NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
482022 |
1j5h   |
5343 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1j5h
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 863
_Distance_constraint_stats_list.Viol_count 7206
_Distance_constraint_stats_list.Viol_total 38116.164
_Distance_constraint_stats_list.Viol_max 0.499
_Distance_constraint_stats_list.Viol_rms 0.0617
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0228
_Distance_constraint_stats_list.Viol_average_violations_only 0.1202
_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 13 THR 25.400 0.421 22 0 "[ . 1 . 2 . 3 . 4 ]"
1 14 ALA 14.811 0.415 32 0 "[ . 1 . 2 . 3 . 4 ]"
1 15 THR 12.748 0.248 41 0 "[ . 1 . 2 . 3 . 4 ]"
1 16 VAL 17.071 0.303 15 0 "[ . 1 . 2 . 3 . 4 ]"
1 17 THR 12.079 0.283 43 0 "[ . 1 . 2 . 3 . 4 ]"
1 19 SER 10.841 0.337 41 0 "[ . 1 . 2 . 3 . 4 ]"
1 20 SER 13.412 0.383 41 0 "[ . 1 . 2 . 3 . 4 ]"
1 21 GLY 1.716 0.142 30 0 "[ . 1 . 2 . 3 . 4 ]"
1 22 LEU 26.048 0.394 35 0 "[ . 1 . 2 . 3 . 4 ]"
1 23 SER 18.509 0.440 41 0 "[ . 1 . 2 . 3 . 4 ]"
1 25 GLY 0.307 0.117 40 0 "[ . 1 . 2 . 3 . 4 ]"
1 26 THR 36.321 0.335 24 0 "[ . 1 . 2 . 3 . 4 ]"
1 27 VAL 19.381 0.335 24 0 "[ . 1 . 2 . 3 . 4 ]"
1 28 VAL 15.262 0.370 43 0 "[ . 1 . 2 . 3 . 4 ]"
1 29 LYS 5.273 0.182 29 0 "[ . 1 . 2 . 3 . 4 ]"
1 30 VAL 4.042 0.144 27 0 "[ . 1 . 2 . 3 . 4 ]"
1 31 ALA 12.838 0.201 40 0 "[ . 1 . 2 . 3 . 4 ]"
1 32 GLY 24.361 0.383 36 0 "[ . 1 . 2 . 3 . 4 ]"
1 33 ALA 20.432 0.471 38 0 "[ . 1 . 2 . 3 . 4 ]"
1 34 GLY 7.793 0.471 38 0 "[ . 1 . 2 . 3 . 4 ]"
1 35 LEU 16.603 0.383 36 0 "[ . 1 . 2 . 3 . 4 ]"
1 36 GLN 13.859 0.239 25 0 "[ . 1 . 2 . 3 . 4 ]"
1 37 ALA 0.651 0.083 36 0 "[ . 1 . 2 . 3 . 4 ]"
1 38 GLY 4.942 0.245 15 0 "[ . 1 . 2 . 3 . 4 ]"
1 39 THR 5.973 0.210 22 0 "[ . 1 . 2 . 3 . 4 ]"
1 40 ALA 9.243 0.274 6 0 "[ . 1 . 2 . 3 . 4 ]"
1 41 TYR 18.520 0.225 1 0 "[ . 1 . 2 . 3 . 4 ]"
1 42 ASP 12.488 0.274 6 0 "[ . 1 . 2 . 3 . 4 ]"
1 43 VAL 8.986 0.279 17 0 "[ . 1 . 2 . 3 . 4 ]"
1 44 GLY 12.651 0.328 7 0 "[ . 1 . 2 . 3 . 4 ]"
1 45 GLN 21.680 0.499 29 0 "[ . 1 . 2 . 3 . 4 ]"
1 46 CYS 35.599 0.352 28 0 "[ . 1 . 2 . 3 . 4 ]"
1 47 ALA 19.037 0.385 43 0 "[ . 1 . 2 . 3 . 4 ]"
1 48 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 49 VAL 10.876 0.296 43 0 "[ . 1 . 2 . 3 . 4 ]"
1 50 ASP 11.542 0.296 43 0 "[ . 1 . 2 . 3 . 4 ]"
1 51 THR 4.350 0.255 37 0 "[ . 1 . 2 . 3 . 4 ]"
1 52 GLY 4.308 0.255 7 0 "[ . 1 . 2 . 3 . 4 ]"
1 53 VAL 20.743 0.458 42 0 "[ . 1 . 2 . 3 . 4 ]"
1 54 LEU 13.777 0.458 42 0 "[ . 1 . 2 . 3 . 4 ]"
1 55 ALA 10.038 0.347 43 0 "[ . 1 . 2 . 3 . 4 ]"
1 56 CYS 11.839 0.228 36 0 "[ . 1 . 2 . 3 . 4 ]"
1 57 ASN 28.444 0.348 42 0 "[ . 1 . 2 . 3 . 4 ]"
1 59 ALA 4.513 0.262 34 0 "[ . 1 . 2 . 3 . 4 ]"
1 60 ASP 31.575 0.348 42 0 "[ . 1 . 2 . 3 . 4 ]"
1 61 PHE 12.155 0.291 35 0 "[ . 1 . 2 . 3 . 4 ]"
1 62 SER 5.175 0.250 24 0 "[ . 1 . 2 . 3 . 4 ]"
1 63 SER 14.576 0.301 9 0 "[ . 1 . 2 . 3 . 4 ]"
1 64 VAL 16.728 0.267 6 0 "[ . 1 . 2 . 3 . 4 ]"
1 65 THR 4.413 0.175 39 0 "[ . 1 . 2 . 3 . 4 ]"
1 66 ALA 7.782 0.245 15 0 "[ . 1 . 2 . 3 . 4 ]"
1 67 ASP 31.652 0.335 41 0 "[ . 1 . 2 . 3 . 4 ]"
1 68 ALA 21.883 0.270 9 0 "[ . 1 . 2 . 3 . 4 ]"
1 69 ASN 21.376 0.318 23 0 "[ . 1 . 2 . 3 . 4 ]"
1 70 GLY 11.312 0.270 9 0 "[ . 1 . 2 . 3 . 4 ]"
1 71 SER 14.793 0.335 41 0 "[ . 1 . 2 . 3 . 4 ]"
1 72 ALA 7.558 0.243 8 0 "[ . 1 . 2 . 3 . 4 ]"
1 73 SER 7.030 0.207 12 0 "[ . 1 . 2 . 3 . 4 ]"
1 74 THR 0.652 0.100 21 0 "[ . 1 . 2 . 3 . 4 ]"
1 75 SER 5.232 0.212 41 0 "[ . 1 . 2 . 3 . 4 ]"
1 76 LEU 40.268 0.447 41 0 "[ . 1 . 2 . 3 . 4 ]"
1 77 THR 17.903 0.487 13 0 "[ . 1 . 2 . 3 . 4 ]"
1 78 VAL 15.537 0.304 43 0 "[ . 1 . 2 . 3 . 4 ]"
1 79 ARG 34.957 0.499 29 0 "[ . 1 . 2 . 3 . 4 ]"
1 80 ARG 18.299 0.369 17 0 "[ . 1 . 2 . 3 . 4 ]"
1 81 SER 10.721 0.369 17 0 "[ . 1 . 2 . 3 . 4 ]"
1 82 PHE 21.496 0.435 44 0 "[ . 1 . 2 . 3 . 4 ]"
1 83 GLU 4.205 0.326 27 0 "[ . 1 . 2 . 3 . 4 ]"
1 84 GLY 11.267 0.399 33 0 "[ . 1 . 2 . 3 . 4 ]"
1 85 PHE 25.370 0.411 37 0 "[ . 1 . 2 . 3 . 4 ]"
1 86 LEU 29.556 0.484 43 0 "[ . 1 . 2 . 3 . 4 ]"
1 87 PHE 10.062 0.284 33 0 "[ . 1 . 2 . 3 . 4 ]"
1 88 ASP 17.659 0.475 44 0 "[ . 1 . 2 . 3 . 4 ]"
1 89 GLY 3.298 0.271 37 0 "[ . 1 . 2 . 3 . 4 ]"
1 90 THR 15.511 0.484 43 0 "[ . 1 . 2 . 3 . 4 ]"
1 92 TRP 10.825 0.278 44 0 "[ . 1 . 2 . 3 . 4 ]"
1 93 GLY 1.690 0.363 19 0 "[ . 1 . 2 . 3 . 4 ]"
1 94 THR 11.945 0.436 43 0 "[ . 1 . 2 . 3 . 4 ]"
1 95 VAL 22.510 0.498 27 0 "[ . 1 . 2 . 3 . 4 ]"
1 96 ASP 4.774 0.498 27 0 "[ . 1 . 2 . 3 . 4 ]"
1 97 CYS 34.802 0.389 40 0 "[ . 1 . 2 . 3 . 4 ]"
1 98 THR 29.313 0.378 12 0 "[ . 1 . 2 . 3 . 4 ]"
1 99 THR 18.433 0.348 44 0 "[ . 1 . 2 . 3 . 4 ]"
1 100 ALA 14.224 0.388 14 0 "[ . 1 . 2 . 3 . 4 ]"
1 101 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 102 CYS 34.592 0.385 43 0 "[ . 1 . 2 . 3 . 4 ]"
1 103 GLN 17.359 0.306 33 0 "[ . 1 . 2 . 3 . 4 ]"
1 104 VAL 21.858 0.352 28 0 "[ . 1 . 2 . 3 . 4 ]"
1 105 GLY 8.143 0.173 4 0 "[ . 1 . 2 . 3 . 4 ]"
1 106 LEU 11.332 0.355 38 0 "[ . 1 . 2 . 3 . 4 ]"
1 107 SER 10.727 0.270 38 0 "[ . 1 . 2 . 3 . 4 ]"
1 108 ASP 16.089 0.281 20 0 "[ . 1 . 2 . 3 . 4 ]"
1 109 ALA 11.840 0.281 20 0 "[ . 1 . 2 . 3 . 4 ]"
1 110 ALA 7.162 0.456 30 0 "[ . 1 . 2 . 3 . 4 ]"
1 111 GLY 5.212 0.241 27 0 "[ . 1 . 2 . 3 . 4 ]"
1 112 ASN 30.102 0.471 26 0 "[ . 1 . 2 . 3 . 4 ]"
1 113 GLY 9.325 0.267 12 0 "[ . 1 . 2 . 3 . 4 ]"
1 115 GLU 0.581 0.070 35 0 "[ . 1 . 2 . 3 . 4 ]"
1 116 GLY 4.048 0.160 12 0 "[ . 1 . 2 . 3 . 4 ]"
1 117 VAL 12.752 0.307 28 0 "[ . 1 . 2 . 3 . 4 ]"
1 118 ALA 18.368 0.330 2 0 "[ . 1 . 2 . 3 . 4 ]"
1 119 ILE 35.634 0.376 30 0 "[ . 1 . 2 . 3 . 4 ]"
1 120 SER 24.733 0.427 44 0 "[ . 1 . 2 . 3 . 4 ]"
1 121 PHE 34.237 0.436 22 0 "[ . 1 . 2 . 3 . 4 ]"
1 122 ASN 5.985 0.427 44 0 "[ . 1 . 2 . 3 . 4 ]"
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 13 THR H 1 13 THR HA . . 2.850 2.708 2.223 2.944 0.094 22 0 "[ . 1 . 2 . 3 . 4 ]" 1
2 1 13 THR H 1 14 ALA H . . 4.000 4.085 2.061 4.415 0.415 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
3 1 13 THR H 1 15 THR MG . . 6.000 5.005 4.845 5.169 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
4 1 13 THR H 1 33 ALA HA . . 5.000 3.718 3.028 4.137 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
5 1 13 THR H 1 33 ALA O . . 2.000 2.090 1.857 2.304 0.304 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
6 1 13 THR H 1 34 GLY QA . . 6.000 3.918 3.516 4.279 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
7 1 13 THR H 1 35 LEU QB . . 6.460 4.073 3.261 4.458 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
8 1 13 THR HB 1 14 ALA H . . 3.230 3.148 2.450 3.642 0.412 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
9 1 13 THR N 1 33 ALA O . . 3.000 2.672 2.495 2.998 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
10 1 13 THR O 1 33 ALA H . . 2.000 2.125 1.968 2.421 0.421 22 0 "[ . 1 . 2 . 3 . 4 ]" 1
11 1 13 THR O 1 33 ALA N . . 3.000 2.701 2.492 3.091 0.091 22 0 "[ . 1 . 2 . 3 . 4 ]" 1
12 1 14 ALA H 1 14 ALA MB . . 3.570 2.204 1.956 2.391 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
13 1 14 ALA H 1 15 THR MG . . 6.000 3.928 3.623 4.276 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
14 1 14 ALA H 1 33 ALA HA . . 4.000 2.858 2.150 4.079 0.079 7 0 "[ . 1 . 2 . 3 . 4 ]" 1
15 1 14 ALA H 1 115 GLU QB . . 5.890 4.935 3.706 5.471 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
16 1 14 ALA HA 1 15 THR H . . 3.340 2.417 2.186 2.606 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
17 1 14 ALA HA 1 33 ALA H . . 4.520 2.955 2.492 3.291 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
18 1 15 THR H 1 15 THR HB . . 4.100 3.933 3.836 3.971 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
19 1 15 THR H 1 15 THR MG . . 4.630 2.741 2.452 3.091 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
20 1 15 THR H 1 16 VAL H . . 5.000 4.379 4.341 4.446 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
21 1 15 THR H 1 16 VAL HA . . 4.710 4.590 4.532 4.710 0.000 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
22 1 15 THR H 1 30 VAL QG . . 8.120 2.700 2.199 3.327 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
23 1 15 THR H 1 31 ALA O . . 2.000 1.997 1.782 2.147 0.147 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
24 1 15 THR H 1 32 GLY QA . . 5.820 3.392 3.094 3.837 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
25 1 15 THR HA 1 16 VAL H . . 3.300 2.358 2.288 2.451 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
26 1 15 THR HB 1 16 VAL H . . 2.730 2.840 2.727 2.978 0.248 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
27 1 15 THR MG 1 31 ALA H . . 7.030 4.801 4.182 5.299 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
28 1 15 THR N 1 31 ALA O . . 3.000 2.869 2.651 3.050 0.050 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
29 1 15 THR O 1 31 ALA H . . 2.000 2.115 1.863 2.201 0.201 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
30 1 15 THR O 1 31 ALA N . . 3.000 3.000 2.827 3.116 0.116 22 0 "[ . 1 . 2 . 3 . 4 ]" 1
31 1 16 VAL H 1 16 VAL HA . . 2.880 2.931 2.884 2.941 0.061 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
32 1 16 VAL H 1 16 VAL HB . . 2.620 2.584 2.101 2.923 0.303 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
33 1 16 VAL H 1 17 THR H . . 4.290 4.452 4.233 4.573 0.283 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
34 1 16 VAL H 1 17 THR HA . . 6.000 5.275 5.047 5.462 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
35 1 16 VAL H 1 19 SER HA . . 6.000 5.371 4.530 6.096 0.096 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
36 1 16 VAL H 1 30 VAL QG . . 6.000 3.600 3.173 4.002 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
37 1 16 VAL QG 1 17 THR H . . 5.310 2.436 1.872 3.098 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
38 1 16 VAL QG 1 20 SER H . . 8.120 4.944 3.716 6.055 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
39 1 16 VAL QG 1 26 THR H . . 8.120 6.141 5.966 6.310 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
40 1 17 THR H 1 17 THR HA . . 2.900 2.664 2.576 2.776 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
41 1 17 THR H 1 17 THR HB . . 2.960 2.131 1.998 2.358 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
42 1 17 THR H 1 28 VAL HB . . 6.000 4.452 3.573 5.373 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
43 1 17 THR H 1 29 LYS HA . . 6.000 5.217 4.912 5.399 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
44 1 17 THR H 1 29 LYS QB . . 6.880 4.026 3.544 4.455 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
45 1 17 THR H 1 29 LYS O . . 2.000 2.069 1.735 2.182 0.182 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
46 1 17 THR H 1 30 VAL HA . . 6.000 2.845 2.137 3.621 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
47 1 17 THR H 1 30 VAL QG . . 6.000 3.134 2.617 4.065 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
48 1 17 THR H 1 117 VAL QG . . 7.560 5.534 5.236 5.789 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
49 1 17 THR HB 1 29 LYS H . . 6.000 3.376 2.585 3.819 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
50 1 17 THR MG 1 19 SER H . . 7.030 5.140 4.756 5.351 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
51 1 17 THR MG 1 29 LYS H . . 7.030 3.997 3.182 4.483 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
52 1 17 THR N 1 29 LYS O . . 3.000 3.010 2.714 3.174 0.174 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
53 1 19 SER H 1 19 SER HA . . 2.770 2.644 2.174 2.916 0.146 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
54 1 19 SER H 1 19 SER QB . . 3.560 3.014 2.521 3.231 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
55 1 19 SER H 1 20 SER H . . 2.240 1.912 1.484 2.577 0.337 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
56 1 19 SER H 1 20 SER HA . . 6.000 4.392 3.848 5.121 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
57 1 19 SER H 1 20 SER QB . . 6.000 4.356 3.105 5.149 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
58 1 19 SER H 1 22 LEU QD . . 8.600 3.067 1.682 5.465 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
59 1 19 SER H 1 117 VAL QG . . 8.590 5.920 5.243 6.474 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
60 1 19 SER HA 1 120 SER H . . 4.780 3.758 2.799 4.668 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
61 1 19 SER QB 1 120 SER H . . 6.880 4.355 3.167 5.257 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
62 1 19 SER HB2 1 20 SER H . . 6.000 4.460 3.568 4.721 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
63 1 19 SER HB3 1 20 SER H . . 6.000 4.177 3.082 4.641 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
64 1 19 SER O 1 120 SER H . . 2.000 2.106 1.795 2.244 0.244 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
65 1 19 SER O 1 120 SER N . . 3.000 3.038 2.705 3.179 0.179 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
66 1 20 SER H 1 22 LEU H . . 4.440 4.361 3.436 4.790 0.350 44 0 "[ . 1 . 2 . 3 . 4 ]" 1
67 1 20 SER H 1 22 LEU MD1 . . 7.030 3.772 2.027 5.433 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
68 1 20 SER H 1 22 LEU QD . . 6.100 2.745 1.750 4.620 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
69 1 20 SER H 1 22 LEU MD2 . . 7.030 3.050 1.876 5.976 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
70 1 20 SER H 1 22 LEU HG . . 5.160 3.475 1.953 4.968 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
71 1 20 SER H 1 121 PHE HA . . 6.000 6.088 5.031 6.355 0.355 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
72 1 20 SER HA 1 21 GLY H . . 2.500 2.410 2.216 2.642 0.142 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
73 1 20 SER HA 1 22 LEU H . . 3.570 3.418 3.033 3.953 0.383 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
74 1 20 SER HA 1 120 SER H . . 2.900 2.213 1.814 2.969 0.069 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
75 1 20 SER QB 1 120 SER H . . 6.420 3.264 2.336 4.551 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
76 1 21 GLY H 1 21 GLY HA2 . . 2.900 2.386 2.245 2.879 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
77 1 21 GLY H 1 21 GLY QA . . 2.470 2.165 2.151 2.205 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
78 1 21 GLY H 1 21 GLY HA3 . . 2.900 2.670 2.246 2.896 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
79 1 21 GLY H 1 22 LEU H . . 2.920 2.691 2.335 2.988 0.068 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
80 1 21 GLY H 1 22 LEU HG . . 5.960 4.064 3.482 4.514 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
81 1 21 GLY H 1 120 SER H . . 4.400 4.091 2.783 4.536 0.136 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
82 1 21 GLY QA 1 23 SER H . . 6.880 5.263 2.679 6.059 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
83 1 21 GLY QA 1 122 ASN H . . 6.880 4.025 2.189 6.224 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
84 1 22 LEU H 1 22 LEU HA . . 2.880 2.752 2.212 2.937 0.057 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
85 1 22 LEU H 1 22 LEU QB . . 3.650 2.696 2.365 3.320 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
86 1 22 LEU H 1 22 LEU HG . . 2.390 2.312 1.778 2.672 0.282 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
87 1 22 LEU H 1 23 SER H . . 4.140 3.889 2.724 4.378 0.238 11 0 "[ . 1 . 2 . 3 . 4 ]" 1
88 1 22 LEU H 1 23 SER QB . . 6.880 5.226 3.463 5.768 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
89 1 22 LEU H 1 120 SER O . . 2.000 2.141 2.041 2.394 0.394 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
90 1 22 LEU H 1 121 PHE HA . . 3.380 2.539 2.008 3.390 0.010 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
91 1 22 LEU H 1 122 ASN H . . 3.760 3.160 2.170 3.927 0.167 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
92 1 22 LEU QB 1 23 SER H . . 3.800 2.066 1.643 3.794 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
93 1 22 LEU QB 1 122 ASN H . . 6.880 3.890 2.596 6.295 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
94 1 22 LEU QD 1 23 SER H . . 5.790 3.514 1.846 4.521 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
95 1 22 LEU QD 1 120 SER H . . 6.360 3.996 1.892 5.021 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
96 1 22 LEU MD1 1 23 SER H . . 7.030 3.782 1.849 4.925 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
97 1 22 LEU MD2 1 23 SER H . . 7.030 4.247 3.726 5.338 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
98 1 22 LEU HG 1 23 SER H . . 4.290 4.297 3.069 4.637 0.347 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
99 1 22 LEU HG 1 120 SER H . . 6.000 4.342 3.354 6.025 0.025 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
100 1 22 LEU N 1 120 SER O . . 3.000 3.077 2.818 3.361 0.361 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
101 1 23 SER H 1 23 SER HB2 . . 3.300 2.999 2.014 3.335 0.035 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
102 1 23 SER H 1 23 SER QB . . 2.980 2.672 1.998 2.938 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
103 1 23 SER H 1 23 SER HB3 . . 3.300 3.151 2.034 3.740 0.440 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
104 1 23 SER H 1 26 THR MG . . 5.240 3.211 1.906 4.249 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
105 1 23 SER H 1 121 PHE HA . . 5.000 3.966 2.523 5.256 0.256 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
106 1 23 SER HA 1 25 GLY H . . 6.000 5.245 3.127 5.840 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
107 1 23 SER HA 1 26 THR H . . 6.000 5.103 2.705 5.428 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
108 1 23 SER HA 1 80 ARG H . . 6.000 5.952 3.123 6.279 0.279 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
109 1 23 SER QB 1 26 THR H . . 6.880 4.049 3.337 4.978 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
110 1 23 SER O 1 26 THR H . . 2.000 2.141 2.051 2.263 0.263 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
111 1 23 SER O 1 26 THR N . . 3.000 2.812 2.595 3.052 0.052 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
112 1 25 GLY H 1 25 GLY QA . . 2.650 2.234 2.155 2.300 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
113 1 25 GLY H 1 26 THR H . . 2.690 2.244 1.981 2.807 0.117 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
114 1 25 GLY H 1 27 VAL QG . . 7.560 5.203 4.857 5.549 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
115 1 25 GLY H 1 45 GLN QE . . 6.870 6.152 6.000 6.332 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
116 1 25 GLY H 1 77 THR HA . . 6.000 5.551 4.958 6.057 0.057 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
117 1 25 GLY H 1 78 VAL QG . . 6.560 4.328 3.523 5.023 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
118 1 25 GLY H 1 79 ARG HA . . 3.420 1.830 1.686 1.973 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
119 1 25 GLY H 1 80 ARG H . . 3.990 2.580 2.013 3.470 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
120 1 25 GLY H 1 121 PHE QB . . 6.880 5.224 4.489 5.914 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
121 1 26 THR H 1 26 THR HA . . 2.660 2.847 2.771 2.937 0.277 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
122 1 26 THR H 1 26 THR HB . . 3.300 2.190 1.972 2.766 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
123 1 26 THR H 1 26 THR MG . . 4.520 3.342 1.768 3.687 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
124 1 26 THR H 1 27 VAL H . . 4.750 4.144 3.982 4.397 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
125 1 26 THR H 1 27 VAL HA . . 5.000 5.163 4.908 5.335 0.335 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
126 1 26 THR H 1 27 VAL QG . . 6.560 4.362 4.162 4.523 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
127 1 26 THR H 1 28 VAL QG . . 8.120 4.686 4.396 4.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
128 1 26 THR H 1 77 THR HA . . 5.000 4.502 3.886 5.078 0.078 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
129 1 26 THR H 1 79 ARG H . . 5.000 4.552 4.269 4.945 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
130 1 26 THR HA 1 27 VAL H . . 2.900 2.285 2.156 2.379 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
131 1 26 THR HA 1 78 VAL H . . 6.000 4.415 3.887 4.977 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
132 1 26 THR HB 1 27 VAL H . . 4.560 4.681 4.496 4.753 0.193 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
133 1 26 THR MG 1 27 VAL H . . 5.090 3.708 3.031 4.348 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
134 1 26 THR O 1 78 VAL H . . 2.000 2.121 2.043 2.216 0.216 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
135 1 26 THR O 1 78 VAL N . . 3.000 3.079 3.021 3.166 0.166 44 0 "[ . 1 . 2 . 3 . 4 ]" 1
136 1 27 VAL H 1 27 VAL HB . . 2.470 2.623 2.517 2.750 0.280 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
137 1 27 VAL H 1 77 THR HA . . 5.000 3.566 3.071 4.078 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
138 1 27 VAL HA 1 28 VAL H . . 2.880 2.276 2.183 2.413 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
139 1 27 VAL HB 1 28 VAL H . . 6.000 4.440 4.298 4.509 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
140 1 27 VAL QG 1 28 VAL H . . 5.520 3.294 2.800 3.603 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
141 1 27 VAL QG 1 79 ARG H . . 7.140 5.155 5.016 5.314 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
142 1 27 VAL MG1 1 28 VAL H . . 5.890 3.415 2.839 3.826 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
143 1 27 VAL MG2 1 28 VAL H . . 5.890 4.372 4.258 4.429 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
144 1 28 VAL H 1 29 LYS H . . 6.000 4.464 4.334 4.604 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
145 1 28 VAL H 1 76 LEU O . . 2.000 2.258 2.108 2.370 0.370 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
146 1 28 VAL HB 1 29 LYS H . . 2.430 2.258 1.893 2.530 0.100 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
147 1 28 VAL QG 1 29 LYS H . . 5.540 3.037 2.698 3.253 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
148 1 28 VAL N 1 76 LEU O . . 3.000 3.034 2.954 3.109 0.109 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
149 1 28 VAL O 1 76 LEU H . . 2.000 2.020 1.782 2.179 0.179 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
150 1 28 VAL O 1 76 LEU N . . 3.000 2.820 2.682 2.970 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
151 1 29 LYS H 1 29 LYS HA . . 2.900 2.832 2.740 2.925 0.025 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
152 1 29 LYS H 1 30 VAL HA . . 6.000 5.397 4.959 5.634 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
153 1 29 LYS QB 1 30 VAL H . . 5.390 3.332 2.838 3.978 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
154 1 29 LYS QG 1 30 VAL H . . 5.370 3.122 2.341 3.877 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
155 1 29 LYS QG 1 74 THR H . . 6.880 4.203 2.966 5.206 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
156 1 29 LYS HG2 1 30 VAL H . . 5.730 3.315 2.482 4.275 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
157 1 29 LYS HG3 1 30 VAL H . . 5.730 4.042 2.566 4.789 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
158 1 30 VAL H 1 30 VAL HA . . 2.900 2.920 2.891 2.940 0.040 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
159 1 30 VAL H 1 30 VAL HB . . 3.070 2.713 2.264 3.095 0.025 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
160 1 30 VAL H 1 31 ALA MB . . 6.000 4.477 4.235 4.831 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
161 1 30 VAL H 1 74 THR MG . . 7.030 4.069 3.364 4.433 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
162 1 30 VAL H 1 74 THR O . . 2.000 1.782 1.599 2.029 0.029 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
163 1 30 VAL H 1 75 SER HA . . 3.150 2.871 2.253 3.196 0.046 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
164 1 30 VAL HA 1 31 ALA H . . 2.200 2.266 2.185 2.344 0.144 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
165 1 30 VAL HB 1 31 ALA H . . 6.000 4.178 3.907 4.428 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
166 1 30 VAL HB 1 74 THR H . . 6.000 3.827 3.253 5.017 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
167 1 30 VAL HB 1 75 SER H . . 6.000 5.194 3.739 6.074 0.074 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
168 1 30 VAL QG 1 74 THR H . . 6.450 3.609 1.950 4.173 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
169 1 30 VAL QG 1 75 SER H . . 8.120 4.761 3.164 5.605 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
170 1 30 VAL QG 1 76 LEU H . . 5.420 2.240 1.814 3.602 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
171 1 30 VAL QG 1 77 THR H . . 8.120 5.019 4.733 5.472 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
172 1 30 VAL N 1 74 THR O . . 3.000 2.591 2.450 2.900 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
173 1 30 VAL O 1 74 THR H . . 2.000 1.817 1.716 1.956 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
174 1 30 VAL O 1 74 THR N . . 3.000 2.769 2.665 2.902 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
175 1 31 ALA H 1 32 GLY QA . . 5.880 4.531 4.449 4.649 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
176 1 31 ALA H 1 73 SER HA . . 4.670 4.700 4.547 4.866 0.196 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
177 1 31 ALA HA 1 73 SER H . . 4.970 4.185 3.841 4.547 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
178 1 31 ALA HA 1 74 THR H . . 4.140 3.633 3.459 3.805 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
179 1 31 ALA MB 1 74 THR H . . 5.000 4.143 4.013 4.258 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
180 1 32 GLY H 1 35 LEU H . . 6.000 6.284 6.106 6.383 0.383 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
181 1 32 GLY H 1 35 LEU QD . . 8.600 5.914 5.681 6.018 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
182 1 32 GLY H 1 72 ALA H . . 3.500 2.744 2.448 3.025 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
183 1 32 GLY H 1 72 ALA MB . . 6.950 3.235 2.906 3.597 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
184 1 32 GLY H 1 72 ALA O . . 2.000 1.913 1.775 2.018 0.018 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
185 1 32 GLY H 1 73 SER HA . . 3.910 4.007 3.835 4.117 0.207 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
186 1 32 GLY QA 1 33 ALA H . . 2.850 2.326 2.277 2.334 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
187 1 32 GLY QA 1 72 ALA H . . 5.320 2.959 2.253 3.226 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
188 1 32 GLY HA2 1 33 ALA H . . 3.300 2.641 2.515 2.888 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
189 1 32 GLY HA3 1 33 ALA H . . 3.300 2.602 2.384 2.729 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
190 1 32 GLY N 1 72 ALA O . . 3.000 2.782 2.662 2.954 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
191 1 32 GLY O 1 72 ALA H . . 2.000 2.163 1.969 2.243 0.243 8 0 "[ . 1 . 2 . 3 . 4 ]" 1
192 1 32 GLY O 1 72 ALA N . . 3.000 2.980 2.800 3.036 0.036 8 0 "[ . 1 . 2 . 3 . 4 ]" 1
193 1 33 ALA H 1 33 ALA HA . . 2.730 2.593 2.532 2.643 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
194 1 33 ALA H 1 35 LEU QB . . 4.380 3.988 3.900 4.077 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
195 1 33 ALA H 1 35 LEU QD . . 6.660 4.815 4.625 4.932 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
196 1 33 ALA HA 1 34 GLY H . . 2.810 2.987 2.864 3.281 0.471 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
197 1 33 ALA HA 1 35 LEU H . . 4.000 4.051 3.990 4.233 0.233 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
198 1 33 ALA HA 1 72 ALA H . . 5.000 4.597 4.353 5.011 0.011 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
199 1 33 ALA MB 1 35 LEU H . . 5.880 2.694 2.628 2.914 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
200 1 33 ALA MB 1 72 ALA H . . 5.930 2.121 1.889 2.851 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
201 1 34 GLY H 1 70 GLY QA . . 6.880 6.269 6.049 6.346 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
202 1 34 GLY H 1 71 SER HA . . 6.000 5.300 4.861 5.773 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
203 1 35 LEU H 1 35 LEU HA . . 2.660 2.221 2.209 2.239 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
204 1 35 LEU H 1 35 LEU HB2 . . 3.300 2.994 2.914 3.068 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
205 1 35 LEU H 1 35 LEU QB . . 2.850 2.792 2.721 2.854 0.004 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
206 1 35 LEU H 1 35 LEU HB3 . . 3.300 3.339 3.261 3.423 0.123 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
207 1 35 LEU H 1 36 GLN H . . 4.180 3.077 2.883 3.239 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
208 1 35 LEU H 1 66 ALA MB . . 5.960 4.496 4.131 4.871 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
209 1 35 LEU H 1 70 GLY QA . . 4.880 4.400 4.301 4.550 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
210 1 35 LEU H 1 72 ALA H . . 6.000 4.145 4.020 4.368 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
211 1 35 LEU QB 1 36 GLN H . . 4.880 4.105 4.058 4.114 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
212 1 35 LEU QD 1 36 GLN H . . 6.200 4.349 3.699 4.502 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
213 1 35 LEU QD 1 72 ALA H . . 8.220 5.233 4.664 5.449 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
214 1 36 GLN H 1 36 GLN HA . . 2.660 2.863 2.785 2.899 0.239 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
215 1 36 GLN H 1 36 GLN QB . . 3.650 2.210 2.015 2.347 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
216 1 36 GLN H 1 39 THR MG . . 7.030 5.062 3.748 5.840 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
217 1 36 GLN H 1 41 TYR QD . . 7.870 4.781 4.248 5.455 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
218 1 36 GLN H 1 41 TYR OH . . 2.000 2.110 1.922 2.225 0.225 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
219 1 36 GLN H 1 66 ALA HA . . 6.000 5.093 4.819 5.298 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
220 1 36 GLN H 1 66 ALA MB . . 5.390 2.889 2.712 3.109 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
221 1 36 GLN QB 1 39 THR H . . 5.390 3.325 2.793 3.944 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
222 1 36 GLN N 1 41 TYR OH . . 3.000 2.659 2.527 2.847 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
223 1 37 ALA H 1 39 THR H . . 3.570 2.723 2.073 3.653 0.083 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
224 1 37 ALA H 1 39 THR HA . . 6.000 4.933 4.460 5.569 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
225 1 37 ALA HA 1 67 ASP H . . 5.350 4.556 4.206 5.003 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
226 1 37 ALA HA 1 71 SER H . . 5.000 4.877 4.677 5.061 0.061 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
227 1 38 GLY H 1 38 GLY HA2 . . 2.800 2.264 2.246 2.342 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
228 1 38 GLY H 1 38 GLY HA3 . . 2.800 2.786 2.659 2.937 0.137 44 0 "[ . 1 . 2 . 3 . 4 ]" 1
229 1 38 GLY H 1 65 THR MG . . 5.280 4.254 4.022 4.404 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
230 1 38 GLY H 1 66 ALA H . . 4.000 4.060 3.699 4.245 0.245 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
231 1 38 GLY H 1 70 GLY QA . . 3.380 2.559 2.246 2.728 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
232 1 39 THR H 1 39 THR HA . . 2.900 2.905 2.825 2.948 0.048 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
233 1 39 THR H 1 39 THR MG . . 4.670 3.494 2.558 3.925 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
234 1 39 THR H 1 40 ALA H . . 6.000 4.519 4.357 4.650 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
235 1 39 THR H 1 41 TYR QD . . 8.140 4.469 3.508 5.711 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
236 1 39 THR H 1 65 THR MG . . 5.280 3.501 2.403 4.263 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
237 1 39 THR H 1 66 ALA H . . 3.300 2.828 2.115 3.403 0.103 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
238 1 39 THR H 1 66 ALA MB . . 4.060 1.851 1.734 1.965 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
239 1 39 THR H 1 70 GLY H . . 6.000 5.998 5.491 6.210 0.210 22 0 "[ . 1 . 2 . 3 . 4 ]" 1
240 1 39 THR MG 1 40 ALA H . . 3.800 2.174 1.781 2.981 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
241 1 39 THR MG 1 109 ALA H . . 6.690 4.690 3.450 5.662 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
242 1 39 THR O 1 66 ALA H . . 2.000 2.030 1.906 2.160 0.160 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
243 1 39 THR O 1 66 ALA N . . 3.000 2.916 2.773 3.043 0.043 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
244 1 40 ALA H 1 41 TYR H . . 5.350 4.644 4.553 4.670 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
245 1 40 ALA HA 1 41 TYR H . . 2.470 2.326 2.276 2.422 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
246 1 40 ALA HA 1 42 ASP H . . 5.000 5.164 5.057 5.274 0.274 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
247 1 40 ALA HA 1 64 VAL H . . 5.000 5.039 4.819 5.104 0.104 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
248 1 40 ALA MB 1 66 ALA H . . 6.270 5.331 5.197 5.437 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
249 1 41 TYR H 1 42 ASP H . . 3.300 3.364 3.176 3.439 0.139 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
250 1 41 TYR H 1 42 ASP QB . . 5.880 4.910 4.666 5.380 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
251 1 41 TYR H 1 63 SER HA . . 5.620 4.704 4.311 5.016 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
252 1 41 TYR H 1 64 VAL QG . . 6.540 3.525 3.231 4.453 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
253 1 41 TYR H 1 64 VAL O . . 2.000 1.878 1.736 2.036 0.036 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
254 1 41 TYR H 1 65 THR MG . . 7.030 5.058 4.426 5.489 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
255 1 41 TYR H 1 66 ALA H . . 5.000 5.027 4.717 5.102 0.102 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
256 1 41 TYR HA 1 42 ASP H . . 2.540 2.404 2.364 2.457 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
257 1 41 TYR HA 1 107 SER H . . 4.100 3.984 3.645 4.235 0.135 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
258 1 41 TYR HA 1 109 ALA H . . 5.000 4.902 4.180 5.121 0.121 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
259 1 41 TYR QB 1 64 VAL H . . 6.880 3.219 2.897 3.482 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
260 1 41 TYR QB 1 107 SER H . . 4.600 3.729 3.190 3.927 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
261 1 41 TYR QD 1 42 ASP H . . 8.140 4.286 3.707 4.753 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
262 1 41 TYR QD 1 66 ALA H . . 6.320 3.056 2.195 4.124 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
263 1 41 TYR QD 1 107 SER H . . 7.110 3.796 2.859 5.061 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
264 1 41 TYR QD 1 108 ASP H . . 6.540 4.229 3.010 5.018 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
265 1 41 TYR N 1 64 VAL O . . 3.000 2.683 2.517 2.860 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
266 1 41 TYR O 1 64 VAL H . . 2.000 2.102 2.029 2.166 0.166 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
267 1 41 TYR O 1 64 VAL N . . 3.000 3.046 2.930 3.142 0.142 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
268 1 42 ASP H 1 42 ASP HB2 . . 3.380 2.170 1.997 2.833 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
269 1 42 ASP H 1 42 ASP QB . . 2.960 2.085 1.977 2.717 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
270 1 42 ASP H 1 42 ASP HB3 . . 3.380 3.044 2.187 3.500 0.120 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
271 1 42 ASP H 1 43 VAL H . . 5.000 4.566 4.462 4.650 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
272 1 42 ASP H 1 108 ASP HA . . 3.300 3.159 2.296 3.487 0.187 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
273 1 42 ASP HA 1 43 VAL H . . 2.260 2.273 2.251 2.341 0.081 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
274 1 42 ASP HA 1 64 VAL H . . 4.000 3.145 2.819 3.457 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
275 1 42 ASP QB 1 64 VAL H . . 5.880 5.044 4.635 5.307 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
276 1 42 ASP QB 1 107 SER H . . 5.450 3.878 3.531 4.120 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
277 1 42 ASP HB2 1 107 SER H . . 6.000 4.799 3.856 5.435 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
278 1 42 ASP HB3 1 107 SER H . . 6.000 4.183 3.664 5.472 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
279 1 42 ASP O 1 107 SER H . . 2.000 1.852 1.697 2.115 0.115 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
280 1 42 ASP O 1 107 SER N . . 3.000 2.633 2.486 2.854 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
281 1 43 VAL H 1 43 VAL HB . . 2.660 2.308 2.100 2.515 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
282 1 43 VAL H 1 44 GLY H . . 6.000 4.654 4.613 4.673 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
283 1 43 VAL H 1 61 PHE QB . . 6.880 6.330 6.183 6.521 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
284 1 43 VAL H 1 62 SER O . . 2.000 1.858 1.648 2.031 0.031 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
285 1 43 VAL H 1 63 SER HA . . 3.190 1.827 1.640 2.059 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
286 1 43 VAL H 1 64 VAL HB . . 6.000 5.213 4.359 5.993 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
287 1 43 VAL H 1 64 VAL QG . . 6.310 4.118 3.225 4.675 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
288 1 43 VAL HA 1 44 GLY H . . 2.200 2.357 2.249 2.479 0.279 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
289 1 43 VAL HA 1 64 VAL H . . 5.000 4.886 4.359 5.208 0.208 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
290 1 43 VAL HA 1 106 LEU H . . 6.000 5.245 4.682 5.958 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
291 1 43 VAL HA 1 107 SER H . . 3.640 3.259 2.744 3.644 0.004 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
292 1 43 VAL HB 1 44 GLY H . . 4.480 3.978 3.743 4.247 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
293 1 43 VAL HB 1 62 SER H . . 4.000 3.580 2.563 3.890 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
294 1 43 VAL QG 1 44 GLY H . . 5.310 2.078 1.823 2.471 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
295 1 43 VAL QG 1 62 SER H . . 7.440 3.774 3.142 4.265 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
296 1 43 VAL QG 1 107 SER H . . 8.120 4.308 3.883 4.640 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
297 1 43 VAL N 1 62 SER O . . 3.000 2.663 2.530 2.961 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
298 1 44 GLY H 1 45 GLN H . . 5.510 4.034 2.529 4.449 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
299 1 44 GLY H 1 105 GLY H . . 3.610 3.527 3.134 3.783 0.173 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
300 1 44 GLY H 1 105 GLY O . . 2.000 2.018 1.733 2.155 0.155 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
301 1 44 GLY H 1 106 LEU HA . . 3.570 3.178 2.633 3.648 0.078 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
302 1 44 GLY QA 1 45 GLN H . . 2.780 2.286 2.177 2.461 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
303 1 44 GLY QA 1 62 SER H . . 6.880 6.070 5.877 6.363 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
304 1 44 GLY HA2 1 45 GLN H . . 3.300 2.751 2.215 3.628 0.328 7 0 "[ . 1 . 2 . 3 . 4 ]" 1
305 1 44 GLY HA3 1 45 GLN H . . 3.300 2.679 2.312 3.208 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
306 1 44 GLY N 1 105 GLY O . . 3.000 2.875 2.675 3.026 0.026 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
307 1 45 GLN H 1 45 GLN QB . . 3.440 2.872 2.358 3.259 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
308 1 45 GLN H 1 46 CYS HB2 . . 6.000 5.430 4.683 5.990 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
309 1 45 GLN H 1 46 CYS HB3 . . 6.000 5.898 5.432 6.304 0.304 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
310 1 45 GLN H 1 57 ASN HB2 . . 6.000 5.029 4.202 6.063 0.063 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
311 1 45 GLN H 1 57 ASN QB . . 5.510 3.770 2.751 5.014 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
312 1 45 GLN H 1 57 ASN HB3 . . 6.000 3.912 2.789 5.358 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
313 1 45 GLN H 1 104 VAL QG . . 6.990 4.437 3.475 4.864 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
314 1 45 GLN HA 1 46 CYS H . . 2.240 2.209 2.201 2.243 0.003 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
315 1 45 GLN HA 1 103 GLN H . . 6.000 4.394 4.092 4.762 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
316 1 45 GLN HA 1 105 GLY H . . 3.570 3.157 2.341 3.633 0.063 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
317 1 45 GLN QB 1 57 ASN H . . 6.880 4.226 4.016 4.558 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
318 1 45 GLN QE 1 57 ASN QB . . 5.460 4.466 4.233 4.638 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
319 1 45 GLN QE 1 79 ARG H . . 4.700 3.867 3.530 4.093 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
320 1 45 GLN QE 1 79 ARG QB . . 7.740 4.102 3.032 5.057 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
321 1 45 GLN QE 1 82 PHE QD . . 6.340 4.421 2.962 5.265 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
322 1 45 GLN QE 1 82 PHE QE . . 6.080 3.604 2.669 5.045 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
323 1 45 GLN QE 1 102 CYS QB . . 5.510 2.724 1.750 3.774 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
324 1 45 GLN QE 1 103 GLN QB . . 5.810 4.882 4.734 5.023 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
325 1 45 GLN QE 1 104 VAL QG . . 6.520 2.838 1.660 3.848 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
326 1 45 GLN HE21 1 79 ARG H . . 5.430 5.106 4.854 5.304 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
327 1 45 GLN HE21 1 82 PHE QD . . 6.720 5.139 3.169 6.243 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
328 1 45 GLN HE21 1 82 PHE QE . . 6.220 4.074 2.816 5.598 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
329 1 45 GLN HE21 1 102 CYS HB2 . . 6.000 3.533 2.238 5.290 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
330 1 45 GLN HE21 1 102 CYS HB3 . . 6.000 3.797 1.907 5.284 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
331 1 45 GLN HE21 1 103 GLN HB2 . . 6.750 5.795 5.376 6.447 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
332 1 45 GLN HE21 1 103 GLN HB3 . . 6.750 5.922 5.527 6.394 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
333 1 45 GLN HE21 1 104 VAL MG1 . . 8.290 4.531 3.629 6.232 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
334 1 45 GLN HE21 1 104 VAL MG2 . . 8.290 3.462 2.187 4.912 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
335 1 45 GLN HE21 1 121 PHE QR . . 8.480 4.029 3.137 6.330 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
336 1 45 GLN HE22 1 79 ARG H . . 5.430 4.006 3.615 4.261 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
337 1 45 GLN HE22 1 82 PHE QD . . 6.720 4.922 3.219 6.082 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
338 1 45 GLN HE22 1 82 PHE QE . . 6.220 4.189 2.765 5.942 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
339 1 45 GLN HE22 1 102 CYS HB2 . . 6.000 3.662 2.436 4.889 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
340 1 45 GLN HE22 1 102 CYS HB3 . . 6.000 3.974 1.988 5.397 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
341 1 45 GLN HE22 1 103 GLN HB2 . . 6.750 6.617 6.281 6.926 0.176 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
342 1 45 GLN HE22 1 103 GLN HB3 . . 6.750 6.678 6.294 6.923 0.173 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
343 1 45 GLN HE22 1 104 VAL MG1 . . 8.290 4.387 2.868 5.768 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
344 1 45 GLN HE22 1 104 VAL MG2 . . 8.290 3.510 1.692 4.980 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
345 1 45 GLN HE22 1 121 PHE QR . . 8.480 2.748 1.890 5.128 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
346 1 45 GLN O 1 57 ASN H . . 2.000 1.901 1.704 2.134 0.134 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
347 1 45 GLN O 1 57 ASN N . . 3.000 2.624 2.460 2.956 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
348 1 45 GLN OE1 1 79 ARG H . . 2.000 2.261 2.031 2.499 0.499 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
349 1 45 GLN OE1 1 79 ARG N . . 3.000 2.821 2.523 3.221 0.221 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
350 1 46 CYS CB 1 56 CYS SG . . 3.100 3.119 2.959 3.274 0.174 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
351 1 46 CYS H 1 46 CYS QB . . 3.540 2.693 2.602 2.806 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
352 1 46 CYS H 1 56 CYS HA . . 5.000 4.453 4.164 4.688 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
353 1 46 CYS H 1 57 ASN QB . . 6.880 4.568 4.328 4.904 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
354 1 46 CYS H 1 103 GLN H . . 3.040 3.093 2.817 3.261 0.221 44 0 "[ . 1 . 2 . 3 . 4 ]" 1
355 1 46 CYS H 1 103 GLN QB . . 4.880 4.421 4.160 4.638 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
356 1 46 CYS H 1 103 GLN QG . . 4.450 2.407 1.980 2.837 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
357 1 46 CYS H 1 103 GLN O . . 2.000 2.115 1.932 2.234 0.234 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
358 1 46 CYS H 1 104 VAL HA . . 3.500 3.601 3.356 3.852 0.352 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
359 1 46 CYS H 1 104 VAL QG . . 8.590 4.524 3.655 4.984 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
360 1 46 CYS H 1 105 GLY H . . 4.710 4.387 3.843 4.795 0.085 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
361 1 46 CYS HA 1 47 ALA H . . 2.900 2.656 2.559 2.759 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
362 1 46 CYS HA 1 56 CYS H . . 5.000 4.624 4.364 4.893 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
363 1 46 CYS HA 1 57 ASN H . . 2.430 2.552 2.368 2.719 0.289 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
364 1 46 CYS QB 1 47 ALA H . . 2.790 2.213 2.032 2.403 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
365 1 46 CYS HB2 1 47 ALA H . . 3.000 3.162 3.013 3.306 0.306 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
366 1 46 CYS HB3 1 47 ALA H . . 3.000 2.260 2.060 2.474 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
367 1 46 CYS N 1 103 GLN O . . 3.000 2.927 2.735 3.062 0.062 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
368 1 46 CYS O 1 103 GLN H . . 2.000 1.761 1.571 1.979 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
369 1 46 CYS O 1 103 GLN N . . 3.000 2.707 2.497 2.954 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
370 1 46 CYS SG 1 56 CYS CB . . 3.100 3.175 2.984 3.292 0.192 8 0 "[ . 1 . 2 . 3 . 4 ]" 1
371 1 46 CYS SG 1 56 CYS SG . . 2.100 2.009 1.855 2.136 0.036 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
372 1 47 ALA H 1 48 TRP H . . 6.000 4.092 3.531 4.435 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
373 1 47 ALA H 1 54 LEU HA . . 6.000 4.300 3.779 5.103 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
374 1 47 ALA H 1 54 LEU QB . . 5.820 4.964 4.513 5.271 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
375 1 47 ALA H 1 54 LEU QD . . 7.990 2.863 2.090 3.524 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
376 1 47 ALA H 1 55 ALA MB . . 7.030 3.539 3.129 3.991 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
377 1 47 ALA H 1 55 ALA O . . 2.000 1.892 1.743 2.067 0.067 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
378 1 47 ALA H 1 56 CYS HA . . 5.000 3.059 2.761 3.356 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
379 1 47 ALA H 1 57 ASN QB . . 5.880 5.140 4.916 5.366 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
380 1 47 ALA H 1 92 TRP HD1 . . 6.000 5.867 4.226 6.278 0.278 44 0 "[ . 1 . 2 . 3 . 4 ]" 1
381 1 47 ALA HA 1 48 TRP H . . 2.960 2.279 2.188 2.621 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
382 1 47 ALA HA 1 102 CYS H . . 4.210 4.358 4.124 4.595 0.385 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
383 1 47 ALA HA 1 103 GLN H . . 3.420 3.081 2.577 3.499 0.079 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
384 1 47 ALA N 1 55 ALA O . . 3.000 2.657 2.524 2.802 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
385 1 47 ALA O 1 55 ALA H . . 2.000 1.973 1.766 2.146 0.146 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
386 1 47 ALA O 1 55 ALA N . . 3.000 2.796 2.581 3.051 0.051 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
387 1 48 TRP H 1 48 TRP HD1 . . 5.700 4.360 2.077 5.467 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
388 1 48 TRP H 1 101 ALA MB . . 7.030 5.082 3.454 5.808 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
389 1 48 TRP H 1 102 CYS HA . . 5.430 2.982 2.077 3.981 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
390 1 49 VAL H 1 49 VAL MG1 . . 4.440 3.790 3.665 3.907 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
391 1 49 VAL H 1 49 VAL MG2 . . 4.440 2.562 1.989 3.096 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
392 1 49 VAL H 1 53 VAL H . . 4.060 4.090 3.351 4.268 0.208 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
393 1 49 VAL H 1 53 VAL HB . . 6.000 3.581 2.799 4.294 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
394 1 49 VAL H 1 53 VAL QG . . 8.590 3.740 2.493 4.421 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
395 1 49 VAL H 1 53 VAL O . . 2.000 1.951 1.721 2.104 0.104 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
396 1 49 VAL H 1 54 LEU HA . . 3.230 2.677 2.296 3.273 0.043 44 0 "[ . 1 . 2 . 3 . 4 ]" 1
397 1 49 VAL H 1 55 ALA MB . . 7.030 4.951 3.866 5.771 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
398 1 49 VAL HA 1 50 ASP H . . 3.300 3.448 3.116 3.596 0.296 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
399 1 49 VAL HB 1 50 ASP H . . 2.960 2.202 1.843 3.063 0.103 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
400 1 49 VAL HB 1 92 TRP HE1 . . 5.700 3.934 2.098 5.728 0.028 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
401 1 49 VAL QG 1 50 ASP H . . 6.010 2.343 1.845 3.488 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
402 1 49 VAL QG 1 53 VAL H . . 8.590 4.513 3.897 4.946 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
403 1 49 VAL QG 1 55 ALA H . . 6.070 2.906 1.947 3.704 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
404 1 49 VAL MG1 1 50 ASP H . . 6.800 2.468 1.851 4.002 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
405 1 49 VAL MG1 1 55 ALA H . . 7.030 5.461 4.543 5.964 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
406 1 49 VAL MG1 1 92 TRP HE1 . . 7.030 3.773 1.868 5.581 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
407 1 49 VAL MG2 1 50 ASP H . . 6.800 3.636 3.513 4.032 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
408 1 49 VAL MG2 1 55 ALA H . . 7.030 2.920 1.949 3.741 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
409 1 49 VAL MG2 1 92 TRP HE1 . . 7.030 2.526 1.812 3.836 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
410 1 49 VAL N 1 53 VAL O . . 3.000 2.830 2.648 3.022 0.022 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
411 1 50 ASP H 1 50 ASP HB2 . . 4.100 2.462 1.987 3.297 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
412 1 50 ASP H 1 50 ASP HB3 . . 4.100 3.270 2.734 3.802 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
413 1 50 ASP H 1 53 VAL H . . 3.950 3.394 2.799 4.004 0.054 44 0 "[ . 1 . 2 . 3 . 4 ]" 1
414 1 50 ASP H 1 53 VAL HB . . 2.920 2.202 1.869 3.004 0.084 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
415 1 50 ASP H 1 53 VAL QG . . 8.210 2.997 2.352 3.680 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
416 1 50 ASP HA 1 51 THR H . . 2.900 2.751 2.275 2.955 0.055 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
417 1 50 ASP HA 1 52 GLY H . . 5.000 4.862 3.253 5.255 0.255 7 0 "[ . 1 . 2 . 3 . 4 ]" 1
418 1 50 ASP QB 1 53 VAL H . . 6.880 3.335 2.569 5.858 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
419 1 51 THR H 1 51 THR HA . . 2.900 2.595 2.222 2.885 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
420 1 51 THR H 1 51 THR HB . . 3.300 2.700 2.069 3.335 0.035 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
421 1 51 THR H 1 53 VAL H . . 4.000 3.759 2.428 4.075 0.075 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
422 1 51 THR HA 1 53 VAL H . . 4.000 3.889 3.678 4.255 0.255 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
423 1 51 THR HB 1 53 VAL H . . 5.000 4.814 4.052 5.204 0.204 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
424 1 51 THR MG 1 52 GLY H . . 4.330 3.122 2.026 3.676 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
425 1 52 GLY H 1 53 VAL H . . 3.950 2.569 2.141 3.161 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
426 1 52 GLY H 1 53 VAL HB . . 5.000 4.725 4.180 5.117 0.117 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
427 1 53 VAL H 1 53 VAL HB . . 2.660 2.608 2.190 2.833 0.173 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
428 1 53 VAL HA 1 54 LEU H . . 2.690 2.416 2.183 2.847 0.157 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
429 1 53 VAL HB 1 54 LEU H . . 4.060 4.289 4.125 4.518 0.458 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
430 1 53 VAL QG 1 54 LEU H . . 8.210 3.067 2.199 3.808 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
431 1 54 LEU H 1 54 LEU HB2 . . 3.000 2.961 2.547 3.126 0.126 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
432 1 54 LEU H 1 54 LEU QB . . 2.570 2.466 2.185 2.681 0.111 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
433 1 54 LEU H 1 54 LEU HB3 . . 3.000 2.683 2.241 3.033 0.033 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
434 1 54 LEU HA 1 55 ALA H . . 2.200 2.204 2.177 2.317 0.117 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
435 1 54 LEU QB 1 55 ALA H . . 4.640 3.896 3.536 4.061 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
436 1 54 LEU QD 1 55 ALA H . . 7.950 3.261 2.042 4.036 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
437 1 55 ALA H 1 84 GLY QA . . 6.880 4.943 4.304 6.049 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
438 1 55 ALA H 1 86 LEU HA . . 5.000 4.520 4.042 5.347 0.347 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
439 1 55 ALA HA 1 56 CYS H . . 2.200 2.231 2.186 2.400 0.200 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
440 1 55 ALA HA 1 86 LEU HA . . 5.000 2.657 1.966 3.416 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
441 1 55 ALA HA 1 87 PHE H . . 5.000 5.119 4.712 5.274 0.274 22 0 "[ . 1 . 2 . 3 . 4 ]" 1
442 1 55 ALA MB 1 84 GLY H . . 6.800 3.515 1.844 5.138 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
443 1 55 ALA MB 1 85 PHE H . . 7.030 2.985 2.311 3.654 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
444 1 55 ALA MB 1 93 GLY H . . 5.000 4.119 2.455 4.471 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
445 1 56 CYS H 1 56 CYS HB2 . . 3.380 2.103 2.023 2.390 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
446 1 56 CYS H 1 56 CYS QB . . 2.930 2.081 2.006 2.345 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
447 1 56 CYS H 1 56 CYS HB3 . . 3.380 3.330 2.916 3.439 0.059 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
448 1 56 CYS H 1 84 GLY QA . . 5.880 4.176 3.350 5.260 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
449 1 56 CYS H 1 85 PHE O . . 2.000 1.997 1.778 2.228 0.228 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
450 1 56 CYS H 1 92 TRP HD1 . . 6.000 5.721 4.892 6.180 0.180 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
451 1 56 CYS QB 1 57 ASN H . . 3.780 2.791 2.337 3.242 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
452 1 56 CYS N 1 85 PHE O . . 3.000 2.785 2.525 3.055 0.055 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
453 1 56 CYS O 1 85 PHE H . . 2.000 1.934 1.749 2.126 0.126 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
454 1 56 CYS O 1 85 PHE N . . 3.000 2.823 2.564 3.040 0.040 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
455 1 57 ASN H 1 57 ASN HA . . 2.850 2.914 2.908 2.917 0.067 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
456 1 57 ASN H 1 57 ASN HB2 . . 2.880 2.740 2.608 2.934 0.054 44 0 "[ . 1 . 2 . 3 . 4 ]" 1
457 1 57 ASN H 1 57 ASN QB . . 2.630 2.427 2.333 2.473 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
458 1 57 ASN H 1 57 ASN HB3 . . 2.880 2.720 2.449 2.862 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
459 1 57 ASN H 1 84 GLY QA . . 6.880 4.508 3.721 5.578 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
460 1 57 ASN O 1 60 ASP H . . 2.000 2.254 2.122 2.348 0.348 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
461 1 57 ASN O 1 60 ASP N . . 3.000 3.179 3.078 3.283 0.283 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
462 1 59 ALA H 1 59 ALA MB . . 3.610 2.465 2.191 2.604 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
463 1 59 ALA H 1 60 ASP H . . 3.190 1.837 1.709 2.272 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
464 1 59 ALA H 1 60 ASP QB . . 4.680 4.070 3.683 4.343 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
465 1 59 ALA H 1 61 PHE H . . 4.370 4.466 4.343 4.632 0.262 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
466 1 59 ALA HA 1 60 ASP H . . 3.380 3.291 3.229 3.468 0.088 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
467 1 59 ALA HA 1 61 PHE H . . 4.670 3.863 3.209 4.858 0.188 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
468 1 59 ALA MB 1 60 ASP H . . 3.990 3.407 3.108 3.480 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
469 1 59 ALA MB 1 61 PHE H . . 6.380 4.762 4.211 5.256 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
470 1 60 ASP H 1 60 ASP HA . . 2.810 2.655 2.605 2.780 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
471 1 60 ASP H 1 60 ASP HB2 . . 3.420 3.454 2.836 3.577 0.157 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
472 1 60 ASP H 1 60 ASP QB . . 2.940 2.598 2.048 2.784 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
473 1 60 ASP H 1 60 ASP HB3 . . 3.420 2.712 2.090 3.485 0.065 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
474 1 60 ASP H 1 61 PHE H . . 2.800 2.976 2.806 3.091 0.291 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
475 1 60 ASP H 1 62 SER H . . 6.000 5.318 4.619 5.614 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
476 1 60 ASP HA 1 62 SER H . . 6.000 3.851 3.614 4.127 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
477 1 60 ASP QB 1 61 PHE H . . 3.920 2.998 2.050 3.351 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
478 1 60 ASP QB 1 62 SER H . . 4.220 3.216 2.069 4.010 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
479 1 60 ASP QB 1 77 THR H . . 6.880 5.920 4.711 6.260 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
480 1 61 PHE H 1 61 PHE HA . . 2.540 2.209 2.202 2.228 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
481 1 61 PHE H 1 62 SER H . . 3.830 3.497 2.800 3.768 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
482 1 62 SER H 1 62 SER QB . . 3.570 2.288 2.137 2.556 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
483 1 62 SER H 1 63 SER H . . 5.000 4.658 4.612 4.675 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
484 1 62 SER H 1 77 THR MG . . 5.010 4.144 3.688 4.383 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
485 1 62 SER HA 1 63 SER H . . 2.280 2.395 2.314 2.530 0.250 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
486 1 63 SER H 1 64 VAL H . . 4.750 4.286 4.178 4.366 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
487 1 63 SER H 1 64 VAL HB . . 5.000 4.666 4.149 5.267 0.267 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
488 1 63 SER H 1 76 LEU HA . . 6.000 6.112 5.511 6.301 0.301 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
489 1 63 SER HA 1 64 VAL H . . 2.230 2.314 2.243 2.401 0.171 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
490 1 64 VAL H 1 64 VAL HA . . 2.920 2.920 2.886 2.941 0.021 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
491 1 64 VAL H 1 64 VAL HB . . 3.610 3.131 2.644 3.575 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
492 1 64 VAL H 1 64 VAL QG . . 3.980 2.278 1.874 3.103 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
493 1 64 VAL H 1 65 THR H . . 4.940 4.367 4.171 4.525 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
494 1 64 VAL HA 1 65 THR H . . 2.800 2.613 2.299 2.975 0.175 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
495 1 64 VAL HB 1 73 SER H . . 5.000 4.763 4.113 5.154 0.154 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
496 1 64 VAL QG 1 65 THR H . . 4.060 1.821 1.669 2.205 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
497 1 64 VAL QG 1 66 ALA H . . 8.590 4.348 4.126 4.469 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
498 1 64 VAL QG 1 73 SER H . . 7.220 2.132 1.742 2.510 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
499 1 64 VAL MG1 1 65 THR H . . 4.750 3.007 1.805 3.962 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
500 1 64 VAL MG2 1 65 THR H . . 4.750 1.911 1.731 3.438 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
501 1 65 THR H 1 65 THR HA . . 2.920 2.935 2.904 2.949 0.029 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
502 1 65 THR H 1 65 THR HB . . 2.540 2.484 2.273 2.712 0.172 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
503 1 65 THR H 1 72 ALA MB . . 5.000 3.905 3.512 4.061 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
504 1 65 THR HA 1 66 ALA H . . 2.580 2.355 2.221 2.521 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
505 1 65 THR HB 1 66 ALA H . . 4.900 4.097 3.704 4.340 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
506 1 65 THR MG 1 66 ALA H . . 3.950 2.058 1.776 2.533 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
507 1 65 THR MG 1 67 ASP H . . 6.000 4.758 4.451 4.884 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
508 1 66 ALA H 1 66 ALA MB . . 3.490 2.061 1.936 2.221 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
509 1 66 ALA H 1 67 ASP H . . 5.000 4.575 4.477 4.620 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
510 1 66 ALA HA 1 67 ASP H . . 2.770 2.566 2.295 2.777 0.007 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
511 1 66 ALA MB 1 67 ASP H . . 4.030 2.393 1.952 2.954 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
512 1 66 ALA MB 1 68 ALA H . . 7.030 4.744 4.583 5.058 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
513 1 66 ALA MB 1 71 SER H . . 5.660 3.603 3.386 3.873 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
514 1 67 ASP H 1 67 ASP HA . . 2.880 2.909 2.886 2.917 0.037 22 0 "[ . 1 . 2 . 3 . 4 ]" 1
515 1 67 ASP H 1 67 ASP HB2 . . 3.950 3.718 3.598 3.856 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
516 1 67 ASP H 1 67 ASP QB . . 3.600 3.085 2.944 3.145 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
517 1 67 ASP H 1 67 ASP HB3 . . 3.950 3.297 3.124 3.398 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
518 1 67 ASP H 1 68 ALA H . . 6.000 4.258 4.191 4.368 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
519 1 67 ASP H 1 68 ALA MB . . 7.030 5.128 4.977 5.379 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
520 1 67 ASP H 1 70 GLY H . . 3.420 2.602 2.300 2.887 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
521 1 67 ASP H 1 71 SER H . . 3.300 2.740 2.531 2.893 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
522 1 67 ASP H 1 71 SER O . . 2.000 2.092 2.018 2.163 0.163 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
523 1 67 ASP H 1 72 ALA MB . . 6.000 5.097 5.025 5.195 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
524 1 67 ASP HA 1 69 ASN H . . 5.000 5.064 4.657 5.251 0.251 11 0 "[ . 1 . 2 . 3 . 4 ]" 1
525 1 67 ASP QB 1 68 ALA H . . 3.410 3.254 3.009 3.371 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
526 1 67 ASP QB 1 69 ASN H . . 6.010 4.568 4.164 5.330 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
527 1 67 ASP HB2 1 68 ALA H . . 4.000 3.388 3.087 3.534 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
528 1 67 ASP HB3 1 68 ALA H . . 4.000 4.226 4.167 4.259 0.259 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
529 1 67 ASP N 1 71 SER O . . 3.000 2.622 2.412 2.944 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
530 1 67 ASP O 1 70 GLY H . . 2.000 1.678 1.576 1.999 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
531 1 67 ASP O 1 70 GLY N . . 3.000 2.599 2.484 2.886 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
532 1 67 ASP OD1 1 71 SER H . . 2.000 2.241 2.157 2.335 0.335 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
533 1 67 ASP OD1 1 71 SER N . . 3.000 2.789 2.671 2.939 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
534 1 68 ALA H 1 70 GLY H . . 4.290 4.399 4.263 4.560 0.270 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
535 1 68 ALA HA 1 69 ASN H . . 3.340 3.198 2.343 3.592 0.252 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
536 1 68 ALA MB 1 70 GLY H . . 5.930 4.285 3.910 4.926 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
537 1 69 ASN H 1 69 ASN HB2 . . 3.500 2.671 2.043 3.818 0.318 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
538 1 69 ASN H 1 69 ASN HB3 . . 3.500 3.401 3.105 3.535 0.035 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
539 1 69 ASN H 1 70 GLY H . . 2.880 2.776 2.187 3.068 0.188 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
540 1 69 ASN H 1 70 GLY QA . . 6.880 4.362 3.541 4.751 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
541 1 69 ASN QB 1 70 GLY H . . 4.550 2.630 2.455 2.808 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
542 1 69 ASN QB 1 71 SER H . . 3.940 2.617 2.343 2.746 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
543 1 69 ASN HB2 1 70 GLY H . . 5.050 3.316 2.716 4.136 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
544 1 69 ASN HB2 1 71 SER H . . 4.400 3.584 2.933 4.323 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
545 1 69 ASN HB3 1 70 GLY H . . 5.050 2.869 2.518 3.130 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
546 1 69 ASN HB3 1 71 SER H . . 4.400 2.750 2.365 3.102 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
547 1 70 GLY H 1 70 GLY HA2 . . 2.960 2.478 2.419 2.525 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
548 1 70 GLY H 1 70 GLY QA . . 2.560 2.358 2.316 2.390 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
549 1 70 GLY H 1 70 GLY HA3 . . 2.960 2.959 2.955 2.962 0.002 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
550 1 70 GLY H 1 71 SER H . . 2.200 1.941 1.829 2.204 0.004 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
551 1 71 SER H 1 71 SER QB . . 3.680 2.115 2.003 2.380 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
552 1 71 SER H 1 72 ALA H . . 5.000 4.593 4.527 4.627 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
553 1 71 SER HA 1 72 ALA H . . 2.900 2.271 2.228 2.327 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
554 1 72 ALA HA 1 73 SER H . . 3.000 2.442 2.332 2.581 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
555 1 73 SER H 1 74 THR H . . 4.210 3.790 3.534 4.084 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
556 1 73 SER H 1 74 THR HB . . 4.440 3.462 3.221 4.041 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
557 1 73 SER HA 1 74 THR H . . 2.620 2.226 2.215 2.255 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
558 1 73 SER QB 1 74 THR H . . 4.060 3.546 3.304 3.677 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
559 1 74 THR H 1 74 THR HA . . 2.880 2.765 2.721 2.786 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
560 1 74 THR H 1 74 THR HB . . 3.760 3.358 3.171 3.718 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
561 1 74 THR H 1 74 THR MG . . 4.060 3.084 2.663 3.444 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
562 1 74 THR H 1 75 SER H . . 5.280 4.276 3.831 4.357 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
563 1 74 THR HB 1 75 SER H . . 4.000 3.815 3.337 4.100 0.100 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
564 1 74 THR MG 1 75 SER H . . 4.980 2.261 1.876 3.418 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
565 1 75 SER H 1 76 LEU HA . . 5.000 5.009 4.510 5.212 0.212 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
566 1 75 SER HA 1 76 LEU H . . 2.900 2.236 2.215 2.295 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
567 1 75 SER QB 1 76 LEU H . . 4.100 3.267 2.986 3.602 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
568 1 76 LEU H 1 76 LEU HA . . 2.810 2.935 2.918 2.940 0.130 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
569 1 76 LEU H 1 76 LEU HB2 . . 3.300 2.379 2.193 2.624 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
570 1 76 LEU H 1 76 LEU QB . . 2.920 2.343 2.167 2.572 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
571 1 76 LEU H 1 76 LEU HB3 . . 3.300 3.521 3.127 3.747 0.447 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
572 1 76 LEU H 1 78 VAL QG . . 6.560 4.272 4.030 4.560 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
573 1 76 LEU QB 1 77 THR H . . 4.750 3.016 2.550 3.561 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
574 1 76 LEU QB 1 79 ARG H . . 6.880 5.716 5.442 6.023 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
575 1 76 LEU QB 1 79 ARG HE . . 5.880 5.081 4.871 5.315 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
576 1 77 THR H 1 77 THR HA . . 2.900 2.899 2.843 2.935 0.035 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
577 1 77 THR H 1 77 THR HB . . 2.900 2.780 2.550 2.968 0.068 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
578 1 77 THR H 1 77 THR MG . . 3.990 1.896 1.807 2.107 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
579 1 77 THR H 1 78 VAL H . . 4.590 4.266 3.979 4.493 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
580 1 77 THR H 1 104 VAL QG . . 8.590 4.050 3.562 4.464 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
581 1 77 THR HA 1 79 ARG H . . 4.000 4.356 4.206 4.487 0.487 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
582 1 77 THR HA 1 79 ARG HE . . 5.000 4.746 3.986 5.167 0.167 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
583 1 78 VAL H 1 78 VAL HB . . 2.500 2.589 2.331 2.804 0.304 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
584 1 78 VAL H 1 104 VAL HB . . 6.000 5.924 5.250 6.212 0.212 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
585 1 78 VAL H 1 104 VAL QG . . 6.690 4.053 3.529 4.569 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
586 1 79 ARG H 1 79 ARG HB2 . . 4.180 3.044 2.468 3.559 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
587 1 79 ARG H 1 79 ARG QB . . 3.480 2.563 2.426 2.731 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
588 1 79 ARG H 1 79 ARG HB3 . . 4.180 3.133 2.518 3.578 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
589 1 79 ARG H 1 104 VAL QG . . 6.040 3.791 3.082 4.547 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
590 1 79 ARG HA 1 80 ARG H . . 2.850 2.292 2.227 2.459 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
591 1 79 ARG HA 1 81 SER H . . 4.670 4.770 4.328 4.946 0.276 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
592 1 79 ARG HE 1 121 PHE QR . . 7.570 5.044 4.130 6.210 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
593 1 80 ARG H 1 80 ARG HB2 . . 3.570 2.932 2.056 3.515 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
594 1 80 ARG H 1 80 ARG QB . . 3.010 2.371 2.036 3.055 0.045 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
595 1 80 ARG H 1 80 ARG HB3 . . 3.570 2.535 2.252 3.397 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
596 1 80 ARG H 1 81 SER H . . 2.900 2.650 2.188 3.036 0.136 44 0 "[ . 1 . 2 . 3 . 4 ]" 1
597 1 80 ARG H 1 121 PHE HB2 . . 6.000 5.912 4.929 6.320 0.320 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
598 1 80 ARG H 1 121 PHE QB . . 5.450 4.539 4.035 4.899 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
599 1 80 ARG H 1 121 PHE HB3 . . 6.000 4.731 4.176 5.196 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
600 1 80 ARG QB 1 81 SER H . . 2.990 2.117 1.861 2.617 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
601 1 80 ARG HB2 1 81 SER H . . 3.490 3.440 2.438 3.859 0.369 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
602 1 80 ARG HB3 1 81 SER H . . 3.490 2.286 1.869 3.713 0.223 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
603 1 80 ARG O 1 97 CYS H . . 2.000 2.102 1.747 2.265 0.265 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
604 1 80 ARG O 1 97 CYS N . . 3.000 2.955 2.674 3.128 0.128 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
605 1 81 SER H 1 82 PHE H . . 5.320 4.378 4.047 4.575 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
606 1 81 SER HA 1 82 PHE H . . 2.730 2.281 2.215 2.463 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
607 1 81 SER HA 1 97 CYS H . . 3.910 2.480 1.896 2.987 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
608 1 81 SER QB 1 97 CYS H . . 6.880 3.977 2.514 4.822 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
609 1 82 PHE H 1 83 GLU H . . 4.860 4.388 4.262 4.670 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
610 1 82 PHE H 1 94 THR HA . . 5.470 4.265 3.637 5.905 0.435 44 0 "[ . 1 . 2 . 3 . 4 ]" 1
611 1 82 PHE H 1 94 THR MG . . 6.990 5.280 3.258 6.021 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
612 1 82 PHE H 1 95 VAL H . . 3.300 3.238 2.719 3.563 0.263 44 0 "[ . 1 . 2 . 3 . 4 ]" 1
613 1 82 PHE H 1 95 VAL MG1 . . 7.030 3.721 2.855 4.645 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
614 1 82 PHE H 1 95 VAL QG . . 5.610 3.577 2.838 4.278 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
615 1 82 PHE H 1 95 VAL MG2 . . 7.030 5.213 3.227 5.716 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
616 1 82 PHE H 1 95 VAL O . . 2.000 2.096 1.820 2.197 0.197 7 0 "[ . 1 . 2 . 3 . 4 ]" 1
617 1 82 PHE H 1 96 ASP HA . . 4.020 3.787 3.333 4.094 0.074 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
618 1 82 PHE H 1 97 CYS HA . . 5.000 4.952 3.894 5.389 0.389 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
619 1 82 PHE H 1 98 THR H . . 6.000 6.055 5.244 6.369 0.369 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
620 1 82 PHE HA 1 83 GLU H . . 2.810 2.621 2.254 2.899 0.089 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
621 1 82 PHE QB 1 83 GLU H . . 3.650 2.435 1.796 3.689 0.039 44 0 "[ . 1 . 2 . 3 . 4 ]" 1
622 1 82 PHE QD 1 83 GLU H . . 7.550 2.772 1.889 3.659 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
623 1 82 PHE QD 1 84 GLY H . . 8.120 3.859 1.903 5.880 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
624 1 82 PHE QD 1 85 PHE H . . 8.120 5.982 4.903 7.541 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
625 1 82 PHE N 1 95 VAL O . . 3.000 2.967 2.557 3.150 0.150 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
626 1 82 PHE O 1 95 VAL H . . 2.000 2.011 1.632 2.283 0.283 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
627 1 82 PHE O 1 95 VAL N . . 3.000 2.833 2.573 3.204 0.204 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
628 1 83 GLU H 1 83 GLU QB . . 3.380 2.811 2.277 3.206 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
629 1 83 GLU H 1 84 GLY H . . 5.000 4.107 2.882 4.560 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
630 1 83 GLU H 1 84 GLY QA . . 5.880 4.554 3.738 4.948 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
631 1 83 GLU HA 1 84 GLY H . . 2.210 2.296 2.201 2.536 0.326 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
632 1 83 GLU QB 1 84 GLY H . . 4.370 3.590 2.690 4.063 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
633 1 83 GLU QB 1 93 GLY H . . 6.880 3.784 1.809 6.323 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
634 1 84 GLY H 1 84 GLY QA . . 2.620 2.257 2.152 2.461 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
635 1 84 GLY H 1 85 PHE H . . 5.000 4.525 4.246 4.673 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
636 1 84 GLY H 1 92 TRP HD1 . . 6.000 4.504 2.181 5.546 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
637 1 84 GLY H 1 93 GLY H . . 3.500 2.828 1.863 3.863 0.363 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
638 1 84 GLY H 1 95 VAL QG . . 8.590 3.893 2.155 6.626 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
639 1 84 GLY QA 1 85 PHE H . . 2.690 2.265 2.169 2.334 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
640 1 84 GLY QA 1 93 GLY H . . 5.210 4.032 2.907 4.859 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
641 1 84 GLY HA2 1 85 PHE H . . 2.920 2.447 2.199 2.873 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
642 1 84 GLY HA3 1 85 PHE H . . 2.920 2.852 2.396 3.319 0.399 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
643 1 84 GLY O 1 92 TRP H . . 2.000 2.026 1.762 2.264 0.264 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
644 1 84 GLY O 1 92 TRP N . . 3.000 2.849 2.551 3.122 0.122 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
645 1 85 PHE H 1 85 PHE HB2 . . 3.300 2.702 2.186 3.711 0.411 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
646 1 85 PHE H 1 85 PHE QB . . 2.940 2.407 2.164 2.828 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
647 1 85 PHE H 1 85 PHE HB3 . . 3.300 3.196 2.369 3.588 0.288 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
648 1 85 PHE H 1 92 TRP HD1 . . 5.010 5.008 3.826 5.224 0.214 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
649 1 85 PHE HA 1 86 LEU H . . 3.230 2.246 2.193 2.351 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
650 1 85 PHE HA 1 87 PHE H . . 4.560 4.473 3.986 4.844 0.284 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
651 1 85 PHE HA 1 93 GLY H . . 6.000 4.982 3.456 6.171 0.171 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
652 1 85 PHE QB 1 86 LEU H . . 3.770 3.307 2.843 3.791 0.021 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
653 1 85 PHE HB2 1 86 LEU H . . 4.210 4.140 2.897 4.448 0.238 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
654 1 85 PHE HB3 1 86 LEU H . . 4.210 3.655 3.083 4.454 0.244 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
655 1 86 LEU H 1 86 LEU HB2 . . 4.060 2.205 1.980 2.695 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
656 1 86 LEU H 1 86 LEU QB . . 3.590 2.180 1.964 2.622 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
657 1 86 LEU H 1 86 LEU HB3 . . 4.060 3.469 3.280 3.593 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
658 1 86 LEU H 1 89 GLY QA . . 6.880 5.693 4.857 6.172 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
659 1 86 LEU H 1 90 THR H . . 4.250 3.712 2.942 4.454 0.204 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
660 1 86 LEU H 1 90 THR HA . . 5.000 4.885 4.026 5.446 0.446 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
661 1 86 LEU H 1 90 THR HB . . 5.920 4.598 2.956 6.003 0.083 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
662 1 86 LEU H 1 90 THR O . . 2.000 2.026 1.768 2.484 0.484 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
663 1 86 LEU HA 1 88 ASP H . . 4.710 4.621 3.489 5.037 0.327 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
664 1 86 LEU QB 1 87 PHE H . . 2.750 2.457 2.002 2.839 0.089 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
665 1 86 LEU QB 1 89 GLY H . . 6.880 3.095 2.434 3.624 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
666 1 86 LEU QB 1 90 THR H . . 4.060 2.343 1.851 3.649 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
667 1 86 LEU HB2 1 87 PHE H . . 3.070 2.610 2.037 3.113 0.043 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
668 1 86 LEU HB2 1 88 ASP H . . 3.070 3.199 2.924 3.545 0.475 44 0 "[ . 1 . 2 . 3 . 4 ]" 1
669 1 86 LEU HB2 1 90 THR H . . 4.290 2.478 1.874 3.898 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
670 1 86 LEU HB3 1 87 PHE H . . 3.070 3.032 2.765 3.318 0.248 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
671 1 86 LEU HB3 1 88 ASP H . . 3.070 2.866 2.260 3.258 0.188 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
672 1 86 LEU HB3 1 90 THR H . . 4.290 3.467 1.881 4.396 0.106 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
673 1 86 LEU N 1 90 THR O . . 3.000 2.820 2.453 3.094 0.094 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
674 1 87 PHE H 1 87 PHE HA . . 2.920 2.477 2.204 2.714 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
675 1 87 PHE H 1 87 PHE QB . . 3.530 3.032 2.908 3.098 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
676 1 87 PHE H 1 88 ASP H . . 3.260 2.123 1.759 2.724 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
677 1 87 PHE QB 1 88 ASP H . . 3.950 3.214 2.753 3.604 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
678 1 88 ASP H 1 88 ASP HA . . 2.900 2.816 2.694 2.917 0.017 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
679 1 88 ASP H 1 88 ASP HB2 . . 3.610 2.872 2.085 3.415 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
680 1 88 ASP H 1 88 ASP QB . . 3.050 2.634 2.063 3.031 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
681 1 88 ASP H 1 88 ASP HB3 . . 3.610 3.231 2.307 3.603 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
682 1 88 ASP H 1 89 GLY H . . 2.580 2.139 1.760 2.674 0.094 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
683 1 88 ASP H 1 89 GLY QA . . 6.880 3.823 3.454 4.352 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
684 1 88 ASP H 1 90 THR H . . 3.530 3.330 2.866 3.592 0.062 11 0 "[ . 1 . 2 . 3 . 4 ]" 1
685 1 88 ASP H 1 90 THR HB . . 6.000 5.374 4.057 6.437 0.437 44 0 "[ . 1 . 2 . 3 . 4 ]" 1
686 1 89 GLY H 1 89 GLY HA2 . . 2.810 2.816 2.652 2.955 0.145 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
687 1 89 GLY H 1 89 GLY HA3 . . 2.810 2.763 2.247 2.915 0.105 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
688 1 89 GLY H 1 90 THR H . . 2.470 2.156 1.848 2.741 0.271 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
689 1 89 GLY H 1 90 THR HA . . 5.000 4.194 3.847 5.053 0.053 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
690 1 89 GLY H 1 90 THR HB . . 6.000 4.302 3.293 5.496 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
691 1 89 GLY QA 1 90 THR H . . 3.200 2.711 2.514 2.922 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
692 1 90 THR H 1 90 THR HA . . 2.880 2.847 2.224 2.947 0.067 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
693 1 90 THR H 1 90 THR HB . . 2.880 2.827 2.161 3.216 0.336 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
694 1 90 THR H 1 90 THR MG . . 4.520 3.706 2.931 4.022 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
695 1 92 TRP HD1 1 93 GLY H . . 5.350 4.305 2.343 5.414 0.064 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
696 1 93 GLY H 1 94 THR H . . 5.620 4.018 2.699 4.499 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
697 1 93 GLY H 1 95 VAL QG . . 8.590 3.955 1.997 6.600 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
698 1 93 GLY QA 1 94 THR H . . 3.100 2.297 2.171 2.989 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
699 1 94 THR H 1 94 THR HB . . 2.580 2.591 2.089 2.909 0.329 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
700 1 94 THR H 1 95 VAL H . . 3.570 3.484 2.559 4.006 0.436 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
701 1 94 THR HA 1 95 VAL H . . 2.730 2.545 2.187 3.164 0.434 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
702 1 94 THR HB 1 95 VAL H . . 5.000 4.668 4.444 4.749 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
703 1 94 THR MG 1 95 VAL H . . 5.510 3.798 3.223 4.150 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
704 1 94 THR MG 1 96 ASP H . . 7.030 5.289 3.650 5.912 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
705 1 95 VAL H 1 95 VAL HB . . 2.900 2.795 2.124 3.292 0.392 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
706 1 95 VAL H 1 95 VAL QG . . 4.010 2.497 2.038 3.227 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
707 1 95 VAL HA 1 96 ASP H . . 2.660 2.476 2.183 3.158 0.498 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
708 1 95 VAL QG 1 96 ASP H . . 5.870 2.146 1.606 3.191 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
709 1 95 VAL QG 1 97 CYS H . . 8.590 3.932 3.376 4.633 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
710 1 95 VAL MG1 1 96 ASP H . . 7.030 3.021 1.816 3.833 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
711 1 95 VAL MG2 1 96 ASP H . . 7.030 2.300 1.789 4.054 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
712 1 96 ASP H 1 96 ASP HB2 . . 3.450 2.718 2.021 3.544 0.094 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
713 1 96 ASP H 1 96 ASP QB . . 3.220 2.537 2.004 2.952 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
714 1 96 ASP H 1 96 ASP HB3 . . 3.450 3.387 2.764 3.564 0.114 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
715 1 96 ASP HA 1 97 CYS H . . 2.260 2.279 2.252 2.363 0.103 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
716 1 96 ASP QB 1 99 THR H . . 5.170 2.771 1.929 4.919 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
717 1 97 CYS CB 1 102 CYS SG . . 3.100 2.948 2.662 3.280 0.180 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
718 1 97 CYS H 1 97 CYS HB2 . . 3.230 2.745 2.006 3.547 0.317 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
719 1 97 CYS H 1 97 CYS QB . . 2.920 2.170 1.989 2.370 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
720 1 97 CYS H 1 97 CYS HB3 . . 3.230 2.791 2.051 3.563 0.333 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
721 1 97 CYS H 1 98 THR MG . . 7.030 3.919 2.992 5.954 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
722 1 97 CYS H 1 99 THR H . . 6.000 4.113 3.775 4.813 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
723 1 97 CYS H 1 99 THR HB . . 5.010 5.154 4.884 5.352 0.342 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
724 1 97 CYS HA 1 99 THR H . . 4.000 3.602 2.794 4.125 0.125 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
725 1 97 CYS HA 1 100 ALA H . . 3.000 3.158 2.915 3.388 0.388 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
726 1 97 CYS QB 1 98 THR H . . 5.560 3.043 1.920 3.680 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
727 1 97 CYS HB2 1 98 THR H . . 6.000 3.672 2.567 4.484 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
728 1 97 CYS HB3 1 98 THR H . . 6.000 3.407 1.929 4.081 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
729 1 97 CYS SG 1 102 CYS CB . . 3.100 2.890 2.650 3.181 0.081 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
730 1 97 CYS SG 1 102 CYS SG . . 2.100 1.964 1.660 2.342 0.242 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
731 1 98 THR H 1 98 THR HA . . 2.660 2.737 2.224 2.875 0.215 11 0 "[ . 1 . 2 . 3 . 4 ]" 1
732 1 98 THR H 1 98 THR HB . . 3.870 2.486 1.984 3.849 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
733 1 98 THR H 1 98 THR MG . . 4.100 2.328 1.729 3.671 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
734 1 98 THR H 1 99 THR H . . 2.580 2.773 2.540 2.928 0.348 44 0 "[ . 1 . 2 . 3 . 4 ]" 1
735 1 98 THR H 1 99 THR HB . . 5.000 4.640 4.203 5.067 0.067 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
736 1 98 THR H 1 100 ALA H . . 4.000 4.112 3.565 4.283 0.283 44 0 "[ . 1 . 2 . 3 . 4 ]" 1
737 1 98 THR H 1 121 PHE HA . . 6.000 6.102 4.985 6.378 0.378 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
738 1 98 THR HA 1 121 PHE H . . 5.000 3.008 2.405 3.507 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
739 1 98 THR HB 1 99 THR H . . 5.000 4.125 3.129 4.585 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
740 1 98 THR MG 1 101 ALA H . . 6.000 4.846 4.282 5.170 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
741 1 98 THR MG 1 102 CYS H . . 7.030 5.687 4.856 5.985 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
742 1 99 THR H 1 99 THR HA . . 2.800 2.869 2.799 2.949 0.149 11 0 "[ . 1 . 2 . 3 . 4 ]" 1
743 1 99 THR H 1 99 THR HB . . 2.960 2.122 1.983 2.452 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
744 1 99 THR H 1 100 ALA H . . 2.900 2.423 1.827 2.676 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
745 1 99 THR HA 1 101 ALA H . . 6.000 3.961 3.567 5.197 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
746 1 99 THR HB 1 100 ALA H . . 3.680 3.283 3.008 3.514 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
747 1 100 ALA H 1 100 ALA HA . . 2.900 2.936 2.916 2.943 0.043 8 0 "[ . 1 . 2 . 3 . 4 ]" 1
748 1 100 ALA H 1 100 ALA MB . . 2.900 2.389 2.159 2.583 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
749 1 100 ALA H 1 101 ALA HA . . 5.160 4.125 3.776 4.430 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
750 1 101 ALA H 1 101 ALA HA . . 2.850 2.263 2.211 2.351 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
751 1 101 ALA H 1 101 ALA MB . . 3.500 2.642 2.418 3.042 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
752 1 101 ALA H 1 102 CYS H . . 4.440 3.307 2.562 3.672 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
753 1 101 ALA HA 1 102 CYS H . . 2.900 2.498 2.231 2.715 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
754 1 102 CYS H 1 102 CYS HB2 . . 3.300 2.980 2.007 3.553 0.253 8 0 "[ . 1 . 2 . 3 . 4 ]" 1
755 1 102 CYS H 1 102 CYS QB . . 2.980 2.369 1.986 2.959 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
756 1 102 CYS H 1 102 CYS HB3 . . 3.300 2.901 2.084 3.546 0.246 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
757 1 102 CYS HA 1 103 GLN H . . 2.900 2.689 2.480 2.825 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
758 1 102 CYS QB 1 103 GLN H . . 3.320 2.276 1.845 2.655 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
759 1 102 CYS HB2 1 103 GLN H . . 3.570 2.806 1.854 3.876 0.306 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
760 1 102 CYS HB3 1 103 GLN H . . 3.570 3.045 1.966 3.874 0.304 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
761 1 102 CYS O 1 119 ILE H . . 2.000 2.230 2.128 2.376 0.376 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
762 1 102 CYS O 1 119 ILE N . . 3.000 3.087 2.962 3.215 0.215 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
763 1 103 GLN H 1 103 GLN QB . . 3.760 3.119 2.725 3.327 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
764 1 103 GLN H 1 103 GLN QG . . 3.610 2.595 2.155 2.870 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
765 1 103 GLN H 1 104 VAL QG . . 7.710 4.548 3.608 5.135 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
766 1 103 GLN HA 1 104 VAL H . . 2.350 2.387 2.280 2.492 0.142 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
767 1 103 GLN HA 1 119 ILE H . . 5.000 2.540 2.094 2.905 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
768 1 103 GLN QB 1 104 VAL H . . 3.880 2.706 2.429 3.128 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
769 1 103 GLN QB 1 116 GLY H . . 4.330 3.631 2.687 3.952 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
770 1 103 GLN QB 1 119 ILE H . . 6.270 3.639 3.134 4.081 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
771 1 103 GLN QG 1 104 VAL H . . 4.370 3.721 3.316 4.007 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
772 1 103 GLN QG 1 115 GLU H . . 4.300 3.860 3.474 4.025 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
773 1 103 GLN QG 1 118 ALA H . . 6.880 4.902 4.439 5.524 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
774 1 104 VAL H 1 104 VAL HB . . 3.190 2.925 2.239 3.308 0.118 2 0 "[ . 1 . 2 . 3 . 4 ]" 1
775 1 104 VAL H 1 104 VAL QG . . 3.990 2.330 1.897 3.010 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
776 1 104 VAL H 1 117 VAL O . . 2.000 2.210 2.082 2.307 0.307 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
777 1 104 VAL H 1 118 ALA HA . . 6.000 4.340 3.939 4.703 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
778 1 104 VAL HA 1 105 GLY H . . 2.200 2.197 2.181 2.294 0.094 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
779 1 104 VAL HB 1 105 GLY H . . 4.780 4.415 4.175 4.612 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
780 1 104 VAL QG 1 105 GLY H . . 5.210 2.872 2.320 3.316 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
781 1 104 VAL N 1 117 VAL O . . 3.000 3.056 2.941 3.143 0.143 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
782 1 105 GLY H 1 105 GLY HA2 . . 2.850 2.948 2.885 2.961 0.111 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
783 1 105 GLY H 1 105 GLY QA . . 2.650 2.387 2.296 2.482 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
784 1 105 GLY H 1 105 GLY HA3 . . 2.850 2.526 2.393 2.707 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
785 1 105 GLY H 1 106 LEU H . . 5.000 4.387 4.202 4.534 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
786 1 105 GLY QA 1 106 LEU H . . 2.510 2.312 2.245 2.334 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
787 1 105 GLY HA2 1 106 LEU H . . 2.900 2.631 2.322 2.921 0.021 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
788 1 105 GLY HA3 1 106 LEU H . . 2.900 2.621 2.363 2.983 0.083 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
789 1 106 LEU H 1 106 LEU HB2 . . 3.300 2.609 2.079 3.653 0.353 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
790 1 106 LEU H 1 106 LEU QB . . 3.100 2.251 2.058 3.003 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
791 1 106 LEU H 1 106 LEU HB3 . . 3.300 3.087 2.119 3.655 0.355 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
792 1 106 LEU H 1 107 SER H . . 4.750 4.571 4.455 4.646 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
793 1 106 LEU HA 1 107 SER H . . 2.240 2.351 2.233 2.499 0.259 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
794 1 106 LEU QB 1 107 SER H . . 4.900 2.938 2.549 3.433 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
795 1 107 SER H 1 107 SER HB2 . . 3.490 3.010 2.436 3.665 0.175 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
796 1 107 SER H 1 107 SER HB3 . . 3.490 3.282 2.436 3.685 0.195 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
797 1 107 SER HA 1 108 ASP H . . 2.240 2.298 2.215 2.510 0.270 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
798 1 107 SER QB 1 108 ASP H . . 4.260 3.394 2.565 3.926 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
799 1 108 ASP H 1 108 ASP HB2 . . 4.100 3.230 2.867 3.448 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
800 1 108 ASP H 1 108 ASP QB . . 3.450 2.945 2.741 3.078 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
801 1 108 ASP H 1 108 ASP HB3 . . 4.100 3.419 3.201 3.498 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
802 1 108 ASP H 1 109 ALA H . . 5.580 4.514 4.408 4.655 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
803 1 108 ASP H 1 111 GLY H . . 4.480 3.465 2.964 3.871 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
804 1 108 ASP H 1 111 GLY QA . . 4.300 3.540 2.769 3.725 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
805 1 108 ASP H 1 112 ASN H . . 2.960 2.396 1.884 3.115 0.155 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
806 1 108 ASP HA 1 109 ALA H . . 2.500 2.668 2.526 2.781 0.281 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
807 1 108 ASP QB 1 109 ALA H . . 2.790 2.261 1.909 2.593 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
808 1 108 ASP QB 1 110 ALA H . . 6.880 2.223 1.836 2.860 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
809 1 108 ASP HB2 1 109 ALA H . . 3.000 2.410 1.925 3.012 0.012 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
810 1 108 ASP HB3 1 109 ALA H . . 3.000 2.942 2.336 3.163 0.163 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
811 1 108 ASP OD1 1 112 ASN H . . 2.000 2.043 1.777 2.249 0.249 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
812 1 108 ASP OD1 1 112 ASN N . . 3.000 2.690 2.492 2.844 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
813 1 109 ALA H 1 109 ALA MB . . 3.420 2.132 1.965 2.264 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
814 1 109 ALA H 1 110 ALA H . . 3.000 2.860 2.602 3.223 0.223 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
815 1 109 ALA H 1 110 ALA MB . . 6.000 3.951 3.720 4.279 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
816 1 109 ALA MB 1 111 GLY H . . 6.150 4.883 4.340 5.294 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
817 1 110 ALA H 1 111 GLY H . . 2.280 1.957 1.729 2.314 0.034 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
818 1 110 ALA H 1 111 GLY QA . . 5.550 3.759 3.491 4.216 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
819 1 110 ALA H 1 112 ASN H . . 3.260 3.199 2.120 3.716 0.456 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
820 1 110 ALA HA 1 111 GLY H . . 3.490 3.358 2.685 3.637 0.147 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
821 1 110 ALA MB 1 112 ASN H . . 6.990 4.317 2.678 5.612 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
822 1 111 GLY H 1 111 GLY QA . . 2.580 2.244 2.169 2.500 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
823 1 111 GLY H 1 112 ASN H . . 2.500 2.448 1.808 2.741 0.241 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
824 1 112 ASN H 1 112 ASN HB2 . . 3.300 3.080 2.013 3.771 0.471 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
825 1 112 ASN H 1 112 ASN QB . . 2.930 2.584 1.993 2.997 0.067 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
826 1 112 ASN H 1 112 ASN HB3 . . 3.300 3.134 2.179 3.696 0.396 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
827 1 112 ASN H 1 113 GLY H . . 5.280 4.572 4.260 4.675 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
828 1 112 ASN HA 1 113 GLY H . . 2.770 2.819 2.408 3.037 0.267 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
829 1 112 ASN QB 1 113 GLY H . . 3.040 2.215 1.919 2.822 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
830 1 112 ASN HB2 1 113 GLY H . . 3.420 2.957 2.028 3.628 0.208 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
831 1 112 ASN HB3 1 113 GLY H . . 3.420 2.815 1.928 3.607 0.187 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
832 1 113 GLY H 1 113 GLY QA . . 2.630 2.261 2.151 2.494 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
833 1 115 GLU H 1 115 GLU HA . . 2.850 2.640 2.170 2.920 0.070 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
834 1 115 GLU H 1 115 GLU QB . . 3.380 2.837 2.085 3.200 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
835 1 115 GLU QG 1 116 GLY H . . 6.880 4.082 2.209 4.734 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
836 1 116 GLY H 1 116 GLY HA2 . . 2.800 2.739 2.325 2.957 0.157 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
837 1 116 GLY H 1 116 GLY QA . . 2.470 2.288 2.152 2.500 0.030 7 0 "[ . 1 . 2 . 3 . 4 ]" 1
838 1 116 GLY H 1 116 GLY HA3 . . 2.800 2.556 2.245 2.960 0.160 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
839 1 117 VAL H 1 117 VAL MG1 . . 4.710 2.868 1.863 4.078 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
840 1 117 VAL H 1 117 VAL QG . . 3.760 2.386 1.858 2.891 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
841 1 117 VAL H 1 117 VAL MG2 . . 4.710 3.378 2.172 4.020 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
842 1 117 VAL H 1 118 ALA HA . . 5.000 4.771 4.187 5.218 0.218 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
843 1 117 VAL QG 1 118 ALA H . . 5.780 3.011 2.080 3.630 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
844 1 118 ALA H 1 119 ILE H . . 4.180 4.420 4.276 4.510 0.330 2 0 "[ . 1 . 2 . 3 . 4 ]" 1
845 1 118 ALA H 1 119 ILE HB . . 6.000 6.126 5.597 6.313 0.313 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
846 1 118 ALA HA 1 119 ILE H . . 2.580 2.198 2.186 2.244 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
847 1 119 ILE H 1 119 ILE HB . . 2.390 2.404 2.173 2.592 0.202 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
848 1 119 ILE H 1 119 ILE QG . . 3.680 3.084 2.458 3.448 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
849 1 119 ILE H 1 120 SER H . . 5.000 4.512 4.414 4.597 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
850 1 119 ILE HA 1 120 SER H . . 2.280 2.322 2.178 2.532 0.252 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
851 1 119 ILE QG 1 120 SER H . . 4.710 3.818 3.431 4.308 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
852 1 120 SER H 1 121 PHE H . . 5.580 4.259 3.825 4.467 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
853 1 120 SER HA 1 121 PHE H . . 2.240 2.252 2.216 2.357 0.117 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
854 1 120 SER HA 1 122 ASN H . . 6.000 5.384 3.137 6.427 0.427 44 0 "[ . 1 . 2 . 3 . 4 ]" 1
855 1 120 SER QB 1 122 ASN H . . 6.880 4.739 2.689 6.097 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
856 1 121 PHE H 1 121 PHE HB2 . . 3.110 2.376 2.100 2.720 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
857 1 121 PHE H 1 121 PHE QB . . 2.830 2.337 2.081 2.627 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
858 1 121 PHE H 1 121 PHE HB3 . . 3.110 3.497 3.399 3.546 0.436 22 0 "[ . 1 . 2 . 3 . 4 ]" 1
859 1 121 PHE H 1 122 ASN H . . 6.000 4.099 2.632 4.618 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
860 1 121 PHE HA 1 122 ASN H . . 3.040 2.488 2.194 3.277 0.237 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
861 1 121 PHE QB 1 122 ASN H . . 3.760 3.245 2.340 3.740 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
862 1 121 PHE QR 1 122 ASN H . . 8.480 4.368 3.588 4.751 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
863 1 122 ASN H 1 122 ASN HA . . 2.770 2.456 2.167 2.836 0.066 44 0 "[ . 1 . 2 . 3 . 4 ]" 1
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