NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
503137 |
2l9s   |
17485 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l9s
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 1859
_Distance_constraint_stats_list.Viol_count 1587
_Distance_constraint_stats_list.Viol_total 3251.885
_Distance_constraint_stats_list.Viol_max 0.864
_Distance_constraint_stats_list.Viol_rms 0.0343
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.1025
_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 2 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ALA 0.051 0.051 13 0 "[ . 1 . 2]"
1 4 ASP 0.051 0.051 13 0 "[ . 1 . 2]"
1 5 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 VAL 0.454 0.152 19 0 "[ . 1 . 2]"
1 7 GLN 1.209 0.152 19 0 "[ . 1 . 2]"
1 8 PRO 4.274 0.502 3 1 "[ + . 1 . 2]"
1 9 GLN 8.104 0.502 3 1 "[ + . 1 . 2]"
1 10 LEU 11.740 0.608 19 2 "[ . 1 -. +2]"
1 11 ARG 10.461 0.658 7 7 "[ ** . +* 1 -. **2]"
1 12 ARG 1.966 0.211 16 0 "[ . 1 . 2]"
1 13 PRO 0.951 0.130 11 0 "[ . 1 . 2]"
1 14 PHE 0.554 0.121 12 0 "[ . 1 . 2]"
1 15 GLU 0.641 0.128 7 0 "[ . 1 . 2]"
1 16 LEU 0.116 0.025 20 0 "[ . 1 . 2]"
1 17 LEU 2.175 0.149 3 0 "[ . 1 . 2]"
1 18 ILE 0.708 0.121 12 0 "[ . 1 . 2]"
1 19 ALA 0.006 0.005 15 0 "[ . 1 . 2]"
1 20 ALA 0.057 0.057 14 0 "[ . 1 . 2]"
1 21 ALA 1.019 0.142 7 0 "[ . 1 . 2]"
1 22 MET 4.444 0.322 8 0 "[ . 1 . 2]"
1 23 GLU 3.752 0.322 8 0 "[ . 1 . 2]"
1 24 ARG 0.845 0.130 9 0 "[ . 1 . 2]"
1 25 ASN 0.661 0.268 9 0 "[ . 1 . 2]"
1 26 PRO 1.377 0.187 4 0 "[ . 1 . 2]"
1 27 THR 2.494 0.214 5 0 "[ . 1 . 2]"
1 28 GLN 0.579 0.214 5 0 "[ . 1 . 2]"
1 29 PHE 1.464 0.741 4 1 "[ +. 1 . 2]"
1 30 GLN 6.510 0.653 15 4 "[ . 1 * + *- 2]"
1 31 LEU 8.558 0.741 4 3 "[ +. * -1 . 2]"
1 32 PRO 4.541 0.574 7 1 "[ . + 1 . 2]"
1 33 ASN 1.179 0.389 9 0 "[ . 1 . 2]"
1 34 GLU 1.763 0.305 19 0 "[ . 1 . 2]"
1 35 LEU 4.189 0.433 13 0 "[ . 1 . 2]"
1 36 THR 1.492 0.220 10 0 "[ . 1 . 2]"
1 37 CYS 2.134 0.266 17 0 "[ . 1 . 2]"
1 38 THR 2.547 0.266 17 0 "[ . 1 . 2]"
1 39 THR 0.640 0.220 10 0 "[ . 1 . 2]"
1 40 ALA 0.201 0.069 10 0 "[ . 1 . 2]"
1 41 LEU 3.854 0.501 11 1 "[ . 1+ . 2]"
1 42 PRO 2.194 0.324 3 0 "[ . 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 ASN 0.339 0.210 5 0 "[ . 1 . 2]"
2 3 ALA 0.456 0.210 5 0 "[ . 1 . 2]"
2 4 SER 0.198 0.086 10 0 "[ . 1 . 2]"
2 5 LEU 6.881 0.422 18 0 "[ . 1 . 2]"
2 6 GLN 0.029 0.029 2 0 "[ . 1 . 2]"
2 7 ASN 0.618 0.261 16 0 "[ . 1 . 2]"
2 8 ASN 0.618 0.261 16 0 "[ . 1 . 2]"
2 9 GLN 3.296 0.674 15 3 "[ .- 1 + *]"
2 10 PRO 0.820 0.262 6 0 "[ . 1 . 2]"
2 11 VAL 2.643 0.262 6 0 "[ . 1 . 2]"
2 12 GLU 2.387 0.224 1 0 "[ . 1 . 2]"
2 13 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 ASN 3.343 0.704 10 2 "[ . + - 2]"
2 15 HIS 0.037 0.031 13 0 "[ . 1 . 2]"
2 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 ILE 3.337 0.704 10 2 "[ . + - 2]"
2 18 ASN 0.673 0.187 19 0 "[ . 1 . 2]"
2 19 TYR 1.341 0.150 20 0 "[ . 1 . 2]"
2 20 VAL 0.557 0.305 10 0 "[ . 1 . 2]"
2 21 ASN 2.977 0.521 6 1 "[ .+ 1 . 2]"
2 22 LYS 8.622 0.660 18 2 "[ . 1 . +-2]"
2 23 ILE 5.263 0.338 13 0 "[ . 1 . 2]"
2 24 LYS 5.698 0.484 14 0 "[ . 1 . 2]"
2 25 ASN 1.892 0.660 18 2 "[ . 1 . +-2]"
2 26 ARG 2.889 0.484 14 0 "[ . 1 . 2]"
2 27 PHE 1.364 0.455 18 0 "[ . 1 . 2]"
2 28 GLN 4.509 0.432 7 0 "[ . 1 . 2]"
2 29 GLY 1.810 0.432 7 0 "[ . 1 . 2]"
2 30 GLN 2.876 0.455 18 0 "[ . 1 . 2]"
2 31 PRO 0.001 0.001 18 0 "[ . 1 . 2]"
2 32 ASP 1.076 0.308 13 0 "[ . 1 . 2]"
2 33 ILE 4.114 0.619 4 1 "[ +. 1 . 2]"
2 34 TYR 3.409 0.348 7 0 "[ . 1 . 2]"
2 35 LYS 3.617 0.348 7 0 "[ . 1 . 2]"
2 36 ALA 0.632 0.269 10 0 "[ . 1 . 2]"
2 37 PHE 3.234 0.697 19 1 "[ . 1 . +2]"
2 38 LEU 2.238 0.348 7 0 "[ . 1 . 2]"
2 39 GLU 0.111 0.061 1 0 "[ . 1 . 2]"
2 40 ILE 2.568 0.269 10 0 "[ . 1 . 2]"
2 41 LEU 0.707 0.150 20 0 "[ . 1 . 2]"
2 42 HIS 0.047 0.047 18 0 "[ . 1 . 2]"
2 43 THR 0.352 0.063 6 0 "[ . 1 . 2]"
2 44 TYR 1.161 0.112 14 0 "[ . 1 . 2]"
2 45 GLN 0.544 0.318 5 0 "[ . 1 . 2]"
2 46 LYS 1.857 0.198 7 0 "[ . 1 . 2]"
2 47 GLU 2.631 0.230 12 0 "[ . 1 . 2]"
2 48 GLN 2.646 0.318 5 0 "[ . 1 . 2]"
2 49 ARG 0.536 0.192 1 0 "[ . 1 . 2]"
2 50 ASN 1.383 0.526 9 1 "[ . +1 . 2]"
2 51 ALA 2.315 0.170 10 0 "[ . 1 . 2]"
2 52 LYS 1.684 0.192 1 0 "[ . 1 . 2]"
2 53 GLU 4.129 0.526 9 1 "[ . +1 . 2]"
2 54 ALA 1.594 0.387 11 0 "[ . 1 . 2]"
2 55 GLY 0.308 0.155 10 0 "[ . 1 . 2]"
2 56 GLY 2.054 0.256 6 0 "[ . 1 . 2]"
2 57 ASN 2.076 0.198 7 0 "[ . 1 . 2]"
2 58 TYR 3.396 0.256 6 0 "[ . 1 . 2]"
2 59 THR 0.539 0.119 4 0 "[ . 1 . 2]"
2 60 PRO 0.899 0.232 6 0 "[ . 1 . 2]"
2 61 ALA 0.377 0.099 2 0 "[ . 1 . 2]"
2 62 LEU 11.965 0.864 20 10 "[* **. * **- *.* +]"
2 63 THR 0.933 0.120 13 0 "[ . 1 . 2]"
2 64 GLU 2.538 0.456 9 0 "[ . 1 . 2]"
2 65 GLN 0.765 0.120 13 0 "[ . 1 . 2]"
2 66 GLU 9.053 0.864 20 9 "[* **. * **- *. +]"
2 67 VAL 4.124 0.617 16 1 "[ . 1 .+ 2]"
2 68 TYR 5.588 0.348 7 0 "[ . 1 . 2]"
2 69 ALA 0.041 0.035 17 0 "[ . 1 . 2]"
2 70 GLN 1.377 0.735 16 1 "[ . 1 .+ 2]"
2 71 VAL 5.412 0.217 2 0 "[ . 1 . 2]"
2 72 ALA 2.029 0.176 18 0 "[ . 1 . 2]"
2 73 ARG 0.763 0.256 17 0 "[ . 1 . 2]"
2 74 LEU 4.489 0.697 19 2 "[ -. 1 . +2]"
2 75 PHE 2.778 0.330 8 0 "[ . 1 . 2]"
2 76 LYS 4.908 0.703 5 5 "[ * + 1 ** . -2]"
2 77 ASN 0.133 0.133 20 0 "[ . 1 . 2]"
2 78 GLN 1.205 0.421 1 0 "[ . 1 . 2]"
2 79 GLU 3.688 0.859 13 4 "[ * -. 1 + * 2]"
2 80 ASP 1.854 0.735 16 1 "[ . 1 .+ 2]"
2 81 LEU 6.143 0.421 1 0 "[ . 1 . 2]"
2 82 LEU 10.428 0.859 13 5 "[ * -. 1 + ** 2]"
2 83 SER 0.136 0.103 5 0 "[ . 1 . 2]"
2 84 GLU 0.228 0.098 8 0 "[ . 1 . 2]"
2 85 PHE 3.833 0.165 1 0 "[ . 1 . 2]"
2 86 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 87 GLN 5.421 0.554 2 2 "[ + . - 1 . 2]"
2 88 PHE 1.588 0.106 16 0 "[ . 1 . 2]"
2 89 LEU 3.972 0.456 9 0 "[ . 1 . 2]"
2 90 PRO 3.788 0.310 14 0 "[ . 1 . 2]"
2 91 ASP 0.696 0.162 19 0 "[ . 1 . 2]"
2 92 ALA 0.144 0.041 4 0 "[ . 1 . 2]"
2 93 ASN 0.384 0.139 17 0 "[ . 1 . 2]"
2 94 SER 0.016 0.016 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 30 GLN HG3 2 31 PRO HD2 4.100 . 6.000 3.717 3.074 3.849 . 0 0 "[ . 1 . 2]" 1
2 2 10 PRO HB3 2 11 VAL QG 4.000 . 6.000 3.579 2.098 4.564 . 0 0 "[ . 1 . 2]" 1
3 2 68 TYR HA 2 71 VAL QG 3.800 . 5.600 2.285 1.876 2.964 0.124 4 0 "[ . 1 . 2]" 1
4 2 40 ILE MG 2 71 VAL QG 3.400 . 4.800 2.070 1.783 2.568 0.217 2 0 "[ . 1 . 2]" 1
5 2 37 PHE QD 2 71 VAL QG 3.100 . 4.300 2.114 1.887 2.271 0.113 20 0 "[ . 1 . 2]" 1
6 2 22 LYS HE3 2 81 LEU MD1 3.800 . 5.600 3.939 2.404 4.692 . 0 0 "[ . 1 . 2]" 1
7 2 22 LYS QD 2 81 LEU MD1 2.900 . 3.900 2.560 1.980 2.845 . 0 0 "[ . 1 . 2]" 1
8 2 22 LYS HG2 2 81 LEU MD1 2.400 . 3.100 2.297 2.072 2.593 . 0 0 "[ . 1 . 2]" 1
9 2 41 LEU QD 2 85 PHE QE 3.000 . 6.000 3.917 3.121 4.955 . 0 0 "[ . 1 . 2]" 1
10 2 19 TYR QD 2 81 LEU MD1 3.200 . 4.500 2.586 2.228 3.107 . 0 0 "[ . 1 . 2]" 1
11 2 41 LEU QD 2 67 VAL MG1 2.100 . 6.000 2.414 2.026 2.947 . 0 0 "[ . 1 . 2]" 1
12 2 3 ALA HA 2 3 ALA MB 2.200 . 2.800 1.898 1.894 1.900 . 0 0 "[ . 1 . 2]" 1
13 2 7 ASN HA 2 7 ASN HB3 2.400 . 3.100 2.240 2.058 2.523 . 0 0 "[ . 1 . 2]" 1
14 2 17 ILE HA 2 20 VAL QG 2.800 . 3.800 2.091 1.967 2.115 . 0 0 "[ . 1 . 2]" 1
15 2 14 ASN HB2 2 20 VAL QG 3.300 . 6.000 3.292 2.068 4.453 . 0 0 "[ . 1 . 2]" 1
16 2 17 ILE HB 2 20 VAL QG 4.000 . 6.000 3.559 3.243 3.909 . 0 0 "[ . 1 . 2]" 1
17 2 19 TYR QE 2 20 VAL QG 3.100 . 4.300 2.666 2.041 3.126 . 0 0 "[ . 1 . 2]" 1
18 2 37 PHE HB3 2 71 VAL QG 4.700 . 6.000 3.306 2.878 3.590 . 0 0 "[ . 1 . 2]" 1
19 2 40 ILE MG 2 71 VAL QG 2.500 . 3.300 2.174 1.870 2.772 . 0 0 "[ . 1 . 2]" 1
20 2 40 ILE MD 2 71 VAL QG 2.600 . 3.400 2.569 1.908 3.258 . 0 0 "[ . 1 . 2]" 1
21 2 7 ASN HA 2 7 ASN HB3 2.300 . 2.900 2.199 2.053 2.365 . 0 0 "[ . 1 . 2]" 1
22 2 69 ALA HA 2 82 LEU QD 3.800 . 5.600 3.985 2.476 4.673 . 0 0 "[ . 1 . 2]" 1
23 2 37 PHE HB3 2 82 LEU QD 2.700 . 3.600 2.672 1.916 3.386 . 0 0 "[ . 1 . 2]" 1
24 2 40 ILE HB 2 71 VAL QG 4.300 . 6.000 3.977 3.347 4.459 . 0 0 "[ . 1 . 2]" 1
25 2 71 VAL QG 2 82 LEU HB3 4.700 . 6.000 5.088 4.368 6.098 0.098 8 0 "[ . 1 . 2]" 1
26 2 44 TYR HB3 2 67 VAL MG2 4.300 . 6.000 3.546 3.002 4.021 . 0 0 "[ . 1 . 2]" 1
27 2 44 TYR HB2 2 67 VAL MG2 3.700 . 5.400 2.485 2.015 2.976 . 0 0 "[ . 1 . 2]" 1
28 2 3 ALA MB 2 5 LEU QD 3.400 . 4.800 3.453 2.141 4.461 . 0 0 "[ . 1 . 2]" 1
29 2 41 LEU QD 2 67 VAL MG2 3.500 . 5.000 3.811 3.359 4.387 . 0 0 "[ . 1 . 2]" 1
30 2 68 TYR QE 2 82 LEU QD 3.600 . 5.200 2.771 2.206 3.471 . 0 0 "[ . 1 . 2]" 1
31 2 44 TYR QD 2 67 VAL MG2 3.400 . 4.800 2.575 1.990 3.134 0.010 8 0 "[ . 1 . 2]" 1
32 2 19 TYR QE 2 20 VAL QG 3.900 . 5.800 3.993 3.607 4.242 . 0 0 "[ . 1 . 2]" 1
33 2 9 GLN HA 2 9 GLN QG 3.100 . 4.300 2.404 2.069 2.718 . 0 0 "[ . 1 . 2]" 1
34 2 9 GLN HA 2 10 PRO QG 3.800 . 5.600 3.113 2.400 3.501 . 0 0 "[ . 1 . 2]" 1
35 2 71 VAL HA 2 72 ALA HA 4.100 . 6.000 3.392 2.887 3.809 . 0 0 "[ . 1 . 2]" 1
36 2 69 ALA HA 2 72 ALA HA 4.000 . 6.000 4.479 4.327 4.556 . 0 0 "[ . 1 . 2]" 1
37 2 18 ASN HA 2 18 ASN QB 2.200 . 2.800 2.220 2.077 2.362 . 0 0 "[ . 1 . 2]" 1
38 2 18 ASN HA 2 21 ASN HB3 2.200 . 2.800 2.396 2.016 2.987 0.187 19 0 "[ . 1 . 2]" 1
39 2 32 ASP HA 2 32 ASP HB3 2.500 . 3.300 2.352 2.151 2.696 . 0 0 "[ . 1 . 2]" 1
40 2 32 ASP HA 2 35 LYS QD 2.900 . 4.000 3.440 1.959 4.026 0.026 18 0 "[ . 1 . 2]" 1
41 2 38 LEU HA 2 38 LEU HB3 3.500 . 5.000 2.764 2.393 2.983 . 0 0 "[ . 1 . 2]" 1
42 2 51 ALA MB 2 52 LYS HA 3.200 . 4.500 2.894 2.339 3.443 . 0 0 "[ . 1 . 2]" 1
43 2 11 VAL QG 2 12 GLU HA 3.200 . 4.400 1.980 1.791 2.668 0.209 12 0 "[ . 1 . 2]" 1
44 2 51 ALA MB 2 58 TYR HA 5.300 . 6.000 3.946 3.376 5.050 . 0 0 "[ . 1 . 2]" 1
45 2 87 GLN HA 2 87 GLN HG3 3.100 . 4.300 3.015 2.311 3.623 . 0 0 "[ . 1 . 2]" 1
46 2 31 PRO HB2 2 32 ASP HA 3.700 . 5.400 3.609 3.005 3.978 . 0 0 "[ . 1 . 2]" 1
47 2 19 TYR QE 2 84 GLU HA 5.100 . 6.000 3.012 1.776 4.664 0.024 5 0 "[ . 1 . 2]" 1
48 2 39 GLU HA 2 42 HIS HB3 2.400 . 3.100 2.197 1.890 2.581 . 0 0 "[ . 1 . 2]" 1
49 2 39 GLU HA 2 42 HIS HB2 3.100 . 4.300 2.860 1.853 3.301 0.047 18 0 "[ . 1 . 2]" 1
50 2 47 GLU HA 2 47 GLU HG2 2.400 . 3.100 2.336 2.065 2.643 . 0 0 "[ . 1 . 2]" 1
51 2 28 GLN HA 2 28 GLN HB2 1.900 . 2.400 2.036 2.017 2.089 . 0 0 "[ . 1 . 2]" 1
52 2 28 GLN HA 2 28 GLN QG 2.400 . 3.100 2.520 2.314 2.899 . 0 0 "[ . 1 . 2]" 1
53 2 45 GLN HA 2 48 GLN HB3 2.300 . 3.000 2.495 2.187 2.819 . 0 0 "[ . 1 . 2]" 1
54 2 45 GLN HA 2 45 GLN HG2 2.500 . 3.300 2.531 2.148 2.908 . 0 0 "[ . 1 . 2]" 1
55 2 44 TYR HB3 2 45 GLN HA 4.100 . 6.000 3.290 2.308 4.084 . 0 0 "[ . 1 . 2]" 1
56 2 49 ARG HA 2 49 ARG QB 1.900 . 2.300 1.998 1.916 2.086 . 0 0 "[ . 1 . 2]" 1
57 2 49 ARG HA 2 49 ARG HG2 2.700 . 3.600 2.662 2.153 3.338 . 0 0 "[ . 1 . 2]" 1
58 2 65 GLN HA 2 67 VAL MG2 3.900 . 5.800 4.073 2.477 4.777 . 0 0 "[ . 1 . 2]" 1
59 2 28 GLN HA 2 28 GLN HB2 1.700 . 2.200 2.193 2.152 2.226 0.026 16 0 "[ . 1 . 2]" 1
60 2 28 GLN HA 2 28 GLN HB2 2.100 . 2.700 2.025 1.937 2.112 . 0 0 "[ . 1 . 2]" 1
61 2 64 GLU HA 2 64 GLU HG3 2.700 . 3.600 2.441 2.228 2.966 . 0 0 "[ . 1 . 2]" 1
62 2 79 GLU HA 2 81 LEU QB 3.800 . 5.600 3.458 2.143 4.285 . 0 0 "[ . 1 . 2]" 1
63 2 23 ILE MG 2 34 TYR HA 3.800 . 5.600 3.325 2.749 3.767 . 0 0 "[ . 1 . 2]" 1
64 2 34 TYR HA 2 37 PHE QD 3.900 . 5.800 3.485 3.217 3.776 . 0 0 "[ . 1 . 2]" 1
65 2 37 PHE HA 2 40 ILE MG 3.800 . 5.600 3.529 2.499 4.031 . 0 0 "[ . 1 . 2]" 1
66 2 33 ILE HA 2 33 ILE HB 2.600 . 3.500 2.479 2.318 2.712 . 0 0 "[ . 1 . 2]" 1
67 2 33 ILE HA 2 33 ILE MD 3.100 . 4.300 2.486 1.877 3.246 0.023 9 0 "[ . 1 . 2]" 1
68 2 22 LYS HG3 2 23 ILE HA 3.900 . 5.800 2.868 2.375 4.248 . 0 0 "[ . 1 . 2]" 1
69 2 22 LYS HG2 2 23 ILE HA 3.100 . 4.300 3.072 2.752 3.580 . 0 0 "[ . 1 . 2]" 1
70 2 23 ILE HA 2 26 ARG QG 3.600 . 5.200 2.429 2.098 2.914 . 0 0 "[ . 1 . 2]" 1
71 2 64 GLU HG2 2 67 VAL HA 3.700 . 5.400 5.052 4.038 5.603 0.203 20 0 "[ . 1 . 2]" 1
72 2 40 ILE MG 2 67 VAL HA 2.600 . 3.400 2.311 2.155 2.440 . 0 0 "[ . 1 . 2]" 1
73 2 40 ILE HA 2 43 THR HB 3.700 . 5.400 2.614 2.393 2.787 . 0 0 "[ . 1 . 2]" 1
74 2 42 HIS HB2 2 43 THR HB 4.800 . 6.000 4.250 4.106 4.375 . 0 0 "[ . 1 . 2]" 1
75 2 65 GLN HA 2 89 LEU QD 4.700 . 6.000 3.549 2.978 4.224 . 0 0 "[ . 1 . 2]" 1
76 2 68 TYR HB2 2 89 LEU QD 2.800 . 3.800 2.383 1.879 2.855 . 0 0 "[ . 1 . 2]" 1
77 2 64 GLU HG3 2 89 LEU QD 3.000 . 4.100 3.254 2.333 4.014 . 0 0 "[ . 1 . 2]" 1
78 2 22 LYS HB3 2 26 ARG QG 3.800 . 5.600 3.248 1.990 4.557 0.010 5 0 "[ . 1 . 2]" 1
79 2 26 ARG QG 2 78 GLN HB2 3.400 . 4.800 2.944 1.885 4.065 0.115 2 0 "[ . 1 . 2]" 1
80 2 37 PHE QD 2 74 LEU MD1 3.200 . 4.500 3.861 2.699 4.830 0.330 8 0 "[ . 1 . 2]" 1
81 2 36 ALA MB 2 74 LEU MD1 2.300 . 3.000 2.319 1.902 2.866 . 0 0 "[ . 1 . 2]" 1
82 2 24 LYS HB3 2 24 LYS HG3 2.300 . 3.000 2.068 2.008 2.089 . 0 0 "[ . 1 . 2]" 1
83 2 20 VAL HA 2 24 LYS HG3 4.600 . 6.000 4.519 3.631 6.053 0.053 19 0 "[ . 1 . 2]" 1
84 2 43 THR HB 2 62 LEU MD1 3.600 . 5.200 3.684 1.946 4.541 0.054 14 0 "[ . 1 . 2]" 1
85 2 61 ALA HA 2 62 LEU MD1 4.500 . 6.000 4.463 3.963 5.874 . 0 0 "[ . 1 . 2]" 1
86 2 44 TYR HA 2 62 LEU MD1 4.000 . 6.000 3.311 2.134 4.038 . 0 0 "[ . 1 . 2]" 1
87 2 62 LEU MD1 2 70 GLN HG3 3.600 . 5.300 4.043 2.475 6.035 0.735 16 1 "[ . 1 .+ 2]" 1
88 2 62 LEU MD1 2 66 GLU HB2 2.800 . 3.800 2.157 1.990 2.266 . 0 0 "[ . 1 . 2]" 1
89 2 44 TYR QD 2 62 LEU MD1 4.600 . 6.000 2.792 2.206 3.474 . 0 0 "[ . 1 . 2]" 1
90 2 37 PHE HB2 2 74 LEU MD1 3.500 . 5.000 3.682 2.269 4.650 . 0 0 "[ . 1 . 2]" 1
91 2 22 LYS HE3 2 22 LYS HG3 3.300 . 4.700 2.297 2.028 2.728 . 0 0 "[ . 1 . 2]" 1
92 2 22 LYS HB3 2 22 LYS HG3 2.200 . 2.800 2.226 2.100 2.314 . 0 0 "[ . 1 . 2]" 1
93 2 22 LYS HD2 2 22 LYS HG3 1.900 . 2.400 1.970 1.867 2.065 . 0 0 "[ . 1 . 2]" 1
94 2 69 ALA HA 2 82 LEU QD 3.400 . 4.800 3.428 2.142 4.235 . 0 0 "[ . 1 . 2]" 1
95 2 22 LYS HB2 2 22 LYS HG3 2.200 . 2.800 2.111 2.005 2.169 . 0 0 "[ . 1 . 2]" 1
96 2 22 LYS QD 2 22 LYS HG3 1.800 . 2.200 2.065 1.992 2.135 . 0 0 "[ . 1 . 2]" 1
97 2 19 TYR HA 2 22 LYS HG3 4.700 . 6.000 4.142 2.681 4.806 . 0 0 "[ . 1 . 2]" 1
98 2 20 VAL QG 2 41 LEU QD 3.600 . 5.200 3.765 3.336 4.170 . 0 0 "[ . 1 . 2]" 1
99 2 40 ILE HA 2 62 LEU MD2 4.700 . 6.000 3.423 2.677 4.745 . 0 0 "[ . 1 . 2]" 1
100 2 27 PHE HB2 2 81 LEU MD2 4.000 . 6.000 3.858 2.858 4.463 . 0 0 "[ . 1 . 2]" 1
101 2 23 ILE HB 2 81 LEU MD2 3.200 . 4.500 3.358 2.548 4.291 . 0 0 "[ . 1 . 2]" 1
102 2 22 LYS HG2 2 81 LEU MD2 3.100 . 4.300 3.366 2.578 3.890 . 0 0 "[ . 1 . 2]" 1
103 2 49 ARG HG2 2 50 ASN QB 3.800 . 5.600 4.371 2.251 5.535 . 0 0 "[ . 1 . 2]" 1
104 2 46 LYS HA 2 49 ARG HG3 4.900 . 6.000 5.417 4.483 5.796 . 0 0 "[ . 1 . 2]" 1
105 2 4 SER QB 2 5 LEU HG 5.200 . 6.000 4.592 3.274 5.531 . 0 0 "[ . 1 . 2]" 1
106 2 19 TYR QE 2 23 ILE QG 4.700 . 6.000 3.146 2.853 3.278 . 0 0 "[ . 1 . 2]" 1
107 2 6 GLN HB3 2 6 GLN QG 2.100 . 2.600 2.021 1.928 2.100 . 0 0 "[ . 1 . 2]" 1
108 2 40 ILE MG 2 70 GLN HB2 4.100 . 6.000 3.095 2.415 3.642 . 0 0 "[ . 1 . 2]" 1
109 2 35 LYS QD 2 35 LYS HG3 2.000 . 2.500 2.045 1.934 2.133 . 0 0 "[ . 1 . 2]" 1
110 2 39 GLU QB 2 40 ILE HG12 4.100 . 6.000 3.992 3.293 4.531 . 0 0 "[ . 1 . 2]" 1
111 2 23 ILE QG 2 23 ILE MG 2.800 . 3.800 2.090 2.060 2.109 . 0 0 "[ . 1 . 2]" 1
112 2 36 ALA HA 2 39 GLU HB2 2.400 . 3.100 2.269 2.186 2.367 . 0 0 "[ . 1 . 2]" 1
113 2 11 VAL QG 2 12 GLU HB2 3.100 . 4.300 2.955 2.377 3.634 . 0 0 "[ . 1 . 2]" 1
114 2 9 GLN HB2 2 9 GLN QG 2.100 . 2.600 2.119 2.029 2.311 . 0 0 "[ . 1 . 2]" 1
115 2 79 GLU QB 2 79 GLU QG 2.000 . 2.500 1.987 1.907 2.048 . 0 0 "[ . 1 . 2]" 1
116 2 17 ILE HA 2 20 VAL HB 2.600 . 3.500 2.529 2.371 2.592 . 0 0 "[ . 1 . 2]" 1
117 2 21 ASN HA 2 24 LYS HB3 3.600 . 5.200 3.467 2.052 4.013 . 0 0 "[ . 1 . 2]" 1
118 2 22 LYS HB2 2 22 LYS HG3 2.200 . 2.800 2.059 1.926 2.141 . 0 0 "[ . 1 . 2]" 1
119 2 19 TYR HA 2 22 LYS HB2 2.300 . 3.000 2.210 1.627 2.631 . 0 0 "[ . 1 . 2]" 1
120 2 35 LYS HA 2 35 LYS QB 2.300 . 3.000 2.261 2.166 2.421 . 0 0 "[ . 1 . 2]" 1
121 2 19 TYR QE 2 22 LYS HB2 5.000 . 6.000 4.636 3.869 5.270 . 0 0 "[ . 1 . 2]" 1
122 2 30 GLN HG3 2 33 ILE MD 3.900 . 5.800 3.907 2.108 5.412 . 0 0 "[ . 1 . 2]" 1
123 2 39 GLU HA 2 39 GLU QG 2.700 . 3.600 2.396 2.140 2.781 . 0 0 "[ . 1 . 2]" 1
124 2 39 GLU QB 2 39 GLU HG3 1.900 . 2.400 1.990 1.954 2.071 . 0 0 "[ . 1 . 2]" 1
125 2 35 LYS HG2 2 39 GLU QG 4.400 . 6.000 3.484 2.272 4.633 . 0 0 "[ . 1 . 2]" 1
126 2 47 GLU HA 2 47 GLU HG2 2.600 . 3.500 2.217 1.955 2.534 . 0 0 "[ . 1 . 2]" 1
127 2 44 TYR HA 2 47 GLU HG3 2.800 . 3.800 2.576 2.251 3.150 . 0 0 "[ . 1 . 2]" 1
128 2 47 GLU HB2 2 47 GLU HG2 2.100 . 2.600 1.802 1.753 1.922 . 0 0 "[ . 1 . 2]" 1
129 2 71 VAL HA 2 74 LEU HB3 3.500 . 5.000 2.628 2.122 3.980 . 0 0 "[ . 1 . 2]" 1
130 2 71 VAL HA 2 74 LEU HG 4.000 . 6.000 3.869 3.284 4.357 . 0 0 "[ . 1 . 2]" 1
131 2 40 ILE MG 2 71 VAL HA 3.100 . 4.300 2.579 1.910 3.586 . 0 0 "[ . 1 . 2]" 1
132 2 40 ILE MD 2 71 VAL HA 3.400 . 4.800 2.914 2.407 3.630 . 0 0 "[ . 1 . 2]" 1
133 2 17 ILE HA 2 17 ILE HB 3.000 . 4.200 2.703 2.578 2.852 . 0 0 "[ . 1 . 2]" 1
134 2 17 ILE HB 2 17 ILE HG12 1.900 . 2.400 1.833 1.814 1.839 . 0 0 "[ . 1 . 2]" 1
135 2 7 ASN HA 2 7 ASN HB2 2.600 . 3.500 2.374 2.177 2.698 . 0 0 "[ . 1 . 2]" 1
136 2 7 ASN HA 2 7 ASN HB3 2.600 . 3.400 2.408 2.198 2.701 . 0 0 "[ . 1 . 2]" 1
137 2 14 ASN HB3 2 15 HIS HA 3.100 . 4.300 2.753 2.278 3.818 . 0 0 "[ . 1 . 2]" 1
138 2 23 ILE QG 2 26 ARG QD 3.100 . 4.300 3.604 2.686 4.113 . 0 0 "[ . 1 . 2]" 1
139 2 51 ALA MB 2 58 TYR HB3 3.200 . 4.500 2.465 1.884 3.191 0.016 1 0 "[ . 1 . 2]" 1
140 2 30 GLN HA 2 33 ILE MD 4.400 . 6.000 4.310 3.500 4.860 . 0 0 "[ . 1 . 2]" 1
141 2 27 PHE HB2 2 33 ILE MD 3.400 . 4.900 3.600 2.106 5.229 0.329 11 0 "[ . 1 . 2]" 1
142 2 5 LEU HB2 2 5 LEU QD 2.500 . 3.300 2.120 1.989 2.272 . 0 0 "[ . 1 . 2]" 1
143 2 19 TYR HA 2 22 LYS HE2 3.500 . 5.000 3.846 2.360 4.982 . 0 0 "[ . 1 . 2]" 1
144 2 19 TYR HA 2 22 LYS HE3 3.900 . 5.800 3.269 1.931 4.607 0.069 9 0 "[ . 1 . 2]" 1
145 2 22 LYS HB2 2 22 LYS HE3 3.800 . 5.600 2.581 1.779 3.648 0.221 9 0 "[ . 1 . 2]" 1
146 2 22 LYS HE3 2 22 LYS HG3 2.500 . 3.300 2.410 2.058 2.917 . 0 0 "[ . 1 . 2]" 1
147 2 35 LYS QE 2 35 LYS HG2 3.000 . 4.100 2.323 2.083 2.952 . 0 0 "[ . 1 . 2]" 1
148 2 49 ARG QD 2 49 ARG HG2 2.300 . 3.000 2.053 1.928 2.177 . 0 0 "[ . 1 . 2]" 1
149 2 49 ARG HA 2 49 ARG QD 3.500 . 5.100 3.073 1.856 3.783 0.044 5 0 "[ . 1 . 2]" 1
150 2 46 LYS HA 2 49 ARG HD2 3.200 . 4.500 3.392 2.314 4.577 0.077 9 0 "[ . 1 . 2]" 1
151 2 37 PHE HB3 2 40 ILE MD 4.800 . 6.000 3.703 2.696 4.354 . 0 0 "[ . 1 . 2]" 1
152 2 36 ALA MB 2 40 ILE MD 3.300 . 4.600 3.417 2.943 4.072 . 0 0 "[ . 1 . 2]" 1
153 2 33 ILE MD 2 33 ILE MG 2.300 . 3.000 1.873 1.691 1.959 . 0 0 "[ . 1 . 2]" 1
154 2 14 ASN HB3 2 17 ILE MG 4.500 . 6.000 4.343 3.434 4.756 . 0 0 "[ . 1 . 2]" 1
155 2 37 PHE HA 2 40 ILE MG 3.600 . 5.300 3.324 3.115 3.810 . 0 0 "[ . 1 . 2]" 1
156 2 20 VAL HA 2 23 ILE MG 3.200 . 4.400 3.081 2.393 4.115 . 0 0 "[ . 1 . 2]" 1
157 2 23 ILE HB 2 23 ILE MG 2.200 . 2.800 2.101 2.097 2.103 . 0 0 "[ . 1 . 2]" 1
158 2 19 TYR QE 2 23 ILE MG 2.800 . 3.800 2.886 2.200 3.434 . 0 0 "[ . 1 . 2]" 1
159 2 13 PHE HA 2 16 ALA MB 2.900 . 4.000 2.559 2.324 3.123 . 0 0 "[ . 1 . 2]" 1
160 2 48 GLN HB2 2 51 ALA MB 3.200 . 4.500 3.341 3.018 3.731 . 0 0 "[ . 1 . 2]" 1
161 2 47 GLU HG3 2 51 ALA MB 4.100 . 6.000 3.898 3.743 4.071 . 0 0 "[ . 1 . 2]" 1
162 2 51 ALA MB 2 58 TYR HA 4.200 . 6.000 3.625 2.345 4.816 . 0 0 "[ . 1 . 2]" 1
163 2 66 GLU HB3 2 69 ALA MB 3.200 . 4.500 3.414 2.948 3.933 . 0 0 "[ . 1 . 2]" 1
164 2 36 ALA MB 2 39 GLU QB 3.200 . 4.500 3.810 3.561 4.141 . 0 0 "[ . 1 . 2]" 1
165 2 33 ILE HG12 2 36 ALA MB 2.900 . 4.000 3.799 3.511 4.035 0.035 17 0 "[ . 1 . 2]" 1
166 2 15 HIS HB2 2 16 ALA MB 4.500 . 6.000 3.695 3.485 3.817 . 0 0 "[ . 1 . 2]" 1
167 2 51 ALA HA 2 54 ALA MB 3.000 . 4.200 3.053 2.587 3.373 . 0 0 "[ . 1 . 2]" 1
168 2 47 GLU HG3 2 62 LEU MD2 2.700 . 3.600 2.316 1.570 3.141 0.230 12 0 "[ . 1 . 2]" 1
169 2 10 PRO HA 2 10 PRO HB3 2.500 . 3.300 2.038 2.018 2.066 . 0 0 "[ . 1 . 2]" 1
170 2 19 TYR HA 2 19 TYR HB2 2.200 . 2.800 2.245 2.166 2.350 . 0 0 "[ . 1 . 2]" 1
171 2 21 ASN HA 2 21 ASN HB2 2.300 . 2.900 2.399 2.200 2.698 . 0 0 "[ . 1 . 2]" 1
172 2 44 TYR HA 2 44 TYR HB3 3.100 . 4.300 2.644 2.429 2.800 . 0 0 "[ . 1 . 2]" 1
173 2 44 TYR HA 2 44 TYR HB2 2.900 . 3.900 2.398 2.350 2.460 . 0 0 "[ . 1 . 2]" 1
174 2 44 TYR HB2 2 62 LEU MD2 3.500 . 5.000 2.108 1.952 2.595 0.048 18 0 "[ . 1 . 2]" 1
175 2 37 PHE HB2 2 74 LEU MD1 3.200 . 4.500 3.032 2.422 3.694 . 0 0 "[ . 1 . 2]" 1
176 2 68 TYR HB2 2 71 VAL QG 3.800 . 5.600 2.425 1.965 2.876 0.035 3 0 "[ . 1 . 2]" 1
177 2 44 TYR HB3 2 62 LEU MD2 5.000 . 6.000 3.193 2.937 3.729 . 0 0 "[ . 1 . 2]" 1
178 2 41 LEU QD 2 44 TYR HB3 3.900 . 5.800 3.130 2.672 3.502 . 0 0 "[ . 1 . 2]" 1
179 2 41 LEU HA 2 44 TYR QD 5.700 . 6.000 3.941 3.392 4.477 . 0 0 "[ . 1 . 2]" 1
180 2 24 LYS HB2 2 24 LYS QE 3.800 . 5.600 2.586 1.903 3.276 0.097 2 0 "[ . 1 . 2]" 1
181 2 49 ARG HA 2 49 ARG HG3 2.300 . 3.000 2.541 1.967 3.012 0.012 2 0 "[ . 1 . 2]" 1
182 2 22 LYS HB3 2 22 LYS HE3 3.700 . 5.400 2.911 1.951 3.618 0.049 1 0 "[ . 1 . 2]" 1
183 2 22 LYS QB 2 22 LYS HG3 2.100 . 2.700 2.067 1.980 2.128 . 0 0 "[ . 1 . 2]" 1
184 2 22 LYS QB 2 22 LYS QD 2.000 . 2.500 2.012 1.916 2.282 . 0 0 "[ . 1 . 2]" 1
185 2 49 ARG HA 2 52 LYS HB3 2.200 . 2.800 2.477 2.189 2.992 0.192 1 0 "[ . 1 . 2]" 1
186 2 78 GLN HA 2 78 GLN HG3 3.600 . 5.200 3.262 2.458 3.734 . 0 0 "[ . 1 . 2]" 1
187 2 31 PRO HG2 2 32 ASP HA 3.400 . 4.800 3.211 2.435 4.176 . 0 0 "[ . 1 . 2]" 1
188 2 52 LYS QB 2 52 LYS HG2 2.100 . 2.700 2.070 1.985 2.151 . 0 0 "[ . 1 . 2]" 1
189 1 9 GLN HA 1 10 LEU HB3 3.300 . 4.600 4.575 4.003 5.035 0.435 20 0 "[ . 1 . 2]" 1
190 1 16 LEU QB 1 16 LEU QD 2.000 . 2.500 1.701 1.679 1.758 . 0 0 "[ . 1 . 2]" 1
191 1 8 PRO HG2 1 10 LEU QD 3.500 . 5.000 3.587 1.916 4.492 0.084 10 0 "[ . 1 . 2]" 1
192 1 9 GLN HA 1 9 GLN QG 2.800 . 3.800 2.555 2.161 3.150 . 0 0 "[ . 1 . 2]" 1
193 1 31 LEU MD2 1 32 PRO HD3 3.200 . 4.500 3.072 2.175 4.077 . 0 0 "[ . 1 . 2]" 1
194 1 31 LEU HA 1 32 PRO QG 4.300 . 6.000 3.670 3.276 4.517 . 0 0 "[ . 1 . 2]" 1
195 1 7 GLN HB3 1 7 GLN QG 2.100 . 2.700 2.054 1.982 2.142 . 0 0 "[ . 1 . 2]" 1
196 1 7 GLN HB2 1 7 GLN QG 2.300 . 3.000 2.052 1.926 2.109 . 0 0 "[ . 1 . 2]" 1
197 1 7 GLN HB2 1 7 GLN HG3 2.200 . 2.800 2.008 1.924 2.186 . 0 0 "[ . 1 . 2]" 1
198 1 8 PRO HA 1 8 PRO HB3 2.100 . 2.600 1.903 1.881 1.919 . 0 0 "[ . 1 . 2]" 1
199 1 8 PRO HA 1 8 PRO QG 3.100 . 4.300 2.748 2.551 3.032 . 0 0 "[ . 1 . 2]" 1
200 1 8 PRO HB3 1 8 PRO HD3 3.200 . 4.500 2.819 2.517 3.171 . 0 0 "[ . 1 . 2]" 1
201 1 8 PRO HB3 1 8 PRO HD2 3.600 . 5.200 3.464 3.447 3.492 . 0 0 "[ . 1 . 2]" 1
202 1 8 PRO HD3 1 8 PRO QG 2.200 . 2.800 1.834 1.818 1.854 . 0 0 "[ . 1 . 2]" 1
203 1 8 PRO HD2 1 8 PRO QG 2.200 . 2.800 1.966 1.940 2.002 . 0 0 "[ . 1 . 2]" 1
204 1 8 PRO HA 1 8 PRO QG 3.200 . 4.400 2.900 2.629 3.134 . 0 0 "[ . 1 . 2]" 1
205 1 8 PRO HB3 1 8 PRO QG 1.800 . 2.200 1.867 1.847 1.889 . 0 0 "[ . 1 . 2]" 1
206 1 8 PRO HD3 1 8 PRO QG 2.200 . 2.800 1.836 1.820 1.853 . 0 0 "[ . 1 . 2]" 1
207 1 8 PRO HD2 1 8 PRO QG 2.000 . 2.500 1.737 1.720 1.749 . 0 0 "[ . 1 . 2]" 1
208 1 9 GLN HA 1 9 GLN HB2 2.300 . 3.000 2.467 2.213 2.692 . 0 0 "[ . 1 . 2]" 1
209 1 9 GLN HB2 1 9 GLN QG 2.100 . 2.600 2.111 2.020 2.245 . 0 0 "[ . 1 . 2]" 1
210 1 9 GLN HB3 1 9 GLN QG 2.100 . 2.600 2.200 2.020 2.300 . 0 0 "[ . 1 . 2]" 1
211 1 10 LEU HA 1 10 LEU HB3 2.500 . 3.300 2.251 2.137 2.349 . 0 0 "[ . 1 . 2]" 1
212 1 10 LEU HB3 1 10 LEU QD 2.600 . 3.400 1.930 1.866 1.997 . 0 0 "[ . 1 . 2]" 1
213 1 10 LEU HA 1 10 LEU QD 3.100 . 3.300 2.072 1.783 2.757 0.117 14 0 "[ . 1 . 2]" 1
214 1 15 GLU QB 1 15 GLU HG2 1.900 . 2.300 2.006 1.873 2.099 . 0 0 "[ . 1 . 2]" 1
215 1 16 LEU HA 1 16 LEU QB 2.900 . 3.900 2.039 1.895 2.365 0.005 15 0 "[ . 1 . 2]" 1
216 1 15 GLU HA 1 18 ILE HB 3.600 . 5.200 2.692 2.466 2.912 . 0 0 "[ . 1 . 2]" 1
217 1 15 GLU HA 1 18 ILE MD 3.300 . 4.700 2.583 1.908 3.550 . 0 0 "[ . 1 . 2]" 1
218 1 17 LEU QD 1 21 ALA HA 4.600 . 6.000 4.397 3.995 4.929 . 0 0 "[ . 1 . 2]" 1
219 1 19 ALA HA 1 22 MET HB2 3.900 . 5.800 2.539 2.320 2.788 . 0 0 "[ . 1 . 2]" 1
220 1 19 ALA HA 1 22 MET ME 3.500 . 5.000 3.425 1.999 4.092 0.001 10 0 "[ . 1 . 2]" 1
221 1 10 LEU HA 1 10 LEU HG 2.900 . 3.900 2.864 2.360 3.343 . 0 0 "[ . 1 . 2]" 1
222 1 26 PRO HD3 1 26 PRO HG2 2.100 . 2.700 1.822 1.804 1.839 . 0 0 "[ . 1 . 2]" 1
223 1 7 GLN HA 1 8 PRO QG 3.600 . 5.200 3.130 2.804 3.329 . 0 0 "[ . 1 . 2]" 1
224 1 38 THR HA 1 38 THR MG 2.600 . 3.400 2.136 1.928 2.866 . 0 0 "[ . 1 . 2]" 1
225 1 9 GLN HA 1 9 GLN HB3 2.400 . 3.100 2.269 2.126 2.687 . 0 0 "[ . 1 . 2]" 1
226 1 30 GLN HA 1 30 GLN HB3 2.600 . 3.400 2.321 2.141 2.696 . 0 0 "[ . 1 . 2]" 1
227 1 30 GLN HB3 1 30 GLN HG2 2.000 . 2.500 2.119 1.989 2.315 . 0 0 "[ . 1 . 2]" 1
228 1 30 GLN HA 1 30 GLN HB2 2.400 . 3.100 2.347 2.186 2.681 . 0 0 "[ . 1 . 2]" 1
229 1 30 GLN HB2 1 30 GLN HG2 2.100 . 2.600 2.208 2.091 2.310 . 0 0 "[ . 1 . 2]" 1
230 1 31 LEU HA 1 31 LEU QD 2.700 . 3.600 1.883 1.758 2.067 0.042 15 0 "[ . 1 . 2]" 1
231 1 30 GLN HA 1 31 LEU HA 2.800 . 3.800 3.735 3.622 3.821 0.021 17 0 "[ . 1 . 2]" 1
232 1 31 LEU HA 1 31 LEU HB2 2.600 . 3.400 2.396 2.181 2.692 . 0 0 "[ . 1 . 2]" 1
233 1 31 LEU HA 1 32 PRO HD3 2.400 . 3.100 1.952 1.708 3.169 0.069 16 0 "[ . 1 . 2]" 1
234 1 31 LEU HA 1 32 PRO HD2 2.500 . 3.300 2.053 1.574 3.351 0.126 3 0 "[ . 1 . 2]" 1
235 1 31 LEU HB2 1 31 LEU QD 2.100 . 2.700 1.855 1.789 1.917 . 0 0 "[ . 1 . 2]" 1
236 1 31 LEU HA 1 31 LEU MD2 2.600 . 3.500 2.575 1.820 3.465 . 0 0 "[ . 1 . 2]" 1
237 1 31 LEU HB3 1 31 LEU MD2 2.400 . 3.100 1.868 1.837 1.947 . 0 0 "[ . 1 . 2]" 1
238 1 31 LEU HB2 1 31 LEU MD2 2.600 . 3.400 2.321 2.090 2.854 . 0 0 "[ . 1 . 2]" 1
239 1 31 LEU MD2 1 32 PRO HD2 3.000 . 4.100 3.240 2.184 4.119 0.019 11 0 "[ . 1 . 2]" 1
240 1 8 PRO HA 1 8 PRO HD3 3.000 . 4.100 3.010 2.713 3.144 . 0 0 "[ . 1 . 2]" 1
241 1 8 PRO HB3 1 8 PRO HD2 4.000 . 6.000 2.705 2.524 3.032 . 0 0 "[ . 1 . 2]" 1
242 1 8 PRO HB3 1 8 PRO QG 1.600 . 2.200 1.583 1.578 1.593 . 0 0 "[ . 1 . 2]" 1
243 1 31 LEU HB2 1 32 PRO HD3 3.400 . 4.900 2.902 1.705 3.980 0.195 14 0 "[ . 1 . 2]" 1
244 1 31 LEU MD1 1 32 PRO HD3 4.000 . 6.000 2.457 1.763 3.190 0.237 6 0 "[ . 1 . 2]" 1
245 1 8 PRO HB2 1 8 PRO HD3 3.300 . 4.700 2.959 2.738 3.183 . 0 0 "[ . 1 . 2]" 1
246 1 31 LEU HB2 1 32 PRO HD2 2.800 . 3.800 3.240 1.706 3.826 0.094 14 0 "[ . 1 . 2]" 1
247 1 8 PRO HB3 1 8 PRO QG 1.800 . 2.200 1.771 1.754 1.795 . 0 0 "[ . 1 . 2]" 1
248 1 36 THR HB 1 36 THR MG 2.100 . 2.700 1.901 1.898 1.905 . 0 0 "[ . 1 . 2]" 1
249 1 38 THR HA 1 38 THR HB 1.900 . 2.400 2.336 2.188 2.434 0.034 20 0 "[ . 1 . 2]" 1
250 1 27 THR HA 1 27 THR HB 2.200 . 2.800 2.224 2.114 2.308 . 0 0 "[ . 1 . 2]" 1
251 1 27 THR HB 1 27 THR MG 2.100 . 2.700 1.901 1.897 1.904 . 0 0 "[ . 1 . 2]" 1
252 1 27 THR HB 1 27 THR MG 2.000 . 2.500 1.777 1.774 1.779 . 0 0 "[ . 1 . 2]" 1
253 1 16 LEU QB 1 16 LEU QD 2.200 . 2.800 1.743 1.701 1.834 . 0 0 "[ . 1 . 2]" 1
254 1 26 PRO HB3 1 26 PRO HD3 3.200 . 4.500 2.764 2.556 3.170 . 0 0 "[ . 1 . 2]" 1
255 1 5 TYR HA 1 6 VAL HA 3.800 . 5.700 3.730 3.658 3.967 . 0 0 "[ . 1 . 2]" 1
256 1 19 ALA MB 1 22 MET HB3 3.700 . 5.400 4.553 3.621 5.354 . 0 0 "[ . 1 . 2]" 1
257 1 8 PRO HB3 1 10 LEU QD 3.400 . 4.900 4.422 2.765 5.224 0.324 3 0 "[ . 1 . 2]" 1
258 1 31 LEU HA 1 31 LEU HB3 3.100 . 4.300 2.433 2.192 2.692 . 0 0 "[ . 1 . 2]" 1
259 2 7 ASN HB2 2 8 ASN H 2.500 . 3.300 2.748 1.819 3.561 0.261 16 0 "[ . 1 . 2]" 1
260 2 7 ASN HA 2 8 ASN H 2.600 . 3.400 2.359 1.935 2.785 . 0 0 "[ . 1 . 2]" 1
261 2 10 PRO HB3 2 11 VAL H 3.600 . 5.200 4.039 3.107 4.527 . 0 0 "[ . 1 . 2]" 1
262 2 10 PRO QG 2 11 VAL H 2.300 . 3.000 2.618 2.035 3.005 0.005 4 0 "[ . 1 . 2]" 1
263 2 13 PHE HA 2 14 ASN H 3.000 . 4.100 2.709 2.686 2.728 . 0 0 "[ . 1 . 2]" 1
264 2 13 PHE HA 2 16 ALA H 3.500 . 5.000 3.198 3.008 3.481 . 0 0 "[ . 1 . 2]" 1
265 2 13 PHE HA 2 17 ILE H 3.400 . 4.900 3.040 2.889 3.229 . 0 0 "[ . 1 . 2]" 1
266 2 48 GLN H 2 48 GLN HA 2.500 . 3.300 2.588 2.284 2.689 . 0 0 "[ . 1 . 2]" 1
267 2 44 TYR HA 2 48 GLN H 2.500 . 3.300 2.879 2.522 3.211 . 0 0 "[ . 1 . 2]" 1
268 2 20 VAL H 2 21 ASN H 2.300 . 3.000 2.377 2.277 2.414 . 0 0 "[ . 1 . 2]" 1
269 2 20 VAL HA 2 21 ASN H 3.500 . 5.000 3.170 3.094 3.286 . 0 0 "[ . 1 . 2]" 1
270 2 21 ASN H 2 21 ASN QB 2.500 . 3.300 2.136 1.926 2.356 . 0 0 "[ . 1 . 2]" 1
271 2 22 LYS H 2 23 ILE H 2.200 . 2.800 2.419 2.295 2.561 . 0 0 "[ . 1 . 2]" 1
272 2 20 VAL HA 2 23 ILE H 4.000 . 6.000 3.259 3.092 3.470 . 0 0 "[ . 1 . 2]" 1
273 2 22 LYS HB2 2 23 ILE H 2.500 . 3.300 2.609 2.565 2.647 . 0 0 "[ . 1 . 2]" 1
274 2 23 ILE H 2 23 ILE MD 4.600 . 6.000 3.299 2.136 3.522 . 0 0 "[ . 1 . 2]" 1
275 2 21 ASN HA 2 24 LYS H 4.300 . 6.000 3.444 3.199 3.651 . 0 0 "[ . 1 . 2]" 1
276 2 23 ILE MG 2 24 LYS H 3.400 . 4.800 2.611 2.135 3.349 . 0 0 "[ . 1 . 2]" 1
277 2 24 LYS HB3 2 25 ASN H 2.900 . 4.000 3.195 2.361 3.677 . 0 0 "[ . 1 . 2]" 1
278 2 25 ASN HA 2 26 ARG H 3.800 . 5.600 3.462 3.383 3.508 . 0 0 "[ . 1 . 2]" 1
279 2 22 LYS HG3 2 26 ARG H 3.100 . 4.300 4.397 4.056 4.784 0.484 14 0 "[ . 1 . 2]" 1
280 2 26 ARG HA 2 27 PHE H 3.500 . 5.100 3.223 3.195 3.251 . 0 0 "[ . 1 . 2]" 1
281 2 26 ARG HA 2 28 GLN H 4.100 . 6.000 4.050 3.789 4.686 . 0 0 "[ . 1 . 2]" 1
282 2 27 PHE HB2 2 28 GLN H 3.200 . 4.500 3.437 2.008 3.745 . 0 0 "[ . 1 . 2]" 1
283 2 27 PHE HB2 2 29 GLY H 3.600 . 5.200 3.414 2.599 4.072 . 0 0 "[ . 1 . 2]" 1
284 2 34 TYR HA 2 35 LYS H 4.800 . 6.000 3.468 3.441 3.492 . 0 0 "[ . 1 . 2]" 1
285 2 33 ILE HB 2 35 LYS H 3.400 . 4.900 3.864 2.369 4.198 . 0 0 "[ . 1 . 2]" 1
286 2 33 ILE HA 2 36 ALA H 3.200 . 4.500 3.126 2.975 3.285 . 0 0 "[ . 1 . 2]" 1
287 2 36 ALA H 2 37 PHE H 2.100 . 2.700 2.404 2.321 2.477 . 0 0 "[ . 1 . 2]" 1
288 2 37 PHE H 2 40 ILE MD 3.500 . 5.000 3.094 2.360 4.163 . 0 0 "[ . 1 . 2]" 1
289 2 36 ALA HA 2 40 ILE H 4.200 . 6.000 3.361 3.289 3.401 . 0 0 "[ . 1 . 2]" 1
290 2 40 ILE HA 2 43 THR H 3.300 . 4.700 2.684 2.559 2.744 . 0 0 "[ . 1 . 2]" 1
291 2 44 TYR H 2 44 TYR HA 2.900 . 3.900 2.677 2.581 2.747 . 0 0 "[ . 1 . 2]" 1
292 2 43 THR HB 2 44 TYR H 2.600 . 3.500 2.472 2.330 2.622 . 0 0 "[ . 1 . 2]" 1
293 2 44 TYR HA 2 45 GLN H 3.400 . 4.800 2.696 2.661 2.729 . 0 0 "[ . 1 . 2]" 1
294 2 45 GLN HB3 2 46 LYS H 3.000 . 4.100 2.779 2.398 3.664 . 0 0 "[ . 1 . 2]" 1
295 2 46 LYS HA 2 47 GLU H 3.200 . 4.500 2.867 2.369 3.088 . 0 0 "[ . 1 . 2]" 1
296 2 46 LYS H 2 47 GLU H 1.800 . 2.200 2.223 1.771 2.398 0.198 7 0 "[ . 1 . 2]" 1
297 2 48 GLN HB2 2 49 ARG H 2.200 . 2.800 2.247 2.175 2.317 . 0 0 "[ . 1 . 2]" 1
298 2 49 ARG H 2 49 ARG HG2 4.300 . 6.000 4.079 3.958 4.208 . 0 0 "[ . 1 . 2]" 1
299 2 6 GLN HA 2 7 ASN H 2.900 . 3.900 2.935 2.135 3.170 . 0 0 "[ . 1 . 2]" 1
300 2 49 ARG H 2 50 ASN H 2.300 . 3.000 2.366 2.261 2.468 . 0 0 "[ . 1 . 2]" 1
301 2 5 LEU HB3 2 7 ASN H 4.500 . 6.000 3.473 2.415 4.467 . 0 0 "[ . 1 . 2]" 1
302 2 49 ARG QB 2 51 ALA H 3.900 . 5.800 4.104 3.908 4.219 . 0 0 "[ . 1 . 2]" 1
303 2 48 GLN HA 2 51 ALA H 2.600 . 3.500 2.698 2.624 2.743 . 0 0 "[ . 1 . 2]" 1
304 2 47 GLU HA 2 51 ALA H 3.500 . 5.100 3.613 3.470 3.757 . 0 0 "[ . 1 . 2]" 1
305 2 49 ARG HA 2 52 LYS H 2.600 . 3.400 2.713 2.572 2.786 . 0 0 "[ . 1 . 2]" 1
306 2 48 GLN HA 2 52 LYS H 3.200 . 4.500 3.365 3.292 3.418 . 0 0 "[ . 1 . 2]" 1
307 2 50 ASN QB 2 52 LYS H 5.300 . 6.000 4.733 3.970 5.002 . 0 0 "[ . 1 . 2]" 1
308 2 52 LYS HA 2 53 GLU H 2.500 . 3.300 2.707 2.679 2.731 . 0 0 "[ . 1 . 2]" 1
309 2 52 LYS HB3 2 53 GLU H 2.200 . 2.800 2.303 1.966 2.530 . 0 0 "[ . 1 . 2]" 1
310 2 51 ALA MB 2 53 GLU H 4.000 . 6.000 3.876 3.714 3.998 . 0 0 "[ . 1 . 2]" 1
311 2 52 LYS HB3 2 54 ALA H 3.200 . 4.500 3.612 2.646 3.887 . 0 0 "[ . 1 . 2]" 1
312 2 32 ASP HB3 2 36 ALA H 4.000 . 6.000 4.518 4.115 4.911 . 0 0 "[ . 1 . 2]" 1
313 2 36 ALA H 2 37 PHE HA 3.600 . 5.200 3.619 3.254 3.862 . 0 0 "[ . 1 . 2]" 1
314 2 36 ALA H 2 36 ALA HA 2.700 . 3.600 2.700 2.674 2.726 . 0 0 "[ . 1 . 2]" 1
315 2 36 ALA H 2 37 PHE H 2.000 . 2.500 2.196 2.086 2.323 . 0 0 "[ . 1 . 2]" 1
316 2 55 GLY HA3 2 56 GLY H 2.500 . 3.300 2.710 2.457 2.788 . 0 0 "[ . 1 . 2]" 1
317 2 44 TYR HA 2 47 GLU H 2.600 . 3.500 2.887 2.491 3.089 . 0 0 "[ . 1 . 2]" 1
318 2 11 VAL HA 2 15 HIS H 2.600 . 3.400 2.835 2.346 3.051 . 0 0 "[ . 1 . 2]" 1
319 2 17 ILE H 2 18 ASN QB 2.800 . 3.800 2.992 2.379 3.829 0.029 3 0 "[ . 1 . 2]" 1
320 2 57 ASN H 2 57 ASN HB2 2.700 . 3.600 2.798 2.400 3.555 . 0 0 "[ . 1 . 2]" 1
321 2 57 ASN HB2 2 58 TYR H 2.500 . 3.300 2.693 2.292 3.387 0.087 6 0 "[ . 1 . 2]" 1
322 2 51 ALA HA 2 58 TYR H 4.100 . 6.000 3.292 2.874 4.729 . 0 0 "[ . 1 . 2]" 1
323 2 62 LEU H 2 63 THR H 4.100 . 6.000 3.277 2.869 3.568 . 0 0 "[ . 1 . 2]" 1
324 2 65 GLN H 2 66 GLU H 2.400 . 3.100 2.515 2.067 2.776 . 0 0 "[ . 1 . 2]" 1
325 2 65 GLN HB2 2 66 GLU H 2.400 . 3.100 2.382 2.140 2.546 . 0 0 "[ . 1 . 2]" 1
326 2 36 ALA HA 2 39 GLU H 2.800 . 3.800 2.691 2.637 2.749 . 0 0 "[ . 1 . 2]" 1
327 2 21 ASN H 2 21 ASN HB2 2.500 . 3.300 2.287 1.993 2.551 . 0 0 "[ . 1 . 2]" 1
328 2 17 ILE MG 2 21 ASN H 4.300 . 6.000 3.803 3.589 3.953 . 0 0 "[ . 1 . 2]" 1
329 2 68 TYR HA 2 71 VAL H 4.100 . 6.000 3.452 3.286 3.609 . 0 0 "[ . 1 . 2]" 1
330 2 40 ILE MG 2 71 VAL H 4.100 . 6.000 3.607 3.216 3.866 . 0 0 "[ . 1 . 2]" 1
331 2 40 ILE MG 2 72 ALA H 3.600 . 5.200 3.329 3.036 3.877 . 0 0 "[ . 1 . 2]" 1
332 2 69 ALA HA 2 72 ALA H 3.600 . 5.200 3.523 3.384 3.703 . 0 0 "[ . 1 . 2]" 1
333 2 76 LYS HA 2 78 GLN H 3.700 . 5.400 3.741 3.026 4.607 . 0 0 "[ . 1 . 2]" 1
334 2 79 GLU QB 2 81 LEU H 3.900 . 5.800 4.474 4.168 4.862 . 0 0 "[ . 1 . 2]" 1
335 2 54 ALA H 2 54 ALA HA 2.600 . 3.400 2.525 2.177 2.564 . 0 0 "[ . 1 . 2]" 1
336 2 81 LEU QB 2 82 LEU H 3.700 . 5.400 2.394 2.115 2.667 . 0 0 "[ . 1 . 2]" 1
337 2 43 THR HB 2 44 TYR H 2.700 . 3.600 2.356 2.257 2.448 . 0 0 "[ . 1 . 2]" 1
338 2 82 LEU HB3 2 83 SER H 3.100 . 4.300 3.013 2.561 3.819 . 0 0 "[ . 1 . 2]" 1
339 2 49 ARG H 2 49 ARG HA 2.300 . 3.000 2.260 2.188 2.335 . 0 0 "[ . 1 . 2]" 1
340 2 80 ASP HA 2 85 PHE H 3.600 . 5.300 4.250 4.086 4.392 . 0 0 "[ . 1 . 2]" 1
341 2 15 HIS H 2 16 ALA MB 3.600 . 5.200 3.677 3.346 4.106 . 0 0 "[ . 1 . 2]" 1
342 2 13 PHE HA 2 15 HIS H 3.700 . 5.400 3.389 3.339 3.432 . 0 0 "[ . 1 . 2]" 1
343 2 17 ILE H 2 17 ILE HG12 2.500 . 3.300 2.046 1.917 2.267 . 0 0 "[ . 1 . 2]" 1
344 2 17 ILE H 2 17 ILE HA 3.300 . 4.600 2.696 2.665 2.717 . 0 0 "[ . 1 . 2]" 1
345 2 18 ASN HA 2 19 TYR H 3.300 . 4.700 2.718 2.697 2.735 . 0 0 "[ . 1 . 2]" 1
346 2 18 ASN HA 2 20 VAL H 5.100 . 6.000 3.441 3.392 3.484 . 0 0 "[ . 1 . 2]" 1
347 2 23 ILE HA 2 26 ARG H 3.700 . 5.400 3.303 2.998 3.623 . 0 0 "[ . 1 . 2]" 1
348 2 47 GLU H 2 47 GLU HA 2.600 . 3.400 2.619 2.378 2.735 . 0 0 "[ . 1 . 2]" 1
349 2 46 LYS HA 2 49 ARG H 3.100 . 4.300 3.182 3.091 3.277 . 0 0 "[ . 1 . 2]" 1
350 2 52 LYS H 2 53 GLU H 2.300 . 3.000 2.308 2.185 2.425 . 0 0 "[ . 1 . 2]" 1
351 2 58 TYR HA 2 59 THR H 2.000 . 2.500 2.135 2.078 2.240 . 0 0 "[ . 1 . 2]" 1
352 2 73 ARG HA 2 74 LEU H 2.800 . 3.800 2.730 2.677 2.745 . 0 0 "[ . 1 . 2]" 1
353 2 77 ASN HA 2 78 GLN H 2.900 . 3.900 2.721 2.206 2.801 . 0 0 "[ . 1 . 2]" 1
354 2 43 THR H 2 44 TYR H 2.500 . 3.300 2.353 2.307 2.391 . 0 0 "[ . 1 . 2]" 1
355 2 85 PHE HB2 2 86 GLY H 2.300 . 3.000 2.274 2.266 2.286 . 0 0 "[ . 1 . 2]" 1
356 2 51 ALA MB 2 59 THR H 3.900 . 5.800 4.330 2.769 4.811 . 0 0 "[ . 1 . 2]" 1
357 2 33 ILE MD 2 36 ALA H 3.300 . 4.600 4.187 3.708 4.869 0.269 10 0 "[ . 1 . 2]" 1
358 2 17 ILE HA 2 20 VAL H 3.000 . 4.100 2.718 2.678 2.747 . 0 0 "[ . 1 . 2]" 1
359 2 41 LEU HA 2 45 GLN H 3.800 . 5.600 3.859 3.708 4.186 . 0 0 "[ . 1 . 2]" 1
360 1 15 GLU HA 1 16 LEU H 3.400 . 4.900 3.352 3.252 3.440 . 0 0 "[ . 1 . 2]" 1
361 1 37 CYS H 1 39 THR H 3.200 . 4.500 2.500 1.891 4.352 0.009 1 0 "[ . 1 . 2]" 1
362 1 4 ASP HA 1 5 TYR H 2.400 . 3.100 2.260 1.936 2.798 . 0 0 "[ . 1 . 2]" 1
363 1 6 VAL HB 1 7 GLN H 2.600 . 3.400 3.064 2.378 3.521 0.121 9 0 "[ . 1 . 2]" 1
364 1 8 PRO HG2 1 9 GLN H 2.700 . 3.600 3.274 2.526 3.853 0.253 20 0 "[ . 1 . 2]" 1
365 1 9 GLN HA 1 10 LEU H 2.100 . 2.600 2.235 1.981 2.668 0.068 16 0 "[ . 1 . 2]" 1
366 1 9 GLN HB3 1 10 LEU H 3.400 . 4.900 3.604 1.779 4.432 0.121 15 0 "[ . 1 . 2]" 1
367 1 10 LEU H 1 10 LEU HB3 2.300 . 3.000 2.391 2.134 2.636 . 0 0 "[ . 1 . 2]" 1
368 1 10 LEU H 1 10 LEU HB2 2.200 . 2.800 2.524 2.369 2.884 0.084 11 0 "[ . 1 . 2]" 1
369 1 10 LEU H 1 10 LEU QD 3.400 . 4.800 3.179 1.896 3.798 0.104 17 0 "[ . 1 . 2]" 1
370 1 12 ARG H 1 13 PRO HB3 3.200 . 6.000 4.460 2.513 5.372 . 0 0 "[ . 1 . 2]" 1
371 1 11 ARG HB3 1 12 ARG H 2.400 . 3.100 2.375 1.698 3.153 0.053 14 0 "[ . 1 . 2]" 1
372 1 15 GLU QG 1 16 LEU H 3.900 . 5.800 3.729 3.134 4.327 . 0 0 "[ . 1 . 2]" 1
373 1 17 LEU HA 1 18 ILE H 3.900 . 5.800 2.709 2.693 2.734 . 0 0 "[ . 1 . 2]" 1
374 1 17 LEU QD 1 18 ILE H 4.300 . 6.000 3.211 3.035 3.454 . 0 0 "[ . 1 . 2]" 1
375 1 16 LEU H 1 17 LEU QD 3.900 . 5.800 4.541 4.347 4.873 . 0 0 "[ . 1 . 2]" 1
376 1 17 LEU HA 1 20 ALA H 3.900 . 5.800 3.249 2.876 3.527 . 0 0 "[ . 1 . 2]" 1
377 1 19 ALA HA 1 20 ALA H 2.900 . 3.900 2.700 2.684 2.721 . 0 0 "[ . 1 . 2]" 1
378 1 17 LEU QD 1 21 ALA H 4.600 . 6.000 3.408 3.067 3.982 . 0 0 "[ . 1 . 2]" 1
379 1 19 ALA HA 1 22 MET H 2.600 . 3.400 2.716 2.640 2.778 . 0 0 "[ . 1 . 2]" 1
380 1 19 ALA HA 1 23 GLU H 2.800 . 3.800 3.319 3.246 3.369 . 0 0 "[ . 1 . 2]" 1
381 1 22 MET HB3 1 23 GLU H 3.000 . 4.100 2.871 2.234 3.473 . 0 0 "[ . 1 . 2]" 1
382 1 25 ASN HB3 1 28 GLN H 3.800 . 5.600 4.329 3.753 5.061 . 0 0 "[ . 1 . 2]" 1
383 1 29 PHE HA 1 30 GLN H 2.400 . 3.100 2.532 2.066 2.804 . 0 0 "[ . 1 . 2]" 1
384 1 30 GLN HB2 1 31 LEU H 3.300 . 4.700 3.999 3.473 4.390 . 0 0 "[ . 1 . 2]" 1
385 1 32 PRO QG 1 33 ASN H 3.400 . 4.900 4.382 3.752 4.795 . 0 0 "[ . 1 . 2]" 1
386 1 31 LEU HB2 1 33 ASN H 4.000 . 6.000 4.857 3.588 6.389 0.389 9 0 "[ . 1 . 2]" 1
387 1 35 LEU HA 1 36 THR H 2.500 . 3.300 2.611 2.210 2.795 . 0 0 "[ . 1 . 2]" 1
388 1 36 THR HB 1 37 CYS H 3.500 . 5.000 3.606 1.975 4.261 0.025 5 0 "[ . 1 . 2]" 1
389 1 36 THR MG 1 37 CYS H 4.800 . 6.000 3.404 1.981 4.063 0.019 7 0 "[ . 1 . 2]" 1
390 1 35 LEU HA 1 39 THR H 2.900 . 3.900 3.515 2.886 4.120 0.220 10 0 "[ . 1 . 2]" 1
391 1 38 THR HB 1 39 THR H 3.100 . 4.300 3.059 1.969 3.696 . 0 0 "[ . 1 . 2]" 1
392 1 38 THR MG 1 39 THR H 4.000 . 6.000 2.984 1.977 3.722 0.023 15 0 "[ . 1 . 2]" 1
393 1 39 THR HA 1 40 ALA H 2.600 . 3.400 2.332 1.963 2.820 . 0 0 "[ . 1 . 2]" 1
394 1 10 LEU H 1 10 LEU QD 3.900 . 5.800 3.030 1.892 3.578 0.108 17 0 "[ . 1 . 2]" 1
395 1 21 ALA HA 1 22 MET H 2.800 . 3.800 2.279 2.087 2.746 . 0 0 "[ . 1 . 2]" 1
396 1 20 ALA H 1 23 GLU H 4.100 . 6.000 3.844 3.722 4.004 . 0 0 "[ . 1 . 2]" 1
397 1 22 MET HB3 1 25 ASN H 5.100 . 6.000 4.762 4.294 5.079 . 0 0 "[ . 1 . 2]" 1
398 1 25 ASN HB3 1 25 ASN HD21 2.900 . 3.900 2.170 1.948 2.633 . 0 0 "[ . 1 . 2]" 1
399 1 25 ASN HB2 1 25 ASN HD21 3.000 . 4.100 1.984 1.888 2.199 0.012 1 0 "[ . 1 . 2]" 1
400 2 13 PHE QD 2 17 ILE HG13 3.900 . 5.800 3.484 2.868 3.756 . 0 0 "[ . 1 . 2]" 1
401 2 23 ILE HB 2 34 TYR QD 3.800 . 5.600 3.075 2.057 3.672 . 0 0 "[ . 1 . 2]" 1
402 2 67 VAL MG2 2 68 TYR QD 4.000 . 6.000 3.489 2.608 4.099 . 0 0 "[ . 1 . 2]" 1
403 2 68 TYR QD 2 71 VAL QG 2.800 . 3.800 2.425 2.150 3.142 . 0 0 "[ . 1 . 2]" 1
404 2 19 TYR QD 2 84 GLU QG 4.800 . 6.000 3.284 2.202 4.092 . 0 0 "[ . 1 . 2]" 1
405 2 19 TYR QD 2 22 LYS QD 3.400 . 4.800 2.543 1.986 2.965 0.014 5 0 "[ . 1 . 2]" 1
406 2 19 TYR QD 2 23 ILE QG 4.200 . 6.000 2.682 2.250 3.177 . 0 0 "[ . 1 . 2]" 1
407 2 27 PHE HZ 2 78 GLN HG2 3.600 . 5.300 3.254 2.511 4.064 . 0 0 "[ . 1 . 2]" 1
408 2 13 PHE HZ 2 16 ALA MB 3.600 . 5.200 4.469 3.496 4.902 . 0 0 "[ . 1 . 2]" 1
409 2 19 TYR QE 2 23 ILE QG 3.900 . 5.800 2.941 2.702 3.177 . 0 0 "[ . 1 . 2]" 1
410 2 37 PHE QD 2 38 LEU HG 3.300 . 4.700 3.527 2.419 4.032 . 0 0 "[ . 1 . 2]" 1
411 2 13 PHE HZ 2 17 ILE HG13 4.000 . 6.000 3.922 3.552 4.406 . 0 0 "[ . 1 . 2]" 1
412 2 19 TYR QE 2 23 ILE HB 3.900 . 5.800 2.619 1.909 3.014 0.091 3 0 "[ . 1 . 2]" 1
413 2 19 TYR QE 2 22 LYS QB 3.400 . 4.900 4.132 3.645 4.455 . 0 0 "[ . 1 . 2]" 1
414 2 19 TYR QE 2 23 ILE HB 3.400 . 4.900 2.648 1.910 3.057 . 0 0 "[ . 1 . 2]" 1
415 2 44 TYR QE 2 64 GLU HG3 3.800 . 5.600 3.971 2.328 5.377 . 0 0 "[ . 1 . 2]" 1
416 2 44 TYR QE 2 48 GLN HB3 3.800 . 5.600 3.610 2.725 4.377 . 0 0 "[ . 1 . 2]" 1
417 2 22 LYS HB3 2 88 PHE QE 3.000 . 6.000 6.002 5.669 6.106 0.106 16 0 "[ . 1 . 2]" 1
418 2 71 VAL QG 2 75 PHE QD 4.200 . 6.000 2.378 1.882 3.511 0.118 2 0 "[ . 1 . 2]" 1
419 2 19 TYR QE 2 81 LEU HA 2.500 . 3.300 2.414 1.900 2.929 . 0 0 "[ . 1 . 2]" 1
420 2 19 TYR QE 2 85 PHE HB2 3.500 . 5.100 2.958 2.438 3.215 . 0 0 "[ . 1 . 2]" 1
421 2 34 TYR QD 2 75 PHE QD 3.000 . 6.000 5.955 5.603 6.076 0.076 11 0 "[ . 1 . 2]" 1
422 2 37 PHE HZ 2 68 TYR HA 4.500 . 6.000 3.987 3.501 4.476 . 0 0 "[ . 1 . 2]" 1
423 2 13 PHE HA 2 13 PHE QD 2.700 . 3.600 2.281 2.031 2.463 . 0 0 "[ . 1 . 2]" 1
424 2 13 PHE QD 2 16 ALA MB 3.100 . 4.300 3.390 3.118 3.804 . 0 0 "[ . 1 . 2]" 1
425 2 19 TYR QD 2 19 TYR QE 1.800 . 2.200 1.923 1.909 1.940 . 0 0 "[ . 1 . 2]" 1
426 2 19 TYR QD 2 20 VAL QG 3.300 . 4.700 2.991 2.722 3.130 . 0 0 "[ . 1 . 2]" 1
427 2 19 TYR QD 2 20 VAL HA 4.300 . 6.000 3.649 3.412 3.776 . 0 0 "[ . 1 . 2]" 1
428 2 19 TYR QD 2 23 ILE MG 2.700 . 3.600 3.094 2.054 3.666 0.066 5 0 "[ . 1 . 2]" 1
429 2 19 TYR QD 2 23 ILE MD 3.100 . 4.300 2.739 2.213 2.977 . 0 0 "[ . 1 . 2]" 1
430 2 20 VAL QG 2 34 TYR QD 3.100 . 4.300 3.534 2.915 4.106 . 0 0 "[ . 1 . 2]" 1
431 2 24 LYS HB2 2 34 TYR QD 3.100 . 4.300 3.930 3.348 4.459 0.159 16 0 "[ . 1 . 2]" 1
432 2 24 LYS HG2 2 34 TYR QD 2.600 . 3.400 3.192 2.817 3.709 0.309 13 0 "[ . 1 . 2]" 1
433 2 19 TYR QE 2 23 ILE MG 2.600 . 3.400 2.536 2.120 2.833 . 0 0 "[ . 1 . 2]" 1
434 2 24 LYS HA 2 34 TYR QE 3.500 . 5.000 4.510 3.493 5.013 0.013 8 0 "[ . 1 . 2]" 1
435 2 34 TYR QE 2 38 LEU QD 2.600 . 3.400 2.493 1.844 3.525 0.125 1 0 "[ . 1 . 2]" 1
436 2 37 PHE HA 2 37 PHE QD 2.700 . 3.600 2.364 2.019 2.608 . 0 0 "[ . 1 . 2]" 1
437 2 19 TYR QE 2 85 PHE HB3 2.700 . 3.600 2.283 2.257 2.312 . 0 0 "[ . 1 . 2]" 1
438 2 19 TYR QE 2 20 VAL QG 3.600 . 5.200 3.041 2.876 3.157 . 0 0 "[ . 1 . 2]" 1
439 2 27 PHE HZ 2 33 ILE MD 2.600 . 3.400 2.391 1.982 2.820 . 0 0 "[ . 1 . 2]" 1
440 2 13 PHE QD 2 20 VAL MG2 3.500 . 5.100 4.857 4.579 4.965 . 0 0 "[ . 1 . 2]" 1
441 2 71 VAL QG 2 85 PHE QE 2.700 . 3.600 2.144 1.791 2.609 0.009 10 0 "[ . 1 . 2]" 1
442 2 37 PHE HZ 2 85 PHE QE 2.000 . 2.500 1.909 1.617 2.053 . 0 0 "[ . 1 . 2]" 1
443 2 44 TYR HA 2 44 TYR QD 2.700 . 3.600 2.625 2.393 2.768 . 0 0 "[ . 1 . 2]" 1
444 2 37 PHE HB2 2 37 PHE QD 2.600 . 3.400 2.222 2.152 2.307 . 0 0 "[ . 1 . 2]" 1
445 2 19 TYR QE 2 22 LYS QD 3.100 . 4.300 2.612 1.830 3.642 0.070 12 0 "[ . 1 . 2]" 1
446 2 24 LYS HB2 2 34 TYR QE 2.700 . 3.600 3.330 2.125 3.672 0.072 1 0 "[ . 1 . 2]" 1
447 2 19 TYR HB2 2 19 TYR QE 3.300 . 4.700 3.287 2.988 3.434 . 0 0 "[ . 1 . 2]" 1
448 2 50 ASN QB 2 58 TYR QE 4.300 . 6.000 2.940 2.321 4.168 . 0 0 "[ . 1 . 2]" 1
449 2 33 ILE HB 2 34 TYR QD 4.100 . 6.000 4.213 3.855 4.555 . 0 0 "[ . 1 . 2]" 1
450 2 34 TYR QD 2 37 PHE HB3 3.900 . 5.800 3.572 3.033 4.046 . 0 0 "[ . 1 . 2]" 1
451 2 26 ARG HB2 2 27 PHE HZ 3.400 . 4.800 3.896 3.641 4.162 . 0 0 "[ . 1 . 2]" 1
452 2 26 ARG HB3 2 75 PHE QD 3.200 . 4.500 3.188 2.180 4.181 . 0 0 "[ . 1 . 2]" 1
453 2 33 ILE MD 2 75 PHE QD 3.300 . 4.600 3.438 2.673 4.673 0.073 11 0 "[ . 1 . 2]" 1
454 2 75 PHE QD 2 81 LEU QB 3.500 . 5.000 2.659 1.869 3.856 0.131 11 0 "[ . 1 . 2]" 1
455 2 12 GLU HA 2 88 PHE QE 2.800 . 6.000 3.191 1.980 3.721 . 0 0 "[ . 1 . 2]" 1
456 2 23 ILE MG 2 75 PHE QD 3.200 . 4.500 2.665 1.870 3.513 0.030 11 0 "[ . 1 . 2]" 1
457 2 19 TYR QE 2 23 ILE MD 2.600 . 3.400 1.997 1.760 2.257 0.040 9 0 "[ . 1 . 2]" 1
458 2 19 TYR QE 2 81 LEU MD1 2.600 . 3.400 1.775 1.650 1.877 0.150 20 0 "[ . 1 . 2]" 1
459 2 37 PHE HZ 2 41 LEU QD 3.600 . 5.200 2.383 2.029 2.795 . 0 0 "[ . 1 . 2]" 1
460 2 37 PHE HZ 2 71 VAL QG 3.900 . 5.800 2.816 2.398 3.128 . 0 0 "[ . 1 . 2]" 1
461 2 23 ILE MG 2 37 PHE HZ 3.200 . 4.400 3.206 2.496 3.913 . 0 0 "[ . 1 . 2]" 1
462 2 19 TYR QE 2 85 PHE QD 2.300 . 3.000 1.700 1.574 2.054 0.026 20 0 "[ . 1 . 2]" 1
463 2 15 HIS HD2 2 88 PHE QE 4.000 . 6.000 4.135 2.833 5.081 . 0 0 "[ . 1 . 2]" 1
464 2 23 ILE MG 2 75 PHE QE 2.500 . 3.300 2.864 2.197 3.381 0.081 11 0 "[ . 1 . 2]" 1
465 2 26 ARG QG 2 27 PHE QE 2.800 . 3.800 2.104 1.903 2.264 . 0 0 "[ . 1 . 2]" 1
466 2 19 TYR QD 2 22 LYS HG3 4.400 . 6.000 3.985 3.453 4.285 . 0 0 "[ . 1 . 2]" 1
467 2 27 PHE HZ 2 78 GLN HB2 4.100 . 6.000 2.958 2.120 3.627 . 0 0 "[ . 1 . 2]" 1
468 2 27 PHE QE 2 75 PHE HZ 4.300 . 6.000 3.862 3.219 4.561 . 0 0 "[ . 1 . 2]" 1
469 2 15 HIS HD2 2 88 PHE HZ 4.200 . 6.000 4.180 1.969 5.992 0.031 13 0 "[ . 1 . 2]" 1
470 2 19 TYR QE 2 85 PHE HA 4.000 . 6.000 3.531 3.244 3.703 . 0 0 "[ . 1 . 2]" 1
471 2 19 TYR QE 2 84 GLU HA 4.300 . 6.000 3.422 3.179 3.673 . 0 0 "[ . 1 . 2]" 1
472 2 65 GLN HA 2 68 TYR QD 4.800 . 6.000 3.968 3.641 4.283 . 0 0 "[ . 1 . 2]" 1
473 2 27 PHE QE 2 33 ILE MD 2.900 . 3.900 3.150 2.608 3.913 0.013 5 0 "[ . 1 . 2]" 1
474 2 23 ILE MD 2 37 PHE QD 3.300 . 4.600 3.088 2.645 3.587 . 0 0 "[ . 1 . 2]" 1
475 2 19 TYR QE 2 81 LEU QB 3.100 . 4.300 2.313 1.939 2.813 . 0 0 "[ . 1 . 2]" 1
476 2 24 LYS HD3 2 34 TYR QD 3.300 . 4.600 4.142 2.601 4.948 0.348 7 0 "[ . 1 . 2]" 1
477 2 89 LEU HA 2 90 PRO HD2 2.700 . 3.600 2.943 2.576 3.746 0.146 16 0 "[ . 1 . 2]" 1
478 2 89 LEU HA 2 90 PRO HD3 3.000 . 4.100 2.664 2.115 4.224 0.124 14 0 "[ . 1 . 2]" 1
479 2 9 GLN HA 2 10 PRO QD 2.400 . 3.100 2.054 1.749 2.860 . 0 0 "[ . 1 . 2]" 1
480 2 30 GLN HA 2 31 PRO HD2 2.600 . 3.500 2.443 1.946 2.672 . 0 0 "[ . 1 . 2]" 1
481 2 31 PRO HB2 2 31 PRO HD2 2.800 . 3.800 2.662 2.636 2.738 . 0 0 "[ . 1 . 2]" 1
482 2 31 PRO HD3 2 31 PRO QG 2.400 . 3.100 2.197 2.185 2.238 . 0 0 "[ . 1 . 2]" 1
483 2 89 LEU HB3 2 90 PRO HD2 4.800 . 6.000 4.948 3.896 5.426 . 0 0 "[ . 1 . 2]" 1
484 2 10 PRO HB3 2 10 PRO QD 3.400 . 4.900 3.131 2.878 3.520 . 0 0 "[ . 1 . 2]" 1
485 2 89 LEU QD 2 90 PRO HD3 3.300 . 4.700 4.024 3.570 4.476 . 0 0 "[ . 1 . 2]" 1
486 2 89 LEU QD 2 90 PRO HD2 3.600 . 5.200 4.513 3.522 5.202 0.002 8 0 "[ . 1 . 2]" 1
487 2 31 PRO HB3 2 31 PRO HD3 3.500 . 5.000 3.793 2.964 4.059 . 0 0 "[ . 1 . 2]" 1
488 2 59 THR HA 2 59 THR MG 2.800 . 3.800 2.354 2.204 3.227 . 0 0 "[ . 1 . 2]" 1
489 2 59 THR MG 2 60 PRO HD3 3.300 . 4.700 3.768 3.247 4.362 . 0 0 "[ . 1 . 2]" 1
490 2 11 VAL HA 2 11 VAL QG 3.100 . 3.800 2.282 2.132 2.407 . 0 0 "[ . 1 . 2]" 1
491 2 67 VAL MG2 2 71 VAL QG 3.900 . 5.800 4.616 3.904 5.167 . 0 0 "[ . 1 . 2]" 1
492 2 40 ILE MD 2 71 VAL QG . . 3.500 2.771 1.909 3.472 0.091 2 0 "[ . 1 . 2]" 1
493 2 11 VAL QG 2 12 GLU HA 3.500 . 5.000 3.244 2.952 3.812 . 0 0 "[ . 1 . 2]" 1
494 2 11 VAL QG 2 15 HIS HB2 3.500 . 5.000 4.145 3.005 4.876 . 0 0 "[ . 1 . 2]" 1
495 2 67 VAL HA 2 67 VAL MG1 3.000 . 4.100 2.420 2.354 2.504 . 0 0 "[ . 1 . 2]" 1
496 2 67 VAL MG1 2 85 PHE QE 3.100 . 4.300 3.271 2.717 3.843 . 0 0 "[ . 1 . 2]" 1
497 2 37 PHE QE 2 67 VAL MG1 3.300 . 4.700 4.004 3.349 4.530 . 0 0 "[ . 1 . 2]" 1
498 2 44 TYR QD 2 67 VAL MG1 3.600 . 5.200 4.403 3.975 5.040 . 0 0 "[ . 1 . 2]" 1
499 2 59 THR HA 2 60 PRO QD 2.200 . 2.800 1.874 1.750 2.024 . 0 0 "[ . 1 . 2]" 1
500 2 60 PRO HB3 2 60 PRO QD 4.300 . 6.000 3.246 2.857 3.540 . 0 0 "[ . 1 . 2]" 1
501 2 60 PRO QD 2 60 PRO HG2 2.600 . 3.400 2.208 2.184 2.246 . 0 0 "[ . 1 . 2]" 1
502 2 60 PRO QD 2 60 PRO HG3 2.400 . 3.100 2.215 2.176 2.247 . 0 0 "[ . 1 . 2]" 1
503 2 60 PRO HD3 2 60 PRO HG3 2.500 . 3.300 2.312 2.293 2.325 . 0 0 "[ . 1 . 2]" 1
504 2 51 ALA MB 2 60 PRO QD 4.000 . 6.000 2.465 2.003 3.366 . 0 0 "[ . 1 . 2]" 1
505 2 59 THR MG 2 60 PRO QD 3.900 . 5.800 2.868 2.409 3.668 . 0 0 "[ . 1 . 2]" 1
506 2 63 THR HA 2 63 THR MG 2.100 . 2.700 1.954 1.906 1.997 . 0 0 "[ . 1 . 2]" 1
507 2 41 LEU HB3 2 41 LEU QD 3.500 . 4.300 2.181 2.108 2.257 . 0 0 "[ . 1 . 2]" 1
508 2 43 THR MG 2 62 LEU QD 2.700 . 3.600 2.079 1.779 2.308 0.021 19 0 "[ . 1 . 2]" 1
509 2 43 THR MG 2 47 GLU QG 2.900 . 4.000 2.677 2.243 3.586 . 0 0 "[ . 1 . 2]" 1
510 2 43 THR HB 2 43 THR MG 2.300 . 3.000 2.136 2.133 2.140 . 0 0 "[ . 1 . 2]" 1
511 2 89 LEU HA 2 89 LEU QD 3.400 . 4.800 2.801 1.938 3.448 0.062 2 0 "[ . 1 . 2]" 1
512 2 81 LEU HA 2 81 LEU MD1 2.500 . 3.300 2.028 1.829 2.221 . 0 0 "[ . 1 . 2]" 1
513 2 81 LEU MD1 2 81 LEU HG 2.300 . 3.000 2.128 2.125 2.131 . 0 0 "[ . 1 . 2]" 1
514 2 81 LEU QB 2 81 LEU MD1 2.300 . 3.000 2.277 2.244 2.344 . 0 0 "[ . 1 . 2]" 1
515 2 23 ILE MG 2 81 LEU MD1 2.500 . 3.300 3.296 2.903 3.392 0.092 9 0 "[ . 1 . 2]" 1
516 2 81 LEU MD1 2 81 LEU MD2 2.400 . 3.100 2.081 2.064 2.088 . 0 0 "[ . 1 . 2]" 1
517 2 19 TYR QE 2 81 LEU MD1 2.900 . 3.900 2.062 1.874 2.202 0.026 20 0 "[ . 1 . 2]" 1
518 2 41 LEU QD 2 44 TYR QE 2.900 . 6.000 4.934 4.251 5.852 . 0 0 "[ . 1 . 2]" 1
519 2 38 LEU HA 2 38 LEU QD 2.600 . 3.400 2.049 1.954 2.313 0.046 8 0 "[ . 1 . 2]" 1
520 2 10 PRO HB3 2 11 VAL QG 4.300 . 6.000 4.753 3.840 5.617 . 0 0 "[ . 1 . 2]" 1
521 2 43 THR HA 2 43 THR MG 2.600 . 3.400 2.357 2.292 2.409 . 0 0 "[ . 1 . 2]" 1
522 2 43 THR MG 2 47 GLU QB 4.100 . 6.000 4.119 3.861 4.538 . 0 0 "[ . 1 . 2]" 1
523 2 43 THR MG 2 46 LYS QB 3.400 . 4.900 3.570 3.148 3.836 . 0 0 "[ . 1 . 2]" 1
524 2 43 THR MG 2 62 LEU HB3 3.400 . 4.800 3.142 2.345 3.939 . 0 0 "[ . 1 . 2]" 1
525 2 38 LEU HB3 2 38 LEU QD . . 3.600 2.240 2.147 2.298 . 0 0 "[ . 1 . 2]" 1
526 2 38 LEU HB2 2 38 LEU QD 2.400 . 3.100 2.111 2.093 2.123 . 0 0 "[ . 1 . 2]" 1
527 2 38 LEU QD 2 41 LEU QD 2.900 . 3.900 2.658 2.056 3.612 . 0 0 "[ . 1 . 2]" 1
528 2 37 PHE QD 2 38 LEU QD 3.100 . 4.300 3.997 3.497 4.219 . 0 0 "[ . 1 . 2]" 1
529 2 34 TYR QD 2 38 LEU QD 3.700 . 5.000 3.572 2.823 4.409 . 0 0 "[ . 1 . 2]" 1
530 2 54 ALA HA 2 54 ALA MB 2.300 . 2.900 2.128 2.123 2.134 . 0 0 "[ . 1 . 2]" 1
531 2 92 ALA HA 2 92 ALA MB 2.400 . 3.100 2.127 2.119 2.136 . 0 0 "[ . 1 . 2]" 1
532 2 43 THR MG 2 44 TYR HA 4.100 . 6.000 3.627 3.428 3.755 . 0 0 "[ . 1 . 2]" 1
533 2 19 TYR HA 2 20 VAL QG 4.600 . 6.000 4.814 4.493 4.906 . 0 0 "[ . 1 . 2]" 1
534 2 75 PHE HA 2 75 PHE HB3 3.000 . 4.200 2.489 2.415 2.572 . 0 0 "[ . 1 . 2]" 1
535 2 93 ASN HA 2 93 ASN HB3 2.400 . 3.100 2.752 2.412 3.034 . 0 0 "[ . 1 . 2]" 1
536 2 78 GLN HA 2 78 GLN HB3 3.000 . 4.100 2.656 2.443 3.030 . 0 0 "[ . 1 . 2]" 1
537 2 78 GLN HA 2 78 GLN HB2 3.000 . 4.100 2.872 2.406 3.029 . 0 0 "[ . 1 . 2]" 1
538 2 17 ILE HG12 2 20 VAL QG 3.300 . 4.600 3.931 3.108 4.260 . 0 0 "[ . 1 . 2]" 1
539 2 17 ILE MD 2 20 VAL QG 3.000 . 4.100 3.601 3.052 3.873 . 0 0 "[ . 1 . 2]" 1
540 2 20 VAL QG 2 34 TYR QD 3.200 . 6.000 4.465 3.941 4.840 . 0 0 "[ . 1 . 2]" 1
541 2 68 TYR HA 2 71 VAL QG 3.400 . 4.800 2.374 1.894 3.130 0.106 4 0 "[ . 1 . 2]" 1
542 2 71 VAL HA 2 71 VAL QG 2.900 . 3.800 2.167 2.087 2.299 . 0 0 "[ . 1 . 2]" 1
543 2 71 VAL MG1 2 71 VAL MG2 2.500 . 3.300 2.072 2.044 2.091 . 0 0 "[ . 1 . 2]" 1
544 2 71 VAL QG 2 85 PHE QE 3.400 . 4.900 2.542 2.101 2.835 . 0 0 "[ . 1 . 2]" 1
545 2 68 TYR QD 2 71 VAL QG 3.300 . 4.600 3.061 2.411 3.864 . 0 0 "[ . 1 . 2]" 1
546 2 37 PHE QE 2 71 VAL QG 3.300 . 4.700 2.281 2.104 2.585 . 0 0 "[ . 1 . 2]" 1
547 2 82 LEU HA 2 82 LEU QD 2.700 . 3.600 2.007 1.804 2.878 0.096 12 0 "[ . 1 . 2]" 1
548 2 5 LEU HA 2 5 LEU QD 2.800 . 3.800 2.210 1.888 3.032 0.112 15 0 "[ . 1 . 2]" 1
549 2 72 ALA HA 2 82 LEU QD 2.600 . 3.500 1.949 1.624 2.857 0.176 18 0 "[ . 1 . 2]" 1
550 2 20 VAL HA 2 20 VAL QG 2.500 . 3.100 2.135 2.106 2.260 . 0 0 "[ . 1 . 2]" 1
551 2 75 PHE HB2 2 82 LEU QD 3.100 . 4.300 2.662 1.915 3.718 0.085 1 0 "[ . 1 . 2]" 1
552 2 82 LEU HB3 2 82 LEU QD 2.700 . 3.600 2.193 2.110 2.296 . 0 0 "[ . 1 . 2]" 1
553 2 82 LEU HB2 2 82 LEU QD 2.800 . 3.300 2.290 2.102 2.464 . 0 0 "[ . 1 . 2]" 1
554 2 5 LEU HB2 2 5 LEU QD 2.800 . 3.800 2.211 2.101 2.325 . 0 0 "[ . 1 . 2]" 1
555 2 72 ALA MB 2 82 LEU QD 2.700 . 3.100 2.250 1.951 2.640 . 0 0 "[ . 1 . 2]" 1
556 2 62 LEU HB3 2 67 VAL MG2 3.700 . 5.400 2.392 1.941 3.421 0.059 4 0 "[ . 1 . 2]" 1
557 2 71 VAL QG 2 82 LEU QD 3.800 . 5.600 2.265 1.930 3.123 0.070 1 0 "[ . 1 . 2]" 1
558 2 44 TYR QE 2 67 VAL MG2 4.000 . 6.000 3.658 3.218 4.542 . 0 0 "[ . 1 . 2]" 1
559 2 20 VAL QG 2 23 ILE MD 4.400 . 6.000 2.876 2.402 3.289 . 0 0 "[ . 1 . 2]" 1
560 2 19 TYR QD 2 20 VAL QG 3.800 . 5.600 3.218 2.810 3.444 . 0 0 "[ . 1 . 2]" 1
561 2 30 GLN HA 2 31 PRO HD3 2.700 . 3.600 2.285 1.954 2.848 . 0 0 "[ . 1 . 2]" 1
562 2 30 GLN HA 2 30 GLN HB3 2.600 . 3.400 2.419 2.214 2.903 . 0 0 "[ . 1 . 2]" 1
563 2 76 LYS HB2 2 76 LYS QG 2.600 . 3.400 2.343 2.168 2.406 . 0 0 "[ . 1 . 2]" 1
564 2 76 LYS QD 2 76 LYS QG 2.200 . 2.800 2.068 1.998 2.094 . 0 0 "[ . 1 . 2]" 1
565 2 51 ALA HA 2 58 TYR HB2 4.500 . 6.000 3.577 2.191 4.921 . 0 0 "[ . 1 . 2]" 1
566 2 51 ALA HA 2 58 TYR HB3 3.600 . 5.200 2.195 1.830 4.174 0.170 10 0 "[ . 1 . 2]" 1
567 2 51 ALA HA 2 58 TYR QE 5.400 . 6.000 4.309 2.578 4.943 . 0 0 "[ . 1 . 2]" 1
568 2 9 GLN HA 2 9 GLN HB3 2.500 . 3.300 2.268 2.152 2.373 . 0 0 "[ . 1 . 2]" 1
569 2 62 LEU HA 2 62 LEU HB3 2.900 . 4.000 2.517 2.200 2.701 . 0 0 "[ . 1 . 2]" 1
570 2 62 LEU HA 2 62 LEU HB2 2.800 . 3.800 2.668 2.453 3.018 . 0 0 "[ . 1 . 2]" 1
571 2 62 LEU HA 2 62 LEU QD 2.800 . 3.800 2.245 1.858 3.093 . 0 0 "[ . 1 . 2]" 1
572 2 36 ALA HA 2 39 GLU QG 3.600 . 5.200 3.594 2.472 4.783 . 0 0 "[ . 1 . 2]" 1
573 2 36 ALA HA 2 39 GLU QB 2.600 . 3.400 2.669 2.415 2.970 . 0 0 "[ . 1 . 2]" 1
574 2 36 ALA HA 2 36 ALA MB 2.200 . 2.800 2.130 2.125 2.134 . 0 0 "[ . 1 . 2]" 1
575 2 69 ALA HA 2 72 ALA MB 2.700 . 3.600 2.780 2.440 3.013 . 0 0 "[ . 1 . 2]" 1
576 2 72 ALA HA 2 72 ALA MB 2.400 . 3.100 2.127 2.117 2.134 . 0 0 "[ . 1 . 2]" 1
577 2 80 ASP HA 2 80 ASP HB3 2.400 . 3.100 2.674 2.446 3.028 . 0 0 "[ . 1 . 2]" 1
578 2 25 ASN HA 2 28 GLN QG 3.700 . 5.400 4.062 3.552 4.783 . 0 0 "[ . 1 . 2]" 1
579 2 25 ASN HA 2 28 GLN HB3 4.000 . 6.000 4.068 2.524 5.085 . 0 0 "[ . 1 . 2]" 1
580 2 25 ASN HA 2 28 GLN HB2 3.000 . 4.200 2.771 2.167 4.142 . 0 0 "[ . 1 . 2]" 1
581 2 80 ASP HA 2 81 LEU QB 3.500 . 6.000 5.164 5.117 5.195 . 0 0 "[ . 1 . 2]" 1
582 2 21 ASN HA 2 24 LYS HB2 2.900 . 3.900 2.972 2.558 3.722 . 0 0 "[ . 1 . 2]" 1
583 2 5 LEU HA 2 5 LEU HB3 2.900 . 3.900 2.430 2.214 2.748 . 0 0 "[ . 1 . 2]" 1
584 2 5 LEU HA 2 5 LEU HB2 2.900 . 3.900 2.905 2.445 3.026 . 0 0 "[ . 1 . 2]" 1
585 2 14 ASN HA 2 17 ILE HG12 2.700 . 3.600 2.584 2.160 2.798 . 0 0 "[ . 1 . 2]" 1
586 2 16 ALA HA 2 88 PHE HZ 3.700 . 5.400 2.637 2.078 4.025 . 0 0 "[ . 1 . 2]" 1
587 2 16 ALA HA 2 19 TYR HB2 3.700 . 5.400 3.189 2.811 3.469 . 0 0 "[ . 1 . 2]" 1
588 2 26 ARG HA 2 26 ARG QG 3.700 . 5.400 2.835 2.392 3.006 . 0 0 "[ . 1 . 2]" 1
589 2 6 GLN HA 2 6 GLN QG 3.300 . 4.600 2.607 2.325 3.003 . 0 0 "[ . 1 . 2]" 1
590 2 18 ASN HA 2 18 ASN QB 2.600 . 3.500 2.399 2.168 2.472 . 0 0 "[ . 1 . 2]" 1
591 2 32 ASP HA 2 35 LYS QB 2.300 . 3.000 2.328 1.653 2.835 . 0 0 "[ . 1 . 2]" 1
592 2 26 ARG HA 2 26 ARG QD 2.600 . 3.500 2.740 1.918 3.270 . 0 0 "[ . 1 . 2]" 1
593 2 81 LEU HA 2 81 LEU QB 2.800 . 3.800 2.414 2.353 2.471 . 0 0 "[ . 1 . 2]" 1
594 2 27 PHE HA 2 27 PHE HB3 3.000 . 4.100 2.499 2.431 2.571 . 0 0 "[ . 1 . 2]" 1
595 2 27 PHE HA 2 30 GLN HB2 4.500 . 6.000 4.225 3.061 6.455 0.455 18 0 "[ . 1 . 2]" 1
596 2 38 LEU HA 2 41 LEU QD 4.000 . 6.000 2.992 2.220 3.935 . 0 0 "[ . 1 . 2]" 1
597 2 38 LEU HA 2 38 LEU HB2 2.900 . 4.000 2.513 2.466 2.609 . 0 0 "[ . 1 . 2]" 1
598 2 38 LEU HA 2 38 LEU HG 3.500 . 5.000 2.987 2.802 3.142 . 0 0 "[ . 1 . 2]" 1
599 2 48 GLN HA 2 51 ALA MB 2.900 . 3.900 2.621 2.403 3.034 . 0 0 "[ . 1 . 2]" 1
600 2 48 GLN HA 2 48 GLN HB2 2.400 . 3.100 2.391 2.175 2.466 . 0 0 "[ . 1 . 2]" 1
601 2 48 GLN HA 2 48 GLN HB3 2.500 . 3.300 2.565 2.348 2.842 . 0 0 "[ . 1 . 2]" 1
602 2 41 LEU HA 2 41 LEU HB2 2.900 . 3.900 2.748 2.461 3.025 . 0 0 "[ . 1 . 2]" 1
603 2 41 LEU HA 2 44 TYR HB2 4.800 . 6.000 3.712 3.449 4.094 . 0 0 "[ . 1 . 2]" 1
604 2 41 LEU HA 2 44 TYR HB3 4.000 . 6.000 2.754 2.442 3.137 . 0 0 "[ . 1 . 2]" 1
605 2 41 LEU HA 2 41 LEU QD 2.900 . 3.900 2.027 1.945 2.115 . 0 0 "[ . 1 . 2]" 1
606 2 52 LYS HA 2 52 LYS QB 2.000 . 2.500 2.392 2.310 2.533 0.033 19 0 "[ . 1 . 2]" 1
607 2 52 LYS HA 2 52 LYS HG3 2.800 . 3.800 3.071 2.492 3.751 . 0 0 "[ . 1 . 2]" 1
608 2 82 LEU HA 2 85 PHE HB2 2.500 . 3.300 2.871 2.422 3.312 0.012 11 0 "[ . 1 . 2]" 1
609 2 12 GLU HA 2 15 HIS HB2 3.100 . 4.300 2.855 2.136 3.784 . 0 0 "[ . 1 . 2]" 1
610 2 12 GLU HA 2 15 HIS HB3 3.500 . 5.100 2.998 1.895 4.205 0.005 2 0 "[ . 1 . 2]" 1
611 2 42 HIS HA 2 42 HIS HB2 2.900 . 3.900 2.457 2.386 2.736 . 0 0 "[ . 1 . 2]" 1
612 2 12 GLU HA 2 12 GLU HB3 2.700 . 3.600 2.789 2.359 3.025 . 0 0 "[ . 1 . 2]" 1
613 2 12 GLU HA 2 12 GLU HB2 2.600 . 3.400 2.747 2.447 3.022 . 0 0 "[ . 1 . 2]" 1
614 2 82 LEU HA 2 82 LEU HB2 2.900 . 4.000 2.669 2.375 3.016 . 0 0 "[ . 1 . 2]" 1
615 2 82 LEU HA 2 82 LEU HG 3.500 . 5.000 3.286 2.479 3.733 . 0 0 "[ . 1 . 2]" 1
616 2 71 VAL QG 2 82 LEU HA 4.600 . 6.000 3.932 3.426 4.799 . 0 0 "[ . 1 . 2]" 1
617 2 12 GLU HA 2 88 PHE QE 3.300 . 4.700 4.222 3.391 4.733 0.033 14 0 "[ . 1 . 2]" 1
618 2 58 TYR HA 2 58 TYR QD 2.900 . 4.000 2.775 2.113 3.558 . 0 0 "[ . 1 . 2]" 1
619 2 15 HIS HA 2 15 HIS HD2 3.400 . 4.900 2.751 2.239 4.244 . 0 0 "[ . 1 . 2]" 1
620 2 2 ASN QB 2 4 SER HA 3.800 . 5.600 4.858 3.335 5.462 . 0 0 "[ . 1 . 2]" 1
621 2 58 TYR HA 2 58 TYR HB3 2.800 . 3.800 3.006 2.730 3.031 . 0 0 "[ . 1 . 2]" 1
622 2 58 TYR HA 2 58 TYR HB2 2.800 . 3.800 2.409 2.258 2.505 . 0 0 "[ . 1 . 2]" 1
623 2 15 HIS HA 2 18 ASN QB 3.800 . 5.600 2.815 2.285 4.279 . 0 0 "[ . 1 . 2]" 1
624 2 15 HIS HA 2 15 HIS HB3 3.000 . 4.100 2.863 2.517 3.033 . 0 0 "[ . 1 . 2]" 1
625 2 15 HIS HA 2 15 HIS HB2 2.900 . 3.900 2.674 2.422 3.023 . 0 0 "[ . 1 . 2]" 1
626 2 53 GLU HA 2 53 GLU HG2 3.100 . 4.300 3.160 2.458 3.758 . 0 0 "[ . 1 . 2]" 1
627 2 53 GLU HA 2 53 GLU HB2 2.300 . 2.900 2.580 2.420 3.027 0.127 9 0 "[ . 1 . 2]" 1
628 2 87 GLN HA 2 87 GLN HB2 2.500 . 3.300 2.846 2.429 3.025 . 0 0 "[ . 1 . 2]" 1
629 2 74 LEU HA 2 74 LEU HB3 3.000 . 4.100 2.971 2.513 3.021 . 0 0 "[ . 1 . 2]" 1
630 2 74 LEU HA 2 74 LEU HG 3.100 . 4.300 3.056 2.460 3.709 . 0 0 "[ . 1 . 2]" 1
631 2 74 LEU HA 2 74 LEU HB2 2.900 . 4.000 2.543 2.431 3.015 . 0 0 "[ . 1 . 2]" 1
632 2 74 LEU HA 2 74 LEU QD 2.800 . 3.800 2.141 1.868 2.867 . 0 0 "[ . 1 . 2]" 1
633 2 19 TYR QE 2 81 LEU HA 3.100 . 4.300 2.750 2.105 3.260 . 0 0 "[ . 1 . 2]" 1
634 2 32 ASP HA 2 32 ASP HB3 2.400 . 3.100 2.705 2.348 3.025 . 0 0 "[ . 1 . 2]" 1
635 2 32 ASP HA 2 32 ASP HB2 2.700 . 3.600 2.699 2.341 3.027 . 0 0 "[ . 1 . 2]" 1
636 2 59 THR HA 2 60 PRO HD3 2.000 . 2.500 2.172 1.827 2.596 0.096 18 0 "[ . 1 . 2]" 1
637 2 59 THR HA 2 59 THR HB 2.600 . 3.400 2.800 2.428 3.030 . 0 0 "[ . 1 . 2]" 1
638 2 59 THR HA 2 60 PRO HG3 5.300 . 6.000 4.231 3.933 4.407 . 0 0 "[ . 1 . 2]" 1
639 2 59 THR HA 2 60 PRO HG2 5.100 . 6.000 4.292 3.966 4.485 . 0 0 "[ . 1 . 2]" 1
640 2 47 GLU HA 2 50 ASN QB 3.100 . 4.300 2.641 2.115 3.518 . 0 0 "[ . 1 . 2]" 1
641 2 39 GLU HA 2 42 HIS HB3 2.900 . 4.000 2.317 1.910 2.972 . 0 0 "[ . 1 . 2]" 1
642 2 63 THR MG 2 65 GLN HA 4.500 . 6.000 5.482 4.188 6.120 0.120 13 0 "[ . 1 . 2]" 1
643 2 28 GLN HA 2 28 GLN HB3 2.300 . 2.900 2.979 2.426 3.020 0.120 3 0 "[ . 1 . 2]" 1
644 2 70 GLN HA 2 70 GLN HG3 3.500 . 5.000 3.369 2.924 3.740 . 0 0 "[ . 1 . 2]" 1
645 2 45 GLN HA 2 45 GLN HG3 3.200 . 4.500 2.951 2.526 3.716 . 0 0 "[ . 1 . 2]" 1
646 2 76 LYS HA 2 76 LYS QG 2.700 . 3.600 2.695 2.349 3.356 . 0 0 "[ . 1 . 2]" 1
647 2 72 ALA MB 2 73 ARG HA 4.500 . 6.000 3.913 3.826 3.978 . 0 0 "[ . 1 . 2]" 1
648 2 46 LYS HA 2 46 LYS QB 2.100 . 2.600 2.368 2.295 2.414 . 0 0 "[ . 1 . 2]" 1
649 2 46 LYS HA 2 46 LYS HG2 3.500 . 5.000 2.826 2.414 3.321 . 0 0 "[ . 1 . 2]" 1
650 2 35 LYS HA 2 35 LYS QB 2.500 . 3.300 2.385 2.284 2.455 . 0 0 "[ . 1 . 2]" 1
651 2 35 LYS HA 2 35 LYS HG2 3.300 . 4.600 2.891 2.287 3.870 . 0 0 "[ . 1 . 2]" 1
652 2 35 LYS HA 2 38 LEU HB3 3.000 . 4.100 2.577 2.129 3.004 . 0 0 "[ . 1 . 2]" 1
653 2 35 LYS HA 2 38 LEU QD 3.400 . 4.900 3.167 2.828 3.550 . 0 0 "[ . 1 . 2]" 1
654 2 24 LYS HA 2 24 LYS HG3 2.800 . 3.800 3.042 2.442 3.245 . 0 0 "[ . 1 . 2]" 1
655 2 24 LYS HA 2 24 LYS HB2 3.000 . 4.100 2.851 2.406 3.025 . 0 0 "[ . 1 . 2]" 1
656 2 22 LYS HA 2 25 ASN HB2 2.700 . 3.600 3.331 2.485 4.260 0.660 18 2 "[ . 1 . +-2]" 1
657 2 22 LYS HA 2 22 LYS HB3 2.500 . 3.300 3.023 3.007 3.032 . 0 0 "[ . 1 . 2]" 1
658 2 79 GLU HA 2 82 LEU HB2 2.700 . 3.600 3.300 2.077 4.459 0.859 13 4 "[ * -. 1 + * 2]" 1
659 2 22 LYS HA 2 22 LYS HG3 2.500 . 3.300 2.569 2.401 2.710 . 0 0 "[ . 1 . 2]" 1
660 2 22 LYS HA 2 22 LYS HG2 3.700 . 5.400 3.159 2.893 3.343 . 0 0 "[ . 1 . 2]" 1
661 2 22 LYS HA 2 25 ASN HB3 3.400 . 4.900 2.941 2.184 4.925 0.025 13 0 "[ . 1 . 2]" 1
662 2 63 THR HA 2 63 THR MG 2.700 . 3.600 2.272 2.144 2.402 . 0 0 "[ . 1 . 2]" 1
663 2 37 PHE HA 2 40 ILE MD 2.600 . 3.500 2.240 1.909 2.591 . 0 0 "[ . 1 . 2]" 1
664 2 37 PHE HA 2 40 ILE HB 3.300 . 4.600 2.698 2.251 3.363 . 0 0 "[ . 1 . 2]" 1
665 2 37 PHE HA 2 37 PHE HB2 2.800 . 3.800 2.419 2.384 2.447 . 0 0 "[ . 1 . 2]" 1
666 2 37 PHE HA 2 37 PHE QD 3.000 . 4.200 2.637 2.458 2.768 . 0 0 "[ . 1 . 2]" 1
667 2 64 GLU HA 2 64 GLU HG2 3.200 . 4.500 3.491 2.490 3.761 . 0 0 "[ . 1 . 2]" 1
668 2 64 GLU HA 2 67 VAL MG2 4.300 . 6.000 2.803 2.400 3.291 . 0 0 "[ . 1 . 2]" 1
669 2 64 GLU HA 2 89 LEU QD 3.900 . 5.800 3.767 2.987 4.510 . 0 0 "[ . 1 . 2]" 1
670 2 79 GLU HA 2 79 GLU QG 3.300 . 4.600 2.680 2.365 3.489 . 0 0 "[ . 1 . 2]" 1
671 2 34 TYR HA 2 37 PHE HB3 3.300 . 4.600 2.552 2.210 2.903 . 0 0 "[ . 1 . 2]" 1
672 2 24 LYS HA 2 34 TYR HA 4.100 . 6.000 5.846 5.070 6.044 0.044 3 0 "[ . 1 . 2]" 1
673 2 33 ILE MG 2 34 TYR HA 4.300 . 6.000 3.443 3.264 3.827 . 0 0 "[ . 1 . 2]" 1
674 2 34 TYR HA 2 34 TYR QD 2.900 . 3.900 2.724 2.171 2.971 . 0 0 "[ . 1 . 2]" 1
675 2 19 TYR HA 2 19 TYR QD 2.800 . 3.700 2.425 2.283 2.644 . 0 0 "[ . 1 . 2]" 1
676 2 13 PHE HA 2 13 PHE QD 3.100 . 4.300 2.626 2.480 2.831 . 0 0 "[ . 1 . 2]" 1
677 2 13 PHE HA 2 16 ALA MB 3.000 . 4.200 2.617 2.336 3.265 . 0 0 "[ . 1 . 2]" 1
678 2 13 PHE HA 2 13 PHE HB3 3.000 . 4.100 3.028 3.023 3.032 . 0 0 "[ . 1 . 2]" 1
679 2 83 SER HA 2 83 SER QB 2.300 . 2.900 2.363 2.183 2.457 . 0 0 "[ . 1 . 2]" 1
680 2 19 TYR HA 2 19 TYR HB2 2.800 . 3.800 2.433 2.409 2.456 . 0 0 "[ . 1 . 2]" 1
681 2 19 TYR HA 2 22 LYS HB3 2.800 . 3.800 2.355 2.198 2.728 . 0 0 "[ . 1 . 2]" 1
682 2 85 PHE HA 2 88 PHE QD 2.600 . 3.400 1.947 1.717 2.956 0.083 3 0 "[ . 1 . 2]" 1
683 2 68 TYR HA 2 68 TYR HB2 2.900 . 4.000 2.485 2.419 2.540 . 0 0 "[ . 1 . 2]" 1
684 2 44 TYR HA 2 47 GLU QB 3.100 . 4.300 2.720 2.229 3.279 . 0 0 "[ . 1 . 2]" 1
685 2 44 TYR HA 2 62 LEU QD 3.200 . 4.500 2.598 1.965 3.499 . 0 0 "[ . 1 . 2]" 1
686 2 44 TYR HA 2 44 TYR QD 3.400 . 4.800 2.799 2.409 3.080 . 0 0 "[ . 1 . 2]" 1
687 2 65 GLN HA 2 68 TYR HA 4.400 . 6.000 5.551 5.172 5.976 . 0 0 "[ . 1 . 2]" 1
688 2 60 PRO HA 2 60 PRO HB3 2.400 . 3.100 2.285 2.260 2.305 . 0 0 "[ . 1 . 2]" 1
689 2 51 ALA MB 2 60 PRO HA 4.100 . 6.000 3.846 2.791 4.901 . 0 0 "[ . 1 . 2]" 1
690 2 90 PRO HA 2 90 PRO HB3 2.400 . 3.100 2.273 2.256 2.307 . 0 0 "[ . 1 . 2]" 1
691 2 33 ILE HA 2 33 ILE MG 2.700 . 3.600 2.406 2.224 2.495 . 0 0 "[ . 1 . 2]" 1
692 2 17 ILE HA 2 20 VAL HB 3.500 . 5.000 3.215 2.803 5.046 0.046 10 0 "[ . 1 . 2]" 1
693 2 17 ILE HA 2 20 VAL QG 3.400 . 4.900 3.148 2.164 3.455 . 0 0 "[ . 1 . 2]" 1
694 2 17 ILE HA 2 17 ILE HG12 2.800 . 3.800 2.324 2.267 2.362 . 0 0 "[ . 1 . 2]" 1
695 2 10 PRO HA 2 10 PRO HB3 2.400 . 3.100 2.296 2.255 2.330 . 0 0 "[ . 1 . 2]" 1
696 2 10 PRO HA 2 13 PHE QB 3.600 . 5.200 3.403 2.233 5.042 . 0 0 "[ . 1 . 2]" 1
697 2 10 PRO HA 2 10 PRO QD 4.200 . 6.000 3.465 3.314 3.545 . 0 0 "[ . 1 . 2]" 1
698 2 11 VAL HA 2 14 ASN HB2 3.800 . 5.600 3.316 2.253 4.155 . 0 0 "[ . 1 . 2]" 1
699 2 11 VAL HA 2 14 ASN HB3 4.200 . 6.000 3.260 2.390 4.873 . 0 0 "[ . 1 . 2]" 1
700 2 31 PRO HA 2 31 PRO HB3 2.400 . 3.100 2.280 2.263 2.308 . 0 0 "[ . 1 . 2]" 1
701 2 31 PRO HA 2 34 TYR HB3 3.300 . 4.700 3.329 2.813 4.701 0.001 18 0 "[ . 1 . 2]" 1
702 2 31 PRO HA 2 31 PRO HD2 4.900 . 6.000 3.958 3.906 4.094 . 0 0 "[ . 1 . 2]" 1
703 2 23 ILE HA 2 23 ILE QG 3.500 . 4.500 2.468 2.416 2.516 . 0 0 "[ . 1 . 2]" 1
704 2 23 ILE HA 2 81 LEU MD2 3.400 . 4.900 2.663 2.136 4.155 . 0 0 "[ . 1 . 2]" 1
705 2 40 ILE HA 2 40 ILE HB 3.100 . 4.300 2.628 2.408 2.738 . 0 0 "[ . 1 . 2]" 1
706 2 40 ILE HA 2 40 ILE HG12 2.800 . 3.800 2.844 2.422 3.790 . 0 0 "[ . 1 . 2]" 1
707 2 40 ILE HA 2 40 ILE MG 2.700 . 3.600 2.392 2.285 2.499 . 0 0 "[ . 1 . 2]" 1
708 2 40 ILE HA 2 43 THR HB 3.000 . 4.100 2.888 2.507 3.264 . 0 0 "[ . 1 . 2]" 1
709 2 67 VAL HA 2 67 VAL MG2 2.500 . 3.300 2.365 2.274 2.437 . 0 0 "[ . 1 . 2]" 1
710 2 20 VAL HA 2 23 ILE HB 3.200 . 4.500 3.058 2.791 3.475 . 0 0 "[ . 1 . 2]" 1
711 2 43 THR HB 2 46 LYS QE 4.800 . 6.000 5.033 4.157 5.780 . 0 0 "[ . 1 . 2]" 1
712 2 43 THR HB 2 62 LEU QD 3.200 . 4.500 2.291 1.864 3.149 0.036 2 0 "[ . 1 . 2]" 1
713 2 85 PHE HB2 2 85 PHE QD 3.100 . 4.300 2.422 2.351 2.539 . 0 0 "[ . 1 . 2]" 1
714 2 64 GLU HG2 2 89 LEU QD 3.500 . 5.000 3.898 2.359 5.456 0.456 9 0 "[ . 1 . 2]" 1
715 2 89 LEU HB3 2 89 LEU QD 2.500 . 3.300 2.195 2.104 2.362 . 0 0 "[ . 1 . 2]" 1
716 2 89 LEU QD 2 89 LEU HG 2.400 . 3.100 1.895 1.892 1.899 0.008 2 0 "[ . 1 . 2]" 1
717 2 89 LEU HB2 2 89 LEU QD 2.400 . 3.100 2.160 2.099 2.286 . 0 0 "[ . 1 . 2]" 1
718 2 68 TYR QD 2 89 LEU QD 3.000 . 4.100 2.701 2.171 3.446 . 0 0 "[ . 1 . 2]" 1
719 2 44 TYR QE 2 89 LEU QD 4.900 . 6.000 5.430 4.416 5.920 . 0 0 "[ . 1 . 2]" 1
720 2 46 LYS HA 2 46 LYS HG3 3.000 . 4.200 2.923 2.516 3.637 . 0 0 "[ . 1 . 2]" 1
721 2 33 ILE MG 2 74 LEU MD1 3.200 . 4.500 2.656 1.870 3.833 0.030 2 0 "[ . 1 . 2]" 1
722 2 74 LEU HB2 2 74 LEU MD1 2.500 . 3.300 2.415 2.233 3.200 . 0 0 "[ . 1 . 2]" 1
723 2 24 LYS QE 2 24 LYS HG3 3.200 . 4.500 2.780 2.374 3.517 . 0 0 "[ . 1 . 2]" 1
724 2 74 LEU HA 2 74 LEU MD1 3.100 . 4.300 2.605 2.037 3.853 . 0 0 "[ . 1 . 2]" 1
725 2 37 PHE HA 2 74 LEU MD1 3.600 . 5.200 4.444 2.520 5.897 0.697 19 1 "[ . 1 . +2]" 1
726 2 33 ILE HA 2 74 LEU MD1 3.700 . 5.400 3.173 2.220 4.843 . 0 0 "[ . 1 . 2]" 1
727 2 62 LEU HA 2 62 LEU MD1 2.800 . 3.800 2.390 1.901 3.768 . 0 0 "[ . 1 . 2]" 1
728 2 62 LEU MD1 2 67 VAL HA 3.700 . 5.400 3.834 2.956 6.017 0.617 16 1 "[ . 1 .+ 2]" 1
729 2 44 TYR HB3 2 62 LEU MD1 5.100 . 6.000 5.726 3.751 6.071 0.071 6 0 "[ . 1 . 2]" 1
730 2 44 TYR HB2 2 62 LEU MD1 3.800 . 5.600 4.411 2.629 4.842 . 0 0 "[ . 1 . 2]" 1
731 2 62 LEU MD1 2 66 GLU HB3 2.600 . 3.400 2.378 1.806 3.970 0.570 14 1 "[ . 1 +. 2]" 1
732 2 62 LEU HB2 2 62 LEU MD1 2.500 . 3.300 2.381 2.132 3.198 . 0 0 "[ . 1 . 2]" 1
733 2 43 THR MG 2 62 LEU MD1 2.600 . 3.400 2.935 1.848 3.463 0.063 6 0 "[ . 1 . 2]" 1
734 2 52 LYS HA 2 52 LYS HG2 3.300 . 4.700 3.042 2.363 3.823 . 0 0 "[ . 1 . 2]" 1
735 2 46 LYS QE 2 46 LYS HG2 4.100 . 6.000 2.868 2.298 3.489 . 0 0 "[ . 1 . 2]" 1
736 2 52 LYS QE 2 52 LYS HG2 3.400 . 4.800 2.699 2.328 3.508 . 0 0 "[ . 1 . 2]" 1
737 2 35 LYS HA 2 35 LYS HG3 3.400 . 4.900 2.833 2.463 3.637 . 0 0 "[ . 1 . 2]" 1
738 2 35 LYS QB 2 35 LYS HG2 2.200 . 2.800 2.360 2.150 2.466 . 0 0 "[ . 1 . 2]" 1
739 2 46 LYS QB 2 46 LYS HG2 2.500 . 3.300 2.399 2.295 2.507 . 0 0 "[ . 1 . 2]" 1
740 2 46 LYS QD 2 46 LYS HG2 2.100 . 2.600 2.301 2.170 2.388 . 0 0 "[ . 1 . 2]" 1
741 2 52 LYS QB 2 52 LYS HG2 2.100 . 2.700 2.314 2.155 2.464 . 0 0 "[ . 1 . 2]" 1
742 2 46 LYS QE 2 46 LYS HG3 4.200 . 5.200 3.074 2.367 3.496 . 0 0 "[ . 1 . 2]" 1
743 2 82 LEU MD1 2 82 LEU MD2 2.100 . 2.700 2.085 2.067 2.092 . 0 0 "[ . 1 . 2]" 1
744 2 75 PHE QD 2 82 LEU QD 4.600 . 6.000 2.786 1.871 4.344 0.029 11 0 "[ . 1 . 2]" 1
745 2 22 LYS QD 2 22 LYS HG2 2.500 . 3.300 2.279 2.154 2.375 . 0 0 "[ . 1 . 2]" 1
746 2 22 LYS HB3 2 22 LYS HG2 2.500 . 3.300 2.428 2.352 2.536 . 0 0 "[ . 1 . 2]" 1
747 2 35 LYS QD 2 35 LYS HG2 1.900 . 2.400 2.341 2.153 2.436 0.036 8 0 "[ . 1 . 2]" 1
748 2 35 LYS QE 2 35 LYS HG2 3.300 . 4.700 2.670 2.271 3.315 . 0 0 "[ . 1 . 2]" 1
749 2 22 LYS HG2 2 81 LEU MD1 3.100 . 4.300 2.402 2.092 2.728 . 0 0 "[ . 1 . 2]" 1
750 2 22 LYS HG3 2 81 LEU MD1 3.200 . 4.500 3.793 3.465 4.153 . 0 0 "[ . 1 . 2]" 1
751 2 24 LYS QE 2 38 LEU QD 4.100 . 6.000 4.895 4.325 5.368 . 0 0 "[ . 1 . 2]" 1
752 2 38 LEU QD 2 39 GLU QG 3.700 . 5.400 4.359 3.691 5.358 . 0 0 "[ . 1 . 2]" 1
753 2 41 LEU QD 2 85 PHE QE 2.900 . 6.000 3.960 3.126 5.076 . 0 0 "[ . 1 . 2]" 1
754 2 37 PHE QE 2 41 LEU QD 3.500 . 5.000 2.816 2.273 3.578 . 0 0 "[ . 1 . 2]" 1
755 2 62 LEU HA 2 62 LEU MD2 3.600 . 5.200 3.572 1.918 3.893 0.082 14 0 "[ . 1 . 2]" 1
756 2 43 THR HB 2 62 LEU MD2 3.300 . 4.700 2.461 1.876 4.175 0.024 2 0 "[ . 1 . 2]" 1
757 2 44 TYR HA 2 62 LEU MD2 3.300 . 4.600 2.763 1.967 4.712 0.112 14 0 "[ . 1 . 2]" 1
758 2 62 LEU MD2 2 67 VAL HA 4.200 . 6.000 3.938 3.192 5.761 . 0 0 "[ . 1 . 2]" 1
759 2 44 TYR HB3 2 62 LEU MD2 5.000 . 6.000 3.905 3.331 6.058 0.058 14 0 "[ . 1 . 2]" 1
760 2 44 TYR HB2 2 62 LEU MD2 3.300 . 4.700 2.623 2.006 4.745 0.045 17 0 "[ . 1 . 2]" 1
761 2 62 LEU MD2 2 66 GLU QG 3.300 . 4.600 4.198 2.247 4.770 0.170 18 0 "[ . 1 . 2]" 1
762 2 62 LEU MD2 2 66 GLU HB2 3.600 . 5.300 5.029 2.980 6.164 0.864 20 8 "[* **. * **- . +]" 1
763 2 62 LEU HB2 2 62 LEU MD2 2.900 . 3.900 2.561 2.369 3.187 . 0 0 "[ . 1 . 2]" 1
764 2 43 THR MG 2 62 LEU MD2 2.700 . 3.600 2.260 1.953 3.400 . 0 0 "[ . 1 . 2]" 1
765 2 44 TYR QD 2 62 LEU MD2 3.700 . 5.400 3.340 2.136 4.923 . 0 0 "[ . 1 . 2]" 1
766 2 81 LEU HA 2 81 LEU MD2 4.400 . 6.000 3.860 3.785 3.937 . 0 0 "[ . 1 . 2]" 1
767 2 26 ARG QD 2 81 LEU MD2 4.200 . 6.000 3.858 3.320 4.571 . 0 0 "[ . 1 . 2]" 1
768 2 78 GLN HG2 2 81 LEU MD2 4.100 . 6.000 4.422 2.208 6.421 0.421 1 0 "[ . 1 . 2]" 1
769 2 81 LEU MD2 2 81 LEU HG 2.100 . 2.700 2.127 2.124 2.130 . 0 0 "[ . 1 . 2]" 1
770 2 81 LEU QB 2 81 LEU MD2 2.700 . 3.600 2.089 2.083 2.097 . 0 0 "[ . 1 . 2]" 1
771 2 23 ILE MG 2 81 LEU MD2 3.000 . 4.100 2.181 1.876 3.672 0.024 10 0 "[ . 1 . 2]" 1
772 2 27 PHE QE 2 81 LEU MD2 3.000 . 4.200 2.144 1.816 2.789 . 0 0 "[ . 1 . 2]" 1
773 2 27 PHE HZ 2 81 LEU MD2 3.600 . 5.200 3.524 2.652 4.335 . 0 0 "[ . 1 . 2]" 1
774 2 81 LEU QB 2 81 LEU HG 4.000 . 6.000 2.386 2.337 2.416 . 0 0 "[ . 1 . 2]" 1
775 2 5 LEU QD 2 5 LEU HG 3.900 . 5.800 1.894 1.889 1.896 0.111 9 0 "[ . 1 . 2]" 1
776 2 5 LEU HB2 2 5 LEU HG 2.100 . 2.600 2.711 2.414 3.022 0.422 18 0 "[ . 1 . 2]" 1
777 2 38 LEU HG 2 41 LEU QD 2.500 . 6.000 4.517 4.043 5.134 . 0 0 "[ . 1 . 2]" 1
778 2 5 LEU HA 2 5 LEU HG 3.600 . 5.200 3.008 2.445 3.718 . 0 0 "[ . 1 . 2]" 1
779 2 49 ARG QD 2 49 ARG HG2 2.400 . 3.100 2.345 2.159 2.498 . 0 0 "[ . 1 . 2]" 1
780 2 49 ARG QB 2 49 ARG HG2 2.100 . 2.700 2.338 2.155 2.475 . 0 0 "[ . 1 . 2]" 1
781 2 49 ARG HA 2 49 ARG HG3 2.700 . 3.600 2.711 2.412 3.340 . 0 0 "[ . 1 . 2]" 1
782 2 62 LEU HA 2 62 LEU HG 3.700 . 5.400 2.866 2.380 3.704 . 0 0 "[ . 1 . 2]" 1
783 2 49 ARG QB 2 49 ARG HG3 2.000 . 2.500 2.326 2.213 2.425 . 0 0 "[ . 1 . 2]" 1
784 2 62 LEU QD 2 62 LEU HG 3.000 . 4.100 1.893 1.889 1.898 0.011 2 0 "[ . 1 . 2]" 1
785 2 90 PRO HA 2 90 PRO QG 3.300 . 4.700 3.304 3.038 3.531 . 0 0 "[ . 1 . 2]" 1
786 2 90 PRO HD2 2 90 PRO QG 2.500 . 3.300 2.231 2.176 2.258 . 0 0 "[ . 1 . 2]" 1
787 2 90 PRO HB3 2 90 PRO QG 2.200 . 2.800 2.192 2.176 2.260 . 0 0 "[ . 1 . 2]" 1
788 2 82 LEU HB3 2 82 LEU HG 2.600 . 3.500 2.697 2.444 3.022 . 0 0 "[ . 1 . 2]" 1
789 2 87 GLN QB 2 90 PRO HG3 2.700 . 3.600 3.693 3.611 3.910 0.310 14 0 "[ . 1 . 2]" 1
790 2 60 PRO HD3 2 60 PRO HG2 2.700 . 3.600 2.823 2.672 2.998 . 0 0 "[ . 1 . 2]" 1
791 2 60 PRO HA 2 60 PRO HG2 4.100 . 6.000 3.920 3.851 4.027 . 0 0 "[ . 1 . 2]" 1
792 2 60 PRO HB3 2 60 PRO HG2 2.700 . 3.600 2.814 2.656 2.993 . 0 0 "[ . 1 . 2]" 1
793 2 10 PRO QD 2 10 PRO QG 2.100 . 2.600 1.957 1.941 1.976 . 0 0 "[ . 1 . 2]" 1
794 2 65 GLN HA 2 65 GLN HB2 2.400 . 3.100 2.459 2.365 2.499 . 0 0 "[ . 1 . 2]" 1
795 2 65 GLN HA 2 65 GLN HB3 2.900 . 4.000 3.023 3.012 3.029 . 0 0 "[ . 1 . 2]" 1
796 2 9 GLN HA 2 10 PRO QG 4.800 . 6.000 3.957 3.640 4.735 . 0 0 "[ . 1 . 2]" 1
797 2 60 PRO HB3 2 60 PRO HG3 2.100 . 2.600 2.314 2.300 2.326 . 0 0 "[ . 1 . 2]" 1
798 2 65 GLN HB3 2 65 GLN QG 2.200 . 2.800 2.284 2.159 2.397 . 0 0 "[ . 1 . 2]" 1
799 2 65 GLN HB2 2 65 GLN QG 2.200 . 2.800 2.338 2.288 2.378 . 0 0 "[ . 1 . 2]" 1
800 2 48 GLN HA 2 48 GLN HB2 2.700 . 3.600 2.468 2.418 2.513 . 0 0 "[ . 1 . 2]" 1
801 2 48 GLN HA 2 48 GLN HB3 3.000 . 4.100 3.021 3.015 3.025 . 0 0 "[ . 1 . 2]" 1
802 2 28 GLN HA 2 28 GLN HB2 2.300 . 3.000 2.467 2.416 2.532 . 0 0 "[ . 1 . 2]" 1
803 2 28 GLN HB2 2 28 GLN QG 2.100 . 2.700 2.354 2.309 2.413 . 0 0 "[ . 1 . 2]" 1
804 2 47 GLU HA 2 48 GLN HB2 3.900 . 5.800 5.805 5.726 5.868 0.068 20 0 "[ . 1 . 2]" 1
805 2 73 ARG QD 2 73 ARG HG2 2.400 . 3.100 2.276 2.159 2.397 . 0 0 "[ . 1 . 2]" 1
806 2 73 ARG HA 2 73 ARG HG2 3.100 . 4.300 3.016 2.434 3.843 . 0 0 "[ . 1 . 2]" 1
807 2 73 ARG HA 2 73 ARG HG3 3.000 . 4.100 3.204 2.442 3.873 . 0 0 "[ . 1 . 2]" 1
808 2 10 PRO HG2 2 11 VAL QG 4.000 . 6.000 3.300 2.321 5.193 . 0 0 "[ . 1 . 2]" 1
809 2 17 ILE HA 2 17 ILE HG12 3.600 . 5.300 3.134 2.956 3.389 . 0 0 "[ . 1 . 2]" 1
810 2 14 ASN HA 2 17 ILE HG12 4.200 . 6.000 2.620 2.169 2.869 . 0 0 "[ . 1 . 2]" 1
811 2 17 ILE MD 2 17 ILE HG12 2.400 . 3.100 2.116 2.112 2.119 . 0 0 "[ . 1 . 2]" 1
812 2 33 ILE HA 2 33 ILE HG12 3.000 . 4.100 2.676 2.366 3.288 . 0 0 "[ . 1 . 2]" 1
813 2 17 ILE HA 2 17 ILE HG13 4.500 . 6.000 3.740 3.640 3.789 . 0 0 "[ . 1 . 2]" 1
814 2 14 ASN HA 2 17 ILE HG13 4.400 . 6.000 2.958 2.637 3.479 . 0 0 "[ . 1 . 2]" 1
815 2 30 GLN HB3 2 33 ILE HG12 4.000 . 6.000 3.795 2.041 5.594 . 0 0 "[ . 1 . 2]" 1
816 2 33 ILE HG13 2 33 ILE MG 3.500 . 5.000 2.954 2.339 3.211 . 0 0 "[ . 1 . 2]" 1
817 2 33 ILE MD 2 33 ILE HG13 2.900 . 3.900 2.119 2.115 2.122 . 0 0 "[ . 1 . 2]" 1
818 2 30 GLN HB3 2 33 ILE HG13 3.400 . 4.900 2.775 2.137 4.044 . 0 0 "[ . 1 . 2]" 1
819 2 33 ILE HA 2 33 ILE HG13 3.800 . 5.600 3.246 2.935 3.905 . 0 0 "[ . 1 . 2]" 1
820 2 13 PHE HZ 2 17 ILE HG12 2.400 . 6.000 4.923 4.654 5.285 . 0 0 "[ . 1 . 2]" 1
821 2 26 ARG HB3 2 81 LEU QB 3.700 . 5.400 4.595 4.069 5.445 0.045 20 0 "[ . 1 . 2]" 1
822 2 26 ARG HB3 2 26 ARG QG 3.100 . 4.300 2.166 2.145 2.320 . 0 0 "[ . 1 . 2]" 1
823 2 6 GLN HB2 2 6 GLN QG 2.500 . 3.300 2.338 2.162 2.438 . 0 0 "[ . 1 . 2]" 1
824 2 40 ILE HG13 2 40 ILE MG 3.900 . 5.800 3.203 3.197 3.207 . 0 0 "[ . 1 . 2]" 1
825 2 70 GLN HB2 2 71 VAL QG 5.300 . 6.000 3.884 3.057 4.594 . 0 0 "[ . 1 . 2]" 1
826 2 64 GLU HB2 2 89 LEU QD 3.900 . 5.800 3.306 1.893 4.782 0.107 2 0 "[ . 1 . 2]" 1
827 2 40 ILE HA 2 40 ILE HG13 3.500 . 5.000 3.202 2.973 3.768 . 0 0 "[ . 1 . 2]" 1
828 2 52 LYS QD 2 52 LYS HG2 1.900 . 2.300 2.330 2.171 2.454 0.154 14 0 "[ . 1 . 2]" 1
829 2 35 LYS HA 2 35 LYS QD 4.200 . 6.000 3.844 2.387 4.236 . 0 0 "[ . 1 . 2]" 1
830 2 52 LYS HA 2 52 LYS QD 3.200 . 4.500 3.106 1.887 4.245 0.013 2 0 "[ . 1 . 2]" 1
831 2 32 ASP HA 2 35 LYS QD 3.800 . 5.600 3.482 1.960 4.115 0.040 4 0 "[ . 1 . 2]" 1
832 2 24 LYS HA 2 24 LYS QD 4.700 . 6.000 3.523 1.996 4.198 0.004 8 0 "[ . 1 . 2]" 1
833 2 43 THR HA 2 46 LYS QD 4.500 . 6.000 4.102 3.411 5.033 . 0 0 "[ . 1 . 2]" 1
834 2 24 LYS QD 2 24 LYS HG3 2.500 . 3.300 2.287 2.160 2.412 . 0 0 "[ . 1 . 2]" 1
835 2 24 LYS QD 2 34 TYR QE 3.600 . 5.300 4.352 3.404 5.279 . 0 0 "[ . 1 . 2]" 1
836 2 46 LYS QB 2 46 LYS QD 2.700 . 3.600 2.368 2.274 2.627 . 0 0 "[ . 1 . 2]" 1
837 2 23 ILE QG 2 81 LEU MD1 3.900 . 5.800 1.910 1.662 2.369 0.338 13 0 "[ . 1 . 2]" 1
838 2 17 ILE HB 2 17 ILE HG13 2.800 . 3.800 2.472 2.414 2.607 . 0 0 "[ . 1 . 2]" 1
839 2 62 LEU HB3 2 62 LEU MD2 2.300 . 3.000 1.959 1.891 2.098 . 0 0 "[ . 1 . 2]" 1
840 2 89 LEU HA 2 89 LEU HG 4.400 . 6.000 3.371 2.367 3.804 . 0 0 "[ . 1 . 2]" 1
841 2 89 LEU HB3 2 89 LEU HG 2.900 . 3.900 2.664 2.402 3.025 . 0 0 "[ . 1 . 2]" 1
842 2 6 GLN HA 2 6 GLN HB2 2.800 . 3.800 2.735 2.420 3.030 . 0 0 "[ . 1 . 2]" 1
843 2 39 GLU QB 2 39 GLU QG 1.800 . 2.200 2.040 1.978 2.087 . 0 0 "[ . 1 . 2]" 1
844 2 6 GLN HA 2 6 GLN HB3 2.400 . 3.100 2.775 2.421 3.032 . 0 0 "[ . 1 . 2]" 1
845 2 79 GLU HA 2 79 GLU QB 2.200 . 2.800 2.348 2.164 2.464 . 0 0 "[ . 1 . 2]" 1
846 2 70 GLN HB2 2 70 GLN HG3 2.700 . 3.600 2.426 2.362 2.501 . 0 0 "[ . 1 . 2]" 1
847 2 35 LYS QB 2 35 LYS QD 1.800 . 2.200 2.211 2.122 2.293 0.093 6 0 "[ . 1 . 2]" 1
848 2 45 GLN HA 2 45 GLN HB2 2.800 . 3.800 2.557 2.392 3.017 . 0 0 "[ . 1 . 2]" 1
849 2 62 LEU QD 2 66 GLU HB3 3.400 . 4.800 2.728 1.961 4.067 0.039 15 0 "[ . 1 . 2]" 1
850 2 11 VAL QG 2 12 GLU HB3 4.100 . 6.000 4.340 3.115 5.627 . 0 0 "[ . 1 . 2]" 1
851 2 50 ASN QB 2 53 GLU HB3 3.600 . 5.200 4.520 3.809 5.532 0.332 9 0 "[ . 1 . 2]" 1
852 2 50 ASN HA 2 53 GLU HB2 3.100 . 4.300 2.985 2.256 4.026 . 0 0 "[ . 1 . 2]" 1
853 2 9 GLN HB2 2 10 PRO QD 5.300 . 6.000 4.121 2.745 4.496 . 0 0 "[ . 1 . 2]" 1
854 2 9 GLN HB3 2 10 PRO QD 5.000 . 6.000 3.750 1.994 4.468 . 0 0 "[ . 1 . 2]" 1
855 2 9 GLN HB2 2 9 GLN HB3 1.700 . 2.200 1.701 1.682 1.716 . 0 0 "[ . 1 . 2]" 1
856 2 66 GLU HA 2 66 GLU HB2 2.600 . 3.400 2.707 2.450 3.027 . 0 0 "[ . 1 . 2]" 1
857 2 53 GLU HA 2 53 GLU HB3 2.500 . 3.300 2.955 2.478 3.031 . 0 0 "[ . 1 . 2]" 1
858 2 73 ARG QB 2 73 ARG HG2 2.200 . 2.800 2.328 2.161 2.411 . 0 0 "[ . 1 . 2]" 1
859 2 73 ARG QB 2 73 ARG QD 2.800 . 3.800 2.320 2.096 2.780 . 0 0 "[ . 1 . 2]" 1
860 2 70 GLN HA 2 73 ARG QB 3.300 . 4.600 2.866 2.078 4.165 . 0 0 "[ . 1 . 2]" 1
861 2 22 LYS QD 2 22 LYS HE3 2.600 . 3.500 2.350 2.169 2.406 . 0 0 "[ . 1 . 2]" 1
862 2 19 TYR HA 2 22 LYS QD 4.000 . 6.000 3.221 2.861 3.683 . 0 0 "[ . 1 . 2]" 1
863 2 22 LYS HB3 2 22 LYS QD 2.200 . 2.800 2.431 2.292 2.559 . 0 0 "[ . 1 . 2]" 1
864 2 22 LYS QD 2 22 LYS HG3 2.100 . 2.600 2.362 2.304 2.445 . 0 0 "[ . 1 . 2]" 1
865 2 22 LYS HD3 2 81 LEU MD1 2.800 . 3.800 2.871 1.998 3.616 . 0 0 "[ . 1 . 2]" 1
866 2 19 TYR QD 2 22 LYS QD 3.500 . 5.000 2.608 1.993 3.238 0.007 5 0 "[ . 1 . 2]" 1
867 2 76 LYS HA 2 76 LYS QD 3.500 . 5.000 3.782 1.966 4.279 0.034 13 0 "[ . 1 . 2]" 1
868 2 76 LYS HB3 2 76 LYS QD 2.100 . 2.600 2.545 2.338 3.303 0.703 5 2 "[ + 1 - . 2]" 1
869 2 73 ARG HA 2 73 ARG QB 2.300 . 3.000 2.352 2.167 2.481 . 0 0 "[ . 1 . 2]" 1
870 2 30 GLN HA 2 30 GLN HB3 3.000 . 4.100 2.585 2.374 3.024 . 0 0 "[ . 1 . 2]" 1
871 2 30 GLN HB3 2 30 GLN HG3 2.500 . 3.300 2.748 2.439 3.011 . 0 0 "[ . 1 . 2]" 1
872 2 30 GLN HB3 2 33 ILE MD 4.200 . 6.000 2.905 2.001 3.610 . 0 0 "[ . 1 . 2]" 1
873 2 64 GLU HA 2 67 VAL HB 2.800 . 3.800 2.707 2.236 3.126 . 0 0 "[ . 1 . 2]" 1
874 2 67 VAL HB 2 89 LEU QD 3.200 . 4.500 3.784 2.804 4.496 . 0 0 "[ . 1 . 2]" 1
875 2 68 TYR HA 2 71 VAL HB 3.300 . 4.600 3.148 2.222 4.639 0.039 8 0 "[ . 1 . 2]" 1
876 2 10 PRO HB2 2 10 PRO QD 4.300 . 6.000 3.442 2.925 3.553 . 0 0 "[ . 1 . 2]" 1
877 2 11 VAL HA 2 11 VAL HB 2.700 . 3.600 2.508 2.361 3.030 . 0 0 "[ . 1 . 2]" 1
878 2 23 ILE HB 2 24 LYS HB2 3.600 . 5.200 4.561 3.718 4.934 . 0 0 "[ . 1 . 2]" 1
879 2 23 ILE HB 2 24 LYS HB3 4.000 . 6.000 5.432 4.772 5.852 . 0 0 "[ . 1 . 2]" 1
880 2 90 PRO HB2 2 90 PRO HD2 3.800 . 5.600 3.307 2.935 4.061 . 0 0 "[ . 1 . 2]" 1
881 2 90 PRO HB2 2 90 PRO HD3 3.700 . 5.400 3.974 3.874 4.112 . 0 0 "[ . 1 . 2]" 1
882 2 76 LYS HA 2 76 LYS HB3 2.400 . 3.100 2.811 2.350 3.032 . 0 0 "[ . 1 . 2]" 1
883 2 58 TYR QE 2 60 PRO HB3 4.400 . 6.000 3.958 2.402 5.196 . 0 0 "[ . 1 . 2]" 1
884 2 28 GLN HA 2 28 GLN QG 3.100 . 4.300 2.651 2.360 3.338 . 0 0 "[ . 1 . 2]" 1
885 2 28 GLN HB3 2 28 GLN QG 2.100 . 2.600 2.265 2.156 2.372 . 0 0 "[ . 1 . 2]" 1
886 2 9 GLN HA 2 9 GLN QG 3.400 . 4.900 2.801 2.322 3.345 . 0 0 "[ . 1 . 2]" 1
887 2 30 GLN HA 2 30 GLN HG2 2.900 . 4.000 3.001 2.491 3.748 . 0 0 "[ . 1 . 2]" 1
888 2 30 GLN HA 2 30 GLN HG3 3.200 . 4.500 3.246 2.276 3.809 . 0 0 "[ . 1 . 2]" 1
889 2 30 GLN HB2 2 30 GLN HG3 2.100 . 2.600 2.510 2.352 3.013 0.413 8 0 "[ . 1 . 2]" 1
890 2 65 GLN HB2 2 65 GLN HG3 2.300 . 3.000 2.631 2.373 3.010 0.010 12 0 "[ . 1 . 2]" 1
891 2 70 GLN HA 2 70 GLN HG2 2.600 . 3.500 2.750 2.410 3.234 . 0 0 "[ . 1 . 2]" 1
892 2 69 ALA MB 2 70 GLN HG2 4.200 . 6.000 3.731 3.029 4.509 . 0 0 "[ . 1 . 2]" 1
893 2 30 GLN HG2 2 33 ILE MD 3.600 . 5.200 4.059 2.418 5.520 0.320 9 0 "[ . 1 . 2]" 1
894 2 5 LEU QD 2 9 GLN QG 3.600 . 6.000 4.266 2.247 5.612 . 0 0 "[ . 1 . 2]" 1
895 2 65 GLN QG 2 69 ALA MB 4.200 . 6.000 3.449 2.863 3.781 . 0 0 "[ . 1 . 2]" 1
896 2 65 GLN HA 2 65 GLN HG3 3.000 . 4.100 2.771 2.498 3.263 . 0 0 "[ . 1 . 2]" 1
897 2 66 GLU HA 2 66 GLU QG 2.800 . 3.700 2.787 2.333 3.061 . 0 0 "[ . 1 . 2]" 1
898 2 12 GLU HA 2 12 GLU QG 2.800 . 3.800 2.683 2.276 3.500 . 0 0 "[ . 1 . 2]" 1
899 2 53 GLU HB2 2 53 GLU HG2 2.400 . 3.100 2.879 2.418 3.009 . 0 0 "[ . 1 . 2]" 1
900 2 30 GLN HB3 2 33 ILE HB 3.900 . 5.800 3.629 2.345 4.419 . 0 0 "[ . 1 . 2]" 1
901 2 33 ILE HB 2 33 ILE MD 3.400 . 4.800 2.692 2.411 3.246 . 0 0 "[ . 1 . 2]" 1
902 2 19 TYR QD 2 84 GLU QG 4.900 . 6.000 3.510 2.208 4.924 . 0 0 "[ . 1 . 2]" 1
903 2 71 VAL HA 2 71 VAL HB 2.900 . 3.900 2.767 2.480 3.030 . 0 0 "[ . 1 . 2]" 1
904 2 80 ASP HA 2 80 ASP HB2 2.400 . 3.100 2.703 2.272 3.030 . 0 0 "[ . 1 . 2]" 1
905 2 77 ASN HA 2 77 ASN HB3 3.000 . 4.100 2.705 2.380 3.032 . 0 0 "[ . 1 . 2]" 1
906 2 19 TYR HB3 2 19 TYR QD 2.800 . 3.800 2.293 2.282 2.314 . 0 0 "[ . 1 . 2]" 1
907 2 34 TYR HB3 2 34 TYR QD 2.700 . 3.600 2.357 2.281 2.436 . 0 0 "[ . 1 . 2]" 1
908 2 14 ASN HA 2 17 ILE HB 2.900 . 3.900 2.732 2.318 3.272 . 0 0 "[ . 1 . 2]" 1
909 2 64 GLU HA 2 64 GLU HG3 3.500 . 5.000 3.310 2.391 4.269 . 0 0 "[ . 1 . 2]" 1
910 2 23 ILE HB 2 23 ILE QG 2.500 . 3.300 2.370 2.352 2.387 . 0 0 "[ . 1 . 2]" 1
911 2 40 ILE HB 2 40 ILE MG 2.200 . 2.800 2.127 2.118 2.133 . 0 0 "[ . 1 . 2]" 1
912 2 40 ILE HB 2 40 ILE MD 2.500 . 3.300 2.424 2.393 2.476 . 0 0 "[ . 1 . 2]" 1
913 2 18 ASN QB 2 21 ASN HB3 1.600 . 6.000 4.423 3.541 6.013 0.013 19 0 "[ . 1 . 2]" 1
914 2 26 ARG QD 2 26 ARG QG 2.900 . 3.900 2.032 1.999 2.091 . 0 0 "[ . 1 . 2]" 1
915 2 41 LEU HB2 2 41 LEU QD 3.800 . 5.200 2.186 2.103 2.303 . 0 0 "[ . 1 . 2]" 1
916 2 58 TYR HB2 2 58 TYR QD 2.800 . 3.800 2.506 2.357 2.710 . 0 0 "[ . 1 . 2]" 1
917 2 33 ILE HA 2 33 ILE MD 3.300 . 4.700 3.295 1.968 3.846 . 0 0 "[ . 1 . 2]" 1
918 2 30 GLN HB3 2 33 ILE MD 3.000 . 4.100 2.802 1.990 3.545 . 0 0 "[ . 1 . 2]" 1
919 2 30 GLN HB2 2 33 ILE MD 3.100 . 4.300 3.272 2.281 4.352 0.052 19 0 "[ . 1 . 2]" 1
920 2 33 ILE HB 2 33 ILE MD 2.300 . 2.900 2.028 1.990 2.096 . 0 0 "[ . 1 . 2]" 1
921 2 33 ILE MD 2 33 ILE HG12 2.400 . 3.100 2.117 2.113 2.121 . 0 0 "[ . 1 . 2]" 1
922 2 33 ILE MD 2 33 ILE MG 2.500 . 3.300 1.946 1.904 2.017 . 0 0 "[ . 1 . 2]" 1
923 2 27 PHE QE 2 33 ILE MD 3.600 . 5.200 3.243 2.623 4.144 . 0 0 "[ . 1 . 2]" 1
924 2 74 LEU HB2 2 74 LEU HG 2.600 . 3.500 2.824 2.298 3.023 . 0 0 "[ . 1 . 2]" 1
925 2 74 LEU HB2 2 74 LEU QD 2.700 . 3.600 2.175 2.107 2.472 . 0 0 "[ . 1 . 2]" 1
926 2 5 LEU HB3 2 5 LEU QD 2.900 . 3.900 2.184 2.113 2.380 . 0 0 "[ . 1 . 2]" 1
927 2 71 VAL HA 2 74 LEU HB2 3.300 . 4.600 3.055 2.329 3.859 . 0 0 "[ . 1 . 2]" 1
928 2 14 ASN HA 2 17 ILE MD 3.800 . 5.600 4.118 3.808 4.230 . 0 0 "[ . 1 . 2]" 1
929 2 17 ILE HA 2 17 ILE MD 2.800 . 3.800 2.051 1.965 2.225 . 0 0 "[ . 1 . 2]" 1
930 2 14 ASN HB2 2 17 ILE MD 5.000 . 6.000 6.117 5.595 6.704 0.704 10 2 "[ . + - 2]" 1
931 2 17 ILE HB 2 17 ILE MD 3.300 . 4.700 3.235 3.213 3.244 . 0 0 "[ . 1 . 2]" 1
932 2 17 ILE MD 2 17 ILE HG12 2.000 . 2.500 1.843 1.791 1.948 . 0 0 "[ . 1 . 2]" 1
933 2 13 PHE QR 2 17 ILE MD 3.100 . 4.300 2.734 2.421 2.986 . 0 0 "[ . 1 . 2]" 1
934 2 79 GLU HA 2 82 LEU HB3 3.700 . 5.400 3.388 2.532 4.821 . 0 0 "[ . 1 . 2]" 1
935 2 20 VAL QG 2 24 LYS QE 3.200 . 4.500 3.302 2.069 4.488 . 0 0 "[ . 1 . 2]" 1
936 2 24 LYS QD 2 24 LYS QE 2.200 . 2.800 2.053 1.994 2.092 . 0 0 "[ . 1 . 2]" 1
937 2 22 LYS QD 2 22 LYS HE2 2.600 . 3.400 2.299 2.165 2.418 . 0 0 "[ . 1 . 2]" 1
938 2 22 LYS HE2 2 22 LYS HG3 2.600 . 3.500 3.096 2.214 3.774 0.274 5 0 "[ . 1 . 2]" 1
939 2 24 LYS QE 2 24 LYS QG 2.800 . 3.800 2.284 2.117 2.810 . 0 0 "[ . 1 . 2]" 1
940 2 24 LYS QE 2 34 TYR QE 3.600 . 5.200 2.897 1.977 3.680 0.023 1 0 "[ . 1 . 2]" 1
941 2 22 LYS HE2 2 81 LEU MD1 3.400 . 4.800 3.655 2.245 5.194 0.394 1 0 "[ . 1 . 2]" 1
942 2 22 LYS HE3 2 81 LEU MD1 3.900 . 5.800 4.018 2.406 4.883 . 0 0 "[ . 1 . 2]" 1
943 2 22 LYS HE3 2 22 LYS HG2 3.600 . 5.200 3.183 2.427 4.239 . 0 0 "[ . 1 . 2]" 1
944 2 22 LYS HE2 2 22 LYS HG2 3.200 . 4.500 3.196 2.443 4.192 . 0 0 "[ . 1 . 2]" 1
945 2 76 LYS QE 2 76 LYS QG 2.800 . 3.800 2.332 2.127 2.806 . 0 0 "[ . 1 . 2]" 1
946 2 63 THR HB 2 63 THR MG 2.400 . 3.100 2.134 2.128 2.139 . 0 0 "[ . 1 . 2]" 1
947 2 49 ARG QD 2 49 ARG HG3 2.400 . 3.100 2.273 2.141 2.421 . 0 0 "[ . 1 . 2]" 1
948 2 49 ARG QB 2 49 ARG QD 2.300 . 2.900 2.257 2.096 2.683 . 0 0 "[ . 1 . 2]" 1
949 2 70 GLN HA 2 73 ARG QD 3.300 . 4.700 3.576 2.317 4.734 0.034 15 0 "[ . 1 . 2]" 1
950 2 73 ARG HA 2 73 ARG QD 3.900 . 5.800 3.533 1.993 4.571 0.007 5 0 "[ . 1 . 2]" 1
951 2 73 ARG HB2 2 73 ARG QD 2.200 . 2.800 2.098 2.019 2.242 . 0 0 "[ . 1 . 2]" 1
952 2 62 LEU HB2 2 62 LEU QD 2.800 . 3.800 2.144 2.085 2.351 . 0 0 "[ . 1 . 2]" 1
953 2 62 LEU HB3 2 62 LEU QD 2.700 . 3.600 2.202 2.069 2.316 . 0 0 "[ . 1 . 2]" 1
954 2 23 ILE MD 2 75 PHE HZ 3.300 . 4.600 2.997 2.415 4.498 . 0 0 "[ . 1 . 2]" 1
955 2 20 VAL HA 2 23 ILE MD 2.800 . 3.800 2.378 1.884 2.803 . 0 0 "[ . 1 . 2]" 1
956 2 23 ILE HA 2 23 ILE MD 4.600 . 6.000 3.858 3.828 3.884 . 0 0 "[ . 1 . 2]" 1
957 2 23 ILE HB 2 23 ILE MD 2.700 . 3.600 2.427 2.398 2.477 . 0 0 "[ . 1 . 2]" 1
958 2 23 ILE MD 2 81 LEU MD1 3.700 . 5.400 3.416 3.196 3.663 . 0 0 "[ . 1 . 2]" 1
959 2 23 ILE MD 2 81 LEU MD2 3.300 . 4.600 3.426 3.057 4.571 . 0 0 "[ . 1 . 2]" 1
960 2 23 ILE MD 2 85 PHE QE 2.900 . 3.900 3.965 3.880 4.065 0.165 1 0 "[ . 1 . 2]" 1
961 2 19 TYR QD 2 23 ILE MD 3.100 . 4.300 3.082 2.884 3.384 . 0 0 "[ . 1 . 2]" 1
962 2 19 TYR QE 2 23 ILE MD 2.600 . 3.400 2.215 2.032 2.419 . 0 0 "[ . 1 . 2]" 1
963 2 40 ILE HA 2 40 ILE MD 4.400 . 6.000 3.928 3.775 4.192 . 0 0 "[ . 1 . 2]" 1
964 2 40 ILE MD 2 71 VAL HA 3.100 . 4.300 3.206 2.446 4.187 . 0 0 "[ . 1 . 2]" 1
965 2 40 ILE MD 2 70 GLN HG3 4.500 . 6.000 4.497 2.761 5.265 . 0 0 "[ . 1 . 2]" 1
966 2 40 ILE MD 2 70 GLN HG2 4.200 . 6.000 4.777 3.986 5.457 . 0 0 "[ . 1 . 2]" 1
967 2 40 ILE MD 2 70 GLN HB2 2.500 . 3.300 2.899 2.341 3.326 0.026 2 0 "[ . 1 . 2]" 1
968 2 40 ILE HB 2 40 ILE MD 2.200 . 2.800 1.994 1.986 2.007 . 0 0 "[ . 1 . 2]" 1
969 2 40 ILE MD 2 40 ILE HG12 2.300 . 2.900 2.120 2.117 2.125 . 0 0 "[ . 1 . 2]" 1
970 2 37 PHE QD 2 40 ILE MD 4.500 . 6.000 2.790 1.994 3.796 0.006 2 0 "[ . 1 . 2]" 1
971 2 33 ILE HB 2 33 ILE MG 2.200 . 2.800 2.065 1.974 2.104 . 0 0 "[ . 1 . 2]" 1
972 2 33 ILE MG 2 74 LEU HA 4.000 . 6.000 4.699 4.040 5.754 . 0 0 "[ . 1 . 2]" 1
973 2 33 ILE MG 2 74 LEU HB2 3.700 . 5.400 4.974 4.107 6.019 0.619 4 1 "[ +. 1 . 2]" 1
974 2 33 ILE HG12 2 33 ILE MG 2.900 . 4.000 2.644 2.362 3.207 . 0 0 "[ . 1 . 2]" 1
975 2 27 PHE QE 2 33 ILE MG 3.600 . 5.200 3.154 2.259 3.839 . 0 0 "[ . 1 . 2]" 1
976 2 33 ILE MG 2 75 PHE QE 3.000 . 4.100 2.385 1.870 3.111 0.030 19 0 "[ . 1 . 2]" 1
977 2 17 ILE MG 2 18 ASN HA 3.200 . 4.400 3.422 3.078 3.711 . 0 0 "[ . 1 . 2]" 1
978 2 17 ILE HA 2 17 ILE MG 2.900 . 3.900 2.401 2.304 2.471 . 0 0 "[ . 1 . 2]" 1
979 2 17 ILE HB 2 17 ILE MG 2.400 . 3.100 2.126 2.119 2.129 . 0 0 "[ . 1 . 2]" 1
980 2 17 ILE MD 2 17 ILE MG 2.600 . 3.500 2.034 1.934 2.285 . 0 0 "[ . 1 . 2]" 1
981 2 72 ALA MB 2 82 LEU HG 3.100 . 4.300 3.777 2.623 4.435 0.135 18 0 "[ . 1 . 2]" 1
982 2 69 ALA MB 2 72 ALA MB 3.200 . 4.500 3.991 3.662 4.231 . 0 0 "[ . 1 . 2]" 1
983 2 68 TYR QE 2 72 ALA MB 3.800 . 5.600 3.997 3.696 4.263 . 0 0 "[ . 1 . 2]" 1
984 2 23 ILE MG 2 75 PHE HZ 3.300 . 4.700 2.698 2.325 3.162 . 0 0 "[ . 1 . 2]" 1
985 2 23 ILE MG 2 34 TYR HA 4.000 . 6.000 3.364 2.759 3.818 . 0 0 "[ . 1 . 2]" 1
986 2 23 ILE HA 2 23 ILE MG 2.600 . 3.500 2.359 2.327 2.395 . 0 0 "[ . 1 . 2]" 1
987 2 23 ILE QG 2 23 ILE MG 2.500 . 3.300 2.309 2.263 2.340 . 0 0 "[ . 1 . 2]" 1
988 2 23 ILE MD 2 23 ILE MG 2.500 . 3.300 1.909 1.851 1.955 . 0 0 "[ . 1 . 2]" 1
989 2 13 PHE QR 2 16 ALA MB 3.800 . 5.700 3.590 3.185 4.360 . 0 0 "[ . 1 . 2]" 1
990 2 16 ALA MB 2 17 ILE HG12 3.800 . 5.600 3.395 3.258 3.777 . 0 0 "[ . 1 . 2]" 1
991 2 16 ALA MB 2 17 ILE HG13 3.700 . 5.400 4.964 4.836 5.190 . 0 0 "[ . 1 . 2]" 1
992 2 51 ALA MB 2 58 TYR QE 3.800 . 5.600 3.679 2.129 4.523 . 0 0 "[ . 1 . 2]" 1
993 2 51 ALA MB 2 60 PRO HG3 2.800 . 3.800 2.700 2.001 3.848 0.048 6 0 "[ . 1 . 2]" 1
994 2 51 ALA MB 2 60 PRO HB3 3.200 . 4.400 3.567 2.486 4.431 0.031 20 0 "[ . 1 . 2]" 1
995 2 51 ALA MB 2 58 TYR HB2 4.800 . 6.000 4.687 3.580 5.737 . 0 0 "[ . 1 . 2]" 1
996 2 51 ALA MB 2 58 TYR HB3 4.000 . 6.000 3.415 2.426 5.500 . 0 0 "[ . 1 . 2]" 1
997 2 51 ALA HA 2 51 ALA MB 2.100 . 2.700 2.128 2.124 2.132 . 0 0 "[ . 1 . 2]" 1
998 2 51 ALA MB 2 60 PRO HD3 2.500 . 3.300 2.496 2.016 3.437 0.137 6 0 "[ . 1 . 2]" 1
999 2 68 TYR QD 2 69 ALA MB 4.700 . 6.000 4.356 3.916 4.784 . 0 0 "[ . 1 . 2]" 1
1000 2 33 ILE MG 2 36 ALA MB 4.000 . 6.000 3.681 3.342 4.167 . 0 0 "[ . 1 . 2]" 1
1001 2 36 ALA MB 2 74 LEU MD1 2.400 . 3.100 2.526 1.973 3.235 0.135 4 0 "[ . 1 . 2]" 1
1002 2 33 ILE HA 2 36 ALA MB 2.800 . 3.800 2.825 2.516 3.251 . 0 0 "[ . 1 . 2]" 1
1003 2 69 ALA HA 2 69 ALA MB 2.200 . 2.800 2.129 2.126 2.132 . 0 0 "[ . 1 . 2]" 1
1004 2 66 GLU HA 2 69 ALA MB 2.500 . 3.300 2.721 2.255 3.015 . 0 0 "[ . 1 . 2]" 1
1005 2 68 TYR HB3 2 69 ALA MB 4.000 . 6.000 4.019 3.925 4.124 . 0 0 "[ . 1 . 2]" 1
1006 2 69 ALA MB 2 70 GLN HG3 3.700 . 5.400 3.931 3.025 4.939 . 0 0 "[ . 1 . 2]" 1
1007 2 65 GLN HG3 2 69 ALA MB 3.600 . 5.200 4.124 3.396 4.824 . 0 0 "[ . 1 . 2]" 1
1008 2 16 ALA MB 2 88 PHE HZ 3.600 . 5.200 3.697 2.957 5.153 . 0 0 "[ . 1 . 2]" 1
1009 2 13 PHE HB3 2 16 ALA MB 4.900 . 6.000 4.967 4.704 5.656 . 0 0 "[ . 1 . 2]" 1
1010 2 61 ALA MB 2 62 LEU HA 4.300 . 6.000 4.037 3.921 4.354 . 0 0 "[ . 1 . 2]" 1
1011 2 54 ALA MB 2 58 TYR HB3 2.800 . 3.800 2.662 1.886 3.650 . 0 0 "[ . 1 . 2]" 1
1012 2 54 ALA MB 2 58 TYR HB2 2.900 . 3.900 2.610 1.951 3.918 0.018 6 0 "[ . 1 . 2]" 1
1013 2 54 ALA MB 2 58 TYR QD 3.000 . 4.100 3.567 2.254 3.958 . 0 0 "[ . 1 . 2]" 1
1014 2 47 GLU QG 2 61 ALA MB 3.000 . 4.100 3.557 2.844 4.199 0.099 2 0 "[ . 1 . 2]" 1
1015 2 47 GLU QB 2 61 ALA MB 3.200 . 4.500 4.244 2.948 4.562 0.062 10 0 "[ . 1 . 2]" 1
1016 2 13 PHE HA 2 13 PHE QB 3.000 . 4.100 2.374 2.342 2.399 . 0 0 "[ . 1 . 2]" 1
1017 2 54 ALA MB 2 58 TYR HA 4.200 . 6.000 4.169 3.401 5.430 . 0 0 "[ . 1 . 2]" 1
1018 2 23 ILE HA 2 26 ARG HB3 4.100 . 6.000 2.892 2.380 4.407 . 0 0 "[ . 1 . 2]" 1
1019 2 28 GLN HG2 2 29 GLY HA2 3.700 . 5.400 4.595 3.358 5.832 0.432 7 0 "[ . 1 . 2]" 1
1020 2 2 ASN HA 2 2 ASN QB 2.500 . 3.300 2.364 2.181 2.456 . 0 0 "[ . 1 . 2]" 1
1021 2 13 PHE HB3 2 13 PHE QD 2.900 . 3.900 2.302 2.278 2.360 . 0 0 "[ . 1 . 2]" 1
1022 2 14 ASN HA 2 14 ASN HB2 2.300 . 3.000 2.622 2.385 3.024 0.024 10 0 "[ . 1 . 2]" 1
1023 2 14 ASN HA 2 14 ASN HB3 2.400 . 3.100 2.886 2.498 3.034 . 0 0 "[ . 1 . 2]" 1
1024 2 22 LYS HA 2 22 LYS QD 3.400 . 4.800 4.065 3.853 4.287 . 0 0 "[ . 1 . 2]" 1
1025 2 22 LYS HB3 2 81 LEU MD1 3.400 . 4.800 3.219 2.769 3.663 . 0 0 "[ . 1 . 2]" 1
1026 2 23 ILE MD 2 34 TYR QD 3.500 . 5.100 3.695 3.153 4.170 . 0 0 "[ . 1 . 2]" 1
1027 2 24 LYS HA 2 24 LYS HG2 3.300 . 4.700 2.843 2.227 3.864 . 0 0 "[ . 1 . 2]" 1
1028 2 24 LYS QD 2 24 LYS QG 2.300 . 3.000 2.067 2.003 2.097 . 0 0 "[ . 1 . 2]" 1
1029 2 50 ASN QB 2 58 TYR QE 4.300 . 6.000 3.038 2.329 5.146 . 0 0 "[ . 1 . 2]" 1
1030 2 30 GLN HB3 2 33 ILE HB 3.900 . 5.800 2.785 2.082 3.664 . 0 0 "[ . 1 . 2]" 1
1031 2 30 GLN HB2 2 33 ILE HB 4.200 . 6.000 3.219 1.976 4.854 0.024 18 0 "[ . 1 . 2]" 1
1032 2 30 GLN HG2 2 33 ILE HB 3.800 . 5.600 4.302 2.181 5.157 . 0 0 "[ . 1 . 2]" 1
1033 2 43 THR HA 2 46 LYS QB 3.300 . 4.700 2.736 2.339 3.117 . 0 0 "[ . 1 . 2]" 1
1034 2 41 LEU HA 2 41 LEU HB3 2.800 . 3.800 2.768 2.437 3.024 . 0 0 "[ . 1 . 2]" 1
1035 2 48 GLN HA 2 48 GLN HG3 3.100 . 4.300 2.810 2.447 3.454 . 0 0 "[ . 1 . 2]" 1
1036 2 48 GLN HA 2 48 GLN HG2 3.600 . 5.200 3.342 2.395 3.792 . 0 0 "[ . 1 . 2]" 1
1037 2 39 GLU HA 2 39 GLU QG 2.300 . 2.900 2.525 2.250 2.961 0.061 1 0 "[ . 1 . 2]" 1
1038 2 45 GLN HA 2 48 GLN HG3 4.100 . 6.000 5.224 4.153 6.318 0.318 5 0 "[ . 1 . 2]" 1
1039 2 49 ARG HA 2 49 ARG QB 2.400 . 3.100 2.355 2.269 2.488 . 0 0 "[ . 1 . 2]" 1
1040 2 49 ARG HA 2 49 ARG HB3 2.800 . 3.700 3.019 2.980 3.029 . 0 0 "[ . 1 . 2]" 1
1041 2 49 ARG HB3 2 49 ARG QD 3.100 . 4.300 2.640 2.190 3.459 . 0 0 "[ . 1 . 2]" 1
1042 2 49 ARG HB3 2 49 ARG HG2 2.400 . 3.100 2.469 2.332 2.648 . 0 0 "[ . 1 . 2]" 1
1043 2 49 ARG HB3 2 49 ARG HG3 2.400 . 3.100 2.923 2.458 3.012 . 0 0 "[ . 1 . 2]" 1
1044 2 60 PRO HA 2 60 PRO QD 4.200 . 6.000 3.362 3.158 3.471 . 0 0 "[ . 1 . 2]" 1
1045 2 64 GLU HG3 2 89 LEU QD 3.700 . 5.400 3.844 2.403 5.065 . 0 0 "[ . 1 . 2]" 1
1046 2 65 GLN HA 2 65 GLN HG2 3.600 . 5.200 3.346 2.995 3.854 . 0 0 "[ . 1 . 2]" 1
1047 2 45 GLN HA 2 48 GLN HB2 3.400 . 4.800 3.566 2.989 4.422 . 0 0 "[ . 1 . 2]" 1
1048 2 33 ILE MG 2 74 LEU HG 3.800 . 5.600 3.109 1.989 5.629 0.029 11 0 "[ . 1 . 2]" 1
1049 2 27 PHE HZ 2 75 PHE HA 3.500 . 5.000 3.131 2.191 3.990 . 0 0 "[ . 1 . 2]" 1
1050 2 78 GLN HA 2 78 GLN HG2 4.000 . 6.000 3.289 2.629 3.805 . 0 0 "[ . 1 . 2]" 1
1051 2 82 LEU HB2 2 82 LEU HG 2.500 . 3.300 2.556 2.310 3.022 . 0 0 "[ . 1 . 2]" 1
1052 2 80 ASP HA 2 83 SER QB 2.300 . 2.900 2.641 2.336 3.003 0.103 5 0 "[ . 1 . 2]" 1
1053 2 84 GLU HA 2 84 GLU HB3 2.300 . 3.000 2.606 2.394 3.028 0.028 2 0 "[ . 1 . 2]" 1
1054 2 44 TYR HA 2 62 LEU HB3 4.100 . 6.000 2.921 2.221 3.740 . 0 0 "[ . 1 . 2]" 1
1055 2 53 GLU HA 2 53 GLU HG3 2.800 . 3.800 2.663 2.310 3.643 . 0 0 "[ . 1 . 2]" 1
1056 2 12 GLU QG 2 88 PHE HA 3.400 . 6.000 5.147 3.792 6.100 0.100 2 0 "[ . 1 . 2]" 1
1057 2 45 GLN HA 2 45 GLN HB3 3.000 . 4.200 2.919 2.423 3.027 . 0 0 "[ . 1 . 2]" 1
1058 2 87 GLN HA 2 87 GLN HB3 2.700 . 3.600 2.456 2.410 2.527 . 0 0 "[ . 1 . 2]" 1
1059 2 19 TYR QD 2 84 GLU HB3 4.700 . 6.000 3.051 2.443 3.648 . 0 0 "[ . 1 . 2]" 1
1060 2 60 PRO HA 2 60 PRO HG3 3.800 . 5.600 3.476 2.952 4.027 . 0 0 "[ . 1 . 2]" 1
1061 2 50 ASN HA 2 53 GLU HB3 2.700 . 3.600 2.652 1.943 4.126 0.526 9 1 "[ . +1 . 2]" 1
1062 2 76 LYS HB3 2 76 LYS QG 2.500 . 3.300 2.316 2.160 2.384 . 0 0 "[ . 1 . 2]" 1
1063 2 78 GLN HB3 2 78 GLN HG3 2.900 . 4.000 2.491 2.408 3.008 . 0 0 "[ . 1 . 2]" 1
1064 2 81 LEU HA 2 81 LEU HG 3.500 . 5.100 2.955 2.802 3.078 . 0 0 "[ . 1 . 2]" 1
1065 2 43 THR MG 2 46 LYS QE 4.700 . 6.000 2.818 2.262 3.362 . 0 0 "[ . 1 . 2]" 1
1066 1 35 LEU HA 1 35 LEU HB2 3.000 . 4.100 2.938 2.377 3.029 . 0 0 "[ . 1 . 2]" 1
1067 1 14 PHE HA 1 14 PHE QD 3.400 . 4.800 2.705 2.227 3.736 . 0 0 "[ . 1 . 2]" 1
1068 1 34 GLU QG 1 35 LEU QD 3.000 . 4.100 2.871 1.891 4.043 0.109 15 0 "[ . 1 . 2]" 1
1069 1 22 MET HA 1 27 THR HB 2.100 . 2.600 2.653 2.491 2.773 0.173 12 0 "[ . 1 . 2]" 1
1070 1 16 LEU QB 1 16 LEU QD 2.700 . 3.600 1.929 1.875 2.079 0.025 20 0 "[ . 1 . 2]" 1
1071 1 2 ASN HA 1 2 ASN HB3 2.900 . 3.900 2.658 2.412 3.029 . 0 0 "[ . 1 . 2]" 1
1072 1 5 TYR HA 1 5 TYR QD 3.300 . 4.700 2.831 2.231 3.765 . 0 0 "[ . 1 . 2]" 1
1073 1 5 TYR HA 1 5 TYR QB 2.600 . 3.500 2.347 2.178 2.418 . 0 0 "[ . 1 . 2]" 1
1074 1 5 TYR QB 1 5 TYR QD 2.700 . 3.600 2.143 2.134 2.164 . 0 0 "[ . 1 . 2]" 1
1075 1 6 VAL HA 1 6 VAL QG 2.700 . 3.600 2.226 2.124 2.367 . 0 0 "[ . 1 . 2]" 1
1076 1 6 VAL HA 1 6 VAL HB 2.900 . 3.900 2.739 2.388 3.032 . 0 0 "[ . 1 . 2]" 1
1077 1 6 VAL HA 1 6 VAL MG2 3.000 . 4.100 2.452 2.326 3.209 . 0 0 "[ . 1 . 2]" 1
1078 1 7 GLN HA 1 7 GLN HB3 2.800 . 3.800 2.799 2.403 3.033 . 0 0 "[ . 1 . 2]" 1
1079 1 7 GLN HA 1 7 GLN HB2 2.900 . 3.900 2.607 2.403 3.020 . 0 0 "[ . 1 . 2]" 1
1080 1 7 GLN HA 1 8 PRO HD3 2.400 . 3.100 2.113 1.802 2.585 . 0 0 "[ . 1 . 2]" 1
1081 1 7 GLN HA 1 7 GLN QG 3.100 . 4.300 2.757 2.328 3.361 . 0 0 "[ . 1 . 2]" 1
1082 1 8 PRO HB2 1 8 PRO HD2 3.800 . 5.600 3.451 2.904 4.042 . 0 0 "[ . 1 . 2]" 1
1083 1 7 GLN HA 1 8 PRO HD2 2.100 . 2.600 2.370 1.908 2.616 0.016 13 0 "[ . 1 . 2]" 1
1084 1 9 GLN HA 1 9 GLN HB3 2.300 . 2.900 2.635 2.329 3.028 0.128 15 0 "[ . 1 . 2]" 1
1085 1 10 LEU HA 1 10 LEU HB2 2.400 . 3.100 2.442 2.363 2.513 . 0 0 "[ . 1 . 2]" 1
1086 1 10 LEU HA 1 10 LEU QD 2.800 . 3.800 2.595 2.022 3.449 . 0 0 "[ . 1 . 2]" 1
1087 1 10 LEU HB2 1 10 LEU QD 2.200 . 2.800 2.127 2.063 2.249 . 0 0 "[ . 1 . 2]" 1
1088 1 10 LEU HG 1 11 ARG HA 2.900 . 4.000 3.895 3.147 4.177 0.177 2 0 "[ . 1 . 2]" 1
1089 1 10 LEU HA 1 11 ARG HA 1.900 . 6.000 4.712 4.310 5.323 . 0 0 "[ . 1 . 2]" 1
1090 1 11 ARG HA 1 11 ARG QG 2.800 . 3.700 2.492 2.293 3.418 . 0 0 "[ . 1 . 2]" 1
1091 1 11 ARG HA 1 11 ARG HB2 2.700 . 3.600 2.701 2.372 3.030 . 0 0 "[ . 1 . 2]" 1
1092 1 11 ARG HD3 1 11 ARG QG 2.400 . 3.100 2.320 2.169 2.413 . 0 0 "[ . 1 . 2]" 1
1093 1 11 ARG HB3 1 11 ARG HD3 2.400 . 3.100 2.846 2.298 3.758 0.658 7 5 "[ *- . +* 1 . * 2]" 1
1094 1 11 ARG HA 1 11 ARG HD3 3.800 . 5.600 4.491 3.163 4.892 . 0 0 "[ . 1 . 2]" 1
1095 1 11 ARG HD2 1 11 ARG QG 2.600 . 3.400 2.325 2.171 2.424 . 0 0 "[ . 1 . 2]" 1
1096 1 11 ARG QB 1 11 ARG HD2 3.100 . 4.300 2.542 2.221 3.308 . 0 0 "[ . 1 . 2]" 1
1097 1 12 ARG HA 1 13 PRO HD3 2.700 . 3.600 2.235 1.792 3.257 0.008 6 0 "[ . 1 . 2]" 1
1098 1 12 ARG HA 1 13 PRO HD2 2.900 . 3.900 2.400 1.833 2.943 0.067 13 0 "[ . 1 . 2]" 1
1099 1 12 ARG QD 1 15 GLU HB2 2.900 . 4.000 3.026 2.104 4.128 0.128 7 0 "[ . 1 . 2]" 1
1100 1 12 ARG HB3 1 12 ARG QD 2.300 . 3.000 1.966 1.902 2.068 . 0 0 "[ . 1 . 2]" 1
1101 1 12 ARG HA 1 12 ARG QG 3.600 . 5.300 2.597 2.339 3.356 . 0 0 "[ . 1 . 2]" 1
1102 1 14 PHE HA 1 17 LEU QB 4.400 . 6.000 2.529 1.916 2.960 0.084 6 0 "[ . 1 . 2]" 1
1103 1 15 GLU HA 1 18 ILE HB 3.900 . 5.800 3.072 2.613 3.795 . 0 0 "[ . 1 . 2]" 1
1104 1 15 GLU HA 1 16 LEU HA 3.800 . 5.600 4.714 4.572 4.903 . 0 0 "[ . 1 . 2]" 1
1105 1 15 GLU HA 1 15 GLU QG 2.700 . 3.600 2.535 2.292 3.001 . 0 0 "[ . 1 . 2]" 1
1106 1 12 ARG QB 1 15 GLU QB 1.900 . 2.300 1.856 1.431 2.389 0.089 15 0 "[ . 1 . 2]" 1
1107 1 15 GLU QB 1 15 GLU QG 2.200 . 2.800 2.053 1.990 2.088 . 0 0 "[ . 1 . 2]" 1
1108 1 16 LEU HA 1 16 LEU QD 2.800 . 3.800 3.199 1.961 3.432 . 0 0 "[ . 1 . 2]" 1
1109 1 17 LEU HA 1 17 LEU QB 3.200 . 4.500 2.441 2.325 2.509 . 0 0 "[ . 1 . 2]" 1
1110 1 17 LEU HA 1 17 LEU HG 3.300 . 4.600 3.428 2.410 3.726 . 0 0 "[ . 1 . 2]" 1
1111 1 17 LEU QD 1 17 LEU HG 3.100 . 4.300 1.892 1.887 1.898 0.013 2 0 "[ . 1 . 2]" 1
1112 1 17 LEU QB 1 17 LEU QD . . 3.600 2.022 1.861 2.070 0.039 14 0 "[ . 1 . 2]" 1
1113 1 16 LEU QD 1 17 LEU QD 2.200 . 6.000 3.180 2.467 4.740 . 0 0 "[ . 1 . 2]" 1
1114 1 17 LEU HA 1 17 LEU QD 3.000 . 4.100 2.004 1.751 3.086 0.149 3 0 "[ . 1 . 2]" 1
1115 1 14 PHE HZ 1 18 ILE MD 3.900 . 5.800 4.988 3.470 5.921 0.121 12 0 "[ . 1 . 2]" 1
1116 1 18 ILE HB 1 18 ILE MD 2.800 . 3.800 2.424 2.386 2.452 . 0 0 "[ . 1 . 2]" 1
1117 1 18 ILE MD 1 18 ILE HG13 2.400 . 3.100 2.120 2.116 2.122 . 0 0 "[ . 1 . 2]" 1
1118 1 18 ILE MD 1 18 ILE MG 2.000 . 2.500 1.949 1.909 2.012 . 0 0 "[ . 1 . 2]" 1
1119 1 18 ILE MG 1 19 ALA HA 3.500 . 5.000 3.497 3.311 3.670 . 0 0 "[ . 1 . 2]" 1
1120 1 18 ILE HA 1 18 ILE MG 4.200 . 6.000 2.401 2.324 2.432 . 0 0 "[ . 1 . 2]" 1
1121 1 18 ILE MG 1 21 ALA MB 3.000 . 4.100 3.579 3.042 4.061 . 0 0 "[ . 1 . 2]" 1
1122 1 18 ILE MG 1 22 MET QG 3.300 . 4.600 3.961 2.839 4.665 0.065 16 0 "[ . 1 . 2]" 1
1123 1 16 LEU QB 1 19 ALA MB 2.000 . 6.000 3.817 3.146 4.763 . 0 0 "[ . 1 . 2]" 1
1124 1 16 LEU HA 1 19 ALA MB 2.500 . 3.300 2.454 2.098 3.151 . 0 0 "[ . 1 . 2]" 1
1125 1 19 ALA HA 1 19 ALA MB 2.400 . 3.100 2.130 2.125 2.132 . 0 0 "[ . 1 . 2]" 1
1126 1 17 LEU HA 1 20 ALA MB 3.100 . 4.300 2.424 1.843 2.861 0.057 14 0 "[ . 1 . 2]" 1
1127 1 17 LEU QB 1 20 ALA MB 4.500 . 6.000 4.178 3.531 4.589 . 0 0 "[ . 1 . 2]" 1
1128 1 16 LEU QD 1 20 ALA MB 3.000 . 4.100 3.551 2.596 4.054 . 0 0 "[ . 1 . 2]" 1
1129 1 17 LEU QD 1 20 ALA MB 3.300 . 4.000 2.781 2.145 3.399 . 0 0 "[ . 1 . 2]" 1
1130 1 17 LEU QD 1 21 ALA MB 3.300 . 4.700 2.957 2.492 3.864 . 0 0 "[ . 1 . 2]" 1
1131 1 21 ALA HA 1 21 ALA MB 2.400 . 3.100 2.127 2.123 2.132 . 0 0 "[ . 1 . 2]" 1
1132 1 22 MET HB2 1 22 MET QG 4.300 . 6.000 2.365 2.296 2.461 . 0 0 "[ . 1 . 2]" 1
1133 1 21 ALA MB 1 22 MET ME 3.000 . 4.100 3.800 2.041 4.242 0.142 7 0 "[ . 1 . 2]" 1
1134 1 18 ILE MG 1 22 MET ME 3.000 . 4.200 2.404 1.961 3.675 . 0 0 "[ . 1 . 2]" 1
1135 1 22 MET ME 1 22 MET QG 3.300 . 4.600 2.343 2.198 2.490 . 0 0 "[ . 1 . 2]" 1
1136 1 22 MET HB3 1 22 MET QG 2.100 . 2.700 2.230 2.138 2.362 . 0 0 "[ . 1 . 2]" 1
1137 1 22 MET QG 1 27 THR HA 3.300 . 4.700 3.817 3.146 4.732 0.032 2 0 "[ . 1 . 2]" 1
1138 1 22 MET HB2 1 22 MET QG 2.400 . 3.100 2.094 2.007 2.176 . 0 0 "[ . 1 . 2]" 1
1139 1 23 GLU HA 1 23 GLU QG 2.900 . 3.900 2.778 2.235 3.176 . 0 0 "[ . 1 . 2]" 1
1140 1 23 GLU HA 1 23 GLU HB2 2.600 . 3.400 2.629 2.360 3.021 . 0 0 "[ . 1 . 2]" 1
1141 1 23 GLU HB2 1 23 GLU QG 1.700 . 2.200 2.284 2.145 2.411 0.211 19 0 "[ . 1 . 2]" 1
1142 1 24 ARG HA 1 24 ARG HB3 3.000 . 4.100 2.804 2.473 3.027 . 0 0 "[ . 1 . 2]" 1
1143 1 24 ARG HA 1 24 ARG HB2 2.700 . 3.600 2.734 2.456 3.022 . 0 0 "[ . 1 . 2]" 1
1144 1 24 ARG HA 1 24 ARG QD 2.800 . 3.800 2.384 1.773 3.872 0.072 2 0 "[ . 1 . 2]" 1
1145 1 24 ARG HB2 1 24 ARG QD 4.400 . 6.000 2.957 2.297 3.491 . 0 0 "[ . 1 . 2]" 1
1146 1 24 ARG HB3 1 24 ARG QD 3.100 . 4.300 2.845 2.184 3.486 . 0 0 "[ . 1 . 2]" 1
1147 1 24 ARG QD 1 24 ARG HG3 2.200 . 2.800 2.275 2.165 2.411 . 0 0 "[ . 1 . 2]" 1
1148 1 25 ASN HA 1 26 PRO HD2 2.600 . 3.500 2.641 2.317 2.999 . 0 0 "[ . 1 . 2]" 1
1149 1 25 ASN HA 1 26 PRO HD3 2.900 . 4.000 2.396 1.946 2.685 . 0 0 "[ . 1 . 2]" 1
1150 1 26 PRO HA 1 26 PRO HB3 2.300 . 2.900 2.289 2.268 2.304 . 0 0 "[ . 1 . 2]" 1
1151 1 26 PRO HA 1 26 PRO HD3 2.700 . 3.600 3.597 3.341 3.787 0.187 4 0 "[ . 1 . 2]" 1
1152 1 28 GLN HA 1 28 GLN QB 2.500 . 3.300 2.270 2.169 2.374 . 0 0 "[ . 1 . 2]" 1
1153 1 28 GLN HA 1 28 GLN QG 3.200 . 4.500 2.948 2.402 3.356 . 0 0 "[ . 1 . 2]" 1
1154 1 28 GLN QB 1 28 GLN QG 1.900 . 2.400 2.069 1.991 2.087 . 0 0 "[ . 1 . 2]" 1
1155 1 29 PHE HA 1 29 PHE HB3 2.900 . 3.900 2.450 2.334 2.534 . 0 0 "[ . 1 . 2]" 1
1156 1 29 PHE HB3 1 29 PHE QD 3.200 . 4.500 2.424 2.325 2.546 . 0 0 "[ . 1 . 2]" 1
1157 1 29 PHE HB2 1 29 PHE QD 3.000 . 4.200 2.360 2.282 2.460 . 0 0 "[ . 1 . 2]" 1
1158 1 30 GLN HA 1 30 GLN HG2 2.900 . 4.000 3.007 2.454 3.751 . 0 0 "[ . 1 . 2]" 1
1159 1 30 GLN HA 1 32 PRO HD3 3.300 . 4.600 4.433 3.791 4.939 0.339 8 0 "[ . 1 . 2]" 1
1160 1 31 LEU HA 1 31 LEU MD1 3.900 . 5.800 2.802 1.931 3.902 0.069 15 0 "[ . 1 . 2]" 1
1161 1 31 LEU HB2 1 31 LEU MD1 2.200 . 2.800 2.368 2.266 3.200 0.400 15 0 "[ . 1 . 2]" 1
1162 1 33 ASN HA 1 33 ASN QB 2.600 . 3.400 2.352 2.165 2.455 . 0 0 "[ . 1 . 2]" 1
1163 1 34 GLU HA 1 34 GLU HB3 2.600 . 3.500 2.751 2.357 3.029 . 0 0 "[ . 1 . 2]" 1
1164 1 34 GLU HA 1 34 GLU HB2 2.800 . 3.700 2.503 2.420 3.007 . 0 0 "[ . 1 . 2]" 1
1165 1 34 GLU HA 1 34 GLU QG 3.300 . 4.600 2.999 2.374 3.533 . 0 0 "[ . 1 . 2]" 1
1166 1 34 GLU HB3 1 34 GLU QG 2.000 . 2.500 2.272 2.152 2.406 . 0 0 "[ . 1 . 2]" 1
1167 1 34 GLU HB2 1 34 GLU QG 2.100 . 2.700 2.328 2.161 2.400 . 0 0 "[ . 1 . 2]" 1
1168 1 35 LEU HA 1 35 LEU HB2 2.400 . 3.100 2.575 2.308 2.751 . 0 0 "[ . 1 . 2]" 1
1169 1 35 LEU HA 1 35 LEU QD 2.600 . 3.500 2.387 1.940 3.359 . 0 0 "[ . 1 . 2]" 1
1170 1 35 LEU HB2 1 35 LEU QD 2.100 . 2.700 2.216 2.116 2.302 . 0 0 "[ . 1 . 2]" 1
1171 1 35 LEU HA 1 35 LEU HG 2.700 . 3.600 2.972 2.401 3.691 0.091 13 0 "[ . 1 . 2]" 1
1172 1 35 LEU QD 1 35 LEU HG 3.100 . 4.300 1.894 1.890 1.897 0.010 6 0 "[ . 1 . 2]" 1
1173 1 36 THR HA 1 36 THR HB 2.300 . 3.000 2.768 2.376 3.031 0.031 10 0 "[ . 1 . 2]" 1
1174 1 36 THR HA 1 36 THR MG 2.600 . 3.500 2.458 2.137 3.222 . 0 0 "[ . 1 . 2]" 1
1175 1 38 THR HA 1 38 THR HB 2.100 . 2.700 2.574 2.444 2.962 0.262 3 0 "[ . 1 . 2]" 1
1176 1 40 ALA HA 1 40 ALA MB 3.200 . 4.500 2.130 2.126 2.135 . 0 0 "[ . 1 . 2]" 1
1177 1 8 PRO HB3 1 8 PRO HD3 3.400 . 4.800 3.634 3.001 4.072 . 0 0 "[ . 1 . 2]" 1
1178 1 41 LEU QD 1 42 PRO QD 2.500 . 3.300 2.496 1.763 3.276 . 0 0 "[ . 1 . 2]" 1
1179 1 45 SER HA 1 45 SER QB 3.800 . 5.600 2.331 2.175 2.414 . 0 0 "[ . 1 . 2]" 1
1180 1 16 LEU QB 1 17 LEU QD 3.900 . 5.800 4.910 4.420 5.252 . 0 0 "[ . 1 . 2]" 1
1181 1 16 LEU MD1 1 16 LEU MD2 1.700 . 2.200 2.075 2.060 2.091 . 0 0 "[ . 1 . 2]" 1
1182 1 16 LEU QD 1 17 LEU QB 3.200 . 4.500 2.888 2.397 4.208 . 0 0 "[ . 1 . 2]" 1
1183 2 3 ALA H 2 3 ALA MB 3.000 . 4.100 2.373 2.232 2.928 . 0 0 "[ . 1 . 2]" 1
1184 2 2 ASN QB 2 3 ALA H 4.000 . 6.000 2.947 1.790 3.828 0.210 5 0 "[ . 1 . 2]" 1
1185 2 3 ALA MB 2 4 SER H 3.800 . 5.600 3.154 1.914 3.659 0.086 10 0 "[ . 1 . 2]" 1
1186 2 4 SER H 2 4 SER QB 3.000 . 4.100 2.741 2.288 3.380 . 0 0 "[ . 1 . 2]" 1
1187 2 3 ALA HA 2 4 SER H 2.900 . 4.000 2.681 2.135 3.567 . 0 0 "[ . 1 . 2]" 1
1188 2 4 SER H 2 4 SER HA 3.000 . 4.200 2.767 2.240 2.944 . 0 0 "[ . 1 . 2]" 1
1189 2 5 LEU H 2 5 LEU HA 2.800 . 3.700 2.655 2.255 2.948 . 0 0 "[ . 1 . 2]" 1
1190 2 4 SER HA 2 5 LEU H 2.700 . 3.600 2.600 2.109 3.534 . 0 0 "[ . 1 . 2]" 1
1191 2 4 SER QB 2 5 LEU H 3.700 . 5.400 3.483 1.919 4.025 0.081 4 0 "[ . 1 . 2]" 1
1192 2 5 LEU H 2 5 LEU HB3 2.700 . 3.600 2.991 2.404 3.871 0.271 9 0 "[ . 1 . 2]" 1
1193 2 5 LEU H 2 5 LEU HB2 3.000 . 4.100 3.011 2.371 3.593 . 0 0 "[ . 1 . 2]" 1
1194 2 5 LEU H 2 5 LEU QD 4.100 . 6.000 3.009 1.976 4.014 0.024 8 0 "[ . 1 . 2]" 1
1195 2 5 LEU HA 2 6 GLN H 2.800 . 3.800 2.589 2.127 3.541 . 0 0 "[ . 1 . 2]" 1
1196 2 6 GLN H 2 6 GLN HA 3.000 . 4.100 2.783 2.251 2.951 . 0 0 "[ . 1 . 2]" 1
1197 2 6 GLN H 2 6 GLN QG 3.400 . 4.800 3.463 2.102 4.480 . 0 0 "[ . 1 . 2]" 1
1198 2 6 GLN H 2 6 GLN HB3 3.100 . 4.300 3.273 2.455 4.064 . 0 0 "[ . 1 . 2]" 1
1199 2 6 GLN H 2 6 GLN HB2 2.700 . 3.600 2.848 2.398 3.555 . 0 0 "[ . 1 . 2]" 1
1200 2 5 LEU HB3 2 6 GLN H 3.200 . 4.500 3.192 1.871 4.207 0.029 2 0 "[ . 1 . 2]" 1
1201 2 5 LEU HB2 2 6 GLN H 3.400 . 4.800 3.969 2.940 4.516 . 0 0 "[ . 1 . 2]" 1
1202 2 5 LEU QD 2 6 GLN H 4.900 . 6.000 3.714 2.819 4.413 . 0 0 "[ . 1 . 2]" 1
1203 2 8 ASN H 2 9 GLN HA 2.900 . 6.000 4.990 4.290 5.922 . 0 0 "[ . 1 . 2]" 1
1204 2 9 GLN H 2 10 PRO QD 3.300 . 4.700 3.609 2.234 4.379 . 0 0 "[ . 1 . 2]" 1
1205 2 8 ASN HB2 2 9 GLN H 3.500 . 5.000 3.808 2.310 4.596 . 0 0 "[ . 1 . 2]" 1
1206 2 9 GLN H 2 9 GLN QG 2.900 . 3.900 2.488 1.649 3.301 0.251 8 0 "[ . 1 . 2]" 1
1207 2 9 GLN H 2 9 GLN HB3 3.100 . 4.300 3.561 2.580 4.019 . 0 0 "[ . 1 . 2]" 1
1208 2 9 GLN H 2 9 GLN HB2 2.400 . 3.100 2.898 2.455 3.774 0.674 15 3 "[ .- 1 + *]" 1
1209 2 10 PRO HA 2 11 VAL H 2.700 . 3.600 3.365 2.706 3.575 . 0 0 "[ . 1 . 2]" 1
1210 2 10 PRO HD2 2 11 VAL H 3.300 . 4.600 2.631 1.738 4.642 0.262 6 0 "[ . 1 . 2]" 1
1211 2 11 VAL H 2 11 VAL QG 2.300 . 3.000 1.895 1.815 2.061 . 0 0 "[ . 1 . 2]" 1
1212 2 11 VAL H 2 12 GLU H 2.800 . 3.800 2.639 2.460 2.958 . 0 0 "[ . 1 . 2]" 1
1213 2 11 VAL H 2 13 PHE H 4.400 . 6.000 4.210 3.924 4.706 . 0 0 "[ . 1 . 2]" 1
1214 2 11 VAL HA 2 12 GLU H 3.300 . 4.700 3.502 3.362 3.582 . 0 0 "[ . 1 . 2]" 1
1215 2 12 GLU H 2 12 GLU QG 4.200 . 6.000 3.476 2.433 4.075 . 0 0 "[ . 1 . 2]" 1
1216 2 12 GLU H 2 12 GLU HB2 2.600 . 3.400 2.436 2.130 3.624 0.224 1 0 "[ . 1 . 2]" 1
1217 2 11 VAL QG 2 12 GLU H 3.400 . 4.900 2.338 1.716 3.456 0.184 16 0 "[ . 1 . 2]" 1
1218 2 14 ASN H 2 15 HIS H 3.000 . 4.100 2.660 2.561 2.792 . 0 0 "[ . 1 . 2]" 1
1219 2 13 PHE HB2 2 14 ASN H 4.000 . 6.000 3.806 3.626 3.880 . 0 0 "[ . 1 . 2]" 1
1220 2 14 ASN H 2 14 ASN HB3 2.900 . 4.000 2.833 2.410 3.581 . 0 0 "[ . 1 . 2]" 1
1221 2 12 GLU QG 2 13 PHE H 5.100 . 6.000 4.095 2.312 4.689 . 0 0 "[ . 1 . 2]" 1
1222 2 12 GLU HB3 2 13 PHE H 3.600 . 5.300 3.184 2.516 4.178 . 0 0 "[ . 1 . 2]" 1
1223 2 12 GLU HB2 2 13 PHE H 4.000 . 6.000 3.409 2.540 3.924 . 0 0 "[ . 1 . 2]" 1
1224 2 11 VAL QG 2 13 PHE H 4.500 . 6.000 4.177 3.675 4.561 . 0 0 "[ . 1 . 2]" 1
1225 2 12 GLU H 2 13 PHE H 2.700 . 3.600 2.584 2.442 2.765 . 0 0 "[ . 1 . 2]" 1
1226 2 13 PHE H 2 14 ASN H 3.100 . 4.300 2.625 2.525 2.776 . 0 0 "[ . 1 . 2]" 1
1227 2 15 HIS HB3 2 16 ALA H 3.400 . 4.800 2.970 2.483 3.654 . 0 0 "[ . 1 . 2]" 1
1228 2 15 HIS HB2 2 16 ALA H 3.700 . 5.400 3.457 2.542 4.014 . 0 0 "[ . 1 . 2]" 1
1229 2 16 ALA H 2 16 ALA MB 2.600 . 3.400 2.241 2.221 2.274 . 0 0 "[ . 1 . 2]" 1
1230 2 17 ILE H 2 17 ILE MD 4.300 . 6.000 3.026 2.605 3.335 . 0 0 "[ . 1 . 2]" 1
1231 2 48 GLN H 2 48 GLN HB3 2.000 . 2.500 2.522 2.440 2.588 0.088 3 0 "[ . 1 . 2]" 1
1232 2 16 ALA MB 2 17 ILE H 2.600 . 3.400 2.511 2.386 2.728 . 0 0 "[ . 1 . 2]" 1
1233 2 17 ILE H 2 17 ILE HG13 3.800 . 5.600 3.585 3.513 3.787 . 0 0 "[ . 1 . 2]" 1
1234 2 17 ILE HA 2 18 ASN H 3.800 . 5.600 3.552 3.535 3.593 . 0 0 "[ . 1 . 2]" 1
1235 2 18 ASN H 2 18 ASN QB 3.300 . 4.600 2.334 2.207 2.615 . 0 0 "[ . 1 . 2]" 1
1236 2 17 ILE HB 2 18 ASN H 2.200 . 2.800 2.399 2.308 2.518 . 0 0 "[ . 1 . 2]" 1
1237 2 17 ILE HG13 2 18 ASN H 4.700 . 6.000 4.767 4.647 4.967 . 0 0 "[ . 1 . 2]" 1
1238 2 18 ASN H 2 19 TYR H 2.800 . 3.800 2.627 2.494 2.769 . 0 0 "[ . 1 . 2]" 1
1239 2 18 ASN H 2 20 VAL H 3.000 . 6.000 4.337 4.189 4.488 . 0 0 "[ . 1 . 2]" 1
1240 2 19 TYR H 2 19 TYR HB3 2.900 . 3.900 2.499 2.458 2.554 . 0 0 "[ . 1 . 2]" 1
1241 2 18 ASN QB 2 19 TYR H 2.700 . 5.200 2.855 2.503 3.708 . 0 0 "[ . 1 . 2]" 1
1242 2 20 VAL H 2 21 ASN H 2.400 . 3.100 2.693 2.588 2.778 . 0 0 "[ . 1 . 2]" 1
1243 2 19 TYR H 2 20 VAL H 2.400 . 3.100 2.672 2.568 2.783 . 0 0 "[ . 1 . 2]" 1
1244 2 19 TYR H 2 21 ASN H 3.200 . 4.500 4.045 3.846 4.279 . 0 0 "[ . 1 . 2]" 1
1245 2 21 ASN H 2 21 ASN HB3 2.400 . 3.100 2.728 2.364 3.621 0.521 6 1 "[ .+ 1 . 2]" 1
1246 2 20 VAL HB 2 21 ASN H 2.400 . 3.100 2.644 2.441 3.405 0.305 10 0 "[ . 1 . 2]" 1
1247 2 20 VAL QG 2 21 ASN H 3.700 . 5.500 3.082 1.858 3.294 0.042 10 0 "[ . 1 . 2]" 1
1248 2 17 ILE HG12 2 18 ASN H 3.600 . 5.200 3.163 2.964 3.334 . 0 0 "[ . 1 . 2]" 1
1249 2 22 LYS H 2 23 ILE H 2.800 . 3.800 2.719 2.546 2.953 . 0 0 "[ . 1 . 2]" 1
1250 2 21 ASN HA 2 22 LYS H 2.900 . 3.900 3.515 3.452 3.549 . 0 0 "[ . 1 . 2]" 1
1251 2 18 ASN QB 2 22 LYS H 3.500 . 5.000 4.613 4.413 4.747 . 0 0 "[ . 1 . 2]" 1
1252 2 21 ASN QB 2 22 LYS H 3.600 . 5.200 2.601 2.331 2.928 . 0 0 "[ . 1 . 2]" 1
1253 2 22 LYS H 2 22 LYS QB 2.300 . 3.000 2.236 2.166 2.282 . 0 0 "[ . 1 . 2]" 1
1254 2 22 LYS H 2 22 LYS HG3 3.600 . 5.300 4.444 4.289 4.553 . 0 0 "[ . 1 . 2]" 1
1255 2 20 VAL H 2 22 LYS H 3.700 . 5.400 3.950 3.811 4.236 . 0 0 "[ . 1 . 2]" 1
1256 2 23 ILE H 2 23 ILE QG 2.300 . 3.000 2.021 1.951 2.134 0.049 12 0 "[ . 1 . 2]" 1
1257 2 23 ILE H 2 23 ILE MG 4.900 . 6.000 3.788 3.780 3.799 . 0 0 "[ . 1 . 2]" 1
1258 2 24 LYS H 2 25 ASN H 2.500 . 3.300 2.705 2.592 2.875 . 0 0 "[ . 1 . 2]" 1
1259 2 23 ILE HB 2 24 LYS H 2.600 . 3.400 2.462 2.295 2.550 . 0 0 "[ . 1 . 2]" 1
1260 2 24 LYS H 2 24 LYS HB2 2.500 . 3.300 2.444 2.256 2.562 . 0 0 "[ . 1 . 2]" 1
1261 2 22 LYS HB3 2 24 LYS H 3.700 . 5.400 5.098 4.791 5.344 . 0 0 "[ . 1 . 2]" 1
1262 2 24 LYS H 2 24 LYS HB3 3.200 . 4.400 3.273 2.419 3.613 . 0 0 "[ . 1 . 2]" 1
1263 2 24 LYS QG 2 25 ASN H 4.400 . 6.000 3.980 3.281 4.375 . 0 0 "[ . 1 . 2]" 1
1264 2 24 LYS HB2 2 25 ASN H 3.100 . 4.300 3.011 2.379 3.959 . 0 0 "[ . 1 . 2]" 1
1265 2 25 ASN H 2 25 ASN HB2 2.300 . 3.000 2.518 2.289 2.740 . 0 0 "[ . 1 . 2]" 1
1266 2 24 LYS HA 2 25 ASN H 3.500 . 5.100 3.529 3.489 3.561 . 0 0 "[ . 1 . 2]" 1
1267 2 22 LYS HA 2 25 ASN H 3.600 . 5.300 3.363 3.009 3.942 . 0 0 "[ . 1 . 2]" 1
1268 2 25 ASN H 2 26 ARG H 2.400 . 3.100 2.559 2.442 2.707 . 0 0 "[ . 1 . 2]" 1
1269 2 26 ARG H 2 27 PHE H 3.000 . 4.100 2.712 2.551 2.928 . 0 0 "[ . 1 . 2]" 1
1270 2 22 LYS HA 2 26 ARG H 3.800 . 5.600 3.865 3.535 4.176 . 0 0 "[ . 1 . 2]" 1
1271 2 25 ASN HB3 2 26 ARG H 3.800 . 5.600 2.874 2.492 3.995 . 0 0 "[ . 1 . 2]" 1
1272 2 26 ARG H 2 26 ARG HB2 2.700 . 3.600 2.435 2.073 2.624 . 0 0 "[ . 1 . 2]" 1
1273 2 26 ARG H 2 26 ARG QG . . 4.400 3.934 2.361 4.041 . 0 0 "[ . 1 . 2]" 1
1274 2 27 PHE H 2 28 GLN H 2.500 . 3.300 2.761 2.074 3.360 0.060 8 0 "[ . 1 . 2]" 1
1275 2 24 LYS HA 2 27 PHE H 3.900 . 5.800 3.837 3.311 4.385 . 0 0 "[ . 1 . 2]" 1
1276 2 27 PHE H 2 27 PHE HB2 2.800 . 3.800 2.540 2.424 2.654 . 0 0 "[ . 1 . 2]" 1
1277 2 26 ARG HB3 2 27 PHE H 3.500 . 5.100 2.623 2.274 3.517 . 0 0 "[ . 1 . 2]" 1
1278 2 26 ARG HB2 2 27 PHE H 3.800 . 5.600 3.730 2.597 4.006 . 0 0 "[ . 1 . 2]" 1
1279 2 28 GLN H 2 29 GLY H 3.200 . 4.500 3.392 2.324 4.470 . 0 0 "[ . 1 . 2]" 1
1280 2 28 GLN H 2 30 GLN H 3.800 . 5.600 4.221 3.594 4.754 . 0 0 "[ . 1 . 2]" 1
1281 2 27 PHE HA 2 28 GLN H 3.400 . 4.800 2.869 2.397 3.494 . 0 0 "[ . 1 . 2]" 1
1282 2 25 ASN HA 2 28 GLN H 3.700 . 5.400 3.828 3.152 4.716 . 0 0 "[ . 1 . 2]" 1
1283 2 28 GLN H 2 28 GLN HB3 2.600 . 3.400 2.694 2.423 3.571 0.171 10 0 "[ . 1 . 2]" 1
1284 2 28 GLN H 2 28 GLN HB2 2.600 . 3.400 2.648 2.424 3.557 0.157 20 0 "[ . 1 . 2]" 1
1285 2 28 GLN HA 2 29 GLY H 3.200 . 4.500 3.016 2.113 3.580 . 0 0 "[ . 1 . 2]" 1
1286 2 29 GLY H 2 29 GLY HA3 2.900 . 4.000 2.550 2.298 2.958 . 0 0 "[ . 1 . 2]" 1
1287 2 28 GLN HB3 2 29 GLY H 3.800 . 5.600 3.342 1.969 4.399 0.031 13 0 "[ . 1 . 2]" 1
1288 2 28 GLN HB2 2 29 GLY H 3.800 . 5.600 4.079 3.523 4.504 . 0 0 "[ . 1 . 2]" 1
1289 2 29 GLY H 2 30 GLN H 2.700 . 3.600 2.473 2.216 3.648 0.048 18 0 "[ . 1 . 2]" 1
1290 2 29 GLY HA2 2 30 GLN H 3.400 . 4.800 3.323 2.483 3.520 . 0 0 "[ . 1 . 2]" 1
1291 2 28 GLN HA 2 30 GLN H 3.900 . 5.800 3.821 3.400 4.462 . 0 0 "[ . 1 . 2]" 1
1292 2 29 GLY HA3 2 30 GLN H 3.300 . 4.600 3.162 2.858 3.550 . 0 0 "[ . 1 . 2]" 1
1293 2 30 GLN H 2 31 PRO HD2 4.100 . 6.000 4.661 4.064 5.005 . 0 0 "[ . 1 . 2]" 1
1294 2 30 GLN H 2 30 GLN HB3 3.100 . 4.300 3.086 2.285 3.570 . 0 0 "[ . 1 . 2]" 1
1295 2 30 GLN H 2 30 GLN HB2 2.700 . 3.600 2.806 2.546 3.764 0.164 18 0 "[ . 1 . 2]" 1
1296 2 30 GLN HA 2 32 ASP H 3.900 . 5.800 3.479 3.208 3.822 . 0 0 "[ . 1 . 2]" 1
1297 2 31 PRO HD3 2 32 ASP H 4.200 . 6.000 3.776 3.564 4.004 . 0 0 "[ . 1 . 2]" 1
1298 2 31 PRO HD2 2 32 ASP H 3.900 . 5.800 2.519 2.157 2.882 . 0 0 "[ . 1 . 2]" 1
1299 2 32 ASP H 2 32 ASP HB2 2.500 . 3.300 2.686 2.322 3.608 0.308 13 0 "[ . 1 . 2]" 1
1300 2 32 ASP H 2 32 ASP HB3 3.100 . 4.300 2.999 2.395 3.627 . 0 0 "[ . 1 . 2]" 1
1301 2 31 PRO HB3 2 32 ASP H 3.800 . 5.600 4.203 3.894 4.349 . 0 0 "[ . 1 . 2]" 1
1302 2 31 PRO QG 2 32 ASP H 3.000 . 4.100 3.493 2.439 3.970 . 0 0 "[ . 1 . 2]" 1
1303 2 32 ASP H 2 33 ILE HB 4.500 . 6.000 4.211 3.785 4.774 . 0 0 "[ . 1 . 2]" 1
1304 2 32 ASP H 2 33 ILE H 2.700 . 3.600 2.657 2.498 2.813 . 0 0 "[ . 1 . 2]" 1
1305 2 33 ILE H 2 34 TYR H 2.900 . 3.900 2.670 2.449 2.949 . 0 0 "[ . 1 . 2]" 1
1306 2 33 ILE H 2 33 ILE HA 3.000 . 4.100 2.829 2.784 2.866 . 0 0 "[ . 1 . 2]" 1
1307 2 32 ASP HA 2 33 ILE H 3.500 . 5.100 3.502 3.412 3.558 . 0 0 "[ . 1 . 2]" 1
1308 2 32 ASP HB2 2 33 ILE H 3.800 . 5.600 3.472 2.564 4.176 . 0 0 "[ . 1 . 2]" 1
1309 2 32 ASP HB3 2 33 ILE H 3.200 . 4.500 3.401 2.415 4.095 . 0 0 "[ . 1 . 2]" 1
1310 2 30 GLN HB3 2 33 ILE H 3.200 . 4.500 3.409 2.835 4.453 . 0 0 "[ . 1 . 2]" 1
1311 2 33 ILE H 2 33 ILE HB 2.000 . 2.500 2.200 1.968 2.711 0.211 11 0 "[ . 1 . 2]" 1
1312 2 33 ILE H 2 33 ILE HG12 3.400 . 4.800 2.987 1.749 3.585 0.251 11 0 "[ . 1 . 2]" 1
1313 2 33 ILE H 2 33 ILE MD 4.000 . 6.000 3.473 2.774 3.822 . 0 0 "[ . 1 . 2]" 1
1314 2 33 ILE HB 2 34 TYR H 2.900 . 4.000 2.504 2.283 2.679 . 0 0 "[ . 1 . 2]" 1
1315 2 33 ILE MG 2 34 TYR H 4.700 . 6.000 3.351 3.136 3.691 . 0 0 "[ . 1 . 2]" 1
1316 2 34 TYR H 2 35 LYS H 2.900 . 3.900 2.560 2.479 2.629 . 0 0 "[ . 1 . 2]" 1
1317 2 35 LYS H 2 36 ALA H 3.100 . 4.300 2.688 2.527 2.851 . 0 0 "[ . 1 . 2]" 1
1318 2 32 ASP HA 2 35 LYS H 4.000 . 6.000 3.368 2.823 3.739 . 0 0 "[ . 1 . 2]" 1
1319 2 35 LYS H 2 35 LYS QB 2.400 . 3.100 2.257 2.178 2.406 . 0 0 "[ . 1 . 2]" 1
1320 2 35 LYS H 2 35 LYS HG2 4.900 . 6.000 4.331 3.449 4.550 . 0 0 "[ . 1 . 2]" 1
1321 2 36 ALA H 2 36 ALA MB 2.000 . 2.500 2.238 2.228 2.256 . 0 0 "[ . 1 . 2]" 1
1322 2 35 LYS QB 2 36 ALA H 2.400 . 3.100 2.548 2.245 2.859 . 0 0 "[ . 1 . 2]" 1
1323 2 36 ALA HA 2 37 PHE H 3.400 . 4.800 3.544 3.520 3.565 . 0 0 "[ . 1 . 2]" 1
1324 2 37 PHE H 2 37 PHE HB2 3.000 . 4.100 2.601 2.528 2.697 . 0 0 "[ . 1 . 2]" 1
1325 2 36 ALA MB 2 37 PHE H 3.000 . 4.100 2.439 2.300 2.617 . 0 0 "[ . 1 . 2]" 1
1326 2 38 LEU H 2 38 LEU QD 4.400 . 6.000 3.636 3.495 3.691 . 0 0 "[ . 1 . 2]" 1
1327 2 38 LEU H 2 38 LEU HB2 4.100 . 6.000 2.386 2.196 2.474 . 0 0 "[ . 1 . 2]" 1
1328 2 38 LEU H 2 38 LEU HG 3.600 . 5.200 4.503 4.445 4.540 . 0 0 "[ . 1 . 2]" 1
1329 2 38 LEU H 2 38 LEU HB3 3.500 . 5.000 2.604 2.526 2.788 . 0 0 "[ . 1 . 2]" 1
1330 2 37 PHE HB3 2 38 LEU H 3.100 . 4.300 2.583 2.485 2.669 . 0 0 "[ . 1 . 2]" 1
1331 2 37 PHE H 2 38 LEU H 2.900 . 3.900 2.691 2.613 2.779 . 0 0 "[ . 1 . 2]" 1
1332 2 39 GLU H 2 40 ILE H 2.900 . 4.000 2.631 2.523 2.783 . 0 0 "[ . 1 . 2]" 1
1333 2 40 ILE H 2 40 ILE MD 4.600 . 6.000 3.626 3.512 3.787 . 0 0 "[ . 1 . 2]" 1
1334 2 40 ILE H 2 40 ILE MG 4.500 . 6.000 3.415 2.235 3.796 . 0 0 "[ . 1 . 2]" 1
1335 2 40 ILE H 2 40 ILE HG12 4.400 . 6.000 3.056 2.002 3.564 . 0 0 "[ . 1 . 2]" 1
1336 2 40 ILE H 2 40 ILE HB 2.300 . 2.900 2.269 1.872 3.023 0.123 11 0 "[ . 1 . 2]" 1
1337 2 39 GLU QB 2 40 ILE H 3.400 . 4.800 2.686 2.469 2.958 . 0 0 "[ . 1 . 2]" 1
1338 2 40 ILE H 2 41 LEU H 3.600 . 5.200 2.694 2.535 2.812 . 0 0 "[ . 1 . 2]" 1
1339 2 41 LEU H 2 41 LEU HG 3.600 . 5.200 3.481 2.093 4.534 . 0 0 "[ . 1 . 2]" 1
1340 2 42 HIS H 2 43 THR H 2.800 . 3.800 2.728 2.547 2.836 . 0 0 "[ . 1 . 2]" 1
1341 2 39 GLU HA 2 42 HIS H 4.300 . 6.000 3.205 2.883 3.512 . 0 0 "[ . 1 . 2]" 1
1342 2 42 HIS H 2 42 HIS HB3 3.100 . 4.300 2.508 2.352 3.044 . 0 0 "[ . 1 . 2]" 1
1343 2 42 HIS H 2 42 HIS HB2 3.300 . 4.700 2.514 2.047 2.626 . 0 0 "[ . 1 . 2]" 1
1344 2 40 ILE HB 2 42 HIS H 4.900 . 6.000 5.091 4.656 5.791 . 0 0 "[ . 1 . 2]" 1
1345 2 43 THR H 2 43 THR HB 2.800 . 3.800 2.601 2.516 2.692 . 0 0 "[ . 1 . 2]" 1
1346 2 43 THR H 2 44 TYR HB3 4.300 . 6.000 4.818 4.638 5.011 . 0 0 "[ . 1 . 2]" 1
1347 2 43 THR H 2 43 THR MG 4.500 . 6.000 3.765 3.749 3.782 . 0 0 "[ . 1 . 2]" 1
1348 2 44 TYR H 2 44 TYR HB3 2.800 . 3.800 2.490 2.379 2.601 . 0 0 "[ . 1 . 2]" 1
1349 2 44 TYR H 2 44 TYR HB2 2.700 . 3.600 2.597 2.505 2.683 . 0 0 "[ . 1 . 2]" 1
1350 2 44 TYR H 2 45 GLN H 2.600 . 3.500 2.712 2.606 2.818 . 0 0 "[ . 1 . 2]" 1
1351 2 43 THR H 2 44 TYR H 2.500 . 3.300 2.689 2.603 2.763 . 0 0 "[ . 1 . 2]" 1
1352 2 45 GLN H 2 45 GLN HB2 2.900 . 3.900 2.508 2.094 3.636 . 0 0 "[ . 1 . 2]" 1
1353 2 44 TYR HB3 2 45 GLN H 3.500 . 5.000 2.574 2.419 2.761 . 0 0 "[ . 1 . 2]" 1
1354 2 44 TYR HB2 2 45 GLN H 5.400 . 6.000 3.894 3.770 4.004 . 0 0 "[ . 1 . 2]" 1
1355 2 46 LYS H 2 47 GLU H 2.500 . 3.300 2.652 2.379 2.809 . 0 0 "[ . 1 . 2]" 1
1356 2 45 GLN H 2 46 LYS H 2.700 . 3.600 2.717 2.564 2.907 . 0 0 "[ . 1 . 2]" 1
1357 2 45 GLN HB2 2 46 LYS H 3.800 . 5.600 3.690 2.810 4.090 . 0 0 "[ . 1 . 2]" 1
1358 2 46 LYS H 2 46 LYS QB 2.400 . 3.100 2.274 2.190 2.543 . 0 0 "[ . 1 . 2]" 1
1359 2 46 LYS H 2 46 LYS HG3 4.500 . 6.000 4.165 2.123 4.592 . 0 0 "[ . 1 . 2]" 1
1360 2 45 GLN HB2 2 47 GLU H 2.800 . 6.000 5.819 5.307 6.100 0.100 20 0 "[ . 1 . 2]" 1
1361 2 47 GLU H 2 47 GLU QG 2.600 . 3.500 2.281 1.887 2.662 . 0 0 "[ . 1 . 2]" 1
1362 2 49 ARG H 2 50 ASN H 2.300 . 3.000 2.683 2.512 2.801 . 0 0 "[ . 1 . 2]" 1
1363 2 84 GLU HB3 2 85 PHE H 2.900 . 3.900 3.459 2.725 3.927 0.027 18 0 "[ . 1 . 2]" 1
1364 2 49 ARG H 2 49 ARG HG3 3.700 . 5.400 4.451 4.238 4.575 . 0 0 "[ . 1 . 2]" 1
1365 2 50 ASN H 2 50 ASN QB 2.900 . 3.400 2.291 2.162 2.453 . 0 0 "[ . 1 . 2]" 1
1366 2 49 ARG QB 2 50 ASN H 2.500 . 3.300 2.530 2.352 2.835 . 0 0 "[ . 1 . 2]" 1
1367 2 49 ARG HG3 2 50 ASN H 4.400 . 6.000 4.528 3.165 5.261 . 0 0 "[ . 1 . 2]" 1
1368 2 50 ASN H 2 51 ALA MB 4.800 . 6.000 4.308 4.179 4.465 . 0 0 "[ . 1 . 2]" 1
1369 2 50 ASN QB 2 51 ALA H 3.400 . 3.600 2.681 2.403 3.023 . 0 0 "[ . 1 . 2]" 1
1370 2 50 ASN HA 2 51 ALA H 3.200 . 4.500 3.512 3.444 3.541 . 0 0 "[ . 1 . 2]" 1
1371 2 51 ALA H 2 52 LYS H 2.500 . 3.300 2.725 2.502 2.880 . 0 0 "[ . 1 . 2]" 1
1372 2 50 ASN H 2 51 ALA H 2.300 . 3.000 2.639 2.457 2.821 . 0 0 "[ . 1 . 2]" 1
1373 2 52 LYS H 2 53 GLU H 2.100 . 2.700 2.557 2.399 2.701 0.001 17 0 "[ . 1 . 2]" 1
1374 2 50 ASN HA 2 52 LYS H 4.000 . 6.000 4.536 4.228 4.731 . 0 0 "[ . 1 . 2]" 1
1375 2 52 LYS H 2 52 LYS QB 2.200 . 2.800 2.302 2.076 2.479 . 0 0 "[ . 1 . 2]" 1
1376 2 52 LYS H 2 52 LYS QD 4.400 . 6.000 4.060 3.349 4.759 . 0 0 "[ . 1 . 2]" 1
1377 2 51 ALA MB 2 52 LYS H 2.600 . 3.400 2.396 2.296 2.575 . 0 0 "[ . 1 . 2]" 1
1378 2 50 ASN HA 2 53 GLU H 3.200 . 4.400 3.372 3.003 3.796 . 0 0 "[ . 1 . 2]" 1
1379 2 53 GLU H 2 53 GLU HG3 3.500 . 5.000 4.197 2.146 4.539 . 0 0 "[ . 1 . 2]" 1
1380 2 53 GLU H 2 53 GLU HG2 3.700 . 5.400 4.364 3.429 4.589 . 0 0 "[ . 1 . 2]" 1
1381 2 53 GLU H 2 53 GLU HB3 2.400 . 3.100 2.719 2.431 3.594 0.494 8 0 "[ . 1 . 2]" 1
1382 2 52 LYS QD 2 53 GLU H 3.600 . 5.200 4.695 3.427 5.185 . 0 0 "[ . 1 . 2]" 1
1383 2 53 GLU HB3 2 54 ALA H 2.700 . 3.600 2.827 1.834 3.827 0.227 9 0 "[ . 1 . 2]" 1
1384 2 53 GLU HG3 2 54 ALA H 3.800 . 5.600 4.708 3.588 5.117 . 0 0 "[ . 1 . 2]" 1
1385 2 53 GLU HG2 2 54 ALA H 3.400 . 4.800 4.323 3.600 5.187 0.387 11 0 "[ . 1 . 2]" 1
1386 2 54 ALA H 2 54 ALA HA 2.600 . 3.400 2.864 2.262 2.927 . 0 0 "[ . 1 . 2]" 1
1387 2 54 ALA H 2 56 GLY H 3.200 . 4.400 3.731 3.182 4.483 0.083 6 0 "[ . 1 . 2]" 1
1388 2 55 GLY H 2 56 GLY H 2.400 . 3.100 2.613 1.856 3.164 0.064 4 0 "[ . 1 . 2]" 1
1389 2 54 ALA HA 2 55 GLY H 3.000 . 4.100 3.208 2.967 3.521 . 0 0 "[ . 1 . 2]" 1
1390 2 55 GLY H 2 55 GLY HA3 2.800 . 3.800 2.847 2.380 2.953 . 0 0 "[ . 1 . 2]" 1
1391 2 55 GLY H 2 55 GLY HA2 2.300 . 3.000 2.411 2.294 2.951 . 0 0 "[ . 1 . 2]" 1
1392 2 54 ALA MB 2 55 GLY H 3.000 . 4.100 3.252 1.838 3.539 0.062 10 0 "[ . 1 . 2]" 1
1393 2 54 ALA HA 2 56 GLY H 4.900 . 6.000 4.560 3.386 5.063 . 0 0 "[ . 1 . 2]" 1
1394 2 54 ALA MB 2 56 GLY H 3.300 . 4.700 3.155 2.703 4.308 . 0 0 "[ . 1 . 2]" 1
1395 2 58 TYR H 2 58 TYR HB3 2.400 . 3.100 2.395 2.185 2.604 . 0 0 "[ . 1 . 2]" 1
1396 2 56 GLY HA3 2 58 TYR H 3.500 . 5.000 4.659 3.959 5.256 0.256 6 0 "[ . 1 . 2]" 1
1397 2 58 TYR H 2 58 TYR HA 2.800 . 3.800 2.870 2.786 2.938 . 0 0 "[ . 1 . 2]" 1
1398 2 57 ASN HA 2 58 TYR H 2.700 . 3.600 3.357 2.460 3.531 . 0 0 "[ . 1 . 2]" 1
1399 2 57 ASN H 2 58 TYR H 2.100 . 2.600 2.484 2.043 2.728 0.128 12 0 "[ . 1 . 2]" 1
1400 2 59 THR H 2 59 THR HB 2.900 . 3.900 3.204 2.546 4.019 0.119 4 0 "[ . 1 . 2]" 1
1401 2 59 THR H 2 60 PRO QD 4.000 . 6.000 3.926 2.454 4.373 . 0 0 "[ . 1 . 2]" 1
1402 2 58 TYR HB3 2 59 THR H 3.600 . 5.200 3.890 2.620 4.427 . 0 0 "[ . 1 . 2]" 1
1403 2 58 TYR HB2 2 59 THR H 3.900 . 5.800 4.112 3.031 4.432 . 0 0 "[ . 1 . 2]" 1
1404 2 59 THR H 2 59 THR MG 3.600 . 5.200 3.311 2.076 4.006 . 0 0 "[ . 1 . 2]" 1
1405 2 60 PRO HB2 2 61 ALA H 3.700 . 5.400 3.602 2.497 4.191 . 0 0 "[ . 1 . 2]" 1
1406 2 60 PRO HB3 2 61 ALA H 3.400 . 4.800 3.660 2.840 4.477 . 0 0 "[ . 1 . 2]" 1
1407 2 60 PRO HA 2 61 ALA H 2.100 . 2.600 2.215 2.123 2.455 . 0 0 "[ . 1 . 2]" 1
1408 2 61 ALA H 2 62 LEU H 2.700 . 3.600 2.460 2.011 2.813 . 0 0 "[ . 1 . 2]" 1
1409 2 62 LEU H 2 63 THR H 4.300 . 6.000 4.015 3.787 4.322 . 0 0 "[ . 1 . 2]" 1
1410 2 61 ALA HA 2 62 LEU H 3.000 . 4.100 3.481 3.335 3.553 . 0 0 "[ . 1 . 2]" 1
1411 2 60 PRO HB3 2 62 LEU H 3.600 . 5.300 3.919 3.090 4.657 . 0 0 "[ . 1 . 2]" 1
1412 2 47 GLU QB 2 62 LEU H 3.500 . 5.000 3.198 2.457 3.822 . 0 0 "[ . 1 . 2]" 1
1413 2 60 PRO HB2 2 62 LEU H 3.000 . 4.100 3.384 2.207 4.133 0.033 15 0 "[ . 1 . 2]" 1
1414 2 62 LEU H 2 62 LEU HB3 2.700 . 3.600 2.924 2.515 3.669 0.069 14 0 "[ . 1 . 2]" 1
1415 2 62 LEU H 2 62 LEU HB2 2.700 . 3.600 2.617 2.266 3.119 . 0 0 "[ . 1 . 2]" 1
1416 2 61 ALA MB 2 62 LEU H 3.200 . 4.500 2.690 2.433 3.152 . 0 0 "[ . 1 . 2]" 1
1417 2 62 LEU H 2 62 LEU QD 4.200 . 6.000 3.454 2.376 3.997 . 0 0 "[ . 1 . 2]" 1
1418 2 62 LEU QD 2 63 THR H 3.600 . 5.200 3.640 2.882 4.380 . 0 0 "[ . 1 . 2]" 1
1419 2 62 LEU HB3 2 63 THR H 3.800 . 5.600 3.604 2.903 4.018 . 0 0 "[ . 1 . 2]" 1
1420 2 63 THR H 2 66 GLU HB2 3.300 . 4.700 2.629 2.070 3.319 . 0 0 "[ . 1 . 2]" 1
1421 2 63 THR H 2 66 GLU HB3 2.900 . 3.900 3.051 2.199 3.930 0.030 6 0 "[ . 1 . 2]" 1
1422 2 62 LEU HA 2 63 THR H 2.300 . 3.000 2.223 2.124 2.356 . 0 0 "[ . 1 . 2]" 1
1423 2 63 THR MG 2 64 GLU H 3.800 . 5.600 2.571 1.924 3.722 0.076 15 0 "[ . 1 . 2]" 1
1424 2 64 GLU H 2 64 GLU HB2 4.000 . 6.000 3.030 2.337 3.623 . 0 0 "[ . 1 . 2]" 1
1425 2 64 GLU H 2 64 GLU HB3 3.000 . 4.100 3.049 2.460 3.617 . 0 0 "[ . 1 . 2]" 1
1426 2 64 GLU H 2 64 GLU HG3 3.500 . 5.000 3.258 1.989 4.368 0.011 13 0 "[ . 1 . 2]" 1
1427 2 63 THR HA 2 64 GLU H 2.400 . 3.100 2.241 1.968 2.418 . 0 0 "[ . 1 . 2]" 1
1428 2 65 GLN H 2 65 GLN HA 2.800 . 3.800 2.810 2.778 2.835 . 0 0 "[ . 1 . 2]" 1
1429 2 64 GLU HA 2 65 GLN H 4.000 . 6.000 3.511 3.447 3.568 . 0 0 "[ . 1 . 2]" 1
1430 2 65 GLN H 2 65 GLN QG 3.700 . 5.400 3.983 3.950 4.045 . 0 0 "[ . 1 . 2]" 1
1431 2 65 GLN H 2 65 GLN HB2 2.300 . 2.900 2.513 2.373 2.691 . 0 0 "[ . 1 . 2]" 1
1432 2 64 GLU HB2 2 65 GLN H 4.000 . 6.000 3.297 2.404 4.005 . 0 0 "[ . 1 . 2]" 1
1433 2 66 GLU H 2 67 VAL H 2.300 . 2.900 2.729 2.559 2.835 . 0 0 "[ . 1 . 2]" 1
1434 2 66 GLU H 2 66 GLU HB3 2.600 . 3.500 2.654 2.035 3.341 . 0 0 "[ . 1 . 2]" 1
1435 2 62 LEU QD 2 66 GLU H 4.200 . 6.000 4.837 4.337 5.847 . 0 0 "[ . 1 . 2]" 1
1436 2 64 GLU HA 2 67 VAL H 3.400 . 4.900 3.388 3.097 3.643 . 0 0 "[ . 1 . 2]" 1
1437 2 66 GLU HA 2 67 VAL H 4.300 . 6.000 3.546 3.521 3.562 . 0 0 "[ . 1 . 2]" 1
1438 2 67 VAL H 2 67 VAL HB 2.100 . 2.600 2.553 2.469 2.616 0.016 11 0 "[ . 1 . 2]" 1
1439 2 68 TYR H 2 68 TYR HB3 2.900 . 4.000 2.595 2.468 2.673 . 0 0 "[ . 1 . 2]" 1
1440 2 68 TYR H 2 68 TYR HB2 2.700 . 3.600 2.473 2.394 2.568 . 0 0 "[ . 1 . 2]" 1
1441 2 67 VAL HB 2 68 TYR H 2.400 . 3.100 2.460 2.322 2.629 . 0 0 "[ . 1 . 2]" 1
1442 2 39 GLU H 2 39 GLU QB 2.400 . 3.100 2.306 2.072 2.462 . 0 0 "[ . 1 . 2]" 1
1443 2 67 VAL MG1 2 68 TYR H 4.200 . 6.000 3.272 2.945 3.501 . 0 0 "[ . 1 . 2]" 1
1444 2 68 TYR H 2 89 LEU QD 3.400 . 4.800 3.733 3.101 4.483 . 0 0 "[ . 1 . 2]" 1
1445 2 69 ALA H 2 69 ALA MB 2.300 . 3.000 2.240 2.227 2.249 . 0 0 "[ . 1 . 2]" 1
1446 2 68 TYR HB2 2 69 ALA H 4.100 . 6.000 3.889 3.813 3.993 . 0 0 "[ . 1 . 2]" 1
1447 2 68 TYR HB3 2 69 ALA H 2.800 . 3.800 2.672 2.551 2.771 . 0 0 "[ . 1 . 2]" 1
1448 2 66 GLU HA 2 69 ALA H 3.100 . 4.300 3.575 3.208 3.841 . 0 0 "[ . 1 . 2]" 1
1449 2 68 TYR HA 2 69 ALA H 4.200 . 6.000 3.532 3.512 3.553 . 0 0 "[ . 1 . 2]" 1
1450 2 70 GLN H 2 72 ALA H 4.400 . 6.000 4.081 3.865 4.248 . 0 0 "[ . 1 . 2]" 1
1451 2 70 GLN H 2 70 GLN HG2 3.100 . 4.300 2.951 2.173 3.718 . 0 0 "[ . 1 . 2]" 1
1452 2 70 GLN H 2 70 GLN HB2 2.300 . 2.900 2.459 2.335 2.561 . 0 0 "[ . 1 . 2]" 1
1453 2 69 ALA MB 2 70 GLN H 2.800 . 3.800 2.419 2.272 2.665 . 0 0 "[ . 1 . 2]" 1
1454 2 70 GLN HA 2 71 VAL H 4.300 . 6.000 3.533 3.481 3.580 . 0 0 "[ . 1 . 2]" 1
1455 2 71 VAL H 2 72 ALA H 2.800 . 3.800 2.608 2.511 2.748 . 0 0 "[ . 1 . 2]" 1
1456 2 70 GLN H 2 71 VAL H 2.900 . 4.000 2.648 2.494 2.738 . 0 0 "[ . 1 . 2]" 1
1457 2 70 GLN HB2 2 71 VAL H 3.000 . 4.100 2.689 2.478 2.953 . 0 0 "[ . 1 . 2]" 1
1458 2 71 VAL H 2 71 VAL HB 2.600 . 3.400 2.490 2.120 3.591 0.191 8 0 "[ . 1 . 2]" 1
1459 2 71 VAL H 2 71 VAL QG 3.100 . 4.300 2.278 1.825 2.688 0.175 8 0 "[ . 1 . 2]" 1
1460 2 71 VAL QG 2 72 ALA H 4.100 . 6.000 2.623 2.139 3.347 . 0 0 "[ . 1 . 2]" 1
1461 2 72 ALA H 2 72 ALA MB 2.400 . 3.100 2.246 2.232 2.270 . 0 0 "[ . 1 . 2]" 1
1462 2 71 VAL HB 2 72 ALA H 2.900 . 4.000 3.339 2.511 3.983 . 0 0 "[ . 1 . 2]" 1
1463 2 72 ALA H 2 73 ARG H 2.800 . 3.800 2.609 2.435 2.797 . 0 0 "[ . 1 . 2]" 1
1464 2 71 VAL H 2 73 ARG H 4.300 . 6.000 4.084 3.731 4.397 . 0 0 "[ . 1 . 2]" 1
1465 2 73 ARG H 2 74 LEU H 2.600 . 3.400 2.505 2.436 2.610 . 0 0 "[ . 1 . 2]" 1
1466 2 72 ALA HA 2 73 ARG H 4.100 . 6.000 3.524 3.474 3.563 . 0 0 "[ . 1 . 2]" 1
1467 2 71 VAL HA 2 73 ARG H 4.800 . 6.000 4.316 4.040 4.523 . 0 0 "[ . 1 . 2]" 1
1468 2 73 ARG H 2 73 ARG QB 2.300 . 3.000 2.389 2.197 2.712 . 0 0 "[ . 1 . 2]" 1
1469 2 73 ARG H 2 73 ARG HG2 3.100 . 4.300 3.294 1.878 4.556 0.256 17 0 "[ . 1 . 2]" 1
1470 2 72 ALA MB 2 73 ARG H 2.800 . 3.800 2.600 2.387 2.804 . 0 0 "[ . 1 . 2]" 1
1471 2 74 LEU H 2 74 LEU MD2 3.900 . 5.800 4.166 3.467 4.295 . 0 0 "[ . 1 . 2]" 1
1472 2 74 LEU H 2 74 LEU HB2 2.500 . 3.300 2.486 2.229 2.625 . 0 0 "[ . 1 . 2]" 1
1473 2 74 LEU H 2 74 LEU HB3 2.800 . 3.800 2.636 2.415 3.587 . 0 0 "[ . 1 . 2]" 1
1474 2 73 ARG HG2 2 74 LEU H 2.600 . 6.000 4.445 2.742 5.432 . 0 0 "[ . 1 . 2]" 1
1475 2 73 ARG QB 2 74 LEU H 2.900 . 3.900 2.717 2.393 2.989 . 0 0 "[ . 1 . 2]" 1
1476 2 71 VAL HA 2 74 LEU H 3.500 . 5.000 3.236 3.030 3.484 . 0 0 "[ . 1 . 2]" 1
1477 2 74 LEU H 2 75 PHE H 2.900 . 4.000 2.634 2.500 2.925 . 0 0 "[ . 1 . 2]" 1
1478 2 74 LEU HA 2 75 PHE H 3.700 . 5.400 3.565 3.545 3.585 . 0 0 "[ . 1 . 2]" 1
1479 2 75 PHE H 2 75 PHE HB3 3.600 . 5.300 3.632 3.580 3.673 . 0 0 "[ . 1 . 2]" 1
1480 2 75 PHE H 2 75 PHE HB2 2.700 . 3.600 2.462 2.317 2.598 . 0 0 "[ . 1 . 2]" 1
1481 2 73 ARG QB 2 75 PHE H 4.700 . 6.000 5.078 4.687 5.641 . 0 0 "[ . 1 . 2]" 1
1482 2 74 LEU HB3 2 75 PHE H 2.900 . 3.900 2.457 2.148 3.375 . 0 0 "[ . 1 . 2]" 1
1483 2 74 LEU HB2 2 75 PHE H 3.600 . 5.200 3.578 2.423 3.859 . 0 0 "[ . 1 . 2]" 1
1484 2 74 LEU MD1 2 75 PHE H 5.000 . 6.000 4.290 3.184 4.530 . 0 0 "[ . 1 . 2]" 1
1485 2 76 LYS H 2 76 LYS QG 3.500 . 5.000 3.383 1.951 4.154 0.049 2 0 "[ . 1 . 2]" 1
1486 2 76 LYS H 2 76 LYS HB2 2.400 . 3.100 2.806 2.333 3.642 0.542 12 3 "[ * . 1 + . -2]" 1
1487 2 76 LYS H 2 76 LYS HB3 2.700 . 3.600 2.824 2.394 3.698 0.098 1 0 "[ . 1 . 2]" 1
1488 2 76 LYS H 2 76 LYS HA 2.700 . 3.600 2.834 2.249 2.936 . 0 0 "[ . 1 . 2]" 1
1489 2 75 PHE H 2 76 LYS H 3.400 . 4.800 3.469 2.543 4.534 . 0 0 "[ . 1 . 2]" 1
1490 2 76 LYS H 2 77 ASN H 3.600 . 5.200 3.313 2.005 4.633 . 0 0 "[ . 1 . 2]" 1
1491 2 76 LYS HA 2 77 ASN H 3.300 . 4.700 3.030 2.099 3.574 . 0 0 "[ . 1 . 2]" 1
1492 2 77 ASN H 2 78 GLN H 2.800 . 3.700 2.666 2.032 3.833 0.133 20 0 "[ . 1 . 2]" 1
1493 2 78 GLN H 2 79 GLU H 3.600 . 5.200 3.816 3.294 4.325 . 0 0 "[ . 1 . 2]" 1
1494 2 77 ASN HB2 2 78 GLN H 4.300 . 6.000 3.696 2.325 4.551 . 0 0 "[ . 1 . 2]" 1
1495 2 78 GLN H 2 78 GLN HG3 3.400 . 4.800 4.144 2.836 4.749 . 0 0 "[ . 1 . 2]" 1
1496 2 78 GLN H 2 78 GLN HG2 3.800 . 5.600 3.667 2.221 5.073 . 0 0 "[ . 1 . 2]" 1
1497 2 78 GLN H 2 78 GLN HB3 3.100 . 4.300 3.439 2.670 3.802 . 0 0 "[ . 1 . 2]" 1
1498 2 78 GLN HB2 2 79 GLU H 5.100 . 6.000 4.455 4.011 4.631 . 0 0 "[ . 1 . 2]" 1
1499 2 79 GLU H 2 79 GLU QB 2.400 . 3.100 2.417 2.147 2.744 . 0 0 "[ . 1 . 2]" 1
1500 2 79 GLU H 2 79 GLU QG 3.000 . 4.100 2.832 1.883 4.062 0.017 18 0 "[ . 1 . 2]" 1
1501 2 78 GLN HA 2 79 GLU H 2.400 . 3.100 2.276 2.131 2.634 . 0 0 "[ . 1 . 2]" 1
1502 2 79 GLU H 2 80 ASP H 2.600 . 3.400 2.608 2.394 2.780 . 0 0 "[ . 1 . 2]" 1
1503 2 80 ASP H 2 81 LEU H 2.700 . 3.600 2.736 2.550 2.946 . 0 0 "[ . 1 . 2]" 1
1504 2 78 GLN HA 2 80 ASP H 4.100 . 6.000 3.603 3.138 4.158 . 0 0 "[ . 1 . 2]" 1
1505 2 80 ASP H 2 80 ASP HA 2.900 . 4.000 2.794 2.743 2.841 . 0 0 "[ . 1 . 2]" 1
1506 2 80 ASP H 2 80 ASP HB3 3.000 . 4.100 3.007 2.209 3.621 . 0 0 "[ . 1 . 2]" 1
1507 2 80 ASP H 2 80 ASP HB2 3.100 . 4.300 2.740 2.321 3.617 . 0 0 "[ . 1 . 2]" 1
1508 2 79 GLU QG 2 80 ASP H 4.300 . 6.000 3.793 2.073 4.338 . 0 0 "[ . 1 . 2]" 1
1509 2 79 GLU QB 2 80 ASP H 3.100 . 4.300 2.839 2.331 3.540 . 0 0 "[ . 1 . 2]" 1
1510 2 81 LEU H 2 82 LEU H 2.200 . 2.800 2.664 2.523 2.787 . 0 0 "[ . 1 . 2]" 1
1511 2 81 LEU H 2 81 LEU MD1 4.400 . 6.000 3.925 3.755 4.113 . 0 0 "[ . 1 . 2]" 1
1512 2 81 LEU H 2 81 LEU QB 3.100 . 4.300 2.195 2.133 2.229 . 0 0 "[ . 1 . 2]" 1
1513 2 81 LEU H 2 81 LEU HG 3.000 . 6.000 4.524 4.458 4.573 . 0 0 "[ . 1 . 2]" 1
1514 2 78 GLN HB2 2 81 LEU H 3.400 . 4.800 4.237 3.361 5.211 0.411 17 0 "[ . 1 . 2]" 1
1515 2 82 LEU H 2 82 LEU HB2 2.300 . 3.000 2.413 2.110 2.706 . 0 0 "[ . 1 . 2]" 1
1516 2 82 LEU H 2 82 LEU HB3 3.200 . 4.500 2.902 2.349 3.586 . 0 0 "[ . 1 . 2]" 1
1517 2 82 LEU H 2 83 SER H 2.900 . 3.900 2.602 2.512 2.671 . 0 0 "[ . 1 . 2]" 1
1518 2 83 SER H 2 84 GLU H 3.000 . 4.100 2.684 2.559 2.844 . 0 0 "[ . 1 . 2]" 1
1519 2 83 SER H 2 83 SER HA 2.700 . 3.600 2.812 2.775 2.853 . 0 0 "[ . 1 . 2]" 1
1520 2 82 LEU HB2 2 83 SER H 3.600 . 5.200 3.522 2.669 4.098 . 0 0 "[ . 1 . 2]" 1
1521 2 49 ARG H 2 49 ARG HA 2.400 . 3.100 2.819 2.786 2.855 . 0 0 "[ . 1 . 2]" 1
1522 2 85 PHE H 2 85 PHE HA 2.700 . 3.600 2.814 2.774 2.859 . 0 0 "[ . 1 . 2]" 1
1523 2 48 GLN HB3 2 49 ARG H 2.500 . 3.300 2.487 2.355 2.777 . 0 0 "[ . 1 . 2]" 1
1524 2 85 PHE HB3 2 86 GLY H 4.600 . 6.000 2.699 2.509 2.951 . 0 0 "[ . 1 . 2]" 1
1525 2 87 GLN H 2 87 GLN HG2 2.600 . 3.400 2.900 1.918 3.954 0.554 2 2 "[ + . - 1 . 2]" 1
1526 2 87 GLN H 2 87 GLN HA 2.600 . 3.400 2.905 2.847 2.939 . 0 0 "[ . 1 . 2]" 1
1527 2 85 PHE HA 2 87 GLN H 3.500 . 5.000 3.830 3.439 4.321 . 0 0 "[ . 1 . 2]" 1
1528 2 87 GLN H 2 88 PHE H 2.400 . 3.200 2.332 1.818 2.652 . 0 0 "[ . 1 . 2]" 1
1529 2 86 GLY H 2 87 GLN H 2.600 . 3.500 2.761 2.650 3.100 . 0 0 "[ . 1 . 2]" 1
1530 2 88 PHE H 2 89 LEU H 2.400 . 3.100 2.282 2.179 2.481 . 0 0 "[ . 1 . 2]" 1
1531 2 88 PHE H 2 88 PHE HB2 4.900 . 6.000 2.410 2.304 2.517 . 0 0 "[ . 1 . 2]" 1
1532 2 87 GLN HB2 2 88 PHE H 3.700 . 5.400 3.616 2.887 4.354 . 0 0 "[ . 1 . 2]" 1
1533 2 87 GLN HA 2 88 PHE H 4.200 . 6.000 3.346 3.226 3.475 . 0 0 "[ . 1 . 2]" 1
1534 2 88 PHE HA 2 89 LEU H 4.500 . 6.000 3.384 3.123 3.535 . 0 0 "[ . 1 . 2]" 1
1535 2 87 GLN H 2 89 LEU H 4.300 . 6.000 3.978 3.567 4.207 . 0 0 "[ . 1 . 2]" 1
1536 2 88 PHE HB2 2 89 LEU H 5.000 . 6.000 3.164 2.572 3.776 . 0 0 "[ . 1 . 2]" 1
1537 2 89 LEU H 2 89 LEU HB3 3.500 . 5.000 3.466 2.722 3.789 . 0 0 "[ . 1 . 2]" 1
1538 2 89 LEU H 2 89 LEU HG 3.800 . 5.600 3.124 2.168 4.974 . 0 0 "[ . 1 . 2]" 1
1539 2 89 LEU H 2 89 LEU HB2 3.300 . 4.700 3.320 2.341 3.962 . 0 0 "[ . 1 . 2]" 1
1540 2 89 LEU H 2 89 LEU QD 4.300 . 6.000 2.879 1.978 4.036 0.022 5 0 "[ . 1 . 2]" 1
1541 2 90 PRO HB2 2 91 ASP H 2.900 . 4.000 3.609 2.305 4.162 0.162 19 0 "[ . 1 . 2]" 1
1542 2 90 PRO HB3 2 91 ASP H 3.300 . 4.700 3.823 3.098 4.619 . 0 0 "[ . 1 . 2]" 1
1543 2 91 ASP H 2 91 ASP HB2 2.800 . 3.800 2.890 2.253 3.746 . 0 0 "[ . 1 . 2]" 1
1544 2 90 PRO HD2 2 91 ASP H 3.400 . 6.000 5.050 3.476 5.613 . 0 0 "[ . 1 . 2]" 1
1545 2 90 PRO HA 2 91 ASP H 2.200 . 2.800 2.257 2.102 2.882 0.082 20 0 "[ . 1 . 2]" 1
1546 2 91 ASP HA 2 92 ALA H 2.700 . 3.600 3.428 2.954 3.568 . 0 0 "[ . 1 . 2]" 1
1547 2 92 ALA H 2 92 ALA HA 2.700 . 3.600 2.721 2.249 2.942 . 0 0 "[ . 1 . 2]" 1
1548 2 91 ASP HB3 2 92 ALA H 3.600 . 5.200 3.397 2.253 4.489 . 0 0 "[ . 1 . 2]" 1
1549 2 91 ASP HB2 2 92 ALA H 3.900 . 5.800 3.552 2.253 4.522 . 0 0 "[ . 1 . 2]" 1
1550 2 92 ALA H 2 92 ALA MB 2.500 . 3.300 2.436 2.226 2.971 . 0 0 "[ . 1 . 2]" 1
1551 2 63 THR HB 2 65 GLN H 2.400 . 3.100 2.796 2.409 3.147 0.047 11 0 "[ . 1 . 2]" 1
1552 2 93 ASN H 2 93 ASN HA 2.600 . 3.500 2.817 2.258 2.953 . 0 0 "[ . 1 . 2]" 1
1553 2 91 ASP HA 2 93 ASN H 3.300 . 4.700 4.057 3.290 4.763 0.063 6 0 "[ . 1 . 2]" 1
1554 2 92 ALA HA 2 93 ASN H 2.700 . 3.600 3.155 2.261 3.562 . 0 0 "[ . 1 . 2]" 1
1555 2 93 ASN H 2 93 ASN HB3 3.300 . 4.700 3.234 2.495 4.119 . 0 0 "[ . 1 . 2]" 1
1556 2 93 ASN H 2 93 ASN HB2 2.900 . 3.900 3.002 2.401 4.039 0.139 17 0 "[ . 1 . 2]" 1
1557 2 92 ALA MB 2 93 ASN H 3.400 . 4.800 3.126 1.968 3.718 0.032 16 0 "[ . 1 . 2]" 1
1558 2 79 GLU H 2 81 LEU H 3.800 . 5.600 4.340 4.075 4.621 . 0 0 "[ . 1 . 2]" 1
1559 2 93 ASN HA 2 94 SER H 3.000 . 4.100 2.572 2.127 3.546 . 0 0 "[ . 1 . 2]" 1
1560 2 94 SER H 2 94 SER QB 3.400 . 4.800 2.691 2.475 3.370 . 0 0 "[ . 1 . 2]" 1
1561 2 93 ASN HB3 2 94 SER H 4.800 . 6.000 3.701 1.984 4.475 0.016 14 0 "[ . 1 . 2]" 1
1562 2 93 ASN HB2 2 94 SER H 4.000 . 6.000 4.035 2.859 4.620 . 0 0 "[ . 1 . 2]" 1
1563 2 9 GLN H 2 9 GLN HA 2.400 . 3.100 2.877 2.247 2.951 . 0 0 "[ . 1 . 2]" 1
1564 2 15 HIS H 2 15 HIS HB2 2.700 . 3.600 2.452 2.281 2.568 . 0 0 "[ . 1 . 2]" 1
1565 2 18 ASN H 2 18 ASN HA 2.900 . 3.900 2.823 2.783 2.864 . 0 0 "[ . 1 . 2]" 1
1566 2 21 ASN H 2 21 ASN HA 2.700 . 3.600 2.815 2.793 2.853 . 0 0 "[ . 1 . 2]" 1
1567 2 22 LYS H 2 22 LYS HA 3.000 . 4.100 2.808 2.751 2.845 . 0 0 "[ . 1 . 2]" 1
1568 2 24 LYS H 2 24 LYS HA 3.000 . 4.100 2.806 2.756 2.836 . 0 0 "[ . 1 . 2]" 1
1569 2 25 ASN H 2 25 ASN HA 2.900 . 4.000 2.848 2.809 2.879 . 0 0 "[ . 1 . 2]" 1
1570 2 28 GLN H 2 28 GLN HA 2.800 . 3.800 2.734 2.235 2.884 . 0 0 "[ . 1 . 2]" 1
1571 2 30 GLN H 2 30 GLN HA 2.800 . 3.800 2.939 2.903 2.950 . 0 0 "[ . 1 . 2]" 1
1572 2 32 ASP H 2 32 ASP HA 2.800 . 3.800 2.816 2.763 2.885 . 0 0 "[ . 1 . 2]" 1
1573 2 36 ALA H 2 36 ALA HA 2.700 . 3.600 2.807 2.784 2.834 . 0 0 "[ . 1 . 2]" 1
1574 2 37 PHE H 2 37 PHE HB3 2.700 . 3.600 2.439 2.362 2.520 . 0 0 "[ . 1 . 2]" 1
1575 2 40 ILE HB 2 41 LEU H 3.200 . 4.400 2.392 2.270 2.529 . 0 0 "[ . 1 . 2]" 1
1576 2 41 LEU H 2 42 HIS H 3.700 . 5.400 2.666 2.561 2.755 . 0 0 "[ . 1 . 2]" 1
1577 2 43 THR MG 2 44 TYR H 4.200 . 6.000 3.505 3.372 3.640 . 0 0 "[ . 1 . 2]" 1
1578 2 45 GLN H 2 45 GLN HB3 2.800 . 3.800 2.731 2.411 3.589 . 0 0 "[ . 1 . 2]" 1
1579 2 46 LYS H 2 46 LYS HA 2.900 . 3.900 2.824 2.788 2.865 . 0 0 "[ . 1 . 2]" 1
1580 2 46 LYS QB 2 47 GLU H 2.500 . 3.300 2.430 2.328 2.642 . 0 0 "[ . 1 . 2]" 1
1581 2 48 GLN H 2 48 GLN HB2 1.900 . 2.400 2.460 2.417 2.515 0.115 10 0 "[ . 1 . 2]" 1
1582 2 47 GLU QG 2 48 GLN H 4.100 . 6.000 4.046 3.608 4.354 . 0 0 "[ . 1 . 2]" 1
1583 2 50 ASN H 2 50 ASN HA 2.900 . 3.900 2.818 2.767 2.865 . 0 0 "[ . 1 . 2]" 1
1584 2 51 ALA H 2 51 ALA MB 2.200 . 2.800 2.236 2.223 2.260 . 0 0 "[ . 1 . 2]" 1
1585 2 50 ASN H 2 52 LYS H 3.400 . 4.900 4.293 3.967 4.464 . 0 0 "[ . 1 . 2]" 1
1586 2 54 ALA H 2 54 ALA MB 2.300 . 2.900 2.310 2.250 2.856 . 0 0 "[ . 1 . 2]" 1
1587 2 54 ALA H 2 55 GLY H 2.900 . 4.000 2.651 2.373 4.155 0.155 10 0 "[ . 1 . 2]" 1
1588 2 57 ASN H 2 57 ASN HA 2.400 . 3.100 2.745 2.259 2.934 . 0 0 "[ . 1 . 2]" 1
1589 2 54 ALA MB 2 58 TYR H 3.200 . 4.500 2.861 1.922 4.360 . 0 0 "[ . 1 . 2]" 1
1590 2 61 ALA H 2 61 ALA MB 2.500 . 3.300 2.253 2.225 2.340 . 0 0 "[ . 1 . 2]" 1
1591 2 63 THR H 2 63 THR MG 3.100 . 4.300 3.284 2.231 3.786 . 0 0 "[ . 1 . 2]" 1
1592 2 64 GLU H 2 65 GLN H 2.700 . 3.600 2.710 2.436 2.958 . 0 0 "[ . 1 . 2]" 1
1593 2 62 LEU MD2 2 67 VAL H 2.700 . 6.000 4.578 3.377 5.971 . 0 0 "[ . 1 . 2]" 1
1594 2 69 ALA H 2 69 ALA HA 2.900 . 3.900 2.820 2.795 2.837 . 0 0 "[ . 1 . 2]" 1
1595 2 70 GLN H 2 70 GLN HA 2.900 . 4.000 2.827 2.795 2.857 . 0 0 "[ . 1 . 2]" 1
1596 2 72 ALA H 2 72 ALA HA 3.000 . 4.100 2.831 2.792 2.857 . 0 0 "[ . 1 . 2]" 1
1597 2 73 ARG H 2 73 ARG HA 2.700 . 3.600 2.853 2.821 2.872 . 0 0 "[ . 1 . 2]" 1
1598 2 75 PHE HA 2 76 LYS H 3.200 . 4.500 2.617 2.151 3.203 . 0 0 "[ . 1 . 2]" 1
1599 2 79 GLU H 2 79 GLU HA 2.900 . 3.900 2.827 2.790 2.898 . 0 0 "[ . 1 . 2]" 1
1600 2 79 GLU HA 2 80 ASP H 3.800 . 5.600 3.495 3.333 3.570 . 0 0 "[ . 1 . 2]" 1
1601 2 81 LEU H 2 81 LEU MD2 5.300 . 6.000 4.235 4.199 4.267 . 0 0 "[ . 1 . 2]" 1
1602 2 83 SER H 2 83 SER QB 2.500 . 3.300 2.384 2.200 2.517 . 0 0 "[ . 1 . 2]" 1
1603 2 87 GLN H 2 87 GLN HB2 2.600 . 3.500 2.856 2.382 3.710 0.210 19 0 "[ . 1 . 2]" 1
1604 2 88 PHE H 2 88 PHE HB3 2.800 . 3.800 3.627 3.536 3.705 . 0 0 "[ . 1 . 2]" 1
1605 2 91 ASP H 2 91 ASP HB3 3.100 . 4.300 3.069 2.373 4.151 . 0 0 "[ . 1 . 2]" 1
1606 2 91 ASP H 2 92 ALA H 2.200 . 2.800 2.543 2.012 2.841 0.041 4 0 "[ . 1 . 2]" 1
1607 2 92 ALA H 2 93 ASN H 3.200 . 4.500 2.959 2.161 4.030 . 0 0 "[ . 1 . 2]" 1
1608 2 29 GLY H 2 29 GLY HA2 2.300 . 3.000 2.749 2.382 2.933 . 0 0 "[ . 1 . 2]" 1
1609 2 58 TYR QD 2 59 THR H 4.100 . 6.000 3.461 2.370 3.899 . 0 0 "[ . 1 . 2]" 1
1610 2 22 LYS H 2 22 LYS HD3 3.900 . 5.800 5.271 4.809 5.944 0.144 9 0 "[ . 1 . 2]" 1
1611 2 33 ILE H 2 33 ILE MG 4.200 . 6.000 3.765 3.738 3.784 . 0 0 "[ . 1 . 2]" 1
1612 2 26 ARG H 2 26 ARG QD 4.400 . 6.000 4.265 3.220 4.703 . 0 0 "[ . 1 . 2]" 1
1613 2 13 PHE H 2 13 PHE QB 2.600 . 3.500 2.270 2.249 2.288 . 0 0 "[ . 1 . 2]" 1
1614 2 85 PHE H 2 85 PHE HB3 2.800 . 3.800 2.683 2.546 2.779 . 0 0 "[ . 1 . 2]" 1
1615 2 34 TYR H 2 34 TYR QB 2.500 . 3.300 2.273 2.233 2.304 . 0 0 "[ . 1 . 2]" 1
1616 2 19 TYR HB2 2 20 VAL H 4.000 . 6.000 3.911 3.807 3.949 . 0 0 "[ . 1 . 2]" 1
1617 2 20 VAL H 2 20 VAL HB 2.600 . 3.500 2.567 2.335 3.611 0.111 10 0 "[ . 1 . 2]" 1
1618 2 20 VAL H 2 20 VAL QG 2.700 . 3.600 2.116 1.859 2.373 . 0 0 "[ . 1 . 2]" 1
1619 2 14 ASN H 2 14 ASN HB2 2.600 . 3.500 2.493 2.310 2.685 . 0 0 "[ . 1 . 2]" 1
1620 2 34 TYR QB 2 35 LYS H 3.100 . 4.300 2.684 2.553 2.795 . 0 0 "[ . 1 . 2]" 1
1621 2 62 LEU HB2 2 63 THR H 4.500 . 6.000 4.533 4.294 4.617 . 0 0 "[ . 1 . 2]" 1
1622 2 60 PRO HA 2 62 LEU H 4.200 . 6.000 3.807 3.297 4.366 . 0 0 "[ . 1 . 2]" 1
1623 1 8 PRO HA 1 9 GLN H 2.100 . 2.700 2.313 2.133 2.649 . 0 0 "[ . 1 . 2]" 1
1624 1 18 ILE H 1 19 ALA H 2.700 . 3.600 2.712 2.580 2.840 . 0 0 "[ . 1 . 2]" 1
1625 1 13 PRO HB2 1 17 LEU H 3.900 . 5.800 5.777 5.320 5.930 0.130 11 0 "[ . 1 . 2]" 1
1626 1 16 LEU QB 1 17 LEU H 3.700 . 5.400 3.347 2.178 3.699 . 0 0 "[ . 1 . 2]" 1
1627 1 28 GLN HA 1 30 GLN H 3.200 . 4.500 3.904 3.137 4.564 0.064 4 0 "[ . 1 . 2]" 1
1628 1 4 ASP QB 1 5 TYR H 3.800 . 5.600 3.235 2.040 3.944 . 0 0 "[ . 1 . 2]" 1
1629 1 5 TYR H 1 5 TYR QD 3.600 . 5.200 4.082 2.314 4.543 . 0 0 "[ . 1 . 2]" 1
1630 1 29 PHE HB3 1 31 LEU H 4.800 . 6.000 5.300 3.432 6.741 0.741 4 1 "[ +. 1 . 2]" 1
1631 1 2 ASN HB2 1 3 ALA H 5.600 . 6.000 3.790 1.937 4.613 . 0 0 "[ . 1 . 2]" 1
1632 1 11 ARG H 1 11 ARG QB 2.500 . 3.300 2.629 2.184 3.369 0.069 5 0 "[ . 1 . 2]" 1
1633 1 12 ARG H 1 13 PRO HD2 4.600 . 6.000 4.779 2.813 5.370 . 0 0 "[ . 1 . 2]" 1
1634 1 29 PHE H 1 29 PHE QD 3.600 . 5.200 2.600 1.995 3.464 0.005 15 0 "[ . 1 . 2]" 1
1635 1 39 THR H 1 40 ALA H 3.400 . 4.800 3.400 1.931 4.554 0.069 10 0 "[ . 1 . 2]" 1
1636 1 41 LEU H 1 41 LEU HB2 2.100 . 2.700 2.640 2.386 3.201 0.501 11 1 "[ . 1+ . 2]" 1
1637 1 3 ALA H 1 3 ALA MB 3.300 . 4.700 2.662 2.240 2.973 . 0 0 "[ . 1 . 2]" 1
1638 1 3 ALA HA 1 4 ASP H 3.100 . 4.300 2.582 2.139 3.540 . 0 0 "[ . 1 . 2]" 1
1639 1 3 ALA MB 1 4 ASP H 3.700 . 5.400 3.003 1.949 3.721 0.051 13 0 "[ . 1 . 2]" 1
1640 1 4 ASP H 1 4 ASP QB 2.900 . 4.000 2.623 2.266 3.266 . 0 0 "[ . 1 . 2]" 1
1641 1 5 TYR H 1 5 TYR QB 2.600 . 3.400 2.646 2.203 3.322 . 0 0 "[ . 1 . 2]" 1
1642 1 5 TYR HA 1 6 VAL H 2.300 . 2.900 2.200 2.106 2.320 . 0 0 "[ . 1 . 2]" 1
1643 1 5 TYR QB 1 6 VAL H 3.800 . 5.600 3.738 2.652 4.034 . 0 0 "[ . 1 . 2]" 1
1644 1 6 VAL H 1 6 VAL HA 3.000 . 4.100 2.923 2.862 2.950 . 0 0 "[ . 1 . 2]" 1
1645 1 6 VAL H 1 6 VAL HB 2.700 . 3.600 2.866 2.537 3.639 0.039 5 0 "[ . 1 . 2]" 1
1646 1 6 VAL H 1 6 VAL QG 2.900 . 3.900 2.236 1.869 2.755 0.031 5 0 "[ . 1 . 2]" 1
1647 1 6 VAL HA 1 7 GLN H 2.200 . 2.800 2.235 2.113 2.952 0.152 19 0 "[ . 1 . 2]" 1
1648 1 6 VAL H 1 7 GLN H 3.300 . 4.700 4.147 2.296 4.587 . 0 0 "[ . 1 . 2]" 1
1649 1 6 VAL QG 1 7 GLN H 3.200 . 4.500 2.867 2.207 3.744 . 0 0 "[ . 1 . 2]" 1
1650 1 7 GLN H 1 7 GLN HA 2.900 . 3.900 2.809 2.249 2.944 . 0 0 "[ . 1 . 2]" 1
1651 1 7 GLN H 1 7 GLN HB3 2.900 . 4.000 3.091 2.527 4.086 0.086 17 0 "[ . 1 . 2]" 1
1652 1 7 GLN H 1 7 GLN QG 3.300 . 4.700 3.422 1.916 4.269 . 0 0 "[ . 1 . 2]" 1
1653 1 8 PRO HD2 1 9 GLN H 3.400 . 6.000 5.297 4.935 5.676 . 0 0 "[ . 1 . 2]" 1
1654 1 8 PRO HB2 1 9 GLN H 2.400 . 3.100 3.042 2.240 3.602 0.502 3 1 "[ + . 1 . 2]" 1
1655 1 8 PRO HB3 1 9 GLN H 3.000 . 4.100 3.366 2.827 3.854 . 0 0 "[ . 1 . 2]" 1
1656 1 9 GLN HB2 1 10 LEU H 3.000 . 4.200 3.824 1.956 4.613 0.413 6 0 "[ . 1 . 2]" 1
1657 1 9 GLN QG 1 10 LEU H 3.700 . 5.400 3.936 2.130 4.826 . 0 0 "[ . 1 . 2]" 1
1658 1 10 LEU HA 1 11 ARG H 2.500 . 3.300 3.191 2.087 3.514 0.214 17 0 "[ . 1 . 2]" 1
1659 1 10 LEU QD 1 11 ARG H 3.200 . 4.500 3.319 2.117 4.307 . 0 0 "[ . 1 . 2]" 1
1660 1 11 ARG H 1 11 ARG HA 2.800 . 3.800 2.765 2.262 2.940 . 0 0 "[ . 1 . 2]" 1
1661 1 11 ARG H 1 12 ARG H 3.200 . 4.500 3.534 2.051 4.472 . 0 0 "[ . 1 . 2]" 1
1662 1 12 ARG H 1 15 GLU QB 3.300 . 4.600 3.531 1.988 4.709 0.109 11 0 "[ . 1 . 2]" 1
1663 1 11 ARG HA 1 12 ARG H 2.500 . 3.300 2.876 2.118 3.511 0.211 16 0 "[ . 1 . 2]" 1
1664 1 14 PHE H 1 14 PHE HB3 3.800 . 5.600 2.896 2.513 3.583 . 0 0 "[ . 1 . 2]" 1
1665 1 14 PHE H 1 14 PHE HB2 3.100 . 4.300 2.470 2.094 3.652 . 0 0 "[ . 1 . 2]" 1
1666 1 14 PHE H 1 15 GLU H 3.400 . 4.800 2.471 2.209 2.781 . 0 0 "[ . 1 . 2]" 1
1667 1 15 GLU H 1 15 GLU QB 3.900 . 5.800 2.307 2.184 2.555 . 0 0 "[ . 1 . 2]" 1
1668 1 15 GLU H 1 15 GLU QG 3.400 . 4.800 3.336 1.934 4.025 0.066 20 0 "[ . 1 . 2]" 1
1669 1 15 GLU H 1 16 LEU H 3.600 . 5.200 2.701 2.522 2.987 . 0 0 "[ . 1 . 2]" 1
1670 1 17 LEU H 1 17 LEU QB 3.600 . 4.300 2.197 2.109 2.292 . 0 0 "[ . 1 . 2]" 1
1671 1 17 LEU H 1 17 LEU QD 4.400 . 6.000 3.605 3.405 3.758 . 0 0 "[ . 1 . 2]" 1
1672 1 17 LEU QD 1 18 ILE H 3.900 . 5.800 3.496 3.202 4.010 . 0 0 "[ . 1 . 2]" 1
1673 1 18 ILE H 1 18 ILE HB 2.800 . 3.800 2.570 2.500 2.695 . 0 0 "[ . 1 . 2]" 1
1674 1 18 ILE H 1 18 ILE HG13 2.600 . 3.500 2.071 1.895 2.198 . 0 0 "[ . 1 . 2]" 1
1675 1 18 ILE HB 1 19 ALA H 2.500 . 3.300 2.510 2.243 2.833 . 0 0 "[ . 1 . 2]" 1
1676 1 18 ILE MG 1 19 ALA H 3.900 . 5.800 3.383 3.179 3.592 . 0 0 "[ . 1 . 2]" 1
1677 1 19 ALA H 1 19 ALA HA 2.700 . 3.600 2.809 2.787 2.830 . 0 0 "[ . 1 . 2]" 1
1678 1 19 ALA H 1 19 ALA MB 2.500 . 3.300 2.237 2.222 2.250 . 0 0 "[ . 1 . 2]" 1
1679 1 19 ALA MB 1 20 ALA H 2.900 . 4.000 2.505 2.353 2.701 . 0 0 "[ . 1 . 2]" 1
1680 1 20 ALA H 1 21 ALA MB 3.800 . 5.600 4.391 4.281 4.451 . 0 0 "[ . 1 . 2]" 1
1681 1 19 ALA H 1 20 ALA H 2.700 . 3.600 2.693 2.577 2.803 . 0 0 "[ . 1 . 2]" 1
1682 1 20 ALA H 1 20 ALA MB 2.500 . 3.300 2.231 2.222 2.243 . 0 0 "[ . 1 . 2]" 1
1683 1 21 ALA H 1 22 MET H 2.600 . 3.400 2.752 2.636 2.879 . 0 0 "[ . 1 . 2]" 1
1684 1 17 LEU QB 1 21 ALA H 3.600 . 5.300 5.020 4.745 5.112 . 0 0 "[ . 1 . 2]" 1
1685 1 20 ALA MB 1 21 ALA H 2.800 . 3.800 2.423 2.244 2.575 . 0 0 "[ . 1 . 2]" 1
1686 1 21 ALA H 1 21 ALA HA 2.800 . 3.800 2.803 2.784 2.822 . 0 0 "[ . 1 . 2]" 1
1687 1 21 ALA H 1 21 ALA MB 2.400 . 3.100 2.235 2.220 2.253 . 0 0 "[ . 1 . 2]" 1
1688 1 21 ALA MB 1 22 MET H 3.000 . 4.100 2.445 2.292 2.616 . 0 0 "[ . 1 . 2]" 1
1689 1 22 MET H 1 22 MET HB3 3.600 . 5.200 3.151 2.544 3.608 . 0 0 "[ . 1 . 2]" 1
1690 1 22 MET H 1 22 MET HB2 2.400 . 3.100 2.310 2.090 2.471 . 0 0 "[ . 1 . 2]" 1
1691 1 22 MET H 1 22 MET QG 3.400 . 4.800 3.525 2.214 4.041 . 0 0 "[ . 1 . 2]" 1
1692 1 22 MET H 1 23 GLU H 2.600 . 3.500 2.618 2.500 2.697 . 0 0 "[ . 1 . 2]" 1
1693 1 22 MET HB2 1 23 GLU H 2.700 . 3.600 3.325 2.835 3.922 0.322 8 0 "[ . 1 . 2]" 1
1694 1 23 GLU H 1 23 GLU HA 2.500 . 3.300 2.869 2.817 2.904 . 0 0 "[ . 1 . 2]" 1
1695 1 23 GLU H 1 23 GLU HB2 2.400 . 3.100 2.543 2.283 2.790 . 0 0 "[ . 1 . 2]" 1
1696 1 23 GLU H 1 24 ARG H 2.400 . 3.100 2.529 2.387 2.758 . 0 0 "[ . 1 . 2]" 1
1697 1 23 GLU QG 1 24 ARG H 4.600 . 6.000 3.858 3.054 4.474 . 0 0 "[ . 1 . 2]" 1
1698 1 23 GLU HA 1 24 ARG H 2.900 . 3.900 3.517 3.345 3.584 . 0 0 "[ . 1 . 2]" 1
1699 1 23 GLU HB2 1 24 ARG H 3.500 . 5.000 3.650 2.653 4.084 . 0 0 "[ . 1 . 2]" 1
1700 1 24 ARG H 1 24 ARG HB3 3.400 . 4.800 3.057 2.481 3.696 . 0 0 "[ . 1 . 2]" 1
1701 1 24 ARG H 1 24 ARG HB2 2.700 . 3.600 2.502 2.293 2.797 . 0 0 "[ . 1 . 2]" 1
1702 1 24 ARG H 1 24 ARG QG 2.900 . 4.000 3.484 2.505 4.130 0.130 9 0 "[ . 1 . 2]" 1
1703 1 24 ARG H 1 24 ARG QD 5.100 . 6.000 4.240 3.772 4.631 . 0 0 "[ . 1 . 2]" 1
1704 1 24 ARG HB3 1 25 ASN H 3.500 . 5.000 3.714 2.546 4.439 . 0 0 "[ . 1 . 2]" 1
1705 1 24 ARG HB2 1 25 ASN H 3.400 . 4.800 4.010 3.600 4.478 . 0 0 "[ . 1 . 2]" 1
1706 1 23 GLU HA 1 25 ASN H 3.800 . 5.600 3.990 3.508 4.557 . 0 0 "[ . 1 . 2]" 1
1707 1 25 ASN H 1 26 PRO HD3 4.300 . 6.000 5.005 4.576 5.201 . 0 0 "[ . 1 . 2]" 1
1708 1 25 ASN H 1 25 ASN HB2 2.800 . 3.700 2.734 2.367 3.968 0.268 9 0 "[ . 1 . 2]" 1
1709 1 25 ASN H 1 25 ASN HB3 3.100 . 4.300 3.663 2.971 3.865 . 0 0 "[ . 1 . 2]" 1
1710 1 24 ARG HA 1 25 ASN H 3.000 . 4.200 3.240 2.967 3.540 . 0 0 "[ . 1 . 2]" 1
1711 1 24 ARG H 1 25 ASN H 2.300 . 3.000 2.530 2.133 2.855 . 0 0 "[ . 1 . 2]" 1
1712 1 25 ASN HA 1 27 THR H 4.400 . 6.000 4.138 3.719 5.576 . 0 0 "[ . 1 . 2]" 1
1713 1 26 PRO HA 1 27 THR H 2.700 . 3.600 3.095 2.129 3.419 . 0 0 "[ . 1 . 2]" 1
1714 1 26 PRO HB3 1 27 THR H 4.000 . 6.000 4.445 4.186 4.634 . 0 0 "[ . 1 . 2]" 1
1715 1 26 PRO HB2 1 27 THR H 2.700 . 3.600 3.310 2.831 3.766 0.166 5 0 "[ . 1 . 2]" 1
1716 1 27 THR H 1 27 THR HB 2.500 . 3.300 2.962 2.797 3.048 . 0 0 "[ . 1 . 2]" 1
1717 1 27 THR H 1 27 THR MG 2.900 . 3.900 2.891 1.844 3.208 0.056 12 0 "[ . 1 . 2]" 1
1718 1 27 THR H 1 28 GLN H 2.900 . 3.900 3.590 3.086 4.114 0.214 5 0 "[ . 1 . 2]" 1
1719 1 26 PRO HD2 1 27 THR H 3.600 . 5.300 3.490 2.770 5.369 0.069 12 0 "[ . 1 . 2]" 1
1720 1 28 GLN H 1 28 GLN HA 2.300 . 3.000 2.885 2.860 2.944 . 0 0 "[ . 1 . 2]" 1
1721 1 27 THR MG 1 28 GLN H 4.700 . 6.000 4.285 4.121 4.341 . 0 0 "[ . 1 . 2]" 1
1722 1 28 GLN H 1 28 GLN QB 2.400 . 3.100 2.588 2.415 2.946 . 0 0 "[ . 1 . 2]" 1
1723 1 28 GLN H 1 28 GLN QG 2.800 . 3.800 2.089 1.792 2.578 0.008 16 0 "[ . 1 . 2]" 1
1724 1 27 THR HA 1 29 PHE H 3.100 . 4.300 3.602 3.070 4.399 0.099 3 0 "[ . 1 . 2]" 1
1725 1 28 GLN QB 1 29 PHE H 3.300 . 4.700 3.736 1.834 4.030 0.066 3 0 "[ . 1 . 2]" 1
1726 1 28 GLN QG 1 29 PHE H 3.700 . 5.400 4.082 3.131 4.555 . 0 0 "[ . 1 . 2]" 1
1727 1 28 GLN HA 1 29 PHE H 2.700 . 3.600 2.924 2.446 3.536 . 0 0 "[ . 1 . 2]" 1
1728 1 29 PHE H 1 29 PHE HB3 3.800 . 5.600 3.692 3.608 4.062 . 0 0 "[ . 1 . 2]" 1
1729 1 29 PHE H 1 29 PHE HB2 2.800 . 3.800 2.612 2.453 3.508 . 0 0 "[ . 1 . 2]" 1
1730 1 30 GLN H 1 30 GLN HG2 3.100 . 4.300 3.352 1.895 4.850 0.550 17 1 "[ . 1 . + 2]" 1
1731 1 29 PHE HB3 1 30 GLN H 4.100 . 6.000 3.994 3.380 4.505 . 0 0 "[ . 1 . 2]" 1
1732 1 29 PHE HB2 1 30 GLN H 3.500 . 5.000 3.408 2.170 4.481 . 0 0 "[ . 1 . 2]" 1
1733 1 30 GLN H 1 30 GLN HB2 2.400 . 3.100 2.853 2.374 3.753 0.653 15 3 "[ . 1 * + - 2]" 1
1734 1 30 GLN HG2 1 31 LEU H 4.100 . 6.000 4.988 4.242 5.932 . 0 0 "[ . 1 . 2]" 1
1735 1 31 LEU H 1 32 PRO HD2 4.600 . 6.000 3.472 1.326 5.133 0.574 7 1 "[ . + 1 . 2]" 1
1736 1 30 GLN HA 1 31 LEU H 2.200 . 2.800 2.354 2.099 2.815 0.015 17 0 "[ . 1 . 2]" 1
1737 1 30 GLN H 1 31 LEU H 3.000 . 4.100 3.685 2.710 4.170 0.070 18 0 "[ . 1 . 2]" 1
1738 1 31 LEU H 1 31 LEU HA 3.000 . 4.100 2.911 2.797 2.948 . 0 0 "[ . 1 . 2]" 1
1739 1 31 LEU H 1 31 LEU HB3 2.800 . 3.800 3.304 2.525 3.761 . 0 0 "[ . 1 . 2]" 1
1740 1 31 LEU H 1 31 LEU HB2 2.200 . 2.800 2.579 2.322 3.309 0.509 9 1 "[ . +1 . 2]" 1
1741 1 31 LEU H 1 31 LEU QD 3.600 . 5.200 3.129 2.200 4.017 . 0 0 "[ . 1 . 2]" 1
1742 1 32 PRO HB2 1 33 ASN H 3.300 . 4.600 4.027 2.299 4.311 . 0 0 "[ . 1 . 2]" 1
1743 1 32 PRO HA 1 33 ASN H 2.300 . 3.000 2.302 2.155 2.802 . 0 0 "[ . 1 . 2]" 1
1744 1 32 PRO HB3 1 33 ASN H 4.000 . 6.000 4.193 3.418 4.665 . 0 0 "[ . 1 . 2]" 1
1745 1 32 PRO HD2 1 33 ASN H 3.800 . 5.600 4.994 3.848 5.544 . 0 0 "[ . 1 . 2]" 1
1746 1 33 ASN H 1 33 ASN HA 2.800 . 3.800 2.887 2.755 2.950 . 0 0 "[ . 1 . 2]" 1
1747 1 33 ASN H 1 33 ASN QB 2.800 . 3.700 2.493 2.244 3.170 . 0 0 "[ . 1 . 2]" 1
1748 1 34 GLU H 1 34 GLU HB2 2.700 . 3.600 3.208 2.334 3.905 0.305 19 0 "[ . 1 . 2]" 1
1749 1 34 GLU H 1 34 GLU HB3 2.900 . 4.000 2.874 2.488 3.618 . 0 0 "[ . 1 . 2]" 1
1750 1 33 ASN HA 1 34 GLU H 2.700 . 3.600 3.358 2.141 3.578 . 0 0 "[ . 1 . 2]" 1
1751 1 34 GLU H 1 34 GLU HA 2.900 . 3.900 2.841 2.247 2.948 . 0 0 "[ . 1 . 2]" 1
1752 1 34 GLU H 1 34 GLU QG 3.200 . 4.500 3.315 2.006 4.332 . 0 0 "[ . 1 . 2]" 1
1753 1 34 GLU HB2 1 35 LEU H 3.400 . 4.900 3.884 2.026 4.391 . 0 0 "[ . 1 . 2]" 1
1754 1 35 LEU H 1 35 LEU HB2 2.400 . 3.100 2.569 2.132 3.160 0.060 16 0 "[ . 1 . 2]" 1
1755 1 34 GLU HA 1 35 LEU H 2.600 . 3.400 3.040 2.134 3.531 0.131 6 0 "[ . 1 . 2]" 1
1756 1 34 GLU QG 1 35 LEU H 4.300 . 6.000 3.172 2.292 4.428 . 0 0 "[ . 1 . 2]" 1
1757 1 35 LEU H 1 35 LEU HA 2.800 . 3.800 2.664 2.249 2.940 . 0 0 "[ . 1 . 2]" 1
1758 1 35 LEU H 1 35 LEU QD 4.000 . 6.000 2.659 1.567 3.710 0.433 13 0 "[ . 1 . 2]" 1
1759 1 35 LEU HB2 1 36 THR H 3.300 . 4.700 3.257 2.467 3.920 . 0 0 "[ . 1 . 2]" 1
1760 1 36 THR H 1 36 THR HB 3.000 . 4.200 3.259 2.559 4.060 . 0 0 "[ . 1 . 2]" 1
1761 1 36 THR H 1 36 THR MG 3.400 . 4.800 3.203 2.087 4.028 . 0 0 "[ . 1 . 2]" 1
1762 1 37 CYS H 1 38 THR HA 3.200 . 4.500 4.545 4.166 4.766 0.266 17 0 "[ . 1 . 2]" 1
1763 1 37 CYS H 1 37 CYS QB 3.100 . 4.300 2.733 2.392 3.006 . 0 0 "[ . 1 . 2]" 1
1764 1 36 THR HA 1 38 THR H 3.900 . 5.800 4.315 3.599 5.828 0.028 5 0 "[ . 1 . 2]" 1
1765 1 36 THR HB 1 38 THR H 4.100 . 6.000 5.382 3.732 6.079 0.079 16 0 "[ . 1 . 2]" 1
1766 1 37 CYS HA 1 38 THR H 3.000 . 4.100 3.341 2.351 3.571 . 0 0 "[ . 1 . 2]" 1
1767 1 37 CYS QB 1 38 THR H 4.300 . 6.000 3.083 2.076 4.033 . 0 0 "[ . 1 . 2]" 1
1768 1 38 THR H 1 38 THR MG 3.500 . 5.100 2.703 1.898 3.827 0.002 6 0 "[ . 1 . 2]" 1
1769 1 39 THR MG 1 40 ALA H 4.100 . 6.000 3.830 2.395 4.397 . 0 0 "[ . 1 . 2]" 1
1770 1 40 ALA H 1 40 ALA MB 3.100 . 4.300 2.557 2.252 2.944 . 0 0 "[ . 1 . 2]" 1
1771 1 40 ALA MB 1 41 LEU H 3.800 . 5.600 3.155 2.226 3.662 . 0 0 "[ . 1 . 2]" 1
1772 1 42 PRO HA 1 43 GLY H 2.800 . 3.800 2.924 2.157 3.577 . 0 0 "[ . 1 . 2]" 1
1773 1 43 GLY H 1 44 SER H 3.300 . 4.600 3.658 2.365 4.565 . 0 0 "[ . 1 . 2]" 1
1774 1 33 ASN QB 1 34 GLU H 3.100 . 4.300 2.661 1.875 3.627 0.025 1 0 "[ . 1 . 2]" 1
1775 1 39 THR HB 1 40 ALA H 3.600 . 5.200 3.751 2.373 4.444 . 0 0 "[ . 1 . 2]" 1
1776 1 7 GLN H 1 8 PRO HD3 3.000 . 4.100 3.842 2.555 4.236 0.136 3 0 "[ . 1 . 2]" 1
1777 1 35 LEU H 1 36 THR H 2.600 . 3.400 2.654 1.742 3.453 0.058 6 0 "[ . 1 . 2]" 1
1778 1 10 LEU H 1 11 ARG H 2.600 . 3.500 2.764 1.795 3.669 0.169 16 0 "[ . 1 . 2]" 1
1779 1 10 LEU HB2 1 11 ARG H 2.900 . 4.000 3.745 2.124 4.608 0.608 19 2 "[ . 1 -. +2]" 1
1780 1 34 GLU H 1 35 LEU HB2 3.700 . 5.400 4.347 3.196 5.491 0.091 6 0 "[ . 1 . 2]" 1
1781 1 9 GLN H 1 10 LEU H 2.600 . 3.500 2.819 1.690 3.575 0.075 9 0 "[ . 1 . 2]" 1
1782 1 16 LEU H 1 17 LEU H 2.500 . 3.300 2.575 2.452 2.784 . 0 0 "[ . 1 . 2]" 1
1783 1 19 ALA H 1 21 ALA H 4.300 . 6.000 4.228 4.018 4.445 . 0 0 "[ . 1 . 2]" 1
1784 1 25 ASN H 1 25 ASN HD21 2.800 . 3.800 3.103 2.404 3.902 0.102 1 0 "[ . 1 . 2]" 1
1785 1 33 ASN H 1 36 THR H 3.400 . 4.900 4.468 3.270 5.009 0.109 15 0 "[ . 1 . 2]" 1
1786 1 36 THR H 1 37 CYS H 2.800 . 3.800 2.954 2.119 3.902 0.102 16 0 "[ . 1 . 2]" 1
1787 1 2 ASN HB2 1 2 ASN HD21 3.200 . 4.500 2.812 2.195 3.506 . 0 0 "[ . 1 . 2]" 1
1788 1 7 GLN HE21 1 7 GLN QG 3.000 . 4.200 2.365 2.148 2.812 . 0 0 "[ . 1 . 2]" 1
1789 1 11 ARG HE 1 11 ARG QG 3.400 . 4.800 2.440 2.254 3.182 . 0 0 "[ . 1 . 2]" 1
1790 1 12 ARG HE 1 12 ARG QG 3.400 . 4.800 2.350 2.232 2.564 . 0 0 "[ . 1 . 2]" 1
1791 1 24 ARG HE 1 24 ARG QG 4.100 . 6.000 2.405 2.253 2.962 . 0 0 "[ . 1 . 2]" 1
1792 1 24 ARG QD 1 24 ARG HE 3.600 . 5.200 2.445 2.328 2.498 . 0 0 "[ . 1 . 2]" 1
1793 1 28 GLN HE21 1 28 GLN QG 3.000 . 4.100 2.310 2.159 2.807 . 0 0 "[ . 1 . 2]" 1
1794 1 30 GLN HE21 1 30 GLN HG2 3.300 . 4.600 2.819 2.218 3.489 . 0 0 "[ . 1 . 2]" 1
1795 2 13 PHE QD 2 17 ILE HG12 3.100 . 4.300 3.678 3.357 3.864 . 0 0 "[ . 1 . 2]" 1
1796 2 34 TYR QD 2 38 LEU HB3 3.900 . 5.800 4.846 4.235 5.634 . 0 0 "[ . 1 . 2]" 1
1797 2 68 TYR QD 2 89 LEU HG 3.500 . 5.000 4.405 2.961 5.062 0.062 10 0 "[ . 1 . 2]" 1
1798 2 19 TYR QD 2 22 LYS HB3 3.700 . 5.400 3.214 2.824 3.624 . 0 0 "[ . 1 . 2]" 1
1799 2 19 TYR QE 2 84 GLU HB2 3.000 . 4.100 2.590 1.940 4.105 0.005 13 0 "[ . 1 . 2]" 1
1800 2 19 TYR QE 2 84 GLU HB3 3.000 . 4.100 3.085 2.024 3.988 . 0 0 "[ . 1 . 2]" 1
1801 2 44 TYR QE 2 48 GLN HB2 3.400 . 4.900 3.351 2.547 3.913 . 0 0 "[ . 1 . 2]" 1
1802 2 68 TYR QD 2 85 PHE QE 1.900 . 2.300 2.315 2.181 2.368 0.068 9 0 "[ . 1 . 2]" 1
1803 2 68 TYR HA 2 85 PHE QE 3.000 . 4.100 2.807 2.313 3.183 . 0 0 "[ . 1 . 2]" 1
1804 2 37 PHE QE 2 85 PHE QE 2.200 . 2.800 2.507 1.889 2.826 0.026 18 0 "[ . 1 . 2]" 1
1805 2 82 LEU HA 2 85 PHE QD 3.900 . 5.800 4.249 3.921 4.753 . 0 0 "[ . 1 . 2]" 1
1806 2 13 PHE QB 2 13 PHE QD 3.100 . 4.300 2.129 2.123 2.136 . 0 0 "[ . 1 . 2]" 1
1807 2 13 PHE HB2 2 13 PHE QD 3.200 . 4.400 2.508 2.411 2.558 . 0 0 "[ . 1 . 2]" 1
1808 2 13 PHE QD 2 17 ILE MD 3.000 . 4.100 3.662 3.281 4.034 . 0 0 "[ . 1 . 2]" 1
1809 2 13 PHE QD 2 17 ILE HG12 2.800 . 3.800 3.617 3.321 3.793 . 0 0 "[ . 1 . 2]" 1
1810 2 13 PHE QE 2 17 ILE MD 3.200 . 4.500 2.827 2.489 3.077 . 0 0 "[ . 1 . 2]" 1
1811 2 19 TYR HB2 2 19 TYR QD 2.700 . 3.600 2.593 2.510 2.648 . 0 0 "[ . 1 . 2]" 1
1812 2 23 ILE HA 2 27 PHE QD 3.600 . 5.200 3.682 3.217 4.382 . 0 0 "[ . 1 . 2]" 1
1813 2 23 ILE MG 2 27 PHE QD 2.600 . 3.500 2.723 2.045 3.599 0.099 18 0 "[ . 1 . 2]" 1
1814 2 27 PHE HA 2 27 PHE QD 2.800 . 3.800 2.659 2.299 2.939 . 0 0 "[ . 1 . 2]" 1
1815 2 27 PHE HB3 2 27 PHE QD 3.200 . 4.500 2.485 2.386 2.629 . 0 0 "[ . 1 . 2]" 1
1816 2 27 PHE HB2 2 27 PHE QD 2.900 . 4.000 2.318 2.271 2.392 . 0 0 "[ . 1 . 2]" 1
1817 2 27 PHE QD 2 30 GLN HB3 3.700 . 5.400 3.898 2.674 5.063 . 0 0 "[ . 1 . 2]" 1
1818 2 27 PHE QD 2 30 GLN HB2 3.400 . 4.800 3.552 2.113 4.827 0.027 19 0 "[ . 1 . 2]" 1
1819 2 27 PHE QD 2 33 ILE HB 3.600 . 5.200 3.712 3.177 4.807 . 0 0 "[ . 1 . 2]" 1
1820 2 27 PHE QD 2 33 ILE HB 3.800 . 5.600 3.260 2.251 4.625 . 0 0 "[ . 1 . 2]" 1
1821 2 27 PHE QD 2 33 ILE MD 2.900 . 4.000 2.918 2.234 4.072 0.072 11 0 "[ . 1 . 2]" 1
1822 2 27 PHE QD 2 33 ILE MG 3.600 . 5.200 3.158 2.834 3.825 . 0 0 "[ . 1 . 2]" 1
1823 2 23 ILE MG 2 34 TYR QD 2.400 . 3.100 1.935 1.736 2.131 . 0 0 "[ . 1 . 2]" 1
1824 2 34 TYR QB 2 34 TYR QD 2.500 . 3.300 2.147 2.136 2.180 . 0 0 "[ . 1 . 2]" 1
1825 2 20 VAL QG 2 34 TYR QE 2.800 . 3.800 2.693 2.045 3.198 . 0 0 "[ . 1 . 2]" 1
1826 2 42 HIS HA 2 42 HIS HD2 3.100 . 4.300 2.729 2.199 3.133 . 0 0 "[ . 1 . 2]" 1
1827 2 44 TYR HB3 2 44 TYR QD 2.900 . 3.900 2.361 2.276 2.467 . 0 0 "[ . 1 . 2]" 1
1828 2 44 TYR QD 2 62 LEU QD 2.600 . 3.500 3.128 2.129 3.580 0.080 5 0 "[ . 1 . 2]" 1
1829 2 44 TYR QE 2 62 LEU QD 3.700 . 5.400 4.869 4.059 5.271 . 0 0 "[ . 1 . 2]" 1
1830 2 51 ALA HA 2 58 TYR QD 2.900 . 4.000 2.300 1.759 2.956 0.041 1 0 "[ . 1 . 2]" 1
1831 2 58 TYR QD 2 60 PRO HA 3.500 . 5.000 3.793 3.225 4.566 . 0 0 "[ . 1 . 2]" 1
1832 2 51 ALA MB 2 58 TYR QD 2.700 . 3.600 2.522 1.991 3.607 0.007 13 0 "[ . 1 . 2]" 1
1833 2 58 TYR HB3 2 58 TYR QD 2.600 . 3.500 2.340 2.274 2.493 . 0 0 "[ . 1 . 2]" 1
1834 2 34 TYR QE 2 38 LEU QD 3.000 . 4.200 2.861 1.854 3.807 . 0 0 "[ . 1 . 2]" 1
1835 2 19 TYR QE 2 84 GLU QG 3.800 . 5.600 3.579 2.733 4.384 . 0 0 "[ . 1 . 2]" 1
1836 2 58 TYR QE 2 60 PRO HA 2.600 . 3.400 2.772 2.154 3.632 0.232 6 0 "[ . 1 . 2]" 1
1837 2 68 TYR HB3 2 68 TYR QD 2.800 . 3.800 2.288 2.276 2.305 . 0 0 "[ . 1 . 2]" 1
1838 2 68 TYR HA 2 68 TYR QD 3.000 . 4.100 2.364 2.093 2.622 . 0 0 "[ . 1 . 2]" 1
1839 2 68 TYR HB2 2 68 TYR QD 3.000 . 4.100 2.622 2.520 2.714 . 0 0 "[ . 1 . 2]" 1
1840 2 68 TYR QD 2 69 ALA HA 3.300 . 4.700 4.146 3.658 4.575 . 0 0 "[ . 1 . 2]" 1
1841 2 68 TYR QD 2 72 ALA MB 3.500 . 5.000 4.088 3.794 4.317 . 0 0 "[ . 1 . 2]" 1
1842 2 33 ILE MG 2 75 PHE QD 3.500 . 5.100 3.019 2.235 3.909 . 0 0 "[ . 1 . 2]" 1
1843 2 71 VAL QG 2 75 PHE QD 3.400 . 4.900 2.392 1.883 3.593 0.017 2 0 "[ . 1 . 2]" 1
1844 2 75 PHE HA 2 75 PHE QD 2.700 . 3.600 2.132 1.881 3.053 . 0 0 "[ . 1 . 2]" 1
1845 2 75 PHE HB2 2 75 PHE QD 3.100 . 4.300 2.368 2.275 2.583 . 0 0 "[ . 1 . 2]" 1
1846 2 68 TYR QD 2 85 PHE QD 2.600 . 3.500 2.174 1.660 2.740 0.040 3 0 "[ . 1 . 2]" 1
1847 2 85 PHE HA 2 85 PHE QD 2.900 . 4.000 2.808 2.526 2.982 . 0 0 "[ . 1 . 2]" 1
1848 2 85 PHE HB3 2 85 PHE QD 2.900 . 4.000 2.356 2.288 2.425 . 0 0 "[ . 1 . 2]" 1
1849 2 23 ILE QG 2 34 TYR QD 3.600 . 5.200 4.636 3.959 4.834 . 0 0 "[ . 1 . 2]" 1
1850 2 88 PHE HA 2 88 PHE QD 2.700 . 3.600 2.540 2.112 2.913 . 0 0 "[ . 1 . 2]" 1
1851 2 88 PHE HB2 2 88 PHE QD 3.300 . 4.600 2.302 2.268 2.398 . 0 0 "[ . 1 . 2]" 1
1852 2 88 PHE HB3 2 88 PHE QD 2.900 . 4.000 2.529 2.370 2.679 . 0 0 "[ . 1 . 2]" 1
1853 2 16 ALA HA 2 88 PHE QE 3.100 . 4.300 2.985 2.286 3.521 . 0 0 "[ . 1 . 2]" 1
1854 2 16 ALA MB 2 88 PHE QE 2.900 . 4.000 2.656 2.044 3.582 . 0 0 "[ . 1 . 2]" 1
1855 2 34 TYR QD 2 75 PHE HZ 3.600 . 5.200 4.560 3.509 5.249 0.049 7 0 "[ . 1 . 2]" 1
1856 2 85 PHE QD 2 89 LEU QD 3.900 . 5.800 3.222 2.171 4.454 . 0 0 "[ . 1 . 2]" 1
1857 2 16 ALA HA 2 19 TYR QD 4.700 . 6.000 3.732 3.338 4.046 . 0 0 "[ . 1 . 2]" 1
1858 2 85 PHE QE 2 89 LEU QD 2.900 . 3.900 2.475 1.828 3.564 0.072 10 0 "[ . 1 . 2]" 1
1859 2 26 ARG QG 2 27 PHE QE 2.900 . 4.000 3.178 2.577 3.918 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 23
_Distance_constraint_stats_list.Viol_count 30
_Distance_constraint_stats_list.Viol_total 28.098
_Distance_constraint_stats_list.Viol_max 0.106
_Distance_constraint_stats_list.Viol_rms 0.0139
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0468
_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 5 TYR 0.144 0.074 9 0 "[ . 1 . 2]"
1 6 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLN 0.144 0.074 9 0 "[ . 1 . 2]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ILE 0.022 0.013 5 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLN 0.632 0.093 8 0 "[ . 1 . 2]"
1 29 PHE 1.261 0.106 9 0 "[ . 1 . 2]"
1 31 LEU 0.606 0.106 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 22 MET QB 1 29 PHE QD 3.000 . 6.000 4.833 3.920 5.887 . 0 0 "[ . 1 . 2]" 2
2 1 28 GLN QG 1 29 PHE QD 3.000 . 6.000 4.690 3.234 5.523 . 0 0 "[ . 1 . 2]" 2
3 1 28 GLN HA 1 29 PHE QE 3.000 . 6.000 5.996 5.687 6.093 0.093 8 0 "[ . 1 . 2]" 2
4 1 5 TYR QD 1 6 VAL QG 3.000 . 6.000 4.708 4.171 5.110 . 0 0 "[ . 1 . 2]" 2
5 1 5 TYR QE 1 7 GLN QG 3.000 . 6.000 3.993 2.385 5.568 . 0 0 "[ . 1 . 2]" 2
6 1 5 TYR QE 1 7 GLN HA 3.000 . 6.000 4.573 2.848 6.074 0.074 9 0 "[ . 1 . 2]" 2
7 1 14 PHE QD 1 17 LEU QD 3.000 . 6.000 3.953 2.827 4.882 . 0 0 "[ . 1 . 2]" 2
8 1 14 PHE QE 1 17 LEU QD 3.000 . 6.000 3.971 2.344 5.820 . 0 0 "[ . 1 . 2]" 2
9 1 14 PHE QE 1 18 ILE MD 3.000 . 6.000 3.265 2.392 4.256 . 0 0 "[ . 1 . 2]" 2
10 1 21 ALA HA 1 29 PHE QD 3.000 . 6.000 4.625 3.715 5.665 . 0 0 "[ . 1 . 2]" 2
11 1 22 MET QB 1 29 PHE QD 3.000 . 6.000 3.271 2.147 4.294 . 0 0 "[ . 1 . 2]" 2
12 1 28 GLN HA 1 29 PHE QD 3.000 . 6.000 4.827 4.386 5.285 . 0 0 "[ . 1 . 2]" 2
13 1 28 GLN QB 1 29 PHE QD 3.000 . 6.000 4.691 3.929 5.489 . 0 0 "[ . 1 . 2]" 2
14 1 29 PHE HA 1 29 PHE QD 3.000 . 6.000 2.850 2.578 3.110 . 0 0 "[ . 1 . 2]" 2
15 1 29 PHE QD 1 31 LEU QD 3.000 . 6.000 4.677 3.851 5.690 . 0 0 "[ . 1 . 2]" 2
16 1 28 GLN QG 1 29 PHE QE 3.000 . 6.000 4.751 3.195 5.907 . 0 0 "[ . 1 . 2]" 2
17 1 22 MET QB 1 29 PHE QE 3.000 . 6.000 3.037 1.764 4.906 . 0 0 "[ . 1 . 2]" 2
18 1 18 ILE MG 1 29 PHE QE 3.000 . 6.000 5.184 2.821 6.013 0.013 5 0 "[ . 1 . 2]" 2
19 1 21 ALA MB 1 29 PHE QE 3.000 . 6.000 4.796 3.327 5.758 . 0 0 "[ . 1 . 2]" 2
20 1 21 ALA HA 1 29 PHE QE 3.000 . 6.000 3.852 1.777 5.575 . 0 0 "[ . 1 . 2]" 2
21 1 25 ASN QB 1 29 PHE QE 3.000 . 6.000 4.684 2.954 5.913 . 0 0 "[ . 1 . 2]" 2
22 1 29 PHE QE 1 31 LEU QD 3.000 . 6.000 5.914 5.385 6.106 0.106 9 0 "[ . 1 . 2]" 2
23 1 5 TYR QD 1 7 GLN QG 3.000 . 6.000 4.834 2.974 6.070 0.070 10 0 "[ . 1 . 2]" 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 109
_Distance_constraint_stats_list.Viol_count 129
_Distance_constraint_stats_list.Viol_total 260.956
_Distance_constraint_stats_list.Viol_max 0.594
_Distance_constraint_stats_list.Viol_rms 0.0391
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.1011
_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 10 LEU 2.083 0.574 7 2 "[ - . + 1 . 2]"
1 14 PHE 0.570 0.153 10 0 "[ . 1 . 2]"
1 15 GLU 2.135 0.580 3 1 "[ + . 1 . 2]"
1 16 LEU 1.784 0.148 10 0 "[ . 1 . 2]"
1 17 LEU 0.920 0.201 2 0 "[ . 1 . 2]"
1 18 ILE 3.449 0.594 10 1 "[ . + . 2]"
1 19 ALA 0.039 0.022 16 0 "[ . 1 . 2]"
1 20 ALA 0.144 0.023 10 0 "[ . 1 . 2]"
1 21 ALA 1.131 0.119 16 0 "[ . 1 . 2]"
1 22 MET 0.038 0.024 1 0 "[ . 1 . 2]"
1 23 GLU 2.283 0.580 3 1 "[ + . 1 . 2]"
1 24 ARG 0.263 0.098 12 0 "[ . 1 . 2]"
1 25 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 PHE 0.361 0.152 6 0 "[ . 1 . 2]"
2 8 ASN 0.721 0.504 3 1 "[ + . 1 . 2]"
2 9 GLN 1.319 0.574 7 1 "[ . + 1 . 2]"
2 10 PRO 0.042 0.042 4 0 "[ . 1 . 2]"
2 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 GLU 0.234 0.148 10 0 "[ . 1 . 2]"
2 13 PHE 2.788 0.580 3 1 "[ + . 1 . 2]"
2 16 ALA 1.343 0.154 16 0 "[ . 1 . 2]"
2 17 ILE 0.361 0.092 19 0 "[ . 1 . 2]"
2 19 TYR 0.595 0.201 2 0 "[ . 1 . 2]"
2 20 VAL 0.730 0.119 16 0 "[ . 1 . 2]"
2 34 TYR 0.479 0.099 6 0 "[ . 1 . 2]"
2 37 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 38 LEU 0.361 0.152 6 0 "[ . 1 . 2]"
2 41 LEU 3.240 0.594 10 1 "[ . + . 2]"
2 42 HIS 0.038 0.024 1 0 "[ . 1 . 2]"
2 44 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 45 GLN 0.279 0.251 15 0 "[ . 1 . 2]"
2 67 VAL 0.287 0.121 6 0 "[ . 1 . 2]"
2 68 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 85 PHE 0.007 0.004 2 0 "[ . 1 . 2]"
2 88 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 89 LEU 0.231 0.153 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 21 ALA MB 2 34 TYR QD 4.100 . 6.000 5.916 5.596 6.099 0.099 6 0 "[ . 1 . 2]" 3
2 1 17 LEU QD 2 16 ALA HA 4.300 . 6.000 3.036 2.385 3.772 . 0 0 "[ . 1 . 2]" 3
3 1 17 LEU QD 2 17 ILE HA 4.200 . 6.000 3.981 3.426 4.445 . 0 0 "[ . 1 . 2]" 3
4 1 21 ALA MB 2 13 PHE QE 3.800 . 6.000 5.756 5.323 6.004 0.004 2 0 "[ . 1 . 2]" 3
5 1 18 ILE MG 2 41 LEU HA 4.000 . 6.000 5.104 4.279 5.731 . 0 0 "[ . 1 . 2]" 3
6 1 18 ILE MG 2 45 GLN HG3 3.500 . 5.000 3.425 2.099 4.833 . 0 0 "[ . 1 . 2]" 3
7 1 16 LEU QD 2 12 GLU QG 3.400 . 4.800 2.857 1.852 4.341 0.148 10 0 "[ . 1 . 2]" 3
8 1 16 LEU QD 2 16 ALA MB 3.400 . 4.300 2.021 1.866 2.541 0.134 11 0 "[ . 1 . 2]" 3
9 1 16 LEU QD 2 13 PHE HA 3.400 . 4.500 2.105 1.752 3.380 0.148 20 0 "[ . 1 . 2]" 3
10 1 16 LEU QD 2 13 PHE QB 4.100 . 5.400 2.830 2.075 4.087 . 0 0 "[ . 1 . 2]" 3
11 1 16 LEU QD 2 13 PHE QD 3.200 . 4.400 2.760 1.975 3.912 0.025 20 0 "[ . 1 . 2]" 3
12 1 15 GLU HB3 2 13 PHE QD 3.600 . 6.000 5.989 5.638 6.580 0.580 3 1 "[ + . 1 . 2]" 3
13 1 23 GLU HB2 2 17 ILE MD 3.600 . 5.200 3.838 2.920 5.292 0.092 19 0 "[ . 1 . 2]" 3
14 1 16 LEU QD 2 12 GLU HB3 3.300 . 4.700 2.630 1.998 3.773 . 0 0 "[ . 1 . 2]" 3
15 1 16 LEU QD 2 11 VAL QG 4.200 . 6.000 5.090 4.492 5.533 . 0 0 "[ . 1 . 2]" 3
16 1 16 LEU QD 2 12 GLU HB2 3.700 . 5.400 3.379 2.158 4.393 . 0 0 "[ . 1 . 2]" 3
17 1 17 LEU HA 2 16 ALA MB 3.000 . 4.100 2.401 1.872 3.277 0.028 2 0 "[ . 1 . 2]" 3
18 1 17 LEU QD 2 19 TYR QE 3.900 . 5.800 2.754 2.359 3.173 . 0 0 "[ . 1 . 2]" 3
19 1 17 LEU QD 2 37 PHE QE 3.600 . 5.200 2.945 2.393 3.431 . 0 0 "[ . 1 . 2]" 3
20 1 17 LEU QD 2 85 PHE QE 3.000 . 4.100 2.670 2.112 3.363 . 0 0 "[ . 1 . 2]" 3
21 1 17 LEU QD 2 41 LEU QD 3.500 . 5.100 2.433 2.025 2.937 . 0 0 "[ . 1 . 2]" 3
22 1 17 LEU QD 2 16 ALA MB 3.100 . 4.300 2.238 1.746 3.209 0.154 16 0 "[ . 1 . 2]" 3
23 1 17 LEU QD 2 20 VAL QG 2.900 . 3.900 2.487 2.039 3.029 . 0 0 "[ . 1 . 2]" 3
24 1 17 LEU QD 2 19 TYR QE 3.300 . 4.600 2.776 2.366 3.257 . 0 0 "[ . 1 . 2]" 3
25 1 17 LEU QD 2 19 TYR QD 3.000 . 4.100 2.072 1.699 2.811 0.201 2 0 "[ . 1 . 2]" 3
26 1 18 ILE MD 2 45 GLN HB2 3.700 . 5.400 3.402 2.061 5.329 . 0 0 "[ . 1 . 2]" 3
27 1 18 ILE MD 2 44 TYR QD 3.300 . 4.600 2.464 2.040 3.092 . 0 0 "[ . 1 . 2]" 3
28 1 18 ILE MD 2 44 TYR QE 3.500 . 5.000 2.737 2.001 3.843 . 0 0 "[ . 1 . 2]" 3
29 1 19 ALA MB 2 13 PHE QE 2.800 . 3.800 2.150 1.778 3.323 0.022 16 0 "[ . 1 . 2]" 3
30 1 20 ALA HA 2 13 PHE QE 2.900 . 4.000 3.515 2.936 4.022 0.022 4 0 "[ . 1 . 2]" 3
31 1 20 ALA HA 2 17 ILE HG12 3.400 . 4.800 4.028 3.585 4.567 . 0 0 "[ . 1 . 2]" 3
32 1 20 ALA HA 2 17 ILE MD 3.700 . 4.900 2.265 1.977 2.698 0.023 10 0 "[ . 1 . 2]" 3
33 1 20 ALA MB 2 13 PHE QR 3.100 . 4.300 3.229 2.692 3.815 . 0 0 "[ . 1 . 2]" 3
34 1 20 ALA MB 2 16 ALA MB 2.800 . 3.800 2.186 1.969 2.432 . 0 0 "[ . 1 . 2]" 3
35 1 20 ALA MB 2 17 ILE HA 3.000 . 4.100 2.498 2.174 2.903 . 0 0 "[ . 1 . 2]" 3
36 1 20 ALA MB 2 17 ILE HG12 3.000 . 4.100 3.412 2.867 4.022 . 0 0 "[ . 1 . 2]" 3
37 1 20 ALA MB 2 17 ILE MD 3.300 . 4.700 1.934 1.888 2.028 0.012 13 0 "[ . 1 . 2]" 3
38 1 20 ALA MB 2 20 VAL QG 2.900 . 3.900 2.304 1.981 2.648 0.019 12 0 "[ . 1 . 2]" 3
39 1 21 ALA HA 2 20 VAL QG 2.900 . 3.900 2.154 1.881 2.586 0.119 16 0 "[ . 1 . 2]" 3
40 1 21 ALA MB 2 20 VAL QG 3.200 . 4.400 2.708 2.420 3.159 . 0 0 "[ . 1 . 2]" 3
41 1 21 ALA MB 2 38 LEU QD 2.800 . 3.800 2.847 2.334 3.674 . 0 0 "[ . 1 . 2]" 3
42 1 21 ALA MB 2 41 LEU QD 3.000 . 4.100 2.275 1.989 2.552 . 0 0 "[ . 1 . 2]" 3
43 1 23 GLU QG 2 13 PHE QE 3.600 . 5.200 4.040 3.214 5.229 0.029 18 0 "[ . 1 . 2]" 3
44 1 23 GLU QG 2 17 ILE MD 3.400 . 4.800 3.515 2.100 4.827 0.027 7 0 "[ . 1 . 2]" 3
45 1 24 ARG QG 2 17 ILE MD 3.700 . 5.200 3.504 2.198 5.089 . 0 0 "[ . 1 . 2]" 3
46 1 24 ARG QG 2 17 ILE MG 3.200 . 4.500 2.828 1.948 4.369 . 0 0 "[ . 1 . 2]" 3
47 1 24 ARG QG 2 20 VAL QG 3.600 . 5.300 2.853 2.049 4.012 . 0 0 "[ . 1 . 2]" 3
48 1 28 GLN QG 2 38 LEU QD 3.300 . 4.700 3.643 2.114 4.573 . 0 0 "[ . 1 . 2]" 3
49 1 18 ILE MG 2 45 GLN HB2 3.300 . 4.600 3.441 2.562 4.851 0.251 15 0 "[ . 1 . 2]" 3
50 1 21 ALA MB 2 34 TYR QE 3.800 . 5.600 3.981 3.710 4.205 . 0 0 "[ . 1 . 2]" 3
51 1 25 ASN HB2 2 38 LEU QD 3.900 . 5.800 3.744 3.219 4.733 . 0 0 "[ . 1 . 2]" 3
52 1 25 ASN HB3 2 38 LEU QD 3.900 . 5.800 3.764 3.132 4.906 . 0 0 "[ . 1 . 2]" 3
53 1 24 ARG QD 2 17 ILE MD 3.400 . 4.900 3.711 2.419 4.937 0.037 13 0 "[ . 1 . 2]" 3
54 1 24 ARG QD 2 17 ILE MG 3.400 . 4.800 2.574 1.955 4.246 0.045 10 0 "[ . 1 . 2]" 3
55 1 24 ARG QD 2 20 VAL QG 3.400 . 4.800 3.955 2.690 4.586 . 0 0 "[ . 1 . 2]" 3
56 1 18 ILE MD 2 41 LEU HA 3.700 . 5.400 4.473 3.062 5.218 . 0 0 "[ . 1 . 2]" 3
57 1 18 ILE MD 2 45 GLN HA 3.700 . 5.400 3.562 2.766 4.595 . 0 0 "[ . 1 . 2]" 3
58 1 16 LEU HA 2 13 PHE QR 3.600 . 5.200 2.961 2.225 4.162 . 0 0 "[ . 1 . 2]" 3
59 1 22 MET ME 2 38 LEU QD 3.500 . 5.000 4.059 2.342 4.865 . 0 0 "[ . 1 . 2]" 3
60 1 22 MET ME 2 42 HIS HD2 4.200 . 6.000 4.943 3.354 6.024 0.024 1 0 "[ . 1 . 2]" 3
61 1 22 MET ME 2 42 HIS HA 4.800 . 6.000 4.629 2.795 5.987 . 0 0 "[ . 1 . 2]" 3
62 1 10 LEU QD 2 9 GLN QG 3.300 . 4.700 3.014 1.731 4.091 0.269 9 0 "[ . 1 . 2]" 3
63 1 10 LEU QD 2 8 ASN HB2 3.400 . 4.800 4.183 2.897 5.304 0.504 3 1 "[ + . 1 . 2]" 3
64 1 10 LEU QD 2 10 PRO QG 4.100 . 6.000 5.127 3.286 6.042 0.042 4 0 "[ . 1 . 2]" 3
65 1 21 ALA MB 2 16 ALA MB 4.100 . 6.000 5.457 5.013 6.014 0.014 4 0 "[ . 1 . 2]" 3
66 1 16 LEU HA 2 16 ALA MB 4.600 . 6.000 4.804 4.176 5.297 . 0 0 "[ . 1 . 2]" 3
67 1 20 ALA HA 2 16 ALA MB 4.600 . 6.000 4.379 4.097 4.654 . 0 0 "[ . 1 . 2]" 3
68 1 20 ALA MB 2 17 ILE HB 5.000 . 6.000 4.652 4.356 5.004 . 0 0 "[ . 1 . 2]" 3
69 1 20 ALA HA 2 17 ILE HG13 4.900 . 6.000 4.933 4.451 5.460 . 0 0 "[ . 1 . 2]" 3
70 1 20 ALA MB 2 17 ILE HG13 3.800 . 5.700 4.366 4.083 4.575 . 0 0 "[ . 1 . 2]" 3
71 1 20 ALA HA 2 17 ILE HG12 4.600 . 6.000 4.474 3.732 5.109 . 0 0 "[ . 1 . 2]" 3
72 1 16 LEU QB 2 17 ILE MD 4.600 . 6.000 5.665 5.173 5.836 . 0 0 "[ . 1 . 2]" 3
73 1 16 LEU QD 2 17 ILE MD 4.500 . 6.000 4.867 3.241 5.712 . 0 0 "[ . 1 . 2]" 3
74 1 24 ARG HB3 2 17 ILE MD 4.500 . 6.000 4.672 3.735 5.878 . 0 0 "[ . 1 . 2]" 3
75 1 24 ARG HG3 2 17 ILE MG 3.700 . 5.400 3.529 2.204 5.372 . 0 0 "[ . 1 . 2]" 3
76 1 20 ALA HA 2 17 ILE MG 5.000 . 6.000 4.551 3.907 5.007 . 0 0 "[ . 1 . 2]" 3
77 1 20 ALA MB 2 17 ILE MG 4.100 . 6.000 3.922 3.683 4.124 . 0 0 "[ . 1 . 2]" 3
78 1 24 ARG HB3 2 17 ILE MG 4.900 . 6.000 4.447 3.790 5.445 . 0 0 "[ . 1 . 2]" 3
79 1 20 ALA MB 2 20 VAL HB 4.100 . 6.000 3.706 2.814 4.931 . 0 0 "[ . 1 . 2]" 3
80 1 21 ALA HA 2 20 VAL HB 5.400 . 6.000 4.228 3.678 4.958 . 0 0 "[ . 1 . 2]" 3
81 1 21 ALA MB 2 20 VAL HB 4.900 . 6.000 5.051 4.209 5.776 . 0 0 "[ . 1 . 2]" 3
82 1 17 LEU HA 2 20 VAL QG 4.500 . 6.000 3.761 3.319 4.069 . 0 0 "[ . 1 . 2]" 3
83 1 24 ARG HB2 2 20 VAL QG 3.700 . 5.400 2.804 1.902 4.043 0.098 12 0 "[ . 1 . 2]" 3
84 1 24 ARG HB3 2 20 VAL QG 5.000 . 6.000 2.607 1.962 3.505 . 0 0 "[ . 1 . 2]" 3
85 1 21 ALA HA 2 38 LEU QD 3.900 . 5.800 3.958 3.544 4.798 . 0 0 "[ . 1 . 2]" 3
86 1 22 MET HB2 2 38 LEU QD 4.000 . 6.000 3.898 2.341 4.752 . 0 0 "[ . 1 . 2]" 3
87 1 29 PHE QE 2 38 LEU QD 3.600 . 5.200 2.764 1.951 4.202 0.049 13 0 "[ . 1 . 2]" 3
88 1 29 PHE HZ 2 38 LEU QD 3.900 . 5.800 2.702 1.848 5.166 0.152 6 0 "[ . 1 . 2]" 3
89 1 28 GLN QB 2 38 LEU QD 3.700 . 5.500 4.285 2.410 5.363 . 0 0 "[ . 1 . 2]" 3
90 1 14 PHE QD 2 41 LEU QD 4.600 . 6.000 3.539 2.198 4.396 . 0 0 "[ . 1 . 2]" 3
91 1 14 PHE QE 2 41 LEU QD 3.500 . 5.000 2.500 1.965 4.002 0.035 4 0 "[ . 1 . 2]" 3
92 1 18 ILE HG12 2 41 LEU QD 2.900 . 4.000 1.987 1.306 3.018 0.594 10 1 "[ . + . 2]" 3
93 1 17 LEU QD 2 41 LEU QD 3.200 . 4.500 2.241 1.965 2.654 . 0 0 "[ . 1 . 2]" 3
94 1 17 LEU HG 2 41 LEU QD 3.600 . 5.200 2.259 1.982 2.539 0.018 14 0 "[ . 1 . 2]" 3
95 1 29 PHE QE 2 41 LEU QD 4.100 . 6.000 4.783 3.156 5.656 . 0 0 "[ . 1 . 2]" 3
96 1 14 PHE HZ 2 67 VAL MG1 3.500 . 5.000 2.418 1.937 5.121 0.121 6 0 "[ . 1 . 2]" 3
97 1 14 PHE HA 2 88 PHE HB3 4.700 . 6.000 4.057 2.419 5.962 . 0 0 "[ . 1 . 2]" 3
98 1 17 LEU QD 2 88 PHE HB3 4.400 . 6.000 3.483 2.150 4.474 . 0 0 "[ . 1 . 2]" 3
99 1 14 PHE HA 2 89 LEU QD 4.700 . 6.000 4.319 3.195 5.309 . 0 0 "[ . 1 . 2]" 3
100 1 14 PHE HB3 2 89 LEU QD 5.800 . 6.000 4.612 3.087 5.946 . 0 0 "[ . 1 . 2]" 3
101 1 14 PHE HB2 2 89 LEU QD 4.500 . 6.000 3.728 1.822 5.626 0.078 11 0 "[ . 1 . 2]" 3
102 1 14 PHE QD 2 89 LEU QD 3.600 . 5.200 2.832 1.847 3.972 0.153 10 0 "[ . 1 . 2]" 3
103 1 14 PHE QE 2 89 LEU QD 3.500 . 5.100 2.914 2.055 4.894 . 0 0 "[ . 1 . 2]" 3
104 1 18 ILE MD 2 45 GLN HG3 4.400 . 6.000 3.761 2.771 5.156 . 0 0 "[ . 1 . 2]" 3
105 1 18 ILE MD 2 45 GLN HG2 4.900 . 6.000 4.371 1.872 5.633 0.028 13 0 "[ . 1 . 2]" 3
106 1 18 ILE MG 2 45 GLN HG2 3.900 . 5.800 4.178 2.511 5.436 . 0 0 "[ . 1 . 2]" 3
107 1 18 ILE MG 2 45 GLN HB3 5.200 . 6.000 4.451 2.554 5.360 . 0 0 "[ . 1 . 2]" 3
108 1 10 LEU QD 2 9 GLN HB2 3.300 . 4.600 2.978 1.426 4.338 0.574 7 1 "[ . + 1 . 2]" 3
109 1 10 LEU QD 2 9 GLN HB3 3.500 . 5.100 3.506 2.171 4.438 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 92
_Distance_constraint_stats_list.Viol_count 338
_Distance_constraint_stats_list.Viol_total 203.224
_Distance_constraint_stats_list.Viol_max 0.108
_Distance_constraint_stats_list.Viol_rms 0.0154
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0301
_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 14 PHE 0.159 0.046 10 0 "[ . 1 . 2]"
1 15 GLU 0.477 0.093 13 0 "[ . 1 . 2]"
1 16 LEU 0.154 0.055 20 0 "[ . 1 . 2]"
1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ILE 0.390 0.069 17 0 "[ . 1 . 2]"
1 19 ALA 0.597 0.093 13 0 "[ . 1 . 2]"
1 20 ALA 0.154 0.055 20 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 MET 0.231 0.069 17 0 "[ . 1 . 2]"
1 23 GLU 0.120 0.036 5 0 "[ . 1 . 2]"
2 11 VAL 0.108 0.046 16 0 "[ . 1 . 2]"
2 12 GLU 0.093 0.059 19 0 "[ . 1 . 2]"
2 13 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 ASN 0.189 0.078 17 0 "[ . 1 . 2]"
2 15 HIS 0.229 0.049 11 0 "[ . 1 . 2]"
2 16 ALA 0.100 0.059 19 0 "[ . 1 . 2]"
2 17 ILE 0.534 0.068 10 0 "[ . 1 . 2]"
2 18 ASN 0.347 0.078 17 0 "[ . 1 . 2]"
2 19 TYR 0.135 0.049 11 0 "[ . 1 . 2]"
2 20 VAL 0.937 0.099 7 0 "[ . 1 . 2]"
2 21 ASN 0.562 0.068 10 0 "[ . 1 . 2]"
2 22 LYS 0.158 0.075 7 0 "[ . 1 . 2]"
2 23 ILE 0.014 0.007 10 0 "[ . 1 . 2]"
2 24 LYS 0.930 0.099 7 0 "[ . 1 . 2]"
2 25 ASN 0.028 0.012 5 0 "[ . 1 . 2]"
2 32 ASP 0.022 0.022 15 0 "[ . 1 . 2]"
2 33 ILE 0.608 0.064 2 0 "[ . 1 . 2]"
2 34 TYR 0.086 0.042 8 0 "[ . 1 . 2]"
2 35 LYS 0.061 0.021 16 0 "[ . 1 . 2]"
2 36 ALA 0.253 0.069 2 0 "[ . 1 . 2]"
2 37 PHE 1.007 0.069 19 0 "[ . 1 . 2]"
2 38 LEU 0.192 0.042 8 0 "[ . 1 . 2]"
2 39 GLU 0.107 0.022 3 0 "[ . 1 . 2]"
2 40 ILE 0.316 0.069 2 0 "[ . 1 . 2]"
2 41 LEU 0.481 0.069 19 0 "[ . 1 . 2]"
2 42 HIS 0.650 0.088 14 0 "[ . 1 . 2]"
2 43 THR 0.189 0.052 9 0 "[ . 1 . 2]"
2 44 TYR 0.169 0.042 6 0 "[ . 1 . 2]"
2 45 GLN 0.090 0.049 13 0 "[ . 1 . 2]"
2 46 LYS 0.630 0.088 14 0 "[ . 1 . 2]"
2 47 GLU 0.229 0.052 9 0 "[ . 1 . 2]"
2 48 GLN 0.789 0.084 4 0 "[ . 1 . 2]"
2 49 ARG 0.432 0.091 4 0 "[ . 1 . 2]"
2 50 ASN 0.086 0.037 6 0 "[ . 1 . 2]"
2 51 ALA 0.085 0.043 7 0 "[ . 1 . 2]"
2 52 LYS 0.706 0.084 4 0 "[ . 1 . 2]"
2 53 GLU 0.424 0.091 4 0 "[ . 1 . 2]"
2 64 GLU 0.122 0.065 15 0 "[ . 1 . 2]"
2 65 GLN 0.085 0.044 14 0 "[ . 1 . 2]"
2 66 GLU 0.058 0.023 12 0 "[ . 1 . 2]"
2 67 VAL 0.072 0.052 2 0 "[ . 1 . 2]"
2 68 TYR 0.345 0.065 15 0 "[ . 1 . 2]"
2 69 ALA 0.967 0.078 2 0 "[ . 1 . 2]"
2 70 GLN 0.173 0.037 14 0 "[ . 1 . 2]"
2 71 VAL 0.072 0.052 2 0 "[ . 1 . 2]"
2 72 ALA 0.223 0.053 18 0 "[ . 1 . 2]"
2 73 ARG 0.882 0.078 2 0 "[ . 1 . 2]"
2 74 LEU 0.115 0.037 14 0 "[ . 1 . 2]"
2 79 GLU 0.077 0.059 5 0 "[ . 1 . 2]"
2 80 ASP 0.794 0.108 17 0 "[ . 1 . 2]"
2 81 LEU 0.356 0.069 10 0 "[ . 1 . 2]"
2 82 LEU 0.249 0.091 2 0 "[ . 1 . 2]"
2 83 SER 0.077 0.059 5 0 "[ . 1 . 2]"
2 84 GLU 0.794 0.108 17 0 "[ . 1 . 2]"
2 85 PHE 0.356 0.069 10 0 "[ . 1 . 2]"
2 86 GLY 0.249 0.091 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 11 VAL O 2 15 HIS H 1.900 . 2.100 1.914 1.745 2.146 0.046 16 0 "[ . 1 . 2]" 4
2 2 11 VAL O 2 15 HIS N 2.900 2.700 3.100 2.833 2.658 3.066 0.042 10 0 "[ . 1 . 2]" 4
3 2 12 GLU O 2 16 ALA H 1.900 . 2.100 2.019 1.872 2.159 0.059 19 0 "[ . 1 . 2]" 4
4 2 12 GLU O 2 16 ALA N 2.900 2.700 3.100 2.889 2.746 3.086 . 0 0 "[ . 1 . 2]" 4
5 2 13 PHE O 2 17 ILE H 1.900 . 2.100 1.960 1.857 2.069 . 0 0 "[ . 1 . 2]" 4
6 2 13 PHE O 2 17 ILE N 2.900 2.700 3.100 2.891 2.813 3.001 . 0 0 "[ . 1 . 2]" 4
7 2 14 ASN O 2 18 ASN H 1.900 . 2.100 1.981 1.739 2.178 0.078 17 0 "[ . 1 . 2]" 4
8 2 14 ASN O 2 18 ASN N 2.900 2.700 3.100 2.943 2.692 3.142 0.042 17 0 "[ . 1 . 2]" 4
9 2 15 HIS O 2 19 TYR H 1.900 . 2.100 2.016 1.830 2.149 0.049 11 0 "[ . 1 . 2]" 4
10 2 15 HIS O 2 19 TYR N 2.900 2.700 3.100 2.836 2.699 3.011 0.001 10 0 "[ . 1 . 2]" 4
11 2 16 ALA O 2 20 VAL H 1.900 . 2.100 1.866 1.731 2.011 . 0 0 "[ . 1 . 2]" 4
12 2 16 ALA O 2 20 VAL N 2.900 2.700 3.100 2.827 2.693 2.971 0.007 11 0 "[ . 1 . 2]" 4
13 2 17 ILE O 2 21 ASN H 1.900 . 2.100 2.108 2.009 2.168 0.068 10 0 "[ . 1 . 2]" 4
14 2 17 ILE O 2 21 ASN N 2.900 2.700 3.100 3.060 2.943 3.131 0.031 10 0 "[ . 1 . 2]" 4
15 2 18 ASN O 2 22 LYS H 1.900 . 2.100 1.943 1.654 2.117 0.046 7 0 "[ . 1 . 2]" 4
16 2 18 ASN O 2 22 LYS N 2.900 2.700 3.100 2.775 2.625 2.929 0.075 7 0 "[ . 1 . 2]" 4
17 2 19 TYR O 2 23 ILE H 1.900 . 2.100 1.891 1.791 1.993 . 0 0 "[ . 1 . 2]" 4
18 2 19 TYR O 2 23 ILE N 2.900 2.700 3.100 2.806 2.693 2.938 0.007 10 0 "[ . 1 . 2]" 4
19 2 20 VAL O 2 24 LYS H 1.900 . 2.100 2.121 1.984 2.199 0.099 7 0 "[ . 1 . 2]" 4
20 2 20 VAL O 2 24 LYS N 2.900 2.700 3.100 3.076 2.942 3.147 0.047 7 0 "[ . 1 . 2]" 4
21 2 21 ASN O 2 25 ASN H 1.900 . 2.100 1.962 1.763 2.112 0.012 5 0 "[ . 1 . 2]" 4
22 2 21 ASN O 2 25 ASN N 2.900 2.700 3.100 2.860 2.707 3.049 . 0 0 "[ . 1 . 2]" 4
23 2 32 ASP O 2 36 ALA H 1.900 . 2.100 1.946 1.827 2.122 0.022 15 0 "[ . 1 . 2]" 4
24 2 32 ASP O 2 36 ALA N 2.900 2.700 3.100 2.852 2.735 3.026 . 0 0 "[ . 1 . 2]" 4
25 2 33 ILE O 2 37 PHE H 1.900 . 2.100 2.116 1.941 2.164 0.064 2 0 "[ . 1 . 2]" 4
26 2 33 ILE O 2 37 PHE N 2.900 2.700 3.100 3.067 2.893 3.131 0.031 2 0 "[ . 1 . 2]" 4
27 2 34 TYR O 2 38 LEU H 1.900 . 2.100 1.878 1.736 2.077 . 0 0 "[ . 1 . 2]" 4
28 2 34 TYR O 2 38 LEU N 2.900 2.700 3.100 2.787 2.658 2.936 0.042 8 0 "[ . 1 . 2]" 4
29 2 35 LYS O 2 39 GLU H 1.900 . 2.100 1.939 1.775 2.121 0.021 16 0 "[ . 1 . 2]" 4
30 2 35 LYS O 2 39 GLU N 2.900 2.700 3.100 2.825 2.688 3.039 0.012 13 0 "[ . 1 . 2]" 4
31 2 36 ALA O 2 40 ILE H 1.900 . 2.100 2.032 1.810 2.169 0.069 2 0 "[ . 1 . 2]" 4
32 2 36 ALA O 2 40 ILE N 2.900 2.700 3.100 2.946 2.731 3.092 . 0 0 "[ . 1 . 2]" 4
33 2 37 PHE O 2 41 LEU H 1.900 . 2.100 2.049 1.838 2.169 0.069 19 0 "[ . 1 . 2]" 4
34 2 37 PHE O 2 41 LEU N 2.900 2.700 3.100 3.001 2.784 3.120 0.020 20 0 "[ . 1 . 2]" 4
35 2 38 LEU O 2 42 HIS H 1.900 . 2.100 1.912 1.738 2.121 0.021 19 0 "[ . 1 . 2]" 4
36 2 38 LEU O 2 42 HIS N 2.900 2.700 3.100 2.827 2.674 3.050 0.026 14 0 "[ . 1 . 2]" 4
37 2 39 GLU O 2 43 THR H 1.900 . 2.100 1.885 1.776 2.096 . 0 0 "[ . 1 . 2]" 4
38 2 39 GLU O 2 43 THR N 2.900 2.700 3.100 2.793 2.678 2.987 0.022 3 0 "[ . 1 . 2]" 4
39 2 40 ILE O 2 44 TYR H 1.900 . 2.100 1.977 1.821 2.137 0.037 3 0 "[ . 1 . 2]" 4
40 2 40 ILE O 2 44 TYR N 2.900 2.700 3.100 2.932 2.783 3.111 0.011 5 0 "[ . 1 . 2]" 4
41 2 41 LEU O 2 45 GLN H 1.900 . 2.100 1.884 1.776 2.149 0.049 13 0 "[ . 1 . 2]" 4
42 2 41 LEU O 2 45 GLN N 2.900 2.700 3.100 2.827 2.684 3.111 0.016 11 0 "[ . 1 . 2]" 4
43 2 42 HIS O 2 46 LYS H 1.900 . 2.100 2.106 1.894 2.188 0.088 14 0 "[ . 1 . 2]" 4
44 2 42 HIS O 2 46 LYS N 2.900 2.700 3.100 2.983 2.770 3.075 . 0 0 "[ . 1 . 2]" 4
45 2 43 THR O 2 47 GLU H 1.900 . 2.100 1.996 1.797 2.152 0.052 9 0 "[ . 1 . 2]" 4
46 2 43 THR O 2 47 GLU N 2.900 2.700 3.100 2.948 2.765 3.111 0.011 9 0 "[ . 1 . 2]" 4
47 2 44 TYR O 2 48 GLN H 1.900 . 2.100 1.802 1.710 1.901 . 0 0 "[ . 1 . 2]" 4
48 2 44 TYR O 2 48 GLN N 2.900 2.700 3.100 2.748 2.658 2.827 0.042 6 0 "[ . 1 . 2]" 4
49 2 45 GLN O 2 49 ARG H 1.900 . 2.100 1.982 1.789 2.108 0.008 7 0 "[ . 1 . 2]" 4
50 2 45 GLN O 2 49 ARG N 2.900 2.700 3.100 2.912 2.724 3.069 . 0 0 "[ . 1 . 2]" 4
51 2 46 LYS O 2 50 ASN H 1.900 . 2.100 1.958 1.732 2.137 0.037 6 0 "[ . 1 . 2]" 4
52 2 46 LYS O 2 50 ASN N 2.900 2.700 3.100 2.896 2.691 3.075 0.009 19 0 "[ . 1 . 2]" 4
53 2 47 GLU O 2 51 ALA H 1.900 . 2.100 1.956 1.815 2.143 0.043 7 0 "[ . 1 . 2]" 4
54 2 47 GLU O 2 51 ALA N 2.900 2.700 3.100 2.837 2.689 3.060 0.011 15 0 "[ . 1 . 2]" 4
55 2 48 GLN O 2 52 LYS H 1.900 . 2.100 2.080 1.795 2.184 0.084 4 0 "[ . 1 . 2]" 4
56 2 48 GLN O 2 52 LYS N 2.900 2.700 3.100 3.029 2.705 3.135 0.035 16 0 "[ . 1 . 2]" 4
57 2 49 ARG O 2 53 GLU H 1.900 . 2.100 1.862 1.678 2.143 0.043 1 0 "[ . 1 . 2]" 4
58 2 49 ARG O 2 53 GLU N 2.900 2.700 3.100 2.750 2.609 2.924 0.091 4 0 "[ . 1 . 2]" 4
59 2 64 GLU O 2 68 TYR H 1.900 . 2.100 1.982 1.805 2.165 0.065 15 0 "[ . 1 . 2]" 4
60 2 64 GLU O 2 68 TYR N 2.900 2.700 3.100 2.930 2.763 3.140 0.040 15 0 "[ . 1 . 2]" 4
61 2 65 GLN O 2 69 ALA H 1.900 . 2.100 1.999 1.771 2.144 0.044 14 0 "[ . 1 . 2]" 4
62 2 65 GLN O 2 69 ALA N 2.900 2.700 3.100 2.921 2.706 3.074 . 0 0 "[ . 1 . 2]" 4
63 2 66 GLU O 2 70 GLN H 1.900 . 2.100 1.965 1.746 2.123 0.023 12 0 "[ . 1 . 2]" 4
64 2 66 GLU O 2 70 GLN N 2.900 2.700 3.100 2.920 2.717 3.085 . 0 0 "[ . 1 . 2]" 4
65 2 67 VAL O 2 71 VAL H 1.900 . 2.100 1.850 1.710 2.025 . 0 0 "[ . 1 . 2]" 4
66 2 67 VAL O 2 71 VAL N 2.900 2.700 3.100 2.787 2.648 2.970 0.052 2 0 "[ . 1 . 2]" 4
67 2 68 TYR O 2 72 ALA H 1.900 . 2.100 2.032 1.848 2.153 0.053 18 0 "[ . 1 . 2]" 4
68 2 68 TYR O 2 72 ALA N 2.900 2.700 3.100 2.913 2.723 3.061 . 0 0 "[ . 1 . 2]" 4
69 2 69 ALA O 2 73 ARG H 1.900 . 2.100 2.127 1.994 2.178 0.078 2 0 "[ . 1 . 2]" 4
70 2 69 ALA O 2 73 ARG N 2.900 2.700 3.100 3.025 2.874 3.120 0.020 13 0 "[ . 1 . 2]" 4
71 2 70 GLN O 2 74 LEU H 1.900 . 2.100 2.041 1.825 2.137 0.037 14 0 "[ . 1 . 2]" 4
72 2 70 GLN O 2 74 LEU N 2.900 2.700 3.100 2.855 2.745 2.937 . 0 0 "[ . 1 . 2]" 4
73 2 79 GLU O 2 83 SER H 1.900 . 2.100 1.875 1.723 2.091 . 0 0 "[ . 1 . 2]" 4
74 2 79 GLU O 2 83 SER N 2.900 2.700 3.100 2.768 2.641 2.958 0.059 5 0 "[ . 1 . 2]" 4
75 2 80 ASP O 2 84 GLU H 1.900 . 2.100 2.111 1.934 2.208 0.108 17 0 "[ . 1 . 2]" 4
76 2 80 ASP O 2 84 GLU N 2.900 2.700 3.100 3.027 2.849 3.176 0.076 17 0 "[ . 1 . 2]" 4
77 2 81 LEU O 2 85 PHE H 1.900 . 2.100 2.085 1.970 2.169 0.069 10 0 "[ . 1 . 2]" 4
78 2 81 LEU O 2 85 PHE N 2.900 2.700 3.100 2.982 2.862 3.106 0.006 20 0 "[ . 1 . 2]" 4
79 2 82 LEU O 2 86 GLY H 1.900 . 2.100 1.997 1.756 2.191 0.091 2 0 "[ . 1 . 2]" 4
80 2 82 LEU O 2 86 GLY N 2.900 2.700 3.100 2.849 2.706 3.057 . 0 0 "[ . 1 . 2]" 4
81 1 14 PHE O 1 18 ILE H 1.900 . 2.100 1.988 1.759 2.146 0.046 10 0 "[ . 1 . 2]" 4
82 1 14 PHE O 1 18 ILE N 2.900 2.700 3.100 2.924 2.730 3.072 . 0 0 "[ . 1 . 2]" 4
83 1 15 GLU O 1 19 ALA H 1.900 . 2.100 2.014 1.829 2.193 0.093 13 0 "[ . 1 . 2]" 4
84 1 15 GLU O 1 19 ALA N 2.900 2.700 3.100 2.964 2.769 3.147 0.047 14 0 "[ . 1 . 2]" 4
85 1 16 LEU O 1 20 ALA H 1.900 . 2.100 1.919 1.734 2.132 0.032 12 0 "[ . 1 . 2]" 4
86 1 16 LEU O 1 20 ALA N 2.900 2.700 3.100 2.811 2.645 3.001 0.055 20 0 "[ . 1 . 2]" 4
87 1 17 LEU O 1 21 ALA H 1.900 . 2.100 1.862 1.746 1.991 . 0 0 "[ . 1 . 2]" 4
88 1 17 LEU O 1 21 ALA N 2.900 2.700 3.100 2.813 2.724 2.963 . 0 0 "[ . 1 . 2]" 4
89 1 18 ILE O 1 22 MET H 1.900 . 2.100 2.018 1.872 2.169 0.069 17 0 "[ . 1 . 2]" 4
90 1 18 ILE O 1 22 MET N 2.900 2.700 3.100 2.954 2.794 3.121 0.021 3 0 "[ . 1 . 2]" 4
91 1 19 ALA O 1 23 GLU H 1.900 . 2.100 2.010 1.826 2.136 0.036 5 0 "[ . 1 . 2]" 4
92 1 19 ALA O 1 23 GLU N 2.900 2.700 3.100 2.870 2.687 3.015 0.013 20 0 "[ . 1 . 2]" 4
stop_
save_
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