NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
603485 |
2n3e   |
25643 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n3e
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 1053
_Distance_constraint_stats_list.Viol_count 1390
_Distance_constraint_stats_list.Viol_total 1705.237
_Distance_constraint_stats_list.Viol_max 0.996
_Distance_constraint_stats_list.Viol_rms 0.0378
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0613
_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 4 GLN 0.050 0.031 1 0 "[ . 1 . 2]"
1 5 ALA 0.279 0.049 10 0 "[ . 1 . 2]"
1 7 THR 3.894 0.575 9 3 "[* . +1- . 2]"
1 8 PRO 0.044 0.031 13 0 "[ . 1 . 2]"
1 9 TRP 2.277 0.112 19 0 "[ . 1 . 2]"
1 10 SER 2.042 0.368 20 0 "[ . 1 . 2]"
1 11 SER 7.057 0.601 3 6 "[- +*. 1 ** . * 2]"
1 12 LYS 12.387 0.601 3 6 "[- +*. 1 ** . * 2]"
1 13 ALA 0.516 0.060 3 0 "[ . 1 . 2]"
1 14 ASN 10.672 0.888 15 7 "[** . *1- + **2]"
1 15 ALA 4.166 0.415 18 0 "[ . 1 . 2]"
1 16 ASP 1.360 0.075 20 0 "[ . 1 . 2]"
1 17 ALA 0.253 0.036 11 0 "[ . 1 . 2]"
1 18 PHE 0.631 0.049 14 0 "[ . 1 . 2]"
1 19 ILE 1.946 0.614 5 1 "[ + 1 . 2]"
1 20 ASN 0.271 0.036 11 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 PHE 0.210 0.026 5 0 "[ . 1 . 2]"
1 23 ILE 0.586 0.068 17 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 1.862 0.297 5 0 "[ . 1 . 2]"
1 26 ALA 0.835 0.068 17 0 "[ . 1 . 2]"
1 27 SER 0.393 0.033 7 0 "[ . 1 . 2]"
1 28 ASN 0.327 0.033 7 0 "[ . 1 . 2]"
1 29 THR 1.554 0.080 17 0 "[ . 1 . 2]"
1 30 GLY 0.497 0.062 15 0 "[ . 1 . 2]"
1 31 SER 0.458 0.062 15 0 "[ . 1 . 2]"
1 32 PHE 3.277 0.080 17 0 "[ . 1 . 2]"
1 33 SER 0.088 0.045 5 0 "[ . 1 . 2]"
1 34 GLN 0.025 0.015 9 0 "[ . 1 . 2]"
1 35 ASP 0.033 0.015 9 0 "[ . 1 . 2]"
1 36 GLN 2.808 0.235 15 0 "[ . 1 . 2]"
1 37 MET 0.111 0.038 5 0 "[ . 1 . 2]"
1 38 GLU 1.215 0.132 1 0 "[ . 1 . 2]"
1 39 ASN 3.636 0.235 15 0 "[ . 1 . 2]"
1 40 MET 0.334 0.034 5 0 "[ . 1 . 2]"
1 41 SER 0.334 0.034 5 0 "[ . 1 . 2]"
1 42 LEU 0.803 0.059 1 0 "[ . 1 . 2]"
1 43 ILE 0.359 0.052 7 0 "[ . 1 . 2]"
1 44 GLY 1.663 0.614 5 1 "[ + 1 . 2]"
1 45 ASN 0.065 0.028 14 0 "[ . 1 . 2]"
1 46 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 MET 0.071 0.027 15 0 "[ . 1 . 2]"
1 49 ALA 0.065 0.028 14 0 "[ . 1 . 2]"
1 50 ALA 0.132 0.031 16 0 "[ . 1 . 2]"
1 51 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ASP 0.161 0.021 14 0 "[ . 1 . 2]"
1 53 ASN 0.306 0.052 20 0 "[ . 1 . 2]"
1 54 MET 1.039 0.279 6 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 0.169 0.088 9 0 "[ . 1 . 2]"
1 57 ARG 0.655 0.069 10 0 "[ . 1 . 2]"
1 58 ILE 1.105 0.088 9 0 "[ . 1 . 2]"
1 59 THR 0.035 0.020 16 0 "[ . 1 . 2]"
1 62 LYS 0.010 0.010 7 0 "[ . 1 . 2]"
1 63 LEU 1.316 0.368 20 0 "[ . 1 . 2]"
1 64 GLN 0.929 0.067 6 0 "[ . 1 . 2]"
1 65 ALA 0.018 0.008 14 0 "[ . 1 . 2]"
1 66 LEU 0.016 0.016 4 0 "[ . 1 . 2]"
1 67 ASP 0.494 0.045 18 0 "[ . 1 . 2]"
1 68 MET 0.100 0.029 3 0 "[ . 1 . 2]"
1 69 ALA 2.221 0.840 7 3 "[ * - + 1 . 2]"
1 70 PHE 3.444 0.886 8 3 "[ - . + 1 . *2]"
1 71 ALA 0.044 0.024 14 0 "[ . 1 . 2]"
1 72 SER 0.055 0.023 7 0 "[ . 1 . 2]"
1 73 SER 7.043 0.886 8 6 "[ -* * *+ 1 . *2]"
1 74 VAL 11.542 0.915 1 8 "[+- *.* ** .* *]"
1 75 ALA 0.442 0.079 14 0 "[ . 1 . 2]"
1 76 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ILE 2.192 0.068 8 0 "[ . 1 . 2]"
1 78 ALA 4.050 0.345 7 0 "[ . 1 . 2]"
1 79 ALA 0.077 0.019 6 0 "[ . 1 . 2]"
1 80 SER 0.442 0.177 4 0 "[ . 1 . 2]"
1 81 GLN 1.060 0.177 4 0 "[ . 1 . 2]"
1 82 GLY 0.715 0.099 1 0 "[ . 1 . 2]"
1 83 GLY 0.807 0.376 4 0 "[ . 1 . 2]"
1 84 ASP 0.684 0.376 4 0 "[ . 1 . 2]"
1 85 LEU 0.037 0.015 20 0 "[ . 1 . 2]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 0.411 0.044 5 0 "[ . 1 . 2]"
1 88 THR 2.446 0.076 1 0 "[ . 1 . 2]"
1 89 THR 1.211 0.068 19 0 "[ . 1 . 2]"
1 90 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ALA 0.119 0.040 20 0 "[ . 1 . 2]"
1 92 ILE 7.028 0.915 1 8 "[+- *.* ** .* *]"
1 93 ALA 0.764 0.057 13 0 "[ . 1 . 2]"
1 94 ASP 2.403 0.297 5 0 "[ . 1 . 2]"
1 95 ALA 0.442 0.097 13 0 "[ . 1 . 2]"
1 96 LEU 0.218 0.033 20 0 "[ . 1 . 2]"
1 97 THR 0.474 0.038 12 0 "[ . 1 . 2]"
1 98 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ALA 0.745 0.043 5 0 "[ . 1 . 2]"
1 100 PHE 2.317 0.061 13 0 "[ . 1 . 2]"
1 101 TYR 0.620 0.043 5 0 "[ . 1 . 2]"
1 102 GLN 0.002 0.002 19 0 "[ . 1 . 2]"
1 103 THR 5.307 0.888 15 6 "[-* . *1 + **2]"
1 104 THR 0.414 0.035 18 0 "[ . 1 . 2]"
1 105 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 VAL 1.133 0.081 14 0 "[ . 1 . 2]"
1 107 VAL 1.713 0.081 14 0 "[ . 1 . 2]"
1 108 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 SER 0.470 0.055 4 0 "[ . 1 . 2]"
1 110 ARG 0.031 0.011 13 0 "[ . 1 . 2]"
1 111 PHE 0.314 0.033 20 0 "[ . 1 . 2]"
1 112 ILE 0.887 0.038 10 0 "[ . 1 . 2]"
1 113 SER 5.773 0.799 10 9 "[ * *. * +-* . ***]"
1 114 GLU 0.771 0.290 11 0 "[ . 1 . 2]"
1 115 ILE 0.107 0.016 14 0 "[ . 1 . 2]"
1 116 ARG 12.491 0.996 10 9 "[ * *. * +-* . ***]"
1 117 SER 0.060 0.026 18 0 "[ . 1 . 2]"
1 118 LEU 0.774 0.290 11 0 "[ . 1 . 2]"
1 119 ILE 7.020 0.996 10 7 "[ - *. * + * . **2]"
1 120 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 MET 0.014 0.005 6 0 "[ . 1 . 2]"
1 122 PHE 0.043 0.015 11 0 "[ . 1 . 2]"
1 123 ALA 0.372 0.035 7 0 "[ . 1 . 2]"
1 124 GLN 0.372 0.035 7 0 "[ . 1 . 2]"
1 125 ALA 0.012 0.005 6 0 "[ . 1 . 2]"
1 126 SER 0.672 0.241 2 0 "[ . 1 . 2]"
1 127 ALA 0.143 0.143 17 0 "[ . 1 . 2]"
1 128 ASN 0.721 0.241 2 0 "[ . 1 . 2]"
1 129 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 VAL 0.380 0.093 17 0 "[ . 1 . 2]"
1 131 TYR 0.504 0.143 17 0 "[ . 1 . 2]"
1 132 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 SER 0.031 0.031 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 GLN HB3 1 5 ALA MB 0.000 . 5.500 4.307 3.520 5.479 . 0 0 "[ . 1 . 2]" 1
2 1 4 GLN HB2 1 5 ALA MB 0.000 . 5.500 4.597 3.426 5.531 0.031 1 0 "[ . 1 . 2]" 1
3 1 5 ALA MB 1 11 SER HA 0.000 . 5.500 3.997 3.454 4.314 . 0 0 "[ . 1 . 2]" 1
4 1 5 ALA MB 1 12 LYS H 0.000 . 5.500 5.435 5.073 5.549 0.049 10 0 "[ . 1 . 2]" 1
5 1 7 THR HA 1 104 THR HB 0.000 . 5.500 3.334 2.664 3.854 . 0 0 "[ . 1 . 2]" 1
6 1 7 THR HB 1 9 TRP HH2 0.000 . 5.500 4.548 3.494 5.386 . 0 0 "[ . 1 . 2]" 1
7 1 7 THR HB 1 9 TRP HZ3 0.000 . 5.500 5.186 4.332 5.538 0.038 12 0 "[ . 1 . 2]" 1
8 1 7 THR MG 1 9 TRP HE3 0.000 . 4.500 4.029 3.332 4.578 0.078 2 0 "[ . 1 . 2]" 1
9 1 7 THR MG 1 9 TRP HH2 0.000 . 4.500 3.828 2.779 4.572 0.072 16 0 "[ . 1 . 2]" 1
10 1 7 THR MG 1 9 TRP H 0.000 . 4.500 2.953 1.869 3.447 . 0 0 "[ . 1 . 2]" 1
11 1 7 THR MG 1 10 SER H 0.000 . 3.500 2.789 1.883 3.583 0.083 7 0 "[ . 1 . 2]" 1
12 1 7 THR H 1 14 ASN HB2 0.000 . 5.500 5.543 4.933 6.075 0.575 9 3 "[* . +1- . 2]" 1
13 1 5 ALA MB 1 8 PRO HA 0.000 . 5.500 4.164 3.630 5.243 . 0 0 "[ . 1 . 2]" 1
14 1 8 PRO HA 1 10 SER H 0.000 . 4.500 3.914 3.510 4.531 0.031 13 0 "[ . 1 . 2]" 1
15 1 8 PRO HB2 1 9 TRP HA 0.000 . 5.500 4.141 4.055 4.214 . 0 0 "[ . 1 . 2]" 1
16 1 8 PRO HB2 1 9 TRP HE3 0.000 . 5.500 3.808 3.547 4.389 . 0 0 "[ . 1 . 2]" 1
17 1 8 PRO HB2 1 10 SER H 0.000 . 5.500 4.979 4.776 5.285 . 0 0 "[ . 1 . 2]" 1
18 1 8 PRO HA 1 9 TRP HA 0.000 . 5.500 4.650 4.616 4.672 . 0 0 "[ . 1 . 2]" 1
19 1 9 TRP HA 1 10 SER H 0.000 . 5.500 3.304 3.038 3.514 . 0 0 "[ . 1 . 2]" 1
20 1 9 TRP HA 1 67 ASP QB 0.000 . 5.500 4.131 3.669 4.234 . 0 0 "[ . 1 . 2]" 1
21 1 9 TRP HD1 1 10 SER H 0.000 . 5.500 3.904 2.975 4.578 . 0 0 "[ . 1 . 2]" 1
22 1 7 THR HB 1 9 TRP H 0.000 . 5.500 3.903 2.717 4.737 . 0 0 "[ . 1 . 2]" 1
23 1 9 TRP HD1 1 10 SER HA 0.000 . 5.000 3.324 2.800 3.773 . 0 0 "[ . 1 . 2]" 1
24 1 9 TRP HD1 1 67 ASP HA 0.000 . 5.500 5.511 5.291 5.545 0.045 18 0 "[ . 1 . 2]" 1
25 1 9 TRP HD1 1 67 ASP QB 0.000 . 4.500 2.938 2.714 3.108 . 0 0 "[ . 1 . 2]" 1
26 1 9 TRP HE3 1 67 ASP QB 0.000 . 5.000 4.302 2.983 4.804 . 0 0 "[ . 1 . 2]" 1
27 1 9 TRP HH2 1 107 VAL MG2 0.000 . 5.000 4.974 4.890 5.014 0.014 19 0 "[ . 1 . 2]" 1
28 1 9 TRP HH2 1 110 ARG QB 0.000 . 5.000 4.397 3.302 4.900 . 0 0 "[ . 1 . 2]" 1
29 1 10 SER QB 1 11 SER H 0.000 . 4.500 3.172 2.737 3.751 . 0 0 "[ . 1 . 2]" 1
30 1 5 ALA MB 1 10 SER HB2 0.000 . 5.500 2.976 2.140 4.331 . 0 0 "[ . 1 . 2]" 1
31 1 7 THR H 1 10 SER HB2 0.000 . 5.500 3.120 2.429 4.702 . 0 0 "[ . 1 . 2]" 1
32 1 10 SER HB2 1 11 SER HA 0.000 . 5.500 5.104 4.661 5.791 0.291 5 0 "[ . 1 . 2]" 1
33 1 10 SER HB2 1 63 LEU QD 0.000 . 4.500 4.444 3.482 4.868 0.368 20 0 "[ . 1 . 2]" 1
34 1 11 SER HA 1 13 ALA H 0.000 . 5.500 4.284 4.028 4.446 . 0 0 "[ . 1 . 2]" 1
35 1 10 SER H 1 11 SER H 0.000 . 3.500 2.374 1.986 2.769 . 0 0 "[ . 1 . 2]" 1
36 1 11 SER H 1 12 LYS H 0.000 . 5.500 4.456 4.176 4.574 . 0 0 "[ . 1 . 2]" 1
37 1 11 SER H 1 13 ALA H 0.000 . 5.500 5.504 5.401 5.533 0.033 6 0 "[ . 1 . 2]" 1
38 1 11 SER H 1 14 ASN H 0.000 . 5.500 4.399 4.071 4.669 . 0 0 "[ . 1 . 2]" 1
39 1 11 SER H 1 15 ALA H 0.000 . 5.500 3.806 3.422 3.989 . 0 0 "[ . 1 . 2]" 1
40 1 11 SER H 1 58 ILE MG 0.000 . 5.500 5.017 4.364 5.526 0.026 8 0 "[ . 1 . 2]" 1
41 1 11 SER HB2 1 12 LYS HA 0.000 . 5.500 5.538 4.985 6.101 0.601 3 6 "[- +*. 1 ** . * 2]" 1
42 1 12 LYS HA 1 14 ASN H 0.000 . 5.500 4.594 4.304 4.762 . 0 0 "[ . 1 . 2]" 1
43 1 12 LYS HA 1 15 ALA H 0.000 . 4.500 3.535 3.340 3.820 . 0 0 "[ . 1 . 2]" 1
44 1 12 LYS HA 1 16 ASP H 0.000 . 4.500 3.997 3.037 4.514 0.014 17 0 "[ . 1 . 2]" 1
45 1 11 SER HA 1 12 LYS HB3 0.000 . 5.500 5.340 4.404 5.816 0.316 11 0 "[ . 1 . 2]" 1
46 1 12 LYS HB3 1 14 ASN H 0.000 . 5.500 5.295 4.845 5.992 0.492 12 0 "[ . 1 . 2]" 1
47 1 12 LYS HB2 1 15 ALA H 0.000 . 5.500 5.610 5.283 5.915 0.415 18 0 "[ . 1 . 2]" 1
48 1 12 LYS HD3 1 54 MET HG3 0.000 . 5.500 4.609 3.760 5.104 . 0 0 "[ . 1 . 2]" 1
49 1 12 LYS HD2 1 52 ASP HA 0.000 . 5.500 4.622 3.512 5.490 . 0 0 "[ . 1 . 2]" 1
50 1 12 LYS HD2 1 54 MET HG2 0.000 . 5.500 5.041 2.858 5.779 0.279 6 0 "[ . 1 . 2]" 1
51 1 12 LYS HA 1 13 ALA H 0.000 . 5.000 3.554 3.538 3.567 . 0 0 "[ . 1 . 2]" 1
52 1 12 LYS QE 1 13 ALA HA 0.000 . 5.000 4.542 3.978 5.060 0.060 3 0 "[ . 1 . 2]" 1
53 1 13 ALA HA 1 14 ASN H 0.000 . 5.500 3.553 3.517 3.580 . 0 0 "[ . 1 . 2]" 1
54 1 13 ALA HA 1 16 ASP H 0.000 . 4.500 3.749 3.474 4.008 . 0 0 "[ . 1 . 2]" 1
55 1 13 ALA MB 1 14 ASN H 0.000 . 4.500 2.574 2.293 2.767 . 0 0 "[ . 1 . 2]" 1
56 1 13 ALA MB 1 16 ASP H 0.000 . 5.500 4.839 4.653 4.987 . 0 0 "[ . 1 . 2]" 1
57 1 13 ALA H 1 14 ASN H 0.000 . 4.500 2.613 2.329 2.870 . 0 0 "[ . 1 . 2]" 1
58 1 13 ALA MB 1 14 ASN HA 0.000 . 5.500 3.788 3.709 3.877 . 0 0 "[ . 1 . 2]" 1
59 1 13 ALA H 1 14 ASN HA 0.000 . 5.500 5.277 5.051 5.475 . 0 0 "[ . 1 . 2]" 1
60 1 14 ASN HA 1 15 ALA H 0.000 . 4.500 3.519 3.502 3.560 . 0 0 "[ . 1 . 2]" 1
61 1 14 ASN HA 1 17 ALA H 0.000 . 4.500 3.812 3.460 3.991 . 0 0 "[ . 1 . 2]" 1
62 1 14 ASN HB3 1 15 ALA H 0.000 . 5.500 3.529 2.638 4.054 . 0 0 "[ . 1 . 2]" 1
63 1 14 ASN HB3 1 104 THR MG 0.000 . 5.500 3.987 2.278 5.339 . 0 0 "[ . 1 . 2]" 1
64 1 11 SER H 1 14 ASN HB2 0.000 . 4.500 3.475 2.811 4.617 0.117 19 0 "[ . 1 . 2]" 1
65 1 13 ALA H 1 14 ASN HB2 0.000 . 5.500 4.827 4.349 5.225 . 0 0 "[ . 1 . 2]" 1
66 1 14 ASN HB2 1 104 THR MG 0.000 . 5.500 4.646 3.141 5.535 0.035 18 0 "[ . 1 . 2]" 1
67 1 15 ALA HA 1 16 ASP H 0.000 . 3.500 3.557 3.513 3.575 0.075 20 0 "[ . 1 . 2]" 1
68 1 11 SER H 1 15 ALA MB 0.000 . 5.500 3.516 3.059 3.993 . 0 0 "[ . 1 . 2]" 1
69 1 12 LYS HA 1 15 ALA MB 0.000 . 4.500 2.551 2.078 3.087 . 0 0 "[ . 1 . 2]" 1
70 1 13 ALA H 1 15 ALA MB 0.000 . 5.500 4.636 4.319 4.946 . 0 0 "[ . 1 . 2]" 1
71 1 14 ASN H 1 15 ALA MB 0.000 . 5.500 4.217 4.128 4.288 . 0 0 "[ . 1 . 2]" 1
72 1 15 ALA MB 1 16 ASP H 0.000 . 3.500 2.488 2.215 2.900 . 0 0 "[ . 1 . 2]" 1
73 1 15 ALA MB 1 18 PHE QD 0.000 . 5.500 4.832 3.725 5.288 . 0 0 "[ . 1 . 2]" 1
74 1 15 ALA MB 1 18 PHE H 0.000 . 5.500 4.554 4.223 4.767 . 0 0 "[ . 1 . 2]" 1
75 1 13 ALA H 1 15 ALA H 0.000 . 5.500 3.898 3.749 4.098 . 0 0 "[ . 1 . 2]" 1
76 1 14 ASN H 1 15 ALA H 0.000 . 4.500 2.537 2.501 2.602 . 0 0 "[ . 1 . 2]" 1
77 1 16 ASP HA 1 17 ALA H 0.000 . 4.500 3.589 3.561 3.602 . 0 0 "[ . 1 . 2]" 1
78 1 16 ASP HA 1 19 ILE HB 0.000 . 5.500 2.961 2.704 3.146 . 0 0 "[ . 1 . 2]" 1
79 1 16 ASP HA 1 19 ILE H 0.000 . 5.500 3.393 3.278 3.442 . 0 0 "[ . 1 . 2]" 1
80 1 14 ASN H 1 16 ASP H 0.000 . 4.500 4.343 4.057 4.517 0.017 7 0 "[ . 1 . 2]" 1
81 1 16 ASP HA 1 17 ALA HA 0.000 . 5.500 4.819 4.767 4.850 . 0 0 "[ . 1 . 2]" 1
82 1 17 ALA HA 1 18 PHE H 0.000 . 5.500 3.541 3.457 3.567 . 0 0 "[ . 1 . 2]" 1
83 1 17 ALA HA 1 20 ASN QB 0.000 . 3.500 2.644 2.458 2.864 . 0 0 "[ . 1 . 2]" 1
84 1 17 ALA HA 1 20 ASN HD21 0.000 . 5.500 2.305 1.824 2.941 . 0 0 "[ . 1 . 2]" 1
85 1 17 ALA HA 1 20 ASN HD22 0.000 . 5.500 3.818 2.993 4.593 . 0 0 "[ . 1 . 2]" 1
86 1 17 ALA HA 1 20 ASN H 0.000 . 5.500 3.435 3.227 3.665 . 0 0 "[ . 1 . 2]" 1
87 1 17 ALA HA 1 21 SER H 0.000 . 4.500 3.506 3.052 3.948 . 0 0 "[ . 1 . 2]" 1
88 1 17 ALA HA 1 103 THR MG 0.000 . 5.500 4.235 3.822 4.714 . 0 0 "[ . 1 . 2]" 1
89 1 16 ASP HA 1 17 ALA MB 0.000 . 5.500 5.051 5.023 5.065 . 0 0 "[ . 1 . 2]" 1
90 1 16 ASP H 1 17 ALA MB 0.000 . 5.500 4.475 4.294 4.597 . 0 0 "[ . 1 . 2]" 1
91 1 17 ALA MB 1 18 PHE QD 0.000 . 5.500 5.112 4.900 5.287 . 0 0 "[ . 1 . 2]" 1
92 1 17 ALA MB 1 18 PHE H 0.000 . 4.500 2.648 2.486 2.917 . 0 0 "[ . 1 . 2]" 1
93 1 17 ALA MB 1 19 ILE H 0.000 . 5.500 4.577 4.435 4.821 . 0 0 "[ . 1 . 2]" 1
94 1 17 ALA MB 1 20 ASN QB 0.000 . 5.500 4.041 4.001 4.177 . 0 0 "[ . 1 . 2]" 1
95 1 17 ALA MB 1 103 THR HB 0.000 . 5.500 3.571 3.094 3.931 . 0 0 "[ . 1 . 2]" 1
96 1 17 ALA MB 1 103 THR MG 0.000 . 2.700 2.202 1.865 2.717 0.017 3 0 "[ . 1 . 2]" 1
97 1 16 ASP H 1 17 ALA H 0.000 . 3.500 2.904 2.706 2.989 . 0 0 "[ . 1 . 2]" 1
98 1 17 ALA H 1 19 ILE H 0.000 . 5.500 4.284 4.136 4.559 . 0 0 "[ . 1 . 2]" 1
99 1 17 ALA H 1 20 ASN HD21 0.000 . 5.500 4.579 3.525 5.536 0.036 11 0 "[ . 1 . 2]" 1
100 1 18 PHE HA 1 19 ILE H 0.000 . 5.500 3.557 3.539 3.588 . 0 0 "[ . 1 . 2]" 1
101 1 18 PHE HA 1 22 PHE H 0.000 . 5.500 4.046 3.882 4.221 . 0 0 "[ . 1 . 2]" 1
102 1 18 PHE HA 1 99 ALA HA 0.000 . 5.500 3.958 3.683 4.286 . 0 0 "[ . 1 . 2]" 1
103 1 18 PHE HA 1 99 ALA MB 0.000 . 5.500 2.163 1.862 2.747 . 0 0 "[ . 1 . 2]" 1
104 1 18 PHE HA 1 103 THR HB 0.000 . 5.500 4.381 3.939 4.800 . 0 0 "[ . 1 . 2]" 1
105 1 17 ALA H 1 18 PHE HB2 0.000 . 5.500 5.108 4.740 5.351 . 0 0 "[ . 1 . 2]" 1
106 1 18 PHE HB2 1 19 ILE H 0.000 . 5.500 3.835 3.632 3.994 . 0 0 "[ . 1 . 2]" 1
107 1 18 PHE HB2 1 99 ALA MB 0.000 . 5.500 3.726 3.401 4.084 . 0 0 "[ . 1 . 2]" 1
108 1 18 PHE QD 1 19 ILE HA 0.000 . 5.500 3.334 2.932 3.910 . 0 0 "[ . 1 . 2]" 1
109 1 18 PHE QD 1 19 ILE HB 0.000 . 5.500 5.143 4.435 5.525 0.025 15 0 "[ . 1 . 2]" 1
110 1 18 PHE QD 1 19 ILE H 0.000 . 5.500 3.511 3.095 3.903 . 0 0 "[ . 1 . 2]" 1
111 1 18 PHE QD 1 21 SER QB 0.000 . 5.500 4.666 4.292 5.046 . 0 0 "[ . 1 . 2]" 1
112 1 18 PHE QD 1 100 PHE HA 0.000 . 4.500 3.167 2.794 3.533 . 0 0 "[ . 1 . 2]" 1
113 1 18 PHE QD 1 100 PHE QD 0.000 . 5.500 4.661 4.256 4.902 . 0 0 "[ . 1 . 2]" 1
114 1 18 PHE QD 1 103 THR HB 0.000 . 5.500 3.901 3.166 4.557 . 0 0 "[ . 1 . 2]" 1
115 1 18 PHE QE 1 70 PHE HZ 0.000 . 5.500 4.853 4.224 5.372 . 0 0 "[ . 1 . 2]" 1
116 1 18 PHE QE 1 100 PHE HB2 0.000 . 5.500 3.822 3.308 4.157 . 0 0 "[ . 1 . 2]" 1
117 1 18 PHE QE 1 100 PHE H 0.000 . 5.500 2.754 2.200 3.218 . 0 0 "[ . 1 . 2]" 1
118 1 18 PHE QE 1 112 ILE MD 0.000 . 5.500 5.282 4.868 5.516 0.016 20 0 "[ . 1 . 2]" 1
119 1 14 ASN HA 1 18 PHE H 0.000 . 5.500 4.257 3.727 4.879 . 0 0 "[ . 1 . 2]" 1
120 1 16 ASP H 1 18 PHE H 0.000 . 5.500 4.079 3.741 4.343 . 0 0 "[ . 1 . 2]" 1
121 1 17 ALA H 1 18 PHE H 0.000 . 4.500 2.747 2.558 2.876 . 0 0 "[ . 1 . 2]" 1
122 1 18 PHE H 1 19 ILE HA 0.000 . 5.500 5.346 5.226 5.408 . 0 0 "[ . 1 . 2]" 1
123 1 18 PHE H 1 19 ILE HB 0.000 . 5.500 4.951 4.655 5.121 . 0 0 "[ . 1 . 2]" 1
124 1 18 PHE H 1 19 ILE H 0.000 . 4.500 2.692 2.530 2.783 . 0 0 "[ . 1 . 2]" 1
125 1 18 PHE HZ 1 100 PHE HA 0.000 . 5.500 5.266 4.372 5.523 0.023 19 0 "[ . 1 . 2]" 1
126 1 18 PHE HZ 1 100 PHE QD 0.000 . 5.000 3.956 3.003 4.580 . 0 0 "[ . 1 . 2]" 1
127 1 18 PHE HZ 1 100 PHE HZ 0.000 . 5.500 4.723 4.279 5.160 . 0 0 "[ . 1 . 2]" 1
128 1 18 PHE HZ 1 112 ILE MD 0.000 . 5.500 5.105 4.489 5.532 0.032 14 0 "[ . 1 . 2]" 1
129 1 18 PHE QD 1 103 THR HG1 0.000 . 4.500 2.099 1.861 2.659 . 0 0 "[ . 1 . 2]" 1
130 1 19 ILE HB 1 20 ASN H 0.000 . 4.500 2.511 2.373 2.695 . 0 0 "[ . 1 . 2]" 1
131 1 18 PHE H 1 19 ILE MD 0.000 . 5.500 4.928 4.460 5.518 0.018 13 0 "[ . 1 . 2]" 1
132 1 19 ILE MG 1 20 ASN HA 0.000 . 4.500 3.677 3.437 3.946 . 0 0 "[ . 1 . 2]" 1
133 1 19 ILE MG 1 20 ASN H 0.000 . 4.500 3.498 3.255 3.693 . 0 0 "[ . 1 . 2]" 1
134 1 19 ILE MG 1 22 PHE H 0.000 . 5.500 4.623 4.545 4.702 . 0 0 "[ . 1 . 2]" 1
135 1 19 ILE MG 1 23 ILE H 0.000 . 5.500 4.046 3.850 4.299 . 0 0 "[ . 1 . 2]" 1
136 1 19 ILE MG 1 44 GLY HA3 0.000 . 3.500 2.362 1.974 2.726 . 0 0 "[ . 1 . 2]" 1
137 1 19 ILE MG 1 44 GLY HA2 0.000 . 2.700 2.435 1.793 3.314 0.614 5 1 "[ + 1 . 2]" 1
138 1 19 ILE MG 1 45 ASN HA 0.000 . 5.500 2.438 1.859 2.803 . 0 0 "[ . 1 . 2]" 1
139 1 19 ILE MG 1 48 MET H 0.000 . 4.500 4.414 4.204 4.527 0.027 15 0 "[ . 1 . 2]" 1
140 1 19 ILE MG 1 70 PHE QD 0.000 . 3.500 2.845 2.338 3.311 . 0 0 "[ . 1 . 2]" 1
141 1 19 ILE MG 1 70 PHE QE 0.000 . 3.500 1.918 1.713 2.418 . 0 0 "[ . 1 . 2]" 1
142 1 19 ILE MG 1 70 PHE HZ 0.000 . 5.500 3.136 2.646 3.823 . 0 0 "[ . 1 . 2]" 1
143 1 19 ILE H 1 20 ASN H 0.000 . 4.500 2.636 2.536 2.745 . 0 0 "[ . 1 . 2]" 1
144 1 19 ILE H 1 22 PHE H 0.000 . 5.500 4.634 4.509 4.803 . 0 0 "[ . 1 . 2]" 1
145 1 19 ILE H 1 20 ASN HA 0.000 . 5.500 5.298 5.207 5.391 . 0 0 "[ . 1 . 2]" 1
146 1 20 ASN HA 1 21 SER H 0.000 . 5.500 3.578 3.570 3.585 . 0 0 "[ . 1 . 2]" 1
147 1 20 ASN HA 1 23 ILE HB 0.000 . 5.500 3.270 2.935 3.599 . 0 0 "[ . 1 . 2]" 1
148 1 20 ASN HA 1 23 ILE H 0.000 . 5.500 3.539 3.353 3.806 . 0 0 "[ . 1 . 2]" 1
149 1 20 ASN HA 1 24 SER H 0.000 . 4.500 3.953 3.592 4.372 . 0 0 "[ . 1 . 2]" 1
150 1 20 ASN QB 1 21 SER H 0.000 . 4.500 2.453 2.294 3.110 . 0 0 "[ . 1 . 2]" 1
151 1 20 ASN QB 1 22 PHE H 0.000 . 5.500 4.503 4.431 4.762 . 0 0 "[ . 1 . 2]" 1
152 1 20 ASN QB 1 24 SER H 0.000 . 5.500 4.904 4.622 5.079 . 0 0 "[ . 1 . 2]" 1
153 1 19 ILE HA 1 20 ASN H 0.000 . 5.500 3.563 3.542 3.576 . 0 0 "[ . 1 . 2]" 1
154 1 21 SER HA 1 22 PHE H 0.000 . 5.500 3.512 3.492 3.540 . 0 0 "[ . 1 . 2]" 1
155 1 21 SER HA 1 23 ILE H 0.000 . 5.500 4.662 4.211 4.844 . 0 0 "[ . 1 . 2]" 1
156 1 21 SER QB 1 102 GLN HB2 0.000 . 5.500 3.503 3.061 3.884 . 0 0 "[ . 1 . 2]" 1
157 1 19 ILE H 1 21 SER H 0.000 . 5.500 4.252 4.129 4.373 . 0 0 "[ . 1 . 2]" 1
158 1 20 ASN H 1 21 SER H 0.000 . 4.500 2.741 2.695 2.819 . 0 0 "[ . 1 . 2]" 1
159 1 21 SER H 1 22 PHE H 0.000 . 3.500 2.675 2.630 2.748 . 0 0 "[ . 1 . 2]" 1
160 1 21 SER H 1 23 ILE H 0.000 . 5.500 4.506 4.273 4.636 . 0 0 "[ . 1 . 2]" 1
161 1 22 PHE HA 1 23 ILE HA 0.000 . 5.500 4.784 4.748 4.813 . 0 0 "[ . 1 . 2]" 1
162 1 22 PHE HA 1 23 ILE H 0.000 . 5.500 3.575 3.538 3.588 . 0 0 "[ . 1 . 2]" 1
163 1 22 PHE HA 1 25 ALA H 0.000 . 4.500 3.731 3.592 3.848 . 0 0 "[ . 1 . 2]" 1
164 1 22 PHE HA 1 99 ALA MB 0.000 . 4.500 3.213 2.821 3.440 . 0 0 "[ . 1 . 2]" 1
165 1 21 SER H 1 22 PHE HB2 0.000 . 5.500 5.163 5.037 5.307 . 0 0 "[ . 1 . 2]" 1
166 1 22 PHE HB2 1 99 ALA H 0.000 . 5.500 5.411 5.220 5.512 0.012 5 0 "[ . 1 . 2]" 1
167 1 22 PHE HB3 1 23 ILE H 0.000 . 5.500 2.456 2.341 2.735 . 0 0 "[ . 1 . 2]" 1
168 1 19 ILE HA 1 22 PHE QD 0.000 . 5.500 4.425 3.818 4.698 . 0 0 "[ . 1 . 2]" 1
169 1 22 PHE QD 1 23 ILE HA 0.000 . 5.500 2.615 2.394 3.331 . 0 0 "[ . 1 . 2]" 1
170 1 22 PHE QD 1 23 ILE H 0.000 . 5.500 2.820 2.530 3.327 . 0 0 "[ . 1 . 2]" 1
171 1 22 PHE QD 1 24 SER H 0.000 . 5.500 5.087 4.867 5.440 . 0 0 "[ . 1 . 2]" 1
172 1 22 PHE QD 1 26 ALA H 0.000 . 4.500 4.353 4.149 4.507 0.007 8 0 "[ . 1 . 2]" 1
173 1 22 PHE QD 1 70 PHE HZ 0.000 . 5.500 2.578 2.179 3.123 . 0 0 "[ . 1 . 2]" 1
174 1 22 PHE QD 1 74 VAL MG1 0.000 . 5.500 3.809 3.088 5.383 . 0 0 "[ . 1 . 2]" 1
175 1 22 PHE QD 1 95 ALA HA 0.000 . 5.500 4.706 4.342 4.972 . 0 0 "[ . 1 . 2]" 1
176 1 22 PHE QD 1 95 ALA MB 0.000 . 4.500 2.558 1.847 3.010 . 0 0 "[ . 1 . 2]" 1
177 1 22 PHE QD 1 96 LEU HA 0.000 . 4.500 2.491 2.016 3.049 . 0 0 "[ . 1 . 2]" 1
178 1 22 PHE QD 1 99 ALA H 0.000 . 5.500 5.306 4.826 5.526 0.026 9 0 "[ . 1 . 2]" 1
179 1 22 PHE QE 1 23 ILE HA 0.000 . 5.500 3.790 3.481 4.198 . 0 0 "[ . 1 . 2]" 1
180 1 22 PHE QE 1 32 PHE HZ 0.000 . 4.500 4.423 3.824 4.526 0.026 5 0 "[ . 1 . 2]" 1
181 1 22 PHE QE 1 70 PHE HZ 0.000 . 5.500 3.825 3.310 4.360 . 0 0 "[ . 1 . 2]" 1
182 1 22 PHE QE 1 92 ILE HA 0.000 . 5.500 2.803 1.863 3.245 . 0 0 "[ . 1 . 2]" 1
183 1 19 ILE HA 1 22 PHE H 0.000 . 5.500 3.591 3.545 3.646 . 0 0 "[ . 1 . 2]" 1
184 1 20 ASN H 1 22 PHE H 0.000 . 5.500 3.908 3.784 4.059 . 0 0 "[ . 1 . 2]" 1
185 1 21 SER QB 1 22 PHE H 0.000 . 5.500 2.874 2.760 3.448 . 0 0 "[ . 1 . 2]" 1
186 1 22 PHE H 1 23 ILE H 0.000 . 4.500 2.714 2.608 2.810 . 0 0 "[ . 1 . 2]" 1
187 1 22 PHE H 1 99 ALA MB 0.000 . 5.500 3.324 3.184 3.473 . 0 0 "[ . 1 . 2]" 1
188 1 22 PHE H 1 23 ILE HB 0.000 . 5.500 4.947 4.835 5.062 . 0 0 "[ . 1 . 2]" 1
189 1 23 ILE HB 1 24 SER HA 0.000 . 5.500 4.203 4.136 4.256 . 0 0 "[ . 1 . 2]" 1
190 1 23 ILE HB 1 26 ALA H 0.000 . 5.500 5.528 5.496 5.568 0.068 17 0 "[ . 1 . 2]" 1
191 1 19 ILE HA 1 23 ILE H 0.000 . 5.500 4.241 3.993 4.554 . 0 0 "[ . 1 . 2]" 1
192 1 21 SER QB 1 23 ILE H 0.000 . 5.500 5.066 4.951 5.144 . 0 0 "[ . 1 . 2]" 1
193 1 24 SER HA 1 25 ALA H 0.000 . 5.500 3.536 3.510 3.562 . 0 0 "[ . 1 . 2]" 1
194 1 24 SER HA 1 27 SER H 0.000 . 5.500 3.784 3.649 3.909 . 0 0 "[ . 1 . 2]" 1
195 1 21 SER HA 1 24 SER H 0.000 . 4.500 3.907 3.659 4.087 . 0 0 "[ . 1 . 2]" 1
196 1 22 PHE HA 1 24 SER H 0.000 . 5.500 5.014 4.957 5.081 . 0 0 "[ . 1 . 2]" 1
197 1 22 PHE H 1 24 SER H 0.000 . 5.500 4.413 4.288 4.579 . 0 0 "[ . 1 . 2]" 1
198 1 23 ILE HA 1 24 SER H 0.000 . 4.500 3.589 3.585 3.592 . 0 0 "[ . 1 . 2]" 1
199 1 23 ILE H 1 24 SER H 0.000 . 4.500 2.852 2.756 2.925 . 0 0 "[ . 1 . 2]" 1
200 1 24 SER H 1 25 ALA H 0.000 . 3.500 2.743 2.640 2.838 . 0 0 "[ . 1 . 2]" 1
201 1 25 ALA MB 1 28 ASN H 0.000 . 5.500 4.633 4.451 4.798 . 0 0 "[ . 1 . 2]" 1
202 1 25 ALA H 1 27 SER H 0.000 . 5.500 3.895 3.775 4.036 . 0 0 "[ . 1 . 2]" 1
203 1 22 PHE QD 1 25 ALA H 0.000 . 5.500 5.258 4.981 5.506 0.006 8 0 "[ . 1 . 2]" 1
204 1 22 PHE HA 1 26 ALA H 0.000 . 5.500 3.563 3.416 3.800 . 0 0 "[ . 1 . 2]" 1
205 1 23 ILE HA 1 26 ALA H 0.000 . 5.500 3.568 3.463 3.656 . 0 0 "[ . 1 . 2]" 1
206 1 23 ILE H 1 26 ALA H 0.000 . 5.500 4.511 4.448 4.597 . 0 0 "[ . 1 . 2]" 1
207 1 24 SER H 1 26 ALA H 0.000 . 5.500 4.384 4.341 4.486 . 0 0 "[ . 1 . 2]" 1
208 1 25 ALA H 1 26 ALA H 0.000 . 3.500 2.572 2.551 2.619 . 0 0 "[ . 1 . 2]" 1
209 1 26 ALA H 1 27 SER H 0.000 . 4.500 2.653 2.531 2.730 . 0 0 "[ . 1 . 2]" 1
210 1 26 ALA H 1 28 ASN H 0.000 . 5.500 4.224 4.049 4.420 . 0 0 "[ . 1 . 2]" 1
211 1 26 ALA HA 1 29 THR H 0.000 . 3.500 3.184 3.093 3.313 . 0 0 "[ . 1 . 2]" 1
212 1 26 ALA HA 1 95 ALA H 0.000 . 5.000 3.628 3.430 3.884 . 0 0 "[ . 1 . 2]" 1
213 1 26 ALA HA 1 29 THR HB 0.000 . 4.500 2.566 2.436 2.709 . 0 0 "[ . 1 . 2]" 1
214 1 26 ALA HA 1 94 ASP QB 0.000 . 5.000 3.976 3.790 4.216 . 0 0 "[ . 1 . 2]" 1
215 1 23 ILE MG 1 27 SER HA 0.000 . 5.000 4.877 4.703 5.006 0.006 9 0 "[ . 1 . 2]" 1
216 1 27 SER HA 1 28 ASN H 0.000 . 3.500 3.513 3.475 3.533 0.033 7 0 "[ . 1 . 2]" 1
217 1 27 SER HA 1 37 MET ME 0.000 . 5.000 2.467 2.259 3.035 . 0 0 "[ . 1 . 2]" 1
218 1 27 SER QB 1 37 MET ME 0.000 . 3.500 1.779 1.632 1.885 . 0 0 "[ . 1 . 2]" 1
219 1 27 SER QB 1 32 PHE QB 0.000 . 4.500 3.840 3.159 4.452 . 0 0 "[ . 1 . 2]" 1
220 1 27 SER H 1 37 MET ME 0.000 . 4.500 4.341 2.982 4.510 0.010 3 0 "[ . 1 . 2]" 1
221 1 28 ASN HA 1 30 GLY H 0.000 . 5.500 5.459 5.324 5.517 0.017 18 0 "[ . 1 . 2]" 1
222 1 28 ASN HB2 1 29 THR H 0.000 . 4.500 3.782 3.679 4.491 . 0 0 "[ . 1 . 2]" 1
223 1 25 ALA HA 1 28 ASN H 0.000 . 5.500 3.660 3.427 3.867 . 0 0 "[ . 1 . 2]" 1
224 1 26 ALA MB 1 28 ASN H 0.000 . 5.500 4.449 4.319 4.609 . 0 0 "[ . 1 . 2]" 1
225 1 27 SER H 1 28 ASN H 0.000 . 4.500 2.680 2.607 2.771 . 0 0 "[ . 1 . 2]" 1
226 1 28 ASN H 1 29 THR HB 0.000 . 5.500 4.717 4.652 4.787 . 0 0 "[ . 1 . 2]" 1
227 1 28 ASN H 1 29 THR H 0.000 . 3.500 2.371 2.345 2.399 . 0 0 "[ . 1 . 2]" 1
228 1 29 THR MG 1 30 GLY H 0.000 . 4.500 2.956 2.699 3.118 . 0 0 "[ . 1 . 2]" 1
229 1 29 THR MG 1 32 PHE QD 0.000 . 5.500 5.533 5.474 5.580 0.080 17 0 "[ . 1 . 2]" 1
230 1 29 THR MG 1 32 PHE QE 0.000 . 5.500 5.257 5.126 5.419 . 0 0 "[ . 1 . 2]" 1
231 1 29 THR MG 1 87 VAL QG 0.000 . 4.500 4.343 4.182 4.407 . 0 0 "[ . 1 . 2]" 1
232 1 29 THR MG 1 91 ALA H 0.000 . 5.500 3.663 3.579 3.784 . 0 0 "[ . 1 . 2]" 1
233 1 29 THR MG 1 92 ILE H 0.000 . 5.500 4.659 4.431 4.808 . 0 0 "[ . 1 . 2]" 1
234 1 29 THR MG 1 93 ALA MB 0.000 . 5.500 4.724 4.568 4.830 . 0 0 "[ . 1 . 2]" 1
235 1 29 THR MG 1 94 ASP H 0.000 . 5.500 3.312 3.095 3.440 . 0 0 "[ . 1 . 2]" 1
236 1 29 THR MG 1 95 ALA H 0.000 . 5.500 3.588 3.239 3.815 . 0 0 "[ . 1 . 2]" 1
237 1 28 ASN HA 1 29 THR H 0.000 . 5.500 3.243 3.233 3.252 . 0 0 "[ . 1 . 2]" 1
238 1 29 THR HA 1 91 ALA HA 0.000 . 4.500 4.438 4.288 4.540 0.040 20 0 "[ . 1 . 2]" 1
239 1 30 GLY H 1 31 SER H 0.000 . 3.500 3.476 3.365 3.562 0.062 15 0 "[ . 1 . 2]" 1
240 1 30 GLY H 1 32 PHE H 0.000 . 5.500 5.192 4.025 5.494 . 0 0 "[ . 1 . 2]" 1
241 1 26 ALA MB 1 30 GLY QA 0.000 . 5.500 5.489 5.305 5.532 0.032 7 0 "[ . 1 . 2]" 1
242 1 30 GLY QA 1 32 PHE QB 0.000 . 5.500 5.122 5.060 5.223 . 0 0 "[ . 1 . 2]" 1
243 1 30 GLY QA 1 87 VAL QG 0.000 . 4.500 2.251 1.720 2.504 . 0 0 "[ . 1 . 2]" 1
244 1 29 THR HA 1 30 GLY H 0.000 . 4.500 3.570 3.556 3.582 . 0 0 "[ . 1 . 2]" 1
245 1 31 SER HA 1 32 PHE H 0.000 . 4.500 3.525 3.164 3.592 . 0 0 "[ . 1 . 2]" 1
246 1 30 GLY HA2 1 31 SER H 0.000 . 5.500 3.421 3.399 3.448 . 0 0 "[ . 1 . 2]" 1
247 1 31 SER H 1 32 PHE H 0.000 . 2.700 2.231 1.847 2.443 . 0 0 "[ . 1 . 2]" 1
248 1 29 THR HB 1 31 SER H 0.000 . 5.500 5.262 5.136 5.411 . 0 0 "[ . 1 . 2]" 1
249 1 29 THR H 1 31 SER H 0.000 . 5.500 5.510 5.471 5.525 0.025 16 0 "[ . 1 . 2]" 1
250 1 31 SER H 1 88 THR HA 0.000 . 5.500 5.093 4.907 5.267 . 0 0 "[ . 1 . 2]" 1
251 1 31 SER H 1 32 PHE HA 0.000 . 5.500 4.401 4.078 4.599 . 0 0 "[ . 1 . 2]" 1
252 1 32 PHE HA 1 33 SER H 0.000 . 3.500 2.315 2.211 2.469 . 0 0 "[ . 1 . 2]" 1
253 1 32 PHE HA 1 37 MET QG 0.000 . 5.500 4.400 3.751 4.845 . 0 0 "[ . 1 . 2]" 1
254 1 26 ALA MB 1 32 PHE QD 0.000 . 4.500 2.914 2.582 3.117 . 0 0 "[ . 1 . 2]" 1
255 1 27 SER HA 1 32 PHE QD 0.000 . 4.500 2.934 2.846 3.180 . 0 0 "[ . 1 . 2]" 1
256 1 29 THR HB 1 32 PHE QD 0.000 . 5.500 4.306 4.255 4.358 . 0 0 "[ . 1 . 2]" 1
257 1 30 GLY H 1 32 PHE QD 0.000 . 4.500 3.595 3.287 3.814 . 0 0 "[ . 1 . 2]" 1
258 1 31 SER H 1 32 PHE QD 0.000 . 4.500 3.795 3.413 4.053 . 0 0 "[ . 1 . 2]" 1
259 1 32 PHE QD 1 36 GLN H 0.000 . 5.500 5.093 4.789 5.455 . 0 0 "[ . 1 . 2]" 1
260 1 32 PHE QD 1 37 MET HG2 0.000 . 5.500 4.604 3.906 5.082 . 0 0 "[ . 1 . 2]" 1
261 1 32 PHE QD 1 77 ILE MG 0.000 . 4.500 3.363 2.663 3.803 . 0 0 "[ . 1 . 2]" 1
262 1 32 PHE QD 1 78 ALA H 0.000 . 5.500 5.316 4.857 5.516 0.016 20 0 "[ . 1 . 2]" 1
263 1 30 GLY H 1 32 PHE QE 0.000 . 5.500 4.251 3.751 4.614 . 0 0 "[ . 1 . 2]" 1
264 1 31 SER H 1 32 PHE QE 0.000 . 5.500 4.916 4.525 5.248 . 0 0 "[ . 1 . 2]" 1
265 1 32 PHE QE 1 91 ALA H 0.000 . 5.500 5.102 4.859 5.436 . 0 0 "[ . 1 . 2]" 1
266 1 32 PHE QE 1 92 ILE HA 0.000 . 5.500 3.611 3.293 3.865 . 0 0 "[ . 1 . 2]" 1
267 1 32 PHE QE 1 92 ILE H 0.000 . 5.500 3.684 3.481 3.853 . 0 0 "[ . 1 . 2]" 1
268 1 31 SER HB3 1 32 PHE H 0.000 . 5.500 3.028 2.092 4.393 . 0 0 "[ . 1 . 2]" 1
269 1 32 PHE QD 1 36 GLN QB 0.000 . 5.000 2.129 1.868 2.432 . 0 0 "[ . 1 . 2]" 1
270 1 32 PHE QD 1 37 MET ME 0.000 . 4.500 4.364 3.989 4.538 0.038 5 0 "[ . 1 . 2]" 1
271 1 32 PHE QD 1 37 MET QG 0.000 . 4.500 4.175 3.607 4.507 0.007 20 0 "[ . 1 . 2]" 1
272 1 32 PHE QD 1 81 GLN QB 0.000 . 5.000 5.002 4.750 5.041 0.041 4 0 "[ . 1 . 2]" 1
273 1 32 PHE QD 1 81 GLN QG 0.000 . 4.500 3.560 3.213 4.280 . 0 0 "[ . 1 . 2]" 1
274 1 27 SER HA 1 32 PHE QE 0.000 . 5.000 4.955 4.894 5.025 0.025 17 0 "[ . 1 . 2]" 1
275 1 32 PHE H 1 33 SER HA 0.000 . 5.500 5.319 5.254 5.545 0.045 5 0 "[ . 1 . 2]" 1
276 1 33 SER HA 1 34 GLN HA 0.000 . 5.500 4.366 4.362 4.369 . 0 0 "[ . 1 . 2]" 1
277 1 33 SER HA 1 34 GLN H 0.000 . 5.500 2.415 2.375 2.474 . 0 0 "[ . 1 . 2]" 1
278 1 32 PHE HB3 1 33 SER H 0.000 . 5.500 4.056 3.725 4.251 . 0 0 "[ . 1 . 2]" 1
279 1 32 PHE QD 1 33 SER H 0.000 . 4.500 3.989 3.737 4.509 0.009 1 0 "[ . 1 . 2]" 1
280 1 32 PHE H 1 33 SER H 0.000 . 5.500 3.661 3.288 4.412 . 0 0 "[ . 1 . 2]" 1
281 1 33 SER H 1 35 ASP H 0.000 . 5.500 5.166 4.836 5.373 . 0 0 "[ . 1 . 2]" 1
282 1 33 SER H 1 36 GLN H 0.000 . 5.500 3.812 3.616 3.930 . 0 0 "[ . 1 . 2]" 1
283 1 33 SER H 1 37 MET H 0.000 . 5.500 4.857 4.379 5.170 . 0 0 "[ . 1 . 2]" 1
284 1 33 SER HA 1 34 GLN QB 0.000 . 5.500 4.650 4.303 4.757 . 0 0 "[ . 1 . 2]" 1
285 1 34 GLN HA 1 36 GLN H 0.000 . 5.500 4.271 4.154 4.653 . 0 0 "[ . 1 . 2]" 1
286 1 34 GLN HA 1 37 MET HA 0.000 . 5.500 5.162 4.931 5.326 . 0 0 "[ . 1 . 2]" 1
287 1 34 GLN HA 1 37 MET H 0.000 . 3.500 3.249 3.116 3.479 . 0 0 "[ . 1 . 2]" 1
288 1 34 GLN HB3 1 35 ASP H 0.000 . 5.500 3.533 2.505 3.828 . 0 0 "[ . 1 . 2]" 1
289 1 34 GLN HB3 1 37 MET H 0.000 . 5.500 5.142 4.990 5.369 . 0 0 "[ . 1 . 2]" 1
290 1 34 GLN HB3 1 38 GLU H 0.000 . 5.500 5.300 5.048 5.503 0.003 6 0 "[ . 1 . 2]" 1
291 1 33 SER HB2 1 34 GLN H 0.000 . 5.500 3.212 2.471 3.942 . 0 0 "[ . 1 . 2]" 1
292 1 34 GLN H 1 35 ASP H 0.000 . 5.500 2.806 2.754 2.846 . 0 0 "[ . 1 . 2]" 1
293 1 34 GLN H 1 35 ASP HA 0.000 . 5.500 5.432 5.386 5.460 . 0 0 "[ . 1 . 2]" 1
294 1 34 GLN HB3 1 35 ASP HA 0.000 . 4.500 4.402 3.974 4.515 0.015 9 0 "[ . 1 . 2]" 1
295 1 33 SER HA 1 35 ASP H 0.000 . 4.500 4.313 4.114 4.511 0.011 14 0 "[ . 1 . 2]" 1
296 1 34 GLN QB 1 35 ASP H 0.000 . 3.500 2.602 2.459 2.784 . 0 0 "[ . 1 . 2]" 1
297 1 34 GLN QG 1 35 ASP H 0.000 . 4.500 4.029 3.899 4.146 . 0 0 "[ . 1 . 2]" 1
298 1 36 GLN HA 1 38 GLU H 0.000 . 5.500 4.119 3.974 4.317 . 0 0 "[ . 1 . 2]" 1
299 1 33 SER HB2 1 36 GLN H 0.000 . 5.500 3.490 2.502 4.374 . 0 0 "[ . 1 . 2]" 1
300 1 35 ASP H 1 36 GLN H 0.000 . 4.500 2.674 2.549 2.800 . 0 0 "[ . 1 . 2]" 1
301 1 36 GLN H 1 37 MET HA 0.000 . 5.500 5.190 5.144 5.291 . 0 0 "[ . 1 . 2]" 1
302 1 36 GLN H 1 38 GLU H 0.000 . 5.500 4.080 4.018 4.181 . 0 0 "[ . 1 . 2]" 1
303 1 32 PHE QB 1 36 GLN H 0.000 . 5.000 5.016 4.965 5.039 0.039 17 0 "[ . 1 . 2]" 1
304 1 33 SER QB 1 36 GLN H 0.000 . 4.500 3.117 2.471 3.863 . 0 0 "[ . 1 . 2]" 1
305 1 33 SER QB 1 36 GLN QB 0.000 . 4.500 3.850 3.388 4.340 . 0 0 "[ . 1 . 2]" 1
306 1 35 ASP H 1 36 GLN QB 0.000 . 5.500 4.794 4.701 4.928 . 0 0 "[ . 1 . 2]" 1
307 1 36 GLN QB 1 37 MET HA 0.000 . 4.500 3.925 3.897 3.941 . 0 0 "[ . 1 . 2]" 1
308 1 36 GLN QB 1 37 MET QG 0.000 . 4.500 3.352 3.243 3.454 . 0 0 "[ . 1 . 2]" 1
309 1 36 GLN QB 1 77 ILE MG 0.000 . 3.500 2.753 2.368 3.298 . 0 0 "[ . 1 . 2]" 1
310 1 36 GLN QB 1 78 ALA HA 0.000 . 5.500 3.965 3.559 4.302 . 0 0 "[ . 1 . 2]" 1
311 1 37 MET HA 1 40 MET H 0.000 . 5.500 3.328 3.237 3.477 . 0 0 "[ . 1 . 2]" 1
312 1 37 MET HA 1 41 SER H 0.000 . 5.500 4.627 3.921 5.361 . 0 0 "[ . 1 . 2]" 1
313 1 32 PHE QD 1 37 MET H 0.000 . 5.500 4.782 4.338 5.079 . 0 0 "[ . 1 . 2]" 1
314 1 36 GLN HA 1 37 MET H 0.000 . 5.500 3.526 3.512 3.538 . 0 0 "[ . 1 . 2]" 1
315 1 36 GLN H 1 37 MET H 0.000 . 4.500 2.518 2.457 2.636 . 0 0 "[ . 1 . 2]" 1
316 1 37 MET H 1 38 GLU H 0.000 . 4.500 2.632 2.580 2.674 . 0 0 "[ . 1 . 2]" 1
317 1 38 GLU HA 1 39 ASN H 0.000 . 5.500 3.564 3.540 3.579 . 0 0 "[ . 1 . 2]" 1
318 1 38 GLU HG3 1 39 ASN H 0.000 . 5.500 4.622 3.773 5.046 . 0 0 "[ . 1 . 2]" 1
319 1 37 MET HA 1 38 GLU H 0.000 . 4.500 3.530 3.511 3.554 . 0 0 "[ . 1 . 2]" 1
320 1 37 MET HG2 1 38 GLU H 0.000 . 5.500 4.952 4.459 5.061 . 0 0 "[ . 1 . 2]" 1
321 1 38 GLU H 1 39 ASN H 0.000 . 4.500 2.754 2.557 2.832 . 0 0 "[ . 1 . 2]" 1
322 1 38 GLU HA 1 39 ASN HA 0.000 . 5.500 4.841 4.782 4.863 . 0 0 "[ . 1 . 2]" 1
323 1 38 GLU HB2 1 39 ASN HA 0.000 . 5.500 5.075 4.361 5.632 0.132 1 0 "[ . 1 . 2]" 1
324 1 36 GLN HB2 1 39 ASN H 0.000 . 5.500 5.618 5.492 5.735 0.235 15 0 "[ . 1 . 2]" 1
325 1 40 MET HA 1 41 SER H 0.000 . 3.500 3.517 3.508 3.534 0.034 5 0 "[ . 1 . 2]" 1
326 1 40 MET HA 1 42 LEU H 0.000 . 4.500 3.915 3.623 3.995 . 0 0 "[ . 1 . 2]" 1
327 1 40 MET HA 1 77 ILE MD 0.000 . 4.500 2.148 1.842 3.040 . 0 0 "[ . 1 . 2]" 1
328 1 38 GLU HA 1 40 MET H 0.000 . 5.500 4.303 3.979 4.589 . 0 0 "[ . 1 . 2]" 1
329 1 39 ASN H 1 40 MET H 0.000 . 3.000 2.734 2.625 2.786 . 0 0 "[ . 1 . 2]" 1
330 1 40 MET H 1 41 SER H 0.000 . 4.500 2.654 2.573 2.717 . 0 0 "[ . 1 . 2]" 1
331 1 41 SER H 1 42 LEU H 0.000 . 4.500 2.541 2.517 2.697 . 0 0 "[ . 1 . 2]" 1
332 1 42 LEU HA 1 43 ILE HA 0.000 . 5.500 4.537 4.507 4.559 . 0 0 "[ . 1 . 2]" 1
333 1 42 LEU H 1 43 ILE HB 0.000 . 4.500 4.496 4.359 4.552 0.052 7 0 "[ . 1 . 2]" 1
334 1 43 ILE MG 1 70 PHE HA 0.000 . 4.500 3.577 3.301 4.074 . 0 0 "[ . 1 . 2]" 1
335 1 43 ILE MG 1 73 SER HB2 0.000 . 5.500 1.996 1.726 2.721 . 0 0 "[ . 1 . 2]" 1
336 1 42 LEU H 1 43 ILE H 0.000 . 5.500 2.266 2.027 2.347 . 0 0 "[ . 1 . 2]" 1
337 1 43 ILE H 1 44 GLY H 0.000 . 5.500 4.500 4.425 4.537 . 0 0 "[ . 1 . 2]" 1
338 1 44 GLY HA3 1 45 ASN HA 0.000 . 5.500 4.382 4.371 4.432 . 0 0 "[ . 1 . 2]" 1
339 1 44 GLY HA3 1 70 PHE QD 0.000 . 5.500 3.080 2.054 4.317 . 0 0 "[ . 1 . 2]" 1
340 1 44 GLY HA3 1 70 PHE QE 0.000 . 5.500 2.208 1.871 2.921 . 0 0 "[ . 1 . 2]" 1
341 1 44 GLY H 1 45 ASN H 0.000 . 5.500 3.968 3.735 4.334 . 0 0 "[ . 1 . 2]" 1
342 1 45 ASN HA 1 47 LEU H 0.000 . 4.500 4.119 4.007 4.205 . 0 0 "[ . 1 . 2]" 1
343 1 45 ASN HA 1 49 ALA H 0.000 . 5.500 5.371 4.892 5.528 0.028 14 0 "[ . 1 . 2]" 1
344 1 45 ASN HA 1 46 THR H 0.000 . 4.500 3.528 3.466 3.560 . 0 0 "[ . 1 . 2]" 1
345 1 46 THR H 1 48 MET H 0.000 . 5.500 4.199 4.110 4.261 . 0 0 "[ . 1 . 2]" 1
346 1 47 LEU H 1 48 MET H 0.000 . 5.500 2.731 2.650 2.821 . 0 0 "[ . 1 . 2]" 1
347 1 48 MET H 1 50 ALA H 0.000 . 5.500 4.170 3.876 4.386 . 0 0 "[ . 1 . 2]" 1
348 1 51 MET H 1 52 ASP H 0.000 . 5.500 2.712 2.640 2.795 . 0 0 "[ . 1 . 2]" 1
349 1 52 ASP HA 1 53 ASN H 0.000 . 3.500 3.478 3.364 3.521 0.021 14 0 "[ . 1 . 2]" 1
350 1 53 ASN HA 1 54 MET HA 0.000 . 5.500 4.866 4.810 4.922 . 0 0 "[ . 1 . 2]" 1
351 1 54 MET HA 1 55 GLY H 0.000 . 5.000 3.509 3.412 3.576 . 0 0 "[ . 1 . 2]" 1
352 1 50 ALA HA 1 54 MET H 0.000 . 5.500 5.442 5.126 5.531 0.031 16 0 "[ . 1 . 2]" 1
353 1 54 MET HA 1 55 GLY QA 0.000 . 5.000 4.288 4.252 4.333 . 0 0 "[ . 1 . 2]" 1
354 1 54 MET HA 1 57 ARG QG 0.000 . 5.500 3.381 2.896 3.709 . 0 0 "[ . 1 . 2]" 1
355 1 54 MET QB 1 57 ARG QB 0.000 . 4.000 4.012 3.967 4.069 0.069 10 0 "[ . 1 . 2]" 1
356 1 53 ASN HA 1 54 MET H 0.000 . 3.500 3.503 3.466 3.552 0.052 20 0 "[ . 1 . 2]" 1
357 1 54 MET H 1 58 ILE MD 0.000 . 5.000 4.042 3.694 4.401 . 0 0 "[ . 1 . 2]" 1
358 1 53 ASN HA 1 55 GLY H 0.000 . 4.500 3.869 3.483 4.308 . 0 0 "[ . 1 . 2]" 1
359 1 54 MET H 1 55 GLY H 0.000 . 5.500 2.712 2.580 2.924 . 0 0 "[ . 1 . 2]" 1
360 1 55 GLY QA 1 57 ARG QG 0.000 . 5.000 3.900 3.661 4.218 . 0 0 "[ . 1 . 2]" 1
361 1 55 GLY QA 1 57 ARG H 0.000 . 4.500 3.867 3.681 4.309 . 0 0 "[ . 1 . 2]" 1
362 1 56 GLY HA3 1 57 ARG H 0.000 . 5.500 3.420 3.294 3.534 . 0 0 "[ . 1 . 2]" 1
363 1 56 GLY HA2 1 57 ARG H 0.000 . 5.500 3.140 2.983 3.313 . 0 0 "[ . 1 . 2]" 1
364 1 56 GLY QA 1 57 ARG QG 0.000 . 5.000 4.399 4.254 4.486 . 0 0 "[ . 1 . 2]" 1
365 1 56 GLY QA 1 58 ILE MD 0.000 . 4.500 4.120 3.828 4.588 0.088 9 0 "[ . 1 . 2]" 1
366 1 57 ARG HA 1 58 ILE HA 0.000 . 5.500 4.455 4.449 4.467 . 0 0 "[ . 1 . 2]" 1
367 1 57 ARG HA 1 58 ILE MG 0.000 . 5.500 5.511 5.502 5.531 0.031 9 0 "[ . 1 . 2]" 1
368 1 57 ARG HA 1 58 ILE H 0.000 . 3.500 2.198 2.186 2.209 . 0 0 "[ . 1 . 2]" 1
369 1 57 ARG HB2 1 58 ILE HA 0.000 . 5.500 4.823 4.729 4.882 . 0 0 "[ . 1 . 2]" 1
370 1 57 ARG HB2 1 58 ILE H 0.000 . 5.500 3.682 3.624 3.707 . 0 0 "[ . 1 . 2]" 1
371 1 57 ARG H 1 58 ILE MD 0.000 . 5.500 3.158 2.821 4.209 . 0 0 "[ . 1 . 2]" 1
372 1 56 GLY QA 1 57 ARG H 0.000 . 3.500 2.899 2.833 2.943 . 0 0 "[ . 1 . 2]" 1
373 1 57 ARG H 1 58 ILE HA 0.000 . 5.500 4.755 4.632 4.851 . 0 0 "[ . 1 . 2]" 1
374 1 58 ILE HA 1 59 THR H 0.000 . 4.500 2.293 2.188 2.396 . 0 0 "[ . 1 . 2]" 1
375 1 12 LYS QG 1 58 ILE HB 0.000 . 4.500 4.153 3.723 4.390 . 0 0 "[ . 1 . 2]" 1
376 1 58 ILE HB 1 59 THR H 0.000 . 4.500 3.828 3.532 4.132 . 0 0 "[ . 1 . 2]" 1
377 1 52 ASP HA 1 58 ILE MD 0.000 . 5.500 5.199 4.657 5.513 0.013 1 0 "[ . 1 . 2]" 1
378 1 54 MET HA 1 58 ILE MD 0.000 . 4.500 4.302 4.140 4.527 0.027 20 0 "[ . 1 . 2]" 1
379 1 56 GLY HA2 1 58 ILE MD 0.000 . 5.500 4.271 3.961 4.774 . 0 0 "[ . 1 . 2]" 1
380 1 57 ARG HB2 1 58 ILE MD 0.000 . 5.500 4.991 4.706 5.535 0.035 9 0 "[ . 1 . 2]" 1
381 1 57 ARG HA 1 58 ILE QG 0.000 . 5.500 3.756 3.569 3.902 . 0 0 "[ . 1 . 2]" 1
382 1 57 ARG HB2 1 58 ILE QG 0.000 . 5.500 5.458 5.263 5.516 0.016 18 0 "[ . 1 . 2]" 1
383 1 58 ILE MG 1 63 LEU H 0.000 . 5.500 3.632 3.243 4.314 . 0 0 "[ . 1 . 2]" 1
384 1 58 ILE MG 1 64 GLN H 0.000 . 5.500 5.463 5.054 5.567 0.067 6 0 "[ . 1 . 2]" 1
385 1 11 SER HA 1 58 ILE HB 0.000 . 5.000 4.115 3.452 4.919 . 0 0 "[ . 1 . 2]" 1
386 1 57 ARG HA 1 58 ILE HB 0.000 . 5.000 4.815 4.676 4.896 . 0 0 "[ . 1 . 2]" 1
387 1 12 LYS QD 1 58 ILE H 0.000 . 5.000 4.632 4.228 5.027 0.027 12 0 "[ . 1 . 2]" 1
388 1 58 ILE H 1 59 THR HA 0.000 . 5.500 4.990 4.905 5.152 . 0 0 "[ . 1 . 2]" 1
389 1 59 THR H 1 62 LYS H 0.000 . 4.500 4.187 3.877 4.510 0.010 7 0 "[ . 1 . 2]" 1
390 1 59 THR H 1 63 LEU H 0.000 . 5.500 3.599 2.992 4.498 . 0 0 "[ . 1 . 2]" 1
391 1 57 ARG QG 1 59 THR H 0.000 . 5.500 5.248 4.643 5.520 0.020 16 0 "[ . 1 . 2]" 1
392 1 10 SER H 1 63 LEU HB3 0.000 . 5.500 5.031 4.464 5.550 0.050 7 0 "[ . 1 . 2]" 1
393 1 5 ALA MB 1 63 LEU QD 0.000 . 5.500 4.887 3.638 5.362 . 0 0 "[ . 1 . 2]" 1
394 1 11 SER H 1 63 LEU QD 0.000 . 4.500 3.118 2.741 3.577 . 0 0 "[ . 1 . 2]" 1
395 1 12 LYS H 1 63 LEU QD 0.000 . 5.500 3.488 2.383 3.871 . 0 0 "[ . 1 . 2]" 1
396 1 13 ALA H 1 63 LEU QD 0.000 . 5.500 5.172 4.507 5.389 . 0 0 "[ . 1 . 2]" 1
397 1 59 THR HA 1 63 LEU QD 0.000 . 4.500 4.288 3.893 4.488 . 0 0 "[ . 1 . 2]" 1
398 1 62 LYS H 1 63 LEU H 0.000 . 3.000 2.623 2.446 2.829 . 0 0 "[ . 1 . 2]" 1
399 1 64 GLN HA 1 65 ALA H 0.000 . 5.500 3.548 3.503 3.575 . 0 0 "[ . 1 . 2]" 1
400 1 9 TRP HB2 1 64 GLN H 0.000 . 5.500 5.492 5.135 5.558 0.058 6 0 "[ . 1 . 2]" 1
401 1 64 GLN H 1 65 ALA MB 0.000 . 5.500 4.413 4.178 4.524 . 0 0 "[ . 1 . 2]" 1
402 1 63 LEU HB2 1 65 ALA H 0.000 . 5.500 5.332 4.972 5.508 0.008 14 0 "[ . 1 . 2]" 1
403 1 64 GLN H 1 65 ALA H 0.000 . 4.500 2.765 2.538 2.845 . 0 0 "[ . 1 . 2]" 1
404 1 65 ALA H 1 66 LEU H 0.000 . 4.500 2.569 2.438 2.945 . 0 0 "[ . 1 . 2]" 1
405 1 63 LEU HA 1 66 LEU QD 0.000 . 4.500 3.221 1.751 4.018 . 0 0 "[ . 1 . 2]" 1
406 1 67 ASP QB 1 111 PHE QD 0.000 . 5.500 5.014 4.475 5.292 . 0 0 "[ . 1 . 2]" 1
407 1 63 LEU HA 1 67 ASP H 0.000 . 4.500 3.636 2.899 4.513 0.013 5 0 "[ . 1 . 2]" 1
408 1 63 LEU QD 1 67 ASP H 0.000 . 5.500 4.045 3.200 5.355 . 0 0 "[ . 1 . 2]" 1
409 1 64 GLN HA 1 67 ASP H 0.000 . 4.500 3.623 3.212 4.050 . 0 0 "[ . 1 . 2]" 1
410 1 65 ALA MB 1 67 ASP H 0.000 . 5.000 4.674 4.493 4.912 . 0 0 "[ . 1 . 2]" 1
411 1 66 LEU HG 1 67 ASP H 0.000 . 4.500 3.916 1.829 4.516 0.016 4 0 "[ . 1 . 2]" 1
412 1 67 ASP H 1 68 MET H 0.000 . 3.500 2.890 2.829 2.962 . 0 0 "[ . 1 . 2]" 1
413 1 69 ALA HA 1 70 PHE H 0.000 . 5.500 3.562 3.534 3.578 . 0 0 "[ . 1 . 2]" 1
414 1 69 ALA MB 1 70 PHE HA 0.000 . 5.500 3.758 3.662 3.852 . 0 0 "[ . 1 . 2]" 1
415 1 69 ALA MB 1 70 PHE H 0.000 . 3.500 2.542 2.381 2.697 . 0 0 "[ . 1 . 2]" 1
416 1 68 MET H 1 69 ALA H 0.000 . 5.500 2.639 2.530 2.812 . 0 0 "[ . 1 . 2]" 1
417 1 70 PHE HA 1 71 ALA H 0.000 . 5.500 3.551 3.537 3.569 . 0 0 "[ . 1 . 2]" 1
418 1 70 PHE HB2 1 71 ALA H 0.000 . 5.500 3.917 3.789 4.007 . 0 0 "[ . 1 . 2]" 1
419 1 70 PHE HB3 1 71 ALA H 0.000 . 5.500 2.633 2.471 2.738 . 0 0 "[ . 1 . 2]" 1
420 1 70 PHE HB3 1 72 SER H 0.000 . 5.500 5.024 4.888 5.232 . 0 0 "[ . 1 . 2]" 1
421 1 18 PHE QD 1 70 PHE QD 0.000 . 5.500 4.259 3.700 5.019 . 0 0 "[ . 1 . 2]" 1
422 1 18 PHE QE 1 70 PHE QD 0.000 . 5.500 3.121 2.591 3.955 . 0 0 "[ . 1 . 2]" 1
423 1 19 ILE HA 1 70 PHE QD 0.000 . 4.500 4.443 4.192 4.525 0.025 13 0 "[ . 1 . 2]" 1
424 1 67 ASP HA 1 70 PHE QD 0.000 . 5.500 4.923 4.205 5.295 . 0 0 "[ . 1 . 2]" 1
425 1 70 PHE QD 1 71 ALA H 0.000 . 5.500 3.505 3.283 3.707 . 0 0 "[ . 1 . 2]" 1
426 1 70 PHE QD 1 72 SER H 0.000 . 5.500 5.453 5.109 5.514 0.014 10 0 "[ . 1 . 2]" 1
427 1 70 PHE QD 1 73 SER HB3 0.000 . 5.500 5.394 4.025 6.386 0.886 8 3 "[ - . + 1 . *2]" 1
428 1 70 PHE QD 1 74 VAL H 0.000 . 5.500 4.729 4.557 4.930 . 0 0 "[ . 1 . 2]" 1
429 1 18 PHE QD 1 70 PHE QE 0.000 . 5.500 4.118 3.530 5.029 . 0 0 "[ . 1 . 2]" 1
430 1 18 PHE QE 1 70 PHE QE 0.000 . 5.500 3.056 2.398 3.845 . 0 0 "[ . 1 . 2]" 1
431 1 44 GLY H 1 70 PHE QE 0.000 . 5.500 4.578 3.671 5.401 . 0 0 "[ . 1 . 2]" 1
432 1 70 PHE QE 1 74 VAL H 0.000 . 5.500 5.182 4.917 5.493 . 0 0 "[ . 1 . 2]" 1
433 1 68 MET H 1 70 PHE H 0.000 . 5.500 4.276 4.055 4.412 . 0 0 "[ . 1 . 2]" 1
434 1 69 ALA H 1 70 PHE H 0.000 . 5.500 2.761 2.559 2.863 . 0 0 "[ . 1 . 2]" 1
435 1 22 PHE HZ 1 70 PHE HZ 0.000 . 5.500 5.065 4.505 5.506 0.006 12 0 "[ . 1 . 2]" 1
436 1 66 LEU QD 1 70 PHE H 0.000 . 5.500 4.011 3.053 5.098 . 0 0 "[ . 1 . 2]" 1
437 1 67 ASP HA 1 70 PHE H 0.000 . 4.500 3.639 3.446 3.951 . 0 0 "[ . 1 . 2]" 1
438 1 68 MET HA 1 70 PHE H 0.000 . 4.500 4.393 4.085 4.517 0.017 18 0 "[ . 1 . 2]" 1
439 1 70 PHE HB3 1 71 ALA HA 0.000 . 5.500 4.316 4.222 4.476 . 0 0 "[ . 1 . 2]" 1
440 1 70 PHE QD 1 71 ALA HA 0.000 . 4.500 3.346 2.923 3.725 . 0 0 "[ . 1 . 2]" 1
441 1 70 PHE QE 1 71 ALA HA 0.000 . 5.500 4.557 4.154 4.737 . 0 0 "[ . 1 . 2]" 1
442 1 70 PHE H 1 71 ALA HA 0.000 . 5.500 5.418 5.291 5.466 . 0 0 "[ . 1 . 2]" 1
443 1 71 ALA HA 1 72 SER H 0.000 . 5.500 3.546 3.510 3.579 . 0 0 "[ . 1 . 2]" 1
444 1 71 ALA HA 1 73 SER H 0.000 . 5.500 4.437 4.198 4.864 . 0 0 "[ . 1 . 2]" 1
445 1 71 ALA HA 1 74 VAL HB 0.000 . 5.500 4.403 3.587 5.025 . 0 0 "[ . 1 . 2]" 1
446 1 71 ALA HA 1 74 VAL H 0.000 . 5.500 3.678 3.523 3.813 . 0 0 "[ . 1 . 2]" 1
447 1 71 ALA HA 1 75 ALA H 0.000 . 5.500 4.047 3.632 4.374 . 0 0 "[ . 1 . 2]" 1
448 1 71 ALA HA 1 92 ILE MG 0.000 . 5.500 4.268 3.872 4.762 . 0 0 "[ . 1 . 2]" 1
449 1 71 ALA HA 1 115 ILE MD 0.000 . 4.500 2.489 1.866 3.078 . 0 0 "[ . 1 . 2]" 1
450 1 70 PHE QD 1 71 ALA MB 0.000 . 4.500 3.774 3.507 3.996 . 0 0 "[ . 1 . 2]" 1
451 1 70 PHE H 1 71 ALA MB 0.000 . 5.500 4.413 4.243 4.492 . 0 0 "[ . 1 . 2]" 1
452 1 71 ALA MB 1 72 SER H 0.000 . 4.500 2.669 2.470 2.822 . 0 0 "[ . 1 . 2]" 1
453 1 71 ALA MB 1 73 SER H 0.000 . 5.500 4.562 4.352 4.807 . 0 0 "[ . 1 . 2]" 1
454 1 71 ALA MB 1 111 PHE QD 0.000 . 4.500 4.128 3.511 4.524 0.024 14 0 "[ . 1 . 2]" 1
455 1 70 PHE H 1 71 ALA H 0.000 . 5.500 2.783 2.624 2.839 . 0 0 "[ . 1 . 2]" 1
456 1 72 SER HA 1 122 PHE HZ 0.000 . 5.500 3.078 2.299 4.340 . 0 0 "[ . 1 . 2]" 1
457 1 69 ALA MB 1 72 SER H 0.000 . 4.500 4.450 4.350 4.523 0.023 7 0 "[ . 1 . 2]" 1
458 1 71 ALA H 1 72 SER H 0.000 . 4.500 2.624 2.563 2.743 . 0 0 "[ . 1 . 2]" 1
459 1 72 SER H 1 73 SER H 0.000 . 4.500 2.626 2.575 2.734 . 0 0 "[ . 1 . 2]" 1
460 1 72 SER H 1 74 VAL H 0.000 . 5.500 4.273 3.922 4.454 . 0 0 "[ . 1 . 2]" 1
461 1 43 ILE MG 1 73 SER HA 0.000 . 5.500 3.528 2.867 3.954 . 0 0 "[ . 1 . 2]" 1
462 1 73 SER HA 1 74 VAL H 0.000 . 3.500 3.560 3.538 3.566 0.066 4 0 "[ . 1 . 2]" 1
463 1 69 ALA MB 1 73 SER HB2 0.000 . 5.500 5.143 4.591 6.340 0.840 7 3 "[ * - + 1 . 2]" 1
464 1 73 SER HB2 1 74 VAL HA 0.000 . 5.500 4.508 4.057 5.628 0.128 18 0 "[ . 1 . 2]" 1
465 1 69 ALA HA 1 73 SER H 0.000 . 5.500 4.116 3.656 4.566 . 0 0 "[ . 1 . 2]" 1
466 1 69 ALA MB 1 73 SER H 0.000 . 5.500 4.435 4.047 4.771 . 0 0 "[ . 1 . 2]" 1
467 1 70 PHE HA 1 73 SER H 0.000 . 5.500 3.538 3.299 3.756 . 0 0 "[ . 1 . 2]" 1
468 1 72 SER HA 1 73 SER H 0.000 . 5.500 3.548 3.516 3.585 . 0 0 "[ . 1 . 2]" 1
469 1 73 SER H 1 77 ILE MD 0.000 . 5.500 5.495 5.388 5.529 0.029 10 0 "[ . 1 . 2]" 1
470 1 22 PHE HZ 1 74 VAL HB 0.000 . 5.500 2.943 1.869 4.743 . 0 0 "[ . 1 . 2]" 1
471 1 74 VAL HB 1 75 ALA H 0.000 . 5.500 3.832 3.708 3.931 . 0 0 "[ . 1 . 2]" 1
472 1 22 PHE QE 1 74 VAL MG1 0.000 . 4.500 2.948 2.001 4.208 . 0 0 "[ . 1 . 2]" 1
473 1 70 PHE QD 1 74 VAL MG1 0.000 . 4.500 3.153 2.589 4.188 . 0 0 "[ . 1 . 2]" 1
474 1 70 PHE QE 1 74 VAL MG1 0.000 . 5.500 2.842 2.319 4.051 . 0 0 "[ . 1 . 2]" 1
475 1 70 PHE HZ 1 74 VAL MG1 0.000 . 5.500 3.415 2.604 4.911 . 0 0 "[ . 1 . 2]" 1
476 1 71 ALA HA 1 74 VAL MG1 0.000 . 4.500 2.706 1.734 3.390 . 0 0 "[ . 1 . 2]" 1
477 1 73 SER H 1 74 VAL MG1 0.000 . 5.500 3.992 3.906 4.146 . 0 0 "[ . 1 . 2]" 1
478 1 74 VAL MG1 1 75 ALA HA 0.000 . 5.500 4.662 2.861 5.443 . 0 0 "[ . 1 . 2]" 1
479 1 74 VAL MG1 1 75 ALA H 0.000 . 5.500 3.234 1.815 3.905 . 0 0 "[ . 1 . 2]" 1
480 1 74 VAL MG1 1 78 ALA H 0.000 . 5.500 5.468 4.794 5.845 0.345 7 0 "[ . 1 . 2]" 1
481 1 74 VAL MG1 1 92 ILE MD 0.000 . 3.500 3.424 2.103 4.415 0.915 1 8 "[+- *.* ** .* *]" 1
482 1 74 VAL MG1 1 92 ILE MG 0.000 . 3.500 3.117 2.169 3.840 0.340 10 0 "[ . 1 . 2]" 1
483 1 70 PHE HA 1 74 VAL H 0.000 . 4.500 3.952 3.443 4.333 . 0 0 "[ . 1 . 2]" 1
484 1 73 SER H 1 74 VAL H 0.000 . 4.500 2.661 2.609 2.705 . 0 0 "[ . 1 . 2]" 1
485 1 74 VAL HB 1 75 ALA HA 0.000 . 5.500 4.902 4.473 5.579 0.079 14 0 "[ . 1 . 2]" 1
486 1 75 ALA HA 1 78 ALA H 0.000 . 5.500 3.814 3.657 3.930 . 0 0 "[ . 1 . 2]" 1
487 1 75 ALA HA 1 122 PHE QE 0.000 . 5.500 4.911 4.358 5.356 . 0 0 "[ . 1 . 2]" 1
488 1 75 ALA MB 1 118 LEU HA 0.000 . 5.500 4.854 4.576 5.324 . 0 0 "[ . 1 . 2]" 1
489 1 75 ALA MB 1 122 PHE QD 0.000 . 3.500 2.376 1.797 2.898 . 0 0 "[ . 1 . 2]" 1
490 1 75 ALA MB 1 122 PHE QE 0.000 . 3.500 2.185 1.787 2.611 . 0 0 "[ . 1 . 2]" 1
491 1 75 ALA MB 1 122 PHE HZ 0.000 . 5.500 3.525 2.972 4.040 . 0 0 "[ . 1 . 2]" 1
492 1 74 VAL HA 1 75 ALA H 0.000 . 5.500 3.540 3.532 3.564 . 0 0 "[ . 1 . 2]" 1
493 1 74 VAL H 1 75 ALA H 0.000 . 5.500 2.696 2.583 2.783 . 0 0 "[ . 1 . 2]" 1
494 1 75 ALA H 1 76 GLN H 0.000 . 4.500 2.631 2.540 2.757 . 0 0 "[ . 1 . 2]" 1
495 1 75 ALA H 1 78 ALA H 0.000 . 5.500 4.969 4.764 5.233 . 0 0 "[ . 1 . 2]" 1
496 1 75 ALA H 1 122 PHE QE 0.000 . 5.500 4.696 4.215 5.225 . 0 0 "[ . 1 . 2]" 1
497 1 77 ILE HB 1 78 ALA H 0.000 . 2.700 2.364 2.230 2.512 . 0 0 "[ . 1 . 2]" 1
498 1 42 LEU H 1 77 ILE MD 0.000 . 4.500 4.525 4.496 4.559 0.059 1 0 "[ . 1 . 2]" 1
499 1 43 ILE H 1 77 ILE MD 0.000 . 5.500 3.694 3.262 4.144 . 0 0 "[ . 1 . 2]" 1
500 1 39 ASN HA 1 77 ILE MG 0.000 . 5.500 4.358 3.824 4.704 . 0 0 "[ . 1 . 2]" 1
501 1 32 PHE QD 1 78 ALA HA 0.000 . 4.500 3.575 3.337 4.163 . 0 0 "[ . 1 . 2]" 1
502 1 32 PHE QE 1 78 ALA HA 0.000 . 3.500 2.151 1.939 3.004 . 0 0 "[ . 1 . 2]" 1
503 1 32 PHE HZ 1 78 ALA HA 0.000 . 4.500 4.002 3.641 4.211 . 0 0 "[ . 1 . 2]" 1
504 1 77 ILE MG 1 78 ALA HA 0.000 . 5.500 3.431 3.231 3.661 . 0 0 "[ . 1 . 2]" 1
505 1 78 ALA HA 1 79 ALA HA 0.000 . 5.500 4.822 4.810 4.842 . 0 0 "[ . 1 . 2]" 1
506 1 78 ALA HA 1 79 ALA H 0.000 . 5.500 3.582 3.560 3.595 . 0 0 "[ . 1 . 2]" 1
507 1 78 ALA HA 1 92 ILE MD 0.000 . 5.500 4.600 4.209 4.967 . 0 0 "[ . 1 . 2]" 1
508 1 32 PHE QD 1 78 ALA MB 0.000 . 4.500 3.787 3.655 3.976 . 0 0 "[ . 1 . 2]" 1
509 1 32 PHE QE 1 78 ALA MB 0.000 . 3.500 1.922 1.819 2.289 . 0 0 "[ . 1 . 2]" 1
510 1 32 PHE HZ 1 78 ALA MB 0.000 . 5.500 1.876 1.830 2.133 . 0 0 "[ . 1 . 2]" 1
511 1 74 VAL HA 1 78 ALA MB 0.000 . 5.500 4.628 3.993 5.171 . 0 0 "[ . 1 . 2]" 1
512 1 32 PHE HZ 1 78 ALA H 0.000 . 5.500 4.074 3.808 4.220 . 0 0 "[ . 1 . 2]" 1
513 1 74 VAL HA 1 78 ALA H 0.000 . 4.500 4.061 3.753 4.401 . 0 0 "[ . 1 . 2]" 1
514 1 77 ILE MG 1 78 ALA H 0.000 . 5.500 3.234 3.011 3.346 . 0 0 "[ . 1 . 2]" 1
515 1 78 ALA H 1 79 ALA H 0.000 . 3.000 2.623 2.551 2.744 . 0 0 "[ . 1 . 2]" 1
516 1 78 ALA H 1 81 GLN H 0.000 . 5.000 4.837 4.732 5.001 0.001 13 0 "[ . 1 . 2]" 1
517 1 77 ILE HA 1 78 ALA H 0.000 . 3.500 3.562 3.555 3.568 0.068 8 0 "[ . 1 . 2]" 1
518 1 77 ILE MD 1 78 ALA H 0.000 . 4.500 4.225 4.014 4.466 . 0 0 "[ . 1 . 2]" 1
519 1 77 ILE QG 1 78 ALA H 0.000 . 4.500 3.963 3.861 4.037 . 0 0 "[ . 1 . 2]" 1
520 1 78 ALA H 1 79 ALA HA 0.000 . 5.500 5.269 5.212 5.370 . 0 0 "[ . 1 . 2]" 1
521 1 79 ALA HA 1 80 SER H 0.000 . 5.500 3.480 3.463 3.513 . 0 0 "[ . 1 . 2]" 1
522 1 79 ALA MB 1 80 SER HA 0.000 . 5.500 3.896 3.830 3.945 . 0 0 "[ . 1 . 2]" 1
523 1 79 ALA MB 1 80 SER H 0.000 . 4.500 2.854 2.714 2.914 . 0 0 "[ . 1 . 2]" 1
524 1 79 ALA MB 1 119 ILE HA 0.000 . 5.500 3.140 2.663 3.905 . 0 0 "[ . 1 . 2]" 1
525 1 79 ALA MB 1 122 PHE HB3 0.000 . 4.500 2.535 2.004 3.451 . 0 0 "[ . 1 . 2]" 1
526 1 79 ALA MB 1 122 PHE HB2 0.000 . 4.500 2.284 1.788 3.122 . 0 0 "[ . 1 . 2]" 1
527 1 32 PHE HZ 1 79 ALA H 0.000 . 5.500 5.468 5.305 5.519 0.019 6 0 "[ . 1 . 2]" 1
528 1 79 ALA H 1 119 ILE MG 0.000 . 4.500 3.559 3.339 3.736 . 0 0 "[ . 1 . 2]" 1
529 1 79 ALA H 1 85 LEU QD 0.000 . 4.500 4.010 2.984 4.447 . 0 0 "[ . 1 . 2]" 1
530 1 78 ALA H 1 80 SER H 0.000 . 5.500 3.775 3.670 3.980 . 0 0 "[ . 1 . 2]" 1
531 1 79 ALA H 1 80 SER H 0.000 . 3.500 2.696 2.681 2.711 . 0 0 "[ . 1 . 2]" 1
532 1 77 ILE HA 1 80 SER H 0.000 . 4.500 3.931 3.643 4.103 . 0 0 "[ . 1 . 2]" 1
533 1 78 ALA MB 1 80 SER H 0.000 . 4.500 4.170 4.104 4.318 . 0 0 "[ . 1 . 2]" 1
534 1 80 SER HA 1 81 GLN H 0.000 . 3.500 3.455 3.423 3.470 . 0 0 "[ . 1 . 2]" 1
535 1 82 GLY HA3 1 83 GLY H 0.000 . 5.500 3.405 3.334 3.467 . 0 0 "[ . 1 . 2]" 1
536 1 81 GLN HA 1 82 GLY HA2 0.000 . 5.500 5.206 4.419 5.316 . 0 0 "[ . 1 . 2]" 1
537 1 82 GLY HA2 1 83 GLY H 0.000 . 4.500 3.073 2.223 3.264 . 0 0 "[ . 1 . 2]" 1
538 1 80 SER HA 1 82 GLY H 0.000 . 5.500 3.924 3.537 5.536 0.036 4 0 "[ . 1 . 2]" 1
539 1 81 GLN H 1 82 GLY H 0.000 . 5.500 2.955 2.723 4.416 . 0 0 "[ . 1 . 2]" 1
540 1 82 GLY H 1 83 GLY H 0.000 . 3.500 2.515 2.292 3.512 0.012 1 0 "[ . 1 . 2]" 1
541 1 81 GLN HA 1 82 GLY QA 0.000 . 4.500 4.285 3.963 4.342 . 0 0 "[ . 1 . 2]" 1
542 1 82 GLY QA 1 85 LEU QD 0.000 . 5.500 4.905 3.661 5.500 . 0 0 "[ . 1 . 2]" 1
543 1 81 GLN HA 1 82 GLY H 0.000 . 3.500 3.394 2.171 3.547 0.047 3 0 "[ . 1 . 2]" 1
544 1 81 GLN QG 1 82 GLY H 0.000 . 4.500 4.054 3.783 4.567 0.067 1 0 "[ . 1 . 2]" 1
545 1 82 GLY H 1 85 LEU QD 0.000 . 5.500 4.795 3.664 5.503 0.003 4 0 "[ . 1 . 2]" 1
546 1 82 GLY H 1 83 GLY HA3 0.000 . 5.500 4.885 4.723 5.599 0.099 1 0 "[ . 1 . 2]" 1
547 1 83 GLY HA2 1 84 ASP HA 0.000 . 5.500 4.432 4.371 4.817 . 0 0 "[ . 1 . 2]" 1
548 1 83 GLY HA2 1 84 ASP H 0.000 . 3.500 2.945 2.662 3.561 0.061 4 0 "[ . 1 . 2]" 1
549 1 83 GLY H 1 84 ASP HA 0.000 . 5.500 5.473 5.391 5.514 0.014 12 0 "[ . 1 . 2]" 1
550 1 84 ASP HA 1 85 LEU H 0.000 . 3.500 2.224 2.189 2.375 . 0 0 "[ . 1 . 2]" 1
551 1 84 ASP HA 1 86 GLY H 0.000 . 4.500 3.489 3.188 3.745 . 0 0 "[ . 1 . 2]" 1
552 1 84 ASP HB3 1 85 LEU H 0.000 . 5.500 4.010 3.180 4.411 . 0 0 "[ . 1 . 2]" 1
553 1 84 ASP HB3 1 87 VAL HB 0.000 . 5.500 3.285 2.172 4.353 . 0 0 "[ . 1 . 2]" 1
554 1 84 ASP HB3 1 87 VAL H 0.000 . 5.500 2.913 2.657 3.285 . 0 0 "[ . 1 . 2]" 1
555 1 83 GLY HA2 1 84 ASP HB2 0.000 . 5.500 5.075 4.709 5.876 0.376 4 0 "[ . 1 . 2]" 1
556 1 84 ASP HB2 1 85 LEU H 0.000 . 5.500 4.464 4.189 4.593 . 0 0 "[ . 1 . 2]" 1
557 1 84 ASP HB2 1 87 VAL HB 0.000 . 5.500 4.076 2.705 5.495 . 0 0 "[ . 1 . 2]" 1
558 1 84 ASP HB2 1 87 VAL H 0.000 . 5.500 4.084 3.139 4.741 . 0 0 "[ . 1 . 2]" 1
559 1 83 GLY H 1 84 ASP H 0.000 . 5.500 4.157 2.768 4.492 . 0 0 "[ . 1 . 2]" 1
560 1 84 ASP H 1 85 LEU H 0.000 . 5.500 4.426 3.823 4.633 . 0 0 "[ . 1 . 2]" 1
561 1 85 LEU HB3 1 86 GLY H 0.000 . 5.500 3.248 2.930 3.845 . 0 0 "[ . 1 . 2]" 1
562 1 85 LEU QD 1 120 GLY HA3 0.000 . 4.500 3.269 2.574 4.043 . 0 0 "[ . 1 . 2]" 1
563 1 85 LEU QD 1 120 GLY HA2 0.000 . 4.500 2.025 1.686 2.720 . 0 0 "[ . 1 . 2]" 1
564 1 85 LEU QD 1 123 ALA HA 0.000 . 5.500 3.236 2.389 4.030 . 0 0 "[ . 1 . 2]" 1
565 1 85 LEU QD 1 123 ALA MB 0.000 . 2.700 1.780 1.550 2.122 . 0 0 "[ . 1 . 2]" 1
566 1 85 LEU QD 1 123 ALA H 0.000 . 5.500 2.764 2.246 3.031 . 0 0 "[ . 1 . 2]" 1
567 1 86 GLY HA3 1 87 VAL QG 0.000 . 5.500 4.465 3.973 4.715 . 0 0 "[ . 1 . 2]" 1
568 1 86 GLY HA3 1 87 VAL H 0.000 . 4.500 2.895 2.753 3.016 . 0 0 "[ . 1 . 2]" 1
569 1 86 GLY HA2 1 87 VAL QG 0.000 . 5.500 4.845 4.750 4.930 . 0 0 "[ . 1 . 2]" 1
570 1 86 GLY HA2 1 87 VAL H 0.000 . 5.500 3.545 3.503 3.573 . 0 0 "[ . 1 . 2]" 1
571 1 85 LEU HA 1 86 GLY H 0.000 . 5.500 3.448 3.372 3.494 . 0 0 "[ . 1 . 2]" 1
572 1 86 GLY H 1 87 VAL HB 0.000 . 5.500 4.874 4.680 5.192 . 0 0 "[ . 1 . 2]" 1
573 1 87 VAL HA 1 88 THR H 0.000 . 5.500 3.573 3.547 3.594 . 0 0 "[ . 1 . 2]" 1
574 1 87 VAL HA 1 90 ASN H 0.000 . 4.500 3.231 3.135 3.445 . 0 0 "[ . 1 . 2]" 1
575 1 87 VAL HA 1 91 ALA MB 0.000 . 5.500 4.578 4.163 4.885 . 0 0 "[ . 1 . 2]" 1
576 1 87 VAL HA 1 91 ALA H 0.000 . 4.500 4.031 3.807 4.283 . 0 0 "[ . 1 . 2]" 1
577 1 84 ASP HA 1 87 VAL QG 0.000 . 5.500 4.600 4.274 5.320 . 0 0 "[ . 1 . 2]" 1
578 1 84 ASP HB3 1 87 VAL QG 0.000 . 5.500 2.925 2.299 3.685 . 0 0 "[ . 1 . 2]" 1
579 1 84 ASP HB2 1 87 VAL QG 0.000 . 4.500 3.528 1.962 4.360 . 0 0 "[ . 1 . 2]" 1
580 1 86 GLY H 1 87 VAL QG 0.000 . 5.500 4.083 3.822 4.434 . 0 0 "[ . 1 . 2]" 1
581 1 87 VAL QG 1 88 THR H 0.000 . 4.500 2.067 1.742 3.116 . 0 0 "[ . 1 . 2]" 1
582 1 87 VAL QG 1 91 ALA MB 0.000 . 4.500 2.769 2.378 2.990 . 0 0 "[ . 1 . 2]" 1
583 1 31 SER HA 1 87 VAL QG 0.000 . 5.500 4.713 4.033 5.122 . 0 0 "[ . 1 . 2]" 1
584 1 87 VAL QG 1 90 ASN H 0.000 . 5.500 3.915 3.697 4.246 . 0 0 "[ . 1 . 2]" 1
585 1 87 VAL QG 1 91 ALA H 0.000 . 3.500 3.316 3.219 3.458 . 0 0 "[ . 1 . 2]" 1
586 1 85 LEU HA 1 87 VAL H 0.000 . 5.500 4.091 3.931 4.329 . 0 0 "[ . 1 . 2]" 1
587 1 86 GLY H 1 87 VAL H 0.000 . 4.500 2.662 2.531 2.846 . 0 0 "[ . 1 . 2]" 1
588 1 32 PHE QD 1 88 THR HA 0.000 . 5.500 5.407 5.034 5.554 0.054 5 0 "[ . 1 . 2]" 1
589 1 32 PHE QE 1 88 THR HA 0.000 . 5.500 4.161 3.840 4.384 . 0 0 "[ . 1 . 2]" 1
590 1 32 PHE HZ 1 88 THR HA 0.000 . 4.500 4.211 3.900 4.536 0.036 1 0 "[ . 1 . 2]" 1
591 1 88 THR HB 1 89 THR H 0.000 . 5.500 2.689 2.381 2.811 . 0 0 "[ . 1 . 2]" 1
592 1 88 THR HB 1 91 ALA MB 0.000 . 5.500 4.668 4.561 4.837 . 0 0 "[ . 1 . 2]" 1
593 1 77 ILE HB 1 88 THR MG 0.000 . 5.500 5.493 5.344 5.539 0.039 11 0 "[ . 1 . 2]" 1
594 1 78 ALA HA 1 88 THR MG 0.000 . 4.500 3.851 3.699 4.013 . 0 0 "[ . 1 . 2]" 1
595 1 78 ALA MB 1 88 THR MG 0.000 . 3.500 1.597 1.558 1.643 . 0 0 "[ . 1 . 2]" 1
596 1 79 ALA HA 1 88 THR MG 0.000 . 5.500 3.960 3.105 4.646 . 0 0 "[ . 1 . 2]" 1
597 1 88 THR MG 1 90 ASN H 0.000 . 5.500 4.985 4.797 5.207 . 0 0 "[ . 1 . 2]" 1
598 1 88 THR MG 1 92 ILE MD 0.000 . 3.000 1.836 1.654 2.653 . 0 0 "[ . 1 . 2]" 1
599 1 88 THR MG 1 92 ILE H 0.000 . 5.500 3.030 2.918 3.152 . 0 0 "[ . 1 . 2]" 1
600 1 88 THR MG 1 93 ALA H 0.000 . 4.500 4.531 4.508 4.557 0.057 13 0 "[ . 1 . 2]" 1
601 1 85 LEU HA 1 88 THR H 0.000 . 5.500 3.300 3.066 3.518 . 0 0 "[ . 1 . 2]" 1
602 1 86 GLY H 1 88 THR H 0.000 . 5.500 4.268 4.113 4.450 . 0 0 "[ . 1 . 2]" 1
603 1 87 VAL H 1 88 THR H 0.000 . 3.500 2.660 2.587 2.712 . 0 0 "[ . 1 . 2]" 1
604 1 85 LEU HA 1 89 THR H 0.000 . 5.500 4.593 3.939 5.260 . 0 0 "[ . 1 . 2]" 1
605 1 85 LEU HG 1 89 THR H 0.000 . 5.000 4.663 3.985 5.015 0.015 20 0 "[ . 1 . 2]" 1
606 1 87 VAL HB 1 89 THR H 0.000 . 5.500 5.445 5.054 5.544 0.044 5 0 "[ . 1 . 2]" 1
607 1 87 VAL H 1 89 THR H 0.000 . 5.500 4.103 3.955 4.326 . 0 0 "[ . 1 . 2]" 1
608 1 88 THR HA 1 89 THR H 0.000 . 3.500 3.530 3.509 3.568 0.068 19 0 "[ . 1 . 2]" 1
609 1 88 THR MG 1 89 THR H 0.000 . 5.500 3.430 3.081 3.668 . 0 0 "[ . 1 . 2]" 1
610 1 88 THR H 1 89 THR H 0.000 . 3.500 2.773 2.693 2.894 . 0 0 "[ . 1 . 2]" 1
611 1 89 THR H 1 90 ASN H 0.000 . 3.000 2.792 2.729 2.880 . 0 0 "[ . 1 . 2]" 1
612 1 89 THR H 1 119 ILE MG 0.000 . 5.500 3.951 3.515 4.275 . 0 0 "[ . 1 . 2]" 1
613 1 89 THR HA 1 90 ASN HA 0.000 . 5.500 4.749 4.742 4.759 . 0 0 "[ . 1 . 2]" 1
614 1 90 ASN HA 1 91 ALA H 0.000 . 5.500 3.542 3.523 3.553 . 0 0 "[ . 1 . 2]" 1
615 1 90 ASN HA 1 93 ALA H 0.000 . 4.500 3.866 3.659 4.099 . 0 0 "[ . 1 . 2]" 1
616 1 90 ASN HA 1 112 ILE MG 0.000 . 5.500 5.249 5.067 5.472 . 0 0 "[ . 1 . 2]" 1
617 1 90 ASN HB2 1 91 ALA H 0.000 . 5.500 2.819 2.564 3.921 . 0 0 "[ . 1 . 2]" 1
618 1 90 ASN H 1 91 ALA H 0.000 . 4.500 2.541 2.513 2.572 . 0 0 "[ . 1 . 2]" 1
619 1 26 ALA HA 1 91 ALA HA 0.000 . 5.500 3.563 3.250 3.869 . 0 0 "[ . 1 . 2]" 1
620 1 29 THR MG 1 91 ALA HA 0.000 . 2.700 1.809 1.786 1.836 . 0 0 "[ . 1 . 2]" 1
621 1 30 GLY H 1 91 ALA HA 0.000 . 5.500 2.568 2.332 2.828 . 0 0 "[ . 1 . 2]" 1
622 1 32 PHE QE 1 91 ALA HA 0.000 . 5.500 4.134 3.909 4.444 . 0 0 "[ . 1 . 2]" 1
623 1 91 ALA HA 1 92 ILE H 0.000 . 5.500 3.581 3.575 3.586 . 0 0 "[ . 1 . 2]" 1
624 1 31 SER HA 1 91 ALA MB 0.000 . 5.500 5.411 5.264 5.507 0.007 17 0 "[ . 1 . 2]" 1
625 1 32 PHE QD 1 91 ALA MB 0.000 . 3.500 2.861 2.520 3.182 . 0 0 "[ . 1 . 2]" 1
626 1 32 PHE HZ 1 91 ALA MB 0.000 . 3.500 3.351 3.131 3.510 0.010 6 0 "[ . 1 . 2]" 1
627 1 90 ASN H 1 91 ALA MB 0.000 . 5.500 4.196 4.125 4.264 . 0 0 "[ . 1 . 2]" 1
628 1 91 ALA MB 1 92 ILE H 0.000 . 3.500 2.223 2.093 2.369 . 0 0 "[ . 1 . 2]" 1
629 1 91 ALA MB 1 95 ALA H 0.000 . 5.500 4.873 4.646 5.096 . 0 0 "[ . 1 . 2]" 1
630 1 22 PHE HZ 1 92 ILE HA 0.000 . 5.500 2.352 1.907 2.870 . 0 0 "[ . 1 . 2]" 1
631 1 22 PHE HZ 1 92 ILE MD 0.000 . 3.500 2.968 1.712 3.302 . 0 0 "[ . 1 . 2]" 1
632 1 32 PHE HZ 1 92 ILE MD 0.000 . 4.500 2.801 1.788 3.246 . 0 0 "[ . 1 . 2]" 1
633 1 75 ALA HA 1 92 ILE MD 0.000 . 4.500 2.443 1.973 3.922 . 0 0 "[ . 1 . 2]" 1
634 1 22 PHE QE 1 92 ILE MG 0.000 . 4.500 1.821 1.723 1.927 . 0 0 "[ . 1 . 2]" 1
635 1 22 PHE HZ 1 92 ILE MG 0.000 . 4.500 1.854 1.778 2.092 . 0 0 "[ . 1 . 2]" 1
636 1 92 ILE MG 1 95 ALA H 0.000 . 5.500 4.809 4.656 5.028 . 0 0 "[ . 1 . 2]" 1
637 1 32 PHE HZ 1 92 ILE H 0.000 . 5.500 4.250 4.021 4.465 . 0 0 "[ . 1 . 2]" 1
638 1 91 ALA H 1 92 ILE H 0.000 . 4.500 2.810 2.708 2.889 . 0 0 "[ . 1 . 2]" 1
639 1 92 ILE H 1 93 ALA H 0.000 . 3.000 2.706 2.584 2.777 . 0 0 "[ . 1 . 2]" 1
640 1 92 ILE H 1 93 ALA MB 0.000 . 5.500 4.380 4.310 4.445 . 0 0 "[ . 1 . 2]" 1
641 1 91 ALA H 1 93 ALA H 0.000 . 4.500 4.074 3.913 4.230 . 0 0 "[ . 1 . 2]" 1
642 1 93 ALA HA 1 112 ILE HB 0.000 . 5.500 4.529 4.248 4.753 . 0 0 "[ . 1 . 2]" 1
643 1 93 ALA HA 1 112 ILE MD 0.000 . 3.500 2.039 1.840 2.393 . 0 0 "[ . 1 . 2]" 1
644 1 93 ALA HA 1 112 ILE QG 0.000 . 3.500 2.652 2.042 2.936 . 0 0 "[ . 1 . 2]" 1
645 1 93 ALA HA 1 112 ILE MG 0.000 . 3.000 2.063 1.851 2.638 . 0 0 "[ . 1 . 2]" 1
646 1 93 ALA HA 1 96 LEU QD 0.000 . 4.500 2.664 1.830 4.038 . 0 0 "[ . 1 . 2]" 1
647 1 93 ALA HA 1 96 LEU H 0.000 . 3.500 3.419 3.235 3.519 0.019 2 0 "[ . 1 . 2]" 1
648 1 93 ALA H 1 115 ILE MG 0.000 . 5.000 4.900 4.641 5.005 0.005 15 0 "[ . 1 . 2]" 1
649 1 93 ALA H 1 119 ILE MD 0.000 . 5.000 4.130 3.680 4.537 . 0 0 "[ . 1 . 2]" 1
650 1 88 THR HA 1 93 ALA H 0.000 . 5.500 5.488 5.365 5.538 0.038 11 0 "[ . 1 . 2]" 1
651 1 91 ALA HA 1 93 ALA H 0.000 . 5.500 4.828 4.656 5.050 . 0 0 "[ . 1 . 2]" 1
652 1 92 ILE HA 1 93 ALA H 0.000 . 4.500 3.572 3.555 3.586 . 0 0 "[ . 1 . 2]" 1
653 1 92 ILE MD 1 93 ALA H 0.000 . 5.000 4.479 4.332 4.663 . 0 0 "[ . 1 . 2]" 1
654 1 93 ALA H 1 94 ASP QB 0.000 . 5.000 4.633 4.423 4.755 . 0 0 "[ . 1 . 2]" 1
655 1 25 ALA MB 1 94 ASP HA 0.000 . 5.500 5.494 5.378 5.541 0.041 8 0 "[ . 1 . 2]" 1
656 1 93 ALA MB 1 94 ASP HA 0.000 . 4.500 3.788 3.770 3.816 . 0 0 "[ . 1 . 2]" 1
657 1 94 ASP HA 1 95 ALA HA 0.000 . 5.500 4.795 4.735 4.846 . 0 0 "[ . 1 . 2]" 1
658 1 94 ASP HA 1 95 ALA H 0.000 . 4.500 3.575 3.532 3.589 . 0 0 "[ . 1 . 2]" 1
659 1 94 ASP HA 1 96 LEU H 0.000 . 4.500 4.452 4.346 4.524 0.024 20 0 "[ . 1 . 2]" 1
660 1 94 ASP HA 1 98 SER H 0.000 . 5.500 3.843 3.653 4.221 . 0 0 "[ . 1 . 2]" 1
661 1 29 THR MG 1 94 ASP HB3 0.000 . 5.500 2.001 1.735 2.245 . 0 0 "[ . 1 . 2]" 1
662 1 25 ALA MB 1 94 ASP HB2 0.000 . 5.500 5.182 4.687 5.797 0.297 5 0 "[ . 1 . 2]" 1
663 1 29 THR MG 1 94 ASP HB2 0.000 . 4.500 1.858 1.724 2.178 . 0 0 "[ . 1 . 2]" 1
664 1 94 ASP HB2 1 95 ALA HA 0.000 . 5.500 4.870 4.387 5.597 0.097 13 0 "[ . 1 . 2]" 1
665 1 94 ASP HB2 1 95 ALA H 0.000 . 4.500 2.931 2.455 3.702 . 0 0 "[ . 1 . 2]" 1
666 1 91 ALA H 1 94 ASP H 0.000 . 4.500 4.461 4.405 4.515 0.015 8 0 "[ . 1 . 2]" 1
667 1 93 ALA H 1 94 ASP H 0.000 . 3.000 2.812 2.657 2.940 . 0 0 "[ . 1 . 2]" 1
668 1 94 ASP H 1 95 ALA H 0.000 . 3.500 2.869 2.710 2.946 . 0 0 "[ . 1 . 2]" 1
669 1 22 PHE HA 1 95 ALA MB 0.000 . 5.500 1.938 1.798 2.399 . 0 0 "[ . 1 . 2]" 1
670 1 22 PHE QE 1 95 ALA MB 0.000 . 3.500 2.992 2.581 3.335 . 0 0 "[ . 1 . 2]" 1
671 1 22 PHE HZ 1 95 ALA MB 0.000 . 5.500 3.776 3.448 4.372 . 0 0 "[ . 1 . 2]" 1
672 1 26 ALA H 1 95 ALA MB 0.000 . 4.500 2.024 1.822 2.222 . 0 0 "[ . 1 . 2]" 1
673 1 27 SER H 1 95 ALA MB 0.000 . 5.500 4.167 4.029 4.435 . 0 0 "[ . 1 . 2]" 1
674 1 92 ILE HA 1 95 ALA MB 0.000 . 5.500 2.952 2.590 3.392 . 0 0 "[ . 1 . 2]" 1
675 1 92 ILE HA 1 95 ALA H 0.000 . 5.500 3.749 3.615 3.962 . 0 0 "[ . 1 . 2]" 1
676 1 96 LEU HA 1 112 ILE MD 0.000 . 5.500 4.228 4.067 4.495 . 0 0 "[ . 1 . 2]" 1
677 1 18 PHE QD 1 96 LEU HA 0.000 . 5.500 4.709 4.383 5.054 . 0 0 "[ . 1 . 2]" 1
678 1 18 PHE QE 1 96 LEU HA 0.000 . 5.500 3.270 2.737 3.805 . 0 0 "[ . 1 . 2]" 1
679 1 22 PHE QE 1 96 LEU HA 0.000 . 5.500 4.128 3.182 4.994 . 0 0 "[ . 1 . 2]" 1
680 1 96 LEU HA 1 97 THR H 0.000 . 5.500 3.543 3.505 3.561 . 0 0 "[ . 1 . 2]" 1
681 1 96 LEU HA 1 99 ALA HA 0.000 . 5.500 5.417 5.250 5.516 0.016 5 0 "[ . 1 . 2]" 1
682 1 96 LEU HA 1 99 ALA H 0.000 . 4.500 3.615 3.468 3.809 . 0 0 "[ . 1 . 2]" 1
683 1 96 LEU HA 1 100 PHE QD 0.000 . 5.500 4.269 3.916 4.885 . 0 0 "[ . 1 . 2]" 1
684 1 96 LEU HA 1 100 PHE H 0.000 . 5.500 3.960 3.665 4.385 . 0 0 "[ . 1 . 2]" 1
685 1 96 LEU HA 1 111 PHE QD 0.000 . 5.500 5.191 4.574 5.533 0.033 20 0 "[ . 1 . 2]" 1
686 1 18 PHE QD 1 96 LEU QD 0.000 . 4.500 3.839 3.464 4.127 . 0 0 "[ . 1 . 2]" 1
687 1 18 PHE QE 1 96 LEU QD 0.000 . 5.500 2.183 1.762 2.626 . 0 0 "[ . 1 . 2]" 1
688 1 18 PHE HZ 1 96 LEU QD 0.000 . 3.500 1.911 1.596 2.240 . 0 0 "[ . 1 . 2]" 1
689 1 22 PHE HA 1 96 LEU QD 0.000 . 5.500 4.440 3.776 5.075 . 0 0 "[ . 1 . 2]" 1
690 1 22 PHE HB3 1 96 LEU QD 0.000 . 5.500 4.283 3.600 4.850 . 0 0 "[ . 1 . 2]" 1
691 1 22 PHE QD 1 96 LEU QD 0.000 . 3.500 1.974 1.732 2.597 . 0 0 "[ . 1 . 2]" 1
692 1 22 PHE QE 1 96 LEU QD 0.000 . 4.500 1.988 1.751 2.617 . 0 0 "[ . 1 . 2]" 1
693 1 70 PHE QD 1 96 LEU QD 0.000 . 4.500 3.165 2.790 3.737 . 0 0 "[ . 1 . 2]" 1
694 1 70 PHE QE 1 96 LEU QD 0.000 . 4.500 2.319 1.919 2.715 . 0 0 "[ . 1 . 2]" 1
695 1 92 ILE MG 1 96 LEU QD 0.000 . 4.500 2.169 1.659 3.169 . 0 0 "[ . 1 . 2]" 1
696 1 93 ALA MB 1 96 LEU QD 0.000 . 5.500 3.835 3.268 4.740 . 0 0 "[ . 1 . 2]" 1
697 1 95 ALA H 1 96 LEU QD 0.000 . 5.500 4.749 4.259 5.266 . 0 0 "[ . 1 . 2]" 1
698 1 96 LEU QD 1 97 THR H 0.000 . 5.500 3.871 3.483 4.172 . 0 0 "[ . 1 . 2]" 1
699 1 96 LEU QD 1 100 PHE QD 0.000 . 5.500 3.623 1.958 4.561 . 0 0 "[ . 1 . 2]" 1
700 1 96 LEU QD 1 100 PHE QE 0.000 . 4.500 3.044 1.764 4.023 . 0 0 "[ . 1 . 2]" 1
701 1 96 LEU QD 1 111 PHE QD 0.000 . 4.500 2.248 1.602 2.804 . 0 0 "[ . 1 . 2]" 1
702 1 96 LEU QD 1 112 ILE HA 0.000 . 5.500 2.764 2.072 3.924 . 0 0 "[ . 1 . 2]" 1
703 1 96 LEU QD 1 112 ILE H 0.000 . 5.500 3.632 2.462 4.264 . 0 0 "[ . 1 . 2]" 1
704 1 115 ILE MG 1 116 ARG H 0.000 . 3.500 3.476 3.401 3.516 0.016 14 0 "[ . 1 . 2]" 1
705 1 22 PHE HB2 1 96 LEU H 0.000 . 5.500 5.084 4.709 5.482 . 0 0 "[ . 1 . 2]" 1
706 1 22 PHE QD 1 96 LEU H 0.000 . 5.500 3.132 2.628 3.460 . 0 0 "[ . 1 . 2]" 1
707 1 22 PHE QE 1 96 LEU H 0.000 . 5.500 3.194 2.726 3.465 . 0 0 "[ . 1 . 2]" 1
708 1 92 ILE HA 1 96 LEU H 0.000 . 5.500 4.143 3.924 4.392 . 0 0 "[ . 1 . 2]" 1
709 1 95 ALA H 1 96 LEU H 0.000 . 3.500 2.688 2.503 2.828 . 0 0 "[ . 1 . 2]" 1
710 1 96 LEU H 1 97 THR H 0.000 . 5.500 2.582 2.523 2.624 . 0 0 "[ . 1 . 2]" 1
711 1 97 THR HA 1 112 ILE MG 0.000 . 5.500 5.380 5.139 5.521 0.021 5 0 "[ . 1 . 2]" 1
712 1 97 THR HB 1 100 PHE QD 0.000 . 5.500 5.472 5.345 5.533 0.033 8 0 "[ . 1 . 2]" 1
713 1 97 THR HB 1 101 TYR QE 0.000 . 4.500 4.170 4.039 4.533 0.033 18 0 "[ . 1 . 2]" 1
714 1 97 THR HB 1 112 ILE MG 0.000 . 5.500 5.512 5.488 5.538 0.038 12 0 "[ . 1 . 2]" 1
715 1 97 THR MG 1 101 TYR QE 0.000 . 2.700 1.801 1.749 1.905 . 0 0 "[ . 1 . 2]" 1
716 1 97 THR H 1 98 SER H 0.000 . 4.500 2.799 2.712 2.894 . 0 0 "[ . 1 . 2]" 1
717 1 97 THR H 1 112 ILE MG 0.000 . 5.500 4.576 4.309 4.861 . 0 0 "[ . 1 . 2]" 1
718 1 97 THR HB 1 98 SER HA 0.000 . 4.500 4.328 4.220 4.440 . 0 0 "[ . 1 . 2]" 1
719 1 97 THR MG 1 98 SER HA 0.000 . 5.500 3.462 3.256 3.607 . 0 0 "[ . 1 . 2]" 1
720 1 98 SER HA 1 99 ALA H 0.000 . 5.500 3.548 3.522 3.576 . 0 0 "[ . 1 . 2]" 1
721 1 98 SER HA 1 101 TYR HB2 0.000 . 4.500 3.737 3.475 3.890 . 0 0 "[ . 1 . 2]" 1
722 1 98 SER HA 1 101 TYR QD 0.000 . 3.500 2.596 2.370 2.791 . 0 0 "[ . 1 . 2]" 1
723 1 98 SER HA 1 101 TYR QE 0.000 . 4.500 3.725 3.387 4.115 . 0 0 "[ . 1 . 2]" 1
724 1 98 SER HA 1 101 TYR H 0.000 . 5.500 3.782 3.556 3.965 . 0 0 "[ . 1 . 2]" 1
725 1 98 SER HA 1 102 GLN H 0.000 . 5.500 4.125 3.851 4.320 . 0 0 "[ . 1 . 2]" 1
726 1 97 THR HA 1 98 SER H 0.000 . 5.500 3.584 3.572 3.589 . 0 0 "[ . 1 . 2]" 1
727 1 98 SER H 1 99 ALA MB 0.000 . 4.500 4.375 4.281 4.460 . 0 0 "[ . 1 . 2]" 1
728 1 98 SER H 1 99 ALA H 0.000 . 4.500 2.710 2.637 2.806 . 0 0 "[ . 1 . 2]" 1
729 1 98 SER H 1 101 TYR QE 0.000 . 5.500 4.717 4.438 4.960 . 0 0 "[ . 1 . 2]" 1
730 1 23 ILE H 1 99 ALA MB 0.000 . 5.500 5.399 5.190 5.520 0.020 7 0 "[ . 1 . 2]" 1
731 1 99 ALA H 1 100 PHE H 0.000 . 5.500 2.730 2.621 2.870 . 0 0 "[ . 1 . 2]" 1
732 1 18 PHE QE 1 100 PHE HA 0.000 . 5.500 2.920 2.168 3.223 . 0 0 "[ . 1 . 2]" 1
733 1 100 PHE QD 1 108 ASN QB 0.000 . 3.500 2.281 2.172 2.455 . 0 0 "[ . 1 . 2]" 1
734 1 18 PHE QE 1 100 PHE QD 0.000 . 5.500 3.159 2.437 3.925 . 0 0 "[ . 1 . 2]" 1
735 1 99 ALA H 1 100 PHE QD 0.000 . 5.500 5.057 4.780 5.511 0.011 10 0 "[ . 1 . 2]" 1
736 1 100 PHE QD 1 112 ILE HB 0.000 . 5.500 5.518 5.481 5.538 0.038 10 0 "[ . 1 . 2]" 1
737 1 100 PHE QD 1 112 ILE MD 0.000 . 3.500 3.359 3.161 3.517 0.017 5 0 "[ . 1 . 2]" 1
738 1 7 THR HB 1 100 PHE QE 0.000 . 5.500 4.804 3.510 5.510 0.010 7 0 "[ . 1 . 2]" 1
739 1 9 TRP HH2 1 100 PHE QE 0.000 . 5.500 2.433 2.168 2.822 . 0 0 "[ . 1 . 2]" 1
740 1 9 TRP HZ2 1 100 PHE QE 0.000 . 4.500 4.516 4.497 4.531 0.031 12 0 "[ . 1 . 2]" 1
741 1 9 TRP HZ3 1 100 PHE QE 0.000 . 5.500 2.365 1.981 2.861 . 0 0 "[ . 1 . 2]" 1
742 1 18 PHE QD 1 100 PHE QE 0.000 . 5.500 5.277 4.879 5.549 0.049 14 0 "[ . 1 . 2]" 1
743 1 18 PHE QE 1 100 PHE QE 0.000 . 5.500 3.802 3.198 4.491 . 0 0 "[ . 1 . 2]" 1
744 1 18 PHE HZ 1 100 PHE QE 0.000 . 4.500 3.551 2.816 4.286 . 0 0 "[ . 1 . 2]" 1
745 1 97 THR HA 1 100 PHE QE 0.000 . 5.500 4.696 4.556 4.823 . 0 0 "[ . 1 . 2]" 1
746 1 100 PHE QE 1 104 THR MG 0.000 . 5.500 4.803 3.583 5.362 . 0 0 "[ . 1 . 2]" 1
747 1 100 PHE QE 1 108 ASN HA 0.000 . 5.500 2.480 2.289 2.642 . 0 0 "[ . 1 . 2]" 1
748 1 100 PHE QE 1 109 SER H 0.000 . 5.500 5.513 5.330 5.555 0.055 4 0 "[ . 1 . 2]" 1
749 1 100 PHE QE 1 112 ILE HA 0.000 . 5.500 4.746 4.495 5.073 . 0 0 "[ . 1 . 2]" 1
750 1 100 PHE QE 1 112 ILE HB 0.000 . 5.500 4.761 4.644 4.911 . 0 0 "[ . 1 . 2]" 1
751 1 100 PHE QE 1 112 ILE HG12 0.000 . 5.500 3.907 3.586 4.642 . 0 0 "[ . 1 . 2]" 1
752 1 100 PHE QD 1 101 TYR QD 0.000 . 5.500 4.796 4.668 4.939 . 0 0 "[ . 1 . 2]" 1
753 1 101 TYR HA 1 104 THR H 0.000 . 5.500 4.096 3.908 4.248 . 0 0 "[ . 1 . 2]" 1
754 1 101 TYR HA 1 105 GLY HA3 0.000 . 5.500 3.202 3.003 3.343 . 0 0 "[ . 1 . 2]" 1
755 1 101 TYR HA 1 106 VAL H 0.000 . 5.500 3.903 3.717 4.056 . 0 0 "[ . 1 . 2]" 1
756 1 97 THR MG 1 101 TYR QD 0.000 . 3.500 3.405 3.236 3.501 0.001 8 0 "[ . 1 . 2]" 1
757 1 98 SER H 1 101 TYR QD 0.000 . 5.500 4.914 4.823 5.020 . 0 0 "[ . 1 . 2]" 1
758 1 99 ALA H 1 101 TYR QD 0.000 . 5.500 5.529 5.511 5.543 0.043 5 0 "[ . 1 . 2]" 1
759 1 100 PHE HB2 1 101 TYR QD 0.000 . 4.500 4.085 3.925 4.242 . 0 0 "[ . 1 . 2]" 1
760 1 101 TYR QD 1 102 GLN H 0.000 . 5.500 4.115 4.026 4.169 . 0 0 "[ . 1 . 2]" 1
761 1 101 TYR QD 1 105 GLY HA3 0.000 . 5.500 3.698 3.366 3.966 . 0 0 "[ . 1 . 2]" 1
762 1 101 TYR QD 1 105 GLY HA2 0.000 . 4.500 2.130 1.852 2.371 . 0 0 "[ . 1 . 2]" 1
763 1 101 TYR QD 1 106 VAL H 0.000 . 5.500 3.559 3.432 3.648 . 0 0 "[ . 1 . 2]" 1
764 1 99 ALA H 1 101 TYR H 0.000 . 5.500 4.561 4.489 4.649 . 0 0 "[ . 1 . 2]" 1
765 1 100 PHE HB2 1 101 TYR H 0.000 . 5.500 2.662 2.613 2.732 . 0 0 "[ . 1 . 2]" 1
766 1 100 PHE HB3 1 101 TYR H 0.000 . 5.500 2.756 2.705 2.825 . 0 0 "[ . 1 . 2]" 1
767 1 101 TYR H 1 102 GLN H 0.000 . 5.500 2.545 2.516 2.582 . 0 0 "[ . 1 . 2]" 1
768 1 101 TYR H 1 105 GLY HA2 0.000 . 5.500 4.081 3.761 4.291 . 0 0 "[ . 1 . 2]" 1
769 1 102 GLN HA 1 103 THR HA 0.000 . 5.500 4.578 4.546 4.601 . 0 0 "[ . 1 . 2]" 1
770 1 102 GLN HA 1 103 THR H 0.000 . 3.500 3.463 3.453 3.472 . 0 0 "[ . 1 . 2]" 1
771 1 100 PHE H 1 102 GLN H 0.000 . 5.500 3.972 3.826 4.079 . 0 0 "[ . 1 . 2]" 1
772 1 102 GLN H 1 103 THR MG 0.000 . 5.500 3.921 3.754 4.073 . 0 0 "[ . 1 . 2]" 1
773 1 17 ALA MB 1 103 THR HA 0.000 . 5.500 3.412 2.928 3.970 . 0 0 "[ . 1 . 2]" 1
774 1 102 GLN H 1 103 THR HA 0.000 . 5.500 5.195 5.132 5.306 . 0 0 "[ . 1 . 2]" 1
775 1 103 THR HA 1 104 THR H 0.000 . 5.500 3.615 3.610 3.621 . 0 0 "[ . 1 . 2]" 1
776 1 14 ASN HA 1 103 THR MG 0.000 . 5.500 4.068 3.177 4.886 . 0 0 "[ . 1 . 2]" 1
777 1 14 ASN HB2 1 103 THR MG 0.000 . 5.500 5.613 4.655 6.388 0.888 15 6 "[-* . *1 + **2]" 1
778 1 15 ALA HA 1 103 THR MG 0.000 . 5.500 4.697 4.253 4.917 . 0 0 "[ . 1 . 2]" 1
779 1 17 ALA H 1 103 THR MG 0.000 . 5.500 4.307 3.943 4.767 . 0 0 "[ . 1 . 2]" 1
780 1 18 PHE HA 1 103 THR MG 0.000 . 3.500 1.992 1.723 2.272 . 0 0 "[ . 1 . 2]" 1
781 1 18 PHE HB3 1 103 THR MG 0.000 . 5.500 3.527 3.292 3.874 . 0 0 "[ . 1 . 2]" 1
782 1 18 PHE HB2 1 103 THR MG 0.000 . 4.500 2.244 1.912 2.568 . 0 0 "[ . 1 . 2]" 1
783 1 18 PHE QD 1 103 THR MG 0.000 . 4.500 2.062 1.809 2.697 . 0 0 "[ . 1 . 2]" 1
784 1 18 PHE QE 1 103 THR MG 0.000 . 5.500 4.073 3.489 4.697 . 0 0 "[ . 1 . 2]" 1
785 1 18 PHE H 1 103 THR MG 0.000 . 3.000 2.628 2.313 2.994 . 0 0 "[ . 1 . 2]" 1
786 1 20 ASN H 1 103 THR MG 0.000 . 5.500 5.343 4.950 5.515 0.015 11 0 "[ . 1 . 2]" 1
787 1 21 SER QB 1 103 THR MG 0.000 . 5.500 3.277 2.799 3.745 . 0 0 "[ . 1 . 2]" 1
788 1 22 PHE H 1 103 THR MG 0.000 . 5.500 5.167 4.885 5.424 . 0 0 "[ . 1 . 2]" 1
789 1 102 GLN HB3 1 103 THR MG 0.000 . 5.500 3.493 3.116 3.820 . 0 0 "[ . 1 . 2]" 1
790 1 18 PHE QD 1 103 THR H 0.000 . 5.500 4.427 3.969 4.767 . 0 0 "[ . 1 . 2]" 1
791 1 100 PHE HA 1 103 THR H 0.000 . 5.500 3.705 3.617 3.866 . 0 0 "[ . 1 . 2]" 1
792 1 102 GLN HB3 1 103 THR H 0.000 . 5.500 3.990 3.879 4.095 . 0 0 "[ . 1 . 2]" 1
793 1 102 GLN HB2 1 103 THR H 0.000 . 5.500 3.154 3.117 3.190 . 0 0 "[ . 1 . 2]" 1
794 1 102 GLN H 1 103 THR H 0.000 . 3.500 2.526 2.455 2.649 . 0 0 "[ . 1 . 2]" 1
795 1 103 THR H 1 104 THR H 0.000 . 3.500 2.517 2.462 2.558 . 0 0 "[ . 1 . 2]" 1
796 1 103 THR H 1 105 GLY H 0.000 . 5.500 3.821 3.729 3.880 . 0 0 "[ . 1 . 2]" 1
797 1 104 THR HA 1 105 GLY H 0.000 . 5.500 3.575 3.568 3.581 . 0 0 "[ . 1 . 2]" 1
798 1 104 THR HA 1 106 VAL H 0.000 . 5.500 5.499 5.445 5.521 0.021 1 0 "[ . 1 . 2]" 1
799 1 100 PHE QD 1 104 THR MG 0.000 . 4.500 4.086 2.581 4.533 0.033 19 0 "[ . 1 . 2]" 1
800 1 103 THR HB 1 104 THR H 0.000 . 5.500 3.333 3.255 3.407 . 0 0 "[ . 1 . 2]" 1
801 1 104 THR H 1 105 GLY HA2 0.000 . 5.500 4.235 4.219 4.269 . 0 0 "[ . 1 . 2]" 1
802 1 100 PHE QD 1 105 GLY H 0.000 . 5.500 3.449 3.163 3.734 . 0 0 "[ . 1 . 2]" 1
803 1 101 TYR HA 1 105 GLY H 0.000 . 5.500 3.079 2.949 3.162 . 0 0 "[ . 1 . 2]" 1
804 1 101 TYR QD 1 105 GLY H 0.000 . 5.500 4.054 3.910 4.148 . 0 0 "[ . 1 . 2]" 1
805 1 104 THR MG 1 105 GLY H 0.000 . 4.500 3.097 1.785 3.696 . 0 0 "[ . 1 . 2]" 1
806 1 104 THR H 1 105 GLY H 0.000 . 3.500 2.073 2.056 2.098 . 0 0 "[ . 1 . 2]" 1
807 1 105 GLY H 1 106 VAL MG2 0.000 . 5.500 3.088 2.872 3.401 . 0 0 "[ . 1 . 2]" 1
808 1 106 VAL HA 1 107 VAL H 0.000 . 2.700 2.507 2.382 2.534 . 0 0 "[ . 1 . 2]" 1
809 1 106 VAL HB 1 107 VAL HA 0.000 . 5.500 4.998 4.900 5.199 . 0 0 "[ . 1 . 2]" 1
810 1 100 PHE HA 1 106 VAL MG2 0.000 . 5.500 4.521 4.264 4.912 . 0 0 "[ . 1 . 2]" 1
811 1 100 PHE QE 1 106 VAL MG2 0.000 . 5.500 2.989 2.705 3.508 . 0 0 "[ . 1 . 2]" 1
812 1 105 GLY HA3 1 106 VAL MG2 0.000 . 5.500 4.067 3.885 4.235 . 0 0 "[ . 1 . 2]" 1
813 1 105 GLY HA2 1 106 VAL MG2 0.000 . 5.500 4.218 4.103 4.429 . 0 0 "[ . 1 . 2]" 1
814 1 100 PHE QD 1 106 VAL H 0.000 . 5.500 2.278 2.139 2.424 . 0 0 "[ . 1 . 2]" 1
815 1 100 PHE QE 1 106 VAL H 0.000 . 4.500 4.324 4.150 4.486 . 0 0 "[ . 1 . 2]" 1
816 1 104 THR MG 1 106 VAL H 0.000 . 5.500 3.910 2.341 4.841 . 0 0 "[ . 1 . 2]" 1
817 1 104 THR H 1 106 VAL H 0.000 . 5.500 4.024 3.943 4.098 . 0 0 "[ . 1 . 2]" 1
818 1 105 GLY HA3 1 106 VAL H 0.000 . 5.500 3.575 3.569 3.583 . 0 0 "[ . 1 . 2]" 1
819 1 105 GLY HA2 1 106 VAL H 0.000 . 4.500 2.773 2.741 2.815 . 0 0 "[ . 1 . 2]" 1
820 1 100 PHE QD 1 106 VAL HB 0.000 . 5.500 2.030 1.885 2.436 . 0 0 "[ . 1 . 2]" 1
821 1 100 PHE QE 1 107 VAL MG2 0.000 . 4.500 4.523 4.446 4.561 0.061 13 0 "[ . 1 . 2]" 1
822 1 106 VAL H 1 107 VAL MG2 0.000 . 5.500 5.550 5.524 5.581 0.081 14 0 "[ . 1 . 2]" 1
823 1 107 VAL MG2 1 110 ARG HD2 0.000 . 5.500 3.321 2.078 4.501 . 0 0 "[ . 1 . 2]" 1
824 1 100 PHE HB3 1 107 VAL H 0.000 . 5.500 5.480 5.340 5.530 0.030 9 0 "[ . 1 . 2]" 1
825 1 100 PHE QD 1 107 VAL H 0.000 . 5.500 4.858 4.626 5.362 . 0 0 "[ . 1 . 2]" 1
826 1 106 VAL HB 1 107 VAL H 0.000 . 4.500 3.347 3.214 3.651 . 0 0 "[ . 1 . 2]" 1
827 1 106 VAL MG2 1 107 VAL H 0.000 . 4.500 3.883 3.795 3.929 . 0 0 "[ . 1 . 2]" 1
828 1 106 VAL H 1 107 VAL H 0.000 . 5.500 4.538 4.508 4.577 . 0 0 "[ . 1 . 2]" 1
829 1 110 ARG HA 1 111 PHE H 0.000 . 5.500 3.591 3.586 3.597 . 0 0 "[ . 1 . 2]" 1
830 1 9 TRP HH2 1 110 ARG QG 0.000 . 5.500 5.095 4.715 5.260 . 0 0 "[ . 1 . 2]" 1
831 1 109 SER H 1 110 ARG H 0.000 . 4.500 2.792 2.678 2.879 . 0 0 "[ . 1 . 2]" 1
832 1 110 ARG H 1 111 PHE HA 0.000 . 5.500 5.445 5.372 5.511 0.011 13 0 "[ . 1 . 2]" 1
833 1 111 PHE HA 1 112 ILE H 0.000 . 5.500 3.574 3.564 3.582 . 0 0 "[ . 1 . 2]" 1
834 1 111 PHE HA 1 114 GLU H 0.000 . 5.500 3.580 3.445 3.746 . 0 0 "[ . 1 . 2]" 1
835 1 18 PHE QE 1 111 PHE QD 0.000 . 5.500 4.074 3.181 4.593 . 0 0 "[ . 1 . 2]" 1
836 1 18 PHE HZ 1 111 PHE QD 0.000 . 5.500 3.266 2.547 4.279 . 0 0 "[ . 1 . 2]" 1
837 1 68 MET HA 1 111 PHE QD 0.000 . 5.500 5.336 4.781 5.529 0.029 3 0 "[ . 1 . 2]" 1
838 1 100 PHE QE 1 111 PHE QD 0.000 . 3.500 2.956 2.529 3.509 0.009 20 0 "[ . 1 . 2]" 1
839 1 100 PHE HZ 1 111 PHE QD 0.000 . 5.500 3.548 3.071 3.936 . 0 0 "[ . 1 . 2]" 1
840 1 111 PHE QD 1 112 ILE HA 0.000 . 4.500 3.521 3.001 4.508 0.008 5 0 "[ . 1 . 2]" 1
841 1 111 PHE QD 1 112 ILE H 0.000 . 5.500 3.527 3.230 4.103 . 0 0 "[ . 1 . 2]" 1
842 1 111 PHE QD 1 114 GLU H 0.000 . 5.500 5.157 3.901 5.427 . 0 0 "[ . 1 . 2]" 1
843 1 111 PHE QD 1 115 ILE HB 0.000 . 5.500 4.847 4.613 5.296 . 0 0 "[ . 1 . 2]" 1
844 1 111 PHE QD 1 115 ILE H 0.000 . 5.500 4.791 3.589 5.010 . 0 0 "[ . 1 . 2]" 1
845 1 111 PHE H 1 113 SER QB 0.000 . 5.500 4.855 4.605 5.512 0.012 7 0 "[ . 1 . 2]" 1
846 1 110 ARG QG 1 111 PHE H 0.000 . 5.500 3.455 3.163 3.892 . 0 0 "[ . 1 . 2]" 1
847 1 111 PHE H 1 112 ILE MD 0.000 . 5.500 5.444 5.335 5.521 0.021 6 0 "[ . 1 . 2]" 1
848 1 111 PHE H 1 113 SER H 0.000 . 5.500 3.999 3.841 4.167 . 0 0 "[ . 1 . 2]" 1
849 1 112 ILE HA 1 113 SER H 0.000 . 5.500 3.556 3.511 3.584 . 0 0 "[ . 1 . 2]" 1
850 1 112 ILE HA 1 115 ILE HB 0.000 . 5.500 2.648 2.426 2.866 . 0 0 "[ . 1 . 2]" 1
851 1 112 ILE HA 1 113 SER HA 0.000 . 5.500 4.849 4.809 4.873 . 0 0 "[ . 1 . 2]" 1
852 1 112 ILE HB 1 113 SER HA 0.000 . 5.500 4.377 4.306 4.485 . 0 0 "[ . 1 . 2]" 1
853 1 112 ILE MG 1 113 SER HA 0.000 . 4.500 3.477 3.264 3.749 . 0 0 "[ . 1 . 2]" 1
854 1 113 SER HA 1 116 ARG QB 0.000 . 3.500 2.654 2.331 3.431 . 0 0 "[ . 1 . 2]" 1
855 1 113 SER HA 1 116 ARG HG2 0.000 . 4.500 4.724 3.237 5.299 0.799 10 9 "[ * *. * +-* . ***]" 1
856 1 112 ILE H 1 113 SER H 0.000 . 4.500 2.807 2.711 2.876 . 0 0 "[ . 1 . 2]" 1
857 1 114 GLU HA 1 115 ILE HA 0.000 . 5.500 4.786 4.748 4.866 . 0 0 "[ . 1 . 2]" 1
858 1 114 GLU HA 1 115 ILE H 0.000 . 5.500 3.558 3.542 3.581 . 0 0 "[ . 1 . 2]" 1
859 1 114 GLU HA 1 116 ARG H 0.000 . 5.500 4.494 4.219 4.681 . 0 0 "[ . 1 . 2]" 1
860 1 114 GLU HA 1 117 SER H 0.000 . 4.500 3.705 3.504 3.814 . 0 0 "[ . 1 . 2]" 1
861 1 114 GLU HA 1 118 LEU MD2 0.000 . 5.500 5.336 4.986 5.790 0.290 11 0 "[ . 1 . 2]" 1
862 1 114 GLU HA 1 118 LEU HG 0.000 . 5.500 4.324 3.852 4.784 . 0 0 "[ . 1 . 2]" 1
863 1 114 GLU HA 1 118 LEU H 0.000 . 5.500 4.449 4.049 4.628 . 0 0 "[ . 1 . 2]" 1
864 1 112 ILE MG 1 114 GLU H 0.000 . 5.500 4.865 4.647 5.087 . 0 0 "[ . 1 . 2]" 1
865 1 112 ILE H 1 114 GLU H 0.000 . 5.500 4.363 4.223 4.659 . 0 0 "[ . 1 . 2]" 1
866 1 113 SER H 1 114 GLU H 0.000 . 3.500 2.772 2.662 2.856 . 0 0 "[ . 1 . 2]" 1
867 1 114 GLU H 1 115 ILE H 0.000 . 5.500 2.643 2.555 2.834 . 0 0 "[ . 1 . 2]" 1
868 1 92 ILE MG 1 115 ILE HA 0.000 . 5.500 5.125 4.875 5.442 . 0 0 "[ . 1 . 2]" 1
869 1 115 ILE HA 1 116 ARG H 0.000 . 5.500 3.553 3.526 3.575 . 0 0 "[ . 1 . 2]" 1
870 1 115 ILE HA 1 117 SER H 0.000 . 5.500 4.362 4.184 4.583 . 0 0 "[ . 1 . 2]" 1
871 1 115 ILE HA 1 118 LEU H 0.000 . 5.500 3.171 3.076 3.333 . 0 0 "[ . 1 . 2]" 1
872 1 115 ILE HA 1 122 PHE QE 0.000 . 5.500 5.401 5.105 5.515 0.015 11 0 "[ . 1 . 2]" 1
873 1 71 ALA H 1 115 ILE MD 0.000 . 5.500 4.170 3.840 4.497 . 0 0 "[ . 1 . 2]" 1
874 1 111 PHE QD 1 115 ILE MD 0.000 . 4.500 2.455 1.850 3.666 . 0 0 "[ . 1 . 2]" 1
875 1 74 VAL HB 1 115 ILE MG 0.000 . 5.500 4.649 3.790 5.510 0.010 12 0 "[ . 1 . 2]" 1
876 1 115 ILE MG 1 122 PHE QE 0.000 . 5.500 4.758 4.324 5.100 . 0 0 "[ . 1 . 2]" 1
877 1 116 ARG HA 1 117 SER H 0.000 . 5.500 3.568 3.548 3.580 . 0 0 "[ . 1 . 2]" 1
878 1 116 ARG HA 1 119 ILE MG 0.000 . 4.500 4.446 4.175 4.526 0.026 18 0 "[ . 1 . 2]" 1
879 1 116 ARG HA 1 119 ILE H 0.000 . 5.500 3.637 3.209 3.794 . 0 0 "[ . 1 . 2]" 1
880 1 115 ILE H 1 116 ARG QB 0.000 . 5.500 4.398 4.258 4.743 . 0 0 "[ . 1 . 2]" 1
881 1 116 ARG HG3 1 119 ILE H 0.000 . 5.500 5.798 5.351 6.496 0.996 10 7 "[ - *. * + * . **2]" 1
882 1 115 ILE H 1 116 ARG H 0.000 . 5.500 2.641 2.535 2.840 . 0 0 "[ . 1 . 2]" 1
883 1 116 ARG H 1 117 SER H 0.000 . 4.500 2.846 2.787 2.904 . 0 0 "[ . 1 . 2]" 1
884 1 117 SER H 1 120 GLY H 0.000 . 5.500 5.003 4.939 5.132 . 0 0 "[ . 1 . 2]" 1
885 1 118 LEU HA 1 119 ILE H 0.000 . 5.500 3.568 3.551 3.581 . 0 0 "[ . 1 . 2]" 1
886 1 118 LEU HA 1 122 PHE QD 0.000 . 5.500 4.459 4.323 4.733 . 0 0 "[ . 1 . 2]" 1
887 1 118 LEU HA 1 122 PHE QE 0.000 . 4.500 4.056 3.836 4.211 . 0 0 "[ . 1 . 2]" 1
888 1 118 LEU MD2 1 122 PHE QE 0.000 . 4.500 3.524 2.947 3.920 . 0 0 "[ . 1 . 2]" 1
889 1 117 SER H 1 118 LEU H 0.000 . 4.500 2.554 2.501 2.695 . 0 0 "[ . 1 . 2]" 1
890 1 118 LEU H 1 119 ILE H 0.000 . 4.500 2.651 2.574 2.700 . 0 0 "[ . 1 . 2]" 1
891 1 118 LEU H 1 120 GLY H 0.000 . 5.500 4.146 4.006 4.284 . 0 0 "[ . 1 . 2]" 1
892 1 119 ILE HA 1 120 GLY H 0.000 . 5.500 3.551 3.532 3.576 . 0 0 "[ . 1 . 2]" 1
893 1 119 ILE HA 1 122 PHE QE 0.000 . 5.500 3.561 3.075 4.004 . 0 0 "[ . 1 . 2]" 1
894 1 75 ALA HA 1 119 ILE HB 0.000 . 5.500 5.228 4.901 5.511 0.011 1 0 "[ . 1 . 2]" 1
895 1 119 ILE HB 1 120 GLY H 0.000 . 5.500 2.632 2.441 2.759 . 0 0 "[ . 1 . 2]" 1
896 1 80 SER H 1 119 ILE MG 0.000 . 5.500 5.509 5.473 5.531 0.031 11 0 "[ . 1 . 2]" 1
897 1 119 ILE MG 1 120 GLY H 0.000 . 5.500 3.557 3.388 3.697 . 0 0 "[ . 1 . 2]" 1
898 1 119 ILE MG 1 122 PHE H 0.000 . 5.500 4.573 4.365 4.755 . 0 0 "[ . 1 . 2]" 1
899 1 120 GLY HA3 1 121 MET H 0.000 . 5.500 2.929 2.875 3.007 . 0 0 "[ . 1 . 2]" 1
900 1 120 GLY HA3 1 123 ALA MB 0.000 . 5.500 4.054 3.851 4.390 . 0 0 "[ . 1 . 2]" 1
901 1 120 GLY HA2 1 123 ALA MB 0.000 . 5.500 2.713 2.482 3.067 . 0 0 "[ . 1 . 2]" 1
902 1 120 GLY HA2 1 123 ALA H 0.000 . 5.500 3.407 3.272 3.612 . 0 0 "[ . 1 . 2]" 1
903 1 119 ILE H 1 120 GLY H 0.000 . 5.500 2.748 2.684 2.832 . 0 0 "[ . 1 . 2]" 1
904 1 121 MET HA 1 122 PHE H 0.000 . 5.500 3.556 3.543 3.570 . 0 0 "[ . 1 . 2]" 1
905 1 121 MET HA 1 123 ALA H 0.000 . 5.500 4.338 4.052 4.715 . 0 0 "[ . 1 . 2]" 1
906 1 118 LEU HA 1 121 MET HG3 0.000 . 5.500 5.315 5.051 5.497 . 0 0 "[ . 1 . 2]" 1
907 1 118 LEU HA 1 121 MET HG2 0.000 . 5.500 5.233 4.615 5.503 0.003 5 0 "[ . 1 . 2]" 1
908 1 118 LEU HA 1 121 MET H 0.000 . 5.500 3.291 3.191 3.416 . 0 0 "[ . 1 . 2]" 1
909 1 119 ILE H 1 121 MET H 0.000 . 4.500 4.117 3.999 4.225 . 0 0 "[ . 1 . 2]" 1
910 1 120 GLY H 1 121 MET H 0.000 . 5.500 2.602 2.530 2.729 . 0 0 "[ . 1 . 2]" 1
911 1 121 MET H 1 122 PHE H 0.000 . 4.500 2.687 2.589 2.840 . 0 0 "[ . 1 . 2]" 1
912 1 121 MET HA 1 122 PHE HA 0.000 . 5.500 4.814 4.771 4.839 . 0 0 "[ . 1 . 2]" 1
913 1 121 MET HG3 1 122 PHE HA 0.000 . 5.500 5.222 3.668 5.454 . 0 0 "[ . 1 . 2]" 1
914 1 122 PHE HA 1 123 ALA H 0.000 . 5.500 3.546 3.506 3.586 . 0 0 "[ . 1 . 2]" 1
915 1 122 PHE HA 1 124 GLN H 0.000 . 5.500 4.108 4.016 4.303 . 0 0 "[ . 1 . 2]" 1
916 1 122 PHE HA 1 125 ALA MB 0.000 . 4.500 2.715 2.411 3.001 . 0 0 "[ . 1 . 2]" 1
917 1 122 PHE HA 1 125 ALA H 0.000 . 5.500 3.305 3.177 3.403 . 0 0 "[ . 1 . 2]" 1
918 1 122 PHE HA 1 126 SER H 0.000 . 5.500 4.734 3.991 5.268 . 0 0 "[ . 1 . 2]" 1
919 1 122 PHE HB2 1 123 ALA H 0.000 . 5.500 2.682 2.405 2.898 . 0 0 "[ . 1 . 2]" 1
920 1 119 ILE HA 1 122 PHE QD 0.000 . 5.500 1.922 1.867 2.197 . 0 0 "[ . 1 . 2]" 1
921 1 119 ILE H 1 122 PHE QD 0.000 . 5.500 3.999 3.874 4.169 . 0 0 "[ . 1 . 2]" 1
922 1 120 GLY H 1 122 PHE QD 0.000 . 5.500 4.610 4.335 5.137 . 0 0 "[ . 1 . 2]" 1
923 1 76 GLN HA 1 122 PHE QE 0.000 . 5.500 4.553 3.973 5.472 . 0 0 "[ . 1 . 2]" 1
924 1 118 LEU HA 1 122 PHE H 0.000 . 5.500 4.455 4.137 4.775 . 0 0 "[ . 1 . 2]" 1
925 1 119 ILE H 1 122 PHE H 0.000 . 5.500 5.013 4.789 5.172 . 0 0 "[ . 1 . 2]" 1
926 1 120 GLY H 1 122 PHE H 0.000 . 5.500 4.260 4.125 4.439 . 0 0 "[ . 1 . 2]" 1
927 1 123 ALA HA 1 124 GLN H 0.000 . 3.500 3.519 3.499 3.535 0.035 7 0 "[ . 1 . 2]" 1
928 1 123 ALA HA 1 126 SER HB2 0.000 . 5.500 4.214 3.177 5.248 . 0 0 "[ . 1 . 2]" 1
929 1 123 ALA HA 1 126 SER H 0.000 . 5.500 3.492 3.312 3.635 . 0 0 "[ . 1 . 2]" 1
930 1 122 PHE H 1 123 ALA MB 0.000 . 5.500 4.324 4.219 4.475 . 0 0 "[ . 1 . 2]" 1
931 1 123 ALA MB 1 124 GLN HG2 0.000 . 5.500 4.132 3.335 4.464 . 0 0 "[ . 1 . 2]" 1
932 1 123 ALA MB 1 124 GLN H 0.000 . 3.500 2.745 2.580 2.891 . 0 0 "[ . 1 . 2]" 1
933 1 123 ALA MB 1 125 ALA H 0.000 . 5.500 4.517 4.416 4.567 . 0 0 "[ . 1 . 2]" 1
934 1 122 PHE H 1 123 ALA H 0.000 . 5.500 2.692 2.590 2.840 . 0 0 "[ . 1 . 2]" 1
935 1 123 ALA MB 1 124 GLN HA 0.000 . 4.500 3.813 3.745 3.875 . 0 0 "[ . 1 . 2]" 1
936 1 124 GLN HA 1 125 ALA H 0.000 . 4.500 3.529 3.514 3.549 . 0 0 "[ . 1 . 2]" 1
937 1 124 GLN HA 1 127 ALA MB 0.000 . 4.500 2.960 2.139 3.264 . 0 0 "[ . 1 . 2]" 1
938 1 121 MET HA 1 124 GLN HG3 0.000 . 4.500 3.212 2.780 3.552 . 0 0 "[ . 1 . 2]" 1
939 1 122 PHE H 1 124 GLN H 0.000 . 5.500 4.104 3.949 4.302 . 0 0 "[ . 1 . 2]" 1
940 1 123 ALA H 1 124 GLN H 0.000 . 4.500 2.650 2.552 2.760 . 0 0 "[ . 1 . 2]" 1
941 1 124 GLN H 1 125 ALA HA 0.000 . 5.500 5.225 5.193 5.299 . 0 0 "[ . 1 . 2]" 1
942 1 121 MET HA 1 125 ALA MB 0.000 . 5.500 5.396 4.816 5.505 0.005 6 0 "[ . 1 . 2]" 1
943 1 125 ALA MB 1 126 SER HA 0.000 . 4.500 3.786 3.714 3.880 . 0 0 "[ . 1 . 2]" 1
944 1 122 PHE QD 1 125 ALA H 0.000 . 5.500 5.381 4.983 5.501 0.001 20 0 "[ . 1 . 2]" 1
945 1 124 GLN H 1 125 ALA H 0.000 . 4.500 2.562 2.539 2.640 . 0 0 "[ . 1 . 2]" 1
946 1 125 ALA H 1 126 SER H 0.000 . 5.500 2.638 2.495 2.760 . 0 0 "[ . 1 . 2]" 1
947 1 125 ALA HA 1 126 SER HA 0.000 . 5.500 4.825 4.730 4.877 . 0 0 "[ . 1 . 2]" 1
948 1 126 SER HA 1 127 ALA H 0.000 . 5.500 3.506 3.454 3.541 . 0 0 "[ . 1 . 2]" 1
949 1 126 SER HA 1 128 ASN HB2 0.000 . 5.500 4.966 4.302 5.741 0.241 2 0 "[ . 1 . 2]" 1
950 1 126 SER H 1 127 ALA HA 0.000 . 5.500 5.274 5.093 5.394 . 0 0 "[ . 1 . 2]" 1
951 1 126 SER H 1 127 ALA MB 0.000 . 5.500 4.282 4.069 4.445 . 0 0 "[ . 1 . 2]" 1
952 1 127 ALA MB 1 128 ASN HA 0.000 . 5.500 3.861 3.757 3.945 . 0 0 "[ . 1 . 2]" 1
953 1 127 ALA H 1 128 ASN H 0.000 . 5.500 2.591 2.514 2.681 . 0 0 "[ . 1 . 2]" 1
954 1 128 ASN HA 1 129 ASP H 0.000 . 4.500 3.472 3.358 3.533 . 0 0 "[ . 1 . 2]" 1
955 1 129 ASP HA 1 130 VAL QG 0.000 . 5.500 4.592 4.176 4.833 . 0 0 "[ . 1 . 2]" 1
956 1 129 ASP HA 1 130 VAL HA 0.000 . 5.500 4.789 4.555 4.876 . 0 0 "[ . 1 . 2]" 1
957 1 130 VAL HA 1 131 TYR QD 0.000 . 4.500 4.181 3.462 4.554 0.054 11 0 "[ . 1 . 2]" 1
958 1 129 ASP H 1 130 VAL QG 0.000 . 5.500 3.659 3.366 4.306 . 0 0 "[ . 1 . 2]" 1
959 1 130 VAL QG 1 132 ALA HA 0.000 . 5.500 5.286 3.888 5.431 . 0 0 "[ . 1 . 2]" 1
960 1 130 VAL QG 1 133 SER HA 0.000 . 5.500 5.259 4.980 5.408 . 0 0 "[ . 1 . 2]" 1
961 1 128 ASN HA 1 130 VAL H 0.000 . 5.500 4.423 3.695 5.549 0.049 17 0 "[ . 1 . 2]" 1
962 1 130 VAL HA 1 131 TYR HA 0.000 . 5.500 4.707 4.662 5.307 . 0 0 "[ . 1 . 2]" 1
963 1 130 VAL QG 1 131 TYR HA 0.000 . 5.000 3.777 3.652 4.000 . 0 0 "[ . 1 . 2]" 1
964 1 130 VAL H 1 131 TYR HA 0.000 . 5.500 5.149 4.606 5.257 . 0 0 "[ . 1 . 2]" 1
965 1 131 TYR HA 1 132 ALA HA 0.000 . 5.500 4.392 4.364 4.659 . 0 0 "[ . 1 . 2]" 1
966 1 131 TYR HA 1 132 ALA MB 0.000 . 5.000 4.167 4.079 4.265 . 0 0 "[ . 1 . 2]" 1
967 1 131 TYR HA 1 132 ALA H 0.000 . 4.500 2.596 2.393 3.536 . 0 0 "[ . 1 . 2]" 1
968 1 131 TYR QD 1 132 ALA HA 0.000 . 5.500 4.099 3.805 4.706 . 0 0 "[ . 1 . 2]" 1
969 1 131 TYR QD 1 133 SER H 0.000 . 5.500 4.334 4.018 4.848 . 0 0 "[ . 1 . 2]" 1
970 1 127 ALA MB 1 131 TYR QE 0.000 . 5.000 3.874 3.149 5.143 0.143 17 0 "[ . 1 . 2]" 1
971 1 130 VAL HB 1 131 TYR QE 0.000 . 5.000 4.658 3.814 5.093 0.093 17 0 "[ . 1 . 2]" 1
972 1 131 TYR QE 1 133 SER HA 0.000 . 5.000 2.433 1.857 5.031 0.031 17 0 "[ . 1 . 2]" 1
973 1 130 VAL QG 1 131 TYR H 0.000 . 5.500 1.934 1.833 2.341 . 0 0 "[ . 1 . 2]" 1
974 1 130 VAL H 1 131 TYR H 0.000 . 5.500 2.601 2.295 2.705 . 0 0 "[ . 1 . 2]" 1
975 1 131 TYR H 1 132 ALA HA 0.000 . 5.500 4.718 4.619 5.480 . 0 0 "[ . 1 . 2]" 1
976 1 132 ALA HA 1 133 SER H 0.000 . 4.500 2.198 2.185 2.330 . 0 0 "[ . 1 . 2]" 1
977 1 131 TYR QD 1 132 ALA MB 0.000 . 5.500 3.592 3.071 4.596 . 0 0 "[ . 1 . 2]" 1
978 1 132 ALA MB 1 133 SER HA 0.000 . 5.500 4.501 4.206 4.648 . 0 0 "[ . 1 . 2]" 1
979 1 131 TYR QD 1 132 ALA H 0.000 . 5.500 2.724 2.061 3.680 . 0 0 "[ . 1 . 2]" 1
980 1 131 TYR QE 1 132 ALA H 0.000 . 5.500 4.867 4.431 5.219 . 0 0 "[ . 1 . 2]" 1
981 1 132 ALA H 1 133 SER HA 0.000 . 5.500 5.325 4.277 5.457 . 0 0 "[ . 1 . 2]" 1
982 1 9 TRP QB 1 63 LEU QD 0.000 . 4.500 3.323 2.172 4.612 0.112 19 0 "[ . 1 . 2]" 1
983 1 12 LYS QG 1 58 ILE QG 0.000 . 3.500 1.988 1.822 2.248 . 0 0 "[ . 1 . 2]" 1
984 1 12 LYS QB 1 58 ILE QG 0.000 . 4.500 2.381 1.750 4.018 . 0 0 "[ . 1 . 2]" 1
985 1 39 ASN HA 1 43 ILE H 0.000 . 4.500 4.483 4.441 4.514 0.014 5 0 "[ . 1 . 2]" 1
986 1 45 ASN H 1 46 THR H 0.000 . 3.500 2.646 2.463 2.808 . 0 0 "[ . 1 . 2]" 1
987 1 45 ASN QB 1 46 THR H 0.000 . 3.500 2.709 2.542 3.356 . 0 0 "[ . 1 . 2]" 1
988 1 12 LYS QG 1 58 ILE MG 0.000 . 4.500 3.066 2.408 4.030 . 0 0 "[ . 1 . 2]" 1
989 1 12 LYS QG 1 66 LEU QD 0.000 . 5.500 5.019 4.153 5.341 . 0 0 "[ . 1 . 2]" 1
990 1 12 LYS QG 1 16 ASP QB 0.000 . 5.500 4.836 3.740 5.542 0.042 11 0 "[ . 1 . 2]" 1
991 1 19 ILE MD 1 66 LEU QD 0.000 . 5.000 4.002 3.088 4.798 . 0 0 "[ . 1 . 2]" 1
992 1 70 PHE QB 1 74 VAL MG1 0.000 . 5.000 4.228 3.674 4.953 . 0 0 "[ . 1 . 2]" 1
993 1 48 MET HA 1 66 LEU QD 0.000 . 5.500 4.502 3.697 5.172 . 0 0 "[ . 1 . 2]" 1
994 1 100 PHE QD 1 103 THR HG1 0.000 . 4.500 4.397 4.013 4.507 0.007 2 0 "[ . 1 . 2]" 1
995 1 29 THR HG1 1 32 PHE QD 0.000 . 5.000 5.026 5.010 5.049 0.049 7 0 "[ . 1 . 2]" 1
996 1 32 PHE QD 1 88 THR MG 0.000 . 5.000 5.035 5.015 5.076 0.076 1 0 "[ . 1 . 2]" 1
997 1 32 PHE QD 1 92 ILE QG 0.000 . 5.500 4.950 4.685 5.365 . 0 0 "[ . 1 . 2]" 1
998 1 9 TRP HE3 1 18 PHE QD 0.000 . 4.500 4.465 4.156 4.543 0.043 2 0 "[ . 1 . 2]" 1
999 1 18 PHE QD 1 22 PHE QB 0.000 . 5.500 3.892 3.397 4.252 . 0 0 "[ . 1 . 2]" 1
1000 1 18 PHE QD 1 102 GLN QB 0.000 . 5.500 5.121 4.452 5.502 0.002 19 0 "[ . 1 . 2]" 1
1001 1 18 PHE QD 1 19 ILE QG 0.000 . 5.500 3.390 2.451 3.855 . 0 0 "[ . 1 . 2]" 1
1002 1 18 PHE QD 1 99 ALA H 0.000 . 5.500 5.183 4.847 5.439 . 0 0 "[ . 1 . 2]" 1
1003 1 101 TYR QB 1 103 THR H 0.000 . 5.500 4.568 4.503 4.600 . 0 0 "[ . 1 . 2]" 1
1004 1 29 THR H 1 32 PHE QE 0.000 . 5.500 5.401 5.234 5.512 0.012 4 0 "[ . 1 . 2]" 1
1005 1 103 THR HG1 1 105 GLY H 0.000 . 5.500 4.410 3.996 4.533 . 0 0 "[ . 1 . 2]" 1
1006 1 105 GLY H 1 106 VAL HA 0.000 . 5.500 4.791 4.731 4.844 . 0 0 "[ . 1 . 2]" 1
1007 1 100 PHE QD 1 104 THR H 0.000 . 5.500 4.309 3.879 4.586 . 0 0 "[ . 1 . 2]" 1
1008 1 18 PHE QD 1 104 THR H 0.000 . 5.500 4.778 4.174 5.103 . 0 0 "[ . 1 . 2]" 1
1009 1 103 THR HG1 1 104 THR H 0.000 . 3.500 2.899 2.547 3.002 . 0 0 "[ . 1 . 2]" 1
1010 1 104 THR H 1 106 VAL MG2 0.000 . 5.500 4.228 3.975 4.491 . 0 0 "[ . 1 . 2]" 1
1011 1 80 SER H 1 81 GLN QG 0.000 . 5.500 3.767 3.475 5.677 0.177 4 0 "[ . 1 . 2]" 1
1012 1 80 SER H 1 81 GLN H 0.000 . 3.500 2.415 2.259 2.536 . 0 0 "[ . 1 . 2]" 1
1013 1 101 TYR HA 1 102 GLN H 0.000 . 4.500 3.513 3.506 3.524 . 0 0 "[ . 1 . 2]" 1
1014 1 101 TYR QB 1 102 GLN QG 0.000 . 5.000 3.199 2.870 3.597 . 0 0 "[ . 1 . 2]" 1
1015 1 21 SER QB 1 102 GLN QG 0.000 . 4.500 4.201 3.603 4.495 . 0 0 "[ . 1 . 2]" 1
1016 1 101 TYR QD 1 102 GLN QG 0.000 . 5.500 4.283 4.134 4.474 . 0 0 "[ . 1 . 2]" 1
1017 1 101 TYR H 1 102 GLN QG 0.000 . 5.500 4.226 3.993 4.427 . 0 0 "[ . 1 . 2]" 1
1018 1 102 GLN QG 1 103 THR H 0.000 . 5.000 4.279 4.100 4.402 . 0 0 "[ . 1 . 2]" 1
1019 1 121 MET HA 1 124 GLN H 0.000 . 4.500 3.433 3.336 3.536 . 0 0 "[ . 1 . 2]" 1
1020 1 85 LEU QD 1 124 GLN H 0.000 . 5.000 4.330 4.079 4.812 . 0 0 "[ . 1 . 2]" 1
1021 1 18 PHE HA 1 20 ASN H 0.000 . 5.000 4.640 4.434 4.847 . 0 0 "[ . 1 . 2]" 1
1022 1 89 THR H 1 119 ILE HB 0.000 . 5.500 5.463 5.100 5.528 0.028 8 0 "[ . 1 . 2]" 1
1023 1 78 ALA MB 1 89 THR H 0.000 . 5.500 5.319 5.017 5.503 0.003 13 0 "[ . 1 . 2]" 1
1024 1 87 VAL QG 1 89 THR H 0.000 . 5.500 4.009 3.784 4.643 . 0 0 "[ . 1 . 2]" 1
1025 1 89 THR H 1 119 ILE MD 0.000 . 4.500 3.759 3.334 4.066 . 0 0 "[ . 1 . 2]" 1
1026 1 32 PHE H 1 81 GLN QG 0.000 . 5.500 5.290 4.934 5.521 0.021 1 0 "[ . 1 . 2]" 1
1027 1 32 PHE H 1 87 VAL QG 0.000 . 5.500 4.190 3.379 4.925 . 0 0 "[ . 1 . 2]" 1
1028 1 33 SER H 1 81 GLN QG 0.000 . 5.500 4.163 3.760 4.847 . 0 0 "[ . 1 . 2]" 1
1029 1 63 LEU QD 1 66 LEU QD 0.000 . 5.500 2.573 1.750 3.914 . 0 0 "[ . 1 . 2]" 1
1030 1 116 ARG H 1 119 ILE MD 0.000 . 5.500 3.990 3.729 4.251 . 0 0 "[ . 1 . 2]" 1
1031 1 119 ILE H 1 119 ILE MD 0.000 . 5.500 3.339 3.107 3.451 . 0 0 "[ . 1 . 2]" 1
1032 1 119 ILE MD 1 120 GLY H 0.000 . 5.500 4.388 4.075 4.541 . 0 0 "[ . 1 . 2]" 1
1033 1 115 ILE MD 1 119 ILE MD 0.000 . 5.500 4.197 3.815 4.691 . 0 0 "[ . 1 . 2]" 1
1034 1 92 ILE QG 1 119 ILE MD 0.000 . 5.500 3.214 1.921 3.560 . 0 0 "[ . 1 . 2]" 1
1035 1 92 ILE MG 1 119 ILE MD 0.000 . 5.500 2.551 1.908 3.043 . 0 0 "[ . 1 . 2]" 1
1036 1 88 THR MG 1 119 ILE MD 0.000 . 5.500 2.106 1.814 2.616 . 0 0 "[ . 1 . 2]" 1
1037 1 85 LEU HG 1 119 ILE MD 0.000 . 5.500 4.529 4.096 5.306 . 0 0 "[ . 1 . 2]" 1
1038 1 115 ILE HA 1 119 ILE MD 0.000 . 5.500 4.472 4.125 4.803 . 0 0 "[ . 1 . 2]" 1
1039 1 116 ARG HA 1 119 ILE MD 0.000 . 5.500 2.199 1.882 2.503 . 0 0 "[ . 1 . 2]" 1
1040 1 75 ALA HA 1 119 ILE MD 0.000 . 5.500 3.467 3.142 3.698 . 0 0 "[ . 1 . 2]" 1
1041 1 89 THR HB 1 119 ILE MD 0.000 . 5.500 4.693 4.356 4.983 . 0 0 "[ . 1 . 2]" 1
1042 1 40 MET QG 1 41 SER H 0.000 . 5.500 4.016 3.709 4.168 . 0 0 "[ . 1 . 2]" 1
1043 1 23 ILE H 1 70 PHE QE 0.000 . 5.500 4.956 4.603 5.336 . 0 0 "[ . 1 . 2]" 1
1044 1 107 VAL HB 1 110 ARG H 0.000 . 3.500 3.066 2.790 3.375 . 0 0 "[ . 1 . 2]" 1
1045 1 89 THR MG 1 117 SER H 0.000 . 5.500 5.458 5.352 5.526 0.026 18 0 "[ . 1 . 2]" 1
1046 1 116 ARG QG 1 117 SER H 0.000 . 5.500 3.463 1.842 4.087 . 0 0 "[ . 1 . 2]" 1
1047 1 100 PHE QB 1 106 VAL H 0.000 . 5.500 2.737 2.493 2.999 . 0 0 "[ . 1 . 2]" 1
1048 1 94 ASP QB 1 95 ALA H 0.000 . 3.000 2.428 2.244 2.728 . 0 0 "[ . 1 . 2]" 1
1049 1 90 ASN H 1 93 ALA H 0.000 . 5.000 4.575 4.448 4.662 . 0 0 "[ . 1 . 2]" 1
1050 1 36 GLN QB 1 78 ALA H 0.000 . 5.500 5.493 5.443 5.511 0.011 6 0 "[ . 1 . 2]" 1
1051 1 88 THR MG 1 91 ALA H 0.000 . 4.500 4.388 4.299 4.508 0.008 18 0 "[ . 1 . 2]" 1
1052 1 18 PHE H 1 103 THR HG1 0.000 . 5.000 4.951 4.596 5.032 0.032 3 0 "[ . 1 . 2]" 1
1053 1 57 ARG H 1 58 ILE H 0.000 . 4.500 4.157 4.078 4.246 . 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 171
_Distance_constraint_stats_list.Viol_count 381
_Distance_constraint_stats_list.Viol_total 181.901
_Distance_constraint_stats_list.Viol_max 0.087
_Distance_constraint_stats_list.Viol_rms 0.0093
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0239
_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 3 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLN 0.357 0.062 4 0 "[ . 1 . 2]"
1 5 ALA 0.357 0.062 4 0 "[ . 1 . 2]"
1 6 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 THR 0.026 0.012 7 0 "[ . 1 . 2]"
1 9 TRP 0.354 0.067 15 0 "[ . 1 . 2]"
1 10 SER 0.075 0.044 15 0 "[ . 1 . 2]"
1 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LYS 0.435 0.047 13 0 "[ . 1 . 2]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.107 0.025 13 0 "[ . 1 . 2]"
1 16 ASP 0.569 0.051 15 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ILE 0.723 0.051 15 0 "[ . 1 . 2]"
1 20 ASN 0.027 0.015 1 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 PHE 0.058 0.033 5 0 "[ . 1 . 2]"
1 23 ILE 0.005 0.005 12 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ALA 0.026 0.010 5 0 "[ . 1 . 2]"
1 27 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 PHE 0.416 0.064 1 0 "[ . 1 . 2]"
1 33 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASN 0.842 0.057 16 0 "[ . 1 . 2]"
1 40 MET 0.868 0.057 16 0 "[ . 1 . 2]"
1 43 ILE 0.670 0.063 12 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASN 0.385 0.031 12 0 "[ . 1 . 2]"
1 46 THR 0.781 0.051 16 0 "[ . 1 . 2]"
1 47 LEU 0.323 0.031 12 0 "[ . 1 . 2]"
1 48 MET 0.377 0.055 18 0 "[ . 1 . 2]"
1 49 ALA 0.604 0.055 18 0 "[ . 1 . 2]"
1 50 ALA 0.385 0.055 18 0 "[ . 1 . 2]"
1 51 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ASP 0.476 0.055 18 0 "[ . 1 . 2]"
1 53 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 MET 1.024 0.079 10 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ARG 0.467 0.079 10 0 "[ . 1 . 2]"
1 58 ILE 0.506 0.063 8 0 "[ . 1 . 2]"
1 59 THR 0.434 0.063 8 0 "[ . 1 . 2]"
1 62 LYS 0.120 0.051 16 0 "[ . 1 . 2]"
1 63 LEU 0.222 0.067 15 0 "[ . 1 . 2]"
1 64 GLN 0.173 0.044 15 0 "[ . 1 . 2]"
1 65 ALA 0.081 0.051 16 0 "[ . 1 . 2]"
1 66 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 MET 0.076 0.018 2 0 "[ . 1 . 2]"
1 69 ALA 0.107 0.063 12 0 "[ . 1 . 2]"
1 70 PHE 0.068 0.018 4 0 "[ . 1 . 2]"
1 71 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 SER 0.010 0.010 4 0 "[ . 1 . 2]"
1 73 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ILE 0.413 0.064 1 0 "[ . 1 . 2]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 0.751 0.053 1 0 "[ . 1 . 2]"
1 88 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ASN 0.751 0.053 1 0 "[ . 1 . 2]"
1 91 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ILE 0.001 0.001 3 0 "[ . 1 . 2]"
1 95 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ALA 0.300 0.047 8 0 "[ . 1 . 2]"
1 101 TYR 1.104 0.087 10 0 "[ . 1 . 2]"
1 102 GLN 0.592 0.047 8 0 "[ . 1 . 2]"
1 103 THR 0.292 0.037 13 0 "[ . 1 . 2]"
1 104 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 VAL 0.374 0.039 2 0 "[ . 1 . 2]"
1 107 VAL 0.730 0.087 10 0 "[ . 1 . 2]"
1 109 SER 0.058 0.032 5 0 "[ . 1 . 2]"
1 110 ARG 0.058 0.032 5 0 "[ . 1 . 2]"
1 112 ILE 0.010 0.010 18 0 "[ . 1 . 2]"
1 115 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 ARG 0.010 0.010 18 0 "[ . 1 . 2]"
1 117 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 GLN 0.026 0.011 14 0 "[ . 1 . 2]"
1 126 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ASN 0.043 0.012 12 0 "[ . 1 . 2]"
1 130 VAL 0.064 0.064 17 0 "[ . 1 . 2]"
1 131 TYR 0.081 0.064 17 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 62 LYS H 1 65 ALA MB 0.000 . 5.500 5.151 4.304 5.551 0.051 16 0 "[ . 1 . 2]" 2
2 1 59 THR MG 1 62 LYS H 0.000 . 4.500 3.844 1.845 4.512 0.012 2 0 "[ . 1 . 2]" 2
3 1 109 SER QB 1 110 ARG H 0.000 . 3.500 2.926 2.436 3.532 0.032 5 0 "[ . 1 . 2]" 2
4 1 62 LYS H 1 64 GLN H 0.000 . 4.500 3.940 3.688 4.522 0.022 19 0 "[ . 1 . 2]" 2
5 1 10 SER HA 1 64 GLN H 0.000 . 5.500 5.214 4.577 5.544 0.044 15 0 "[ . 1 . 2]" 2
6 1 63 LEU QB 1 64 GLN H 0.000 . 5.000 2.673 2.395 2.858 . 0 0 "[ . 1 . 2]" 2
7 1 3 GLY QA 1 4 GLN QB 0.000 . 5.500 4.360 3.885 4.734 . 0 0 "[ . 1 . 2]" 2
8 1 4 GLN HA 1 5 ALA MB 0.000 . 4.500 4.140 3.752 4.487 . 0 0 "[ . 1 . 2]" 2
9 1 4 GLN QB 1 5 ALA HA 0.000 . 5.500 4.449 4.017 4.787 . 0 0 "[ . 1 . 2]" 2
10 1 4 GLN HA 1 5 ALA HA 0.000 . 4.500 4.469 4.373 4.562 0.062 4 0 "[ . 1 . 2]" 2
11 1 4 GLN QB 1 5 ALA MB 0.000 . 5.500 3.906 3.108 4.676 . 0 0 "[ . 1 . 2]" 2
12 1 6 ASN HA 1 7 THR MG 0.000 . 5.500 4.991 4.369 5.473 . 0 0 "[ . 1 . 2]" 2
13 1 5 ALA MB 1 10 SER QB 0.000 . 5.500 2.637 1.937 3.719 . 0 0 "[ . 1 . 2]" 2
14 1 12 LYS QD 1 54 MET QG 0.000 . 5.000 3.805 2.698 4.176 . 0 0 "[ . 1 . 2]" 2
15 1 12 LYS QG 1 58 ILE MD 0.000 . 3.000 2.622 2.255 3.027 0.027 15 0 "[ . 1 . 2]" 2
16 1 14 ASN QB 1 15 ALA MB 0.000 . 5.500 3.912 3.705 4.046 . 0 0 "[ . 1 . 2]" 2
17 1 16 ASP HA 1 19 ILE HA 0.000 . 5.500 5.517 5.455 5.539 0.039 20 0 "[ . 1 . 2]" 2
18 1 16 ASP HA 1 19 ILE MD 0.000 . 4.500 4.094 2.909 4.551 0.051 15 0 "[ . 1 . 2]" 2
19 1 16 ASP QB 1 17 ALA HA 0.000 . 4.500 4.100 3.833 4.480 . 0 0 "[ . 1 . 2]" 2
20 1 16 ASP QB 1 17 ALA MB 0.000 . 5.500 3.991 3.639 4.599 . 0 0 "[ . 1 . 2]" 2
21 1 15 ALA MB 1 19 ILE MD 0.000 . 5.500 3.716 3.048 4.147 . 0 0 "[ . 1 . 2]" 2
22 1 19 ILE MG 1 44 GLY QA 0.000 . 5.500 2.110 1.754 2.572 . 0 0 "[ . 1 . 2]" 2
23 1 19 ILE HB 1 20 ASN HA 0.000 . 5.500 4.264 4.142 4.465 . 0 0 "[ . 1 . 2]" 2
24 1 20 ASN QB 1 21 SER HA 0.000 . 5.500 4.126 3.809 4.704 . 0 0 "[ . 1 . 2]" 2
25 1 19 ILE HA 1 22 PHE HA 0.000 . 5.500 5.430 5.282 5.533 0.033 5 0 "[ . 1 . 2]" 2
26 1 19 ILE HA 1 22 PHE QB 0.000 . 5.500 2.618 2.450 2.765 . 0 0 "[ . 1 . 2]" 2
27 1 23 ILE MD 1 44 GLY QA 0.000 . 5.500 3.418 2.612 4.339 . 0 0 "[ . 1 . 2]" 2
28 1 23 ILE HA 1 25 ALA MB 0.000 . 5.500 5.074 4.932 5.216 . 0 0 "[ . 1 . 2]" 2
29 1 27 SER QB 1 28 ASN HA 0.000 . 5.500 4.253 4.070 4.540 . 0 0 "[ . 1 . 2]" 2
30 1 29 THR HB 1 91 ALA MB 0.000 . 5.500 2.705 2.503 2.902 . 0 0 "[ . 1 . 2]" 2
31 1 29 THR MG 1 30 GLY QA 0.000 . 5.500 3.359 3.141 3.489 . 0 0 "[ . 1 . 2]" 2
32 1 30 GLY QA 1 31 SER HA 0.000 . 5.500 4.037 4.009 4.069 . 0 0 "[ . 1 . 2]" 2
33 1 32 PHE HA 1 33 SER QB 0.000 . 5.500 4.472 4.234 4.600 . 0 0 "[ . 1 . 2]" 2
34 1 35 ASP HA 1 38 GLU QG 0.000 . 5.500 4.111 2.700 5.247 . 0 0 "[ . 1 . 2]" 2
35 1 35 ASP QB 1 36 GLN HA 0.000 . 5.500 3.984 3.892 4.429 . 0 0 "[ . 1 . 2]" 2
36 1 32 PHE HA 1 36 GLN QB 0.000 . 5.500 2.623 2.311 2.820 . 0 0 "[ . 1 . 2]" 2
37 1 36 GLN QG 1 78 ALA HA 0.000 . 5.500 4.402 3.123 5.169 . 0 0 "[ . 1 . 2]" 2
38 1 51 MET HA 1 58 ILE MD 0.000 . 5.500 3.192 2.627 3.833 . 0 0 "[ . 1 . 2]" 2
39 1 52 ASP HA 1 54 MET QB 0.000 . 5.500 4.549 4.236 5.545 0.045 20 0 "[ . 1 . 2]" 2
40 1 54 MET QB 1 58 ILE MD 0.000 . 4.500 2.103 1.935 2.377 . 0 0 "[ . 1 . 2]" 2
41 1 54 MET QB 1 58 ILE QG 0.000 . 5.500 3.747 3.605 3.937 . 0 0 "[ . 1 . 2]" 2
42 1 54 MET ME 1 57 ARG QB 0.000 . 5.500 3.865 3.553 5.259 . 0 0 "[ . 1 . 2]" 2
43 1 54 MET ME 1 57 ARG QG 0.000 . 5.500 2.297 1.782 4.712 . 0 0 "[ . 1 . 2]" 2
44 1 57 ARG QB 1 58 ILE HA 0.000 . 5.500 4.608 4.536 4.659 . 0 0 "[ . 1 . 2]" 2
45 1 54 MET QG 1 58 ILE MD 0.000 . 4.500 1.781 1.666 1.917 . 0 0 "[ . 1 . 2]" 2
46 1 57 ARG HA 1 58 ILE MD 0.000 . 5.500 4.076 3.760 4.671 . 0 0 "[ . 1 . 2]" 2
47 1 54 MET QG 1 58 ILE QG 0.000 . 5.500 3.713 3.110 3.894 . 0 0 "[ . 1 . 2]" 2
48 1 9 TRP HA 1 63 LEU HG 0.000 . 5.500 4.655 3.382 5.567 0.067 15 0 "[ . 1 . 2]" 2
49 1 69 ALA HA 1 72 SER HA 0.000 . 5.500 5.339 5.078 5.510 0.010 4 0 "[ . 1 . 2]" 2
50 1 70 PHE HA 1 71 ALA MB 0.000 . 5.500 5.033 5.021 5.045 . 0 0 "[ . 1 . 2]" 2
51 1 71 ALA MB 1 115 ILE MD 0.000 . 4.500 1.961 1.577 2.573 . 0 0 "[ . 1 . 2]" 2
52 1 73 SER HA 1 77 ILE QG 0.000 . 5.500 3.791 3.321 4.178 . 0 0 "[ . 1 . 2]" 2
53 1 73 SER QB 1 74 VAL MG1 0.000 . 5.500 3.554 2.868 4.427 . 0 0 "[ . 1 . 2]" 2
54 1 74 VAL HA 1 77 ILE MD 0.000 . 4.500 2.544 1.937 3.125 . 0 0 "[ . 1 . 2]" 2
55 1 74 VAL HA 1 75 ALA HA 0.000 . 5.500 4.779 4.744 4.833 . 0 0 "[ . 1 . 2]" 2
56 1 74 VAL HA 1 77 ILE HB 0.000 . 5.500 2.882 2.669 3.125 . 0 0 "[ . 1 . 2]" 2
57 1 40 MET QB 1 77 ILE MD 0.000 . 5.500 3.504 3.098 4.050 . 0 0 "[ . 1 . 2]" 2
58 1 40 MET HA 1 77 ILE MG 0.000 . 5.500 3.626 2.777 4.481 . 0 0 "[ . 1 . 2]" 2
59 1 79 ALA HA 1 85 LEU QD 0.000 . 4.500 2.399 1.697 2.901 . 0 0 "[ . 1 . 2]" 2
60 1 80 SER QB 1 81 GLN QG 0.000 . 5.500 4.252 3.788 5.182 . 0 0 "[ . 1 . 2]" 2
61 1 78 ALA HA 1 81 GLN QB 0.000 . 5.500 3.561 2.552 3.776 . 0 0 "[ . 1 . 2]" 2
62 1 81 GLN QG 1 82 GLY QA 0.000 . 5.500 5.266 3.358 5.497 . 0 0 "[ . 1 . 2]" 2
63 1 84 ASP HA 1 85 LEU HA 0.000 . 5.500 4.491 4.423 4.646 . 0 0 "[ . 1 . 2]" 2
64 1 84 ASP HA 1 85 LEU QB 0.000 . 5.500 4.167 4.092 4.272 . 0 0 "[ . 1 . 2]" 2
65 1 84 ASP QB 1 87 VAL HB 0.000 . 4.500 2.998 2.160 3.971 . 0 0 "[ . 1 . 2]" 2
66 1 85 LEU HA 1 88 THR HB 0.000 . 4.500 3.070 2.259 3.851 . 0 0 "[ . 1 . 2]" 2
67 1 85 LEU QB 1 88 THR HB 0.000 . 5.500 4.501 3.613 5.253 . 0 0 "[ . 1 . 2]" 2
68 1 84 ASP QB 1 87 VAL QG 0.000 . 4.500 2.643 1.894 3.251 . 0 0 "[ . 1 . 2]" 2
69 1 86 GLY QA 1 87 VAL QG 0.000 . 5.500 4.114 3.785 4.257 . 0 0 "[ . 1 . 2]" 2
70 1 89 THR MG 1 116 ARG QD 0.000 . 4.500 2.575 1.713 3.553 . 0 0 "[ . 1 . 2]" 2
71 1 87 VAL HA 1 90 ASN HA 0.000 . 5.500 5.538 5.515 5.553 0.053 1 0 "[ . 1 . 2]" 2
72 1 88 THR HA 1 91 ALA HA 0.000 . 5.500 4.819 4.689 4.954 . 0 0 "[ . 1 . 2]" 2
73 1 22 PHE HA 1 95 ALA HA 0.000 . 5.500 3.373 3.100 3.673 . 0 0 "[ . 1 . 2]" 2
74 1 95 ALA MB 1 96 LEU QB 0.000 . 5.500 4.104 3.725 4.405 . 0 0 "[ . 1 . 2]" 2
75 1 96 LEU QD 1 115 ILE MD 0.000 . 5.500 1.908 1.546 3.842 . 0 0 "[ . 1 . 2]" 2
76 1 22 PHE QB 1 99 ALA MB 0.000 . 4.500 3.084 2.807 3.243 . 0 0 "[ . 1 . 2]" 2
77 1 6 ASN HA 1 104 THR MG 0.000 . 5.500 3.661 2.058 4.969 . 0 0 "[ . 1 . 2]" 2
78 1 71 ALA MB 1 115 ILE HA 0.000 . 5.500 3.189 2.748 3.546 . 0 0 "[ . 1 . 2]" 2
79 1 71 ALA HA 1 115 ILE MG 0.000 . 5.500 3.253 2.736 3.788 . 0 0 "[ . 1 . 2]" 2
80 1 85 LEU QD 1 119 ILE HB 0.000 . 5.500 3.345 2.694 3.761 . 0 0 "[ . 1 . 2]" 2
81 1 85 LEU HG 1 119 ILE MG 0.000 . 5.500 2.341 1.800 3.019 . 0 0 "[ . 1 . 2]" 2
82 1 85 LEU QB 1 123 ALA MB 0.000 . 5.500 2.942 2.518 3.707 . 0 0 "[ . 1 . 2]" 2
83 1 85 LEU HG 1 123 ALA MB 0.000 . 5.500 4.095 3.749 4.587 . 0 0 "[ . 1 . 2]" 2
84 1 85 LEU QD 1 88 THR HB 0.000 . 5.500 3.196 1.885 3.855 . 0 0 "[ . 1 . 2]" 2
85 1 30 GLY QA 1 91 ALA HA 0.000 . 4.500 3.490 3.200 3.688 . 0 0 "[ . 1 . 2]" 2
86 1 29 THR HA 1 30 GLY QA 0.000 . 4.500 4.341 4.325 4.374 . 0 0 "[ . 1 . 2]" 2
87 1 54 MET QB 1 56 GLY QA 0.000 . 5.500 3.985 3.741 4.415 . 0 0 "[ . 1 . 2]" 2
88 1 56 GLY QA 1 57 ARG QB 0.000 . 5.000 4.244 4.166 4.331 . 0 0 "[ . 1 . 2]" 2
89 1 97 THR HB 1 112 ILE QG 0.000 . 5.500 4.828 4.697 4.912 . 0 0 "[ . 1 . 2]" 2
90 1 97 THR HB 1 112 ILE MD 0.000 . 5.000 3.329 3.195 3.445 . 0 0 "[ . 1 . 2]" 2
91 1 112 ILE QG 1 116 ARG QD 0.000 . 5.000 3.846 2.483 5.010 0.010 18 0 "[ . 1 . 2]" 2
92 1 12 LYS QD 1 58 ILE MD 0.000 . 4.500 2.120 1.792 2.438 . 0 0 "[ . 1 . 2]" 2
93 1 43 ILE HA 1 46 THR HA 0.000 . 5.500 5.529 5.507 5.551 0.051 16 0 "[ . 1 . 2]" 2
94 1 99 ALA HA 1 102 GLN QG 0.000 . 4.500 3.244 3.180 3.315 . 0 0 "[ . 1 . 2]" 2
95 1 99 ALA MB 1 102 GLN QG 0.000 . 4.500 4.501 4.403 4.547 0.047 8 0 "[ . 1 . 2]" 2
96 1 102 GLN QG 1 103 THR MG 0.000 . 4.500 4.512 4.474 4.537 0.037 13 0 "[ . 1 . 2]" 2
97 1 17 ALA MB 1 102 GLN QB 0.000 . 5.500 4.379 3.755 4.978 . 0 0 "[ . 1 . 2]" 2
98 1 102 GLN QB 1 103 THR MG 0.000 . 5.500 2.791 2.680 2.953 . 0 0 "[ . 1 . 2]" 2
99 1 21 SER QB 1 102 GLN QB 0.000 . 4.500 3.238 2.923 3.605 . 0 0 "[ . 1 . 2]" 2
100 1 102 GLN QB 1 103 THR HA 0.000 . 4.500 4.076 4.046 4.108 . 0 0 "[ . 1 . 2]" 2
101 1 117 SER HA 1 120 GLY H 0.000 . 4.000 3.578 3.470 3.708 . 0 0 "[ . 1 . 2]" 2
102 1 126 SER H 1 128 ASN H 0.000 . 4.500 4.121 3.990 4.269 . 0 0 "[ . 1 . 2]" 2
103 1 126 SER HA 1 128 ASN H 0.000 . 4.000 3.776 3.578 3.952 . 0 0 "[ . 1 . 2]" 2
104 1 20 ASN QD 1 21 SER QB 0.000 . 5.500 4.672 2.539 5.339 . 0 0 "[ . 1 . 2]" 2
105 1 124 GLN HA 1 128 ASN H 0.000 . 5.500 5.322 4.592 5.511 0.011 14 0 "[ . 1 . 2]" 2
106 1 4 GLN QB 1 5 ALA H 0.000 . 3.500 2.870 2.606 3.432 . 0 0 "[ . 1 . 2]" 2
107 1 5 ALA MB 1 7 THR H 0.000 . 5.500 2.517 2.196 3.200 . 0 0 "[ . 1 . 2]" 2
108 1 7 THR H 1 9 TRP H 0.000 . 5.500 5.340 5.108 5.512 0.012 7 0 "[ . 1 . 2]" 2
109 1 9 TRP HE3 1 15 ALA MB 0.000 . 5.500 5.396 5.042 5.525 0.025 13 0 "[ . 1 . 2]" 2
110 1 29 THR HG1 1 30 GLY H 0.000 . 4.500 3.688 3.602 3.785 . 0 0 "[ . 1 . 2]" 2
111 1 29 THR H 1 32 PHE QD 0.000 . 4.500 4.127 3.953 4.306 . 0 0 "[ . 1 . 2]" 2
112 1 22 PHE QE 1 95 ALA H 0.000 . 5.000 4.582 4.251 4.896 . 0 0 "[ . 1 . 2]" 2
113 1 7 THR H 1 10 SER QB 0.000 . 5.000 2.827 2.314 4.076 . 0 0 "[ . 1 . 2]" 2
114 1 39 ASN HA 1 40 MET H 0.000 . 3.500 3.542 3.514 3.557 0.057 16 0 "[ . 1 . 2]" 2
115 1 40 MET H 1 77 ILE QG 0.000 . 5.000 4.431 3.827 5.025 0.025 1 0 "[ . 1 . 2]" 2
116 1 40 MET H 1 77 ILE MG 0.000 . 5.000 3.003 2.533 3.785 . 0 0 "[ . 1 . 2]" 2
117 1 23 ILE MG 1 40 MET H 0.000 . 5.000 4.744 4.487 4.963 . 0 0 "[ . 1 . 2]" 2
118 1 40 MET H 1 77 ILE MD 0.000 . 4.500 3.204 2.464 3.823 . 0 0 "[ . 1 . 2]" 2
119 1 65 ALA HA 1 68 MET H 0.000 . 4.500 3.766 3.563 4.128 . 0 0 "[ . 1 . 2]" 2
120 1 64 GLN HA 1 68 MET H 0.000 . 4.500 4.394 4.087 4.518 0.018 2 0 "[ . 1 . 2]" 2
121 1 73 SER QB 1 74 VAL H 0.000 . 3.500 2.642 2.343 3.321 . 0 0 "[ . 1 . 2]" 2
122 1 54 MET ME 1 57 ARG HA 0.000 . 4.500 4.488 3.827 4.579 0.079 10 0 "[ . 1 . 2]" 2
123 1 70 PHE HZ 1 96 LEU QD 0.000 . 4.500 4.113 3.742 4.429 . 0 0 "[ . 1 . 2]" 2
124 1 19 ILE MD 1 70 PHE HZ 0.000 . 4.500 3.701 3.179 4.518 0.018 4 0 "[ . 1 . 2]" 2
125 1 70 PHE QE 1 115 ILE MD 0.000 . 4.500 4.191 3.697 4.451 . 0 0 "[ . 1 . 2]" 2
126 1 101 TYR QE 1 106 VAL HB 0.000 . 5.500 5.518 5.494 5.539 0.039 2 0 "[ . 1 . 2]" 2
127 1 101 TYR QE 1 107 VAL HB 0.000 . 5.500 5.530 5.400 5.587 0.087 10 0 "[ . 1 . 2]" 2
128 1 128 ASN HA 1 131 TYR QE 0.000 . 5.500 5.061 3.286 5.512 0.012 12 0 "[ . 1 . 2]" 2
129 1 130 VAL QG 1 131 TYR QE 0.000 . 5.500 2.307 1.967 4.411 . 0 0 "[ . 1 . 2]" 2
130 1 22 PHE HZ 1 74 VAL QG 0.000 . 4.500 2.472 1.882 3.059 . 0 0 "[ . 1 . 2]" 2
131 1 130 VAL HB 1 131 TYR QD 0.000 . 4.500 3.522 2.309 4.564 0.064 17 0 "[ . 1 . 2]" 2
132 1 32 PHE HZ 1 92 ILE HA 0.000 . 4.500 4.247 3.941 4.501 0.001 3 0 "[ . 1 . 2]" 2
133 1 26 ALA MB 1 32 PHE HZ 0.000 . 4.000 3.721 3.278 4.010 0.010 5 0 "[ . 1 . 2]" 2
134 1 32 PHE HZ 1 88 THR MG 0.000 . 3.500 2.670 2.356 2.923 . 0 0 "[ . 1 . 2]" 2
135 1 32 PHE HZ 1 77 ILE MD 0.000 . 5.500 5.519 5.507 5.564 0.064 1 0 "[ . 1 . 2]" 2
136 1 32 PHE HZ 1 92 ILE MG 0.000 . 5.500 4.478 4.123 4.779 . 0 0 "[ . 1 . 2]" 2
137 1 32 PHE HZ 1 77 ILE MG 0.000 . 5.500 4.528 4.292 4.789 . 0 0 "[ . 1 . 2]" 2
138 1 19 ILE HB 1 45 ASN HA 0.000 . 4.000 3.757 3.323 4.024 0.024 12 0 "[ . 1 . 2]" 2
139 1 45 ASN HA 1 48 MET QB 0.000 . 4.500 3.450 2.923 3.885 . 0 0 "[ . 1 . 2]" 2
140 1 45 ASN HA 1 47 LEU QB 0.000 . 4.500 4.513 4.439 4.531 0.031 12 0 "[ . 1 . 2]" 2
141 1 23 ILE QG 1 45 ASN HA 0.000 . 5.500 5.293 4.597 5.505 0.005 12 0 "[ . 1 . 2]" 2
142 1 20 ASN H 1 45 ASN HA 0.000 . 5.500 5.436 5.269 5.515 0.015 1 0 "[ . 1 . 2]" 2
143 1 47 LEU H 1 48 MET HA 0.000 . 5.500 5.352 5.279 5.431 . 0 0 "[ . 1 . 2]" 2
144 1 48 MET HA 1 50 ALA MB 0.000 . 4.500 4.519 4.498 4.555 0.055 18 0 "[ . 1 . 2]" 2
145 1 47 LEU QB 1 48 MET HA 0.000 . 4.500 3.977 3.883 4.115 . 0 0 "[ . 1 . 2]" 2
146 1 48 MET HA 1 51 MET QB 0.000 . 4.500 3.215 2.274 3.696 . 0 0 "[ . 1 . 2]" 2
147 1 46 THR H 1 49 ALA MB 0.000 . 5.500 5.486 5.280 5.535 0.035 18 0 "[ . 1 . 2]" 2
148 1 49 ALA MB 1 50 ALA H 0.000 . 3.500 2.737 2.604 2.876 . 0 0 "[ . 1 . 2]" 2
149 1 49 ALA MB 1 52 ASP H 0.000 . 4.500 4.519 4.495 4.555 0.055 18 0 "[ . 1 . 2]" 2
150 1 49 ALA MB 1 50 ALA HA 0.000 . 4.500 3.790 3.714 3.880 . 0 0 "[ . 1 . 2]" 2
151 1 49 ALA MB 1 52 ASP QB 0.000 . 5.000 4.162 3.788 4.929 . 0 0 "[ . 1 . 2]" 2
152 1 46 THR MG 1 49 ALA MB 0.000 . 4.000 2.985 2.544 3.342 . 0 0 "[ . 1 . 2]" 2
153 1 4 GLN HA 1 5 ALA H 0.000 . 4.500 2.671 2.242 3.535 . 0 0 "[ . 1 . 2]" 2
154 1 11 SER QB 1 13 ALA H 0.000 . 3.500 3.110 2.726 3.437 . 0 0 "[ . 1 . 2]" 2
155 1 11 SER QB 1 14 ASN QB 0.000 . 4.500 2.346 1.758 3.618 . 0 0 "[ . 1 . 2]" 2
156 1 11 SER QB 1 13 ALA MB 0.000 . 4.000 3.512 3.146 3.829 . 0 0 "[ . 1 . 2]" 2
157 1 11 SER QB 1 12 LYS QB 0.000 . 5.500 4.546 4.175 4.971 . 0 0 "[ . 1 . 2]" 2
158 1 53 ASN QB 1 54 MET HA 0.000 . 5.000 3.966 3.860 4.100 . 0 0 "[ . 1 . 2]" 2
159 1 50 ALA MB 1 53 ASN QB 0.000 . 5.000 3.807 3.250 4.298 . 0 0 "[ . 1 . 2]" 2
160 1 50 ALA MB 1 54 MET QG 0.000 . 5.500 4.834 4.401 5.508 0.008 10 0 "[ . 1 . 2]" 2
161 1 12 LYS QB 1 54 MET QG 0.000 . 5.500 5.447 4.208 5.547 0.047 13 0 "[ . 1 . 2]" 2
162 1 54 MET QG 1 57 ARG H 0.000 . 4.500 4.141 3.321 4.391 . 0 0 "[ . 1 . 2]" 2
163 1 54 MET QG 1 58 ILE HB 0.000 . 5.500 5.288 4.984 5.530 0.030 10 0 "[ . 1 . 2]" 2
164 1 54 MET QG 1 58 ILE MG 0.000 . 5.500 3.520 3.070 4.362 . 0 0 "[ . 1 . 2]" 2
165 1 54 MET QG 1 63 LEU QD 0.000 . 5.500 4.366 3.592 5.413 . 0 0 "[ . 1 . 2]" 2
166 1 66 LEU HA 1 69 ALA MB 0.000 . 3.500 2.501 2.196 2.975 . 0 0 "[ . 1 . 2]" 2
167 1 66 LEU QD 1 69 ALA MB 0.000 . 5.500 3.101 2.153 4.523 . 0 0 "[ . 1 . 2]" 2
168 1 43 ILE MG 1 69 ALA MB 0.000 . 5.000 4.733 4.238 5.063 0.063 12 0 "[ . 1 . 2]" 2
169 1 58 ILE MD 1 66 LEU QD 0.000 . 5.500 4.737 3.890 5.130 . 0 0 "[ . 1 . 2]" 2
170 1 54 MET ME 1 58 ILE MD 0.000 . 3.000 2.529 2.053 2.904 . 0 0 "[ . 1 . 2]" 2
171 1 58 ILE MD 1 59 THR H 0.000 . 3.500 3.501 3.286 3.563 0.063 8 0 "[ . 1 . 2]" 2
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