NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
377528 |
1g9e   |
4628 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1g9e
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 1089
_Distance_constraint_stats_list.Viol_count 3590
_Distance_constraint_stats_list.Viol_total 3433.317
_Distance_constraint_stats_list.Viol_max 2.202
_Distance_constraint_stats_list.Viol_rms 0.0717
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0079
_Distance_constraint_stats_list.Viol_average_violations_only 0.0478
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 VAL 1.301 0.144 20 0 "[ . 1 . 2]"
1 3 GLN 0.189 0.021 10 0 "[ . 1 . 2]"
1 4 LEU 0.063 0.021 10 0 "[ . 1 . 2]"
1 5 GLN 0.057 0.012 11 0 "[ . 1 . 2]"
1 6 GLU 30.948 2.202 13 19 "[-***********+ ******]"
1 7 SER 0.820 0.068 14 0 "[ . 1 . 2]"
1 8 GLY 0.006 0.006 4 0 "[ . 1 . 2]"
1 9 GLY 2.716 0.143 4 0 "[ . 1 . 2]"
1 10 GLY 2.472 0.094 8 0 "[ . 1 . 2]"
1 11 LEU 6.131 0.105 11 0 "[ . 1 . 2]"
1 12 VAL 1.069 0.070 18 0 "[ . 1 . 2]"
1 13 GLN 1.511 0.127 4 0 "[ . 1 . 2]"
1 14 ALA 1.018 0.052 18 0 "[ . 1 . 2]"
1 15 GLY 0.263 0.034 3 0 "[ . 1 . 2]"
1 16 GLY 0.117 0.011 15 0 "[ . 1 . 2]"
1 17 SER 1.769 0.099 19 0 "[ . 1 . 2]"
1 18 LEU 1.982 0.068 5 0 "[ . 1 . 2]"
1 19 ARG 0.533 0.070 16 0 "[ . 1 . 2]"
1 20 LEU 1.988 0.083 16 0 "[ . 1 . 2]"
1 21 SER 1.957 0.083 16 0 "[ . 1 . 2]"
1 22 CYS 0.357 0.060 20 0 "[ . 1 . 2]"
1 23 ALA 0.262 0.030 5 0 "[ . 1 . 2]"
1 24 ALA 0.014 0.005 9 0 "[ . 1 . 2]"
1 25 SER 0.019 0.007 19 0 "[ . 1 . 2]"
1 26 GLY 0.003 0.003 17 0 "[ . 1 . 2]"
1 27 ARG 0.219 0.055 18 0 "[ . 1 . 2]"
1 28 THR 0.032 0.018 18 0 "[ . 1 . 2]"
1 29 GLY 0.747 0.047 18 0 "[ . 1 . 2]"
1 30 SER 0.378 0.059 10 0 "[ . 1 . 2]"
1 31 THR 0.176 0.059 10 0 "[ . 1 . 2]"
1 32 TYR 2.392 0.397 14 0 "[ . 1 . 2]"
1 33 ASP 0.054 0.029 1 0 "[ . 1 . 2]"
1 34 MET 1.547 0.067 1 0 "[ . 1 . 2]"
1 35 GLY 0.245 0.028 14 0 "[ . 1 . 2]"
1 36 TRP 6.289 0.100 1 0 "[ . 1 . 2]"
1 37 PHE 6.339 0.121 6 0 "[ . 1 . 2]"
1 38 ARG 3.400 0.139 12 0 "[ . 1 . 2]"
1 39 GLN 0.868 0.092 8 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PRO 2.462 0.130 10 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LYS 3.629 0.130 10 0 "[ . 1 . 2]"
1 44 GLU 1.015 0.066 8 0 "[ . 1 . 2]"
1 45 ARG 0.264 0.029 7 0 "[ . 1 . 2]"
1 46 GLU 0.895 0.042 14 0 "[ . 1 . 2]"
1 47 SER 3.842 0.129 12 0 "[ . 1 . 2]"
1 48 VAL 5.930 0.129 12 0 "[ . 1 . 2]"
1 49 ALA 0.225 0.030 2 0 "[ . 1 . 2]"
1 50 ALA 0.730 0.051 13 0 "[ . 1 . 2]"
1 51 ILE 2.192 0.191 1 0 "[ . 1 . 2]"
1 52 ASN 3.219 0.152 19 0 "[ . 1 . 2]"
1 53 TRP 1.729 0.137 11 0 "[ . 1 . 2]"
1 55 SER 0.029 0.011 3 0 "[ . 1 . 2]"
1 56 ALA 0.716 0.087 16 0 "[ . 1 . 2]"
1 57 ARG 1.141 0.125 9 0 "[ . 1 . 2]"
1 58 THR 1.223 0.125 9 0 "[ . 1 . 2]"
1 59 TYR 1.962 0.061 18 0 "[ . 1 . 2]"
1 60 TYR 1.684 0.109 5 0 "[ . 1 . 2]"
1 61 ALA 1.191 0.060 15 0 "[ . 1 . 2]"
1 62 SER 2.004 0.073 10 0 "[ . 1 . 2]"
1 63 SER 0.557 0.046 10 0 "[ . 1 . 2]"
1 64 VAL 1.255 0.060 15 0 "[ . 1 . 2]"
1 65 ARG 6.036 0.163 1 0 "[ . 1 . 2]"
1 66 GLY 2.779 0.163 1 0 "[ . 1 . 2]"
1 67 ARG 2.232 0.118 7 0 "[ . 1 . 2]"
1 68 PHE 0.505 0.033 19 0 "[ . 1 . 2]"
1 69 THR 0.851 0.052 15 0 "[ . 1 . 2]"
1 70 ILE 1.100 0.064 11 0 "[ . 1 . 2]"
1 71 SER 1.207 0.100 11 0 "[ . 1 . 2]"
1 72 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ASP 0.728 0.050 4 0 "[ . 1 . 2]"
1 74 ASN 0.002 0.002 12 0 "[ . 1 . 2]"
1 75 ALA 0.605 0.040 19 0 "[ . 1 . 2]"
1 76 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LYS 0.562 0.122 2 0 "[ . 1 . 2]"
1 78 THR 0.725 0.154 13 0 "[ . 1 . 2]"
1 79 VAL 1.772 0.098 13 0 "[ . 1 . 2]"
1 80 TYR 2.547 0.154 13 0 "[ . 1 . 2]"
1 81 LEU 1.759 0.071 12 0 "[ . 1 . 2]"
1 82 GLN 4.013 0.132 16 0 "[ . 1 . 2]"
1 83 MET 1.223 0.061 5 0 "[ . 1 . 2]"
1 84 ASN 3.194 0.142 2 0 "[ . 1 . 2]"
1 85 SER 0.672 0.032 13 0 "[ . 1 . 2]"
1 86 LEU 0.873 0.037 10 0 "[ . 1 . 2]"
1 87 LYS 28.933 2.114 18 14 "[ *** ***** * ** +*-]"
1 88 PRO 0.945 0.089 1 0 "[ . 1 . 2]"
1 89 GLU 0.945 0.089 1 0 "[ . 1 . 2]"
1 90 ASP 29.466 2.114 18 14 "[ *** ***** * ** +*-]"
1 91 THR 3.565 0.100 11 0 "[ . 1 . 2]"
1 92 ALA 1.002 0.047 18 0 "[ . 1 . 2]"
1 93 VAL 1.699 0.092 1 0 "[ . 1 . 2]"
1 94 TYR 3.574 0.158 15 0 "[ . 1 . 2]"
1 95 THR 1.052 0.045 20 0 "[ . 1 . 2]"
1 96 CYS 0.259 0.026 11 0 "[ . 1 . 2]"
1 97 GLY 0.400 0.028 14 0 "[ . 1 . 2]"
1 98 ALA 1.146 0.083 15 0 "[ . 1 . 2]"
1 99 GLY 1.013 0.083 15 0 "[ . 1 . 2]"
1 100 GLU 0.249 0.028 12 0 "[ . 1 . 2]"
1 101 GLY 0.100 0.017 5 0 "[ . 1 . 2]"
1 102 GLY 0.509 0.029 17 0 "[ . 1 . 2]"
1 103 THR 4.292 0.131 15 0 "[ . 1 . 2]"
1 104 TRP 1.921 0.088 12 0 "[ . 1 . 2]"
1 105 ASP 1.911 0.104 19 0 "[ . 1 . 2]"
1 106 SER 0.567 0.045 8 0 "[ . 1 . 2]"
1 107 TRP 1.149 0.033 11 0 "[ . 1 . 2]"
1 108 GLY 0.757 0.031 14 0 "[ . 1 . 2]"
1 109 GLN 30.507 2.202 13 19 "[-***********+ ******]"
1 110 GLY 0.242 0.031 11 0 "[ . 1 . 2]"
1 111 THR 0.906 0.050 15 0 "[ . 1 . 2]"
1 112 GLN 2.928 0.140 14 0 "[ . 1 . 2]"
1 113 VAL 3.245 0.105 11 0 "[ . 1 . 2]"
1 114 THR 0.940 0.038 7 0 "[ . 1 . 2]"
1 115 VAL 1.863 0.138 14 0 "[ . 1 . 2]"
1 116 SER 1.860 0.138 14 0 "[ . 1 . 2]"
1 117 SER 0.337 0.055 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLN QB 1 2 VAL H 4.400 . 4.400 2.772 1.941 3.916 . 0 0 "[ . 1 . 2]" 1
2 1 2 VAL H 1 2 VAL HB 3.400 . 3.400 3.458 3.317 3.544 0.144 20 0 "[ . 1 . 2]" 1
3 1 2 VAL HA 1 3 GLN H 2.400 . 2.400 2.325 2.257 2.413 0.013 10 0 "[ . 1 . 2]" 1
4 1 2 VAL HB 1 3 GLN H 2.800 . 2.800 2.766 2.620 2.816 0.016 10 0 "[ . 1 . 2]" 1
5 1 2 VAL QG 1 3 GLN H 4.900 . 4.900 2.902 2.355 3.306 . 0 0 "[ . 1 . 2]" 1
6 1 2 VAL QG 1 25 SER H 6.700 . 6.700 3.844 2.336 4.969 . 0 0 "[ . 1 . 2]" 1
7 1 2 VAL QG 1 27 ARG H 7.700 . 7.700 3.497 1.901 5.644 . 0 0 "[ . 1 . 2]" 1
8 1 2 VAL QG 1 28 THR HA 6.400 . 6.400 4.593 3.570 4.766 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLN H 1 3 GLN HB2 3.900 . 3.900 3.132 2.283 3.909 0.009 1 0 "[ . 1 . 2]" 1
10 1 3 GLN H 1 3 GLN QB 3.700 . 3.700 2.751 2.253 3.258 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLN H 1 3 GLN HB3 3.900 . 3.900 3.450 2.721 3.866 . 0 0 "[ . 1 . 2]" 1
12 1 3 GLN H 1 3 GLN QG 4.300 . 4.300 2.897 1.984 3.836 . 0 0 "[ . 1 . 2]" 1
13 1 3 GLN H 1 25 SER H 4.000 . 4.000 3.509 2.625 4.007 0.007 19 0 "[ . 1 . 2]" 1
14 1 3 GLN HA 1 3 GLN HB2 3.000 . 3.000 2.756 2.282 3.015 0.015 8 0 "[ . 1 . 2]" 1
15 1 3 GLN HA 1 3 GLN HB3 3.000 . 3.000 2.542 2.362 2.968 . 0 0 "[ . 1 . 2]" 1
16 1 3 GLN HA 1 4 LEU H 2.600 . 2.600 2.400 2.202 2.607 0.007 15 0 "[ . 1 . 2]" 1
17 1 3 GLN QB 1 4 LEU H 3.600 . 3.600 2.485 2.047 3.266 . 0 0 "[ . 1 . 2]" 1
18 1 3 GLN HB2 1 4 LEU H 4.000 . 4.000 3.248 2.174 4.021 0.021 10 0 "[ . 1 . 2]" 1
19 1 3 GLN HB3 1 4 LEU H 4.000 . 4.000 3.055 2.060 4.004 0.004 19 0 "[ . 1 . 2]" 1
20 1 3 GLN QG 1 4 LEU H 4.600 . 4.600 3.683 2.407 4.103 . 0 0 "[ . 1 . 2]" 1
21 1 4 LEU H 1 4 LEU QB 3.800 . 3.800 2.745 2.457 2.882 . 0 0 "[ . 1 . 2]" 1
22 1 4 LEU H 1 4 LEU QD . . 4.500 2.954 2.419 3.342 . 0 0 "[ . 1 . 2]" 1
23 1 4 LEU H 1 4 LEU HG 4.100 . 4.100 3.853 3.433 4.111 0.011 15 0 "[ . 1 . 2]" 1
24 1 4 LEU HA 1 4 LEU HG 3.000 . 3.000 2.381 2.231 2.616 . 0 0 "[ . 1 . 2]" 1
25 1 4 LEU HA 1 5 GLN H 3.000 . 3.000 2.250 2.136 2.602 . 0 0 "[ . 1 . 2]" 1
26 1 4 LEU QD 1 24 ALA HA 5.300 . 5.300 3.417 2.625 3.934 . 0 0 "[ . 1 . 2]" 1
27 1 4 LEU QD 1 98 ALA H 6.400 . 6.400 2.930 2.433 3.259 . 0 0 "[ . 1 . 2]" 1
28 1 4 LEU QD 1 98 ALA MB 6.500 . 6.500 2.103 1.807 2.595 . 0 0 "[ . 1 . 2]" 1
29 1 4 LEU QD 1 106 SER HB2 4.800 . 4.800 3.454 2.602 3.566 . 0 0 "[ . 1 . 2]" 1
30 1 4 LEU QD 1 106 SER QB 3.800 . 3.800 2.254 2.077 2.545 . 0 0 "[ . 1 . 2]" 1
31 1 4 LEU QD 1 106 SER HB3 4.800 . 4.800 2.351 2.095 3.397 . 0 0 "[ . 1 . 2]" 1
32 1 4 LEU QD 1 107 TRP H 6.600 . 6.600 3.056 2.503 4.053 . 0 0 "[ . 1 . 2]" 1
33 1 4 LEU QD 1 107 TRP HA 5.000 . 5.000 3.086 2.635 3.661 . 0 0 "[ . 1 . 2]" 1
34 1 4 LEU QD 1 108 GLY H 5.900 . 5.900 3.695 3.309 4.176 . 0 0 "[ . 1 . 2]" 1
35 1 4 LEU HG 1 5 GLN H 4.600 . 4.600 4.326 4.103 4.600 . 0 0 "[ . 1 . 2]" 1
36 1 5 GLN H 1 5 GLN QB 3.700 . 3.700 2.766 2.325 3.296 . 0 0 "[ . 1 . 2]" 1
37 1 5 GLN H 1 5 GLN QG 4.700 . 4.700 3.307 2.144 4.210 . 0 0 "[ . 1 . 2]" 1
38 1 5 GLN H 1 23 ALA O 2.500 . 2.500 2.354 2.074 2.512 0.012 11 0 "[ . 1 . 2]" 1
39 1 5 GLN O 1 23 ALA H 2.500 . 2.500 2.232 1.868 2.509 0.009 10 0 "[ . 1 . 2]" 1
40 1 6 GLU H 1 6 GLU HB2 3.800 . 3.800 3.102 2.834 3.400 . 0 0 "[ . 1 . 2]" 1
41 1 6 GLU H 1 6 GLU QB 3.500 . 3.500 2.945 2.752 3.125 . 0 0 "[ . 1 . 2]" 1
42 1 6 GLU H 1 6 GLU HB3 3.800 . 3.800 3.710 3.554 3.835 0.035 14 0 "[ . 1 . 2]" 1
43 1 6 GLU HA 1 6 GLU HB2 3.000 . 3.000 2.924 2.810 3.006 0.006 14 0 "[ . 1 . 2]" 1
44 1 6 GLU HA 1 6 GLU QB 2.700 . 2.700 2.195 2.150 2.281 . 0 0 "[ . 1 . 2]" 1
45 1 6 GLU HA 1 6 GLU HB3 3.000 . 3.000 2.269 2.232 2.363 . 0 0 "[ . 1 . 2]" 1
46 1 6 GLU HA 1 7 SER H 2.400 . 2.400 2.417 2.401 2.468 0.068 14 0 "[ . 1 . 2]" 1
47 1 6 GLU HA 1 22 CYS HA 2.500 . 2.500 2.293 2.127 2.469 . 0 0 "[ . 1 . 2]" 1
48 1 6 GLU HA 1 22 CYS QB 6.000 . 6.000 3.293 2.356 3.859 . 0 0 "[ . 1 . 2]" 1
49 1 6 GLU HA 1 23 ALA H 3.800 . 3.800 3.803 3.750 3.830 0.030 5 0 "[ . 1 . 2]" 1
50 1 6 GLU HA 1 36 TRP HH2 3.500 . 3.500 3.365 3.128 3.514 0.014 11 0 "[ . 1 . 2]" 1
51 1 6 GLU QB 1 7 SER H 2.900 . 2.900 2.506 2.223 2.589 . 0 0 "[ . 1 . 2]" 1
52 1 6 GLU QB 1 36 TRP HH2 3.700 . 3.700 2.466 2.176 2.854 . 0 0 "[ . 1 . 2]" 1
53 1 6 GLU QB 1 111 THR HB 3.100 . 3.100 2.646 2.350 2.786 . 0 0 "[ . 1 . 2]" 1
54 1 6 GLU QB 1 111 THR HG1 5.100 . 5.100 2.566 2.336 2.804 . 0 0 "[ . 1 . 2]" 1
55 1 6 GLU HB2 1 7 SER H 3.100 . 3.100 2.966 2.701 3.144 0.044 14 0 "[ . 1 . 2]" 1
56 1 6 GLU HB2 1 36 TRP HH2 4.300 . 4.300 4.027 3.527 4.313 0.013 15 0 "[ . 1 . 2]" 1
57 1 6 GLU HB2 1 111 THR HB 3.500 . 3.500 2.744 2.387 2.940 . 0 0 "[ . 1 . 2]" 1
58 1 6 GLU HB3 1 7 SER H 3.100 . 3.100 2.761 2.273 3.108 0.008 12 0 "[ . 1 . 2]" 1
59 1 6 GLU HB3 1 36 TRP HH2 4.300 . 4.300 2.490 2.197 2.897 . 0 0 "[ . 1 . 2]" 1
60 1 6 GLU HB3 1 111 THR HB 3.500 . 3.500 3.505 3.453 3.520 0.020 1 0 "[ . 1 . 2]" 1
61 1 6 GLU QG 1 36 TRP HH2 5.700 . 5.700 4.096 3.173 4.889 . 0 0 "[ . 1 . 2]" 1
62 1 6 GLU QG 1 36 TRP HZ3 5.700 . 5.700 3.427 2.423 4.315 . 0 0 "[ . 1 . 2]" 1
63 1 6 GLU QG 1 111 THR HG1 5.800 . 5.800 2.521 1.987 2.980 . 0 0 "[ . 1 . 2]" 1
64 1 6 GLU OE1 1 109 GLN H 2.500 . 2.500 3.997 2.511 4.702 2.202 13 19 "[-***********+ ******]" 1
65 1 7 SER H 1 7 SER QB 3.700 . 3.700 2.924 2.765 3.305 . 0 0 "[ . 1 . 2]" 1
66 1 7 SER H 1 21 SER H 2.800 . 2.800 2.811 2.670 2.841 0.041 20 0 "[ . 1 . 2]" 1
67 1 7 SER H 1 22 CYS HA 4.300 . 4.300 3.868 3.592 4.125 . 0 0 "[ . 1 . 2]" 1
68 1 7 SER H 1 36 TRP HH2 4.900 . 4.900 3.263 3.015 3.601 . 0 0 "[ . 1 . 2]" 1
69 1 7 SER QB 1 8 GLY H 4.300 . 4.300 3.563 3.135 3.838 . 0 0 "[ . 1 . 2]" 1
70 1 7 SER O 1 21 SER H 2.500 . 2.500 2.140 1.803 2.503 0.003 11 0 "[ . 1 . 2]" 1
71 1 8 GLY H 1 9 GLY H 3.000 . 3.000 2.703 2.326 3.006 0.006 4 0 "[ . 1 . 2]" 1
72 1 9 GLY H 1 9 GLY HA2 2.700 . 2.700 2.748 2.722 2.843 0.143 4 0 "[ . 1 . 2]" 1
73 1 9 GLY H 1 9 GLY HA3 2.700 . 2.700 2.330 2.277 2.756 0.056 3 0 "[ . 1 . 2]" 1
74 1 9 GLY H 1 10 GLY H 4.500 . 4.500 4.538 4.249 4.594 0.094 8 0 "[ . 1 . 2]" 1
75 1 9 GLY H 1 20 LEU QD 5.300 . 5.300 2.949 2.507 3.939 . 0 0 "[ . 1 . 2]" 1
76 1 9 GLY QA 1 20 LEU QD 5.700 . 5.700 1.848 1.780 2.067 0.020 2 0 "[ . 1 . 2]" 1
77 1 9 GLY QA 1 111 THR HG1 4.300 . 4.300 2.183 1.889 2.580 . 0 0 "[ . 1 . 2]" 1
78 1 9 GLY QA 1 113 VAL QG 5.800 . 5.800 3.477 3.029 3.836 . 0 0 "[ . 1 . 2]" 1
79 1 9 GLY HA2 1 10 GLY H 3.000 . 3.000 2.237 2.147 2.630 . 0 0 "[ . 1 . 2]" 1
80 1 9 GLY HA2 1 20 LEU QD 7.300 . 7.300 1.908 1.806 2.334 . 0 0 "[ . 1 . 2]" 1
81 1 9 GLY HA2 1 111 THR HG1 4.700 . 4.700 3.410 3.063 3.739 . 0 0 "[ . 1 . 2]" 1
82 1 9 GLY HA2 1 113 VAL QG 6.000 . 6.000 3.816 3.259 4.396 . 0 0 "[ . 1 . 2]" 1
83 1 9 GLY HA3 1 10 GLY H 3.000 . 3.000 2.928 2.479 3.038 0.038 20 0 "[ . 1 . 2]" 1
84 1 9 GLY HA3 1 20 LEU QD 7.300 . 7.300 2.632 2.190 3.069 . 0 0 "[ . 1 . 2]" 1
85 1 9 GLY HA3 1 111 THR HG1 4.700 . 4.700 2.213 1.907 2.651 . 0 0 "[ . 1 . 2]" 1
86 1 9 GLY HA3 1 113 VAL QG 6.000 . 6.000 4.029 3.600 4.432 . 0 0 "[ . 1 . 2]" 1
87 1 10 GLY H 1 11 LEU H 4.300 . 4.300 4.337 4.303 4.380 0.080 2 0 "[ . 1 . 2]" 1
88 1 10 GLY H 1 18 LEU HG 4.600 . 4.600 4.456 4.055 4.612 0.012 8 0 "[ . 1 . 2]" 1
89 1 10 GLY QA 1 11 LEU H 2.500 . 2.500 2.238 2.195 2.260 . 0 0 "[ . 1 . 2]" 1
90 1 10 GLY HA2 1 11 LEU H 2.800 . 2.800 2.667 2.378 2.843 0.043 3 0 "[ . 1 . 2]" 1
91 1 10 GLY HA3 1 11 LEU H 2.800 . 2.800 2.443 2.284 2.751 . 0 0 "[ . 1 . 2]" 1
92 1 11 LEU H 1 11 LEU HA 2.700 . 2.700 2.804 2.803 2.805 0.105 11 0 "[ . 1 . 2]" 1
93 1 11 LEU H 1 11 LEU QB 3.500 . 3.500 2.502 2.473 2.525 . 0 0 "[ . 1 . 2]" 1
94 1 11 LEU H 1 11 LEU HG 2.400 . 2.400 2.454 2.445 2.465 0.065 8 0 "[ . 1 . 2]" 1
95 1 11 LEU H 1 12 VAL H 5.000 . 5.000 4.597 4.501 4.618 . 0 0 "[ . 1 . 2]" 1
96 1 11 LEU HA 1 11 LEU HG 2.400 . 2.400 2.486 2.467 2.495 0.095 14 0 "[ . 1 . 2]" 1
97 1 11 LEU HA 1 12 VAL H 2.400 . 2.400 2.258 2.142 2.344 . 0 0 "[ . 1 . 2]" 1
98 1 11 LEU HA 1 114 THR H 2.900 . 2.900 2.322 1.994 2.877 . 0 0 "[ . 1 . 2]" 1
99 1 11 LEU HA 1 114 THR HB 2.400 . 2.400 2.217 1.983 2.424 0.024 11 0 "[ . 1 . 2]" 1
100 1 11 LEU QB 1 12 VAL H 4.700 . 4.700 2.785 2.573 3.190 . 0 0 "[ . 1 . 2]" 1
101 1 11 LEU QB 1 114 THR HB 5.500 . 5.500 2.584 2.243 2.889 . 0 0 "[ . 1 . 2]" 1
102 1 11 LEU QD 1 114 THR H 6.600 . 6.600 3.827 3.527 4.057 . 0 0 "[ . 1 . 2]" 1
103 1 11 LEU QD 1 114 THR HB 4.800 . 4.800 1.998 1.904 2.170 . 0 0 "[ . 1 . 2]" 1
104 1 11 LEU HG 1 12 VAL H 4.500 . 4.500 4.506 4.473 4.553 0.053 18 0 "[ . 1 . 2]" 1
105 1 11 LEU HG 1 114 THR HB 2.600 . 2.600 2.570 2.211 2.620 0.020 10 0 "[ . 1 . 2]" 1
106 1 12 VAL H 1 12 VAL HB 3.700 . 3.700 3.448 3.288 3.770 0.070 18 0 "[ . 1 . 2]" 1
107 1 12 VAL H 1 13 GLN H 5.000 . 5.000 4.009 3.692 4.411 . 0 0 "[ . 1 . 2]" 1
108 1 12 VAL H 1 114 THR H 4.100 . 4.100 3.585 3.175 4.106 0.006 11 0 "[ . 1 . 2]" 1
109 1 12 VAL H 1 114 THR HB 3.700 . 3.700 3.289 2.959 3.700 0.000 4 0 "[ . 1 . 2]" 1
110 1 12 VAL H 1 114 THR O 2.000 . 2.000 1.918 1.791 2.017 0.017 9 0 "[ . 1 . 2]" 1
111 1 12 VAL H 1 115 VAL QG 7.100 . 7.100 3.780 3.040 4.190 . 0 0 "[ . 1 . 2]" 1
112 1 12 VAL HA 1 12 VAL HB 2.400 . 2.400 2.434 2.425 2.453 0.053 18 0 "[ . 1 . 2]" 1
113 1 12 VAL HA 1 13 GLN H 2.400 . 2.400 2.158 2.146 2.199 . 0 0 "[ . 1 . 2]" 1
114 1 12 VAL HB 1 13 GLN H 4.400 . 4.400 4.222 2.947 4.413 0.013 17 0 "[ . 1 . 2]" 1
115 1 12 VAL QG 1 13 GLN H 4.800 . 4.800 2.724 2.220 3.436 . 0 0 "[ . 1 . 2]" 1
116 1 12 VAL QG 1 16 GLY H 6.500 . 6.500 3.257 2.797 4.257 . 0 0 "[ . 1 . 2]" 1
117 1 12 VAL QG 1 17 SER H 5.800 . 5.800 3.728 2.803 4.305 . 0 0 "[ . 1 . 2]" 1
118 1 12 VAL QG 1 115 VAL HA 5.600 . 5.600 3.317 2.781 4.075 . 0 0 "[ . 1 . 2]" 1
119 1 12 VAL N 1 114 THR O 3.000 . 3.000 2.850 2.680 2.985 . 0 0 "[ . 1 . 2]" 1
120 1 13 GLN H 1 13 GLN HB2 3.400 . 3.400 2.734 2.052 3.527 0.127 4 0 "[ . 1 . 2]" 1
121 1 13 GLN H 1 13 GLN QB 2.900 . 2.900 2.161 2.029 2.596 . 0 0 "[ . 1 . 2]" 1
122 1 13 GLN H 1 13 GLN HB3 3.400 . 3.400 2.870 2.057 3.524 0.124 2 0 "[ . 1 . 2]" 1
123 1 13 GLN H 1 13 GLN QG 3.900 . 3.900 2.975 1.948 3.510 . 0 0 "[ . 1 . 2]" 1
124 1 13 GLN HA 1 13 GLN HB2 2.900 . 2.900 2.645 2.238 2.992 0.092 2 0 "[ . 1 . 2]" 1
125 1 13 GLN HA 1 13 GLN QB 2.700 . 2.700 2.337 2.164 2.520 . 0 0 "[ . 1 . 2]" 1
126 1 13 GLN HA 1 13 GLN HB3 2.900 . 2.900 2.665 2.356 2.898 . 0 0 "[ . 1 . 2]" 1
127 1 13 GLN HA 1 14 ALA H 2.400 . 2.400 2.249 2.153 2.355 . 0 0 "[ . 1 . 2]" 1
128 1 13 GLN HA 1 14 ALA MB 4.900 . 4.900 4.039 3.934 4.101 . 0 0 "[ . 1 . 2]" 1
129 1 13 GLN HA 1 115 VAL QG 6.300 . 6.300 3.424 2.015 4.288 . 0 0 "[ . 1 . 2]" 1
130 1 13 GLN QB 1 14 ALA H 4.300 . 4.300 2.980 2.613 3.536 . 0 0 "[ . 1 . 2]" 1
131 1 13 GLN O 1 16 GLY H 2.500 . 2.500 2.263 1.897 2.506 0.006 7 0 "[ . 1 . 2]" 1
132 1 14 ALA H 1 14 ALA HA 2.700 . 2.700 2.739 2.721 2.752 0.052 18 0 "[ . 1 . 2]" 1
133 1 14 ALA H 1 14 ALA MB 3.400 . 3.400 2.099 2.023 2.225 . 0 0 "[ . 1 . 2]" 1
134 1 14 ALA H 1 15 GLY H 4.600 . 4.600 4.584 4.502 4.634 0.034 3 0 "[ . 1 . 2]" 1
135 1 14 ALA H 1 115 VAL QG 5.500 . 5.500 2.923 1.993 3.666 . 0 0 "[ . 1 . 2]" 1
136 1 14 ALA H 1 116 SER H 4.300 . 4.300 2.850 1.977 3.872 . 0 0 "[ . 1 . 2]" 1
137 1 14 ALA HA 1 15 GLY H 2.400 . 2.400 2.209 2.149 2.303 . 0 0 "[ . 1 . 2]" 1
138 1 14 ALA HA 1 16 GLY H 3.500 . 3.500 3.338 3.148 3.508 0.008 18 0 "[ . 1 . 2]" 1
139 1 14 ALA HA 1 115 VAL QG 5.000 . 5.000 2.290 1.928 2.695 . 0 0 "[ . 1 . 2]" 1
140 1 14 ALA MB 1 15 GLY H 4.000 . 4.000 2.956 2.641 3.241 . 0 0 "[ . 1 . 2]" 1
141 1 14 ALA MB 1 87 LYS HA 4.900 . 4.900 3.321 2.215 4.075 . 0 0 "[ . 1 . 2]" 1
142 1 14 ALA MB 1 117 SER HA 3.800 . 3.800 2.693 1.897 3.172 . 0 0 "[ . 1 . 2]" 1
143 1 15 GLY H 1 16 GLY H 2.700 . 2.700 2.531 2.231 2.705 0.005 9 0 "[ . 1 . 2]" 1
144 1 15 GLY H 1 86 LEU H 3.800 . 3.800 3.569 3.017 3.814 0.014 20 0 "[ . 1 . 2]" 1
145 1 15 GLY H 1 115 VAL QG 6.300 . 6.300 3.703 2.961 4.364 . 0 0 "[ . 1 . 2]" 1
146 1 16 GLY H 1 17 SER H 4.700 . 4.700 4.337 4.120 4.533 . 0 0 "[ . 1 . 2]" 1
147 1 16 GLY H 1 86 LEU H 4.000 . 4.000 3.821 3.033 4.011 0.011 15 0 "[ . 1 . 2]" 1
148 1 16 GLY QA 1 17 SER H 3.000 . 3.000 2.160 2.111 2.280 . 0 0 "[ . 1 . 2]" 1
149 1 17 SER H 1 17 SER HA 2.900 . 2.900 2.872 2.829 2.936 0.036 9 0 "[ . 1 . 2]" 1
150 1 17 SER H 1 17 SER HB2 3.500 . 3.500 3.003 2.150 3.572 0.072 10 0 "[ . 1 . 2]" 1
151 1 17 SER H 1 17 SER QB 3.000 . 3.000 2.493 2.120 2.714 . 0 0 "[ . 1 . 2]" 1
152 1 17 SER H 1 17 SER HB3 3.500 . 3.500 2.927 2.168 3.565 0.065 19 0 "[ . 1 . 2]" 1
153 1 17 SER H 1 18 LEU H 4.600 . 4.600 4.480 4.311 4.599 . 0 0 "[ . 1 . 2]" 1
154 1 17 SER H 1 86 LEU QD 6.900 . 6.900 4.982 4.457 5.125 . 0 0 "[ . 1 . 2]" 1
155 1 17 SER HA 1 17 SER HB2 2.900 . 2.900 2.621 2.284 2.999 0.099 19 0 "[ . 1 . 2]" 1
156 1 17 SER HA 1 17 SER HB3 2.900 . 2.900 2.733 2.306 2.994 0.094 18 0 "[ . 1 . 2]" 1
157 1 17 SER HA 1 18 LEU H 2.400 . 2.400 2.185 2.142 2.226 . 0 0 "[ . 1 . 2]" 1
158 1 17 SER HA 1 84 ASN H 4.800 . 4.800 4.403 4.255 4.573 . 0 0 "[ . 1 . 2]" 1
159 1 17 SER HA 1 84 ASN HA 2.700 . 2.700 1.979 1.906 2.165 . 0 0 "[ . 1 . 2]" 1
160 1 17 SER HA 1 85 SER H 3.900 . 3.900 3.796 3.563 3.907 0.007 12 0 "[ . 1 . 2]" 1
161 1 17 SER HA 1 86 LEU H 4.000 . 4.000 3.788 3.446 3.997 . 0 0 "[ . 1 . 2]" 1
162 1 17 SER HA 1 86 LEU QD 5.100 . 5.100 3.211 2.885 3.386 . 0 0 "[ . 1 . 2]" 1
163 1 17 SER QB 1 18 LEU H 4.000 . 4.000 3.333 2.961 3.579 . 0 0 "[ . 1 . 2]" 1
164 1 17 SER QB 1 82 GLN QE 4.600 . 4.600 3.573 2.852 3.664 . 0 0 "[ . 1 . 2]" 1
165 1 17 SER HB2 1 18 LEU H 4.300 . 4.300 3.912 3.196 4.323 0.023 4 0 "[ . 1 . 2]" 1
166 1 17 SER HB2 1 82 GLN HE21 5.900 . 5.900 4.638 3.606 5.918 0.018 2 0 "[ . 1 . 2]" 1
167 1 17 SER HB2 1 82 GLN HE22 5.900 . 5.900 5.046 3.705 5.803 . 0 0 "[ . 1 . 2]" 1
168 1 17 SER HB2 1 84 ASN HA 4.400 . 4.400 2.842 1.957 3.909 . 0 0 "[ . 1 . 2]" 1
169 1 17 SER HB3 1 18 LEU H 4.300 . 4.300 3.792 3.103 4.314 0.014 17 0 "[ . 1 . 2]" 1
170 1 17 SER HB3 1 82 GLN HE21 5.900 . 5.900 4.594 3.934 5.674 . 0 0 "[ . 1 . 2]" 1
171 1 17 SER HB3 1 82 GLN HE22 5.900 . 5.900 4.920 3.040 5.911 0.011 10 0 "[ . 1 . 2]" 1
172 1 17 SER HB3 1 84 ASN HA 4.400 . 4.400 3.138 1.981 3.920 . 0 0 "[ . 1 . 2]" 1
173 1 18 LEU H 1 18 LEU QB 3.600 . 3.600 2.520 2.401 2.633 . 0 0 "[ . 1 . 2]" 1
174 1 18 LEU H 1 18 LEU HG 4.400 . 4.400 4.439 4.423 4.468 0.068 5 0 "[ . 1 . 2]" 1
175 1 18 LEU H 1 19 ARG H 4.500 . 4.500 4.351 4.237 4.442 . 0 0 "[ . 1 . 2]" 1
176 1 18 LEU H 1 83 MET H 3.300 . 3.300 3.308 3.228 3.342 0.042 5 0 "[ . 1 . 2]" 1
177 1 18 LEU H 1 83 MET QB 5.600 . 5.600 2.981 2.789 3.229 . 0 0 "[ . 1 . 2]" 1
178 1 18 LEU H 1 83 MET O 2.000 . 2.000 2.002 1.949 2.026 0.026 11 0 "[ . 1 . 2]" 1
179 1 18 LEU H 1 84 ASN HA 3.900 . 3.900 3.407 3.285 3.529 . 0 0 "[ . 1 . 2]" 1
180 1 18 LEU HA 1 18 LEU HG 2.800 . 2.800 2.807 2.772 2.844 0.044 11 0 "[ . 1 . 2]" 1
181 1 18 LEU HA 1 19 ARG H 2.400 . 2.400 2.186 2.154 2.283 . 0 0 "[ . 1 . 2]" 1
182 1 18 LEU QB 1 20 LEU QD 6.000 . 6.000 3.333 3.171 3.495 . 0 0 "[ . 1 . 2]" 1
183 1 18 LEU QB 1 83 MET H 5.100 . 5.100 3.811 3.341 4.229 . 0 0 "[ . 1 . 2]" 1
184 1 18 LEU HG 1 19 ARG H 2.600 . 2.600 2.542 2.095 2.629 0.029 16 0 "[ . 1 . 2]" 1
185 1 18 LEU HG 1 20 LEU QD . . 3.900 2.005 1.916 2.493 . 0 0 "[ . 1 . 2]" 1
186 1 18 LEU N 1 83 MET O 3.000 . 3.000 2.941 2.895 2.967 . 0 0 "[ . 1 . 2]" 1
187 1 18 LEU O 1 83 MET H 2.000 . 2.000 1.800 1.768 1.919 0.032 7 0 "[ . 1 . 2]" 1
188 1 18 LEU O 1 83 MET N 3.000 . 3.000 2.627 2.536 2.725 . 0 0 "[ . 1 . 2]" 1
189 1 19 ARG H 1 19 ARG HB2 3.300 . 3.300 2.884 2.407 3.098 . 0 0 "[ . 1 . 2]" 1
190 1 19 ARG H 1 19 ARG QB 2.800 . 2.800 2.419 2.324 2.506 . 0 0 "[ . 1 . 2]" 1
191 1 19 ARG H 1 19 ARG HB3 3.300 . 3.300 2.628 2.431 3.069 . 0 0 "[ . 1 . 2]" 1
192 1 19 ARG H 1 19 ARG QG 4.800 . 4.800 4.080 3.920 4.201 . 0 0 "[ . 1 . 2]" 1
193 1 19 ARG HA 1 19 ARG HB2 3.000 . 3.000 2.490 2.384 2.737 . 0 0 "[ . 1 . 2]" 1
194 1 19 ARG HA 1 19 ARG QB 2.700 . 2.700 2.376 2.298 2.507 . 0 0 "[ . 1 . 2]" 1
195 1 19 ARG HA 1 19 ARG HB3 3.000 . 3.000 3.011 2.911 3.019 0.019 5 0 "[ . 1 . 2]" 1
196 1 19 ARG HA 1 20 LEU H 2.400 . 2.400 2.153 2.131 2.224 . 0 0 "[ . 1 . 2]" 1
197 1 19 ARG HA 1 82 GLN HA 2.500 . 2.500 2.108 1.991 2.249 . 0 0 "[ . 1 . 2]" 1
198 1 19 ARG HA 1 82 GLN HB2 5.000 . 5.000 4.218 4.028 4.398 . 0 0 "[ . 1 . 2]" 1
199 1 19 ARG HA 1 82 GLN QB 4.700 . 4.700 3.995 3.821 4.126 . 0 0 "[ . 1 . 2]" 1
200 1 19 ARG HA 1 82 GLN HB3 5.000 . 5.000 4.947 4.750 5.070 0.070 16 0 "[ . 1 . 2]" 1
201 1 19 ARG HA 1 83 MET H 3.400 . 3.400 3.104 2.598 3.408 0.008 6 0 "[ . 1 . 2]" 1
202 1 19 ARG QG 1 20 LEU H 4.100 . 4.100 2.751 2.267 3.599 . 0 0 "[ . 1 . 2]" 1
203 1 20 LEU H 1 20 LEU QB 3.500 . 3.500 2.759 2.660 2.869 . 0 0 "[ . 1 . 2]" 1
204 1 20 LEU H 1 20 LEU QD . . 4.100 3.026 2.914 3.067 . 0 0 "[ . 1 . 2]" 1
205 1 20 LEU H 1 20 LEU HG 2.700 . 2.700 2.435 2.258 2.596 . 0 0 "[ . 1 . 2]" 1
206 1 20 LEU H 1 21 SER H 4.400 . 4.400 4.446 4.416 4.483 0.083 16 0 "[ . 1 . 2]" 1
207 1 20 LEU H 1 81 LEU O 2.000 . 2.000 2.024 1.987 2.046 0.046 11 0 "[ . 1 . 2]" 1
208 1 20 LEU HA 1 20 LEU HG 3.900 . 3.900 3.433 3.290 3.540 . 0 0 "[ . 1 . 2]" 1
209 1 20 LEU QB 1 21 SER H 4.600 . 4.600 2.907 2.733 3.074 . 0 0 "[ . 1 . 2]" 1
210 1 20 LEU QB 1 36 TRP QB 6.900 . 6.900 5.103 4.890 5.397 . 0 0 "[ . 1 . 2]" 1
211 1 20 LEU QB 1 36 TRP HH2 5.200 . 5.200 2.247 2.099 2.410 . 0 0 "[ . 1 . 2]" 1
212 1 20 LEU QB 1 36 TRP HZ2 5.500 . 5.500 2.818 2.449 3.061 . 0 0 "[ . 1 . 2]" 1
213 1 20 LEU QB 1 36 TRP HZ3 4.100 . 4.100 3.138 2.807 3.503 . 0 0 "[ . 1 . 2]" 1
214 1 20 LEU QB 1 81 LEU QD . . 4.700 1.860 1.795 1.958 0.005 8 0 "[ . 1 . 2]" 1
215 1 20 LEU QD 1 21 SER H . . 5.100 3.737 3.609 3.793 . 0 0 "[ . 1 . 2]" 1
216 1 20 LEU QD 1 36 TRP HE3 5.600 . 5.600 3.195 2.870 3.505 . 0 0 "[ . 1 . 2]" 1
217 1 20 LEU QD 1 36 TRP HH2 . . 4.400 3.233 3.064 3.280 . 0 0 "[ . 1 . 2]" 1
218 1 20 LEU QD 1 36 TRP HZ3 6.300 . 6.300 2.567 2.311 2.877 . 0 0 "[ . 1 . 2]" 1
219 1 20 LEU QD 1 81 LEU QB 7.500 . 7.500 4.300 3.652 4.621 . 0 0 "[ . 1 . 2]" 1
220 1 20 LEU QD 1 81 LEU QD 7.500 . 7.500 1.858 1.763 2.138 0.037 3 0 "[ . 1 . 2]" 1
221 1 20 LEU QD 1 81 LEU HG 5.000 . 5.000 3.711 3.653 3.728 . 0 0 "[ . 1 . 2]" 1
222 1 20 LEU QD 1 94 TYR H 7.100 . 7.100 4.769 4.420 5.154 . 0 0 "[ . 1 . 2]" 1
223 1 20 LEU QD 1 94 TYR HB2 6.500 . 6.500 3.131 2.750 3.534 . 0 0 "[ . 1 . 2]" 1
224 1 20 LEU QD 1 94 TYR QB 4.900 . 4.900 2.615 2.289 3.015 . 0 0 "[ . 1 . 2]" 1
225 1 20 LEU QD 1 94 TYR HB3 6.500 . 6.500 2.803 2.448 3.270 . 0 0 "[ . 1 . 2]" 1
226 1 20 LEU N 1 81 LEU O 3.000 . 3.000 2.972 2.868 3.002 0.002 11 0 "[ . 1 . 2]" 1
227 1 20 LEU O 1 81 LEU H 2.000 . 2.000 1.997 1.860 2.037 0.037 2 0 "[ . 1 . 2]" 1
228 1 20 LEU O 1 81 LEU N 3.000 . 3.000 2.924 2.812 2.965 . 0 0 "[ . 1 . 2]" 1
229 1 21 SER H 1 21 SER HB2 3.800 . 3.800 3.531 2.690 3.823 0.023 10 0 "[ . 1 . 2]" 1
230 1 21 SER H 1 21 SER QB 3.300 . 3.300 2.848 2.448 2.957 . 0 0 "[ . 1 . 2]" 1
231 1 21 SER H 1 21 SER HB3 3.800 . 3.800 3.187 2.529 3.825 0.025 19 0 "[ . 1 . 2]" 1
232 1 21 SER H 1 36 TRP HH2 3.600 . 3.600 3.341 2.937 3.603 0.003 11 0 "[ . 1 . 2]" 1
233 1 21 SER H 1 36 TRP HZ2 3.700 . 3.700 3.701 3.566 3.741 0.041 13 0 "[ . 1 . 2]" 1
234 1 21 SER HA 1 78 THR HG1 4.500 . 4.500 3.490 3.258 3.622 . 0 0 "[ . 1 . 2]" 1
235 1 21 SER HA 1 80 TYR CG 5.000 . 5.000 3.753 3.263 4.230 . 0 0 "[ . 1 . 2]" 1
236 1 21 SER HA 1 80 TYR CZ 5.100 . 5.100 4.839 4.438 5.147 0.047 4 0 "[ . 1 . 2]" 1
237 1 21 SER HA 1 80 TYR HA 3.600 . 3.600 2.439 2.248 2.761 . 0 0 "[ . 1 . 2]" 1
238 1 21 SER QB 1 78 THR HG1 4.400 . 4.400 2.635 2.309 3.122 . 0 0 "[ . 1 . 2]" 1
239 1 21 SER QB 1 80 TYR CG 4.900 . 4.900 3.482 3.035 4.053 . 0 0 "[ . 1 . 2]" 1
240 1 21 SER QB 1 80 TYR CZ 4.200 . 4.200 3.328 2.607 3.747 . 0 0 "[ . 1 . 2]" 1
241 1 21 SER HB2 1 80 TYR CG 5.100 . 5.100 4.209 3.068 5.163 0.063 13 0 "[ . 1 . 2]" 1
242 1 21 SER HB2 1 80 TYR CZ 4.900 . 4.900 3.851 2.721 4.960 0.060 5 0 "[ . 1 . 2]" 1
243 1 21 SER HB3 1 80 TYR CG 5.100 . 5.100 3.876 3.326 4.814 . 0 0 "[ . 1 . 2]" 1
244 1 21 SER HB3 1 80 TYR CZ 4.900 . 4.900 4.024 2.997 4.845 . 0 0 "[ . 1 . 2]" 1
245 1 22 CYS CB 1 96 CYS SG 3.100 . 3.100 3.035 3.031 3.043 . 0 0 "[ . 1 . 2]" 1
246 1 22 CYS H 1 22 CYS QB 3.700 . 3.700 2.498 2.252 3.071 . 0 0 "[ . 1 . 2]" 1
247 1 22 CYS H 1 79 VAL O 2.000 . 2.000 1.954 1.788 2.060 0.060 20 0 "[ . 1 . 2]" 1
248 1 22 CYS HA 1 23 ALA H 2.400 . 2.400 2.156 2.123 2.187 . 0 0 "[ . 1 . 2]" 1
249 1 22 CYS QB 1 23 ALA H 4.100 . 4.100 3.552 3.110 3.691 . 0 0 "[ . 1 . 2]" 1
250 1 22 CYS QB 1 36 TRP HH2 4.200 . 4.200 3.014 2.539 3.746 . 0 0 "[ . 1 . 2]" 1
251 1 22 CYS N 1 79 VAL O 3.000 . 3.000 2.872 2.678 3.001 0.001 20 0 "[ . 1 . 2]" 1
252 1 22 CYS O 1 79 VAL H 2.000 . 2.000 1.886 1.776 2.029 0.029 19 0 "[ . 1 . 2]" 1
253 1 22 CYS O 1 79 VAL N 3.000 . 3.000 2.837 2.672 3.010 0.010 19 0 "[ . 1 . 2]" 1
254 1 22 CYS SG 1 96 CYS CB 3.100 . 3.100 3.033 3.026 3.040 . 0 0 "[ . 1 . 2]" 1
255 1 22 CYS SG 1 96 CYS SG 2.100 . 2.100 2.030 2.029 2.032 . 0 0 "[ . 1 . 2]" 1
256 1 23 ALA H 1 23 ALA MB 3.400 . 3.400 2.337 2.167 2.484 . 0 0 "[ . 1 . 2]" 1
257 1 23 ALA HA 1 24 ALA H 2.500 . 2.500 2.322 2.206 2.499 . 0 0 "[ . 1 . 2]" 1
258 1 23 ALA HA 1 78 THR HA 2.900 . 2.900 2.215 1.974 2.470 . 0 0 "[ . 1 . 2]" 1
259 1 23 ALA HA 1 78 THR HG1 3.800 . 3.800 2.610 2.068 2.976 . 0 0 "[ . 1 . 2]" 1
260 1 23 ALA MB 1 24 ALA H 3.400 . 3.400 2.602 2.182 2.835 . 0 0 "[ . 1 . 2]" 1
261 1 23 ALA MB 1 78 THR HA 4.300 . 4.300 3.455 2.830 3.589 . 0 0 "[ . 1 . 2]" 1
262 1 23 ALA MB 1 78 THR HB 6.500 . 6.500 4.279 2.718 4.777 . 0 0 "[ . 1 . 2]" 1
263 1 24 ALA H 1 77 LYS O 2.500 . 2.500 2.412 2.271 2.505 0.005 9 0 "[ . 1 . 2]" 1
264 1 24 ALA HA 1 25 SER H 3.000 . 3.000 2.362 2.140 2.737 . 0 0 "[ . 1 . 2]" 1
265 1 24 ALA MB 1 34 MET QG 4.300 . 4.300 3.024 2.705 3.196 . 0 0 "[ . 1 . 2]" 1
266 1 25 SER HA 1 26 GLY H 2.400 . 2.400 2.265 2.142 2.403 0.003 17 0 "[ . 1 . 2]" 1
267 1 26 GLY QA 1 27 ARG H 3.200 . 3.200 2.276 2.120 2.852 . 0 0 "[ . 1 . 2]" 1
268 1 27 ARG H 1 27 ARG HB2 3.500 . 3.500 2.841 2.273 3.500 . 0 0 "[ . 1 . 2]" 1
269 1 27 ARG H 1 27 ARG QB 3.300 . 3.300 2.508 2.247 2.913 . 0 0 "[ . 1 . 2]" 1
270 1 27 ARG H 1 27 ARG HB3 3.500 . 3.500 2.986 2.442 3.555 0.055 18 0 "[ . 1 . 2]" 1
271 1 27 ARG H 1 27 ARG QG 5.100 . 5.100 3.761 2.005 4.376 . 0 0 "[ . 1 . 2]" 1
272 1 27 ARG HA 1 27 ARG QB 2.700 . 2.700 2.386 2.245 2.494 . 0 0 "[ . 1 . 2]" 1
273 1 27 ARG HA 1 27 ARG QD 5.100 . 5.100 3.365 1.975 4.156 . 0 0 "[ . 1 . 2]" 1
274 1 27 ARG HA 1 28 THR H 2.600 . 2.600 2.251 2.140 2.604 0.004 7 0 "[ . 1 . 2]" 1
275 1 28 THR H 1 28 THR HB 4.100 . 4.100 3.487 2.466 3.982 . 0 0 "[ . 1 . 2]" 1
276 1 28 THR H 1 28 THR HG1 3.600 . 3.600 2.494 1.951 2.859 . 0 0 "[ . 1 . 2]" 1
277 1 28 THR H 1 29 GLY H 4.500 . 4.500 4.223 3.496 4.518 0.018 18 0 "[ . 1 . 2]" 1
278 1 28 THR HA 1 29 GLY H 2.900 . 2.900 2.476 2.143 2.910 0.010 14 0 "[ . 1 . 2]" 1
279 1 28 THR HB 1 32 TYR H 6.600 . 6.600 4.592 2.937 6.354 . 0 0 "[ . 1 . 2]" 1
280 1 28 THR HB 1 32 TYR QB 5.900 . 5.900 3.229 1.920 5.255 . 0 0 "[ . 1 . 2]" 1
281 1 28 THR HG1 1 29 GLY H 5.100 . 5.100 3.088 1.938 3.885 . 0 0 "[ . 1 . 2]" 1
282 1 28 THR HG1 1 32 TYR CG 5.000 . 5.000 2.731 2.329 3.969 . 0 0 "[ . 1 . 2]" 1
283 1 28 THR HG1 1 32 TYR CZ 5.000 . 5.000 3.637 3.076 3.989 . 0 0 "[ . 1 . 2]" 1
284 1 28 THR HG1 1 32 TYR H 5.000 . 5.000 3.752 3.179 4.007 . 0 0 "[ . 1 . 2]" 1
285 1 29 GLY H 1 29 GLY HA2 2.900 . 2.900 2.786 2.447 2.947 0.047 18 0 "[ . 1 . 2]" 1
286 1 29 GLY H 1 29 GLY QA 2.700 . 2.700 2.408 2.231 2.489 . 0 0 "[ . 1 . 2]" 1
287 1 29 GLY H 1 29 GLY HA3 2.900 . 2.900 2.703 2.322 2.945 0.045 13 0 "[ . 1 . 2]" 1
288 1 29 GLY H 1 31 THR H 5.000 . 5.000 4.396 3.284 5.024 0.024 14 0 "[ . 1 . 2]" 1
289 1 29 GLY QA 1 30 SER H 3.100 . 3.100 2.761 2.565 2.869 . 0 0 "[ . 1 . 2]" 1
290 1 29 GLY HA2 1 30 SER H 3.500 . 3.500 3.031 2.633 3.511 0.011 6 0 "[ . 1 . 2]" 1
291 1 29 GLY HA3 1 30 SER H 3.500 . 3.500 3.360 2.891 3.544 0.044 14 0 "[ . 1 . 2]" 1
292 1 30 SER H 1 30 SER HB2 3.100 . 3.100 2.793 2.284 3.115 0.015 15 0 "[ . 1 . 2]" 1
293 1 30 SER H 1 30 SER QB 2.800 . 2.800 2.442 2.195 2.543 . 0 0 "[ . 1 . 2]" 1
294 1 30 SER H 1 30 SER HB3 3.100 . 3.100 2.786 2.385 3.110 0.010 13 0 "[ . 1 . 2]" 1
295 1 30 SER H 1 31 THR H 3.000 . 3.000 2.802 2.389 3.059 0.059 10 0 "[ . 1 . 2]" 1
296 1 30 SER QB 1 32 TYR H 4.300 . 4.300 3.804 3.546 3.882 . 0 0 "[ . 1 . 2]" 1
297 1 31 THR H 1 32 TYR H 2.900 . 2.900 2.475 1.986 2.879 . 0 0 "[ . 1 . 2]" 1
298 1 32 TYR H 1 32 TYR HB2 3.000 . 3.000 2.771 2.103 3.397 0.397 14 0 "[ . 1 . 2]" 1
299 1 32 TYR H 1 32 TYR HB3 3.000 . 3.000 2.532 2.026 3.285 0.285 5 0 "[ . 1 . 2]" 1
300 1 32 TYR H 1 100 GLU QB 6.500 . 6.500 5.704 5.090 5.829 . 0 0 "[ . 1 . 2]" 1
301 1 32 TYR H 1 100 GLU QG 5.400 . 5.400 4.337 3.696 4.827 . 0 0 "[ . 1 . 2]" 1
302 1 32 TYR QB 1 33 ASP H 4.500 . 4.500 3.573 2.212 4.027 . 0 0 "[ . 1 . 2]" 1
303 1 32 TYR QB 1 98 ALA MB 6.100 . 6.100 3.884 2.472 4.495 . 0 0 "[ . 1 . 2]" 1
304 1 32 TYR HB2 1 33 ASP H 5.000 . 5.000 3.979 2.243 4.666 . 0 0 "[ . 1 . 2]" 1
305 1 32 TYR HB2 1 99 GLY H 5.600 . 5.600 4.947 3.698 5.660 0.060 7 0 "[ . 1 . 2]" 1
306 1 32 TYR HB3 1 33 ASP H 5.000 . 5.000 4.172 3.368 4.460 . 0 0 "[ . 1 . 2]" 1
307 1 32 TYR HB3 1 99 GLY H 5.600 . 5.600 5.333 4.511 5.640 0.040 20 0 "[ . 1 . 2]" 1
308 1 33 ASP H 1 99 GLY H 4.900 . 4.900 2.488 1.912 3.547 . 0 0 "[ . 1 . 2]" 1
309 1 33 ASP QB 1 34 MET H 3.200 . 3.200 2.102 1.966 2.487 . 0 0 "[ . 1 . 2]" 1
310 1 33 ASP QB 1 104 TRP HH2 3.400 . 3.400 2.257 1.937 2.605 . 0 0 "[ . 1 . 2]" 1
311 1 33 ASP QB 1 104 TRP HZ3 4.500 . 4.500 3.543 3.276 3.922 . 0 0 "[ . 1 . 2]" 1
312 1 33 ASP HB2 1 34 MET H 3.500 . 3.500 3.056 2.074 3.501 0.001 15 0 "[ . 1 . 2]" 1
313 1 33 ASP HB2 1 104 TRP HH2 3.600 . 3.600 2.508 1.946 2.995 . 0 0 "[ . 1 . 2]" 1
314 1 33 ASP HB2 1 104 TRP HZ3 5.000 . 5.000 3.733 3.431 4.238 . 0 0 "[ . 1 . 2]" 1
315 1 33 ASP HB3 1 34 MET H 3.500 . 3.500 2.254 1.993 3.343 . 0 0 "[ . 1 . 2]" 1
316 1 33 ASP HB3 1 104 TRP HH2 3.600 . 3.600 2.772 2.121 3.613 0.013 12 0 "[ . 1 . 2]" 1
317 1 33 ASP HB3 1 104 TRP HZ3 5.000 . 5.000 4.480 4.002 5.029 0.029 1 0 "[ . 1 . 2]" 1
318 1 33 ASP O 1 99 GLY H 2.500 . 2.500 2.078 1.796 2.376 0.004 16 0 "[ . 1 . 2]" 1
319 1 34 MET H 1 34 MET HA 2.900 . 2.900 2.919 2.905 2.932 0.032 15 0 "[ . 1 . 2]" 1
320 1 34 MET H 1 34 MET HB2 3.600 . 3.600 2.718 2.558 2.924 . 0 0 "[ . 1 . 2]" 1
321 1 34 MET H 1 34 MET QB 3.400 . 3.400 2.629 2.508 2.742 . 0 0 "[ . 1 . 2]" 1
322 1 34 MET H 1 34 MET HB3 3.600 . 3.600 3.527 3.313 3.622 0.022 2 0 "[ . 1 . 2]" 1
323 1 34 MET H 1 51 ILE H 3.100 . 3.100 2.988 2.687 3.120 0.020 2 0 "[ . 1 . 2]" 1
324 1 34 MET H 1 51 ILE QG 3.800 . 3.800 2.780 2.326 2.939 . 0 0 "[ . 1 . 2]" 1
325 1 34 MET H 1 51 ILE O 2.000 . 2.000 2.022 1.901 2.067 0.067 1 0 "[ . 1 . 2]" 1
326 1 34 MET HA 1 34 MET HG2 3.200 . 3.200 2.479 2.022 3.224 0.024 14 0 "[ . 1 . 2]" 1
327 1 34 MET HA 1 34 MET QG 2.800 . 2.800 2.116 2.002 2.246 . 0 0 "[ . 1 . 2]" 1
328 1 34 MET HA 1 34 MET HG3 3.200 . 3.200 2.649 2.034 3.211 0.011 11 0 "[ . 1 . 2]" 1
329 1 34 MET HA 1 35 GLY H 2.400 . 2.400 2.179 2.142 2.384 . 0 0 "[ . 1 . 2]" 1
330 1 34 MET HA 1 98 ALA H 5.000 . 5.000 4.727 4.506 4.995 . 0 0 "[ . 1 . 2]" 1
331 1 34 MET HA 1 98 ALA MB 3.800 . 3.800 2.935 2.522 3.176 . 0 0 "[ . 1 . 2]" 1
332 1 34 MET HA 1 104 TRP HZ3 2.600 . 2.600 2.511 2.179 2.626 0.026 1 0 "[ . 1 . 2]" 1
333 1 34 MET QB 1 79 VAL QG 5.800 . 5.800 2.076 1.757 3.079 0.043 12 0 "[ . 1 . 2]" 1
334 1 34 MET QG 1 35 GLY H 5.400 . 5.400 3.388 2.822 3.798 . 0 0 "[ . 1 . 2]" 1
335 1 34 MET N 1 51 ILE O 3.000 . 3.000 2.987 2.864 3.017 0.017 11 0 "[ . 1 . 2]" 1
336 1 34 MET O 1 51 ILE H 2.000 . 2.000 1.790 1.767 1.877 0.033 14 0 "[ . 1 . 2]" 1
337 1 34 MET O 1 51 ILE N 3.000 . 3.000 2.732 2.606 2.822 . 0 0 "[ . 1 . 2]" 1
338 1 35 GLY H 1 97 GLY O 2.000 . 2.000 1.992 1.885 2.028 0.028 14 0 "[ . 1 . 2]" 1
339 1 35 GLY H 1 104 TRP HZ3 3.200 . 3.200 2.268 1.987 2.925 . 0 0 "[ . 1 . 2]" 1
340 1 35 GLY N 1 97 GLY O 3.000 . 3.000 2.915 2.825 2.968 . 0 0 "[ . 1 . 2]" 1
341 1 35 GLY O 1 97 GLY H 2.000 . 2.000 1.890 1.786 2.011 0.014 20 0 "[ . 1 . 2]" 1
342 1 35 GLY O 1 97 GLY N 3.000 . 3.000 2.832 2.714 2.981 . 0 0 "[ . 1 . 2]" 1
343 1 36 TRP H 1 36 TRP HB2 3.500 . 3.500 2.359 2.306 2.389 . 0 0 "[ . 1 . 2]" 1
344 1 36 TRP H 1 36 TRP QB 3.300 . 3.300 2.328 2.279 2.356 . 0 0 "[ . 1 . 2]" 1
345 1 36 TRP H 1 36 TRP HB3 3.500 . 3.500 3.582 3.563 3.599 0.099 8 0 "[ . 1 . 2]" 1
346 1 36 TRP H 1 36 TRP HD1 3.800 . 3.800 2.540 2.364 2.914 . 0 0 "[ . 1 . 2]" 1
347 1 36 TRP H 1 49 ALA H 3.000 . 3.000 2.886 2.703 2.980 . 0 0 "[ . 1 . 2]" 1
348 1 36 TRP H 1 49 ALA MB 4.800 . 4.800 3.465 3.179 3.716 . 0 0 "[ . 1 . 2]" 1
349 1 36 TRP H 1 49 ALA O 2.000 . 2.000 1.824 1.770 1.956 0.030 2 0 "[ . 1 . 2]" 1
350 1 36 TRP H 1 50 ALA HA 3.900 . 3.900 3.473 3.173 3.702 . 0 0 "[ . 1 . 2]" 1
351 1 36 TRP HA 1 36 TRP HB2 2.900 . 2.900 2.996 2.989 3.000 0.100 1 0 "[ . 1 . 2]" 1
352 1 36 TRP HA 1 36 TRP HB3 2.900 . 2.900 2.510 2.480 2.549 . 0 0 "[ . 1 . 2]" 1
353 1 36 TRP HA 1 36 TRP HE3 5.300 . 5.300 3.479 3.226 3.728 . 0 0 "[ . 1 . 2]" 1
354 1 36 TRP HA 1 37 PHE CG 4.900 . 4.900 4.953 4.929 4.972 0.072 8 0 "[ . 1 . 2]" 1
355 1 36 TRP HA 1 37 PHE H 2.400 . 2.400 2.292 2.268 2.342 . 0 0 "[ . 1 . 2]" 1
356 1 36 TRP QB 1 48 VAL HB 3.400 . 3.400 2.598 2.464 2.767 . 0 0 "[ . 1 . 2]" 1
357 1 36 TRP QB 1 48 VAL QG 4.300 . 4.300 2.784 2.615 2.852 . 0 0 "[ . 1 . 2]" 1
358 1 36 TRP QB 1 81 LEU QD 5.000 . 5.000 2.391 2.130 2.613 . 0 0 "[ . 1 . 2]" 1
359 1 36 TRP HB2 1 37 PHE H 3.800 . 3.800 3.828 3.809 3.842 0.042 17 0 "[ . 1 . 2]" 1
360 1 36 TRP HB2 1 48 VAL HB 3.700 . 3.700 2.683 2.545 2.857 . 0 0 "[ . 1 . 2]" 1
361 1 36 TRP HB2 1 48 VAL QG 5.100 . 5.100 3.193 3.027 3.381 . 0 0 "[ . 1 . 2]" 1
362 1 36 TRP HB2 1 81 LEU QD 6.800 . 6.800 2.526 2.229 2.764 . 0 0 "[ . 1 . 2]" 1
363 1 36 TRP HB3 1 37 PHE H 3.800 . 3.800 2.622 2.538 2.675 . 0 0 "[ . 1 . 2]" 1
364 1 36 TRP HB3 1 48 VAL HB 3.700 . 3.700 3.486 3.111 3.709 0.009 17 0 "[ . 1 . 2]" 1
365 1 36 TRP HB3 1 48 VAL QG 5.100 . 5.100 3.071 2.821 3.212 . 0 0 "[ . 1 . 2]" 1
366 1 36 TRP HB3 1 81 LEU QD 6.800 . 6.800 2.961 2.662 3.249 . 0 0 "[ . 1 . 2]" 1
367 1 36 TRP HD1 1 49 ALA MB 4.300 . 4.300 3.457 2.971 3.590 . 0 0 "[ . 1 . 2]" 1
368 1 36 TRP HD1 1 81 LEU QD . . 4.400 2.918 2.553 3.266 . 0 0 "[ . 1 . 2]" 1
369 1 36 TRP HE3 1 37 PHE H 3.600 . 3.600 3.406 3.108 3.607 0.007 7 0 "[ . 1 . 2]" 1
370 1 36 TRP HE3 1 81 LEU QD 5.900 . 5.900 3.387 3.126 3.613 . 0 0 "[ . 1 . 2]" 1
371 1 36 TRP HE3 1 94 TYR HA 6.000 . 6.000 4.352 4.023 4.591 . 0 0 "[ . 1 . 2]" 1
372 1 36 TRP HE3 1 94 TYR HB2 4.600 . 4.600 4.434 4.293 4.607 0.007 13 0 "[ . 1 . 2]" 1
373 1 36 TRP HE3 1 94 TYR QB 4.000 . 4.000 2.703 2.527 2.877 . 0 0 "[ . 1 . 2]" 1
374 1 36 TRP HE3 1 94 TYR HB3 4.600 . 4.600 2.727 2.545 2.907 . 0 0 "[ . 1 . 2]" 1
375 1 36 TRP HE3 1 95 THR H 4.500 . 4.500 4.354 3.778 4.518 0.018 18 0 "[ . 1 . 2]" 1
376 1 36 TRP HH2 1 111 THR HG1 4.700 . 4.700 3.392 2.980 3.684 . 0 0 "[ . 1 . 2]" 1
377 1 36 TRP HZ2 1 79 VAL HB 5.400 . 5.400 5.300 4.929 5.441 0.041 13 0 "[ . 1 . 2]" 1
378 1 36 TRP HZ2 1 79 VAL QG 5.600 . 5.600 3.104 2.370 3.707 . 0 0 "[ . 1 . 2]" 1
379 1 36 TRP HZ2 1 80 TYR H 5.700 . 5.700 5.637 5.308 5.724 0.024 15 0 "[ . 1 . 2]" 1
380 1 36 TRP HZ2 1 80 TYR HA 5.000 . 5.000 3.625 3.220 3.999 . 0 0 "[ . 1 . 2]" 1
381 1 36 TRP HZ2 1 81 LEU QD . . 4.600 3.209 2.772 3.428 . 0 0 "[ . 1 . 2]" 1
382 1 36 TRP HZ3 1 111 THR HG1 3.800 . 3.800 2.172 1.932 2.483 . 0 0 "[ . 1 . 2]" 1
383 1 36 TRP N 1 49 ALA O 3.000 . 3.000 2.633 2.540 2.725 . 0 0 "[ . 1 . 2]" 1
384 1 36 TRP O 1 48 VAL H 2.000 . 2.000 2.014 1.973 2.037 0.037 10 0 "[ . 1 . 2]" 1
385 1 36 TRP O 1 48 VAL N 3.000 . 3.000 2.877 2.828 2.906 . 0 0 "[ . 1 . 2]" 1
386 1 37 PHE CG 1 37 PHE H 3.900 . 3.900 3.861 3.818 3.912 0.012 11 0 "[ . 1 . 2]" 1
387 1 37 PHE CG 1 37 PHE HA 3.000 . 3.000 2.588 2.568 2.615 . 0 0 "[ . 1 . 2]" 1
388 1 37 PHE CG 1 38 ARG H 4.500 . 4.500 3.578 3.530 3.634 . 0 0 "[ . 1 . 2]" 1
389 1 37 PHE CG 1 47 SER H 5.700 . 5.700 4.791 4.525 5.031 . 0 0 "[ . 1 . 2]" 1
390 1 37 PHE CG 1 47 SER HB2 5.100 . 5.100 3.477 3.259 3.613 . 0 0 "[ . 1 . 2]" 1
391 1 37 PHE CG 1 47 SER QB 4.500 . 4.500 3.403 3.208 3.522 . 0 0 "[ . 1 . 2]" 1
392 1 37 PHE CG 1 47 SER HB3 5.100 . 5.100 4.850 4.786 4.896 . 0 0 "[ . 1 . 2]" 1
393 1 37 PHE CG 1 48 VAL H 5.800 . 5.800 4.263 4.129 4.460 . 0 0 "[ . 1 . 2]" 1
394 1 37 PHE CG 1 107 TRP HH2 3.900 . 3.900 3.892 3.796 3.910 0.010 15 0 "[ . 1 . 2]" 1
395 1 37 PHE CG 1 107 TRP HZ3 2.900 . 2.900 2.517 2.462 2.680 . 0 0 "[ . 1 . 2]" 1
396 1 37 PHE CZ 1 47 SER HB2 3.900 . 3.900 2.376 2.294 2.459 . 0 0 "[ . 1 . 2]" 1
397 1 37 PHE CZ 1 47 SER QB 3.600 . 3.600 2.358 2.280 2.434 . 0 0 "[ . 1 . 2]" 1
398 1 37 PHE CZ 1 47 SER HB3 3.900 . 3.900 3.957 3.906 3.982 0.082 9 0 "[ . 1 . 2]" 1
399 1 37 PHE H 1 37 PHE HB2 3.500 . 3.500 2.536 2.502 2.571 . 0 0 "[ . 1 . 2]" 1
400 1 37 PHE H 1 37 PHE QB 3.200 . 3.200 2.488 2.458 2.518 . 0 0 "[ . 1 . 2]" 1
401 1 37 PHE H 1 37 PHE HB3 3.500 . 3.500 3.605 3.593 3.621 0.121 6 0 "[ . 1 . 2]" 1
402 1 37 PHE H 1 48 VAL QG 7.600 . 7.600 3.370 3.085 3.646 . 0 0 "[ . 1 . 2]" 1
403 1 37 PHE H 1 95 THR H 3.300 . 3.300 3.290 3.150 3.330 0.030 20 0 "[ . 1 . 2]" 1
404 1 37 PHE H 1 95 THR O 2.000 . 2.000 1.826 1.762 1.977 0.038 11 0 "[ . 1 . 2]" 1
405 1 37 PHE HA 1 38 ARG H 2.600 . 2.600 2.605 2.556 2.627 0.027 19 0 "[ . 1 . 2]" 1
406 1 37 PHE HA 1 48 VAL H 2.700 . 2.700 2.733 2.705 2.768 0.068 6 0 "[ . 1 . 2]" 1
407 1 37 PHE HA 1 48 VAL HB 4.100 . 4.100 4.077 3.872 4.120 0.020 20 0 "[ . 1 . 2]" 1
408 1 37 PHE HA 1 49 ALA H 4.500 . 4.500 4.458 4.276 4.521 0.021 17 0 "[ . 1 . 2]" 1
409 1 37 PHE QB 1 38 ARG H 3.100 . 3.100 2.070 1.988 2.130 . 0 0 "[ . 1 . 2]" 1
410 1 37 PHE HB2 1 38 ARG H 3.600 . 3.600 3.572 3.488 3.620 0.020 8 0 "[ . 1 . 2]" 1
411 1 37 PHE HB3 1 38 ARG H 3.600 . 3.600 2.083 1.999 2.145 . 0 0 "[ . 1 . 2]" 1
412 1 37 PHE HD2 1 45 ARG QD 5.200 . 5.200 3.526 2.194 4.645 . 0 0 "[ . 1 . 2]" 1
413 1 37 PHE N 1 95 THR O 3.000 . 3.000 2.579 2.519 2.722 . 0 0 "[ . 1 . 2]" 1
414 1 37 PHE O 1 95 THR H 2.500 . 2.500 2.318 2.184 2.412 . 0 0 "[ . 1 . 2]" 1
415 1 38 ARG H 1 38 ARG HB2 3.900 . 3.900 3.630 3.161 3.958 0.058 16 0 "[ . 1 . 2]" 1
416 1 38 ARG H 1 38 ARG QB 3.600 . 3.600 3.184 3.036 3.258 . 0 0 "[ . 1 . 2]" 1
417 1 38 ARG H 1 38 ARG HB3 3.900 . 3.900 3.667 3.153 3.952 0.052 20 0 "[ . 1 . 2]" 1
418 1 38 ARG H 1 38 ARG HD2 5.300 . 5.300 4.872 4.125 5.262 . 0 0 "[ . 1 . 2]" 1
419 1 38 ARG H 1 38 ARG HD3 5.300 . 5.300 4.564 3.909 5.198 . 0 0 "[ . 1 . 2]" 1
420 1 38 ARG H 1 38 ARG QG 5.000 . 5.000 2.427 2.253 2.632 . 0 0 "[ . 1 . 2]" 1
421 1 38 ARG H 1 45 ARG QG 6.000 . 6.000 4.824 2.842 5.368 . 0 0 "[ . 1 . 2]" 1
422 1 38 ARG H 1 46 GLU H 3.100 . 3.100 3.018 2.707 3.132 0.032 14 0 "[ . 1 . 2]" 1
423 1 38 ARG H 1 46 GLU QB 5.900 . 5.900 4.618 3.709 4.958 . 0 0 "[ . 1 . 2]" 1
424 1 38 ARG H 1 46 GLU HG2 5.000 . 5.000 4.028 2.976 5.023 0.023 12 0 "[ . 1 . 2]" 1
425 1 38 ARG H 1 46 GLU HG3 5.000 . 5.000 3.996 2.806 5.008 0.008 16 0 "[ . 1 . 2]" 1
426 1 38 ARG H 1 46 GLU O 2.000 . 2.000 1.810 1.766 1.925 0.034 14 0 "[ . 1 . 2]" 1
427 1 38 ARG H 1 47 SER QB 5.600 . 5.600 5.007 4.963 5.028 . 0 0 "[ . 1 . 2]" 1
428 1 38 ARG H 1 48 VAL H 5.300 . 5.300 4.993 4.898 5.075 . 0 0 "[ . 1 . 2]" 1
429 1 38 ARG H 1 48 VAL QG 5.300 . 5.300 3.393 3.141 3.592 . 0 0 "[ . 1 . 2]" 1
430 1 38 ARG H 1 94 TYR HA 5.000 . 5.000 4.785 4.526 4.988 . 0 0 "[ . 1 . 2]" 1
431 1 38 ARG HA 1 38 ARG HB2 2.800 . 2.800 2.680 2.334 2.939 0.139 12 0 "[ . 1 . 2]" 1
432 1 38 ARG HA 1 38 ARG HB3 2.800 . 2.800 2.333 2.222 2.571 . 0 0 "[ . 1 . 2]" 1
433 1 38 ARG HA 1 39 GLN H 2.400 . 2.400 2.360 2.285 2.422 0.022 3 0 "[ . 1 . 2]" 1
434 1 38 ARG HA 1 92 ALA MB 4.900 . 4.900 3.915 3.717 4.082 . 0 0 "[ . 1 . 2]" 1
435 1 38 ARG HA 1 94 TYR HA 2.900 . 2.900 2.450 2.044 2.681 . 0 0 "[ . 1 . 2]" 1
436 1 38 ARG HA 1 95 THR H 2.800 . 2.800 2.828 2.803 2.839 0.039 2 0 "[ . 1 . 2]" 1
437 1 38 ARG QB 1 94 TYR HA 4.600 . 4.600 3.337 3.084 3.594 . 0 0 "[ . 1 . 2]" 1
438 1 38 ARG HB2 1 94 TYR HA 5.000 . 5.000 4.468 3.680 5.016 0.016 15 0 "[ . 1 . 2]" 1
439 1 38 ARG HB3 1 94 TYR HA 5.000 . 5.000 3.468 3.266 3.768 . 0 0 "[ . 1 . 2]" 1
440 1 38 ARG QD 1 48 VAL QG 3.600 . 3.600 2.034 1.679 2.384 0.121 7 0 "[ . 1 . 2]" 1
441 1 38 ARG HD2 1 48 VAL QG 4.800 . 4.800 2.393 1.815 3.305 . 0 0 "[ . 1 . 2]" 1
442 1 38 ARG HD3 1 48 VAL QG 4.800 . 4.800 2.568 1.873 3.463 . 0 0 "[ . 1 . 2]" 1
443 1 38 ARG QG 1 94 TYR HA 6.000 . 6.000 4.360 3.446 5.102 . 0 0 "[ . 1 . 2]" 1
444 1 38 ARG N 1 46 GLU O 3.000 . 3.000 2.636 2.503 2.745 . 0 0 "[ . 1 . 2]" 1
445 1 38 ARG O 1 46 GLU H 2.000 . 2.000 1.984 1.818 2.042 0.042 18 0 "[ . 1 . 2]" 1
446 1 38 ARG O 1 46 GLU N 3.000 . 3.000 2.939 2.790 3.009 0.009 10 0 "[ . 1 . 2]" 1
447 1 39 GLN H 1 93 VAL H 2.800 . 2.800 2.821 2.771 2.851 0.051 3 0 "[ . 1 . 2]" 1
448 1 39 GLN QB 1 40 ALA H 4.300 . 4.300 3.330 2.399 3.824 . 0 0 "[ . 1 . 2]" 1
449 1 39 GLN QE 1 39 GLN QG 2.800 . 2.800 2.184 2.088 2.219 . 0 0 "[ . 1 . 2]" 1
450 1 39 GLN QE 1 44 GLU HA 3.400 . 3.400 2.427 1.931 2.831 . 0 0 "[ . 1 . 2]" 1
451 1 39 GLN QE 1 45 ARG H 3.300 . 3.300 2.713 2.131 2.946 . 0 0 "[ . 1 . 2]" 1
452 1 39 GLN HE21 1 44 GLU HA 3.800 . 3.800 3.032 2.353 3.748 . 0 0 "[ . 1 . 2]" 1
453 1 39 GLN HE21 1 45 ARG H 3.600 . 3.600 3.003 2.146 3.613 0.013 8 0 "[ . 1 . 2]" 1
454 1 39 GLN HE22 1 39 GLN HG2 3.700 . 3.700 3.581 3.440 3.729 0.029 9 0 "[ . 1 . 2]" 1
455 1 39 GLN HE22 1 39 GLN HG3 3.700 . 3.700 3.651 3.502 3.792 0.092 8 0 "[ . 1 . 2]" 1
456 1 39 GLN HE22 1 44 GLU HA 3.800 . 3.800 2.845 1.939 3.805 0.005 7 0 "[ . 1 . 2]" 1
457 1 39 GLN HE22 1 45 ARG H 3.600 . 3.600 3.382 2.539 3.629 0.029 7 0 "[ . 1 . 2]" 1
458 1 39 GLN O 1 93 VAL H 2.500 . 2.500 2.181 1.798 2.500 0.002 16 0 "[ . 1 . 2]" 1
459 1 40 ALA H 1 40 ALA MB 3.400 . 3.400 2.478 2.219 2.837 . 0 0 "[ . 1 . 2]" 1
460 1 40 ALA MB 1 41 PRO QD 4.100 . 4.100 2.032 1.896 2.357 . 0 0 "[ . 1 . 2]" 1
461 1 40 ALA MB 1 92 ALA HA 5.700 . 5.700 4.038 3.386 4.649 . 0 0 "[ . 1 . 2]" 1
462 1 40 ALA O 1 43 LYS H 2.500 . 2.500 2.271 2.067 2.405 . 0 0 "[ . 1 . 2]" 1
463 1 41 PRO HA 1 42 GLY H 2.400 . 2.400 2.145 2.135 2.156 . 0 0 "[ . 1 . 2]" 1
464 1 41 PRO HA 1 43 LYS H 3.100 . 3.100 3.223 3.216 3.230 0.130 10 0 "[ . 1 . 2]" 1
465 1 41 PRO QB 1 42 GLY H 4.000 . 4.000 3.161 3.104 3.212 . 0 0 "[ . 1 . 2]" 1
466 1 42 GLY H 1 42 GLY HA2 2.900 . 2.900 2.303 2.298 2.315 . 0 0 "[ . 1 . 2]" 1
467 1 42 GLY H 1 42 GLY QA 2.600 . 2.600 2.211 2.205 2.225 . 0 0 "[ . 1 . 2]" 1
468 1 42 GLY H 1 42 GLY HA3 2.900 . 2.900 2.853 2.837 2.881 . 0 0 "[ . 1 . 2]" 1
469 1 42 GLY H 1 43 LYS H 2.900 . 2.900 2.649 2.629 2.681 . 0 0 "[ . 1 . 2]" 1
470 1 43 LYS H 1 43 LYS HB2 2.800 . 2.800 2.587 2.511 2.822 0.022 14 0 "[ . 1 . 2]" 1
471 1 43 LYS H 1 43 LYS QB 2.600 . 2.600 2.389 2.361 2.430 . 0 0 "[ . 1 . 2]" 1
472 1 43 LYS H 1 43 LYS HB3 2.800 . 2.800 2.824 2.646 2.879 0.079 18 0 "[ . 1 . 2]" 1
473 1 43 LYS H 1 43 LYS QD 5.000 . 5.000 4.278 4.096 4.508 . 0 0 "[ . 1 . 2]" 1
474 1 43 LYS H 1 44 GLU H 4.400 . 4.400 4.404 4.295 4.466 0.066 8 0 "[ . 1 . 2]" 1
475 1 43 LYS QB 1 43 LYS QD 2.800 . 2.800 2.031 1.933 2.195 . 0 0 "[ . 1 . 2]" 1
476 1 43 LYS HB2 1 43 LYS HD2 4.200 . 4.200 2.790 1.987 3.515 . 0 0 "[ . 1 . 2]" 1
477 1 43 LYS HB2 1 43 LYS HD3 4.200 . 4.200 2.664 1.976 4.020 . 0 0 "[ . 1 . 2]" 1
478 1 43 LYS HB3 1 43 LYS HD2 4.200 . 4.200 3.445 1.987 4.189 . 0 0 "[ . 1 . 2]" 1
479 1 43 LYS HB3 1 43 LYS HD3 4.200 . 4.200 3.245 2.419 3.588 . 0 0 "[ . 1 . 2]" 1
480 1 43 LYS QG 1 44 GLU H 5.800 . 5.800 1.943 1.907 1.994 . 0 0 "[ . 1 . 2]" 1
481 1 44 GLU H 1 44 GLU HA 2.900 . 2.900 2.923 2.845 2.939 0.039 16 0 "[ . 1 . 2]" 1
482 1 44 GLU H 1 44 GLU QB 3.300 . 3.300 2.741 2.561 2.951 . 0 0 "[ . 1 . 2]" 1
483 1 44 GLU H 1 44 GLU QG 4.300 . 4.300 2.320 1.929 3.112 . 0 0 "[ . 1 . 2]" 1
484 1 44 GLU HA 1 44 GLU QB 2.600 . 2.600 2.237 2.167 2.318 . 0 0 "[ . 1 . 2]" 1
485 1 44 GLU HA 1 45 ARG H 2.700 . 2.700 2.572 2.339 2.709 0.009 2 0 "[ . 1 . 2]" 1
486 1 44 GLU QB 1 45 ARG H 3.100 . 3.100 2.168 1.942 2.621 . 0 0 "[ . 1 . 2]" 1
487 1 44 GLU HB2 1 45 ARG H 3.500 . 3.500 2.636 1.951 3.512 0.012 3 0 "[ . 1 . 2]" 1
488 1 44 GLU HB3 1 45 ARG H 3.500 . 3.500 2.936 1.996 3.517 0.017 9 0 "[ . 1 . 2]" 1
489 1 44 GLU QG 1 45 ARG H 6.000 . 6.000 3.747 2.840 4.471 . 0 0 "[ . 1 . 2]" 1
490 1 45 ARG H 1 45 ARG QB 3.000 . 3.000 2.391 2.086 2.678 . 0 0 "[ . 1 . 2]" 1
491 1 45 ARG H 1 45 ARG QG 4.500 . 4.500 2.887 2.154 3.956 . 0 0 "[ . 1 . 2]" 1
492 1 45 ARG HA 1 46 GLU H 2.400 . 2.400 2.186 2.136 2.267 . 0 0 "[ . 1 . 2]" 1
493 1 45 ARG QB 1 46 GLU H 3.700 . 3.700 3.176 2.882 3.372 . 0 0 "[ . 1 . 2]" 1
494 1 45 ARG HE 1 107 TRP HH2 3.400 . 3.400 3.045 2.260 3.411 0.011 11 0 "[ . 1 . 2]" 1
495 1 45 ARG QG 1 46 GLU H 4.500 . 4.500 3.369 1.885 4.017 . 0 0 "[ . 1 . 2]" 1
496 1 46 GLU H 1 46 GLU QB 3.400 . 3.400 3.037 2.907 3.102 . 0 0 "[ . 1 . 2]" 1
497 1 46 GLU H 1 46 GLU HG2 3.900 . 3.900 2.476 2.065 3.338 . 0 0 "[ . 1 . 2]" 1
498 1 46 GLU H 1 46 GLU QG 3.300 . 3.300 2.352 2.052 2.757 . 0 0 "[ . 1 . 2]" 1
499 1 46 GLU H 1 46 GLU HG3 3.900 . 3.900 3.348 2.474 3.837 . 0 0 "[ . 1 . 2]" 1
500 1 46 GLU HA 1 47 SER H 2.400 . 2.400 2.298 2.161 2.442 0.042 14 0 "[ . 1 . 2]" 1
501 1 46 GLU HA 1 47 SER QB 4.600 . 4.600 4.052 3.993 4.099 . 0 0 "[ . 1 . 2]" 1
502 1 46 GLU QB 1 47 SER H 3.800 . 3.800 2.807 2.372 3.383 . 0 0 "[ . 1 . 2]" 1
503 1 47 SER H 1 47 SER HB2 2.900 . 2.900 2.744 2.429 2.948 0.048 16 0 "[ . 1 . 2]" 1
504 1 47 SER H 1 47 SER QB 2.700 . 2.700 2.282 2.114 2.441 . 0 0 "[ . 1 . 2]" 1
505 1 47 SER H 1 47 SER HB3 2.900 . 2.900 2.499 2.166 2.690 . 0 0 "[ . 1 . 2]" 1
506 1 47 SER H 1 48 VAL H 4.400 . 4.400 4.497 4.460 4.529 0.129 12 0 "[ . 1 . 2]" 1
507 1 47 SER QB 1 48 VAL H 3.400 . 3.400 3.045 2.936 3.085 . 0 0 "[ . 1 . 2]" 1
508 1 47 SER QB 1 59 TYR CG 7.900 . 7.900 6.018 5.482 6.598 . 0 0 "[ . 1 . 2]" 1
509 1 47 SER QB 1 59 TYR CZ 6.100 . 6.100 5.020 4.464 5.419 . 0 0 "[ . 1 . 2]" 1
510 1 47 SER HB2 1 48 VAL H 3.700 . 3.700 3.584 3.280 3.738 0.038 12 0 "[ . 1 . 2]" 1
511 1 47 SER HB3 1 48 VAL H 3.700 . 3.700 3.354 3.077 3.713 0.013 6 0 "[ . 1 . 2]" 1
512 1 48 VAL H 1 48 VAL QG . . 3.900 2.583 2.392 2.678 . 0 0 "[ . 1 . 2]" 1
513 1 48 VAL H 1 49 ALA H 2.600 . 2.600 2.439 2.201 2.523 . 0 0 "[ . 1 . 2]" 1
514 1 48 VAL HA 1 48 VAL HB 2.900 . 2.900 2.986 2.975 2.999 0.099 16 0 "[ . 1 . 2]" 1
515 1 48 VAL HA 1 49 ALA H 3.600 . 3.600 3.565 3.558 3.571 . 0 0 "[ . 1 . 2]" 1
516 1 48 VAL HA 1 59 TYR CZ 7.500 . 7.500 7.462 6.971 7.517 0.017 18 0 "[ . 1 . 2]" 1
517 1 48 VAL HA 1 61 ALA H 3.800 . 3.800 3.788 3.499 3.832 0.032 15 0 "[ . 1 . 2]" 1
518 1 48 VAL HA 1 61 ALA MB 3.900 . 3.900 2.008 1.835 2.491 . 0 0 "[ . 1 . 2]" 1
519 1 48 VAL HB 1 49 ALA H 2.400 . 2.400 1.990 1.905 2.194 . 0 0 "[ . 1 . 2]" 1
520 1 48 VAL HB 1 64 VAL QG 6.300 . 6.300 4.325 3.902 4.678 . 0 0 "[ . 1 . 2]" 1
521 1 48 VAL QG 1 49 ALA H 4.100 . 4.100 2.962 2.911 3.044 . 0 0 "[ . 1 . 2]" 1
522 1 48 VAL QG 1 61 ALA H 6.000 . 6.000 3.623 3.307 3.844 . 0 0 "[ . 1 . 2]" 1
523 1 48 VAL QG 1 64 VAL QG 7.500 . 7.500 2.048 1.745 2.461 0.055 4 0 "[ . 1 . 2]" 1
524 1 48 VAL QG 1 68 PHE CZ 7.600 . 7.600 4.216 3.666 4.486 . 0 0 "[ . 1 . 2]" 1
525 1 48 VAL O 1 61 ALA H 2.500 . 2.500 2.179 1.795 2.373 0.005 2 0 "[ . 1 . 2]" 1
526 1 49 ALA H 1 49 ALA MB 3.400 . 3.400 2.666 2.609 2.741 . 0 0 "[ . 1 . 2]" 1
527 1 49 ALA HA 1 50 ALA H 2.400 . 2.400 2.200 2.124 2.407 0.007 16 0 "[ . 1 . 2]" 1
528 1 49 ALA HA 1 50 ALA MB 4.600 . 4.600 3.846 3.719 3.872 . 0 0 "[ . 1 . 2]" 1
529 1 49 ALA HA 1 59 TYR CG 5.600 . 5.600 4.892 4.300 5.131 . 0 0 "[ . 1 . 2]" 1
530 1 49 ALA MB 1 50 ALA H 3.800 . 3.800 2.938 2.454 3.167 . 0 0 "[ . 1 . 2]" 1
531 1 49 ALA MB 1 60 TYR CG 5.400 . 5.400 3.734 2.977 4.025 . 0 0 "[ . 1 . 2]" 1
532 1 49 ALA MB 1 60 TYR CZ 5.400 . 5.400 4.141 2.861 4.499 . 0 0 "[ . 1 . 2]" 1
533 1 49 ALA MB 1 70 ILE HA 5.800 . 5.800 4.587 4.003 4.838 . 0 0 "[ . 1 . 2]" 1
534 1 50 ALA H 1 59 TYR CG 5.700 . 5.700 4.089 3.942 4.248 . 0 0 "[ . 1 . 2]" 1
535 1 50 ALA H 1 59 TYR H 2.600 . 2.600 2.567 2.458 2.624 0.024 16 0 "[ . 1 . 2]" 1
536 1 50 ALA H 1 59 TYR HB2 4.300 . 4.300 4.255 4.087 4.328 0.028 14 0 "[ . 1 . 2]" 1
537 1 50 ALA H 1 59 TYR QB 4.100 . 4.100 2.624 2.445 2.706 . 0 0 "[ . 1 . 2]" 1
538 1 50 ALA H 1 59 TYR HB3 4.300 . 4.300 2.649 2.464 2.735 . 0 0 "[ . 1 . 2]" 1
539 1 50 ALA H 1 59 TYR O 2.000 . 2.000 1.991 1.787 2.040 0.040 19 0 "[ . 1 . 2]" 1
540 1 50 ALA HA 1 51 ILE H 2.400 . 2.400 2.231 2.194 2.275 . 0 0 "[ . 1 . 2]" 1
541 1 50 ALA MB 1 51 ILE H 3.400 . 3.400 2.849 2.835 2.862 . 0 0 "[ . 1 . 2]" 1
542 1 50 ALA MB 1 59 TYR CG 5.700 . 5.700 3.596 3.315 4.130 . 0 0 "[ . 1 . 2]" 1
543 1 50 ALA MB 1 59 TYR CZ 8.000 . 8.000 5.144 4.855 5.669 . 0 0 "[ . 1 . 2]" 1
544 1 50 ALA MB 1 104 TRP HZ2 3.400 . 3.400 2.720 2.382 2.843 . 0 0 "[ . 1 . 2]" 1
545 1 50 ALA MB 1 104 TRP HZ3 5.900 . 5.900 3.407 3.035 3.923 . 0 0 "[ . 1 . 2]" 1
546 1 50 ALA N 1 59 TYR O 3.000 . 3.000 2.885 2.699 2.950 . 0 0 "[ . 1 . 2]" 1
547 1 50 ALA O 1 59 TYR H 2.000 . 2.000 1.803 1.749 1.982 0.051 13 0 "[ . 1 . 2]" 1
548 1 50 ALA O 1 59 TYR N 3.000 . 3.000 2.500 2.430 2.554 . 0 0 "[ . 1 . 2]" 1
549 1 51 ILE H 1 51 ILE HB 3.100 . 3.100 3.123 3.059 3.291 0.191 1 0 "[ . 1 . 2]" 1
550 1 51 ILE H 1 51 ILE QG 3.400 . 3.400 2.186 1.897 2.361 . 0 0 "[ . 1 . 2]" 1
551 1 51 ILE H 1 70 ILE QG 6.400 . 6.400 4.370 4.005 4.604 . 0 0 "[ . 1 . 2]" 1
552 1 51 ILE HA 1 52 ASN H 2.400 . 2.400 2.215 2.161 2.259 . 0 0 "[ . 1 . 2]" 1
553 1 51 ILE HA 1 58 THR HA 2.700 . 2.700 2.128 1.988 2.260 . 0 0 "[ . 1 . 2]" 1
554 1 51 ILE HA 1 59 TYR H 3.600 . 3.600 3.581 3.492 3.639 0.039 13 0 "[ . 1 . 2]" 1
555 1 51 ILE HB 1 52 ASN H 4.000 . 4.000 3.987 3.195 4.067 0.067 16 0 "[ . 1 . 2]" 1
556 1 51 ILE HB 1 58 THR HA 4.500 . 4.500 3.694 3.188 4.531 0.031 1 0 "[ . 1 . 2]" 1
557 1 51 ILE QG 1 52 ASN H 4.700 . 4.700 2.153 1.910 2.813 . 0 0 "[ . 1 . 2]" 1
558 1 52 ASN H 1 52 ASN HB2 3.400 . 3.400 2.550 2.132 3.537 0.137 7 0 "[ . 1 . 2]" 1
559 1 52 ASN H 1 52 ASN QB 2.900 . 2.900 2.319 2.112 2.676 . 0 0 "[ . 1 . 2]" 1
560 1 52 ASN H 1 52 ASN HB3 3.400 . 3.400 3.058 2.402 3.552 0.152 19 0 "[ . 1 . 2]" 1
561 1 52 ASN H 1 57 ARG O 2.500 . 2.500 2.527 2.495 2.561 0.061 18 0 "[ . 1 . 2]" 1
562 1 52 ASN H 1 58 THR HG1 5.200 . 5.200 3.800 3.500 4.037 . 0 0 "[ . 1 . 2]" 1
563 1 52 ASN HA 1 52 ASN HB2 3.000 . 3.000 2.742 2.383 3.016 0.016 8 0 "[ . 1 . 2]" 1
564 1 52 ASN HA 1 52 ASN QB 2.700 . 2.700 2.386 2.166 2.492 . 0 0 "[ . 1 . 2]" 1
565 1 52 ASN HA 1 52 ASN HB3 3.000 . 3.000 2.729 2.342 3.019 0.019 11 0 "[ . 1 . 2]" 1
566 1 52 ASN HA 1 53 TRP H 2.900 . 2.900 2.608 2.342 2.917 0.017 16 0 "[ . 1 . 2]" 1
567 1 52 ASN HB2 1 53 TRP H 3.500 . 3.500 3.389 1.985 3.637 0.137 11 0 "[ . 1 . 2]" 1
568 1 52 ASN HB3 1 53 TRP H 3.500 . 3.500 2.601 1.955 3.559 0.059 1 0 "[ . 1 . 2]" 1
569 1 53 TRP H 1 53 TRP HB2 3.000 . 3.000 2.511 2.262 2.861 . 0 0 "[ . 1 . 2]" 1
570 1 53 TRP H 1 53 TRP QB 2.700 . 2.700 2.360 2.203 2.470 . 0 0 "[ . 1 . 2]" 1
571 1 53 TRP H 1 53 TRP HB3 3.000 . 3.000 2.935 2.672 3.135 0.135 2 0 "[ . 1 . 2]" 1
572 1 53 TRP H 1 53 TRP HD1 5.300 . 5.300 5.092 4.593 5.346 0.046 11 0 "[ . 1 . 2]" 1
573 1 53 TRP HA 1 53 TRP HE3 3.000 . 3.000 2.702 1.994 3.022 0.022 7 0 "[ . 1 . 2]" 1
574 1 53 TRP QB 1 53 TRP HE3 3.500 . 3.500 2.902 2.644 3.204 . 0 0 "[ . 1 . 2]" 1
575 1 53 TRP HZ2 1 77 LYS HA 4.500 . 4.500 4.357 3.574 4.516 0.016 16 0 "[ . 1 . 2]" 1
576 1 55 SER H 1 56 ALA H 3.400 . 3.400 2.903 2.469 3.411 0.011 3 0 "[ . 1 . 2]" 1
577 1 56 ALA H 1 56 ALA HA 2.900 . 2.900 2.864 2.288 2.939 0.039 11 0 "[ . 1 . 2]" 1
578 1 56 ALA H 1 56 ALA MB 3.400 . 3.400 2.545 2.134 2.953 . 0 0 "[ . 1 . 2]" 1
579 1 56 ALA H 1 57 ARG H 2.600 . 2.600 2.474 1.823 2.687 0.087 16 0 "[ . 1 . 2]" 1
580 1 56 ALA MB 1 57 ARG H 3.600 . 3.600 2.287 1.954 3.074 . 0 0 "[ . 1 . 2]" 1
581 1 57 ARG H 1 57 ARG QB 3.300 . 3.300 2.804 2.064 3.055 . 0 0 "[ . 1 . 2]" 1
582 1 57 ARG QB 1 58 THR H 3.600 . 3.600 2.442 1.675 3.220 0.125 9 0 "[ . 1 . 2]" 1
583 1 58 THR H 1 58 THR HB 3.100 . 3.100 3.118 3.071 3.170 0.070 16 0 "[ . 1 . 2]" 1
584 1 58 THR H 1 58 THR HG1 4.100 . 4.100 2.635 2.178 3.228 . 0 0 "[ . 1 . 2]" 1
585 1 58 THR HA 1 58 THR HB 2.900 . 2.900 2.914 2.889 2.936 0.036 11 0 "[ . 1 . 2]" 1
586 1 58 THR HA 1 59 TYR H 2.600 . 2.600 2.597 2.560 2.622 0.022 11 0 "[ . 1 . 2]" 1
587 1 58 THR HA 1 70 ILE QG 5.700 . 5.700 4.247 4.054 4.373 . 0 0 "[ . 1 . 2]" 1
588 1 58 THR HB 1 59 TYR H 2.500 . 2.500 2.502 2.438 2.521 0.021 16 0 "[ . 1 . 2]" 1
589 1 58 THR HB 1 60 TYR CG 7.000 . 7.000 4.468 3.771 5.182 . 0 0 "[ . 1 . 2]" 1
590 1 58 THR HB 1 60 TYR CZ 5.500 . 5.500 4.061 2.723 5.063 . 0 0 "[ . 1 . 2]" 1
591 1 58 THR HB 1 70 ILE QG 3.800 . 3.800 2.883 2.571 2.941 . 0 0 "[ . 1 . 2]" 1
592 1 58 THR HG1 1 59 TYR H 4.300 . 4.300 2.229 1.973 2.377 . 0 0 "[ . 1 . 2]" 1
593 1 58 THR HG1 1 60 TYR CZ 5.600 . 5.600 3.953 3.256 4.455 . 0 0 "[ . 1 . 2]" 1
594 1 59 TYR CG 1 61 ALA MB 8.000 . 8.000 5.636 5.289 5.985 . 0 0 "[ . 1 . 2]" 1
595 1 59 TYR CZ 1 61 ALA H 7.000 . 7.000 6.445 5.975 6.768 . 0 0 "[ . 1 . 2]" 1
596 1 59 TYR CZ 1 61 ALA MB 6.200 . 6.200 4.862 4.523 5.161 . 0 0 "[ . 1 . 2]" 1
597 1 59 TYR H 1 59 TYR HB2 3.300 . 3.300 3.329 3.284 3.361 0.061 18 0 "[ . 1 . 2]" 1
598 1 59 TYR H 1 59 TYR QB 2.900 . 2.900 2.587 2.533 2.626 . 0 0 "[ . 1 . 2]" 1
599 1 59 TYR H 1 59 TYR HB3 3.300 . 3.300 2.697 2.621 2.762 . 0 0 "[ . 1 . 2]" 1
600 1 60 TYR CG 1 61 ALA H 6.900 . 6.900 4.070 3.674 4.579 . 0 0 "[ . 1 . 2]" 1
601 1 60 TYR CG 1 64 VAL QG 7.000 . 7.000 4.858 4.644 5.125 . 0 0 "[ . 1 . 2]" 1
602 1 60 TYR CG 1 65 ARG HA 4.000 . 4.000 3.610 3.335 3.864 . 0 0 "[ . 1 . 2]" 1
603 1 60 TYR CG 1 70 ILE HB 6.600 . 6.600 5.808 5.281 6.249 . 0 0 "[ . 1 . 2]" 1
604 1 60 TYR CG 1 70 ILE QG 6.500 . 6.500 4.080 3.216 4.558 . 0 0 "[ . 1 . 2]" 1
605 1 60 TYR CZ 1 68 PHE QB 8.000 . 8.000 5.138 3.834 6.073 . 0 0 "[ . 1 . 2]" 1
606 1 60 TYR CZ 1 69 THR HA 5.000 . 5.000 3.915 3.401 4.860 . 0 0 "[ . 1 . 2]" 1
607 1 60 TYR CZ 1 70 ILE H 4.900 . 4.900 4.046 2.976 4.744 . 0 0 "[ . 1 . 2]" 1
608 1 60 TYR CZ 1 70 ILE HB 5.600 . 5.600 4.492 2.949 5.251 . 0 0 "[ . 1 . 2]" 1
609 1 60 TYR CZ 1 70 ILE MD 7.100 . 7.100 5.609 5.058 5.929 . 0 0 "[ . 1 . 2]" 1
610 1 60 TYR CZ 1 70 ILE QG 5.500 . 5.500 2.626 2.299 3.000 . 0 0 "[ . 1 . 2]" 1
611 1 60 TYR H 1 60 TYR HB2 3.500 . 3.500 2.390 2.242 2.641 . 0 0 "[ . 1 . 2]" 1
612 1 60 TYR H 1 60 TYR HB3 3.500 . 3.500 3.571 3.507 3.609 0.109 5 0 "[ . 1 . 2]" 1
613 1 60 TYR HB2 1 61 ALA H 3.800 . 3.800 3.793 3.559 3.836 0.036 14 0 "[ . 1 . 2]" 1
614 1 60 TYR HB3 1 61 ALA H 3.800 . 3.800 2.555 2.287 2.974 . 0 0 "[ . 1 . 2]" 1
615 1 61 ALA HA 1 62 SER H 2.700 . 2.700 2.426 2.339 2.543 . 0 0 "[ . 1 . 2]" 1
616 1 61 ALA MB 1 62 SER H 3.500 . 3.500 2.375 2.141 2.590 . 0 0 "[ . 1 . 2]" 1
617 1 61 ALA MB 1 64 VAL QG 6.000 . 6.000 2.808 2.413 3.502 . 0 0 "[ . 1 . 2]" 1
618 1 61 ALA O 1 64 VAL H 2.500 . 2.500 2.530 2.481 2.560 0.060 15 0 "[ . 1 . 2]" 1
619 1 62 SER H 1 62 SER HA 2.800 . 2.800 2.845 2.833 2.873 0.073 10 0 "[ . 1 . 2]" 1
620 1 62 SER HA 1 63 SER H 2.800 . 2.800 2.443 2.262 2.846 0.046 10 0 "[ . 1 . 2]" 1
621 1 62 SER HA 1 65 ARG H 3.200 . 3.200 3.245 3.232 3.273 0.073 16 0 "[ . 1 . 2]" 1
622 1 63 SER H 1 64 VAL H 2.600 . 2.600 2.383 1.801 2.629 0.029 11 0 "[ . 1 . 2]" 1
623 1 63 SER HA 1 64 VAL QG 6.800 . 6.800 3.863 3.776 3.968 . 0 0 "[ . 1 . 2]" 1
624 1 63 SER QB 1 64 VAL QG . . 5.700 2.623 2.336 3.326 . 0 0 "[ . 1 . 2]" 1
625 1 64 VAL H 1 64 VAL HA 2.900 . 2.900 2.899 2.886 2.916 0.016 6 0 "[ . 1 . 2]" 1
626 1 64 VAL H 1 64 VAL QG . . 3.200 2.265 2.168 2.373 . 0 0 "[ . 1 . 2]" 1
627 1 64 VAL H 1 65 ARG H 2.700 . 2.700 1.868 1.799 1.952 0.001 19 0 "[ . 1 . 2]" 1
628 1 64 VAL HA 1 64 VAL HB 2.700 . 2.700 2.462 2.407 2.512 . 0 0 "[ . 1 . 2]" 1
629 1 64 VAL HA 1 65 ARG H 3.200 . 3.200 3.120 3.051 3.203 0.003 6 0 "[ . 1 . 2]" 1
630 1 64 VAL HA 1 67 ARG HE 3.300 . 3.300 2.485 1.959 3.334 0.034 1 0 "[ . 1 . 2]" 1
631 1 64 VAL HB 1 67 ARG HE 4.400 . 4.400 4.179 3.275 4.420 0.020 12 0 "[ . 1 . 2]" 1
632 1 64 VAL HB 1 68 PHE H 3.400 . 3.400 2.734 2.109 3.178 . 0 0 "[ . 1 . 2]" 1
633 1 64 VAL QG 1 65 ARG H . . 4.200 3.103 2.969 3.148 . 0 0 "[ . 1 . 2]" 1
634 1 64 VAL QG 1 67 ARG HE 7.600 . 7.600 2.861 1.959 3.755 . 0 0 "[ . 1 . 2]" 1
635 1 64 VAL QG 1 68 PHE CG 7.400 . 7.400 2.837 2.386 3.364 . 0 0 "[ . 1 . 2]" 1
636 1 64 VAL QG 1 68 PHE H . . 4.800 3.409 2.955 3.574 . 0 0 "[ . 1 . 2]" 1
637 1 64 VAL QG 1 68 PHE HA 7.600 . 7.600 4.500 4.080 4.949 . 0 0 "[ . 1 . 2]" 1
638 1 64 VAL QG 1 68 PHE QB 7.100 . 7.100 2.511 1.946 3.005 . 0 0 "[ . 1 . 2]" 1
639 1 64 VAL QG 1 68 PHE HZ 5.100 . 5.100 2.904 2.669 3.284 . 0 0 "[ . 1 . 2]" 1
640 1 64 VAL QG 1 94 TYR HH 8.400 . 8.400 4.048 3.432 4.439 . 0 0 "[ . 1 . 2]" 1
641 1 64 VAL O 1 68 PHE H 2.500 . 2.500 2.379 2.171 2.510 0.010 10 0 "[ . 1 . 2]" 1
642 1 65 ARG H 1 65 ARG HA 2.800 . 2.800 2.821 2.773 2.853 0.053 3 0 "[ . 1 . 2]" 1
643 1 65 ARG H 1 65 ARG HB2 2.800 . 2.800 2.408 2.162 2.834 0.034 18 0 "[ . 1 . 2]" 1
644 1 65 ARG H 1 65 ARG HB3 2.800 . 2.800 2.635 2.208 2.864 0.064 4 0 "[ . 1 . 2]" 1
645 1 65 ARG H 1 65 ARG QD 5.100 . 5.100 4.448 4.242 4.562 . 0 0 "[ . 1 . 2]" 1
646 1 65 ARG H 1 65 ARG QG 4.200 . 4.200 3.810 3.778 3.873 . 0 0 "[ . 1 . 2]" 1
647 1 65 ARG H 1 66 GLY H 3.800 . 3.800 3.904 3.884 3.963 0.163 1 0 "[ . 1 . 2]" 1
648 1 65 ARG HA 1 65 ARG QG 3.500 . 3.500 2.387 2.083 3.130 . 0 0 "[ . 1 . 2]" 1
649 1 65 ARG HA 1 66 GLY H 2.400 . 2.400 2.252 2.180 2.276 . 0 0 "[ . 1 . 2]" 1
650 1 65 ARG HA 1 67 ARG H 3.700 . 3.700 3.789 3.755 3.818 0.118 7 0 "[ . 1 . 2]" 1
651 1 65 ARG QB 1 66 GLY H 4.400 . 4.400 3.959 3.942 3.989 . 0 0 "[ . 1 . 2]" 1
652 1 65 ARG HB2 1 66 GLY H 4.700 . 4.700 4.544 4.423 4.603 . 0 0 "[ . 1 . 2]" 1
653 1 65 ARG HB3 1 66 GLY H 4.700 . 4.700 4.367 4.289 4.508 . 0 0 "[ . 1 . 2]" 1
654 1 65 ARG QG 1 66 GLY H 4.800 . 4.800 3.830 3.638 4.289 . 0 0 "[ . 1 . 2]" 1
655 1 66 GLY H 1 66 GLY HA2 2.900 . 2.900 2.555 2.456 2.651 . 0 0 "[ . 1 . 2]" 1
656 1 66 GLY H 1 66 GLY QA 2.700 . 2.700 2.404 2.340 2.456 . 0 0 "[ . 1 . 2]" 1
657 1 66 GLY H 1 66 GLY HA3 2.900 . 2.900 2.933 2.904 2.945 0.045 4 0 "[ . 1 . 2]" 1
658 1 66 GLY H 1 67 ARG H 2.700 . 2.700 1.866 1.782 1.985 0.018 16 0 "[ . 1 . 2]" 1
659 1 67 ARG H 1 67 ARG QB 3.400 . 3.400 2.859 2.648 3.085 . 0 0 "[ . 1 . 2]" 1
660 1 67 ARG H 1 67 ARG HG2 3.300 . 3.300 2.844 1.801 3.415 0.115 1 0 "[ . 1 . 2]" 1
661 1 67 ARG H 1 67 ARG QG 2.900 . 2.900 2.237 1.783 2.585 0.017 1 0 "[ . 1 . 2]" 1
662 1 67 ARG H 1 67 ARG HG3 3.300 . 3.300 2.604 1.789 3.410 0.110 7 0 "[ . 1 . 2]" 1
663 1 67 ARG H 1 68 PHE H 2.700 . 2.700 2.082 1.928 2.239 . 0 0 "[ . 1 . 2]" 1
664 1 67 ARG HA 1 67 ARG QG 4.000 . 4.000 2.920 2.532 3.401 . 0 0 "[ . 1 . 2]" 1
665 1 67 ARG QB 1 68 PHE H 4.200 . 4.200 2.840 2.286 3.472 . 0 0 "[ . 1 . 2]" 1
666 1 67 ARG HE 1 67 ARG QG 3.700 . 3.700 2.576 2.066 3.322 . 0 0 "[ . 1 . 2]" 1
667 1 68 PHE CG 1 68 PHE HA 3.400 . 3.400 2.674 2.629 2.775 . 0 0 "[ . 1 . 2]" 1
668 1 68 PHE CG 1 69 THR HA 6.500 . 6.500 6.230 6.099 6.476 . 0 0 "[ . 1 . 2]" 1
669 1 68 PHE CG 1 83 MET HA 4.800 . 4.800 2.882 2.615 3.149 . 0 0 "[ . 1 . 2]" 1
670 1 68 PHE CG 1 83 MET QG 6.800 . 6.800 3.137 2.641 3.481 . 0 0 "[ . 1 . 2]" 1
671 1 68 PHE CG 1 94 TYR HH 7.500 . 7.500 5.493 5.015 5.894 . 0 0 "[ . 1 . 2]" 1
672 1 68 PHE CZ 1 68 PHE H 5.500 . 5.500 5.377 5.150 5.503 0.003 13 0 "[ . 1 . 2]" 1
673 1 68 PHE CZ 1 68 PHE HA 5.400 . 5.400 4.888 4.813 5.049 . 0 0 "[ . 1 . 2]" 1
674 1 68 PHE CZ 1 83 MET HA 6.100 . 6.100 4.015 3.790 4.375 . 0 0 "[ . 1 . 2]" 1
675 1 68 PHE CZ 1 83 MET QG 7.800 . 7.800 3.368 3.130 3.591 . 0 0 "[ . 1 . 2]" 1
676 1 68 PHE CZ 1 86 LEU QD 9.400 . 9.400 2.979 2.443 3.483 . 0 0 "[ . 1 . 2]" 1
677 1 68 PHE CZ 1 87 LYS QB 8.000 . 8.000 6.257 5.644 6.984 . 0 0 "[ . 1 . 2]" 1
678 1 68 PHE CZ 1 90 ASP HB2 7.500 . 7.500 5.040 4.065 5.206 . 0 0 "[ . 1 . 2]" 1
679 1 68 PHE CZ 1 90 ASP HB3 7.500 . 7.500 4.334 3.648 4.621 . 0 0 "[ . 1 . 2]" 1
680 1 68 PHE CZ 1 94 TYR CZ 7.400 . 7.400 4.727 4.339 5.052 . 0 0 "[ . 1 . 2]" 1
681 1 68 PHE CZ 1 94 TYR HH 7.500 . 7.500 3.297 2.780 3.818 . 0 0 "[ . 1 . 2]" 1
682 1 68 PHE H 1 68 PHE HA 2.900 . 2.900 2.891 2.841 2.922 0.022 10 0 "[ . 1 . 2]" 1
683 1 68 PHE H 1 68 PHE QB 3.400 . 3.400 2.298 2.234 2.460 . 0 0 "[ . 1 . 2]" 1
684 1 68 PHE HA 1 69 THR H 2.400 . 2.400 2.257 2.150 2.388 . 0 0 "[ . 1 . 2]" 1
685 1 68 PHE HA 1 83 MET HA 2.400 . 2.400 2.327 2.042 2.433 0.033 19 0 "[ . 1 . 2]" 1
686 1 68 PHE HA 1 84 ASN H 3.200 . 3.200 2.545 2.047 2.959 . 0 0 "[ . 1 . 2]" 1
687 1 68 PHE QB 1 69 THR H 4.300 . 4.300 2.884 2.465 3.733 . 0 0 "[ . 1 . 2]" 1
688 1 68 PHE HZ 1 83 MET QG 4.700 . 4.700 3.951 3.662 4.191 . 0 0 "[ . 1 . 2]" 1
689 1 68 PHE HZ 1 86 LEU QD 7.400 . 7.400 2.773 2.198 3.199 . 0 0 "[ . 1 . 2]" 1
690 1 68 PHE HZ 1 86 LEU HG 2.900 . 2.900 2.844 2.371 2.914 0.014 10 0 "[ . 1 . 2]" 1
691 1 68 PHE HZ 1 90 ASP HB2 4.100 . 4.100 3.972 3.035 4.126 0.026 5 0 "[ . 1 . 2]" 1
692 1 68 PHE HZ 1 90 ASP QB 3.800 . 3.800 3.162 2.610 3.396 . 0 0 "[ . 1 . 2]" 1
693 1 68 PHE HZ 1 90 ASP HB3 4.100 . 4.100 3.343 2.682 3.640 . 0 0 "[ . 1 . 2]" 1
694 1 68 PHE HZ 1 94 TYR HH 5.200 . 5.200 2.744 2.264 3.306 . 0 0 "[ . 1 . 2]" 1
695 1 69 THR H 1 69 THR HB 2.700 . 2.700 2.658 2.445 2.723 0.023 16 0 "[ . 1 . 2]" 1
696 1 69 THR H 1 82 GLN H 3.300 . 3.300 3.211 2.718 3.325 0.025 18 0 "[ . 1 . 2]" 1
697 1 69 THR H 1 82 GLN O 2.000 . 2.000 1.842 1.781 2.005 0.019 16 0 "[ . 1 . 2]" 1
698 1 69 THR HA 1 70 ILE H 2.400 . 2.400 2.258 2.104 2.337 . 0 0 "[ . 1 . 2]" 1
699 1 69 THR HA 1 70 ILE QG 4.400 . 4.400 3.406 3.377 3.458 . 0 0 "[ . 1 . 2]" 1
700 1 69 THR HB 1 70 ILE H 4.900 . 4.900 3.763 3.516 4.439 . 0 0 "[ . 1 . 2]" 1
701 1 69 THR HB 1 82 GLN H 5.000 . 5.000 2.511 2.180 2.943 . 0 0 "[ . 1 . 2]" 1
702 1 69 THR HB 1 82 GLN HB2 2.800 . 2.800 2.673 2.348 2.842 0.042 16 0 "[ . 1 . 2]" 1
703 1 69 THR HB 1 82 GLN HB3 2.800 . 2.800 1.999 1.810 2.218 . 0 0 "[ . 1 . 2]" 1
704 1 69 THR HB 1 82 GLN QG 4.600 . 4.600 4.049 3.570 4.139 . 0 0 "[ . 1 . 2]" 1
705 1 69 THR HG1 1 70 ILE H 4.000 . 4.000 2.155 1.933 3.196 . 0 0 "[ . 1 . 2]" 1
706 1 69 THR HG1 1 82 GLN H 5.000 . 5.000 3.385 3.191 3.628 . 0 0 "[ . 1 . 2]" 1
707 1 69 THR N 1 82 GLN O 3.000 . 3.000 2.737 2.590 2.911 . 0 0 "[ . 1 . 2]" 1
708 1 69 THR O 1 82 GLN H 2.000 . 2.000 1.999 1.748 2.044 0.052 15 0 "[ . 1 . 2]" 1
709 1 69 THR O 1 82 GLN N 3.000 . 3.000 2.682 2.620 2.788 . 0 0 "[ . 1 . 2]" 1
710 1 70 ILE H 1 70 ILE HB 3.600 . 3.600 3.250 2.910 3.375 . 0 0 "[ . 1 . 2]" 1
711 1 70 ILE H 1 70 ILE QG 3.400 . 3.400 2.162 1.788 2.488 0.012 10 0 "[ . 1 . 2]" 1
712 1 70 ILE HA 1 70 ILE HB 2.400 . 2.400 2.427 2.369 2.450 0.050 20 0 "[ . 1 . 2]" 1
713 1 70 ILE HA 1 70 ILE MD 3.500 . 3.500 2.837 1.986 3.012 . 0 0 "[ . 1 . 2]" 1
714 1 70 ILE HA 1 71 SER H 2.400 . 2.400 2.193 2.148 2.259 . 0 0 "[ . 1 . 2]" 1
715 1 70 ILE HA 1 82 GLN H 4.600 . 4.600 3.377 3.106 3.680 . 0 0 "[ . 1 . 2]" 1
716 1 70 ILE HB 1 71 SER H 4.100 . 4.100 4.101 3.963 4.164 0.064 11 0 "[ . 1 . 2]" 1
717 1 70 ILE QG 1 71 SER H . . 4.000 2.476 2.039 2.775 . 0 0 "[ . 1 . 2]" 1
718 1 71 SER H 1 71 SER QB 3.800 . 3.800 2.992 2.729 3.373 . 0 0 "[ . 1 . 2]" 1
719 1 71 SER H 1 80 TYR H 2.900 . 2.900 2.924 2.895 3.000 0.100 11 0 "[ . 1 . 2]" 1
720 1 71 SER H 1 80 TYR O 2.500 . 2.500 1.883 1.778 2.299 0.022 2 0 "[ . 1 . 2]" 1
721 1 71 SER QB 1 72 ARG H 4.400 . 4.400 2.685 1.950 3.776 . 0 0 "[ . 1 . 2]" 1
722 1 71 SER N 1 80 TYR O 3.000 . 3.000 2.724 2.572 3.007 0.007 15 0 "[ . 1 . 2]" 1
723 1 71 SER O 1 80 TYR H 2.500 . 2.500 1.860 1.783 2.071 0.017 5 0 "[ . 1 . 2]" 1
724 1 71 SER O 1 80 TYR N 3.000 . 3.000 2.787 2.554 3.005 0.005 3 0 "[ . 1 . 2]" 1
725 1 72 ARG HA 1 79 VAL HA 3.800 . 3.800 2.216 1.983 2.499 . 0 0 "[ . 1 . 2]" 1
726 1 72 ARG HA 1 79 VAL HB 4.500 . 4.500 4.108 3.564 4.412 . 0 0 "[ . 1 . 2]" 1
727 1 72 ARG HA 1 79 VAL QG 5.900 . 5.900 3.206 2.699 3.740 . 0 0 "[ . 1 . 2]" 1
728 1 72 ARG QB 1 73 ASP H 4.500 . 4.500 2.716 2.184 3.600 . 0 0 "[ . 1 . 2]" 1
729 1 72 ARG QB 1 79 VAL HA 6.000 . 6.000 3.675 2.848 4.406 . 0 0 "[ . 1 . 2]" 1
730 1 72 ARG QG 1 73 ASP H 6.000 . 6.000 3.493 1.971 4.216 . 0 0 "[ . 1 . 2]" 1
731 1 73 ASP H 1 73 ASP HB2 3.000 . 3.000 2.582 2.209 2.771 . 0 0 "[ . 1 . 2]" 1
732 1 73 ASP H 1 73 ASP HB3 3.000 . 3.000 2.631 2.398 3.006 0.006 12 0 "[ . 1 . 2]" 1
733 1 73 ASP H 1 74 ASN H 2.600 . 2.600 2.358 2.148 2.598 . 0 0 "[ . 1 . 2]" 1
734 1 73 ASP H 1 78 THR H 4.400 . 4.400 3.383 2.805 3.674 . 0 0 "[ . 1 . 2]" 1
735 1 73 ASP H 1 78 THR O 2.000 . 2.000 1.981 1.833 2.033 0.033 16 0 "[ . 1 . 2]" 1
736 1 73 ASP HA 1 73 ASP HB2 3.000 . 3.000 2.530 2.412 2.726 . 0 0 "[ . 1 . 2]" 1
737 1 73 ASP HA 1 73 ASP HB3 3.000 . 3.000 3.008 2.945 3.023 0.023 2 0 "[ . 1 . 2]" 1
738 1 73 ASP QB 1 78 THR HB 4.800 . 4.800 2.361 1.851 3.785 . 0 0 "[ . 1 . 2]" 1
739 1 73 ASP QB 1 80 TYR CZ 4.200 . 4.200 2.881 2.475 3.390 . 0 0 "[ . 1 . 2]" 1
740 1 73 ASP HB2 1 78 THR HB 5.000 . 5.000 2.707 1.994 4.043 . 0 0 "[ . 1 . 2]" 1
741 1 73 ASP HB2 1 80 TYR CZ 4.400 . 4.400 2.930 2.500 3.519 . 0 0 "[ . 1 . 2]" 1
742 1 73 ASP HB3 1 78 THR HB 5.000 . 5.000 2.732 1.999 4.562 . 0 0 "[ . 1 . 2]" 1
743 1 73 ASP HB3 1 80 TYR CZ 4.400 . 4.400 4.354 3.957 4.450 0.050 4 0 "[ . 1 . 2]" 1
744 1 73 ASP N 1 78 THR O 3.000 . 3.000 2.893 2.649 3.002 0.002 14 0 "[ . 1 . 2]" 1
745 1 74 ASN H 1 74 ASN QB 3.500 . 3.500 2.989 2.889 3.124 . 0 0 "[ . 1 . 2]" 1
746 1 74 ASN H 1 75 ALA H 2.900 . 2.900 2.695 2.567 2.902 0.002 12 0 "[ . 1 . 2]" 1
747 1 75 ALA H 1 75 ALA HA 2.900 . 2.900 2.930 2.888 2.940 0.040 19 0 "[ . 1 . 2]" 1
748 1 75 ALA H 1 75 ALA MB 3.400 . 3.400 2.478 2.242 2.762 . 0 0 "[ . 1 . 2]" 1
749 1 75 ALA H 1 76 LYS H 2.700 . 2.700 2.174 1.964 2.640 . 0 0 "[ . 1 . 2]" 1
750 1 75 ALA H 1 77 LYS H 4.100 . 4.100 3.117 2.400 3.971 . 0 0 "[ . 1 . 2]" 1
751 1 75 ALA MB 1 76 LYS H 3.400 . 3.400 2.413 2.021 2.709 . 0 0 "[ . 1 . 2]" 1
752 1 76 LYS H 1 76 LYS QB 3.600 . 3.600 2.781 2.243 3.204 . 0 0 "[ . 1 . 2]" 1
753 1 76 LYS H 1 77 LYS H 2.900 . 2.900 2.373 2.152 2.662 . 0 0 "[ . 1 . 2]" 1
754 1 77 LYS H 1 77 LYS HA 2.600 . 2.600 2.360 2.268 2.722 0.122 2 0 "[ . 1 . 2]" 1
755 1 77 LYS H 1 78 THR H 2.800 . 2.800 2.739 1.994 2.815 0.015 6 0 "[ . 1 . 2]" 1
756 1 77 LYS HA 1 78 THR H 3.100 . 3.100 2.617 2.393 2.791 . 0 0 "[ . 1 . 2]" 1
757 1 78 THR H 1 78 THR HB 3.800 . 3.800 2.671 2.469 3.752 . 0 0 "[ . 1 . 2]" 1
758 1 78 THR H 1 78 THR HG1 4.400 . 4.400 3.070 2.259 3.505 . 0 0 "[ . 1 . 2]" 1
759 1 78 THR HA 1 79 VAL H 2.400 . 2.400 2.243 2.170 2.343 . 0 0 "[ . 1 . 2]" 1
760 1 78 THR HA 1 79 VAL QG 6.700 . 6.700 3.320 3.199 3.645 . 0 0 "[ . 1 . 2]" 1
761 1 78 THR HB 1 79 VAL H 3.900 . 3.900 3.860 2.903 3.933 0.033 16 0 "[ . 1 . 2]" 1
762 1 78 THR HB 1 80 TYR CZ 4.000 . 4.000 3.518 2.772 4.154 0.154 13 0 "[ . 1 . 2]" 1
763 1 78 THR HG1 1 79 VAL HA 6.000 . 6.000 3.633 3.361 3.866 . 0 0 "[ . 1 . 2]" 1
764 1 78 THR HG1 1 80 TYR CG 4.400 . 4.400 3.510 3.438 3.539 . 0 0 "[ . 1 . 2]" 1
765 1 78 THR HG1 1 80 TYR CZ 3.400 . 3.400 2.465 2.312 2.732 . 0 0 "[ . 1 . 2]" 1
766 1 79 VAL H 1 79 VAL HB 3.800 . 3.800 3.708 3.060 3.812 0.012 18 0 "[ . 1 . 2]" 1
767 1 79 VAL HA 1 79 VAL HB 2.400 . 2.400 2.440 2.406 2.478 0.078 19 0 "[ . 1 . 2]" 1
768 1 79 VAL HA 1 80 TYR H 2.500 . 2.500 2.229 2.156 2.366 . 0 0 "[ . 1 . 2]" 1
769 1 79 VAL HB 1 80 TYR H 4.000 . 4.000 3.016 2.519 4.098 0.098 13 0 "[ . 1 . 2]" 1
770 1 79 VAL QG 1 80 TYR H 5.700 . 5.700 3.285 2.175 3.499 . 0 0 "[ . 1 . 2]" 1
771 1 80 TYR CG 1 80 TYR HA 2.800 . 2.800 2.823 2.741 2.863 0.063 1 0 "[ . 1 . 2]" 1
772 1 80 TYR H 1 80 TYR QB 3.500 . 3.500 2.699 2.512 2.824 . 0 0 "[ . 1 . 2]" 1
773 1 80 TYR HA 1 80 TYR HB2 3.000 . 3.000 3.015 3.009 3.020 0.020 20 0 "[ . 1 . 2]" 1
774 1 80 TYR HA 1 80 TYR QB 2.700 . 2.700 2.323 2.289 2.384 . 0 0 "[ . 1 . 2]" 1
775 1 80 TYR HA 1 80 TYR HB3 3.000 . 3.000 2.416 2.373 2.497 . 0 0 "[ . 1 . 2]" 1
776 1 80 TYR HA 1 81 LEU H 2.400 . 2.400 2.173 2.126 2.333 . 0 0 "[ . 1 . 2]" 1
777 1 80 TYR QB 1 81 LEU H 4.000 . 4.000 3.212 2.619 3.502 . 0 0 "[ . 1 . 2]" 1
778 1 81 LEU H 1 81 LEU QD . . 4.900 2.507 2.014 3.364 . 0 0 "[ . 1 . 2]" 1
779 1 81 LEU H 1 81 LEU HG 4.000 . 4.000 3.894 3.684 4.036 0.036 15 0 "[ . 1 . 2]" 1
780 1 81 LEU H 1 82 GLN H 4.200 . 4.200 4.224 4.099 4.271 0.071 12 0 "[ . 1 . 2]" 1
781 1 81 LEU QD 1 82 GLN H 7.600 . 7.600 4.049 3.938 4.128 . 0 0 "[ . 1 . 2]" 1
782 1 81 LEU QD 1 83 MET QB 6.200 . 6.200 3.827 3.628 4.009 . 0 0 "[ . 1 . 2]" 1
783 1 81 LEU QD 1 83 MET HG2 7.000 . 7.000 2.577 2.292 2.758 . 0 0 "[ . 1 . 2]" 1
784 1 81 LEU QD 1 83 MET QG 5.300 . 5.300 2.291 2.082 2.468 . 0 0 "[ . 1 . 2]" 1
785 1 81 LEU QD 1 83 MET HG3 7.000 . 7.000 2.575 2.253 2.793 . 0 0 "[ . 1 . 2]" 1
786 1 81 LEU HG 1 82 GLN H 4.100 . 4.100 3.708 3.511 3.877 . 0 0 "[ . 1 . 2]" 1
787 1 81 LEU HG 1 83 MET QB 5.300 . 5.300 4.290 4.211 4.409 . 0 0 "[ . 1 . 2]" 1
788 1 81 LEU HG 1 83 MET HG2 3.200 . 3.200 3.111 2.607 3.216 0.016 2 0 "[ . 1 . 2]" 1
789 1 81 LEU HG 1 83 MET QG 2.900 . 2.900 2.088 1.966 2.439 . 0 0 "[ . 1 . 2]" 1
790 1 81 LEU HG 1 83 MET HG3 3.200 . 3.200 2.134 1.984 2.673 . 0 0 "[ . 1 . 2]" 1
791 1 82 GLN H 1 82 GLN HA 2.900 . 2.900 2.911 2.888 2.919 0.019 2 0 "[ . 1 . 2]" 1
792 1 82 GLN H 1 82 GLN HB2 2.800 . 2.800 2.383 2.328 2.577 . 0 0 "[ . 1 . 2]" 1
793 1 82 GLN H 1 82 GLN QB 2.500 . 2.500 2.261 2.239 2.283 . 0 0 "[ . 1 . 2]" 1
794 1 82 GLN H 1 82 GLN HB3 2.800 . 2.800 2.828 2.520 2.928 0.128 2 0 "[ . 1 . 2]" 1
795 1 82 GLN HA 1 82 GLN HB2 2.900 . 2.900 2.658 2.505 2.718 . 0 0 "[ . 1 . 2]" 1
796 1 82 GLN HA 1 82 GLN HB3 2.900 . 2.900 2.957 2.931 2.981 0.081 16 0 "[ . 1 . 2]" 1
797 1 82 GLN HA 1 83 MET H 2.400 . 2.400 2.209 2.168 2.236 . 0 0 "[ . 1 . 2]" 1
798 1 82 GLN QB 1 82 GLN QE 3.500 . 3.500 2.540 1.873 2.893 . 0 0 "[ . 1 . 2]" 1
799 1 82 GLN QB 1 84 ASN QD 5.400 . 5.400 2.914 2.066 3.418 . 0 0 "[ . 1 . 2]" 1
800 1 82 GLN HB2 1 82 GLN HE21 4.500 . 4.500 3.515 2.583 3.991 . 0 0 "[ . 1 . 2]" 1
801 1 82 GLN HB2 1 82 GLN HE22 4.500 . 4.500 4.345 4.169 4.530 0.030 13 0 "[ . 1 . 2]" 1
802 1 82 GLN HB2 1 84 ASN HD21 6.700 . 6.700 5.838 4.735 6.709 0.009 12 0 "[ . 1 . 2]" 1
803 1 82 GLN HB2 1 84 ASN HD22 6.700 . 6.700 4.590 3.726 5.163 . 0 0 "[ . 1 . 2]" 1
804 1 82 GLN HB3 1 82 GLN HE21 4.500 . 4.500 2.732 1.920 3.745 . 0 0 "[ . 1 . 2]" 1
805 1 82 GLN HB3 1 82 GLN HE22 4.500 . 4.500 3.768 3.212 4.632 0.132 16 0 "[ . 1 . 2]" 1
806 1 82 GLN HB3 1 84 ASN HD21 6.700 . 6.700 4.334 3.211 5.032 . 0 0 "[ . 1 . 2]" 1
807 1 82 GLN HB3 1 84 ASN HD22 6.700 . 6.700 3.013 2.101 3.550 . 0 0 "[ . 1 . 2]" 1
808 1 82 GLN QG 1 84 ASN QD 6.900 . 6.900 3.471 2.102 5.025 . 0 0 "[ . 1 . 2]" 1
809 1 83 MET H 1 83 MET QB 3.300 . 3.300 2.590 2.540 2.631 . 0 0 "[ . 1 . 2]" 1
810 1 83 MET H 1 83 MET HG2 3.600 . 3.600 3.567 3.203 3.661 0.061 5 0 "[ . 1 . 2]" 1
811 1 83 MET H 1 83 MET QG 3.300 . 3.300 2.083 1.987 2.261 . 0 0 "[ . 1 . 2]" 1
812 1 83 MET H 1 83 MET HG3 3.600 . 3.600 2.097 2.001 2.285 . 0 0 "[ . 1 . 2]" 1
813 1 83 MET HA 1 83 MET HG2 3.200 . 3.200 3.019 2.660 3.211 0.011 19 0 "[ . 1 . 2]" 1
814 1 83 MET HA 1 83 MET QG 2.900 . 2.900 2.596 2.537 2.631 . 0 0 "[ . 1 . 2]" 1
815 1 83 MET HA 1 83 MET HG3 3.200 . 3.200 2.881 2.743 3.226 0.026 3 0 "[ . 1 . 2]" 1
816 1 83 MET HA 1 84 ASN H 2.400 . 2.400 2.260 2.216 2.284 . 0 0 "[ . 1 . 2]" 1
817 1 83 MET QB 1 83 MET QG 2.500 . 2.500 2.041 2.023 2.073 . 0 0 "[ . 1 . 2]" 1
818 1 83 MET QB 1 84 ASN H 4.200 . 4.200 3.732 3.678 3.760 . 0 0 "[ . 1 . 2]" 1
819 1 83 MET QB 1 86 LEU HG 4.200 . 4.200 3.643 3.353 3.754 . 0 0 "[ . 1 . 2]" 1
820 1 83 MET QB 1 94 TYR HH 4.700 . 4.700 4.138 3.772 4.195 . 0 0 "[ . 1 . 2]" 1
821 1 83 MET QG 1 84 ASN H 5.900 . 5.900 4.511 4.470 4.540 . 0 0 "[ . 1 . 2]" 1
822 1 84 ASN H 1 84 ASN HB2 3.400 . 3.400 3.085 3.043 3.144 . 0 0 "[ . 1 . 2]" 1
823 1 84 ASN H 1 84 ASN HB3 3.400 . 3.400 3.523 3.488 3.542 0.142 2 0 "[ . 1 . 2]" 1
824 1 84 ASN H 1 84 ASN OD1 2.500 . 2.500 2.138 1.785 2.506 0.015 13 0 "[ . 1 . 2]" 1
825 1 84 ASN H 1 85 SER H 5.000 . 5.000 4.512 4.495 4.545 . 0 0 "[ . 1 . 2]" 1
826 1 84 ASN HA 1 84 ASN QB 2.700 . 2.700 2.168 2.164 2.175 . 0 0 "[ . 1 . 2]" 1
827 1 84 ASN HA 1 85 SER H 2.600 . 2.600 2.536 2.499 2.573 . 0 0 "[ . 1 . 2]" 1
828 1 84 ASN HA 1 86 LEU QD 7.400 . 7.400 3.655 3.341 3.851 . 0 0 "[ . 1 . 2]" 1
829 1 84 ASN QB 1 84 ASN QD 3.000 . 3.000 2.104 2.064 2.236 . 0 0 "[ . 1 . 2]" 1
830 1 84 ASN HB2 1 85 SER H 2.600 . 2.600 2.615 2.601 2.628 0.028 19 0 "[ . 1 . 2]" 1
831 1 84 ASN HB3 1 85 SER H 2.600 . 2.600 2.618 2.586 2.632 0.032 13 0 "[ . 1 . 2]" 1
832 1 85 SER H 1 85 SER QB 3.000 . 3.000 2.693 2.674 2.712 . 0 0 "[ . 1 . 2]" 1
833 1 85 SER H 1 86 LEU H 3.300 . 3.300 3.092 2.985 3.303 0.003 13 0 "[ . 1 . 2]" 1
834 1 85 SER QB 1 86 LEU H 4.400 . 4.400 3.918 3.876 3.991 . 0 0 "[ . 1 . 2]" 1
835 1 86 LEU H 1 86 LEU HB2 3.500 . 3.500 2.056 2.045 2.074 . 0 0 "[ . 1 . 2]" 1
836 1 86 LEU H 1 86 LEU QB 3.000 . 3.000 2.035 2.023 2.053 . 0 0 "[ . 1 . 2]" 1
837 1 86 LEU H 1 86 LEU HB3 3.500 . 3.500 3.239 3.178 3.329 . 0 0 "[ . 1 . 2]" 1
838 1 86 LEU H 1 86 LEU HG 4.900 . 4.900 4.170 4.082 4.276 . 0 0 "[ . 1 . 2]" 1
839 1 86 LEU H 1 87 LYS H 4.600 . 4.600 4.624 4.601 4.637 0.037 10 0 "[ . 1 . 2]" 1
840 1 86 LEU HA 1 86 LEU HG 3.700 . 3.700 2.223 2.139 2.421 . 0 0 "[ . 1 . 2]" 1
841 1 86 LEU HA 1 87 LYS H 2.400 . 2.400 2.370 2.321 2.412 0.012 11 0 "[ . 1 . 2]" 1
842 1 86 LEU HA 1 115 VAL QG 6.800 . 6.800 4.145 3.697 4.673 . 0 0 "[ . 1 . 2]" 1
843 1 86 LEU QB 1 87 LYS H 4.200 . 4.200 2.829 2.645 2.973 . 0 0 "[ . 1 . 2]" 1
844 1 86 LEU QB 1 115 VAL QG 4.700 . 4.700 2.249 1.845 2.703 . 0 0 "[ . 1 . 2]" 1
845 1 86 LEU HB2 1 115 VAL QG 6.000 . 6.000 3.556 3.116 3.935 . 0 0 "[ . 1 . 2]" 1
846 1 86 LEU HB3 1 115 VAL QG 6.000 . 6.000 2.275 1.857 2.753 . 0 0 "[ . 1 . 2]" 1
847 1 86 LEU HG 1 87 LYS H 2.600 . 2.600 2.597 2.472 2.629 0.029 17 0 "[ . 1 . 2]" 1
848 1 86 LEU HG 1 90 ASP HB2 4.000 . 4.000 3.026 2.664 3.375 . 0 0 "[ . 1 . 2]" 1
849 1 86 LEU HG 1 90 ASP QB 3.600 . 3.600 2.831 2.563 3.186 . 0 0 "[ . 1 . 2]" 1
850 1 86 LEU HG 1 90 ASP HB3 4.000 . 4.000 3.415 3.190 3.912 . 0 0 "[ . 1 . 2]" 1
851 1 86 LEU HG 1 94 TYR HH 4.600 . 4.600 4.263 3.929 4.605 0.005 14 0 "[ . 1 . 2]" 1
852 1 86 LEU HG 1 115 VAL QG 5.000 . 5.000 3.223 2.853 3.713 . 0 0 "[ . 1 . 2]" 1
853 1 87 LYS H 1 87 LYS QB 3.700 . 3.700 2.613 2.316 3.194 . 0 0 "[ . 1 . 2]" 1
854 1 87 LYS H 1 87 LYS QD 4.600 . 4.600 3.517 2.126 4.110 . 0 0 "[ . 1 . 2]" 1
855 1 87 LYS H 1 87 LYS QG 4.400 . 4.400 3.310 1.886 3.946 . 0 0 "[ . 1 . 2]" 1
856 1 87 LYS H 1 89 GLU H 5.500 . 5.500 4.135 3.976 4.322 . 0 0 "[ . 1 . 2]" 1
857 1 87 LYS H 1 90 ASP H 3.900 . 3.900 3.774 3.464 3.921 0.021 20 0 "[ . 1 . 2]" 1
858 1 87 LYS H 1 90 ASP HB2 4.200 . 4.200 2.998 2.737 4.116 . 0 0 "[ . 1 . 2]" 1
859 1 87 LYS H 1 90 ASP QB 3.700 . 3.700 2.892 2.703 3.435 . 0 0 "[ . 1 . 2]" 1
860 1 87 LYS H 1 90 ASP HB3 4.200 . 4.200 4.144 3.680 4.218 0.018 5 0 "[ . 1 . 2]" 1
861 1 87 LYS H 1 90 ASP OD1 2.500 . 2.500 3.762 1.638 4.614 2.114 18 14 "[ *** ***** * ** +*-]" 1
862 1 87 LYS H 1 115 VAL QG 6.100 . 6.100 3.085 2.602 3.767 . 0 0 "[ . 1 . 2]" 1
863 1 87 LYS HA 1 87 LYS QD 4.300 . 4.300 2.944 1.908 3.833 . 0 0 "[ . 1 . 2]" 1
864 1 87 LYS HA 1 88 PRO HA 4.500 . 4.500 4.409 4.395 4.422 . 0 0 "[ . 1 . 2]" 1
865 1 87 LYS HA 1 88 PRO QD 3.700 . 3.700 2.256 2.184 2.353 . 0 0 "[ . 1 . 2]" 1
866 1 87 LYS O 1 90 ASP H 2.500 . 2.500 2.385 2.156 2.561 0.061 14 0 "[ . 1 . 2]" 1
867 1 88 PRO HA 1 89 GLU H 3.200 . 3.200 3.247 3.209 3.289 0.089 1 0 "[ . 1 . 2]" 1
868 1 88 PRO QB 1 89 GLU H 4.500 . 4.500 3.794 3.712 3.861 . 0 0 "[ . 1 . 2]" 1
869 1 88 PRO QG 1 89 GLU H 4.900 . 4.900 3.404 3.275 3.543 . 0 0 "[ . 1 . 2]" 1
870 1 88 PRO QG 1 115 VAL QG 7.400 . 7.400 4.603 4.291 4.895 . 0 0 "[ . 1 . 2]" 1
871 1 88 PRO HG2 1 115 VAL QG 9.100 . 9.100 5.240 4.918 5.572 . 0 0 "[ . 1 . 2]" 1
872 1 88 PRO HG3 1 115 VAL QG 9.100 . 9.100 5.102 4.707 5.521 . 0 0 "[ . 1 . 2]" 1
873 1 89 GLU H 1 89 GLU QB 3.700 . 3.700 2.408 2.287 2.697 . 0 0 "[ . 1 . 2]" 1
874 1 89 GLU H 1 89 GLU QG 4.300 . 4.300 3.450 2.720 3.914 . 0 0 "[ . 1 . 2]" 1
875 1 89 GLU H 1 90 ASP H 2.600 . 2.600 2.099 1.981 2.237 . 0 0 "[ . 1 . 2]" 1
876 1 89 GLU H 1 115 VAL QG 7.600 . 7.600 3.897 3.642 4.301 . 0 0 "[ . 1 . 2]" 1
877 1 89 GLU HA 1 89 GLU QG 3.300 . 3.300 2.532 2.100 2.980 . 0 0 "[ . 1 . 2]" 1
878 1 89 GLU HA 1 90 ASP H 3.500 . 3.500 3.289 3.148 3.434 . 0 0 "[ . 1 . 2]" 1
879 1 90 ASP H 1 90 ASP HB2 3.500 . 3.500 2.413 2.218 3.503 0.003 14 0 "[ . 1 . 2]" 1
880 1 90 ASP H 1 90 ASP QB 3.200 . 3.200 2.346 2.195 2.942 . 0 0 "[ . 1 . 2]" 1
881 1 90 ASP H 1 90 ASP HB3 3.500 . 3.500 3.512 3.121 3.593 0.093 2 0 "[ . 1 . 2]" 1
882 1 90 ASP H 1 91 THR H 2.400 . 2.400 2.392 2.230 2.459 0.059 18 0 "[ . 1 . 2]" 1
883 1 90 ASP H 1 91 THR HG1 5.400 . 5.400 3.760 3.450 4.162 . 0 0 "[ . 1 . 2]" 1
884 1 90 ASP H 1 115 VAL QG 5.400 . 5.400 2.992 2.417 3.587 . 0 0 "[ . 1 . 2]" 1
885 1 90 ASP QB 1 91 THR H 4.300 . 4.300 3.214 3.001 3.662 . 0 0 "[ . 1 . 2]" 1
886 1 90 ASP QB 1 94 TYR HH 3.600 . 3.600 2.420 2.271 2.898 . 0 0 "[ . 1 . 2]" 1
887 1 90 ASP QB 1 115 VAL QG 5.400 . 5.400 2.325 1.925 3.435 . 0 0 "[ . 1 . 2]" 1
888 1 90 ASP HB2 1 94 TYR HH 4.000 . 4.000 3.914 2.837 4.018 0.018 20 0 "[ . 1 . 2]" 1
889 1 90 ASP HB2 1 115 VAL QG 7.500 . 7.500 2.386 1.965 3.614 . 0 0 "[ . 1 . 2]" 1
890 1 90 ASP HB3 1 94 TYR HH 4.000 . 4.000 2.488 2.285 3.617 . 0 0 "[ . 1 . 2]" 1
891 1 90 ASP HB3 1 115 VAL QG 7.500 . 7.500 3.301 2.721 4.295 . 0 0 "[ . 1 . 2]" 1
892 1 91 THR H 1 91 THR HB 2.400 . 2.400 2.465 2.449 2.475 0.075 20 0 "[ . 1 . 2]" 1
893 1 91 THR H 1 91 THR HG1 2.400 . 2.400 2.093 1.931 2.417 0.017 14 0 "[ . 1 . 2]" 1
894 1 91 THR H 1 91 THR OG1 2.500 . 2.500 2.576 2.559 2.600 0.100 11 0 "[ . 1 . 2]" 1
895 1 91 THR H 1 92 ALA H 5.000 . 5.000 4.365 4.306 4.476 . 0 0 "[ . 1 . 2]" 1
896 1 91 THR HA 1 91 THR HG1 3.400 . 3.400 2.322 2.243 2.420 . 0 0 "[ . 1 . 2]" 1
897 1 91 THR HA 1 92 ALA H 2.400 . 2.400 2.173 2.149 2.200 . 0 0 "[ . 1 . 2]" 1
898 1 91 THR HA 1 113 VAL QG 5.200 . 5.200 2.982 2.485 3.448 . 0 0 "[ . 1 . 2]" 1
899 1 91 THR HB 1 91 THR HG1 2.400 . 2.400 2.263 2.082 2.417 0.017 6 0 "[ . 1 . 2]" 1
900 1 91 THR HG1 1 91 THR MG 3.400 . 3.400 2.941 2.804 3.014 . 0 0 "[ . 1 . 2]" 1
901 1 91 THR HG1 1 92 ALA H 4.200 . 4.200 3.089 2.784 3.299 . 0 0 "[ . 1 . 2]" 1
902 1 91 THR HG1 1 92 ALA HA 5.600 . 5.600 3.510 3.398 3.569 . 0 0 "[ . 1 . 2]" 1
903 1 91 THR HG1 1 114 THR HA 3.400 . 3.400 2.231 1.936 2.592 . 0 0 "[ . 1 . 2]" 1
904 1 91 THR HG1 1 115 VAL H 3.400 . 3.400 2.305 1.911 2.498 . 0 0 "[ . 1 . 2]" 1
905 1 91 THR HG1 1 115 VAL H 2.600 . 2.600 2.615 2.603 2.639 0.039 11 0 "[ . 1 . 2]" 1
906 1 91 THR HG1 1 115 VAL HB 2.500 . 2.500 2.390 2.002 2.516 0.016 4 0 "[ . 1 . 2]" 1
907 1 91 THR HG1 1 115 VAL QG . . 4.200 2.140 1.908 2.920 . 0 0 "[ . 1 . 2]" 1
908 1 91 THR OG1 1 115 VAL H 2.500 . 2.500 2.140 1.864 2.395 . 0 0 "[ . 1 . 2]" 1
909 1 92 ALA H 1 92 ALA MB 3.400 . 3.400 2.824 2.812 2.847 . 0 0 "[ . 1 . 2]" 1
910 1 92 ALA H 1 94 TYR CZ 5.700 . 5.700 5.563 5.207 5.711 0.011 17 0 "[ . 1 . 2]" 1
911 1 92 ALA H 1 112 GLN HE21 4.100 . 4.100 3.634 3.411 3.714 . 0 0 "[ . 1 . 2]" 1
912 1 92 ALA H 1 112 GLN QE 3.700 . 3.700 3.261 2.975 3.308 . 0 0 "[ . 1 . 2]" 1
913 1 92 ALA H 1 112 GLN HE22 4.100 . 4.100 3.696 3.276 4.015 . 0 0 "[ . 1 . 2]" 1
914 1 92 ALA H 1 113 VAL H 2.800 . 2.800 2.777 2.591 2.847 0.047 18 0 "[ . 1 . 2]" 1
915 1 92 ALA H 1 113 VAL HB 3.100 . 3.100 2.697 2.224 3.064 . 0 0 "[ . 1 . 2]" 1
916 1 92 ALA H 1 113 VAL O 2.500 . 2.500 2.534 2.514 2.546 0.046 20 0 "[ . 1 . 2]" 1
917 1 92 ALA HA 1 93 VAL H 2.700 . 2.700 2.602 2.437 2.705 0.005 14 0 "[ . 1 . 2]" 1
918 1 92 ALA MB 1 93 VAL H 3.900 . 3.900 2.099 1.940 2.338 . 0 0 "[ . 1 . 2]" 1
919 1 92 ALA O 1 113 VAL H 2.500 . 2.500 1.843 1.785 2.016 0.015 15 0 "[ . 1 . 2]" 1
920 1 93 VAL H 1 93 VAL HB 2.400 . 2.400 2.462 2.439 2.492 0.092 1 0 "[ . 1 . 2]" 1
921 1 93 VAL H 1 93 VAL QG . . 3.500 2.328 2.159 2.516 . 0 0 "[ . 1 . 2]" 1
922 1 93 VAL HA 1 94 TYR H 2.400 . 2.400 2.182 2.163 2.205 . 0 0 "[ . 1 . 2]" 1
923 1 93 VAL QG 1 94 TYR H . . 4.100 2.987 2.866 3.043 . 0 0 "[ . 1 . 2]" 1
924 1 93 VAL QG 1 110 GLY HA2 6.900 . 6.900 3.553 3.309 3.734 . 0 0 "[ . 1 . 2]" 1
925 1 93 VAL QG 1 110 GLY QA 5.100 . 5.100 2.867 2.662 3.055 . 0 0 "[ . 1 . 2]" 1
926 1 93 VAL QG 1 110 GLY HA3 6.900 . 6.900 3.028 2.805 3.256 . 0 0 "[ . 1 . 2]" 1
927 1 93 VAL QG 1 111 THR H 5.000 . 5.000 2.821 2.524 3.050 . 0 0 "[ . 1 . 2]" 1
928 1 94 TYR CG 1 94 TYR H 3.400 . 3.400 3.396 3.292 3.435 0.035 1 0 "[ . 1 . 2]" 1
929 1 94 TYR CZ 1 113 VAL QG 7.400 . 7.400 3.446 3.009 3.842 . 0 0 "[ . 1 . 2]" 1
930 1 94 TYR H 1 94 TYR HB2 3.300 . 3.300 2.139 2.109 2.168 . 0 0 "[ . 1 . 2]" 1
931 1 94 TYR H 1 94 TYR QB 2.800 . 2.800 2.119 2.089 2.147 . 0 0 "[ . 1 . 2]" 1
932 1 94 TYR H 1 94 TYR HB3 3.300 . 3.300 3.429 3.399 3.458 0.158 15 0 "[ . 1 . 2]" 1
933 1 94 TYR H 1 111 THR H 3.200 . 3.200 3.224 3.203 3.250 0.050 15 0 "[ . 1 . 2]" 1
934 1 94 TYR H 1 111 THR HG1 4.600 . 4.600 3.206 3.047 3.327 . 0 0 "[ . 1 . 2]" 1
935 1 94 TYR H 1 111 THR O 2.000 . 2.000 1.925 1.791 2.016 0.016 4 0 "[ . 1 . 2]" 1
936 1 94 TYR H 1 113 VAL QG 7.400 . 7.400 3.282 2.860 3.611 . 0 0 "[ . 1 . 2]" 1
937 1 94 TYR HA 1 94 TYR QB 2.800 . 2.800 2.487 2.465 2.502 . 0 0 "[ . 1 . 2]" 1
938 1 94 TYR HA 1 95 THR H 2.400 . 2.400 2.180 2.157 2.214 . 0 0 "[ . 1 . 2]" 1
939 1 94 TYR QB 1 95 THR H 4.200 . 4.200 3.661 3.583 3.739 . 0 0 "[ . 1 . 2]" 1
940 1 94 TYR QB 1 111 THR H 5.700 . 5.700 3.523 3.397 3.656 . 0 0 "[ . 1 . 2]" 1
941 1 94 TYR QB 1 111 THR HG1 5.200 . 5.200 2.105 1.906 2.281 . 0 0 "[ . 1 . 2]" 1
942 1 94 TYR HH 1 113 VAL HB 5.200 . 5.200 4.731 4.281 5.166 . 0 0 "[ . 1 . 2]" 1
943 1 94 TYR HH 1 113 VAL QG 7.500 . 7.500 3.599 3.165 3.961 . 0 0 "[ . 1 . 2]" 1
944 1 94 TYR N 1 111 THR O 3.000 . 3.000 2.764 2.612 2.870 . 0 0 "[ . 1 . 2]" 1
945 1 95 THR H 1 95 THR HB 2.700 . 2.700 2.660 2.506 2.745 0.045 20 0 "[ . 1 . 2]" 1
946 1 95 THR H 1 95 THR HG1 4.300 . 4.300 2.942 2.159 3.402 . 0 0 "[ . 1 . 2]" 1
947 1 95 THR HA 1 95 THR HG1 3.400 . 3.400 2.167 2.122 2.258 . 0 0 "[ . 1 . 2]" 1
948 1 95 THR HA 1 96 CYS H 2.600 . 2.600 2.184 2.134 2.445 . 0 0 "[ . 1 . 2]" 1
949 1 95 THR HA 1 110 GLY H 3.900 . 3.900 3.675 3.398 3.883 . 0 0 "[ . 1 . 2]" 1
950 1 95 THR HA 1 110 GLY QA 3.800 . 3.800 1.944 1.833 2.061 . 0 0 "[ . 1 . 2]" 1
951 1 95 THR HA 1 111 THR H 4.400 . 4.400 3.202 3.057 3.277 . 0 0 "[ . 1 . 2]" 1
952 1 95 THR HG1 1 96 CYS H 4.200 . 4.200 2.528 1.890 2.904 . 0 0 "[ . 1 . 2]" 1
953 1 95 THR HG1 1 107 TRP QB 4.800 . 4.800 2.647 2.149 3.354 . 0 0 "[ . 1 . 2]" 1
954 1 95 THR HG1 1 107 TRP HE3 3.400 . 3.400 2.551 1.953 2.703 . 0 0 "[ . 1 . 2]" 1
955 1 95 THR HG1 1 108 GLY H 3.800 . 3.800 2.523 2.164 3.026 . 0 0 "[ . 1 . 2]" 1
956 1 95 THR HG1 1 110 GLY H 4.100 . 4.100 3.204 2.607 3.263 . 0 0 "[ . 1 . 2]" 1
957 1 96 CYS O 1 108 GLY H 2.000 . 2.000 2.011 1.958 2.026 0.026 11 0 "[ . 1 . 2]" 1
958 1 96 CYS O 1 108 GLY N 3.000 . 3.000 2.600 2.548 2.748 . 0 0 "[ . 1 . 2]" 1
959 1 97 GLY H 1 98 ALA H 4.400 . 4.400 4.395 4.347 4.426 0.026 20 0 "[ . 1 . 2]" 1
960 1 98 ALA H 1 104 TRP HE3 3.400 . 3.400 3.327 3.071 3.421 0.021 12 0 "[ . 1 . 2]" 1
961 1 98 ALA H 1 104 TRP HZ3 5.000 . 5.000 4.301 3.971 4.535 . 0 0 "[ . 1 . 2]" 1
962 1 98 ALA H 1 106 SER H 3.200 . 3.200 3.150 2.951 3.235 0.035 15 0 "[ . 1 . 2]" 1
963 1 98 ALA H 1 106 SER HB2 3.500 . 3.500 3.026 2.641 3.529 0.029 10 0 "[ . 1 . 2]" 1
964 1 98 ALA H 1 106 SER HB3 3.500 . 3.500 2.201 1.955 2.756 . 0 0 "[ . 1 . 2]" 1
965 1 98 ALA H 1 106 SER O 2.000 . 2.000 1.947 1.799 2.015 0.015 14 0 "[ . 1 . 2]" 1
966 1 98 ALA HA 1 99 GLY H 2.400 . 2.400 2.405 2.256 2.483 0.083 15 0 "[ . 1 . 2]" 1
967 1 98 ALA HA 1 104 TRP HE3 3.400 . 3.400 3.080 2.878 3.207 . 0 0 "[ . 1 . 2]" 1
968 1 98 ALA HA 1 104 TRP HZ3 2.500 . 2.500 2.236 2.136 2.290 . 0 0 "[ . 1 . 2]" 1
969 1 98 ALA MB 1 99 GLY H 3.400 . 3.400 2.475 2.166 2.825 . 0 0 "[ . 1 . 2]" 1
970 1 98 ALA MB 1 104 TRP HZ3 4.700 . 4.700 3.907 3.839 3.927 . 0 0 "[ . 1 . 2]" 1
971 1 98 ALA MB 1 106 SER H 6.000 . 6.000 3.967 3.743 4.267 . 0 0 "[ . 1 . 2]" 1
972 1 98 ALA MB 1 106 SER HB2 3.400 . 3.400 2.464 1.984 2.830 . 0 0 "[ . 1 . 2]" 1
973 1 98 ALA MB 1 106 SER HB3 3.400 . 3.400 2.013 1.906 2.406 . 0 0 "[ . 1 . 2]" 1
974 1 98 ALA N 1 106 SER O 3.000 . 3.000 2.807 2.693 2.883 . 0 0 "[ . 1 . 2]" 1
975 1 98 ALA O 1 106 SER H 2.500 . 2.500 2.464 2.239 2.519 0.019 16 0 "[ . 1 . 2]" 1
976 1 99 GLY H 1 104 TRP HZ3 4.600 . 4.600 3.316 2.661 3.660 . 0 0 "[ . 1 . 2]" 1
977 1 99 GLY H 1 106 SER QB 5.900 . 5.900 4.254 4.011 4.610 . 0 0 "[ . 1 . 2]" 1
978 1 99 GLY QA 1 100 GLU H 2.600 . 2.600 2.259 2.186 2.281 . 0 0 "[ . 1 . 2]" 1
979 1 99 GLY QA 1 105 ASP H 4.600 . 4.600 3.261 2.460 3.630 . 0 0 "[ . 1 . 2]" 1
980 1 100 GLU H 1 100 GLU QB 3.200 . 3.200 2.843 2.648 2.936 . 0 0 "[ . 1 . 2]" 1
981 1 100 GLU H 1 100 GLU QG 4.500 . 4.500 3.843 3.137 4.098 . 0 0 "[ . 1 . 2]" 1
982 1 100 GLU H 1 103 THR H 2.900 . 2.900 2.832 2.730 2.918 0.018 9 0 "[ . 1 . 2]" 1
983 1 100 GLU H 1 103 THR O 2.000 . 2.000 1.929 1.791 2.028 0.028 12 0 "[ . 1 . 2]" 1
984 1 100 GLU HA 1 100 GLU QG 3.800 . 3.800 2.211 2.000 2.527 . 0 0 "[ . 1 . 2]" 1
985 1 100 GLU HA 1 101 GLY H 3.200 . 3.200 2.159 2.144 2.241 . 0 0 "[ . 1 . 2]" 1
986 1 100 GLU QB 1 101 GLY H 4.500 . 4.500 3.520 2.887 3.771 . 0 0 "[ . 1 . 2]" 1
987 1 100 GLU QG 1 101 GLY H 5.000 . 5.000 3.687 2.619 4.293 . 0 0 "[ . 1 . 2]" 1
988 1 100 GLU N 1 103 THR O 3.000 . 3.000 2.748 2.584 2.865 . 0 0 "[ . 1 . 2]" 1
989 1 100 GLU O 1 103 THR H 2.000 . 2.000 2.000 1.947 2.018 0.018 1 0 "[ . 1 . 2]" 1
990 1 100 GLU O 1 103 THR N 3.000 . 3.000 2.948 2.898 2.972 . 0 0 "[ . 1 . 2]" 1
991 1 101 GLY H 1 101 GLY QA 2.400 . 2.400 2.185 2.183 2.187 . 0 0 "[ . 1 . 2]" 1
992 1 101 GLY H 1 102 GLY H 2.700 . 2.700 2.705 2.695 2.717 0.017 5 0 "[ . 1 . 2]" 1
993 1 101 GLY QA 1 103 THR H 4.900 . 4.900 3.622 3.560 3.729 . 0 0 "[ . 1 . 2]" 1
994 1 102 GLY H 1 103 THR H 2.400 . 2.400 2.420 2.409 2.429 0.029 17 0 "[ . 1 . 2]" 1
995 1 103 THR H 1 103 THR HB 2.500 . 2.500 2.614 2.605 2.631 0.131 15 0 "[ . 1 . 2]" 1
996 1 103 THR HA 1 103 THR HG1 3.400 . 3.400 2.169 2.085 2.215 . 0 0 "[ . 1 . 2]" 1
997 1 103 THR HA 1 104 TRP H 2.700 . 2.700 2.580 2.541 2.606 . 0 0 "[ . 1 . 2]" 1
998 1 103 THR HA 1 104 TRP HD1 5.800 . 5.800 2.976 2.846 3.171 . 0 0 "[ . 1 . 2]" 1
999 1 103 THR HB 1 104 TRP H 3.000 . 3.000 3.063 3.045 3.088 0.088 12 0 "[ . 1 . 2]" 1
1000 1 103 THR HG1 1 104 TRP H 3.800 . 3.800 1.797 1.785 1.824 0.015 13 0 "[ . 1 . 2]" 1
1001 1 103 THR HG1 1 105 ASP HB2 5.200 . 5.200 3.277 3.041 4.112 . 0 0 "[ . 1 . 2]" 1
1002 1 103 THR HG1 1 105 ASP QB 5.000 . 5.000 3.143 2.967 3.538 . 0 0 "[ . 1 . 2]" 1
1003 1 103 THR HG1 1 105 ASP HB3 5.200 . 5.200 4.122 3.858 4.143 . 0 0 "[ . 1 . 2]" 1
1004 1 104 TRP H 1 104 TRP HB2 3.900 . 3.900 2.775 2.698 2.881 . 0 0 "[ . 1 . 2]" 1
1005 1 104 TRP H 1 104 TRP QB 3.500 . 3.500 2.715 2.645 2.810 . 0 0 "[ . 1 . 2]" 1
1006 1 104 TRP H 1 104 TRP HB3 3.900 . 3.900 3.853 3.804 3.911 0.011 12 0 "[ . 1 . 2]" 1
1007 1 104 TRP H 1 104 TRP HD1 3.200 . 3.200 3.218 3.196 3.233 0.033 14 0 "[ . 1 . 2]" 1
1008 1 104 TRP HA 1 105 ASP H 2.500 . 2.500 2.217 2.150 2.319 . 0 0 "[ . 1 . 2]" 1
1009 1 104 TRP QB 1 104 TRP HD1 3.500 . 3.500 2.674 2.629 2.737 . 0 0 "[ . 1 . 2]" 1
1010 1 104 TRP QB 1 105 ASP H 5.800 . 5.800 3.687 3.530 3.827 . 0 0 "[ . 1 . 2]" 1
1011 1 104 TRP HB2 1 104 TRP HD1 3.900 . 3.900 2.727 2.679 2.799 . 0 0 "[ . 1 . 2]" 1
1012 1 104 TRP HB3 1 104 TRP HD1 3.900 . 3.900 3.848 3.825 3.875 . 0 0 "[ . 1 . 2]" 1
1013 1 105 ASP H 1 105 ASP HB2 3.600 . 3.600 3.141 2.918 3.601 0.001 15 0 "[ . 1 . 2]" 1
1014 1 105 ASP H 1 105 ASP QB 3.100 . 3.100 2.448 2.269 2.608 . 0 0 "[ . 1 . 2]" 1
1015 1 105 ASP H 1 105 ASP HB3 3.600 . 3.600 2.562 2.343 2.760 . 0 0 "[ . 1 . 2]" 1
1016 1 105 ASP H 1 106 SER H 2.400 . 2.400 2.092 1.928 2.415 0.015 1 0 "[ . 1 . 2]" 1
1017 1 105 ASP HA 1 105 ASP HB2 2.900 . 2.900 2.398 2.234 2.450 . 0 0 "[ . 1 . 2]" 1
1018 1 105 ASP HA 1 105 ASP QB 2.600 . 2.600 2.305 2.160 2.346 . 0 0 "[ . 1 . 2]" 1
1019 1 105 ASP HA 1 105 ASP HB3 2.900 . 2.900 2.993 2.863 3.004 0.104 19 0 "[ . 1 . 2]" 1
1020 1 106 SER H 1 106 SER HB2 3.300 . 3.300 2.394 2.151 3.309 0.009 10 0 "[ . 1 . 2]" 1
1021 1 106 SER H 1 106 SER QB 3.100 . 3.100 2.242 2.125 2.471 . 0 0 "[ . 1 . 2]" 1
1022 1 106 SER H 1 106 SER HB3 3.300 . 3.300 3.113 2.177 3.345 0.045 8 0 "[ . 1 . 2]" 1
1023 1 106 SER QB 1 107 TRP H 4.300 . 4.300 3.461 3.179 3.905 . 0 0 "[ . 1 . 2]" 1
1024 1 106 SER HB2 1 107 TRP H 4.500 . 4.500 4.351 3.684 4.526 0.026 8 0 "[ . 1 . 2]" 1
1025 1 106 SER HB3 1 107 TRP H 4.500 . 4.500 3.689 3.271 4.382 . 0 0 "[ . 1 . 2]" 1
1026 1 107 TRP H 1 107 TRP HB2 3.900 . 3.900 2.877 2.647 2.933 . 0 0 "[ . 1 . 2]" 1
1027 1 107 TRP H 1 107 TRP QB 3.200 . 3.200 2.804 2.582 2.856 . 0 0 "[ . 1 . 2]" 1
1028 1 107 TRP H 1 107 TRP HB3 3.900 . 3.900 3.873 3.594 3.925 0.025 10 0 "[ . 1 . 2]" 1
1029 1 107 TRP H 1 107 TRP HD1 4.400 . 4.400 3.067 2.137 3.528 . 0 0 "[ . 1 . 2]" 1
1030 1 107 TRP HA 1 107 TRP HE3 3.300 . 3.300 3.095 2.470 3.312 0.012 11 0 "[ . 1 . 2]" 1
1031 1 107 TRP HA 1 108 GLY H 2.400 . 2.400 2.409 2.386 2.426 0.026 12 0 "[ . 1 . 2]" 1
1032 1 107 TRP QB 1 107 TRP HD1 3.100 . 3.100 2.613 2.512 2.655 . 0 0 "[ . 1 . 2]" 1
1033 1 107 TRP HB2 1 107 TRP HD1 3.800 . 3.800 2.662 2.558 2.707 . 0 0 "[ . 1 . 2]" 1
1034 1 107 TRP HB2 1 108 GLY H 3.400 . 3.400 3.415 3.404 3.431 0.031 14 0 "[ . 1 . 2]" 1
1035 1 107 TRP HB3 1 107 TRP HD1 3.800 . 3.800 3.799 3.669 3.833 0.033 11 0 "[ . 1 . 2]" 1
1036 1 107 TRP HB3 1 108 GLY H 3.400 . 3.400 2.454 2.366 2.549 . 0 0 "[ . 1 . 2]" 1
1037 1 107 TRP HE3 1 108 GLY H 4.200 . 4.200 3.810 3.595 4.037 . 0 0 "[ . 1 . 2]" 1
1038 1 109 GLN H 1 109 GLN HA 2.900 . 2.900 2.902 2.844 2.937 0.037 16 0 "[ . 1 . 2]" 1
1039 1 109 GLN H 1 109 GLN HB2 3.400 . 3.400 2.553 2.152 3.245 . 0 0 "[ . 1 . 2]" 1
1040 1 109 GLN H 1 109 GLN QB 3.000 . 3.000 2.314 2.131 2.649 . 0 0 "[ . 1 . 2]" 1
1041 1 109 GLN H 1 109 GLN HB3 3.400 . 3.400 2.800 2.463 3.439 0.039 20 0 "[ . 1 . 2]" 1
1042 1 109 GLN H 1 109 GLN QG 4.700 . 4.700 3.923 3.125 4.153 . 0 0 "[ . 1 . 2]" 1
1043 1 109 GLN H 1 110 GLY H 2.500 . 2.500 2.355 1.999 2.510 0.010 6 0 "[ . 1 . 2]" 1
1044 1 109 GLN HA 1 109 GLN HB2 3.000 . 3.000 2.605 2.449 2.950 . 0 0 "[ . 1 . 2]" 1
1045 1 109 GLN HA 1 109 GLN QB 2.700 . 2.700 2.425 2.349 2.492 . 0 0 "[ . 1 . 2]" 1
1046 1 109 GLN HA 1 109 GLN HB3 3.000 . 3.000 2.957 2.676 3.021 0.021 6 0 "[ . 1 . 2]" 1
1047 1 109 GLN HA 1 109 GLN QG 3.300 . 3.300 2.401 2.060 2.902 . 0 0 "[ . 1 . 2]" 1
1048 1 109 GLN HA 1 110 GLY H 3.600 . 3.600 3.525 3.457 3.568 . 0 0 "[ . 1 . 2]" 1
1049 1 109 GLN QB 1 110 GLY H 3.300 . 3.300 2.547 1.965 2.907 . 0 0 "[ . 1 . 2]" 1
1050 1 109 GLN HB2 1 110 GLY H 3.800 . 3.800 3.594 2.744 3.816 0.016 14 0 "[ . 1 . 2]" 1
1051 1 109 GLN HB3 1 110 GLY H 3.800 . 3.800 2.674 1.976 3.441 . 0 0 "[ . 1 . 2]" 1
1052 1 109 GLN QG 1 110 GLY H 6.500 . 6.500 3.973 3.184 4.510 . 0 0 "[ . 1 . 2]" 1
1053 1 110 GLY H 1 111 THR H 5.000 . 5.000 4.193 4.163 4.278 . 0 0 "[ . 1 . 2]" 1
1054 1 110 GLY HA2 1 111 THR H 2.900 . 2.900 2.263 2.234 2.308 . 0 0 "[ . 1 . 2]" 1
1055 1 110 GLY HA3 1 111 THR H 2.900 . 2.900 2.904 2.852 2.931 0.031 11 0 "[ . 1 . 2]" 1
1056 1 111 THR H 1 111 THR HB 3.700 . 3.700 3.390 3.220 3.523 . 0 0 "[ . 1 . 2]" 1
1057 1 111 THR H 1 111 THR HG1 3.400 . 3.400 2.395 2.287 2.473 . 0 0 "[ . 1 . 2]" 1
1058 1 111 THR HG1 1 112 GLN H 5.200 . 5.200 3.554 3.095 3.888 . 0 0 "[ . 1 . 2]" 1
1059 1 112 GLN H 1 112 GLN HB2 2.900 . 2.900 2.572 2.075 2.917 0.017 12 0 "[ . 1 . 2]" 1
1060 1 112 GLN H 1 112 GLN HB3 2.900 . 2.900 2.543 2.185 3.040 0.140 14 0 "[ . 1 . 2]" 1
1061 1 112 GLN HA 1 112 GLN HB2 3.000 . 3.000 2.486 2.292 2.773 . 0 0 "[ . 1 . 2]" 1
1062 1 112 GLN HA 1 112 GLN HB3 3.000 . 3.000 2.950 2.901 2.981 . 0 0 "[ . 1 . 2]" 1
1063 1 112 GLN HA 1 113 VAL H 2.700 . 2.700 2.188 2.148 2.227 . 0 0 "[ . 1 . 2]" 1
1064 1 112 GLN QB 1 112 GLN QE 3.400 . 3.400 2.188 1.965 2.460 . 0 0 "[ . 1 . 2]" 1
1065 1 112 GLN QB 1 113 VAL H 3.900 . 3.900 3.452 3.305 3.527 . 0 0 "[ . 1 . 2]" 1
1066 1 112 GLN HB2 1 112 GLN HE21 4.700 . 4.700 2.805 2.266 3.732 . 0 0 "[ . 1 . 2]" 1
1067 1 112 GLN HB2 1 112 GLN HE22 4.700 . 4.700 3.928 3.374 4.813 0.113 1 0 "[ . 1 . 2]" 1
1068 1 112 GLN HB3 1 112 GLN HE21 4.700 . 4.700 2.988 1.995 3.567 . 0 0 "[ . 1 . 2]" 1
1069 1 112 GLN HB3 1 112 GLN HE22 4.700 . 4.700 4.193 3.278 4.782 0.082 10 0 "[ . 1 . 2]" 1
1070 1 112 GLN HE21 1 113 VAL H 3.400 . 3.400 2.144 1.931 2.226 . 0 0 "[ . 1 . 2]" 1
1071 1 112 GLN HE22 1 113 VAL H 3.400 . 3.400 3.430 3.402 3.465 0.065 14 0 "[ . 1 . 2]" 1
1072 1 113 VAL H 1 113 VAL HB 2.400 . 2.400 2.483 2.466 2.505 0.105 11 0 "[ . 1 . 2]" 1
1073 1 113 VAL HA 1 114 THR H 2.900 . 2.900 2.194 2.150 2.325 . 0 0 "[ . 1 . 2]" 1
1074 1 113 VAL QG 1 114 THR H 5.300 . 5.300 2.726 2.242 3.367 . 0 0 "[ . 1 . 2]" 1
1075 1 114 THR H 1 114 THR HA 2.900 . 2.900 2.918 2.852 2.938 0.038 7 0 "[ . 1 . 2]" 1
1076 1 114 THR H 1 114 THR HB 2.500 . 2.500 2.500 2.436 2.537 0.037 19 0 "[ . 1 . 2]" 1
1077 1 114 THR H 1 114 THR HG1 4.400 . 4.400 3.028 2.260 3.493 . 0 0 "[ . 1 . 2]" 1
1078 1 115 VAL H 1 115 VAL QG 4.100 . 4.100 2.350 1.947 2.643 . 0 0 "[ . 1 . 2]" 1
1079 1 115 VAL H 1 116 SER H 4.300 . 4.300 4.351 4.182 4.438 0.138 14 0 "[ . 1 . 2]" 1
1080 1 115 VAL HA 1 115 VAL QG . . 3.100 1.985 1.940 2.047 . 0 0 "[ . 1 . 2]" 1
1081 1 115 VAL HA 1 116 SER H 3.400 . 3.400 2.579 2.317 2.992 . 0 0 "[ . 1 . 2]" 1
1082 1 115 VAL HB 1 116 SER H 3.100 2.100 3.100 2.783 2.081 3.135 0.035 4 0 "[ . 1 . 2]" 1
1083 1 115 VAL QG 1 116 SER H . . 4.800 1.926 1.838 2.315 . 0 0 "[ . 1 . 2]" 1
1084 1 116 SER H 1 116 SER QB 3.700 . 3.700 2.965 2.297 3.333 . 0 0 "[ . 1 . 2]" 1
1085 1 116 SER HA 1 117 SER H 3.500 . 3.500 2.948 2.328 3.555 0.055 2 0 "[ . 1 . 2]" 1
1086 1 116 SER QB 1 117 SER H 3.500 . 3.500 2.432 1.923 3.130 . 0 0 "[ . 1 . 2]" 1
1087 1 116 SER HB2 1 117 SER H 3.800 . 3.800 3.251 1.983 3.815 0.015 13 0 "[ . 1 . 2]" 1
1088 1 116 SER HB3 1 117 SER H 3.800 . 3.800 2.838 1.932 3.777 . 0 0 "[ . 1 . 2]" 1
1089 1 117 SER H 1 117 SER QB 3.400 . 3.400 2.717 2.212 3.035 . 0 0 "[ . 1 . 2]" 1
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