NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
516271 |
1yji   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1yji
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 28
_Distance_constraint_stats_list.Viol_count 164
_Distance_constraint_stats_list.Viol_total 360.661
_Distance_constraint_stats_list.Viol_max 0.815
_Distance_constraint_stats_list.Viol_rms 0.1484
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1065
_Distance_constraint_stats_list.Viol_average_violations_only 0.1999
_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 38 ASP 1.339 0.341 5 0 "[ . 1 ]"
1 39 CYS 0.034 0.034 4 0 "[ . 1 ]"
1 40 GLY 2.769 0.277 2 0 "[ . 1 ]"
1 41 GLY 3.344 0.815 4 1 "[ +. 1 ]"
1 42 SER 5.072 0.408 4 0 "[ . 1 ]"
1 43 ALA 1.717 0.244 3 0 "[ . 1 ]"
1 44 SER 0.088 0.060 4 0 "[ . 1 ]"
1 45 CYS 0.000 0.000 . 0 "[ . 1 ]"
1 46 ALA 0.473 0.122 8 0 "[ . 1 ]"
1 47 THR 0.463 0.130 6 0 "[ . 1 ]"
1 48 CYS 6.860 0.539 3 2 "[ + .- 1 ]"
1 84 LEU 1.243 0.186 2 0 "[ . 1 ]"
1 85 CYS 5.508 0.547 7 5 "[* -*. +* 1 ]"
1 86 CYS 1.880 0.199 3 0 "[ . 1 ]"
1 87 GLN 1.996 0.375 4 0 "[ . 1 ]"
2 1 FES 32.787 0.815 4 6 "[* -+.*** 1 ]"
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 38 ASP N 2 1 FES FE1 4.500 4.000 5.000 5.070 4.752 5.341 0.341 5 0 "[ . 1 ]" 1
2 1 39 CYS N 2 1 FES FE1 3.600 3.100 4.100 3.908 3.781 4.029 . 0 0 "[ . 1 ]" 1
3 1 40 GLY N 2 1 FES FE1 4.400 3.900 4.900 4.844 3.873 5.010 0.110 2 0 "[ . 1 ]" 1
4 1 41 GLY N 2 1 FES FE1 4.900 4.400 5.400 4.248 4.182 4.511 0.218 8 0 "[ . 1 ]" 1
5 1 42 SER N 2 1 FES FE1 3.900 3.400 4.400 4.610 4.363 4.808 0.408 4 0 "[ . 1 ]" 1
6 1 43 ALA N 2 1 FES FE1 5.300 4.800 5.800 4.644 4.556 4.737 0.244 3 0 "[ . 1 ]" 1
7 1 44 SER N 2 1 FES FE1 3.800 3.300 4.300 4.186 4.025 4.360 0.060 4 0 "[ . 1 ]" 1
8 1 45 CYS N 2 1 FES FE1 3.700 3.200 4.200 3.668 3.572 3.861 . 0 0 "[ . 1 ]" 1
9 1 46 ALA N 2 1 FES FE1 5.100 4.600 5.600 4.844 4.478 5.087 0.122 8 0 "[ . 1 ]" 1
10 1 47 THR N 2 1 FES FE1 4.200 3.700 4.700 4.732 4.612 4.830 0.130 6 0 "[ . 1 ]" 1
11 1 48 CYS N 2 1 FES FE2 3.200 2.700 3.700 4.172 4.089 4.239 0.539 3 2 "[ + .- 1 ]" 1
12 1 84 LEU N 2 1 FES FE2 5.200 4.700 5.700 5.809 5.710 5.886 0.186 2 0 "[ . 1 ]" 1
13 1 85 CYS N 2 1 FES FE2 4.500 4.000 5.000 4.441 4.233 4.639 . 0 0 "[ . 1 ]" 1
14 1 86 CYS N 2 1 FES FE2 2.900 2.400 3.400 3.571 3.509 3.599 0.199 3 0 "[ . 1 ]" 1
15 1 87 GLN N 2 1 FES FE2 4.000 3.500 4.500 4.681 4.521 4.875 0.375 4 0 "[ . 1 ]" 1
16 1 38 ASP C 2 1 FES FE1 5.100 4.600 5.600 5.022 4.876 5.160 . 0 0 "[ . 1 ]" 1
17 1 39 CYS C 2 1 FES FE1 4.800 4.300 5.300 4.548 4.266 4.626 0.034 4 0 "[ . 1 ]" 1
18 1 40 GLY C 2 1 FES FE1 4.700 4.200 5.200 5.398 5.151 5.477 0.277 2 0 "[ . 1 ]" 1
19 1 41 GLY C 2 1 FES FE2 4.500 4.000 5.000 5.140 4.977 5.815 0.815 4 1 "[ +. 1 ]" 1
20 1 42 SER C 2 1 FES FE1 4.600 4.100 5.100 5.347 5.306 5.388 0.288 5 0 "[ . 1 ]" 1
21 1 43 ALA C 2 1 FES FE1 4.900 4.400 5.400 5.072 4.898 5.233 . 0 0 "[ . 1 ]" 1
22 1 44 SER C 2 1 FES FE1 4.800 4.300 5.300 4.492 4.370 4.699 . 0 0 "[ . 1 ]" 1
23 1 45 CYS C 2 1 FES FE1 4.300 3.800 4.800 4.043 3.913 4.222 . 0 0 "[ . 1 ]" 1
24 1 46 ALA C 2 1 FES FE1 5.100 4.600 5.600 5.528 5.333 5.681 0.081 10 0 "[ . 1 ]" 1
25 1 48 CYS C 2 1 FES FE2 4.300 3.800 4.800 4.952 4.833 5.142 0.342 3 0 "[ . 1 ]" 1
26 1 84 LEU C 2 1 FES FE2 3.900 3.400 4.400 4.296 4.178 4.447 0.047 5 0 "[ . 1 ]" 1
27 1 85 CYS C 2 1 FES FE2 3.700 3.200 4.200 4.701 4.617 4.747 0.547 7 5 "[* -*. +* 1 ]" 1
28 1 86 CYS C 2 1 FES FE2 4.500 4.000 5.000 4.748 4.516 4.866 . 0 0 "[ . 1 ]" 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 1122
_Distance_constraint_stats_list.Viol_count 1823
_Distance_constraint_stats_list.Viol_total 4593.965
_Distance_constraint_stats_list.Viol_max 1.632
_Distance_constraint_stats_list.Viol_rms 0.1181
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0338
_Distance_constraint_stats_list.Viol_average_violations_only 0.2291
_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 1 SER 1.336 0.243 5 0 "[ . 1 ]"
1 2 LYS 15.089 0.414 8 0 "[ . 1 ]"
1 3 VAL 21.183 0.581 11 1 "[ . 1+]"
1 4 VAL 10.847 0.672 7 11 [-*****+****]
1 5 TYR 28.244 0.824 8 11 [*****-*+***]
1 6 VAL 2.283 0.232 8 0 "[ . 1 ]"
1 7 SER 14.183 1.632 4 7 "[ **+* - **]"
1 8 HIS 6.172 0.274 1 0 "[ . 1 ]"
1 9 ASP 2.411 0.241 9 0 "[ . 1 ]"
1 10 GLY 0.210 0.050 4 0 "[ . 1 ]"
1 11 THR 5.829 0.329 1 0 "[ . 1 ]"
1 12 ARG 5.861 0.329 1 0 "[ . 1 ]"
1 13 ARG 19.581 1.632 4 9 "[ **+- *****]"
1 14 GLU 19.281 0.794 3 11 [**+*-******]
1 15 LEU 28.625 1.201 7 11 [******+**-*]
1 16 ASP 6.114 0.466 6 0 "[ . 1 ]"
1 17 VAL 21.120 1.201 7 11 [******+-***]
1 18 ALA 0.099 0.075 3 0 "[ . 1 ]"
1 19 ASP 8.738 0.372 5 0 "[ . 1 ]"
1 20 GLY 6.148 0.280 10 0 "[ . 1 ]"
1 21 VAL 12.861 0.702 3 10 "[*-+*** ****]"
1 22 SER 5.081 0.430 10 0 "[ . 1 ]"
1 23 LEU 7.715 0.421 1 0 "[ . 1 ]"
1 24 MET 2.618 0.333 8 0 "[ . 1 ]"
1 25 GLN 0.058 0.051 7 0 "[ . 1 ]"
1 26 ALA 8.503 0.551 9 3 "[ - *. +1 ]"
1 27 ALA 5.814 0.444 10 0 "[ . 1 ]"
1 28 VAL 2.509 0.340 3 0 "[ . 1 ]"
1 29 SER 3.257 0.335 5 0 "[ . 1 ]"
1 30 ASN 10.005 0.503 10 1 "[ . + ]"
1 31 GLY 4.016 0.346 3 0 "[ . 1 ]"
1 32 ILE 18.909 0.924 11 7 "[ -**. ***+]"
1 33 TYR 12.909 1.243 9 7 "[ -**. *+**]"
1 34 ASP 6.001 1.243 9 4 "[-* .* +1 ]"
1 35 ILE 1.667 0.556 6 2 "[- .+ 1 ]"
1 45 CYS 0.000 0.000 . 0 "[ . 1 ]"
1 47 THR 0.000 0.000 . 0 "[ . 1 ]"
1 49 HIS 16.297 0.537 6 2 "[ - .+ 1 ]"
1 50 VAL 5.768 0.366 3 0 "[ . 1 ]"
1 51 TYR 21.412 0.620 1 4 "[+ * . * -1 ]"
1 52 VAL 17.695 0.571 11 10 [*-*******1+]
1 53 ASN 9.582 0.426 5 0 "[ . 1 ]"
1 54 GLU 0.134 0.041 2 0 "[ . 1 ]"
1 55 ALA 1.176 0.208 10 0 "[ . 1 ]"
1 56 PHE 20.186 0.572 6 4 "[ **+ -1 ]"
1 57 THR 10.395 0.678 5 9 "[****+* -** ]"
1 58 ASP 4.745 0.373 2 0 "[ . 1 ]"
1 59 LYS 9.718 0.678 5 9 "[****+* -** ]"
1 60 VAL 13.661 0.691 1 1 "[+ . 1 ]"
1 61 PRO 0.106 0.078 5 0 "[ . 1 ]"
1 62 ALA 11.169 1.050 6 11 [*-***+*****]
1 63 ALA 15.822 1.050 6 11 [*****+*****]
1 64 ASN 0.474 0.161 8 0 "[ . 1 ]"
1 65 GLU 2.544 0.237 11 0 "[ . 1 ]"
1 66 ARG 3.075 0.320 1 0 "[ . 1 ]"
1 67 GLU 3.199 0.589 11 2 "[ - 1+]"
1 68 ILE 0.715 0.137 1 0 "[ . 1 ]"
1 69 GLY 4.514 0.255 3 0 "[ . 1 ]"
1 70 MET 6.419 0.589 11 2 "[ - 1+]"
1 71 LEU 7.206 0.620 1 4 "[+ * . * -1 ]"
1 72 GLU 2.252 0.255 3 0 "[ . 1 ]"
1 73 CYS 3.220 0.435 2 0 "[ . 1 ]"
1 74 VAL 21.952 1.504 7 11 [******+-***]
1 75 THR 8.669 0.583 4 7 "[ *+* -* **]"
1 76 ALA 10.342 0.583 4 7 "[ *+* -* **]"
1 77 GLU 4.709 0.537 6 2 "[ - .+ 1 ]"
1 78 LEU 15.482 0.683 1 11 [+-*********]
1 79 LYS 9.554 0.683 1 11 [+********-*]
1 80 PRO 1.827 0.235 10 0 "[ . 1 ]"
1 81 ASN 3.979 0.237 7 0 "[ . 1 ]"
1 82 SER 10.558 0.475 3 0 "[ . 1 ]"
1 83 ARG 17.096 1.069 11 4 "[*- .* 1+]"
1 84 LEU 0.189 0.122 7 0 "[ . 1 ]"
1 87 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 88 ILE 6.921 1.069 11 3 "[*- . 1+]"
1 89 ILE 9.485 0.430 10 0 "[ . 1 ]"
1 90 MET 21.218 0.806 7 11 [******+-***]
1 91 THR 10.112 0.329 8 0 "[ . 1 ]"
1 92 PRO 0.144 0.119 10 0 "[ . 1 ]"
1 93 GLU 4.685 0.286 10 0 "[ . 1 ]"
1 94 LEU 19.889 0.464 8 0 "[ . 1 ]"
1 95 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 96 GLY 7.101 0.572 6 3 "[ *+ -1 ]"
1 97 ILE 14.442 0.520 4 1 "[ +. 1 ]"
1 98 VAL 10.785 0.426 5 0 "[ . 1 ]"
1 99 VAL 24.626 0.824 8 11 [*******+-**]
1 100 ASP 17.780 0.613 5 11 [****+*****-]
1 101 VAL 2.952 0.250 9 0 "[ . 1 ]"
1 102 PRO 7.563 0.431 2 0 "[ . 1 ]"
1 103 ASP 5.006 0.457 7 0 "[ . 1 ]"
1 104 ARG 10.934 0.457 7 0 "[ . 1 ]"
1 105 GLN 3.461 0.376 8 0 "[ . 1 ]"
1 106 TRP 16.407 1.504 7 11 [******+-***]
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 SER HA 1 2 LYS H 3.000 . 3.300 2.308 2.197 2.467 . 0 0 "[ . 1 ]" 2
2 1 1 SER HB2 1 2 LYS H 3.000 . 3.300 3.072 2.558 3.327 0.027 1 0 "[ . 1 ]" 2
3 1 1 SER HB3 1 2 LYS H 4.000 . 4.300 3.919 3.273 4.334 0.034 1 0 "[ . 1 ]" 2
4 1 1 SER HB3 1 17 VAL H 5.000 . 5.300 4.727 4.299 5.372 0.072 7 0 "[ . 1 ]" 2
5 1 1 SER HB2 1 90 MET ME 3.000 . 3.300 3.085 2.860 3.299 . 0 0 "[ . 1 ]" 2
6 1 1 SER HA 1 92 PRO HA 3.000 . 3.300 2.802 2.430 3.419 0.119 10 0 "[ . 1 ]" 2
7 1 1 SER QB 1 95 ASP HA 3.000 . 3.300 2.263 2.101 2.363 . 0 0 "[ . 1 ]" 2
8 1 1 SER HB2 1 96 GLY H 4.000 . 4.300 3.865 3.609 4.366 0.066 5 0 "[ . 1 ]" 2
9 1 1 SER HB3 1 96 GLY H 5.000 . 5.300 5.161 4.345 5.543 0.243 5 0 "[ . 1 ]" 2
10 1 2 LYS H 1 3 VAL H 5.000 . 5.300 4.397 4.336 4.457 . 0 0 "[ . 1 ]" 2
11 1 2 LYS HA 1 3 VAL H 3.000 . 3.300 2.197 2.163 2.227 . 0 0 "[ . 1 ]" 2
12 1 2 LYS QB 1 3 VAL H 3.000 . 3.300 3.602 3.541 3.662 0.362 9 0 "[ . 1 ]" 2
13 1 2 LYS QG 1 3 VAL H 4.000 . 4.300 4.336 4.032 4.426 0.126 6 0 "[ . 1 ]" 2
14 1 2 LYS HD2 1 3 VAL H 4.000 . 4.300 4.155 3.399 4.412 0.112 7 0 "[ . 1 ]" 2
15 1 2 LYS HA 1 16 ASP HA 3.000 . 3.300 3.409 3.302 3.494 0.194 10 0 "[ . 1 ]" 2
16 1 2 LYS HA 1 17 VAL H 4.000 . 4.300 4.435 4.344 4.515 0.215 8 0 "[ . 1 ]" 2
17 1 2 LYS QB 1 95 ASP HA 4.000 . 4.300 3.470 3.275 3.824 . 0 0 "[ . 1 ]" 2
18 1 2 LYS QG 1 96 GLY H 4.000 . 4.300 4.218 4.036 4.396 0.096 11 0 "[ . 1 ]" 2
19 1 2 LYS H 1 96 GLY QA 4.000 . 4.300 4.140 3.924 4.350 0.050 7 0 "[ . 1 ]" 2
20 1 2 LYS QB 1 96 GLY HA2 3.000 . 3.300 2.457 2.177 2.712 . 0 0 "[ . 1 ]" 2
21 1 2 LYS HB3 1 96 GLY H 3.000 . 3.300 3.076 2.930 3.240 . 0 0 "[ . 1 ]" 2
22 1 2 LYS HB2 1 96 GLY H 3.000 . 3.300 2.358 2.200 2.573 . 0 0 "[ . 1 ]" 2
23 1 2 LYS H 1 97 ILE H 4.000 . 4.300 4.444 4.325 4.546 0.246 5 0 "[ . 1 ]" 2
24 1 2 LYS HB3 1 97 ILE H 4.000 . 4.300 4.593 4.485 4.714 0.414 8 0 "[ . 1 ]" 2
25 1 2 LYS HB2 1 97 ILE H 5.000 . 5.300 4.387 4.249 4.594 . 0 0 "[ . 1 ]" 2
26 1 3 VAL HA 1 4 VAL H 3.000 . 3.300 2.201 2.173 2.235 . 0 0 "[ . 1 ]" 2
27 1 3 VAL MG1 1 4 VAL H 3.000 . 3.300 3.219 3.147 3.266 . 0 0 "[ . 1 ]" 2
28 1 3 VAL MG2 1 4 VAL H 4.000 . 4.300 4.061 4.000 4.135 . 0 0 "[ . 1 ]" 2
29 1 3 VAL MG1 1 5 TYR QD 3.000 . 3.300 3.139 2.849 3.325 0.025 5 0 "[ . 1 ]" 2
30 1 3 VAL MG1 1 5 TYR HH 3.000 . 3.300 2.868 2.592 3.177 . 0 0 "[ . 1 ]" 2
31 1 3 VAL MG2 1 5 TYR HH 4.000 . 4.300 4.417 4.182 4.518 0.218 10 0 "[ . 1 ]" 2
32 1 3 VAL MG1 1 5 TYR H 4.000 . 4.300 3.746 3.135 4.263 . 0 0 "[ . 1 ]" 2
33 1 3 VAL MG1 1 5 TYR QE 3.000 . 3.300 2.367 2.111 2.562 . 0 0 "[ . 1 ]" 2
34 1 3 VAL MG1 1 14 GLU HA 4.000 . 4.300 4.436 4.299 4.651 0.351 11 0 "[ . 1 ]" 2
35 1 3 VAL H 1 15 LEU H 3.000 . 3.300 2.653 2.501 2.861 . 0 0 "[ . 1 ]" 2
36 1 3 VAL HA 1 15 LEU H 5.000 . 5.300 4.437 4.326 4.515 . 0 0 "[ . 1 ]" 2
37 1 3 VAL HB 1 15 LEU H 5.000 . 5.300 2.993 2.859 3.112 . 0 0 "[ . 1 ]" 2
38 1 3 VAL MG1 1 15 LEU H 4.000 . 4.300 3.619 3.431 3.907 . 0 0 "[ . 1 ]" 2
39 1 3 VAL MG1 1 15 LEU HB3 4.000 . 4.300 4.137 3.290 4.881 0.581 11 1 "[ . 1+]" 2
40 1 3 VAL MG1 1 15 LEU HB2 3.000 . 3.300 3.108 2.716 3.531 0.231 11 0 "[ . 1 ]" 2
41 1 3 VAL MG1 1 15 LEU MD2 5.000 . 5.300 4.510 4.064 4.925 . 0 0 "[ . 1 ]" 2
42 1 3 VAL MG1 1 15 LEU MD1 4.000 . 4.300 3.863 3.144 4.599 0.299 5 0 "[ . 1 ]" 2
43 1 3 VAL H 1 16 ASP HA 3.000 . 3.300 3.648 3.519 3.766 0.466 6 0 "[ . 1 ]" 2
44 1 3 VAL H 1 17 VAL H 5.000 . 5.300 4.012 3.885 4.133 . 0 0 "[ . 1 ]" 2
45 1 3 VAL MG2 1 17 VAL H 4.000 . 4.300 2.780 2.360 3.442 . 0 0 "[ . 1 ]" 2
46 1 3 VAL MG1 1 17 VAL H 5.000 . 5.300 4.954 4.582 5.406 0.106 6 0 "[ . 1 ]" 2
47 1 3 VAL HB 1 17 VAL MG2 4.000 . 4.300 2.292 2.182 2.454 . 0 0 "[ . 1 ]" 2
48 1 3 VAL MG1 1 23 LEU HB3 4.000 . 4.300 3.558 3.053 4.205 . 0 0 "[ . 1 ]" 2
49 1 3 VAL MG1 1 23 LEU HB2 5.000 . 5.300 4.844 4.449 5.206 . 0 0 "[ . 1 ]" 2
50 1 3 VAL MG1 1 23 LEU MD1 4.000 . 4.300 2.840 1.824 3.670 . 0 0 "[ . 1 ]" 2
51 1 3 VAL HB 1 23 LEU MD2 5.000 . 5.300 4.114 3.628 5.345 0.045 2 0 "[ . 1 ]" 2
52 1 3 VAL MG1 1 23 LEU HG 4.000 . 4.300 4.360 4.043 4.625 0.325 6 0 "[ . 1 ]" 2
53 1 3 VAL MG2 1 90 MET QB 4.000 . 4.300 3.146 2.899 3.320 . 0 0 "[ . 1 ]" 2
54 1 3 VAL MG2 1 90 MET ME 4.000 . 4.300 3.250 2.855 3.620 . 0 0 "[ . 1 ]" 2
55 1 3 VAL HA 1 96 GLY H 4.000 . 4.300 4.120 4.062 4.211 . 0 0 "[ . 1 ]" 2
56 1 3 VAL H 1 96 GLY H 5.000 . 5.300 4.737 4.541 4.832 . 0 0 "[ . 1 ]" 2
57 1 3 VAL MG2 1 96 GLY H 4.000 . 4.300 4.264 4.069 4.402 0.102 5 0 "[ . 1 ]" 2
58 1 3 VAL HA 1 97 ILE H 3.000 . 3.300 3.638 3.566 3.797 0.497 5 0 "[ . 1 ]" 2
59 1 3 VAL HA 1 97 ILE MG 4.000 . 4.300 2.077 2.023 2.158 . 0 0 "[ . 1 ]" 2
60 1 3 VAL H 1 97 ILE MG 4.000 . 4.300 4.280 4.132 4.389 0.089 8 0 "[ . 1 ]" 2
61 1 3 VAL MG1 1 97 ILE MG 3.000 . 3.300 2.774 2.534 3.112 . 0 0 "[ . 1 ]" 2
62 1 3 VAL MG2 1 97 ILE H 5.000 . 5.300 3.992 3.799 4.260 . 0 0 "[ . 1 ]" 2
63 1 3 VAL MG1 1 99 VAL H 5.000 . 5.300 4.347 3.957 4.700 . 0 0 "[ . 1 ]" 2
64 1 3 VAL MG1 1 99 VAL MG2 4.000 . 4.300 2.525 2.193 2.771 . 0 0 "[ . 1 ]" 2
65 1 4 VAL HA 1 5 TYR H 3.000 . 3.300 2.131 2.098 2.162 . 0 0 "[ . 1 ]" 2
66 1 4 VAL HA 1 5 TYR QD 5.000 . 5.300 3.878 3.426 4.247 . 0 0 "[ . 1 ]" 2
67 1 4 VAL HA 1 5 TYR QE 5.000 . 5.300 5.135 4.819 5.446 0.146 3 0 "[ . 1 ]" 2
68 1 4 VAL H 1 5 TYR QD 5.000 . 5.300 5.377 4.838 5.593 0.293 2 0 "[ . 1 ]" 2
69 1 4 VAL HB 1 5 TYR H 5.000 . 5.300 4.199 3.994 4.371 . 0 0 "[ . 1 ]" 2
70 1 4 VAL MG1 1 5 TYR H 4.000 . 4.300 2.926 2.490 3.393 . 0 0 "[ . 1 ]" 2
71 1 4 VAL MG2 1 5 TYR H 5.000 . 5.300 4.082 3.968 4.205 . 0 0 "[ . 1 ]" 2
72 1 4 VAL MG1 1 12 ARG QB 3.000 . 3.300 2.166 2.067 2.324 . 0 0 "[ . 1 ]" 2
73 1 4 VAL HA 1 14 GLU HA 3.000 . 3.300 2.267 2.196 2.301 . 0 0 "[ . 1 ]" 2
74 1 4 VAL HA 1 14 GLU H 4.000 . 4.300 4.403 4.336 4.460 0.160 8 0 "[ . 1 ]" 2
75 1 4 VAL HB 1 14 GLU HA 4.000 . 4.300 4.891 4.837 4.972 0.672 7 11 [-*****+****] 2
76 1 4 VAL MG1 1 14 GLU HA 4.000 . 4.300 3.512 3.401 3.644 . 0 0 "[ . 1 ]" 2
77 1 4 VAL MG2 1 14 GLU HA 4.000 . 4.300 2.637 2.526 2.810 . 0 0 "[ . 1 ]" 2
78 1 4 VAL HA 1 15 LEU H 4.000 . 4.300 3.650 3.460 3.772 . 0 0 "[ . 1 ]" 2
79 1 4 VAL MG2 1 15 LEU H 5.000 . 5.300 3.997 3.903 4.215 . 0 0 "[ . 1 ]" 2
80 1 4 VAL H 1 97 ILE H 4.000 . 4.300 4.430 4.340 4.582 0.282 11 0 "[ . 1 ]" 2
81 1 4 VAL H 1 98 VAL HA 3.000 . 3.300 3.135 2.824 3.420 0.120 5 0 "[ . 1 ]" 2
82 1 4 VAL HB 1 98 VAL HA 3.000 . 3.300 2.394 2.319 2.622 . 0 0 "[ . 1 ]" 2
83 1 4 VAL H 1 99 VAL H 4.000 . 4.300 3.926 3.646 4.152 . 0 0 "[ . 1 ]" 2
84 1 5 TYR H 1 6 VAL H 4.500 . 4.800 4.363 4.269 4.463 . 0 0 "[ . 1 ]" 2
85 1 5 TYR HA 1 6 VAL H 3.000 . 3.300 2.201 2.185 2.234 . 0 0 "[ . 1 ]" 2
86 1 5 TYR HA 1 6 VAL MG2 4.000 . 4.300 3.828 3.731 3.921 . 0 0 "[ . 1 ]" 2
87 1 5 TYR HB3 1 6 VAL H 5.000 . 5.300 3.613 3.527 3.662 . 0 0 "[ . 1 ]" 2
88 1 5 TYR HB2 1 6 VAL H 5.000 . 5.300 4.319 4.225 4.398 . 0 0 "[ . 1 ]" 2
89 1 5 TYR QD 1 6 VAL H 5.000 . 5.300 4.420 4.232 4.671 . 0 0 "[ . 1 ]" 2
90 1 5 TYR H 1 13 ARG H 3.000 . 3.300 2.744 2.282 3.215 . 0 0 "[ . 1 ]" 2
91 1 5 TYR H 1 13 ARG HA 5.000 . 5.300 4.710 4.448 4.942 . 0 0 "[ . 1 ]" 2
92 1 5 TYR HB2 1 13 ARG QB 5.000 . 5.300 2.323 2.252 2.610 . 0 0 "[ . 1 ]" 2
93 1 5 TYR QD 1 13 ARG QB 5.000 . 5.300 2.458 2.130 3.228 . 0 0 "[ . 1 ]" 2
94 1 5 TYR QD 1 13 ARG QG 5.000 . 5.300 4.154 3.802 4.351 . 0 0 "[ . 1 ]" 2
95 1 5 TYR QE 1 13 ARG QG 5.000 . 5.300 5.604 5.033 5.935 0.635 9 2 "[ . - +1 ]" 2
96 1 5 TYR QE 1 13 ARG QB 5.000 . 5.300 4.274 3.640 5.091 . 0 0 "[ . 1 ]" 2
97 1 5 TYR H 1 14 GLU HA 4.000 . 4.300 3.663 3.470 3.888 . 0 0 "[ . 1 ]" 2
98 1 5 TYR QD 1 14 GLU HA 5.000 . 5.300 4.327 3.950 4.579 . 0 0 "[ . 1 ]" 2
99 1 5 TYR QD 1 14 GLU H 5.000 . 5.300 5.225 4.992 5.417 0.117 11 0 "[ . 1 ]" 2
100 1 5 TYR QE 1 14 GLU HA 5.000 . 5.300 5.114 4.893 5.340 0.040 1 0 "[ . 1 ]" 2
101 1 5 TYR QD 1 15 LEU H 4.000 . 4.300 4.368 3.834 4.653 0.353 9 0 "[ . 1 ]" 2
102 1 5 TYR QD 1 15 LEU QB 5.000 . 5.300 4.130 3.435 4.962 . 0 0 "[ . 1 ]" 2
103 1 5 TYR QD 1 15 LEU HG 5.000 . 5.300 3.587 2.535 4.568 . 0 0 "[ . 1 ]" 2
104 1 5 TYR QE 1 15 LEU HG 5.000 . 5.300 2.273 2.165 2.408 . 0 0 "[ . 1 ]" 2
105 1 5 TYR QE 1 15 LEU HB3 4.000 . 4.300 3.893 3.367 4.448 0.148 1 0 "[ . 1 ]" 2
106 1 5 TYR QE 1 15 LEU HB2 3.000 . 3.300 2.741 2.259 3.447 0.147 9 0 "[ . 1 ]" 2
107 1 5 TYR QE 1 15 LEU MD1 4.000 . 4.300 2.867 2.056 3.927 . 0 0 "[ . 1 ]" 2
108 1 5 TYR QE 1 15 LEU MD2 4.000 . 4.300 3.181 2.130 3.863 . 0 0 "[ . 1 ]" 2
109 1 5 TYR QD 1 15 LEU MD1 5.000 . 5.300 4.314 3.159 5.539 0.239 8 0 "[ . 1 ]" 2
110 1 5 TYR QD 1 15 LEU MD2 5.000 . 5.300 3.661 3.185 4.153 . 0 0 "[ . 1 ]" 2
111 1 5 TYR QE 1 23 LEU HA 4.000 . 4.300 4.145 3.848 4.317 0.017 10 0 "[ . 1 ]" 2
112 1 5 TYR QE 1 23 LEU QB 5.000 . 5.300 2.532 2.282 3.213 . 0 0 "[ . 1 ]" 2
113 1 5 TYR HH 1 23 LEU QB 5.000 . 5.300 3.150 2.499 4.733 . 0 0 "[ . 1 ]" 2
114 1 5 TYR QE 1 23 LEU MD2 4.000 . 4.300 3.627 2.773 4.639 0.339 2 0 "[ . 1 ]" 2
115 1 5 TYR HH 1 23 LEU MD2 5.000 . 5.300 3.543 2.833 5.480 0.180 2 0 "[ . 1 ]" 2
116 1 5 TYR HH 1 23 LEU MD1 4.000 . 4.300 4.242 2.720 4.721 0.421 1 0 "[ . 1 ]" 2
117 1 5 TYR QE 1 26 ALA MB 5.000 . 5.300 4.153 3.736 4.511 . 0 0 "[ . 1 ]" 2
118 1 5 TYR HH 1 26 ALA MB 3.000 . 3.300 3.101 2.706 3.483 0.183 3 0 "[ . 1 ]" 2
119 1 5 TYR HH 1 27 ALA MB 4.000 . 4.300 3.105 2.708 3.503 . 0 0 "[ . 1 ]" 2
120 1 5 TYR HH 1 27 ALA H 3.000 . 3.300 3.510 3.368 3.607 0.307 7 0 "[ . 1 ]" 2
121 1 5 TYR QE 1 27 ALA H 5.000 . 5.300 4.930 4.657 5.186 . 0 0 "[ . 1 ]" 2
122 1 5 TYR QE 1 27 ALA HA 5.000 . 5.300 4.232 3.973 4.655 . 0 0 "[ . 1 ]" 2
123 1 5 TYR QD 1 27 ALA MB 5.000 . 5.300 4.640 4.200 4.956 . 0 0 "[ . 1 ]" 2
124 1 5 TYR QE 1 27 ALA MB 4.000 . 4.300 3.546 2.853 3.914 . 0 0 "[ . 1 ]" 2
125 1 5 TYR H 1 32 ILE MD 5.000 . 5.300 4.907 4.663 5.158 . 0 0 "[ . 1 ]" 2
126 1 5 TYR H 1 32 ILE MG 5.000 . 5.300 5.579 5.365 5.934 0.634 11 1 "[ . 1+]" 2
127 1 5 TYR HB3 1 32 ILE MG 5.000 . 5.300 3.690 3.403 4.039 . 0 0 "[ . 1 ]" 2
128 1 5 TYR HB2 1 32 ILE MG 5.000 . 5.300 3.706 3.508 4.090 . 0 0 "[ . 1 ]" 2
129 1 5 TYR HB3 1 32 ILE MD 5.000 . 5.300 4.441 4.110 4.707 . 0 0 "[ . 1 ]" 2
130 1 5 TYR HB2 1 32 ILE MD 5.000 2.800 5.300 3.761 3.281 4.146 . 0 0 "[ . 1 ]" 2
131 1 5 TYR QD 1 32 ILE MG 4.000 . 4.300 3.476 3.119 3.845 . 0 0 "[ . 1 ]" 2
132 1 5 TYR QD 1 32 ILE MD 4.000 . 4.300 2.857 2.408 3.590 . 0 0 "[ . 1 ]" 2
133 1 5 TYR QE 1 32 ILE HB 5.000 . 5.300 4.890 4.431 5.378 0.078 11 0 "[ . 1 ]" 2
134 1 5 TYR QE 1 32 ILE MD 5.000 . 5.300 2.778 2.130 3.658 . 0 0 "[ . 1 ]" 2
135 1 5 TYR QD 1 50 VAL MG2 5.000 . 5.300 4.912 4.553 5.232 . 0 0 "[ . 1 ]" 2
136 1 5 TYR HA 1 99 VAL H 4.000 . 4.300 2.981 2.781 3.202 . 0 0 "[ . 1 ]" 2
137 1 5 TYR HA 1 99 VAL MG2 3.000 . 3.300 3.068 2.903 3.210 . 0 0 "[ . 1 ]" 2
138 1 5 TYR HB3 1 99 VAL MG2 5.000 . 5.300 4.686 4.505 4.893 . 0 0 "[ . 1 ]" 2
139 1 5 TYR QD 1 99 VAL MG2 3.000 . 3.300 3.203 2.629 3.583 0.283 11 0 "[ . 1 ]" 2
140 1 5 TYR H 1 99 VAL MG2 4.000 . 4.300 4.443 4.026 4.604 0.304 5 0 "[ . 1 ]" 2
141 1 5 TYR H 1 99 VAL HB 4.000 . 4.300 5.000 4.847 5.124 0.824 8 11 [*****-*+***] 2
142 1 5 TYR QD 1 99 VAL MG1 5.000 . 5.300 3.244 2.923 3.805 . 0 0 "[ . 1 ]" 2
143 1 5 TYR QE 1 99 VAL MG2 5.000 . 5.300 3.233 2.871 3.599 . 0 0 "[ . 1 ]" 2
144 1 5 TYR QE 1 99 VAL MG1 5.000 . 5.300 3.632 2.970 4.139 . 0 0 "[ . 1 ]" 2
145 1 6 VAL HA 1 7 SER H 3.000 . 3.300 2.146 2.132 2.163 . 0 0 "[ . 1 ]" 2
146 1 6 VAL HB 1 7 SER H 4.000 . 4.300 4.349 4.270 4.397 0.097 6 0 "[ . 1 ]" 2
147 1 6 VAL MG1 1 10 GLY HA2 4.000 . 4.300 2.857 2.636 3.051 . 0 0 "[ . 1 ]" 2
148 1 6 VAL MG2 1 10 GLY QA 5.000 . 5.300 4.707 4.475 4.935 . 0 0 "[ . 1 ]" 2
149 1 6 VAL MG1 1 10 GLY H 4.000 . 4.300 3.809 3.655 4.014 . 0 0 "[ . 1 ]" 2
150 1 6 VAL MG2 1 12 ARG HA 5.000 . 5.300 3.416 3.155 3.980 . 0 0 "[ . 1 ]" 2
151 1 6 VAL MG2 1 12 ARG QB 3.000 . 3.300 3.298 2.894 3.532 0.232 8 0 "[ . 1 ]" 2
152 1 6 VAL MG1 1 12 ARG QG 4.000 . 4.300 3.159 2.651 3.564 . 0 0 "[ . 1 ]" 2
153 1 6 VAL H 1 99 VAL H 4.000 . 4.300 3.302 3.140 3.448 . 0 0 "[ . 1 ]" 2
154 1 6 VAL MG2 1 99 VAL H 3.000 . 3.300 3.376 3.232 3.432 0.132 1 0 "[ . 1 ]" 2
155 1 6 VAL H 1 99 VAL MG2 4.000 . 4.300 4.231 4.092 4.342 0.042 2 0 "[ . 1 ]" 2
156 1 6 VAL H 1 100 ASP HA 3.000 . 3.300 3.128 2.947 3.297 . 0 0 "[ . 1 ]" 2
157 1 6 VAL HB 1 100 ASP HA 3.000 . 3.300 2.306 2.256 2.348 . 0 0 "[ . 1 ]" 2
158 1 6 VAL MG2 1 100 ASP HA 4.000 . 4.300 3.897 3.799 3.997 . 0 0 "[ . 1 ]" 2
159 1 6 VAL MG1 1 100 ASP HA 5.000 . 5.300 3.383 3.258 3.546 . 0 0 "[ . 1 ]" 2
160 1 6 VAL H 1 101 VAL H 4.000 . 4.300 3.827 3.605 4.082 . 0 0 "[ . 1 ]" 2
161 1 6 VAL HB 1 101 VAL H 4.000 . 4.300 3.741 3.622 3.873 . 0 0 "[ . 1 ]" 2
162 1 6 VAL HB 1 101 VAL MG2 5.000 . 5.300 4.629 4.392 4.818 . 0 0 "[ . 1 ]" 2
163 1 6 VAL MG1 1 101 VAL H 5.000 . 5.300 3.986 3.856 4.165 . 0 0 "[ . 1 ]" 2
164 1 6 VAL MG2 1 101 VAL H 5.000 . 5.300 5.073 4.956 5.206 . 0 0 "[ . 1 ]" 2
165 1 7 SER H 1 8 HIS H 4.000 . 4.300 4.381 4.308 4.418 0.118 9 0 "[ . 1 ]" 2
166 1 7 SER HA 1 8 HIS HD1 3.000 . 3.300 2.973 2.879 3.048 . 0 0 "[ . 1 ]" 2
167 1 7 SER QB 1 8 HIS HD1 4.000 . 4.300 2.667 2.568 2.799 . 0 0 "[ . 1 ]" 2
168 1 7 SER QB 1 8 HIS HD2 5.000 . 5.300 5.046 4.913 5.326 0.026 5 0 "[ . 1 ]" 2
169 1 7 SER H 1 8 HIS HD1 5.000 . 5.300 5.373 5.334 5.417 0.117 9 0 "[ . 1 ]" 2
170 1 7 SER QB 1 9 ASP H 4.000 . 4.300 3.322 3.093 3.758 . 0 0 "[ . 1 ]" 2
171 1 7 SER H 1 11 THR H 4.000 . 4.300 3.899 3.705 4.018 . 0 0 "[ . 1 ]" 2
172 1 7 SER H 1 11 THR HB 5.000 . 5.300 4.666 4.401 5.413 0.113 1 0 "[ . 1 ]" 2
173 1 7 SER HB2 1 11 THR MG 3.000 . 3.300 3.352 3.257 3.414 0.114 4 0 "[ . 1 ]" 2
174 1 7 SER H 1 12 ARG H 5.000 . 5.300 4.966 4.773 5.241 . 0 0 "[ . 1 ]" 2
175 1 7 SER H 1 12 ARG HA 4.000 . 4.300 3.382 3.174 3.662 . 0 0 "[ . 1 ]" 2
176 1 7 SER QB 1 13 ARG QH2 5.000 . 5.300 5.426 2.305 6.932 1.632 4 7 "[ **+* - **]" 2
177 1 7 SER H 1 100 ASP HA 5.000 . 5.300 5.390 5.277 5.517 0.217 5 0 "[ . 1 ]" 2
178 1 7 SER HA 1 101 VAL H 3.000 . 3.300 3.302 3.129 3.380 0.080 7 0 "[ . 1 ]" 2
179 1 7 SER HA 1 101 VAL HB 3.000 . 3.300 2.526 2.400 2.736 . 0 0 "[ . 1 ]" 2
180 1 7 SER HA 1 101 VAL MG2 5.000 . 5.300 3.564 3.324 3.758 . 0 0 "[ . 1 ]" 2
181 1 8 HIS HA 1 9 ASP H 4.000 . 4.300 3.580 3.565 3.599 . 0 0 "[ . 1 ]" 2
182 1 8 HIS QB 1 9 ASP H 5.000 . 5.300 2.993 2.922 3.096 . 0 0 "[ . 1 ]" 2
183 1 8 HIS HD1 1 9 ASP H 4.000 . 4.300 3.830 3.714 3.959 . 0 0 "[ . 1 ]" 2
184 1 8 HIS HB3 1 9 ASP HA 5.000 . 5.300 5.500 5.459 5.541 0.241 9 0 "[ . 1 ]" 2
185 1 8 HIS HA 1 10 GLY H 5.000 . 5.300 3.560 3.478 3.677 . 0 0 "[ . 1 ]" 2
186 1 8 HIS HD1 1 101 VAL MG1 5.000 . 5.300 4.067 3.756 4.350 . 0 0 "[ . 1 ]" 2
187 1 8 HIS HD1 1 101 VAL HB 5.000 . 5.300 3.820 3.467 4.135 . 0 0 "[ . 1 ]" 2
188 1 8 HIS HB2 1 102 PRO HA 5.000 . 5.300 5.079 4.780 5.326 0.026 1 0 "[ . 1 ]" 2
189 1 8 HIS HD2 1 103 ASP QB 5.000 . 5.300 3.795 3.104 4.558 . 0 0 "[ . 1 ]" 2
190 1 8 HIS QB 1 103 ASP H 5.000 . 5.300 3.495 3.354 3.659 . 0 0 "[ . 1 ]" 2
191 1 9 ASP H 1 10 GLY H 4.000 . 4.300 2.826 2.750 2.866 . 0 0 "[ . 1 ]" 2
192 1 9 ASP HA 1 10 GLY H 3.000 . 3.300 3.316 3.274 3.350 0.050 4 0 "[ . 1 ]" 2
193 1 9 ASP HB3 1 10 GLY H 5.000 . 5.300 4.517 4.471 4.583 . 0 0 "[ . 1 ]" 2
194 1 10 GLY H 1 11 THR H 3.000 . 3.300 2.455 2.411 2.508 . 0 0 "[ . 1 ]" 2
195 1 10 GLY HA3 1 11 THR H 4.000 . 4.300 3.306 3.264 3.352 . 0 0 "[ . 1 ]" 2
196 1 10 GLY HA2 1 11 THR H 4.000 . 4.300 3.329 3.304 3.366 . 0 0 "[ . 1 ]" 2
197 1 11 THR H 1 12 ARG H 4.000 . 4.300 4.567 4.542 4.629 0.329 1 0 "[ . 1 ]" 2
198 1 11 THR HA 1 12 ARG H 3.000 . 3.300 2.178 2.152 2.240 . 0 0 "[ . 1 ]" 2
199 1 11 THR HB 1 12 ARG H 4.000 2.800 4.300 4.470 4.303 4.522 0.222 9 0 "[ . 1 ]" 2
200 1 11 THR MG 1 12 ARG H 3.000 . 3.300 3.189 3.086 3.542 0.242 5 0 "[ . 1 ]" 2
201 1 11 THR MG 1 13 ARG HA 6.000 3.800 6.300 5.041 4.758 5.443 . 0 0 "[ . 1 ]" 2
202 1 12 ARG HA 1 13 ARG H 3.000 . 3.300 2.339 2.256 2.394 . 0 0 "[ . 1 ]" 2
203 1 12 ARG H 1 13 ARG H 5.000 . 5.300 4.566 4.537 4.599 . 0 0 "[ . 1 ]" 2
204 1 12 ARG QB 1 13 ARG H 5.000 . 5.300 2.573 2.419 2.878 . 0 0 "[ . 1 ]" 2
205 1 12 ARG QG 1 13 ARG H 5.000 . 5.300 4.173 4.010 4.340 . 0 0 "[ . 1 ]" 2
206 1 13 ARG HA 1 14 GLU H 3.000 . 3.300 2.209 2.170 2.243 . 0 0 "[ . 1 ]" 2
207 1 13 ARG HA 1 14 GLU QG 5.000 . 5.300 3.555 3.449 4.130 . 0 0 "[ . 1 ]" 2
208 1 13 ARG H 1 14 GLU HA 4.000 . 4.300 4.417 4.361 4.553 0.253 7 0 "[ . 1 ]" 2
209 1 13 ARG QB 1 14 GLU HA 4.000 . 4.300 4.404 4.309 4.549 0.249 11 0 "[ . 1 ]" 2
210 1 13 ARG QB 1 14 GLU H 3.000 . 3.300 3.629 3.484 3.835 0.535 3 3 "[ + - 1*]" 2
211 1 13 ARG QG 1 14 GLU H 5.000 . 5.300 3.811 2.963 4.904 . 0 0 "[ . 1 ]" 2
212 1 13 ARG QB 1 32 ILE MD 5.000 . 5.300 2.886 2.168 3.593 . 0 0 "[ . 1 ]" 2
213 1 13 ARG HD3 1 32 ILE MD 5.000 . 5.300 3.125 2.149 4.976 . 0 0 "[ . 1 ]" 2
214 1 13 ARG HD2 1 32 ILE MD 5.000 . 5.300 3.365 2.238 4.990 . 0 0 "[ . 1 ]" 2
215 1 13 ARG QG 1 32 ILE MD 4.000 . 4.300 3.552 2.312 4.242 . 0 0 "[ . 1 ]" 2
216 1 13 ARG HE 1 32 ILE MD 5.000 . 5.300 4.006 2.432 5.077 . 0 0 "[ . 1 ]" 2
217 1 13 ARG QH1 1 32 ILE MG 4.000 . 4.300 3.082 1.855 4.335 0.035 1 0 "[ . 1 ]" 2
218 1 13 ARG QH2 1 32 ILE MD 8.000 . 8.300 4.682 3.831 5.512 . 0 0 "[ . 1 ]" 2
219 1 14 GLU HA 1 15 LEU QB 5.000 . 5.300 4.239 3.786 4.630 . 0 0 "[ . 1 ]" 2
220 1 14 GLU H 1 15 LEU H 5.000 . 5.300 4.472 4.412 4.531 . 0 0 "[ . 1 ]" 2
221 1 14 GLU HA 1 15 LEU H 3.000 . 3.300 2.153 2.054 2.233 . 0 0 "[ . 1 ]" 2
222 1 14 GLU HA 1 15 LEU HG 5.000 . 5.300 4.859 3.794 6.094 0.794 3 5 "[ *+ -* * 1 ]" 2
223 1 14 GLU QB 1 15 LEU H 5.000 . 5.300 3.256 3.199 3.358 . 0 0 "[ . 1 ]" 2
224 1 14 GLU QG 1 15 LEU H 5.000 . 5.300 4.479 4.376 4.826 . 0 0 "[ . 1 ]" 2
225 1 15 LEU H 1 16 ASP H 5.000 . 5.300 4.326 4.282 4.386 . 0 0 "[ . 1 ]" 2
226 1 15 LEU HA 1 16 ASP H 3.000 . 3.300 2.588 2.483 2.663 . 0 0 "[ . 1 ]" 2
227 1 15 LEU HB3 1 16 ASP H 4.000 . 4.300 2.011 1.731 2.359 0.069 7 0 "[ . 1 ]" 2
228 1 15 LEU HB2 1 16 ASP H 4.000 . 4.300 3.118 2.616 3.694 . 0 0 "[ . 1 ]" 2
229 1 15 LEU MD2 1 16 ASP H 5.000 2.800 5.300 3.485 3.391 3.563 . 0 0 "[ . 1 ]" 2
230 1 15 LEU MD1 1 16 ASP H 5.000 . 5.300 2.800 1.652 3.737 0.148 6 0 "[ . 1 ]" 2
231 1 15 LEU HG 1 16 ASP H 5.000 . 5.300 4.104 3.658 4.455 . 0 0 "[ . 1 ]" 2
232 1 15 LEU HG 1 17 VAL H 5.000 . 5.300 6.257 5.976 6.501 1.201 7 11 [*-****+****] 2
233 1 15 LEU MD1 1 17 VAL MG2 6.000 . 6.300 2.717 2.408 2.899 . 0 0 "[ . 1 ]" 2
234 1 15 LEU HG 1 26 ALA MB 5.000 . 5.300 3.997 3.056 5.162 . 0 0 "[ . 1 ]" 2
235 1 15 LEU MD1 1 26 ALA MB 5.000 . 5.300 2.312 2.082 2.816 . 0 0 "[ . 1 ]" 2
236 1 15 LEU MD1 1 27 ALA HA 4.000 . 4.300 3.445 2.656 4.309 0.009 3 0 "[ . 1 ]" 2
237 1 15 LEU MD2 1 27 ALA HA 5.000 . 5.300 4.372 3.753 4.950 . 0 0 "[ . 1 ]" 2
238 1 15 LEU MD1 1 28 VAL H 5.000 . 5.300 5.296 4.977 5.640 0.340 3 0 "[ . 1 ]" 2
239 1 15 LEU MD1 1 30 ASN HD22 4.000 . 4.300 2.680 1.766 3.490 0.034 6 0 "[ . 1 ]" 2
240 1 15 LEU MD1 1 30 ASN HD21 4.000 . 4.300 2.577 2.202 3.014 . 0 0 "[ . 1 ]" 2
241 1 15 LEU MD1 1 30 ASN H 4.000 . 4.300 3.792 3.561 4.216 . 0 0 "[ . 1 ]" 2
242 1 15 LEU MD2 1 30 ASN H 4.000 . 4.300 4.550 4.370 4.803 0.503 10 1 "[ . + ]" 2
243 1 15 LEU MD1 1 30 ASN HB3 4.000 . 4.300 3.657 3.338 4.081 . 0 0 "[ . 1 ]" 2
244 1 15 LEU MD1 1 30 ASN HB2 5.000 . 5.300 2.779 2.267 4.185 . 0 0 "[ . 1 ]" 2
245 1 15 LEU MD2 1 30 ASN HB3 4.000 . 4.300 2.730 2.484 2.979 . 0 0 "[ . 1 ]" 2
246 1 15 LEU MD2 1 30 ASN HB2 5.000 . 5.300 2.666 2.305 3.005 . 0 0 "[ . 1 ]" 2
247 1 15 LEU MD2 1 30 ASN HD21 4.000 . 4.300 3.509 3.098 3.903 . 0 0 "[ . 1 ]" 2
248 1 15 LEU HA 1 32 ILE MD 5.000 . 5.300 5.080 4.719 5.474 0.174 9 0 "[ . 1 ]" 2
249 1 15 LEU HG 1 32 ILE MD 4.000 . 4.300 3.047 2.285 3.456 . 0 0 "[ . 1 ]" 2
250 1 15 LEU MD1 1 32 ILE MD 3.000 . 3.300 2.658 1.869 3.642 0.342 6 0 "[ . 1 ]" 2
251 1 15 LEU MD2 1 32 ILE MD 3.000 . 3.300 2.133 1.956 2.453 . 0 0 "[ . 1 ]" 2
252 1 15 LEU HB2 1 32 ILE MD 5.000 . 5.300 4.380 3.492 4.899 . 0 0 "[ . 1 ]" 2
253 1 16 ASP H 1 17 VAL H 5.000 . 5.300 3.792 3.742 3.857 . 0 0 "[ . 1 ]" 2
254 1 16 ASP HA 1 17 VAL H 3.000 . 3.300 2.250 2.237 2.273 . 0 0 "[ . 1 ]" 2
255 1 16 ASP HB3 1 17 VAL H 5.000 . 5.300 4.332 3.972 4.428 . 0 0 "[ . 1 ]" 2
256 1 16 ASP HB2 1 17 VAL H 5.000 . 5.300 4.608 4.565 4.632 . 0 0 "[ . 1 ]" 2
257 1 17 VAL H 1 18 ALA H 5.000 . 5.300 4.332 4.258 4.396 . 0 0 "[ . 1 ]" 2
258 1 17 VAL HA 1 18 ALA H 3.000 . 3.300 2.165 2.149 2.178 . 0 0 "[ . 1 ]" 2
259 1 17 VAL HB 1 18 ALA H 4.000 . 4.300 4.282 4.241 4.322 0.022 4 0 "[ . 1 ]" 2
260 1 17 VAL HA 1 18 ALA MB 5.000 . 5.300 4.027 4.006 4.043 . 0 0 "[ . 1 ]" 2
261 1 17 VAL MG1 1 18 ALA H 3.000 . 3.300 3.050 2.871 3.144 . 0 0 "[ . 1 ]" 2
262 1 17 VAL MG2 1 18 ALA H 5.000 . 5.300 4.216 4.128 4.288 . 0 0 "[ . 1 ]" 2
263 1 17 VAL HA 1 21 VAL QG 3.000 . 3.300 3.219 3.141 3.358 0.058 9 0 "[ . 1 ]" 2
264 1 17 VAL HB 1 21 VAL QG 4.000 . 4.300 4.299 4.210 4.364 0.064 3 0 "[ . 1 ]" 2
265 1 17 VAL MG1 1 21 VAL H 4.000 . 4.300 3.659 3.545 3.801 . 0 0 "[ . 1 ]" 2
266 1 17 VAL MG1 1 21 VAL HB 4.000 . 4.300 1.965 1.932 1.990 . 0 0 "[ . 1 ]" 2
267 1 17 VAL HA 1 23 LEU MD2 5.000 . 5.500 5.477 4.935 5.801 0.301 3 0 "[ . 1 ]" 2
268 1 17 VAL HB 1 23 LEU HA 5.000 . 5.500 4.812 4.422 5.052 . 0 0 "[ . 1 ]" 2
269 1 17 VAL MG2 1 23 LEU HA 4.000 . 4.300 2.997 2.650 3.327 . 0 0 "[ . 1 ]" 2
270 1 17 VAL MG1 1 26 ALA H 3.000 . 3.300 3.184 3.006 3.353 0.053 1 0 "[ . 1 ]" 2
271 1 17 VAL MG2 1 26 ALA MB 4.000 . 4.300 1.942 1.870 2.014 . 0 0 "[ . 1 ]" 2
272 1 17 VAL MG2 1 26 ALA HA 5.000 . 5.300 4.289 3.881 4.506 . 0 0 "[ . 1 ]" 2
273 1 17 VAL MG1 1 26 ALA MB 4.000 . 4.300 2.185 1.938 2.385 . 0 0 "[ . 1 ]" 2
274 1 17 VAL H 1 26 ALA MB 5.000 . 5.300 4.563 4.431 4.655 . 0 0 "[ . 1 ]" 2
275 1 17 VAL HB 1 90 MET HA 4.000 . 4.300 4.979 4.813 5.106 0.806 7 11 [******+-***] 2
276 1 17 VAL HB 1 90 MET QB 3.000 . 3.300 2.316 2.204 2.436 . 0 0 "[ . 1 ]" 2
277 1 17 VAL HB 1 90 MET QG 4.000 . 4.300 2.341 2.218 2.758 . 0 0 "[ . 1 ]" 2
278 1 17 VAL H 1 90 MET ME 6.000 . 6.300 5.968 5.757 6.118 . 0 0 "[ . 1 ]" 2
279 1 17 VAL MG1 1 90 MET QB 6.000 . 6.300 2.107 1.954 2.265 . 0 0 "[ . 1 ]" 2
280 1 17 VAL MG2 1 90 MET QG 5.000 . 5.300 3.237 2.960 3.452 . 0 0 "[ . 1 ]" 2
281 1 18 ALA H 1 19 ASP H 5.000 . 5.300 4.582 4.545 4.608 . 0 0 "[ . 1 ]" 2
282 1 18 ALA HA 1 19 ASP H 3.000 . 3.300 2.523 2.461 2.573 . 0 0 "[ . 1 ]" 2
283 1 18 ALA MB 1 19 ASP H 3.000 . 3.300 2.149 2.061 2.238 . 0 0 "[ . 1 ]" 2
284 1 18 ALA MB 1 19 ASP HB2 5.000 . 5.300 5.003 4.944 5.099 . 0 0 "[ . 1 ]" 2
285 1 18 ALA H 1 21 VAL HB 5.000 . 5.300 3.296 3.130 3.580 . 0 0 "[ . 1 ]" 2
286 1 18 ALA H 1 21 VAL QG 3.000 . 3.300 2.525 2.453 2.648 . 0 0 "[ . 1 ]" 2
287 1 18 ALA MB 1 21 VAL QG 4.000 . 4.300 2.218 2.090 2.339 . 0 0 "[ . 1 ]" 2
288 1 18 ALA MB 1 21 VAL H 4.000 . 4.300 3.899 3.775 3.997 . 0 0 "[ . 1 ]" 2
289 1 18 ALA H 1 26 ALA MB 5.000 . 5.300 4.240 3.916 4.775 . 0 0 "[ . 1 ]" 2
290 1 18 ALA H 1 90 MET QG 6.000 . 6.300 5.886 5.636 6.375 0.075 3 0 "[ . 1 ]" 2
291 1 19 ASP H 1 20 GLY H 4.000 . 4.300 4.558 4.532 4.580 0.280 10 0 "[ . 1 ]" 2
292 1 19 ASP HA 1 20 GLY H 3.000 . 3.300 2.137 2.107 2.157 . 0 0 "[ . 1 ]" 2
293 1 19 ASP QB 1 20 GLY H 4.000 . 4.300 3.023 2.905 3.129 . 0 0 "[ . 1 ]" 2
294 1 19 ASP HA 1 21 VAL H 4.000 . 4.300 3.482 3.386 3.569 . 0 0 "[ . 1 ]" 2
295 1 19 ASP HA 1 89 ILE MG 3.000 . 3.300 3.577 3.500 3.672 0.372 5 0 "[ . 1 ]" 2
296 1 19 ASP HA 1 90 MET QB 5.000 . 5.300 4.220 3.774 4.498 . 0 0 "[ . 1 ]" 2
297 1 19 ASP HA 1 91 THR MG 5.000 . 5.300 2.942 2.592 4.388 . 0 0 "[ . 1 ]" 2
298 1 19 ASP HA 1 91 THR H 5.000 . 5.300 4.733 4.627 4.999 . 0 0 "[ . 1 ]" 2
299 1 19 ASP HB3 1 91 THR HA 5.000 . 5.300 3.096 2.833 3.602 . 0 0 "[ . 1 ]" 2
300 1 19 ASP HB2 1 91 THR HA 5.000 . 5.300 4.023 3.655 4.208 . 0 0 "[ . 1 ]" 2
301 1 19 ASP H 1 92 PRO HG3 5.000 . 5.300 4.669 4.137 5.325 0.025 10 0 "[ . 1 ]" 2
302 1 19 ASP QB 1 92 PRO HD3 5.000 . 5.300 2.612 2.281 2.872 . 0 0 "[ . 1 ]" 2
303 1 20 GLY HA3 1 21 VAL HA 4.000 . 4.300 4.413 4.405 4.424 0.124 9 0 "[ . 1 ]" 2
304 1 20 GLY HA3 1 21 VAL H 4.000 . 4.300 3.171 3.154 3.216 . 0 0 "[ . 1 ]" 2
305 1 20 GLY HA2 1 21 VAL H 4.000 . 4.300 3.488 3.469 3.501 . 0 0 "[ . 1 ]" 2
306 1 20 GLY H 1 89 ILE MG . . 3.300 2.091 1.927 2.227 . 0 0 "[ . 1 ]" 2
307 1 20 GLY H 1 21 VAL H 3.000 . 3.300 2.826 2.790 2.881 . 0 0 "[ . 1 ]" 2
308 1 20 GLY HA2 1 89 ILE MG 4.000 . 4.300 2.084 2.050 2.180 . 0 0 "[ . 1 ]" 2
309 1 20 GLY H 1 90 MET H 5.000 . 5.300 4.023 3.800 4.238 . 0 0 "[ . 1 ]" 2
310 1 20 GLY H 1 90 MET QB 5.000 . 5.300 4.698 4.464 4.950 . 0 0 "[ . 1 ]" 2
311 1 20 GLY H 1 91 THR HB 5.000 3.000 5.300 5.434 5.280 5.526 0.226 9 0 "[ . 1 ]" 2
312 1 20 GLY H 1 91 THR MG 6.000 3.000 6.300 3.148 2.850 4.210 0.150 6 0 "[ . 1 ]" 2
313 1 21 VAL HA 1 22 SER H 3.000 . 3.300 2.245 2.227 2.263 . 0 0 "[ . 1 ]" 2
314 1 21 VAL HB 1 22 SER H 4.000 . 4.300 4.024 3.968 4.126 . 0 0 "[ . 1 ]" 2
315 1 21 VAL QG 1 22 SER H 3.000 . 3.300 2.453 2.321 2.625 . 0 0 "[ . 1 ]" 2
316 1 21 VAL HA 1 25 GLN QG 5.000 . 5.300 3.896 3.512 4.668 . 0 0 "[ . 1 ]" 2
317 1 21 VAL QG 1 25 GLN QB 5.000 . 5.300 1.931 1.892 2.033 . 0 0 "[ . 1 ]" 2
318 1 21 VAL HB 1 26 ALA MB 5.000 . 5.300 4.037 3.869 4.264 . 0 0 "[ . 1 ]" 2
319 1 21 VAL QG 1 26 ALA MB 3.000 . 3.300 2.426 2.172 2.795 . 0 0 "[ . 1 ]" 2
320 1 21 VAL QG 1 26 ALA H 4.000 . 4.300 2.349 2.204 2.502 . 0 0 "[ . 1 ]" 2
321 1 21 VAL HB 1 26 ALA H 4.000 . 4.300 4.750 4.617 4.851 0.551 9 3 "[ - *. +1 ]" 2
322 1 21 VAL H 1 89 ILE MG 5.000 . 5.300 3.398 3.262 3.623 . 0 0 "[ . 1 ]" 2
323 1 21 VAL H 1 90 MET H 3.000 . 3.300 3.884 3.799 4.002 0.702 3 10 "[**+*** *-**]" 2
324 1 21 VAL H 1 90 MET QB 5.000 . 5.300 4.276 4.107 4.417 . 0 0 "[ . 1 ]" 2
325 1 22 SER HA 1 23 LEU H 4.000 . 4.300 2.261 2.213 2.310 . 0 0 "[ . 1 ]" 2
326 1 22 SER HA 1 23 LEU MD2 5.000 . 5.300 3.990 3.006 5.214 . 0 0 "[ . 1 ]" 2
327 1 22 SER QB 1 23 LEU H 4.000 . 4.300 2.988 2.880 3.143 . 0 0 "[ . 1 ]" 2
328 1 22 SER H 1 25 GLN QB 5.000 . 5.300 2.291 2.176 2.421 . 0 0 "[ . 1 ]" 2
329 1 22 SER H 1 26 ALA H 4.000 . 4.300 4.267 4.004 4.415 0.115 9 0 "[ . 1 ]" 2
330 1 22 SER HA 1 26 ALA H 5.000 . 5.300 5.385 5.305 5.458 0.158 5 0 "[ . 1 ]" 2
331 1 22 SER HA 1 88 ILE H 5.000 . 5.300 4.214 3.875 4.433 . 0 0 "[ . 1 ]" 2
332 1 22 SER HA 1 89 ILE HA 3.000 . 3.300 2.511 2.339 2.710 . 0 0 "[ . 1 ]" 2
333 1 22 SER HA 1 89 ILE H 4.000 . 4.300 4.637 4.563 4.730 0.430 10 0 "[ . 1 ]" 2
334 1 22 SER H 1 89 ILE MD 4.000 . 4.300 3.904 3.515 4.419 0.119 1 0 "[ . 1 ]" 2
335 1 22 SER HA 1 89 ILE MD 4.000 . 4.300 3.084 2.757 3.425 . 0 0 "[ . 1 ]" 2
336 1 22 SER HA 1 89 ILE MG 5.000 . 5.300 4.401 4.143 4.691 . 0 0 "[ . 1 ]" 2
337 1 22 SER HB2 1 89 ILE MD 5.000 . 5.300 3.495 3.118 3.847 . 0 0 "[ . 1 ]" 2
338 1 22 SER HA 1 90 MET H 4.000 . 4.300 3.275 3.102 3.764 . 0 0 "[ . 1 ]" 2
339 1 22 SER HA 1 90 MET QB 5.000 . 5.300 4.234 3.850 4.875 . 0 0 "[ . 1 ]" 2
340 1 23 LEU QB 1 24 MET HB3 4.000 . 4.300 4.534 4.258 4.633 0.333 8 0 "[ . 1 ]" 2
341 1 23 LEU HA 1 25 GLN H 4.000 . 4.300 4.079 3.636 4.351 0.051 7 0 "[ . 1 ]" 2
342 1 23 LEU HA 1 26 ALA MB 4.000 . 4.300 3.190 2.781 3.464 . 0 0 "[ . 1 ]" 2
343 1 23 LEU H 1 89 ILE HA 4.000 . 4.300 4.149 3.770 4.329 0.029 11 0 "[ . 1 ]" 2
344 1 23 LEU H 1 90 MET H 4.000 . 4.300 4.306 4.073 4.467 0.167 2 0 "[ . 1 ]" 2
345 1 25 GLN HA 1 26 ALA H 4.000 . 4.300 3.634 3.615 3.647 . 0 0 "[ . 1 ]" 2
346 1 25 GLN QB 1 26 ALA H 4.000 . 4.300 2.321 2.034 2.425 . 0 0 "[ . 1 ]" 2
347 1 25 GLN HA 1 28 VAL H 4.000 . 4.300 3.724 3.598 3.788 . 0 0 "[ . 1 ]" 2
348 1 26 ALA H 1 27 ALA H 3.000 . 3.300 2.798 2.745 2.955 . 0 0 "[ . 1 ]" 2
349 1 26 ALA HA 1 27 ALA H 4.000 . 4.300 3.523 3.489 3.574 . 0 0 "[ . 1 ]" 2
350 1 26 ALA MB 1 27 ALA H 4.000 . 4.300 2.844 2.722 2.952 . 0 0 "[ . 1 ]" 2
351 1 26 ALA HA 1 28 VAL H 5.000 . 5.300 3.618 3.511 3.738 . 0 0 "[ . 1 ]" 2
352 1 26 ALA HA 1 29 SER H 4.000 . 4.300 2.972 2.885 3.046 . 0 0 "[ . 1 ]" 2
353 1 26 ALA HA 1 29 SER QB 4.000 . 4.300 2.324 2.289 2.390 . 0 0 "[ . 1 ]" 2
354 1 26 ALA HA 1 30 ASN H 4.000 . 4.300 4.489 4.413 4.598 0.298 6 0 "[ . 1 ]" 2
355 1 26 ALA HA 1 30 ASN QD 4.000 . 4.300 4.103 3.851 4.343 0.043 3 0 "[ . 1 ]" 2
356 1 26 ALA MB 1 30 ASN QD 4.000 . 4.300 3.475 3.032 3.826 . 0 0 "[ . 1 ]" 2
357 1 27 ALA H 1 28 VAL H 3.000 . 3.300 2.593 2.536 2.659 . 0 0 "[ . 1 ]" 2
358 1 27 ALA HA 1 28 VAL H 5.000 . 5.300 3.443 3.416 3.467 . 0 0 "[ . 1 ]" 2
359 1 27 ALA MB 1 28 VAL H 4.000 . 4.300 2.920 2.867 2.971 . 0 0 "[ . 1 ]" 2
360 1 27 ALA HA 1 29 SER H 5.000 . 5.300 4.099 3.956 4.238 . 0 0 "[ . 1 ]" 2
361 1 27 ALA HA 1 30 ASN H 5.000 . 5.300 3.612 3.445 3.804 . 0 0 "[ . 1 ]" 2
362 1 27 ALA HA 1 30 ASN HB3 5.000 . 5.300 4.974 4.666 5.323 0.023 6 0 "[ . 1 ]" 2
363 1 27 ALA HA 1 30 ASN HB2 5.000 . 5.300 3.438 3.118 3.991 . 0 0 "[ . 1 ]" 2
364 1 27 ALA HA 1 30 ASN QD 5.000 . 5.300 4.549 4.122 4.986 . 0 0 "[ . 1 ]" 2
365 1 27 ALA HA 1 31 GLY H 5.000 . 5.300 4.477 4.227 5.050 . 0 0 "[ . 1 ]" 2
366 1 27 ALA HA 1 32 ILE H 4.000 . 4.300 3.653 3.324 4.429 0.129 11 0 "[ . 1 ]" 2
367 1 27 ALA HA 1 32 ILE HB 4.000 . 4.300 2.529 2.406 2.994 . 0 0 "[ . 1 ]" 2
368 1 27 ALA HA 1 32 ILE MG 5.000 . 5.300 3.790 3.674 3.870 . 0 0 "[ . 1 ]" 2
369 1 27 ALA H 1 32 ILE MG 5.000 . 5.300 5.604 5.402 5.744 0.444 10 0 "[ . 1 ]" 2
370 1 27 ALA HA 1 32 ILE MD 3.000 . 3.300 2.413 2.107 2.936 . 0 0 "[ . 1 ]" 2
371 1 27 ALA MB 1 32 ILE H 5.000 . 5.300 3.236 2.936 4.060 . 0 0 "[ . 1 ]" 2
372 1 27 ALA MB 1 32 ILE HA 5.000 . 5.300 4.571 4.414 4.904 . 0 0 "[ . 1 ]" 2
373 1 27 ALA MB 1 32 ILE MG 4.000 . 4.300 2.912 2.576 3.201 . 0 0 "[ . 1 ]" 2
374 1 27 ALA MB 1 32 ILE MD 4.000 . 4.300 3.066 2.556 3.500 . 0 0 "[ . 1 ]" 2
375 1 28 VAL H 1 29 SER H 3.000 . 3.300 2.317 2.269 2.364 . 0 0 "[ . 1 ]" 2
376 1 28 VAL HB 1 29 SER H 4.000 . 4.300 2.997 2.911 3.102 . 0 0 "[ . 1 ]" 2
377 1 28 VAL MG1 1 29 SER H 4.000 . 4.300 3.725 3.592 3.839 . 0 0 "[ . 1 ]" 2
378 1 28 VAL MG2 1 29 SER H 5.000 . 5.300 3.963 3.915 4.006 . 0 0 "[ . 1 ]" 2
379 1 28 VAL H 1 30 ASN H 5.000 . 5.300 3.933 3.804 4.046 . 0 0 "[ . 1 ]" 2
380 1 28 VAL H 1 30 ASN QD 5.000 . 5.300 5.365 5.217 5.453 0.153 3 0 "[ . 1 ]" 2
381 1 28 VAL HA 1 32 ILE HB 5.000 . 5.300 5.114 4.383 5.439 0.139 10 0 "[ . 1 ]" 2
382 1 28 VAL HA 1 32 ILE H 5.000 . 5.300 3.280 2.947 3.496 . 0 0 "[ . 1 ]" 2
383 1 29 SER H 1 30 ASN H 3.000 . 3.300 2.409 2.373 2.464 . 0 0 "[ . 1 ]" 2
384 1 29 SER HA 1 30 ASN H 4.000 . 4.300 3.484 3.448 3.515 . 0 0 "[ . 1 ]" 2
385 1 29 SER QB 1 30 ASN H 3.000 . 3.300 3.196 3.148 3.238 . 0 0 "[ . 1 ]" 2
386 1 29 SER QB 1 30 ASN QD 3.000 . 3.300 3.033 2.871 3.237 . 0 0 "[ . 1 ]" 2
387 1 29 SER H 1 31 GLY H 5.000 . 5.300 3.521 3.426 3.742 . 0 0 "[ . 1 ]" 2
388 1 29 SER HA 1 31 GLY H 4.000 . 4.300 3.903 3.592 4.039 . 0 0 "[ . 1 ]" 2
389 1 29 SER QB 1 31 GLY H 4.000 . 4.300 4.596 4.557 4.635 0.335 5 0 "[ . 1 ]" 2
390 1 30 ASN HA 1 31 GLY H 3.000 . 3.300 3.287 3.183 3.341 0.041 10 0 "[ . 1 ]" 2
391 1 30 ASN H 1 31 GLY H 3.000 . 3.300 2.092 1.920 2.448 . 0 0 "[ . 1 ]" 2
392 1 30 ASN HB3 1 31 GLY H 5.000 . 5.300 4.191 4.079 4.557 . 0 0 "[ . 1 ]" 2
393 1 30 ASN HB2 1 31 GLY H 5.000 . 5.300 3.535 3.395 3.766 . 0 0 "[ . 1 ]" 2
394 1 30 ASN H 1 32 ILE H 4.000 . 4.300 4.160 3.857 4.361 0.061 5 0 "[ . 1 ]" 2
395 1 30 ASN H 1 32 ILE MD 5.000 . 5.300 4.109 3.850 4.508 . 0 0 "[ . 1 ]" 2
396 1 30 ASN H 1 32 ILE QG 4.000 . 4.300 3.930 3.384 4.364 0.064 8 0 "[ . 1 ]" 2
397 1 30 ASN HB2 1 32 ILE H 5.000 . 5.300 4.469 4.041 4.766 . 0 0 "[ . 1 ]" 2
398 1 30 ASN HB2 1 32 ILE MD 5.000 . 5.300 2.443 2.210 2.865 . 0 0 "[ . 1 ]" 2
399 1 30 ASN QD 1 32 ILE MD 5.000 . 5.300 4.146 3.845 4.458 . 0 0 "[ . 1 ]" 2
400 1 31 GLY H 1 32 ILE H 3.000 . 3.300 3.053 2.877 3.209 . 0 0 "[ . 1 ]" 2
401 1 31 GLY H 1 32 ILE HB 5.000 . 5.300 4.859 4.643 5.155 . 0 0 "[ . 1 ]" 2
402 1 31 GLY HA3 1 32 ILE H 4.000 . 4.300 3.563 3.539 3.581 . 0 0 "[ . 1 ]" 2
403 1 31 GLY HA2 1 32 ILE H 4.000 . 4.300 2.476 2.379 2.613 . 0 0 "[ . 1 ]" 2
404 1 31 GLY HA2 1 33 TYR H 5.000 . 5.300 4.583 3.989 5.646 0.346 3 0 "[ . 1 ]" 2
405 1 32 ILE H 1 33 TYR H 4.000 . 4.300 2.603 1.973 4.445 0.145 3 0 "[ . 1 ]" 2
406 1 32 ILE HA 1 33 TYR H 3.000 . 3.300 3.317 2.112 3.603 0.303 8 0 "[ . 1 ]" 2
407 1 32 ILE HA 1 33 TYR QD 5.000 . 5.300 5.302 3.402 6.171 0.871 4 5 "[ - +. * **]" 2
408 1 32 ILE HB 1 33 TYR H 3.000 . 3.300 2.757 2.102 4.224 0.924 11 2 "[ - . 1+]" 2
409 1 32 ILE MG 1 33 TYR H 4.000 . 4.300 3.042 2.762 3.480 . 0 0 "[ . 1 ]" 2
410 1 32 ILE MG 1 33 TYR QD 4.000 . 4.300 3.198 2.263 5.096 0.796 11 1 "[ . 1+]" 2
411 1 32 ILE MD 1 33 TYR H 5.000 . 5.300 4.508 4.012 5.160 . 0 0 "[ . 1 ]" 2
412 1 32 ILE HA 1 34 ASP H 5.000 . 5.300 4.443 3.536 5.888 0.588 9 1 "[ . +1 ]" 2
413 1 32 ILE MG 1 34 ASP H 5.000 . 5.300 4.503 3.474 5.476 0.176 9 0 "[ . 1 ]" 2
414 1 33 TYR H 1 34 ASP H 3.000 . 3.300 3.008 2.154 4.543 1.243 9 2 "[ - . +1 ]" 2
415 1 33 TYR HA 1 34 ASP H 5.000 . 5.300 3.008 2.307 3.396 . 0 0 "[ . 1 ]" 2
416 1 33 TYR HA 1 35 ILE H 5.000 . 5.300 3.965 3.224 4.615 . 0 0 "[ . 1 ]" 2
417 1 34 ASP H 1 35 ILE H 3.000 . 3.300 3.169 2.230 3.856 0.556 6 2 "[- .+ 1 ]" 2
418 1 34 ASP HA 1 35 ILE H 4.000 . 4.300 3.047 2.364 3.553 . 0 0 "[ . 1 ]" 2
419 1 34 ASP QB 1 35 ILE H 5.000 . 5.300 3.661 3.152 4.011 . 0 0 "[ . 1 ]" 2
420 1 49 HIS HE1 1 51 TYR QE 3.000 . 3.300 2.355 2.297 2.507 . 0 0 "[ . 1 ]" 2
421 1 49 HIS HE1 1 51 TYR QD 4.000 . 4.300 4.347 4.255 4.474 0.174 3 0 "[ . 1 ]" 2
422 1 49 HIS HD1 1 51 TYR QD 5.000 . 5.300 5.453 5.378 5.553 0.253 1 0 "[ . 1 ]" 2
423 1 49 HIS HD1 1 51 TYR QE 5.000 . 5.300 4.193 4.084 4.380 . 0 0 "[ . 1 ]" 2
424 1 49 HIS HD1 1 74 VAL HA 5.000 . 5.300 5.641 5.537 5.740 0.440 3 0 "[ . 1 ]" 2
425 1 49 HIS HD1 1 74 VAL MG1 4.000 . 4.300 2.419 2.185 2.675 . 0 0 "[ . 1 ]" 2
426 1 49 HIS HD1 1 74 VAL MG2 5.000 . 5.300 3.363 2.821 3.947 . 0 0 "[ . 1 ]" 2
427 1 49 HIS HD1 1 74 VAL HB 4.000 . 4.300 3.733 3.579 3.881 . 0 0 "[ . 1 ]" 2
428 1 49 HIS HE1 1 74 VAL MG2 4.000 . 4.300 3.323 2.855 3.871 . 0 0 "[ . 1 ]" 2
429 1 49 HIS HE1 1 74 VAL MG1 5.000 . 5.300 3.864 3.617 4.129 . 0 0 "[ . 1 ]" 2
430 1 49 HIS HD1 1 76 ALA H 5.000 . 5.300 5.217 5.048 5.434 0.134 11 0 "[ . 1 ]" 2
431 1 49 HIS HE1 1 76 ALA H 5.000 . 5.300 4.682 4.441 4.930 . 0 0 "[ . 1 ]" 2
432 1 49 HIS HE1 1 76 ALA MB 3.500 . 3.800 3.300 3.074 3.499 . 0 0 "[ . 1 ]" 2
433 1 49 HIS HD1 1 76 ALA MB 4.000 . 4.300 4.292 3.979 4.630 0.330 6 0 "[ . 1 ]" 2
434 1 49 HIS HD2 1 76 ALA MB 5.000 . 5.300 2.563 2.403 2.915 . 0 0 "[ . 1 ]" 2
435 1 49 HIS HE1 1 77 GLU H 5.000 . 5.300 5.212 5.067 5.363 0.063 6 0 "[ . 1 ]" 2
436 1 49 HIS HE1 1 77 GLU QB 5.000 . 5.300 5.719 5.622 5.837 0.537 6 2 "[ - .+ 1 ]" 2
437 1 49 HIS HE1 1 77 GLU QG 5.000 . 5.300 4.960 4.828 5.142 . 0 0 "[ . 1 ]" 2
438 1 49 HIS HE1 1 78 LEU HA 4.000 . 4.300 2.798 2.592 3.070 . 0 0 "[ . 1 ]" 2
439 1 49 HIS HE1 1 78 LEU MD1 5.000 . 5.300 2.673 2.411 3.068 . 0 0 "[ . 1 ]" 2
440 1 49 HIS HE1 1 78 LEU HG 4.000 . 4.300 4.458 3.700 4.645 0.345 4 0 "[ . 1 ]" 2
441 1 49 HIS HE1 1 82 SER HB3 4.000 . 4.300 4.023 3.302 4.386 0.086 11 0 "[ . 1 ]" 2
442 1 49 HIS HE1 1 82 SER HG 3.000 . 3.300 2.893 2.754 3.045 . 0 0 "[ . 1 ]" 2
443 1 49 HIS HE1 1 102 PRO QB 5.000 . 5.300 5.464 5.403 5.551 0.251 4 0 "[ . 1 ]" 2
444 1 49 HIS HD2 1 102 PRO QD 5.000 . 5.300 3.414 3.215 3.583 . 0 0 "[ . 1 ]" 2
445 1 49 HIS HB3 1 105 GLN HA 3.000 . 3.300 2.296 2.276 2.314 . 0 0 "[ . 1 ]" 2
446 1 50 VAL HA 1 51 TYR H 3.000 . 3.300 2.405 2.373 2.448 . 0 0 "[ . 1 ]" 2
447 1 50 VAL H 1 51 TYR HA 5.000 . 5.300 4.785 4.741 4.889 . 0 0 "[ . 1 ]" 2
448 1 50 VAL HA 1 51 TYR QD 4.000 . 4.300 4.083 3.953 4.153 . 0 0 "[ . 1 ]" 2
449 1 50 VAL HB 1 51 TYR H 3.000 . 3.300 2.660 2.506 2.769 . 0 0 "[ . 1 ]" 2
450 1 50 VAL MG2 1 51 TYR H 4.000 . 4.300 2.743 2.623 2.898 . 0 0 "[ . 1 ]" 2
451 1 50 VAL MG2 1 51 TYR HA 5.000 . 5.300 3.575 3.502 3.640 . 0 0 "[ . 1 ]" 2
452 1 50 VAL MG2 1 51 TYR QD 5.000 . 5.300 4.801 4.723 4.872 . 0 0 "[ . 1 ]" 2
453 1 50 VAL MG2 1 82 SER HA 5.000 . 5.300 5.161 5.054 5.266 . 0 0 "[ . 1 ]" 2
454 1 50 VAL H 1 83 ARG H 3.000 . 3.300 3.530 3.433 3.666 0.366 3 0 "[ . 1 ]" 2
455 1 50 VAL HB 1 100 ASP H 4.000 . 4.300 4.307 4.140 4.392 0.092 2 0 "[ . 1 ]" 2
456 1 50 VAL MG2 1 100 ASP H 3.000 . 3.300 3.559 3.523 3.601 0.301 11 0 "[ . 1 ]" 2
457 1 50 VAL HA 1 101 VAL HA 3.000 . 3.300 2.793 2.544 2.945 . 0 0 "[ . 1 ]" 2
458 1 50 VAL MG1 1 102 PRO HD3 5.000 . 5.300 4.160 4.081 4.333 . 0 0 "[ . 1 ]" 2
459 1 50 VAL H 1 102 PRO QD 5.000 . 5.300 4.642 4.569 4.700 . 0 0 "[ . 1 ]" 2
460 1 50 VAL HA 1 102 PRO HD3 3.000 . 3.300 2.380 2.326 2.471 . 0 0 "[ . 1 ]" 2
461 1 51 TYR H 1 52 VAL H 5.000 . 5.300 4.210 4.180 4.236 . 0 0 "[ . 1 ]" 2
462 1 51 TYR HA 1 52 VAL H 3.000 . 3.300 2.121 2.094 2.142 . 0 0 "[ . 1 ]" 2
463 1 51 TYR HA 1 52 VAL QG 4.000 . 4.300 3.649 3.473 3.858 . 0 0 "[ . 1 ]" 2
464 1 51 TYR HB2 1 52 VAL H 4.000 . 4.300 4.345 4.317 4.373 0.073 1 0 "[ . 1 ]" 2
465 1 51 TYR HB3 1 52 VAL H 4.000 . 4.300 3.690 3.635 3.726 . 0 0 "[ . 1 ]" 2
466 1 51 TYR QE 1 71 LEU MD2 4.000 . 4.300 4.769 4.663 4.920 0.620 1 4 "[+ * . * -1 ]" 2
467 1 51 TYR QE 1 76 ALA MB 4.000 . 4.300 3.511 3.148 3.863 . 0 0 "[ . 1 ]" 2
468 1 51 TYR QE 1 78 LEU HA 4.000 . 4.300 2.510 2.323 2.686 . 0 0 "[ . 1 ]" 2
469 1 51 TYR QE 1 78 LEU MD1 4.000 . 4.300 3.233 2.878 3.715 . 0 0 "[ . 1 ]" 2
470 1 51 TYR HH 1 78 LEU HA 4.000 . 4.300 3.236 2.318 4.139 . 0 0 "[ . 1 ]" 2
471 1 51 TYR HH 1 78 LEU MD1 5.000 . 5.300 4.289 2.838 5.155 . 0 0 "[ . 1 ]" 2
472 1 51 TYR QD 1 79 LYS H 4.000 . 4.300 3.758 3.471 4.049 . 0 0 "[ . 1 ]" 2
473 1 51 TYR QE 1 79 LYS H 5.000 . 5.300 2.547 2.321 2.810 . 0 0 "[ . 1 ]" 2
474 1 51 TYR QD 1 79 LYS QB 3.000 . 3.300 2.254 2.220 2.278 . 0 0 "[ . 1 ]" 2
475 1 51 TYR QD 1 79 LYS HG2 4.000 . 4.300 3.636 3.485 3.735 . 0 0 "[ . 1 ]" 2
476 1 51 TYR QD 1 79 LYS HG3 3.000 . 3.300 2.704 2.668 2.753 . 0 0 "[ . 1 ]" 2
477 1 51 TYR QD 1 79 LYS QD 4.000 . 4.300 4.414 4.360 4.513 0.213 1 0 "[ . 1 ]" 2
478 1 51 TYR HA 1 81 ASN QD 5.000 . 5.300 4.090 3.577 4.323 . 0 0 "[ . 1 ]" 2
479 1 51 TYR QB 1 81 ASN QD 4.000 . 4.300 3.391 2.967 3.688 . 0 0 "[ . 1 ]" 2
480 1 51 TYR HA 1 82 SER HA 3.000 . 3.300 3.022 2.917 3.178 . 0 0 "[ . 1 ]" 2
481 1 51 TYR HA 1 82 SER H 5.000 . 5.300 5.553 5.485 5.652 0.352 10 0 "[ . 1 ]" 2
482 1 51 TYR QB 1 82 SER HA 5.000 . 5.300 4.473 4.338 4.657 . 0 0 "[ . 1 ]" 2
483 1 51 TYR QD 1 82 SER H 4.000 . 4.300 4.361 4.314 4.428 0.128 4 0 "[ . 1 ]" 2
484 1 51 TYR QD 1 82 SER HA 3.000 . 3.300 2.383 2.311 2.540 . 0 0 "[ . 1 ]" 2
485 1 51 TYR QD 1 82 SER HG 4.000 . 4.300 3.271 2.731 3.508 . 0 0 "[ . 1 ]" 2
486 1 51 TYR QE 1 82 SER HA 3.000 . 3.300 3.579 3.443 3.775 0.475 3 0 "[ . 1 ]" 2
487 1 51 TYR QE 1 82 SER HG 4.000 . 4.300 1.818 1.694 1.926 0.106 3 0 "[ . 1 ]" 2
488 1 51 TYR QE 1 82 SER HB2 4.000 . 4.300 4.207 3.978 4.322 0.022 11 0 "[ . 1 ]" 2
489 1 51 TYR QE 1 82 SER HB3 4.000 . 4.300 3.487 2.886 3.839 . 0 0 "[ . 1 ]" 2
490 1 51 TYR HA 1 83 ARG H 5.000 . 5.300 3.856 3.614 4.039 . 0 0 "[ . 1 ]" 2
491 1 51 TYR QD 1 83 ARG H 4.000 . 4.300 4.062 3.841 4.249 . 0 0 "[ . 1 ]" 2
492 1 51 TYR H 1 100 ASP H 3.000 . 3.300 3.159 3.062 3.243 . 0 0 "[ . 1 ]" 2
493 1 51 TYR HA 1 100 ASP HB2 4.000 . 4.300 4.573 4.536 4.592 0.292 10 0 "[ . 1 ]" 2
494 1 51 TYR HB2 1 100 ASP HA 5.000 . 5.300 4.367 4.305 4.413 . 0 0 "[ . 1 ]" 2
495 1 51 TYR HB3 1 100 ASP H 4.000 . 4.300 4.305 4.210 4.365 0.065 5 0 "[ . 1 ]" 2
496 1 51 TYR H 1 101 VAL HA 3.000 . 3.300 3.295 3.115 3.392 0.092 9 0 "[ . 1 ]" 2
497 1 51 TYR QB 1 102 PRO QD 5.000 . 5.300 4.190 4.079 4.276 . 0 0 "[ . 1 ]" 2
498 1 51 TYR QE 1 102 PRO HA 4.000 . 4.300 4.277 4.140 4.374 0.074 10 0 "[ . 1 ]" 2
499 1 51 TYR QD 1 102 PRO QB 3.000 . 3.300 3.467 3.381 3.608 0.308 7 0 "[ . 1 ]" 2
500 1 51 TYR QD 1 102 PRO QD 5.000 . 5.300 3.031 2.763 3.154 . 0 0 "[ . 1 ]" 2
501 1 51 TYR H 1 102 PRO QD 5.000 . 5.300 3.277 3.176 3.376 . 0 0 "[ . 1 ]" 2
502 1 51 TYR QE 1 102 PRO QB 4.000 . 4.300 2.161 2.139 2.194 . 0 0 "[ . 1 ]" 2
503 1 52 VAL H 1 53 ASN H 5.000 . 5.300 4.582 4.560 4.601 . 0 0 "[ . 1 ]" 2
504 1 52 VAL HA 1 53 ASN H 3.000 . 3.300 2.248 2.231 2.263 . 0 0 "[ . 1 ]" 2
505 1 52 VAL HB 1 53 ASN H 5.000 . 5.300 4.104 4.020 4.157 . 0 0 "[ . 1 ]" 2
506 1 52 VAL QG 1 53 ASN H 3.000 . 3.300 2.519 2.450 2.614 . 0 0 "[ . 1 ]" 2
507 1 52 VAL QG 1 56 PHE H 4.000 . 4.300 3.314 3.047 3.581 . 0 0 "[ . 1 ]" 2
508 1 52 VAL QG 1 56 PHE HB3 3.000 . 3.300 3.371 3.283 3.455 0.155 1 0 "[ . 1 ]" 2
509 1 52 VAL QG 1 56 PHE HB2 3.000 . 3.300 2.452 2.332 2.591 . 0 0 "[ . 1 ]" 2
510 1 52 VAL HB 1 57 THR H 4.000 . 4.300 4.642 4.596 4.682 0.382 9 0 "[ . 1 ]" 2
511 1 52 VAL H 1 57 THR MG 5.000 . 5.300 3.666 3.588 3.725 . 0 0 "[ . 1 ]" 2
512 1 52 VAL HB 1 57 THR HA 4.000 . 4.300 4.186 3.967 4.346 0.046 8 0 "[ . 1 ]" 2
513 1 52 VAL HB 1 57 THR MG 4.000 . 4.300 2.008 1.994 2.027 . 0 0 "[ . 1 ]" 2
514 1 52 VAL QG 1 57 THR H 4.000 . 4.300 3.373 3.039 3.698 . 0 0 "[ . 1 ]" 2
515 1 52 VAL QG 1 57 THR HA 3.000 . 3.300 3.297 3.231 3.340 0.040 9 0 "[ . 1 ]" 2
516 1 52 VAL QG 1 57 THR HB 5.000 . 5.300 4.411 4.321 4.487 . 0 0 "[ . 1 ]" 2
517 1 52 VAL QG 1 57 THR MG 4.000 . 4.300 2.234 2.089 2.415 . 0 0 "[ . 1 ]" 2
518 1 52 VAL H 1 81 ASN HD21 5.000 . 5.300 5.074 3.138 5.537 0.237 7 0 "[ . 1 ]" 2
519 1 52 VAL H 1 81 ASN HD22 5.000 . 5.300 4.092 3.468 4.288 . 0 0 "[ . 1 ]" 2
520 1 52 VAL HB 1 81 ASN HD22 5.000 . 5.300 5.072 4.260 5.244 . 0 0 "[ . 1 ]" 2
521 1 52 VAL H 1 82 SER HA 5.000 . 5.300 3.853 3.730 4.099 . 0 0 "[ . 1 ]" 2
522 1 52 VAL QG 1 82 SER HA 5.000 . 5.300 4.710 4.410 4.952 . 0 0 "[ . 1 ]" 2
523 1 52 VAL QG 1 83 ARG H 5.000 . 5.300 4.280 3.839 4.678 . 0 0 "[ . 1 ]" 2
524 1 52 VAL QG 1 83 ARG HE 5.000 . 5.300 4.517 3.069 5.349 0.049 11 0 "[ . 1 ]" 2
525 1 52 VAL H 1 83 ARG H 5.000 . 5.300 4.423 4.093 4.637 . 0 0 "[ . 1 ]" 2
526 1 52 VAL QG 1 88 ILE HB 4.000 . 4.300 4.591 4.318 4.801 0.501 2 1 "[ + . 1 ]" 2
527 1 52 VAL HB 1 97 ILE MD 5.000 . 5.300 4.330 4.072 4.544 . 0 0 "[ . 1 ]" 2
528 1 52 VAL QG 1 97 ILE MD 3.000 . 3.300 1.925 1.790 2.053 0.010 5 0 "[ . 1 ]" 2
529 1 52 VAL HA 1 99 VAL HA 3.000 . 3.300 2.275 2.242 2.297 . 0 0 "[ . 1 ]" 2
530 1 52 VAL H 1 99 VAL HA 4.000 . 4.300 4.838 4.772 4.871 0.571 11 10 [********-1+] 2
531 1 52 VAL H 1 99 VAL MG1 4.000 . 4.300 4.222 4.159 4.311 0.011 11 0 "[ . 1 ]" 2
532 1 52 VAL HA 1 99 VAL HB 5.000 . 5.300 5.050 5.012 5.122 . 0 0 "[ . 1 ]" 2
533 1 52 VAL HA 1 99 VAL MG1 5.000 . 5.300 2.805 2.753 2.902 . 0 0 "[ . 1 ]" 2
534 1 52 VAL QG 1 99 VAL MG1 4.000 . 4.300 2.290 2.215 2.383 . 0 0 "[ . 1 ]" 2
535 1 52 VAL HA 1 100 ASP H 5.000 . 5.300 3.095 3.031 3.139 . 0 0 "[ . 1 ]" 2
536 1 52 VAL HA 1 100 ASP QB 4.000 . 4.300 4.436 4.405 4.456 0.156 9 0 "[ . 1 ]" 2
537 1 53 ASN HA 1 54 GLU H 3.000 . 3.300 2.188 2.172 2.208 . 0 0 "[ . 1 ]" 2
538 1 53 ASN HB3 1 54 GLU H 5.000 . 5.300 4.274 3.709 4.473 . 0 0 "[ . 1 ]" 2
539 1 53 ASN HB2 1 54 GLU H 5.000 . 5.300 4.026 3.385 4.535 . 0 0 "[ . 1 ]" 2
540 1 53 ASN QD 1 54 GLU H 5.000 . 5.300 4.597 4.141 4.828 . 0 0 "[ . 1 ]" 2
541 1 53 ASN H 1 56 PHE HB2 5.000 . 5.300 4.518 4.424 4.662 . 0 0 "[ . 1 ]" 2
542 1 53 ASN QB 1 56 PHE QD 3.000 . 3.300 2.797 2.440 3.277 . 0 0 "[ . 1 ]" 2
543 1 53 ASN H 1 57 THR MG 5.000 . 5.300 4.374 4.273 4.457 . 0 0 "[ . 1 ]" 2
544 1 53 ASN HA 1 81 ASN QD 4.000 . 4.300 4.226 3.663 4.444 0.144 4 0 "[ . 1 ]" 2
545 1 53 ASN H 1 97 ILE MD 5.000 . 5.300 3.669 2.796 4.801 . 0 0 "[ . 1 ]" 2
546 1 53 ASN QD 1 97 ILE HA 5.000 . 5.300 4.064 3.084 5.086 . 0 0 "[ . 1 ]" 2
547 1 53 ASN QD 1 97 ILE MD 5.000 . 5.300 4.612 3.054 5.496 0.196 9 0 "[ . 1 ]" 2
548 1 53 ASN H 1 98 VAL HB 3.000 . 3.300 3.633 3.490 3.726 0.426 5 0 "[ . 1 ]" 2
549 1 53 ASN H 1 98 VAL MG1 5.000 . 5.300 4.514 4.356 4.602 . 0 0 "[ . 1 ]" 2
550 1 53 ASN H 1 98 VAL H 5.000 . 5.300 3.858 3.712 3.951 . 0 0 "[ . 1 ]" 2
551 1 53 ASN HA 1 98 VAL H 5.000 . 5.300 5.525 5.385 5.623 0.323 3 0 "[ . 1 ]" 2
552 1 53 ASN HB3 1 98 VAL H 4.000 . 4.300 2.983 2.595 3.862 . 0 0 "[ . 1 ]" 2
553 1 53 ASN HB2 1 98 VAL H 4.000 . 4.300 3.662 2.512 4.275 . 0 0 "[ . 1 ]" 2
554 1 53 ASN QB 1 98 VAL HB 4.000 . 4.300 2.214 2.158 2.329 . 0 0 "[ . 1 ]" 2
555 1 53 ASN QB 1 98 VAL MG1 4.000 . 4.300 3.561 3.467 3.884 . 0 0 "[ . 1 ]" 2
556 1 53 ASN QD 1 98 VAL HA 5.000 . 5.300 5.279 4.711 5.450 0.150 1 0 "[ . 1 ]" 2
557 1 53 ASN HD21 1 98 VAL HB 5.000 . 5.300 3.532 3.101 4.555 . 0 0 "[ . 1 ]" 2
558 1 53 ASN HD22 1 98 VAL HB 5.000 . 5.300 4.553 3.350 4.914 . 0 0 "[ . 1 ]" 2
559 1 53 ASN H 1 99 VAL HA 4.000 . 4.300 3.067 3.005 3.173 . 0 0 "[ . 1 ]" 2
560 1 53 ASN H 1 99 VAL MG1 4.000 . 4.300 4.406 4.343 4.515 0.215 4 0 "[ . 1 ]" 2
561 1 54 GLU H 1 55 ALA H 3.000 . 3.300 3.070 3.000 3.114 . 0 0 "[ . 1 ]" 2
562 1 54 GLU HA 1 55 ALA H 4.000 . 4.300 3.215 3.183 3.255 . 0 0 "[ . 1 ]" 2
563 1 54 GLU QB 1 55 ALA H 4.000 . 4.300 3.974 3.939 3.999 . 0 0 "[ . 1 ]" 2
564 1 54 GLU QG 1 55 ALA H 4.000 . 4.300 3.196 3.108 3.364 . 0 0 "[ . 1 ]" 2
565 1 54 GLU HA 1 56 PHE H 4.000 . 4.300 3.909 3.838 3.993 . 0 0 "[ . 1 ]" 2
566 1 54 GLU H 1 57 THR H 5.000 . 5.300 5.291 5.202 5.341 0.041 2 0 "[ . 1 ]" 2
567 1 54 GLU H 1 57 THR MG 5.000 . 5.300 4.188 3.899 4.428 . 0 0 "[ . 1 ]" 2
568 1 54 GLU HA 1 57 THR MG 3.000 . 3.300 2.596 2.263 2.888 . 0 0 "[ . 1 ]" 2
569 1 54 GLU HA 1 81 ASN HB3 5.000 . 5.300 3.791 3.444 3.948 . 0 0 "[ . 1 ]" 2
570 1 54 GLU H 1 81 ASN QD 5.000 . 5.300 3.674 3.381 3.837 . 0 0 "[ . 1 ]" 2
571 1 54 GLU HB3 1 81 ASN QD 5.000 . 5.300 3.299 3.015 3.603 . 0 0 "[ . 1 ]" 2
572 1 54 GLU QG 1 81 ASN QD 5.000 . 5.300 4.545 4.299 4.835 . 0 0 "[ . 1 ]" 2
573 1 55 ALA H 1 56 PHE H 4.000 . 4.300 2.210 2.149 2.257 . 0 0 "[ . 1 ]" 2
574 1 55 ALA HA 1 56 PHE H 4.000 . 4.300 3.501 3.478 3.513 . 0 0 "[ . 1 ]" 2
575 1 55 ALA H 1 56 PHE QD 4.000 . 4.300 3.022 2.933 3.186 . 0 0 "[ . 1 ]" 2
576 1 55 ALA MB 1 56 PHE QD 4.000 . 4.300 2.297 2.266 2.384 . 0 0 "[ . 1 ]" 2
577 1 55 ALA MB 1 56 PHE QE 4.000 . 4.300 2.551 2.442 2.700 . 0 0 "[ . 1 ]" 2
578 1 55 ALA MB 1 56 PHE H 4.000 . 4.300 3.012 2.927 3.098 . 0 0 "[ . 1 ]" 2
579 1 55 ALA MB 1 56 PHE HZ 4.000 . 4.300 4.275 4.155 4.410 0.110 9 0 "[ . 1 ]" 2
580 1 55 ALA H 1 57 THR H 4.000 . 4.300 3.473 3.428 3.540 . 0 0 "[ . 1 ]" 2
581 1 55 ALA HA 1 57 THR H 5.000 . 5.300 4.207 4.121 4.280 . 0 0 "[ . 1 ]" 2
582 1 55 ALA HA 1 58 ASP QB 5.000 . 5.300 5.380 5.304 5.508 0.208 10 0 "[ . 1 ]" 2
583 1 56 PHE H 1 57 THR H 3.000 . 3.300 1.961 1.889 2.029 . 0 0 "[ . 1 ]" 2
584 1 56 PHE HA 1 57 THR H 4.000 . 4.300 3.368 3.317 3.400 . 0 0 "[ . 1 ]" 2
585 1 56 PHE HB3 1 57 THR H 4.000 . 4.300 4.096 4.013 4.176 . 0 0 "[ . 1 ]" 2
586 1 56 PHE HB2 1 57 THR H 5.000 . 5.300 3.258 3.138 3.370 . 0 0 "[ . 1 ]" 2
587 1 56 PHE H 1 57 THR MG 4.000 . 4.300 3.436 3.273 3.665 . 0 0 "[ . 1 ]" 2
588 1 56 PHE HA 1 59 LYS H 3.000 . 3.300 3.524 3.367 3.591 0.291 7 0 "[ . 1 ]" 2
589 1 56 PHE HA 1 59 LYS QB 4.000 . 4.300 2.609 2.327 2.858 . 0 0 "[ . 1 ]" 2
590 1 56 PHE HA 1 59 LYS QG 4.000 . 4.300 2.337 2.281 2.502 . 0 0 "[ . 1 ]" 2
591 1 56 PHE HA 1 59 LYS QD 4.000 . 4.300 2.615 2.310 2.977 . 0 0 "[ . 1 ]" 2
592 1 56 PHE QD 1 59 LYS QB 8.400 . 8.700 4.092 3.935 4.286 . 0 0 "[ . 1 ]" 2
593 1 56 PHE QD 1 59 LYS QG 5.000 . 5.300 4.680 4.552 4.815 . 0 0 "[ . 1 ]" 2
594 1 56 PHE QD 1 59 LYS QD 5.000 . 5.300 4.007 3.578 4.376 . 0 0 "[ . 1 ]" 2
595 1 56 PHE HA 1 60 VAL H 5.000 . 5.300 3.758 3.511 3.880 . 0 0 "[ . 1 ]" 2
596 1 56 PHE HA 1 60 VAL HB 4.000 . 4.300 4.245 3.934 4.401 0.101 5 0 "[ . 1 ]" 2
597 1 56 PHE HB3 1 60 VAL QG 5.000 . 5.300 3.488 3.326 3.575 . 0 0 "[ . 1 ]" 2
598 1 56 PHE QE 1 90 MET ME 4.000 . 4.300 3.753 3.606 3.940 . 0 0 "[ . 1 ]" 2
599 1 56 PHE HA 1 94 LEU MD1 3.000 . 3.300 3.577 3.310 3.718 0.418 9 0 "[ . 1 ]" 2
600 1 56 PHE HA 1 94 LEU MD2 3.000 . 3.300 2.717 2.324 3.700 0.400 6 0 "[ . 1 ]" 2
601 1 56 PHE QD 1 94 LEU HB2 4.000 . 4.300 3.974 3.854 4.024 . 0 0 "[ . 1 ]" 2
602 1 56 PHE QD 1 94 LEU MD1 4.000 . 4.300 3.123 2.962 3.335 . 0 0 "[ . 1 ]" 2
603 1 56 PHE QD 1 94 LEU MD2 3.000 . 3.300 2.283 2.014 2.998 . 0 0 "[ . 1 ]" 2
604 1 56 PHE QD 1 94 LEU HA 4.000 . 4.300 3.732 3.323 3.931 . 0 0 "[ . 1 ]" 2
605 1 56 PHE QE 1 94 LEU HG 5.000 . 5.300 5.135 4.888 5.595 0.295 6 0 "[ . 1 ]" 2
606 1 56 PHE QE 1 94 LEU HA 4.000 . 4.300 3.100 2.667 3.336 . 0 0 "[ . 1 ]" 2
607 1 56 PHE QE 1 94 LEU HB3 4.000 . 4.300 3.353 3.257 3.412 . 0 0 "[ . 1 ]" 2
608 1 56 PHE QE 1 94 LEU MD2 3.000 . 3.300 2.792 2.402 3.537 0.237 6 0 "[ . 1 ]" 2
609 1 56 PHE QD 1 96 GLY H 5.000 . 5.300 5.717 5.600 5.872 0.572 6 3 "[ *+ -1 ]" 2
610 1 56 PHE QE 1 96 GLY HA3 4.000 . 4.300 3.805 3.636 4.076 . 0 0 "[ . 1 ]" 2
611 1 56 PHE HZ 1 96 GLY HA3 5.000 . 5.300 3.125 2.811 3.439 . 0 0 "[ . 1 ]" 2
612 1 56 PHE HZ 1 96 GLY HA2 5.000 . 5.300 4.530 4.248 4.844 . 0 0 "[ . 1 ]" 2
613 1 56 PHE HA 1 97 ILE HB 5.000 . 5.300 5.247 4.980 5.391 0.091 4 0 "[ . 1 ]" 2
614 1 56 PHE HA 1 97 ILE MD 5.000 . 5.300 4.732 4.301 5.820 0.520 4 1 "[ +. 1 ]" 2
615 1 56 PHE HB3 1 97 ILE HG12 5.000 . 5.300 4.041 2.724 4.557 . 0 0 "[ . 1 ]" 2
616 1 56 PHE HB2 1 97 ILE HG12 5.000 . 5.300 3.736 2.212 4.315 . 0 0 "[ . 1 ]" 2
617 1 56 PHE HB3 1 97 ILE HG13 5.000 . 5.300 3.711 2.310 5.274 . 0 0 "[ . 1 ]" 2
618 1 56 PHE HB3 1 97 ILE MD 4.000 . 4.300 2.740 2.264 4.071 . 0 0 "[ . 1 ]" 2
619 1 56 PHE HB2 1 97 ILE HA 5.000 . 5.300 3.946 3.766 4.111 . 0 0 "[ . 1 ]" 2
620 1 56 PHE HB2 1 97 ILE MD 4.000 . 4.300 2.612 2.004 3.452 . 0 0 "[ . 1 ]" 2
621 1 56 PHE QD 1 97 ILE MG 4.000 . 4.300 3.888 3.415 4.220 . 0 0 "[ . 1 ]" 2
622 1 56 PHE QD 1 97 ILE HG13 5.000 . 5.300 3.843 3.059 5.086 . 0 0 "[ . 1 ]" 2
623 1 56 PHE QD 1 97 ILE HG12 4.000 . 4.300 4.135 2.720 4.476 0.176 5 0 "[ . 1 ]" 2
624 1 56 PHE HB3 1 97 ILE HB 3.000 . 3.300 3.283 2.980 3.501 0.201 4 0 "[ . 1 ]" 2
625 1 56 PHE QD 1 97 ILE H 4.000 . 4.300 4.195 3.999 4.348 0.048 5 0 "[ . 1 ]" 2
626 1 56 PHE QD 1 97 ILE HA 5.000 . 5.300 3.099 3.027 3.156 . 0 0 "[ . 1 ]" 2
627 1 56 PHE QD 1 97 ILE HB 5.000 . 5.300 2.537 2.340 2.851 . 0 0 "[ . 1 ]" 2
628 1 56 PHE QD 1 97 ILE MD 5.000 . 5.300 3.183 2.666 3.947 . 0 0 "[ . 1 ]" 2
629 1 56 PHE QE 1 97 ILE HA 4.000 . 4.300 2.965 2.913 3.002 . 0 0 "[ . 1 ]" 2
630 1 56 PHE QE 1 97 ILE HB 5.000 . 5.300 3.401 3.267 3.585 . 0 0 "[ . 1 ]" 2
631 1 56 PHE QE 1 97 ILE MD 5.000 . 5.300 4.431 3.798 4.930 . 0 0 "[ . 1 ]" 2
632 1 56 PHE HZ 1 97 ILE HA 4.000 . 4.300 3.298 3.179 3.444 . 0 0 "[ . 1 ]" 2
633 1 56 PHE HB3 1 98 VAL H 5.000 . 5.300 5.429 5.316 5.483 0.183 2 0 "[ . 1 ]" 2
634 1 56 PHE QD 1 98 VAL H 3.000 . 3.300 3.431 3.317 3.524 0.224 2 0 "[ . 1 ]" 2
635 1 56 PHE QE 1 98 VAL H 5.000 . 5.300 3.512 3.428 3.583 . 0 0 "[ . 1 ]" 2
636 1 56 PHE QE 1 98 VAL MG2 3.000 . 3.300 3.254 3.160 3.342 0.042 7 0 "[ . 1 ]" 2
637 1 56 PHE HZ 1 98 VAL MG2 4.000 . 4.300 4.300 4.144 4.512 0.212 6 0 "[ . 1 ]" 2
638 1 57 THR H 1 58 ASP H 3.000 . 3.300 2.588 2.557 2.610 . 0 0 "[ . 1 ]" 2
639 1 57 THR HA 1 58 ASP H 4.000 . 4.300 3.543 3.531 3.551 . 0 0 "[ . 1 ]" 2
640 1 57 THR HB 1 58 ASP H 4.000 . 4.300 3.489 3.411 3.557 . 0 0 "[ . 1 ]" 2
641 1 57 THR MG 1 58 ASP H 4.000 . 4.300 3.952 3.861 4.045 . 0 0 "[ . 1 ]" 2
642 1 57 THR H 1 59 LYS QG 3.000 . 3.300 3.870 3.764 3.978 0.678 5 9 "[****+* -** ]" 2
643 1 57 THR H 1 59 LYS QD 5.000 . 5.300 5.137 4.982 5.285 . 0 0 "[ . 1 ]" 2
644 1 57 THR HA 1 60 VAL H 4.000 . 4.300 3.673 3.566 3.862 . 0 0 "[ . 1 ]" 2
645 1 57 THR HA 1 60 VAL HB 4.000 . 4.300 3.860 3.690 4.239 . 0 0 "[ . 1 ]" 2
646 1 57 THR HA 1 60 VAL QG 3.000 . 3.300 2.965 2.751 3.334 0.034 11 0 "[ . 1 ]" 2
647 1 57 THR MG 1 81 ASN HB3 4.000 . 4.300 3.611 3.136 3.822 . 0 0 "[ . 1 ]" 2
648 1 57 THR MG 1 81 ASN QD 4.000 . 4.300 3.544 2.138 3.970 . 0 0 "[ . 1 ]" 2
649 1 57 THR MG 1 81 ASN HD22 5.000 . 5.300 4.077 3.575 4.422 . 0 0 "[ . 1 ]" 2
650 1 58 ASP H 1 59 LYS H 3.000 . 3.300 2.617 2.516 2.706 . 0 0 "[ . 1 ]" 2
651 1 58 ASP HA 1 59 LYS H 4.000 . 4.300 3.172 3.070 3.271 . 0 0 "[ . 1 ]" 2
652 1 58 ASP QB 1 59 LYS H 4.000 . 4.300 3.932 3.844 3.995 . 0 0 "[ . 1 ]" 2
653 1 58 ASP H 1 60 VAL H 4.000 . 4.300 4.295 4.219 4.356 0.056 11 0 "[ . 1 ]" 2
654 1 58 ASP HA 1 60 VAL H 4.000 . 4.300 4.638 4.594 4.673 0.373 2 0 "[ . 1 ]" 2
655 1 59 LYS H 1 60 VAL H 3.000 . 3.300 1.958 1.898 2.055 . 0 0 "[ . 1 ]" 2
656 1 59 LYS HA 1 60 VAL H 4.000 . 4.300 3.542 3.528 3.557 . 0 0 "[ . 1 ]" 2
657 1 59 LYS QB 1 60 VAL QG 4.000 . 4.300 3.926 3.833 4.019 . 0 0 "[ . 1 ]" 2
658 1 59 LYS QB 1 60 VAL H 4.000 . 4.300 2.574 2.485 2.651 . 0 0 "[ . 1 ]" 2
659 1 59 LYS QG 1 60 VAL H 5.000 . 5.300 3.507 3.400 3.625 . 0 0 "[ . 1 ]" 2
660 1 59 LYS HA 1 94 LEU MD2 4.000 . 4.300 4.331 4.041 4.513 0.213 10 0 "[ . 1 ]" 2
661 1 59 LYS HA 1 94 LEU MD1 5.000 . 5.300 3.812 3.497 4.198 . 0 0 "[ . 1 ]" 2
662 1 59 LYS HB3 1 94 LEU MD2 5.000 . 5.300 2.446 2.182 2.628 . 0 0 "[ . 1 ]" 2
663 1 59 LYS HB2 1 94 LEU MD1 3.000 . 3.300 2.259 2.138 2.496 . 0 0 "[ . 1 ]" 2
664 1 60 VAL HA 1 61 PRO HD2 3.000 . 3.300 2.730 2.513 3.036 . 0 0 "[ . 1 ]" 2
665 1 60 VAL HA 1 61 PRO HD3 3.000 . 3.300 2.407 2.318 2.480 . 0 0 "[ . 1 ]" 2
666 1 60 VAL HB 1 61 PRO HD2 4.000 . 4.300 3.857 3.811 3.924 . 0 0 "[ . 1 ]" 2
667 1 60 VAL H 1 61 PRO HD3 5.000 . 5.300 5.135 5.078 5.205 . 0 0 "[ . 1 ]" 2
668 1 60 VAL QG 1 61 PRO HD2 3.000 . 3.300 1.880 1.860 1.914 . 0 0 "[ . 1 ]" 2
669 1 60 VAL QG 1 61 PRO HD3 4.000 . 4.300 2.591 2.284 2.796 . 0 0 "[ . 1 ]" 2
670 1 60 VAL QG 1 83 ARG HH12 5.000 . 5.300 3.289 1.732 4.341 0.068 5 0 "[ . 1 ]" 2
671 1 60 VAL QG 1 83 ARG QH2 4.000 . 4.300 2.653 1.678 4.991 0.691 1 1 "[+ . 1 ]" 2
672 1 60 VAL QG 1 88 ILE MD 3.000 . 3.300 3.041 2.497 3.365 0.065 4 0 "[ . 1 ]" 2
673 1 60 VAL QG 1 88 ILE MG 4.000 . 4.300 1.917 1.826 2.044 . 0 0 "[ . 1 ]" 2
674 1 60 VAL HB 1 89 ILE H 5.000 . 5.300 5.440 5.328 5.651 0.351 7 0 "[ . 1 ]" 2
675 1 60 VAL HB 1 90 MET ME 4.000 . 4.300 4.239 3.644 4.598 0.298 8 0 "[ . 1 ]" 2
676 1 60 VAL QG 1 90 MET HA 3.000 . 3.300 2.988 2.629 3.166 . 0 0 "[ . 1 ]" 2
677 1 60 VAL HA 1 94 LEU MD1 5.000 . 5.300 2.523 2.336 2.622 . 0 0 "[ . 1 ]" 2
678 1 60 VAL HB 1 94 LEU MD1 3.000 . 3.300 2.671 2.423 2.921 . 0 0 "[ . 1 ]" 2
679 1 60 VAL QG 1 94 LEU HB2 3.000 . 3.300 3.603 3.524 3.712 0.412 6 0 "[ . 1 ]" 2
680 1 60 VAL QG 1 94 LEU HB3 3.000 . 3.300 3.481 3.410 3.531 0.231 4 0 "[ . 1 ]" 2
681 1 61 PRO HA 1 62 ALA H 3.000 . 3.300 2.211 2.148 2.322 . 0 0 "[ . 1 ]" 2
682 1 61 PRO HA 1 62 ALA MB 4.000 . 4.300 4.075 4.015 4.126 . 0 0 "[ . 1 ]" 2
683 1 61 PRO HB3 1 62 ALA H 4.000 . 4.300 4.203 4.009 4.378 0.078 5 0 "[ . 1 ]" 2
684 1 61 PRO HB2 1 62 ALA H 4.000 . 4.300 4.117 3.971 4.270 . 0 0 "[ . 1 ]" 2
685 1 61 PRO QG 1 62 ALA H 5.000 . 5.300 5.004 4.973 5.038 . 0 0 "[ . 1 ]" 2
686 1 61 PRO QG 1 89 ILE H 5.000 . 5.300 2.904 2.441 3.296 . 0 0 "[ . 1 ]" 2
687 1 61 PRO QD 1 62 ALA H 5.000 . 5.300 4.738 4.592 4.861 . 0 0 "[ . 1 ]" 2
688 1 62 ALA HA 1 63 ALA H 3.000 . 3.300 2.211 2.164 2.258 . 0 0 "[ . 1 ]" 2
689 1 62 ALA H 1 63 ALA H 3.000 . 3.300 4.268 4.175 4.350 1.050 6 11 [*-***+*****] 2
690 1 62 ALA MB 1 63 ALA H 4.000 . 4.300 3.478 3.354 3.520 . 0 0 "[ . 1 ]" 2
691 1 62 ALA HA 1 83 ARG QH2 3.000 . 3.300 2.358 1.718 3.635 0.335 6 0 "[ . 1 ]" 2
692 1 63 ALA HA 1 64 ASN H 3.000 . 3.300 2.243 2.175 2.392 . 0 0 "[ . 1 ]" 2
693 1 63 ALA MB 1 64 ASN H 5.000 . 5.500 2.672 2.238 2.902 . 0 0 "[ . 1 ]" 2
694 1 63 ALA MB 1 67 GLU QG 4.000 . 4.300 2.817 2.290 3.968 . 0 0 "[ . 1 ]" 2
695 1 63 ALA MB 1 68 ILE MD 5.000 . 5.300 4.153 3.142 5.437 0.137 1 0 "[ . 1 ]" 2
696 1 63 ALA H 1 83 ARG HD3 5.000 . 5.300 4.992 3.327 5.634 0.334 11 0 "[ . 1 ]" 2
697 1 63 ALA MB 1 83 ARG HE 4.000 . 4.300 4.115 3.268 4.831 0.531 6 1 "[ .+ 1 ]" 2
698 1 63 ALA MB 1 83 ARG HD3 5.000 . 5.300 4.843 2.825 5.702 0.402 7 0 "[ . 1 ]" 2
699 1 63 ALA MB 1 83 ARG QH1 5.000 . 5.300 3.805 1.859 5.733 0.433 7 0 "[ . 1 ]" 2
700 1 64 ASN HA 1 65 GLU H 3.000 . 3.300 2.676 2.541 2.767 . 0 0 "[ . 1 ]" 2
701 1 64 ASN HB3 1 65 GLU H 3.000 . 3.300 3.330 3.251 3.461 0.161 8 0 "[ . 1 ]" 2
702 1 64 ASN HB2 1 65 GLU H 3.000 . 3.300 1.932 1.799 2.104 0.001 1 0 "[ . 1 ]" 2
703 1 64 ASN QD 1 65 GLU H 5.000 . 5.300 4.527 3.651 4.799 . 0 0 "[ . 1 ]" 2
704 1 64 ASN HA 1 66 ARG H 5.000 . 5.300 4.201 4.111 4.340 . 0 0 "[ . 1 ]" 2
705 1 64 ASN HB3 1 66 ARG H 5.000 . 5.300 4.315 4.187 4.436 . 0 0 "[ . 1 ]" 2
706 1 64 ASN HB2 1 66 ARG H 5.000 . 5.300 2.943 2.716 3.242 . 0 0 "[ . 1 ]" 2
707 1 64 ASN QD 1 66 ARG HE 5.000 . 5.300 3.677 1.796 5.363 0.063 8 0 "[ . 1 ]" 2
708 1 65 GLU H 1 66 ARG H 3.000 . 3.300 2.830 2.751 2.873 . 0 0 "[ . 1 ]" 2
709 1 65 GLU HA 1 66 ARG H 4.000 . 4.300 3.323 3.269 3.400 . 0 0 "[ . 1 ]" 2
710 1 65 GLU QB 1 66 ARG H 4.000 . 4.300 3.892 3.841 3.929 . 0 0 "[ . 1 ]" 2
711 1 65 GLU QG 1 66 ARG H 5.000 . 5.300 2.930 2.756 3.055 . 0 0 "[ . 1 ]" 2
712 1 65 GLU H 1 67 GLU H 5.000 . 5.300 4.981 4.868 5.129 . 0 0 "[ . 1 ]" 2
713 1 65 GLU H 1 68 ILE MD 5.000 . 5.300 4.244 3.864 4.525 . 0 0 "[ . 1 ]" 2
714 1 65 GLU H 1 68 ILE QG 5.000 . 5.300 5.036 4.476 5.411 0.111 7 0 "[ . 1 ]" 2
715 1 65 GLU HA 1 68 ILE H 4.000 . 4.300 3.065 2.892 3.288 . 0 0 "[ . 1 ]" 2
716 1 65 GLU HA 1 68 ILE HB 3.000 . 3.300 2.381 2.276 2.551 . 0 0 "[ . 1 ]" 2
717 1 65 GLU HA 1 68 ILE MG 4.000 . 4.300 3.770 3.680 3.898 . 0 0 "[ . 1 ]" 2
718 1 65 GLU HA 1 68 ILE MD 5.000 . 5.300 2.310 2.126 2.797 . 0 0 "[ . 1 ]" 2
719 1 65 GLU HA 1 68 ILE QG 4.000 . 4.300 2.671 2.305 3.214 . 0 0 "[ . 1 ]" 2
720 1 65 GLU HA 1 69 GLY H 4.000 . 4.300 4.484 4.397 4.537 0.237 11 0 "[ . 1 ]" 2
721 1 66 ARG HA 1 67 GLU H 4.000 . 4.300 3.554 3.535 3.573 . 0 0 "[ . 1 ]" 2
722 1 66 ARG QB 1 67 GLU H 4.000 . 4.300 2.587 2.469 2.698 . 0 0 "[ . 1 ]" 2
723 1 66 ARG QG 1 67 GLU H 5.000 . 5.300 4.243 3.936 4.508 . 0 0 "[ . 1 ]" 2
724 1 66 ARG H 1 68 ILE H 5.000 . 5.300 4.004 3.621 4.161 . 0 0 "[ . 1 ]" 2
725 1 66 ARG HA 1 68 ILE H 5.000 . 5.300 4.567 3.840 4.905 . 0 0 "[ . 1 ]" 2
726 1 66 ARG HA 1 69 GLY H 4.000 . 4.300 3.943 3.450 4.154 . 0 0 "[ . 1 ]" 2
727 1 67 GLU QB 1 68 ILE MD 5.000 . 5.300 3.368 2.377 4.865 . 0 0 "[ . 1 ]" 2
728 1 67 GLU H 1 68 ILE H 3.000 . 3.300 2.518 2.445 2.601 . 0 0 "[ . 1 ]" 2
729 1 67 GLU H 1 68 ILE HB 5.000 . 5.300 4.617 4.436 4.815 . 0 0 "[ . 1 ]" 2
730 1 67 GLU H 1 70 MET ME 3.000 . 3.300 3.591 3.369 3.889 0.589 11 2 "[ - 1+]" 2
731 1 68 ILE H 1 69 GLY H 3.000 . 3.300 2.802 2.484 2.885 . 0 0 "[ . 1 ]" 2
732 1 68 ILE H 1 69 GLY QA 5.000 . 5.300 4.712 4.432 4.797 . 0 0 "[ . 1 ]" 2
733 1 68 ILE HA 1 69 GLY H 5.000 . 5.300 3.506 3.470 3.541 . 0 0 "[ . 1 ]" 2
734 1 68 ILE HB 1 69 GLY H 3.000 . 3.300 2.991 2.841 3.216 . 0 0 "[ . 1 ]" 2
735 1 68 ILE MG 1 69 GLY H 5.000 . 5.300 3.516 3.247 3.905 . 0 0 "[ . 1 ]" 2
736 1 68 ILE QG 1 69 GLY H 5.000 . 5.300 4.444 4.019 4.789 . 0 0 "[ . 1 ]" 2
737 1 68 ILE HA 1 71 LEU H 5.000 . 5.300 3.553 3.019 4.082 . 0 0 "[ . 1 ]" 2
738 1 68 ILE HA 1 71 LEU MD1 3.000 . 3.300 2.346 2.203 2.863 . 0 0 "[ . 1 ]" 2
739 1 68 ILE QG 1 71 LEU MD1 4.000 . 4.300 3.276 2.579 4.186 . 0 0 "[ . 1 ]" 2
740 1 69 GLY H 1 70 MET H 4.000 . 4.300 2.677 2.305 3.087 . 0 0 "[ . 1 ]" 2
741 1 69 GLY HA3 1 70 MET H 4.000 . 4.300 2.804 2.423 3.088 . 0 0 "[ . 1 ]" 2
742 1 69 GLY HA3 1 71 LEU H 5.000 . 5.300 4.536 4.233 4.781 . 0 0 "[ . 1 ]" 2
743 1 69 GLY HA2 1 71 LEU H 4.000 . 4.300 4.304 4.203 4.355 0.055 10 0 "[ . 1 ]" 2
744 1 69 GLY HA2 1 72 GLU H 5.000 . 5.300 3.411 3.299 3.544 . 0 0 "[ . 1 ]" 2
745 1 69 GLY HA3 1 72 GLU HB3 4.000 . 4.300 4.505 4.435 4.555 0.255 3 0 "[ . 1 ]" 2
746 1 70 MET HA 1 71 LEU H 4.000 . 4.300 3.521 3.505 3.546 . 0 0 "[ . 1 ]" 2
747 1 70 MET HA 1 72 GLU H 5.000 . 5.300 3.780 3.591 3.945 . 0 0 "[ . 1 ]" 2
748 1 70 MET HA 1 73 CYS H 4.000 . 4.300 3.684 3.479 4.022 . 0 0 "[ . 1 ]" 2
749 1 70 MET HA 1 73 CYS HB3 3.000 . 3.300 3.593 3.477 3.735 0.435 2 0 "[ . 1 ]" 2
750 1 71 LEU HA 1 72 GLU H 4.000 . 4.300 3.479 3.452 3.511 . 0 0 "[ . 1 ]" 2
751 1 71 LEU H 1 72 GLU H 3.000 . 3.300 2.574 2.492 2.647 . 0 0 "[ . 1 ]" 2
752 1 71 LEU HA 1 74 VAL MG2 3.000 . 3.300 3.350 2.580 3.677 0.377 7 0 "[ . 1 ]" 2
753 1 71 LEU MD2 1 82 SER HA 5.000 . 5.300 4.032 3.698 4.352 . 0 0 "[ . 1 ]" 2
754 1 71 LEU MD2 1 82 SER QB 4.000 . 4.300 2.082 1.895 2.267 . 0 0 "[ . 1 ]" 2
755 1 71 LEU MD2 1 83 ARG H 5.000 . 5.300 2.831 2.554 3.076 . 0 0 "[ . 1 ]" 2
756 1 72 GLU H 1 73 CYS H 3.000 . 3.300 2.613 2.483 2.842 . 0 0 "[ . 1 ]" 2
757 1 72 GLU HA 1 73 CYS H 4.000 . 4.300 3.178 2.956 3.279 . 0 0 "[ . 1 ]" 2
758 1 72 GLU QB 1 73 CYS H 4.000 . 4.300 3.531 3.368 3.793 . 0 0 "[ . 1 ]" 2
759 1 72 GLU HA 1 78 LEU MD2 3.000 . 3.300 2.921 2.508 3.285 . 0 0 "[ . 1 ]" 2
760 1 73 CYS H 1 74 VAL H 4.000 . 4.300 2.550 2.224 2.719 . 0 0 "[ . 1 ]" 2
761 1 74 VAL HA 1 75 THR H 3.000 . 3.300 2.480 2.395 2.561 . 0 0 "[ . 1 ]" 2
762 1 74 VAL HB 1 75 THR H 4.000 . 4.300 2.406 2.238 2.618 . 0 0 "[ . 1 ]" 2
763 1 74 VAL MG1 1 75 THR H 5.000 . 5.300 3.381 2.323 3.673 . 0 0 "[ . 1 ]" 2
764 1 74 VAL MG2 1 75 THR H 4.000 . 4.300 3.574 3.340 4.016 . 0 0 "[ . 1 ]" 2
765 1 74 VAL HB 1 76 ALA H 4.000 . 4.300 2.438 2.249 2.668 . 0 0 "[ . 1 ]" 2
766 1 74 VAL MG1 1 76 ALA H 5.000 . 5.300 3.964 3.201 4.295 . 0 0 "[ . 1 ]" 2
767 1 74 VAL QG 1 106 TRP HD1 3.000 . 3.300 3.296 2.837 3.499 0.199 9 0 "[ . 1 ]" 2
768 1 74 VAL QG 1 106 TRP HE1 3.000 . 3.300 4.714 4.598 4.804 1.504 7 11 [******+-***] 2
769 1 75 THR H 1 76 ALA H 5.000 2.800 5.300 2.279 2.217 2.335 0.583 4 7 "[ *+* -* **]" 2
770 1 75 THR HA 1 76 ALA H 4.000 . 4.300 3.387 3.294 3.450 . 0 0 "[ . 1 ]" 2
771 1 75 THR HB 1 76 ALA H 5.000 . 5.300 3.478 3.366 3.680 . 0 0 "[ . 1 ]" 2
772 1 75 THR MG 1 76 ALA H 5.000 . 5.300 4.219 4.158 4.280 . 0 0 "[ . 1 ]" 2
773 1 75 THR HB 1 104 ARG QG 5.000 . 5.300 5.173 4.846 5.501 0.201 1 0 "[ . 1 ]" 2
774 1 75 THR HB 1 104 ARG QD 5.000 . 5.300 4.094 3.387 5.195 . 0 0 "[ . 1 ]" 2
775 1 75 THR MG 1 104 ARG QD 5.000 . 5.300 3.644 3.140 4.426 . 0 0 "[ . 1 ]" 2
776 1 75 THR HB 1 104 ARG HA 5.000 . 5.300 5.522 5.366 5.644 0.344 2 0 "[ . 1 ]" 2
777 1 76 ALA HA 1 77 GLU H 3.000 . 3.300 2.487 2.440 2.539 . 0 0 "[ . 1 ]" 2
778 1 76 ALA MB 1 77 GLU H 3.000 . 3.300 2.382 2.313 2.466 . 0 0 "[ . 1 ]" 2
779 1 76 ALA H 1 78 LEU MD1 5.000 . 5.300 4.734 3.180 5.110 . 0 0 "[ . 1 ]" 2
780 1 76 ALA MB 1 102 PRO QB 3.000 . 3.300 3.112 2.632 3.375 0.075 8 0 "[ . 1 ]" 2
781 1 76 ALA MB 1 103 ASP H 5.000 . 5.300 5.007 4.602 5.303 0.003 1 0 "[ . 1 ]" 2
782 1 76 ALA MB 1 104 ARG H 5.000 . 5.300 3.630 3.337 3.906 . 0 0 "[ . 1 ]" 2
783 1 76 ALA MB 1 104 ARG HE 5.000 . 5.300 4.820 2.567 5.572 0.272 3 0 "[ . 1 ]" 2
784 1 76 ALA HA 1 104 ARG QB 3.000 . 3.300 3.280 2.881 3.538 0.238 2 0 "[ . 1 ]" 2
785 1 76 ALA HA 1 104 ARG QD 4.000 . 4.300 3.952 2.884 4.520 0.220 3 0 "[ . 1 ]" 2
786 1 77 GLU QB 1 78 LEU H 4.000 . 4.300 3.928 3.877 3.965 . 0 0 "[ . 1 ]" 2
787 1 78 LEU HA 1 79 LYS H 3.000 . 3.300 2.186 2.063 2.269 . 0 0 "[ . 1 ]" 2
788 1 78 LEU HA 1 79 LYS QB . . 3.300 3.893 3.853 3.983 0.683 1 11 [+********-*] 2
789 1 78 LEU MD1 1 79 LYS H 4.000 . 4.300 3.056 2.880 3.908 . 0 0 "[ . 1 ]" 2
790 1 78 LEU MD2 1 79 LYS H 5.000 . 5.300 3.652 3.390 4.235 . 0 0 "[ . 1 ]" 2
791 1 78 LEU MD2 1 79 LYS QB 5.000 . 5.300 4.972 4.853 5.522 0.222 10 0 "[ . 1 ]" 2
792 1 78 LEU HG 1 79 LYS H 5.000 . 5.300 1.971 1.763 2.994 0.037 5 0 "[ . 1 ]" 2
793 1 78 LEU MD1 1 82 SER HA 5.000 . 5.300 4.382 4.171 5.372 0.072 10 0 "[ . 1 ]" 2
794 1 78 LEU MD2 1 82 SER HA 5.000 . 5.300 5.472 5.370 5.580 0.280 10 0 "[ . 1 ]" 2
795 1 78 LEU HA 1 82 SER QB 4.000 . 4.300 3.774 3.421 4.018 . 0 0 "[ . 1 ]" 2
796 1 78 LEU HA 1 82 SER HG 4.000 . 4.300 2.307 1.771 2.918 0.029 10 0 "[ . 1 ]" 2
797 1 78 LEU MD2 1 82 SER HG 5.000 . 5.300 3.881 3.641 4.238 . 0 0 "[ . 1 ]" 2
798 1 78 LEU HG 1 82 SER HG 4.000 . 4.300 2.364 1.905 2.852 . 0 0 "[ . 1 ]" 2
799 1 78 LEU MD1 1 82 SER HB3 3.000 . 3.300 2.421 2.227 3.413 0.113 10 0 "[ . 1 ]" 2
800 1 78 LEU MD2 1 82 SER HB3 5.000 . 5.300 3.942 3.747 4.130 . 0 0 "[ . 1 ]" 2
801 1 78 LEU HG 1 83 ARG H 5.000 . 5.300 5.680 5.554 5.863 0.563 6 3 "[ - .+ 1*]" 2
802 1 79 LYS HA 1 80 PRO HD3 3.000 . 3.300 2.536 2.497 2.595 . 0 0 "[ . 1 ]" 2
803 1 79 LYS HA 1 80 PRO HD2 3.000 . 3.300 2.331 2.318 2.349 . 0 0 "[ . 1 ]" 2
804 1 79 LYS QB 1 80 PRO QD 3.000 . 3.300 2.363 2.293 2.466 . 0 0 "[ . 1 ]" 2
805 1 79 LYS HG2 1 80 PRO QD 5.000 . 5.300 3.849 3.791 4.149 . 0 0 "[ . 1 ]" 2
806 1 79 LYS QB 1 81 ASN H 3.000 . 3.300 2.287 2.206 2.452 . 0 0 "[ . 1 ]" 2
807 1 79 LYS H 1 82 SER H 3.000 . 3.300 3.373 3.295 3.438 0.138 2 0 "[ . 1 ]" 2
808 1 79 LYS H 1 82 SER HA 5.000 . 5.300 3.856 3.728 4.026 . 0 0 "[ . 1 ]" 2
809 1 79 LYS H 1 82 SER QB 4.000 . 4.300 2.903 2.611 3.092 . 0 0 "[ . 1 ]" 2
810 1 79 LYS H 1 82 SER HG 3.000 . 3.300 1.900 1.599 2.269 0.201 10 0 "[ . 1 ]" 2
811 1 80 PRO HA 1 81 ASN H 4.000 . 4.300 3.448 3.420 3.472 . 0 0 "[ . 1 ]" 2
812 1 80 PRO HB2 1 81 ASN H 3.000 . 3.300 3.459 3.319 3.535 0.235 10 0 "[ . 1 ]" 2
813 1 80 PRO QG 1 81 ASN H 5.000 . 5.300 2.839 2.681 3.112 . 0 0 "[ . 1 ]" 2
814 1 80 PRO QD 1 81 ASN H 4.000 . 4.300 2.859 2.734 3.015 . 0 0 "[ . 1 ]" 2
815 1 80 PRO HA 1 82 SER H 4.000 . 4.300 4.119 3.960 4.377 0.077 10 0 "[ . 1 ]" 2
816 1 80 PRO QD 1 82 SER H 5.000 . 5.300 4.618 4.425 4.989 . 0 0 "[ . 1 ]" 2
817 1 81 ASN H 1 82 SER H 3.000 . 3.300 2.649 2.561 2.797 . 0 0 "[ . 1 ]" 2
818 1 81 ASN HA 1 82 SER H 4.000 . 4.300 3.072 2.937 3.173 . 0 0 "[ . 1 ]" 2
819 1 81 ASN HB3 1 82 SER H 5.000 . 5.300 4.575 4.430 4.717 . 0 0 "[ . 1 ]" 2
820 1 81 ASN HB2 1 82 SER H 5.000 . 5.300 4.658 4.530 4.716 . 0 0 "[ . 1 ]" 2
821 1 81 ASN HD21 1 82 SER HA 5.000 . 5.300 4.979 4.378 5.386 0.086 10 0 "[ . 1 ]" 2
822 1 82 SER H 1 83 ARG H 5.000 . 5.300 4.640 4.614 4.660 . 0 0 "[ . 1 ]" 2
823 1 82 SER HA 1 83 ARG H 3.000 . 3.300 2.435 2.348 2.561 . 0 0 "[ . 1 ]" 2
824 1 82 SER HB3 1 83 ARG H 3.000 . 3.300 2.495 2.273 2.909 . 0 0 "[ . 1 ]" 2
825 1 82 SER HA 1 83 ARG QG 5.000 . 5.300 4.906 4.657 5.147 . 0 0 "[ . 1 ]" 2
826 1 83 ARG HE 1 84 LEU H 5.000 . 5.300 4.496 3.409 5.422 0.122 7 0 "[ . 1 ]" 2
827 1 83 ARG QG 1 88 ILE MD 4.000 . 4.300 3.035 2.237 4.223 . 0 0 "[ . 1 ]" 2
828 1 83 ARG HE 1 88 ILE MD 5.000 . 5.300 3.133 1.742 4.685 0.058 7 0 "[ . 1 ]" 2
829 1 83 ARG QH2 1 88 ILE MD 4.000 . 4.300 3.770 2.171 5.369 1.069 11 3 "[-* . 1+]" 2
830 1 87 GLN HA 1 88 ILE H 3.000 . 3.300 2.906 2.751 3.060 . 0 0 "[ . 1 ]" 2
831 1 87 GLN QB 1 88 ILE H 4.000 . 4.300 3.938 3.838 4.074 . 0 0 "[ . 1 ]" 2
832 1 88 ILE HA 1 89 ILE H 3.000 . 3.300 2.347 2.257 2.442 . 0 0 "[ . 1 ]" 2
833 1 88 ILE HA 1 89 ILE MD 4.000 . 4.300 3.915 3.026 4.435 0.135 8 0 "[ . 1 ]" 2
834 1 89 ILE HA 1 90 MET H 3.000 . 3.300 2.206 2.174 2.234 . 0 0 "[ . 1 ]" 2
835 1 89 ILE MD 1 90 MET H 4.000 . 4.300 3.877 3.549 4.470 0.170 7 0 "[ . 1 ]" 2
836 1 89 ILE MG 1 90 MET HA 5.000 . 5.300 3.903 3.736 4.053 . 0 0 "[ . 1 ]" 2
837 1 89 ILE MG 1 90 MET H 5.000 . 5.300 2.763 2.604 2.864 . 0 0 "[ . 1 ]" 2
838 1 90 MET H 1 91 THR H 4.000 . 4.300 4.612 4.598 4.629 0.329 8 0 "[ . 1 ]" 2
839 1 90 MET HA 1 91 THR H 3.000 . 3.300 2.345 2.264 2.390 . 0 0 "[ . 1 ]" 2
840 1 90 MET QB 1 91 THR H 5.000 . 5.300 3.133 2.849 3.467 . 0 0 "[ . 1 ]" 2
841 1 90 MET QG 1 91 THR H 5.000 . 5.300 2.598 1.794 3.736 0.006 5 0 "[ . 1 ]" 2
842 1 90 MET ME 1 91 THR H 4.000 . 4.300 2.225 1.765 2.748 0.035 1 0 "[ . 1 ]" 2
843 1 90 MET HA 1 94 LEU HB2 4.000 . 4.400 4.366 3.859 4.864 0.464 8 0 "[ . 1 ]" 2
844 1 90 MET ME 1 94 LEU HA 5.000 . 5.400 4.102 3.754 4.237 . 0 0 "[ . 1 ]" 2
845 1 90 MET ME 1 94 LEU H 5.000 . 5.400 3.941 3.667 4.374 . 0 0 "[ . 1 ]" 2
846 1 90 MET ME 1 94 LEU HB2 4.000 . 4.400 2.503 2.070 2.985 . 0 0 "[ . 1 ]" 2
847 1 90 MET ME 1 94 LEU HB3 4.000 . 4.400 2.138 2.005 2.350 . 0 0 "[ . 1 ]" 2
848 1 90 MET ME 1 95 ASP HA 4.000 . 4.400 3.493 2.973 3.994 . 0 0 "[ . 1 ]" 2
849 1 90 MET ME 1 96 GLY H 4.000 . 4.300 4.180 3.588 4.676 0.376 7 0 "[ . 1 ]" 2
850 1 90 MET ME 1 97 ILE H 5.000 . 5.300 3.250 2.696 3.729 . 0 0 "[ . 1 ]" 2
851 1 90 MET ME 1 97 ILE HG13 5.000 . 5.300 3.850 2.443 4.412 . 0 0 "[ . 1 ]" 2
852 1 90 MET ME 1 97 ILE MG 4.000 . 4.300 2.061 1.900 2.470 . 0 0 "[ . 1 ]" 2
853 1 90 MET ME 1 97 ILE MD 5.000 . 5.300 3.064 2.171 4.028 . 0 0 "[ . 1 ]" 2
854 1 91 THR H 1 92 PRO QD 5.000 . 5.300 4.338 4.315 4.390 . 0 0 "[ . 1 ]" 2
855 1 91 THR HA 1 92 PRO HD2 3.000 . 3.300 2.315 2.286 2.447 . 0 0 "[ . 1 ]" 2
856 1 91 THR HA 1 92 PRO HD3 3.000 . 3.300 2.487 2.358 2.533 . 0 0 "[ . 1 ]" 2
857 1 91 THR HA 1 92 PRO HB3 5.000 . 5.300 5.088 4.960 5.161 . 0 0 "[ . 1 ]" 2
858 1 91 THR HB 1 92 PRO HD2 3.000 . 3.300 2.334 2.317 2.401 . 0 0 "[ . 1 ]" 2
859 1 91 THR HB 1 92 PRO QG 5.000 . 5.300 3.808 3.677 4.119 . 0 0 "[ . 1 ]" 2
860 1 91 THR MG 1 92 PRO HD2 4.000 . 4.300 3.372 3.010 3.920 . 0 0 "[ . 1 ]" 2
861 1 91 THR HB 1 93 GLU H 3.000 . 3.300 3.001 2.833 3.496 0.196 10 0 "[ . 1 ]" 2
862 1 91 THR H 1 93 GLU H 5.000 . 5.300 5.108 4.934 5.262 . 0 0 "[ . 1 ]" 2
863 1 91 THR MG 1 93 GLU H 4.000 . 4.300 4.481 4.428 4.545 0.245 7 0 "[ . 1 ]" 2
864 1 91 THR H 1 94 LEU H 5.000 . 5.300 3.786 3.662 3.919 . 0 0 "[ . 1 ]" 2
865 1 91 THR HB 1 94 LEU H 5.000 . 5.300 3.681 3.404 3.986 . 0 0 "[ . 1 ]" 2
866 1 91 THR H 1 94 LEU HB3 4.000 . 4.300 3.956 3.837 4.052 . 0 0 "[ . 1 ]" 2
867 1 91 THR H 1 94 LEU HB2 5.000 . 5.300 2.994 2.560 3.240 . 0 0 "[ . 1 ]" 2
868 1 91 THR H 1 94 LEU MD2 5.000 . 5.300 5.504 5.267 5.626 0.326 4 0 "[ . 1 ]" 2
869 1 92 PRO HA 1 93 GLU H 5.000 . 5.300 3.554 3.539 3.573 . 0 0 "[ . 1 ]" 2
870 1 92 PRO QD 1 93 GLU QG 4.000 . 4.300 3.417 3.112 3.909 . 0 0 "[ . 1 ]" 2
871 1 92 PRO QD 1 93 GLU H 4.000 . 4.300 2.931 2.635 3.039 . 0 0 "[ . 1 ]" 2
872 1 92 PRO QB 1 93 GLU H 5.000 . 5.300 3.136 3.012 3.237 . 0 0 "[ . 1 ]" 2
873 1 92 PRO HA 1 94 LEU H 5.000 . 5.300 4.046 3.929 4.196 . 0 0 "[ . 1 ]" 2
874 1 92 PRO HA 1 95 ASP HB2 5.000 . 5.300 4.594 4.237 4.912 . 0 0 "[ . 1 ]" 2
875 1 93 GLU H 1 94 LEU H 3.000 . 3.200 2.606 2.545 2.659 . 0 0 "[ . 1 ]" 2
876 1 93 GLU HA 1 94 LEU H 4.000 . 4.300 3.503 3.466 3.545 . 0 0 "[ . 1 ]" 2
877 1 93 GLU QB 1 94 LEU H 3.000 . 3.300 3.491 3.408 3.586 0.286 10 0 "[ . 1 ]" 2
878 1 93 GLU QG 1 94 LEU H 5.000 . 5.300 2.159 1.954 2.309 . 0 0 "[ . 1 ]" 2
879 1 93 GLU QG 1 94 LEU MD2 5.000 . 5.300 4.125 3.278 4.765 . 0 0 "[ . 1 ]" 2
880 1 94 LEU HA 1 95 ASP H 4.000 . 4.300 2.968 2.883 3.065 . 0 0 "[ . 1 ]" 2
881 1 94 LEU MD2 1 95 ASP H 5.000 . 5.300 4.488 4.308 4.624 . 0 0 "[ . 1 ]" 2
882 1 95 ASP HA 1 96 GLY H 3.000 . 3.300 2.229 2.191 2.288 . 0 0 "[ . 1 ]" 2
883 1 95 ASP HB2 1 96 GLY H 4.000 . 4.300 3.096 2.922 3.245 . 0 0 "[ . 1 ]" 2
884 1 95 ASP HB3 1 96 GLY H 5.000 . 5.300 4.169 4.031 4.286 . 0 0 "[ . 1 ]" 2
885 1 95 ASP HA 1 97 ILE H 4.000 . 4.300 3.368 3.249 3.465 . 0 0 "[ . 1 ]" 2
886 1 96 GLY H 1 97 ILE H 3.000 . 3.300 2.124 2.006 2.187 . 0 0 "[ . 1 ]" 2
887 1 96 GLY H 1 97 ILE HB 5.000 . 5.300 4.656 4.418 4.895 . 0 0 "[ . 1 ]" 2
888 1 96 GLY H 1 97 ILE MG 5.000 . 5.300 3.125 2.688 3.417 . 0 0 "[ . 1 ]" 2
889 1 96 GLY HA2 1 97 ILE H 4.000 . 4.300 3.196 3.158 3.232 . 0 0 "[ . 1 ]" 2
890 1 96 GLY HA3 1 97 ILE H 4.000 . 4.300 3.377 3.323 3.409 . 0 0 "[ . 1 ]" 2
891 1 97 ILE H 1 98 VAL H 5.000 . 5.300 4.607 4.559 4.634 . 0 0 "[ . 1 ]" 2
892 1 97 ILE HA 1 98 VAL H 3.000 . 3.300 2.179 2.154 2.202 . 0 0 "[ . 1 ]" 2
893 1 97 ILE HB 1 98 VAL H 5.000 . 5.300 4.161 4.010 4.284 . 0 0 "[ . 1 ]" 2
894 1 97 ILE QG 1 98 VAL H 4.000 . 4.300 2.962 2.420 3.658 . 0 0 "[ . 1 ]" 2
895 1 97 ILE MG 1 98 VAL H 5.000 . 5.300 4.061 3.818 4.346 . 0 0 "[ . 1 ]" 2
896 1 97 ILE MD 1 98 VAL H 4.000 . 4.300 3.257 2.081 4.361 0.061 10 0 "[ . 1 ]" 2
897 1 98 VAL HA 1 99 VAL H 3.000 . 3.300 2.262 2.240 2.286 . 0 0 "[ . 1 ]" 2
898 1 98 VAL HA 1 99 VAL MG2 5.000 . 5.300 3.400 3.297 3.490 . 0 0 "[ . 1 ]" 2
899 1 98 VAL HB 1 99 VAL H 5.000 . 5.300 4.216 4.122 4.273 . 0 0 "[ . 1 ]" 2
900 1 98 VAL MG1 1 99 VAL H 4.000 . 4.300 3.012 2.811 3.133 . 0 0 "[ . 1 ]" 2
901 1 98 VAL MG2 1 99 VAL H 5.000 . 5.300 4.346 4.286 4.382 . 0 0 "[ . 1 ]" 2
902 1 99 VAL H 1 100 ASP H 5.000 2.800 5.300 4.464 4.435 4.502 . 0 0 "[ . 1 ]" 2
903 1 99 VAL HA 1 100 ASP H 3.000 . 3.300 2.186 2.178 2.200 . 0 0 "[ . 1 ]" 2
904 1 99 VAL HB 1 100 ASP H 3.000 . 3.300 3.883 3.814 3.913 0.613 5 11 [****+*****-] 2
905 1 99 VAL MG1 1 100 ASP H 4.000 . 4.300 2.646 2.534 2.722 . 0 0 "[ . 1 ]" 2
906 1 100 ASP HA 1 101 VAL H 3.000 . 3.300 2.122 2.108 2.139 . 0 0 "[ . 1 ]" 2
907 1 100 ASP HA 1 101 VAL HB 5.000 . 5.300 4.685 4.631 4.784 . 0 0 "[ . 1 ]" 2
908 1 100 ASP HA 1 101 VAL MG2 4.000 . 4.300 3.482 3.386 3.546 . 0 0 "[ . 1 ]" 2
909 1 100 ASP QB 1 101 VAL H 4.000 . 4.300 3.521 3.448 3.599 . 0 0 "[ . 1 ]" 2
910 1 100 ASP HB2 1 101 VAL H 4.000 . 4.300 4.517 4.480 4.550 0.250 9 0 "[ . 1 ]" 2
911 1 101 VAL H 1 102 PRO QD 5.000 . 5.300 4.289 4.267 4.326 . 0 0 "[ . 1 ]" 2
912 1 101 VAL MG1 1 102 PRO HD2 4.000 . 4.300 2.395 2.254 2.451 . 0 0 "[ . 1 ]" 2
913 1 101 VAL MG2 1 102 PRO HD2 5.000 . 5.300 4.034 3.992 4.131 . 0 0 "[ . 1 ]" 2
914 1 101 VAL MG1 1 102 PRO HD3 5.000 . 5.300 3.508 3.392 3.552 . 0 0 "[ . 1 ]" 2
915 1 101 VAL MG2 1 102 PRO HD3 5.000 . 5.300 4.336 4.302 4.424 . 0 0 "[ . 1 ]" 2
916 1 101 VAL HA 1 102 PRO HD2 3.000 . 3.300 2.350 2.335 2.385 . 0 0 "[ . 1 ]" 2
917 1 101 VAL HA 1 102 PRO HD3 3.000 . 3.300 2.291 2.272 2.304 . 0 0 "[ . 1 ]" 2
918 1 102 PRO HA 1 103 ASP H 4.000 2.800 4.300 2.471 2.369 2.543 0.431 2 0 "[ . 1 ]" 2
919 1 102 PRO QB 1 103 ASP H 4.000 . 4.300 2.359 2.212 2.540 . 0 0 "[ . 1 ]" 2
920 1 102 PRO HA 1 104 ARG H 4.000 . 4.300 4.035 3.940 4.179 . 0 0 "[ . 1 ]" 2
921 1 102 PRO QB 1 104 ARG H 5.000 . 5.300 2.123 2.076 2.198 . 0 0 "[ . 1 ]" 2
922 1 102 PRO QB 1 105 GLN HA 5.000 . 5.300 4.606 4.466 4.762 . 0 0 "[ . 1 ]" 2
923 1 103 ASP H 1 104 ARG H 4.000 . 4.300 2.352 2.286 2.514 . 0 0 "[ . 1 ]" 2
924 1 103 ASP HA 1 104 ARG H 4.000 . 4.300 3.424 3.387 3.473 . 0 0 "[ . 1 ]" 2
925 1 103 ASP QB 1 104 ARG H 4.000 . 4.300 3.177 2.992 3.672 . 0 0 "[ . 1 ]" 2
926 1 103 ASP HA 1 104 ARG HE 5.000 . 5.300 5.421 5.254 5.757 0.457 7 0 "[ . 1 ]" 2
927 1 104 ARG H 1 105 GLN HA 4.000 . 4.300 4.615 4.556 4.676 0.376 8 0 "[ . 1 ]" 2
928 1 104 ARG QG 1 105 GLN H 5.000 . 5.300 4.622 4.461 4.716 . 0 0 "[ . 1 ]" 2
929 1 105 GLN HA 1 106 TRP H 4.000 . 4.300 3.478 3.437 3.504 . 0 0 "[ . 1 ]" 2
930 1 105 GLN HA 1 106 TRP QB 5.000 . 5.300 4.060 3.996 4.151 . 0 0 "[ . 1 ]" 2
931 1 105 GLN H 1 106 TRP H 3.000 . 3.300 2.335 2.232 2.420 . 0 0 "[ . 1 ]" 2
932 1 2 LYS H 1 2 LYS HB3 3.000 . 3.300 3.463 3.405 3.489 0.189 2 0 "[ . 1 ]" 2
933 1 2 LYS H 1 2 LYS HB2 3.000 . 3.300 2.149 2.099 2.192 . 0 0 "[ . 1 ]" 2
934 1 2 LYS H 1 2 LYS QG 4.000 . 4.300 3.113 2.963 3.642 . 0 0 "[ . 1 ]" 2
935 1 2 LYS H 1 2 LYS QD 5.000 . 5.300 4.210 2.293 4.538 . 0 0 "[ . 1 ]" 2
936 1 2 LYS H 1 2 LYS QE 5.000 . 5.300 5.256 4.382 5.573 0.273 4 0 "[ . 1 ]" 2
937 1 3 VAL H 1 3 VAL HB 4.000 . 4.300 2.393 2.336 2.466 . 0 0 "[ . 1 ]" 2
938 1 3 VAL H 1 3 VAL MG1 4.000 . 4.300 3.745 3.696 3.798 . 0 0 "[ . 1 ]" 2
939 1 3 VAL H 1 3 VAL MG2 3.000 . 3.300 2.813 2.581 2.912 . 0 0 "[ . 1 ]" 2
940 1 3 VAL HA 1 3 VAL MG1 3.000 . 3.300 2.523 2.441 2.591 . 0 0 "[ . 1 ]" 2
941 1 3 VAL HA 1 3 VAL MG2 3.000 . 3.300 2.219 2.196 2.269 . 0 0 "[ . 1 ]" 2
942 1 4 VAL H 1 4 VAL HB 3.000 . 3.300 2.551 2.481 2.587 . 0 0 "[ . 1 ]" 2
943 1 4 VAL H 1 4 VAL MG2 3.000 . 3.300 2.413 2.345 2.497 . 0 0 "[ . 1 ]" 2
944 1 4 VAL HA 1 4 VAL MG1 3.000 . 3.300 2.293 2.249 2.377 . 0 0 "[ . 1 ]" 2
945 1 4 VAL HA 1 4 VAL MG2 3.000 . 3.300 2.330 2.282 2.360 . 0 0 "[ . 1 ]" 2
946 1 5 TYR HA 1 5 TYR QD 4.000 . 4.300 2.796 2.523 3.128 . 0 0 "[ . 1 ]" 2
947 1 5 TYR H 1 5 TYR HB2 4.000 . 4.300 2.602 2.495 2.776 . 0 0 "[ . 1 ]" 2
948 1 5 TYR H 1 5 TYR HB3 4.000 . 4.300 3.724 3.693 3.797 . 0 0 "[ . 1 ]" 2
949 1 5 TYR HB2 1 5 TYR QD 3.000 . 3.300 2.386 2.312 2.546 . 0 0 "[ . 1 ]" 2
950 1 5 TYR HB3 1 5 TYR QD 3.000 . 3.300 2.458 2.335 2.596 . 0 0 "[ . 1 ]" 2
951 1 6 VAL H 1 6 VAL HB 3.000 . 3.300 2.465 2.422 2.523 . 0 0 "[ . 1 ]" 2
952 1 6 VAL HA 1 6 VAL MG1 3.000 . 3.300 2.349 2.305 2.381 . 0 0 "[ . 1 ]" 2
953 1 6 VAL HA 1 6 VAL MG2 3.000 . 3.300 2.286 2.252 2.361 . 0 0 "[ . 1 ]" 2
954 1 6 VAL H 1 6 VAL MG2 3.000 . 3.300 2.542 2.436 2.609 . 0 0 "[ . 1 ]" 2
955 1 6 VAL H 1 6 VAL MG1 4.000 . 4.300 3.792 3.771 3.821 . 0 0 "[ . 1 ]" 2
956 1 7 SER H 1 7 SER HB3 3.000 . 3.300 2.643 2.358 2.769 . 0 0 "[ . 1 ]" 2
957 1 8 HIS HA 1 8 HIS HD1 3.000 . 3.300 3.503 3.411 3.574 0.274 1 0 "[ . 1 ]" 2
958 1 8 HIS HB2 1 8 HIS HD2 4.000 . 4.300 2.754 2.749 2.761 . 0 0 "[ . 1 ]" 2
959 1 8 HIS HA 1 8 HIS HD2 5.000 . 5.200 5.053 5.022 5.081 . 0 0 "[ . 1 ]" 2
960 1 9 ASP H 1 9 ASP HB3 3.000 . 3.300 2.738 2.629 2.904 . 0 0 "[ . 1 ]" 2
961 1 9 ASP H 1 9 ASP HB2 4.000 . 4.300 3.586 3.541 3.606 . 0 0 "[ . 1 ]" 2
962 1 10 GLY H 1 10 GLY HA3 3.000 . 3.300 2.969 2.960 2.980 . 0 0 "[ . 1 ]" 2
963 1 10 GLY H 1 10 GLY HA2 3.000 . 3.300 2.400 2.389 2.413 . 0 0 "[ . 1 ]" 2
964 1 11 THR HA 1 11 THR MG 3.000 . 3.300 3.028 2.974 3.180 . 0 0 "[ . 1 ]" 2
965 1 11 THR H 1 11 THR MG 4.000 . 4.300 3.148 2.416 3.329 . 0 0 "[ . 1 ]" 2
966 1 11 THR H 1 11 THR HB 3.000 . 3.300 2.147 2.080 2.445 . 0 0 "[ . 1 ]" 2
967 1 12 ARG H 1 12 ARG QB 3.000 . 3.300 2.674 2.512 2.939 . 0 0 "[ . 1 ]" 2
968 1 13 ARG H 1 13 ARG QB 3.000 . 3.300 2.779 2.664 3.028 . 0 0 "[ . 1 ]" 2
969 1 13 ARG H 1 13 ARG QD 5.000 . 5.300 4.485 2.728 5.033 . 0 0 "[ . 1 ]" 2
970 1 13 ARG H 1 13 ARG QG 4.000 . 4.300 3.666 2.390 4.219 . 0 0 "[ . 1 ]" 2
971 1 13 ARG HA 1 13 ARG QD 4.000 . 4.300 3.782 2.399 4.099 . 0 0 "[ . 1 ]" 2
972 1 14 GLU H 1 14 GLU QG 4.000 . 4.300 2.144 1.817 2.790 . 0 0 "[ . 1 ]" 2
973 1 15 LEU H 1 15 LEU HB3 4.000 . 4.300 3.512 3.151 3.812 . 0 0 "[ . 1 ]" 2
974 1 15 LEU H 1 15 LEU HG 4.000 . 4.300 3.478 2.604 4.515 0.215 3 0 "[ . 1 ]" 2
975 1 15 LEU HA 1 15 LEU HG 4.000 . 4.300 3.435 3.256 3.593 . 0 0 "[ . 1 ]" 2
976 1 15 LEU QB 1 15 LEU MD1 3.000 . 3.300 2.124 2.060 2.197 . 0 0 "[ . 1 ]" 2
977 1 15 LEU H 1 15 LEU MD1 5.000 . 5.300 4.225 4.039 4.418 . 0 0 "[ . 1 ]" 2
978 1 15 LEU QB 1 15 LEU MD2 3.000 . 3.300 2.353 2.321 2.390 . 0 0 "[ . 1 ]" 2
979 1 15 LEU H 1 15 LEU MD2 5.000 . 5.300 3.323 3.225 3.401 . 0 0 "[ . 1 ]" 2
980 1 16 ASP H 1 16 ASP HB3 3.000 . 3.300 2.934 2.755 3.644 0.344 2 0 "[ . 1 ]" 2
981 1 16 ASP H 1 16 ASP HB2 3.000 . 3.300 3.091 2.580 3.222 . 0 0 "[ . 1 ]" 2
982 1 17 VAL H 1 17 VAL HB 3.000 . 3.300 2.634 2.603 2.683 . 0 0 "[ . 1 ]" 2
983 1 17 VAL H 1 17 VAL MG2 3.000 . 3.300 2.298 2.161 2.510 . 0 0 "[ . 1 ]" 2
984 1 17 VAL HA 1 17 VAL MG2 3.000 . 3.300 2.394 2.326 2.458 . 0 0 "[ . 1 ]" 2
985 1 18 ALA H 1 18 ALA MB 3.000 . 3.300 2.246 2.228 2.261 . 0 0 "[ . 1 ]" 2
986 1 19 ASP H 1 19 ASP HB3 4.000 . 4.300 2.715 2.431 2.772 . 0 0 "[ . 1 ]" 2
987 1 19 ASP H 1 19 ASP HB2 3.000 . 3.300 3.557 3.546 3.573 0.273 10 0 "[ . 1 ]" 2
988 1 21 VAL H 1 21 VAL HB 3.000 . 3.300 2.486 2.464 2.511 . 0 0 "[ . 1 ]" 2
989 1 21 VAL H 1 21 VAL QG 3.000 . 3.300 2.141 2.101 2.211 . 0 0 "[ . 1 ]" 2
990 1 21 VAL HA 1 21 VAL QG . . 3.300 2.148 2.125 2.168 . 0 0 "[ . 1 ]" 2
991 1 23 LEU H 1 23 LEU HG 4.000 . 4.300 2.292 1.904 3.683 . 0 0 "[ . 1 ]" 2
992 1 23 LEU H 1 23 LEU MD1 4.000 . 4.300 3.563 3.195 3.946 . 0 0 "[ . 1 ]" 2
993 1 23 LEU HA 1 23 LEU MD1 4.000 . 4.300 3.490 2.207 3.861 . 0 0 "[ . 1 ]" 2
994 1 23 LEU HA 1 23 LEU MD2 4.000 . 4.300 2.134 2.068 2.218 . 0 0 "[ . 1 ]" 2
995 1 26 ALA H 1 26 ALA MB 3.000 . 3.300 2.220 2.159 2.241 . 0 0 "[ . 1 ]" 2
996 1 28 VAL H 1 28 VAL HB 4.000 . 4.300 2.472 2.429 2.521 . 0 0 "[ . 1 ]" 2
997 1 30 ASN H 1 30 ASN HB2 3.000 . 3.300 2.430 2.298 3.122 . 0 0 "[ . 1 ]" 2
998 1 30 ASN H 1 30 ASN HB3 3.000 . 3.300 3.621 3.585 3.668 0.368 6 0 "[ . 1 ]" 2
999 1 30 ASN HA 1 30 ASN HD21 3.000 . 3.300 3.174 2.857 3.407 0.107 1 0 "[ . 1 ]" 2
1000 1 30 ASN HA 1 30 ASN HD22 5.000 . 5.300 3.903 3.708 4.253 . 0 0 "[ . 1 ]" 2
1001 1 31 GLY H 1 31 GLY HA3 3.000 . 3.300 2.874 2.866 2.883 . 0 0 "[ . 1 ]" 2
1002 1 31 GLY H 1 31 GLY HA2 3.000 . 3.300 2.360 2.355 2.364 . 0 0 "[ . 1 ]" 2
1003 1 32 ILE HA 1 32 ILE MD 4.000 . 4.300 3.782 3.690 3.855 . 0 0 "[ . 1 ]" 2
1004 1 32 ILE HA 1 32 ILE MG 3.000 . 3.300 2.433 2.303 2.506 . 0 0 "[ . 1 ]" 2
1005 1 32 ILE H 1 32 ILE HB 3.000 . 3.300 2.566 2.458 2.707 . 0 0 "[ . 1 ]" 2
1006 1 32 ILE H 1 32 ILE QG 4.000 . 4.300 2.814 2.267 3.092 . 0 0 "[ . 1 ]" 2
1007 1 32 ILE H 1 32 ILE MD 5.000 . 5.300 3.970 3.769 4.238 . 0 0 "[ . 1 ]" 2
1008 1 34 ASP H 1 34 ASP HB3 4.000 . 4.300 2.676 2.484 3.166 . 0 0 "[ . 1 ]" 2
1009 1 34 ASP H 1 34 ASP HB2 4.000 . 4.300 3.654 3.620 3.672 . 0 0 "[ . 1 ]" 2
1010 1 49 HIS HA 1 49 HIS HD2 5.000 . 5.300 4.736 4.693 4.791 . 0 0 "[ . 1 ]" 2
1011 1 49 HIS HA 1 49 HIS HE1 5.000 . 5.300 5.069 4.964 5.151 . 0 0 "[ . 1 ]" 2
1012 1 50 VAL H 1 50 VAL MG2 4.000 . 4.300 2.680 2.533 2.768 . 0 0 "[ . 1 ]" 2
1013 1 50 VAL H 1 50 VAL MG1 4.000 . 4.300 2.522 2.419 2.600 . 0 0 "[ . 1 ]" 2
1014 1 51 TYR H 1 51 TYR HB2 3.000 . 3.300 2.453 2.424 2.488 . 0 0 "[ . 1 ]" 2
1015 1 51 TYR H 1 51 TYR HB3 4.000 . 4.300 3.668 3.648 3.691 . 0 0 "[ . 1 ]" 2
1016 1 51 TYR H 1 51 TYR QD 3.000 . 3.300 3.252 3.096 3.343 0.043 2 0 "[ . 1 ]" 2
1017 1 51 TYR HA 1 51 TYR QD 3.000 . 3.300 2.251 2.214 2.308 . 0 0 "[ . 1 ]" 2
1018 1 52 VAL H 1 52 VAL HB 3.000 . 3.300 2.600 2.483 2.712 . 0 0 "[ . 1 ]" 2
1019 1 52 VAL H 1 52 VAL QG 3.000 . 3.300 2.246 2.030 2.444 . 0 0 "[ . 1 ]" 2
1020 1 52 VAL HA 1 52 VAL QG 3.000 . 3.300 2.130 2.093 2.179 . 0 0 "[ . 1 ]" 2
1021 1 53 ASN H 1 53 ASN HB3 3.000 . 3.300 2.531 2.227 3.356 0.056 11 0 "[ . 1 ]" 2
1022 1 53 ASN H 1 53 ASN HB2 3.000 . 3.300 2.848 2.092 3.602 0.302 3 0 "[ . 1 ]" 2
1023 1 54 GLU H 1 54 GLU QG 4.000 . 4.300 2.044 1.898 2.236 . 0 0 "[ . 1 ]" 2
1024 1 56 PHE H 1 56 PHE HB3 4.000 . 4.300 3.646 3.590 3.690 . 0 0 "[ . 1 ]" 2
1025 1 56 PHE H 1 56 PHE HB2 4.000 . 4.200 2.395 2.297 2.476 . 0 0 "[ . 1 ]" 2
1026 1 57 THR H 1 57 THR HB 4.000 . 4.300 3.606 3.592 3.617 . 0 0 "[ . 1 ]" 2
1027 1 57 THR H 1 57 THR MG 3.000 . 3.300 2.441 2.316 2.584 . 0 0 "[ . 1 ]" 2
1028 1 57 THR HA 1 57 THR MG 3.000 . 3.300 2.268 2.188 2.369 . 0 0 "[ . 1 ]" 2
1029 1 59 LYS HA 1 59 LYS QG 3.000 . 3.300 2.577 2.509 2.651 . 0 0 "[ . 1 ]" 2
1030 1 59 LYS HB3 1 59 LYS QE 4.000 . 4.300 2.950 2.125 4.064 . 0 0 "[ . 1 ]" 2
1031 1 59 LYS H 1 59 LYS HB3 4.000 . 4.300 3.784 3.734 3.819 . 0 0 "[ . 1 ]" 2
1032 1 59 LYS H 1 59 LYS HB2 3.000 . 3.300 2.814 2.744 2.869 . 0 0 "[ . 1 ]" 2
1033 1 59 LYS H 1 59 LYS QG 3.000 . 3.300 2.346 2.104 2.553 . 0 0 "[ . 1 ]" 2
1034 1 59 LYS H 1 59 LYS QD 5.000 2.800 5.300 4.219 4.033 4.382 . 0 0 "[ . 1 ]" 2
1035 1 60 VAL H 1 60 VAL HB 3.000 . 3.300 2.126 2.080 2.169 . 0 0 "[ . 1 ]" 2
1036 1 60 VAL H 1 60 VAL QG 3.000 . 3.300 2.816 2.690 2.913 . 0 0 "[ . 1 ]" 2
1037 1 63 ALA H 1 63 ALA MB 3.000 . 3.300 2.123 2.030 2.226 . 0 0 "[ . 1 ]" 2
1038 1 65 GLU H 1 65 GLU QB 3.000 . 3.300 2.516 2.465 2.548 . 0 0 "[ . 1 ]" 2
1039 1 65 GLU H 1 65 GLU QG 4.000 . 4.300 1.939 1.887 2.024 . 0 0 "[ . 1 ]" 2
1040 1 66 ARG H 1 66 ARG HB3 3.000 . 3.300 3.573 3.543 3.620 0.320 1 0 "[ . 1 ]" 2
1041 1 66 ARG H 1 66 ARG HB2 3.000 . 3.300 2.322 2.228 2.507 . 0 0 "[ . 1 ]" 2
1042 1 67 GLU H 1 67 GLU QG 4.000 . 4.300 3.267 1.923 3.991 . 0 0 "[ . 1 ]" 2
1043 1 68 ILE H 1 68 ILE HB 3.000 . 3.300 2.503 2.293 2.763 . 0 0 "[ . 1 ]" 2
1044 1 68 ILE H 1 68 ILE MG . . 4.300 3.775 3.714 3.801 . 0 0 "[ . 1 ]" 2
1045 1 68 ILE H 1 68 ILE MD 5.000 . 5.300 2.405 1.684 3.607 0.116 7 0 "[ . 1 ]" 2
1046 1 68 ILE HA 1 68 ILE MG 3.000 . 3.300 2.468 2.341 2.551 . 0 0 "[ . 1 ]" 2
1047 1 68 ILE H 1 68 ILE QG 4.000 . 4.300 2.815 1.799 3.458 0.001 8 0 "[ . 1 ]" 2
1048 1 69 GLY H 1 69 GLY HA3 3.000 . 3.300 2.376 2.358 2.394 . 0 0 "[ . 1 ]" 2
1049 1 69 GLY H 1 69 GLY HA2 3.000 . 3.300 2.914 2.845 2.957 . 0 0 "[ . 1 ]" 2
1050 1 72 GLU H 1 72 GLU QG 4.000 . 4.300 4.028 3.981 4.102 . 0 0 "[ . 1 ]" 2
1051 1 74 VAL H 1 74 VAL MG2 3.000 . 3.300 1.884 1.750 2.050 . 0 0 "[ . 1 ]" 2
1052 1 75 THR H 1 75 THR MG 4.000 . 4.300 3.859 3.835 3.914 . 0 0 "[ . 1 ]" 2
1053 1 75 THR HA 1 75 THR MG 3.000 . 3.300 2.227 2.215 2.244 . 0 0 "[ . 1 ]" 2
1054 1 76 ALA H 1 76 ALA MB 3.000 . 3.300 2.213 2.172 2.374 . 0 0 "[ . 1 ]" 2
1055 1 77 GLU H 1 77 GLU QB 3.000 . 3.300 1.954 1.935 1.974 . 0 0 "[ . 1 ]" 2
1056 1 77 GLU HA 1 77 GLU QG 3.000 . 3.300 3.086 3.080 3.094 . 0 0 "[ . 1 ]" 2
1057 1 78 LEU HA 1 78 LEU MD1 3.000 . 3.300 2.191 2.130 2.282 . 0 0 "[ . 1 ]" 2
1058 1 78 LEU HA 1 78 LEU MD2 4.000 . 4.300 3.770 3.686 3.799 . 0 0 "[ . 1 ]" 2
1059 1 78 LEU HA 1 78 LEU HG 4.000 . 4.300 2.505 2.304 2.577 . 0 0 "[ . 1 ]" 2
1060 1 78 LEU H 1 78 LEU MD1 5.000 . 5.300 3.708 2.603 4.032 . 0 0 "[ . 1 ]" 2
1061 1 78 LEU QB 1 78 LEU MD1 3.000 . 3.300 2.207 2.129 2.331 . 0 0 "[ . 1 ]" 2
1062 1 78 LEU QB 1 78 LEU MD2 3.000 . 3.300 2.090 2.078 2.100 . 0 0 "[ . 1 ]" 2
1063 1 78 LEU H 1 79 LYS H 5.000 . 5.300 4.582 4.539 4.606 . 0 0 "[ . 1 ]" 2
1064 1 79 LYS HA 1 79 LYS QG 3.000 . 3.300 2.536 2.497 2.727 . 0 0 "[ . 1 ]" 2
1065 1 79 LYS HA 1 79 LYS QE 4.000 . 4.300 4.121 3.970 4.279 . 0 0 "[ . 1 ]" 2
1066 1 81 ASN H 1 81 ASN QD 5.000 . 5.300 2.641 1.892 3.838 . 0 0 "[ . 1 ]" 2
1067 1 81 ASN H 1 81 ASN QB 3.000 . 3.300 2.715 2.523 2.933 . 0 0 "[ . 1 ]" 2
1068 1 82 SER H 1 82 SER QB 3.000 . 3.300 2.306 2.182 2.493 . 0 0 "[ . 1 ]" 2
1069 1 82 SER H 1 82 SER HG 4.000 . 4.300 3.757 3.541 3.891 . 0 0 "[ . 1 ]" 2
1070 1 83 ARG HD3 1 83 ARG HE 3.000 . 3.300 2.739 2.382 2.893 . 0 0 "[ . 1 ]" 2
1071 1 87 GLN H 1 87 GLN QB 3.000 . 3.300 2.433 2.231 2.620 . 0 0 "[ . 1 ]" 2
1072 1 88 ILE H 1 88 ILE QG 4.000 . 4.300 2.901 2.537 3.267 . 0 0 "[ . 1 ]" 2
1073 1 88 ILE H 1 88 ILE MD 5.000 . 5.300 4.054 3.497 4.308 . 0 0 "[ . 1 ]" 2
1074 1 88 ILE HA 1 88 ILE MG 3.000 . 3.300 2.373 2.240 2.551 . 0 0 "[ . 1 ]" 2
1075 1 89 ILE H 1 89 ILE HB 3.000 . 3.300 2.603 2.446 2.697 . 0 0 "[ . 1 ]" 2
1076 1 89 ILE H 1 89 ILE QG 4.000 . 4.300 3.390 2.961 4.149 . 0 0 "[ . 1 ]" 2
1077 1 89 ILE H 1 89 ILE MG 4.000 . 4.300 3.775 3.597 3.865 . 0 0 "[ . 1 ]" 2
1078 1 89 ILE HA 1 89 ILE MG 3.000 . 3.300 2.501 2.373 2.728 . 0 0 "[ . 1 ]" 2
1079 1 89 ILE H 1 89 ILE MD 4.000 . 4.300 3.475 2.648 3.949 . 0 0 "[ . 1 ]" 2
1080 1 89 ILE HA 1 89 ILE MD 3.000 . 3.300 2.274 2.087 2.673 . 0 0 "[ . 1 ]" 2
1081 1 90 MET H 1 90 MET QB 3.000 . 3.300 2.228 2.064 2.340 . 0 0 "[ . 1 ]" 2
1082 1 90 MET HA 1 90 MET ME 4.000 . 4.300 2.354 2.186 2.657 . 0 0 "[ . 1 ]" 2
1083 1 91 THR HA 1 91 THR MG 3.000 . 3.300 2.372 2.260 2.722 . 0 0 "[ . 1 ]" 2
1084 1 91 THR H 1 91 THR MG 4.000 . 4.300 2.997 2.329 3.290 . 0 0 "[ . 1 ]" 2
1085 1 93 GLU H 1 93 GLU QB 3.000 . 3.300 2.700 2.565 2.829 . 0 0 "[ . 1 ]" 2
1086 1 93 GLU H 1 93 GLU QG 4.000 . 4.300 1.838 1.745 2.052 0.055 6 0 "[ . 1 ]" 2
1087 1 93 GLU HA 1 93 GLU QG 3.000 . 3.300 3.298 3.257 3.425 0.125 2 0 "[ . 1 ]" 2
1088 1 94 LEU H 1 94 LEU HB2 4.000 . 4.300 2.323 2.253 2.463 . 0 0 "[ . 1 ]" 2
1089 1 94 LEU H 1 94 LEU HB3 3.000 . 3.300 3.558 3.501 3.670 0.370 6 0 "[ . 1 ]" 2
1090 1 94 LEU HB2 1 94 LEU MD1 3.000 . 3.300 2.302 2.206 2.548 . 0 0 "[ . 1 ]" 2
1091 1 94 LEU HB2 1 94 LEU MD2 3.000 . 3.300 3.216 3.194 3.231 . 0 0 "[ . 1 ]" 2
1092 1 94 LEU H 1 94 LEU HG 4.000 . 4.300 3.284 2.781 3.543 . 0 0 "[ . 1 ]" 2
1093 1 94 LEU HA 1 94 LEU HG 4.000 . 4.300 2.706 2.435 3.300 . 0 0 "[ . 1 ]" 2
1094 1 94 LEU H 1 94 LEU MD1 4.000 . 4.300 3.989 3.887 4.105 . 0 0 "[ . 1 ]" 2
1095 1 94 LEU H 1 94 LEU MD2 4.000 . 4.300 4.034 3.307 4.330 0.030 8 0 "[ . 1 ]" 2
1096 1 94 LEU HA 1 94 LEU MD2 3.000 . 3.300 2.092 1.996 2.162 . 0 0 "[ . 1 ]" 2
1097 1 95 ASP H 1 95 ASP QB 3.000 . 3.300 2.466 2.381 2.592 . 0 0 "[ . 1 ]" 2
1098 1 97 ILE HA 1 97 ILE MD 4.000 . 4.300 3.083 2.193 3.739 . 0 0 "[ . 1 ]" 2
1099 1 97 ILE H 1 97 ILE HB 3.000 . 3.300 2.682 2.456 3.000 . 0 0 "[ . 1 ]" 2
1100 1 97 ILE HB 1 97 ILE MD 3.000 . 3.300 2.512 2.235 3.234 . 0 0 "[ . 1 ]" 2
1101 1 97 ILE H 1 97 ILE MG 3.000 . 3.300 1.899 1.619 2.141 0.181 11 0 "[ . 1 ]" 2
1102 1 97 ILE H 1 97 ILE MD 4.000 . 4.300 4.282 4.218 4.333 0.033 10 0 "[ . 1 ]" 2
1103 1 98 VAL H 1 98 VAL MG2 3.000 . 3.300 2.168 2.073 2.220 . 0 0 "[ . 1 ]" 2
1104 1 98 VAL H 1 98 VAL MG1 5.000 2.800 5.300 3.850 3.837 3.860 . 0 0 "[ . 1 ]" 2
1105 1 98 VAL HA 1 98 VAL MG2 3.000 . 3.300 2.492 2.454 2.533 . 0 0 "[ . 1 ]" 2
1106 1 98 VAL HA 1 98 VAL MG1 3.000 . 3.300 2.244 2.230 2.294 . 0 0 "[ . 1 ]" 2
1107 1 99 VAL H 1 99 VAL MG2 3.000 . 3.300 2.044 1.920 2.132 . 0 0 "[ . 1 ]" 2
1108 1 99 VAL H 1 99 VAL MG1 4.000 . 4.300 3.812 3.793 3.833 . 0 0 "[ . 1 ]" 2
1109 1 99 VAL HA 1 99 VAL MG2 3.000 . 3.300 2.600 2.539 2.722 . 0 0 "[ . 1 ]" 2
1110 1 99 VAL HA 1 99 VAL MG1 3.000 . 3.300 2.218 2.204 2.237 . 0 0 "[ . 1 ]" 2
1111 1 100 ASP H 1 100 ASP QB 3.000 . 3.300 2.264 2.233 2.289 . 0 0 "[ . 1 ]" 2
1112 1 101 VAL H 1 101 VAL HB 3.000 . 3.300 2.620 2.579 2.726 . 0 0 "[ . 1 ]" 2
1113 1 101 VAL H 1 101 VAL MG1 4.000 . 4.300 3.844 3.824 3.882 . 0 0 "[ . 1 ]" 2
1114 1 101 VAL HA 1 101 VAL MG2 3.000 . 3.300 2.402 2.379 2.469 . 0 0 "[ . 1 ]" 2
1115 1 101 VAL HA 1 101 VAL MG1 3.000 . 3.300 2.287 2.229 2.314 . 0 0 "[ . 1 ]" 2
1116 1 104 ARG HA 1 104 ARG QD 4.000 . 4.300 3.484 2.705 4.288 . 0 0 "[ . 1 ]" 2
1117 1 104 ARG HA 1 104 ARG HE 5.000 . 5.300 3.319 1.860 5.323 0.023 7 0 "[ . 1 ]" 2
1118 1 104 ARG QB 1 104 ARG QD 3.000 . 3.300 2.217 2.115 2.470 . 0 0 "[ . 1 ]" 2
1119 1 104 ARG QB 1 104 ARG HE 4.000 . 4.300 3.313 2.050 3.925 . 0 0 "[ . 1 ]" 2
1120 1 104 ARG H 1 104 ARG QD 5.000 . 5.300 4.424 3.994 4.729 . 0 0 "[ . 1 ]" 2
1121 1 45 CYS SG 1 47 THR N 3.400 3.000 4.300 3.118 3.030 3.192 . 0 0 "[ . 1 ]" 2
1122 1 45 CYS SG 1 47 THR H 2.400 . 3.300 2.254 2.180 2.354 . 0 0 "[ . 1 ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 34
_Distance_constraint_stats_list.Viol_count 141
_Distance_constraint_stats_list.Viol_total 158.626
_Distance_constraint_stats_list.Viol_max 0.292
_Distance_constraint_stats_list.Viol_rms 0.0664
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0386
_Distance_constraint_stats_list.Viol_average_violations_only 0.1023
_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 2 LYS 2.396 0.292 6 0 "[ . 1 ]"
1 3 VAL 2.703 0.244 8 0 "[ . 1 ]"
1 4 VAL 3.888 0.281 9 0 "[ . 1 ]"
1 5 TYR 0.059 0.045 7 0 "[ . 1 ]"
1 6 VAL 2.456 0.172 11 0 "[ . 1 ]"
1 13 ARG 0.059 0.045 7 0 "[ . 1 ]"
1 15 LEU 2.703 0.244 8 0 "[ . 1 ]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 21 VAL 0.494 0.082 5 0 "[ . 1 ]"
1 23 LEU 1.640 0.250 11 0 "[ . 1 ]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 27 ALA 0.286 0.102 10 0 "[ . 1 ]"
1 30 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 53 ASN 0.428 0.071 11 0 "[ . 1 ]"
1 56 PHE 0.428 0.071 11 0 "[ . 1 ]"
1 64 ASN 0.312 0.118 2 0 "[ . 1 ]"
1 68 ILE 0.357 0.118 2 0 "[ . 1 ]"
1 71 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 72 GLU 0.045 0.045 5 0 "[ . 1 ]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 88 ILE 1.354 0.250 11 0 "[ . 1 ]"
1 90 MET 0.494 0.082 5 0 "[ . 1 ]"
1 96 GLY 2.396 0.292 6 0 "[ . 1 ]"
1 97 ILE 0.937 0.168 6 0 "[ . 1 ]"
1 99 VAL 2.950 0.281 9 0 "[ . 1 ]"
1 101 VAL 2.456 0.172 11 0 "[ . 1 ]"
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 2 LYS O 1 96 GLY H 2.400 . 3.300 1.972 1.950 2.050 0.050 6 0 "[ . 1 ]" 3
2 1 2 LYS O 1 96 GLY N 3.400 3.000 4.300 2.815 2.708 2.890 0.292 6 0 "[ . 1 ]" 3
3 1 3 VAL H 1 15 LEU O 2.400 . 3.300 2.335 2.241 2.485 . 0 0 "[ . 1 ]" 3
4 1 3 VAL N 1 15 LEU O 3.400 3.000 4.300 3.294 3.218 3.453 . 0 0 "[ . 1 ]" 3
5 1 3 VAL O 1 15 LEU H 2.400 . 3.300 1.921 1.797 2.034 0.203 8 0 "[ . 1 ]" 3
6 1 3 VAL O 1 15 LEU N 3.400 3.000 4.300 2.836 2.756 2.921 0.244 8 0 "[ . 1 ]" 3
7 1 4 VAL H 1 97 ILE O 2.400 . 3.300 2.011 1.871 2.222 0.129 6 0 "[ . 1 ]" 3
8 1 4 VAL N 1 97 ILE O 3.400 3.000 4.300 2.957 2.832 3.136 0.168 6 0 "[ . 1 ]" 3
9 1 4 VAL O 1 99 VAL H 2.400 . 3.300 1.919 1.743 2.214 0.257 9 0 "[ . 1 ]" 3
10 1 4 VAL O 1 99 VAL N 3.400 3.000 4.300 2.852 2.719 3.075 0.281 9 0 "[ . 1 ]" 3
11 1 5 TYR O 1 13 ARG H 2.400 . 3.300 2.531 2.118 2.681 . 0 0 "[ . 1 ]" 3
12 1 5 TYR O 1 13 ARG N 3.400 3.000 4.300 3.180 2.955 3.370 0.045 7 0 "[ . 1 ]" 3
13 1 6 VAL O 1 101 VAL H 2.400 . 3.300 1.906 1.851 1.977 0.149 11 0 "[ . 1 ]" 3
14 1 6 VAL O 1 101 VAL N 3.400 3.000 4.300 2.870 2.828 2.925 0.172 11 0 "[ . 1 ]" 3
15 1 18 ALA O 1 21 VAL H 2.400 . 3.300 2.361 2.286 2.474 . 0 0 "[ . 1 ]" 3
16 1 18 ALA O 1 21 VAL N 3.400 3.000 4.300 3.280 3.207 3.397 . 0 0 "[ . 1 ]" 3
17 1 21 VAL O 1 90 MET H 2.400 . 3.300 2.028 1.939 2.291 0.061 5 0 "[ . 1 ]" 3
18 1 21 VAL O 1 90 MET N 3.400 3.000 4.300 3.002 2.918 3.240 0.082 5 0 "[ . 1 ]" 3
19 1 23 LEU O 1 27 ALA H 2.400 . 3.300 2.203 2.036 2.646 . 0 0 "[ . 1 ]" 3
20 1 23 LEU O 1 27 ALA N 3.400 3.000 4.300 3.042 2.898 3.421 0.102 10 0 "[ . 1 ]" 3
21 1 23 LEU H 1 88 ILE O 2.400 . 3.300 3.365 2.778 3.550 0.250 11 0 "[ . 1 ]" 3
22 1 23 LEU N 1 88 ILE O 3.400 3.000 4.300 4.072 3.583 4.204 . 0 0 "[ . 1 ]" 3
23 1 26 ALA O 1 30 ASN H 2.400 . 3.300 2.372 2.275 2.545 . 0 0 "[ . 1 ]" 3
24 1 26 ALA O 1 30 ASN N 3.400 3.000 4.300 3.225 3.140 3.357 . 0 0 "[ . 1 ]" 3
25 1 50 VAL H 1 83 ARG O 2.400 . 3.300 2.587 2.369 2.881 . 0 0 "[ . 1 ]" 3
26 1 50 VAL N 1 83 ARG O 3.400 3.000 4.300 3.546 3.327 3.815 . 0 0 "[ . 1 ]" 3
27 1 53 ASN O 1 56 PHE H 2.400 . 3.300 2.006 1.958 2.048 0.042 11 0 "[ . 1 ]" 3
28 1 53 ASN O 1 56 PHE N 3.400 3.000 4.300 2.970 2.929 3.011 0.071 11 0 "[ . 1 ]" 3
29 1 64 ASN O 1 68 ILE H 2.400 . 3.300 3.151 2.854 3.418 0.118 2 0 "[ . 1 ]" 3
30 1 64 ASN O 1 68 ILE N 3.400 3.000 4.300 4.101 3.826 4.396 0.096 2 0 "[ . 1 ]" 3
31 1 68 ILE O 1 72 GLU H 2.400 . 3.300 2.618 2.181 2.956 . 0 0 "[ . 1 ]" 3
32 1 68 ILE O 1 72 GLU N 3.400 3.000 4.300 3.289 2.955 3.615 0.045 5 0 "[ . 1 ]" 3
33 1 71 LEU O 1 74 VAL H 2.400 . 3.300 2.872 2.725 3.221 . 0 0 "[ . 1 ]" 3
34 1 71 LEU O 1 74 VAL N 3.400 3.000 4.300 3.670 3.437 4.001 . 0 0 "[ . 1 ]" 3
stop_
save_
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