NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396524 |
1sj6   |
6152 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1sj6
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 1171
_Distance_constraint_stats_list.Viol_count 1840
_Distance_constraint_stats_list.Viol_total 970.426
_Distance_constraint_stats_list.Viol_max 0.290
_Distance_constraint_stats_list.Viol_rms 0.0140
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0264
_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 3 GLY 0.014 0.006 18 0 "[ . 1 . 2]"
1 4 LEU 0.178 0.022 19 0 "[ . 1 . 2]"
1 5 ARG 0.246 0.040 17 0 "[ . 1 . 2]"
1 6 VAL 0.037 0.007 14 0 "[ . 1 . 2]"
1 7 TYR 0.587 0.052 15 0 "[ . 1 . 2]"
1 8 SER 0.090 0.014 16 0 "[ . 1 . 2]"
1 9 THR 0.029 0.005 2 0 "[ . 1 . 2]"
1 10 SER 0.091 0.008 19 0 "[ . 1 . 2]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 THR 0.002 0.001 9 0 "[ . 1 . 2]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 SER 0.114 0.042 20 0 "[ . 1 . 2]"
1 15 ARG 7.546 0.290 20 0 "[ . 1 . 2]"
1 16 GLU 7.296 0.290 20 0 "[ . 1 . 2]"
1 17 ILE 0.532 0.042 20 0 "[ . 1 . 2]"
1 18 LYS 0.161 0.067 11 0 "[ . 1 . 2]"
1 19 SER 0.147 0.067 11 0 "[ . 1 . 2]"
1 20 GLN 0.038 0.008 15 0 "[ . 1 . 2]"
1 21 GLN 0.038 0.009 13 0 "[ . 1 . 2]"
1 22 SER 0.014 0.009 13 0 "[ . 1 . 2]"
1 23 GLU 0.002 0.001 18 0 "[ . 1 . 2]"
1 24 VAL 0.045 0.014 18 0 "[ . 1 . 2]"
1 25 THR 0.008 0.004 1 0 "[ . 1 . 2]"
1 26 ARG 0.001 0.001 18 0 "[ . 1 . 2]"
1 27 ILE 0.019 0.004 10 0 "[ . 1 . 2]"
1 28 LEU 0.222 0.024 14 0 "[ . 1 . 2]"
1 29 ASP 0.315 0.023 14 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LYS 0.231 0.014 1 0 "[ . 1 . 2]"
1 32 ARG 0.161 0.019 14 0 "[ . 1 . 2]"
1 33 ILE 2.233 0.067 13 0 "[ . 1 . 2]"
1 34 GLN 1.829 0.067 13 0 "[ . 1 . 2]"
1 35 TYR 0.149 0.021 12 0 "[ . 1 . 2]"
1 36 GLN 0.588 0.072 19 0 "[ . 1 . 2]"
1 37 LEU 4.137 0.127 14 0 "[ . 1 . 2]"
1 38 VAL 1.586 0.098 14 0 "[ . 1 . 2]"
1 39 ASP 2.591 0.127 14 0 "[ . 1 . 2]"
1 40 ILE 0.827 0.029 6 0 "[ . 1 . 2]"
1 41 SER 0.302 0.023 9 0 "[ . 1 . 2]"
1 42 GLN 0.558 0.023 9 0 "[ . 1 . 2]"
1 43 ASP 0.499 0.019 13 0 "[ . 1 . 2]"
1 44 ASN 0.033 0.012 20 0 "[ . 1 . 2]"
1 45 ALA 0.708 0.033 5 0 "[ . 1 . 2]"
1 46 LEU 0.513 0.033 19 0 "[ . 1 . 2]"
1 47 ARG 0.066 0.018 18 0 "[ . 1 . 2]"
1 48 ASP 4.277 0.204 5 0 "[ . 1 . 2]"
1 49 GLU 4.213 0.204 5 0 "[ . 1 . 2]"
1 50 MET 0.669 0.055 20 0 "[ . 1 . 2]"
1 51 ARG 0.180 0.035 20 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.049 0.022 19 0 "[ . 1 . 2]"
1 54 ALA 0.385 0.035 20 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASN 7.146 0.192 4 0 "[ . 1 . 2]"
1 57 PRO 7.902 0.192 4 0 "[ . 1 . 2]"
1 58 LYS 0.977 0.056 3 0 "[ . 1 . 2]"
1 59 ALA 1.007 0.036 15 0 "[ . 1 . 2]"
1 60 THR 0.231 0.017 2 0 "[ . 1 . 2]"
1 61 PRO 0.102 0.015 4 0 "[ . 1 . 2]"
1 62 PRO 0.165 0.021 15 0 "[ . 1 . 2]"
1 63 GLN 0.485 0.024 4 0 "[ . 1 . 2]"
1 64 ILE 0.012 0.007 2 0 "[ . 1 . 2]"
1 65 VAL 1.106 0.036 7 0 "[ . 1 . 2]"
1 66 ASN 0.552 0.036 7 0 "[ . 1 . 2]"
1 67 GLY 0.273 0.030 18 0 "[ . 1 . 2]"
1 68 ASP 0.037 0.024 11 0 "[ . 1 . 2]"
1 69 GLN 1.739 0.065 11 0 "[ . 1 . 2]"
1 70 TYR 0.970 0.056 18 0 "[ . 1 . 2]"
1 71 CYS 0.678 0.063 18 0 "[ . 1 . 2]"
1 72 GLY 0.348 0.039 18 0 "[ . 1 . 2]"
1 73 ASP 0.034 0.010 1 0 "[ . 1 . 2]"
1 74 TYR 0.191 0.021 15 0 "[ . 1 . 2]"
1 75 GLU 2.222 0.062 3 0 "[ . 1 . 2]"
1 76 LEU 1.078 0.104 18 0 "[ . 1 . 2]"
1 77 PHE 0.946 0.033 15 0 "[ . 1 . 2]"
1 78 VAL 0.137 0.017 9 0 "[ . 1 . 2]"
1 79 GLU 0.567 0.036 8 0 "[ . 1 . 2]"
1 80 ALA 0.437 0.017 17 0 "[ . 1 . 2]"
1 81 VAL 0.053 0.010 2 0 "[ . 1 . 2]"
1 82 GLU 1.900 0.099 8 0 "[ . 1 . 2]"
1 83 GLN 2.336 0.079 8 0 "[ . 1 . 2]"
1 84 ASN 2.759 0.079 8 0 "[ . 1 . 2]"
1 85 THR 1.416 0.064 8 0 "[ . 1 . 2]"
1 86 LEU 2.578 0.099 8 0 "[ . 1 . 2]"
1 87 GLN 1.800 0.057 3 0 "[ . 1 . 2]"
1 88 GLU 0.008 0.004 6 0 "[ . 1 . 2]"
1 89 PHE 1.460 0.087 16 0 "[ . 1 . 2]"
1 90 LEU 0.297 0.047 10 0 "[ . 1 . 2]"
1 91 LYS 0.199 0.017 5 0 "[ . 1 . 2]"
1 92 LEU 3.556 0.087 16 0 "[ . 1 . 2]"
1 93 ALA 0.481 0.050 10 0 "[ . 1 . 2]"
1 94 LEU 0.021 0.009 20 0 "[ . 1 . 2]"
1 95 GLU 0.029 0.009 20 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 3 GLY HA3 1 4 LEU H 0.000 . 3.000 2.758 2.561 3.006 0.006 18 0 "[ . 1 . 2]" 1
2 1 3 GLY HA2 1 4 LEU H 0.000 . 3.000 2.397 2.203 2.563 . 0 0 "[ . 1 . 2]" 1
3 1 4 LEU H 1 5 ARG H 0.000 . 4.500 4.186 3.603 4.501 0.001 16 0 "[ . 1 . 2]" 1
4 1 4 LEU H 1 4 LEU HA 0.000 . 3.000 2.910 2.872 2.948 . 0 0 "[ . 1 . 2]" 1
5 1 4 LEU HA 1 5 ARG H 0.000 . 3.000 2.187 2.142 2.307 . 0 0 "[ . 1 . 2]" 1
6 1 4 LEU QD 1 5 ARG H 0.000 . 4.000 3.238 1.936 4.003 0.003 16 0 "[ . 1 . 2]" 1
7 1 4 LEU H 1 4 LEU QD 0.000 . 4.000 3.478 2.385 3.988 . 0 0 "[ . 1 . 2]" 1
8 1 4 LEU H 1 36 GLN H 0.000 . 5.000 3.722 2.487 4.623 . 0 0 "[ . 1 . 2]" 1
9 1 4 LEU QD 1 67 GLY H 0.000 . 5.000 4.476 3.376 5.003 0.003 4 0 "[ . 1 . 2]" 1
10 1 4 LEU QD 1 66 ASN HA 0.000 . 4.000 3.184 2.017 3.964 . 0 0 "[ . 1 . 2]" 1
11 1 4 LEU HA 1 67 GLY H 0.000 . 5.500 3.457 2.161 4.798 . 0 0 "[ . 1 . 2]" 1
12 1 4 LEU QD 1 65 VAL H 0.000 . 5.000 3.683 2.631 4.456 . 0 0 "[ . 1 . 2]" 1
13 1 4 LEU QD 1 35 TYR HB3 0.000 . 5.000 3.423 2.500 4.567 . 0 0 "[ . 1 . 2]" 1
14 1 4 LEU QD 1 35 TYR HB2 0.000 . 5.000 3.354 1.948 4.428 . 0 0 "[ . 1 . 2]" 1
15 1 4 LEU QD 1 66 ASN HB3 0.000 . 5.500 4.793 4.013 5.506 0.006 19 0 "[ . 1 . 2]" 1
16 1 4 LEU QD 1 66 ASN HB2 0.000 . 5.500 4.034 2.785 4.894 . 0 0 "[ . 1 . 2]" 1
17 1 4 LEU H 1 36 GLN QG 0.000 . 5.000 4.884 4.349 5.022 0.022 19 0 "[ . 1 . 2]" 1
18 1 4 LEU H 1 66 ASN QD 0.000 . 6.000 5.436 4.396 6.001 0.001 18 0 "[ . 1 . 2]" 1
19 1 4 LEU QB 1 66 ASN QD 0.000 . 5.500 4.217 2.131 5.301 . 0 0 "[ . 1 . 2]" 1
20 1 4 LEU HG 1 66 ASN HD21 0.000 . 5.000 3.679 2.029 5.003 0.003 17 0 "[ . 1 . 2]" 1
21 1 4 LEU QD 1 66 ASN HD21 0.000 . 4.000 2.757 1.886 3.999 . 0 0 "[ . 1 . 2]" 1
22 1 4 LEU QD 1 66 ASN HD22 0.000 . 4.000 2.737 1.961 3.768 . 0 0 "[ . 1 . 2]" 1
23 1 4 LEU QD 1 66 ASN QD 0.000 . 3.500 2.364 1.791 3.105 . 0 0 "[ . 1 . 2]" 1
24 1 4 LEU QD 1 28 LEU QD 0.000 . 4.500 3.376 2.777 4.262 . 0 0 "[ . 1 . 2]" 1
25 1 4 LEU QD 1 90 LEU QD 0.000 . 4.500 2.400 1.704 3.607 . 0 0 "[ . 1 . 2]" 1
26 1 4 LEU QB 1 35 TYR HB3 0.000 . 5.000 3.316 2.725 5.003 0.003 19 0 "[ . 1 . 2]" 1
27 1 4 LEU QB 1 35 TYR HB2 0.000 . 4.500 2.703 1.940 3.953 . 0 0 "[ . 1 . 2]" 1
28 1 5 ARG HA 1 6 VAL H 0.000 . 3.000 2.195 2.132 2.335 . 0 0 "[ . 1 . 2]" 1
29 1 5 ARG HB3 1 6 VAL H 0.000 . 4.500 4.025 3.329 4.503 0.003 19 0 "[ . 1 . 2]" 1
30 1 5 ARG HB2 1 6 VAL H 0.000 . 4.500 4.049 3.181 4.507 0.007 14 0 "[ . 1 . 2]" 1
31 1 5 ARG H 1 6 VAL H 0.000 . 5.000 4.129 3.785 4.405 . 0 0 "[ . 1 . 2]" 1
32 1 5 ARG H 1 65 VAL H 0.000 . 4.500 3.295 2.769 3.997 . 0 0 "[ . 1 . 2]" 1
33 1 5 ARG H 1 66 ASN H 0.000 . 5.000 4.957 4.775 5.014 0.014 18 0 "[ . 1 . 2]" 1
34 1 5 ARG H 1 5 ARG HB3 0.000 . 4.000 3.458 2.698 3.915 . 0 0 "[ . 1 . 2]" 1
35 1 5 ARG H 1 5 ARG HB2 0.000 . 4.000 3.133 2.675 3.786 . 0 0 "[ . 1 . 2]" 1
36 1 5 ARG HA 1 36 GLN H 0.000 . 4.000 3.438 2.348 3.948 . 0 0 "[ . 1 . 2]" 1
37 1 5 ARG H 1 66 ASN HA 0.000 . 4.000 3.570 3.046 4.005 0.005 20 0 "[ . 1 . 2]" 1
38 1 5 ARG H 1 67 GLY H 0.000 . 4.500 3.349 2.809 4.504 0.004 6 0 "[ . 1 . 2]" 1
39 1 5 ARG QB 1 65 VAL H 0.000 . 5.000 3.956 3.038 5.005 0.005 11 0 "[ . 1 . 2]" 1
40 1 5 ARG HA 1 38 VAL QG 0.000 . 5.500 2.908 2.413 3.266 . 0 0 "[ . 1 . 2]" 1
41 1 5 ARG HD3 1 38 VAL QG 0.000 . 5.000 2.951 1.812 4.106 . 0 0 "[ . 1 . 2]" 1
42 1 5 ARG HD2 1 38 VAL QG 0.000 . 5.000 3.325 2.374 4.079 . 0 0 "[ . 1 . 2]" 1
43 1 5 ARG QD 1 38 VAL QG 0.000 . 4.500 2.632 1.800 3.528 . 0 0 "[ . 1 . 2]" 1
44 1 5 ARG QG 1 65 VAL QG 0.000 . 5.000 2.792 2.191 3.581 . 0 0 "[ . 1 . 2]" 1
45 1 5 ARG QB 1 36 GLN QG 0.000 . 6.000 3.710 2.515 4.978 . 0 0 "[ . 1 . 2]" 1
46 1 5 ARG HB3 1 38 VAL QG 0.000 . 5.000 2.268 1.757 3.606 . 0 0 "[ . 1 . 2]" 1
47 1 5 ARG HB2 1 38 VAL QG 0.000 . 5.000 2.373 1.692 3.669 . 0 0 "[ . 1 . 2]" 1
48 1 5 ARG HG3 1 38 VAL QG 0.000 . 6.000 3.271 1.700 4.068 . 0 0 "[ . 1 . 2]" 1
49 1 5 ARG HG2 1 38 VAL QG 0.000 . 6.000 3.502 2.365 4.026 . 0 0 "[ . 1 . 2]" 1
50 1 5 ARG QG 1 38 VAL QG 0.000 . 5.000 2.896 1.664 3.449 . 0 0 "[ . 1 . 2]" 1
51 1 5 ARG QG 1 67 GLY H 0.000 . 5.000 2.929 1.864 4.022 . 0 0 "[ . 1 . 2]" 1
52 1 5 ARG H 1 65 VAL HB 0.000 . 5.000 3.485 2.991 4.264 . 0 0 "[ . 1 . 2]" 1
53 1 5 ARG H 1 38 VAL MG1 0.000 . 6.000 5.229 4.912 6.040 0.040 17 0 "[ . 1 . 2]" 1
54 1 5 ARG H 1 38 VAL MG2 0.000 . 6.000 4.622 4.185 5.270 . 0 0 "[ . 1 . 2]" 1
55 1 5 ARG H 1 38 VAL QG 0.000 . 5.000 4.321 4.112 4.838 . 0 0 "[ . 1 . 2]" 1
56 1 5 ARG QG 1 65 VAL H 0.000 . 4.500 4.129 3.295 4.512 0.012 4 0 "[ . 1 . 2]" 1
57 1 5 ARG H 1 5 ARG QD 0.000 . 6.000 3.997 3.020 4.896 . 0 0 "[ . 1 . 2]" 1
58 1 5 ARG HA 1 65 VAL QG 0.000 . 6.000 5.004 4.666 5.364 . 0 0 "[ . 1 . 2]" 1
59 1 5 ARG QB 1 65 VAL QG 0.000 . 4.000 3.159 2.408 4.014 0.014 12 0 "[ . 1 . 2]" 1
60 1 5 ARG HA 1 36 GLN HB3 0.000 . 5.000 3.110 1.907 5.004 0.004 16 0 "[ . 1 . 2]" 1
61 1 5 ARG HA 1 36 GLN HB2 0.000 . 5.000 3.561 2.086 4.620 . 0 0 "[ . 1 . 2]" 1
62 1 5 ARG QB 1 36 GLN QB 0.000 . 5.000 3.739 2.437 4.764 . 0 0 "[ . 1 . 2]" 1
63 1 5 ARG HA 1 36 GLN HG3 0.000 . 5.000 3.824 2.579 5.002 0.002 2 0 "[ . 1 . 2]" 1
64 1 5 ARG HA 1 36 GLN HG2 0.000 . 5.000 3.438 1.986 4.787 . 0 0 "[ . 1 . 2]" 1
65 1 5 ARG QB 1 7 TYR QE 0.000 . 4.500 4.021 2.702 4.510 0.010 19 0 "[ . 1 . 2]" 1
66 1 5 ARG QB 1 65 VAL HB 0.000 . 4.000 2.622 1.946 3.920 . 0 0 "[ . 1 . 2]" 1
67 1 6 VAL H 1 6 VAL HB 0.000 . 4.000 2.634 2.573 2.753 . 0 0 "[ . 1 . 2]" 1
68 1 6 VAL HA 1 7 TYR H 0.000 . 3.500 2.150 2.138 2.183 . 0 0 "[ . 1 . 2]" 1
69 1 6 VAL H 1 7 TYR H 0.000 . 5.500 4.409 4.239 4.551 . 0 0 "[ . 1 . 2]" 1
70 1 6 VAL MG1 1 7 TYR H 0.000 . 4.500 2.689 2.301 3.021 . 0 0 "[ . 1 . 2]" 1
71 1 6 VAL MG2 1 7 TYR H 0.000 . 4.500 4.157 4.086 4.214 . 0 0 "[ . 1 . 2]" 1
72 1 6 VAL HB 1 7 TYR H 0.000 . 5.000 4.176 3.968 4.278 . 0 0 "[ . 1 . 2]" 1
73 1 6 VAL MG1 1 65 VAL H 0.000 . 5.000 4.701 4.074 5.005 0.005 15 0 "[ . 1 . 2]" 1
74 1 6 VAL MG2 1 65 VAL H 0.000 . 5.000 3.772 3.230 4.102 . 0 0 "[ . 1 . 2]" 1
75 1 6 VAL H 1 36 GLN H 0.000 . 4.500 3.806 3.270 4.379 . 0 0 "[ . 1 . 2]" 1
76 1 6 VAL H 1 38 VAL H 0.000 . 4.500 3.055 2.525 3.443 . 0 0 "[ . 1 . 2]" 1
77 1 6 VAL HA 1 65 VAL H 0.000 . 4.500 3.256 2.550 3.541 . 0 0 "[ . 1 . 2]" 1
78 1 6 VAL QG 1 37 LEU HA 0.000 . 6.000 3.622 3.346 3.873 . 0 0 "[ . 1 . 2]" 1
79 1 6 VAL HB 1 28 LEU QD 0.000 . 6.000 3.845 3.498 4.155 . 0 0 "[ . 1 . 2]" 1
80 1 6 VAL QG 1 37 LEU HB3 0.000 . 6.000 5.506 5.142 5.909 . 0 0 "[ . 1 . 2]" 1
81 1 6 VAL QG 1 37 LEU HB2 0.000 . 6.000 4.682 4.210 5.127 . 0 0 "[ . 1 . 2]" 1
82 1 6 VAL QG 1 64 ILE MG 0.000 . 5.000 2.535 1.891 3.238 . 0 0 "[ . 1 . 2]" 1
83 1 6 VAL QG 1 8 SER HB3 0.000 . 6.000 4.685 3.338 5.278 . 0 0 "[ . 1 . 2]" 1
84 1 6 VAL QG 1 8 SER HB2 0.000 . 6.000 4.207 3.398 5.161 . 0 0 "[ . 1 . 2]" 1
85 1 6 VAL QG 1 64 ILE HG13 0.000 . 4.500 2.636 1.886 3.641 . 0 0 "[ . 1 . 2]" 1
86 1 6 VAL QG 1 64 ILE HG12 0.000 . 4.500 3.035 2.412 3.992 . 0 0 "[ . 1 . 2]" 1
87 1 6 VAL MG1 1 24 VAL QG 0.000 . 4.000 2.397 1.799 3.084 . 0 0 "[ . 1 . 2]" 1
88 1 6 VAL MG2 1 24 VAL QG 0.000 . 4.000 3.365 2.657 4.005 0.005 19 0 "[ . 1 . 2]" 1
89 1 6 VAL QG 1 28 LEU QD 0.000 . 3.500 2.150 1.828 2.536 . 0 0 "[ . 1 . 2]" 1
90 1 6 VAL QG 1 35 TYR QB 0.000 . 5.000 2.714 2.101 3.607 . 0 0 "[ . 1 . 2]" 1
91 1 6 VAL QG 1 64 ILE HA 0.000 . 5.000 2.800 2.365 3.127 . 0 0 "[ . 1 . 2]" 1
92 1 6 VAL QG 1 64 ILE QG 0.000 . 4.000 2.403 1.835 3.057 . 0 0 "[ . 1 . 2]" 1
93 1 6 VAL H 1 37 LEU QD 0.000 . 5.000 4.625 3.786 5.002 0.002 8 0 "[ . 1 . 2]" 1
94 1 6 VAL H 1 37 LEU HA 0.000 . 4.500 3.043 2.434 3.591 . 0 0 "[ . 1 . 2]" 1
95 1 6 VAL QG 1 38 VAL H 0.000 . 5.000 4.208 4.053 4.349 . 0 0 "[ . 1 . 2]" 1
96 1 6 VAL HB 1 37 LEU HA 0.000 . 5.000 2.859 2.448 3.224 . 0 0 "[ . 1 . 2]" 1
97 1 6 VAL QG 1 37 LEU H 0.000 . 6.000 5.214 4.796 5.603 . 0 0 "[ . 1 . 2]" 1
98 1 6 VAL HA 1 38 VAL QG 0.000 . 5.500 3.442 3.327 3.528 . 0 0 "[ . 1 . 2]" 1
99 1 6 VAL QG 1 25 THR HG1 0.000 . 4.000 3.749 2.916 4.004 0.004 1 0 "[ . 1 . 2]" 1
100 1 6 VAL QG 1 8 SER QB 0.000 . 4.500 3.766 3.268 4.371 . 0 0 "[ . 1 . 2]" 1
101 1 6 VAL QG 1 62 PRO HA 0.000 . 6.000 3.581 3.268 3.960 . 0 0 "[ . 1 . 2]" 1
102 1 6 VAL QG 1 35 TYR QD 0.000 . 4.500 1.943 1.857 2.104 . 0 0 "[ . 1 . 2]" 1
103 1 6 VAL QG 1 35 TYR QE 0.000 . 4.500 2.690 1.950 3.546 . 0 0 "[ . 1 . 2]" 1
104 1 6 VAL HB 1 37 LEU QD 0.000 . 5.000 3.399 1.956 4.323 . 0 0 "[ . 1 . 2]" 1
105 1 6 VAL HB 1 37 LEU QB 0.000 . 5.500 4.243 3.650 4.762 . 0 0 "[ . 1 . 2]" 1
106 1 6 VAL HB 1 37 LEU HG 0.000 . 4.500 3.674 3.162 4.505 0.005 17 0 "[ . 1 . 2]" 1
107 1 6 VAL QG 1 37 LEU MD1 0.000 . 5.000 3.677 2.231 4.942 . 0 0 "[ . 1 . 2]" 1
108 1 6 VAL QG 1 37 LEU MD2 0.000 . 5.000 4.360 3.844 5.002 0.002 17 0 "[ . 1 . 2]" 1
109 1 7 TYR H 1 8 SER H 0.000 . 5.000 4.592 4.569 4.607 . 0 0 "[ . 1 . 2]" 1
110 1 7 TYR H 1 63 GLN H 0.000 . 4.500 2.776 2.433 3.189 . 0 0 "[ . 1 . 2]" 1
111 1 7 TYR H 1 65 VAL H 0.000 . 5.500 4.464 3.859 4.678 . 0 0 "[ . 1 . 2]" 1
112 1 7 TYR QB 1 8 SER H 0.000 . 4.500 2.849 2.688 2.975 . 0 0 "[ . 1 . 2]" 1
113 1 7 TYR HA 1 8 SER H 0.000 . 3.000 2.235 2.208 2.280 . 0 0 "[ . 1 . 2]" 1
114 1 7 TYR H 1 64 ILE HA 0.000 . 4.500 3.340 2.908 3.909 . 0 0 "[ . 1 . 2]" 1
115 1 7 TYR QB 1 40 ILE MD 0.000 . 5.500 4.026 3.825 4.185 . 0 0 "[ . 1 . 2]" 1
116 1 7 TYR HA 1 39 ASP H 0.000 . 4.500 4.525 4.512 4.552 0.052 15 0 "[ . 1 . 2]" 1
117 1 7 TYR H 1 64 ILE QG 0.000 . 5.000 4.423 3.889 5.004 0.004 11 0 "[ . 1 . 2]" 1
118 1 7 TYR H 1 62 PRO HA 0.000 . 5.000 4.474 4.108 5.002 0.002 19 0 "[ . 1 . 2]" 1
119 1 7 TYR H 1 38 VAL QG 0.000 . 6.000 3.021 2.904 3.194 . 0 0 "[ . 1 . 2]" 1
120 1 7 TYR QE 1 50 MET HA 0.000 . 5.000 4.231 4.000 4.439 . 0 0 "[ . 1 . 2]" 1
121 1 7 TYR QE 1 50 MET QB 0.000 . 5.000 2.846 2.460 3.233 . 0 0 "[ . 1 . 2]" 1
122 1 7 TYR QE 1 53 LEU QD 0.000 . 5.000 4.096 2.849 5.008 0.008 4 0 "[ . 1 . 2]" 1
123 1 7 TYR QD 1 50 MET HA 0.000 . 5.500 5.449 5.365 5.509 0.009 9 0 "[ . 1 . 2]" 1
124 1 7 TYR QD 1 38 VAL QG 0.000 . 4.500 2.608 2.382 2.680 . 0 0 "[ . 1 . 2]" 1
125 1 7 TYR QE 1 38 VAL QG 0.000 . 4.500 2.665 2.171 2.826 . 0 0 "[ . 1 . 2]" 1
126 1 7 TYR QD 1 65 VAL QG 0.000 . 4.500 2.267 1.970 2.569 . 0 0 "[ . 1 . 2]" 1
127 1 7 TYR QE 1 65 VAL QG 0.000 . 4.500 1.919 1.823 2.079 . 0 0 "[ . 1 . 2]" 1
128 1 7 TYR QD 1 50 MET QB 0.000 . 4.000 3.688 3.417 3.911 . 0 0 "[ . 1 . 2]" 1
129 1 7 TYR QD 1 50 MET QG 0.000 . 4.000 2.909 2.552 3.494 . 0 0 "[ . 1 . 2]" 1
130 1 7 TYR QE 1 46 LEU HG 0.000 . 5.000 4.854 4.388 5.004 0.004 15 0 "[ . 1 . 2]" 1
131 1 8 SER H 1 9 THR H 0.000 . 5.000 4.377 4.365 4.388 . 0 0 "[ . 1 . 2]" 1
132 1 8 SER H 1 38 VAL H 0.000 . 5.000 4.840 4.433 4.953 . 0 0 "[ . 1 . 2]" 1
133 1 8 SER H 1 40 ILE H 0.000 . 5.000 3.023 2.884 3.208 . 0 0 "[ . 1 . 2]" 1
134 1 8 SER HA 1 9 THR H 0.000 . 3.000 2.548 2.447 2.596 . 0 0 "[ . 1 . 2]" 1
135 1 8 SER HB3 1 9 THR H 0.000 . 4.000 2.855 2.183 3.812 . 0 0 "[ . 1 . 2]" 1
136 1 8 SER HB2 1 9 THR H 0.000 . 4.000 3.314 2.164 3.875 . 0 0 "[ . 1 . 2]" 1
137 1 8 SER H 1 39 ASP HA 0.000 . 5.000 2.075 1.970 2.565 . 0 0 "[ . 1 . 2]" 1
138 1 8 SER HA 1 63 GLN QG 0.000 . 6.000 5.869 5.490 6.014 0.014 16 0 "[ . 1 . 2]" 1
139 1 8 SER HB3 1 37 LEU QD 0.000 . 5.000 2.641 1.853 3.539 . 0 0 "[ . 1 . 2]" 1
140 1 8 SER HB2 1 37 LEU QD 0.000 . 5.000 2.588 1.934 3.946 . 0 0 "[ . 1 . 2]" 1
141 1 8 SER QB 1 37 LEU QD 0.000 . 4.500 2.200 1.805 2.792 . 0 0 "[ . 1 . 2]" 1
142 1 8 SER H 1 40 ILE MG 0.000 . 5.000 3.999 3.902 4.137 . 0 0 "[ . 1 . 2]" 1
143 1 8 SER H 1 40 ILE MD 0.000 . 5.000 4.940 4.626 5.007 0.007 6 0 "[ . 1 . 2]" 1
144 1 8 SER HA 1 61 PRO QB 0.000 . 4.000 2.448 2.030 2.748 . 0 0 "[ . 1 . 2]" 1
145 1 8 SER HA 1 61 PRO QG 0.000 . 6.000 4.388 3.941 4.692 . 0 0 "[ . 1 . 2]" 1
146 1 8 SER HA 1 62 PRO HA 0.000 . 5.000 3.490 2.951 4.235 . 0 0 "[ . 1 . 2]" 1
147 1 8 SER HA 1 9 THR HG1 0.000 . 5.500 3.655 3.406 3.865 . 0 0 "[ . 1 . 2]" 1
148 1 9 THR H 1 9 THR HG1 0.000 . 3.000 2.077 1.962 2.172 . 0 0 "[ . 1 . 2]" 1
149 1 9 THR HA 1 10 SER H 0.000 . 3.000 2.164 2.139 2.209 . 0 0 "[ . 1 . 2]" 1
150 1 9 THR H 1 10 SER H 0.000 . 5.000 4.052 3.871 4.236 . 0 0 "[ . 1 . 2]" 1
151 1 9 THR H 1 21 GLN HE21 0.000 . 4.700 3.709 2.296 4.417 . 0 0 "[ . 1 . 2]" 1
152 1 9 THR H 1 21 GLN HE22 0.000 . 4.700 3.706 2.306 4.261 . 0 0 "[ . 1 . 2]" 1
153 1 9 THR H 1 21 GLN QE 0.000 . 4.000 3.261 2.139 3.768 . 0 0 "[ . 1 . 2]" 1
154 1 9 THR H 1 17 ILE MG 0.000 . 5.000 4.390 3.532 4.914 . 0 0 "[ . 1 . 2]" 1
155 1 9 THR HA 1 40 ILE H 0.000 . 4.500 3.922 3.587 4.186 . 0 0 "[ . 1 . 2]" 1
156 1 9 THR H 1 61 PRO HB3 0.000 . 5.000 3.039 2.573 3.480 . 0 0 "[ . 1 . 2]" 1
157 1 9 THR H 1 61 PRO HB2 0.000 . 5.000 3.312 2.905 3.646 . 0 0 "[ . 1 . 2]" 1
158 1 9 THR H 1 61 PRO QB 0.000 . 4.500 2.794 2.500 3.104 . 0 0 "[ . 1 . 2]" 1
159 1 9 THR HG1 1 17 ILE MG 0.000 . 4.500 2.078 1.806 3.077 . 0 0 "[ . 1 . 2]" 1
160 1 9 THR HG1 1 17 ILE MD 0.000 . 4.500 3.680 2.853 4.422 . 0 0 "[ . 1 . 2]" 1
161 1 9 THR H 1 61 PRO QG 0.000 . 5.000 4.098 3.706 4.493 . 0 0 "[ . 1 . 2]" 1
162 1 9 THR HA 1 41 SER H 0.000 . 4.500 2.956 2.696 3.425 . 0 0 "[ . 1 . 2]" 1
163 1 9 THR HG1 1 61 PRO QB 0.000 . 5.000 2.248 1.936 2.570 . 0 0 "[ . 1 . 2]" 1
164 1 9 THR HG1 1 61 PRO HG3 0.000 . 4.000 2.591 1.856 3.274 . 0 0 "[ . 1 . 2]" 1
165 1 9 THR HG1 1 61 PRO HG2 0.000 . 4.000 2.324 1.843 3.485 . 0 0 "[ . 1 . 2]" 1
166 1 9 THR HG1 1 10 SER HA 0.000 . 4.500 4.234 4.060 4.490 . 0 0 "[ . 1 . 2]" 1
167 1 9 THR HA 1 11 VAL H 0.000 . 5.000 3.841 3.485 4.466 . 0 0 "[ . 1 . 2]" 1
168 1 9 THR HG1 1 11 VAL H 0.000 . 5.500 3.110 2.321 4.188 . 0 0 "[ . 1 . 2]" 1
169 1 9 THR HA 1 40 ILE MD 0.000 . 6.000 4.685 4.469 4.864 . 0 0 "[ . 1 . 2]" 1
170 1 9 THR HG1 1 21 GLN HE21 0.000 . 3.500 2.571 2.076 3.391 . 0 0 "[ . 1 . 2]" 1
171 1 9 THR HG1 1 21 GLN HE22 0.000 . 3.500 2.742 1.873 3.467 . 0 0 "[ . 1 . 2]" 1
172 1 9 THR HB 1 61 PRO QG 0.000 . 5.000 2.509 1.986 3.772 . 0 0 "[ . 1 . 2]" 1
173 1 9 THR HA 1 39 ASP HA 0.000 . 5.500 4.186 4.054 4.443 . 0 0 "[ . 1 . 2]" 1
174 1 9 THR HG1 1 12 THR HB 0.000 . 4.500 3.490 1.910 4.500 0.000 7 0 "[ . 1 . 2]" 1
175 1 9 THR HB 1 40 ILE HG13 0.000 . 4.500 4.088 3.451 4.386 . 0 0 "[ . 1 . 2]" 1
176 1 9 THR HB 1 40 ILE HG12 0.000 . 4.500 4.092 3.487 4.502 0.002 17 0 "[ . 1 . 2]" 1
177 1 9 THR HB 1 40 ILE MD 0.000 . 4.000 3.956 3.559 4.005 0.005 2 0 "[ . 1 . 2]" 1
178 1 9 THR HG1 1 12 THR HG1 0.000 . 5.500 2.230 1.682 3.389 . 0 0 "[ . 1 . 2]" 1
179 1 10 SER H 1 11 VAL H 0.000 . 4.000 2.746 2.550 3.002 . 0 0 "[ . 1 . 2]" 1
180 1 10 SER H 1 40 ILE H 0.000 . 5.000 5.004 4.988 5.008 0.008 19 0 "[ . 1 . 2]" 1
181 1 10 SER QB 1 11 VAL H 0.000 . 5.000 2.721 2.027 3.559 . 0 0 "[ . 1 . 2]" 1
182 1 10 SER H 1 39 ASP HA 0.000 . 5.000 4.715 4.425 5.003 0.003 15 0 "[ . 1 . 2]" 1
183 1 10 SER H 1 41 SER HB3 0.000 . 5.000 2.435 1.972 3.327 . 0 0 "[ . 1 . 2]" 1
184 1 10 SER H 1 41 SER HB2 0.000 . 5.000 2.237 1.976 3.303 . 0 0 "[ . 1 . 2]" 1
185 1 10 SER H 1 41 SER QB 0.000 . 4.000 1.965 1.841 2.606 . 0 0 "[ . 1 . 2]" 1
186 1 10 SER QB 1 11 VAL QG 0.000 . 4.500 3.011 2.224 3.753 . 0 0 "[ . 1 . 2]" 1
187 1 11 VAL H 1 11 VAL HA 0.000 . 3.000 2.898 2.791 2.949 . 0 0 "[ . 1 . 2]" 1
188 1 11 VAL H 1 11 VAL HB 0.000 . 3.000 2.681 2.510 2.971 . 0 0 "[ . 1 . 2]" 1
189 1 11 VAL QG 1 12 THR H 0.000 . 4.000 3.030 2.059 3.475 . 0 0 "[ . 1 . 2]" 1
190 1 11 VAL H 1 11 VAL QG 0.000 . 4.000 2.243 1.943 2.744 . 0 0 "[ . 1 . 2]" 1
191 1 11 VAL HA 1 12 THR H 0.000 . 4.000 2.675 2.142 3.573 . 0 0 "[ . 1 . 2]" 1
192 1 11 VAL QG 1 41 SER QB 0.000 . 5.000 2.829 1.804 3.649 . 0 0 "[ . 1 . 2]" 1
193 1 11 VAL HB 1 41 SER QB 0.000 . 5.000 3.833 2.681 4.929 . 0 0 "[ . 1 . 2]" 1
194 1 11 VAL H 1 41 SER HB3 0.000 . 5.000 2.762 2.022 3.358 . 0 0 "[ . 1 . 2]" 1
195 1 11 VAL H 1 41 SER HB2 0.000 . 5.000 2.870 2.206 3.676 . 0 0 "[ . 1 . 2]" 1
196 1 11 VAL H 1 41 SER QB 0.000 . 4.500 2.466 1.928 2.886 . 0 0 "[ . 1 . 2]" 1
197 1 12 THR H 1 12 THR HG1 0.000 . 4.000 2.679 1.881 3.525 . 0 0 "[ . 1 . 2]" 1
198 1 12 THR HA 1 13 GLY H 0.000 . 3.000 2.363 2.144 2.747 . 0 0 "[ . 1 . 2]" 1
199 1 12 THR HG1 1 17 ILE HB 0.000 . 5.000 2.889 1.821 4.692 . 0 0 "[ . 1 . 2]" 1
200 1 12 THR HG1 1 18 LYS HG3 0.000 . 4.500 2.394 1.829 4.349 . 0 0 "[ . 1 . 2]" 1
201 1 12 THR HG1 1 18 LYS HG2 0.000 . 4.500 2.644 1.914 4.341 . 0 0 "[ . 1 . 2]" 1
202 1 12 THR HG1 1 18 LYS QG 0.000 . 4.000 2.083 1.685 3.476 . 0 0 "[ . 1 . 2]" 1
203 1 12 THR HG1 1 18 LYS QD 0.000 . 4.000 3.011 2.339 4.001 0.001 9 0 "[ . 1 . 2]" 1
204 1 12 THR HG1 1 18 LYS QE 0.000 . 5.000 2.887 2.046 4.068 . 0 0 "[ . 1 . 2]" 1
205 1 13 GLY HA3 1 14 SER H 0.000 . 5.000 3.025 2.694 3.495 . 0 0 "[ . 1 . 2]" 1
206 1 13 GLY HA2 1 14 SER H 0.000 . 5.000 3.385 2.947 3.565 . 0 0 "[ . 1 . 2]" 1
207 1 13 GLY QA 1 14 SER H 0.000 . 4.500 2.767 2.618 2.858 . 0 0 "[ . 1 . 2]" 1
208 1 13 GLY H 1 14 SER H 0.000 . 3.000 2.163 1.991 2.626 . 0 0 "[ . 1 . 2]" 1
209 1 14 SER HA 1 16 GLU H 0.000 . 4.500 4.199 3.825 4.363 . 0 0 "[ . 1 . 2]" 1
210 1 14 SER HA 1 15 ARG H 0.000 . 5.000 2.723 2.309 3.472 . 0 0 "[ . 1 . 2]" 1
211 1 14 SER HA 1 15 ARG QB 0.000 . 5.000 4.234 3.933 4.660 . 0 0 "[ . 1 . 2]" 1
212 1 14 SER HA 1 17 ILE H 0.000 . 5.000 4.875 4.565 5.042 0.042 20 0 "[ . 1 . 2]" 1
213 1 14 SER H 1 17 ILE MD 0.000 . 4.500 3.807 2.673 4.507 0.007 20 0 "[ . 1 . 2]" 1
214 1 14 SER QB 1 17 ILE HG13 0.000 . 5.000 2.415 1.913 3.077 . 0 0 "[ . 1 . 2]" 1
215 1 14 SER QB 1 17 ILE HG12 0.000 . 5.000 2.975 1.826 4.480 . 0 0 "[ . 1 . 2]" 1
216 1 14 SER QB 1 17 ILE QG 0.000 . 4.000 2.109 1.760 2.996 . 0 0 "[ . 1 . 2]" 1
217 1 14 SER QB 1 17 ILE MD 0.000 . 4.000 2.591 1.902 3.532 . 0 0 "[ . 1 . 2]" 1
218 1 15 ARG HA 1 16 GLU H 0.000 . 3.000 3.282 3.273 3.290 0.290 20 0 "[ . 1 . 2]" 1
219 1 15 ARG H 1 16 GLU H 0.000 . 5.000 1.994 1.807 2.669 . 0 0 "[ . 1 . 2]" 1
220 1 15 ARG HA 1 15 ARG QD 0.000 . 4.500 3.839 3.381 4.212 . 0 0 "[ . 1 . 2]" 1
221 1 15 ARG H 1 17 ILE HB 0.000 . 5.000 4.937 4.192 5.031 0.031 10 0 "[ . 1 . 2]" 1
222 1 15 ARG QG 1 18 LYS HD3 0.000 . 5.000 4.143 2.887 5.002 0.002 20 0 "[ . 1 . 2]" 1
223 1 15 ARG QG 1 18 LYS HD2 0.000 . 5.000 4.331 3.204 5.003 0.003 9 0 "[ . 1 . 2]" 1
224 1 15 ARG HA 1 18 LYS HD3 0.000 . 3.700 3.144 2.257 3.693 . 0 0 "[ . 1 . 2]" 1
225 1 15 ARG HA 1 18 LYS HD2 0.000 . 3.700 3.023 1.996 3.700 0.000 4 0 "[ . 1 . 2]" 1
226 1 15 ARG QB 1 16 GLU H 0.000 . 3.000 3.078 3.067 3.092 0.092 10 0 "[ . 1 . 2]" 1
227 1 16 GLU H 1 17 ILE H 0.000 . 4.000 2.107 2.085 2.141 . 0 0 "[ . 1 . 2]" 1
228 1 16 GLU HB3 1 17 ILE H 0.000 . 4.500 3.799 2.819 4.111 . 0 0 "[ . 1 . 2]" 1
229 1 16 GLU HB2 1 17 ILE H 0.000 . 4.500 3.032 2.672 3.962 . 0 0 "[ . 1 . 2]" 1
230 1 16 GLU H 1 16 GLU QG 0.000 . 5.000 2.797 1.984 4.029 . 0 0 "[ . 1 . 2]" 1
231 1 16 GLU HA 1 19 SER H 0.000 . 4.000 3.418 3.122 3.756 . 0 0 "[ . 1 . 2]" 1
232 1 16 GLU HA 1 17 ILE H 0.000 . 4.000 3.493 3.471 3.517 . 0 0 "[ . 1 . 2]" 1
233 1 16 GLU H 1 18 LYS H 0.000 . 5.000 3.751 3.559 4.037 . 0 0 "[ . 1 . 2]" 1
234 1 16 GLU H 1 19 SER H 0.000 . 5.000 4.935 4.726 5.023 0.023 11 0 "[ . 1 . 2]" 1
235 1 16 GLU HA 1 19 SER QB 0.000 . 4.500 3.234 2.624 4.438 . 0 0 "[ . 1 . 2]" 1
236 1 16 GLU HA 1 20 GLN H 0.000 . 5.000 4.647 3.840 4.975 . 0 0 "[ . 1 . 2]" 1
237 1 16 GLU HA 1 20 GLN HE21 0.000 . 5.000 4.271 3.530 4.987 . 0 0 "[ . 1 . 2]" 1
238 1 16 GLU HA 1 20 GLN HE22 0.000 . 5.000 4.243 3.326 5.001 0.001 15 0 "[ . 1 . 2]" 1
239 1 16 GLU HA 1 18 LYS H 0.000 . 6.000 4.044 3.853 4.364 . 0 0 "[ . 1 . 2]" 1
240 1 16 GLU HB3 1 20 GLN HE21 0.000 . 5.000 3.334 2.211 4.462 . 0 0 "[ . 1 . 2]" 1
241 1 16 GLU HB3 1 20 GLN HE22 0.000 . 5.000 3.292 2.003 5.001 0.001 16 0 "[ . 1 . 2]" 1
242 1 16 GLU HB2 1 20 GLN HE21 0.000 . 5.000 3.931 2.548 5.004 0.004 20 0 "[ . 1 . 2]" 1
243 1 16 GLU HB2 1 20 GLN HE22 0.000 . 5.000 4.096 1.995 5.002 0.002 14 0 "[ . 1 . 2]" 1
244 1 16 GLU QB 1 17 ILE HA 0.000 . 5.000 3.959 3.836 4.427 . 0 0 "[ . 1 . 2]" 1
245 1 17 ILE H 1 18 LYS H 0.000 . 4.000 2.631 2.398 2.885 . 0 0 "[ . 1 . 2]" 1
246 1 17 ILE H 1 19 SER H 0.000 . 5.000 4.212 3.993 4.485 . 0 0 "[ . 1 . 2]" 1
247 1 17 ILE H 1 17 ILE HB 0.000 . 3.000 2.579 2.502 2.793 . 0 0 "[ . 1 . 2]" 1
248 1 17 ILE HA 1 18 LYS H 0.000 . 3.500 3.500 3.488 3.538 0.038 11 0 "[ . 1 . 2]" 1
249 1 17 ILE HA 1 19 SER H 0.000 . 5.000 4.217 3.865 4.919 . 0 0 "[ . 1 . 2]" 1
250 1 17 ILE HB 1 18 LYS H 0.000 . 4.500 2.815 2.428 2.894 . 0 0 "[ . 1 . 2]" 1
251 1 17 ILE MG 1 18 LYS H 0.000 . 5.000 3.677 3.284 3.857 . 0 0 "[ . 1 . 2]" 1
252 1 17 ILE MD 1 18 LYS H 0.000 . 5.000 4.679 4.297 4.811 . 0 0 "[ . 1 . 2]" 1
253 1 17 ILE H 1 17 ILE QG 0.000 . 4.500 2.012 1.935 2.221 . 0 0 "[ . 1 . 2]" 1
254 1 17 ILE H 1 17 ILE MD 0.000 . 4.000 3.369 2.430 3.728 . 0 0 "[ . 1 . 2]" 1
255 1 17 ILE HA 1 20 GLN QB 0.000 . 4.500 2.814 2.038 3.603 . 0 0 "[ . 1 . 2]" 1
256 1 17 ILE MG 1 21 GLN HE21 0.000 . 5.000 3.138 2.016 4.642 . 0 0 "[ . 1 . 2]" 1
257 1 17 ILE MG 1 21 GLN HE22 0.000 . 5.000 4.212 2.681 4.999 . 0 0 "[ . 1 . 2]" 1
258 1 17 ILE MG 1 21 GLN QE 0.000 . 4.500 3.020 1.961 3.709 . 0 0 "[ . 1 . 2]" 1
259 1 17 ILE MG 1 61 PRO QB 0.000 . 5.000 3.129 2.282 3.572 . 0 0 "[ . 1 . 2]" 1
260 1 17 ILE MG 1 61 PRO HG3 0.000 . 5.000 3.141 1.952 4.268 . 0 0 "[ . 1 . 2]" 1
261 1 17 ILE MG 1 61 PRO HG2 0.000 . 5.000 2.155 1.844 2.835 . 0 0 "[ . 1 . 2]" 1
262 1 17 ILE MG 1 61 PRO QG 0.000 . 4.000 2.073 1.697 2.796 . 0 0 "[ . 1 . 2]" 1
263 1 17 ILE MG 1 21 GLN H 0.000 . 6.000 3.957 3.184 4.785 . 0 0 "[ . 1 . 2]" 1
264 1 17 ILE MD 1 60 THR HB 0.000 . 4.000 3.800 3.311 4.004 0.004 15 0 "[ . 1 . 2]" 1
265 1 17 ILE MD 1 60 THR HG1 0.000 . 5.000 3.334 2.467 4.198 . 0 0 "[ . 1 . 2]" 1
266 1 17 ILE MD 1 61 PRO HD3 0.000 . 5.000 3.687 2.890 4.606 . 0 0 "[ . 1 . 2]" 1
267 1 17 ILE MD 1 61 PRO HD2 0.000 . 5.000 3.092 2.347 3.617 . 0 0 "[ . 1 . 2]" 1
268 1 17 ILE MD 1 61 PRO QD 0.000 . 4.000 2.922 2.250 3.492 . 0 0 "[ . 1 . 2]" 1
269 1 17 ILE MG 1 20 GLN H 0.000 . 6.000 4.382 3.969 4.996 . 0 0 "[ . 1 . 2]" 1
270 1 17 ILE MG 1 62 PRO QD 0.000 . 5.000 2.893 1.929 3.636 . 0 0 "[ . 1 . 2]" 1
271 1 17 ILE MG 1 21 GLN HG3 0.000 . 5.000 4.537 3.569 5.002 0.002 16 0 "[ . 1 . 2]" 1
272 1 17 ILE MG 1 21 GLN HG2 0.000 . 5.000 3.623 2.586 5.002 0.002 20 0 "[ . 1 . 2]" 1
273 1 17 ILE MG 1 21 GLN QG 0.000 . 4.000 3.351 2.551 3.943 . 0 0 "[ . 1 . 2]" 1
274 1 18 LYS H 1 19 SER H 0.000 . 4.000 2.601 2.423 2.855 . 0 0 "[ . 1 . 2]" 1
275 1 18 LYS H 1 20 GLN H 0.000 . 5.000 3.994 3.712 4.121 . 0 0 "[ . 1 . 2]" 1
276 1 18 LYS H 1 18 LYS HA 0.000 . 3.000 2.827 2.779 2.889 . 0 0 "[ . 1 . 2]" 1
277 1 18 LYS H 1 18 LYS QD 0.000 . 4.500 3.354 3.044 3.639 . 0 0 "[ . 1 . 2]" 1
278 1 18 LYS HA 1 19 SER H 0.000 . 4.000 3.510 3.486 3.560 . 0 0 "[ . 1 . 2]" 1
279 1 18 LYS HA 1 21 GLN H 0.000 . 4.000 3.790 3.115 4.001 0.001 9 0 "[ . 1 . 2]" 1
280 1 18 LYS QB 1 19 SER H 0.000 . 3.000 2.755 2.336 3.067 0.067 11 0 "[ . 1 . 2]" 1
281 1 18 LYS HA 1 21 GLN QB 0.000 . 4.500 4.173 2.362 4.503 0.003 16 0 "[ . 1 . 2]" 1
282 1 18 LYS HA 1 21 GLN QE 0.000 . 4.500 2.707 1.982 3.927 . 0 0 "[ . 1 . 2]" 1
283 1 18 LYS HA 1 21 GLN HG3 0.000 . 5.000 3.250 2.397 5.003 0.003 20 0 "[ . 1 . 2]" 1
284 1 18 LYS HA 1 21 GLN HG2 0.000 . 5.000 3.003 1.994 5.003 0.003 20 0 "[ . 1 . 2]" 1
285 1 18 LYS HB3 1 18 LYS QE 0.000 . 5.000 3.378 2.617 4.163 . 0 0 "[ . 1 . 2]" 1
286 1 18 LYS HB2 1 18 LYS QE 0.000 . 5.000 3.612 2.334 3.987 . 0 0 "[ . 1 . 2]" 1
287 1 19 SER H 1 20 GLN H 0.000 . 3.000 2.493 2.225 2.854 . 0 0 "[ . 1 . 2]" 1
288 1 19 SER H 1 21 GLN H 0.000 . 5.000 4.399 3.855 5.003 0.003 11 0 "[ . 1 . 2]" 1
289 1 19 SER H 1 19 SER HA 0.000 . 3.000 2.850 2.736 2.915 . 0 0 "[ . 1 . 2]" 1
290 1 19 SER QB 1 20 GLN H 0.000 . 4.000 2.901 2.768 3.521 . 0 0 "[ . 1 . 2]" 1
291 1 19 SER HA 1 20 GLN H 0.000 . 4.000 3.488 3.476 3.510 . 0 0 "[ . 1 . 2]" 1
292 1 19 SER HA 1 22 SER H 0.000 . 4.000 3.506 3.089 4.002 0.002 20 0 "[ . 1 . 2]" 1
293 1 19 SER HA 1 22 SER QB 0.000 . 4.500 2.644 2.190 3.462 . 0 0 "[ . 1 . 2]" 1
294 1 19 SER QB 1 20 GLN QG 0.000 . 5.000 4.230 3.504 4.954 . 0 0 "[ . 1 . 2]" 1
295 1 20 GLN H 1 21 GLN H 0.000 . 4.200 2.714 2.231 2.901 . 0 0 "[ . 1 . 2]" 1
296 1 20 GLN H 1 20 GLN HG3 0.000 . 4.500 3.779 3.445 4.224 . 0 0 "[ . 1 . 2]" 1
297 1 20 GLN H 1 20 GLN HG2 0.000 . 4.500 3.212 1.973 4.441 . 0 0 "[ . 1 . 2]" 1
298 1 20 GLN HA 1 21 GLN H 0.000 . 4.000 3.545 3.475 3.571 . 0 0 "[ . 1 . 2]" 1
299 1 20 GLN HA 1 23 GLU H 0.000 . 4.000 3.725 3.484 4.001 0.001 7 0 "[ . 1 . 2]" 1
300 1 20 GLN HA 1 24 VAL H 0.000 . 5.000 4.333 3.967 4.881 . 0 0 "[ . 1 . 2]" 1
301 1 20 GLN HA 1 20 GLN HE21 0.000 . 5.000 4.299 3.180 4.865 . 0 0 "[ . 1 . 2]" 1
302 1 20 GLN HA 1 20 GLN HE22 0.000 . 5.000 4.513 3.737 5.000 0.000 4 0 "[ . 1 . 2]" 1
303 1 20 GLN H 1 20 GLN HE21 0.000 . 5.000 3.701 2.475 4.712 . 0 0 "[ . 1 . 2]" 1
304 1 20 GLN H 1 20 GLN HE22 0.000 . 5.000 4.244 3.724 4.534 . 0 0 "[ . 1 . 2]" 1
305 1 20 GLN HB3 1 21 GLN H 0.000 . 4.500 3.294 2.642 3.940 . 0 0 "[ . 1 . 2]" 1
306 1 20 GLN HB2 1 21 GLN H 0.000 . 4.500 2.595 1.994 3.286 . 0 0 "[ . 1 . 2]" 1
307 1 20 GLN HA 1 23 GLU QB 0.000 . 4.500 3.108 2.654 3.416 . 0 0 "[ . 1 . 2]" 1
308 1 20 GLN QB 1 24 VAL QG 0.000 . 5.000 3.690 3.313 4.289 . 0 0 "[ . 1 . 2]" 1
309 1 20 GLN QB 1 62 PRO HD3 0.000 . 4.500 3.708 2.860 4.258 . 0 0 "[ . 1 . 2]" 1
310 1 20 GLN QB 1 62 PRO HD2 0.000 . 4.500 4.359 3.754 4.508 0.008 15 0 "[ . 1 . 2]" 1
311 1 20 GLN QB 1 62 PRO QG 0.000 . 5.000 2.151 1.851 2.502 . 0 0 "[ . 1 . 2]" 1
312 1 20 GLN HA 1 23 GLU QG 0.000 . 5.000 4.747 4.240 5.000 0.000 1 0 "[ . 1 . 2]" 1
313 1 20 GLN QB 1 74 TYR QB 0.000 . 4.500 3.320 2.484 4.046 . 0 0 "[ . 1 . 2]" 1
314 1 20 GLN QG 1 74 TYR QD 0.000 . 5.000 3.693 2.778 4.890 . 0 0 "[ . 1 . 2]" 1
315 1 20 GLN QG 1 74 TYR QE 0.000 . 5.000 3.955 2.813 5.002 0.002 13 0 "[ . 1 . 2]" 1
316 1 20 GLN HA 1 74 TYR QE 0.000 . 4.500 2.552 2.077 3.374 . 0 0 "[ . 1 . 2]" 1
317 1 20 GLN HA 1 74 TYR QD 0.000 . 5.000 3.355 2.260 3.966 . 0 0 "[ . 1 . 2]" 1
318 1 21 GLN H 1 22 SER H 0.000 . 3.500 2.561 2.202 2.722 . 0 0 "[ . 1 . 2]" 1
319 1 21 GLN H 1 23 GLU H 0.000 . 5.000 4.164 3.670 4.610 . 0 0 "[ . 1 . 2]" 1
320 1 21 GLN H 1 21 GLN QG 0.000 . 4.500 2.163 1.952 3.944 . 0 0 "[ . 1 . 2]" 1
321 1 21 GLN H 1 21 GLN QE 0.000 . 5.500 4.045 2.990 4.787 . 0 0 "[ . 1 . 2]" 1
322 1 21 GLN HA 1 22 SER H 0.000 . 4.000 3.508 3.486 3.560 . 0 0 "[ . 1 . 2]" 1
323 1 21 GLN HA 1 23 GLU H 0.000 . 5.000 4.362 4.064 4.791 . 0 0 "[ . 1 . 2]" 1
324 1 21 GLN HA 1 24 VAL H 0.000 . 4.000 3.621 3.413 3.886 . 0 0 "[ . 1 . 2]" 1
325 1 21 GLN HA 1 25 THR H 0.000 . 5.000 4.041 3.780 4.462 . 0 0 "[ . 1 . 2]" 1
326 1 21 GLN QB 1 22 SER H 0.000 . 4.000 3.284 2.332 3.521 . 0 0 "[ . 1 . 2]" 1
327 1 21 GLN QG 1 22 SER H 0.000 . 5.000 2.422 1.917 3.985 . 0 0 "[ . 1 . 2]" 1
328 1 21 GLN HE21 1 22 SER H 0.000 . 6.000 5.087 4.759 5.420 . 0 0 "[ . 1 . 2]" 1
329 1 21 GLN HE22 1 22 SER H 0.000 . 6.000 5.897 5.323 6.009 0.009 13 0 "[ . 1 . 2]" 1
330 1 21 GLN HA 1 24 VAL HB 0.000 . 4.000 3.128 2.780 3.488 . 0 0 "[ . 1 . 2]" 1
331 1 21 GLN HA 1 24 VAL MG2 0.000 . 5.000 2.840 2.321 3.413 . 0 0 "[ . 1 . 2]" 1
332 1 21 GLN HA 1 24 VAL MG1 0.000 . 5.000 4.432 4.150 4.792 . 0 0 "[ . 1 . 2]" 1
333 1 21 GLN HA 1 24 VAL QG 0.000 . 4.500 2.804 2.314 3.344 . 0 0 "[ . 1 . 2]" 1
334 1 22 SER H 1 22 SER HA 0.000 . 3.000 2.828 2.795 2.853 . 0 0 "[ . 1 . 2]" 1
335 1 22 SER H 1 23 GLU H 0.000 . 3.000 2.624 2.500 2.739 . 0 0 "[ . 1 . 2]" 1
336 1 22 SER H 1 22 SER QB 0.000 . 3.000 2.290 2.138 2.533 . 0 0 "[ . 1 . 2]" 1
337 1 22 SER QB 1 23 GLU H 0.000 . 4.000 2.827 2.264 3.520 . 0 0 "[ . 1 . 2]" 1
338 1 22 SER HA 1 25 THR H 0.000 . 5.000 3.752 3.374 3.989 . 0 0 "[ . 1 . 2]" 1
339 1 22 SER HA 1 23 GLU H 0.000 . 4.000 3.526 3.480 3.567 . 0 0 "[ . 1 . 2]" 1
340 1 22 SER HA 1 26 ARG H 0.000 . 5.000 4.091 3.895 4.373 . 0 0 "[ . 1 . 2]" 1
341 1 22 SER HA 1 25 THR HG1 0.000 . 4.500 2.733 1.970 4.269 . 0 0 "[ . 1 . 2]" 1
342 1 23 GLU H 1 24 VAL H 0.000 . 3.500 2.708 2.476 2.873 . 0 0 "[ . 1 . 2]" 1
343 1 23 GLU H 1 25 THR H 0.000 . 5.000 4.210 3.808 4.689 . 0 0 "[ . 1 . 2]" 1
344 1 23 GLU QB 1 24 VAL H 0.000 . 4.000 2.417 2.198 2.633 . 0 0 "[ . 1 . 2]" 1
345 1 23 GLU HA 1 26 ARG H 0.000 . 4.500 3.490 3.291 3.650 . 0 0 "[ . 1 . 2]" 1
346 1 23 GLU HA 1 26 ARG QB 0.000 . 4.000 2.522 2.245 3.882 . 0 0 "[ . 1 . 2]" 1
347 1 23 GLU HA 1 26 ARG HD3 0.000 . 5.000 3.461 1.993 4.838 . 0 0 "[ . 1 . 2]" 1
348 1 23 GLU HA 1 26 ARG HD2 0.000 . 5.000 4.172 2.951 5.001 0.001 18 0 "[ . 1 . 2]" 1
349 1 23 GLU HA 1 26 ARG QG 0.000 . 5.000 4.002 2.046 4.708 . 0 0 "[ . 1 . 2]" 1
350 1 23 GLU QG 1 27 ILE MD 0.000 . 4.000 2.707 1.815 3.568 . 0 0 "[ . 1 . 2]" 1
351 1 23 GLU QB 1 24 VAL QG 0.000 . 4.000 2.918 2.688 3.115 . 0 0 "[ . 1 . 2]" 1
352 1 23 GLU QG 1 27 ILE QG 0.000 . 5.000 3.442 2.946 4.332 . 0 0 "[ . 1 . 2]" 1
353 1 23 GLU QG 1 24 VAL HA 0.000 . 5.000 4.228 3.512 4.780 . 0 0 "[ . 1 . 2]" 1
354 1 23 GLU HB3 1 24 VAL QG 0.000 . 6.000 2.974 2.730 3.187 . 0 0 "[ . 1 . 2]" 1
355 1 23 GLU HB2 1 24 VAL QG 0.000 . 6.000 4.257 3.931 4.551 . 0 0 "[ . 1 . 2]" 1
356 1 23 GLU QB 1 74 TYR QE 0.000 . 4.500 1.989 1.830 2.315 . 0 0 "[ . 1 . 2]" 1
357 1 24 VAL H 1 25 THR H 0.000 . 4.500 2.782 2.554 2.928 . 0 0 "[ . 1 . 2]" 1
358 1 24 VAL H 1 26 ARG H 0.000 . 4.500 3.993 3.780 4.386 . 0 0 "[ . 1 . 2]" 1
359 1 24 VAL HA 1 25 THR H 0.000 . 4.500 3.545 3.480 3.572 . 0 0 "[ . 1 . 2]" 1
360 1 24 VAL HA 1 26 ARG H 0.000 . 5.000 4.258 4.042 4.714 . 0 0 "[ . 1 . 2]" 1
361 1 24 VAL HA 1 27 ILE H 0.000 . 4.500 3.731 3.407 3.980 . 0 0 "[ . 1 . 2]" 1
362 1 24 VAL HA 1 28 LEU H 0.000 . 5.000 4.204 3.837 4.559 . 0 0 "[ . 1 . 2]" 1
363 1 24 VAL HB 1 25 THR H 0.000 . 4.000 2.478 2.111 2.940 . 0 0 "[ . 1 . 2]" 1
364 1 24 VAL MG1 1 25 THR H 0.000 . 4.000 3.516 3.182 3.809 . 0 0 "[ . 1 . 2]" 1
365 1 24 VAL MG2 1 25 THR H 0.000 . 4.000 3.684 3.569 3.852 . 0 0 "[ . 1 . 2]" 1
366 1 24 VAL H 1 24 VAL MG2 0.000 . 4.000 1.989 1.941 2.109 . 0 0 "[ . 1 . 2]" 1
367 1 24 VAL H 1 24 VAL MG1 0.000 . 4.000 3.761 3.752 3.770 . 0 0 "[ . 1 . 2]" 1
368 1 24 VAL HA 1 27 ILE HB 0.000 . 4.500 3.587 3.166 4.111 . 0 0 "[ . 1 . 2]" 1
369 1 24 VAL QG 1 64 ILE HG13 0.000 . 5.000 3.560 3.069 4.074 . 0 0 "[ . 1 . 2]" 1
370 1 24 VAL QG 1 64 ILE HG12 0.000 . 5.000 3.669 3.022 4.328 . 0 0 "[ . 1 . 2]" 1
371 1 24 VAL QG 1 64 ILE MD 0.000 . 4.000 3.153 2.622 3.757 . 0 0 "[ . 1 . 2]" 1
372 1 24 VAL QG 1 62 PRO QB 0.000 . 5.000 2.752 2.302 3.186 . 0 0 "[ . 1 . 2]" 1
373 1 24 VAL QG 1 62 PRO HG3 0.000 . 5.000 4.214 3.559 4.741 . 0 0 "[ . 1 . 2]" 1
374 1 24 VAL QG 1 62 PRO HG2 0.000 . 5.000 4.701 3.868 5.014 0.014 18 0 "[ . 1 . 2]" 1
375 1 24 VAL QG 1 62 PRO QD 0.000 . 6.000 5.053 4.557 5.484 . 0 0 "[ . 1 . 2]" 1
376 1 24 VAL HA 1 27 ILE MD 0.000 . 4.500 2.885 2.056 4.503 0.003 2 0 "[ . 1 . 2]" 1
377 1 24 VAL QG 1 74 TYR QB 0.000 . 5.000 3.182 2.599 3.922 . 0 0 "[ . 1 . 2]" 1
378 1 24 VAL QG 1 77 PHE HB3 0.000 . 5.000 3.607 3.166 4.210 . 0 0 "[ . 1 . 2]" 1
379 1 24 VAL QG 1 77 PHE HB2 0.000 . 5.000 4.138 3.614 4.704 . 0 0 "[ . 1 . 2]" 1
380 1 24 VAL QG 1 74 TYR QD 0.000 . 4.000 2.035 1.867 2.600 . 0 0 "[ . 1 . 2]" 1
381 1 24 VAL MG1 1 77 PHE QE 0.000 . 5.000 3.621 2.848 4.214 . 0 0 "[ . 1 . 2]" 1
382 1 24 VAL MG2 1 77 PHE QE 0.000 . 5.000 4.383 3.759 5.011 0.011 18 0 "[ . 1 . 2]" 1
383 1 24 VAL HA 1 77 PHE QE 0.000 . 4.500 3.493 2.623 4.356 . 0 0 "[ . 1 . 2]" 1
384 1 25 THR H 1 26 ARG H 0.000 . 3.000 2.574 2.377 2.673 . 0 0 "[ . 1 . 2]" 1
385 1 25 THR H 1 27 ILE H 0.000 . 5.000 4.372 4.020 4.688 . 0 0 "[ . 1 . 2]" 1
386 1 25 THR HG1 1 26 ARG H 0.000 . 5.000 2.997 2.347 3.734 . 0 0 "[ . 1 . 2]" 1
387 1 25 THR HA 1 28 LEU H 0.000 . 4.500 3.559 3.276 3.900 . 0 0 "[ . 1 . 2]" 1
388 1 25 THR HA 1 26 ARG H 0.000 . 4.000 3.495 3.476 3.558 . 0 0 "[ . 1 . 2]" 1
389 1 25 THR HA 1 28 LEU HB3 0.000 . 5.000 4.203 3.179 4.729 . 0 0 "[ . 1 . 2]" 1
390 1 25 THR HA 1 28 LEU HB2 0.000 . 4.500 2.623 2.270 3.070 . 0 0 "[ . 1 . 2]" 1
391 1 25 THR HA 1 28 LEU QD 0.000 . 4.500 2.640 2.024 3.398 . 0 0 "[ . 1 . 2]" 1
392 1 25 THR HG1 1 35 TYR QE 0.000 . 5.000 3.349 2.547 4.266 . 0 0 "[ . 1 . 2]" 1
393 1 26 ARG H 1 27 ILE H 0.000 . 4.000 2.716 2.503 2.881 . 0 0 "[ . 1 . 2]" 1
394 1 26 ARG H 1 29 ASP H 0.000 . 6.000 4.616 4.480 4.726 . 0 0 "[ . 1 . 2]" 1
395 1 26 ARG H 1 26 ARG HA 0.000 . 3.000 2.812 2.783 2.856 . 0 0 "[ . 1 . 2]" 1
396 1 26 ARG H 1 26 ARG QG 0.000 . 4.000 3.452 1.994 3.975 . 0 0 "[ . 1 . 2]" 1
397 1 26 ARG QG 1 27 ILE H 0.000 . 4.500 4.072 2.023 4.449 . 0 0 "[ . 1 . 2]" 1
398 1 26 ARG HA 1 27 ILE H 0.000 . 4.000 3.546 3.485 3.570 . 0 0 "[ . 1 . 2]" 1
399 1 26 ARG HA 1 29 ASP H 0.000 . 4.500 3.920 3.669 4.274 . 0 0 "[ . 1 . 2]" 1
400 1 26 ARG HA 1 29 ASP HB3 0.000 . 4.500 3.229 2.662 4.474 . 0 0 "[ . 1 . 2]" 1
401 1 26 ARG HA 1 29 ASP HB2 0.000 . 4.500 3.811 2.710 4.499 . 0 0 "[ . 1 . 2]" 1
402 1 26 ARG HA 1 26 ARG QD 0.000 . 5.000 3.827 3.311 4.412 . 0 0 "[ . 1 . 2]" 1
403 1 27 ILE H 1 29 ASP H 0.000 . 5.000 4.126 3.999 4.492 . 0 0 "[ . 1 . 2]" 1
404 1 27 ILE H 1 28 LEU H 0.000 . 4.000 2.645 2.278 2.839 . 0 0 "[ . 1 . 2]" 1
405 1 27 ILE H 1 27 ILE HB 0.000 . 4.000 2.625 2.586 2.657 . 0 0 "[ . 1 . 2]" 1
406 1 27 ILE HB 1 28 LEU H 0.000 . 4.500 2.436 2.162 2.917 . 0 0 "[ . 1 . 2]" 1
407 1 27 ILE H 1 27 ILE MD 0.000 . 3.500 3.138 2.148 3.504 0.004 10 0 "[ . 1 . 2]" 1
408 1 27 ILE HA 1 28 LEU H 0.000 . 4.000 3.552 3.486 3.573 . 0 0 "[ . 1 . 2]" 1
409 1 27 ILE HA 1 29 ASP H 0.000 . 5.000 4.637 4.472 5.003 0.003 14 0 "[ . 1 . 2]" 1
410 1 27 ILE HA 1 30 GLY H 0.000 . 4.500 3.738 3.467 3.855 . 0 0 "[ . 1 . 2]" 1
411 1 27 ILE HB 1 81 VAL QG 0.000 . 6.000 4.341 3.535 5.138 . 0 0 "[ . 1 . 2]" 1
412 1 27 ILE MD 1 81 VAL MG1 0.000 . 5.000 3.742 2.279 4.803 . 0 0 "[ . 1 . 2]" 1
413 1 27 ILE MD 1 81 VAL MG2 0.000 . 5.000 3.102 1.993 4.084 . 0 0 "[ . 1 . 2]" 1
414 1 27 ILE MG 1 31 LYS H 0.000 . 5.000 4.368 3.969 5.003 0.003 17 0 "[ . 1 . 2]" 1
415 1 27 ILE MG 1 81 VAL MG1 0.000 . 4.000 3.109 2.302 3.905 . 0 0 "[ . 1 . 2]" 1
416 1 27 ILE MG 1 81 VAL MG2 0.000 . 4.000 2.836 1.945 3.391 . 0 0 "[ . 1 . 2]" 1
417 1 27 ILE MG 1 86 LEU QD 0.000 . 4.000 3.029 2.033 3.808 . 0 0 "[ . 1 . 2]" 1
418 1 27 ILE MG 1 31 LYS QG 0.000 . 5.000 3.129 2.222 3.655 . 0 0 "[ . 1 . 2]" 1
419 1 27 ILE MG 1 31 LYS QE 0.000 . 5.000 3.369 2.068 4.236 . 0 0 "[ . 1 . 2]" 1
420 1 27 ILE MG 1 77 PHE QE 0.000 . 5.000 2.923 2.041 3.612 . 0 0 "[ . 1 . 2]" 1
421 1 27 ILE HB 1 77 PHE QE 0.000 . 4.500 2.983 2.414 3.527 . 0 0 "[ . 1 . 2]" 1
422 1 27 ILE HB 1 77 PHE HZ 0.000 . 4.000 2.734 1.986 3.449 . 0 0 "[ . 1 . 2]" 1
423 1 27 ILE MD 1 77 PHE QE 0.000 . 4.000 2.106 1.829 3.826 . 0 0 "[ . 1 . 2]" 1
424 1 28 LEU H 1 29 ASP H 0.000 . 4.000 2.724 2.477 2.926 . 0 0 "[ . 1 . 2]" 1
425 1 28 LEU H 1 28 LEU QD 0.000 . 4.000 3.029 2.800 3.254 . 0 0 "[ . 1 . 2]" 1
426 1 28 LEU H 1 28 LEU MD1 0.000 . 4.000 3.269 2.876 3.628 . 0 0 "[ . 1 . 2]" 1
427 1 28 LEU H 1 28 LEU MD2 0.000 . 4.000 3.663 3.356 4.018 0.018 14 0 "[ . 1 . 2]" 1
428 1 28 LEU HA 1 29 ASP H 0.000 . 4.000 3.548 3.535 3.564 . 0 0 "[ . 1 . 2]" 1
429 1 28 LEU HA 1 31 LYS H 0.000 . 4.000 3.591 3.483 3.860 . 0 0 "[ . 1 . 2]" 1
430 1 28 LEU HB3 1 29 ASP H 0.000 . 3.500 3.450 2.370 3.514 0.014 1 0 "[ . 1 . 2]" 1
431 1 28 LEU HB2 1 29 ASP H 0.000 . 3.500 2.528 2.307 2.932 . 0 0 "[ . 1 . 2]" 1
432 1 28 LEU HG 1 29 ASP H 0.000 . 4.500 4.393 4.118 4.523 0.023 14 0 "[ . 1 . 2]" 1
433 1 28 LEU QD 1 29 ASP H 0.000 . 5.500 3.936 3.758 4.102 . 0 0 "[ . 1 . 2]" 1
434 1 28 LEU QD 1 90 LEU MD1 0.000 . 6.000 3.091 2.071 3.937 . 0 0 "[ . 1 . 2]" 1
435 1 28 LEU QD 1 90 LEU MD2 0.000 . 6.000 3.017 2.061 4.026 . 0 0 "[ . 1 . 2]" 1
436 1 28 LEU QD 1 35 TYR HB3 0.000 . 5.000 3.135 2.509 3.924 . 0 0 "[ . 1 . 2]" 1
437 1 28 LEU QD 1 35 TYR HB2 0.000 . 5.000 3.524 2.781 4.354 . 0 0 "[ . 1 . 2]" 1
438 1 28 LEU QD 1 64 ILE MG 0.000 . 5.000 3.889 3.409 4.613 . 0 0 "[ . 1 . 2]" 1
439 1 28 LEU HA 1 31 LYS QD 0.000 . 5.000 2.675 2.010 3.169 . 0 0 "[ . 1 . 2]" 1
440 1 28 LEU QD 1 33 ILE MD 0.000 . 5.000 1.945 1.703 2.308 . 0 0 "[ . 1 . 2]" 1
441 1 28 LEU QB 1 31 LYS QD 0.000 . 5.000 4.548 3.972 5.013 0.013 17 0 "[ . 1 . 2]" 1
442 1 28 LEU HA 1 31 LYS QE 0.000 . 5.000 4.333 3.444 4.999 . 0 0 "[ . 1 . 2]" 1
443 1 28 LEU HA 1 28 LEU QD 0.000 . 4.000 2.301 1.938 2.694 . 0 0 "[ . 1 . 2]" 1
444 1 28 LEU HA 1 33 ILE H 0.000 . 5.000 4.393 4.157 4.600 . 0 0 "[ . 1 . 2]" 1
445 1 28 LEU QD 1 35 TYR QD 0.000 . 4.000 2.801 2.540 3.189 . 0 0 "[ . 1 . 2]" 1
446 1 28 LEU QD 1 35 TYR QE 0.000 . 4.000 2.738 2.464 3.228 . 0 0 "[ . 1 . 2]" 1
447 1 28 LEU MD1 1 77 PHE QE 0.000 . 5.000 3.781 1.973 4.281 . 0 0 "[ . 1 . 2]" 1
448 1 28 LEU MD2 1 77 PHE QE 0.000 . 5.000 2.668 2.013 3.355 . 0 0 "[ . 1 . 2]" 1
449 1 28 LEU QD 1 77 PHE QE 0.000 . 4.000 2.549 1.960 3.188 . 0 0 "[ . 1 . 2]" 1
450 1 28 LEU QD 1 77 PHE HZ 0.000 . 4.500 3.050 1.812 3.863 . 0 0 "[ . 1 . 2]" 1
451 1 28 LEU HG 1 77 PHE HZ 0.000 . 4.500 3.235 2.554 4.524 0.024 14 0 "[ . 1 . 2]" 1
452 1 29 ASP H 1 30 GLY H 0.000 . 3.000 2.750 2.466 2.840 . 0 0 "[ . 1 . 2]" 1
453 1 29 ASP H 1 31 LYS H 0.000 . 5.000 3.987 3.865 4.079 . 0 0 "[ . 1 . 2]" 1
454 1 29 ASP H 1 29 ASP HB3 0.000 . 3.500 2.776 2.570 3.508 0.008 3 0 "[ . 1 . 2]" 1
455 1 29 ASP H 1 29 ASP HB2 0.000 . 3.500 2.368 2.161 2.498 . 0 0 "[ . 1 . 2]" 1
456 1 29 ASP H 1 29 ASP HA 0.000 . 3.000 2.808 2.788 2.871 . 0 0 "[ . 1 . 2]" 1
457 1 29 ASP HA 1 30 GLY H 0.000 . 4.500 3.560 3.530 3.571 . 0 0 "[ . 1 . 2]" 1
458 1 29 ASP HA 1 31 LYS H 0.000 . 4.500 4.101 3.789 4.247 . 0 0 "[ . 1 . 2]" 1
459 1 29 ASP HA 1 32 ARG H 0.000 . 4.000 3.476 3.215 3.618 . 0 0 "[ . 1 . 2]" 1
460 1 29 ASP HA 1 33 ILE H 0.000 . 4.500 3.583 3.229 3.938 . 0 0 "[ . 1 . 2]" 1
461 1 29 ASP HB3 1 30 GLY H 0.000 . 4.000 2.485 2.279 3.020 . 0 0 "[ . 1 . 2]" 1
462 1 29 ASP HB2 1 30 GLY H 0.000 . 4.000 3.566 2.540 3.775 . 0 0 "[ . 1 . 2]" 1
463 1 29 ASP H 1 32 ARG H 0.000 . 5.000 4.990 4.824 5.019 0.019 14 0 "[ . 1 . 2]" 1
464 1 30 GLY H 1 31 LYS H 0.000 . 3.000 2.705 2.688 2.727 . 0 0 "[ . 1 . 2]" 1
465 1 30 GLY H 1 32 ARG H 0.000 . 4.500 4.032 3.988 4.074 . 0 0 "[ . 1 . 2]" 1
466 1 30 GLY QA 1 31 LYS H 0.000 . 4.500 2.794 2.760 2.847 . 0 0 "[ . 1 . 2]" 1
467 1 31 LYS H 1 32 ARG H 0.000 . 3.000 2.498 2.313 2.560 . 0 0 "[ . 1 . 2]" 1
468 1 31 LYS H 1 33 ILE H 0.000 . 4.500 4.056 3.736 4.189 . 0 0 "[ . 1 . 2]" 1
469 1 31 LYS H 1 31 LYS HA 0.000 . 3.000 2.872 2.853 2.927 . 0 0 "[ . 1 . 2]" 1
470 1 31 LYS H 1 31 LYS QD 0.000 . 4.000 3.592 3.147 3.882 . 0 0 "[ . 1 . 2]" 1
471 1 31 LYS H 1 31 LYS QG 0.000 . 4.000 2.816 1.951 3.298 . 0 0 "[ . 1 . 2]" 1
472 1 31 LYS HA 1 32 ARG H 0.000 . 4.000 3.352 3.273 3.390 . 0 0 "[ . 1 . 2]" 1
473 1 31 LYS QB 1 32 ARG H 0.000 . 4.000 3.263 3.166 3.608 . 0 0 "[ . 1 . 2]" 1
474 1 31 LYS HA 1 33 ILE H 0.000 . 5.000 5.007 5.004 5.010 0.010 9 0 "[ . 1 . 2]" 1
475 1 31 LYS HA 1 33 ILE MD 0.000 . 5.000 4.972 4.833 5.014 0.014 1 0 "[ . 1 . 2]" 1
476 1 31 LYS QG 1 86 LEU QD 0.000 . 5.000 4.353 3.724 4.993 . 0 0 "[ . 1 . 2]" 1
477 1 31 LYS QD 1 86 LEU QD 0.000 . 5.000 3.201 2.475 3.975 . 0 0 "[ . 1 . 2]" 1
478 1 31 LYS QE 1 86 LEU QD 0.000 . 5.000 2.466 1.873 3.430 . 0 0 "[ . 1 . 2]" 1
479 1 31 LYS HE3 1 81 VAL QG 0.000 . 6.000 4.780 3.287 5.999 . 0 0 "[ . 1 . 2]" 1
480 1 31 LYS HE2 1 81 VAL QG 0.000 . 6.000 4.741 3.620 5.999 . 0 0 "[ . 1 . 2]" 1
481 1 31 LYS HE3 1 90 LEU QD 0.000 . 4.500 3.615 2.737 4.220 . 0 0 "[ . 1 . 2]" 1
482 1 31 LYS HE2 1 90 LEU QD 0.000 . 4.500 3.408 2.456 4.502 0.002 15 0 "[ . 1 . 2]" 1
483 1 31 LYS H 1 33 ILE MD 0.000 . 5.000 4.351 4.042 4.480 . 0 0 "[ . 1 . 2]" 1
484 1 31 LYS QB 1 33 ILE MD 0.000 . 4.000 2.465 2.335 2.665 . 0 0 "[ . 1 . 2]" 1
485 1 31 LYS QE 1 33 ILE MD 0.000 . 6.000 2.729 1.697 3.938 . 0 0 "[ . 1 . 2]" 1
486 1 31 LYS HB3 1 33 ILE QG 0.000 . 4.500 2.397 2.103 3.517 . 0 0 "[ . 1 . 2]" 1
487 1 31 LYS HB2 1 33 ILE QG 0.000 . 4.500 2.199 1.974 2.440 . 0 0 "[ . 1 . 2]" 1
488 1 31 LYS QB 1 33 ILE QG 0.000 . 4.000 1.998 1.920 2.054 . 0 0 "[ . 1 . 2]" 1
489 1 31 LYS QD 1 33 ILE MD 0.000 . 4.500 2.413 2.079 2.877 . 0 0 "[ . 1 . 2]" 1
490 1 32 ARG H 1 32 ARG HA 0.000 . 3.000 2.271 2.270 2.276 . 0 0 "[ . 1 . 2]" 1
491 1 32 ARG H 1 32 ARG QB 0.000 . 3.800 3.272 2.999 3.451 . 0 0 "[ . 1 . 2]" 1
492 1 32 ARG H 1 32 ARG QG 0.000 . 4.000 3.008 2.558 3.966 . 0 0 "[ . 1 . 2]" 1
493 1 32 ARG H 1 32 ARG QD 0.000 . 4.500 3.863 2.816 4.501 0.001 18 0 "[ . 1 . 2]" 1
494 1 32 ARG HB3 1 33 ILE H 0.000 . 4.500 4.397 4.238 4.504 0.004 5 0 "[ . 1 . 2]" 1
495 1 32 ARG HB2 1 33 ILE H 0.000 . 4.500 4.331 4.227 4.511 0.011 11 0 "[ . 1 . 2]" 1
496 1 32 ARG H 1 32 ARG HG3 0.000 . 5.000 3.668 2.606 4.885 . 0 0 "[ . 1 . 2]" 1
497 1 32 ARG H 1 33 ILE MD 0.000 . 5.000 4.953 4.880 4.998 . 0 0 "[ . 1 . 2]" 1
498 1 33 ILE H 1 34 GLN H 0.000 . 4.500 4.560 4.546 4.567 0.067 13 0 "[ . 1 . 2]" 1
499 1 33 ILE H 1 33 ILE MD 0.000 . 4.000 3.720 3.655 3.777 . 0 0 "[ . 1 . 2]" 1
500 1 33 ILE HA 1 34 GLN H 0.000 . 3.000 2.332 2.312 2.347 . 0 0 "[ . 1 . 2]" 1
501 1 33 ILE HA 1 35 TYR H 0.000 . 4.500 4.355 4.098 4.521 0.021 12 0 "[ . 1 . 2]" 1
502 1 33 ILE MD 1 34 GLN H 0.000 . 4.500 4.520 4.515 4.530 0.030 12 0 "[ . 1 . 2]" 1
503 1 33 ILE MG 1 34 GLN H 0.000 . 4.000 1.898 1.878 1.921 . 0 0 "[ . 1 . 2]" 1
504 1 33 ILE MG 1 35 TYR H 0.000 . 5.000 2.219 1.956 2.746 . 0 0 "[ . 1 . 2]" 1
505 1 33 ILE H 1 33 ILE QG 0.000 . 4.500 2.193 2.112 2.265 . 0 0 "[ . 1 . 2]" 1
506 1 33 ILE QG 1 34 GLN H 0.000 . 4.000 4.007 4.002 4.016 0.016 17 0 "[ . 1 . 2]" 1
507 1 33 ILE MG 1 35 TYR HB3 0.000 . 4.500 2.398 2.115 2.713 . 0 0 "[ . 1 . 2]" 1
508 1 33 ILE MG 1 35 TYR HB2 0.000 . 4.500 3.857 3.600 4.157 . 0 0 "[ . 1 . 2]" 1
509 1 33 ILE MG 1 35 TYR QB 0.000 . 5.000 2.376 2.101 2.679 . 0 0 "[ . 1 . 2]" 1
510 1 33 ILE MD 1 77 PHE QD 0.000 . 6.000 6.009 6.004 6.016 0.016 4 0 "[ . 1 . 2]" 1
511 1 33 ILE MD 1 77 PHE QE 0.000 . 6.000 4.302 4.205 4.516 . 0 0 "[ . 1 . 2]" 1
512 1 34 GLN H 1 35 TYR H 0.000 . 4.500 3.013 2.808 3.355 . 0 0 "[ . 1 . 2]" 1
513 1 34 GLN H 1 34 GLN QB 0.000 . 3.000 2.588 2.254 2.957 . 0 0 "[ . 1 . 2]" 1
514 1 34 GLN H 1 34 GLN HG3 0.000 . 4.500 3.294 1.961 4.381 . 0 0 "[ . 1 . 2]" 1
515 1 34 GLN H 1 34 GLN HG2 0.000 . 4.500 3.589 2.142 4.542 0.042 12 0 "[ . 1 . 2]" 1
516 1 34 GLN QB 1 35 TYR H 0.000 . 4.500 3.906 3.805 4.039 . 0 0 "[ . 1 . 2]" 1
517 1 34 GLN HA 1 35 TYR H 0.000 . 3.000 2.737 2.591 2.905 . 0 0 "[ . 1 . 2]" 1
518 1 34 GLN QE 1 35 TYR H 0.000 . 4.500 4.426 4.010 4.514 0.014 1 0 "[ . 1 . 2]" 1
519 1 35 TYR H 1 36 GLN H 0.000 . 5.000 4.597 4.527 4.637 . 0 0 "[ . 1 . 2]" 1
520 1 35 TYR HA 1 36 GLN H 0.000 . 3.000 2.350 2.262 2.453 . 0 0 "[ . 1 . 2]" 1
521 1 35 TYR QB 1 36 GLN H 0.000 . 4.500 2.585 2.388 2.779 . 0 0 "[ . 1 . 2]" 1
522 1 35 TYR QE 1 37 LEU HG 0.000 . 4.500 4.127 3.298 4.511 0.011 18 0 "[ . 1 . 2]" 1
523 1 35 TYR QE 1 37 LEU QD 0.000 . 4.000 3.015 1.926 3.859 . 0 0 "[ . 1 . 2]" 1
524 1 36 GLN H 1 37 LEU H 0.000 . 4.500 4.507 4.441 4.572 0.072 19 0 "[ . 1 . 2]" 1
525 1 36 GLN HA 1 37 LEU H 0.000 . 3.000 2.580 2.351 2.617 . 0 0 "[ . 1 . 2]" 1
526 1 36 GLN HG3 1 37 LEU H 0.000 . 4.000 2.888 1.899 3.963 . 0 0 "[ . 1 . 2]" 1
527 1 36 GLN HG2 1 37 LEU H 0.000 . 4.000 3.478 2.072 3.989 . 0 0 "[ . 1 . 2]" 1
528 1 36 GLN HG3 1 38 VAL QG 0.000 . 4.500 3.419 2.565 4.511 0.011 17 0 "[ . 1 . 2]" 1
529 1 36 GLN HG2 1 38 VAL QG 0.000 . 4.500 3.723 3.246 4.511 0.011 17 0 "[ . 1 . 2]" 1
530 1 36 GLN HE21 1 38 VAL QG 0.000 . 6.000 4.518 2.935 5.396 . 0 0 "[ . 1 . 2]" 1
531 1 36 GLN HE22 1 38 VAL QG 0.000 . 6.000 5.239 2.357 6.017 0.017 13 0 "[ . 1 . 2]" 1
532 1 37 LEU H 1 38 VAL H 0.000 . 4.000 3.602 3.320 3.885 . 0 0 "[ . 1 . 2]" 1
533 1 37 LEU H 1 39 ASP H 0.000 . 5.000 5.102 5.068 5.127 0.127 14 0 "[ . 1 . 2]" 1
534 1 37 LEU H 1 37 LEU HB3 0.000 . 3.000 2.940 2.786 3.031 0.031 17 0 "[ . 1 . 2]" 1
535 1 37 LEU H 1 37 LEU HB2 0.000 . 3.000 2.997 2.899 3.028 0.028 13 0 "[ . 1 . 2]" 1
536 1 37 LEU H 1 37 LEU QD 0.000 . 4.000 3.928 3.825 3.990 . 0 0 "[ . 1 . 2]" 1
537 1 37 LEU HA 1 38 VAL H 0.000 . 3.000 2.232 2.152 2.304 . 0 0 "[ . 1 . 2]" 1
538 1 37 LEU HB2 1 38 VAL H 0.000 . 4.500 4.571 4.529 4.598 0.098 14 0 "[ . 1 . 2]" 1
539 1 37 LEU HB3 1 38 VAL H 0.000 . 4.500 4.330 4.247 4.367 . 0 0 "[ . 1 . 2]" 1
540 1 37 LEU QB 1 38 VAL H 0.000 . 4.000 3.955 3.902 3.979 . 0 0 "[ . 1 . 2]" 1
541 1 37 LEU QD 1 38 VAL H 0.000 . 4.000 3.621 3.228 4.008 0.008 18 0 "[ . 1 . 2]" 1
542 1 38 VAL H 1 38 VAL HB 0.000 . 4.000 3.570 3.042 3.614 . 0 0 "[ . 1 . 2]" 1
543 1 38 VAL HA 1 39 ASP H 0.000 . 3.000 2.302 2.286 2.317 . 0 0 "[ . 1 . 2]" 1
544 1 38 VAL HB 1 39 ASP H 0.000 . 4.500 4.127 4.113 4.286 . 0 0 "[ . 1 . 2]" 1
545 1 38 VAL MG1 1 39 ASP H 0.000 . 5.000 4.143 3.730 4.197 . 0 0 "[ . 1 . 2]" 1
546 1 38 VAL MG2 1 39 ASP H 0.000 . 5.000 4.219 4.148 4.418 . 0 0 "[ . 1 . 2]" 1
547 1 38 VAL QG 1 39 ASP H 0.000 . 4.500 3.719 3.543 3.747 . 0 0 "[ . 1 . 2]" 1
548 1 38 VAL HA 1 39 ASP HA 0.000 . 5.000 4.495 4.488 4.502 . 0 0 "[ . 1 . 2]" 1
549 1 39 ASP H 1 40 ILE H 0.000 . 5.000 4.450 4.299 4.529 . 0 0 "[ . 1 . 2]" 1
550 1 39 ASP HA 1 41 SER H 0.000 . 4.500 3.533 3.376 3.687 . 0 0 "[ . 1 . 2]" 1
551 1 39 ASP H 1 39 ASP HB3 0.000 . 4.000 3.047 2.545 3.623 . 0 0 "[ . 1 . 2]" 1
552 1 39 ASP H 1 39 ASP HB2 0.000 . 4.000 2.616 2.124 3.594 . 0 0 "[ . 1 . 2]" 1
553 1 39 ASP HA 1 40 ILE H 0.000 . 3.000 2.132 2.123 2.159 . 0 0 "[ . 1 . 2]" 1
554 1 39 ASP HB3 1 40 ILE H 0.000 . 5.000 3.942 3.450 4.193 . 0 0 "[ . 1 . 2]" 1
555 1 39 ASP HB2 1 40 ILE H 0.000 . 5.000 4.212 3.277 4.582 . 0 0 "[ . 1 . 2]" 1
556 1 39 ASP QB 1 42 GLN HB3 0.000 . 5.000 4.384 3.913 4.969 . 0 0 "[ . 1 . 2]" 1
557 1 39 ASP QB 1 42 GLN HB2 0.000 . 5.000 3.432 3.097 3.873 . 0 0 "[ . 1 . 2]" 1
558 1 39 ASP QB 1 42 GLN QB 0.000 . 4.500 3.315 2.985 3.716 . 0 0 "[ . 1 . 2]" 1
559 1 39 ASP QB 1 42 GLN QG 0.000 . 5.000 4.946 4.542 5.018 0.018 14 0 "[ . 1 . 2]" 1
560 1 40 ILE H 1 41 SER H 0.000 . 4.500 2.499 2.302 2.614 . 0 0 "[ . 1 . 2]" 1
561 1 40 ILE HA 1 42 GLN H 0.000 . 6.000 3.667 3.569 3.811 . 0 0 "[ . 1 . 2]" 1
562 1 40 ILE HA 1 41 SER H 0.000 . 4.500 3.402 3.305 3.466 . 0 0 "[ . 1 . 2]" 1
563 1 40 ILE MD 1 41 SER H 0.000 . 4.500 4.290 4.069 4.509 0.009 7 0 "[ . 1 . 2]" 1
564 1 40 ILE MG 1 41 SER H 0.000 . 4.500 4.130 4.014 4.222 . 0 0 "[ . 1 . 2]" 1
565 1 40 ILE H 1 40 ILE MD 0.000 . 4.000 3.652 3.563 3.731 . 0 0 "[ . 1 . 2]" 1
566 1 40 ILE HA 1 40 ILE MD 0.000 . 4.500 4.160 4.139 4.175 . 0 0 "[ . 1 . 2]" 1
567 1 40 ILE MD 1 47 ARG HA 0.000 . 5.000 2.169 1.952 2.712 . 0 0 "[ . 1 . 2]" 1
568 1 40 ILE MD 1 47 ARG QG 0.000 . 4.000 2.115 1.828 4.002 0.002 13 0 "[ . 1 . 2]" 1
569 1 40 ILE MD 1 46 LEU QB 0.000 . 5.000 4.066 3.991 4.258 . 0 0 "[ . 1 . 2]" 1
570 1 40 ILE MD 1 46 LEU H 0.000 . 6.000 6.012 5.998 6.029 0.029 6 0 "[ . 1 . 2]" 1
571 1 40 ILE MD 1 47 ARG H 0.000 . 5.000 4.191 4.035 4.664 . 0 0 "[ . 1 . 2]" 1
572 1 40 ILE MG 1 47 ARG HA 0.000 . 5.000 2.707 2.310 3.049 . 0 0 "[ . 1 . 2]" 1
573 1 40 ILE MG 1 46 LEU HG 0.000 . 6.000 4.193 3.601 4.387 . 0 0 "[ . 1 . 2]" 1
574 1 40 ILE MG 1 46 LEU QB 0.000 . 4.500 1.885 1.852 2.079 . 0 0 "[ . 1 . 2]" 1
575 1 40 ILE MD 1 60 THR H 0.000 . 6.000 6.010 6.001 6.017 0.017 2 0 "[ . 1 . 2]" 1
576 1 40 ILE HB 1 47 ARG H 0.000 . 5.000 3.037 2.827 3.594 . 0 0 "[ . 1 . 2]" 1
577 1 40 ILE HB 1 47 ARG HA 0.000 . 5.000 2.606 2.281 3.021 . 0 0 "[ . 1 . 2]" 1
578 1 40 ILE MG 1 50 MET QG 0.000 . 6.000 2.979 2.895 3.109 . 0 0 "[ . 1 . 2]" 1
579 1 40 ILE QG 1 50 MET QG 0.000 . 5.000 5.006 5.002 5.008 0.008 16 0 "[ . 1 . 2]" 1
580 1 40 ILE MD 1 50 MET QB 0.000 . 4.500 3.341 2.776 3.811 . 0 0 "[ . 1 . 2]" 1
581 1 40 ILE HA 1 46 LEU HB3 0.000 . 4.500 2.118 1.961 2.427 . 0 0 "[ . 1 . 2]" 1
582 1 40 ILE HA 1 46 LEU HB2 0.000 . 4.500 2.117 1.960 2.357 . 0 0 "[ . 1 . 2]" 1
583 1 40 ILE HA 1 46 LEU QB 0.000 . 4.000 1.869 1.827 1.969 . 0 0 "[ . 1 . 2]" 1
584 1 40 ILE HB 1 46 LEU QB 0.000 . 4.500 2.588 2.467 2.779 . 0 0 "[ . 1 . 2]" 1
585 1 40 ILE HA 1 46 LEU HG 0.000 . 5.000 3.890 2.592 4.309 . 0 0 "[ . 1 . 2]" 1
586 1 40 ILE MD 1 61 PRO QD 0.000 . 4.000 3.962 3.771 4.015 0.015 4 0 "[ . 1 . 2]" 1
587 1 40 ILE MD 1 61 PRO QG 0.000 . 5.000 3.717 2.870 4.941 . 0 0 "[ . 1 . 2]" 1
588 1 41 SER H 1 42 GLN H 0.000 . 4.000 2.710 2.423 3.527 . 0 0 "[ . 1 . 2]" 1
589 1 41 SER H 1 43 ASP H 0.000 . 5.000 4.937 4.523 5.010 0.010 13 0 "[ . 1 . 2]" 1
590 1 41 SER H 1 42 GLN HB3 0.000 . 5.000 5.011 5.004 5.023 0.023 9 0 "[ . 1 . 2]" 1
591 1 41 SER H 1 42 GLN HB2 0.000 . 5.000 4.736 4.314 4.917 . 0 0 "[ . 1 . 2]" 1
592 1 42 GLN H 1 43 ASP H 0.000 . 3.000 2.895 2.185 3.007 0.007 1 0 "[ . 1 . 2]" 1
593 1 42 GLN H 1 42 GLN QB 0.000 . 3.500 2.285 2.160 2.863 . 0 0 "[ . 1 . 2]" 1
594 1 42 GLN HB3 1 43 ASP H 0.000 . 3.500 2.056 1.991 2.306 . 0 0 "[ . 1 . 2]" 1
595 1 42 GLN HB2 1 43 ASP H 0.000 . 3.500 3.512 3.499 3.519 0.019 13 0 "[ . 1 . 2]" 1
596 1 42 GLN H 1 46 LEU QD 0.000 . 5.000 3.883 3.339 4.947 . 0 0 "[ . 1 . 2]" 1
597 1 42 GLN HB3 1 46 LEU QD 0.000 . 5.000 2.901 2.409 3.809 . 0 0 "[ . 1 . 2]" 1
598 1 42 GLN HB2 1 46 LEU QD 0.000 . 5.000 4.083 3.580 5.002 0.002 18 0 "[ . 1 . 2]" 1
599 1 42 GLN QG 1 46 LEU QD 0.000 . 5.000 4.166 3.381 4.792 . 0 0 "[ . 1 . 2]" 1
600 1 42 GLN QB 1 43 ASP HB3 0.000 . 5.500 4.489 4.117 4.984 . 0 0 "[ . 1 . 2]" 1
601 1 42 GLN QB 1 43 ASP HB2 0.000 . 5.500 3.394 3.252 3.592 . 0 0 "[ . 1 . 2]" 1
602 1 42 GLN QB 1 43 ASP QB 0.000 . 4.500 3.292 3.162 3.441 . 0 0 "[ . 1 . 2]" 1
603 1 42 GLN HE21 1 43 ASP QB 0.000 . 6.000 4.426 2.075 5.712 . 0 0 "[ . 1 . 2]" 1
604 1 42 GLN HE22 1 43 ASP QB 0.000 . 6.000 4.257 1.995 5.994 . 0 0 "[ . 1 . 2]" 1
605 1 43 ASP H 1 45 ALA H 0.000 . 5.000 5.007 5.003 5.011 0.011 3 0 "[ . 1 . 2]" 1
606 1 43 ASP H 1 43 ASP QB 0.000 . 3.000 2.423 2.270 2.518 . 0 0 "[ . 1 . 2]" 1
607 1 43 ASP QB 1 45 ALA H 0.000 . 4.500 2.644 2.188 3.059 . 0 0 "[ . 1 . 2]" 1
608 1 43 ASP H 1 46 LEU QB 0.000 . 5.000 3.340 3.149 3.507 . 0 0 "[ . 1 . 2]" 1
609 1 43 ASP QB 1 46 LEU HG 0.000 . 4.000 3.445 2.625 4.002 0.002 20 0 "[ . 1 . 2]" 1
610 1 43 ASP QB 1 46 LEU QB 0.000 . 5.000 3.404 2.760 3.776 . 0 0 "[ . 1 . 2]" 1
611 1 43 ASP H 1 46 LEU QD 0.000 . 4.000 2.334 1.951 3.203 . 0 0 "[ . 1 . 2]" 1
612 1 43 ASP QB 1 46 LEU QD 0.000 . 4.000 2.055 1.773 2.557 . 0 0 "[ . 1 . 2]" 1
613 1 43 ASP QB 1 45 ALA MB 0.000 . 5.000 2.969 2.555 3.379 . 0 0 "[ . 1 . 2]" 1
614 1 44 ASN H 1 45 ALA H 0.000 . 5.000 2.516 2.138 2.725 . 0 0 "[ . 1 . 2]" 1
615 1 44 ASN HA 1 45 ALA H 0.000 . 4.500 3.441 3.390 3.467 . 0 0 "[ . 1 . 2]" 1
616 1 44 ASN HA 1 46 LEU H 0.000 . 4.500 4.034 3.468 4.320 . 0 0 "[ . 1 . 2]" 1
617 1 44 ASN HA 1 47 ARG H 0.000 . 4.500 3.416 3.265 3.622 . 0 0 "[ . 1 . 2]" 1
618 1 44 ASN HA 1 48 ASP H 0.000 . 5.000 4.719 4.435 4.991 . 0 0 "[ . 1 . 2]" 1
619 1 44 ASN HB3 1 45 ALA H 0.000 . 4.500 3.732 3.121 4.216 . 0 0 "[ . 1 . 2]" 1
620 1 44 ASN HB2 1 45 ALA H 0.000 . 4.500 3.435 3.036 4.090 . 0 0 "[ . 1 . 2]" 1
621 1 44 ASN QB 1 45 ALA H 0.000 . 4.000 3.127 2.932 3.682 . 0 0 "[ . 1 . 2]" 1
622 1 44 ASN HA 1 47 ARG QB 0.000 . 4.500 3.042 2.544 4.057 . 0 0 "[ . 1 . 2]" 1
623 1 44 ASN HA 1 47 ARG QD 0.000 . 4.500 3.033 1.983 4.143 . 0 0 "[ . 1 . 2]" 1
624 1 44 ASN QB 1 47 ARG QD 0.000 . 5.000 4.213 3.550 5.005 0.005 7 0 "[ . 1 . 2]" 1
625 1 44 ASN HA 1 44 ASN HD22 0.000 . 5.000 4.339 3.665 5.012 0.012 20 0 "[ . 1 . 2]" 1
626 1 45 ALA H 1 46 LEU H 0.000 . 3.000 2.576 2.400 2.729 . 0 0 "[ . 1 . 2]" 1
627 1 45 ALA H 1 45 ALA MB 0.000 . 3.000 2.162 2.097 2.270 . 0 0 "[ . 1 . 2]" 1
628 1 45 ALA H 1 47 ARG H 0.000 . 4.500 4.114 3.958 4.380 . 0 0 "[ . 1 . 2]" 1
629 1 45 ALA HA 1 47 ARG H 0.000 . 5.000 4.119 3.933 4.372 . 0 0 "[ . 1 . 2]" 1
630 1 45 ALA HA 1 46 LEU H 0.000 . 3.500 3.485 3.275 3.533 0.033 19 0 "[ . 1 . 2]" 1
631 1 45 ALA HA 1 48 ASP H 0.000 . 4.500 3.489 3.302 3.792 . 0 0 "[ . 1 . 2]" 1
632 1 45 ALA HA 1 48 ASP HB3 0.000 . 4.500 4.071 3.376 4.504 0.004 16 0 "[ . 1 . 2]" 1
633 1 45 ALA HA 1 48 ASP HB2 0.000 . 4.500 3.733 3.075 4.232 . 0 0 "[ . 1 . 2]" 1
634 1 45 ALA HA 1 49 GLU H 0.000 . 4.500 4.518 4.503 4.533 0.033 5 0 "[ . 1 . 2]" 1
635 1 45 ALA MB 1 46 LEU H 0.000 . 4.500 2.787 2.496 3.340 . 0 0 "[ . 1 . 2]" 1
636 1 46 LEU H 1 47 ARG H 0.000 . 3.500 2.555 2.160 2.668 . 0 0 "[ . 1 . 2]" 1
637 1 46 LEU H 1 48 ASP H 0.000 . 5.000 4.327 3.872 4.628 . 0 0 "[ . 1 . 2]" 1
638 1 46 LEU H 1 46 LEU HG 0.000 . 4.000 3.105 2.593 4.007 0.007 5 0 "[ . 1 . 2]" 1
639 1 46 LEU HB3 1 47 ARG H 0.000 . 4.500 3.600 3.412 3.735 . 0 0 "[ . 1 . 2]" 1
640 1 46 LEU HB2 1 47 ARG H 0.000 . 4.500 2.859 2.678 3.056 . 0 0 "[ . 1 . 2]" 1
641 1 46 LEU QB 1 47 ARG H 0.000 . 4.000 2.752 2.601 2.907 . 0 0 "[ . 1 . 2]" 1
642 1 46 LEU QD 1 47 ARG H 0.000 . 5.000 3.994 3.556 4.262 . 0 0 "[ . 1 . 2]" 1
643 1 46 LEU HG 1 47 ARG H 0.000 . 5.000 4.827 4.615 5.018 0.018 18 0 "[ . 1 . 2]" 1
644 1 46 LEU HA 1 47 ARG H 0.000 . 4.500 3.498 3.468 3.527 . 0 0 "[ . 1 . 2]" 1
645 1 46 LEU HA 1 49 GLU H 0.000 . 4.500 3.440 3.359 3.598 . 0 0 "[ . 1 . 2]" 1
646 1 46 LEU HA 1 49 GLU HB3 0.000 . 4.500 2.287 1.968 3.514 . 0 0 "[ . 1 . 2]" 1
647 1 46 LEU HA 1 49 GLU HB2 0.000 . 4.500 3.072 2.013 3.572 . 0 0 "[ . 1 . 2]" 1
648 1 46 LEU HA 1 49 GLU QB 0.000 . 3.800 2.073 1.950 2.305 . 0 0 "[ . 1 . 2]" 1
649 1 46 LEU QD 1 49 GLU QG 0.000 . 5.500 4.048 3.347 4.842 . 0 0 "[ . 1 . 2]" 1
650 1 47 ARG HA 1 48 ASP H 0.000 . 4.000 3.559 3.531 3.572 . 0 0 "[ . 1 . 2]" 1
651 1 47 ARG HA 1 50 MET H 0.000 . 4.500 3.660 3.534 3.741 . 0 0 "[ . 1 . 2]" 1
652 1 47 ARG HA 1 50 MET HB3 0.000 . 4.500 3.654 3.351 4.019 . 0 0 "[ . 1 . 2]" 1
653 1 47 ARG HA 1 50 MET HB2 0.000 . 4.500 3.970 3.533 4.428 . 0 0 "[ . 1 . 2]" 1
654 1 47 ARG QB 1 51 ARG QD 0.000 . 6.000 3.758 3.137 5.629 . 0 0 "[ . 1 . 2]" 1
655 1 47 ARG QG 1 51 ARG QD 0.000 . 5.000 3.911 2.727 5.002 0.002 19 0 "[ . 1 . 2]" 1
656 1 47 ARG QD 1 51 ARG QD 0.000 . 6.000 5.189 4.327 5.724 . 0 0 "[ . 1 . 2]" 1
657 1 48 ASP H 1 49 GLU H 0.000 . 3.500 2.482 2.446 2.535 . 0 0 "[ . 1 . 2]" 1
658 1 48 ASP H 1 50 MET H 0.000 . 4.500 4.175 4.135 4.221 . 0 0 "[ . 1 . 2]" 1
659 1 48 ASP H 1 48 ASP QB 0.000 . 3.000 2.190 2.119 2.223 . 0 0 "[ . 1 . 2]" 1
660 1 48 ASP HA 1 49 GLU H 0.000 . 3.000 3.193 3.190 3.204 0.204 5 0 "[ . 1 . 2]" 1
661 1 48 ASP QB 1 50 MET H 0.000 . 5.000 5.019 5.008 5.055 0.055 20 0 "[ . 1 . 2]" 1
662 1 48 ASP QB 1 49 GLU H 0.000 . 3.500 3.400 3.381 3.409 . 0 0 "[ . 1 . 2]" 1
663 1 48 ASP HA 1 50 MET H 0.000 . 5.500 4.131 4.089 4.252 . 0 0 "[ . 1 . 2]" 1
664 1 48 ASP HA 1 51 ARG H 0.000 . 4.500 3.592 3.466 3.763 . 0 0 "[ . 1 . 2]" 1
665 1 48 ASP HA 1 51 ARG HB3 0.000 . 4.500 4.188 4.044 4.389 . 0 0 "[ . 1 . 2]" 1
666 1 48 ASP HA 1 51 ARG HB2 0.000 . 4.500 2.792 2.615 2.986 . 0 0 "[ . 1 . 2]" 1
667 1 48 ASP HA 1 51 ARG HD3 0.000 . 5.000 3.850 3.606 5.020 0.020 20 0 "[ . 1 . 2]" 1
668 1 48 ASP HA 1 51 ARG HD2 0.000 . 5.000 4.798 4.416 5.006 0.006 19 0 "[ . 1 . 2]" 1
669 1 48 ASP HA 1 51 ARG QD 0.000 . 4.500 3.676 3.506 4.166 . 0 0 "[ . 1 . 2]" 1
670 1 49 GLU H 1 50 MET H 0.000 . 4.300 2.071 2.056 2.086 . 0 0 "[ . 1 . 2]" 1
671 1 49 GLU H 1 49 GLU HA 0.000 . 3.000 2.930 2.929 2.932 . 0 0 "[ . 1 . 2]" 1
672 1 49 GLU HA 1 50 MET H 0.000 . 4.500 3.479 3.473 3.494 . 0 0 "[ . 1 . 2]" 1
673 1 49 GLU HA 1 51 ARG H 0.000 . 5.000 4.599 4.297 4.905 . 0 0 "[ . 1 . 2]" 1
674 1 49 GLU QB 1 50 MET H 0.000 . 3.000 2.814 2.664 2.912 . 0 0 "[ . 1 . 2]" 1
675 1 49 GLU HA 1 52 ALA MB 0.000 . 4.000 3.172 2.816 3.958 . 0 0 "[ . 1 . 2]" 1
676 1 49 GLU HA 1 52 ALA H 0.000 . 4.500 3.827 3.527 4.007 . 0 0 "[ . 1 . 2]" 1
677 1 49 GLU QG 1 53 LEU HG 0.000 . 5.500 4.004 3.031 5.504 0.004 16 0 "[ . 1 . 2]" 1
678 1 50 MET H 1 51 ARG H 0.000 . 4.000 2.390 2.298 2.470 . 0 0 "[ . 1 . 2]" 1
679 1 50 MET H 1 50 MET QG 0.000 . 4.000 3.973 3.844 4.030 0.030 20 0 "[ . 1 . 2]" 1
680 1 50 MET QB 1 51 ARG H 0.000 . 3.000 2.577 2.407 2.745 . 0 0 "[ . 1 . 2]" 1
681 1 50 MET HA 1 51 ARG H 0.000 . 4.000 3.530 3.499 3.556 . 0 0 "[ . 1 . 2]" 1
682 1 50 MET HA 1 52 ALA H 0.000 . 5.500 4.087 3.916 4.532 . 0 0 "[ . 1 . 2]" 1
683 1 50 MET HA 1 53 LEU H 0.000 . 4.500 3.493 3.091 3.695 . 0 0 "[ . 1 . 2]" 1
684 1 50 MET HA 1 53 LEU QB 0.000 . 4.000 2.920 1.943 4.003 0.003 8 0 "[ . 1 . 2]" 1
685 1 50 MET HA 1 54 ALA H 0.000 . 5.000 3.712 3.445 4.171 . 0 0 "[ . 1 . 2]" 1
686 1 50 MET QG 1 59 ALA MB 0.000 . 5.000 4.849 3.884 5.006 0.006 19 0 "[ . 1 . 2]" 1
687 1 50 MET HA 1 53 LEU QD 0.000 . 4.000 2.967 1.932 4.000 . 0 0 "[ . 1 . 2]" 1
688 1 50 MET HA 1 53 LEU HG 0.000 . 4.500 3.917 2.024 4.522 0.022 19 0 "[ . 1 . 2]" 1
689 1 51 ARG H 1 52 ALA H 0.000 . 3.500 2.681 2.576 2.913 . 0 0 "[ . 1 . 2]" 1
690 1 51 ARG HA 1 54 ALA H 0.000 . 4.500 3.840 3.195 4.092 . 0 0 "[ . 1 . 2]" 1
691 1 51 ARG HA 1 52 ALA H 0.000 . 5.000 3.500 3.483 3.560 . 0 0 "[ . 1 . 2]" 1
692 1 51 ARG HA 1 54 ALA MB 0.000 . 4.000 2.828 1.934 3.370 . 0 0 "[ . 1 . 2]" 1
693 1 51 ARG QD 1 54 ALA MB 0.000 . 4.500 4.503 4.494 4.535 0.035 20 0 "[ . 1 . 2]" 1
694 1 51 ARG QG 1 59 ALA MB 0.000 . 4.500 3.647 3.010 4.500 0.000 19 0 "[ . 1 . 2]" 1
695 1 51 ARG HA 1 59 ALA MB 0.000 . 4.000 3.747 3.330 4.011 0.011 20 0 "[ . 1 . 2]" 1
696 1 51 ARG QD 1 57 PRO QB 0.000 . 5.000 4.800 2.788 5.014 0.014 15 0 "[ . 1 . 2]" 1
697 1 51 ARG HB3 1 57 PRO HA 0.000 . 5.000 2.706 1.967 3.536 . 0 0 "[ . 1 . 2]" 1
698 1 51 ARG HB2 1 57 PRO HA 0.000 . 5.000 4.051 3.506 4.830 . 0 0 "[ . 1 . 2]" 1
699 1 51 ARG QB 1 57 PRO HA 0.000 . 4.500 2.663 1.957 3.438 . 0 0 "[ . 1 . 2]" 1
700 1 51 ARG QG 1 57 PRO HA 0.000 . 4.000 2.025 1.841 3.766 . 0 0 "[ . 1 . 2]" 1
701 1 51 ARG QD 1 57 PRO HA 0.000 . 5.000 3.894 1.976 4.145 . 0 0 "[ . 1 . 2]" 1
702 1 52 ALA H 1 54 ALA H 0.000 . 4.500 3.686 3.571 3.980 . 0 0 "[ . 1 . 2]" 1
703 1 52 ALA H 1 53 LEU H 0.000 . 4.000 2.571 2.342 2.800 . 0 0 "[ . 1 . 2]" 1
704 1 52 ALA H 1 52 ALA HA 0.000 . 3.000 2.878 2.782 2.913 . 0 0 "[ . 1 . 2]" 1
705 1 52 ALA MB 1 53 LEU H 0.000 . 3.000 2.372 2.087 2.750 . 0 0 "[ . 1 . 2]" 1
706 1 52 ALA MB 1 54 ALA H 0.000 . 6.000 4.233 4.122 4.412 . 0 0 "[ . 1 . 2]" 1
707 1 52 ALA HA 1 54 ALA H 0.000 . 5.000 4.150 3.952 4.258 . 0 0 "[ . 1 . 2]" 1
708 1 52 ALA HA 1 55 GLY H 0.000 . 4.500 3.546 3.264 3.808 . 0 0 "[ . 1 . 2]" 1
709 1 52 ALA HA 1 56 ASN H 0.000 . 5.000 3.973 3.222 4.808 . 0 0 "[ . 1 . 2]" 1
710 1 52 ALA MB 1 53 LEU HA 0.000 . 5.000 3.747 3.680 3.832 . 0 0 "[ . 1 . 2]" 1
711 1 53 LEU H 1 53 LEU HA 0.000 . 3.000 2.806 2.787 2.871 . 0 0 "[ . 1 . 2]" 1
712 1 53 LEU H 1 54 ALA H 0.000 . 3.800 2.638 2.414 2.700 . 0 0 "[ . 1 . 2]" 1
713 1 53 LEU H 1 55 GLY H 0.000 . 4.500 4.047 3.931 4.151 . 0 0 "[ . 1 . 2]" 1
714 1 53 LEU HA 1 54 ALA H 0.000 . 4.000 3.482 3.440 3.503 . 0 0 "[ . 1 . 2]" 1
715 1 53 LEU HB3 1 54 ALA H 0.000 . 4.000 3.692 2.776 4.001 0.001 20 0 "[ . 1 . 2]" 1
716 1 53 LEU HB2 1 54 ALA H 0.000 . 4.000 3.257 2.860 4.003 0.003 18 0 "[ . 1 . 2]" 1
717 1 53 LEU H 1 53 LEU HB3 0.000 . 4.000 3.242 2.437 3.603 . 0 0 "[ . 1 . 2]" 1
718 1 53 LEU H 1 53 LEU HB2 0.000 . 4.000 2.613 2.057 3.591 . 0 0 "[ . 1 . 2]" 1
719 1 53 LEU QB 1 55 GLY H 0.000 . 5.000 4.573 4.419 4.914 . 0 0 "[ . 1 . 2]" 1
720 1 53 LEU HA 1 55 GLY H 0.000 . 4.000 3.777 3.613 3.935 . 0 0 "[ . 1 . 2]" 1
721 1 53 LEU QD 1 65 VAL QG 0.000 . 5.500 3.537 2.659 4.333 . 0 0 "[ . 1 . 2]" 1
722 1 54 ALA H 1 55 GLY H 0.000 . 3.000 2.510 2.386 2.639 . 0 0 "[ . 1 . 2]" 1
723 1 54 ALA HA 1 55 GLY H 0.000 . 4.300 3.357 3.121 3.479 . 0 0 "[ . 1 . 2]" 1
724 1 54 ALA MB 1 55 GLY H 0.000 . 4.000 3.162 2.857 3.513 . 0 0 "[ . 1 . 2]" 1
725 1 54 ALA H 1 56 ASN H 0.000 . 4.500 4.173 3.824 4.484 . 0 0 "[ . 1 . 2]" 1
726 1 54 ALA H 1 54 ALA MB 0.000 . 3.000 2.243 2.174 2.321 . 0 0 "[ . 1 . 2]" 1
727 1 54 ALA HA 1 56 ASN H 0.000 . 5.000 5.006 4.945 5.018 0.018 18 0 "[ . 1 . 2]" 1
728 1 54 ALA MB 1 56 ASN H 0.000 . 4.000 3.244 3.065 3.632 . 0 0 "[ . 1 . 2]" 1
729 1 54 ALA MB 1 56 ASN HB3 0.000 . 5.000 4.251 3.252 5.006 0.006 20 0 "[ . 1 . 2]" 1
730 1 54 ALA MB 1 56 ASN HB2 0.000 . 5.000 4.518 4.350 4.641 . 0 0 "[ . 1 . 2]" 1
731 1 54 ALA MB 1 56 ASN QB 0.000 . 4.500 3.816 3.167 4.276 . 0 0 "[ . 1 . 2]" 1
732 1 54 ALA MB 1 59 ALA MB 0.000 . 5.000 2.974 2.731 3.169 . 0 0 "[ . 1 . 2]" 1
733 1 54 ALA MB 1 59 ALA H 0.000 . 6.000 4.734 4.463 4.887 . 0 0 "[ . 1 . 2]" 1
734 1 54 ALA HA 1 70 TYR QB 0.000 . 5.000 3.142 2.448 3.799 . 0 0 "[ . 1 . 2]" 1
735 1 54 ALA HA 1 59 ALA MB 0.000 . 6.000 5.395 4.966 5.612 . 0 0 "[ . 1 . 2]" 1
736 1 54 ALA HA 1 70 TYR HD1 0.000 . 5.000 3.179 2.573 4.318 . 0 0 "[ . 1 . 2]" 1
737 1 54 ALA HA 1 70 TYR HD2 0.000 . 5.000 4.491 3.889 4.914 . 0 0 "[ . 1 . 2]" 1
738 1 54 ALA HA 1 70 TYR HE1 0.000 . 5.000 3.850 3.270 5.005 0.005 9 0 "[ . 1 . 2]" 1
739 1 54 ALA HA 1 70 TYR HE2 0.000 . 5.000 5.003 4.982 5.009 0.009 14 0 "[ . 1 . 2]" 1
740 1 54 ALA MB 1 63 GLN QG 0.000 . 5.000 3.962 3.462 4.237 . 0 0 "[ . 1 . 2]" 1
741 1 55 GLY H 1 56 ASN H 0.000 . 3.000 2.787 2.703 2.954 . 0 0 "[ . 1 . 2]" 1
742 1 55 GLY QA 1 56 ASN H 0.000 . 4.500 2.657 2.631 2.675 . 0 0 "[ . 1 . 2]" 1
743 1 56 ASN H 1 57 PRO HA 0.000 . 5.000 4.355 4.335 4.366 . 0 0 "[ . 1 . 2]" 1
744 1 56 ASN H 1 57 PRO QB 0.000 . 5.000 5.057 5.044 5.082 0.082 4 0 "[ . 1 . 2]" 1
745 1 56 ASN HA 1 56 ASN HD22 0.000 . 5.000 4.828 4.530 4.998 . 0 0 "[ . 1 . 2]" 1
746 1 56 ASN H 1 56 ASN HB3 0.000 . 4.000 3.580 3.214 3.851 . 0 0 "[ . 1 . 2]" 1
747 1 56 ASN H 1 56 ASN HB2 0.000 . 4.000 3.817 3.525 4.009 0.009 20 0 "[ . 1 . 2]" 1
748 1 56 ASN HB3 1 59 ALA H 0.000 . 5.000 4.461 3.586 5.024 0.024 20 0 "[ . 1 . 2]" 1
749 1 56 ASN HB2 1 59 ALA H 0.000 . 5.000 3.988 3.286 5.022 0.022 15 0 "[ . 1 . 2]" 1
750 1 56 ASN HA 1 59 ALA H 0.000 . 5.000 4.958 4.896 5.011 0.011 20 0 "[ . 1 . 2]" 1
751 1 56 ASN HD21 1 59 ALA H 0.000 . 5.000 2.701 2.041 3.402 . 0 0 "[ . 1 . 2]" 1
752 1 56 ASN HD22 1 59 ALA H 0.000 . 5.000 3.725 2.710 4.279 . 0 0 "[ . 1 . 2]" 1
753 1 56 ASN HA 1 58 LYS H 0.000 . 4.500 3.632 3.594 3.682 . 0 0 "[ . 1 . 2]" 1
754 1 56 ASN HD21 1 59 ALA HA 0.000 . 5.000 3.567 2.447 4.266 . 0 0 "[ . 1 . 2]" 1
755 1 56 ASN HD22 1 59 ALA HA 0.000 . 5.000 4.000 2.893 4.773 . 0 0 "[ . 1 . 2]" 1
756 1 56 ASN H 1 59 ALA MB 0.000 . 5.000 4.720 4.575 4.893 . 0 0 "[ . 1 . 2]" 1
757 1 56 ASN HD21 1 60 THR H 0.000 . 6.000 5.242 4.704 5.512 . 0 0 "[ . 1 . 2]" 1
758 1 56 ASN HD22 1 60 THR H 0.000 . 6.000 5.570 5.260 6.003 0.003 14 0 "[ . 1 . 2]" 1
759 1 56 ASN HA 1 57 PRO HB3 0.000 . 5.000 5.084 5.074 5.090 0.090 15 0 "[ . 1 . 2]" 1
760 1 56 ASN HA 1 57 PRO HB2 0.000 . 5.000 5.186 5.176 5.192 0.192 4 0 "[ . 1 . 2]" 1
761 1 56 ASN H 1 57 PRO HD3 0.000 . 5.000 3.597 3.575 3.651 . 0 0 "[ . 1 . 2]" 1
762 1 56 ASN H 1 57 PRO HD2 0.000 . 5.000 4.905 4.893 4.935 . 0 0 "[ . 1 . 2]" 1
763 1 56 ASN HB3 1 59 ALA MB 0.000 . 5.000 3.961 2.630 4.857 . 0 0 "[ . 1 . 2]" 1
764 1 56 ASN HB2 1 59 ALA MB 0.000 . 5.000 3.877 3.405 4.562 . 0 0 "[ . 1 . 2]" 1
765 1 56 ASN HA 1 58 LYS QB 0.000 . 6.000 4.787 4.572 5.338 . 0 0 "[ . 1 . 2]" 1
766 1 57 PRO HA 1 58 LYS H 0.000 . 3.000 3.045 3.036 3.056 0.056 3 0 "[ . 1 . 2]" 1
767 1 57 PRO QB 1 59 ALA H 0.000 . 5.000 5.021 5.012 5.036 0.036 15 0 "[ . 1 . 2]" 1
768 1 57 PRO QD 1 59 ALA H 0.000 . 5.000 4.659 4.618 4.703 . 0 0 "[ . 1 . 2]" 1
769 1 57 PRO HA 1 59 ALA H 0.000 . 5.000 3.727 3.704 3.762 . 0 0 "[ . 1 . 2]" 1
770 1 57 PRO QD 1 59 ALA MB 0.000 . 6.000 5.320 5.193 5.450 . 0 0 "[ . 1 . 2]" 1
771 1 58 LYS H 1 59 ALA H 0.000 . 3.000 1.906 1.882 1.926 . 0 0 "[ . 1 . 2]" 1
772 1 58 LYS H 1 58 LYS QB 0.000 . 3.000 2.568 2.402 3.011 0.011 5 0 "[ . 1 . 2]" 1
773 1 58 LYS HA 1 59 ALA H 0.000 . 3.500 3.248 3.157 3.344 . 0 0 "[ . 1 . 2]" 1
774 1 58 LYS H 1 58 LYS QG 0.000 . 4.000 3.468 2.152 4.037 0.037 3 0 "[ . 1 . 2]" 1
775 1 58 LYS QB 1 59 ALA H 0.000 . 4.000 3.485 3.259 3.928 . 0 0 "[ . 1 . 2]" 1
776 1 58 LYS H 1 59 ALA HA 0.000 . 5.000 4.287 4.195 4.411 . 0 0 "[ . 1 . 2]" 1
777 1 58 LYS H 1 59 ALA MB 0.000 . 5.000 3.486 3.415 3.611 . 0 0 "[ . 1 . 2]" 1
778 1 59 ALA H 1 60 THR H 0.000 . 4.500 4.466 4.439 4.507 0.007 13 0 "[ . 1 . 2]" 1
779 1 59 ALA H 1 59 ALA MB 0.000 . 3.000 2.075 2.015 2.205 . 0 0 "[ . 1 . 2]" 1
780 1 59 ALA HA 1 60 THR H 0.000 . 3.000 2.765 2.675 2.811 . 0 0 "[ . 1 . 2]" 1
781 1 59 ALA MB 1 60 THR H 0.000 . 3.500 1.984 1.914 2.070 . 0 0 "[ . 1 . 2]" 1
782 1 59 ALA HA 1 63 GLN QG 0.000 . 5.000 4.963 4.757 5.018 0.018 9 0 "[ . 1 . 2]" 1
783 1 59 ALA HA 1 63 GLN HE21 0.000 . 5.000 4.215 3.591 5.014 0.014 4 0 "[ . 1 . 2]" 1
784 1 59 ALA HA 1 63 GLN HE22 0.000 . 5.000 4.082 3.491 4.771 . 0 0 "[ . 1 . 2]" 1
785 1 60 THR H 1 63 GLN HE21 0.000 . 4.500 2.645 1.984 4.013 . 0 0 "[ . 1 . 2]" 1
786 1 60 THR H 1 63 GLN HE22 0.000 . 4.500 3.476 2.813 4.075 . 0 0 "[ . 1 . 2]" 1
787 1 60 THR H 1 60 THR HB 0.000 . 4.000 3.814 3.697 3.926 . 0 0 "[ . 1 . 2]" 1
788 1 60 THR H 1 60 THR HG1 0.000 . 4.000 2.647 2.284 3.180 . 0 0 "[ . 1 . 2]" 1
789 1 60 THR HG1 1 63 GLN HE21 0.000 . 5.000 3.380 2.157 4.495 . 0 0 "[ . 1 . 2]" 1
790 1 60 THR HG1 1 63 GLN HE22 0.000 . 5.000 4.097 2.945 4.999 . 0 0 "[ . 1 . 2]" 1
791 1 60 THR HG1 1 61 PRO QD 0.000 . 4.000 2.756 2.163 3.155 . 0 0 "[ . 1 . 2]" 1
792 1 61 PRO HA 1 62 PRO HA 0.000 . 5.000 4.846 4.810 4.894 . 0 0 "[ . 1 . 2]" 1
793 1 61 PRO QB 1 63 GLN H 0.000 . 6.000 4.981 4.736 5.241 . 0 0 "[ . 1 . 2]" 1
794 1 61 PRO QB 1 62 PRO HA 0.000 . 5.000 3.860 3.808 3.913 . 0 0 "[ . 1 . 2]" 1
795 1 61 PRO QD 1 62 PRO QG 0.000 . 5.000 3.838 3.457 4.337 . 0 0 "[ . 1 . 2]" 1
796 1 62 PRO HA 1 63 GLN H 0.000 . 3.500 2.279 2.199 2.382 . 0 0 "[ . 1 . 2]" 1
797 1 62 PRO QB 1 63 GLN H 0.000 . 4.500 3.779 3.658 3.874 . 0 0 "[ . 1 . 2]" 1
798 1 62 PRO QG 1 74 TYR HA 0.000 . 5.000 4.948 4.623 5.021 0.021 15 0 "[ . 1 . 2]" 1
799 1 63 GLN HA 1 64 ILE H 0.000 . 3.000 2.155 2.139 2.232 . 0 0 "[ . 1 . 2]" 1
800 1 63 GLN HA 1 72 GLY H 0.000 . 5.000 4.987 4.725 5.024 0.024 4 0 "[ . 1 . 2]" 1
801 1 63 GLN HA 1 64 ILE MD 0.000 . 5.000 3.421 2.643 4.998 . 0 0 "[ . 1 . 2]" 1
802 1 63 GLN HE21 1 74 TYR H 0.000 . 5.000 4.558 3.844 5.011 0.011 4 0 "[ . 1 . 2]" 1
803 1 63 GLN HE22 1 74 TYR H 0.000 . 5.000 4.700 3.351 5.005 0.005 7 0 "[ . 1 . 2]" 1
804 1 63 GLN QE 1 73 ASP HB3 0.000 . 4.500 2.465 1.934 4.140 . 0 0 "[ . 1 . 2]" 1
805 1 63 GLN QE 1 73 ASP HB2 0.000 . 4.500 2.984 2.133 3.845 . 0 0 "[ . 1 . 2]" 1
806 1 63 GLN HE21 1 73 ASP HA 0.000 . 5.000 4.208 2.753 4.991 . 0 0 "[ . 1 . 2]" 1
807 1 63 GLN HE22 1 73 ASP HA 0.000 . 5.000 4.180 3.183 4.796 . 0 0 "[ . 1 . 2]" 1
808 1 63 GLN HE21 1 73 ASP HB3 0.000 . 5.000 3.282 2.453 4.582 . 0 0 "[ . 1 . 2]" 1
809 1 63 GLN HE21 1 73 ASP HB2 0.000 . 5.000 3.615 2.170 5.010 0.010 1 0 "[ . 1 . 2]" 1
810 1 63 GLN HE22 1 73 ASP HB3 0.000 . 5.000 2.645 1.945 4.769 . 0 0 "[ . 1 . 2]" 1
811 1 63 GLN HE22 1 73 ASP HB2 0.000 . 5.000 3.284 2.176 4.090 . 0 0 "[ . 1 . 2]" 1
812 1 63 GLN HG3 1 70 TYR QE 0.000 . 5.000 3.793 3.002 4.336 . 0 0 "[ . 1 . 2]" 1
813 1 63 GLN HG2 1 70 TYR QE 0.000 . 5.000 4.679 4.122 5.004 0.004 2 0 "[ . 1 . 2]" 1
814 1 63 GLN QG 1 70 TYR QE 0.000 . 4.000 3.608 2.933 4.003 0.003 15 0 "[ . 1 . 2]" 1
815 1 64 ILE H 1 64 ILE HB 0.000 . 4.000 2.625 2.600 2.658 . 0 0 "[ . 1 . 2]" 1
816 1 64 ILE H 1 64 ILE MG 0.000 . 4.000 3.797 3.785 3.828 . 0 0 "[ . 1 . 2]" 1
817 1 64 ILE H 1 64 ILE MD 0.000 . 3.500 2.253 1.911 3.507 0.007 2 0 "[ . 1 . 2]" 1
818 1 64 ILE HA 1 65 VAL H 0.000 . 3.000 2.197 2.137 2.332 . 0 0 "[ . 1 . 2]" 1
819 1 64 ILE QG 1 65 VAL H 0.000 . 4.500 4.183 4.045 4.328 . 0 0 "[ . 1 . 2]" 1
820 1 64 ILE MG 1 65 VAL H 0.000 . 3.000 2.280 1.903 2.766 . 0 0 "[ . 1 . 2]" 1
821 1 64 ILE H 1 72 GLY H 0.000 . 4.500 3.537 3.046 3.830 . 0 0 "[ . 1 . 2]" 1
822 1 64 ILE MD 1 72 GLY H 0.000 . 6.000 3.841 3.200 4.711 . 0 0 "[ . 1 . 2]" 1
823 1 64 ILE MD 1 77 PHE H 0.000 . 5.000 3.237 2.805 3.818 . 0 0 "[ . 1 . 2]" 1
824 1 64 ILE MD 1 77 PHE HB3 0.000 . 4.500 2.769 2.296 3.085 . 0 0 "[ . 1 . 2]" 1
825 1 64 ILE MD 1 77 PHE HB2 0.000 . 4.500 2.045 1.854 2.506 . 0 0 "[ . 1 . 2]" 1
826 1 64 ILE MD 1 77 PHE QB 0.000 . 4.000 1.988 1.815 2.399 . 0 0 "[ . 1 . 2]" 1
827 1 64 ILE HA 1 65 VAL QG 0.000 . 6.000 3.508 3.342 3.641 . 0 0 "[ . 1 . 2]" 1
828 1 64 ILE MG 1 71 CYS H 0.000 . 6.000 4.578 4.132 5.102 . 0 0 "[ . 1 . 2]" 1
829 1 64 ILE HB 1 71 CYS QB 0.000 . 4.000 2.595 2.044 3.284 . 0 0 "[ . 1 . 2]" 1
830 1 64 ILE MG 1 71 CYS HB3 0.000 . 4.000 2.650 1.965 3.999 . 0 0 "[ . 1 . 2]" 1
831 1 64 ILE MG 1 71 CYS HB2 0.000 . 4.000 3.287 2.755 4.001 0.001 16 0 "[ . 1 . 2]" 1
832 1 64 ILE MD 1 77 PHE QD 0.000 . 4.000 3.046 1.992 3.657 . 0 0 "[ . 1 . 2]" 1
833 1 64 ILE MD 1 89 PHE QE 0.000 . 5.000 2.843 2.066 3.393 . 0 0 "[ . 1 . 2]" 1
834 1 64 ILE MD 1 89 PHE HZ 0.000 . 5.000 2.459 1.973 3.140 . 0 0 "[ . 1 . 2]" 1
835 1 65 VAL H 1 65 VAL HB 0.000 . 4.000 2.766 2.612 2.950 . 0 0 "[ . 1 . 2]" 1
836 1 65 VAL HA 1 66 ASN H 0.000 . 3.000 2.192 2.181 2.202 . 0 0 "[ . 1 . 2]" 1
837 1 65 VAL HB 1 66 ASN H 0.000 . 4.000 4.023 4.010 4.036 0.036 7 0 "[ . 1 . 2]" 1
838 1 65 VAL MG1 1 66 ASN H 0.000 . 4.500 2.082 2.018 2.182 . 0 0 "[ . 1 . 2]" 1
839 1 65 VAL MG2 1 66 ASN H 0.000 . 4.500 3.933 3.842 4.005 . 0 0 "[ . 1 . 2]" 1
840 1 65 VAL QG 1 66 ASN H 0.000 . 4.000 2.075 2.011 2.172 . 0 0 "[ . 1 . 2]" 1
841 1 65 VAL QG 1 67 GLY H 0.000 . 6.000 3.111 2.224 4.056 . 0 0 "[ . 1 . 2]" 1
842 1 65 VAL HA 1 71 CYS H 0.000 . 4.500 2.254 2.006 2.594 . 0 0 "[ . 1 . 2]" 1
843 1 65 VAL QG 1 71 CYS H 0.000 . 5.000 2.902 2.653 3.277 . 0 0 "[ . 1 . 2]" 1
844 1 65 VAL MG1 1 70 TYR H 0.000 . 5.000 4.340 4.169 4.497 . 0 0 "[ . 1 . 2]" 1
845 1 65 VAL MG2 1 70 TYR H 0.000 . 5.000 4.975 4.767 5.015 0.015 19 0 "[ . 1 . 2]" 1
846 1 65 VAL QG 1 70 TYR HB3 0.000 . 5.000 5.022 5.004 5.035 0.035 7 0 "[ . 1 . 2]" 1
847 1 65 VAL QG 1 70 TYR HB2 0.000 . 5.000 4.417 4.208 4.613 . 0 0 "[ . 1 . 2]" 1
848 1 65 VAL QG 1 70 TYR QB 0.000 . 4.500 4.143 4.004 4.266 . 0 0 "[ . 1 . 2]" 1
849 1 65 VAL HA 1 72 GLY H 0.000 . 5.000 3.942 3.696 4.422 . 0 0 "[ . 1 . 2]" 1
850 1 65 VAL MG1 1 70 TYR HA 0.000 . 5.000 3.491 3.332 3.732 . 0 0 "[ . 1 . 2]" 1
851 1 65 VAL MG2 1 70 TYR HA 0.000 . 5.000 2.900 2.723 3.070 . 0 0 "[ . 1 . 2]" 1
852 1 65 VAL QG 1 70 TYR HA 0.000 . 4.500 2.761 2.660 2.856 . 0 0 "[ . 1 . 2]" 1
853 1 65 VAL QG 1 70 TYR QD 0.000 . 4.500 2.913 2.765 3.150 . 0 0 "[ . 1 . 2]" 1
854 1 65 VAL HA 1 70 TYR HA 0.000 . 4.000 3.553 3.268 3.808 . 0 0 "[ . 1 . 2]" 1
855 1 66 ASN H 1 66 ASN HB3 0.000 . 4.000 3.005 2.521 3.528 . 0 0 "[ . 1 . 2]" 1
856 1 66 ASN H 1 66 ASN HB2 0.000 . 4.000 2.485 2.252 2.835 . 0 0 "[ . 1 . 2]" 1
857 1 66 ASN H 1 67 GLY H 0.000 . 5.000 3.737 3.110 4.271 . 0 0 "[ . 1 . 2]" 1
858 1 66 ASN H 1 69 GLN H 0.000 . 4.500 3.103 2.650 3.378 . 0 0 "[ . 1 . 2]" 1
859 1 66 ASN H 1 71 CYS H 0.000 . 5.000 3.351 3.031 3.622 . 0 0 "[ . 1 . 2]" 1
860 1 66 ASN HA 1 67 GLY H 0.000 . 3.000 2.389 2.148 2.764 . 0 0 "[ . 1 . 2]" 1
861 1 66 ASN HB2 1 67 GLY H 0.000 . 5.000 4.628 4.499 4.676 . 0 0 "[ . 1 . 2]" 1
862 1 66 ASN HB3 1 67 GLY H 0.000 . 5.000 4.270 3.750 4.446 . 0 0 "[ . 1 . 2]" 1
863 1 66 ASN H 1 66 ASN HD21 0.000 . 6.000 4.427 3.932 5.172 . 0 0 "[ . 1 . 2]" 1
864 1 66 ASN H 1 66 ASN HD22 0.000 . 6.000 5.652 5.405 6.007 0.007 11 0 "[ . 1 . 2]" 1
865 1 66 ASN H 1 70 TYR HA 0.000 . 5.500 4.564 4.166 4.858 . 0 0 "[ . 1 . 2]" 1
866 1 66 ASN H 1 69 GLN QB 0.000 . 5.000 3.723 3.298 4.119 . 0 0 "[ . 1 . 2]" 1
867 1 66 ASN QD 1 90 LEU QD 0.000 . 5.000 4.791 4.064 5.003 0.003 17 0 "[ . 1 . 2]" 1
868 1 66 ASN QD 1 92 LEU QD 0.000 . 5.000 3.921 2.798 4.992 . 0 0 "[ . 1 . 2]" 1
869 1 67 GLY H 1 68 ASP H 0.000 . 4.500 3.676 2.649 4.086 . 0 0 "[ . 1 . 2]" 1
870 1 67 GLY H 1 67 GLY HA2 0.000 . 3.000 2.350 2.295 2.429 . 0 0 "[ . 1 . 2]" 1
871 1 67 GLY H 1 69 GLN H 0.000 . 5.000 4.259 3.798 4.593 . 0 0 "[ . 1 . 2]" 1
872 1 67 GLY HA3 1 69 GLN H 0.000 . 5.000 4.311 4.151 4.485 . 0 0 "[ . 1 . 2]" 1
873 1 67 GLY HA2 1 69 GLN H 0.000 . 5.000 4.981 4.735 5.030 0.030 18 0 "[ . 1 . 2]" 1
874 1 67 GLY QA 1 69 GLN H 0.000 . 4.500 4.064 3.952 4.184 . 0 0 "[ . 1 . 2]" 1
875 1 68 ASP H 1 69 GLN H 0.000 . 3.000 2.283 1.971 2.541 . 0 0 "[ . 1 . 2]" 1
876 1 68 ASP H 1 68 ASP QB 0.000 . 3.800 2.938 2.681 3.304 . 0 0 "[ . 1 . 2]" 1
877 1 68 ASP HA 1 69 GLN H 0.000 . 4.000 2.859 2.784 2.957 . 0 0 "[ . 1 . 2]" 1
878 1 68 ASP QB 1 69 GLN H 0.000 . 4.500 3.902 3.776 4.051 . 0 0 "[ . 1 . 2]" 1
879 1 68 ASP H 1 69 GLN QG 0.000 . 5.000 4.372 2.713 5.024 0.024 11 0 "[ . 1 . 2]" 1
880 1 68 ASP H 1 69 GLN HA 0.000 . 6.000 4.599 4.374 5.189 . 0 0 "[ . 1 . 2]" 1
881 1 69 GLN H 1 70 TYR H 0.000 . 4.500 4.417 4.382 4.460 . 0 0 "[ . 1 . 2]" 1
882 1 69 GLN H 1 71 CYS H 0.000 . 5.000 5.034 5.018 5.063 0.063 18 0 "[ . 1 . 2]" 1
883 1 69 GLN HA 1 70 TYR H 0.000 . 3.000 2.368 2.270 2.422 . 0 0 "[ . 1 . 2]" 1
884 1 69 GLN HB3 1 70 TYR H 0.000 . 4.000 2.820 2.644 3.576 . 0 0 "[ . 1 . 2]" 1
885 1 69 GLN HB2 1 70 TYR H 0.000 . 4.000 3.905 2.869 4.056 0.056 18 0 "[ . 1 . 2]" 1
886 1 69 GLN H 1 69 GLN HB3 0.000 . 3.500 3.512 3.418 3.565 0.065 11 0 "[ . 1 . 2]" 1
887 1 69 GLN H 1 69 GLN HB2 0.000 . 3.500 2.758 2.453 3.555 0.055 12 0 "[ . 1 . 2]" 1
888 1 69 GLN QG 1 70 TYR H 0.000 . 5.000 3.134 2.636 4.361 . 0 0 "[ . 1 . 2]" 1
889 1 69 GLN H 1 69 GLN QG 0.000 . 4.000 3.685 1.945 4.004 0.004 7 0 "[ . 1 . 2]" 1
890 1 70 TYR H 1 71 CYS H 0.000 . 5.000 4.240 4.159 4.302 . 0 0 "[ . 1 . 2]" 1
891 1 70 TYR H 1 70 TYR HB2 0.000 . 3.500 2.403 2.249 2.582 . 0 0 "[ . 1 . 2]" 1
892 1 70 TYR H 1 70 TYR HB3 0.000 . 3.500 2.757 2.554 2.940 . 0 0 "[ . 1 . 2]" 1
893 1 70 TYR HA 1 71 CYS H 0.000 . 4.000 2.182 2.148 2.220 . 0 0 "[ . 1 . 2]" 1
894 1 70 TYR HE1 1 72 GLY QA 0.000 . 6.000 5.168 3.980 6.007 0.007 14 0 "[ . 1 . 2]" 1
895 1 70 TYR HE2 1 72 GLY QA 0.000 . 6.000 4.627 4.028 5.268 . 0 0 "[ . 1 . 2]" 1
896 1 70 TYR QE 1 72 GLY QA 0.000 . 5.500 4.293 3.582 4.860 . 0 0 "[ . 1 . 2]" 1
897 1 70 TYR QE 1 72 GLY H 0.000 . 5.500 4.640 3.619 5.422 . 0 0 "[ . 1 . 2]" 1
898 1 70 TYR QD 1 71 CYS H 0.000 . 5.500 3.510 3.095 3.808 . 0 0 "[ . 1 . 2]" 1
899 1 71 CYS H 1 72 GLY H 0.000 . 4.000 2.631 2.470 3.207 . 0 0 "[ . 1 . 2]" 1
900 1 71 CYS HA 1 72 GLY H 0.000 . 4.000 3.573 3.536 3.587 . 0 0 "[ . 1 . 2]" 1
901 1 71 CYS HB3 1 72 GLY H 0.000 . 4.000 2.349 2.115 2.636 . 0 0 "[ . 1 . 2]" 1
902 1 71 CYS HB2 1 72 GLY H 0.000 . 4.000 3.424 2.327 3.753 . 0 0 "[ . 1 . 2]" 1
903 1 71 CYS QB 1 72 GLY H 0.000 . 3.000 2.306 1.973 2.585 . 0 0 "[ . 1 . 2]" 1
904 1 72 GLY H 1 73 ASP H 0.000 . 4.500 4.273 4.134 4.385 . 0 0 "[ . 1 . 2]" 1
905 1 72 GLY HA3 1 73 ASP H 0.000 . 4.000 2.279 2.167 2.511 . 0 0 "[ . 1 . 2]" 1
906 1 72 GLY HA2 1 73 ASP H 0.000 . 4.000 2.888 2.588 3.079 . 0 0 "[ . 1 . 2]" 1
907 1 72 GLY QA 1 76 LEU H 0.000 . 5.000 4.739 4.035 5.009 0.009 17 0 "[ . 1 . 2]" 1
908 1 72 GLY HA3 1 76 LEU QD 0.000 . 5.000 2.469 1.870 2.849 . 0 0 "[ . 1 . 2]" 1
909 1 72 GLY HA2 1 76 LEU QD 0.000 . 5.000 2.314 1.958 3.161 . 0 0 "[ . 1 . 2]" 1
910 1 72 GLY QA 1 76 LEU QB 0.000 . 5.000 2.776 1.992 3.067 . 0 0 "[ . 1 . 2]" 1
911 1 72 GLY QA 1 76 LEU HG 0.000 . 5.000 4.305 1.872 4.685 . 0 0 "[ . 1 . 2]" 1
912 1 72 GLY H 1 76 LEU MD1 0.000 . 5.000 4.672 3.946 5.039 0.039 18 0 "[ . 1 . 2]" 1
913 1 72 GLY H 1 76 LEU MD2 0.000 . 5.000 4.889 4.574 5.023 0.023 18 0 "[ . 1 . 2]" 1
914 1 72 GLY QA 1 89 PHE QE 0.000 . 4.000 1.949 1.909 2.003 . 0 0 "[ . 1 . 2]" 1
915 1 72 GLY QA 1 89 PHE HZ 0.000 . 4.000 2.403 1.969 3.353 . 0 0 "[ . 1 . 2]" 1
916 1 73 ASP H 1 74 TYR H 0.000 . 5.000 4.306 4.283 4.377 . 0 0 "[ . 1 . 2]" 1
917 1 73 ASP HA 1 74 TYR H 0.000 . 4.000 2.773 2.672 2.819 . 0 0 "[ . 1 . 2]" 1
918 1 73 ASP HB3 1 74 TYR H 0.000 . 4.500 2.962 2.016 3.523 . 0 0 "[ . 1 . 2]" 1
919 1 73 ASP HB2 1 74 TYR H 0.000 . 4.500 2.331 1.896 3.599 . 0 0 "[ . 1 . 2]" 1
920 1 73 ASP QB 1 74 TYR H 0.000 . 4.000 1.991 1.887 2.340 . 0 0 "[ . 1 . 2]" 1
921 1 73 ASP HA 1 75 GLU H 0.000 . 5.000 4.929 4.679 5.004 0.004 10 0 "[ . 1 . 2]" 1
922 1 73 ASP H 1 76 LEU H 0.000 . 4.500 3.287 2.697 3.488 . 0 0 "[ . 1 . 2]" 1
923 1 73 ASP H 1 76 LEU MD1 0.000 . 5.000 2.085 1.830 4.582 . 0 0 "[ . 1 . 2]" 1
924 1 73 ASP H 1 76 LEU MD2 0.000 . 5.000 3.356 3.086 3.654 . 0 0 "[ . 1 . 2]" 1
925 1 73 ASP H 1 76 LEU QB 0.000 . 4.500 2.058 1.887 2.169 . 0 0 "[ . 1 . 2]" 1
926 1 73 ASP H 1 76 LEU HA 0.000 . 5.000 4.875 4.456 5.006 0.006 17 0 "[ . 1 . 2]" 1
927 1 74 TYR H 1 75 GLU H 0.000 . 4.500 2.806 2.593 2.936 . 0 0 "[ . 1 . 2]" 1
928 1 74 TYR HA 1 75 GLU H 0.000 . 4.500 3.564 3.543 3.573 . 0 0 "[ . 1 . 2]" 1
929 1 74 TYR HA 1 76 LEU H 0.000 . 5.000 4.793 4.325 5.004 0.004 19 0 "[ . 1 . 2]" 1
930 1 74 TYR HA 1 77 PHE H 0.000 . 4.500 4.092 3.794 4.243 . 0 0 "[ . 1 . 2]" 1
931 1 74 TYR HA 1 78 VAL H 0.000 . 5.000 3.711 3.490 3.885 . 0 0 "[ . 1 . 2]" 1
932 1 74 TYR HA 1 77 PHE HB3 0.000 . 4.500 3.006 2.752 3.388 . 0 0 "[ . 1 . 2]" 1
933 1 74 TYR HA 1 77 PHE HB2 0.000 . 4.500 4.307 4.055 4.503 0.003 1 0 "[ . 1 . 2]" 1
934 1 74 TYR QB 1 75 GLU H 0.000 . 4.000 2.403 2.309 2.585 . 0 0 "[ . 1 . 2]" 1
935 1 74 TYR HA 1 78 VAL MG1 0.000 . 6.000 5.643 5.431 5.848 . 0 0 "[ . 1 . 2]" 1
936 1 74 TYR HA 1 78 VAL MG2 0.000 . 6.000 3.089 2.877 3.298 . 0 0 "[ . 1 . 2]" 1
937 1 74 TYR QD 1 75 GLU HG3 0.000 . 5.000 4.534 4.241 4.728 . 0 0 "[ . 1 . 2]" 1
938 1 74 TYR QD 1 75 GLU HG2 0.000 . 5.000 4.037 3.804 4.325 . 0 0 "[ . 1 . 2]" 1
939 1 74 TYR QD 1 75 GLU QG 0.000 . 4.000 3.773 3.547 4.001 0.001 6 0 "[ . 1 . 2]" 1
940 1 74 TYR QE 1 75 GLU QG 0.000 . 5.000 4.698 4.210 4.999 . 0 0 "[ . 1 . 2]" 1
941 1 74 TYR QE 1 78 VAL QG 0.000 . 5.000 2.620 2.478 2.825 . 0 0 "[ . 1 . 2]" 1
942 1 75 GLU H 1 76 LEU H 0.000 . 5.000 2.930 2.738 3.081 . 0 0 "[ . 1 . 2]" 1
943 1 75 GLU H 1 75 GLU HB3 0.000 . 3.000 3.057 3.054 3.062 0.062 3 0 "[ . 1 . 2]" 1
944 1 75 GLU H 1 75 GLU HB2 0.000 . 3.000 2.050 2.047 2.056 . 0 0 "[ . 1 . 2]" 1
945 1 75 GLU H 1 75 GLU HA 0.000 . 3.000 2.757 2.731 2.806 . 0 0 "[ . 1 . 2]" 1
946 1 75 GLU QB 1 76 LEU H 0.000 . 4.000 2.317 2.114 2.702 . 0 0 "[ . 1 . 2]" 1
947 1 75 GLU HA 1 76 LEU H 0.000 . 4.500 3.566 3.533 3.577 . 0 0 "[ . 1 . 2]" 1
948 1 75 GLU HA 1 78 VAL H 0.000 . 4.500 4.044 3.956 4.136 . 0 0 "[ . 1 . 2]" 1
949 1 75 GLU HA 1 79 GLU H 0.000 . 5.000 3.926 3.765 4.207 . 0 0 "[ . 1 . 2]" 1
950 1 75 GLU HA 1 78 VAL HB 0.000 . 4.000 3.086 2.987 3.178 . 0 0 "[ . 1 . 2]" 1
951 1 75 GLU H 1 75 GLU HG3 0.000 . 4.000 4.024 4.022 4.027 0.027 18 0 "[ . 1 . 2]" 1
952 1 75 GLU H 1 75 GLU HG2 0.000 . 4.000 4.025 4.021 4.031 0.031 10 0 "[ . 1 . 2]" 1
953 1 75 GLU HA 1 78 VAL MG1 0.000 . 5.000 4.368 4.255 4.485 . 0 0 "[ . 1 . 2]" 1
954 1 75 GLU HA 1 78 VAL MG2 0.000 . 5.000 3.601 3.380 3.730 . 0 0 "[ . 1 . 2]" 1
955 1 75 GLU HA 1 78 VAL QG 0.000 . 4.000 3.438 3.270 3.545 . 0 0 "[ . 1 . 2]" 1
956 1 75 GLU H 1 78 VAL QG 0.000 . 5.000 4.295 4.169 4.507 . 0 0 "[ . 1 . 2]" 1
957 1 75 GLU QG 1 78 VAL HB 0.000 . 4.500 4.467 4.366 4.517 0.017 9 0 "[ . 1 . 2]" 1
958 1 75 GLU QG 1 78 VAL QG 0.000 . 5.000 4.447 4.289 4.513 . 0 0 "[ . 1 . 2]" 1
959 1 76 LEU H 1 77 PHE H 0.000 . 3.500 3.005 2.741 3.106 . 0 0 "[ . 1 . 2]" 1
960 1 76 LEU H 1 78 VAL H 0.000 . 5.000 4.390 4.083 4.530 . 0 0 "[ . 1 . 2]" 1
961 1 76 LEU HA 1 77 PHE H 0.000 . 4.500 3.567 3.557 3.576 . 0 0 "[ . 1 . 2]" 1
962 1 76 LEU HA 1 79 GLU H 0.000 . 4.000 3.488 3.370 3.654 . 0 0 "[ . 1 . 2]" 1
963 1 76 LEU H 1 76 LEU MD1 0.000 . 4.000 2.215 1.851 4.104 0.104 18 0 "[ . 1 . 2]" 1
964 1 76 LEU H 1 76 LEU MD2 0.000 . 4.000 3.942 3.497 4.095 0.095 8 0 "[ . 1 . 2]" 1
965 1 76 LEU HA 1 79 GLU QB 0.000 . 4.500 2.422 2.290 2.581 . 0 0 "[ . 1 . 2]" 1
966 1 76 LEU QD 1 77 PHE HB3 0.000 . 5.000 4.960 4.346 5.033 0.033 15 0 "[ . 1 . 2]" 1
967 1 76 LEU QD 1 77 PHE HB2 0.000 . 5.000 4.742 3.550 4.998 . 0 0 "[ . 1 . 2]" 1
968 1 76 LEU QD 1 80 ALA MB 0.000 . 5.000 4.687 2.765 5.016 0.016 1 0 "[ . 1 . 2]" 1
969 1 76 LEU H 1 78 VAL QG 0.000 . 6.000 4.998 4.731 5.103 . 0 0 "[ . 1 . 2]" 1
970 1 76 LEU HB3 1 89 PHE QE 0.000 . 5.000 3.062 2.697 3.755 . 0 0 "[ . 1 . 2]" 1
971 1 76 LEU HB2 1 89 PHE QE 0.000 . 5.000 3.333 2.797 4.910 . 0 0 "[ . 1 . 2]" 1
972 1 76 LEU QD 1 89 PHE QE 0.000 . 5.000 2.553 1.892 3.203 . 0 0 "[ . 1 . 2]" 1
973 1 76 LEU HA 1 89 PHE QE 0.000 . 6.000 5.416 5.076 6.016 0.016 8 0 "[ . 1 . 2]" 1
974 1 77 PHE H 1 78 VAL H 0.000 . 5.000 2.995 2.886 3.051 . 0 0 "[ . 1 . 2]" 1
975 1 77 PHE H 1 77 PHE QB 0.000 . 3.000 2.247 2.239 2.257 . 0 0 "[ . 1 . 2]" 1
976 1 77 PHE QB 1 78 VAL H 0.000 . 4.500 2.360 2.235 2.445 . 0 0 "[ . 1 . 2]" 1
977 1 77 PHE HA 1 78 VAL H 0.000 . 4.500 3.568 3.554 3.572 . 0 0 "[ . 1 . 2]" 1
978 1 77 PHE HA 1 80 ALA H 0.000 . 5.000 3.715 3.656 3.768 . 0 0 "[ . 1 . 2]" 1
979 1 77 PHE HA 1 80 ALA MB 0.000 . 4.500 2.919 2.800 3.114 . 0 0 "[ . 1 . 2]" 1
980 1 77 PHE QD 1 78 VAL QG 0.000 . 5.000 2.141 1.952 2.581 . 0 0 "[ . 1 . 2]" 1
981 1 77 PHE QD 1 90 LEU QD 0.000 . 5.000 3.443 2.784 4.241 . 0 0 "[ . 1 . 2]" 1
982 1 77 PHE HA 1 89 PHE HD1 0.000 . 5.000 4.440 4.225 4.615 . 0 0 "[ . 1 . 2]" 1
983 1 77 PHE HA 1 89 PHE HD2 0.000 . 5.000 4.489 4.142 4.699 . 0 0 "[ . 1 . 2]" 1
984 1 77 PHE HA 1 89 PHE QD 0.000 . 4.000 3.973 3.810 4.025 0.025 1 0 "[ . 1 . 2]" 1
985 1 77 PHE HA 1 89 PHE HE1 0.000 . 5.000 4.941 4.631 5.010 0.010 16 0 "[ . 1 . 2]" 1
986 1 77 PHE HA 1 89 PHE HE2 0.000 . 5.000 4.986 4.737 5.021 0.021 20 0 "[ . 1 . 2]" 1
987 1 77 PHE HA 1 89 PHE QE 0.000 . 4.500 4.419 4.270 4.465 . 0 0 "[ . 1 . 2]" 1
988 1 77 PHE QB 1 89 PHE QE 0.000 . 4.500 3.662 3.489 3.904 . 0 0 "[ . 1 . 2]" 1
989 1 78 VAL H 1 79 GLU H 0.000 . 3.000 2.619 2.578 2.672 . 0 0 "[ . 1 . 2]" 1
990 1 78 VAL H 1 80 ALA H 0.000 . 4.500 3.993 3.972 4.033 . 0 0 "[ . 1 . 2]" 1
991 1 78 VAL H 1 78 VAL HB 0.000 . 3.500 2.617 2.582 2.647 . 0 0 "[ . 1 . 2]" 1
992 1 78 VAL HA 1 81 VAL H 0.000 . 4.000 3.678 3.497 3.769 . 0 0 "[ . 1 . 2]" 1
993 1 78 VAL HA 1 82 GLU H 0.000 . 5.000 4.473 4.021 4.656 . 0 0 "[ . 1 . 2]" 1
994 1 78 VAL H 1 78 VAL MG1 0.000 . 4.000 3.768 3.764 3.771 . 0 0 "[ . 1 . 2]" 1
995 1 78 VAL H 1 78 VAL MG2 0.000 . 4.000 1.995 1.961 2.065 . 0 0 "[ . 1 . 2]" 1
996 1 78 VAL HA 1 79 GLU H 0.000 . 4.500 3.506 3.492 3.522 . 0 0 "[ . 1 . 2]" 1
997 1 78 VAL HB 1 79 GLU H 0.000 . 3.500 2.807 2.701 2.864 . 0 0 "[ . 1 . 2]" 1
998 1 78 VAL MG1 1 79 GLU H 0.000 . 4.500 3.740 3.689 3.772 . 0 0 "[ . 1 . 2]" 1
999 1 78 VAL MG2 1 79 GLU H 0.000 . 4.500 3.822 3.775 3.861 . 0 0 "[ . 1 . 2]" 1
1000 1 78 VAL HA 1 81 VAL HB 0.000 . 4.000 3.644 3.255 3.825 . 0 0 "[ . 1 . 2]" 1
1001 1 78 VAL QG 1 81 VAL HB 0.000 . 4.000 3.977 3.676 4.010 0.010 2 0 "[ . 1 . 2]" 1
1002 1 78 VAL QG 1 81 VAL H 0.000 . 5.000 4.542 4.392 4.627 . 0 0 "[ . 1 . 2]" 1
1003 1 78 VAL QG 1 79 GLU HA 0.000 . 5.000 3.705 3.655 3.738 . 0 0 "[ . 1 . 2]" 1
1004 1 79 GLU HA 1 80 ALA H 0.000 . 4.000 3.331 3.289 3.424 . 0 0 "[ . 1 . 2]" 1
1005 1 79 GLU QB 1 80 ALA H 0.000 . 4.000 3.309 3.063 3.393 . 0 0 "[ . 1 . 2]" 1
1006 1 79 GLU H 1 79 GLU HA 0.000 . 3.000 2.860 2.804 2.878 . 0 0 "[ . 1 . 2]" 1
1007 1 79 GLU H 1 79 GLU QG 0.000 . 4.000 3.984 3.966 4.010 0.010 11 0 "[ . 1 . 2]" 1
1008 1 79 GLU QG 1 80 ALA H 0.000 . 4.500 4.216 3.964 4.377 . 0 0 "[ . 1 . 2]" 1
1009 1 79 GLU HA 1 82 GLU H 0.000 . 4.500 3.971 3.854 4.080 . 0 0 "[ . 1 . 2]" 1
1010 1 79 GLU QG 1 83 GLN H 0.000 . 5.000 5.027 5.018 5.036 0.036 8 0 "[ . 1 . 2]" 1
1011 1 80 ALA H 1 81 VAL H 0.000 . 3.000 2.431 2.331 2.588 . 0 0 "[ . 1 . 2]" 1
1012 1 80 ALA H 1 82 GLU H 0.000 . 4.500 3.594 3.503 3.756 . 0 0 "[ . 1 . 2]" 1
1013 1 80 ALA HA 1 83 GLN H 0.000 . 4.500 3.653 3.606 3.720 . 0 0 "[ . 1 . 2]" 1
1014 1 80 ALA HA 1 85 THR H 0.000 . 5.000 3.314 3.237 3.402 . 0 0 "[ . 1 . 2]" 1
1015 1 80 ALA HA 1 83 GLN HB3 0.000 . 4.500 4.502 4.455 4.514 0.014 11 0 "[ . 1 . 2]" 1
1016 1 80 ALA HA 1 83 GLN HB2 0.000 . 4.500 4.511 4.506 4.517 0.017 17 0 "[ . 1 . 2]" 1
1017 1 80 ALA HA 1 81 VAL H 0.000 . 4.000 3.574 3.566 3.581 . 0 0 "[ . 1 . 2]" 1
1018 1 80 ALA MB 1 81 VAL H 0.000 . 4.000 2.256 2.139 2.377 . 0 0 "[ . 1 . 2]" 1
1019 1 80 ALA MB 1 89 PHE H 0.000 . 4.500 3.815 3.684 3.889 . 0 0 "[ . 1 . 2]" 1
1020 1 80 ALA MB 1 89 PHE HB3 0.000 . 4.000 3.218 2.945 3.753 . 0 0 "[ . 1 . 2]" 1
1021 1 80 ALA MB 1 89 PHE HB2 0.000 . 4.000 3.167 2.984 3.410 . 0 0 "[ . 1 . 2]" 1
1022 1 80 ALA MB 1 81 VAL QG 0.000 . 5.000 2.852 2.767 3.031 . 0 0 "[ . 1 . 2]" 1
1023 1 80 ALA MB 1 85 THR H 0.000 . 6.000 3.547 3.490 3.606 . 0 0 "[ . 1 . 2]" 1
1024 1 80 ALA MB 1 86 LEU HA 0.000 . 4.000 1.809 1.793 1.826 . 0 0 "[ . 1 . 2]" 1
1025 1 80 ALA MB 1 86 LEU QB 0.000 . 5.000 2.874 2.747 3.029 . 0 0 "[ . 1 . 2]" 1
1026 1 81 VAL H 1 82 GLU H 0.000 . 3.000 2.744 2.691 2.820 . 0 0 "[ . 1 . 2]" 1
1027 1 81 VAL HA 1 86 LEU H 0.000 . 5.000 2.664 2.532 2.766 . 0 0 "[ . 1 . 2]" 1
1028 1 81 VAL H 1 81 VAL HB 0.000 . 3.000 2.733 2.651 2.935 . 0 0 "[ . 1 . 2]" 1
1029 1 81 VAL QG 1 85 THR H 0.000 . 5.000 4.663 4.598 4.762 . 0 0 "[ . 1 . 2]" 1
1030 1 81 VAL H 1 81 VAL MG1 0.000 . 4.000 3.757 3.705 3.771 . 0 0 "[ . 1 . 2]" 1
1031 1 81 VAL H 1 81 VAL MG2 0.000 . 4.000 1.882 1.842 1.913 . 0 0 "[ . 1 . 2]" 1
1032 1 81 VAL MG1 1 82 GLU H 0.000 . 4.000 3.769 3.694 3.917 . 0 0 "[ . 1 . 2]" 1
1033 1 81 VAL MG2 1 82 GLU H 0.000 . 4.000 3.757 3.499 3.830 . 0 0 "[ . 1 . 2]" 1
1034 1 81 VAL HB 1 82 GLU H 0.000 . 3.000 2.799 2.671 2.877 . 0 0 "[ . 1 . 2]" 1
1035 1 81 VAL QG 1 86 LEU H 0.000 . 5.000 3.532 3.458 3.691 . 0 0 "[ . 1 . 2]" 1
1036 1 81 VAL QG 1 83 GLN H 0.000 . 5.000 4.765 4.717 4.832 . 0 0 "[ . 1 . 2]" 1
1037 1 81 VAL QG 1 86 LEU QB 0.000 . 4.500 1.900 1.821 2.277 . 0 0 "[ . 1 . 2]" 1
1038 1 81 VAL HA 1 86 LEU QB 0.000 . 4.500 1.987 1.889 2.117 . 0 0 "[ . 1 . 2]" 1
1039 1 81 VAL QG 1 86 LEU MD1 0.000 . 4.000 2.192 1.617 3.197 . 0 0 "[ . 1 . 2]" 1
1040 1 81 VAL QG 1 86 LEU MD2 0.000 . 4.000 1.978 1.752 3.238 . 0 0 "[ . 1 . 2]" 1
1041 1 81 VAL QG 1 86 LEU QD 0.000 . 3.500 1.680 1.574 1.863 . 0 0 "[ . 1 . 2]" 1
1042 1 81 VAL HA 1 85 THR H 0.000 . 6.000 3.724 3.632 3.832 . 0 0 "[ . 1 . 2]" 1
1043 1 81 VAL H 1 86 LEU QD 0.000 . 5.000 2.979 2.671 3.560 . 0 0 "[ . 1 . 2]" 1
1044 1 81 VAL QG 1 86 LEU HA 0.000 . 4.000 3.239 3.008 3.529 . 0 0 "[ . 1 . 2]" 1
1045 1 81 VAL HA 1 86 LEU QD 0.000 . 5.000 3.226 2.670 3.647 . 0 0 "[ . 1 . 2]" 1
1046 1 82 GLU HA 1 83 GLN H 0.000 . 4.000 3.563 3.558 3.570 . 0 0 "[ . 1 . 2]" 1
1047 1 82 GLU HA 1 84 ASN H 0.000 . 4.500 3.998 3.964 4.022 . 0 0 "[ . 1 . 2]" 1
1048 1 82 GLU H 1 86 LEU QD 0.000 . 5.000 5.011 4.997 5.052 0.052 9 0 "[ . 1 . 2]" 1
1049 1 82 GLU QG 1 86 LEU H 0.000 . 5.000 5.084 5.074 5.099 0.099 8 0 "[ . 1 . 2]" 1
1050 1 83 GLN H 1 84 ASN H 0.000 . 3.000 2.387 2.369 2.405 . 0 0 "[ . 1 . 2]" 1
1051 1 83 GLN H 1 85 THR H 0.000 . 4.500 3.073 3.028 3.125 . 0 0 "[ . 1 . 2]" 1
1052 1 83 GLN H 1 83 GLN HB3 0.000 . 3.000 3.002 2.987 3.012 0.012 16 0 "[ . 1 . 2]" 1
1053 1 83 GLN H 1 83 GLN HB2 0.000 . 3.000 2.374 2.366 2.386 . 0 0 "[ . 1 . 2]" 1
1054 1 83 GLN H 1 83 GLN QG 0.000 . 4.000 3.918 3.891 3.962 . 0 0 "[ . 1 . 2]" 1
1055 1 83 GLN HA 1 84 ASN H 0.000 . 3.500 3.175 3.159 3.197 . 0 0 "[ . 1 . 2]" 1
1056 1 83 GLN HB3 1 84 ASN H 0.000 . 5.000 3.798 3.759 3.821 . 0 0 "[ . 1 . 2]" 1
1057 1 83 GLN HB2 1 84 ASN H 0.000 . 5.000 4.124 4.106 4.134 . 0 0 "[ . 1 . 2]" 1
1058 1 83 GLN H 1 84 ASN HA 0.000 . 4.500 4.567 4.560 4.579 0.079 8 0 "[ . 1 . 2]" 1
1059 1 83 GLN HA 1 85 THR H 0.000 . 5.000 4.471 4.438 4.518 . 0 0 "[ . 1 . 2]" 1
1060 1 83 GLN HB3 1 85 THR H 0.000 . 5.000 3.209 3.129 3.244 . 0 0 "[ . 1 . 2]" 1
1061 1 83 GLN HB2 1 85 THR H 0.000 . 5.000 4.143 4.105 4.184 . 0 0 "[ . 1 . 2]" 1
1062 1 83 GLN QB 1 85 THR H 0.000 . 4.500 3.106 3.038 3.136 . 0 0 "[ . 1 . 2]" 1
1063 1 83 GLN QB 1 85 THR HG1 0.000 . 4.000 2.316 1.906 2.649 . 0 0 "[ . 1 . 2]" 1
1064 1 83 GLN QG 1 85 THR HG1 0.000 . 5.000 4.054 3.615 4.362 . 0 0 "[ . 1 . 2]" 1
1065 1 83 GLN HA 1 85 THR HG1 0.000 . 5.500 4.679 4.204 4.998 . 0 0 "[ . 1 . 2]" 1
1066 1 84 ASN H 1 85 THR H 0.000 . 3.000 2.400 2.395 2.406 . 0 0 "[ . 1 . 2]" 1
1067 1 84 ASN H 1 84 ASN HA 0.000 . 3.000 2.261 2.258 2.264 . 0 0 "[ . 1 . 2]" 1
1068 1 84 ASN HA 1 85 THR H 0.000 . 3.000 3.012 3.002 3.022 0.022 9 0 "[ . 1 . 2]" 1
1069 1 84 ASN HB3 1 85 THR H 0.000 . 5.000 4.124 3.974 4.532 . 0 0 "[ . 1 . 2]" 1
1070 1 84 ASN HB2 1 85 THR H 0.000 . 5.000 4.225 3.939 4.364 . 0 0 "[ . 1 . 2]" 1
1071 1 84 ASN H 1 85 THR HA 0.000 . 5.000 5.059 5.055 5.064 0.064 8 0 "[ . 1 . 2]" 1
1072 1 84 ASN H 1 85 THR HG1 0.000 . 5.000 4.121 3.580 4.598 . 0 0 "[ . 1 . 2]" 1
1073 1 84 ASN HA 1 87 GLN H 0.000 . 6.000 4.715 4.601 4.830 . 0 0 "[ . 1 . 2]" 1
1074 1 84 ASN QB 1 85 THR HG1 0.000 . 5.000 4.471 4.070 4.852 . 0 0 "[ . 1 . 2]" 1
1075 1 85 THR H 1 86 LEU H 0.000 . 3.000 2.326 2.294 2.359 . 0 0 "[ . 1 . 2]" 1
1076 1 85 THR HA 1 86 LEU H 0.000 . 4.000 3.411 3.392 3.426 . 0 0 "[ . 1 . 2]" 1
1077 1 85 THR H 1 85 THR HG1 0.000 . 4.000 2.491 1.962 2.957 . 0 0 "[ . 1 . 2]" 1
1078 1 85 THR H 1 86 LEU QD 0.000 . 6.000 5.200 5.107 5.315 . 0 0 "[ . 1 . 2]" 1
1079 1 85 THR HG1 1 86 LEU H 0.000 . 4.500 3.777 3.484 3.970 . 0 0 "[ . 1 . 2]" 1
1080 1 85 THR H 1 86 LEU HA 0.000 . 6.000 4.759 4.713 4.793 . 0 0 "[ . 1 . 2]" 1
1081 1 85 THR H 1 86 LEU HB3 0.000 . 6.000 4.876 4.725 5.195 . 0 0 "[ . 1 . 2]" 1
1082 1 85 THR H 1 86 LEU HB2 0.000 . 6.000 4.435 4.243 4.542 . 0 0 "[ . 1 . 2]" 1
1083 1 85 THR H 1 86 LEU QB 0.000 . 5.000 4.106 4.056 4.146 . 0 0 "[ . 1 . 2]" 1
1084 1 85 THR HA 1 87 GLN H 0.000 . 4.500 3.756 3.604 3.895 . 0 0 "[ . 1 . 2]" 1
1085 1 85 THR HB 1 88 GLU HB3 0.000 . 5.000 4.339 3.533 5.003 0.003 18 0 "[ . 1 . 2]" 1
1086 1 85 THR HB 1 88 GLU HB2 0.000 . 5.000 3.987 3.135 4.972 . 0 0 "[ . 1 . 2]" 1
1087 1 85 THR HB 1 88 GLU QB 0.000 . 4.000 3.578 3.074 4.004 0.004 6 0 "[ . 1 . 2]" 1
1088 1 85 THR HG1 1 88 GLU QG 0.000 . 4.500 3.315 2.639 4.240 . 0 0 "[ . 1 . 2]" 1
1089 1 86 LEU H 1 87 GLN H 0.000 . 4.000 3.139 3.080 3.187 . 0 0 "[ . 1 . 2]" 1
1090 1 86 LEU H 1 88 GLU H 0.000 . 5.000 4.800 4.697 4.938 . 0 0 "[ . 1 . 2]" 1
1091 1 86 LEU H 1 86 LEU HB3 0.000 . 3.000 2.777 2.649 3.023 0.023 3 0 "[ . 1 . 2]" 1
1092 1 86 LEU H 1 86 LEU HB2 0.000 . 3.000 2.357 2.168 2.452 . 0 0 "[ . 1 . 2]" 1
1093 1 86 LEU H 1 86 LEU QD 0.000 . 4.500 3.572 3.420 3.730 . 0 0 "[ . 1 . 2]" 1
1094 1 86 LEU H 1 86 LEU HG 0.000 . 4.500 4.484 4.061 4.552 0.052 12 0 "[ . 1 . 2]" 1
1095 1 86 LEU HA 1 88 GLU H 0.000 . 5.000 4.752 4.537 5.002 0.002 19 0 "[ . 1 . 2]" 1
1096 1 86 LEU HA 1 89 PHE H 0.000 . 4.000 3.597 3.493 3.688 . 0 0 "[ . 1 . 2]" 1
1097 1 86 LEU HA 1 90 LEU H 0.000 . 5.000 4.302 4.159 4.453 . 0 0 "[ . 1 . 2]" 1
1098 1 86 LEU HA 1 87 GLN H 0.000 . 4.500 3.557 3.539 3.570 . 0 0 "[ . 1 . 2]" 1
1099 1 86 LEU HB3 1 87 GLN H 0.000 . 4.000 2.579 2.448 2.703 . 0 0 "[ . 1 . 2]" 1
1100 1 86 LEU HB2 1 87 GLN H 0.000 . 4.000 3.835 3.559 3.972 . 0 0 "[ . 1 . 2]" 1
1101 1 86 LEU QD 1 87 GLN H 0.000 . 4.500 3.597 3.082 3.932 . 0 0 "[ . 1 . 2]" 1
1102 1 86 LEU HA 1 89 PHE HB3 0.000 . 4.500 3.022 2.878 3.371 . 0 0 "[ . 1 . 2]" 1
1103 1 86 LEU HA 1 89 PHE HB2 0.000 . 4.500 3.931 3.402 4.237 . 0 0 "[ . 1 . 2]" 1
1104 1 86 LEU HA 1 89 PHE QB 0.000 . 4.000 2.916 2.812 3.064 . 0 0 "[ . 1 . 2]" 1
1105 1 86 LEU QD 1 89 PHE HB3 0.000 . 4.500 3.102 2.829 3.371 . 0 0 "[ . 1 . 2]" 1
1106 1 86 LEU QD 1 89 PHE HB2 0.000 . 4.500 4.343 3.849 4.513 0.013 17 0 "[ . 1 . 2]" 1
1107 1 86 LEU QD 1 90 LEU HG 0.000 . 4.000 2.541 1.954 3.499 . 0 0 "[ . 1 . 2]" 1
1108 1 86 LEU MD1 1 90 LEU QD 0.000 . 5.000 2.079 1.666 3.455 . 0 0 "[ . 1 . 2]" 1
1109 1 86 LEU MD2 1 90 LEU QD 0.000 . 5.000 2.580 1.551 3.645 . 0 0 "[ . 1 . 2]" 1
1110 1 86 LEU HG 1 90 LEU QD 0.000 . 5.000 2.793 1.883 3.680 . 0 0 "[ . 1 . 2]" 1
1111 1 87 GLN H 1 88 GLU H 0.000 . 3.000 2.894 2.843 2.967 . 0 0 "[ . 1 . 2]" 1
1112 1 87 GLN HA 1 90 LEU H 0.000 . 4.500 2.887 2.835 2.978 . 0 0 "[ . 1 . 2]" 1
1113 1 87 GLN HA 1 88 GLU H 0.000 . 4.500 3.565 3.561 3.568 . 0 0 "[ . 1 . 2]" 1
1114 1 87 GLN H 1 87 GLN QG 0.000 . 4.000 3.949 3.899 3.972 . 0 0 "[ . 1 . 2]" 1
1115 1 87 GLN QG 1 88 GLU H 0.000 . 4.000 2.954 2.554 3.151 . 0 0 "[ . 1 . 2]" 1
1116 1 87 GLN HA 1 90 LEU QD 0.000 . 5.000 3.829 3.325 4.343 . 0 0 "[ . 1 . 2]" 1
1117 1 87 GLN HG3 1 92 LEU QD 0.000 . 4.500 4.544 4.530 4.557 0.057 1 0 "[ . 1 . 2]" 1
1118 1 87 GLN HG2 1 92 LEU QD 0.000 . 4.500 4.546 4.534 4.557 0.057 3 0 "[ . 1 . 2]" 1
1119 1 87 GLN QG 1 92 LEU QB 0.000 . 5.000 4.784 4.558 4.973 . 0 0 "[ . 1 . 2]" 1
1120 1 87 GLN QG 1 93 ALA MB 0.000 . 5.500 3.804 2.361 5.361 . 0 0 "[ . 1 . 2]" 1
1121 1 88 GLU H 1 89 PHE H 0.000 . 3.000 2.828 2.785 2.867 . 0 0 "[ . 1 . 2]" 1
1122 1 88 GLU HB3 1 89 PHE H 0.000 . 4.000 3.290 2.925 3.747 . 0 0 "[ . 1 . 2]" 1
1123 1 88 GLU HB2 1 89 PHE H 0.000 . 4.000 3.516 3.046 3.994 . 0 0 "[ . 1 . 2]" 1
1124 1 88 GLU H 1 90 LEU H 0.000 . 5.500 4.090 4.051 4.175 . 0 0 "[ . 1 . 2]" 1
1125 1 88 GLU H 1 88 GLU QB 0.000 . 3.000 2.160 2.069 2.351 . 0 0 "[ . 1 . 2]" 1
1126 1 88 GLU HA 1 89 PHE H 0.000 . 4.500 3.461 3.449 3.475 . 0 0 "[ . 1 . 2]" 1
1127 1 88 GLU HA 1 92 LEU H 0.000 . 4.500 3.217 3.051 3.358 . 0 0 "[ . 1 . 2]" 1
1128 1 88 GLU H 1 92 LEU QD 0.000 . 5.000 4.669 4.454 4.825 . 0 0 "[ . 1 . 2]" 1
1129 1 88 GLU HA 1 92 LEU QD 0.000 . 5.000 3.174 2.911 3.296 . 0 0 "[ . 1 . 2]" 1
1130 1 89 PHE H 1 90 LEU H 0.000 . 4.000 2.139 2.119 2.184 . 0 0 "[ . 1 . 2]" 1
1131 1 89 PHE H 1 91 LYS H 0.000 . 5.000 4.370 4.184 4.563 . 0 0 "[ . 1 . 2]" 1
1132 1 89 PHE H 1 89 PHE HA 0.000 . 3.000 2.923 2.915 2.926 . 0 0 "[ . 1 . 2]" 1
1133 1 89 PHE HB2 1 90 LEU H 0.000 . 5.000 4.050 3.801 4.144 . 0 0 "[ . 1 . 2]" 1
1134 1 89 PHE HB3 1 90 LEU H 0.000 . 5.000 2.986 2.923 3.039 . 0 0 "[ . 1 . 2]" 1
1135 1 89 PHE HA 1 90 LEU H 0.000 . 5.000 3.469 3.454 3.482 . 0 0 "[ . 1 . 2]" 1
1136 1 89 PHE QD 1 90 LEU QD 0.000 . 4.000 2.871 1.990 3.590 . 0 0 "[ . 1 . 2]" 1
1137 1 89 PHE QE 1 90 LEU QD 0.000 . 4.000 3.781 3.215 4.012 0.012 16 0 "[ . 1 . 2]" 1
1138 1 89 PHE HA 1 92 LEU H 0.000 . 4.500 4.549 4.508 4.587 0.087 16 0 "[ . 1 . 2]" 1
1139 1 89 PHE HA 1 92 LEU QD 0.000 . 4.000 2.600 2.266 2.901 . 0 0 "[ . 1 . 2]" 1
1140 1 90 LEU H 1 91 LYS H 0.000 . 3.500 2.678 2.537 2.856 . 0 0 "[ . 1 . 2]" 1
1141 1 90 LEU H 1 90 LEU HA 0.000 . 3.000 2.923 2.900 2.930 . 0 0 "[ . 1 . 2]" 1
1142 1 90 LEU HA 1 91 LYS H 0.000 . 4.000 3.569 3.551 3.585 . 0 0 "[ . 1 . 2]" 1
1143 1 90 LEU MD1 1 91 LYS H 0.000 . 5.000 4.018 3.263 4.460 . 0 0 "[ . 1 . 2]" 1
1144 1 90 LEU MD2 1 91 LYS H 0.000 . 5.000 4.205 3.754 4.492 . 0 0 "[ . 1 . 2]" 1
1145 1 90 LEU HG 1 91 LYS H 0.000 . 6.000 4.597 4.374 4.808 . 0 0 "[ . 1 . 2]" 1
1146 1 90 LEU H 1 90 LEU QD 0.000 . 4.000 3.427 2.560 3.755 . 0 0 "[ . 1 . 2]" 1
1147 1 90 LEU HB3 1 92 LEU QD 0.000 . 4.500 4.372 4.163 4.518 0.018 5 0 "[ . 1 . 2]" 1
1148 1 90 LEU HB2 1 92 LEU QD 0.000 . 4.500 4.421 4.128 4.547 0.047 10 0 "[ . 1 . 2]" 1
1149 1 91 LYS H 1 91 LYS HA 0.000 . 3.000 2.912 2.884 2.927 . 0 0 "[ . 1 . 2]" 1
1150 1 91 LYS H 1 91 LYS QD 0.000 . 5.000 3.832 3.236 4.177 . 0 0 "[ . 1 . 2]" 1
1151 1 91 LYS HA 1 92 LEU H 0.000 . 3.500 3.350 3.291 3.449 . 0 0 "[ . 1 . 2]" 1
1152 1 91 LYS HA 1 93 ALA H 0.000 . 4.500 4.429 4.293 4.511 0.011 12 0 "[ . 1 . 2]" 1
1153 1 91 LYS QG 1 92 LEU H 0.000 . 4.000 3.960 3.670 4.017 0.017 5 0 "[ . 1 . 2]" 1
1154 1 91 LYS HA 1 91 LYS QD 0.000 . 5.000 3.351 2.258 4.282 . 0 0 "[ . 1 . 2]" 1
1155 1 91 LYS QD 1 93 ALA H 0.000 . 6.000 5.476 4.234 6.014 0.014 16 0 "[ . 1 . 2]" 1
1156 1 91 LYS H 1 91 LYS QG 0.000 . 3.500 2.069 1.949 2.262 . 0 0 "[ . 1 . 2]" 1
1157 1 92 LEU H 1 93 ALA H 0.000 . 4.000 3.328 2.758 4.015 0.015 3 0 "[ . 1 . 2]" 1
1158 1 92 LEU HA 1 93 ALA H 0.000 . 3.500 3.216 2.879 3.550 0.050 10 0 "[ . 1 . 2]" 1
1159 1 92 LEU H 1 92 LEU QD 0.000 . 4.500 1.895 1.842 1.964 . 0 0 "[ . 1 . 2]" 1
1160 1 92 LEU QB 1 93 ALA H 0.000 . 4.000 2.936 1.842 3.813 . 0 0 "[ . 1 . 2]" 1
1161 1 92 LEU QD 1 93 ALA H 0.000 . 4.000 3.546 2.987 3.947 . 0 0 "[ . 1 . 2]" 1
1162 1 93 ALA H 1 94 LEU H 0.000 . 3.000 2.547 1.973 3.005 0.005 1 0 "[ . 1 . 2]" 1
1163 1 93 ALA H 1 93 ALA HA 0.000 . 3.000 2.678 2.275 2.939 . 0 0 "[ . 1 . 2]" 1
1164 1 93 ALA HA 1 94 LEU H 0.000 . 4.000 3.165 2.454 3.572 . 0 0 "[ . 1 . 2]" 1
1165 1 93 ALA MB 1 94 LEU H 0.000 . 4.000 3.043 1.963 3.718 . 0 0 "[ . 1 . 2]" 1
1166 1 93 ALA MB 1 95 GLU H 0.000 . 4.500 3.841 2.459 4.504 0.004 3 0 "[ . 1 . 2]" 1
1167 1 94 LEU H 1 94 LEU HG 0.000 . 5.000 3.969 1.986 4.855 . 0 0 "[ . 1 . 2]" 1
1168 1 94 LEU QB 1 95 GLU H 0.000 . 5.000 3.474 1.945 4.030 . 0 0 "[ . 1 . 2]" 1
1169 1 94 LEU QD 1 95 GLU H 0.000 . 5.000 3.984 3.187 4.540 . 0 0 "[ . 1 . 2]" 1
1170 1 94 LEU H 1 95 GLU H 0.000 . 4.000 3.196 2.016 4.009 0.009 20 0 "[ . 1 . 2]" 1
1171 1 95 GLU H 1 95 GLU QG 0.000 . 4.000 3.298 2.038 4.007 0.007 4 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 44
_Distance_constraint_stats_list.Viol_count 109
_Distance_constraint_stats_list.Viol_total 24.004
_Distance_constraint_stats_list.Viol_max 0.033
_Distance_constraint_stats_list.Viol_rms 0.0047
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0110
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 LEU 0.007 0.004 1 0 "[ . 1 . 2]"
1 5 ARG 0.002 0.002 2 0 "[ . 1 . 2]"
1 6 VAL 0.013 0.007 17 0 "[ . 1 . 2]"
1 7 TYR 0.043 0.012 20 0 "[ . 1 . 2]"
1 8 SER 0.402 0.033 8 0 "[ . 1 . 2]"
1 23 GLU 0.012 0.004 5 0 "[ . 1 . 2]"
1 24 VAL 0.004 0.002 18 0 "[ . 1 . 2]"
1 25 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ILE 0.012 0.004 5 0 "[ . 1 . 2]"
1 28 LEU 0.004 0.002 18 0 "[ . 1 . 2]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLN 0.020 0.007 17 0 "[ . 1 . 2]"
1 38 VAL 0.399 0.033 8 0 "[ . 1 . 2]"
1 40 ILE 0.004 0.004 17 0 "[ . 1 . 2]"
1 63 GLN 0.043 0.012 20 0 "[ . 1 . 2]"
1 64 ILE 0.052 0.020 18 0 "[ . 1 . 2]"
1 65 VAL 0.002 0.002 2 0 "[ . 1 . 2]"
1 66 ASN 0.086 0.014 19 0 "[ . 1 . 2]"
1 69 GLN 0.086 0.014 19 0 "[ . 1 . 2]"
1 71 CYS 0.040 0.020 18 0 "[ . 1 . 2]"
1 72 GLY 0.012 0.006 6 0 "[ . 1 . 2]"
1 73 ASP 0.005 0.003 7 0 "[ . 1 . 2]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 0.240 0.021 8 0 "[ . 1 . 2]"
1 77 PHE 0.333 0.030 20 0 "[ . 1 . 2]"
1 79 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ALA 0.240 0.021 8 0 "[ . 1 . 2]"
1 81 VAL 0.328 0.030 20 0 "[ . 1 . 2]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLN 0.006 0.006 20 0 "[ . 1 . 2]"
1 90 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LYS 0.006 0.006 20 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 5 ARG H 1 65 VAL O 2.000 . 2.700 1.960 1.674 2.263 . 0 0 "[ . 1 . 2]" 2
2 1 5 ARG N 1 65 VAL O 3.000 2.400 3.700 2.869 2.647 2.955 . 0 0 "[ . 1 . 2]" 2
3 1 6 VAL H 1 36 GLN O 2.000 . 2.700 2.513 1.970 2.707 0.007 17 0 "[ . 1 . 2]" 2
4 1 6 VAL N 1 36 GLN O 3.000 2.400 3.700 3.390 2.945 3.667 . 0 0 "[ . 1 . 2]" 2
5 1 7 TYR H 1 63 GLN O 2.000 . 2.700 1.855 1.646 2.148 . 0 0 "[ . 1 . 2]" 2
6 1 7 TYR N 1 63 GLN O 3.000 2.400 3.700 2.808 2.594 3.117 . 0 0 "[ . 1 . 2]" 2
7 1 8 SER H 1 38 VAL O 2.000 . 2.700 2.705 2.395 2.733 0.033 8 0 "[ . 1 . 2]" 2
8 1 8 SER N 1 38 VAL O 3.000 2.400 3.700 3.549 3.272 3.578 . 0 0 "[ . 1 . 2]" 2
9 1 23 GLU O 1 27 ILE H 1.800 . 2.400 2.232 1.876 2.403 0.003 12 0 "[ . 1 . 2]" 2
10 1 23 GLU O 1 27 ILE N 2.700 2.400 3.300 3.153 2.841 3.304 0.004 5 0 "[ . 1 . 2]" 2
11 1 24 VAL O 1 28 LEU H 1.800 . 2.400 2.166 1.948 2.402 0.002 18 0 "[ . 1 . 2]" 2
12 1 24 VAL O 1 28 LEU N 2.700 2.400 3.300 3.112 2.827 3.301 0.001 3 0 "[ . 1 . 2]" 2
13 1 25 THR O 1 29 ASP H 1.800 . 2.400 1.841 1.680 2.227 . 0 0 "[ . 1 . 2]" 2
14 1 25 THR O 1 29 ASP N 2.700 2.400 3.300 2.738 2.605 3.106 . 0 0 "[ . 1 . 2]" 2
15 1 4 LEU O 1 36 GLN H 2.000 . 2.700 2.050 1.662 2.704 0.004 1 0 "[ . 1 . 2]" 2
16 1 4 LEU O 1 36 GLN N 3.000 2.400 3.700 2.923 2.581 3.644 . 0 0 "[ . 1 . 2]" 2
17 1 6 VAL O 1 38 VAL H 2.000 . 2.700 2.066 1.736 2.206 . 0 0 "[ . 1 . 2]" 2
18 1 6 VAL O 1 38 VAL N 3.000 2.400 3.700 2.687 2.557 2.820 . 0 0 "[ . 1 . 2]" 2
19 1 8 SER O 1 40 ILE H 2.000 . 2.700 2.415 2.209 2.704 0.004 17 0 "[ . 1 . 2]" 2
20 1 8 SER O 1 40 ILE N 3.000 2.400 3.700 3.190 3.061 3.519 . 0 0 "[ . 1 . 2]" 2
21 1 7 TYR O 1 63 GLN H 2.000 . 2.700 2.574 2.133 2.712 0.012 20 0 "[ . 1 . 2]" 2
22 1 7 TYR O 1 63 GLN N 3.000 2.400 3.700 3.463 3.062 3.641 . 0 0 "[ . 1 . 2]" 2
23 1 64 ILE H 1 72 GLY O 2.000 . 2.700 2.455 1.806 2.706 0.006 6 0 "[ . 1 . 2]" 2
24 1 64 ILE N 1 72 GLY O 3.000 2.400 3.700 3.180 2.590 3.573 . 0 0 "[ . 1 . 2]" 2
25 1 5 ARG O 1 65 VAL H 2.000 . 2.700 2.216 1.678 2.702 0.002 2 0 "[ . 1 . 2]" 2
26 1 5 ARG O 1 65 VAL N 3.000 2.400 3.700 2.963 2.577 3.462 . 0 0 "[ . 1 . 2]" 2
27 1 66 ASN H 1 69 GLN O 2.000 . 2.700 2.564 2.132 2.679 . 0 0 "[ . 1 . 2]" 2
28 1 66 ASN N 1 69 GLN O 3.000 2.400 3.500 3.409 2.998 3.514 0.014 19 0 "[ . 1 . 2]" 2
29 1 64 ILE O 1 71 CYS H 2.000 . 2.700 2.504 1.958 2.720 0.020 18 0 "[ . 1 . 2]" 2
30 1 64 ILE O 1 71 CYS N 3.000 2.400 3.700 3.236 2.690 3.473 . 0 0 "[ . 1 . 2]" 2
31 1 64 ILE O 1 72 GLY H 2.000 . 2.700 2.252 1.952 2.626 . 0 0 "[ . 1 . 2]" 2
32 1 64 ILE O 1 72 GLY N 3.000 2.400 3.700 3.184 2.797 3.460 . 0 0 "[ . 1 . 2]" 2
33 1 73 ASP O 1 77 PHE H 1.800 . 2.400 2.129 1.833 2.387 . 0 0 "[ . 1 . 2]" 2
34 1 73 ASP O 1 77 PHE N 2.700 2.400 3.300 3.053 2.800 3.303 0.003 7 0 "[ . 1 . 2]" 2
35 1 75 GLU O 1 79 GLU H 1.800 . 2.400 1.807 1.708 2.131 . 0 0 "[ . 1 . 2]" 2
36 1 75 GLU O 1 79 GLU N 2.700 2.400 3.300 2.605 2.546 2.916 . 0 0 "[ . 1 . 2]" 2
37 1 76 LEU O 1 80 ALA H 1.800 . 2.400 2.412 2.402 2.421 0.021 8 0 "[ . 1 . 2]" 2
38 1 76 LEU O 1 80 ALA N 2.700 2.400 3.300 2.896 2.831 3.078 . 0 0 "[ . 1 . 2]" 2
39 1 77 PHE O 1 81 VAL H 1.800 . 2.400 2.361 2.338 2.385 . 0 0 "[ . 1 . 2]" 2
40 1 77 PHE O 1 81 VAL N 2.700 2.400 3.300 3.316 3.305 3.330 0.030 20 0 "[ . 1 . 2]" 2
41 1 86 LEU O 1 90 LEU H 1.800 . 2.400 1.890 1.785 2.061 . 0 0 "[ . 1 . 2]" 2
42 1 86 LEU O 1 90 LEU N 2.700 2.400 3.300 2.655 2.568 2.811 . 0 0 "[ . 1 . 2]" 2
43 1 87 GLN O 1 91 LYS H 1.800 . 2.400 2.198 2.029 2.406 0.006 20 0 "[ . 1 . 2]" 2
44 1 87 GLN O 1 91 LYS N 2.700 2.400 3.300 2.684 2.604 2.813 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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