NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
384746 |
1kmd   |
5366 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kmd
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 1066
_Distance_constraint_stats_list.Viol_count 595
_Distance_constraint_stats_list.Viol_total 240.663
_Distance_constraint_stats_list.Viol_max 0.169
_Distance_constraint_stats_list.Viol_rms 0.0054
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0202
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LYS 0.003 0.003 9 0 "[ . 1 . 2]"
1 2 MET 0.003 0.003 9 0 "[ . 1 . 2]"
1 3 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LEU 0.317 0.061 17 0 "[ . 1 . 2]"
1 7 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ILE 0.759 0.087 1 0 "[ . 1 . 2]"
1 9 LYS 0.266 0.023 8 0 "[ . 1 . 2]"
1 10 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASP 0.239 0.021 12 0 "[ . 1 . 2]"
1 13 VAL 0.144 0.062 13 0 "[ . 1 . 2]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ILE 1.868 0.129 20 0 "[ . 1 . 2]"
1 16 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 PRO 0.004 0.004 4 0 "[ . 1 . 2]"
1 18 LYS 0.004 0.004 4 0 "[ . 1 . 2]"
1 19 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 VAL 1.948 0.129 20 0 "[ . 1 . 2]"
1 21 LEU 0.022 0.011 15 0 "[ . 1 . 2]"
1 22 TYR 0.116 0.012 8 0 "[ . 1 . 2]"
1 23 GLY 0.137 0.021 12 0 "[ . 1 . 2]"
1 24 VAL 0.166 0.012 16 0 "[ . 1 . 2]"
1 25 SER 0.266 0.023 8 0 "[ . 1 . 2]"
1 26 THR 0.427 0.049 20 0 "[ . 1 . 2]"
1 27 PRO 0.321 0.017 8 0 "[ . 1 . 2]"
1 28 ASN 0.195 0.017 8 0 "[ . 1 . 2]"
1 29 LYS 0.529 0.049 20 0 "[ . 1 . 2]"
1 30 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LEU 0.007 0.004 9 0 "[ . 1 . 2]"
1 32 TYR 0.171 0.012 16 0 "[ . 1 . 2]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 TYR 0.018 0.011 15 0 "[ . 1 . 2]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLU 0.089 0.038 11 0 "[ . 1 . 2]"
1 38 PHE 0.371 0.041 17 0 "[ . 1 . 2]"
1 39 TRP 0.016 0.010 12 0 "[ . 1 . 2]"
1 40 LYS 0.089 0.038 11 0 "[ . 1 . 2]"
1 41 LEU 0.439 0.056 15 0 "[ . 1 . 2]"
1 42 LYS 0.370 0.115 13 0 "[ . 1 . 2]"
1 43 THR 0.434 0.036 11 0 "[ . 1 . 2]"
1 44 ARG 1.016 0.130 6 0 "[ . 1 . 2]"
1 45 LEU 0.454 0.040 14 0 "[ . 1 . 2]"
1 46 GLU 0.884 0.040 14 0 "[ . 1 . 2]"
1 47 ARG 0.005 0.005 8 0 "[ . 1 . 2]"
1 48 ASP 0.419 0.043 20 0 "[ . 1 . 2]"
1 49 VAL 0.148 0.018 20 0 "[ . 1 . 2]"
1 50 GLY 0.419 0.043 20 0 "[ . 1 . 2]"
1 51 SER 0.234 0.018 20 0 "[ . 1 . 2]"
1 52 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ILE 0.567 0.115 13 0 "[ . 1 . 2]"
1 54 PRO 0.197 0.034 20 0 "[ . 1 . 2]"
1 55 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 PHE 0.016 0.010 12 0 "[ . 1 . 2]"
1 58 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PRO 0.017 0.004 12 0 "[ . 1 . 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 VAL 0.017 0.004 12 0 "[ . 1 . 2]"
1 64 LEU 0.038 0.014 15 0 "[ . 1 . 2]"
1 65 ASP 0.038 0.014 15 0 "[ . 1 . 2]"
1 66 ARG 0.379 0.051 16 0 "[ . 1 . 2]"
1 67 ARG 0.370 0.051 16 0 "[ . 1 . 2]"
1 68 TRP 0.084 0.014 7 0 "[ . 1 . 2]"
1 69 GLN 0.076 0.014 7 0 "[ . 1 . 2]"
1 70 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ARG 0.126 0.020 20 0 "[ . 1 . 2]"
1 72 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ASP 0.065 0.031 19 0 "[ . 1 . 2]"
1 74 ASP 0.126 0.020 20 0 "[ . 1 . 2]"
1 75 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLU 0.063 0.024 20 0 "[ . 1 . 2]"
1 77 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ASP 0.094 0.024 20 0 "[ . 1 . 2]"
1 80 GLU 0.527 0.060 12 0 "[ . 1 . 2]"
1 81 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ILE 1.647 0.169 17 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLU 0.041 0.013 8 0 "[ . 1 . 2]"
1 87 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LEU 0.218 0.087 1 0 "[ . 1 . 2]"
1 90 ASN 0.097 0.024 1 0 "[ . 1 . 2]"
1 91 GLU 0.012 0.012 1 0 "[ . 1 . 2]"
1 92 LEU 0.012 0.012 1 0 "[ . 1 . 2]"
1 93 TYR 0.144 0.061 17 0 "[ . 1 . 2]"
1 94 ASN 0.080 0.016 20 0 "[ . 1 . 2]"
1 95 ASP 0.084 0.016 20 0 "[ . 1 . 2]"
1 96 ARG 0.056 0.021 12 0 "[ . 1 . 2]"
1 97 PHE 0.007 0.004 7 0 "[ . 1 . 2]"
1 98 ASP 0.319 0.029 19 0 "[ . 1 . 2]"
1 99 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ARG 0.385 0.029 19 0 "[ . 1 . 2]"
1 101 TRP 0.174 0.017 5 0 "[ . 1 . 2]"
1 102 ARG 0.036 0.036 14 0 "[ . 1 . 2]"
1 103 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 THR 0.006 0.006 5 0 "[ . 1 . 2]"
1 105 LYS 0.010 0.006 5 0 "[ . 1 . 2]"
1 106 ILE 1.319 0.130 6 0 "[ . 1 . 2]"
1 107 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 GLN 0.004 0.003 11 0 "[ . 1 . 2]"
1 109 ASP 0.235 0.023 14 0 "[ . 1 . 2]"
1 110 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 LEU 0.003 0.002 13 0 "[ . 1 . 2]"
1 112 GLN 0.398 0.054 9 0 "[ . 1 . 2]"
1 113 LEU 0.300 0.056 9 0 "[ . 1 . 2]"
1 114 SER 0.682 0.056 9 0 "[ . 1 . 2]"
1 115 LYS 0.007 0.005 13 0 "[ . 1 . 2]"
1 116 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 LYS HA 1 2 MET H 2.800 . 2.800 2.313 2.147 2.803 0.003 9 0 "[ . 1 . 2]" 1
2 1 1 LYS QB 1 2 MET H 5.500 . 5.500 3.401 2.283 3.985 . 0 0 "[ . 1 . 2]" 1
3 1 2 MET HA 1 3 SER H 2.800 . 2.800 2.267 2.144 2.514 . 0 0 "[ . 1 . 2]" 1
4 1 2 MET H 1 3 SER H 5.000 . 5.000 4.469 4.101 4.618 . 0 0 "[ . 1 . 2]" 1
5 1 3 SER HA 1 4 GLU H 2.800 . 2.800 2.251 2.140 2.420 . 0 0 "[ . 1 . 2]" 1
6 1 3 SER QB 1 4 GLU H 4.000 . 4.000 3.048 2.402 3.565 . 0 0 "[ . 1 . 2]" 1
7 1 4 GLU HA 1 5 LYS H 2.800 . 2.800 2.219 2.140 2.387 . 0 0 "[ . 1 . 2]" 1
8 1 4 GLU QB 1 5 LYS H 5.000 . 5.000 3.206 2.444 3.812 . 0 0 "[ . 1 . 2]" 1
9 1 4 GLU QG 1 5 LYS H 5.500 . 5.500 4.078 3.281 4.504 . 0 0 "[ . 1 . 2]" 1
10 1 4 GLU H 1 4 GLU QB 3.300 . 3.300 2.515 2.152 2.946 . 0 0 "[ . 1 . 2]" 1
11 1 4 GLU H 1 4 GLU QG 4.000 . 4.000 2.788 1.968 3.562 . 0 0 "[ . 1 . 2]" 1
12 1 5 LYS HA 1 6 LEU H 2.800 . 2.800 2.203 2.139 2.252 . 0 0 "[ . 1 . 2]" 1
13 1 5 LYS QB 1 6 LEU H 4.000 . 4.000 3.103 2.770 3.564 . 0 0 "[ . 1 . 2]" 1
14 1 5 LYS H 1 5 LYS QB 3.300 . 3.300 2.729 2.350 2.962 . 0 0 "[ . 1 . 2]" 1
15 1 5 LYS H 1 5 LYS QG 5.000 . 5.000 3.381 2.008 4.375 . 0 0 "[ . 1 . 2]" 1
16 1 6 LEU HA 1 7 ARG H 2.800 . 2.800 2.232 2.213 2.239 . 0 0 "[ . 1 . 2]" 1
17 1 6 LEU QB 1 7 ARG H 4.000 . 4.000 3.554 3.502 3.571 . 0 0 "[ . 1 . 2]" 1
18 1 6 LEU QB 1 8 ILE MD 5.500 . 5.500 2.224 1.942 2.531 . 0 0 "[ . 1 . 2]" 1
19 1 6 LEU QB 1 90 ASN QD 5.500 . 5.500 3.458 1.952 4.372 . 0 0 "[ . 1 . 2]" 1
20 1 6 LEU HA 1 6 LEU MD1 3.300 . 3.300 2.367 2.075 2.748 . 0 0 "[ . 1 . 2]" 1
21 1 6 LEU H 1 6 LEU MD1 5.500 . 5.500 4.148 3.857 4.338 . 0 0 "[ . 1 . 2]" 1
22 1 6 LEU MD1 1 7 ARG H 4.000 . 4.000 2.875 2.191 3.333 . 0 0 "[ . 1 . 2]" 1
23 1 6 LEU MD1 1 8 ILE QG 5.500 . 5.500 3.996 3.818 4.084 . 0 0 "[ . 1 . 2]" 1
24 1 6 LEU MD1 1 27 PRO QD 6.000 . 6.000 3.598 2.685 4.405 . 0 0 "[ . 1 . 2]" 1
25 1 6 LEU MD1 1 27 PRO QG 5.500 . 5.500 2.800 1.880 3.718 . 0 0 "[ . 1 . 2]" 1
26 1 6 LEU MD2 1 93 TYR QB 5.500 . 5.500 2.057 1.739 3.299 0.061 17 0 "[ . 1 . 2]" 1
27 1 6 LEU MD2 1 93 TYR QD 6.000 . 6.000 2.380 1.812 3.518 . 0 0 "[ . 1 . 2]" 1
28 1 6 LEU H 1 6 LEU MD2 5.500 . 5.500 4.225 4.146 4.336 . 0 0 "[ . 1 . 2]" 1
29 1 6 LEU MD2 1 7 ARG H 5.500 . 5.500 3.945 3.633 4.107 . 0 0 "[ . 1 . 2]" 1
30 1 6 LEU MD2 1 8 ILE MD 4.500 . 4.500 1.871 1.765 2.055 0.035 7 0 "[ . 1 . 2]" 1
31 1 6 LEU MD2 1 89 LEU MD1 6.000 . 6.000 4.067 3.493 4.164 . 0 0 "[ . 1 . 2]" 1
32 1 6 LEU MD2 1 90 ASN HA 5.500 . 5.500 2.992 2.569 3.758 . 0 0 "[ . 1 . 2]" 1
33 1 6 LEU MD2 1 90 ASN H 5.500 . 5.500 4.453 4.212 4.586 . 0 0 "[ . 1 . 2]" 1
34 1 6 LEU H 1 6 LEU QB 3.500 . 3.500 2.285 2.234 2.426 . 0 0 "[ . 1 . 2]" 1
35 1 6 LEU H 1 7 ARG H 5.000 . 5.000 4.585 4.501 4.608 . 0 0 "[ . 1 . 2]" 1
36 1 6 LEU H 1 90 ASN H 5.500 . 5.500 5.433 5.097 5.524 0.024 1 0 "[ . 1 . 2]" 1
37 1 7 ARG HA 1 8 ILE H 2.800 . 2.800 2.167 2.157 2.174 . 0 0 "[ . 1 . 2]" 1
38 1 7 ARG QB 1 8 ILE H 4.000 . 4.000 3.592 3.571 3.613 . 0 0 "[ . 1 . 2]" 1
39 1 7 ARG H 1 7 ARG QB 3.300 . 3.300 2.596 2.327 2.836 . 0 0 "[ . 1 . 2]" 1
40 1 7 ARG H 1 7 ARG QD 5.500 . 5.500 3.419 1.964 4.382 . 0 0 "[ . 1 . 2]" 1
41 1 7 ARG H 1 27 PRO QG 5.500 . 5.500 3.570 2.631 3.988 . 0 0 "[ . 1 . 2]" 1
42 1 8 ILE HA 1 9 LYS H 2.800 . 2.800 2.159 2.142 2.204 . 0 0 "[ . 1 . 2]" 1
43 1 8 ILE HB 1 90 ASN QD 5.500 . 5.500 2.206 1.863 2.813 . 0 0 "[ . 1 . 2]" 1
44 1 8 ILE MD 1 93 TYR QB 5.000 . 5.000 3.501 3.160 3.727 . 0 0 "[ . 1 . 2]" 1
45 1 8 ILE MD 1 93 TYR QD 5.000 . 5.000 3.313 2.211 3.715 . 0 0 "[ . 1 . 2]" 1
46 1 8 ILE H 1 8 ILE MD 5.000 . 5.000 4.061 3.578 4.179 . 0 0 "[ . 1 . 2]" 1
47 1 8 ILE MD 1 26 THR MG 4.500 . 4.500 3.012 2.643 3.133 . 0 0 "[ . 1 . 2]" 1
48 1 8 ILE MD 1 89 LEU HA 5.500 . 5.500 4.035 3.914 4.204 . 0 0 "[ . 1 . 2]" 1
49 1 8 ILE MD 1 89 LEU QB 4.500 . 4.500 1.842 1.713 1.987 0.087 1 0 "[ . 1 . 2]" 1
50 1 8 ILE MD 1 89 LEU MD1 5.000 . 5.000 2.592 2.187 2.966 . 0 0 "[ . 1 . 2]" 1
51 1 8 ILE MD 1 90 ASN HA 4.000 . 4.000 2.341 1.956 2.826 . 0 0 "[ . 1 . 2]" 1
52 1 8 ILE MD 1 90 ASN QD 5.500 . 5.500 2.389 1.783 3.426 0.017 8 0 "[ . 1 . 2]" 1
53 1 8 ILE MD 1 90 ASN H 4.000 . 4.000 2.644 2.376 2.828 . 0 0 "[ . 1 . 2]" 1
54 1 8 ILE QG 1 26 THR MG 4.500 . 4.500 1.902 1.777 2.178 0.023 6 0 "[ . 1 . 2]" 1
55 1 8 ILE MG 1 9 LYS H 4.000 . 4.000 2.805 2.274 3.020 . 0 0 "[ . 1 . 2]" 1
56 1 8 ILE MG 1 25 SER H 5.500 . 5.500 3.999 3.701 4.328 . 0 0 "[ . 1 . 2]" 1
57 1 8 ILE MG 1 26 THR HA 5.500 . 5.500 4.106 3.629 4.545 . 0 0 "[ . 1 . 2]" 1
58 1 8 ILE MG 1 26 THR MG 4.500 . 4.500 2.153 1.843 2.670 . 0 0 "[ . 1 . 2]" 1
59 1 8 ILE MG 1 86 GLU HA 5.500 . 5.500 2.156 1.935 2.802 . 0 0 "[ . 1 . 2]" 1
60 1 8 ILE MG 1 89 LEU QB 4.500 . 4.500 3.102 2.846 3.338 . 0 0 "[ . 1 . 2]" 1
61 1 8 ILE MG 1 90 ASN QD 5.500 . 5.500 3.451 2.957 4.081 . 0 0 "[ . 1 . 2]" 1
62 1 8 ILE MG 1 90 ASN H 5.500 . 5.500 4.490 4.243 4.587 . 0 0 "[ . 1 . 2]" 1
63 1 8 ILE H 1 8 ILE HB 2.800 . 2.800 2.817 2.728 2.842 0.042 19 0 "[ . 1 . 2]" 1
64 1 8 ILE H 1 9 LYS H 5.000 . 5.000 4.132 4.026 4.309 . 0 0 "[ . 1 . 2]" 1
65 1 8 ILE H 1 26 THR MG 5.500 . 5.500 4.594 4.582 4.606 . 0 0 "[ . 1 . 2]" 1
66 1 8 ILE H 1 90 ASN QD 4.500 . 4.500 3.132 2.415 4.004 . 0 0 "[ . 1 . 2]" 1
67 1 9 LYS HA 1 10 VAL MG2 5.500 . 5.500 3.313 3.134 3.502 . 0 0 "[ . 1 . 2]" 1
68 1 9 LYS HA 1 10 VAL H 2.800 . 2.800 2.163 2.137 2.219 . 0 0 "[ . 1 . 2]" 1
69 1 9 LYS QB 1 10 VAL H 4.000 . 4.000 3.207 2.880 3.503 . 0 0 "[ . 1 . 2]" 1
70 1 9 LYS QB 1 11 ASP QB 5.500 . 5.500 4.098 3.699 4.368 . 0 0 "[ . 1 . 2]" 1
71 1 9 LYS QB 1 25 SER H 5.500 . 5.500 4.454 4.047 4.908 . 0 0 "[ . 1 . 2]" 1
72 1 9 LYS QG 1 10 VAL H 5.500 . 5.500 4.258 3.788 4.537 . 0 0 "[ . 1 . 2]" 1
73 1 9 LYS H 1 9 LYS QG 4.000 . 4.000 2.794 1.961 3.568 . 0 0 "[ . 1 . 2]" 1
74 1 9 LYS H 1 25 SER H 3.500 . 3.500 3.506 3.403 3.523 0.023 8 0 "[ . 1 . 2]" 1
75 1 10 VAL HA 1 11 ASP H 2.800 . 2.800 2.149 2.135 2.192 . 0 0 "[ . 1 . 2]" 1
76 1 10 VAL HA 1 12 ASP H 5.000 . 5.000 3.566 3.416 3.673 . 0 0 "[ . 1 . 2]" 1
77 1 10 VAL HA 1 24 VAL MG1 5.500 . 5.500 3.870 3.703 4.046 . 0 0 "[ . 1 . 2]" 1
78 1 10 VAL HA 1 24 VAL MG2 5.500 . 5.500 4.183 4.008 4.400 . 0 0 "[ . 1 . 2]" 1
79 1 10 VAL HA 1 25 SER H 3.500 . 3.500 2.613 2.446 2.793 . 0 0 "[ . 1 . 2]" 1
80 1 10 VAL MG1 1 11 ASP H 4.000 . 4.000 3.070 2.781 3.332 . 0 0 "[ . 1 . 2]" 1
81 1 10 VAL MG1 1 12 ASP H 5.500 . 5.500 2.724 2.543 2.880 . 0 0 "[ . 1 . 2]" 1
82 1 10 VAL MG1 1 22 TYR QB 5.000 . 5.000 2.555 2.382 2.702 . 0 0 "[ . 1 . 2]" 1
83 1 10 VAL MG1 1 22 TYR QD 5.000 . 5.000 2.685 2.522 2.758 . 0 0 "[ . 1 . 2]" 1
84 1 10 VAL MG1 1 22 TYR QE 6.000 . 6.000 4.421 4.215 4.459 . 0 0 "[ . 1 . 2]" 1
85 1 10 VAL MG1 1 23 GLY H 4.000 . 4.000 3.309 3.237 3.337 . 0 0 "[ . 1 . 2]" 1
86 1 10 VAL MG1 1 24 VAL HA 5.500 . 5.500 1.891 1.841 1.928 . 0 0 "[ . 1 . 2]" 1
87 1 10 VAL MG1 1 24 VAL HB 5.500 . 5.500 4.138 4.044 4.242 . 0 0 "[ . 1 . 2]" 1
88 1 10 VAL MG1 1 25 SER H 4.000 . 4.000 3.361 3.352 3.368 . 0 0 "[ . 1 . 2]" 1
89 1 10 VAL MG1 1 82 ARG HA 5.500 . 5.500 3.923 3.691 4.220 . 0 0 "[ . 1 . 2]" 1
90 1 10 VAL MG1 1 82 ARG QD 6.500 . 6.500 3.666 2.247 4.825 . 0 0 "[ . 1 . 2]" 1
91 1 10 VAL MG1 1 82 ARG HE 5.500 . 5.500 4.139 3.454 4.588 . 0 0 "[ . 1 . 2]" 1
92 1 10 VAL MG1 1 82 ARG QG 4.500 . 4.500 2.908 2.395 3.285 . 0 0 "[ . 1 . 2]" 1
93 1 10 VAL MG1 1 85 LEU MD1 5.500 . 5.500 3.440 2.823 3.816 . 0 0 "[ . 1 . 2]" 1
94 1 10 VAL H 1 10 VAL MG2 4.000 . 4.000 2.243 1.971 2.504 . 0 0 "[ . 1 . 2]" 1
95 1 10 VAL MG2 1 11 ASP H 5.500 . 5.500 4.375 4.314 4.411 . 0 0 "[ . 1 . 2]" 1
96 1 10 VAL MG2 1 22 TYR QB 6.000 . 6.000 4.243 4.102 4.381 . 0 0 "[ . 1 . 2]" 1
97 1 10 VAL MG2 1 24 VAL HA 4.000 . 4.000 2.603 1.986 2.818 . 0 0 "[ . 1 . 2]" 1
98 1 10 VAL MG2 1 25 SER H 5.500 . 5.500 3.349 3.023 3.654 . 0 0 "[ . 1 . 2]" 1
99 1 10 VAL MG2 1 85 LEU MD1 6.000 . 6.000 3.580 3.074 4.115 . 0 0 "[ . 1 . 2]" 1
100 1 10 VAL MG2 1 86 GLU HA 5.500 . 5.500 3.644 3.303 4.066 . 0 0 "[ . 1 . 2]" 1
101 1 10 VAL MG2 1 86 GLU H 4.000 . 4.000 3.217 3.013 3.343 . 0 0 "[ . 1 . 2]" 1
102 1 10 VAL H 1 10 VAL HB 3.500 . 3.500 2.953 2.829 3.057 . 0 0 "[ . 1 . 2]" 1
103 1 10 VAL H 1 11 ASP H 5.000 . 5.000 4.250 4.003 4.423 . 0 0 "[ . 1 . 2]" 1
104 1 11 ASP HA 1 12 ASP H 5.000 . 5.000 2.964 2.886 3.010 . 0 0 "[ . 1 . 2]" 1
105 1 11 ASP QB 1 12 ASP H 5.000 . 5.000 3.812 3.733 4.033 . 0 0 "[ . 1 . 2]" 1
106 1 11 ASP H 1 12 ASP H 3.500 . 3.500 2.225 1.999 2.418 . 0 0 "[ . 1 . 2]" 1
107 1 11 ASP H 1 25 SER H 5.000 . 5.000 4.006 3.748 4.408 . 0 0 "[ . 1 . 2]" 1
108 1 12 ASP HA 1 13 VAL MG2 5.500 . 5.500 3.460 3.297 3.614 . 0 0 "[ . 1 . 2]" 1
109 1 12 ASP HA 1 13 VAL H 2.800 . 2.800 2.187 2.152 2.261 . 0 0 "[ . 1 . 2]" 1
110 1 12 ASP QB 1 13 VAL H 4.000 . 4.000 3.302 3.000 3.565 . 0 0 "[ . 1 . 2]" 1
111 1 12 ASP QB 1 23 GLY H 4.000 . 4.000 2.789 2.649 3.008 . 0 0 "[ . 1 . 2]" 1
112 1 12 ASP QB 1 32 TYR QE 6.500 . 6.500 2.743 2.111 4.354 . 0 0 "[ . 1 . 2]" 1
113 1 12 ASP H 1 23 GLY H 3.500 . 3.500 3.506 3.473 3.521 0.021 12 0 "[ . 1 . 2]" 1
114 1 12 ASP H 1 24 VAL HA 5.000 . 5.000 5.002 4.972 5.009 0.009 13 0 "[ . 1 . 2]" 1
115 1 13 VAL HA 1 14 LYS H 2.800 . 2.800 2.147 2.138 2.176 . 0 0 "[ . 1 . 2]" 1
116 1 13 VAL HA 1 23 GLY H 3.500 . 3.500 2.990 2.685 3.208 . 0 0 "[ . 1 . 2]" 1
117 1 13 VAL MG1 1 14 LYS H 4.000 . 4.000 2.765 2.227 3.065 . 0 0 "[ . 1 . 2]" 1
118 1 13 VAL MG1 1 15 ILE MD 3.800 . 3.800 2.043 1.889 2.233 . 0 0 "[ . 1 . 2]" 1
119 1 13 VAL MG1 1 15 ILE QG 5.500 . 5.500 3.391 2.945 3.758 . 0 0 "[ . 1 . 2]" 1
120 1 13 VAL MG1 1 15 ILE H 5.500 . 5.500 3.855 3.671 4.144 . 0 0 "[ . 1 . 2]" 1
121 1 13 VAL MG1 1 20 VAL HB 5.500 . 5.500 4.011 3.690 4.360 . 0 0 "[ . 1 . 2]" 1
122 1 13 VAL MG1 1 20 VAL MG1 3.800 . 3.800 1.929 1.738 2.160 0.062 13 0 "[ . 1 . 2]" 1
123 1 13 VAL MG1 1 21 LEU H 5.500 . 5.500 3.704 3.317 4.040 . 0 0 "[ . 1 . 2]" 1
124 1 13 VAL MG1 1 22 TYR HA 4.000 . 4.000 3.135 2.877 3.333 . 0 0 "[ . 1 . 2]" 1
125 1 13 VAL MG1 1 22 TYR QD 6.500 . 6.500 3.461 3.207 3.831 . 0 0 "[ . 1 . 2]" 1
126 1 13 VAL MG1 1 22 TYR QE 6.500 . 6.500 3.262 3.030 3.578 . 0 0 "[ . 1 . 2]" 1
127 1 13 VAL MG1 1 23 GLY H 5.500 . 5.500 4.475 4.273 4.581 . 0 0 "[ . 1 . 2]" 1
128 1 13 VAL MG1 1 78 ILE MG 6.000 . 6.000 2.017 1.865 2.279 . 0 0 "[ . 1 . 2]" 1
129 1 13 VAL H 1 13 VAL MG2 4.000 . 4.000 2.931 2.904 2.957 . 0 0 "[ . 1 . 2]" 1
130 1 13 VAL MG2 1 14 LYS H 5.500 . 5.500 4.175 4.066 4.243 . 0 0 "[ . 1 . 2]" 1
131 1 13 VAL MG2 1 22 TYR HA 4.000 . 4.000 2.778 2.593 2.937 . 0 0 "[ . 1 . 2]" 1
132 1 13 VAL MG2 1 22 TYR QD 4.500 . 4.500 2.490 2.203 2.847 . 0 0 "[ . 1 . 2]" 1
133 1 13 VAL MG2 1 22 TYR QE 5.000 . 5.000 2.640 2.287 3.188 . 0 0 "[ . 1 . 2]" 1
134 1 13 VAL MG2 1 23 GLY H 4.000 . 4.000 3.305 3.212 3.333 . 0 0 "[ . 1 . 2]" 1
135 1 13 VAL MG2 1 82 ARG QD 4.500 . 4.500 2.516 1.864 3.346 . 0 0 "[ . 1 . 2]" 1
136 1 13 VAL MG2 1 82 ARG HE 5.500 . 5.500 3.044 1.939 4.494 . 0 0 "[ . 1 . 2]" 1
137 1 13 VAL H 1 13 VAL HB 3.500 . 3.500 2.972 2.900 2.995 . 0 0 "[ . 1 . 2]" 1
138 1 13 VAL H 1 14 LYS H 5.000 . 5.000 4.041 3.874 4.231 . 0 0 "[ . 1 . 2]" 1
139 1 13 VAL H 1 22 TYR HA 6.000 . 6.000 4.996 4.775 5.193 . 0 0 "[ . 1 . 2]" 1
140 1 14 LYS HA 1 15 ILE H 2.800 . 2.800 2.163 2.142 2.185 . 0 0 "[ . 1 . 2]" 1
141 1 14 LYS QB 1 15 ILE H 5.000 . 5.000 3.757 3.443 3.949 . 0 0 "[ . 1 . 2]" 1
142 1 14 LYS QD 1 21 LEU MD1 6.000 . 6.000 3.269 2.085 4.103 . 0 0 "[ . 1 . 2]" 1
143 1 15 ILE HA 1 16 ASN H 2.800 . 2.800 2.187 2.138 2.212 . 0 0 "[ . 1 . 2]" 1
144 1 15 ILE HA 1 20 VAL MG1 5.500 . 5.500 2.309 1.992 2.603 . 0 0 "[ . 1 . 2]" 1
145 1 15 ILE HA 1 20 VAL MG2 4.500 . 4.500 2.731 2.545 2.956 . 0 0 "[ . 1 . 2]" 1
146 1 15 ILE HB 1 16 ASN H 5.000 . 5.000 4.301 4.019 4.383 . 0 0 "[ . 1 . 2]" 1
147 1 15 ILE HB 1 20 VAL MG2 5.500 . 5.500 4.575 4.533 4.587 . 0 0 "[ . 1 . 2]" 1
148 1 15 ILE H 1 15 ILE MD 4.000 . 4.000 2.998 2.758 3.303 . 0 0 "[ . 1 . 2]" 1
149 1 15 ILE MD 1 16 ASN H 5.500 . 5.500 4.005 3.806 4.173 . 0 0 "[ . 1 . 2]" 1
150 1 15 ILE MD 1 20 VAL HA 5.500 . 5.500 3.442 3.088 3.783 . 0 0 "[ . 1 . 2]" 1
151 1 15 ILE MD 1 20 VAL MG1 4.500 . 4.500 1.710 1.671 1.777 0.129 20 0 "[ . 1 . 2]" 1
152 1 15 ILE MD 1 73 ASP QB 4.500 . 4.500 3.317 3.127 3.344 . 0 0 "[ . 1 . 2]" 1
153 1 15 ILE MD 1 78 ILE QG 6.000 . 6.000 3.138 2.390 3.735 . 0 0 "[ . 1 . 2]" 1
154 1 15 ILE QG 1 16 ASN H 5.500 . 5.500 4.841 4.736 4.902 . 0 0 "[ . 1 . 2]" 1
155 1 15 ILE QG 1 20 VAL MG1 6.000 . 6.000 3.371 3.079 3.543 . 0 0 "[ . 1 . 2]" 1
156 1 15 ILE QG 1 20 VAL MG2 5.500 . 5.500 3.967 3.883 4.081 . 0 0 "[ . 1 . 2]" 1
157 1 15 ILE QG 1 78 ILE MD 6.000 . 6.000 3.449 3.147 4.037 . 0 0 "[ . 1 . 2]" 1
158 1 15 ILE HA 1 15 ILE MG 3.300 . 3.300 2.301 2.183 2.363 . 0 0 "[ . 1 . 2]" 1
159 1 15 ILE H 1 15 ILE MG 4.500 . 4.500 3.769 3.765 3.777 . 0 0 "[ . 1 . 2]" 1
160 1 15 ILE MG 1 16 ASN H 4.000 . 4.000 3.133 2.610 3.331 . 0 0 "[ . 1 . 2]" 1
161 1 15 ILE MG 1 20 VAL HA 5.500 . 5.500 3.759 3.172 4.089 . 0 0 "[ . 1 . 2]" 1
162 1 15 ILE MG 1 20 VAL MG1 4.500 . 4.500 3.121 3.095 3.125 . 0 0 "[ . 1 . 2]" 1
163 1 15 ILE MG 1 72 TYR QE 5.000 . 5.000 3.548 3.000 3.714 . 0 0 "[ . 1 . 2]" 1
164 1 15 ILE MG 1 73 ASP QB 4.500 . 4.500 1.882 1.769 2.352 0.031 19 0 "[ . 1 . 2]" 1
165 1 15 ILE H 1 15 ILE HB 3.500 . 3.500 2.669 2.611 2.710 . 0 0 "[ . 1 . 2]" 1
166 1 15 ILE H 1 15 ILE QG 4.000 . 4.000 1.956 1.929 1.972 . 0 0 "[ . 1 . 2]" 1
167 1 15 ILE H 1 16 ASN H 5.000 . 5.000 4.303 4.209 4.547 . 0 0 "[ . 1 . 2]" 1
168 1 16 ASN HA 1 17 PRO QD 2.800 . 2.800 1.960 1.902 2.085 . 0 0 "[ . 1 . 2]" 1
169 1 16 ASN QB 1 17 PRO QD 5.000 . 5.000 2.883 2.152 3.233 . 0 0 "[ . 1 . 2]" 1
170 1 16 ASN QB 1 19 TYR H 4.000 . 4.000 2.091 1.971 2.486 . 0 0 "[ . 1 . 2]" 1
171 1 16 ASN QB 1 72 TYR QE 6.500 . 6.500 4.584 4.363 4.740 . 0 0 "[ . 1 . 2]" 1
172 1 16 ASN H 1 17 PRO QD 5.500 . 5.500 4.386 4.340 4.403 . 0 0 "[ . 1 . 2]" 1
173 1 16 ASN H 1 19 TYR H 5.000 . 5.000 3.753 3.648 3.896 . 0 0 "[ . 1 . 2]" 1
174 1 16 ASN H 1 20 VAL HA 4.000 . 4.000 2.377 2.237 2.595 . 0 0 "[ . 1 . 2]" 1
175 1 16 ASN H 1 20 VAL MG1 5.500 . 5.500 3.700 3.484 3.905 . 0 0 "[ . 1 . 2]" 1
176 1 16 ASN H 1 20 VAL MG2 5.500 . 5.500 3.277 2.719 3.694 . 0 0 "[ . 1 . 2]" 1
177 1 16 ASN H 1 21 LEU H 5.000 . 5.000 3.501 2.837 4.135 . 0 0 "[ . 1 . 2]" 1
178 1 16 ASN H 1 72 TYR QE 6.000 . 6.000 4.241 3.666 4.589 . 0 0 "[ . 1 . 2]" 1
179 1 17 PRO HA 1 18 LYS H 3.500 . 3.500 3.480 3.453 3.504 0.004 4 0 "[ . 1 . 2]" 1
180 1 17 PRO QB 1 18 LYS H 5.500 . 5.500 3.080 2.826 3.434 . 0 0 "[ . 1 . 2]" 1
181 1 17 PRO QD 1 18 LYS H 5.500 . 5.500 2.894 2.797 3.148 . 0 0 "[ . 1 . 2]" 1
182 1 18 LYS HA 1 19 TYR QD 6.000 . 6.000 4.485 3.774 5.102 . 0 0 "[ . 1 . 2]" 1
183 1 18 LYS QB 1 19 TYR QD 6.000 . 6.000 2.805 1.948 3.984 . 0 0 "[ . 1 . 2]" 1
184 1 18 LYS QB 1 19 TYR H 3.500 . 3.500 2.815 2.598 3.111 . 0 0 "[ . 1 . 2]" 1
185 1 18 LYS QE 1 19 TYR QE 6.000 . 6.000 3.511 2.276 4.765 . 0 0 "[ . 1 . 2]" 1
186 1 18 LYS H 1 18 LYS QB 3.500 . 3.500 2.301 2.129 2.599 . 0 0 "[ . 1 . 2]" 1
187 1 18 LYS H 1 18 LYS QG 4.000 . 4.000 3.129 2.247 3.639 . 0 0 "[ . 1 . 2]" 1
188 1 18 LYS H 1 19 TYR H 2.800 . 2.800 2.213 2.053 2.342 . 0 0 "[ . 1 . 2]" 1
189 1 19 TYR HA 1 20 VAL MG2 5.500 . 5.500 3.359 3.175 3.555 . 0 0 "[ . 1 . 2]" 1
190 1 19 TYR HA 1 20 VAL H 2.800 . 2.800 2.380 2.369 2.386 . 0 0 "[ . 1 . 2]" 1
191 1 19 TYR HA 1 72 TYR QD 6.000 . 6.000 2.802 2.149 3.248 . 0 0 "[ . 1 . 2]" 1
192 1 19 TYR HA 1 72 TYR QE 4.500 . 4.500 3.050 2.275 3.754 . 0 0 "[ . 1 . 2]" 1
193 1 19 TYR QB 1 20 VAL H 3.500 . 3.500 2.442 2.419 2.475 . 0 0 "[ . 1 . 2]" 1
194 1 19 TYR QD 1 20 VAL H 6.000 . 6.000 3.827 3.568 4.106 . 0 0 "[ . 1 . 2]" 1
195 1 19 TYR QD 1 21 LEU MD1 6.500 . 6.500 3.785 3.461 4.308 . 0 0 "[ . 1 . 2]" 1
196 1 19 TYR QD 1 21 LEU MD2 5.500 . 5.500 2.212 1.887 3.388 . 0 0 "[ . 1 . 2]" 1
197 1 19 TYR QD 1 34 ARG QD 6.000 . 6.000 3.414 1.968 4.548 . 0 0 "[ . 1 . 2]" 1
198 1 19 TYR QE 1 21 LEU MD1 5.000 . 5.000 2.581 1.979 3.582 . 0 0 "[ . 1 . 2]" 1
199 1 19 TYR QE 1 21 LEU MD2 5.000 . 5.000 2.293 1.945 3.592 . 0 0 "[ . 1 . 2]" 1
200 1 19 TYR QE 1 21 LEU HG 6.000 . 6.000 3.050 2.486 4.030 . 0 0 "[ . 1 . 2]" 1
201 1 19 TYR H 1 19 TYR QD 4.000 . 4.000 3.167 2.161 3.513 . 0 0 "[ . 1 . 2]" 1
202 1 19 TYR H 1 20 VAL H 5.000 . 5.000 4.335 4.321 4.372 . 0 0 "[ . 1 . 2]" 1
203 1 19 TYR H 1 72 TYR QE 4.000 . 4.000 3.531 3.265 3.572 . 0 0 "[ . 1 . 2]" 1
204 1 20 VAL HA 1 21 LEU H 2.800 . 2.800 2.148 2.140 2.169 . 0 0 "[ . 1 . 2]" 1
205 1 20 VAL HB 1 22 TYR QD 6.000 . 6.000 4.532 4.333 4.697 . 0 0 "[ . 1 . 2]" 1
206 1 20 VAL HB 1 22 TYR QE 5.500 . 5.500 3.384 3.057 3.766 . 0 0 "[ . 1 . 2]" 1
207 1 20 VAL MG1 1 21 LEU H 4.000 . 4.000 2.800 2.568 2.946 . 0 0 "[ . 1 . 2]" 1
208 1 20 VAL MG1 1 22 TYR QD 6.500 . 6.500 3.755 3.334 4.039 . 0 0 "[ . 1 . 2]" 1
209 1 20 VAL MG1 1 22 TYR QE 5.500 . 5.500 3.159 2.410 3.575 . 0 0 "[ . 1 . 2]" 1
210 1 20 VAL MG1 1 72 TYR QD 6.500 . 6.500 4.624 4.369 4.825 . 0 0 "[ . 1 . 2]" 1
211 1 20 VAL MG1 1 78 ILE HB 5.500 . 5.500 4.586 4.573 4.592 . 0 0 "[ . 1 . 2]" 1
212 1 20 VAL MG1 1 78 ILE QG 6.000 . 6.000 2.348 2.003 2.774 . 0 0 "[ . 1 . 2]" 1
213 1 20 VAL MG1 1 78 ILE MG 4.500 . 4.500 2.835 2.480 3.093 . 0 0 "[ . 1 . 2]" 1
214 1 20 VAL H 1 20 VAL MG2 4.000 . 4.000 2.377 2.158 2.555 . 0 0 "[ . 1 . 2]" 1
215 1 20 VAL MG2 1 21 LEU H 5.500 . 5.500 4.181 4.104 4.232 . 0 0 "[ . 1 . 2]" 1
216 1 20 VAL MG2 1 22 TYR QE 6.500 . 6.500 4.620 4.350 4.827 . 0 0 "[ . 1 . 2]" 1
217 1 20 VAL MG2 1 72 TYR QB 6.500 . 6.500 2.896 2.316 3.376 . 0 0 "[ . 1 . 2]" 1
218 1 20 VAL MG2 1 72 TYR QD 5.000 . 5.000 1.988 1.836 2.337 . 0 0 "[ . 1 . 2]" 1
219 1 20 VAL MG2 1 72 TYR QE 5.000 . 5.000 3.076 2.567 3.367 . 0 0 "[ . 1 . 2]" 1
220 1 20 VAL MG2 1 73 ASP HA 5.500 . 5.500 2.219 1.906 2.919 . 0 0 "[ . 1 . 2]" 1
221 1 20 VAL MG2 1 73 ASP QB 6.000 . 6.000 2.982 2.616 3.563 . 0 0 "[ . 1 . 2]" 1
222 1 20 VAL MG2 1 73 ASP H 5.500 . 5.500 3.923 3.661 4.394 . 0 0 "[ . 1 . 2]" 1
223 1 20 VAL MG2 1 78 ILE MD 4.500 . 4.500 2.614 2.295 2.985 . 0 0 "[ . 1 . 2]" 1
224 1 20 VAL MG2 1 78 ILE QG 6.000 . 6.000 3.054 2.708 3.491 . 0 0 "[ . 1 . 2]" 1
225 1 20 VAL H 1 20 VAL HB 3.500 . 3.500 2.633 2.557 2.714 . 0 0 "[ . 1 . 2]" 1
226 1 20 VAL H 1 72 TYR QD 6.000 . 6.000 3.041 2.512 3.721 . 0 0 "[ . 1 . 2]" 1
227 1 20 VAL H 1 72 TYR QE 6.000 . 6.000 4.269 3.543 4.768 . 0 0 "[ . 1 . 2]" 1
228 1 21 LEU HA 1 22 TYR H 2.800 . 2.800 2.358 2.336 2.367 . 0 0 "[ . 1 . 2]" 1
229 1 21 LEU HA 1 35 TYR H 5.000 . 5.000 4.874 4.617 5.011 0.011 15 0 "[ . 1 . 2]" 1
230 1 21 LEU QB 1 22 TYR H 3.500 . 3.500 2.476 2.469 2.525 . 0 0 "[ . 1 . 2]" 1
231 1 21 LEU QB 1 32 TYR QD 6.000 . 6.000 2.802 1.954 3.594 . 0 0 "[ . 1 . 2]" 1
232 1 21 LEU H 1 21 LEU MD1 5.500 . 5.500 3.910 3.827 4.017 . 0 0 "[ . 1 . 2]" 1
233 1 21 LEU MD1 1 22 TYR H 5.500 . 5.500 4.364 4.297 4.445 . 0 0 "[ . 1 . 2]" 1
234 1 21 LEU MD1 1 32 TYR QB 6.000 . 6.000 2.301 1.935 2.646 . 0 0 "[ . 1 . 2]" 1
235 1 21 LEU MD1 1 32 TYR QD 6.000 . 6.000 3.598 3.000 3.964 . 0 0 "[ . 1 . 2]" 1
236 1 21 LEU HA 1 21 LEU MD2 3.300 . 3.300 2.061 1.930 2.110 . 0 0 "[ . 1 . 2]" 1
237 1 21 LEU H 1 21 LEU MD2 4.000 . 4.000 3.335 3.331 3.340 . 0 0 "[ . 1 . 2]" 1
238 1 21 LEU MD2 1 22 TYR H 4.000 . 4.000 3.330 3.287 3.336 . 0 0 "[ . 1 . 2]" 1
239 1 21 LEU MD2 1 32 TYR QB 6.000 . 6.000 3.455 3.162 3.641 . 0 0 "[ . 1 . 2]" 1
240 1 21 LEU MD2 1 33 LYS H 5.500 . 5.500 3.999 3.529 4.399 . 0 0 "[ . 1 . 2]" 1
241 1 21 LEU MD2 1 34 ARG HA 4.000 . 4.000 3.229 2.850 3.338 . 0 0 "[ . 1 . 2]" 1
242 1 21 LEU MD2 1 34 ARG QB 6.000 . 6.000 2.943 2.178 3.646 . 0 0 "[ . 1 . 2]" 1
243 1 21 LEU MD2 1 34 ARG QD 5.500 . 5.500 3.120 2.145 3.908 . 0 0 "[ . 1 . 2]" 1
244 1 21 LEU MD2 1 34 ARG QG 5.500 . 5.500 2.944 1.834 4.082 . 0 0 "[ . 1 . 2]" 1
245 1 21 LEU MD2 1 34 ARG H 5.500 . 5.500 3.912 3.397 4.485 . 0 0 "[ . 1 . 2]" 1
246 1 21 LEU HG 1 22 TYR H 5.000 . 5.000 4.976 4.952 5.002 0.002 17 0 "[ . 1 . 2]" 1
247 1 21 LEU H 1 21 LEU HG 3.500 . 3.500 2.591 2.488 2.704 . 0 0 "[ . 1 . 2]" 1
248 1 22 TYR HA 1 23 GLY H 2.800 . 2.800 2.151 2.141 2.174 . 0 0 "[ . 1 . 2]" 1
249 1 22 TYR QB 1 23 GLY H 4.000 . 4.000 3.310 3.142 3.431 . 0 0 "[ . 1 . 2]" 1
250 1 22 TYR QB 1 24 VAL MG2 6.000 . 6.000 2.849 2.644 3.143 . 0 0 "[ . 1 . 2]" 1
251 1 22 TYR QB 1 33 LYS H 5.500 . 5.500 3.334 3.024 3.584 . 0 0 "[ . 1 . 2]" 1
252 1 22 TYR H 1 22 TYR QD 4.500 . 4.500 3.222 2.927 3.414 . 0 0 "[ . 1 . 2]" 1
253 1 22 TYR QD 1 23 GLY H 4.500 . 4.500 3.987 3.700 4.015 . 0 0 "[ . 1 . 2]" 1
254 1 22 TYR QD 1 24 VAL MG2 6.500 . 6.500 4.379 4.178 4.751 . 0 0 "[ . 1 . 2]" 1
255 1 22 TYR QD 1 34 ARG HA 5.500 . 5.500 3.335 2.744 3.888 . 0 0 "[ . 1 . 2]" 1
256 1 22 TYR QD 1 35 TYR H 6.000 . 6.000 3.740 3.289 4.282 . 0 0 "[ . 1 . 2]" 1
257 1 22 TYR QD 1 78 ILE MG 6.500 . 6.500 4.229 3.877 4.435 . 0 0 "[ . 1 . 2]" 1
258 1 22 TYR QD 1 85 LEU MD1 6.500 . 6.500 3.484 3.048 3.691 . 0 0 "[ . 1 . 2]" 1
259 1 22 TYR QE 1 78 ILE MG 5.000 . 5.000 2.659 2.105 2.983 . 0 0 "[ . 1 . 2]" 1
260 1 22 TYR QE 1 82 ARG H 6.000 . 6.000 3.331 2.994 3.593 . 0 0 "[ . 1 . 2]" 1
261 1 22 TYR H 1 22 TYR QB 3.500 . 3.500 2.504 2.429 2.572 . 0 0 "[ . 1 . 2]" 1
262 1 22 TYR H 1 32 TYR HA 3.500 . 3.500 3.493 3.393 3.512 0.012 8 0 "[ . 1 . 2]" 1
263 1 22 TYR H 1 32 TYR QD 6.000 . 6.000 3.527 2.713 4.231 . 0 0 "[ . 1 . 2]" 1
264 1 22 TYR H 1 33 LYS H 3.500 . 3.500 2.431 1.996 2.763 . 0 0 "[ . 1 . 2]" 1
265 1 23 GLY HA2 1 32 TYR HA 6.000 . 6.000 2.651 2.232 3.004 . 0 0 "[ . 1 . 2]" 1
266 1 23 GLY QA 1 24 VAL H 3.300 . 3.300 2.195 2.143 2.238 . 0 0 "[ . 1 . 2]" 1
267 1 23 GLY QA 1 32 TYR HA 5.000 . 5.000 2.625 2.214 2.968 . 0 0 "[ . 1 . 2]" 1
268 1 23 GLY QA 1 32 TYR QE 5.000 . 5.000 2.752 2.242 3.507 . 0 0 "[ . 1 . 2]" 1
269 1 23 GLY QA 1 33 LYS H 5.000 . 5.000 4.053 3.615 4.385 . 0 0 "[ . 1 . 2]" 1
270 1 23 GLY H 1 32 TYR QD 4.500 . 4.500 3.479 3.060 3.943 . 0 0 "[ . 1 . 2]" 1
271 1 23 GLY H 1 32 TYR QE 4.500 . 4.500 3.524 2.993 4.010 . 0 0 "[ . 1 . 2]" 1
272 1 24 VAL HA 1 25 SER H 2.800 . 2.800 2.133 2.122 2.145 . 0 0 "[ . 1 . 2]" 1
273 1 24 VAL HB 1 25 SER H 5.000 . 5.000 4.253 4.148 4.320 . 0 0 "[ . 1 . 2]" 1
274 1 24 VAL HB 1 31 LEU H 3.500 . 3.500 3.226 3.027 3.504 0.004 9 0 "[ . 1 . 2]" 1
275 1 24 VAL MG1 1 25 SER H 4.000 . 4.000 2.822 2.569 3.042 . 0 0 "[ . 1 . 2]" 1
276 1 24 VAL MG1 1 89 LEU MD1 3.800 . 3.800 2.477 2.221 2.637 . 0 0 "[ . 1 . 2]" 1
277 1 24 VAL H 1 24 VAL MG2 3.300 . 3.300 2.263 2.090 2.369 . 0 0 "[ . 1 . 2]" 1
278 1 24 VAL MG2 1 25 SER H 5.500 . 5.500 4.197 4.103 4.235 . 0 0 "[ . 1 . 2]" 1
279 1 24 VAL MG2 1 31 LEU QB 6.000 . 6.000 3.752 3.368 4.202 . 0 0 "[ . 1 . 2]" 1
280 1 24 VAL MG2 1 32 TYR HA 5.500 . 5.500 4.208 4.024 4.354 . 0 0 "[ . 1 . 2]" 1
281 1 24 VAL MG2 1 33 LYS QB 6.000 . 6.000 3.560 2.851 4.391 . 0 0 "[ . 1 . 2]" 1
282 1 24 VAL MG2 1 33 LYS H 5.500 . 5.500 3.772 3.424 4.187 . 0 0 "[ . 1 . 2]" 1
283 1 24 VAL MG2 1 85 LEU QB 6.000 . 6.000 3.421 3.039 3.773 . 0 0 "[ . 1 . 2]" 1
284 1 24 VAL H 1 24 VAL HB 3.500 . 3.500 2.610 2.577 2.646 . 0 0 "[ . 1 . 2]" 1
285 1 24 VAL H 1 32 TYR HA 3.500 . 3.500 3.477 3.365 3.512 0.012 16 0 "[ . 1 . 2]" 1
286 1 24 VAL H 1 32 TYR QD 6.000 . 6.000 4.621 4.123 4.987 . 0 0 "[ . 1 . 2]" 1
287 1 25 SER HA 1 26 THR MG 5.500 . 5.500 3.883 3.469 4.056 . 0 0 "[ . 1 . 2]" 1
288 1 25 SER HA 1 26 THR H 2.800 . 2.800 2.180 2.126 2.213 . 0 0 "[ . 1 . 2]" 1
289 1 25 SER QB 1 26 THR H 4.000 . 4.000 3.415 3.036 3.572 . 0 0 "[ . 1 . 2]" 1
290 1 26 THR HA 1 28 ASN H 5.000 . 5.000 4.206 4.170 4.247 . 0 0 "[ . 1 . 2]" 1
291 1 26 THR HB 1 28 ASN H 3.500 . 3.500 2.846 2.692 3.484 . 0 0 "[ . 1 . 2]" 1
292 1 26 THR MG 1 111 LEU MD1 4.500 . 4.500 3.051 2.277 3.134 . 0 0 "[ . 1 . 2]" 1
293 1 26 THR HA 1 26 THR MG 3.300 . 3.300 2.295 2.200 2.624 . 0 0 "[ . 1 . 2]" 1
294 1 26 THR H 1 26 THR MG 4.000 . 4.000 3.301 2.802 3.361 . 0 0 "[ . 1 . 2]" 1
295 1 26 THR MG 1 27 PRO QD 4.500 . 4.500 2.805 2.497 3.315 . 0 0 "[ . 1 . 2]" 1
296 1 26 THR MG 1 29 LYS H 5.500 . 5.500 4.497 4.396 4.587 . 0 0 "[ . 1 . 2]" 1
297 1 26 THR MG 1 89 LEU QB 6.000 . 6.000 4.151 3.442 4.460 . 0 0 "[ . 1 . 2]" 1
298 1 26 THR H 1 29 LYS HA 3.500 . 3.500 3.517 3.442 3.549 0.049 20 0 "[ . 1 . 2]" 1
299 1 26 THR H 1 29 LYS H 3.500 . 3.500 3.074 2.973 3.161 . 0 0 "[ . 1 . 2]" 1
300 1 26 THR H 1 31 LEU H 5.000 . 5.000 4.817 4.530 5.000 . 0 0 "[ . 1 . 2]" 1
301 1 27 PRO HA 1 28 ASN H 3.500 . 3.500 3.509 3.493 3.517 0.017 8 0 "[ . 1 . 2]" 1
302 1 27 PRO HA 1 29 LYS H 5.000 . 5.000 4.698 3.737 5.016 0.016 20 0 "[ . 1 . 2]" 1
303 1 27 PRO QB 1 28 ASN H 4.000 . 4.000 2.851 2.680 3.105 . 0 0 "[ . 1 . 2]" 1
304 1 27 PRO QD 1 28 ASN H 5.500 . 5.500 3.094 2.796 3.291 . 0 0 "[ . 1 . 2]" 1
305 1 27 PRO QG 1 28 ASN H 5.500 . 5.500 3.588 2.826 3.988 . 0 0 "[ . 1 . 2]" 1
306 1 28 ASN QB 1 29 LYS H 3.500 . 3.500 2.556 2.285 3.175 . 0 0 "[ . 1 . 2]" 1
307 1 28 ASN HA 1 28 ASN QD 4.000 . 4.000 2.847 2.001 3.388 . 0 0 "[ . 1 . 2]" 1
308 1 28 ASN H 1 28 ASN QB 3.500 . 3.500 2.235 2.123 2.518 . 0 0 "[ . 1 . 2]" 1
309 1 28 ASN H 1 29 LYS H 2.800 . 2.800 2.489 2.344 2.599 . 0 0 "[ . 1 . 2]" 1
310 1 29 LYS HA 1 30 ARG H 2.800 . 2.800 2.627 2.557 2.777 . 0 0 "[ . 1 . 2]" 1
311 1 29 LYS H 1 29 LYS QG 4.000 . 4.000 3.026 2.667 3.636 . 0 0 "[ . 1 . 2]" 1
312 1 30 ARG HA 1 31 LEU H 2.800 . 2.800 2.154 2.136 2.183 . 0 0 "[ . 1 . 2]" 1
313 1 30 ARG QB 1 31 LEU H 4.000 . 4.000 3.499 3.210 3.574 . 0 0 "[ . 1 . 2]" 1
314 1 30 ARG QD 1 31 LEU H 5.500 . 5.500 4.569 3.959 4.906 . 0 0 "[ . 1 . 2]" 1
315 1 30 ARG QB 1 30 ARG HE 5.000 . 5.000 3.420 1.973 4.224 . 0 0 "[ . 1 . 2]" 1
316 1 30 ARG HA 1 30 ARG QG 3.500 . 3.500 2.153 2.043 2.317 . 0 0 "[ . 1 . 2]" 1
317 1 30 ARG QG 1 31 LEU H 4.000 . 4.000 3.082 2.675 3.567 . 0 0 "[ . 1 . 2]" 1
318 1 31 LEU HA 1 32 TYR H 2.800 . 2.800 2.183 2.137 2.288 . 0 0 "[ . 1 . 2]" 1
319 1 31 LEU QB 1 32 TYR H 4.000 . 4.000 3.394 2.983 3.572 . 0 0 "[ . 1 . 2]" 1
320 1 31 LEU MD1 1 111 LEU HA 4.000 . 4.000 2.340 1.955 2.893 . 0 0 "[ . 1 . 2]" 1
321 1 31 LEU MD1 1 111 LEU QB 5.500 . 5.500 2.411 1.799 4.021 0.001 1 0 "[ . 1 . 2]" 1
322 1 31 LEU MD1 1 111 LEU MD1 5.500 . 5.500 2.901 2.068 3.823 . 0 0 "[ . 1 . 2]" 1
323 1 31 LEU MD1 1 112 GLN QB 5.500 . 5.500 3.670 2.721 4.082 . 0 0 "[ . 1 . 2]" 1
324 1 31 LEU MD1 1 112 GLN QE 5.500 . 5.500 3.420 2.305 4.082 . 0 0 "[ . 1 . 2]" 1
325 1 31 LEU MD1 1 112 GLN QG 5.000 . 5.000 3.311 2.220 3.711 . 0 0 "[ . 1 . 2]" 1
326 1 31 LEU MD1 1 112 GLN H 5.500 . 5.500 4.246 3.809 4.586 . 0 0 "[ . 1 . 2]" 1
327 1 31 LEU H 1 31 LEU MD1 5.500 . 5.500 4.112 3.377 4.383 . 0 0 "[ . 1 . 2]" 1
328 1 31 LEU MD2 1 111 LEU HA 5.500 . 5.500 2.678 2.034 3.780 . 0 0 "[ . 1 . 2]" 1
329 1 31 LEU MD2 1 111 LEU QB 5.500 . 5.500 3.239 2.579 3.566 . 0 0 "[ . 1 . 2]" 1
330 1 31 LEU MD2 1 111 LEU MD1 6.000 . 6.000 4.065 3.389 4.169 . 0 0 "[ . 1 . 2]" 1
331 1 31 LEU MD2 1 112 GLN QB 5.500 . 5.500 3.123 1.916 4.021 . 0 0 "[ . 1 . 2]" 1
332 1 31 LEU MD2 1 112 GLN QE 5.000 . 5.000 2.426 1.824 3.697 . 0 0 "[ . 1 . 2]" 1
333 1 31 LEU MD2 1 112 GLN QG 4.500 . 4.500 2.660 2.063 3.343 . 0 0 "[ . 1 . 2]" 1
334 1 31 LEU MD2 1 112 GLN H 5.500 . 5.500 4.284 3.868 4.586 . 0 0 "[ . 1 . 2]" 1
335 1 31 LEU HA 1 31 LEU MD2 3.300 . 3.300 2.474 1.924 2.761 . 0 0 "[ . 1 . 2]" 1
336 1 31 LEU MD2 1 32 TYR H 4.000 . 4.000 2.695 2.233 3.334 . 0 0 "[ . 1 . 2]" 1
337 1 31 LEU H 1 31 LEU MD2 5.500 . 5.500 4.336 3.766 4.597 . 0 0 "[ . 1 . 2]" 1
338 1 32 TYR HA 1 33 LYS H 2.800 . 2.800 2.148 2.133 2.183 . 0 0 "[ . 1 . 2]" 1
339 1 32 TYR QB 1 33 LYS H 5.500 . 5.500 3.354 3.045 3.536 . 0 0 "[ . 1 . 2]" 1
340 1 32 TYR H 1 32 TYR QD 4.000 . 4.000 3.210 2.556 3.565 . 0 0 "[ . 1 . 2]" 1
341 1 32 TYR QD 1 33 LYS H 5.500 . 5.500 3.777 3.082 4.418 . 0 0 "[ . 1 . 2]" 1
342 1 32 TYR H 1 32 TYR QB 3.500 . 3.500 2.362 2.182 2.495 . 0 0 "[ . 1 . 2]" 1
343 1 33 LYS HA 1 34 ARG H 2.800 . 2.800 2.484 2.286 2.535 . 0 0 "[ . 1 . 2]" 1
344 1 33 LYS QB 1 34 ARG H 3.500 . 3.500 2.365 2.136 2.829 . 0 0 "[ . 1 . 2]" 1
345 1 33 LYS QD 1 110 PHE HZ 5.500 . 5.500 3.764 2.772 4.906 . 0 0 "[ . 1 . 2]" 1
346 1 33 LYS QD 1 34 ARG H 5.500 . 5.500 3.976 2.047 4.908 . 0 0 "[ . 1 . 2]" 1
347 1 33 LYS QG 1 34 ARG H 5.500 . 5.500 3.473 1.949 4.254 . 0 0 "[ . 1 . 2]" 1
348 1 33 LYS H 1 33 LYS QB 3.500 . 3.500 2.776 2.478 3.130 . 0 0 "[ . 1 . 2]" 1
349 1 33 LYS H 1 33 LYS QG 5.000 . 5.000 3.155 1.967 4.220 . 0 0 "[ . 1 . 2]" 1
350 1 34 ARG HA 1 35 TYR H 2.800 . 2.800 2.319 2.230 2.402 . 0 0 "[ . 1 . 2]" 1
351 1 34 ARG H 1 37 GLU H 5.000 . 5.000 3.891 3.723 4.213 . 0 0 "[ . 1 . 2]" 1
352 1 35 TYR HA 1 38 PHE QD 6.000 . 6.000 3.481 2.334 4.356 . 0 0 "[ . 1 . 2]" 1
353 1 35 TYR HA 1 85 LEU MD1 5.500 . 5.500 3.764 2.925 4.436 . 0 0 "[ . 1 . 2]" 1
354 1 35 TYR QB 1 36 SER H 4.000 . 4.000 2.384 2.125 2.716 . 0 0 "[ . 1 . 2]" 1
355 1 35 TYR QD 1 37 GLU H 6.000 . 6.000 5.346 5.295 5.365 . 0 0 "[ . 1 . 2]" 1
356 1 35 TYR QD 1 85 LEU MD1 5.000 . 5.000 3.083 1.958 3.622 . 0 0 "[ . 1 . 2]" 1
357 1 35 TYR QD 1 85 LEU MD2 4.500 . 4.500 2.936 1.960 3.340 . 0 0 "[ . 1 . 2]" 1
358 1 35 TYR QE 1 85 LEU MD1 6.000 . 6.000 4.006 2.705 4.454 . 0 0 "[ . 1 . 2]" 1
359 1 35 TYR QE 1 85 LEU MD2 5.000 . 5.000 3.041 2.283 3.711 . 0 0 "[ . 1 . 2]" 1
360 1 35 TYR H 1 35 TYR QB 3.300 . 3.300 2.212 2.111 2.251 . 0 0 "[ . 1 . 2]" 1
361 1 35 TYR H 1 36 SER H 3.500 . 3.500 2.811 2.725 2.954 . 0 0 "[ . 1 . 2]" 1
362 1 36 SER HA 1 39 TRP QB 5.500 . 5.500 3.001 2.749 3.535 . 0 0 "[ . 1 . 2]" 1
363 1 36 SER H 1 37 GLU H 3.500 . 3.500 2.680 2.639 2.728 . 0 0 "[ . 1 . 2]" 1
364 1 37 GLU HA 1 40 LYS H 3.500 . 3.500 3.465 3.336 3.538 0.038 11 0 "[ . 1 . 2]" 1
365 1 37 GLU H 1 38 PHE H 3.500 . 3.500 2.575 2.361 2.734 . 0 0 "[ . 1 . 2]" 1
366 1 38 PHE HA 1 110 PHE HZ 5.000 . 5.000 2.392 1.989 3.106 . 0 0 "[ . 1 . 2]" 1
367 1 38 PHE HA 1 41 LEU H 3.500 . 3.500 3.519 3.503 3.541 0.041 17 0 "[ . 1 . 2]" 1
368 1 38 PHE HA 1 42 LYS H 5.000 . 5.000 4.541 4.341 4.807 . 0 0 "[ . 1 . 2]" 1
369 1 38 PHE QB 1 39 TRP H 5.500 . 5.500 2.525 2.377 2.757 . 0 0 "[ . 1 . 2]" 1
370 1 38 PHE QB 1 85 LEU MD2 4.500 . 4.500 2.673 2.521 2.932 . 0 0 "[ . 1 . 2]" 1
371 1 38 PHE QD 1 110 PHE HZ 6.000 . 6.000 2.835 2.577 3.080 . 0 0 "[ . 1 . 2]" 1
372 1 38 PHE H 1 38 PHE QD 4.000 . 4.000 3.194 2.737 3.468 . 0 0 "[ . 1 . 2]" 1
373 1 38 PHE QD 1 57 PHE QE 7.000 . 7.000 3.137 1.991 4.737 . 0 0 "[ . 1 . 2]" 1
374 1 38 PHE QD 1 85 LEU MD1 6.500 . 6.500 3.134 2.502 3.805 . 0 0 "[ . 1 . 2]" 1
375 1 38 PHE QD 1 85 LEU MD2 6.500 . 6.500 2.520 2.312 2.690 . 0 0 "[ . 1 . 2]" 1
376 1 38 PHE QE 1 110 PHE HZ 6.000 . 6.000 3.202 2.805 3.571 . 0 0 "[ . 1 . 2]" 1
377 1 38 PHE QE 1 85 LEU MD1 5.000 . 5.000 2.918 2.247 3.546 . 0 0 "[ . 1 . 2]" 1
378 1 38 PHE QE 1 85 LEU MD2 6.500 . 6.500 2.932 2.595 3.189 . 0 0 "[ . 1 . 2]" 1
379 1 38 PHE QE 1 89 LEU HG 4.000 . 4.000 2.974 2.339 3.567 . 0 0 "[ . 1 . 2]" 1
380 1 38 PHE H 1 39 TRP H 3.500 . 3.500 2.788 2.517 2.978 . 0 0 "[ . 1 . 2]" 1
381 1 38 PHE H 1 85 LEU MD2 5.500 . 5.500 4.541 4.265 4.587 . 0 0 "[ . 1 . 2]" 1
382 1 38 PHE HZ 1 85 LEU MD2 5.500 . 5.500 3.578 3.098 4.165 . 0 0 "[ . 1 . 2]" 1
383 1 38 PHE HZ 1 88 PHE QD 5.500 . 5.500 4.284 3.649 4.900 . 0 0 "[ . 1 . 2]" 1
384 1 38 PHE HZ 1 89 LEU HG 3.500 . 3.500 2.640 1.993 3.469 . 0 0 "[ . 1 . 2]" 1
385 1 39 TRP HA 1 57 PHE QE 6.000 . 6.000 3.582 2.461 4.209 . 0 0 "[ . 1 . 2]" 1
386 1 39 TRP HA 1 57 PHE HZ 5.500 . 5.500 3.919 2.151 5.020 . 0 0 "[ . 1 . 2]" 1
387 1 39 TRP H 1 39 TRP QB 3.500 . 3.500 2.247 2.232 2.260 . 0 0 "[ . 1 . 2]" 1
388 1 39 TRP QB 1 40 LYS H 3.500 . 3.500 2.740 2.460 2.880 . 0 0 "[ . 1 . 2]" 1
389 1 39 TRP QB 1 57 PHE HZ 4.000 . 4.000 3.233 2.145 3.568 . 0 0 "[ . 1 . 2]" 1
390 1 39 TRP HD1 1 43 THR MG 5.500 . 5.500 3.672 2.962 3.957 . 0 0 "[ . 1 . 2]" 1
391 1 39 TRP HD1 1 59 GLU QG 5.500 . 5.500 4.681 4.343 4.909 . 0 0 "[ . 1 . 2]" 1
392 1 39 TRP HE1 1 43 THR MG 4.000 . 4.000 3.291 2.898 3.342 . 0 0 "[ . 1 . 2]" 1
393 1 39 TRP HE3 1 57 PHE QD 5.500 . 5.500 2.804 2.110 3.853 . 0 0 "[ . 1 . 2]" 1
394 1 39 TRP HE3 1 57 PHE QE 4.500 . 4.500 3.353 2.350 3.946 . 0 0 "[ . 1 . 2]" 1
395 1 39 TRP HE3 1 57 PHE HZ 5.000 . 5.000 4.372 2.452 5.010 0.010 12 0 "[ . 1 . 2]" 1
396 1 39 TRP HH2 1 59 GLU QG 5.500 . 5.500 3.589 2.786 4.707 . 0 0 "[ . 1 . 2]" 1
397 1 39 TRP H 1 40 LYS H 3.500 . 3.500 2.666 2.602 2.724 . 0 0 "[ . 1 . 2]" 1
398 1 39 TRP H 1 57 PHE QE 6.000 . 6.000 3.561 2.797 4.057 . 0 0 "[ . 1 . 2]" 1
399 1 39 TRP H 1 57 PHE HZ 5.000 . 5.000 3.209 2.255 4.412 . 0 0 "[ . 1 . 2]" 1
400 1 39 TRP HZ2 1 43 THR MG 5.500 . 5.500 4.382 3.929 4.591 . 0 0 "[ . 1 . 2]" 1
401 1 39 TRP HZ2 1 59 GLU QG 5.500 . 5.500 3.529 2.073 4.492 . 0 0 "[ . 1 . 2]" 1
402 1 39 TRP HZ3 1 57 PHE QD 5.500 . 5.500 3.672 2.563 4.912 . 0 0 "[ . 1 . 2]" 1
403 1 39 TRP HZ3 1 59 GLU QG 5.500 . 5.500 3.530 2.842 4.266 . 0 0 "[ . 1 . 2]" 1
404 1 40 LYS HA 1 42 LYS H 5.000 . 5.000 4.315 4.031 4.552 . 0 0 "[ . 1 . 2]" 1
405 1 40 LYS HA 1 43 THR MG 4.000 . 4.000 2.832 2.475 3.158 . 0 0 "[ . 1 . 2]" 1
406 1 40 LYS H 1 40 LYS QB 3.300 . 3.300 2.172 2.040 2.645 . 0 0 "[ . 1 . 2]" 1
407 1 40 LYS H 1 40 LYS QG 4.000 . 4.000 3.000 1.917 3.568 . 0 0 "[ . 1 . 2]" 1
408 1 40 LYS H 1 41 LEU H 3.500 . 3.500 2.657 2.567 2.779 . 0 0 "[ . 1 . 2]" 1
409 1 41 LEU HA 1 45 LEU H 5.000 . 5.000 4.051 3.848 4.388 . 0 0 "[ . 1 . 2]" 1
410 1 41 LEU QB 1 42 LYS H 4.000 . 4.000 2.800 2.631 2.979 . 0 0 "[ . 1 . 2]" 1
411 1 41 LEU MD1 1 106 ILE MD 4.500 . 4.500 1.921 1.744 2.176 0.056 15 0 "[ . 1 . 2]" 1
412 1 41 LEU MD1 1 106 ILE MG 6.000 . 6.000 3.310 3.107 3.867 . 0 0 "[ . 1 . 2]" 1
413 1 41 LEU MD1 1 107 ALA HA 4.000 . 4.000 2.463 2.098 2.726 . 0 0 "[ . 1 . 2]" 1
414 1 41 LEU MD1 1 107 ALA MB 4.500 . 4.500 3.101 2.873 3.126 . 0 0 "[ . 1 . 2]" 1
415 1 41 LEU MD1 1 107 ALA H 5.500 . 5.500 3.267 3.010 3.568 . 0 0 "[ . 1 . 2]" 1
416 1 41 LEU MD1 1 110 PHE QB 5.500 . 5.500 2.769 2.351 3.229 . 0 0 "[ . 1 . 2]" 1
417 1 41 LEU MD1 1 110 PHE H 5.500 . 5.500 4.035 3.701 4.275 . 0 0 "[ . 1 . 2]" 1
418 1 41 LEU HA 1 41 LEU MD1 3.300 . 3.300 2.168 1.934 2.369 . 0 0 "[ . 1 . 2]" 1
419 1 41 LEU MD1 1 42 LYS H 5.500 . 5.500 4.581 4.540 4.597 . 0 0 "[ . 1 . 2]" 1
420 1 41 LEU MD1 1 45 LEU MD1 5.000 . 5.000 2.978 2.602 3.333 . 0 0 "[ . 1 . 2]" 1
421 1 41 LEU MD1 1 45 LEU MD2 6.000 . 6.000 2.312 1.937 2.949 . 0 0 "[ . 1 . 2]" 1
422 1 41 LEU MD1 1 45 LEU H 5.500 . 5.500 3.681 3.472 4.296 . 0 0 "[ . 1 . 2]" 1
423 1 41 LEU MD2 1 93 TYR QE 6.500 . 6.500 4.495 3.994 4.826 . 0 0 "[ . 1 . 2]" 1
424 1 41 LEU MD2 1 106 ILE MD 6.000 . 6.000 4.029 3.603 4.161 . 0 0 "[ . 1 . 2]" 1
425 1 41 LEU MD2 1 107 ALA HA 6.000 . 6.000 2.693 1.998 3.051 . 0 0 "[ . 1 . 2]" 1
426 1 41 LEU MD2 1 107 ALA MB 6.000 . 6.000 3.352 2.868 3.769 . 0 0 "[ . 1 . 2]" 1
427 1 41 LEU MD2 1 110 PHE QB 5.500 . 5.500 2.324 1.943 2.656 . 0 0 "[ . 1 . 2]" 1
428 1 41 LEU MD2 1 110 PHE QD 5.000 . 5.000 2.593 2.222 2.822 . 0 0 "[ . 1 . 2]" 1
429 1 41 LEU MD2 1 110 PHE QE 6.000 . 6.000 2.940 2.564 3.361 . 0 0 "[ . 1 . 2]" 1
430 1 41 LEU MD2 1 110 PHE H 5.500 . 5.500 4.358 3.890 4.587 . 0 0 "[ . 1 . 2]" 1
431 1 41 LEU MD2 1 110 PHE HZ 5.500 . 5.500 3.513 3.014 4.022 . 0 0 "[ . 1 . 2]" 1
432 1 41 LEU H 1 41 LEU MD2 5.500 . 5.500 4.192 4.132 4.254 . 0 0 "[ . 1 . 2]" 1
433 1 41 LEU MD2 1 42 LYS H 5.500 . 5.500 4.387 4.209 4.584 . 0 0 "[ . 1 . 2]" 1
434 1 41 LEU MD2 1 45 LEU MD1 4.500 . 4.500 2.697 2.190 3.121 . 0 0 "[ . 1 . 2]" 1
435 1 41 LEU MD2 1 45 LEU MD2 6.000 . 6.000 3.514 3.097 4.166 . 0 0 "[ . 1 . 2]" 1
436 1 41 LEU MD2 1 88 PHE QE 4.500 . 4.500 2.580 2.046 3.130 . 0 0 "[ . 1 . 2]" 1
437 1 41 LEU MD2 1 88 PHE HZ 6.000 . 6.000 3.968 3.662 4.308 . 0 0 "[ . 1 . 2]" 1
438 1 41 LEU H 1 41 LEU QB 2.800 . 2.800 2.240 2.192 2.282 . 0 0 "[ . 1 . 2]" 1
439 1 41 LEU H 1 42 LYS H 3.500 . 3.500 2.404 2.234 2.763 . 0 0 "[ . 1 . 2]" 1
440 1 42 LYS HA 1 43 THR H 5.000 . 5.000 3.559 3.553 3.568 . 0 0 "[ . 1 . 2]" 1
441 1 42 LYS HA 1 45 LEU H 5.500 . 5.500 3.961 3.653 4.106 . 0 0 "[ . 1 . 2]" 1
442 1 42 LYS HA 1 46 GLU H 5.000 . 5.000 4.768 4.536 4.871 . 0 0 "[ . 1 . 2]" 1
443 1 42 LYS QB 1 43 THR MG 4.500 . 4.500 3.343 3.291 3.356 . 0 0 "[ . 1 . 2]" 1
444 1 42 LYS QB 1 43 THR H 3.500 . 3.500 1.955 1.905 2.094 . 0 0 "[ . 1 . 2]" 1
445 1 42 LYS QD 1 43 THR H 5.500 . 5.500 4.085 3.696 4.632 . 0 0 "[ . 1 . 2]" 1
446 1 42 LYS QD 1 53 ILE MG 4.500 . 4.500 2.279 1.685 3.310 0.115 13 0 "[ . 1 . 2]" 1
447 1 42 LYS QE 1 43 THR MG 6.000 . 6.000 4.370 4.218 4.453 . 0 0 "[ . 1 . 2]" 1
448 1 42 LYS QE 1 53 ILE MG 5.000 . 5.000 2.756 1.852 3.604 . 0 0 "[ . 1 . 2]" 1
449 1 42 LYS QE 1 57 PHE QD 7.000 . 7.000 4.184 2.500 5.094 . 0 0 "[ . 1 . 2]" 1
450 1 42 LYS QG 1 57 PHE QD 6.500 . 6.500 3.362 1.940 5.034 . 0 0 "[ . 1 . 2]" 1
451 1 42 LYS H 1 42 LYS QB 2.800 . 2.800 2.045 2.035 2.055 . 0 0 "[ . 1 . 2]" 1
452 1 42 LYS H 1 42 LYS QG 4.000 . 4.000 3.554 3.445 3.573 . 0 0 "[ . 1 . 2]" 1
453 1 42 LYS H 1 43 THR MG 5.500 . 5.500 3.747 3.577 3.900 . 0 0 "[ . 1 . 2]" 1
454 1 42 LYS H 1 43 THR H 3.500 . 3.500 3.119 2.922 3.183 . 0 0 "[ . 1 . 2]" 1
455 1 43 THR HA 1 46 GLU H 3.500 . 3.500 3.521 3.505 3.536 0.036 11 0 "[ . 1 . 2]" 1
456 1 43 THR HA 1 53 ILE MG 5.500 . 5.500 4.451 4.130 4.590 . 0 0 "[ . 1 . 2]" 1
457 1 43 THR HB 1 44 ARG H 5.000 . 5.000 4.202 4.133 4.276 . 0 0 "[ . 1 . 2]" 1
458 1 43 THR H 1 43 THR MG 3.300 . 3.300 1.933 1.869 2.024 . 0 0 "[ . 1 . 2]" 1
459 1 43 THR MG 1 44 ARG QB 6.000 . 6.000 3.741 3.286 4.253 . 0 0 "[ . 1 . 2]" 1
460 1 43 THR MG 1 44 ARG QD 6.000 . 6.000 3.912 2.948 4.370 . 0 0 "[ . 1 . 2]" 1
461 1 43 THR MG 1 44 ARG H 4.000 . 4.000 2.262 2.137 2.486 . 0 0 "[ . 1 . 2]" 1
462 1 43 THR H 1 43 THR HB 2.800 . 2.800 2.765 2.645 2.807 0.007 17 0 "[ . 1 . 2]" 1
463 1 43 THR H 1 44 ARG H 3.500 . 3.500 2.831 2.702 2.930 . 0 0 "[ . 1 . 2]" 1
464 1 44 ARG HA 1 45 LEU H 5.000 . 5.000 3.562 3.550 3.573 . 0 0 "[ . 1 . 2]" 1
465 1 44 ARG QB 1 106 ILE MD 3.800 . 3.800 1.775 1.670 1.899 0.130 6 0 "[ . 1 . 2]" 1
466 1 44 ARG QB 1 106 ILE MG 4.500 . 4.500 2.739 2.117 3.278 . 0 0 "[ . 1 . 2]" 1
467 1 44 ARG QB 1 45 LEU H 3.300 . 3.300 2.069 2.000 2.184 . 0 0 "[ . 1 . 2]" 1
468 1 44 ARG QD 1 106 ILE MD 6.000 . 6.000 3.615 3.275 3.904 . 0 0 "[ . 1 . 2]" 1
469 1 44 ARG QD 1 106 ILE MG 6.000 . 6.000 3.163 2.268 3.708 . 0 0 "[ . 1 . 2]" 1
470 1 44 ARG QG 1 45 LEU H 4.000 . 4.000 3.588 3.468 3.619 . 0 0 "[ . 1 . 2]" 1
471 1 44 ARG H 1 106 ILE MD 5.000 . 5.000 4.018 3.873 4.154 . 0 0 "[ . 1 . 2]" 1
472 1 44 ARG H 1 44 ARG QB 3.300 . 3.300 2.381 2.146 2.666 . 0 0 "[ . 1 . 2]" 1
473 1 44 ARG H 1 45 LEU H 3.500 . 3.500 2.889 2.722 2.990 . 0 0 "[ . 1 . 2]" 1
474 1 44 ARG H 1 46 GLU H 5.000 . 5.000 3.908 3.799 3.989 . 0 0 "[ . 1 . 2]" 1
475 1 45 LEU HA 1 106 ILE MD 4.000 . 4.000 2.080 1.895 2.521 . 0 0 "[ . 1 . 2]" 1
476 1 45 LEU HA 1 48 ASP QB 4.000 . 4.000 2.371 2.049 2.724 . 0 0 "[ . 1 . 2]" 1
477 1 45 LEU HA 1 49 VAL MG2 4.000 . 4.000 2.409 2.215 2.578 . 0 0 "[ . 1 . 2]" 1
478 1 45 LEU HA 1 49 VAL H 5.000 . 5.000 3.085 2.819 3.287 . 0 0 "[ . 1 . 2]" 1
479 1 45 LEU QB 1 101 TRP HE3 5.000 . 5.000 1.964 1.875 2.219 . 0 0 "[ . 1 . 2]" 1
480 1 45 LEU QB 1 46 GLU H 4.000 . 4.000 2.733 2.650 2.836 . 0 0 "[ . 1 . 2]" 1
481 1 45 LEU QB 1 53 ILE MD 4.500 . 4.500 2.865 2.567 3.085 . 0 0 "[ . 1 . 2]" 1
482 1 45 LEU QB 1 53 ILE MG 6.000 . 6.000 4.406 4.055 4.459 . 0 0 "[ . 1 . 2]" 1
483 1 45 LEU MD1 1 101 TRP HA 5.500 . 5.500 3.955 3.548 4.368 . 0 0 "[ . 1 . 2]" 1
484 1 45 LEU MD1 1 101 TRP QB 5.500 . 5.500 3.231 2.931 3.543 . 0 0 "[ . 1 . 2]" 1
485 1 45 LEU MD1 1 101 TRP HE3 5.500 . 5.500 2.611 1.968 3.215 . 0 0 "[ . 1 . 2]" 1
486 1 45 LEU MD1 1 107 ALA HA 5.500 . 5.500 4.505 4.316 4.588 . 0 0 "[ . 1 . 2]" 1
487 1 45 LEU H 1 45 LEU MD1 4.000 . 4.000 3.257 3.081 3.343 . 0 0 "[ . 1 . 2]" 1
488 1 45 LEU MD1 1 46 GLU H 5.500 . 5.500 4.406 4.174 4.579 . 0 0 "[ . 1 . 2]" 1
489 1 45 LEU MD1 1 88 PHE QE 6.500 . 6.500 2.938 2.512 3.300 . 0 0 "[ . 1 . 2]" 1
490 1 45 LEU MD1 1 88 PHE HZ 5.500 . 5.500 2.555 2.305 3.065 . 0 0 "[ . 1 . 2]" 1
491 1 45 LEU MD1 1 92 LEU MD1 4.500 . 4.500 2.291 2.028 2.604 . 0 0 "[ . 1 . 2]" 1
492 1 45 LEU MD1 1 92 LEU MD2 6.000 . 6.000 3.776 3.329 4.082 . 0 0 "[ . 1 . 2]" 1
493 1 45 LEU MD2 1 101 TRP HA 5.500 . 5.500 2.751 2.425 3.124 . 0 0 "[ . 1 . 2]" 1
494 1 45 LEU MD2 1 101 TRP QB 5.500 . 5.500 3.253 2.971 3.579 . 0 0 "[ . 1 . 2]" 1
495 1 45 LEU MD2 1 101 TRP HE3 5.500 . 5.500 2.880 2.674 3.131 . 0 0 "[ . 1 . 2]" 1
496 1 45 LEU MD2 1 104 THR HB 5.500 . 5.500 2.658 2.487 2.824 . 0 0 "[ . 1 . 2]" 1
497 1 45 LEU MD2 1 104 THR MG 4.500 . 4.500 2.553 2.253 2.896 . 0 0 "[ . 1 . 2]" 1
498 1 45 LEU MD2 1 104 THR H 5.500 . 5.500 4.075 3.842 4.253 . 0 0 "[ . 1 . 2]" 1
499 1 45 LEU MD2 1 106 ILE H 5.500 . 5.500 4.313 4.137 4.482 . 0 0 "[ . 1 . 2]" 1
500 1 45 LEU MD2 1 107 ALA MB 4.500 . 4.500 2.512 2.232 2.860 . 0 0 "[ . 1 . 2]" 1
501 1 45 LEU MD2 1 107 ALA H 4.000 . 4.000 3.220 3.089 3.346 . 0 0 "[ . 1 . 2]" 1
502 1 45 LEU HA 1 45 LEU MD2 3.300 . 3.300 2.227 2.084 2.467 . 0 0 "[ . 1 . 2]" 1
503 1 45 LEU H 1 45 LEU MD2 4.000 . 4.000 3.349 3.331 3.375 . 0 0 "[ . 1 . 2]" 1
504 1 45 LEU MD2 1 48 ASP QB 6.000 . 6.000 3.482 3.217 3.769 . 0 0 "[ . 1 . 2]" 1
505 1 45 LEU MD2 1 49 VAL MG2 4.500 . 4.500 2.659 2.389 2.869 . 0 0 "[ . 1 . 2]" 1
506 1 45 LEU MD2 1 92 LEU MD2 6.000 . 6.000 3.720 3.248 4.140 . 0 0 "[ . 1 . 2]" 1
507 1 45 LEU H 1 106 ILE MD 4.000 . 4.000 2.313 2.136 2.460 . 0 0 "[ . 1 . 2]" 1
508 1 45 LEU H 1 106 ILE MG 5.500 . 5.500 4.600 4.584 4.618 . 0 0 "[ . 1 . 2]" 1
509 1 45 LEU H 1 45 LEU HG 3.500 . 3.500 1.947 1.828 2.016 . 0 0 "[ . 1 . 2]" 1
510 1 45 LEU H 1 46 GLU H 2.800 . 2.800 2.822 2.792 2.840 0.040 14 0 "[ . 1 . 2]" 1
511 1 46 GLU HA 1 101 TRP HH2 5.000 . 5.000 3.719 2.914 4.188 . 0 0 "[ . 1 . 2]" 1
512 1 46 GLU HA 1 101 TRP HZ3 5.000 . 5.000 3.154 2.686 3.696 . 0 0 "[ . 1 . 2]" 1
513 1 46 GLU HA 1 49 VAL MG2 5.500 . 5.500 4.353 4.257 4.570 . 0 0 "[ . 1 . 2]" 1
514 1 46 GLU HA 1 50 GLY H 5.000 . 5.000 3.540 3.349 3.790 . 0 0 "[ . 1 . 2]" 1
515 1 46 GLU HA 1 51 SER H 5.000 . 5.000 3.491 2.944 4.001 . 0 0 "[ . 1 . 2]" 1
516 1 46 GLU QB 1 47 ARG H 3.300 . 3.300 2.560 2.351 2.735 . 0 0 "[ . 1 . 2]" 1
517 1 46 GLU QB 1 53 ILE H 5.500 . 5.500 4.613 4.379 4.904 . 0 0 "[ . 1 . 2]" 1
518 1 46 GLU QG 1 53 ILE MG 6.000 . 6.000 2.633 2.298 2.931 . 0 0 "[ . 1 . 2]" 1
519 1 46 GLU QG 1 53 ILE H 4.000 . 4.000 2.696 2.276 3.376 . 0 0 "[ . 1 . 2]" 1
520 1 46 GLU H 1 106 ILE MD 5.500 . 5.500 4.342 4.182 4.592 . 0 0 "[ . 1 . 2]" 1
521 1 46 GLU H 1 46 GLU QB 3.500 . 3.500 2.274 2.087 2.527 . 0 0 "[ . 1 . 2]" 1
522 1 46 GLU H 1 46 GLU QG 3.500 . 3.500 2.682 2.155 3.117 . 0 0 "[ . 1 . 2]" 1
523 1 46 GLU H 1 47 ARG H 2.800 . 2.800 2.681 2.576 2.805 0.005 8 0 "[ . 1 . 2]" 1
524 1 46 GLU H 1 48 ASP H 5.000 . 5.000 3.711 3.619 3.802 . 0 0 "[ . 1 . 2]" 1
525 1 46 GLU H 1 49 VAL MG2 5.500 . 5.500 4.563 4.446 4.585 . 0 0 "[ . 1 . 2]" 1
526 1 46 GLU H 1 53 ILE MD 6.000 . 6.000 4.917 4.584 5.007 . 0 0 "[ . 1 . 2]" 1
527 1 47 ARG QB 1 48 ASP H 4.000 . 4.000 3.210 2.937 3.594 . 0 0 "[ . 1 . 2]" 1
528 1 47 ARG H 1 47 ARG QD 5.500 . 5.500 3.933 3.459 4.290 . 0 0 "[ . 1 . 2]" 1
529 1 47 ARG QG 1 48 ASP H 4.500 . 4.500 3.520 2.215 4.018 . 0 0 "[ . 1 . 2]" 1
530 1 47 ARG H 1 47 ARG QB 3.300 . 3.300 2.624 2.535 2.865 . 0 0 "[ . 1 . 2]" 1
531 1 47 ARG H 1 47 ARG QG 4.000 . 4.000 2.131 1.904 2.306 . 0 0 "[ . 1 . 2]" 1
532 1 47 ARG H 1 48 ASP H 2.800 . 2.800 2.316 2.254 2.485 . 0 0 "[ . 1 . 2]" 1
533 1 47 ARG H 1 49 VAL H 5.000 . 5.000 4.051 3.947 4.273 . 0 0 "[ . 1 . 2]" 1
534 1 48 ASP HA 1 49 VAL MG2 5.500 . 5.500 4.583 4.539 4.594 . 0 0 "[ . 1 . 2]" 1
535 1 48 ASP HA 1 50 GLY H 5.000 . 5.000 4.556 4.456 4.616 . 0 0 "[ . 1 . 2]" 1
536 1 48 ASP QB 1 104 THR MG 4.500 . 4.500 2.033 1.841 2.219 . 0 0 "[ . 1 . 2]" 1
537 1 48 ASP QB 1 106 ILE MD 4.500 . 4.500 2.608 2.215 3.133 . 0 0 "[ . 1 . 2]" 1
538 1 48 ASP QB 1 49 VAL MG2 4.500 . 4.500 2.649 2.486 2.831 . 0 0 "[ . 1 . 2]" 1
539 1 48 ASP QB 1 49 VAL H 3.500 . 3.500 2.632 2.452 2.783 . 0 0 "[ . 1 . 2]" 1
540 1 48 ASP QB 1 50 GLY H 5.500 . 5.500 4.502 4.402 4.571 . 0 0 "[ . 1 . 2]" 1
541 1 48 ASP H 1 104 THR MG 5.500 . 5.500 4.460 4.240 4.597 . 0 0 "[ . 1 . 2]" 1
542 1 48 ASP H 1 106 ILE MD 5.500 . 5.500 4.157 3.715 4.595 . 0 0 "[ . 1 . 2]" 1
543 1 48 ASP H 1 48 ASP QB 3.300 . 3.300 2.212 2.142 2.291 . 0 0 "[ . 1 . 2]" 1
544 1 48 ASP H 1 49 VAL MG2 5.500 . 5.500 3.835 3.746 4.008 . 0 0 "[ . 1 . 2]" 1
545 1 48 ASP H 1 49 VAL H 3.500 . 3.500 2.354 2.283 2.467 . 0 0 "[ . 1 . 2]" 1
546 1 48 ASP H 1 50 GLY H 3.500 . 3.500 3.521 3.511 3.543 0.043 20 0 "[ . 1 . 2]" 1
547 1 49 VAL HA 1 104 THR MG 5.500 . 5.500 3.739 3.587 3.856 . 0 0 "[ . 1 . 2]" 1
548 1 49 VAL HA 1 50 GLY H 5.000 . 5.000 3.492 3.474 3.500 . 0 0 "[ . 1 . 2]" 1
549 1 49 VAL HA 1 51 SER H 5.000 . 5.000 4.390 4.202 4.619 . 0 0 "[ . 1 . 2]" 1
550 1 49 VAL HB 1 101 TRP HZ3 5.000 . 5.000 3.265 2.714 3.939 . 0 0 "[ . 1 . 2]" 1
551 1 49 VAL HB 1 50 GLY H 3.500 . 3.500 2.815 2.780 2.860 . 0 0 "[ . 1 . 2]" 1
552 1 49 VAL HB 1 51 SER H 3.500 . 3.500 2.465 2.376 2.549 . 0 0 "[ . 1 . 2]" 1
553 1 49 VAL MG1 1 100 ARG QB 6.000 . 6.000 2.034 1.809 2.234 . 0 0 "[ . 1 . 2]" 1
554 1 49 VAL MG1 1 100 ARG QD 6.000 . 6.000 3.176 2.637 3.948 . 0 0 "[ . 1 . 2]" 1
555 1 49 VAL MG1 1 100 ARG HE 5.500 . 5.500 3.205 1.857 4.375 . 0 0 "[ . 1 . 2]" 1
556 1 49 VAL MG1 1 100 ARG QG 6.000 . 6.000 3.359 1.823 3.809 . 0 0 "[ . 1 . 2]" 1
557 1 49 VAL MG1 1 101 TRP HH2 5.500 . 5.500 4.043 3.705 4.342 . 0 0 "[ . 1 . 2]" 1
558 1 49 VAL MG1 1 101 TRP H 5.500 . 5.500 3.996 3.693 4.334 . 0 0 "[ . 1 . 2]" 1
559 1 49 VAL MG1 1 101 TRP HZ2 5.500 . 5.500 4.076 3.590 4.403 . 0 0 "[ . 1 . 2]" 1
560 1 49 VAL MG1 1 101 TRP HZ3 5.500 . 5.500 4.011 3.631 4.446 . 0 0 "[ . 1 . 2]" 1
561 1 49 VAL MG1 1 104 THR MG 6.000 . 6.000 4.121 3.937 4.164 . 0 0 "[ . 1 . 2]" 1
562 1 49 VAL HA 1 49 VAL MG1 3.300 . 3.300 2.311 2.244 2.370 . 0 0 "[ . 1 . 2]" 1
563 1 49 VAL MG1 1 50 GLY H 4.500 . 4.500 3.761 3.754 3.774 . 0 0 "[ . 1 . 2]" 1
564 1 49 VAL MG1 1 51 SER HA 5.500 . 5.500 4.554 4.447 4.586 . 0 0 "[ . 1 . 2]" 1
565 1 49 VAL MG1 1 51 SER QB 5.500 . 5.500 2.505 2.189 3.282 . 0 0 "[ . 1 . 2]" 1
566 1 49 VAL MG1 1 51 SER H 4.000 . 4.000 2.845 2.538 3.211 . 0 0 "[ . 1 . 2]" 1
567 1 49 VAL MG2 1 100 ARG HA 5.500 . 5.500 4.411 4.190 4.582 . 0 0 "[ . 1 . 2]" 1
568 1 49 VAL MG2 1 100 ARG QB 4.500 . 4.500 3.104 2.856 3.340 . 0 0 "[ . 1 . 2]" 1
569 1 49 VAL MG2 1 101 TRP HA 4.000 . 4.000 2.535 2.381 2.757 . 0 0 "[ . 1 . 2]" 1
570 1 49 VAL MG2 1 101 TRP QB 5.500 . 5.500 4.016 3.744 4.088 . 0 0 "[ . 1 . 2]" 1
571 1 49 VAL MG2 1 101 TRP HE3 4.000 . 4.000 2.480 2.132 2.894 . 0 0 "[ . 1 . 2]" 1
572 1 49 VAL MG2 1 101 TRP HH2 5.500 . 5.500 4.451 4.057 4.587 . 0 0 "[ . 1 . 2]" 1
573 1 49 VAL MG2 1 101 TRP H 5.500 . 5.500 4.173 3.926 4.364 . 0 0 "[ . 1 . 2]" 1
574 1 49 VAL MG2 1 101 TRP HZ3 5.500 . 5.500 3.046 2.470 3.479 . 0 0 "[ . 1 . 2]" 1
575 1 49 VAL MG2 1 104 THR MG 3.800 . 3.800 2.152 2.009 2.286 . 0 0 "[ . 1 . 2]" 1
576 1 49 VAL MG2 1 104 THR H 5.500 . 5.500 4.135 3.886 4.302 . 0 0 "[ . 1 . 2]" 1
577 1 49 VAL MG2 1 106 ILE MD 6.000 . 6.000 3.516 3.271 4.118 . 0 0 "[ . 1 . 2]" 1
578 1 49 VAL HA 1 49 VAL MG2 3.300 . 3.300 2.509 2.471 2.524 . 0 0 "[ . 1 . 2]" 1
579 1 49 VAL H 1 49 VAL MG2 2.800 . 2.800 2.157 2.084 2.283 . 0 0 "[ . 1 . 2]" 1
580 1 49 VAL MG2 1 50 GLY H 4.500 . 4.500 3.753 3.746 3.767 . 0 0 "[ . 1 . 2]" 1
581 1 49 VAL MG2 1 51 SER H 5.000 . 5.000 4.115 4.051 4.174 . 0 0 "[ . 1 . 2]" 1
582 1 49 VAL H 1 49 VAL HB 2.800 . 2.800 2.599 2.570 2.612 . 0 0 "[ . 1 . 2]" 1
583 1 49 VAL H 1 50 GLY H 2.800 . 2.800 2.249 2.150 2.312 . 0 0 "[ . 1 . 2]" 1
584 1 49 VAL H 1 51 SER H 4.000 . 4.000 4.003 3.946 4.018 0.018 20 0 "[ . 1 . 2]" 1
585 1 50 GLY QA 1 51 SER H 3.500 . 3.500 2.894 2.861 2.929 . 0 0 "[ . 1 . 2]" 1
586 1 50 GLY H 1 51 SER H 2.800 . 2.800 2.516 2.389 2.623 . 0 0 "[ . 1 . 2]" 1
587 1 51 SER HA 1 101 TRP HZ2 5.000 . 5.000 4.982 4.640 5.012 0.012 2 0 "[ . 1 . 2]" 1
588 1 51 SER HA 1 52 THR H 2.800 . 2.800 2.390 2.240 2.565 . 0 0 "[ . 1 . 2]" 1
589 1 51 SER QB 1 101 TRP HH2 5.500 . 5.500 2.533 2.185 3.142 . 0 0 "[ . 1 . 2]" 1
590 1 51 SER QB 1 101 TRP HZ2 5.500 . 5.500 2.309 2.131 2.498 . 0 0 "[ . 1 . 2]" 1
591 1 51 SER QB 1 52 THR H 3.500 . 3.500 2.666 2.143 3.120 . 0 0 "[ . 1 . 2]" 1
592 1 51 SER H 1 101 TRP HH2 5.000 . 5.000 3.687 3.358 4.131 . 0 0 "[ . 1 . 2]" 1
593 1 51 SER H 1 101 TRP HZ3 5.500 . 5.500 4.351 4.013 5.005 . 0 0 "[ . 1 . 2]" 1
594 1 51 SER H 1 52 THR H 5.000 . 5.000 4.497 4.443 4.546 . 0 0 "[ . 1 . 2]" 1
595 1 52 THR HA 1 53 ILE H 2.800 . 2.800 2.202 2.136 2.352 . 0 0 "[ . 1 . 2]" 1
596 1 52 THR HB 1 53 ILE H 5.000 . 5.000 3.747 3.207 4.600 . 0 0 "[ . 1 . 2]" 1
597 1 52 THR H 1 52 THR MG 4.000 . 4.000 2.998 2.157 3.345 . 0 0 "[ . 1 . 2]" 1
598 1 52 THR MG 1 53 ILE H 4.000 . 4.000 3.334 3.315 3.346 . 0 0 "[ . 1 . 2]" 1
599 1 52 THR H 1 52 THR HB 3.500 . 3.500 3.037 2.121 3.437 . 0 0 "[ . 1 . 2]" 1
600 1 52 THR H 1 53 ILE H 5.000 . 5.000 4.507 4.360 4.610 . 0 0 "[ . 1 . 2]" 1
601 1 53 ILE HA 1 101 TRP HH2 5.000 . 5.000 3.126 2.287 3.785 . 0 0 "[ . 1 . 2]" 1
602 1 53 ILE HA 1 101 TRP HZ2 5.000 . 5.000 3.567 3.053 3.947 . 0 0 "[ . 1 . 2]" 1
603 1 53 ILE HA 1 54 PRO QD 3.300 . 3.300 1.885 1.766 2.002 0.034 20 0 "[ . 1 . 2]" 1
604 1 53 ILE HA 1 55 TYR H 5.000 . 5.000 3.985 3.765 4.277 . 0 0 "[ . 1 . 2]" 1
605 1 53 ILE HB 1 55 TYR H 5.000 . 5.000 4.509 4.275 4.755 . 0 0 "[ . 1 . 2]" 1
606 1 53 ILE MD 1 101 TRP HE3 4.000 . 4.000 2.845 2.408 3.309 . 0 0 "[ . 1 . 2]" 1
607 1 53 ILE HA 1 53 ILE MD 4.500 . 4.500 2.689 2.463 3.310 . 0 0 "[ . 1 . 2]" 1
608 1 53 ILE H 1 53 ILE MD 5.500 . 5.500 4.219 4.045 4.421 . 0 0 "[ . 1 . 2]" 1
609 1 53 ILE MD 1 54 PRO QD 4.500 . 4.500 2.648 2.133 3.274 . 0 0 "[ . 1 . 2]" 1
610 1 53 ILE MD 1 55 TYR QD 5.000 . 5.000 2.027 1.931 2.604 . 0 0 "[ . 1 . 2]" 1
611 1 53 ILE MD 1 55 TYR QE 4.500 . 4.500 2.425 2.074 3.346 . 0 0 "[ . 1 . 2]" 1
612 1 53 ILE MD 1 55 TYR H 5.500 . 5.500 4.064 3.736 4.585 . 0 0 "[ . 1 . 2]" 1
613 1 53 ILE MD 1 88 PHE QE 5.000 . 5.000 3.209 2.835 3.522 . 0 0 "[ . 1 . 2]" 1
614 1 53 ILE MD 1 88 PHE HZ 4.000 . 4.000 2.677 2.090 3.274 . 0 0 "[ . 1 . 2]" 1
615 1 53 ILE MD 1 92 LEU MD1 4.500 . 4.500 2.728 2.367 3.088 . 0 0 "[ . 1 . 2]" 1
616 1 53 ILE QG 1 54 PRO QD 6.000 . 6.000 2.007 1.913 2.315 . 0 0 "[ . 1 . 2]" 1
617 1 53 ILE QG 1 55 TYR QD 4.500 . 4.500 1.949 1.883 2.157 . 0 0 "[ . 1 . 2]" 1
618 1 53 ILE QG 1 55 TYR H 4.000 . 4.000 2.361 1.979 2.924 . 0 0 "[ . 1 . 2]" 1
619 1 53 ILE H 1 53 ILE MG 4.000 . 4.000 2.168 2.016 2.333 . 0 0 "[ . 1 . 2]" 1
620 1 53 ILE MG 1 54 PRO QD 6.000 . 6.000 3.859 3.790 3.907 . 0 0 "[ . 1 . 2]" 1
621 1 53 ILE MG 1 55 TYR QB 6.000 . 6.000 2.836 2.592 3.016 . 0 0 "[ . 1 . 2]" 1
622 1 53 ILE MG 1 55 TYR QD 5.000 . 5.000 3.704 3.653 3.726 . 0 0 "[ . 1 . 2]" 1
623 1 53 ILE MG 1 55 TYR H 3.300 . 3.300 2.555 2.443 2.639 . 0 0 "[ . 1 . 2]" 1
624 1 53 ILE MG 1 88 PHE QE 5.000 . 5.000 3.636 3.156 3.719 . 0 0 "[ . 1 . 2]" 1
625 1 53 ILE MG 1 88 PHE HZ 5.500 . 5.500 4.472 3.915 4.586 . 0 0 "[ . 1 . 2]" 1
626 1 53 ILE H 1 53 ILE HB 3.500 . 3.500 2.634 2.442 2.917 . 0 0 "[ . 1 . 2]" 1
627 1 54 PRO HA 1 55 TYR H 3.500 . 3.500 2.998 2.799 3.211 . 0 0 "[ . 1 . 2]" 1
628 1 54 PRO QB 1 55 TYR H 5.500 . 5.500 3.942 3.719 4.016 . 0 0 "[ . 1 . 2]" 1
629 1 54 PRO QD 1 101 TRP HE1 5.500 . 5.500 4.211 3.679 4.647 . 0 0 "[ . 1 . 2]" 1
630 1 54 PRO QD 1 101 TRP HZ2 5.500 . 5.500 3.441 3.077 3.845 . 0 0 "[ . 1 . 2]" 1
631 1 54 PRO QD 1 55 TYR H 5.500 . 5.500 3.275 2.948 3.732 . 0 0 "[ . 1 . 2]" 1
632 1 54 PRO QD 1 91 GLU QG 6.000 . 6.000 4.749 4.605 4.770 . 0 0 "[ . 1 . 2]" 1
633 1 54 PRO QG 1 101 TRP HE1 5.500 . 5.500 4.655 4.243 4.911 . 0 0 "[ . 1 . 2]" 1
634 1 54 PRO QG 1 55 TYR H 5.500 . 5.500 4.193 3.564 4.749 . 0 0 "[ . 1 . 2]" 1
635 1 55 TYR HA 1 56 ASP H 2.800 . 2.800 2.224 2.139 2.346 . 0 0 "[ . 1 . 2]" 1
636 1 55 TYR QB 1 56 ASP H 4.000 . 4.000 2.877 2.497 3.224 . 0 0 "[ . 1 . 2]" 1
637 1 55 TYR QB 1 88 PHE QE 6.500 . 6.500 2.152 1.922 2.390 . 0 0 "[ . 1 . 2]" 1
638 1 55 TYR QD 1 56 ASP H 4.000 . 4.000 3.534 3.407 3.586 . 0 0 "[ . 1 . 2]" 1
639 1 55 TYR QD 1 88 PHE QE 4.500 . 4.500 2.479 2.292 2.836 . 0 0 "[ . 1 . 2]" 1
640 1 55 TYR QD 1 88 PHE HZ 4.500 . 4.500 3.153 2.916 4.003 . 0 0 "[ . 1 . 2]" 1
641 1 55 TYR QE 1 88 PHE QE 6.000 . 6.000 3.926 3.670 4.525 . 0 0 "[ . 1 . 2]" 1
642 1 55 TYR QE 1 92 LEU HA 5.500 . 5.500 4.006 3.606 4.630 . 0 0 "[ . 1 . 2]" 1
643 1 55 TYR QE 1 92 LEU MD1 4.500 . 4.500 2.141 1.887 3.347 . 0 0 "[ . 1 . 2]" 1
644 1 55 TYR H 1 55 TYR QD 4.000 . 4.000 3.547 3.335 3.593 . 0 0 "[ . 1 . 2]" 1
645 1 55 TYR H 1 56 ASP H 5.000 . 5.000 4.478 4.343 4.549 . 0 0 "[ . 1 . 2]" 1
646 1 55 TYR H 1 88 PHE QD 6.000 . 6.000 5.349 5.261 5.360 . 0 0 "[ . 1 . 2]" 1
647 1 55 TYR H 1 88 PHE QE 6.000 . 6.000 4.555 4.438 4.757 . 0 0 "[ . 1 . 2]" 1
648 1 56 ASP HA 1 57 PHE H 2.800 . 2.800 2.164 2.134 2.269 . 0 0 "[ . 1 . 2]" 1
649 1 56 ASP QB 1 57 PHE H 4.000 . 4.000 3.281 2.890 3.557 . 0 0 "[ . 1 . 2]" 1
650 1 56 ASP H 1 56 ASP QB 3.300 . 3.300 2.530 2.183 2.840 . 0 0 "[ . 1 . 2]" 1
651 1 56 ASP H 1 57 PHE H 5.000 . 5.000 4.391 4.084 4.582 . 0 0 "[ . 1 . 2]" 1
652 1 56 ASP H 1 88 PHE QD 5.500 . 5.500 4.585 4.155 4.912 . 0 0 "[ . 1 . 2]" 1
653 1 57 PHE HA 1 58 PRO QD 2.800 . 2.800 1.981 1.921 2.053 . 0 0 "[ . 1 . 2]" 1
654 1 57 PHE QD 1 58 PRO QD 6.500 . 6.500 3.466 2.738 4.629 . 0 0 "[ . 1 . 2]" 1
655 1 57 PHE QD 1 59 GLU HA 6.000 . 6.000 4.009 3.346 5.192 . 0 0 "[ . 1 . 2]" 1
656 1 57 PHE QD 1 59 GLU QB 6.500 . 6.500 4.340 2.763 5.159 . 0 0 "[ . 1 . 2]" 1
657 1 57 PHE QD 1 59 GLU QG 6.500 . 6.500 3.488 2.348 4.619 . 0 0 "[ . 1 . 2]" 1
658 1 57 PHE QD 1 59 GLU H 6.000 . 6.000 4.396 3.945 5.148 . 0 0 "[ . 1 . 2]" 1
659 1 57 PHE QD 1 88 PHE QD 5.500 . 5.500 3.747 3.135 4.292 . 0 0 "[ . 1 . 2]" 1
660 1 57 PHE QD 1 88 PHE QE 5.500 . 5.500 3.912 3.372 4.366 . 0 0 "[ . 1 . 2]" 1
661 1 57 PHE QE 1 59 GLU QG 6.500 . 6.500 3.978 2.842 5.112 . 0 0 "[ . 1 . 2]" 1
662 1 57 PHE QE 1 85 LEU MD2 6.500 . 6.500 3.255 2.377 4.472 . 0 0 "[ . 1 . 2]" 1
663 1 57 PHE H 1 57 PHE QD 5.500 . 5.500 4.181 2.631 4.475 . 0 0 "[ . 1 . 2]" 1
664 1 57 PHE HZ 1 85 LEU MD2 6.500 . 6.500 3.734 2.679 5.398 . 0 0 "[ . 1 . 2]" 1
665 1 58 PRO HA 1 59 GLU H 2.800 . 2.800 2.171 2.144 2.195 . 0 0 "[ . 1 . 2]" 1
666 1 58 PRO QD 1 59 GLU H 5.500 . 5.500 4.856 4.724 4.915 . 0 0 "[ . 1 . 2]" 1
667 1 58 PRO QG 1 59 GLU H 5.500 . 5.500 4.703 4.532 4.768 . 0 0 "[ . 1 . 2]" 1
668 1 59 GLU HA 1 60 LYS H 2.800 . 2.800 2.433 2.146 2.755 . 0 0 "[ . 1 . 2]" 1
669 1 59 GLU QB 1 60 LYS H 4.000 . 4.000 2.566 1.971 3.315 . 0 0 "[ . 1 . 2]" 1
670 1 59 GLU H 1 59 GLU QG 4.000 . 4.000 3.265 2.070 3.571 . 0 0 "[ . 1 . 2]" 1
671 1 59 GLU QG 1 60 LYS H 4.000 . 4.000 3.383 2.559 3.595 . 0 0 "[ . 1 . 2]" 1
672 1 59 GLU H 1 60 LYS H 5.000 . 5.000 4.512 4.315 4.623 . 0 0 "[ . 1 . 2]" 1
673 1 60 LYS HA 1 61 PRO QD 2.800 . 2.800 1.991 1.912 2.122 . 0 0 "[ . 1 . 2]" 1
674 1 60 LYS H 1 60 LYS QB 3.500 . 3.500 2.813 2.302 3.143 . 0 0 "[ . 1 . 2]" 1
675 1 60 LYS QB 1 61 PRO QD 5.500 . 5.500 3.102 2.479 3.792 . 0 0 "[ . 1 . 2]" 1
676 1 60 LYS H 1 60 LYS QG 4.000 . 4.000 2.803 1.987 3.538 . 0 0 "[ . 1 . 2]" 1
677 1 60 LYS H 1 61 PRO QD 5.500 . 5.500 3.925 3.207 4.362 . 0 0 "[ . 1 . 2]" 1
678 1 61 PRO HA 1 62 GLY H 2.800 . 2.800 2.233 2.187 2.262 . 0 0 "[ . 1 . 2]" 1
679 1 61 PRO HA 1 63 VAL H 5.000 . 5.000 4.893 4.254 5.004 0.004 12 0 "[ . 1 . 2]" 1
680 1 61 PRO QB 1 62 GLY H 3.500 . 3.500 2.985 2.889 3.131 . 0 0 "[ . 1 . 2]" 1
681 1 62 GLY QA 1 63 VAL H 2.800 . 2.800 2.397 2.281 2.508 . 0 0 "[ . 1 . 2]" 1
682 1 62 GLY QA 1 65 ASP H 5.500 . 5.500 4.134 3.545 4.913 . 0 0 "[ . 1 . 2]" 1
683 1 62 GLY H 1 63 VAL H 3.500 . 3.500 3.207 2.833 3.490 . 0 0 "[ . 1 . 2]" 1
684 1 63 VAL HB 1 64 LEU H 4.000 . 4.000 1.999 1.907 3.615 . 0 0 "[ . 1 . 2]" 1
685 1 63 VAL MG1 1 64 LEU H 4.000 . 4.000 2.497 2.473 2.500 . 0 0 "[ . 1 . 2]" 1
686 1 63 VAL H 1 63 VAL MG2 4.000 . 4.000 2.533 2.068 3.364 . 0 0 "[ . 1 . 2]" 1
687 1 63 VAL QG 1 64 LEU H 3.300 . 3.300 2.454 2.453 2.459 . 0 0 "[ . 1 . 2]" 1
688 1 63 VAL H 1 63 VAL HB 2.800 . 2.800 2.494 2.082 2.664 . 0 0 "[ . 1 . 2]" 1
689 1 63 VAL H 1 64 LEU H 3.500 . 3.500 2.899 2.722 3.181 . 0 0 "[ . 1 . 2]" 1
690 1 64 LEU HA 1 65 ASP H 2.800 . 2.800 2.676 2.385 2.814 0.014 15 0 "[ . 1 . 2]" 1
691 1 64 LEU H 1 64 LEU MD1 5.500 . 5.500 4.297 4.213 4.389 . 0 0 "[ . 1 . 2]" 1
692 1 64 LEU MD1 1 65 ASP H 5.500 . 5.500 3.900 3.413 4.260 . 0 0 "[ . 1 . 2]" 1
693 1 64 LEU HA 1 64 LEU MD2 3.300 . 3.300 2.043 1.967 2.229 . 0 0 "[ . 1 . 2]" 1
694 1 64 LEU H 1 64 LEU MD2 5.500 . 5.500 3.868 3.577 4.095 . 0 0 "[ . 1 . 2]" 1
695 1 64 LEU MD2 1 65 ASP H 5.500 . 5.500 4.304 3.945 4.512 . 0 0 "[ . 1 . 2]" 1
696 1 64 LEU MD2 1 66 ARG QD 6.000 . 6.000 4.228 3.801 4.453 . 0 0 "[ . 1 . 2]" 1
697 1 65 ASP HA 1 66 ARG H 2.800 . 2.800 2.175 2.140 2.245 . 0 0 "[ . 1 . 2]" 1
698 1 65 ASP H 1 65 ASP QB 2.800 . 2.800 2.431 2.181 2.524 . 0 0 "[ . 1 . 2]" 1
699 1 65 ASP QB 1 66 ARG H 5.500 . 5.500 3.290 2.815 3.723 . 0 0 "[ . 1 . 2]" 1
700 1 65 ASP QB 1 68 TRP HD1 4.000 . 4.000 3.050 1.979 3.577 . 0 0 "[ . 1 . 2]" 1
701 1 65 ASP QB 1 68 TRP H 5.500 . 5.500 3.528 2.535 4.706 . 0 0 "[ . 1 . 2]" 1
702 1 65 ASP H 1 66 ARG H 5.000 . 5.000 4.367 3.977 4.618 . 0 0 "[ . 1 . 2]" 1
703 1 66 ARG HA 1 67 ARG H 3.500 . 3.500 3.418 2.172 3.551 0.051 16 0 "[ . 1 . 2]" 1
704 1 66 ARG HA 1 68 TRP H 5.000 . 5.000 4.554 4.141 5.006 0.006 9 0 "[ . 1 . 2]" 1
705 1 66 ARG HA 1 69 GLN QG 5.500 . 5.500 2.845 1.981 4.520 . 0 0 "[ . 1 . 2]" 1
706 1 66 ARG QB 1 67 ARG H 4.000 . 4.000 2.776 2.095 3.635 . 0 0 "[ . 1 . 2]" 1
707 1 66 ARG QG 1 67 ARG H 5.000 . 5.000 4.027 2.154 4.485 . 0 0 "[ . 1 . 2]" 1
708 1 66 ARG H 1 66 ARG QG 4.000 . 4.000 2.893 2.168 3.543 . 0 0 "[ . 1 . 2]" 1
709 1 67 ARG HA 1 67 ARG QD 5.000 . 5.000 3.986 2.409 4.367 . 0 0 "[ . 1 . 2]" 1
710 1 67 ARG HA 1 69 GLN H 5.000 . 5.000 3.974 3.625 4.698 . 0 0 "[ . 1 . 2]" 1
711 1 67 ARG H 1 67 ARG QB 3.300 . 3.300 2.733 2.580 2.972 . 0 0 "[ . 1 . 2]" 1
712 1 67 ARG QB 1 68 TRP H 4.000 . 4.000 3.073 2.077 3.565 . 0 0 "[ . 1 . 2]" 1
713 1 67 ARG H 1 67 ARG QD 5.500 . 5.500 3.572 1.981 4.615 . 0 0 "[ . 1 . 2]" 1
714 1 67 ARG QG 1 68 TRP H 4.000 . 4.000 2.676 1.901 3.590 . 0 0 "[ . 1 . 2]" 1
715 1 67 ARG H 1 67 ARG QG 4.000 . 4.000 2.115 1.929 3.004 . 0 0 "[ . 1 . 2]" 1
716 1 68 TRP H 1 68 TRP QB 3.300 . 3.300 2.660 2.079 2.954 . 0 0 "[ . 1 . 2]" 1
717 1 68 TRP QB 1 69 GLN H 5.000 . 5.000 3.583 2.325 4.062 . 0 0 "[ . 1 . 2]" 1
718 1 68 TRP H 1 68 TRP HD1 3.500 . 3.500 2.536 1.915 3.272 . 0 0 "[ . 1 . 2]" 1
719 1 68 TRP H 1 69 GLN H 2.800 . 2.800 2.708 2.228 2.814 0.014 7 0 "[ . 1 . 2]" 1
720 1 69 GLN HA 1 70 ARG H 2.800 . 2.800 2.301 2.157 2.476 . 0 0 "[ . 1 . 2]" 1
721 1 69 GLN QB 1 70 ARG H 3.500 . 3.500 2.783 2.253 3.123 . 0 0 "[ . 1 . 2]" 1
722 1 69 GLN H 1 69 GLN QG 4.000 . 4.000 2.679 2.000 3.571 . 0 0 "[ . 1 . 2]" 1
723 1 69 GLN H 1 69 GLN QB 3.300 . 3.300 2.465 2.043 2.963 . 0 0 "[ . 1 . 2]" 1
724 1 70 ARG HA 1 71 ARG H 3.500 . 3.500 2.376 2.183 2.491 . 0 0 "[ . 1 . 2]" 1
725 1 70 ARG H 1 70 ARG QD 5.500 . 5.500 3.812 1.956 4.850 . 0 0 "[ . 1 . 2]" 1
726 1 70 ARG H 1 70 ARG QG 4.000 . 4.000 2.837 1.933 3.571 . 0 0 "[ . 1 . 2]" 1
727 1 70 ARG H 1 71 ARG H 5.000 . 5.000 4.458 4.248 4.623 . 0 0 "[ . 1 . 2]" 1
728 1 71 ARG HA 1 72 TYR H 2.800 . 2.800 2.166 2.140 2.257 . 0 0 "[ . 1 . 2]" 1
729 1 71 ARG HA 1 73 ASP H 5.000 . 5.000 3.659 3.408 3.909 . 0 0 "[ . 1 . 2]" 1
730 1 71 ARG HA 1 74 ASP H 5.000 . 5.000 4.880 4.680 5.010 0.010 11 0 "[ . 1 . 2]" 1
731 1 71 ARG HA 1 71 ARG QD 4.000 . 4.000 2.620 1.975 3.565 . 0 0 "[ . 1 . 2]" 1
732 1 71 ARG H 1 71 ARG QD 5.500 . 5.500 3.600 2.954 4.587 . 0 0 "[ . 1 . 2]" 1
733 1 71 ARG QG 1 72 TYR QD 6.500 . 6.500 3.662 2.736 4.947 . 0 0 "[ . 1 . 2]" 1
734 1 71 ARG QG 1 73 ASP H 4.000 . 4.000 3.001 2.480 3.578 . 0 0 "[ . 1 . 2]" 1
735 1 71 ARG H 1 74 ASP QB 5.500 . 5.500 3.250 2.727 3.789 . 0 0 "[ . 1 . 2]" 1
736 1 71 ARG H 1 74 ASP H 5.000 . 5.000 4.920 4.592 5.020 0.020 20 0 "[ . 1 . 2]" 1
737 1 72 TYR HA 1 74 ASP H 5.000 . 5.000 3.630 3.483 3.703 . 0 0 "[ . 1 . 2]" 1
738 1 72 TYR HA 1 77 MET ME 4.000 . 4.000 2.216 1.841 3.041 . 0 0 "[ . 1 . 2]" 1
739 1 72 TYR QB 1 73 ASP H 5.500 . 5.500 3.622 3.543 3.727 . 0 0 "[ . 1 . 2]" 1
740 1 72 TYR QB 1 77 MET ME 5.500 . 5.500 3.355 2.998 3.781 . 0 0 "[ . 1 . 2]" 1
741 1 72 TYR H 1 72 TYR QD 4.500 . 4.500 2.020 1.924 2.615 . 0 0 "[ . 1 . 2]" 1
742 1 72 TYR QD 1 73 ASP H 4.000 . 4.000 3.066 1.981 3.530 . 0 0 "[ . 1 . 2]" 1
743 1 72 TYR QD 1 77 MET ME 6.500 . 6.500 4.543 4.325 4.823 . 0 0 "[ . 1 . 2]" 1
744 1 72 TYR H 1 73 ASP H 3.500 . 3.500 2.654 2.496 2.827 . 0 0 "[ . 1 . 2]" 1
745 1 73 ASP HA 1 74 ASP H 5.000 . 5.000 2.961 2.876 3.073 . 0 0 "[ . 1 . 2]" 1
746 1 73 ASP HA 1 78 ILE MD 5.000 . 5.000 2.176 1.928 2.424 . 0 0 "[ . 1 . 2]" 1
747 1 73 ASP QB 1 74 ASP H 5.500 . 5.500 4.013 3.721 4.045 . 0 0 "[ . 1 . 2]" 1
748 1 73 ASP QB 1 78 ILE MD 5.500 . 5.500 3.479 3.213 3.785 . 0 0 "[ . 1 . 2]" 1
749 1 73 ASP H 1 74 ASP QB 5.500 . 5.500 4.055 3.888 4.356 . 0 0 "[ . 1 . 2]" 1
750 1 73 ASP H 1 74 ASP H 3.500 . 3.500 2.765 2.581 2.926 . 0 0 "[ . 1 . 2]" 1
751 1 73 ASP H 1 77 MET ME 5.500 . 5.500 4.170 3.856 4.431 . 0 0 "[ . 1 . 2]" 1
752 1 74 ASP HA 1 75 PRO QD 2.800 . 2.800 1.947 1.863 2.012 . 0 0 "[ . 1 . 2]" 1
753 1 74 ASP QB 1 77 MET QB 5.500 . 5.500 2.973 2.334 3.883 . 0 0 "[ . 1 . 2]" 1
754 1 74 ASP QB 1 77 MET ME 4.500 . 4.500 3.198 2.010 3.342 . 0 0 "[ . 1 . 2]" 1
755 1 74 ASP H 1 74 ASP QB 3.300 . 3.300 2.260 2.138 2.385 . 0 0 "[ . 1 . 2]" 1
756 1 74 ASP H 1 75 PRO QD 5.500 . 5.500 4.233 3.982 4.361 . 0 0 "[ . 1 . 2]" 1
757 1 74 ASP H 1 77 MET ME 4.000 . 4.000 2.741 2.343 3.094 . 0 0 "[ . 1 . 2]" 1
758 1 74 ASP H 1 78 ILE MD 5.500 . 5.500 2.590 2.201 3.106 . 0 0 "[ . 1 . 2]" 1
759 1 75 PRO HA 1 78 ILE MG 4.000 . 4.000 3.338 3.332 3.350 . 0 0 "[ . 1 . 2]" 1
760 1 75 PRO HA 1 78 ILE H 5.000 . 5.000 3.302 3.168 3.510 . 0 0 "[ . 1 . 2]" 1
761 1 75 PRO QB 1 78 ILE MD 6.000 . 6.000 3.736 3.404 4.230 . 0 0 "[ . 1 . 2]" 1
762 1 75 PRO QD 1 76 GLU H 5.500 . 5.500 2.835 2.736 2.973 . 0 0 "[ . 1 . 2]" 1
763 1 76 GLU HA 1 79 ASP QB 5.000 . 5.000 3.151 2.880 3.448 . 0 0 "[ . 1 . 2]" 1
764 1 76 GLU HA 1 79 ASP H 4.000 . 4.000 3.923 3.769 4.024 0.024 20 0 "[ . 1 . 2]" 1
765 1 76 GLU HA 1 80 GLU H 5.500 . 5.500 4.994 4.700 5.202 . 0 0 "[ . 1 . 2]" 1
766 1 76 GLU QB 1 77 MET H 4.000 . 4.000 2.750 2.324 3.385 . 0 0 "[ . 1 . 2]" 1
767 1 76 GLU H 1 76 GLU QB 3.300 . 3.300 2.320 2.040 2.658 . 0 0 "[ . 1 . 2]" 1
768 1 76 GLU H 1 76 GLU QG 4.000 . 4.000 2.657 1.938 3.553 . 0 0 "[ . 1 . 2]" 1
769 1 77 MET QB 1 78 ILE H 4.000 . 4.000 2.864 2.489 3.508 . 0 0 "[ . 1 . 2]" 1
770 1 77 MET HA 1 77 MET ME 5.500 . 5.500 4.197 3.769 4.583 . 0 0 "[ . 1 . 2]" 1
771 1 77 MET H 1 77 MET ME 5.500 . 5.500 3.841 2.909 4.183 . 0 0 "[ . 1 . 2]" 1
772 1 77 MET ME 1 78 ILE HA 5.500 . 5.500 3.067 2.329 4.594 . 0 0 "[ . 1 . 2]" 1
773 1 77 MET ME 1 78 ILE MD 4.500 . 4.500 3.047 2.651 3.126 . 0 0 "[ . 1 . 2]" 1
774 1 77 MET ME 1 78 ILE H 5.500 . 5.500 3.143 2.512 3.905 . 0 0 "[ . 1 . 2]" 1
775 1 77 MET H 1 78 ILE H 3.500 . 3.500 2.348 2.269 2.495 . 0 0 "[ . 1 . 2]" 1
776 1 78 ILE HA 1 81 ARG H 5.000 . 5.000 3.391 3.133 3.567 . 0 0 "[ . 1 . 2]" 1
777 1 78 ILE HB 1 79 ASP H 4.000 . 4.000 2.760 2.519 2.977 . 0 0 "[ . 1 . 2]" 1
778 1 78 ILE HB 1 78 ILE MD 3.300 . 3.300 2.145 1.999 2.311 . 0 0 "[ . 1 . 2]" 1
779 1 78 ILE H 1 78 ILE MD 4.000 . 4.000 3.128 2.660 3.335 . 0 0 "[ . 1 . 2]" 1
780 1 78 ILE QG 1 79 ASP H 5.500 . 5.500 4.250 4.011 4.478 . 0 0 "[ . 1 . 2]" 1
781 1 78 ILE MG 1 79 ASP HA 5.500 . 5.500 3.331 3.233 3.451 . 0 0 "[ . 1 . 2]" 1
782 1 78 ILE MG 1 79 ASP H 4.000 . 4.000 3.341 3.335 3.347 . 0 0 "[ . 1 . 2]" 1
783 1 78 ILE H 1 78 ILE HB 4.000 . 4.000 2.387 2.293 2.524 . 0 0 "[ . 1 . 2]" 1
784 1 78 ILE H 1 78 ILE QG 4.000 . 4.000 2.474 2.066 2.934 . 0 0 "[ . 1 . 2]" 1
785 1 78 ILE H 1 79 ASP H 3.500 . 3.500 2.613 2.511 2.716 . 0 0 "[ . 1 . 2]" 1
786 1 79 ASP HA 1 80 GLU H 5.000 . 5.000 3.559 3.508 3.575 . 0 0 "[ . 1 . 2]" 1
787 1 79 ASP HA 1 82 ARG H 5.000 . 5.000 3.853 3.685 4.074 . 0 0 "[ . 1 . 2]" 1
788 1 79 ASP HA 1 83 ILE H 5.500 . 5.500 5.365 4.928 5.510 0.010 13 0 "[ . 1 . 2]" 1
789 1 79 ASP QB 1 80 GLU H 4.000 . 4.000 2.425 2.115 2.834 . 0 0 "[ . 1 . 2]" 1
790 1 79 ASP H 1 79 ASP QB 3.300 . 3.300 2.135 2.051 2.253 . 0 0 "[ . 1 . 2]" 1
791 1 79 ASP H 1 80 GLU H 3.500 . 3.500 2.902 2.741 3.073 . 0 0 "[ . 1 . 2]" 1
792 1 80 GLU HA 1 83 ILE MD 4.500 . 4.500 2.465 1.777 3.019 0.023 12 0 "[ . 1 . 2]" 1
793 1 80 GLU HA 1 83 ILE H 3.500 . 3.500 3.525 3.512 3.560 0.060 12 0 "[ . 1 . 2]" 1
794 1 80 GLU QB 1 81 ARG H 4.000 . 4.000 2.754 2.437 3.474 . 0 0 "[ . 1 . 2]" 1
795 1 80 GLU H 1 80 GLU QG 4.000 . 4.000 2.614 1.961 3.471 . 0 0 "[ . 1 . 2]" 1
796 1 80 GLU H 1 81 ARG H 2.800 . 2.800 2.564 2.309 2.737 . 0 0 "[ . 1 . 2]" 1
797 1 81 ARG H 1 81 ARG QD 5.500 . 5.500 3.576 2.517 4.674 . 0 0 "[ . 1 . 2]" 1
798 1 81 ARG H 1 82 ARG H 3.500 . 3.500 2.681 2.532 2.727 . 0 0 "[ . 1 . 2]" 1
799 1 82 ARG HA 1 83 ILE H 5.000 . 5.000 3.555 3.492 3.576 . 0 0 "[ . 1 . 2]" 1
800 1 82 ARG HA 1 85 LEU MD1 5.500 . 5.500 3.138 2.417 3.891 . 0 0 "[ . 1 . 2]" 1
801 1 82 ARG QB 1 82 ARG HE 5.000 . 5.000 3.418 2.303 4.167 . 0 0 "[ . 1 . 2]" 1
802 1 82 ARG QB 1 83 ILE MD 6.000 . 6.000 4.144 2.056 4.466 . 0 0 "[ . 1 . 2]" 1
803 1 82 ARG QB 1 83 ILE MG 4.500 . 4.500 3.082 2.866 3.303 . 0 0 "[ . 1 . 2]" 1
804 1 82 ARG QB 1 83 ILE H 4.000 . 4.000 2.384 2.006 2.877 . 0 0 "[ . 1 . 2]" 1
805 1 82 ARG H 1 83 ILE H 3.500 . 3.500 2.761 2.576 2.937 . 0 0 "[ . 1 . 2]" 1
806 1 83 ILE HA 1 84 GLY H 3.500 . 3.500 2.394 2.234 2.489 . 0 0 "[ . 1 . 2]" 1
807 1 83 ILE HB 1 84 GLY H 4.500 . 4.500 2.392 2.162 2.856 . 0 0 "[ . 1 . 2]" 1
808 1 83 ILE H 1 83 ILE MD 4.000 . 4.000 2.854 1.857 3.368 . 0 0 "[ . 1 . 2]" 1
809 1 83 ILE QG 1 84 GLY H 5.500 . 5.500 4.059 3.679 4.436 . 0 0 "[ . 1 . 2]" 1
810 1 83 ILE HA 1 83 ILE MG 3.300 . 3.300 2.239 2.175 2.286 . 0 0 "[ . 1 . 2]" 1
811 1 83 ILE H 1 83 ILE MG 4.000 . 4.000 2.743 2.379 3.236 . 0 0 "[ . 1 . 2]" 1
812 1 83 ILE MG 1 84 GLY H 4.000 . 4.000 3.326 3.227 3.356 . 0 0 "[ . 1 . 2]" 1
813 1 83 ILE MG 1 87 ARG QD 6.000 . 6.000 4.322 4.003 4.457 . 0 0 "[ . 1 . 2]" 1
814 1 83 ILE H 1 83 ILE HB 3.800 . 3.800 3.615 3.598 3.651 . 0 0 "[ . 1 . 2]" 1
815 1 83 ILE H 1 83 ILE QG 4.500 . 4.500 1.795 1.631 2.166 0.169 17 0 "[ . 1 . 2]" 1
816 1 84 GLY H 1 85 LEU H 3.500 . 3.500 3.026 2.745 3.432 . 0 0 "[ . 1 . 2]" 1
817 1 85 LEU HA 1 88 PHE H 5.000 . 5.000 3.401 3.236 3.617 . 0 0 "[ . 1 . 2]" 1
818 1 85 LEU QB 1 86 GLU H 4.000 . 4.000 2.375 2.257 2.591 . 0 0 "[ . 1 . 2]" 1
819 1 85 LEU H 1 85 LEU MD1 5.000 . 5.000 3.475 3.038 3.707 . 0 0 "[ . 1 . 2]" 1
820 1 85 LEU MD1 1 86 GLU H 5.500 . 5.500 4.218 3.893 4.394 . 0 0 "[ . 1 . 2]" 1
821 1 85 LEU HA 1 85 LEU MD2 3.300 . 3.300 2.210 1.974 2.504 . 0 0 "[ . 1 . 2]" 1
822 1 85 LEU H 1 85 LEU MD2 5.500 . 5.500 3.349 2.910 3.647 . 0 0 "[ . 1 . 2]" 1
823 1 85 LEU HG 1 86 GLU H 5.000 . 5.000 4.159 4.027 4.318 . 0 0 "[ . 1 . 2]" 1
824 1 85 LEU H 1 85 LEU HG 3.500 . 3.500 2.163 2.000 2.379 . 0 0 "[ . 1 . 2]" 1
825 1 85 LEU H 1 86 GLU H 3.500 . 3.500 2.666 2.501 2.883 . 0 0 "[ . 1 . 2]" 1
826 1 86 GLU HA 1 89 LEU HG 3.500 . 3.500 3.476 3.015 3.513 0.013 8 0 "[ . 1 . 2]" 1
827 1 86 GLU QB 1 87 ARG H 4.000 . 4.000 3.218 2.365 3.568 . 0 0 "[ . 1 . 2]" 1
828 1 86 GLU QG 1 87 ARG H 5.500 . 5.500 2.341 1.925 4.123 . 0 0 "[ . 1 . 2]" 1
829 1 87 ARG QB 1 88 PHE H 4.000 . 4.000 2.831 2.639 3.565 . 0 0 "[ . 1 . 2]" 1
830 1 87 ARG QG 1 88 PHE H 5.500 . 5.500 3.914 2.236 4.528 . 0 0 "[ . 1 . 2]" 1
831 1 87 ARG H 1 87 ARG QD 6.000 . 6.000 2.981 2.017 4.065 . 0 0 "[ . 1 . 2]" 1
832 1 87 ARG H 1 87 ARG QG 5.000 . 5.000 2.440 1.907 3.332 . 0 0 "[ . 1 . 2]" 1
833 1 87 ARG H 1 88 PHE H 3.500 . 3.500 2.583 2.381 2.766 . 0 0 "[ . 1 . 2]" 1
834 1 88 PHE QB 1 89 LEU H 5.500 . 5.500 2.749 2.463 3.026 . 0 0 "[ . 1 . 2]" 1
835 1 88 PHE QE 1 92 LEU MD1 6.000 . 6.000 2.576 1.954 3.237 . 0 0 "[ . 1 . 2]" 1
836 1 88 PHE H 1 89 LEU H 3.500 . 3.500 2.650 2.552 2.739 . 0 0 "[ . 1 . 2]" 1
837 1 88 PHE HZ 1 92 LEU MD1 5.500 . 5.500 3.652 3.180 4.189 . 0 0 "[ . 1 . 2]" 1
838 1 89 LEU HA 1 93 TYR QD 5.500 . 5.500 3.508 2.603 4.465 . 0 0 "[ . 1 . 2]" 1
839 1 89 LEU HA 1 93 TYR H 5.000 . 5.000 3.429 2.955 3.724 . 0 0 "[ . 1 . 2]" 1
840 1 89 LEU QB 1 90 ASN H 4.000 . 4.000 2.656 2.232 3.023 . 0 0 "[ . 1 . 2]" 1
841 1 89 LEU MD1 1 110 PHE QE 4.500 . 4.500 2.822 2.100 3.339 . 0 0 "[ . 1 . 2]" 1
842 1 89 LEU MD1 1 111 LEU MD1 4.500 . 4.500 2.726 2.356 3.121 . 0 0 "[ . 1 . 2]" 1
843 1 89 LEU MD1 1 111 LEU MD2 5.500 . 5.500 2.905 2.492 3.387 . 0 0 "[ . 1 . 2]" 1
844 1 89 LEU MD2 1 93 TYR QD 6.000 . 6.000 3.722 3.130 4.306 . 0 0 "[ . 1 . 2]" 1
845 1 89 LEU MD2 1 93 TYR QE 5.000 . 5.000 2.599 1.910 3.463 . 0 0 "[ . 1 . 2]" 1
846 1 89 LEU MD2 1 110 PHE QD 4.500 . 4.500 2.691 2.290 2.919 . 0 0 "[ . 1 . 2]" 1
847 1 89 LEU MD2 1 110 PHE QE 5.000 . 5.000 2.197 1.825 2.603 . 0 0 "[ . 1 . 2]" 1
848 1 89 LEU MD2 1 110 PHE HZ 5.500 . 5.500 3.909 3.374 4.581 . 0 0 "[ . 1 . 2]" 1
849 1 89 LEU MD2 1 111 LEU MD1 6.000 . 6.000 3.589 2.912 4.079 . 0 0 "[ . 1 . 2]" 1
850 1 89 LEU MD2 1 111 LEU MD2 6.000 . 6.000 3.436 2.881 3.831 . 0 0 "[ . 1 . 2]" 1
851 1 89 LEU HA 1 89 LEU MD2 3.300 . 3.300 2.154 1.944 2.484 . 0 0 "[ . 1 . 2]" 1
852 1 89 LEU H 1 89 LEU MD2 5.500 . 5.500 3.326 3.070 3.638 . 0 0 "[ . 1 . 2]" 1
853 1 89 LEU MD2 1 92 LEU MD1 6.000 . 6.000 3.451 2.857 3.868 . 0 0 "[ . 1 . 2]" 1
854 1 89 LEU MD2 1 92 LEU MD2 6.000 . 6.000 3.496 3.014 3.821 . 0 0 "[ . 1 . 2]" 1
855 1 89 LEU HG 1 110 PHE QE 6.500 . 6.500 4.088 3.444 4.698 . 0 0 "[ . 1 . 2]" 1
856 1 89 LEU HG 1 90 ASN H 5.000 . 5.000 4.107 3.821 4.454 . 0 0 "[ . 1 . 2]" 1
857 1 89 LEU H 1 89 LEU HG 5.000 . 5.000 2.251 1.989 2.802 . 0 0 "[ . 1 . 2]" 1
858 1 89 LEU H 1 90 ASN H 3.100 . 3.100 2.367 2.292 2.539 . 0 0 "[ . 1 . 2]" 1
859 1 90 ASN HA 1 94 ASN H 5.000 . 5.000 3.957 3.347 4.608 . 0 0 "[ . 1 . 2]" 1
860 1 90 ASN QB 1 91 GLU H 3.300 . 3.300 2.313 2.116 2.422 . 0 0 "[ . 1 . 2]" 1
861 1 90 ASN H 1 90 ASN QD 4.000 . 4.000 2.885 2.168 3.568 . 0 0 "[ . 1 . 2]" 1
862 1 91 GLU QB 1 92 LEU H 4.000 . 4.000 3.059 2.464 3.181 . 0 0 "[ . 1 . 2]" 1
863 1 91 GLU H 1 92 LEU H 2.800 . 2.800 2.641 2.532 2.812 0.012 1 0 "[ . 1 . 2]" 1
864 1 92 LEU HA 1 94 ASN H 5.000 . 5.000 4.197 3.895 4.563 . 0 0 "[ . 1 . 2]" 1
865 1 92 LEU QB 1 93 TYR H 4.000 . 4.000 2.137 2.092 2.244 . 0 0 "[ . 1 . 2]" 1
866 1 92 LEU MD1 1 93 TYR QE 5.500 . 5.500 4.083 4.073 4.088 . 0 0 "[ . 1 . 2]" 1
867 1 92 LEU MD1 1 93 TYR H 5.500 . 5.500 4.527 4.445 4.587 . 0 0 "[ . 1 . 2]" 1
868 1 92 LEU MD1 1 101 TRP HA 5.500 . 5.500 3.904 3.528 4.157 . 0 0 "[ . 1 . 2]" 1
869 1 92 LEU MD1 1 101 TRP QB 4.500 . 4.500 2.166 1.901 2.423 . 0 0 "[ . 1 . 2]" 1
870 1 92 LEU MD1 1 102 ARG H 5.500 . 5.500 4.574 4.409 4.592 . 0 0 "[ . 1 . 2]" 1
871 1 92 LEU MD1 1 107 ALA MB 6.000 . 6.000 3.471 3.082 3.948 . 0 0 "[ . 1 . 2]" 1
872 1 92 LEU HA 1 92 LEU MD1 4.000 . 4.000 3.356 3.330 3.381 . 0 0 "[ . 1 . 2]" 1
873 1 92 LEU H 1 92 LEU MD1 5.500 . 5.500 4.200 4.032 4.271 . 0 0 "[ . 1 . 2]" 1
874 1 92 LEU MD2 1 93 TYR HA 5.500 . 5.500 2.900 2.645 3.234 . 0 0 "[ . 1 . 2]" 1
875 1 92 LEU MD2 1 93 TYR QD 4.500 . 4.500 2.352 1.859 3.191 . 0 0 "[ . 1 . 2]" 1
876 1 92 LEU MD2 1 93 TYR QE 4.500 . 4.500 2.485 2.150 3.017 . 0 0 "[ . 1 . 2]" 1
877 1 92 LEU MD2 1 93 TYR H 5.500 . 5.500 3.051 2.858 3.256 . 0 0 "[ . 1 . 2]" 1
878 1 92 LEU MD2 1 102 ARG HA 4.000 . 4.000 2.113 1.884 2.402 . 0 0 "[ . 1 . 2]" 1
879 1 92 LEU MD2 1 102 ARG QB 4.500 . 4.500 1.924 1.808 2.137 . 0 0 "[ . 1 . 2]" 1
880 1 92 LEU MD2 1 102 ARG QG 5.500 . 5.500 3.599 3.227 3.829 . 0 0 "[ . 1 . 2]" 1
881 1 92 LEU MD2 1 102 ARG H 5.500 . 5.500 3.193 2.570 3.798 . 0 0 "[ . 1 . 2]" 1
882 1 92 LEU MD2 1 107 ALA HA 5.500 . 5.500 4.400 4.112 4.587 . 0 0 "[ . 1 . 2]" 1
883 1 92 LEU MD2 1 107 ALA MB 4.500 . 4.500 2.653 2.302 2.890 . 0 0 "[ . 1 . 2]" 1
884 1 92 LEU HA 1 92 LEU MD2 4.000 . 4.000 3.352 3.333 3.373 . 0 0 "[ . 1 . 2]" 1
885 1 92 LEU HG 1 93 TYR H 5.000 . 5.000 4.341 4.200 4.494 . 0 0 "[ . 1 . 2]" 1
886 1 92 LEU H 1 93 TYR H 2.800 . 2.800 2.610 2.524 2.796 . 0 0 "[ . 1 . 2]" 1
887 1 92 LEU H 1 92 LEU MD2 5.500 . 5.500 4.243 4.171 4.321 . 0 0 "[ . 1 . 2]" 1
888 1 92 LEU H 1 92 LEU HG 5.000 . 5.000 4.433 4.357 4.464 . 0 0 "[ . 1 . 2]" 1
889 1 93 TYR HA 1 95 ASP H 5.000 . 5.000 3.797 3.575 4.003 . 0 0 "[ . 1 . 2]" 1
890 1 93 TYR QB 1 94 ASN H 5.000 . 5.000 2.995 2.695 3.269 . 0 0 "[ . 1 . 2]" 1
891 1 93 TYR QE 1 107 ALA MB 5.000 . 5.000 3.405 2.582 3.717 . 0 0 "[ . 1 . 2]" 1
892 1 93 TYR QE 1 111 LEU MD1 6.000 . 6.000 2.850 2.066 3.901 . 0 0 "[ . 1 . 2]" 1
893 1 93 TYR QE 1 111 LEU MD2 6.000 . 6.000 4.286 3.390 4.458 . 0 0 "[ . 1 . 2]" 1
894 1 93 TYR QE 1 113 LEU MD1 5.500 . 5.500 3.175 1.937 4.087 . 0 0 "[ . 1 . 2]" 1
895 1 93 TYR H 1 93 TYR QD 4.000 . 4.000 2.494 2.140 3.118 . 0 0 "[ . 1 . 2]" 1
896 1 93 TYR H 1 94 ASN H 3.500 . 3.500 2.601 2.414 2.717 . 0 0 "[ . 1 . 2]" 1
897 1 94 ASN QB 1 95 ASP H 5.500 . 5.500 3.982 3.914 4.066 . 0 0 "[ . 1 . 2]" 1
898 1 94 ASN H 1 94 ASN QB 3.500 . 3.500 2.330 2.167 2.629 . 0 0 "[ . 1 . 2]" 1
899 1 94 ASN H 1 95 ASP H 3.500 . 3.500 3.424 3.157 3.516 0.016 20 0 "[ . 1 . 2]" 1
900 1 95 ASP HA 1 96 ARG H 2.800 . 2.800 2.205 2.140 2.296 . 0 0 "[ . 1 . 2]" 1
901 1 95 ASP HA 1 97 PHE H 5.000 . 5.000 4.177 3.691 5.004 0.004 7 0 "[ . 1 . 2]" 1
902 1 95 ASP QB 1 96 ARG H 4.000 . 4.000 3.102 2.660 3.565 . 0 0 "[ . 1 . 2]" 1
903 1 95 ASP H 1 95 ASP QB 3.500 . 3.500 2.495 2.252 2.786 . 0 0 "[ . 1 . 2]" 1
904 1 95 ASP H 1 96 ARG H 5.000 . 5.000 4.445 4.180 4.633 . 0 0 "[ . 1 . 2]" 1
905 1 95 ASP H 1 102 ARG QD 5.500 . 5.500 3.717 2.542 4.911 . 0 0 "[ . 1 . 2]" 1
906 1 96 ARG HA 1 98 ASP H 5.000 . 5.000 4.900 4.487 5.021 0.021 12 0 "[ . 1 . 2]" 1
907 1 96 ARG QB 1 97 PHE H 4.000 . 4.000 2.914 2.019 3.534 . 0 0 "[ . 1 . 2]" 1
908 1 96 ARG HA 1 96 ARG QG 4.000 . 4.000 3.110 2.434 3.444 . 0 0 "[ . 1 . 2]" 1
909 1 96 ARG H 1 96 ARG QG 3.300 . 3.300 2.282 1.879 2.943 . 0 0 "[ . 1 . 2]" 1
910 1 96 ARG QG 1 97 PHE QD 5.500 . 5.500 3.259 1.886 4.366 . 0 0 "[ . 1 . 2]" 1
911 1 96 ARG H 1 96 ARG QB 3.500 . 3.500 2.867 2.458 3.167 . 0 0 "[ . 1 . 2]" 1
912 1 96 ARG H 1 97 PHE H 2.800 . 2.800 2.214 1.978 2.737 . 0 0 "[ . 1 . 2]" 1
913 1 96 ARG H 1 98 ASP H 5.000 . 5.000 3.408 2.856 3.861 . 0 0 "[ . 1 . 2]" 1
914 1 97 PHE QB 1 98 ASP H 4.000 . 4.000 2.695 2.362 3.505 . 0 0 "[ . 1 . 2]" 1
915 1 97 PHE H 1 97 PHE QD 4.500 . 4.500 2.800 1.981 4.011 . 0 0 "[ . 1 . 2]" 1
916 1 97 PHE QD 1 98 ASP H 5.500 . 5.500 4.169 2.667 4.641 . 0 0 "[ . 1 . 2]" 1
917 1 97 PHE H 1 97 PHE QB 3.500 . 3.500 2.344 2.102 2.954 . 0 0 "[ . 1 . 2]" 1
918 1 97 PHE H 1 98 ASP QB 5.500 . 5.500 4.665 4.040 4.906 . 0 0 "[ . 1 . 2]" 1
919 1 97 PHE H 1 98 ASP H 2.800 . 2.800 2.352 1.797 2.668 0.003 12 0 "[ . 1 . 2]" 1
920 1 98 ASP HA 1 99 SER H 2.800 . 2.800 2.153 2.137 2.167 . 0 0 "[ . 1 . 2]" 1
921 1 98 ASP HA 1 100 ARG H 3.500 . 3.500 3.512 3.478 3.529 0.029 19 0 "[ . 1 . 2]" 1
922 1 98 ASP QB 1 99 SER H 4.000 . 4.000 3.554 3.471 3.592 . 0 0 "[ . 1 . 2]" 1
923 1 98 ASP H 1 98 ASP QB 3.300 . 3.300 2.626 2.480 2.903 . 0 0 "[ . 1 . 2]" 1
924 1 98 ASP H 1 99 SER H 5.000 . 5.000 4.046 3.882 4.169 . 0 0 "[ . 1 . 2]" 1
925 1 99 SER HA 1 101 TRP H 5.000 . 5.000 3.368 3.214 3.627 . 0 0 "[ . 1 . 2]" 1
926 1 99 SER HA 1 102 ARG QD 5.500 . 5.500 3.276 2.763 4.094 . 0 0 "[ . 1 . 2]" 1
927 1 99 SER HA 1 103 ASP H 5.000 . 5.000 4.317 4.201 4.603 . 0 0 "[ . 1 . 2]" 1
928 1 99 SER QB 1 102 ARG HE 5.500 . 5.500 3.982 2.272 4.476 . 0 0 "[ . 1 . 2]" 1
929 1 99 SER QB 1 102 ARG H 4.000 . 4.000 3.581 3.549 3.594 . 0 0 "[ . 1 . 2]" 1
930 1 99 SER H 1 99 SER QB 3.500 . 3.500 2.925 2.489 3.094 . 0 0 "[ . 1 . 2]" 1
931 1 99 SER H 1 100 ARG H 2.800 . 2.800 2.612 2.416 2.696 . 0 0 "[ . 1 . 2]" 1
932 1 100 ARG QB 1 101 TRP HE1 5.500 . 5.500 4.788 4.480 4.916 . 0 0 "[ . 1 . 2]" 1
933 1 100 ARG QB 1 101 TRP H 4.000 . 4.000 2.859 2.556 3.397 . 0 0 "[ . 1 . 2]" 1
934 1 100 ARG QD 1 101 TRP H 5.500 . 5.500 4.550 3.564 4.922 . 0 0 "[ . 1 . 2]" 1
935 1 100 ARG HA 1 100 ARG HE 5.000 . 5.000 4.567 4.198 5.028 0.028 9 0 "[ . 1 . 2]" 1
936 1 100 ARG H 1 100 ARG HE 5.000 . 5.000 3.230 2.157 4.939 . 0 0 "[ . 1 . 2]" 1
937 1 100 ARG HE 1 101 TRP HE1 5.000 . 5.000 4.421 3.665 5.011 0.011 20 0 "[ . 1 . 2]" 1
938 1 100 ARG HE 1 101 TRP H 5.000 . 5.000 4.101 3.183 5.017 0.017 5 0 "[ . 1 . 2]" 1
939 1 100 ARG QG 1 101 TRP H 4.500 . 4.500 3.715 1.936 4.035 . 0 0 "[ . 1 . 2]" 1
940 1 100 ARG H 1 100 ARG QD 5.500 . 5.500 3.280 2.134 3.844 . 0 0 "[ . 1 . 2]" 1
941 1 100 ARG H 1 100 ARG QG 4.000 . 4.000 1.943 1.896 2.081 . 0 0 "[ . 1 . 2]" 1
942 1 100 ARG H 1 101 TRP H 3.500 . 3.500 2.660 2.582 2.843 . 0 0 "[ . 1 . 2]" 1
943 1 101 TRP HA 1 104 THR MG 5.500 . 5.500 4.198 4.008 4.512 . 0 0 "[ . 1 . 2]" 1
944 1 101 TRP HA 1 104 THR H 5.000 . 5.000 4.053 3.815 4.318 . 0 0 "[ . 1 . 2]" 1
945 1 101 TRP H 1 101 TRP HD1 3.500 . 3.500 2.807 2.176 3.177 . 0 0 "[ . 1 . 2]" 1
946 1 101 TRP H 1 101 TRP HE3 5.000 . 5.000 4.768 4.563 5.013 0.013 5 0 "[ . 1 . 2]" 1
947 1 101 TRP H 1 101 TRP QB 3.500 . 3.500 2.481 2.373 2.560 . 0 0 "[ . 1 . 2]" 1
948 1 101 TRP H 1 101 TRP HE1 5.000 . 5.000 4.564 4.154 4.902 . 0 0 "[ . 1 . 2]" 1
949 1 101 TRP H 1 102 ARG H 3.500 . 3.500 2.657 2.543 2.811 . 0 0 "[ . 1 . 2]" 1
950 1 101 TRP H 1 103 ASP H 5.000 . 5.000 3.793 3.673 3.952 . 0 0 "[ . 1 . 2]" 1
951 1 102 ARG HA 1 104 THR H 5.000 . 5.000 3.949 3.775 4.107 . 0 0 "[ . 1 . 2]" 1
952 1 102 ARG HA 1 107 ALA MB 3.300 . 3.300 2.172 1.886 2.593 . 0 0 "[ . 1 . 2]" 1
953 1 102 ARG QB 1 103 ASP H 5.500 . 5.500 3.608 3.269 3.905 . 0 0 "[ . 1 . 2]" 1
954 1 102 ARG H 1 102 ARG QD 4.000 . 4.000 3.492 2.978 3.602 . 0 0 "[ . 1 . 2]" 1
955 1 102 ARG QD 1 103 ASP H 5.500 . 5.500 3.907 2.571 4.580 . 0 0 "[ . 1 . 2]" 1
956 1 102 ARG HA 1 102 ARG HE 5.500 . 5.500 4.944 4.316 5.536 0.036 14 0 "[ . 1 . 2]" 1
957 1 102 ARG QG 1 103 ASP H 4.000 . 4.000 2.478 2.141 3.127 . 0 0 "[ . 1 . 2]" 1
958 1 102 ARG H 1 102 ARG QG 4.000 . 4.000 2.020 1.855 3.368 . 0 0 "[ . 1 . 2]" 1
959 1 102 ARG H 1 103 ASP H 2.800 . 2.800 2.292 2.033 2.406 . 0 0 "[ . 1 . 2]" 1
960 1 103 ASP QB 1 104 THR H 5.000 . 5.000 2.866 2.750 3.037 . 0 0 "[ . 1 . 2]" 1
961 1 103 ASP H 1 103 ASP QB 2.800 . 2.800 2.181 2.069 2.385 . 0 0 "[ . 1 . 2]" 1
962 1 103 ASP H 1 104 THR H 3.500 . 3.500 2.547 2.113 2.763 . 0 0 "[ . 1 . 2]" 1
963 1 104 THR HA 1 105 LYS H 2.800 . 2.800 2.233 2.187 2.337 . 0 0 "[ . 1 . 2]" 1
964 1 104 THR HA 1 106 ILE H 5.000 . 5.000 3.995 3.881 4.141 . 0 0 "[ . 1 . 2]" 1
965 1 104 THR HB 1 105 LYS H 3.500 . 3.500 3.366 3.065 3.506 0.006 5 0 "[ . 1 . 2]" 1
966 1 104 THR HB 1 106 ILE MD 5.500 . 5.500 3.121 2.923 3.357 . 0 0 "[ . 1 . 2]" 1
967 1 104 THR HB 1 106 ILE MG 5.500 . 5.500 3.875 3.722 3.965 . 0 0 "[ . 1 . 2]" 1
968 1 104 THR HB 1 106 ILE H 3.500 . 3.500 2.737 2.578 2.896 . 0 0 "[ . 1 . 2]" 1
969 1 104 THR HB 1 107 ALA MB 5.500 . 5.500 2.902 2.761 3.011 . 0 0 "[ . 1 . 2]" 1
970 1 104 THR HB 1 107 ALA H 3.500 . 3.500 2.339 2.247 2.447 . 0 0 "[ . 1 . 2]" 1
971 1 104 THR HA 1 104 THR MG 3.300 . 3.300 2.032 1.981 2.131 . 0 0 "[ . 1 . 2]" 1
972 1 104 THR H 1 104 THR MG 4.000 . 4.000 3.363 3.351 3.383 . 0 0 "[ . 1 . 2]" 1
973 1 104 THR MG 1 105 LYS H 4.000 . 4.000 2.830 2.611 3.016 . 0 0 "[ . 1 . 2]" 1
974 1 104 THR MG 1 106 ILE MD 6.000 . 6.000 2.610 2.409 3.294 . 0 0 "[ . 1 . 2]" 1
975 1 104 THR MG 1 106 ILE MG 4.500 . 4.500 3.128 3.124 3.131 . 0 0 "[ . 1 . 2]" 1
976 1 104 THR MG 1 106 ILE H 4.000 . 4.000 2.928 2.820 3.042 . 0 0 "[ . 1 . 2]" 1
977 1 104 THR MG 1 107 ALA H 5.500 . 5.500 3.855 3.751 3.974 . 0 0 "[ . 1 . 2]" 1
978 1 104 THR H 1 104 THR HB 4.000 . 4.000 3.218 3.194 3.244 . 0 0 "[ . 1 . 2]" 1
979 1 104 THR H 1 105 LYS H 5.000 . 5.000 4.620 4.597 4.643 . 0 0 "[ . 1 . 2]" 1
980 1 104 THR H 1 107 ALA MB 4.000 . 4.000 3.337 3.332 3.346 . 0 0 "[ . 1 . 2]" 1
981 1 104 THR H 1 107 ALA H 5.000 . 5.000 4.578 4.529 4.644 . 0 0 "[ . 1 . 2]" 1
982 1 105 LYS HA 1 108 GLN H 3.500 . 3.500 3.404 3.286 3.503 0.003 11 0 "[ . 1 . 2]" 1
983 1 105 LYS QB 1 106 ILE H 4.000 . 4.000 2.914 2.696 3.550 . 0 0 "[ . 1 . 2]" 1
984 1 105 LYS H 1 105 LYS QB 3.300 . 3.300 2.249 2.043 2.678 . 0 0 "[ . 1 . 2]" 1
985 1 105 LYS H 1 106 ILE H 3.500 . 3.500 2.617 2.489 2.676 . 0 0 "[ . 1 . 2]" 1
986 1 105 LYS H 1 107 ALA H 5.000 . 5.000 4.238 4.145 4.314 . 0 0 "[ . 1 . 2]" 1
987 1 106 ILE HA 1 109 ASP QB 5.500 . 5.500 2.879 2.690 3.205 . 0 0 "[ . 1 . 2]" 1
988 1 106 ILE HA 1 109 ASP H 3.500 . 3.500 3.512 3.500 3.523 0.023 14 0 "[ . 1 . 2]" 1
989 1 106 ILE HA 1 110 PHE H 5.000 . 5.000 4.388 4.093 4.700 . 0 0 "[ . 1 . 2]" 1
990 1 106 ILE H 1 106 ILE QG 4.000 . 4.000 2.032 1.942 2.306 . 0 0 "[ . 1 . 2]" 1
991 1 106 ILE HA 1 106 ILE MG 3.300 . 3.300 2.336 2.170 2.457 . 0 0 "[ . 1 . 2]" 1
992 1 106 ILE H 1 106 ILE MG 4.000 . 4.000 2.222 2.030 2.467 . 0 0 "[ . 1 . 2]" 1
993 1 106 ILE MG 1 107 ALA H 5.500 . 5.500 3.905 3.818 4.017 . 0 0 "[ . 1 . 2]" 1
994 1 106 ILE H 1 107 ALA H 3.500 . 3.500 2.624 2.555 2.686 . 0 0 "[ . 1 . 2]" 1
995 1 106 ILE H 1 108 GLN H 5.000 . 5.000 4.142 3.985 4.365 . 0 0 "[ . 1 . 2]" 1
996 1 107 ALA HA 1 110 PHE QB 5.500 . 5.500 2.413 2.188 2.705 . 0 0 "[ . 1 . 2]" 1
997 1 107 ALA H 1 107 ALA MB 3.300 . 3.300 2.123 2.086 2.209 . 0 0 "[ . 1 . 2]" 1
998 1 107 ALA MB 1 108 GLN QE 6.000 . 6.000 3.900 3.177 4.367 . 0 0 "[ . 1 . 2]" 1
999 1 107 ALA MB 1 108 GLN QG 6.000 . 6.000 3.308 3.073 3.678 . 0 0 "[ . 1 . 2]" 1
1000 1 107 ALA MB 1 108 GLN H 4.000 . 4.000 2.674 2.549 2.837 . 0 0 "[ . 1 . 2]" 1
1001 1 107 ALA MB 1 109 ASP H 5.500 . 5.500 4.490 4.351 4.584 . 0 0 "[ . 1 . 2]" 1
1002 1 107 ALA MB 1 110 PHE QB 6.000 . 6.000 3.730 3.563 3.934 . 0 0 "[ . 1 . 2]" 1
1003 1 107 ALA H 1 108 GLN H 3.500 . 3.500 2.598 2.492 2.724 . 0 0 "[ . 1 . 2]" 1
1004 1 107 ALA H 1 109 ASP H 5.000 . 5.000 4.039 3.855 4.192 . 0 0 "[ . 1 . 2]" 1
1005 1 108 GLN HA 1 113 LEU H 5.000 . 5.000 4.070 3.712 4.482 . 0 0 "[ . 1 . 2]" 1
1006 1 108 GLN H 1 108 GLN QB 3.300 . 3.300 2.422 2.188 2.660 . 0 0 "[ . 1 . 2]" 1
1007 1 108 GLN QB 1 109 ASP H 3.300 . 3.300 2.696 2.525 2.903 . 0 0 "[ . 1 . 2]" 1
1008 1 108 GLN QB 1 113 LEU MD1 6.000 . 6.000 3.387 3.066 3.819 . 0 0 "[ . 1 . 2]" 1
1009 1 108 GLN HA 1 108 GLN QE 5.000 . 5.000 3.157 2.242 4.324 . 0 0 "[ . 1 . 2]" 1
1010 1 108 GLN QE 1 113 LEU MD1 5.500 . 5.500 3.137 2.026 4.092 . 0 0 "[ . 1 . 2]" 1
1011 1 108 GLN QG 1 113 LEU MD1 5.500 . 5.500 3.705 2.407 4.078 . 0 0 "[ . 1 . 2]" 1
1012 1 108 GLN H 1 108 GLN QE 5.500 . 5.500 4.058 3.456 4.585 . 0 0 "[ . 1 . 2]" 1
1013 1 108 GLN H 1 108 GLN QG 3.300 . 3.300 2.331 1.976 2.957 . 0 0 "[ . 1 . 2]" 1
1014 1 108 GLN H 1 109 ASP H 2.800 . 2.800 2.589 2.507 2.682 . 0 0 "[ . 1 . 2]" 1
1015 1 108 GLN H 1 110 PHE H 5.000 . 5.000 3.859 3.797 3.981 . 0 0 "[ . 1 . 2]" 1
1016 1 109 ASP HA 1 110 PHE H 5.000 . 5.000 3.423 3.390 3.468 . 0 0 "[ . 1 . 2]" 1
1017 1 109 ASP HA 1 112 GLN H 3.500 . 3.500 3.213 3.101 3.489 . 0 0 "[ . 1 . 2]" 1
1018 1 109 ASP HA 1 113 LEU H 5.000 . 5.000 2.982 2.670 3.338 . 0 0 "[ . 1 . 2]" 1
1019 1 109 ASP QB 1 110 PHE H 4.000 . 4.000 3.073 2.904 3.168 . 0 0 "[ . 1 . 2]" 1
1020 1 109 ASP H 1 109 ASP QB 2.800 . 2.800 2.233 2.113 2.444 . 0 0 "[ . 1 . 2]" 1
1021 1 109 ASP H 1 110 PHE H 3.500 . 3.500 2.425 2.253 2.616 . 0 0 "[ . 1 . 2]" 1
1022 1 109 ASP H 1 113 LEU MD1 5.500 . 5.500 4.492 4.195 4.589 . 0 0 "[ . 1 . 2]" 1
1023 1 110 PHE HA 1 112 GLN H 5.000 . 5.000 4.041 3.870 4.097 . 0 0 "[ . 1 . 2]" 1
1024 1 110 PHE QB 1 111 LEU H 4.000 . 4.000 2.407 2.395 2.448 . 0 0 "[ . 1 . 2]" 1
1025 1 110 PHE H 1 110 PHE QD 4.500 . 4.500 4.030 4.004 4.072 . 0 0 "[ . 1 . 2]" 1
1026 1 110 PHE QD 1 111 LEU MD1 6.000 . 6.000 3.631 3.438 4.111 . 0 0 "[ . 1 . 2]" 1
1027 1 110 PHE QD 1 111 LEU MD2 4.500 . 4.500 2.298 1.854 2.724 . 0 0 "[ . 1 . 2]" 1
1028 1 110 PHE QD 1 111 LEU HG 5.500 . 5.500 2.660 2.400 3.469 . 0 0 "[ . 1 . 2]" 1
1029 1 110 PHE QD 1 111 LEU H 4.500 . 4.500 3.936 3.822 4.012 . 0 0 "[ . 1 . 2]" 1
1030 1 110 PHE QD 1 113 LEU MD1 6.500 . 6.500 4.814 4.683 4.834 . 0 0 "[ . 1 . 2]" 1
1031 1 110 PHE QE 1 111 LEU MD1 6.500 . 6.500 4.517 4.340 4.708 . 0 0 "[ . 1 . 2]" 1
1032 1 110 PHE QE 1 111 LEU MD2 5.000 . 5.000 3.047 2.829 3.325 . 0 0 "[ . 1 . 2]" 1
1033 1 110 PHE H 1 110 PHE QB 3.300 . 3.300 2.189 2.179 2.206 . 0 0 "[ . 1 . 2]" 1
1034 1 110 PHE H 1 111 LEU H 3.500 . 3.500 2.878 2.808 2.920 . 0 0 "[ . 1 . 2]" 1
1035 1 110 PHE H 1 112 GLN H 5.000 . 5.000 4.013 3.919 4.146 . 0 0 "[ . 1 . 2]" 1
1036 1 110 PHE H 1 113 LEU MD1 5.500 . 5.500 4.051 3.685 4.318 . 0 0 "[ . 1 . 2]" 1
1037 1 111 LEU QB 1 112 GLN H 4.500 . 4.500 3.730 3.667 3.760 . 0 0 "[ . 1 . 2]" 1
1038 1 111 LEU QB 1 113 LEU H 5.500 . 5.500 3.782 3.581 3.986 . 0 0 "[ . 1 . 2]" 1
1039 1 111 LEU H 1 111 LEU MD1 5.500 . 5.500 4.182 4.044 4.367 . 0 0 "[ . 1 . 2]" 1
1040 1 111 LEU MD1 1 113 LEU MD1 5.500 . 5.500 3.266 2.633 3.822 . 0 0 "[ . 1 . 2]" 1
1041 1 111 LEU MD1 1 113 LEU MD2 5.500 . 5.500 2.806 2.564 3.142 . 0 0 "[ . 1 . 2]" 1
1042 1 111 LEU HA 1 111 LEU MD2 3.300 . 3.300 1.970 1.896 2.090 . 0 0 "[ . 1 . 2]" 1
1043 1 111 LEU H 1 111 LEU MD2 4.000 . 4.000 3.167 2.551 3.336 . 0 0 "[ . 1 . 2]" 1
1044 1 111 LEU MD2 1 112 GLN H 5.500 . 5.500 4.257 4.038 4.380 . 0 0 "[ . 1 . 2]" 1
1045 1 111 LEU H 1 111 LEU HG 3.500 . 3.500 2.918 2.704 3.502 0.002 13 0 "[ . 1 . 2]" 1
1046 1 111 LEU H 1 112 GLN H 2.800 . 2.800 2.623 2.541 2.786 . 0 0 "[ . 1 . 2]" 1
1047 1 111 LEU H 1 113 LEU MD1 5.500 . 5.500 2.869 2.692 2.978 . 0 0 "[ . 1 . 2]" 1
1048 1 111 LEU H 1 113 LEU MD2 5.500 . 5.500 3.879 3.730 4.086 . 0 0 "[ . 1 . 2]" 1
1049 1 111 LEU H 1 113 LEU H 5.000 . 5.000 3.376 3.227 3.536 . 0 0 "[ . 1 . 2]" 1
1050 1 112 GLN HA 1 113 LEU H 2.800 . 2.800 2.730 2.623 2.808 0.008 13 0 "[ . 1 . 2]" 1
1051 1 112 GLN HA 1 114 SER H 5.000 . 5.000 3.324 3.230 3.379 . 0 0 "[ . 1 . 2]" 1
1052 1 112 GLN QB 1 113 LEU H 5.500 . 5.500 3.893 3.829 4.039 . 0 0 "[ . 1 . 2]" 1
1053 1 112 GLN H 1 112 GLN QG 4.000 . 4.000 2.808 2.597 3.452 . 0 0 "[ . 1 . 2]" 1
1054 1 112 GLN QG 1 113 LEU H 5.500 . 5.500 4.451 3.965 4.750 . 0 0 "[ . 1 . 2]" 1
1055 1 112 GLN H 1 113 LEU MD2 5.500 . 5.500 4.476 4.396 4.563 . 0 0 "[ . 1 . 2]" 1
1056 1 112 GLN H 1 113 LEU H 3.500 . 3.500 2.776 2.709 2.944 . 0 0 "[ . 1 . 2]" 1
1057 1 112 GLN H 1 114 SER H 5.000 . 5.000 5.019 5.003 5.054 0.054 9 0 "[ . 1 . 2]" 1
1058 1 113 LEU HA 1 114 SER H 2.800 . 2.800 2.812 2.782 2.856 0.056 9 0 "[ . 1 . 2]" 1
1059 1 113 LEU H 1 113 LEU MD1 4.000 . 4.000 3.335 3.294 3.345 . 0 0 "[ . 1 . 2]" 1
1060 1 113 LEU HA 1 113 LEU MD2 3.300 . 3.300 2.583 2.370 2.711 . 0 0 "[ . 1 . 2]" 1
1061 1 113 LEU H 1 113 LEU MD2 4.000 . 4.000 3.340 3.334 3.346 . 0 0 "[ . 1 . 2]" 1
1062 1 114 SER HA 1 115 LYS H 2.800 . 2.800 2.483 2.150 2.805 0.005 13 0 "[ . 1 . 2]" 1
1063 1 114 SER QB 1 115 LYS H 4.000 . 4.000 2.811 1.960 3.573 . 0 0 "[ . 1 . 2]" 1
1064 1 115 LYS HA 1 116 PRO QD 2.800 . 2.800 2.016 1.913 2.132 . 0 0 "[ . 1 . 2]" 1
1065 1 115 LYS H 1 115 LYS QB 3.500 . 3.500 2.485 2.076 3.094 . 0 0 "[ . 1 . 2]" 1
1066 1 116 PRO QB 1 117 ASN H 4.000 . 4.000 3.246 2.848 3.555 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 98
_Distance_constraint_stats_list.Viol_count 169
_Distance_constraint_stats_list.Viol_total 20.190
_Distance_constraint_stats_list.Viol_max 0.036
_Distance_constraint_stats_list.Viol_rms 0.0023
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0060
_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 9 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LYS 0.024 0.008 2 0 "[ . 1 . 2]"
1 16 ASN 0.051 0.012 5 0 "[ . 1 . 2]"
1 19 TYR 0.051 0.012 5 0 "[ . 1 . 2]"
1 21 LEU 0.024 0.008 2 0 "[ . 1 . 2]"
1 22 TYR 0.010 0.010 20 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 THR 0.083 0.011 18 0 "[ . 1 . 2]"
1 29 LYS 0.083 0.011 18 0 "[ . 1 . 2]"
1 31 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 0.010 0.010 20 0 "[ . 1 . 2]"
1 34 ARG 0.105 0.025 1 0 "[ . 1 . 2]"
1 35 TYR 0.152 0.036 17 0 "[ . 1 . 2]"
1 36 SER 0.022 0.008 18 0 "[ . 1 . 2]"
1 37 GLU 0.061 0.018 3 0 "[ . 1 . 2]"
1 38 PHE 0.134 0.025 1 0 "[ . 1 . 2]"
1 39 TRP 0.152 0.036 17 0 "[ . 1 . 2]"
1 40 LYS 0.022 0.008 18 0 "[ . 1 . 2]"
1 41 LEU 0.083 0.018 3 0 "[ . 1 . 2]"
1 42 LYS 0.035 0.008 16 0 "[ . 1 . 2]"
1 43 THR 0.007 0.007 8 0 "[ . 1 . 2]"
1 44 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.028 0.008 16 0 "[ . 1 . 2]"
1 47 ARG 0.007 0.007 8 0 "[ . 1 . 2]"
1 48 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ILE 0.032 0.017 10 0 "[ . 1 . 2]"
1 55 TYR 0.032 0.017 10 0 "[ . 1 . 2]"
1 71 ARG 0.004 0.004 13 0 "[ . 1 . 2]"
1 74 ASP 0.081 0.014 12 0 "[ . 1 . 2]"
1 75 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 MET 0.077 0.014 12 0 "[ . 1 . 2]"
1 78 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLY 0.045 0.006 16 0 "[ . 1 . 2]"
1 85 LEU 0.043 0.016 12 0 "[ . 1 . 2]"
1 86 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ARG 0.064 0.025 12 0 "[ . 1 . 2]"
1 88 PHE 0.051 0.006 16 0 "[ . 1 . 2]"
1 89 LEU 0.067 0.016 12 0 "[ . 1 . 2]"
1 90 ASN 0.002 0.002 14 0 "[ . 1 . 2]"
1 91 GLU 0.064 0.025 12 0 "[ . 1 . 2]"
1 92 LEU 0.030 0.009 3 0 "[ . 1 . 2]"
1 93 TYR 0.001 0.001 18 0 "[ . 1 . 2]"
1 94 ASN 0.002 0.002 14 0 "[ . 1 . 2]"
1 95 ASP 0.001 0.001 18 0 "[ . 1 . 2]"
1 99 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ARG 0.072 0.013 16 0 "[ . 1 . 2]"
1 103 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 THR 0.080 0.013 16 0 "[ . 1 . 2]"
1 105 LYS 0.006 0.006 15 0 "[ . 1 . 2]"
1 106 ILE 0.006 0.005 15 0 "[ . 1 . 2]"
1 107 ALA 0.048 0.009 13 0 "[ . 1 . 2]"
1 108 GLN 0.008 0.006 10 0 "[ . 1 . 2]"
1 109 ASP 0.006 0.006 15 0 "[ . 1 . 2]"
1 110 PHE 0.054 0.009 13 0 "[ . 1 . 2]"
1 112 GLN 0.000 0.000 . 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 9 LYS O 1 25 SER H 2.000 . 2.500 1.958 1.685 2.468 . 0 0 "[ . 1 . 2]" 2
2 1 9 LYS O 1 25 SER N 3.000 2.300 3.500 2.795 2.571 3.325 . 0 0 "[ . 1 . 2]" 2
3 1 12 ASP O 1 23 GLY H 2.000 . 2.500 1.673 1.650 1.716 . 0 0 "[ . 1 . 2]" 2
4 1 12 ASP O 1 23 GLY N 3.000 2.300 3.500 2.631 2.597 2.658 . 0 0 "[ . 1 . 2]" 2
5 1 14 LYS O 1 21 LEU H 2.000 . 2.500 2.071 1.683 2.424 . 0 0 "[ . 1 . 2]" 2
6 1 14 LYS O 1 21 LEU N 3.000 2.300 3.500 3.025 2.643 3.367 . 0 0 "[ . 1 . 2]" 2
7 1 16 ASN O 1 19 TYR H 2.000 . 2.500 2.428 2.264 2.512 0.012 5 0 "[ . 1 . 2]" 2
8 1 16 ASN O 1 19 TYR N 3.000 2.300 3.500 2.985 2.866 3.128 . 0 0 "[ . 1 . 2]" 2
9 1 16 ASN H 1 19 TYR O 2.000 . 2.500 2.203 1.933 2.450 . 0 0 "[ . 1 . 2]" 2
10 1 16 ASN N 1 19 TYR O 3.000 2.300 3.500 2.933 2.653 3.123 . 0 0 "[ . 1 . 2]" 2
11 1 14 LYS H 1 21 LEU O 2.000 . 2.500 2.407 2.023 2.508 0.008 2 0 "[ . 1 . 2]" 2
12 1 14 LYS N 1 21 LEU O 3.000 2.300 3.500 3.178 2.851 3.369 . 0 0 "[ . 1 . 2]" 2
13 1 22 TYR O 1 33 LYS H 2.000 . 2.500 2.215 1.889 2.510 0.010 20 0 "[ . 1 . 2]" 2
14 1 22 TYR O 1 33 LYS N 3.000 2.300 3.500 3.120 2.844 3.409 . 0 0 "[ . 1 . 2]" 2
15 1 24 VAL O 1 31 LEU H 2.000 . 2.500 1.889 1.701 2.177 . 0 0 "[ . 1 . 2]" 2
16 1 24 VAL O 1 31 LEU N 3.000 2.300 3.500 2.822 2.654 3.051 . 0 0 "[ . 1 . 2]" 2
17 1 9 LYS H 1 25 SER O 2.000 . 2.500 2.071 1.726 2.427 . 0 0 "[ . 1 . 2]" 2
18 1 9 LYS N 1 25 SER O 3.000 2.300 3.500 2.992 2.696 3.285 . 0 0 "[ . 1 . 2]" 2
19 1 26 THR O 1 29 LYS H 2.000 . 2.500 2.212 1.640 2.510 0.010 1 0 "[ . 1 . 2]" 2
20 1 26 THR O 1 29 LYS N 3.000 2.300 3.500 2.700 2.536 2.844 . 0 0 "[ . 1 . 2]" 2
21 1 26 THR H 1 29 LYS O 2.000 . 2.500 2.486 2.283 2.511 0.011 18 0 "[ . 1 . 2]" 2
22 1 26 THR N 1 29 LYS O 3.000 2.300 3.500 3.202 3.066 3.372 . 0 0 "[ . 1 . 2]" 2
23 1 24 VAL H 1 31 LEU O 2.000 . 2.500 1.816 1.672 2.086 . 0 0 "[ . 1 . 2]" 2
24 1 24 VAL N 1 31 LEU O 3.000 2.300 3.500 2.750 2.603 3.019 . 0 0 "[ . 1 . 2]" 2
25 1 22 TYR H 1 33 LYS O 2.000 . 2.500 2.021 1.703 2.286 . 0 0 "[ . 1 . 2]" 2
26 1 22 TYR N 1 33 LYS O 3.000 2.300 3.500 2.861 2.564 3.170 . 0 0 "[ . 1 . 2]" 2
27 1 34 ARG O 1 37 GLU H 2.000 . 2.500 2.250 1.919 2.503 0.003 3 0 "[ . 1 . 2]" 2
28 1 34 ARG O 1 37 GLU N 3.000 2.300 3.500 2.966 2.751 3.177 . 0 0 "[ . 1 . 2]" 2
29 1 34 ARG O 1 38 PHE H 2.000 . 2.500 2.453 2.098 2.525 0.025 1 0 "[ . 1 . 2]" 2
30 1 34 ARG O 1 38 PHE N 3.000 2.300 3.500 3.302 2.987 3.414 . 0 0 "[ . 1 . 2]" 2
31 1 35 TYR O 1 39 TRP H 2.000 . 2.500 2.443 2.174 2.536 0.036 17 0 "[ . 1 . 2]" 2
32 1 35 TYR O 1 39 TRP N 3.000 2.300 3.500 3.390 3.133 3.482 . 0 0 "[ . 1 . 2]" 2
33 1 36 SER O 1 40 LYS H 2.000 . 2.500 2.293 1.971 2.508 0.008 18 0 "[ . 1 . 2]" 2
34 1 36 SER O 1 40 LYS N 3.000 2.300 3.500 3.134 2.734 3.443 . 0 0 "[ . 1 . 2]" 2
35 1 37 GLU O 1 41 LEU H 2.000 . 2.500 2.377 2.102 2.518 0.018 3 0 "[ . 1 . 2]" 2
36 1 37 GLU O 1 41 LEU N 3.000 2.300 3.500 3.153 2.929 3.316 . 0 0 "[ . 1 . 2]" 2
37 1 38 PHE O 1 41 LEU H 2.000 . 2.500 2.267 1.988 2.512 0.012 1 0 "[ . 1 . 2]" 2
38 1 38 PHE O 1 41 LEU N 3.000 2.300 3.500 2.991 2.840 3.242 . 0 0 "[ . 1 . 2]" 2
39 1 38 PHE O 1 42 LYS H 2.000 . 2.500 2.222 2.082 2.507 0.007 15 0 "[ . 1 . 2]" 2
40 1 38 PHE O 1 42 LYS N 3.000 2.300 3.500 3.080 2.954 3.385 . 0 0 "[ . 1 . 2]" 2
41 1 41 LEU O 1 45 LEU H 2.000 . 2.500 2.111 1.996 2.497 . 0 0 "[ . 1 . 2]" 2
42 1 41 LEU O 1 45 LEU N 3.000 2.300 3.500 3.085 2.970 3.464 . 0 0 "[ . 1 . 2]" 2
43 1 42 LYS O 1 46 GLU H 2.000 . 2.500 2.423 2.224 2.508 0.008 16 0 "[ . 1 . 2]" 2
44 1 42 LYS O 1 46 GLU N 3.000 2.300 3.500 3.314 3.112 3.409 . 0 0 "[ . 1 . 2]" 2
45 1 43 THR O 1 47 ARG H 2.000 . 2.500 2.338 2.108 2.507 0.007 8 0 "[ . 1 . 2]" 2
46 1 43 THR O 1 47 ARG N 3.000 2.300 3.500 3.222 3.042 3.424 . 0 0 "[ . 1 . 2]" 2
47 1 44 ARG O 1 48 ASP H 2.000 . 2.500 1.716 1.620 1.822 . 0 0 "[ . 1 . 2]" 2
48 1 44 ARG O 1 48 ASP N 3.000 2.300 3.500 2.587 2.543 2.694 . 0 0 "[ . 1 . 2]" 2
49 1 45 LEU O 1 49 VAL H 2.000 . 2.500 1.755 1.648 2.093 . 0 0 "[ . 1 . 2]" 2
50 1 45 LEU O 1 49 VAL N 3.000 2.300 3.500 2.640 2.563 2.944 . 0 0 "[ . 1 . 2]" 2
51 1 46 GLU O 1 50 GLY H 2.000 . 2.500 2.230 1.903 2.409 . 0 0 "[ . 1 . 2]" 2
52 1 46 GLU O 1 50 GLY N 3.000 2.300 3.500 2.936 2.649 3.076 . 0 0 "[ . 1 . 2]" 2
53 1 53 ILE O 1 55 TYR H 2.000 . 2.500 2.396 1.959 2.517 0.017 10 0 "[ . 1 . 2]" 2
54 1 53 ILE O 1 55 TYR N 3.000 2.300 3.500 3.128 2.826 3.196 . 0 0 "[ . 1 . 2]" 2
55 1 71 ARG O 1 74 ASP H 2.000 . 2.500 2.180 1.869 2.504 0.004 13 0 "[ . 1 . 2]" 2
56 1 71 ARG O 1 74 ASP N 3.000 2.300 3.500 2.977 2.639 3.368 . 0 0 "[ . 1 . 2]" 2
57 1 74 ASP O 1 77 MET H 2.000 . 2.500 2.421 2.049 2.514 0.014 12 0 "[ . 1 . 2]" 2
58 1 74 ASP O 1 77 MET N 3.000 2.300 3.500 3.094 2.802 3.251 . 0 0 "[ . 1 . 2]" 2
59 1 74 ASP O 1 78 ILE H 2.000 . 2.500 1.922 1.813 2.192 . 0 0 "[ . 1 . 2]" 2
60 1 74 ASP O 1 78 ILE N 3.000 2.300 3.500 2.852 2.746 3.160 . 0 0 "[ . 1 . 2]" 2
61 1 75 PRO O 1 79 ASP H 2.000 . 2.500 1.836 1.647 2.321 . 0 0 "[ . 1 . 2]" 2
62 1 75 PRO O 1 79 ASP N 3.000 2.300 3.500 2.727 2.589 3.184 . 0 0 "[ . 1 . 2]" 2
63 1 77 MET O 1 81 ARG H 2.000 . 2.500 2.070 1.801 2.347 . 0 0 "[ . 1 . 2]" 2
64 1 77 MET O 1 81 ARG N 3.000 2.300 3.500 2.990 2.686 3.296 . 0 0 "[ . 1 . 2]" 2
65 1 78 ILE O 1 82 ARG H 2.000 . 2.500 2.246 2.092 2.466 . 0 0 "[ . 1 . 2]" 2
66 1 78 ILE O 1 82 ARG N 3.000 2.300 3.500 2.957 2.812 3.142 . 0 0 "[ . 1 . 2]" 2
67 1 84 GLY O 1 88 PHE H 2.000 . 2.500 2.392 1.901 2.506 0.006 16 0 "[ . 1 . 2]" 2
68 1 84 GLY O 1 88 PHE N 3.000 2.300 3.500 3.208 2.712 3.369 . 0 0 "[ . 1 . 2]" 2
69 1 85 LEU O 1 88 PHE H 2.000 . 2.500 2.348 2.117 2.503 0.003 1 0 "[ . 1 . 2]" 2
70 1 85 LEU O 1 88 PHE N 3.000 2.300 3.500 2.967 2.837 3.089 . 0 0 "[ . 1 . 2]" 2
71 1 85 LEU O 1 89 LEU H 2.000 . 2.500 2.465 2.338 2.516 0.016 12 0 "[ . 1 . 2]" 2
72 1 85 LEU O 1 89 LEU N 3.000 2.300 3.500 3.282 3.089 3.414 . 0 0 "[ . 1 . 2]" 2
73 1 86 GLU O 1 90 ASN H 2.000 . 2.500 2.050 1.770 2.301 . 0 0 "[ . 1 . 2]" 2
74 1 86 GLU O 1 90 ASN N 3.000 2.300 3.500 2.947 2.641 3.254 . 0 0 "[ . 1 . 2]" 2
75 1 87 ARG O 1 91 GLU H 2.000 . 2.500 2.388 2.229 2.525 0.025 12 0 "[ . 1 . 2]" 2
76 1 87 ARG O 1 91 GLU N 3.000 2.300 3.500 3.346 3.185 3.480 . 0 0 "[ . 1 . 2]" 2
77 1 89 LEU O 1 93 TYR H 2.000 . 2.500 1.687 1.609 1.929 . 0 0 "[ . 1 . 2]" 2
78 1 89 LEU O 1 93 TYR N 3.000 2.300 3.500 2.635 2.548 2.882 . 0 0 "[ . 1 . 2]" 2
79 1 89 LEU O 1 92 LEU H 2.000 . 2.500 2.316 1.924 2.509 0.009 3 0 "[ . 1 . 2]" 2
80 1 89 LEU O 1 92 LEU N 3.000 2.300 3.500 2.974 2.665 3.194 . 0 0 "[ . 1 . 2]" 2
81 1 90 ASN O 1 94 ASN H 2.000 . 2.500 2.110 1.775 2.502 0.002 14 0 "[ . 1 . 2]" 2
82 1 90 ASN O 1 94 ASN N 3.000 2.300 3.500 2.892 2.620 3.205 . 0 0 "[ . 1 . 2]" 2
83 1 93 TYR O 1 95 ASP H 2.000 . 2.500 2.270 2.064 2.501 0.001 18 0 "[ . 1 . 2]" 2
84 1 93 TYR O 1 95 ASP N 3.000 2.300 3.500 3.101 2.925 3.300 . 0 0 "[ . 1 . 2]" 2
85 1 99 SER O 1 103 ASP H 2.000 . 2.500 1.746 1.670 2.057 . 0 0 "[ . 1 . 2]" 2
86 1 99 SER O 1 103 ASP N 3.000 2.300 3.500 2.588 2.533 2.708 . 0 0 "[ . 1 . 2]" 2
87 1 100 ARG O 1 104 THR H 2.000 . 2.500 2.437 2.238 2.513 0.013 16 0 "[ . 1 . 2]" 2
88 1 100 ARG O 1 104 THR N 3.000 2.300 3.500 3.250 3.009 3.384 . 0 0 "[ . 1 . 2]" 2
89 1 104 THR O 1 108 GLN H 2.000 . 2.500 2.345 2.055 2.506 0.006 10 0 "[ . 1 . 2]" 2
90 1 104 THR O 1 108 GLN N 3.000 2.300 3.500 3.263 3.006 3.456 . 0 0 "[ . 1 . 2]" 2
91 1 105 LYS O 1 109 ASP H 2.000 . 2.500 2.178 1.937 2.506 0.006 15 0 "[ . 1 . 2]" 2
92 1 105 LYS O 1 109 ASP N 3.000 2.300 3.500 3.051 2.875 3.381 . 0 0 "[ . 1 . 2]" 2
93 1 106 ILE O 1 110 PHE H 2.000 . 2.500 2.303 2.058 2.505 0.005 15 0 "[ . 1 . 2]" 2
94 1 106 ILE O 1 110 PHE N 3.000 2.300 3.500 2.959 2.675 3.214 . 0 0 "[ . 1 . 2]" 2
95 1 107 ALA O 1 110 PHE H 2.000 . 2.500 2.485 2.350 2.509 0.009 13 0 "[ . 1 . 2]" 2
96 1 107 ALA O 1 110 PHE N 3.000 2.300 3.500 3.225 3.062 3.307 . 0 0 "[ . 1 . 2]" 2
97 1 109 ASP O 1 112 GLN H 2.000 . 2.500 2.124 1.933 2.322 . 0 0 "[ . 1 . 2]" 2
98 1 109 ASP O 1 112 GLN N 3.000 2.300 3.500 3.062 2.856 3.268 . 0 0 "[ . 1 . 2]" 2
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