416 . 0 0 "[ . 1 . 2 . ]" 1
205 1 15 SER HB3 1 16 ASP H 2.500 . 3.000 3.080 2.091 3.432 0.432 19 0 "[ . 1 . 2 . ]" 1
206 1 15 SER HB2 1 16 ASP H 3.000 . 4.000 3.900 3.002 4.103 0.103 2 0 "[ . 1 . 2 . ]" 1
207 1 15 SER HB3 1 16 ASP HB2 5.000 . 6.000 5.205 4.874 5.889 . 0 0 "[ . 1 . 2 . ]" 1
208 1 15 SER HB2 1 16 ASP HB2 5.000 . 6.000 6.125 5.296 6.259 0.259 25 0 "[ . 1 . 2 . ]" 1
209 1 15 SER H 1 17 LEU H 4.000 . 5.000 5.074 4.962 5.222 0.222 19 0 "[ . 1 . 2 . ]" 1
210 1 15 SER HA 1 17 LEU H 4.000 . 5.000 3.770 3.532 4.069 . 0 0 "[ . 1 . 2 . ]" 1
211 1 15 SER HA 1 18 VAL MG2 4.000 . 5.000 4.788 4.430 5.003 0.003 28 0 "[ . 1 . 2 . ]" 1
212 1 15 SER HB3 1 17 LEU H 4.000 . 5.000 2.493 2.224 3.771 . 0 0 "[ . 1 . 2 . ]" 1
213 1 15 SER HB2 1 17 LEU H 4.000 . 5.000 4.007 2.420 4.169 . 0 0 "[ . 1 . 2 . ]" 1
214 1 15 SER HB3 1 18 VAL MG2 4.000 . 5.000 2.475 2.201 3.286 . 0 0 "[ . 1 . 2 . ]" 1
215 1 15 SER HB2 1 18 VAL MG2 4.000 . 5.000 3.248 2.250 3.565 . 0 0 "[ . 1 . 2 . ]" 1
216 1 15 SER H 1 86 ALA MB 4.000 . 5.000 4.587 4.316 4.963 . 0 0 "[ . 1 . 2 . ]" 1
217 1 15 SER HB3 1 86 ALA MB 4.000 . 5.000 3.523 3.262 4.110 . 0 0 "[ . 1 . 2 . ]" 1
218 1 15 SER HB2 1 86 ALA MB 4.000 . 5.000 3.015 2.675 3.712 . 0 0 "[ . 1 . 2 . ]" 1
219 1 15 SER HB3 1 87 GLY H 4.000 . 5.000 3.061 2.495 3.949 . 0 0 "[ . 1 . 2 . ]" 1
220 1 15 SER HB2 1 87 GLY H 4.000 . 5.000 3.937 2.821 4.170 . 0 0 "[ . 1 . 2 . ]" 1
221 1 16 ASP H 1 17 LEU H 3.000 . 4.000 2.455 1.766 2.636 0.034 4 0 "[ . 1 . 2 . ]" 1
222 1 16 ASP HA 1 17 LEU H 3.000 . 4.000 3.092 2.976 3.191 . 0 0 "[ . 1 . 2 . ]" 1
223 1 16 ASP HA 1 17 LEU QB 4.000 . 5.000 4.808 4.537 5.141 0.141 23 0 "[ . 1 . 2 . ]" 1
224 1 16 ASP HA 1 17 LEU HG 4.000 . 5.000 4.952 4.320 5.182 0.182 15 0 "[ . 1 . 2 . ]" 1
225 1 16 ASP HB3 1 17 LEU H 4.000 . 5.000 4.122 3.855 4.270 . 0 0 "[ . 1 . 2 . ]" 1
226 1 16 ASP HB2 1 17 LEU H 4.000 . 5.000 3.733 3.479 3.936 . 0 0 "[ . 1 . 2 . ]" 1
227 1 16 ASP H 1 18 VAL MG2 4.000 . 5.000 4.595 3.828 5.002 0.002 23 0 "[ . 1 . 2 . ]" 1
228 1 16 ASP H 1 87 GLY H 5.000 . 6.000 4.680 3.943 4.946 . 0 0 "[ . 1 . 2 . ]" 1
229 1 16 ASP HA 1 47 LYS QB 4.000 . 5.000 4.943 4.576 5.071 0.071 27 0 "[ . 1 . 2 . ]" 1
230 1 16 ASP HA 1 47 LYS QG 4.000 . 5.000 4.825 3.329 5.049 0.049 19 0 "[ . 1 . 2 . ]" 1
231 1 16 ASP HA 1 47 LYS QE 4.000 . 5.000 3.011 1.962 3.700 . 0 0 "[ . 1 . 2 . ]" 1
232 1 16 ASP HA 1 88 LYS H 5.000 . 6.000 6.264 6.178 6.497 0.497 15 0 "[ . 1 . 2 . ]" 1
233 1 16 ASP HA 1 88 LYS HB3 5.000 . 6.000 5.433 4.637 6.217 0.217 8 0 "[ . 1 . 2 . ]" 1
234 1 16 ASP HA 1 88 LYS HB2 5.000 . 6.000 5.693 4.290 6.179 0.179 23 0 "[ . 1 . 2 . ]" 1
235 1 16 ASP HA 1 88 LYS QG 4.000 . 5.000 3.815 3.337 5.143 0.143 29 0 "[ . 1 . 2 . ]" 1
236 1 16 ASP HA 1 88 LYS QD 4.000 . 5.000 4.720 3.704 5.128 0.128 14 0 "[ . 1 . 2 . ]" 1
237 1 16 ASP HA 1 89 LEU H 4.000 . 5.000 4.904 4.425 5.299 0.299 18 0 "[ . 1 . 2 . ]" 1
238 1 16 ASP HB2 1 47 LYS QE 5.000 . 6.000 5.504 4.495 5.996 . 0 0 "[ . 1 . 2 . ]" 1
239 1 16 ASP HB3 1 51 ALA MB 5.000 . 6.000 4.479 3.704 5.028 . 0 0 "[ . 1 . 2 . ]" 1
240 1 16 ASP HB2 1 51 ALA MB 5.000 . 6.000 5.848 5.195 6.067 0.067 25 0 "[ . 1 . 2 . ]" 1
241 1 16 ASP HB2 1 88 LYS H 4.000 . 5.000 4.365 4.001 4.739 . 0 0 "[ . 1 . 2 . ]" 1
242 1 16 ASP HB3 1 88 LYS QB 4.000 . 5.000 3.724 2.963 4.801 . 0 0 "[ . 1 . 2 . ]" 1
243 1 16 ASP HB2 1 88 LYS QB 4.000 . 5.000 2.320 1.850 3.333 . 0 0 "[ . 1 . 2 . ]" 1
244 1 16 ASP HB3 1 89 LEU H 4.000 . 5.000 2.681 2.061 3.337 . 0 0 "[ . 1 . 2 . ]" 1
245 1 16 ASP HB2 1 89 LEU H 4.000 . 5.000 2.403 1.919 3.234 . 0 0 "[ . 1 . 2 . ]" 1
246 1 17 LEU H 1 18 VAL H 4.000 . 5.000 3.904 3.758 4.128 . 0 0 "[ . 1 . 2 . ]" 1
247 1 17 LEU HA 1 18 VAL H 2.500 . 2.700 2.097 2.041 2.177 . 0 0 "[ . 1 . 2 . ]" 1
248 1 17 LEU QB 1 18 VAL H 4.000 . 5.000 3.353 2.534 3.563 . 0 0 "[ . 1 . 2 . ]" 1
249 1 17 LEU HG 1 18 VAL H 4.000 . 5.000 4.259 3.405 5.128 0.128 15 0 "[ . 1 . 2 . ]" 1
250 1 17 LEU MD2 1 18 VAL H 4.000 . 5.000 3.205 2.354 4.474 . 0 0 "[ . 1 . 2 . ]" 1
251 1 17 LEU H 1 87 GLY H 3.000 . 4.000 3.265 3.028 3.472 . 0 0 "[ . 1 . 2 . ]" 1
252 1 17 LEU H 1 87 GLY QA 4.000 . 5.000 4.218 3.962 4.388 . 0 0 "[ . 1 . 2 . ]" 1
253 1 17 LEU HA 1 47 LYS H 4.000 . 5.000 4.745 3.982 5.149 0.149 19 0 "[ . 1 . 2 . ]" 1
254 1 17 LEU QB 1 48 GLY QA 4.000 . 5.000 4.080 1.854 5.041 0.041 19 0 "[ . 1 . 2 . ]" 1
255 1 17 LEU QB 1 87 GLY H 4.000 . 5.000 3.788 3.372 4.914 . 0 0 "[ . 1 . 2 . ]" 1
256 1 17 LEU QB 1 89 LEU MD1 4.000 . 5.000 3.972 3.455 4.580 . 0 0 "[ . 1 . 2 . ]" 1
257 1 17 LEU QB 1 89 LEU MD2 4.000 . 5.000 3.684 3.319 4.452 . 0 0 "[ . 1 . 2 . ]" 1
258 1 17 LEU HG 1 47 LYS QB 5.000 . 6.000 5.092 3.927 6.053 0.053 19 0 "[ . 1 . 2 . ]" 1
259 1 17 LEU MD1 1 51 ALA MB 4.000 . 5.000 3.379 1.844 5.109 0.109 12 0 "[ . 1 . 2 . ]" 1
260 1 17 LEU MD2 1 47 LYS H 4.000 . 5.000 4.519 3.920 5.247 0.247 23 0 "[ . 1 . 2 . ]" 1
261 1 17 LEU MD2 1 48 GLY H 4.000 . 5.000 4.576 3.854 5.172 0.172 15 0 "[ . 1 . 2 . ]" 1
262 1 17 LEU MD2 1 48 GLY HA3 4.000 . 5.000 2.342 1.925 2.776 . 0 0 "[ . 1 . 2 . ]" 1
263 1 17 LEU MD2 1 48 GLY HA2 4.000 . 5.000 3.228 2.081 3.809 . 0 0 "[ . 1 . 2 . ]" 1
264 1 17 LEU MD2 1 51 ALA MB 4.000 . 5.000 3.227 2.311 4.317 . 0 0 "[ . 1 . 2 . ]" 1
265 1 18 VAL H 1 19 ILE H 4.000 . 5.000 4.193 4.067 4.312 . 0 0 "[ . 1 . 2 . ]" 1
266 1 18 VAL HA 1 19 ILE H 2.500 . 2.700 2.191 2.117 2.269 . 0 0 "[ . 1 . 2 . ]" 1
267 1 18 VAL HB 1 19 ILE H 4.000 . 5.000 4.048 3.897 4.213 . 0 0 "[ . 1 . 2 . ]" 1
268 1 18 VAL MG1 1 19 ILE H 4.000 . 5.000 2.671 2.334 2.984 . 0 0 "[ . 1 . 2 . ]" 1
269 1 18 VAL MG2 1 19 ILE H 4.000 . 5.000 4.270 4.156 4.342 . 0 0 "[ . 1 . 2 . ]" 1
270 1 18 VAL H 1 46 TYR H 3.000 . 4.000 4.110 4.044 4.166 0.166 29 0 "[ . 1 . 2 . ]" 1
271 1 18 VAL H 1 46 TYR HB2 4.000 . 5.000 4.829 3.996 5.104 0.104 5 0 "[ . 1 . 2 . ]" 1
272 1 18 VAL H 1 47 LYS H 4.000 . 5.000 3.215 2.389 3.679 . 0 0 "[ . 1 . 2 . ]" 1
273 1 18 VAL H 1 47 LYS QB 4.000 . 5.000 2.145 1.805 2.723 . 0 0 "[ . 1 . 2 . ]" 1
274 1 18 VAL H 1 48 GLY QA 4.000 . 5.000 3.981 3.642 4.531 . 0 0 "[ . 1 . 2 . ]" 1
275 1 18 VAL H 1 87 GLY H 4.000 . 5.000 4.516 4.398 4.671 . 0 0 "[ . 1 . 2 . ]" 1
276 1 18 VAL HA 1 86 ALA HA 2.500 . 3.000 2.421 2.176 2.566 . 0 0 "[ . 1 . 2 . ]" 1
277 1 18 VAL HA 1 86 ALA MB 4.000 . 5.000 3.989 3.687 4.175 . 0 0 "[ . 1 . 2 . ]" 1
278 1 18 VAL HA 1 87 GLY H 3.000 . 4.000 3.032 2.775 3.273 . 0 0 "[ . 1 . 2 . ]" 1
279 1 18 VAL HB 1 46 TYR HA 4.000 . 5.000 5.091 5.017 5.189 0.189 23 0 "[ . 1 . 2 . ]" 1
280 1 18 VAL HB 1 46 TYR HB2 4.000 . 5.000 3.055 2.282 3.536 . 0 0 "[ . 1 . 2 . ]" 1
281 1 18 VAL HB 1 47 LYS QE 5.000 . 6.000 5.096 3.651 5.875 . 0 0 "[ . 1 . 2 . ]" 1
282 1 18 VAL MG1 1 46 TYR H 4.000 . 5.000 4.242 3.836 4.788 . 0 0 "[ . 1 . 2 . ]" 1
283 1 18 VAL MG1 1 46 TYR HB2 4.000 . 5.000 2.848 2.550 3.173 . 0 0 "[ . 1 . 2 . ]" 1
284 1 18 VAL MG1 1 46 TYR QD 4.000 . 5.000 4.023 3.569 4.454 . 0 0 "[ . 1 . 2 . ]" 1
285 1 18 VAL MG1 1 47 LYS H 4.000 . 5.000 4.708 3.594 5.089 0.089 9 0 "[ . 1 . 2 . ]" 1
286 1 18 VAL MG1 1 84 LEU MD1 3.000 . 4.000 2.747 1.849 3.149 . 0 0 "[ . 1 . 2 . ]" 1
287 1 18 VAL MG1 1 84 LEU MD2 3.000 . 4.000 2.598 2.080 3.134 . 0 0 "[ . 1 . 2 . ]" 1
288 1 18 VAL MG2 1 86 ALA HA 4.000 . 5.000 2.377 1.888 2.867 . 0 0 "[ . 1 . 2 . ]" 1
289 1 18 VAL MG1 1 86 ALA MB 3.000 . 4.000 2.636 2.419 2.954 . 0 0 "[ . 1 . 2 . ]" 1
290 1 18 VAL MG2 1 86 ALA MB 3.000 . 4.000 2.705 2.419 3.124 . 0 0 "[ . 1 . 2 . ]" 1
291 1 18 VAL MG2 1 87 GLY H 4.000 . 5.000 2.862 2.394 3.375 . 0 0 "[ . 1 . 2 . ]" 1
292 1 19 ILE H 1 20 ARG H 4.000 . 5.000 4.293 4.248 4.350 . 0 0 "[ . 1 . 2 . ]" 1
293 1 19 ILE HA 1 20 ARG H 2.500 . 2.700 2.398 2.166 2.778 0.078 29 0 "[ . 1 . 2 . ]" 1
294 1 19 ILE HB 1 20 ARG H 4.000 . 5.000 2.315 1.768 2.739 0.032 23 0 "[ . 1 . 2 . ]" 1
295 1 19 ILE QG 1 20 ARG H 4.000 . 5.000 3.424 2.574 4.047 . 0 0 "[ . 1 . 2 . ]" 1
296 1 19 ILE MD 1 20 ARG H 4.000 . 5.000 3.811 2.227 4.754 . 0 0 "[ . 1 . 2 . ]" 1
297 1 19 ILE MG 1 20 ARG H 4.000 . 5.000 3.658 3.413 3.816 . 0 0 "[ . 1 . 2 . ]" 1
298 1 19 ILE H 1 85 ILE HB 4.000 . 5.000 2.716 2.221 3.217 . 0 0 "[ . 1 . 2 . ]" 1
299 1 19 ILE H 1 86 ALA HA 3.000 . 4.000 4.010 3.691 4.098 0.098 18 0 "[ . 1 . 2 . ]" 1
300 1 19 ILE HA 1 45 MET HA 3.000 . 3.500 2.538 2.133 3.015 . 0 0 "[ . 1 . 2 . ]" 1
301 1 19 ILE HA 1 46 TYR H 3.000 . 4.000 2.008 1.738 2.399 0.062 21 0 "[ . 1 . 2 . ]" 1
302 1 19 ILE HB 1 44 LYS H 4.000 . 5.000 3.926 3.719 4.249 . 0 0 "[ . 1 . 2 . ]" 1
303 1 19 ILE HB 1 58 ILE QG 5.000 . 6.000 5.121 2.873 6.103 0.103 17 0 "[ . 1 . 2 . ]" 1
304 1 19 ILE HB 1 58 ILE MD 5.000 . 6.000 4.061 2.558 6.120 0.120 25 0 "[ . 1 . 2 . ]" 1
305 1 19 ILE HB 1 58 ILE MG 5.000 . 6.000 4.667 3.907 5.691 . 0 0 "[ . 1 . 2 . ]" 1
306 1 19 ILE QG 1 58 ILE MG 4.000 . 5.000 2.724 1.878 3.773 . 0 0 "[ . 1 . 2 . ]" 1
307 1 19 ILE QG 1 94 LEU MD1 5.000 . 6.000 4.378 3.539 5.255 . 0 0 "[ . 1 . 2 . ]" 1
308 1 19 ILE MD 1 40 ILE MD 4.000 . 5.000 3.280 2.232 4.472 . 0 0 "[ . 1 . 2 . ]" 1
309 1 19 ILE MD 1 42 MET QG 4.000 . 5.000 3.241 1.792 4.866 0.008 28 0 "[ . 1 . 2 . ]" 1
310 1 19 ILE MD 1 58 ILE MD 5.000 . 6.000 3.254 1.887 5.789 . 0 0 "[ . 1 . 2 . ]" 1
311 1 19 ILE MD 1 58 ILE HB 4.000 . 5.000 3.177 2.339 5.032 0.032 19 0 "[ . 1 . 2 . ]" 1
312 1 19 ILE MD 1 58 ILE MG 4.000 . 5.000 2.357 1.857 3.848 . 0 0 "[ . 1 . 2 . ]" 1
313 1 19 ILE MD 1 94 LEU MD2 4.000 . 5.000 2.857 1.951 3.988 . 0 0 "[ . 1 . 2 . ]" 1
314 1 19 ILE MG 1 42 MET HA 5.000 . 6.000 5.843 5.484 6.059 0.059 6 0 "[ . 1 . 2 . ]" 1
315 1 19 ILE MG 1 42 MET QG 4.000 . 5.000 3.691 3.252 4.668 . 0 0 "[ . 1 . 2 . ]" 1
316 1 19 ILE MG 1 44 LYS H 4.000 . 5.000 5.052 4.956 5.155 0.155 2 0 "[ . 1 . 2 . ]" 1
317 1 19 ILE MG 1 45 MET HA 4.000 . 5.000 1.806 1.718 1.864 0.082 9 0 "[ . 1 . 2 . ]" 1
318 1 19 ILE MG 1 45 MET QB 4.000 . 5.000 2.226 1.760 3.250 0.040 28 0 "[ . 1 . 2 . ]" 1
319 1 19 ILE MG 1 46 TYR H 4.000 . 5.000 1.929 1.750 2.504 0.050 20 0 "[ . 1 . 2 . ]" 1
320 1 20 ARG HA 1 21 ALA H 2.500 . 2.700 2.034 1.973 2.120 . 0 0 "[ . 1 . 2 . ]" 1
321 1 20 ARG HA 1 21 ALA MB 4.000 . 5.000 3.847 3.739 3.943 . 0 0 "[ . 1 . 2 . ]" 1
322 1 20 ARG HB3 1 21 ALA H 4.000 . 5.000 4.086 3.787 4.309 . 0 0 "[ . 1 . 2 . ]" 1
323 1 20 ARG HB2 1 21 ALA H 3.000 . 4.000 3.155 2.936 3.407 . 0 0 "[ . 1 . 2 . ]" 1
324 1 20 ARG QG 1 21 ALA H 4.000 . 5.000 3.984 3.456 4.502 . 0 0 "[ . 1 . 2 . ]" 1
325 1 20 ARG H 1 43 THR H 4.000 . 5.000 4.615 4.045 4.983 . 0 0 "[ . 1 . 2 . ]" 1
326 1 20 ARG H 1 44 LYS H 3.000 . 4.000 3.154 2.864 3.435 . 0 0 "[ . 1 . 2 . ]" 1
327 1 20 ARG H 1 45 MET HA 3.000 . 4.000 3.298 3.026 3.708 . 0 0 "[ . 1 . 2 . ]" 1
328 1 20 ARG H 1 46 TYR H 4.000 . 5.000 4.002 3.771 4.320 . 0 0 "[ . 1 . 2 . ]" 1
329 1 20 ARG H 1 46 TYR HB3 5.000 . 6.000 6.025 5.734 6.336 0.336 14 0 "[ . 1 . 2 . ]" 1
330 1 20 ARG H 1 46 TYR QE 4.000 . 5.000 3.347 1.748 5.056 0.056 7 0 "[ . 1 . 2 . ]" 1
331 1 20 ARG H 1 85 ILE HB 4.000 . 5.000 5.120 5.032 5.197 0.197 8 0 "[ . 1 . 2 . ]" 1
332 1 20 ARG HA 1 83 PHE H 5.000 . 6.000 4.050 3.691 4.578 . 0 0 "[ . 1 . 2 . ]" 1
333 1 20 ARG HA 1 84 LEU HA 3.000 . 4.000 2.491 2.182 2.722 . 0 0 "[ . 1 . 2 . ]" 1
334 1 20 ARG HA 1 84 LEU MD2 4.000 . 5.000 3.431 2.932 4.802 . 0 0 "[ . 1 . 2 . ]" 1
335 1 20 ARG HA 1 85 ILE H 3.000 . 4.000 3.135 2.937 3.352 . 0 0 "[ . 1 . 2 . ]" 1
336 1 20 ARG HB3 1 44 LYS H 4.000 . 5.000 4.635 4.223 5.008 0.008 4 0 "[ . 1 . 2 . ]" 1
337 1 20 ARG HB2 1 44 LYS H 4.000 . 5.000 4.474 3.713 5.040 0.040 22 0 "[ . 1 . 2 . ]" 1
338 1 20 ARG HB3 1 46 TYR QE 4.000 . 5.000 2.841 1.773 5.003 0.027 19 0 "[ . 1 . 2 . ]" 1
339 1 20 ARG HB3 1 85 ILE H 5.000 . 6.000 4.722 4.476 5.056 . 0 0 "[ . 1 . 2 . ]" 1
340 1 20 ARG QG 1 44 LYS H 4.000 . 5.000 2.131 1.787 2.596 0.013 6 0 "[ . 1 . 2 . ]" 1
341 1 20 ARG QG 1 46 TYR QE 4.000 . 5.000 2.136 1.750 3.958 0.050 6 0 "[ . 1 . 2 . ]" 1
342 1 20 ARG QG 1 84 LEU HA 4.000 . 5.000 5.102 5.015 5.206 0.206 10 0 "[ . 1 . 2 . ]" 1
343 1 20 ARG QD 1 46 TYR QE 4.000 . 5.000 2.912 1.790 4.093 0.010 25 0 "[ . 1 . 2 . ]" 1
344 1 21 ALA HA 1 22 LYS H 2.500 . 2.700 2.314 2.238 2.376 . 0 0 "[ . 1 . 2 . ]" 1
345 1 21 ALA MB 1 22 LYS H 4.000 . 5.000 2.042 1.861 2.296 . 0 0 "[ . 1 . 2 . ]" 1
346 1 21 ALA MB 1 22 LYS HB3 4.000 . 5.000 4.937 4.822 5.032 0.032 8 0 "[ . 1 . 2 . ]" 1
347 1 21 ALA H 1 43 THR H 4.000 . 5.000 4.270 4.041 4.549 . 0 0 "[ . 1 . 2 . ]" 1
348 1 21 ALA H 1 83 PHE H 3.000 . 4.000 2.676 2.409 2.941 . 0 0 "[ . 1 . 2 . ]" 1
349 1 21 ALA H 1 84 LEU MD2 5.000 . 6.000 4.929 4.524 6.120 0.120 21 0 "[ . 1 . 2 . ]" 1
350 1 21 ALA H 1 85 ILE HB 5.000 . 6.000 4.875 4.662 5.126 . 0 0 "[ . 1 . 2 . ]" 1
351 1 21 ALA H 1 85 ILE MD 4.000 . 5.000 3.638 2.718 4.813 . 0 0 "[ . 1 . 2 . ]" 1
352 1 21 ALA HA 1 40 ILE MG 5.000 . 6.000 5.687 5.357 6.020 0.020 17 0 "[ . 1 . 2 . ]" 1
353 1 21 ALA HA 1 43 THR H 4.000 . 5.000 1.975 1.813 2.276 . 0 0 "[ . 1 . 2 . ]" 1
354 1 21 ALA HA 1 43 THR HA 4.000 . 5.000 4.069 3.902 4.315 . 0 0 "[ . 1 . 2 . ]" 1
355 1 21 ALA HA 1 44 LYS H 3.000 . 4.000 3.970 3.776 4.113 0.113 4 0 "[ . 1 . 2 . ]" 1
356 1 21 ALA MB 1 40 ILE MD 4.000 . 5.000 2.622 1.936 4.224 . 0 0 "[ . 1 . 2 . ]" 1
357 1 21 ALA MB 1 85 ILE H 5.000 . 6.000 5.066 4.639 5.424 . 0 0 "[ . 1 . 2 . ]" 1
358 1 22 LYS HA 1 23 PHE H 2.500 . 2.700 2.323 2.274 2.387 . 0 0 "[ . 1 . 2 . ]" 1
359 1 22 LYS HB3 1 23 PHE H 4.000 . 5.000 3.020 2.835 3.186 . 0 0 "[ . 1 . 2 . ]" 1
360 1 22 LYS HB2 1 23 PHE H 4.000 . 5.000 4.210 4.101 4.295 . 0 0 "[ . 1 . 2 . ]" 1
361 1 22 LYS HB3 1 23 PHE HA 4.000 . 5.000 4.447 4.345 4.543 . 0 0 "[ . 1 . 2 . ]" 1
362 1 22 LYS QG 1 23 PHE H 4.000 . 5.000 3.471 3.232 3.657 . 0 0 "[ . 1 . 2 . ]" 1
363 1 22 LYS HB3 1 24 VAL MG1 4.000 . 5.000 2.948 2.461 3.646 . 0 0 "[ . 1 . 2 . ]" 1
364 1 22 LYS HB2 1 24 VAL MG1 4.000 . 5.000 3.873 3.407 4.417 . 0 0 "[ . 1 . 2 . ]" 1
365 1 22 LYS HB2 1 24 VAL MG2 4.000 . 5.000 4.431 3.401 5.065 0.065 16 0 "[ . 1 . 2 . ]" 1
366 1 22 LYS H 1 43 THR HA 4.000 . 5.000 5.128 5.039 5.208 0.208 24 0 "[ . 1 . 2 . ]" 1
367 1 22 LYS HB3 1 40 ILE HA 5.000 . 6.000 5.213 5.019 5.387 . 0 0 "[ . 1 . 2 . ]" 1
368 1 22 LYS HB3 1 41 LYS HA 4.000 . 5.000 5.176 5.112 5.257 0.257 9 0 "[ . 1 . 2 . ]" 1
369 1 22 LYS HB3 1 41 LYS QB 4.000 . 5.000 2.357 2.187 2.485 . 0 0 "[ . 1 . 2 . ]" 1
370 1 22 LYS HB2 1 81 GLU H 5.000 . 6.000 5.711 5.302 6.091 0.091 6 0 "[ . 1 . 2 . ]" 1
371 1 22 LYS HB2 1 82 GLU H 5.000 . 6.000 6.148 5.975 6.252 0.252 18 0 "[ . 1 . 2 . ]" 1
372 1 22 LYS HB2 1 82 GLU HA 4.000 . 5.000 4.118 3.885 4.310 . 0 0 "[ . 1 . 2 . ]" 1
373 1 22 LYS HB2 1 82 GLU QB 5.000 . 6.000 5.599 4.584 6.030 0.030 27 0 "[ . 1 . 2 . ]" 1
374 1 22 LYS HB2 1 82 GLU QG 5.000 . 6.000 4.984 4.234 6.042 0.042 10 0 "[ . 1 . 2 . ]" 1
375 1 22 LYS QG 1 80 SER HA 4.000 . 5.000 3.042 2.278 4.281 . 0 0 "[ . 1 . 2 . ]" 1
376 1 22 LYS QG 1 81 GLU H 4.000 . 5.000 2.863 2.449 3.229 . 0 0 "[ . 1 . 2 . ]" 1
377 1 22 LYS QG 1 82 GLU H 4.000 . 5.000 3.421 3.163 3.622 . 0 0 "[ . 1 . 2 . ]" 1
378 1 22 LYS QG 1 82 GLU HG3 4.000 . 5.000 3.825 2.745 4.916 . 0 0 "[ . 1 . 2 . ]" 1
379 1 22 LYS QG 1 82 GLU HG2 4.000 . 5.000 3.773 2.427 4.794 . 0 0 "[ . 1 . 2 . ]" 1
380 1 22 LYS QD 1 80 SER HA 4.000 . 5.000 2.006 1.698 3.474 0.102 22 0 "[ . 1 . 2 . ]" 1
381 1 22 LYS HD3 1 80 SER QB 4.000 . 5.000 3.745 2.882 5.119 0.119 20 0 "[ . 1 . 2 . ]" 1
382 1 22 LYS HD2 1 80 SER QB 4.000 . 5.000 4.654 3.540 5.132 0.132 17 0 "[ . 1 . 2 . ]" 1
383 1 22 LYS QD 1 81 GLU H 4.000 . 5.000 3.609 1.897 4.855 . 0 0 "[ . 1 . 2 . ]" 1
384 1 22 LYS QD 1 82 GLU QG 4.000 . 5.000 3.664 1.948 4.991 . 0 0 "[ . 1 . 2 . ]" 1
385 1 22 LYS QD 1 82 GLU HA 4.000 . 5.000 3.732 2.440 4.136 . 0 0 "[ . 1 . 2 . ]" 1
386 1 22 LYS QD 1 82 GLU H 4.000 . 5.000 4.197 3.033 4.667 . 0 0 "[ . 1 . 2 . ]" 1
387 1 22 LYS QE 1 80 SER QB 4.000 . 5.000 4.239 2.546 5.007 0.007 24 0 "[ . 1 . 2 . ]" 1
388 1 22 LYS HE3 1 82 GLU HA 4.000 . 5.000 3.488 2.055 5.084 0.084 16 0 "[ . 1 . 2 . ]" 1
389 1 22 LYS HE2 1 82 GLU HA 4.000 . 5.000 3.679 1.921 5.072 0.072 23 0 "[ . 1 . 2 . ]" 1
390 1 22 LYS QE 1 82 GLU HG3 4.000 . 5.000 3.139 1.761 4.628 0.039 18 0 "[ . 1 . 2 . ]" 1
391 1 22 LYS QE 1 82 GLU HG2 4.000 . 5.000 3.029 1.769 5.005 0.031 27 0 "[ . 1 . 2 . ]" 1
392 1 22 LYS QE 1 43 THR MG 4.000 . 5.000 3.165 1.865 4.759 . 0 0 "[ . 1 . 2 . ]" 1
393 1 22 LYS QE 1 81 GLU H 4.000 . 5.000 4.679 3.677 5.008 0.008 11 0 "[ . 1 . 2 . ]" 1
394 1 22 LYS QE 1 82 GLU H 5.000 . 6.000 3.684 2.669 5.681 . 0 0 "[ . 1 . 2 . ]" 1
395 1 23 PHE HA 1 24 VAL H 2.500 . 2.700 1.978 1.930 2.025 . 0 0 "[ . 1 . 2 . ]" 1
396 1 23 PHE HA 1 24 VAL HB 4.000 . 5.000 5.369 5.286 5.427 0.427 12 0 "[ . 1 . 2 . ]" 1
397 1 23 PHE HA 1 24 VAL MG2 4.000 . 5.000 3.207 2.900 3.593 . 0 0 "[ . 1 . 2 . ]" 1
398 1 23 PHE QB 1 24 VAL H 4.000 . 5.000 3.280 2.856 3.423 . 0 0 "[ . 1 . 2 . ]" 1
399 1 23 PHE QD 1 24 VAL H 4.000 . 5.000 4.135 3.322 4.575 . 0 0 "[ . 1 . 2 . ]" 1
400 1 23 PHE HA 1 40 ILE H 4.000 . 5.000 4.864 4.625 5.055 0.055 6 0 "[ . 1 . 2 . ]" 1
401 1 23 PHE HA 1 40 ILE MG 4.000 . 5.000 2.001 1.815 2.282 . 0 0 "[ . 1 . 2 . ]" 1
402 1 23 PHE HA 1 41 LYS H 4.000 . 5.000 2.985 2.760 3.245 . 0 0 "[ . 1 . 2 . ]" 1
403 1 23 PHE QB 1 38 TYR QD 4.000 . 5.000 4.562 4.025 5.033 0.033 9 0 "[ . 1 . 2 . ]" 1
404 1 23 PHE HA 1 38 TYR QB 4.000 . 5.000 5.086 5.033 5.154 0.154 4 0 "[ . 1 . 2 . ]" 1
405 1 23 PHE QB 1 83 PHE QD 4.000 . 5.000 4.609 4.043 5.046 0.046 4 0 "[ . 1 . 2 . ]" 1
406 1 23 PHE QD 1 83 PHE QD 4.000 . 5.000 3.026 1.914 3.947 . 0 0 "[ . 1 . 2 . ]" 1
407 1 23 PHE QD 1 38 TYR QD 4.000 . 5.000 3.394 2.522 4.816 . 0 0 "[ . 1 . 2 . ]" 1
408 1 23 PHE QD 1 85 ILE QG 5.000 . 6.000 5.243 4.577 5.853 . 0 0 "[ . 1 . 2 . ]" 1
409 1 23 PHE QE 1 61 VAL MG1 4.000 . 5.000 3.171 2.120 4.194 . 0 0 "[ . 1 . 2 . ]" 1
410 1 23 PHE QE 1 61 VAL HB 5.000 . 6.000 4.963 4.122 5.691 . 0 0 "[ . 1 . 2 . ]" 1
411 1 23 PHE HZ 1 61 VAL MG2 5.000 . 6.000 3.756 2.431 5.804 . 0 0 "[ . 1 . 2 . ]" 1
412 1 23 PHE QE 1 72 TYR QE 4.000 . 5.000 2.902 1.943 4.972 . 0 0 "[ . 1 . 2 . ]" 1
413 1 23 PHE QE 1 85 ILE MD 4.000 . 5.000 2.884 2.163 3.748 . 0 0 "[ . 1 . 2 . ]" 1
414 1 23 PHE HZ 1 74 HIS QB 4.000 . 5.000 4.279 3.548 5.013 0.013 15 0 "[ . 1 . 2 . ]" 1
415 1 23 PHE HZ 1 85 ILE MD 4.000 . 5.000 3.185 2.083 4.078 . 0 0 "[ . 1 . 2 . ]" 1
416 1 24 VAL H 1 25 GLY H 3.000 . 4.000 2.823 2.676 3.279 . 0 0 "[ . 1 . 2 . ]" 1
417 1 24 VAL HA 1 25 GLY H 3.000 . 4.000 2.921 2.629 3.580 . 0 0 "[ . 1 . 2 . ]" 1
418 1 24 VAL HB 1 25 GLY H 4.000 . 5.000 3.895 2.004 4.434 . 0 0 "[ . 1 . 2 . ]" 1
419 1 24 VAL MG1 1 25 GLY H 4.000 . 5.000 4.195 3.601 4.395 . 0 0 "[ . 1 . 2 . ]" 1
420 1 24 VAL MG2 1 25 GLY H 4.000 . 5.000 3.407 1.794 4.004 0.006 16 0 "[ . 1 . 2 . ]" 1
421 1 24 VAL H 1 40 ILE HA 4.000 . 5.000 1.783 1.655 2.121 0.145 15 0 "[ . 1 . 2 . ]" 1
422 1 24 VAL H 1 40 ILE HB 4.000 . 5.000 4.192 3.962 4.477 . 0 0 "[ . 1 . 2 . ]" 1
423 1 24 VAL H 1 40 ILE MG 4.000 . 5.000 3.020 2.745 3.279 . 0 0 "[ . 1 . 2 . ]" 1
424 1 24 VAL H 1 40 ILE QG 5.000 . 6.000 4.785 4.661 5.031 . 0 0 "[ . 1 . 2 . ]" 1
425 1 24 VAL H 1 41 LYS H 4.000 . 5.000 2.955 2.588 3.561 . 0 0 "[ . 1 . 2 . ]" 1
426 1 24 VAL HB 1 41 LYS H 4.000 . 5.000 4.652 4.126 5.291 0.291 4 0 "[ . 1 . 2 . ]" 1
427 1 24 VAL HB 1 41 LYS HA 4.000 . 5.000 5.114 4.955 5.267 0.267 6 0 "[ . 1 . 2 . ]" 1
428 1 24 VAL MG1 1 41 LYS HA 5.000 . 6.000 3.794 3.047 4.926 . 0 0 "[ . 1 . 2 . ]" 1
429 1 24 VAL MG2 1 39 GLU HB3 4.000 . 5.000 3.558 2.554 4.538 . 0 0 "[ . 1 . 2 . ]" 1
430 1 24 VAL MG2 1 39 GLU HB2 4.000 . 5.000 4.131 2.573 5.033 0.033 7 0 "[ . 1 . 2 . ]" 1
431 1 24 VAL MG2 1 40 ILE H 4.000 . 5.000 3.398 2.956 3.874 . 0 0 "[ . 1 . 2 . ]" 1
432 1 24 VAL MG2 1 40 ILE HA 4.000 . 5.000 2.134 1.700 2.515 0.100 11 0 "[ . 1 . 2 . ]" 1
433 1 24 VAL MG2 1 40 ILE MG 4.000 . 5.000 3.675 3.235 3.976 . 0 0 "[ . 1 . 2 . ]" 1
434 1 24 VAL MG2 1 41 LYS H 4.000 . 5.000 2.045 1.677 2.813 0.123 1 0 "[ . 1 . 2 . ]" 1
435 1 24 VAL MG2 1 41 LYS QG 4.000 . 5.000 3.000 1.766 4.397 0.034 1 0 "[ . 1 . 2 . ]" 1
436 1 24 VAL MG2 1 41 LYS HB3 4.000 . 5.000 3.213 2.083 4.069 . 0 0 "[ . 1 . 2 . ]" 1
437 1 24 VAL MG2 1 41 LYS HB2 4.000 . 5.000 2.012 1.694 2.851 0.106 22 0 "[ . 1 . 2 . ]" 1
438 1 25 GLY H 1 26 THR H 4.000 . 5.000 4.386 4.303 4.617 . 0 0 "[ . 1 . 2 . ]" 1
439 1 25 GLY HA3 1 26 THR H 2.500 . 2.700 2.718 2.474 2.826 0.126 9 0 "[ . 1 . 2 . ]" 1
440 1 25 GLY HA2 1 26 THR H 2.500 . 2.700 2.440 2.390 2.493 . 0 0 "[ . 1 . 2 . ]" 1
441 1 25 GLY H 1 38 TYR QB 5.000 . 6.000 5.278 4.621 6.024 0.024 11 0 "[ . 1 . 2 . ]" 1
442 1 25 GLY H 1 39 GLU H 3.000 . 4.000 4.003 3.746 4.104 0.104 8 0 "[ . 1 . 2 . ]" 1
443 1 25 GLY H 1 39 GLU HB3 4.000 . 5.000 3.909 1.824 5.137 0.137 22 0 "[ . 1 . 2 . ]" 1
444 1 25 GLY H 1 39 GLU HB2 4.000 . 5.000 3.924 1.812 5.171 0.171 24 0 "[ . 1 . 2 . ]" 1
445 1 25 GLY H 1 40 ILE HA 3.000 . 4.000 4.157 3.868 4.280 0.280 26 0 "[ . 1 . 2 . ]" 1
446 1 25 GLY H 1 40 ILE MG 5.000 . 6.000 4.548 4.130 5.102 . 0 0 "[ . 1 . 2 . ]" 1
447 1 25 GLY HA3 1 39 GLU H 4.000 . 5.000 2.915 2.356 3.309 . 0 0 "[ . 1 . 2 . ]" 1
448 1 25 GLY HA2 1 39 GLU H 4.000 . 5.000 4.423 3.933 4.701 . 0 0 "[ . 1 . 2 . ]" 1
449 1 26 THR H 1 27 PRO QD 4.000 . 5.000 4.405 4.317 4.471 . 0 0 "[ . 1 . 2 . ]" 1
450 1 26 THR HA 1 27 PRO HD3 2.500 . 2.700 2.241 2.022 2.505 . 0 0 "[ . 1 . 2 . ]" 1
451 1 26 THR HA 1 27 PRO HD2 2.500 . 2.700 2.618 2.266 2.808 0.108 29 0 "[ . 1 . 2 . ]" 1
452 1 26 THR HB 1 27 PRO HD3 4.000 . 5.000 4.104 3.124 4.557 . 0 0 "[ . 1 . 2 . ]" 1
453 1 26 THR HB 1 27 PRO HD2 4.000 . 5.000 3.228 1.874 3.794 . 0 0 "[ . 1 . 2 . ]" 1
454 1 26 THR MG 1 27 PRO QB 4.000 . 5.000 4.839 4.254 5.020 0.020 16 0 "[ . 1 . 2 . ]" 1
455 1 26 THR MG 1 27 PRO HD3 4.000 . 5.000 3.784 2.401 4.626 . 0 0 "[ . 1 . 2 . ]" 1
456 1 26 THR MG 1 27 PRO HD2 4.000 . 5.000 2.955 1.725 3.687 0.075 12 0 "[ . 1 . 2 . ]" 1
457 1 26 THR HA 1 38 TYR QE 4.000 . 5.000 3.949 2.894 5.098 0.098 18 0 "[ . 1 . 2 . ]" 1
458 1 26 THR HA 1 39 GLU H 5.000 . 6.000 4.519 4.202 4.776 . 0 0 "[ . 1 . 2 . ]" 1
459 1 27 PRO HA 1 28 GLU H 2.500 . 2.700 2.125 2.039 2.175 . 0 0 "[ . 1 . 2 . ]" 1
460 1 27 PRO HA 1 28 GLU QB 4.000 . 5.000 4.180 3.928 4.677 . 0 0 "[ . 1 . 2 . ]" 1
461 1 27 PRO HA 1 28 GLU QG 4.000 . 5.000 4.739 3.709 5.209 0.209 25 0 "[ . 1 . 2 . ]" 1
462 1 27 PRO HB3 1 28 GLU H 4.000 . 5.000 4.072 3.871 4.251 . 0 0 "[ . 1 . 2 . ]" 1
463 1 27 PRO HB2 1 28 GLU H 4.000 . 5.000 3.645 3.273 3.879 . 0 0 "[ . 1 . 2 . ]" 1
464 1 27 PRO HA 1 37 ARG H 4.000 . 5.000 3.734 3.219 4.343 . 0 0 "[ . 1 . 2 . ]" 1
465 1 27 PRO QB 1 36 GLN QB 4.000 . 5.000 3.206 2.328 3.815 . 0 0 "[ . 1 . 2 . ]" 1
466 1 27 PRO QB 1 36 GLN QG 4.000 . 5.000 4.159 3.437 4.816 . 0 0 "[ . 1 . 2 . ]" 1
467 1 27 PRO HG3 1 38 TYR QE 4.000 . 5.000 2.710 2.063 3.519 . 0 0 "[ . 1 . 2 . ]" 1
468 1 27 PRO HG2 1 38 TYR QE 4.000 . 5.000 4.071 3.645 4.757 . 0 0 "[ . 1 . 2 . ]" 1
469 1 28 GLU H 1 29 VAL H 4.000 . 5.000 4.397 4.253 4.644 . 0 0 "[ . 1 . 2 . ]" 1
470 1 28 GLU HA 1 29 VAL H 2.500 . 2.700 2.197 2.025 2.491 . 0 0 "[ . 1 . 2 . ]" 1
471 1 28 GLU HA 1 29 VAL HB 4.000 . 5.000 4.933 4.750 5.029 0.029 2 0 "[ . 1 . 2 . ]" 1
472 1 28 GLU HA 1 29 VAL MG2 4.000 . 5.000 3.385 3.155 3.633 . 0 0 "[ . 1 . 2 . ]" 1
473 1 28 GLU HB3 1 29 VAL H 4.000 . 5.000 3.843 2.625 4.507 . 0 0 "[ . 1 . 2 . ]" 1
474 1 28 GLU HB2 1 29 VAL H 4.000 . 5.000 4.185 2.375 4.629 . 0 0 "[ . 1 . 2 . ]" 1
475 1 28 GLU QB 1 29 VAL HA 4.000 . 5.000 4.321 3.774 4.757 . 0 0 "[ . 1 . 2 . ]" 1
476 1 28 GLU QB 1 29 VAL MG2 5.000 . 6.000 4.451 4.030 4.663 . 0 0 "[ . 1 . 2 . ]" 1
477 1 28 GLU QB 1 37 ARG H 4.000 . 5.000 3.398 2.515 4.098 . 0 0 "[ . 1 . 2 . ]" 1
478 1 28 GLU QG 1 29 VAL H 4.000 . 5.000 3.639 3.037 4.130 . 0 0 "[ . 1 . 2 . ]" 1
479 1 28 GLU QG 1 29 VAL HB 5.000 . 6.000 6.007 5.723 6.109 0.109 25 0 "[ . 1 . 2 . ]" 1
480 1 28 GLU QG 1 29 VAL MG2 5.000 . 6.000 4.694 4.044 5.052 . 0 0 "[ . 1 . 2 . ]" 1
481 1 28 GLU QB 1 30 ASN H 4.000 . 5.000 4.589 3.975 5.329 0.329 11 0 "[ . 1 . 2 . ]" 1
482 1 28 GLU H 1 36 GLN QB 4.000 . 5.000 3.591 3.197 3.831 . 0 0 "[ . 1 . 2 . ]" 1
483 1 28 GLU H 1 36 GLN QG 4.000 . 5.000 4.898 4.583 5.103 0.103 26 0 "[ . 1 . 2 . ]" 1
484 1 28 GLU H 1 37 ARG H 4.000 . 5.000 2.557 2.124 3.008 . 0 0 "[ . 1 . 2 . ]" 1
485 1 28 GLU H 1 37 ARG HA 4.000 . 5.000 4.558 4.264 5.007 0.007 22 0 "[ . 1 . 2 . ]" 1
486 1 28 GLU H 1 37 ARG QB 4.000 . 5.000 3.884 3.045 4.867 . 0 0 "[ . 1 . 2 . ]" 1
487 1 28 GLU H 1 37 ARG QG 4.000 . 5.000 3.844 2.486 5.057 0.057 3 0 "[ . 1 . 2 . ]" 1
488 1 28 GLU H 1 38 TYR H 5.000 . 6.000 4.821 4.459 5.302 . 0 0 "[ . 1 . 2 . ]" 1
489 1 28 GLU HA 1 36 GLN QB 4.000 . 5.000 4.901 4.584 5.031 0.031 5 0 "[ . 1 . 2 . ]" 1
490 1 28 GLU HA 1 37 ARG H 4.000 . 5.000 4.600 4.359 4.967 . 0 0 "[ . 1 . 2 . ]" 1
491 1 28 GLU QB 1 37 ARG QB 5.000 . 6.000 3.561 2.149 4.935 . 0 0 "[ . 1 . 2 . ]" 1
492 1 28 GLU QB 1 37 ARG QG 4.000 . 5.000 3.302 1.924 5.104 0.104 23 0 "[ . 1 . 2 . ]" 1
493 1 29 VAL H 1 30 ASN H 4.000 . 5.000 4.194 3.649 4.499 . 0 0 "[ . 1 . 2 . ]" 1
494 1 29 VAL HA 1 30 ASN H 2.500 . 2.700 2.309 2.170 2.358 . 0 0 "[ . 1 . 2 . ]" 1
495 1 29 VAL HB 1 30 ASN H 4.000 . 5.000 4.273 3.337 4.390 . 0 0 "[ . 1 . 2 . ]" 1
496 1 29 VAL MG1 1 30 ASN H 4.000 . 5.000 3.159 1.914 3.440 . 0 0 "[ . 1 . 2 . ]" 1
497 1 29 VAL MG2 1 30 ASN H 4.000 . 5.000 4.416 3.980 4.506 . 0 0 "[ . 1 . 2 . ]" 1
498 1 29 VAL HB 1 33 THR MG 4.000 . 5.000 5.130 5.046 5.467 0.467 3 0 "[ . 1 . 2 . ]" 1
499 1 29 VAL MG1 1 31 GLN H 4.000 . 5.000 4.986 4.768 5.063 0.063 7 0 "[ . 1 . 2 . ]" 1
500 1 29 VAL MG1 1 31 GLN HA 5.000 . 6.000 4.155 3.731 4.678 . 0 0 "[ . 1 . 2 . ]" 1
501 1 29 VAL MG1 1 31 GLN QE 4.000 . 5.000 3.219 2.923 3.476 . 0 0 "[ . 1 . 2 . ]" 1
502 1 29 VAL MG1 1 65 ALA HA 5.000 . 6.000 3.913 3.326 4.582 . 0 0 "[ . 1 . 2 . ]" 1
503 1 29 VAL MG2 1 31 GLN QE 4.000 . 5.000 4.910 4.486 5.073 0.073 3 0 "[ . 1 . 2 . ]" 1
504 1 29 VAL MG2 1 33 THR MG 4.000 . 5.000 4.947 4.821 5.185 0.185 11 0 "[ . 1 . 2 . ]" 1
505 1 29 VAL H 1 36 GLN QB 4.000 . 5.000 4.727 4.460 5.052 0.052 22 0 "[ . 1 . 2 . ]" 1
506 1 29 VAL H 1 36 GLN QG 4.000 . 5.000 4.043 3.706 4.987 . 0 0 "[ . 1 . 2 . ]" 1
507 1 29 VAL HA 1 36 GLN HA 4.000 . 5.000 3.111 2.641 3.832 . 0 0 "[ . 1 . 2 . ]" 1
508 1 29 VAL HA 1 36 GLN HB3 5.000 . 6.000 3.396 3.135 3.745 . 0 0 "[ . 1 . 2 . ]" 1
509 1 29 VAL HA 1 36 GLN HB2 5.000 . 6.000 4.469 4.285 4.841 . 0 0 "[ . 1 . 2 . ]" 1
510 1 29 VAL HA 1 36 GLN QG 4.000 . 5.000 1.822 1.687 2.774 0.113 17 0 "[ . 1 . 2 . ]" 1
511 1 29 VAL HA 1 37 ARG H 4.000 . 5.000 4.328 3.842 4.927 . 0 0 "[ . 1 . 2 . ]" 1
512 1 29 VAL MG1 1 35 TYR H 5.000 . 6.000 5.343 4.758 6.073 0.073 21 0 "[ . 1 . 2 . ]" 1
513 1 29 VAL MG1 1 36 GLN HA 5.000 . 6.000 4.176 3.560 4.823 . 0 0 "[ . 1 . 2 . ]" 1
514 1 29 VAL MG1 1 36 GLN QG 5.000 . 6.000 1.938 1.803 2.394 . 0 0 "[ . 1 . 2 . ]" 1
515 1 29 VAL MG1 1 65 ALA MB 4.000 . 5.000 2.319 1.909 2.766 . 0 0 "[ . 1 . 2 . ]" 1
516 1 29 VAL MG2 1 36 GLN QG 4.000 . 5.000 2.296 1.789 2.766 0.011 13 0 "[ . 1 . 2 . ]" 1
517 1 29 VAL MG2 1 36 GLN HA 4.000 . 5.000 4.400 3.934 5.052 0.052 22 0 "[ . 1 . 2 . ]" 1
518 1 30 ASN HA 1 31 GLN H 2.500 . 3.000 2.252 2.200 2.320 . 0 0 "[ . 1 . 2 . ]" 1
519 1 30 ASN HB3 1 31 GLN H 4.000 . 5.000 3.234 2.915 3.417 . 0 0 "[ . 1 . 2 . ]" 1
520 1 30 ASN HB2 1 31 GLN H 4.000 . 5.000 3.971 3.579 4.165 . 0 0 "[ . 1 . 2 . ]" 1
521 1 30 ASN QB 1 31 GLN HB2 4.000 . 5.000 5.101 4.927 5.179 0.179 24 0 "[ . 1 . 2 . ]" 1
522 1 30 ASN QB 1 31 GLN QG 4.000 . 5.000 4.827 4.697 5.016 0.016 12 0 "[ . 1 . 2 . ]" 1
523 1 30 ASN H 1 33 THR MG 4.000 . 5.000 1.966 1.674 2.794 0.126 3 0 "[ . 1 . 2 . ]" 1
524 1 30 ASN QB 1 32 THR H 4.000 . 5.000 2.398 1.980 2.588 . 0 0 "[ . 1 . 2 . ]" 1
525 1 30 ASN QB 1 33 THR H 4.000 . 5.000 2.652 1.745 3.561 0.055 21 0 "[ . 1 . 2 . ]" 1
526 1 30 ASN HB3 1 33 THR HA 4.000 . 5.000 3.654 3.456 3.875 . 0 0 "[ . 1 . 2 . ]" 1
527 1 30 ASN HB2 1 33 THR HA 4.000 . 5.000 4.732 4.372 5.020 0.020 29 0 "[ . 1 . 2 . ]" 1
528 1 30 ASN QB 1 33 THR HB 4.000 . 5.000 2.500 2.029 3.671 . 0 0 "[ . 1 . 2 . ]" 1
529 1 30 ASN QD 1 33 THR H 4.000 . 5.000 3.146 2.701 3.719 . 0 0 "[ . 1 . 2 . ]" 1
530 1 30 ASN QD 1 33 THR MG 4.000 . 5.000 3.050 2.338 3.330 . 0 0 "[ . 1 . 2 . ]" 1
531 1 30 ASN QD 1 34 LEU H 4.000 . 5.000 4.963 4.736 5.057 0.057 23 0 "[ . 1 . 2 . ]" 1
532 1 30 ASN H 1 35 TYR H 5.000 . 6.000 5.151 4.940 5.500 . 0 0 "[ . 1 . 2 . ]" 1
533 1 30 ASN H 1 36 GLN HA 4.000 . 5.000 3.647 3.288 4.972 . 0 0 "[ . 1 . 2 . ]" 1
534 1 30 ASN H 1 36 GLN QB 4.000 . 5.000 4.842 4.735 5.052 0.052 11 0 "[ . 1 . 2 . ]" 1
535 1 30 ASN H 1 36 GLN QG 4.000 . 5.000 3.481 2.992 4.282 . 0 0 "[ . 1 . 2 . ]" 1
536 1 30 ASN HB3 1 35 TYR H 4.000 . 5.000 4.797 4.578 5.164 0.164 7 0 "[ . 1 . 2 . ]" 1
537 1 30 ASN HB2 1 35 TYR H 5.000 . 6.000 5.577 5.252 6.012 0.012 11 0 "[ . 1 . 2 . ]" 1
538 1 30 ASN QB 1 36 GLN QB 5.000 . 6.000 6.111 6.046 6.203 0.203 3 0 "[ . 1 . 2 . ]" 1
539 1 31 GLN H 1 32 THR H 3.000 . 4.000 2.265 1.957 2.408 . 0 0 "[ . 1 . 2 . ]" 1
540 1 31 GLN HA 1 32 THR H 3.000 . 4.000 3.328 3.271 3.386 . 0 0 "[ . 1 . 2 . ]" 1
541 1 31 GLN HA 1 32 THR MG 5.000 . 6.000 5.965 5.897 6.046 0.046 6 0 "[ . 1 . 2 . ]" 1
542 1 31 GLN HB3 1 32 THR H 4.000 . 5.000 4.239 4.147 4.346 . 0 0 "[ . 1 . 2 . ]" 1
543 1 31 GLN HB2 1 32 THR H 4.000 . 5.000 3.309 3.090 3.523 . 0 0 "[ . 1 . 2 . ]" 1
544 1 31 GLN HB3 1 32 THR HA 4.000 . 5.000 4.929 4.790 5.026 0.026 29 0 "[ . 1 . 2 . ]" 1
545 1 31 GLN QG 1 32 THR H 4.000 . 5.000 4.116 3.867 4.282 . 0 0 "[ . 1 . 2 . ]" 1
546 1 31 GLN QG 1 32 THR HB 4.000 . 5.000 5.069 5.019 5.102 0.102 10 0 "[ . 1 . 2 . ]" 1
547 1 31 GLN QG 1 32 THR MG 5.000 . 6.000 6.024 5.998 6.057 0.057 7 0 "[ . 1 . 2 . ]" 1
548 1 31 GLN QE 1 32 THR H 4.000 . 5.000 4.780 4.527 4.933 . 0 0 "[ . 1 . 2 . ]" 1
549 1 31 GLN H 1 33 THR H 5.000 . 6.000 4.416 3.739 5.125 . 0 0 "[ . 1 . 2 . ]" 1
550 1 31 GLN H 1 34 LEU H 5.000 . 6.000 6.033 5.559 6.172 0.172 24 0 "[ . 1 . 2 . ]" 1
551 1 31 GLN HA 1 33 THR H 4.000 . 5.000 4.289 4.206 4.620 . 0 0 "[ . 1 . 2 . ]" 1
552 1 31 GLN HA 1 33 THR MG 5.000 . 6.000 4.123 3.744 5.456 . 0 0 "[ . 1 . 2 . ]" 1
553 1 31 GLN HA 1 34 LEU H 4.000 . 5.000 5.267 5.082 5.352 0.352 24 0 "[ . 1 . 2 . ]" 1
554 1 31 GLN QG 1 33 THR MG 5.000 . 6.000 5.186 4.933 5.914 . 0 0 "[ . 1 . 2 . ]" 1
555 1 32 THR H 1 33 THR H 2.500 . 3.000 2.557 2.170 3.226 0.226 29 0 "[ . 1 . 2 . ]" 1
556 1 32 THR HA 1 33 THR H 4.000 . 5.000 2.809 2.200 3.300 . 0 0 "[ . 1 . 2 . ]" 1
557 1 32 THR HA 1 33 THR MG 4.000 . 5.000 4.162 3.749 5.045 0.045 3 0 "[ . 1 . 2 . ]" 1
558 1 32 THR HB 1 33 THR H 4.000 . 5.000 4.253 3.845 4.455 . 0 0 "[ . 1 . 2 . ]" 1
559 1 32 THR HB 1 33 THR MG 4.000 . 5.000 4.788 4.259 4.972 . 0 0 "[ . 1 . 2 . ]" 1
560 1 32 THR MG 1 33 THR HA 4.000 . 5.000 3.642 3.188 3.754 . 0 0 "[ . 1 . 2 . ]" 1
561 1 32 THR MG 1 33 THR HB 4.000 . 5.000 5.064 4.971 5.281 0.281 11 0 "[ . 1 . 2 . ]" 1
562 1 32 THR H 1 34 LEU H 4.000 . 5.000 4.481 4.203 4.760 . 0 0 "[ . 1 . 2 . ]" 1
563 1 32 THR H 1 35 TYR H 5.000 . 6.000 6.114 5.993 6.244 0.244 6 0 "[ . 1 . 2 . ]" 1
564 1 33 THR H 1 34 LEU H 2.500 . 3.000 2.066 1.927 2.270 . 0 0 "[ . 1 . 2 . ]" 1
565 1 33 THR HA 1 34 LEU H 3.000 . 4.000 3.538 3.488 3.655 . 0 0 "[ . 1 . 2 . ]" 1
566 1 33 THR HB 1 34 LEU H 4.000 . 5.000 3.706 3.270 4.014 . 0 0 "[ . 1 . 2 . ]" 1
567 1 33 THR HB 1 34 LEU HB2 5.000 . 6.000 5.272 4.574 5.449 . 0 0 "[ . 1 . 2 . ]" 1
568 1 33 THR MG 1 34 LEU H 4.000 . 5.000 2.159 1.770 3.905 0.030 25 0 "[ . 1 . 2 . ]" 1
569 1 33 THR MG 1 34 LEU HB3 5.000 . 6.000 5.223 4.835 6.528 0.528 11 1 "[ . 1+ . 2 . ]" 1
570 1 33 THR MG 1 34 LEU MD2 4.000 . 5.000 4.919 4.755 5.247 0.247 21 0 "[ . 1 . 2 . ]" 1
571 1 33 THR H 1 35 TYR H 4.000 . 5.000 3.827 3.641 4.030 . 0 0 "[ . 1 . 2 . ]" 1
572 1 33 THR HA 1 35 TYR H 4.000 . 5.000 3.709 3.497 3.876 . 0 0 "[ . 1 . 2 . ]" 1
573 1 33 THR HA 1 35 TYR QD 4.000 . 5.000 4.754 3.432 5.022 0.022 21 0 "[ . 1 . 2 . ]" 1
574 1 33 THR HB 1 35 TYR H 4.000 . 5.000 3.172 2.054 3.410 . 0 0 "[ . 1 . 2 . ]" 1
575 1 33 THR HB 1 35 TYR QD 4.000 . 5.000 4.123 2.910 4.428 . 0 0 "[ . 1 . 2 . ]" 1
576 1 33 THR HB 1 35 TYR HB3 5.000 . 6.000 6.069 5.027 6.317 0.317 17 0 "[ . 1 . 2 . ]" 1
577 1 33 THR HB 1 35 TYR HB2 5.000 . 6.000 5.462 4.454 5.721 . 0 0 "[ . 1 . 2 . ]" 1
578 1 33 THR HB 1 35 TYR QE 4.000 . 5.000 4.239 3.845 4.507 . 0 0 "[ . 1 . 2 . ]" 1
579 1 33 THR MG 1 35 TYR H 4.000 . 5.000 2.307 1.841 3.824 . 0 0 "[ . 1 . 2 . ]" 1
580 1 33 THR MG 1 35 TYR QE 4.000 . 5.000 4.855 4.671 4.988 . 0 0 "[ . 1 . 2 . ]" 1
581 1 34 LEU H 1 34 LEU HA 2.200 . 2.500 2.332 2.161 2.363 . 0 0 "[ . 1 . 2 . ]" 1
582 1 34 LEU H 1 35 TYR H 2.500 . 3.000 2.319 2.093 2.810 . 0 0 "[ . 1 . 2 . ]" 1
583 1 34 LEU HA 1 35 TYR H 3.000 . 4.000 3.295 3.210 3.383 . 0 0 "[ . 1 . 2 . ]" 1
584 1 34 LEU HB2 1 35 TYR H 4.000 . 5.000 3.413 3.189 3.600 . 0 0 "[ . 1 . 2 . ]" 1
585 1 34 LEU HB3 1 35 TYR H 4.000 . 5.000 3.717 3.573 3.867 . 0 0 "[ . 1 . 2 . ]" 1
586 1 34 LEU HB2 1 35 TYR QE 4.000 . 5.000 3.029 2.719 4.073 . 0 0 "[ . 1 . 2 . ]" 1
587 1 34 LEU HB3 1 35 TYR QE 4.000 . 5.000 3.661 3.282 4.686 . 0 0 "[ . 1 . 2 . ]" 1
588 1 34 LEU HG 1 35 TYR H 4.000 . 5.000 5.024 4.975 5.125 0.125 11 0 "[ . 1 . 2 . ]" 1
589 1 34 LEU MD1 1 35 TYR H 4.000 . 5.000 5.106 5.027 5.193 0.193 27 0 "[ . 1 . 2 . ]" 1
590 1 34 LEU MD2 1 35 TYR H 4.000 . 5.000 4.483 4.062 4.615 . 0 0 "[ . 1 . 2 . ]" 1
591 1 34 LEU HA 1 65 ALA H 4.000 . 5.000 3.113 2.992 3.301 . 0 0 "[ . 1 . 2 . ]" 1
592 1 34 LEU HA 1 65 ALA HA 4.000 . 5.000 4.951 4.751 5.104 0.104 28 0 "[ . 1 . 2 . ]" 1
593 1 34 LEU HA 1 65 ALA MB 4.000 . 5.000 2.986 2.645 3.269 . 0 0 "[ . 1 . 2 . ]" 1
594 1 34 LEU HB2 1 65 ALA MB 4.000 . 5.000 4.857 4.689 5.009 0.009 2 0 "[ . 1 . 2 . ]" 1
595 1 34 LEU HB3 1 65 ALA MB 4.000 . 5.000 4.623 4.370 4.966 . 0 0 "[ . 1 . 2 . ]" 1
596 1 34 LEU HG 1 64 PRO QB 5.000 . 6.000 5.991 5.770 6.110 0.110 7 0 "[ . 1 . 2 . ]" 1
597 1 34 LEU MD2 1 64 PRO QB 5.000 . 6.000 3.808 3.483 4.684 . 0 0 "[ . 1 . 2 . ]" 1
598 1 34 LEU MD2 1 65 ALA HA 4.000 . 5.000 5.208 5.141 5.312 0.312 3 0 "[ . 1 . 2 . ]" 1
599 1 34 LEU MD2 1 65 ALA MB 4.000 . 5.000 3.956 3.633 4.245 . 0 0 "[ . 1 . 2 . ]" 1
600 1 34 LEU MD2 1 66 MET QG 4.000 . 5.000 2.192 1.770 3.909 0.030 26 0 "[ . 1 . 2 . ]" 1
601 1 35 TYR H 1 36 GLN H 4.000 . 5.000 4.419 4.374 4.518 . 0 0 "[ . 1 . 2 . ]" 1
602 1 35 TYR HA 1 36 GLN H 2.500 . 2.700 2.396 2.285 2.692 . 0 0 "[ . 1 . 2 . ]" 1
603 1 35 TYR HB3 1 36 GLN H 4.000 . 5.000 3.256 3.039 3.346 . 0 0 "[ . 1 . 2 . ]" 1
604 1 35 TYR HB2 1 36 GLN H 4.000 . 5.000 2.247 1.898 2.460 . 0 0 "[ . 1 . 2 . ]" 1
605 1 35 TYR H 1 65 ALA H 4.000 . 5.000 3.031 2.830 3.154 . 0 0 "[ . 1 . 2 . ]" 1
606 1 35 TYR H 1 64 PRO HA 4.000 . 5.000 3.854 3.673 4.010 . 0 0 "[ . 1 . 2 . ]" 1
607 1 35 TYR H 1 65 ALA HA 4.000 . 5.000 5.220 5.133 5.332 0.332 16 0 "[ . 1 . 2 . ]" 1
608 1 35 TYR HA 1 63 THR H 4.000 . 5.000 4.814 4.546 5.084 0.084 17 0 "[ . 1 . 2 . ]" 1
609 1 35 TYR HA 1 64 PRO HA 3.000 . 4.000 1.883 1.766 2.045 0.034 11 0 "[ . 1 . 2 . ]" 1
610 1 35 TYR HA 1 65 ALA H 3.000 . 4.000 1.740 1.691 1.784 0.109 9 0 "[ . 1 . 2 . ]" 1
611 1 35 TYR HA 1 65 ALA MB 4.000 . 5.000 2.577 2.341 2.812 . 0 0 "[ . 1 . 2 . ]" 1
612 1 35 TYR HB3 1 63 THR H 4.000 . 5.000 4.602 4.403 4.872 . 0 0 "[ . 1 . 2 . ]" 1
613 1 35 TYR HB2 1 63 THR H 4.000 . 5.000 3.642 3.396 3.835 . 0 0 "[ . 1 . 2 . ]" 1
614 1 35 TYR HB2 1 65 ALA H 4.000 . 5.000 4.209 4.097 4.306 . 0 0 "[ . 1 . 2 . ]" 1
615 1 35 TYR QD 1 62 TYR HB2 4.000 . 5.000 4.911 4.335 5.025 0.025 22 0 "[ . 1 . 2 . ]" 1
616 1 35 TYR QD 1 63 THR H 4.000 . 5.000 5.099 5.034 5.189 0.189 17 0 "[ . 1 . 2 . ]" 1
617 1 35 TYR QD 1 64 PRO HA 4.000 . 5.000 2.993 2.888 3.314 . 0 0 "[ . 1 . 2 . ]" 1
618 1 35 TYR QD 1 65 ALA H 5.000 . 6.000 3.793 3.660 4.261 . 0 0 "[ . 1 . 2 . ]" 1
619 1 35 TYR QE 1 64 PRO HA 4.000 . 5.000 5.231 5.158 5.318 0.318 24 0 "[ . 1 . 2 . ]" 1
620 1 36 GLN HA 1 37 ARG H 2.500 . 2.700 2.586 2.393 2.712 0.012 2 0 "[ . 1 . 2 . ]" 1
621 1 36 GLN QB 1 37 ARG H 4.000 . 5.000 2.213 1.873 2.690 . 0 0 "[ . 1 . 2 . ]" 1
622 1 36 GLN QB 1 37 ARG QG 4.000 . 5.000 4.508 3.764 5.095 0.095 3 0 "[ . 1 . 2 . ]" 1
623 1 36 GLN QG 1 37 ARG H 4.000 . 5.000 3.779 3.525 4.277 . 0 0 "[ . 1 . 2 . ]" 1
624 1 36 GLN QB 1 38 TYR QE 4.000 . 5.000 4.163 2.473 5.048 0.048 12 0 "[ . 1 . 2 . ]" 1
625 1 36 GLN QB 1 63 THR MG 4.000 . 5.000 2.561 2.240 2.972 . 0 0 "[ . 1 . 2 . ]" 1
626 1 36 GLN QB 1 63 THR HB 5.000 . 6.000 5.303 4.963 5.650 . 0 0 "[ . 1 . 2 . ]" 1
627 1 36 GLN QB 1 63 THR HA 5.000 . 6.000 5.571 5.303 5.813 . 0 0 "[ . 1 . 2 . ]" 1
628 1 36 GLN QB 1 65 ALA HA 4.000 . 5.000 4.417 4.050 4.739 . 0 0 "[ . 1 . 2 . ]" 1
629 1 36 GLN HB3 1 65 ALA MB 4.000 . 5.000 4.179 4.000 4.368 . 0 0 "[ . 1 . 2 . ]" 1
630 1 36 GLN HB2 1 65 ALA MB 4.000 . 5.000 3.638 3.353 3.970 . 0 0 "[ . 1 . 2 . ]" 1
631 1 36 GLN H 1 63 THR H 3.000 . 4.000 2.902 2.630 3.126 . 0 0 "[ . 1 . 2 . ]" 1
632 1 36 GLN H 1 63 THR HA 5.000 . 6.000 4.449 4.256 4.652 . 0 0 "[ . 1 . 2 . ]" 1
633 1 36 GLN H 1 64 PRO HA 3.000 . 4.000 3.739 3.509 4.011 0.011 6 0 "[ . 1 . 2 . ]" 1
634 1 36 GLN H 1 65 ALA H 4.000 . 5.000 4.050 3.912 4.422 . 0 0 "[ . 1 . 2 . ]" 1
635 1 36 GLN H 1 65 ALA MB 4.000 . 5.000 3.475 3.034 3.738 . 0 0 "[ . 1 . 2 . ]" 1
636 1 36 GLN QB 1 63 THR H 4.000 . 5.000 3.667 3.398 3.905 . 0 0 "[ . 1 . 2 . ]" 1
637 1 36 GLN QB 1 65 ALA H 4.000 . 5.000 5.208 5.115 5.330 0.330 7 0 "[ . 1 . 2 . ]" 1
638 1 36 GLN QB 1 65 ALA MB 4.000 . 5.000 3.423 3.197 3.683 . 0 0 "[ . 1 . 2 . ]" 1
639 1 36 GLN QG 1 64 PRO HA 4.000 . 5.000 5.084 4.986 5.173 0.173 10 0 "[ . 1 . 2 . ]" 1
640 1 37 ARG HA 1 38 TYR H 2.500 . 2.700 2.112 1.967 2.306 . 0 0 "[ . 1 . 2 . ]" 1
641 1 37 ARG QB 1 38 TYR H 4.000 . 5.000 3.100 2.437 3.664 . 0 0 "[ . 1 . 2 . ]" 1
642 1 37 ARG QG 1 38 TYR H 4.000 . 5.000 3.847 2.694 4.724 . 0 0 "[ . 1 . 2 . ]" 1
643 1 37 ARG QD 1 38 TYR H 4.000 . 5.000 4.761 3.564 5.105 0.105 14 0 "[ . 1 . 2 . ]" 1
644 1 37 ARG HA 1 62 TYR QE 4.000 . 5.000 4.958 4.752 5.079 0.079 2 0 "[ . 1 . 2 . ]" 1
645 1 37 ARG HA 1 63 THR H 3.000 . 4.000 3.607 3.296 3.907 . 0 0 "[ . 1 . 2 . ]" 1
646 1 37 ARG HA 1 63 THR MG 4.000 . 5.000 3.965 3.421 4.465 . 0 0 "[ . 1 . 2 . ]" 1
647 1 37 ARG QB 1 63 THR H 5.000 . 6.000 5.026 4.293 5.686 . 0 0 "[ . 1 . 2 . ]" 1
648 1 37 ARG QG 1 62 TYR QD 4.000 . 5.000 3.917 2.621 5.028 0.028 8 0 "[ . 1 . 2 . ]" 1
649 1 37 ARG QG 1 62 TYR QE 4.000 . 5.000 3.700 2.514 4.590 . 0 0 "[ . 1 . 2 . ]" 1
650 1 37 ARG QG 1 60 PHE HB3 4.000 . 5.000 4.057 2.375 5.036 0.036 7 0 "[ . 1 . 2 . ]" 1
651 1 37 ARG QG 1 60 PHE QD 4.000 . 5.000 4.373 2.304 5.060 0.060 26 0 "[ . 1 . 2 . ]" 1
652 1 37 ARG QD 1 60 PHE QB 4.000 . 5.000 3.578 1.959 5.064 0.064 1 0 "[ . 1 . 2 . ]" 1
653 1 37 ARG HD3 1 62 TYR QE 4.000 . 5.000 3.294 2.171 5.040 0.040 5 0 "[ . 1 . 2 . ]" 1
654 1 37 ARG HD2 1 62 TYR QE 4.000 . 5.000 3.501 2.298 4.739 . 0 0 "[ . 1 . 2 . ]" 1
655 1 38 TYR HA 1 39 GLU H 2.500 . 2.700 2.322 2.286 2.369 . 0 0 "[ . 1 . 2 . ]" 1
656 1 38 TYR QB 1 39 GLU H 4.000 . 5.000 2.841 2.657 3.031 . 0 0 "[ . 1 . 2 . ]" 1
657 1 38 TYR H 1 60 PHE HA 4.000 . 5.000 4.371 3.953 5.006 0.006 29 0 "[ . 1 . 2 . ]" 1
658 1 38 TYR H 1 60 PHE QD 4.000 . 5.000 4.394 3.686 5.159 0.159 29 0 "[ . 1 . 2 . ]" 1
659 1 38 TYR H 1 61 VAL H 3.000 . 4.000 2.762 2.393 3.226 . 0 0 "[ . 1 . 2 . ]" 1
660 1 38 TYR H 1 62 TYR HA 3.000 . 4.000 4.028 3.796 4.122 0.122 1 0 "[ . 1 . 2 . ]" 1
661 1 38 TYR HA 1 61 VAL H 4.000 . 5.000 4.675 4.492 4.840 . 0 0 "[ . 1 . 2 . ]" 1
662 1 38 TYR QB 1 61 VAL H 4.000 . 5.000 3.164 2.935 3.346 . 0 0 "[ . 1 . 2 . ]" 1
663 1 38 TYR QB 1 61 VAL HB 4.000 . 5.000 4.265 3.405 4.471 . 0 0 "[ . 1 . 2 . ]" 1
664 1 38 TYR HB3 1 61 VAL MG1 4.000 . 5.000 3.682 3.026 5.063 0.063 2 0 "[ . 1 . 2 . ]" 1
665 1 38 TYR HB2 1 61 VAL MG1 4.000 . 5.000 3.163 2.813 4.256 . 0 0 "[ . 1 . 2 . ]" 1
666 1 38 TYR HB3 1 61 VAL MG2 4.000 . 5.000 2.984 2.577 3.294 . 0 0 "[ . 1 . 2 . ]" 1
667 1 38 TYR QE 1 61 VAL MG1 5.000 . 6.000 6.021 5.796 6.144 0.144 7 0 "[ . 1 . 2 . ]" 1
668 1 38 TYR HB2 1 61 VAL MG2 4.000 . 5.000 1.755 1.705 1.840 0.095 10 0 "[ . 1 . 2 . ]" 1
669 1 38 TYR QD 1 61 VAL MG1 4.000 . 5.000 4.435 4.197 4.726 . 0 0 "[ . 1 . 2 . ]" 1
670 1 38 TYR QD 1 61 VAL MG2 4.000 . 5.000 2.557 2.218 2.816 . 0 0 "[ . 1 . 2 . ]" 1
671 1 38 TYR QD 1 63 THR MG 4.000 . 5.000 3.109 2.533 3.781 . 0 0 "[ . 1 . 2 . ]" 1
672 1 38 TYR QD 1 74 HIS H 4.000 . 5.000 5.046 4.209 5.247 0.247 12 0 "[ . 1 . 2 . ]" 1
673 1 38 TYR QD 1 74 HIS HE1 5.000 . 6.000 4.996 3.118 6.088 0.088 26 0 "[ . 1 . 2 . ]" 1
674 1 38 TYR QE 1 63 THR MG 4.000 . 5.000 3.200 1.781 4.308 0.019 14 0 "[ . 1 . 2 . ]" 1
675 1 38 TYR QE 1 72 TYR QD 4.000 . 5.000 3.242 1.845 4.028 . 0 0 "[ . 1 . 2 . ]" 1
676 1 38 TYR QE 1 72 TYR QE 4.000 . 5.000 4.908 3.897 5.057 0.057 10 0 "[ . 1 . 2 . ]" 1
677 1 38 TYR QE 1 73 PHE QB 5.000 . 6.000 5.911 4.663 6.122 0.122 27 0 "[ . 1 . 2 . ]" 1
678 1 38 TYR QE 1 74 HIS HB3 4.000 . 5.000 2.575 1.785 3.276 0.015 6 0 "[ . 1 . 2 . ]" 1
679 1 38 TYR QE 1 74 HIS HB2 4.000 . 5.000 3.736 2.728 4.332 . 0 0 "[ . 1 . 2 . ]" 1
680 1 38 TYR QE 1 74 HIS H 4.000 . 5.000 3.119 2.328 3.678 . 0 0 "[ . 1 . 2 . ]" 1
681 1 39 GLU HA 1 40 ILE H 2.500 . 2.700 2.260 2.174 2.335 . 0 0 "[ . 1 . 2 . ]" 1
682 1 39 GLU QB 1 40 ILE H 4.000 . 5.000 3.277 2.790 3.773 . 0 0 "[ . 1 . 2 . ]" 1
683 1 39 GLU QG 1 40 ILE H 4.000 . 5.000 3.515 2.264 4.459 . 0 0 "[ . 1 . 2 . ]" 1
684 1 39 GLU H 1 60 PHE QD 4.000 . 5.000 3.998 3.361 4.892 . 0 0 "[ . 1 . 2 . ]" 1
685 1 39 GLU H 1 60 PHE QE 4.000 . 5.000 4.807 4.119 5.083 0.083 25 0 "[ . 1 . 2 . ]" 1
686 1 39 GLU HA 1 60 PHE HA 2.500 . 3.000 2.687 2.397 2.887 . 0 0 "[ . 1 . 2 . ]" 1
687 1 39 GLU HA 1 60 PHE QD 4.000 . 5.000 2.465 1.817 3.447 . 0 0 "[ . 1 . 2 . ]" 1
688 1 39 GLU HA 1 61 VAL H 3.000 . 4.000 3.962 3.737 4.078 0.078 13 0 "[ . 1 . 2 . ]" 1
689 1 39 GLU QB 1 60 PHE QE 4.000 . 5.000 2.511 1.980 3.451 . 0 0 "[ . 1 . 2 . ]" 1
690 1 39 GLU QB 1 60 PHE HA 4.000 . 5.000 4.680 4.400 4.905 . 0 0 "[ . 1 . 2 . ]" 1
691 1 40 ILE H 1 41 LYS H 4.000 . 5.000 4.340 4.254 4.454 . 0 0 "[ . 1 . 2 . ]" 1
692 1 40 ILE HA 1 41 LYS H 2.500 . 2.700 2.228 2.068 2.518 . 0 0 "[ . 1 . 2 . ]" 1
693 1 40 ILE HB 1 41 LYS H 4.000 . 5.000 2.688 1.960 3.164 . 0 0 "[ . 1 . 2 . ]" 1
694 1 40 ILE QG 1 41 LYS H 4.000 . 5.000 4.075 3.550 4.390 . 0 0 "[ . 1 . 2 . ]" 1
695 1 40 ILE MD 1 41 LYS H 4.000 . 5.000 4.441 3.524 5.024 0.024 1 0 "[ . 1 . 2 . ]" 1
696 1 40 ILE MG 1 41 LYS H 4.000 . 5.000 3.409 2.982 3.743 . 0 0 "[ . 1 . 2 . ]" 1
697 1 40 ILE HA 1 42 MET H 4.000 . 5.000 4.976 4.849 5.132 0.132 20 0 "[ . 1 . 2 . ]" 1
698 1 40 ILE H 1 59 ARG HA 4.000 . 5.000 4.048 3.681 4.387 . 0 0 "[ . 1 . 2 . ]" 1
699 1 40 ILE H 1 60 PHE H 4.000 . 5.000 4.920 4.615 5.103 0.103 22 0 "[ . 1 . 2 . ]" 1
700 1 40 ILE H 1 60 PHE HA 3.000 . 4.000 3.253 2.824 3.490 . 0 0 "[ . 1 . 2 . ]" 1
701 1 40 ILE H 1 60 PHE QD 4.000 . 5.000 4.176 3.545 4.556 . 0 0 "[ . 1 . 2 . ]" 1
702 1 40 ILE H 1 60 PHE QE 4.000 . 5.000 4.674 4.237 4.999 . 0 0 "[ . 1 . 2 . ]" 1
703 1 40 ILE HB 1 59 ARG HA 4.000 . 5.000 5.102 4.761 5.279 0.279 27 0 "[ . 1 . 2 . ]" 1
704 1 40 ILE QG 1 59 ARG HA 4.000 . 5.000 2.815 2.311 3.264 . 0 0 "[ . 1 . 2 . ]" 1
705 1 40 ILE QG 1 60 PHE HA 4.000 . 5.000 2.733 2.226 3.755 . 0 0 "[ . 1 . 2 . ]" 1
706 1 40 ILE QG 1 60 PHE H 4.000 . 5.000 3.798 3.554 4.178 . 0 0 "[ . 1 . 2 . ]" 1
707 1 40 ILE QG 1 61 VAL H 4.000 . 5.000 3.672 3.079 4.906 . 0 0 "[ . 1 . 2 . ]" 1
708 1 40 ILE MD 1 58 ILE MG 4.000 . 5.000 2.722 1.751 4.009 0.049 18 0 "[ . 1 . 2 . ]" 1
709 1 40 ILE MD 1 59 ARG HA 4.000 . 5.000 3.116 2.410 3.481 . 0 0 "[ . 1 . 2 . ]" 1
710 1 40 ILE MD 1 60 PHE H 4.000 . 5.000 3.651 2.566 4.280 . 0 0 "[ . 1 . 2 . ]" 1
711 1 40 ILE MD 1 60 PHE HA 4.000 . 5.000 3.447 1.769 4.198 0.031 8 0 "[ . 1 . 2 . ]" 1
712 1 40 ILE MD 1 61 VAL H 4.000 . 5.000 4.025 2.458 4.702 . 0 0 "[ . 1 . 2 . ]" 1
713 1 40 ILE MD 1 61 VAL HB 4.000 . 5.000 4.419 3.920 4.979 . 0 0 "[ . 1 . 2 . ]" 1
714 1 40 ILE MD 1 61 VAL MG1 4.000 . 5.000 2.163 1.669 2.727 0.131 8 0 "[ . 1 . 2 . ]" 1
715 1 40 ILE MD 1 61 VAL MG2 4.000 . 5.000 4.156 2.689 4.969 . 0 0 "[ . 1 . 2 . ]" 1
716 1 40 ILE MD 1 94 LEU MD2 4.000 . 5.000 3.068 2.546 3.821 . 0 0 "[ . 1 . 2 . ]" 1
717 1 40 ILE MG 1 61 VAL MG1 4.000 . 5.000 2.358 1.887 3.719 . 0 0 "[ . 1 . 2 . ]" 1
718 1 40 ILE MG 1 61 VAL MG2 4.000 . 5.000 3.452 2.323 3.784 . 0 0 "[ . 1 . 2 . ]" 1
719 1 40 ILE MG 1 61 VAL HB 4.000 . 5.000 4.803 4.285 5.025 0.025 28 0 "[ . 1 . 2 . ]" 1
720 1 40 ILE MG 1 85 ILE MD 4.000 . 5.000 3.408 2.637 4.222 . 0 0 "[ . 1 . 2 . ]" 1
721 1 41 LYS H 1 42 MET H 4.000 . 5.000 3.814 3.487 4.009 . 0 0 "[ . 1 . 2 . ]" 1
722 1 41 LYS HA 1 42 MET H 2.500 . 2.700 2.324 2.244 2.422 . 0 0 "[ . 1 . 2 . ]" 1
723 1 41 LYS HA 1 42 MET HB2 4.000 . 5.000 4.754 4.311 5.015 0.015 18 0 "[ . 1 . 2 . ]" 1
724 1 41 LYS QB 1 42 MET H 4.000 . 5.000 3.971 3.869 4.100 . 0 0 "[ . 1 . 2 . ]" 1
725 1 41 LYS QG 1 42 MET H 4.000 . 5.000 4.131 3.724 4.843 . 0 0 "[ . 1 . 2 . ]" 1
726 1 41 LYS QE 1 42 MET HB3 5.000 . 6.000 5.440 4.245 6.010 0.010 15 0 "[ . 1 . 2 . ]" 1
727 1 41 LYS QB 1 43 THR H 5.000 . 6.000 5.267 4.669 5.725 . 0 0 "[ . 1 . 2 . ]" 1
728 1 42 MET HA 1 43 THR H 3.000 . 4.000 2.159 2.086 2.275 . 0 0 "[ . 1 . 2 . ]" 1
729 1 42 MET HB2 1 43 THR H 4.000 . 5.000 4.292 4.064 4.490 . 0 0 "[ . 1 . 2 . ]" 1
730 1 42 MET QG 1 43 THR H 4.000 . 5.000 2.868 2.398 3.944 . 0 0 "[ . 1 . 2 . ]" 1
731 1 42 MET HA 1 44 LYS H 4.000 . 5.000 4.482 4.198 4.648 . 0 0 "[ . 1 . 2 . ]" 1
732 1 42 MET QG 1 44 LYS H 4.000 . 5.000 3.553 3.105 4.620 . 0 0 "[ . 1 . 2 . ]" 1
733 1 42 MET HB3 1 59 ARG HA 5.000 . 6.000 4.043 2.893 5.523 . 0 0 "[ . 1 . 2 . ]" 1
734 1 42 MET HB2 1 59 ARG HA 5.000 . 6.000 3.023 2.205 4.216 . 0 0 "[ . 1 . 2 . ]" 1
735 1 43 THR H 1 44 LYS H 4.000 . 5.000 2.661 2.527 2.792 . 0 0 "[ . 1 . 2 . ]" 1
736 1 43 THR HA 1 44 LYS H 3.000 . 4.000 3.598 3.553 3.625 . 0 0 "[ . 1 . 2 . ]" 1
737 1 43 THR HB 1 44 LYS H 4.000 . 5.000 2.393 2.018 3.485 . 0 0 "[ . 1 . 2 . ]" 1
738 1 43 THR MG 1 44 LYS H 4.000 . 5.000 3.548 3.131 4.056 . 0 0 "[ . 1 . 2 . ]" 1
739 1 43 THR MG 1 82 GLU QG 4.000 . 5.000 2.979 1.853 4.626 . 0 0 "[ . 1 . 2 . ]" 1
740 1 44 LYS H 1 45 MET H 4.000 . 5.000 4.268 4.185 4.389 . 0 0 "[ . 1 . 2 . ]" 1
741 1 44 LYS HA 1 45 MET H 2.500 . 2.700 2.303 2.207 2.426 . 0 0 "[ . 1 . 2 . ]" 1
742 1 44 LYS QB 1 45 MET H 4.000 . 5.000 2.994 2.443 3.583 . 0 0 "[ . 1 . 2 . ]" 1
743 1 44 LYS QG 1 45 MET H 4.000 . 5.000 3.518 2.261 4.434 . 0 0 "[ . 1 . 2 . ]" 1
744 1 44 LYS QD 1 45 MET H 4.000 . 5.000 4.218 2.391 5.004 0.004 29 0 "[ . 1 . 2 . ]" 1
745 1 44 LYS QG 1 46 TYR H 4.000 . 5.000 4.119 3.892 4.380 . 0 0 "[ . 1 . 2 . ]" 1
746 1 45 MET HA 1 46 TYR H 2.500 . 2.700 2.252 2.182 2.324 . 0 0 "[ . 1 . 2 . ]" 1
747 1 45 MET QB 1 46 TYR H 4.000 . 5.000 3.087 2.880 3.665 . 0 0 "[ . 1 . 2 . ]" 1
748 1 45 MET QG 1 46 TYR H 4.000 . 5.000 3.836 2.586 4.174 . 0 0 "[ . 1 . 2 . ]" 1
749 1 45 MET HA 1 47 LYS H 4.000 . 5.000 3.859 3.592 4.220 . 0 0 "[ . 1 . 2 . ]" 1
750 1 45 MET QB 1 47 LYS H 4.000 . 5.000 3.106 2.573 4.702 . 0 0 "[ . 1 . 2 . ]" 1
751 1 45 MET QB 1 48 GLY H 4.000 . 5.000 4.892 4.497 5.147 0.147 15 0 "[ . 1 . 2 . ]" 1
752 1 45 MET QB 1 49 PHE HA 5.000 . 6.000 5.276 4.223 6.090 0.090 5 0 "[ . 1 . 2 . ]" 1
753 1 45 MET QB 1 49 PHE QD 4.000 . 5.000 4.340 3.216 5.036 0.036 1 0 "[ . 1 . 2 . ]" 1
754 1 45 MET QG 1 47 LYS H 4.000 . 5.000 3.890 1.776 4.765 0.024 25 0 "[ . 1 . 2 . ]" 1
755 1 45 MET QG 1 47 LYS QB 5.000 . 6.000 5.768 4.003 6.157 0.157 6 0 "[ . 1 . 2 . ]" 1
756 1 45 MET QG 1 49 PHE QD 4.000 . 5.000 3.992 2.707 5.048 0.048 29 0 "[ . 1 . 2 . ]" 1
757 1 46 TYR H 1 47 LYS H 3.000 . 4.000 2.242 2.082 2.494 . 0 0 "[ . 1 . 2 . ]" 1
758 1 46 TYR HA 1 47 LYS H 4.000 . 5.000 3.259 3.052 3.587 . 0 0 "[ . 1 . 2 . ]" 1
759 1 46 TYR HB3 1 47 LYS H 4.000 . 5.000 4.080 3.324 4.472 . 0 0 "[ . 1 . 2 . ]" 1
760 1 46 TYR HB2 1 47 LYS H 4.000 . 5.000 3.498 2.452 3.935 . 0 0 "[ . 1 . 2 . ]" 1
761 1 46 TYR HB3 1 47 LYS QB 4.000 . 5.000 3.877 3.640 4.281 . 0 0 "[ . 1 . 2 . ]" 1
762 1 46 TYR QD 1 47 LYS H 4.000 . 5.000 4.404 3.784 5.023 0.023 19 0 "[ . 1 . 2 . ]" 1
763 1 46 TYR QD 1 84 LEU MD1 5.000 . 6.000 5.646 4.495 6.072 0.072 2 0 "[ . 1 . 2 . ]" 1
764 1 46 TYR QD 1 84 LEU MD2 4.000 . 5.000 3.786 2.791 4.654 . 0 0 "[ . 1 . 2 . ]" 1
765 1 46 TYR QD 1 105 TRP HH2 4.000 . 5.000 3.571 3.119 4.511 . 0 0 "[ . 1 . 2 . ]" 1
766 1 46 TYR QD 1 105 TRP HZ2 4.000 . 5.000 5.051 4.867 5.134 0.134 15 0 "[ . 1 . 2 . ]" 1
767 1 46 TYR QD 1 116 PHE QB 4.000 . 5.000 2.574 1.796 3.839 0.004 4 0 "[ . 1 . 2 . ]" 1
768 1 46 TYR QD 1 117 THR H 4.000 . 5.000 3.599 2.432 5.064 0.064 5 0 "[ . 1 . 2 . ]" 1
769 1 46 TYR QD 1 117 THR HA 4.000 . 5.000 2.329 1.780 2.971 0.020 25 0 "[ . 1 . 2 . ]" 1
770 1 46 TYR QD 1 117 THR HB 4.000 . 5.000 3.827 3.243 4.839 . 0 0 "[ . 1 . 2 . ]" 1
771 1 46 TYR QD 1 117 THR MG 4.000 . 5.000 4.669 4.222 5.072 0.072 5 0 "[ . 1 . 2 . ]" 1
772 1 46 TYR QE 1 84 LEU MD2 4.000 . 5.000 4.125 3.504 4.962 . 0 0 "[ . 1 . 2 . ]" 1
773 1 46 TYR QE 1 105 TRP HH2 4.000 . 5.000 2.513 1.828 3.799 . 0 0 "[ . 1 . 2 . ]" 1
774 1 46 TYR QE 1 105 TRP HZ3 4.000 . 5.000 3.868 3.289 4.561 . 0 0 "[ . 1 . 2 . ]" 1
775 1 46 TYR QE 1 117 THR H 4.000 . 5.000 3.476 2.194 4.841 . 0 0 "[ . 1 . 2 . ]" 1
776 1 46 TYR QE 1 117 THR HA 4.000 . 5.000 2.947 2.046 3.605 . 0 0 "[ . 1 . 2 . ]" 1
777 1 46 TYR QE 1 117 THR MG 4.000 . 5.000 3.951 3.548 4.650 . 0 0 "[ . 1 . 2 . ]" 1
778 1 47 LYS H 1 48 GLY H 4.000 . 5.000 3.836 3.478 4.261 . 0 0 "[ . 1 . 2 . ]" 1
779 1 47 LYS HA 1 48 GLY H 3.000 . 4.000 2.162 2.099 2.237 . 0 0 "[ . 1 . 2 . ]" 1
780 1 47 LYS HA 1 48 GLY QA 4.000 . 5.000 3.938 3.897 3.972 . 0 0 "[ . 1 . 2 . ]" 1
781 1 47 LYS QB 1 48 GLY H 4.000 . 5.000 3.715 3.397 3.884 . 0 0 "[ . 1 . 2 . ]" 1
782 1 47 LYS QB 1 48 GLY QA 4.000 . 5.000 4.006 3.759 4.243 . 0 0 "[ . 1 . 2 . ]" 1
783 1 47 LYS HG3 1 48 GLY H 4.000 . 5.000 4.452 3.115 5.068 0.068 5 0 "[ . 1 . 2 . ]" 1
784 1 47 LYS HG2 1 48 GLY H 4.000 . 5.000 3.486 2.894 4.757 . 0 0 "[ . 1 . 2 . ]" 1
785 1 47 LYS HA 1 49 PHE H 4.000 . 5.000 3.447 3.288 3.589 . 0 0 "[ . 1 . 2 . ]" 1
786 1 47 LYS QB 1 49 PHE H 5.000 . 6.000 5.136 4.894 5.304 . 0 0 "[ . 1 . 2 . ]" 1
787 1 47 LYS QG 1 49 PHE H 5.000 . 6.000 4.753 4.164 5.398 . 0 0 "[ . 1 . 2 . ]" 1
788 1 47 LYS QG 1 49 PHE QD 5.000 . 6.000 4.989 3.931 6.029 0.029 10 0 "[ . 1 . 2 . ]" 1
789 1 48 GLY H 1 49 PHE H 3.000 . 4.000 1.731 1.635 1.928 0.165 11 0 "[ . 1 . 2 . ]" 1
790 1 48 GLY HA3 1 49 PHE H 4.000 . 5.000 3.263 3.135 3.376 . 0 0 "[ . 1 . 2 . ]" 1
791 1 48 GLY HA2 1 49 PHE H 4.000 . 5.000 3.331 3.213 3.425 . 0 0 "[ . 1 . 2 . ]" 1
792 1 48 GLY QA 1 49 PHE HA 4.000 . 5.000 4.159 4.054 4.293 . 0 0 "[ . 1 . 2 . ]" 1
793 1 48 GLY QA 1 49 PHE QD 4.000 . 5.000 4.476 3.992 5.033 0.033 10 0 "[ . 1 . 2 . ]" 1
794 1 48 GLY H 1 50 GLN H 4.000 . 5.000 3.598 2.686 4.234 . 0 0 "[ . 1 . 2 . ]" 1
795 1 48 GLY QA 1 50 GLN H 4.000 . 5.000 3.539 2.796 4.058 . 0 0 "[ . 1 . 2 . ]" 1
796 1 48 GLY QA 1 51 ALA H 4.000 . 5.000 3.068 2.838 3.253 . 0 0 "[ . 1 . 2 . ]" 1
797 1 48 GLY QA 1 51 ALA HA 4.000 . 5.000 5.122 5.014 5.243 0.243 3 0 "[ . 1 . 2 . ]" 1
798 1 48 GLY QA 1 51 ALA MB 4.000 . 5.000 2.809 2.614 3.015 . 0 0 "[ . 1 . 2 . ]" 1
799 1 48 GLY QA 1 52 LEU H 5.000 . 6.000 3.892 3.236 4.553 . 0 0 "[ . 1 . 2 . ]" 1
800 1 49 PHE H 1 50 GLN H 4.000 . 5.000 2.922 2.375 3.168 . 0 0 "[ . 1 . 2 . ]" 1
801 1 49 PHE HA 1 50 GLN H 3.000 . 4.000 3.445 3.061 3.682 . 0 0 "[ . 1 . 2 . ]" 1
802 1 49 PHE HA 1 50 GLN QG 5.000 . 6.000 5.263 4.566 6.107 0.107 26 0 "[ . 1 . 2 . ]" 1
803 1 49 PHE HB3 1 50 GLN H 4.000 . 5.000 3.816 3.098 4.498 . 0 0 "[ . 1 . 2 . ]" 1
804 1 49 PHE HB2 1 50 GLN H 3.000 . 4.000 2.893 2.170 3.832 . 0 0 "[ . 1 . 2 . ]" 1
805 1 49 PHE HB2 1 50 GLN QG 5.000 . 6.000 4.693 3.921 6.064 0.064 12 0 "[ . 1 . 2 . ]" 1
806 1 49 PHE QD 1 50 GLN H 4.000 . 5.000 4.158 3.586 4.669 . 0 0 "[ . 1 . 2 . ]" 1
807 1 49 PHE H 1 51 ALA H 5.000 . 6.000 4.216 3.944 4.593 . 0 0 "[ . 1 . 2 . ]" 1
808 1 49 PHE H 1 52 LEU H 4.000 . 5.000 4.545 4.130 5.110 0.110 15 0 "[ . 1 . 2 . ]" 1
809 1 49 PHE HA 1 51 ALA H 4.000 . 5.000 4.165 3.722 4.700 . 0 0 "[ . 1 . 2 . ]" 1
810 1 49 PHE HA 1 52 LEU H 4.000 . 5.000 3.123 2.839 3.547 . 0 0 "[ . 1 . 2 . ]" 1
811 1 49 PHE HA 1 52 LEU QB 5.000 . 6.000 3.358 1.722 5.606 0.078 22 0 "[ . 1 . 2 . ]" 1
812 1 49 PHE HA 1 52 LEU HG 5.000 . 6.000 4.308 1.675 6.115 0.125 24 0 "[ . 1 . 2 . ]" 1
813 1 49 PHE QB 1 52 LEU HA 5.000 . 6.000 6.037 5.764 6.347 0.347 24 0 "[ . 1 . 2 . ]" 1
814 1 49 PHE HB2 1 52 LEU MD1 5.000 . 6.000 5.325 3.610 6.142 0.142 20 0 "[ . 1 . 2 . ]" 1
815 1 50 GLN H 1 51 ALA H 3.000 . 4.000 2.493 1.846 2.813 . 0 0 "[ . 1 . 2 . ]" 1
816 1 50 GLN HA 1 51 ALA H 3.000 . 4.000 3.492 3.400 3.579 . 0 0 "[ . 1 . 2 . ]" 1
817 1 50 GLN HA 1 51 ALA MB 4.000 . 5.000 4.981 4.926 5.035 0.035 20 0 "[ . 1 . 2 . ]" 1
818 1 50 GLN HB3 1 51 ALA H 4.000 . 5.000 3.794 2.270 4.230 . 0 0 "[ . 1 . 2 . ]" 1
819 1 50 GLN HB2 1 51 ALA H 4.000 . 5.000 3.668 2.359 4.240 . 0 0 "[ . 1 . 2 . ]" 1
820 1 50 GLN QB 1 51 ALA HA 4.000 . 5.000 4.329 3.665 4.929 . 0 0 "[ . 1 . 2 . ]" 1
821 1 50 GLN QB 1 51 ALA MB 4.000 . 5.000 4.281 3.379 4.622 . 0 0 "[ . 1 . 2 . ]" 1
822 1 50 GLN QG 1 51 ALA H 4.000 . 5.000 2.549 1.703 4.497 0.097 23 0 "[ . 1 . 2 . ]" 1
823 1 50 GLN QG 1 51 ALA HA 4.000 . 5.000 4.071 2.914 5.066 0.066 25 0 "[ . 1 . 2 . ]" 1
824 1 50 GLN QB 1 52 LEU H 5.000 . 6.000 4.951 4.279 5.419 . 0 0 "[ . 1 . 2 . ]" 1
825 1 51 ALA HA 1 52 LEU H 3.000 . 4.000 3.467 3.278 3.646 . 0 0 "[ . 1 . 2 . ]" 1
826 1 51 ALA H 1 52 LEU H 3.000 . 4.000 2.443 2.034 2.958 . 0 0 "[ . 1 . 2 . ]" 1
827 1 51 ALA MB 1 52 LEU H 4.000 . 5.000 2.722 2.101 3.359 . 0 0 "[ . 1 . 2 . ]" 1
828 1 51 ALA H 1 53 GLY H 5.000 . 6.000 5.446 4.693 6.111 0.111 15 0 "[ . 1 . 2 . ]" 1
829 1 51 ALA MB 1 53 GLY H 4.000 . 5.000 4.601 3.866 5.321 0.321 19 0 "[ . 1 . 2 . ]" 1
830 1 51 ALA MB 1 53 GLY QA 5.000 . 6.000 5.331 4.782 5.886 . 0 0 "[ . 1 . 2 . ]" 1
831 1 51 ALA MB 1 89 LEU MD1 3.000 . 4.000 2.124 1.758 2.882 0.042 27 0 "[ . 1 . 2 . ]" 1
832 1 51 ALA MB 1 89 LEU MD2 4.000 . 5.000 4.263 3.747 5.031 0.031 29 0 "[ . 1 . 2 . ]" 1
833 1 52 LEU H 1 53 GLY H 2.500 . 3.300 3.398 2.575 3.712 0.412 13 0 "[ . 1 . 2 . ]" 1
834 1 52 LEU HA 1 53 GLY H 3.000 . 4.000 2.982 2.039 3.580 . 0 0 "[ . 1 . 2 . ]" 1
835 1 52 LEU QB 1 53 GLY H 4.000 . 5.000 2.755 1.682 4.000 0.118 12 0 "[ . 1 . 2 . ]" 1
836 1 52 LEU HG 1 53 GLY H 4.000 . 5.000 3.927 2.127 5.027 0.027 22 0 "[ . 1 . 2 . ]" 1
837 1 52 LEU QD 1 53 GLY H 4.000 . 5.000 2.973 1.729 4.267 0.071 15 0 "[ . 1 . 2 . ]" 1
838 1 52 LEU HA 1 54 ASP H 4.000 . 5.000 4.258 2.909 5.058 0.058 29 0 "[ . 1 . 2 . ]" 1
839 1 52 LEU QB 1 54 ASP H 4.000 . 5.000 3.723 2.317 5.074 0.074 27 0 "[ . 1 . 2 . ]" 1
840 1 52 LEU HA 1 57 ASP QB 5.000 . 6.000 4.128 1.704 6.207 0.207 14 0 "[ . 1 . 2 . ]" 1
841 1 53 GLY H 1 54 ASP H 3.000 . 4.000 2.734 1.792 3.933 0.008 9 0 "[ . 1 . 2 . ]" 1
842 1 53 GLY HA3 1 54 ASP H 4.000 . 5.000 2.884 2.157 3.555 . 0 0 "[ . 1 . 2 . ]" 1
843 1 53 GLY HA2 1 54 ASP H 4.000 . 5.000 3.277 2.633 3.536 . 0 0 "[ . 1 . 2 . ]" 1
844 1 53 GLY H 1 55 ALA H 4.000 . 5.000 5.000 3.868 5.300 0.300 18 0 "[ . 1 . 2 . ]" 1
845 1 53 GLY H 1 56 ALA H 5.000 . 6.000 5.897 3.358 6.214 0.214 4 0 "[ . 1 . 2 . ]" 1
846 1 53 GLY QA 1 55 ALA H 4.000 . 5.000 4.616 2.943 5.324 0.324 24 0 "[ . 1 . 2 . ]" 1
847 1 53 GLY QA 1 55 ALA MB 5.000 . 6.000 5.715 3.607 6.246 0.246 22 0 "[ . 1 . 2 . ]" 1
848 1 53 GLY QA 1 57 ASP QB 4.000 . 5.000 4.148 2.145 5.195 0.195 9 0 "[ . 1 . 2 . ]" 1
849 1 54 ASP H 1 55 ALA H 3.000 . 4.000 2.954 1.847 4.185 0.185 12 0 "[ . 1 . 2 . ]" 1
850 1 54 ASP HA 1 55 ALA H 3.000 . 4.000 3.178 2.025 3.552 . 0 0 "[ . 1 . 2 . ]" 1
851 1 54 ASP HA 1 55 ALA MB 4.000 . 5.000 4.247 3.776 4.998 . 0 0 "[ . 1 . 2 . ]" 1
852 1 54 ASP QB 1 55 ALA H 4.000 . 5.000 2.530 1.713 3.902 0.087 22 0 "[ . 1 . 2 . ]" 1
853 1 54 ASP H 1 56 ALA H 4.000 . 5.000 4.220 2.991 5.105 0.105 19 0 "[ . 1 . 2 . ]" 1
854 1 54 ASP H 1 57 ASP H 4.000 . 5.000 4.895 4.438 5.163 0.163 18 0 "[ . 1 . 2 . ]" 1
855 1 54 ASP HA 1 56 ALA H 4.000 . 5.000 4.817 3.521 5.264 0.264 23 0 "[ . 1 . 2 . ]" 1
856 1 54 ASP QB 1 56 ALA H 5.000 . 6.000 3.364 2.646 5.723 . 0 0 "[ . 1 . 2 . ]" 1
857 1 55 ALA H 1 56 ALA H 3.000 . 4.000 2.165 1.700 3.199 0.100 22 0 "[ . 1 . 2 . ]" 1
858 1 55 ALA HA 1 56 ALA H 3.000 . 4.000 3.462 3.212 3.576 . 0 0 "[ . 1 . 2 . ]" 1
859 1 55 ALA HA 1 56 ALA HA 4.000 . 5.000 4.555 4.458 4.636 . 0 0 "[ . 1 . 2 . ]" 1
860 1 55 ALA HA 1 56 ALA MB 4.000 . 5.000 4.803 4.556 4.932 . 0 0 "[ . 1 . 2 . ]" 1
861 1 55 ALA MB 1 56 ALA H 4.000 . 5.000 2.746 2.163 3.458 . 0 0 "[ . 1 . 2 . ]" 1
862 1 55 ALA MB 1 57 ASP H 4.000 . 5.000 4.819 4.016 5.208 0.208 10 0 "[ . 1 . 2 . ]" 1
863 1 55 ALA MB 1 57 ASP QB 5.000 . 6.000 5.663 4.925 6.078 0.078 20 0 "[ . 1 . 2 . ]" 1
864 1 56 ALA H 1 57 ASP H 3.000 . 4.000 3.287 1.927 3.893 . 0 0 "[ . 1 . 2 . ]" 1
865 1 56 ALA HA 1 57 ASP H 3.000 . 4.000 2.557 2.200 3.458 . 0 0 "[ . 1 . 2 . ]" 1
866 1 56 ALA MB 1 57 ASP H 4.000 . 5.000 3.605 2.951 3.744 . 0 0 "[ . 1 . 2 . ]" 1
867 1 56 ALA HA 1 58 ILE MD 4.000 . 5.000 4.330 3.260 5.238 0.238 17 0 "[ . 1 . 2 . ]" 1
868 1 56 ALA HA 1 58 ILE QG 4.000 . 5.000 5.032 4.291 5.418 0.418 25 0 "[ . 1 . 2 . ]" 1
869 1 56 ALA HA 1 59 ARG QB 5.000 . 6.000 6.019 5.699 6.219 0.219 14 0 "[ . 1 . 2 . ]" 1
870 1 56 ALA HA 1 59 ARG QD 4.000 . 5.000 4.630 3.790 5.054 0.054 6 0 "[ . 1 . 2 . ]" 1
871 1 56 ALA MB 1 58 ILE MD 4.000 . 5.000 4.956 4.091 5.263 0.263 29 0 "[ . 1 . 2 . ]" 1
872 1 57 ASP H 1 58 ILE H 3.000 . 4.000 2.717 2.109 4.368 0.368 14 0 "[ . 1 . 2 . ]" 1
873 1 57 ASP HA 1 58 ILE H 3.000 . 4.000 3.155 2.093 3.543 . 0 0 "[ . 1 . 2 . ]" 1
874 1 57 ASP HA 1 58 ILE HA 4.000 . 5.000 4.461 4.249 4.658 . 0 0 "[ . 1 . 2 . ]" 1
875 1 57 ASP HA 1 58 ILE QG 4.000 . 5.000 4.191 3.705 5.043 0.043 23 0 "[ . 1 . 2 . ]" 1
876 1 57 ASP HA 1 58 ILE MD 4.000 . 5.000 4.403 2.126 4.988 . 0 0 "[ . 1 . 2 . ]" 1
877 1 57 ASP HA 1 58 ILE MG 5.000 . 6.000 5.736 5.339 5.908 . 0 0 "[ . 1 . 2 . ]" 1
878 1 57 ASP QB 1 58 ILE H 4.000 . 5.000 3.562 2.101 4.040 . 0 0 "[ . 1 . 2 . ]" 1
879 1 57 ASP H 1 59 ARG QG 4.000 . 5.000 4.809 4.381 5.022 0.022 27 0 "[ . 1 . 2 . ]" 1
880 1 58 ILE H 1 59 ARG H 4.000 . 5.000 3.758 3.279 4.400 . 0 0 "[ . 1 . 2 . ]" 1
881 1 58 ILE HA 1 59 ARG H 3.000 . 4.000 2.347 2.021 2.566 . 0 0 "[ . 1 . 2 . ]" 1
882 1 58 ILE HA 1 59 ARG HG3 4.000 . 5.000 4.414 3.582 5.047 0.047 28 0 "[ . 1 . 2 . ]" 1
883 1 58 ILE HA 1 59 ARG HG2 4.000 . 5.000 4.552 3.663 5.292 0.292 6 0 "[ . 1 . 2 . ]" 1
884 1 58 ILE HA 1 59 ARG QD 5.000 . 6.000 5.675 3.016 6.111 0.111 19 0 "[ . 1 . 2 . ]" 1
885 1 58 ILE HB 1 59 ARG H 4.000 . 5.000 4.241 3.720 4.607 . 0 0 "[ . 1 . 2 . ]" 1
886 1 58 ILE QG 1 59 ARG H 4.000 . 5.000 4.609 3.738 5.093 0.093 15 0 "[ . 1 . 2 . ]" 1
887 1 58 ILE MD 1 59 ARG H 5.000 . 6.000 5.026 3.103 5.493 . 0 0 "[ . 1 . 2 . ]" 1
888 1 58 ILE MG 1 59 ARG H 4.000 . 5.000 3.281 2.223 3.724 . 0 0 "[ . 1 . 2 . ]" 1
889 1 58 ILE MG 1 59 ARG HA 4.000 . 5.000 3.976 3.618 4.286 . 0 0 "[ . 1 . 2 . ]" 1
890 1 58 ILE HA 1 60 PHE H 4.000 . 5.000 3.573 3.314 4.000 . 0 0 "[ . 1 . 2 . ]" 1
891 1 58 ILE MG 1 60 PHE HA 4.000 . 5.000 4.942 4.255 5.119 0.119 8 0 "[ . 1 . 2 . ]" 1
892 1 58 ILE MG 1 60 PHE H 4.000 . 5.000 3.410 2.686 3.776 . 0 0 "[ . 1 . 2 . ]" 1
893 1 58 ILE HB 1 94 LEU QB 5.000 . 6.000 4.966 3.909 5.900 . 0 0 "[ . 1 . 2 . ]" 1
894 1 58 ILE MG 1 94 LEU HA 4.000 . 5.000 4.329 3.756 5.108 0.108 19 0 "[ . 1 . 2 . ]" 1
895 1 58 ILE MG 1 94 LEU HB3 4.000 . 5.000 3.289 2.419 4.324 . 0 0 "[ . 1 . 2 . ]" 1
896 1 58 ILE MG 1 94 LEU HB2 4.000 . 5.000 2.416 1.801 3.497 . 0 0 "[ . 1 . 2 . ]" 1
897 1 58 ILE MG 1 94 LEU H 5.000 . 6.000 4.226 3.455 5.169 . 0 0 "[ . 1 . 2 . ]" 1
898 1 59 ARG H 1 60 PHE H 3.000 . 4.000 2.094 1.747 2.511 0.053 19 0 "[ . 1 . 2 . ]" 1
899 1 59 ARG HA 1 60 PHE H 4.000 . 5.000 3.344 3.227 3.476 . 0 0 "[ . 1 . 2 . ]" 1
900 1 59 ARG QB 1 60 PHE H 4.000 . 5.000 3.222 2.818 3.662 . 0 0 "[ . 1 . 2 . ]" 1
901 1 59 ARG QB 1 60 PHE QD 4.000 . 5.000 2.343 1.901 3.283 . 0 0 "[ . 1 . 2 . ]" 1
902 1 59 ARG QB 1 60 PHE QE 4.000 . 5.000 2.602 2.208 3.032 . 0 0 "[ . 1 . 2 . ]" 1
903 1 59 ARG HG3 1 60 PHE H 4.000 . 5.000 4.490 3.576 5.016 0.016 29 0 "[ . 1 . 2 . ]" 1
904 1 59 ARG HG2 1 60 PHE H 4.000 . 5.000 4.723 3.760 5.123 0.123 14 0 "[ . 1 . 2 . ]" 1
905 1 59 ARG QG 1 60 PHE QE 4.000 . 5.000 4.099 2.482 4.964 . 0 0 "[ . 1 . 2 . ]" 1
906 1 59 ARG QD 1 60 PHE H 5.000 . 6.000 5.376 2.889 5.892 . 0 0 "[ . 1 . 2 . ]" 1
907 1 59 ARG QD 1 60 PHE QD 4.000 . 5.000 4.456 2.569 5.003 0.003 9 0 "[ . 1 . 2 . ]" 1
908 1 59 ARG QD 1 60 PHE QE 4.000 . 5.000 3.819 2.765 4.568 . 0 0 "[ . 1 . 2 . ]" 1
909 1 60 PHE HA 1 61 VAL H 2.500 . 2.700 2.110 2.038 2.213 . 0 0 "[ . 1 . 2 . ]" 1
910 1 60 PHE H 1 61 VAL H 3.000 . 4.000 4.207 4.175 4.235 0.235 17 0 "[ . 1 . 2 . ]" 1
911 1 60 PHE HB3 1 61 VAL H 4.000 . 5.000 2.765 2.509 2.997 . 0 0 "[ . 1 . 2 . ]" 1
912 1 60 PHE HB2 1 61 VAL H 4.000 . 5.000 3.783 3.603 4.024 . 0 0 "[ . 1 . 2 . ]" 1
913 1 60 PHE QD 1 61 VAL H 4.000 . 5.000 4.045 3.877 4.182 . 0 0 "[ . 1 . 2 . ]" 1
914 1 60 PHE HA 1 61 VAL HB 4.000 . 5.000 5.305 5.258 5.348 0.348 2 0 "[ . 1 . 2 . ]" 1
915 1 60 PHE HA 1 61 VAL MG1 4.000 . 5.000 2.936 2.727 4.159 . 0 0 "[ . 1 . 2 . ]" 1
916 1 60 PHE HA 1 61 VAL MG2 4.000 . 5.000 4.155 3.049 4.316 . 0 0 "[ . 1 . 2 . ]" 1
917 1 60 PHE HA 1 62 TYR QD 4.000 . 5.000 5.086 5.047 5.143 0.143 17 0 "[ . 1 . 2 . ]" 1
918 1 60 PHE HA 1 62 TYR QE 4.000 . 5.000 4.420 4.139 4.611 . 0 0 "[ . 1 . 2 . ]" 1
919 1 60 PHE HB3 1 62 TYR QE 4.000 . 5.000 3.007 2.522 3.552 . 0 0 "[ . 1 . 2 . ]" 1
920 1 60 PHE HB2 1 62 TYR QE 4.000 . 5.000 2.041 1.758 2.476 0.042 29 0 "[ . 1 . 2 . ]" 1
921 1 60 PHE QD 1 62 TYR QE 4.000 . 5.000 3.933 3.463 4.401 . 0 0 "[ . 1 . 2 . ]" 1
922 1 61 VAL HA 1 62 TYR H 2.500 . 2.700 2.159 2.117 2.201 . 0 0 "[ . 1 . 2 . ]" 1
923 1 61 VAL HA 1 62 TYR QD 4.000 . 5.000 2.665 2.537 2.806 . 0 0 "[ . 1 . 2 . ]" 1
924 1 61 VAL HB 1 62 TYR H 4.000 . 5.000 3.472 3.357 3.559 . 0 0 "[ . 1 . 2 . ]" 1
925 1 61 VAL MG1 1 62 TYR H 4.000 . 5.000 4.272 3.604 4.344 . 0 0 "[ . 1 . 2 . ]" 1
926 1 61 VAL MG2 1 62 TYR H 4.000 . 5.000 3.754 3.652 4.358 . 0 0 "[ . 1 . 2 . ]" 1
927 1 61 VAL MG1 1 63 THR H 5.000 . 6.000 6.084 5.819 6.179 0.179 25 0 "[ . 1 . 2 . ]" 1
928 1 61 VAL HA 1 94 LEU H 3.000 . 4.000 4.002 3.733 4.114 0.114 22 0 "[ . 1 . 2 . ]" 1
929 1 61 VAL HA 1 94 LEU QB 4.000 . 5.000 2.145 1.753 2.723 0.047 27 0 "[ . 1 . 2 . ]" 1
930 1 61 VAL HB 1 94 LEU MD2 4.000 . 5.000 2.904 2.095 4.861 . 0 0 "[ . 1 . 2 . ]" 1
931 1 61 VAL MG1 1 85 ILE MD 4.000 . 5.000 3.235 2.654 3.993 . 0 0 "[ . 1 . 2 . ]" 1
932 1 61 VAL MG1 1 94 LEU QB 4.000 . 5.000 3.423 2.700 3.733 . 0 0 "[ . 1 . 2 . ]" 1
933 1 61 VAL MG1 1 94 LEU HG 4.000 . 5.000 3.814 1.830 4.242 . 0 0 "[ . 1 . 2 . ]" 1
934 1 61 VAL MG1 1 96 ILE MD 4.000 . 5.000 2.835 2.353 3.976 . 0 0 "[ . 1 . 2 . ]" 1
935 1 61 VAL MG2 1 85 ILE MD 4.000 . 5.000 4.628 3.673 5.002 0.002 9 0 "[ . 1 . 2 . ]" 1
936 1 61 VAL MG2 1 94 LEU QB 4.000 . 5.000 4.693 4.378 5.061 0.061 5 0 "[ . 1 . 2 . ]" 1
937 1 61 VAL MG2 1 94 LEU HG 4.000 . 5.000 4.837 4.421 5.026 0.026 26 0 "[ . 1 . 2 . ]" 1
938 1 61 VAL MG2 1 95 HIS HA 4.000 . 5.000 4.963 4.782 5.201 0.201 2 0 "[ . 1 . 2 . ]" 1
939 1 61 VAL MG2 1 96 ILE HB 4.000 . 5.000 4.518 3.705 5.033 0.033 26 0 "[ . 1 . 2 . ]" 1
940 1 61 VAL MG2 1 96 ILE QG 4.000 . 5.000 2.503 1.994 2.895 . 0 0 "[ . 1 . 2 . ]" 1
941 1 61 VAL MG2 1 96 ILE MD 4.000 . 5.000 2.366 1.747 3.143 0.053 14 0 "[ . 1 . 2 . ]" 1
942 1 62 TYR H 1 63 THR H 3.000 . 4.000 4.184 4.141 4.264 0.264 2 0 "[ . 1 . 2 . ]" 1
943 1 62 TYR HA 1 63 THR H 2.500 . 2.700 2.077 2.023 2.128 . 0 0 "[ . 1 . 2 . ]" 1
944 1 62 TYR HB3 1 63 THR H 3.000 . 4.000 3.660 3.570 3.732 . 0 0 "[ . 1 . 2 . ]" 1
945 1 62 TYR HB2 1 63 THR H 4.000 . 5.000 4.338 4.294 4.372 . 0 0 "[ . 1 . 2 . ]" 1
946 1 62 TYR QD 1 63 THR H 4.000 . 5.000 4.723 4.628 4.782 . 0 0 "[ . 1 . 2 . ]" 1
947 1 62 TYR HB2 1 93 LEU HB3 4.000 . 5.000 3.360 2.899 4.177 . 0 0 "[ . 1 . 2 . ]" 1
948 1 62 TYR HB2 1 93 LEU HB2 4.000 . 5.000 3.640 3.205 4.026 . 0 0 "[ . 1 . 2 . ]" 1
949 1 62 TYR H 1 93 LEU HB3 5.000 . 6.000 4.261 3.965 4.703 . 0 0 "[ . 1 . 2 . ]" 1
950 1 62 TYR H 1 94 LEU H 3.000 . 4.000 3.935 3.719 4.188 0.188 19 0 "[ . 1 . 2 . ]" 1
951 1 62 TYR H 1 94 LEU QB 5.000 . 6.000 3.020 2.616 3.812 . 0 0 "[ . 1 . 2 . ]" 1
952 1 62 TYR H 1 94 LEU HG 5.000 . 6.000 3.714 3.312 4.529 . 0 0 "[ . 1 . 2 . ]" 1
953 1 62 TYR H 1 95 HIS HA 3.000 . 4.000 2.829 2.436 3.080 . 0 0 "[ . 1 . 2 . ]" 1
954 1 62 TYR HA 1 95 HIS QB 5.000 . 6.000 6.063 5.654 6.148 0.148 27 0 "[ . 1 . 2 . ]" 1
955 1 62 TYR QD 1 93 LEU HB3 4.000 . 5.000 2.838 2.567 3.254 . 0 0 "[ . 1 . 2 . ]" 1
956 1 62 TYR QD 1 94 LEU H 4.000 . 5.000 3.100 2.760 3.547 . 0 0 "[ . 1 . 2 . ]" 1
957 1 62 TYR QD 1 95 HIS HD2 4.000 . 5.000 4.292 3.898 4.698 . 0 0 "[ . 1 . 2 . ]" 1
958 1 62 TYR QE 1 93 LEU MD1 4.000 . 5.000 2.556 1.936 3.131 . 0 0 "[ . 1 . 2 . ]" 1
959 1 62 TYR QE 1 93 LEU MD2 4.000 . 5.000 3.526 2.464 4.147 . 0 0 "[ . 1 . 2 . ]" 1
960 1 62 TYR QE 1 93 LEU HB3 4.000 . 5.000 3.009 2.592 3.521 . 0 0 "[ . 1 . 2 . ]" 1
961 1 62 TYR QE 1 94 LEU HA 5.000 . 6.000 6.050 5.995 6.119 0.119 5 0 "[ . 1 . 2 . ]" 1
962 1 62 TYR QE 1 94 LEU H 5.000 . 6.000 3.488 3.374 3.642 . 0 0 "[ . 1 . 2 . ]" 1
963 1 62 TYR QE 1 95 HIS HD2 5.000 . 6.000 5.815 5.497 6.014 0.014 25 0 "[ . 1 . 2 . ]" 1
964 1 63 THR HA 1 64 PRO QB 4.000 . 5.000 4.764 4.629 4.896 . 0 0 "[ . 1 . 2 . ]" 1
965 1 63 THR HA 1 64 PRO QD 3.000 . 4.000 1.965 1.901 2.098 . 0 0 "[ . 1 . 2 . ]" 1
966 1 63 THR MG 1 65 ALA HA 4.000 . 5.000 5.034 4.707 5.190 0.190 6 0 "[ . 1 . 2 . ]" 1
967 1 63 THR MG 1 65 ALA MB 4.000 . 5.000 4.809 4.463 5.060 0.060 25 0 "[ . 1 . 2 . ]" 1
968 1 63 THR HA 1 96 ILE H 3.000 . 4.000 2.877 2.663 3.116 . 0 0 "[ . 1 . 2 . ]" 1
969 1 63 THR HA 1 95 HIS QB 5.000 . 6.000 4.173 3.722 4.577 . 0 0 "[ . 1 . 2 . ]" 1
970 1 63 THR HB 1 96 ILE QG 5.000 . 6.000 2.847 1.943 3.924 . 0 0 "[ . 1 . 2 . ]" 1
971 1 63 THR H 1 96 ILE QG 5.000 . 6.000 4.471 4.039 5.144 . 0 0 "[ . 1 . 2 . ]" 1
972 1 63 THR HB 1 71 GLY H 4.000 . 5.000 5.139 4.835 5.335 0.335 24 0 "[ . 1 . 2 . ]" 1
973 1 63 THR HB 1 96 ILE H 4.000 . 5.000 3.201 2.649 3.863 . 0 0 "[ . 1 . 2 . ]" 1
974 1 63 THR HB 1 96 ILE MG 4.000 . 5.000 4.903 4.567 5.149 0.149 29 0 "[ . 1 . 2 . ]" 1
975 1 63 THR HB 1 96 ILE MD 4.000 . 5.000 3.474 1.721 5.021 0.079 2 0 "[ . 1 . 2 . ]" 1
976 1 63 THR MG 1 71 GLY H 5.000 . 6.000 4.849 3.743 5.706 . 0 0 "[ . 1 . 2 . ]" 1
977 1 63 THR MG 1 72 TYR H 4.000 . 5.000 3.000 2.033 3.926 . 0 0 "[ . 1 . 2 . ]" 1
978 1 63 THR MG 1 72 TYR HB3 4.000 . 5.000 2.241 1.785 3.153 0.015 23 0 "[ . 1 . 2 . ]" 1
979 1 63 THR MG 1 72 TYR HB2 4.000 . 5.000 2.424 1.764 3.498 0.036 4 0 "[ . 1 . 2 . ]" 1
980 1 63 THR MG 1 72 TYR QD 4.000 . 5.000 3.519 2.762 3.996 . 0 0 "[ . 1 . 2 . ]" 1
981 1 63 THR MG 1 96 ILE H 4.000 . 5.000 4.174 3.911 4.484 . 0 0 "[ . 1 . 2 . ]" 1
982 1 64 PRO HA 1 65 ALA H 2.500 . 2.700 2.137 2.077 2.238 . 0 0 "[ . 1 . 2 . ]" 1
983 1 64 PRO QB 1 65 ALA H 4.000 . 5.000 3.077 2.878 3.276 . 0 0 "[ . 1 . 2 . ]" 1
984 1 64 PRO QG 1 65 ALA H 4.000 . 5.000 4.625 4.483 4.786 . 0 0 "[ . 1 . 2 . ]" 1
985 1 64 PRO HA 1 69 VAL MG1 4.000 . 5.000 4.340 3.912 4.905 . 0 0 "[ . 1 . 2 . ]" 1
986 1 64 PRO QB 1 69 VAL HA 4.000 . 5.000 4.799 4.296 5.038 0.038 11 0 "[ . 1 . 2 . ]" 1
987 1 64 PRO HB3 1 69 VAL MG1 4.000 . 5.000 3.870 2.934 5.061 0.061 4 0 "[ . 1 . 2 . ]" 1
988 1 64 PRO HB2 1 69 VAL MG1 4.000 . 5.000 2.486 1.834 3.709 . 0 0 "[ . 1 . 2 . ]" 1
989 1 64 PRO HB3 1 69 VAL MG2 4.000 . 5.000 2.764 1.775 3.158 0.025 20 0 "[ . 1 . 2 . ]" 1
990 1 64 PRO HB2 1 69 VAL MG2 4.000 . 5.000 1.839 1.716 2.010 0.084 21 0 "[ . 1 . 2 . ]" 1
991 1 64 PRO QB 1 71 GLY H 4.000 . 5.000 4.252 2.837 5.084 0.084 4 0 "[ . 1 . 2 . ]" 1
992 1 64 PRO QG 1 69 VAL HB 5.000 . 6.000 5.113 4.068 6.050 0.050 27 0 "[ . 1 . 2 . ]" 1
993 1 64 PRO QG 1 69 VAL MG1 4.000 . 5.000 3.911 3.347 5.006 0.006 18 0 "[ . 1 . 2 . ]" 1
994 1 64 PRO QG 1 69 VAL MG2 4.000 . 5.000 2.538 1.784 3.362 0.016 1 0 "[ . 1 . 2 . ]" 1
995 1 64 PRO QG 1 71 GLY H 4.000 . 5.000 4.621 3.721 5.104 0.104 4 0 "[ . 1 . 2 . ]" 1
996 1 64 PRO QG 1 71 GLY QA 4.000 . 5.000 4.260 3.279 5.049 0.049 10 0 "[ . 1 . 2 . ]" 1
997 1 64 PRO QD 1 69 VAL MG1 5.000 . 6.000 3.846 3.255 4.598 . 0 0 "[ . 1 . 2 . ]" 1
998 1 64 PRO QD 1 70 CYS H 5.000 . 6.000 4.308 3.244 5.016 . 0 0 "[ . 1 . 2 . ]" 1
999 1 64 PRO QD 1 70 CYS QB 5.000 . 6.000 4.046 1.973 5.064 . 0 0 "[ . 1 . 2 . ]" 1
1000 1 64 PRO QD 1 71 GLY QA 4.000 . 5.000 2.755 1.753 4.271 0.047 7 0 "[ . 1 . 2 . ]" 1
1001 1 65 ALA H 1 66 MET H 3.000 . 4.000 3.403 2.536 4.116 0.116 27 0 "[ . 1 . 2 . ]" 1
1002 1 65 ALA HA 1 66 MET H 4.000 . 5.000 2.604 2.129 3.157 . 0 0 "[ . 1 . 2 . ]" 1
1003 1 65 ALA MB 1 66 MET QG 4.000 . 5.000 4.528 3.628 5.096 0.096 18 0 "[ . 1 . 2 . ]" 1
1004 1 65 ALA H 1 69 VAL MG2 4.000 . 5.000 4.419 3.201 4.816 . 0 0 "[ . 1 . 2 . ]" 1
1005 1 65 ALA HA 1 69 VAL MG2 4.000 . 5.000 4.741 2.986 5.146 0.146 22 0 "[ . 1 . 2 . ]" 1
1006 1 65 ALA HA 1 71 GLY QA 4.000 . 5.000 4.281 3.231 5.026 0.026 9 0 "[ . 1 . 2 . ]" 1
1007 1 66 MET H 1 69 VAL MG1 4.000 . 5.000 1.961 1.751 2.851 0.049 10 0 "[ . 1 . 2 . ]" 1
1008 1 66 MET H 1 69 VAL MG2 4.000 . 5.000 3.251 2.121 3.859 . 0 0 "[ . 1 . 2 . ]" 1
1009 1 66 MET QB 1 69 VAL HA 5.000 . 6.000 4.123 3.288 5.979 . 0 0 "[ . 1 . 2 . ]" 1
1010 1 66 MET HA 1 69 VAL HB 4.000 . 5.000 4.223 3.687 4.763 . 0 0 "[ . 1 . 2 . ]" 1
1011 1 66 MET HB3 1 69 VAL HB 4.000 . 5.000 2.876 1.775 4.833 0.025 10 0 "[ . 1 . 2 . ]" 1
1012 1 66 MET HB2 1 69 VAL HB 4.000 . 5.000 2.455 1.732 3.993 0.068 22 0 "[ . 1 . 2 . ]" 1
1013 1 66 MET HB3 1 69 VAL MG1 4.000 . 5.000 3.734 2.463 4.869 . 0 0 "[ . 1 . 2 . ]" 1
1014 1 66 MET HB2 1 69 VAL MG1 4.000 . 5.000 3.249 2.141 5.082 0.082 18 0 "[ . 1 . 2 . ]" 1
1015 1 66 MET HB3 1 69 VAL MG2 4.000 . 5.000 3.676 2.564 4.610 . 0 0 "[ . 1 . 2 . ]" 1
1016 1 66 MET HB2 1 69 VAL MG2 4.000 . 5.000 2.985 1.760 4.583 0.040 19 0 "[ . 1 . 2 . ]" 1
1017 1 66 MET QG 1 69 VAL HB 5.000 . 6.000 3.206 1.734 4.654 0.066 18 0 "[ . 1 . 2 . ]" 1
1018 1 66 MET QG 1 69 VAL MG1 4.000 . 5.000 3.657 2.244 4.875 . 0 0 "[ . 1 . 2 . ]" 1
1019 1 66 MET QG 1 69 VAL MG2 4.000 . 5.000 3.199 1.784 4.811 0.016 4 0 "[ . 1 . 2 . ]" 1
1020 1 69 VAL HA 1 70 CYS H 3.000 . 4.000 2.597 2.310 3.001 . 0 0 "[ . 1 . 2 . ]" 1
1021 1 69 VAL HB 1 70 CYS H 4.000 . 5.000 3.661 3.398 3.878 . 0 0 "[ . 1 . 2 . ]" 1
1022 1 69 VAL MG2 1 70 CYS H 4.000 . 5.000 1.775 1.709 1.876 0.091 2 0 "[ . 1 . 2 . ]" 1
1023 1 69 VAL HA 1 71 GLY H 4.000 . 5.000 4.786 4.188 5.270 0.270 20 0 "[ . 1 . 2 . ]" 1
1024 1 69 VAL HB 1 71 GLY H 4.000 . 5.000 4.982 4.349 5.292 0.292 7 0 "[ . 1 . 2 . ]" 1
1025 1 69 VAL HB 1 71 GLY QA 5.000 . 6.000 5.295 5.129 5.585 . 0 0 "[ . 1 . 2 . ]" 1
1026 1 69 VAL MG2 1 71 GLY H 4.000 . 5.000 3.221 2.389 4.326 . 0 0 "[ . 1 . 2 . ]" 1
1027 1 69 VAL MG2 1 71 GLY QA 4.000 . 5.000 3.679 2.959 4.644 . 0 0 "[ . 1 . 2 . ]" 1
1028 1 70 CYS H 1 71 GLY H 4.000 . 5.000 2.967 2.308 3.743 . 0 0 "[ . 1 . 2 . ]" 1
1029 1 70 CYS HA 1 71 GLY H 3.000 . 4.000 2.845 2.090 3.562 . 0 0 "[ . 1 . 2 . ]" 1
1030 1 70 CYS HA 1 71 GLY QA 4.000 . 5.000 4.164 3.890 4.402 . 0 0 "[ . 1 . 2 . ]" 1
1031 1 70 CYS HA 1 72 TYR H 4.000 . 5.000 5.219 4.948 5.351 0.351 2 0 "[ . 1 . 2 . ]" 1
1032 1 70 CYS H 1 98 THR MG 4.000 . 5.000 4.647 4.056 5.068 0.068 23 0 "[ . 1 . 2 . ]" 1
1033 1 70 CYS HA 1 97 THR HB 4.000 . 5.000 4.464 3.754 5.146 0.146 16 0 "[ . 1 . 2 . ]" 1
1034 1 70 CYS QB 1 97 THR HB 4.000 . 5.000 2.071 1.749 3.477 0.051 7 0 "[ . 1 . 2 . ]" 1
1035 1 70 CYS HA 1 99 CYS H 5.000 . 6.000 5.016 3.920 5.802 . 0 0 "[ . 1 . 2 . ]" 1
1036 1 70 CYS HA 1 98 THR MG 4.000 . 5.000 2.368 1.786 2.915 0.014 6 0 "[ . 1 . 2 . ]" 1
1037 1 70 CYS QB 1 97 THR H 4.000 . 5.000 4.948 4.497 5.155 0.155 11 0 "[ . 1 . 2 . ]" 1
1038 1 70 CYS QB 1 97 THR MG 4.000 . 5.000 2.578 1.815 3.528 . 0 0 "[ . 1 . 2 . ]" 1
1039 1 70 CYS QB 1 98 THR H 4.000 . 5.000 2.234 1.717 3.451 0.083 11 0 "[ . 1 . 2 . ]" 1
1040 1 70 CYS QB 1 99 CYS H 4.000 . 5.000 3.176 2.558 4.547 . 0 0 "[ . 1 . 2 . ]" 1
1041 1 71 GLY H 1 72 TYR H 4.000 . 5.000 3.635 2.743 4.372 . 0 0 "[ . 1 . 2 . ]" 1
1042 1 71 GLY HA3 1 72 TYR H 4.000 . 5.000 2.446 2.059 3.485 . 0 0 "[ . 1 . 2 . ]" 1
1043 1 71 GLY HA2 1 72 TYR H 4.000 . 5.000 3.083 2.131 3.531 . 0 0 "[ . 1 . 2 . ]" 1
1044 1 71 GLY QA 1 72 TYR HA 4.000 . 5.000 4.046 4.000 4.133 . 0 0 "[ . 1 . 2 . ]" 1
1045 1 71 GLY QA 1 72 TYR QB 4.000 . 5.000 3.642 3.430 4.050 . 0 0 "[ . 1 . 2 . ]" 1
1046 1 71 GLY H 1 73 PHE H 5.000 . 6.000 5.587 4.664 6.205 0.205 10 0 "[ . 1 . 2 . ]" 1
1047 1 71 GLY H 1 97 THR HA 5.000 . 6.000 4.246 3.312 5.140 . 0 0 "[ . 1 . 2 . ]" 1
1048 1 72 TYR HA 1 73 PHE H 2.500 . 2.700 2.288 2.072 2.411 . 0 0 "[ . 1 . 2 . ]" 1
1049 1 72 TYR QB 1 73 PHE H 4.000 . 5.000 3.981 3.130 4.060 . 0 0 "[ . 1 . 2 . ]" 1
1050 1 72 TYR QD 1 73 PHE H 4.000 . 5.000 4.095 2.877 4.508 . 0 0 "[ . 1 . 2 . ]" 1
1051 1 72 TYR HA 1 74 HIS HB3 5.000 . 6.000 6.130 6.027 6.306 0.306 5 0 "[ . 1 . 2 . ]" 1
1052 1 72 TYR HA 1 74 HIS HB2 5.000 . 6.000 5.550 5.141 5.876 . 0 0 "[ . 1 . 2 . ]" 1
1053 1 72 TYR QD 1 74 HIS H 4.000 . 5.000 3.565 1.799 4.292 0.001 10 0 "[ . 1 . 2 . ]" 1
1054 1 72 TYR QD 1 74 HIS HB3 4.000 . 5.000 3.152 2.542 4.610 . 0 0 "[ . 1 . 2 . ]" 1
1055 1 72 TYR QE 1 74 HIS HB3 4.000 . 5.000 3.747 3.012 4.892 . 0 0 "[ . 1 . 2 . ]" 1
1056 1 72 TYR QE 1 74 HIS HB2 4.000 . 5.000 2.228 1.791 3.505 0.009 16 0 "[ . 1 . 2 . ]" 1
1057 1 72 TYR QE 1 74 HIS HA 4.000 . 5.000 3.675 2.416 4.291 . 0 0 "[ . 1 . 2 . ]" 1
1058 1 72 TYR QE 1 74 HIS H 4.000 . 5.000 4.784 3.183 5.129 0.129 11 0 "[ . 1 . 2 . ]" 1
1059 1 72 TYR H 1 96 ILE QG 5.000 . 6.000 5.536 4.440 6.125 0.125 29 0 "[ . 1 . 2 . ]" 1
1060 1 72 TYR H 1 97 THR HA 4.000 . 5.000 4.892 3.688 5.127 0.127 29 0 "[ . 1 . 2 . ]" 1
1061 1 72 TYR H 1 97 THR MG 5.000 . 6.000 5.799 4.838 6.101 0.101 20 0 "[ . 1 . 2 . ]" 1
1062 1 72 TYR H 1 98 THR MG 4.000 . 5.000 3.816 2.633 4.697 . 0 0 "[ . 1 . 2 . ]" 1
1063 1 72 TYR HA 1 96 ILE QG 5.000 . 6.000 4.820 3.630 6.126 0.126 2 0 "[ . 1 . 2 . ]" 1
1064 1 72 TYR HA 1 98 THR MG 4.000 . 5.000 2.967 2.145 3.982 . 0 0 "[ . 1 . 2 . ]" 1
1065 1 72 TYR QB 1 96 ILE MD 4.000 . 5.000 3.838 2.120 4.897 . 0 0 "[ . 1 . 2 . ]" 1
1066 1 72 TYR QB 1 98 THR H 4.000 . 5.000 4.790 3.426 5.155 0.155 26 0 "[ . 1 . 2 . ]" 1
1067 1 72 TYR QB 1 98 THR MG 4.000 . 5.000 4.325 3.792 5.054 0.054 26 0 "[ . 1 . 2 . ]" 1
1068 1 72 TYR QD 1 96 ILE MD 4.000 . 5.000 3.973 2.294 5.015 0.015 5 0 "[ . 1 . 2 . ]" 1
1069 1 72 TYR QD 1 98 THR HA 4.000 . 5.000 4.193 2.681 5.028 0.028 29 0 "[ . 1 . 2 . ]" 1
1070 1 72 TYR QD 1 98 THR MG 4.000 . 5.000 4.313 2.847 5.068 0.068 27 0 "[ . 1 . 2 . ]" 1
1071 1 72 TYR QE 1 96 ILE MD 4.000 . 5.000 4.524 3.106 5.072 0.072 5 0 "[ . 1 . 2 . ]" 1
1072 1 72 TYR QE 1 97 THR HA 5.000 . 6.000 5.983 5.381 6.104 0.104 5 0 "[ . 1 . 2 . ]" 1
1073 1 72 TYR QE 1 102 VAL HB 4.000 . 5.000 2.816 1.799 4.204 0.001 9 0 "[ . 1 . 2 . ]" 1
1074 1 72 TYR QE 1 102 VAL MG1 4.000 . 5.000 2.073 1.780 2.906 0.020 19 0 "[ . 1 . 2 . ]" 1
1075 1 73 PHE H 1 74 HIS H 4.000 . 5.000 4.081 3.345 4.305 . 0 0 "[ . 1 . 2 . ]" 1
1076 1 73 PHE HA 1 74 HIS H 2.200 . 2.700 2.145 1.972 2.640 . 0 0 "[ . 1 . 2 . ]" 1
1077 1 73 PHE HA 1 74 HIS HB2 4.000 . 5.000 4.922 4.691 5.071 0.071 10 0 "[ . 1 . 2 . ]" 1
1078 1 73 PHE QB 1 74 HIS H 4.000 . 5.000 3.732 3.516 3.940 . 0 0 "[ . 1 . 2 . ]" 1
1079 1 73 PHE QD 1 74 HIS H 4.000 . 5.000 4.415 4.070 5.021 0.021 10 0 "[ . 1 . 2 . ]" 1
1080 1 73 PHE QD 1 75 ARG QD 4.000 . 5.000 3.195 2.804 3.878 . 0 0 "[ . 1 . 2 . ]" 1
1081 1 73 PHE QE 1 75 ARG QD 4.000 . 5.000 4.993 4.824 5.145 0.145 10 0 "[ . 1 . 2 . ]" 1
1082 1 73 PHE H 1 98 THR MG 4.000 . 5.000 3.035 1.804 5.032 0.032 10 0 "[ . 1 . 2 . ]" 1
1083 1 74 HIS HA 1 75 ARG H 2.200 . 2.700 2.091 1.996 2.187 . 0 0 "[ . 1 . 2 . ]" 1
1084 1 74 HIS HA 1 75 ARG QG 4.000 . 5.000 4.121 3.250 5.100 0.100 28 0 "[ . 1 . 2 . ]" 1
1085 1 74 HIS HA 1 75 ARG QD 5.000 . 6.000 4.088 2.728 6.044 0.044 27 0 "[ . 1 . 2 . ]" 1
1086 1 74 HIS HB3 1 75 ARG H 4.000 . 5.000 4.453 4.131 4.555 . 0 0 "[ . 1 . 2 . ]" 1
1087 1 74 HIS HB2 1 75 ARG H 4.000 . 5.000 4.154 3.803 4.390 . 0 0 "[ . 1 . 2 . ]" 1
1088 1 74 HIS HD2 1 75 ARG HA 4.000 . 5.000 4.580 3.223 5.027 0.027 19 0 "[ . 1 . 2 . ]" 1
1089 1 74 HIS HA 1 76 SER H 4.000 . 5.000 4.178 3.316 5.051 0.051 5 0 "[ . 1 . 2 . ]" 1
1090 1 75 ARG H 1 76 SER H 3.000 . 4.000 3.101 2.043 3.843 . 0 0 "[ . 1 . 2 . ]" 1
1091 1 75 ARG HA 1 76 SER H 3.000 . 4.000 2.659 2.269 3.262 . 0 0 "[ . 1 . 2 . ]" 1
1092 1 75 ARG QB 1 76 SER H 4.000 . 5.000 3.866 3.424 4.041 . 0 0 "[ . 1 . 2 . ]" 1
1093 1 75 ARG QG 1 76 SER H 4.000 . 5.000 4.537 3.415 5.038 0.038 28 0 "[ . 1 . 2 . ]" 1
1094 1 75 ARG QD 1 76 SER HA 5.000 . 6.000 6.028 5.897 6.105 0.105 20 0 "[ . 1 . 2 . ]" 1
1095 1 76 SER HA 1 78 ASN H 4.000 . 5.000 3.744 3.210 4.631 . 0 0 "[ . 1 . 2 . ]" 1
1096 1 76 SER HB3 1 83 PHE QD 4.000 . 5.000 5.020 4.803 5.127 0.127 8 0 "[ . 1 . 2 . ]" 1
1097 1 76 SER HB2 1 83 PHE QD 4.000 . 5.000 5.027 4.898 5.111 0.111 10 0 "[ . 1 . 2 . ]" 1
1098 1 76 SER HB3 1 83 PHE QE 4.000 . 5.000 2.966 2.717 3.305 . 0 0 "[ . 1 . 2 . ]" 1
1099 1 76 SER HB2 1 83 PHE QE 4.000 . 5.000 3.267 2.605 3.950 . 0 0 "[ . 1 . 2 . ]" 1
1100 1 77 HIS HA 1 78 ASN H 3.000 . 4.000 3.233 2.240 3.526 . 0 0 "[ . 1 . 2 . ]" 1
1101 1 77 HIS QB 1 78 ASN H 4.000 . 5.000 3.174 2.074 3.987 . 0 0 "[ . 1 . 2 . ]" 1
1102 1 78 ASN HA 1 79 ARG H 4.000 . 5.000 2.198 2.089 2.726 . 0 0 "[ . 1 . 2 . ]" 1
1103 1 78 ASN HB3 1 79 ARG H 4.000 . 5.000 4.014 2.201 4.317 . 0 0 "[ . 1 . 2 . ]" 1
1104 1 78 ASN HB2 1 79 ARG H 4.000 . 5.000 4.478 3.376 4.669 . 0 0 "[ . 1 . 2 . ]" 1
1105 1 78 ASN H 1 80 SER H 5.000 . 6.000 5.661 5.281 6.416 0.416 6 0 "[ . 1 . 2 . ]" 1
1106 1 78 ASN HA 1 80 SER H 4.000 . 5.000 3.589 3.248 5.179 0.179 6 0 "[ . 1 . 2 . ]" 1
1107 1 78 ASN QB 1 80 SER H 4.000 . 5.000 3.771 3.271 4.466 . 0 0 "[ . 1 . 2 . ]" 1
1108 1 78 ASN HB3 1 81 GLU QB 4.000 . 5.000 1.872 1.712 2.295 0.088 9 0 "[ . 1 . 2 . ]" 1
1109 1 78 ASN HB2 1 81 GLU QB 4.000 . 5.000 3.092 2.686 3.444 . 0 0 "[ . 1 . 2 . ]" 1
1110 1 78 ASN HB3 1 81 GLU QG 4.000 . 5.000 3.662 2.905 4.308 . 0 0 "[ . 1 . 2 . ]" 1
1111 1 78 ASN HB2 1 81 GLU QG 4.000 . 5.000 4.424 3.789 4.978 . 0 0 "[ . 1 . 2 . ]" 1
1112 1 78 ASN QB 1 81 GLU H 4.000 . 5.000 2.868 2.456 3.580 . 0 0 "[ . 1 . 2 . ]" 1
1113 1 78 ASN QD 1 81 GLU QB 4.000 . 5.000 3.100 1.873 4.257 . 0 0 "[ . 1 . 2 . ]" 1
1114 1 79 ARG H 1 80 SER H 3.000 . 4.000 2.478 2.283 2.961 . 0 0 "[ . 1 . 2 . ]" 1
1115 1 79 ARG HA 1 80 SER H 3.000 . 4.000 3.367 3.060 3.544 . 0 0 "[ . 1 . 2 . ]" 1
1116 1 79 ARG HB3 1 80 SER H 4.000 . 5.000 3.854 1.757 4.443 0.043 6 0 "[ . 1 . 2 . ]" 1
1117 1 79 ARG HB2 1 80 SER H 4.000 . 5.000 3.617 1.828 4.465 . 0 0 "[ . 1 . 2 . ]" 1
1118 1 79 ARG QG 1 80 SER H 4.000 . 5.000 3.522 2.103 4.745 . 0 0 "[ . 1 . 2 . ]" 1
1119 1 79 ARG H 1 81 GLU H 4.000 . 5.000 3.929 2.597 4.740 . 0 0 "[ . 1 . 2 . ]" 1
1120 1 80 SER H 1 81 GLU H 2.500 . 3.000 2.383 2.086 3.215 0.215 9 0 "[ . 1 . 2 . ]" 1
1121 1 80 SER HA 1 81 GLU H 3.000 . 4.000 3.273 2.645 3.563 . 0 0 "[ . 1 . 2 . ]" 1
1122 1 80 SER QB 1 81 GLU H 4.000 . 5.000 3.674 3.205 4.036 . 0 0 "[ . 1 . 2 . ]" 1
1123 1 80 SER QB 1 81 GLU QB 4.000 . 5.000 4.733 4.164 5.104 0.104 4 0 "[ . 1 . 2 . ]" 1
1124 1 81 GLU H 1 82 GLU H 4.000 . 5.000 4.449 4.009 4.616 . 0 0 "[ . 1 . 2 . ]" 1
1125 1 81 GLU HA 1 82 GLU H 2.500 . 2.700 2.158 2.083 2.305 . 0 0 "[ . 1 . 2 . ]" 1
1126 1 81 GLU QB 1 82 GLU H 4.000 . 5.000 3.730 3.597 3.944 . 0 0 "[ . 1 . 2 . ]" 1
1127 1 81 GLU HB3 1 83 PHE QE 4.000 . 5.000 2.847 2.229 3.605 . 0 0 "[ . 1 . 2 . ]" 1
1128 1 81 GLU HB2 1 83 PHE QE 4.000 . 5.000 4.367 3.734 4.984 . 0 0 "[ . 1 . 2 . ]" 1
1129 1 81 GLU QG 1 83 PHE QD 4.000 . 5.000 4.253 3.470 4.967 . 0 0 "[ . 1 . 2 . ]" 1
1130 1 81 GLU QG 1 83 PHE QE 4.000 . 5.000 3.546 2.151 4.327 . 0 0 "[ . 1 . 2 . ]" 1
1131 1 81 GLU QG 1 104 PRO QB 4.000 . 5.000 3.980 3.266 4.774 . 0 0 "[ . 1 . 2 . ]" 1
1132 1 81 GLU QG 1 104 PRO HA 5.000 . 6.000 5.026 4.315 5.998 . 0 0 "[ . 1 . 2 . ]" 1
1133 1 82 GLU H 1 83 PHE H 4.000 . 5.000 4.588 4.492 4.646 . 0 0 "[ . 1 . 2 . ]" 1
1134 1 82 GLU HA 1 83 PHE H 2.500 . 2.700 2.405 2.114 2.621 . 0 0 "[ . 1 . 2 . ]" 1
1135 1 82 GLU QB 1 83 PHE H 4.000 . 5.000 2.645 2.203 3.698 . 0 0 "[ . 1 . 2 . ]" 1
1136 1 82 GLU QB 1 83 PHE QB 5.000 . 6.000 4.673 4.467 5.338 . 0 0 "[ . 1 . 2 . ]" 1
1137 1 82 GLU QG 1 83 PHE H 4.000 . 5.000 3.754 1.840 4.560 . 0 0 "[ . 1 . 2 . ]" 1
1138 1 82 GLU QB 1 105 TRP QB 4.000 . 5.000 2.927 2.410 3.738 . 0 0 "[ . 1 . 2 . ]" 1
1139 1 83 PHE HA 1 84 LEU H 2.500 . 2.700 2.420 2.339 2.461 . 0 0 "[ . 1 . 2 . ]" 1
1140 1 83 PHE QB 1 84 LEU H 4.000 . 5.000 2.047 1.916 2.167 . 0 0 "[ . 1 . 2 . ]" 1
1141 1 83 PHE QD 1 84 LEU H 4.000 . 5.000 2.645 2.263 3.689 . 0 0 "[ . 1 . 2 . ]" 1
1142 1 83 PHE QB 1 85 ILE QG 4.000 . 5.000 2.911 2.701 3.260 . 0 0 "[ . 1 . 2 . ]" 1
1143 1 83 PHE QB 1 102 VAL MG1 4.000 . 5.000 3.992 3.571 4.427 . 0 0 "[ . 1 . 2 . ]" 1
1144 1 83 PHE QD 1 102 VAL MG1 4.000 . 5.000 4.003 3.361 4.215 . 0 0 "[ . 1 . 2 . ]" 1
1145 1 83 PHE QE 1 102 VAL MG1 4.000 . 5.000 4.961 4.361 5.046 0.046 18 0 "[ . 1 . 2 . ]" 1
1146 1 83 PHE HA 1 104 PRO HA 2.500 . 3.000 2.066 1.826 2.339 . 0 0 "[ . 1 . 2 . ]" 1
1147 1 83 PHE HA 1 105 TRP H 3.000 . 4.000 1.992 1.716 2.492 0.084 2 0 "[ . 1 . 2 . ]" 1
1148 1 83 PHE QD 1 104 PRO QG 4.000 . 5.000 3.529 3.267 4.157 . 0 0 "[ . 1 . 2 . ]" 1
1149 1 84 LEU H 1 85 ILE H 4.000 . 5.000 4.294 4.000 4.368 . 0 0 "[ . 1 . 2 . ]" 1
1150 1 84 LEU HA 1 85 ILE H 2.500 . 2.700 2.177 2.139 2.205 . 0 0 "[ . 1 . 2 . ]" 1
1151 1 84 LEU QB 1 85 ILE H 4.000 . 5.000 3.804 3.683 3.973 . 0 0 "[ . 1 . 2 . ]" 1
1152 1 84 LEU HG 1 85 ILE H 4.000 . 5.000 4.665 3.837 5.080 0.080 26 0 "[ . 1 . 2 . ]" 1
1153 1 84 LEU MD1 1 85 ILE H 4.000 . 5.000 2.807 1.849 3.601 . 0 0 "[ . 1 . 2 . ]" 1
1154 1 84 LEU MD1 1 85 ILE QG 4.000 . 5.000 4.268 3.997 4.779 . 0 0 "[ . 1 . 2 . ]" 1
1155 1 84 LEU MD2 1 85 ILE H 4.000 . 5.000 2.251 1.891 4.281 . 0 0 "[ . 1 . 2 . ]" 1
1156 1 84 LEU MD1 1 86 ALA H 4.000 . 5.000 3.057 2.777 3.334 . 0 0 "[ . 1 . 2 . ]" 1
1157 1 84 LEU MD2 1 86 ALA H 4.000 . 5.000 4.689 4.292 5.152 0.152 21 0 "[ . 1 . 2 . ]" 1
1158 1 84 LEU MD1 1 86 ALA MB 4.000 . 5.000 2.920 2.680 3.164 . 0 0 "[ . 1 . 2 . ]" 1
1159 1 84 LEU H 1 103 ALA H 3.000 . 4.000 3.540 3.299 3.860 . 0 0 "[ . 1 . 2 . ]" 1
1160 1 84 LEU H 1 103 ALA MB 4.000 . 5.000 4.695 4.574 4.884 . 0 0 "[ . 1 . 2 . ]" 1
1161 1 84 LEU H 1 104 PRO HA 3.000 . 4.000 3.163 2.856 3.363 . 0 0 "[ . 1 . 2 . ]" 1
1162 1 84 LEU H 1 105 TRP H 4.000 . 5.000 3.113 2.746 3.397 . 0 0 "[ . 1 . 2 . ]" 1
1163 1 84 LEU QB 1 103 ALA H 4.000 . 5.000 2.513 2.245 3.162 . 0 0 "[ . 1 . 2 . ]" 1
1164 1 84 LEU QB 1 105 TRP HE3 4.000 . 5.000 2.238 1.987 2.598 . 0 0 "[ . 1 . 2 . ]" 1
1165 1 84 LEU QB 1 105 TRP HZ3 4.000 . 5.000 4.099 3.779 4.437 . 0 0 "[ . 1 . 2 . ]" 1
1166 1 84 LEU QB 1 108 LEU MD1 4.000 . 5.000 2.912 2.123 4.199 . 0 0 "[ . 1 . 2 . ]" 1
1167 1 84 LEU QB 1 108 LEU MD2 4.000 . 5.000 2.840 2.067 3.513 . 0 0 "[ . 1 . 2 . ]" 1
1168 1 84 LEU HG 1 105 TRP HZ3 4.000 . 5.000 3.274 2.889 5.071 0.071 21 0 "[ . 1 . 2 . ]" 1
1169 1 84 LEU MD1 1 101 PHE QD 4.000 . 5.000 2.096 1.777 3.480 0.023 27 0 "[ . 1 . 2 . ]" 1
1170 1 84 LEU MD1 1 105 TRP HE3 4.000 . 5.000 4.133 3.605 4.454 . 0 0 "[ . 1 . 2 . ]" 1
1171 1 84 LEU MD2 1 101 PHE QD 4.000 . 5.000 4.484 3.403 4.992 . 0 0 "[ . 1 . 2 . ]" 1
1172 1 84 LEU MD2 1 105 TRP HE3 4.000 . 5.000 2.107 1.815 2.903 . 0 0 "[ . 1 . 2 . ]" 1
1173 1 84 LEU MD1 1 116 PHE QB 4.000 . 5.000 4.671 4.060 4.956 . 0 0 "[ . 1 . 2 . ]" 1
1174 1 84 LEU MD2 1 116 PHE QB 4.000 . 5.000 3.189 2.666 3.711 . 0 0 "[ . 1 . 2 . ]" 1
1175 1 84 LEU MD1 1 116 PHE QD 4.000 . 5.000 3.958 2.820 4.620 . 0 0 "[ . 1 . 2 . ]" 1
1176 1 84 LEU MD2 1 116 PHE QD 4.000 . 5.000 3.192 2.268 3.837 . 0 0 "[ . 1 . 2 . ]" 1
1177 1 84 LEU MD1 1 116 PHE QE 4.000 . 5.000 3.332 2.360 4.259 . 0 0 "[ . 1 . 2 . ]" 1
1178 1 84 LEU MD2 1 116 PHE QE 4.000 . 5.000 3.844 3.053 4.283 . 0 0 "[ . 1 . 2 . ]" 1
1179 1 84 LEU MD1 1 116 PHE HZ 4.000 . 5.000 3.943 3.258 5.032 0.032 21 0 "[ . 1 . 2 . ]" 1
1180 1 84 LEU MD2 1 116 PHE HZ 4.000 . 5.000 4.931 3.373 5.114 0.114 27 0 "[ . 1 . 2 . ]" 1
1181 1 85 ILE H 1 86 ALA H 4.000 . 5.000 4.124 4.043 4.346 . 0 0 "[ . 1 . 2 . ]" 1
1182 1 85 ILE HA 1 86 ALA H 2.500 . 2.700 2.047 1.986 2.089 . 0 0 "[ . 1 . 2 . ]" 1
1183 1 85 ILE HB 1 86 ALA H 4.000 . 5.000 4.322 4.217 4.375 . 0 0 "[ . 1 . 2 . ]" 1
1184 1 85 ILE QG 1 86 ALA H 4.000 . 5.000 4.296 4.044 4.737 . 0 0 "[ . 1 . 2 . ]" 1
1185 1 85 ILE MD 1 86 ALA H 5.000 . 6.000 4.731 3.420 5.390 . 0 0 "[ . 1 . 2 . ]" 1
1186 1 85 ILE MG 1 86 ALA H 4.000 . 5.000 2.925 2.665 3.120 . 0 0 "[ . 1 . 2 . ]" 1
1187 1 85 ILE MG 1 87 GLY H 4.000 . 5.000 3.704 3.515 3.908 . 0 0 "[ . 1 . 2 . ]" 1
1188 1 85 ILE HA 1 102 VAL HA 3.000 . 4.000 2.899 2.723 3.082 . 0 0 "[ . 1 . 2 . ]" 1
1189 1 85 ILE HA 1 102 VAL MG2 4.000 . 5.000 3.126 2.677 3.515 . 0 0 "[ . 1 . 2 . ]" 1
1190 1 85 ILE HA 1 103 ALA H 3.000 . 4.000 4.116 4.045 4.179 0.179 18 0 "[ . 1 . 2 . ]" 1
1191 1 85 ILE QG 1 102 VAL MG1 4.000 . 5.000 2.783 2.101 3.688 . 0 0 "[ . 1 . 2 . ]" 1
1192 1 85 ILE QG 1 102 VAL MG2 4.000 . 5.000 4.296 3.575 5.016 0.016 20 0 "[ . 1 . 2 . ]" 1
1193 1 85 ILE MD 1 94 LEU MD2 4.000 . 5.000 3.664 3.075 4.487 . 0 0 "[ . 1 . 2 . ]" 1
1194 1 85 ILE MG 1 96 ILE HA 4.000 . 5.000 4.862 4.538 5.093 0.093 8 0 "[ . 1 . 2 . ]" 1
1195 1 85 ILE MG 1 96 ILE HB 4.000 . 5.000 4.447 3.687 5.080 0.080 10 0 "[ . 1 . 2 . ]" 1
1196 1 85 ILE MG 1 96 ILE MD 4.000 . 5.000 3.462 2.522 4.911 . 0 0 "[ . 1 . 2 . ]" 1
1197 1 86 ALA HA 1 87 GLY H 2.500 . 2.700 2.155 2.086 2.204 . 0 0 "[ . 1 . 2 . ]" 1
1198 1 86 ALA MB 1 87 GLY H 4.000 . 5.000 3.300 3.198 3.353 . 0 0 "[ . 1 . 2 . ]" 1
1199 1 86 ALA H 1 102 VAL HA 3.000 . 4.000 2.930 2.827 3.133 . 0 0 "[ . 1 . 2 . ]" 1
1200 1 86 ALA H 1 102 VAL MG2 4.000 . 5.000 2.485 1.827 2.781 . 0 0 "[ . 1 . 2 . ]" 1
1201 1 86 ALA MB 1 101 PHE H 4.000 . 5.000 2.771 1.977 3.138 . 0 0 "[ . 1 . 2 . ]" 1
1202 1 86 ALA MB 1 101 PHE HA 4.000 . 5.000 3.917 3.755 4.258 . 0 0 "[ . 1 . 2 . ]" 1
1203 1 86 ALA MB 1 101 PHE HB3 4.000 . 5.000 1.954 1.797 2.265 0.003 7 0 "[ . 1 . 2 . ]" 1
1204 1 86 ALA MB 1 101 PHE HB2 4.000 . 5.000 3.253 3.098 3.586 . 0 0 "[ . 1 . 2 . ]" 1
1205 1 86 ALA MB 1 101 PHE QD 4.000 . 5.000 3.000 2.457 3.264 . 0 0 "[ . 1 . 2 . ]" 1
1206 1 86 ALA MB 1 101 PHE QE 4.000 . 5.000 4.745 4.271 5.015 0.015 16 0 "[ . 1 . 2 . ]" 1
1207 1 86 ALA MB 1 102 VAL H 4.000 . 5.000 4.527 4.386 4.899 . 0 0 "[ . 1 . 2 . ]" 1
1208 1 87 GLY QA 1 88 LYS H 2.500 . 2.700 2.195 2.140 2.302 . 0 0 "[ . 1 . 2 . ]" 1
1209 1 87 GLY H 1 96 ILE MG 4.000 . 5.000 4.484 3.663 5.080 0.080 2 0 "[ . 1 . 2 . ]" 1
1210 1 87 GLY HA3 1 94 LEU MD1 4.000 . 5.000 2.460 1.994 3.437 . 0 0 "[ . 1 . 2 . ]" 1
1211 1 87 GLY HA2 1 94 LEU MD1 4.000 . 5.000 3.803 3.347 4.885 . 0 0 "[ . 1 . 2 . ]" 1
1212 1 87 GLY QA 1 96 ILE MG 4.000 . 5.000 2.590 1.796 3.362 0.004 27 0 "[ . 1 . 2 . ]" 1
1213 1 88 LYS HA 1 89 LEU H 2.500 . 2.700 2.537 2.236 2.664 . 0 0 "[ . 1 . 2 . ]" 1
1214 1 88 LYS QB 1 89 LEU H 4.000 . 5.000 2.593 2.084 3.664 . 0 0 "[ . 1 . 2 . ]" 1
1215 1 88 LYS QG 1 89 LEU H 4.000 . 5.000 3.208 1.586 4.173 0.214 2 0 "[ . 1 . 2 . ]" 1
1216 1 88 LYS QE 1 89 LEU H 5.000 . 6.000 4.819 3.475 6.127 0.127 15 0 "[ . 1 . 2 . ]" 1
1217 1 88 LYS H 1 94 LEU MD1 4.000 . 5.000 3.592 2.646 4.203 . 0 0 "[ . 1 . 2 . ]" 1
1218 1 88 LYS H 1 95 HIS H 3.000 . 4.000 3.917 3.197 4.135 0.135 5 0 "[ . 1 . 2 . ]" 1
1219 1 88 LYS H 1 95 HIS QB 4.000 . 5.000 3.721 3.227 4.091 . 0 0 "[ . 1 . 2 . ]" 1
1220 1 88 LYS QB 1 95 HIS H 4.000 . 5.000 4.706 4.129 5.050 0.050 19 0 "[ . 1 . 2 . ]" 1
1221 1 89 LEU H 1 90 GLN H 4.000 . 5.000 4.447 4.258 4.656 . 0 0 "[ . 1 . 2 . ]" 1
1222 1 89 LEU HA 1 90 GLN H 2.500 . 2.700 2.197 2.031 2.316 . 0 0 "[ . 1 . 2 . ]" 1
1223 1 89 LEU QB 1 90 GLN H 4.000 . 5.000 3.108 2.778 3.490 . 0 0 "[ . 1 . 2 . ]" 1
1224 1 89 LEU HG 1 90 GLN H 4.000 . 5.000 4.725 4.357 4.989 . 0 0 "[ . 1 . 2 . ]" 1
1225 1 89 LEU MD1 1 90 GLN H 4.000 . 5.000 4.613 4.276 5.027 0.027 27 0 "[ . 1 . 2 . ]" 1
1226 1 89 LEU MD2 1 90 GLN H 4.000 . 5.000 2.577 2.147 3.011 . 0 0 "[ . 1 . 2 . ]" 1
1227 1 89 LEU HA 1 91 ASP H 5.000 . 6.000 5.754 5.661 5.846 . 0 0 "[ . 1 . 2 . ]" 1
1228 1 89 LEU HA 1 93 LEU H 5.000 . 6.000 4.842 4.190 5.572 . 0 0 "[ . 1 . 2 . ]" 1
1229 1 89 LEU HB3 1 92 GLY H 4.000 . 5.000 3.056 2.823 3.234 . 0 0 "[ . 1 . 2 . ]" 1
1230 1 89 LEU HB2 1 92 GLY H 4.000 . 5.000 4.747 4.528 4.953 . 0 0 "[ . 1 . 2 . ]" 1
1231 1 89 LEU MD2 1 91 ASP H 5.000 . 6.000 5.449 4.929 5.787 . 0 0 "[ . 1 . 2 . ]" 1
1232 1 89 LEU MD2 1 92 GLY H 4.000 . 5.000 3.549 2.749 4.101 . 0 0 "[ . 1 . 2 . ]" 1
1233 1 89 LEU MD1 1 92 GLY HA3 4.000 . 5.000 4.701 4.228 5.098 0.098 3 0 "[ . 1 . 2 . ]" 1
1234 1 89 LEU MD1 1 92 GLY HA2 4.000 . 5.000 3.279 2.871 3.658 . 0 0 "[ . 1 . 2 . ]" 1
1235 1 89 LEU MD2 1 92 GLY HA3 4.000 . 5.000 4.368 3.889 4.730 . 0 0 "[ . 1 . 2 . ]" 1
1236 1 89 LEU MD2 1 92 GLY HA2 4.000 . 5.000 3.520 2.857 3.965 . 0 0 "[ . 1 . 2 . ]" 1
1237 1 89 LEU MD1 1 93 LEU H 4.000 . 5.000 4.861 4.530 5.065 0.065 22 0 "[ . 1 . 2 . ]" 1
1238 1 89 LEU MD2 1 93 LEU H 4.000 . 5.000 3.370 2.652 3.950 . 0 0 "[ . 1 . 2 . ]" 1
1239 1 89 LEU H 1 94 LEU MD1 4.000 . 5.000 4.537 4.108 5.034 0.034 27 0 "[ . 1 . 2 . ]" 1
1240 1 89 LEU HA 1 95 HIS H 3.000 . 4.000 3.583 2.872 4.083 0.083 7 0 "[ . 1 . 2 . ]" 1
1241 1 89 LEU HG 1 94 LEU MD1 4.000 . 5.000 3.294 2.501 4.142 . 0 0 "[ . 1 . 2 . ]" 1
1242 1 89 LEU MD2 1 94 LEU HA 4.000 . 5.000 1.956 1.736 2.633 0.064 21 0 "[ . 1 . 2 . ]" 1
1243 1 90 GLN H 1 91 ASP H 4.000 . 5.000 4.210 3.985 4.428 . 0 0 "[ . 1 . 2 . ]" 1
1244 1 90 GLN HA 1 91 ASP H 2.500 . 2.700 2.129 2.058 2.233 . 0 0 "[ . 1 . 2 . ]" 1
1245 1 90 GLN QB 1 91 ASP H 4.000 . 5.000 3.620 3.333 3.917 . 0 0 "[ . 1 . 2 . ]" 1
1246 1 90 GLN QG 1 91 ASP H 4.000 . 5.000 3.798 2.851 4.733 . 0 0 "[ . 1 . 2 . ]" 1
1247 1 90 GLN H 1 92 GLY H 4.000 . 5.000 3.548 3.065 4.052 . 0 0 "[ . 1 . 2 . ]" 1
1248 1 90 GLN H 1 93 LEU H 3.000 . 4.000 3.318 2.460 3.976 . 0 0 "[ . 1 . 2 . ]" 1
1249 1 90 GLN H 1 94 LEU HA 3.000 . 4.000 3.687 3.308 3.959 . 0 0 "[ . 1 . 2 . ]" 1
1250 1 90 GLN HA 1 92 GLY H 4.000 . 5.000 3.840 3.610 4.061 . 0 0 "[ . 1 . 2 . ]" 1
1251 1 90 GLN HA 1 93 LEU H 4.000 . 5.000 4.818 4.347 5.229 0.229 7 0 "[ . 1 . 2 . ]" 1
1252 1 90 GLN H 1 95 HIS H 5.000 . 6.000 4.647 3.428 5.188 . 0 0 "[ . 1 . 2 . ]" 1
1253 1 90 GLN H 1 95 HIS HD2 4.000 . 5.000 2.877 2.144 3.617 . 0 0 "[ . 1 . 2 . ]" 1
1254 1 90 GLN QB 1 95 HIS HD2 4.000 . 5.000 2.588 2.176 4.057 . 0 0 "[ . 1 . 2 . ]" 1
1255 1 91 ASP H 1 92 GLY H 3.000 . 4.000 3.015 2.864 3.130 . 0 0 "[ . 1 . 2 . ]" 1
1256 1 91 ASP HA 1 92 GLY H 2.500 . 3.000 2.937 2.838 3.038 0.038 9 0 "[ . 1 . 2 . ]" 1
1257 1 91 ASP HB3 1 92 GLY H 4.000 . 5.000 4.332 4.285 4.379 . 0 0 "[ . 1 . 2 . ]" 1
1258 1 91 ASP HB2 1 92 GLY H 4.000 . 5.000 4.194 4.064 4.303 . 0 0 "[ . 1 . 2 . ]" 1
1259 1 91 ASP HA 1 93 LEU H 5.000 . 6.000 4.847 4.525 5.061 . 0 0 "[ . 1 . 2 . ]" 1
1260 1 91 ASP HB2 1 93 LEU H 4.000 . 5.000 4.361 4.036 4.614 . 0 0 "[ . 1 . 2 . ]" 1
1261 1 92 GLY H 1 93 LEU H 3.000 . 4.000 2.767 2.242 3.240 . 0 0 "[ . 1 . 2 . ]" 1
1262 1 92 GLY QA 1 93 LEU H 3.000 . 4.000 2.735 2.484 2.969 . 0 0 "[ . 1 . 2 . ]" 1
1263 1 92 GLY HA3 1 93 LEU MD2 4.000 . 5.000 3.069 2.541 3.999 . 0 0 "[ . 1 . 2 . ]" 1
1264 1 92 GLY HA2 1 93 LEU MD2 4.000 . 5.000 4.244 3.683 5.051 0.051 7 0 "[ . 1 . 2 . ]" 1
1265 1 93 LEU H 1 94 LEU H 4.000 . 5.000 4.525 4.431 4.610 . 0 0 "[ . 1 . 2 . ]" 1
1266 1 93 LEU HA 1 94 LEU H 2.500 . 2.700 2.200 2.078 2.328 . 0 0 "[ . 1 . 2 . ]" 1
1267 1 93 LEU HA 1 94 LEU QB 4.000 . 5.000 4.054 3.954 4.191 . 0 0 "[ . 1 . 2 . ]" 1
1268 1 93 LEU HB2 1 94 LEU H 4.000 . 5.000 3.841 3.492 4.059 . 0 0 "[ . 1 . 2 . ]" 1
1269 1 93 LEU HG 1 94 LEU H 4.000 . 5.000 4.947 4.729 5.056 0.056 13 0 "[ . 1 . 2 . ]" 1
1270 1 93 LEU MD2 1 94 LEU H 4.000 . 5.000 4.540 3.452 4.994 . 0 0 "[ . 1 . 2 . ]" 1
1271 1 93 LEU H 1 95 HIS HD2 4.000 . 5.000 4.642 4.072 5.089 0.089 7 0 "[ . 1 . 2 . ]" 1
1272 1 94 LEU H 1 95 HIS H 4.000 . 5.000 4.570 4.414 4.626 . 0 0 "[ . 1 . 2 . ]" 1
1273 1 94 LEU HA 1 95 HIS H 2.500 . 2.700 2.279 2.112 2.353 . 0 0 "[ . 1 . 2 . ]" 1
1274 1 94 LEU QB 1 95 HIS H 4.000 . 5.000 3.415 3.313 3.894 . 0 0 "[ . 1 . 2 . ]" 1
1275 1 94 LEU HG 1 95 HIS H 4.000 . 5.000 2.417 2.042 4.100 . 0 0 "[ . 1 . 2 . ]" 1
1276 1 94 LEU MD1 1 95 HIS H 4.000 . 5.000 2.036 1.690 3.028 0.110 27 0 "[ . 1 . 2 . ]" 1
1277 1 95 HIS HA 1 96 ILE H 2.500 . 2.700 2.176 2.114 2.248 . 0 0 "[ . 1 . 2 . ]" 1
1278 1 95 HIS HA 1 96 ILE MD 2.500 . 2.700 2.537 2.194 2.822 0.122 29 0 "[ . 1 . 2 . ]" 1
1279 1 95 HIS QB 1 96 ILE H 4.000 . 5.000 2.928 2.651 3.076 . 0 0 "[ . 1 . 2 . ]" 1
1280 1 96 ILE H 1 97 THR H 4.000 . 5.000 4.401 4.340 4.458 . 0 0 "[ . 1 . 2 . ]" 1
1281 1 96 ILE HA 1 97 THR H 2.500 . 3.000 2.319 2.131 2.513 . 0 0 "[ . 1 . 2 . ]" 1
1282 1 96 ILE HB 1 97 THR H 4.000 . 5.000 2.693 2.070 3.522 . 0 0 "[ . 1 . 2 . ]" 1
1283 1 96 ILE QG 1 97 THR H 4.000 . 5.000 4.011 3.074 4.712 . 0 0 "[ . 1 . 2 . ]" 1
1284 1 96 ILE MG 1 97 THR H 4.000 . 5.000 3.099 2.304 3.754 . 0 0 "[ . 1 . 2 . ]" 1
1285 1 96 ILE MD 1 97 THR H 4.000 . 5.000 4.472 3.848 4.695 . 0 0 "[ . 1 . 2 . ]" 1
1286 1 96 ILE HB 1 102 VAL MG2 4.000 . 5.000 3.202 2.146 4.273 . 0 0 "[ . 1 . 2 . ]" 1
1287 1 96 ILE MD 1 102 VAL MG1 4.000 . 5.000 4.648 3.741 5.075 0.075 29 0 "[ . 1 . 2 . ]" 1
1288 1 96 ILE MD 1 102 VAL MG2 4.000 . 5.000 4.501 3.767 5.005 0.005 23 0 "[ . 1 . 2 . ]" 1
1289 1 97 THR HA 1 98 THR H 3.000 . 4.000 2.286 2.129 2.886 . 0 0 "[ . 1 . 2 . ]" 1
1290 1 97 THR HB 1 98 THR H 4.000 . 5.000 2.811 1.713 3.913 0.087 26 0 "[ . 1 . 2 . ]" 1
1291 1 97 THR HB 1 98 THR MG 4.000 . 5.000 4.134 3.409 4.999 . 0 0 "[ . 1 . 2 . ]" 1
1292 1 97 THR MG 1 98 THR H 4.000 . 5.000 3.644 2.178 4.095 . 0 0 "[ . 1 . 2 . ]" 1
1293 1 97 THR HB 1 100 SER QB 4.000 . 5.000 3.945 3.179 4.377 . 0 0 "[ . 1 . 2 . ]" 1
1294 1 97 THR H 1 100 SER H 4.000 . 5.000 3.945 3.281 4.537 . 0 0 "[ . 1 . 2 . ]" 1
1295 1 97 THR H 1 100 SER QB 4.000 . 5.000 2.258 1.945 2.734 . 0 0 "[ . 1 . 2 . ]" 1
1296 1 97 THR HA 1 99 CYS H 4.000 . 5.000 3.750 3.623 3.887 . 0 0 "[ . 1 . 2 . ]" 1
1297 1 97 THR HB 1 99 CYS H 4.000 . 5.000 2.514 1.855 4.009 . 0 0 "[ . 1 . 2 . ]" 1
1298 1 97 THR HB 1 100 SER H 5.000 . 6.000 4.241 2.761 5.432 . 0 0 "[ . 1 . 2 . ]" 1
1299 1 97 THR MG 1 99 CYS H 4.000 . 5.000 3.904 1.850 4.171 . 0 0 "[ . 1 . 2 . ]" 1
1300 1 98 THR H 1 99 CYS H 3.000 . 4.000 2.697 1.535 2.879 0.265 26 0 "[ . 1 . 2 . ]" 1
1301 1 98 THR MG 1 99 CYS H 4.000 . 5.000 3.676 2.951 4.146 . 0 0 "[ . 1 . 2 . ]" 1
1302 1 98 THR H 1 100 SER QB 4.000 . 5.000 4.892 4.637 5.034 0.034 27 0 "[ . 1 . 2 . ]" 1
1303 1 98 THR HA 1 100 SER H 4.000 . 5.000 3.469 3.203 4.333 . 0 0 "[ . 1 . 2 . ]" 1
1304 1 98 THR MG 1 100 SER H 4.000 . 5.000 4.977 4.700 5.112 0.112 14 0 "[ . 1 . 2 . ]" 1
1305 1 99 CYS H 1 100 SER H 2.500 . 3.000 2.335 2.031 2.635 . 0 0 "[ . 1 . 2 . ]" 1
1306 1 99 CYS HA 1 100 SER H 2.500 . 3.000 2.960 2.840 3.366 0.366 26 0 "[ . 1 . 2 . ]" 1
1307 1 99 CYS HB3 1 100 SER H 4.000 . 5.000 4.135 3.506 4.411 . 0 0 "[ . 1 . 2 . ]" 1
1308 1 99 CYS HB2 1 100 SER H 4.000 . 5.000 4.280 3.342 4.624 . 0 0 "[ . 1 . 2 . ]" 1
1309 1 100 SER HA 1 101 PHE H 2.500 . 2.700 2.400 2.301 2.487 . 0 0 "[ . 1 . 2 . ]" 1
1310 1 100 SER HA 1 101 PHE HB2 4.000 . 5.000 4.543 4.426 4.747 . 0 0 "[ . 1 . 2 . ]" 1
1311 1 100 SER QB 1 101 PHE H 4.000 . 5.000 3.038 2.612 3.464 . 0 0 "[ . 1 . 2 . ]" 1
1312 1 100 SER H 1 102 VAL MG2 4.000 . 5.000 3.602 3.362 4.024 . 0 0 "[ . 1 . 2 . ]" 1
1313 1 100 SER QB 1 102 VAL MG1 4.000 . 5.000 4.654 4.363 5.030 0.030 17 0 "[ . 1 . 2 . ]" 1
1314 1 100 SER QB 1 102 VAL MG2 4.000 . 5.000 2.382 2.102 2.948 . 0 0 "[ . 1 . 2 . ]" 1
1315 1 101 PHE H 1 102 VAL H 4.000 . 5.000 4.366 4.334 4.427 . 0 0 "[ . 1 . 2 . ]" 1
1316 1 101 PHE HA 1 102 VAL H 2.500 . 2.700 2.214 2.164 2.251 . 0 0 "[ . 1 . 2 . ]" 1
1317 1 101 PHE HB2 1 102 VAL H 4.000 . 5.000 4.530 4.461 4.577 . 0 0 "[ . 1 . 2 . ]" 1
1318 1 101 PHE QD 1 103 ALA H 4.000 . 5.000 3.621 3.375 4.362 . 0 0 "[ . 1 . 2 . ]" 1
1319 1 101 PHE QD 1 103 ALA MB 4.000 . 5.000 4.255 3.569 4.588 . 0 0 "[ . 1 . 2 . ]" 1
1320 1 101 PHE QD 1 108 LEU MD1 5.000 . 6.000 4.817 4.364 5.210 . 0 0 "[ . 1 . 2 . ]" 1
1321 1 101 PHE QD 1 116 PHE HZ 4.000 . 5.000 3.941 2.793 4.454 . 0 0 "[ . 1 . 2 . ]" 1
1322 1 101 PHE QB 1 116 PHE HZ 4.000 . 5.000 4.617 3.918 5.034 0.034 28 0 "[ . 1 . 2 . ]" 1
1323 1 102 VAL H 1 103 ALA H 4.000 . 5.000 3.885 3.819 3.945 . 0 0 "[ . 1 . 2 . ]" 1
1324 1 102 VAL HA 1 103 ALA H 2.500 . 2.700 2.188 2.141 2.217 . 0 0 "[ . 1 . 2 . ]" 1
1325 1 102 VAL HB 1 103 ALA H 4.000 . 5.000 4.294 4.163 4.397 . 0 0 "[ . 1 . 2 . ]" 1
1326 1 102 VAL MG1 1 103 ALA H 4.000 . 5.000 3.087 2.864 3.255 . 0 0 "[ . 1 . 2 . ]" 1
1327 1 103 ALA H 1 104 PRO QD 4.000 . 5.000 4.412 4.393 4.435 . 0 0 "[ . 1 . 2 . ]" 1
1328 1 103 ALA HA 1 104 PRO QD 2.500 . 2.700 2.196 2.130 2.276 . 0 0 "[ . 1 . 2 . ]" 1
1329 1 103 ALA MB 1 104 PRO QB 4.000 . 5.000 3.908 3.792 4.003 . 0 0 "[ . 1 . 2 . ]" 1
1330 1 103 ALA MB 1 104 PRO QD 4.000 . 5.000 1.899 1.773 2.047 0.027 29 0 "[ . 1 . 2 . ]" 1
1331 1 104 PRO HA 1 105 TRP H 3.000 . 4.000 2.137 2.101 2.190 . 0 0 "[ . 1 . 2 . ]" 1
1332 1 104 PRO QB 1 105 TRP H 4.000 . 5.000 3.366 3.226 3.464 . 0 0 "[ . 1 . 2 . ]" 1
1333 1 104 PRO QG 1 105 TRP H 4.000 . 5.000 4.679 4.638 4.721 . 0 0 "[ . 1 . 2 . ]" 1
1334 1 104 PRO HA 1 106 ASN H 4.000 . 5.000 3.689 3.569 3.775 . 0 0 "[ . 1 . 2 . ]" 1
1335 1 104 PRO HA 1 106 ASN HA 5.000 . 6.000 6.119 6.046 6.194 0.194 17 0 "[ . 1 . 2 . ]" 1
1336 1 104 PRO QB 1 106 ASN H 4.000 . 5.000 3.213 3.121 3.255 . 0 0 "[ . 1 . 2 . ]" 1
1337 1 104 PRO HB3 1 106 ASN HA 4.000 . 5.000 5.243 5.212 5.289 0.289 18 0 "[ . 1 . 2 . ]" 1
1338 1 104 PRO HB2 1 106 ASN HA 4.000 . 5.000 5.094 5.044 5.130 0.130 27 0 "[ . 1 . 2 . ]" 1
1339 1 104 PRO QB 1 107 SER H 4.000 . 5.000 2.618 1.979 3.299 . 0 0 "[ . 1 . 2 . ]" 1
1340 1 104 PRO QB 1 107 SER HA 4.000 . 5.000 3.976 3.634 4.355 . 0 0 "[ . 1 . 2 . ]" 1
1341 1 104 PRO QB 1 107 SER QB 4.000 . 5.000 2.073 1.806 2.793 . 0 0 "[ . 1 . 2 . ]" 1
1342 1 104 PRO QG 1 107 SER H 5.000 . 6.000 4.641 4.060 5.277 . 0 0 "[ . 1 . 2 . ]" 1
1343 1 104 PRO QG 1 107 SER QB 4.000 . 5.000 3.121 2.547 3.967 . 0 0 "[ . 1 . 2 . ]" 1
1344 1 104 PRO QD 1 107 SER HA 5.000 . 6.000 5.766 5.447 6.007 0.007 28 0 "[ . 1 . 2 . ]" 1
1345 1 104 PRO QD 1 107 SER QB 4.000 . 5.000 3.045 2.734 3.354 . 0 0 "[ . 1 . 2 . ]" 1
1346 1 105 TRP HA 1 106 ASN H 3.000 . 4.000 3.455 3.416 3.501 . 0 0 "[ . 1 . 2 . ]" 1
1347 1 105 TRP QB 1 106 ASN H 4.000 . 5.000 1.979 1.887 2.144 . 0 0 "[ . 1 . 2 . ]" 1
1348 1 105 TRP HB2 1 106 ASN HA 4.000 . 5.000 5.249 5.192 5.306 0.306 29 0 "[ . 1 . 2 . ]" 1
1349 1 105 TRP HD1 1 106 ASN H 4.000 . 5.000 3.836 3.702 4.023 . 0 0 "[ . 1 . 2 . ]" 1
1350 1 105 TRP HE1 1 106 ASN H 5.000 . 6.000 6.113 6.027 6.222 0.222 12 0 "[ . 1 . 2 . ]" 1
1351 1 105 TRP HA 1 107 SER H 4.000 . 5.000 3.637 3.402 3.978 . 0 0 "[ . 1 . 2 . ]" 1
1352 1 105 TRP HA 1 107 SER QB 4.000 . 5.000 4.954 4.769 5.081 0.081 18 0 "[ . 1 . 2 . ]" 1
1353 1 105 TRP HA 1 108 LEU H 4.000 . 5.000 3.685 3.333 3.970 . 0 0 "[ . 1 . 2 . ]" 1
1354 1 105 TRP HA 1 108 LEU HG 4.000 . 5.000 4.503 3.710 4.989 . 0 0 "[ . 1 . 2 . ]" 1
1355 1 105 TRP HA 1 108 LEU MD1 4.000 . 5.000 2.617 1.757 4.196 0.043 9 0 "[ . 1 . 2 . ]" 1
1356 1 105 TRP HE3 1 108 LEU MD1 5.000 . 6.000 3.467 2.510 4.497 . 0 0 "[ . 1 . 2 . ]" 1
1357 1 105 TRP HH2 1 108 LEU HB3 5.000 . 6.000 5.550 5.339 6.023 0.023 8 0 "[ . 1 . 2 . ]" 1
1358 1 105 TRP HH2 1 108 LEU HB2 5.000 . 6.000 5.945 5.786 6.169 0.169 8 0 "[ . 1 . 2 . ]" 1
1359 1 105 TRP HZ2 1 108 LEU MD2 4.000 . 5.000 4.749 4.282 5.229 0.229 8 0 "[ . 1 . 2 . ]" 1
1360 1 105 TRP HZ3 1 108 LEU MD1 5.000 . 6.000 4.454 3.830 5.355 . 0 0 "[ . 1 . 2 . ]" 1
1361 1 105 TRP HZ3 1 108 LEU MD2 4.000 . 5.000 2.621 2.277 3.452 . 0 0 "[ . 1 . 2 . ]" 1
1362 1 105 TRP HB3 1 113 ARG QD 4.000 . 5.000 4.517 4.247 4.816 . 0 0 "[ . 1 . 2 . ]" 1
1363 1 105 TRP HB2 1 113 ARG QD 4.000 . 5.000 5.103 5.020 5.229 0.229 2 0 "[ . 1 . 2 . ]" 1
1364 1 105 TRP HD1 1 113 ARG QG 4.000 . 5.000 3.899 3.471 4.912 . 0 0 "[ . 1 . 2 . ]" 1
1365 1 105 TRP HD1 1 113 ARG QD 4.000 . 5.000 3.605 2.744 4.402 . 0 0 "[ . 1 . 2 . ]" 1
1366 1 105 TRP HE1 1 113 ARG QD 4.000 . 5.000 3.295 2.128 4.302 . 0 0 "[ . 1 . 2 . ]" 1
1367 1 105 TRP HE3 1 113 ARG HA 4.000 . 5.000 4.751 4.414 5.087 0.087 2 0 "[ . 1 . 2 . ]" 1
1368 1 105 TRP HE3 1 113 ARG QD 5.000 . 6.000 4.716 4.376 5.151 . 0 0 "[ . 1 . 2 . ]" 1
1369 1 105 TRP HH2 1 113 ARG HA 4.000 . 5.000 2.779 2.462 3.171 . 0 0 "[ . 1 . 2 . ]" 1
1370 1 105 TRP HH2 1 113 ARG QD 4.000 . 5.000 5.087 4.819 5.187 0.187 6 0 "[ . 1 . 2 . ]" 1
1371 1 105 TRP HH2 1 116 PHE HA 4.000 . 5.000 4.546 4.266 4.860 . 0 0 "[ . 1 . 2 . ]" 1
1372 1 105 TRP HH2 1 116 PHE QB 4.000 . 5.000 1.894 1.695 2.284 0.105 21 0 "[ . 1 . 2 . ]" 1
1373 1 105 TRP HH2 1 117 THR H 4.000 . 5.000 2.962 2.022 3.692 . 0 0 "[ . 1 . 2 . ]" 1
1374 1 105 TRP HH2 1 117 THR HB 4.000 . 5.000 3.256 2.689 3.672 . 0 0 "[ . 1 . 2 . ]" 1
1375 1 105 TRP HH2 1 117 THR MG 4.000 . 5.000 4.493 3.764 5.069 0.069 23 0 "[ . 1 . 2 . ]" 1
1376 1 105 TRP HZ2 1 113 ARG HA 4.000 . 5.000 2.870 2.302 3.637 . 0 0 "[ . 1 . 2 . ]" 1
1377 1 105 TRP HZ2 1 113 ARG QB 4.000 . 5.000 3.176 2.226 3.729 . 0 0 "[ . 1 . 2 . ]" 1
1378 1 105 TRP HZ2 1 113 ARG QD 4.000 . 5.000 4.085 3.611 4.604 . 0 0 "[ . 1 . 2 . ]" 1
1379 1 105 TRP HZ3 1 113 ARG HA 4.000 . 5.000 3.837 3.339 4.263 . 0 0 "[ . 1 . 2 . ]" 1
1380 1 105 TRP HZ3 1 116 PHE HA 4.000 . 5.000 5.004 4.848 5.104 0.104 14 0 "[ . 1 . 2 . ]" 1
1381 1 105 TRP HZ3 1 116 PHE QB 4.000 . 5.000 2.216 1.870 2.383 . 0 0 "[ . 1 . 2 . ]" 1
1382 1 106 ASN H 1 107 SER H 3.000 . 4.000 3.026 2.900 3.215 . 0 0 "[ . 1 . 2 . ]" 1
1383 1 106 ASN HA 1 107 SER H 4.000 . 5.000 3.195 2.891 3.474 . 0 0 "[ . 1 . 2 . ]" 1
1384 1 106 ASN HB3 1 107 SER H 4.000 . 5.000 4.153 3.727 4.429 . 0 0 "[ . 1 . 2 . ]" 1
1385 1 106 ASN HB2 1 107 SER H 4.000 . 5.000 3.660 3.132 4.079 . 0 0 "[ . 1 . 2 . ]" 1
1386 1 106 ASN H 1 108 LEU H 5.000 . 6.000 4.294 4.117 4.520 . 0 0 "[ . 1 . 2 . ]" 1
1387 1 106 ASN HA 1 108 LEU HB3 5.000 . 6.000 6.010 5.774 6.124 0.124 14 0 "[ . 1 . 2 . ]" 1
1388 1 106 ASN HA 1 108 LEU MD2 5.000 . 6.000 5.697 4.585 6.205 0.205 8 0 "[ . 1 . 2 . ]" 1
1389 1 107 SER H 1 108 LEU H 2.500 . 3.000 1.936 1.579 2.405 0.221 8 0 "[ . 1 . 2 . ]" 1
1390 1 107 SER HA 1 108 LEU H 4.000 . 5.000 3.194 3.089 3.286 . 0 0 "[ . 1 . 2 . ]" 1
1391 1 107 SER HA 1 108 LEU HB2 4.000 . 5.000 5.222 5.145 5.322 0.322 19 0 "[ . 1 . 2 . ]" 1
1392 1 107 SER HB3 1 108 LEU H 4.000 . 5.000 3.592 3.053 4.237 . 0 0 "[ . 1 . 2 . ]" 1
1393 1 107 SER HB2 1 108 LEU H 4.000 . 5.000 3.863 3.237 4.279 . 0 0 "[ . 1 . 2 . ]" 1
1394 1 108 LEU H 1 109 SER H 4.000 . 5.000 4.493 4.401 4.599 . 0 0 "[ . 1 . 2 . ]" 1
1395 1 108 LEU HA 1 109 SER H 3.000 . 4.000 2.271 2.127 2.526 . 0 0 "[ . 1 . 2 . ]" 1
1396 1 108 LEU HB3 1 109 SER H 4.000 . 5.000 2.461 1.903 2.855 . 0 0 "[ . 1 . 2 . ]" 1
1397 1 108 LEU HB2 1 109 SER H 4.000 . 5.000 3.785 3.387 4.046 . 0 0 "[ . 1 . 2 . ]" 1
1398 1 108 LEU HG 1 109 SER H 5.000 . 6.000 3.340 2.996 4.165 . 0 0 "[ . 1 . 2 . ]" 1
1399 1 108 LEU MD1 1 109 SER H 4.000 . 5.000 3.845 2.146 4.429 . 0 0 "[ . 1 . 2 . ]" 1
1400 1 108 LEU MD2 1 109 SER H 4.000 . 5.000 3.968 3.198 4.716 . 0 0 "[ . 1 . 2 . ]" 1
1401 1 108 LEU H 1 113 ARG QG 5.000 . 6.000 4.819 3.706 5.727 . 0 0 "[ . 1 . 2 . ]" 1
1402 1 108 LEU H 1 113 ARG QD 4.000 . 5.000 3.737 2.922 4.839 . 0 0 "[ . 1 . 2 . ]" 1
1403 1 108 LEU HB3 1 112 GLN QB 4.000 . 5.000 3.274 2.209 4.353 . 0 0 "[ . 1 . 2 . ]" 1
1404 1 108 LEU HB3 1 112 GLN QG 4.000 . 5.000 3.543 2.357 3.820 . 0 0 "[ . 1 . 2 . ]" 1
1405 1 108 LEU HB2 1 112 GLN QG 4.000 . 5.000 4.933 3.824 5.271 0.271 24 0 "[ . 1 . 2 . ]" 1
1406 1 108 LEU HG 1 112 GLN QB 4.000 . 5.000 3.918 3.278 4.837 . 0 0 "[ . 1 . 2 . ]" 1
1407 1 108 LEU MD1 1 112 GLN QB 4.000 . 5.000 4.604 2.735 5.300 0.300 8 0 "[ . 1 . 2 . ]" 1
1408 1 108 LEU MD1 1 113 ARG QG 4.000 . 5.000 4.778 3.908 5.155 0.155 18 0 "[ . 1 . 2 . ]" 1
1409 1 108 LEU MD1 1 116 PHE QD 4.000 . 5.000 4.602 3.025 5.100 0.100 14 0 "[ . 1 . 2 . ]" 1
1410 1 108 LEU MD1 1 116 PHE QE 5.000 . 6.000 4.078 1.945 4.937 . 0 0 "[ . 1 . 2 . ]" 1
1411 1 108 LEU MD1 1 116 PHE HZ 5.000 . 6.000 5.065 3.712 5.929 . 0 0 "[ . 1 . 2 . ]" 1
1412 1 108 LEU MD2 1 116 PHE HZ 5.000 . 6.000 4.231 3.326 5.417 . 0 0 "[ . 1 . 2 . ]" 1
1413 1 108 LEU HB2 1 113 ARG QG 4.000 . 5.000 3.423 2.319 4.353 . 0 0 "[ . 1 . 2 . ]" 1
1414 1 108 LEU HB2 1 113 ARG QD 4.000 . 5.000 2.687 1.810 3.954 . 0 0 "[ . 1 . 2 . ]" 1
1415 1 108 LEU MD2 1 112 GLN QB 4.000 . 5.000 3.863 2.095 5.051 0.051 26 0 "[ . 1 . 2 . ]" 1
1416 1 108 LEU MD2 1 112 GLN QG 4.000 . 5.000 3.099 1.893 4.275 . 0 0 "[ . 1 . 2 . ]" 1
1417 1 109 SER H 1 110 LEU H 4.000 . 5.000 4.396 4.249 4.520 . 0 0 "[ . 1 . 2 . ]" 1
1418 1 109 SER HA 1 110 LEU H 2.200 . 2.700 2.051 1.973 2.167 . 0 0 "[ . 1 . 2 . ]" 1
1419 1 109 SER HA 1 110 LEU HG 4.000 . 5.000 5.319 5.204 5.491 0.491 2 0 "[ . 1 . 2 . ]" 1
1420 1 109 SER HB3 1 110 LEU H 3.000 . 4.000 3.207 2.447 3.773 . 0 0 "[ . 1 . 2 . ]" 1
1421 1 109 SER HB2 1 110 LEU H 3.000 . 4.000 3.806 3.344 4.076 0.076 4 0 "[ . 1 . 2 . ]" 1
1422 1 109 SER H 1 111 ALA H 4.000 . 5.000 5.014 4.854 5.140 0.140 15 0 "[ . 1 . 2 . ]" 1
1423 1 109 SER H 1 112 GLN H 4.000 . 5.000 3.818 3.578 4.039 . 0 0 "[ . 1 . 2 . ]" 1
1424 1 109 SER H 1 112 GLN QG 3.000 . 4.000 3.339 1.719 3.844 0.081 27 0 "[ . 1 . 2 . ]" 1
1425 1 109 SER H 1 113 ARG QB 4.000 . 5.000 4.922 4.395 5.121 0.121 21 0 "[ . 1 . 2 . ]" 1
1426 1 109 SER H 1 113 ARG QG 5.000 . 6.000 5.131 3.294 6.049 0.049 10 0 "[ . 1 . 2 . ]" 1
1427 1 109 SER HA 1 112 GLN H 3.000 . 4.000 3.987 3.900 4.095 0.095 25 0 "[ . 1 . 2 . ]" 1
1428 1 109 SER HA 1 112 GLN QB 3.000 . 4.000 4.009 3.784 4.236 0.236 27 0 "[ . 1 . 2 . ]" 1
1429 1 109 SER HA 1 113 ARG H 4.000 . 5.000 4.988 4.859 5.166 0.166 11 0 "[ . 1 . 2 . ]" 1
1430 1 109 SER QB 1 111 ALA H 4.000 . 5.000 2.633 2.432 2.754 . 0 0 "[ . 1 . 2 . ]" 1
1431 1 109 SER HB2 1 111 ALA HA 4.000 . 5.000 5.030 4.866 5.118 0.118 5 0 "[ . 1 . 2 . ]" 1
1432 1 109 SER HB2 1 111 ALA MB 4.000 . 5.000 3.358 3.049 3.522 . 0 0 "[ . 1 . 2 . ]" 1
1433 1 109 SER HB3 1 112 GLN H 4.000 . 5.000 3.149 2.983 3.421 . 0 0 "[ . 1 . 2 . ]" 1
1434 1 109 SER HB2 1 112 GLN H 4.000 . 5.000 1.814 1.705 2.033 0.095 1 0 "[ . 1 . 2 . ]" 1
1435 1 109 SER HB3 1 112 GLN QB 4.000 . 5.000 3.437 3.184 4.219 . 0 0 "[ . 1 . 2 . ]" 1
1436 1 109 SER HB2 1 112 GLN QB 4.000 . 5.000 1.952 1.729 2.785 0.071 27 0 "[ . 1 . 2 . ]" 1
1437 1 109 SER HB3 1 113 ARG H 4.000 . 5.000 5.038 4.813 5.218 0.218 12 0 "[ . 1 . 2 . ]" 1
1438 1 109 SER HB2 1 113 ARG H 4.000 . 5.000 3.792 3.572 4.035 . 0 0 "[ . 1 . 2 . ]" 1
1439 1 110 LEU H 1 111 ALA H 2.500 . 3.000 2.772 2.330 3.033 0.033 4 0 "[ . 1 . 2 . ]" 1
1440 1 110 LEU HA 1 111 ALA H 3.000 . 4.000 3.461 3.380 3.527 . 0 0 "[ . 1 . 2 . ]" 1
1441 1 110 LEU HB3 1 111 ALA H 3.000 . 4.000 4.036 3.817 4.146 0.146 14 0 "[ . 1 . 2 . ]" 1
1442 1 110 LEU HB2 1 111 ALA H 3.000 . 4.000 3.694 3.526 4.003 0.003 19 0 "[ . 1 . 2 . ]" 1
1443 1 110 LEU HB3 1 111 ALA MB 4.000 . 5.000 5.210 5.047 5.301 0.301 14 0 "[ . 1 . 2 . ]" 1
1444 1 110 LEU HB2 1 111 ALA MB 4.000 . 5.000 4.522 4.274 4.964 . 0 0 "[ . 1 . 2 . ]" 1
1445 1 110 LEU HG 1 111 ALA H 4.000 . 5.000 3.777 3.481 4.021 . 0 0 "[ . 1 . 2 . ]" 1
1446 1 110 LEU HG 1 111 ALA HA 4.000 . 5.000 5.139 4.905 5.296 0.296 18 0 "[ . 1 . 2 . ]" 1
1447 1 110 LEU HG 1 111 ALA MB 4.000 . 5.000 4.131 3.814 4.368 . 0 0 "[ . 1 . 2 . ]" 1
1448 1 110 LEU MD1 1 111 ALA H 4.000 . 5.000 3.177 1.703 4.049 0.097 21 0 "[ . 1 . 2 . ]" 1
1449 1 110 LEU MD1 1 111 ALA MB 4.000 . 5.000 3.734 1.918 4.635 . 0 0 "[ . 1 . 2 . ]" 1
1450 1 110 LEU MD2 1 111 ALA H 4.000 . 5.000 1.883 1.555 2.677 0.245 23 0 "[ . 1 . 2 . ]" 1
1451 1 110 LEU H 1 112 GLN H 4.000 . 5.000 3.977 3.611 4.193 . 0 0 "[ . 1 . 2 . ]" 1
1452 1 110 LEU H 1 113 ARG QD 4.000 . 5.000 4.219 3.689 4.952 . 0 0 "[ . 1 . 2 . ]" 1
1453 1 110 LEU HA 1 113 ARG H 3.000 . 4.000 3.450 3.281 3.582 . 0 0 "[ . 1 . 2 . ]" 1
1454 1 110 LEU HA 1 113 ARG HA 4.000 . 5.000 4.884 4.593 5.068 0.068 15 0 "[ . 1 . 2 . ]" 1
1455 1 110 LEU HA 1 113 ARG QB 3.000 . 4.000 2.078 1.809 2.287 . 0 0 "[ . 1 . 2 . ]" 1
1456 1 110 LEU HA 1 113 ARG QD 4.000 . 5.000 2.807 2.331 3.213 . 0 0 "[ . 1 . 2 . ]" 1
1457 1 110 LEU HA 1 114 ARG H 4.000 . 5.000 4.355 3.942 4.762 . 0 0 "[ . 1 . 2 . ]" 1
1458 1 110 LEU QB 1 112 GLN H 4.000 . 5.000 4.987 4.909 5.042 0.042 12 0 "[ . 1 . 2 . ]" 1
1459 1 110 LEU QB 1 113 ARG QD 4.000 . 5.000 4.201 3.589 4.627 . 0 0 "[ . 1 . 2 . ]" 1
1460 1 110 LEU MD1 1 113 ARG QD 4.000 . 5.000 4.943 4.627 5.097 0.097 12 0 "[ . 1 . 2 . ]" 1
1461 1 110 LEU MD2 1 113 ARG H 4.000 . 5.000 4.218 4.078 4.391 . 0 0 "[ . 1 . 2 . ]" 1
1462 1 110 LEU MD2 1 113 ARG QD 4.000 . 5.000 5.139 5.024 5.308 0.308 19 0 "[ . 1 . 2 . ]" 1
1463 1 110 LEU MD2 1 114 ARG H 4.000 . 5.000 4.872 4.255 5.146 0.146 29 0 "[ . 1 . 2 . ]" 1
1464 1 111 ALA H 1 112 GLN H 2.500 . 3.000 2.223 2.163 2.285 . 0 0 "[ . 1 . 2 . ]" 1
1465 1 111 ALA HA 1 112 GLN H 3.000 . 4.000 3.486 3.414 3.547 . 0 0 "[ . 1 . 2 . ]" 1
1466 1 111 ALA MB 1 112 GLN H 3.000 . 4.000 2.725 2.537 2.980 . 0 0 "[ . 1 . 2 . ]" 1
1467 1 111 ALA MB 1 112 GLN HA 4.000 . 5.000 3.863 3.818 3.999 . 0 0 "[ . 1 . 2 . ]" 1
1468 1 111 ALA MB 1 112 GLN QB 4.000 . 5.000 3.702 3.469 4.573 . 0 0 "[ . 1 . 2 . ]" 1
1469 1 111 ALA MB 1 112 GLN QG 4.000 . 5.000 4.860 3.130 5.152 0.152 16 0 "[ . 1 . 2 . ]" 1
1470 1 111 ALA H 1 113 ARG H 4.000 . 5.000 3.317 3.171 3.434 . 0 0 "[ . 1 . 2 . ]" 1
1471 1 111 ALA HA 1 113 ARG HA 5.000 . 6.000 6.201 6.088 6.279 0.279 18 0 "[ . 1 . 2 . ]" 1
1472 1 111 ALA HA 1 114 ARG H 3.000 . 4.000 3.125 2.887 3.294 . 0 0 "[ . 1 . 2 . ]" 1
1473 1 111 ALA HA 1 114 ARG QB 3.000 . 4.000 3.204 1.908 3.914 . 0 0 "[ . 1 . 2 . ]" 1
1474 1 111 ALA HA 1 114 ARG HG3 4.000 . 5.000 3.204 2.372 4.872 . 0 0 "[ . 1 . 2 . ]" 1
1475 1 111 ALA HA 1 114 ARG HG2 4.000 . 5.000 3.662 2.754 5.085 0.085 16 0 "[ . 1 . 2 . ]" 1
1476 1 111 ALA HA 1 114 ARG QD 4.000 . 5.000 4.725 3.825 4.987 . 0 0 "[ . 1 . 2 . ]" 1
1477 1 111 ALA HA 1 115 GLY H 4.000 . 5.000 3.785 3.409 4.114 . 0 0 "[ . 1 . 2 . ]" 1
1478 1 111 ALA MB 1 114 ARG QB 4.000 . 5.000 4.396 3.231 4.926 . 0 0 "[ . 1 . 2 . ]" 1
1479 1 111 ALA MB 1 114 ARG QG 5.000 . 6.000 3.784 3.265 4.850 . 0 0 "[ . 1 . 2 . ]" 1
1480 1 111 ALA MB 1 114 ARG QD 4.000 . 5.000 5.006 4.738 5.335 0.335 24 0 "[ . 1 . 2 . ]" 1
1481 1 111 ALA MB 1 115 GLY H 4.000 . 5.000 4.205 3.802 4.347 . 0 0 "[ . 1 . 2 . ]" 1
1482 1 111 ALA MB 1 115 GLY QA 4.000 . 5.000 4.717 4.384 4.931 . 0 0 "[ . 1 . 2 . ]" 1
1483 1 112 GLN H 1 113 ARG H 2.500 . 3.000 2.255 2.128 2.328 . 0 0 "[ . 1 . 2 . ]" 1
1484 1 112 GLN HA 1 113 ARG H 3.000 . 4.000 3.227 3.178 3.327 . 0 0 "[ . 1 . 2 . ]" 1
1485 1 112 GLN HA 1 113 ARG QB 4.000 . 5.000 5.032 4.934 5.114 0.114 14 0 "[ . 1 . 2 . ]" 1
1486 1 112 GLN QB 1 113 ARG H 4.000 . 5.000 3.284 3.022 3.588 . 0 0 "[ . 1 . 2 . ]" 1
1487 1 112 GLN QG 1 113 ARG H 4.000 . 5.000 4.126 3.422 4.565 . 0 0 "[ . 1 . 2 . ]" 1
1488 1 112 GLN H 1 114 ARG H 4.000 . 5.000 3.839 3.487 4.056 . 0 0 "[ . 1 . 2 . ]" 1
1489 1 112 GLN HA 1 114 ARG H 4.000 . 5.000 3.901 3.597 4.243 . 0 0 "[ . 1 . 2 . ]" 1
1490 1 112 GLN HA 1 114 ARG HA 5.000 . 6.000 5.880 5.674 6.033 0.033 6 0 "[ . 1 . 2 . ]" 1
1491 1 112 GLN HA 1 115 GLY H 3.000 . 4.000 2.855 2.444 3.122 . 0 0 "[ . 1 . 2 . ]" 1
1492 1 112 GLN QB 1 115 GLY QA 4.000 . 5.000 4.568 3.921 4.937 . 0 0 "[ . 1 . 2 . ]" 1
1493 1 112 GLN H 1 120 TYR QE 5.000 . 6.000 5.318 4.565 6.247 0.247 20 0 "[ . 1 . 2 . ]" 1
1494 1 113 ARG H 1 114 ARG H 2.500 . 3.000 2.075 1.862 2.279 . 0 0 "[ . 1 . 2 . ]" 1
1495 1 113 ARG HA 1 114 ARG H 3.000 . 4.000 3.530 3.451 3.584 . 0 0 "[ . 1 . 2 . ]" 1
1496 1 113 ARG QB 1 114 ARG H 3.000 . 4.000 2.660 2.482 2.858 . 0 0 "[ . 1 . 2 . ]" 1
1497 1 113 ARG QD 1 114 ARG H 4.000 . 5.000 4.909 4.713 5.056 0.056 6 0 "[ . 1 . 2 . ]" 1
1498 1 113 ARG H 1 115 GLY H 4.000 . 5.000 3.542 2.974 3.752 . 0 0 "[ . 1 . 2 . ]" 1
1499 1 113 ARG H 1 116 PHE QD 4.000 . 5.000 4.978 4.775 5.096 0.096 18 0 "[ . 1 . 2 . ]" 1
1500 1 113 ARG HA 1 115 GLY H 4.000 . 5.000 4.814 4.103 5.105 0.105 19 0 "[ . 1 . 2 . ]" 1
1501 1 113 ARG HA 1 116 PHE H 3.000 . 4.000 3.839 3.472 4.134 0.134 24 0 "[ . 1 . 2 . ]" 1
1502 1 113 ARG HA 1 116 PHE QB 3.000 . 4.000 3.486 3.036 4.073 0.073 11 0 "[ . 1 . 2 . ]" 1
1503 1 113 ARG HA 1 116 PHE QD 4.000 . 5.000 3.859 2.990 4.605 . 0 0 "[ . 1 . 2 . ]" 1
1504 1 113 ARG HA 1 117 THR H 4.000 . 5.000 4.696 4.166 5.150 0.150 20 0 "[ . 1 . 2 . ]" 1
1505 1 113 ARG HA 1 117 THR HB 4.000 . 5.000 4.949 4.505 5.141 0.141 3 0 "[ . 1 . 2 . ]" 1
1506 1 114 ARG H 1 115 GLY H 2.500 . 3.000 2.468 2.075 2.610 . 0 0 "[ . 1 . 2 . ]" 1
1507 1 114 ARG HA 1 115 GLY H 3.000 . 4.000 3.531 3.402 3.568 . 0 0 "[ . 1 . 2 . ]" 1
1508 1 114 ARG QB 1 115 GLY H 3.000 . 4.000 2.961 1.952 3.389 . 0 0 "[ . 1 . 2 . ]" 1
1509 1 114 ARG QG 1 115 GLY H 4.000 . 5.000 2.424 1.724 4.398 0.076 2 0 "[ . 1 . 2 . ]" 1
1510 1 114 ARG H 1 116 PHE H 4.000 . 5.000 4.097 3.895 4.441 . 0 0 "[ . 1 . 2 . ]" 1
1511 1 114 ARG HA 1 117 THR H 3.000 . 4.000 3.454 3.052 4.052 0.052 24 0 "[ . 1 . 2 . ]" 1
1512 1 114 ARG HA 1 117 THR HB 3.000 . 4.000 2.986 2.559 3.395 . 0 0 "[ . 1 . 2 . ]" 1
1513 1 114 ARG HA 1 118 LYS H 4.000 . 5.000 4.295 3.924 4.722 . 0 0 "[ . 1 . 2 . ]" 1
1514 1 114 ARG HA 1 118 LYS QB 4.000 . 5.000 4.411 3.648 5.140 0.140 27 0 "[ . 1 . 2 . ]" 1
1515 1 114 ARG QB 1 116 PHE H 4.000 . 5.000 4.976 4.470 5.233 0.233 22 0 "[ . 1 . 2 . ]" 1
1516 1 114 ARG QB 1 117 THR H 4.000 . 5.000 4.775 4.358 5.144 0.144 24 0 "[ . 1 . 2 . ]" 1
1517 1 114 ARG QB 1 117 THR HB 4.000 . 5.000 4.748 4.237 5.052 0.052 7 0 "[ . 1 . 2 . ]" 1
1518 1 114 ARG QB 1 119 THR MG 4.000 . 5.000 5.130 3.307 5.372 0.372 7 0 "[ . 1 . 2 . ]" 1
1519 1 114 ARG QG 1 117 THR MG 4.000 . 5.000 3.844 2.420 4.490 . 0 0 "[ . 1 . 2 . ]" 1
1520 1 114 ARG QD 1 117 THR HA 5.000 . 6.000 6.144 5.978 6.280 0.280 10 0 "[ . 1 . 2 . ]" 1
1521 1 114 ARG QD 1 117 THR MG 4.000 . 5.000 3.056 2.395 3.431 . 0 0 "[ . 1 . 2 . ]" 1
1522 1 114 ARG QD 1 119 THR MG 4.000 . 5.000 3.488 2.570 5.425 0.425 11 0 "[ . 1 . 2 . ]" 1
1523 1 115 GLY H 1 116 PHE H 2.500 . 3.000 3.039 2.968 3.113 0.113 24 0 "[ . 1 . 2 . ]" 1
1524 1 115 GLY QA 1 116 PHE H 3.000 . 4.000 2.754 2.611 2.847 . 0 0 "[ . 1 . 2 . ]" 1
1525 1 115 GLY H 1 117 THR H 4.000 . 5.000 4.225 3.694 4.762 . 0 0 "[ . 1 . 2 . ]" 1
1526 1 115 GLY H 1 118 LYS QG 4.000 . 5.000 4.466 3.663 5.068 0.068 7 0 "[ . 1 . 2 . ]" 1
1527 1 115 GLY H 1 118 LYS QE 4.000 . 5.000 4.842 3.484 5.120 0.120 16 0 "[ . 1 . 2 . ]" 1
1528 1 115 GLY H 1 119 THR MG 5.000 . 6.000 4.561 3.303 5.308 . 0 0 "[ . 1 . 2 . ]" 1
1529 1 115 GLY QA 1 118 LYS H 3.000 . 4.000 3.141 2.649 3.642 . 0 0 "[ . 1 . 2 . ]" 1
1530 1 115 GLY QA 1 118 LYS QB 3.000 . 4.000 4.077 3.772 4.355 0.355 13 0 "[ . 1 . 2 . ]" 1
1531 1 115 GLY QA 1 118 LYS QG 4.000 . 5.000 2.732 1.913 3.560 . 0 0 "[ . 1 . 2 . ]" 1
1532 1 115 GLY QA 1 119 THR H 4.000 . 5.000 2.090 1.746 2.476 0.054 20 0 "[ . 1 . 2 . ]" 1
1533 1 115 GLY QA 1 119 THR HA 4.000 . 5.000 3.863 3.552 4.171 . 0 0 "[ . 1 . 2 . ]" 1
1534 1 115 GLY QA 1 119 THR HB 4.000 . 5.000 2.599 2.046 3.422 . 0 0 "[ . 1 . 2 . ]" 1
1535 1 115 GLY QA 1 119 THR MG 4.000 . 5.000 2.679 1.573 3.270 0.227 11 0 "[ . 1 . 2 . ]" 1
1536 1 115 GLY QA 1 120 TYR H 4.000 . 5.000 3.653 3.245 4.081 . 0 0 "[ . 1 . 2 . ]" 1
1537 1 116 PHE H 1 117 THR H 2.500 . 3.000 2.554 2.347 2.852 . 0 0 "[ . 1 . 2 . ]" 1
1538 1 116 PHE HA 1 117 THR H 3.000 . 4.000 3.394 3.270 3.518 . 0 0 "[ . 1 . 2 . ]" 1
1539 1 116 PHE QB 1 117 THR H 3.000 . 4.000 2.835 2.257 3.270 . 0 0 "[ . 1 . 2 . ]" 1
1540 1 116 PHE QB 1 117 THR MG 4.000 . 5.000 4.768 4.333 5.056 0.056 20 0 "[ . 1 . 2 . ]" 1
1541 1 116 PHE QD 1 117 THR H 4.000 . 5.000 4.510 4.105 4.889 . 0 0 "[ . 1 . 2 . ]" 1
1542 1 116 PHE H 1 118 LYS H 4.000 . 5.000 3.877 3.684 4.058 . 0 0 "[ . 1 . 2 . ]" 1
1543 1 116 PHE H 1 118 LYS QG 5.000 . 6.000 5.410 4.393 6.014 0.014 11 0 "[ . 1 . 2 . ]" 1
1544 1 116 PHE H 1 120 TYR H 4.000 . 5.000 4.676 4.456 4.963 . 0 0 "[ . 1 . 2 . ]" 1
1545 1 116 PHE HA 1 120 TYR QD 4.000 . 5.000 2.514 1.754 3.695 0.046 3 0 "[ . 1 . 2 . ]" 1
1546 1 116 PHE QB 1 120 TYR QD 4.000 . 5.000 3.946 3.290 4.942 . 0 0 "[ . 1 . 2 . ]" 1
1547 1 116 PHE H 1 120 TYR QD 5.000 . 6.000 3.601 2.778 4.594 . 0 0 "[ . 1 . 2 . ]" 1
1548 1 116 PHE H 1 120 TYR QE 4.000 . 5.000 3.438 2.239 4.643 . 0 0 "[ . 1 . 2 . ]" 1
1549 1 116 PHE HA 1 118 LYS HA 5.000 . 6.000 6.040 5.852 6.110 0.110 2 0 "[ . 1 . 2 . ]" 1
1550 1 116 PHE HA 1 119 THR H 3.000 . 4.000 4.157 3.956 4.300 0.300 16 0 "[ . 1 . 2 . ]" 1
1551 1 116 PHE HA 1 119 THR HB 4.000 . 5.000 5.166 5.032 5.465 0.465 11 0 "[ . 1 . 2 . ]" 1
1552 1 116 PHE HA 1 120 TYR HA 4.000 . 5.000 4.965 4.687 5.269 0.269 20 0 "[ . 1 . 2 . ]" 1
1553 1 116 PHE QB 1 120 TYR HB2 5.000 . 6.000 4.422 3.875 5.069 . 0 0 "[ . 1 . 2 . ]" 1
1554 1 117 THR H 1 118 LYS H 2.500 . 3.000 2.453 2.042 3.001 0.001 24 0 "[ . 1 . 2 . ]" 1
1555 1 117 THR HA 1 118 LYS H 3.000 . 4.000 3.438 3.398 3.525 . 0 0 "[ . 1 . 2 . ]" 1
1556 1 117 THR HA 1 118 LYS QB 4.000 . 5.000 4.749 4.643 5.102 0.102 13 0 "[ . 1 . 2 . ]" 1
1557 1 117 THR HB 1 118 LYS H 3.000 . 4.000 3.886 3.546 4.057 0.057 26 0 "[ . 1 . 2 . ]" 1
1558 1 117 THR MG 1 118 LYS H 4.000 . 5.000 2.709 2.389 3.041 . 0 0 "[ . 1 . 2 . ]" 1
1559 1 117 THR MG 1 118 LYS QB 4.000 . 5.000 2.284 1.982 2.766 . 0 0 "[ . 1 . 2 . ]" 1
1560 1 117 THR H 1 119 THR H 4.000 . 5.000 4.006 3.474 4.671 . 0 0 "[ . 1 . 2 . ]" 1
1561 1 117 THR HA 1 119 THR H 5.000 . 6.000 5.347 5.211 5.535 . 0 0 "[ . 1 . 2 . ]" 1
1562 1 118 LYS H 1 119 THR H 2.500 . 3.000 2.002 1.900 2.115 . 0 0 "[ . 1 . 2 . ]" 1
1563 1 118 LYS HA 1 119 THR H 3.000 . 4.000 3.509 3.454 3.552 . 0 0 "[ . 1 . 2 . ]" 1
1564 1 118 LYS HA 1 119 THR HA 4.000 . 5.000 4.667 4.570 4.835 . 0 0 "[ . 1 . 2 . ]" 1
1565 1 118 LYS HB3 1 119 THR H 3.000 . 4.000 3.419 2.910 3.995 . 0 0 "[ . 1 . 2 . ]" 1
1566 1 118 LYS HB2 1 119 THR H 3.000 . 4.000 3.945 3.123 4.088 0.088 11 0 "[ . 1 . 2 . ]" 1
1567 1 118 LYS HB3 1 119 THR MG 4.000 . 5.000 4.887 3.923 5.225 0.225 15 0 "[ . 1 . 2 . ]" 1
1568 1 118 LYS HB2 1 119 THR MG 4.000 . 5.000 4.919 3.768 5.175 0.175 10 0 "[ . 1 . 2 . ]" 1
1569 1 118 LYS QG 1 119 THR H 4.000 . 5.000 2.162 1.807 2.500 . 0 0 "[ . 1 . 2 . ]" 1
1570 1 118 LYS HG3 1 119 THR HA 4.000 . 5.000 3.046 2.538 4.331 . 0 0 "[ . 1 . 2 . ]" 1
1571 1 118 LYS HG2 1 119 THR HA 4.000 . 5.000 3.927 2.895 4.952 . 0 0 "[ . 1 . 2 . ]" 1
1572 1 118 LYS QG 1 119 THR HB 4.000 . 5.000 4.024 3.544 4.603 . 0 0 "[ . 1 . 2 . ]" 1
1573 1 118 LYS QG 1 119 THR MG 4.000 . 5.000 2.564 2.059 3.298 . 0 0 "[ . 1 . 2 . ]" 1
1574 1 118 LYS QD 1 119 THR MG 4.000 . 5.000 3.589 3.000 5.105 0.105 13 0 "[ . 1 . 2 . ]" 1
1575 1 118 LYS QE 1 119 THR MG 4.000 . 5.000 3.065 1.754 4.470 0.046 23 0 "[ . 1 . 2 . ]" 1
1576 1 118 LYS QG 1 120 TYR H 4.000 . 5.000 4.622 4.321 4.848 . 0 0 "[ . 1 . 2 . ]" 1
1577 1 119 THR H 1 120 TYR H 3.000 . 4.000 2.877 2.701 3.115 . 0 0 "[ . 1 . 2 . ]" 1
1578 1 119 THR HA 1 120 TYR H 3.000 . 4.000 3.583 3.497 3.696 . 0 0 "[ . 1 . 2 . ]" 1
1579 1 119 THR HB 1 120 TYR H 3.000 . 4.000 3.304 3.001 3.593 . 0 0 "[ . 1 . 2 . ]" 1
1580 1 119 THR HB 1 120 TYR HB3 4.000 . 5.000 5.311 5.171 5.429 0.429 2 0 "[ . 1 . 2 . ]" 1
1581 1 119 THR HB 1 120 TYR QD 4.000 . 5.000 2.829 1.845 3.889 . 0 0 "[ . 1 . 2 . ]" 1
1582 1 119 THR HB 1 120 TYR QE 4.000 . 5.000 3.346 2.329 4.152 . 0 0 "[ . 1 . 2 . ]" 1
1583 1 119 THR MG 1 120 TYR H 4.000 . 5.000 4.313 4.087 4.471 . 0 0 "[ . 1 . 2 . ]" 1
1584 1 119 THR HA 1 121 THR MG 4.000 . 5.000 4.227 3.485 4.915 . 0 0 "[ . 1 . 2 . ]" 1
1585 1 120 TYR H 1 121 THR H 3.000 . 4.000 2.823 2.505 3.046 . 0 0 "[ . 1 . 2 . ]" 1
1586 1 120 TYR HA 1 121 THR H 3.000 . 4.000 3.120 2.848 3.520 . 0 0 "[ . 1 . 2 . ]" 1
1587 1 120 TYR HB3 1 121 THR H 4.000 . 5.000 4.286 3.709 4.487 . 0 0 "[ . 1 . 2 . ]" 1
1588 1 120 TYR HB2 1 121 THR H 4.000 . 5.000 3.862 2.931 4.104 . 0 0 "[ . 1 . 2 . ]" 1
1589 1 120 TYR QD 1 121 THR H 4.000 . 5.000 4.640 4.203 4.970 . 0 0 "[ . 1 . 2 . ]" 1
1590 1 120 TYR H 1 122 VAL H 4.000 . 5.000 4.590 4.125 5.096 0.096 2 0 "[ . 1 . 2 . ]" 1
1591 1 120 TYR HA 1 122 VAL HB 5.000 . 6.000 5.893 5.503 6.108 0.108 19 0 "[ . 1 . 2 . ]" 1
1592 1 120 TYR HA 1 123 GLY H 4.000 . 5.000 3.062 2.673 3.482 . 0 0 "[ . 1 . 2 . ]" 1
1593 1 121 THR H 1 122 VAL H 2.500 . 3.000 2.101 1.839 3.042 0.042 8 0 "[ . 1 . 2 . ]" 1
1594 1 121 THR H 1 122 VAL MG2 4.000 . 5.000 3.735 3.263 4.338 . 0 0 "[ . 1 . 2 . ]" 1
1595 1 121 THR HA 1 122 VAL H 3.000 . 4.000 3.245 3.127 3.447 . 0 0 "[ . 1 . 2 . ]" 1
1596 1 121 THR HB 1 122 VAL H 4.000 . 5.000 4.063 3.366 4.360 . 0 0 "[ . 1 . 2 . ]" 1
1597 1 121 THR MG 1 122 VAL H 4.000 . 5.000 2.942 1.937 3.318 . 0 0 "[ . 1 . 2 . ]" 1
1598 1 121 THR MG 1 122 VAL HA 4.000 . 5.000 4.900 3.470 5.119 0.119 5 0 "[ . 1 . 2 . ]" 1
1599 1 121 THR MG 1 122 VAL HB 4.000 . 5.000 4.612 3.472 5.006 0.006 8 0 "[ . 1 . 2 . ]" 1
1600 1 121 THR MG 1 122 VAL QG 4.000 . 5.000 2.920 1.830 3.350 . 0 0 "[ . 1 . 2 . ]" 1
1601 1 121 THR HB 1 124 CYS HB3 5.000 . 6.000 5.735 5.341 6.116 0.116 27 0 "[ . 1 . 2 . ]" 1
1602 1 121 THR MG 1 123 GLY H 4.000 . 5.000 4.240 3.328 4.631 . 0 0 "[ . 1 . 2 . ]" 1
1603 1 121 THR MG 1 124 CYS HB3 4.000 . 5.000 5.164 5.067 5.310 0.310 10 0 "[ . 1 . 2 . ]" 1
1604 1 122 VAL H 1 123 GLY H 2.500 . 3.000 1.899 1.774 2.488 0.026 5 0 "[ . 1 . 2 . ]" 1
1605 1 122 VAL HA 1 123 GLY H 3.000 . 4.000 3.465 3.407 3.497 . 0 0 "[ . 1 . 2 . ]" 1
1606 1 122 VAL HB 1 123 GLY H 4.000 . 5.000 2.999 2.849 3.085 . 0 0 "[ . 1 . 2 . ]" 1
1607 1 122 VAL QG 1 123 GLY H 4.000 . 5.000 3.418 3.357 3.445 . 0 0 "[ . 1 . 2 . ]" 1
1608 1 122 VAL MG2 1 123 GLY QA 4.000 . 5.000 4.801 4.735 4.849 . 0 0 "[ . 1 . 2 . ]" 1
1609 1 122 VAL H 1 124 CYS H 4.000 . 5.000 3.458 3.183 4.025 . 0 0 "[ . 1 . 2 . ]" 1
1610 1 122 VAL HA 1 124 CYS H 4.000 . 5.000 4.015 3.779 4.313 . 0 0 "[ . 1 . 2 . ]" 1
1611 1 122 VAL HA 1 124 CYS HB3 5.000 . 6.000 5.483 4.949 6.088 0.088 5 0 "[ . 1 . 2 . ]" 1
1612 1 122 VAL HB 1 124 CYS H 4.000 . 5.000 5.039 4.964 5.131 0.131 3 0 "[ . 1 . 2 . ]" 1
1613 1 122 VAL QG 1 124 CYS H 5.000 . 6.000 4.521 4.390 4.666 . 0 0 "[ . 1 . 2 . ]" 1
1614 1 123 GLY H 1 124 CYS H 2.500 . 3.000 2.453 2.343 2.548 . 0 0 "[ . 1 . 2 . ]" 1
1615 1 123 GLY HA3 1 124 CYS H 3.000 . 4.000 3.434 3.348 3.483 . 0 0 "[ . 1 . 2 . ]" 1
1616 1 123 GLY HA2 1 124 CYS H 3.000 . 4.000 2.872 2.741 3.141 . 0 0 "[ . 1 . 2 . ]" 1
1617 1 123 GLY H 1 125 GLU H 4.000 . 5.000 4.972 4.677 5.160 0.160 19 0 "[ . 1 . 2 . ]" 1
1618 1 123 GLY QA 1 125 GLU H 4.000 . 5.000 3.688 3.242 4.470 . 0 0 "[ . 1 . 2 . ]" 1
1619 1 124 CYS H 1 125 GLU H 3.000 . 4.000 3.622 2.901 4.121 0.121 9 0 "[ . 1 . 2 . ]" 1
1620 1 124 CYS HA 1 125 GLU H 3.000 . 4.000 2.723 2.028 3.522 . 0 0 "[ . 1 . 2 . ]" 1
1621 1 124 CYS HB3 1 125 GLU H 4.000 . 5.000 4.401 3.852 4.681 . 0 0 "[ . 1 . 2 . ]" 1
1622 1 124 CYS HB2 1 125 GLU H 4.000 . 5.000 4.147 3.704 4.426 . 0 0 "[ . 1 . 2 . ]" 1
1623 1 124 CYS HB3 1 125 GLU QG 4.000 . 5.000 5.158 4.663 5.309 0.309 9 0 "[ . 1 . 2 . ]" 1
1624 1 124 CYS HB3 1 126 GLU H 5.000 . 6.000 5.969 5.676 6.175 0.175 19 0 "[ . 1 . 2 . ]" 1
1625 1 125 GLU H 1 126 GLU H 3.000 . 4.000 3.562 2.817 4.098 0.098 2 0 "[ . 1 . 2 . ]" 1
1626 1 125 GLU HA 1 126 GLU H 3.000 . 4.000 2.409 2.141 3.494 . 0 0 "[ . 1 . 2 . ]" 1
1627 1 125 GLU HA 1 126 GLU QB 4.000 . 5.000 4.499 3.816 4.980 . 0 0 "[ . 1 . 2 . ]" 1
1628 1 125 GLU HA 1 126 GLU QG 4.000 . 5.000 4.441 3.364 5.120 0.120 20 0 "[ . 1 . 2 . ]" 1
1629 1 125 GLU QB 1 126 GLU H 4.000 . 5.000 3.777 2.151 3.984 . 0 0 "[ . 1 . 2 . ]" 1
1630 1 125 GLU QG 1 126 GLU HA 4.000 . 5.000 5.096 4.596 5.229 0.229 13 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 28
_Distance_constraint_stats_list.Viol_count 116
_Distance_constraint_stats_list.Viol_total 224.033
_Distance_constraint_stats_list.Viol_max 0.222
_Distance_constraint_stats_list.Viol_rms 0.0308
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0095
_Distance_constraint_stats_list.Viol_average_violations_only 0.0666
_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 17 LEU 3.022 0.162 2 0 "[ . 1 . 2 . ]"
1 19 ILE 0.011 0.011 4 0 "[ . 1 . 2 . ]"
1 20 ARG 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 21 ALA 0.684 0.076 7 0 "[ . 1 . 2 . ]"
1 38 TYR 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 40 ILE 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 44 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 59 ARG 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 62 TYR 3.949 0.222 2 0 "[ . 1 . 2 . ]"
1 83 PHE 0.684 0.076 7 0 "[ . 1 . 2 . ]"
1 84 LEU 0.059 0.026 21 0 "[ . 1 . 2 . ]"
1 85 ILE 0.011 0.011 4 0 "[ . 1 . 2 . ]"
1 86 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 87 GLY 3.022 0.162 2 0 "[ . 1 . 2 . ]"
1 96 ILE 3.949 0.222 2 0 "[ . 1 . 2 . ]"
1 101 PHE 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 103 ALA 0.059 0.026 21 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 19 ILE O 1 85 ILE H 2.300 . 2.500 1.920 1.622 2.113 . 0 0 "[ . 1 . 2 . ]" 2
2 1 21 ALA H 1 83 PHE O 2.300 . 2.500 2.164 1.742 2.441 . 0 0 "[ . 1 . 2 . ]" 2
3 1 38 TYR H 1 61 VAL O 2.300 . 2.500 2.190 2.063 2.341 . 0 0 "[ . 1 . 2 . ]" 2
4 1 19 ILE H 1 85 ILE O 2.300 . 2.500 1.952 1.799 2.241 . 0 0 "[ . 1 . 2 . ]" 2
5 1 20 ARG H 1 44 LYS O 2.300 . 2.500 1.893 1.668 2.264 . 0 0 "[ . 1 . 2 . ]" 2
6 1 40 ILE H 1 59 ARG O 2.300 . 2.500 2.074 1.710 2.360 . 0 0 "[ . 1 . 2 . ]" 2
7 1 38 TYR O 1 61 VAL H 2.300 . 2.500 2.039 1.834 2.186 . 0 0 "[ . 1 . 2 . ]" 2
8 1 17 LEU H 1 87 GLY O 2.300 . 2.500 2.340 1.648 2.598 0.098 21 0 "[ . 1 . 2 . ]" 2
9 1 62 TYR O 1 96 ILE H 2.300 . 2.500 2.632 2.524 2.722 0.222 2 0 "[ . 1 . 2 . ]" 2
10 1 17 LEU O 1 87 GLY H 2.300 . 2.500 1.569 1.487 1.879 0.013 2 0 "[ . 1 . 2 . ]" 2
11 1 21 ALA O 1 83 PHE H 2.300 . 2.500 2.113 1.613 2.516 0.016 25 0 "[ . 1 . 2 . ]" 2
12 1 84 LEU H 1 103 ALA O 2.300 . 2.500 2.057 1.887 2.268 . 0 0 "[ . 1 . 2 . ]" 2
13 1 84 LEU O 1 103 ALA H 2.300 . 2.500 2.423 2.196 2.526 0.026 21 0 "[ . 1 . 2 . ]" 2
14 1 86 ALA H 1 101 PHE O 2.300 . 2.500 2.225 2.078 2.481 . 0 0 "[ . 1 . 2 . ]" 2
15 1 17 LEU O 1 87 GLY N 3.300 2.500 3.500 2.451 2.338 2.646 0.162 2 0 "[ . 1 . 2 . ]" 2
16 1 62 TYR O 1 96 ILE N 3.300 2.500 3.500 3.469 3.404 3.549 0.049 2 0 "[ . 1 . 2 . ]" 2
17 1 17 LEU N 1 87 GLY O 3.300 2.500 3.500 2.517 2.390 2.659 0.110 15 0 "[ . 1 . 2 . ]" 2
18 1 38 TYR O 1 61 VAL N 3.300 2.500 3.500 2.954 2.758 3.135 . 0 0 "[ . 1 . 2 . ]" 2
19 1 40 ILE N 1 59 ARG O 3.300 2.500 3.500 3.022 2.617 3.304 . 0 0 "[ . 1 . 2 . ]" 2
20 1 20 ARG N 1 44 LYS O 3.300 2.500 3.500 2.762 2.556 3.143 . 0 0 "[ . 1 . 2 . ]" 2
21 1 19 ILE N 1 85 ILE O 3.300 2.500 3.500 2.817 2.659 3.137 . 0 0 "[ . 1 . 2 . ]" 2
22 1 38 TYR N 1 61 VAL O 3.300 2.500 3.500 3.062 2.934 3.193 . 0 0 "[ . 1 . 2 . ]" 2
23 1 21 ALA N 1 83 PHE O 3.300 2.500 3.500 2.996 2.573 3.248 . 0 0 "[ . 1 . 2 . ]" 2
24 1 19 ILE O 1 85 ILE N 3.300 2.500 3.500 2.745 2.489 2.978 0.011 4 0 "[ . 1 . 2 . ]" 2
25 1 21 ALA O 1 83 PHE N 3.300 2.500 3.500 2.506 2.424 2.661 0.076 7 0 "[ . 1 . 2 . ]" 2
26 1 84 LEU N 1 103 ALA O 3.300 2.500 3.500 2.671 2.523 2.919 . 0 0 "[ . 1 . 2 . ]" 2
27 1 84 LEU O 1 103 ALA N 3.300 2.500 3.500 3.103 2.938 3.251 . 0 0 "[ . 1 . 2 . ]" 2
28 1 86 ALA N 1 101 PHE O 3.300 2.500 3.500 2.906 2.700 3.087 . 0 0 "[ . 1 . 2 . ]" 2
stop_
save_
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