NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
382302 |
1jfk   |
4271 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jfk
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 927
_Distance_constraint_stats_list.Viol_count 88
_Distance_constraint_stats_list.Viol_total 4.855
_Distance_constraint_stats_list.Viol_max 0.500
_Distance_constraint_stats_list.Viol_rms 0.0295
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0052
_Distance_constraint_stats_list.Viol_average_violations_only 0.0552
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 ALA 0.000 0.000 . 0 "[ ]"
1 5 LEU 0.000 0.000 . 0 "[ ]"
1 6 PHE 0.011 0.011 1 0 "[ ]"
1 7 LYS 0.000 0.000 . 0 "[ ]"
1 8 GLU 0.000 0.000 . 0 "[ ]"
1 9 ILE 0.000 0.000 . 0 "[ ]"
1 10 ASP 0.073 0.073 1 0 "[ ]"
1 11 VAL 0.000 0.000 . 0 "[ ]"
1 12 ASN 0.000 0.000 . 0 "[ ]"
1 13 GLY 0.000 0.000 . 0 "[ ]"
1 14 ASP 0.006 0.006 1 0 "[ ]"
1 15 GLY 0.073 0.073 1 0 "[ ]"
1 16 ALA 0.007 0.007 1 0 "[ ]"
1 17 VAL 0.000 0.000 . 0 "[ ]"
1 18 SER 0.096 0.039 1 0 "[ ]"
1 19 TYR 0.039 0.039 1 0 "[ ]"
1 20 GLU 0.020 0.020 1 0 "[ ]"
1 21 GLU 0.037 0.037 1 0 "[ ]"
1 22 VAL 0.000 0.000 . 0 "[ ]"
1 23 LYS 0.039 0.039 1 0 "[ ]"
1 24 ALA 0.000 0.000 . 0 "[ ]"
1 25 PHE 0.000 0.000 . 0 "[ ]"
1 26 VAL 0.000 0.000 . 0 "[ ]"
1 27 SER 0.000 0.000 . 0 "[ ]"
1 28 LYS 0.000 0.000 . 0 "[ ]"
1 29 LYS 0.000 0.000 . 0 "[ ]"
1 30 ARG 0.000 0.000 . 0 "[ ]"
1 31 ALA 0.035 0.019 1 0 "[ ]"
1 32 ILE 0.019 0.019 1 0 "[ ]"
1 33 LYS 0.017 0.017 1 0 "[ ]"
1 34 ASN 0.000 0.000 . 0 "[ ]"
1 35 GLU 0.014 0.014 1 0 "[ ]"
1 36 GLN 0.026 0.026 1 0 "[ ]"
1 37 LEU 0.074 0.052 1 0 "[ ]"
1 38 LEU 0.026 0.026 1 0 "[ ]"
1 39 GLN 0.064 0.035 1 0 "[ ]"
1 40 LEU 0.007 0.007 1 0 "[ ]"
1 41 ILE 0.074 0.052 1 0 "[ ]"
1 42 PHE 0.017 0.017 1 0 "[ ]"
1 43 LYS 0.049 0.035 1 0 "[ ]"
1 44 SER 0.126 0.119 1 0 "[ ]"
1 45 ILE 0.119 0.119 1 0 "[ ]"
1 46 ASP 0.387 0.387 1 0 "[ ]"
1 47 ALA 0.000 0.000 . 0 "[ ]"
1 48 ASP 0.103 0.103 1 0 "[ ]"
1 49 GLY 0.000 0.000 . 0 "[ ]"
1 50 ASN 0.144 0.139 1 0 "[ ]"
1 51 GLY 0.485 0.387 1 0 "[ ]"
1 52 GLU 0.055 0.039 1 0 "[ ]"
1 53 ILE 0.081 0.071 1 0 "[ ]"
1 54 ASP 0.012 0.007 1 0 "[ ]"
1 55 GLN 0.065 0.054 1 0 "[ ]"
1 56 ASN 0.000 0.000 . 0 "[ ]"
1 57 GLU 0.005 0.005 1 0 "[ ]"
1 58 PHE 0.000 0.000 . 0 "[ ]"
1 59 ALA 0.000 0.000 . 0 "[ ]"
1 60 LYS 0.000 0.000 . 0 "[ ]"
1 61 PHE 0.000 0.000 . 0 "[ ]"
1 62 TYR 0.000 0.000 . 0 "[ ]"
1 63 GLY 0.000 0.000 . 0 "[ ]"
1 64 SER 0.000 0.000 . 0 "[ ]"
1 65 ILE 0.000 0.000 . 0 "[ ]"
1 66 GLN 0.000 0.000 . 0 "[ ]"
1 67 GLY 0.000 0.000 . 0 "[ ]"
1 68 GLN 0.000 0.000 . 0 "[ ]"
1 69 ASP 0.000 0.000 . 0 "[ ]"
1 70 LEU 0.000 0.000 . 0 "[ ]"
1 71 SER 0.000 0.000 . 0 "[ ]"
1 72 ASP 0.063 0.063 1 0 "[ ]"
1 73 ASP 0.122 0.063 1 0 "[ ]"
1 74 LYS 0.186 0.125 1 0 "[ ]"
1 75 ILE 0.204 0.125 1 0 "[ ]"
1 76 GLY 0.075 0.075 1 0 "[ ]"
1 77 LEU 0.107 0.107 1 0 "[ ]"
1 78 LYS 0.156 0.107 1 0 "[ ]"
1 79 VAL 0.136 0.082 1 0 "[ ]"
1 80 LEU 0.210 0.128 1 0 "[ ]"
1 81 TYR 0.196 0.128 1 0 "[ ]"
1 82 LYS 0.126 0.068 1 0 "[ ]"
1 83 LEU 0.062 0.058 1 0 "[ ]"
1 84 MET 0.000 0.000 . 0 "[ ]"
1 85 ASP 0.585 0.407 1 0 "[ ]"
1 86 VAL 0.177 0.086 1 0 "[ ]"
1 87 ASP 0.000 0.000 . 0 "[ ]"
1 88 GLY 0.000 0.000 . 0 "[ ]"
1 89 ASP 0.001 0.001 1 0 "[ ]"
1 90 GLY 0.407 0.407 1 0 "[ ]"
1 91 LYS 0.002 0.001 1 0 "[ ]"
1 92 LEU 0.000 0.000 . 0 "[ ]"
1 93 THR 0.009 0.009 1 0 "[ ]"
1 94 LYS 0.044 0.044 1 0 "[ ]"
1 95 GLU 0.119 0.068 1 0 "[ ]"
1 96 GLU 0.179 0.100 1 0 "[ ]"
1 97 VAL 0.153 0.100 1 0 "[ ]"
1 98 THR 0.094 0.053 1 0 "[ ]"
1 99 SER 0.162 0.114 1 0 "[ ]"
1 100 PHE 0.249 0.127 1 0 "[ ]"
1 101 PHE 0.127 0.127 1 0 "[ ]"
1 102 LYS 0.024 0.024 1 0 "[ ]"
1 103 LYS 0.000 0.000 . 0 "[ ]"
1 104 HIS 0.000 0.000 . 0 "[ ]"
1 105 GLY 0.000 0.000 . 0 "[ ]"
1 106 ILE 0.051 0.051 1 0 "[ ]"
1 107 GLU 0.051 0.051 1 0 "[ ]"
1 108 LYS 0.000 0.000 . 0 "[ ]"
1 109 VAL 0.011 0.011 1 0 "[ ]"
1 110 ALA 0.072 0.072 1 0 "[ ]"
1 111 GLU 0.191 0.095 1 0 "[ ]"
1 112 GLN 0.167 0.095 1 0 "[ ]"
1 113 VAL 0.097 0.053 1 0 "[ ]"
1 114 MET 0.124 0.069 1 0 "[ ]"
1 115 LYS 0.143 0.069 1 0 "[ ]"
1 116 ALA 0.086 0.063 1 0 "[ ]"
1 117 ASP 0.516 0.500 1 1 [+]
1 118 ALA 0.000 0.000 . 0 "[ ]"
1 119 ASN 0.000 0.000 . 0 "[ ]"
1 120 GLY 0.000 0.000 . 0 "[ ]"
1 121 ASP 0.000 0.000 . 0 "[ ]"
1 122 GLY 0.500 0.500 1 1 [+]
1 123 TYR 0.009 0.009 1 0 "[ ]"
1 124 ILE 0.000 0.000 . 0 "[ ]"
1 125 THR 0.002 0.001 1 0 "[ ]"
1 126 LEU 0.015 0.009 1 0 "[ ]"
1 127 GLU 0.071 0.061 1 0 "[ ]"
1 128 GLU 0.121 0.061 1 0 "[ ]"
1 129 PHE 0.113 0.057 1 0 "[ ]"
1 130 LEU 0.064 0.057 1 0 "[ ]"
1 131 GLU 0.044 0.043 1 0 "[ ]"
1 132 PHE 0.113 0.066 1 0 "[ ]"
1 133 SER 0.138 0.066 1 0 "[ ]"
1 134 LEU 0.050 0.050 1 0 "[ ]"
2 1 CA 0.000 0.000 . 0 "[ ]"
3 1 CA 0.017 0.006 1 0 "[ ]"
4 1 CA 0.004 0.003 1 0 "[ ]"
5 1 CA 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 ALA HA 1 7 LYS QB . . 4.500 3.936 3.936 3.936 . 0 0 "[ ]" 1
2 1 4 ALA MB 1 5 LEU H . . 4.000 2.887 2.887 2.887 . 0 0 "[ ]" 1
3 1 4 ALA O 1 8 GLU H . . 2.000 1.924 1.924 1.924 . 0 0 "[ ]" 1
4 1 4 ALA O 1 8 GLU N . . 3.000 2.782 2.782 2.782 . 0 0 "[ ]" 1
5 1 5 LEU H 1 5 LEU MD1 . . 5.500 2.660 2.660 2.660 . 0 0 "[ ]" 1
6 1 5 LEU H 1 5 LEU MD2 . . 5.500 4.192 4.192 4.192 . 0 0 "[ ]" 1
7 1 5 LEU H 1 5 LEU HG . . 5.000 4.154 4.154 4.154 . 0 0 "[ ]" 1
8 1 5 LEU H 1 6 PHE H . . 3.500 2.534 2.534 2.534 . 0 0 "[ ]" 1
9 1 5 LEU HA 1 8 GLU H . . 4.500 3.308 3.308 3.308 . 0 0 "[ ]" 1
10 1 5 LEU HA 1 8 GLU QB . . 4.500 2.074 2.074 2.074 . 0 0 "[ ]" 1
11 1 5 LEU QB 1 6 PHE H . . 4.500 2.687 2.687 2.687 . 0 0 "[ ]" 1
12 1 5 LEU HG 1 6 PHE H . . 5.500 5.023 5.023 5.023 . 0 0 "[ ]" 1
13 1 5 LEU O 1 9 ILE H . . 2.000 1.800 1.800 1.800 . 0 0 "[ ]" 1
14 1 5 LEU O 1 9 ILE N . . 3.000 2.794 2.794 2.794 . 0 0 "[ ]" 1
15 1 6 PHE H 1 6 PHE HB2 . . 4.000 2.709 2.709 2.709 . 0 0 "[ ]" 1
16 1 6 PHE H 1 6 PHE HB3 . . 4.000 2.039 2.039 2.039 . 0 0 "[ ]" 1
17 1 6 PHE H 1 7 LYS H . . 3.500 2.810 2.810 2.810 . 0 0 "[ ]" 1
18 1 6 PHE HA 1 9 ILE HB . . 4.500 3.645 3.645 3.645 . 0 0 "[ ]" 1
19 1 6 PHE HA 1 25 PHE QB . . 6.000 5.260 5.260 5.260 . 0 0 "[ ]" 1
20 1 6 PHE QB 1 25 PHE QE . . 5.590 4.109 4.109 4.109 . 0 0 "[ ]" 1
21 1 6 PHE HB3 1 55 GLN HA . . 4.500 4.511 4.511 4.511 0.011 1 0 "[ ]" 1
22 1 6 PHE QE 1 17 VAL HA . . 5.500 4.231 4.231 4.231 . 0 0 "[ ]" 1
23 1 6 PHE QE 1 53 ILE MD . . 6.000 3.219 3.219 3.219 . 0 0 "[ ]" 1
24 1 7 LYS H 1 7 LYS QD . . 5.500 3.796 3.796 3.796 . 0 0 "[ ]" 1
25 1 7 LYS H 1 7 LYS QG . . 5.000 1.959 1.959 1.959 . 0 0 "[ ]" 1
26 1 7 LYS H 1 8 GLU H . . 2.650 2.515 2.515 2.515 . 0 0 "[ ]" 1
27 1 7 LYS HA 1 15 GLY H . . 5.000 4.747 4.747 4.747 . 0 0 "[ ]" 1
28 1 7 LYS QB 1 8 GLU H . . 4.080 3.536 3.536 3.536 . 0 0 "[ ]" 1
29 1 7 LYS QD 1 9 ILE H . . 6.380 4.938 4.938 4.938 . 0 0 "[ ]" 1
30 1 8 GLU H 1 8 GLU HB2 . . 4.000 2.693 2.693 2.693 . 0 0 "[ ]" 1
31 1 8 GLU H 1 8 GLU HB3 . . 4.000 2.272 2.272 2.272 . 0 0 "[ ]" 1
32 1 8 GLU H 1 8 GLU QG . . 5.000 3.870 3.870 3.870 . 0 0 "[ ]" 1
33 1 8 GLU H 1 9 ILE H . . 3.000 2.934 2.934 2.934 . 0 0 "[ ]" 1
34 1 8 GLU HB2 1 9 ILE H . . 4.000 3.893 3.893 3.893 . 0 0 "[ ]" 1
35 1 8 GLU QG 1 9 ILE H . . 6.380 2.827 2.827 2.827 . 0 0 "[ ]" 1
36 1 8 GLU QG 1 11 VAL H . . 6.380 5.739 5.739 5.739 . 0 0 "[ ]" 1
37 1 9 ILE H 1 9 ILE HB . . 4.000 2.035 2.035 2.035 . 0 0 "[ ]" 1
38 1 9 ILE H 1 10 ASP H . . 3.500 2.779 2.779 2.779 . 0 0 "[ ]" 1
39 1 9 ILE HA 1 10 ASP H . . 4.600 3.579 3.579 3.579 . 0 0 "[ ]" 1
40 1 9 ILE HB 1 10 ASP H . . 4.000 3.643 3.643 3.643 . 0 0 "[ ]" 1
41 1 9 ILE QG 1 10 ASP H . . 5.260 4.704 4.704 4.704 . 0 0 "[ ]" 1
42 1 9 ILE QG 1 11 VAL H . . 6.380 5.602 5.602 5.602 . 0 0 "[ ]" 1
43 1 9 ILE MG 1 10 ASP H . . 5.910 2.270 2.270 2.270 . 0 0 "[ ]" 1
44 1 9 ILE MG 1 11 VAL H . . 6.000 4.125 4.125 4.125 . 0 0 "[ ]" 1
45 1 10 ASP CG 1 15 GLY H . . 3.000 3.073 3.073 3.073 0.073 1 0 "[ ]" 1
46 1 10 ASP CG 2 1 CA CA . . 4.000 3.021 3.021 3.021 . 0 0 "[ ]" 1
47 1 10 ASP H 1 10 ASP HB2 . . 4.000 2.674 2.674 2.674 . 0 0 "[ ]" 1
48 1 10 ASP H 1 10 ASP HB3 . . 4.000 2.280 2.280 2.280 . 0 0 "[ ]" 1
49 1 10 ASP H 1 11 VAL H . . 4.500 3.907 3.907 3.907 . 0 0 "[ ]" 1
50 1 10 ASP HA 1 11 VAL H . . 4.000 2.487 2.487 2.487 . 0 0 "[ ]" 1
51 1 10 ASP HA 1 12 ASN H . . 4.200 3.445 3.445 3.445 . 0 0 "[ ]" 1
52 1 11 VAL H 1 11 VAL HB . . 4.000 2.357 2.357 2.357 . 0 0 "[ ]" 1
53 1 11 VAL H 1 11 VAL MG2 . . 4.000 2.054 2.054 2.054 . 0 0 "[ ]" 1
54 1 11 VAL H 1 12 ASN H . . 4.110 2.806 2.806 2.806 . 0 0 "[ ]" 1
55 1 11 VAL HA 1 12 ASN H . . 4.000 3.590 3.590 3.590 . 0 0 "[ ]" 1
56 1 11 VAL HB 1 12 ASN H . . 3.020 2.792 2.792 2.792 . 0 0 "[ ]" 1
57 1 11 VAL MG2 1 12 ASN H . . 5.500 4.016 4.016 4.016 . 0 0 "[ ]" 1
58 1 12 ASN H 1 12 ASN HB2 . . 4.110 2.781 2.781 2.781 . 0 0 "[ ]" 1
59 1 12 ASN H 1 12 ASN HB3 . . 4.110 3.526 3.526 3.526 . 0 0 "[ ]" 1
60 1 12 ASN H 1 13 GLY H . . 3.500 2.782 2.782 2.782 . 0 0 "[ ]" 1
61 1 12 ASN HA 1 13 GLY H . . 3.610 3.599 3.599 3.599 . 0 0 "[ ]" 1
62 1 12 ASN HB2 1 13 GLY H . . 5.130 2.666 2.666 2.666 . 0 0 "[ ]" 1
63 1 12 ASN HB3 1 13 GLY H . . 5.500 3.938 3.938 3.938 . 0 0 "[ ]" 1
64 1 12 ASN OD1 2 1 CA CA . . 2.800 2.799 2.799 2.799 . 0 0 "[ ]" 1
65 1 13 GLY H 1 14 ASP H . . 3.990 2.810 2.810 2.810 . 0 0 "[ ]" 1
66 1 13 GLY H 1 15 GLY H . . 4.660 4.448 4.448 4.448 . 0 0 "[ ]" 1
67 1 13 GLY QA 1 14 ASP H . . 3.870 2.576 2.576 2.576 . 0 0 "[ ]" 1
68 1 13 GLY QA 1 15 GLY H . . 5.110 3.872 3.872 3.872 . 0 0 "[ ]" 1
69 1 14 ASP CG 2 1 CA CA . . 4.000 3.688 3.688 3.688 . 0 0 "[ ]" 1
70 1 14 ASP H 1 14 ASP HB2 . . 3.610 3.616 3.616 3.616 0.006 1 0 "[ ]" 1
71 1 14 ASP H 1 14 ASP HB3 . . 3.930 3.229 3.229 3.229 . 0 0 "[ ]" 1
72 1 14 ASP H 1 15 GLY H . . 4.000 1.947 1.947 1.947 . 0 0 "[ ]" 1
73 1 14 ASP HA 1 15 GLY H . . 4.000 3.617 3.617 3.617 . 0 0 "[ ]" 1
74 1 14 ASP HB2 1 15 GLY H . . 5.500 3.495 3.495 3.495 . 0 0 "[ ]" 1
75 1 14 ASP HB3 1 15 GLY H . . 4.760 4.032 4.032 4.032 . 0 0 "[ ]" 1
76 1 15 GLY H 1 15 GLY HA2 . . 3.000 2.426 2.426 2.426 . 0 0 "[ ]" 1
77 1 15 GLY H 1 15 GLY HA3 . . 3.000 2.959 2.959 2.959 . 0 0 "[ ]" 1
78 1 15 GLY H 1 16 ALA H . . 4.000 1.943 1.943 1.943 . 0 0 "[ ]" 1
79 1 15 GLY H 1 16 ALA HA . . 5.500 4.629 4.629 4.629 . 0 0 "[ ]" 1
80 1 15 GLY H 1 16 ALA MB . . 6.220 3.885 3.885 3.885 . 0 0 "[ ]" 1
81 1 15 GLY HA2 1 16 ALA H . . 3.450 2.946 2.946 2.946 . 0 0 "[ ]" 1
82 1 15 GLY HA3 1 16 ALA H . . 4.000 3.603 3.603 3.603 . 0 0 "[ ]" 1
83 1 16 ALA CA 1 54 ASP HA . . 3.000 3.007 3.007 3.007 0.007 1 0 "[ ]" 1
84 1 16 ALA H 1 16 ALA HA . . 3.020 2.872 2.872 2.872 . 0 0 "[ ]" 1
85 1 16 ALA HA 1 17 VAL H . . 2.520 2.369 2.369 2.369 . 0 0 "[ ]" 1
86 1 16 ALA HA 1 54 ASP HA . . 2.100 2.076 2.076 2.076 . 0 0 "[ ]" 1
87 1 16 ALA MB 1 17 VAL H . . 4.330 2.758 2.758 2.758 . 0 0 "[ ]" 1
88 1 16 ALA MB 1 53 ILE H . . 6.000 4.479 4.479 4.479 . 0 0 "[ ]" 1
89 1 16 ALA MB 1 54 ASP HA . . 4.000 2.706 2.706 2.706 . 0 0 "[ ]" 1
90 1 16 ALA MB 1 54 ASP QB . . 5.000 3.082 3.082 3.082 . 0 0 "[ ]" 1
91 1 16 ALA O 2 1 CA CA . . 2.800 2.789 2.789 2.789 . 0 0 "[ ]" 1
92 1 17 VAL H 1 17 VAL HB . . 4.050 2.401 2.401 2.401 . 0 0 "[ ]" 1
93 1 17 VAL H 1 53 ILE H . . 3.790 3.492 3.492 3.492 . 0 0 "[ ]" 1
94 1 17 VAL H 1 53 ILE O . . 2.000 1.814 1.814 1.814 . 0 0 "[ ]" 1
95 1 17 VAL H 1 54 ASP HA . . 3.500 2.400 2.400 2.400 . 0 0 "[ ]" 1
96 1 17 VAL HA 1 18 SER H . . 2.750 2.473 2.473 2.473 . 0 0 "[ ]" 1
97 1 17 VAL HB 1 18 SER H . . 4.500 3.907 3.907 3.907 . 0 0 "[ ]" 1
98 1 17 VAL MG1 1 18 SER H . . 5.500 1.859 1.859 1.859 . 0 0 "[ ]" 1
99 1 17 VAL MG2 1 18 SER H . . 6.000 3.413 3.413 3.413 . 0 0 "[ ]" 1
100 1 17 VAL N 1 53 ILE O . . 3.000 2.688 2.688 2.688 . 0 0 "[ ]" 1
101 1 17 VAL O 1 53 ILE H . . 2.000 1.800 1.800 1.800 . 0 0 "[ ]" 1
102 1 17 VAL O 1 53 ILE N . . 3.000 2.685 2.685 2.685 . 0 0 "[ ]" 1
103 1 18 SER CA 1 52 GLU HA . . 3.000 3.039 3.039 3.039 0.039 1 0 "[ ]" 1
104 1 18 SER H 1 21 GLU H . . 5.500 3.215 3.215 3.215 . 0 0 "[ ]" 1
105 1 18 SER HA 1 19 TYR H . . 4.000 2.729 2.729 2.729 . 0 0 "[ ]" 1
106 1 18 SER HA 1 20 GLU H . . 4.580 4.600 4.600 4.600 0.020 1 0 "[ ]" 1
107 1 18 SER HA 1 21 GLU H . . 5.500 4.656 4.656 4.656 . 0 0 "[ ]" 1
108 1 18 SER HA 1 52 GLU HA . . 2.100 2.001 2.001 2.001 . 0 0 "[ ]" 1
109 1 18 SER HA 1 53 ILE H . . 4.000 2.629 2.629 2.629 . 0 0 "[ ]" 1
110 1 18 SER HB2 1 19 TYR H . . 4.000 2.230 2.230 2.230 . 0 0 "[ ]" 1
111 1 18 SER HB2 1 20 GLU H . . 5.500 3.340 3.340 3.340 . 0 0 "[ ]" 1
112 1 18 SER HB3 1 19 TYR H . . 4.000 3.715 3.715 3.715 . 0 0 "[ ]" 1
113 1 18 SER HB3 1 20 GLU H . . 5.500 4.399 4.399 4.399 . 0 0 "[ ]" 1
114 1 18 SER OG 1 21 GLU H . . 2.100 2.137 2.137 2.137 0.037 1 0 "[ ]" 1
115 1 19 TYR H 1 20 GLU H . . 3.240 2.601 2.601 2.601 . 0 0 "[ ]" 1
116 1 19 TYR HA 1 20 GLU H . . 4.500 3.595 3.595 3.595 . 0 0 "[ ]" 1
117 1 19 TYR HA 1 22 VAL H . . 3.920 3.670 3.670 3.670 . 0 0 "[ ]" 1
118 1 19 TYR HB2 1 20 GLU H . . 4.000 3.974 3.974 3.974 . 0 0 "[ ]" 1
119 1 19 TYR HB3 1 20 GLU H . . 3.950 2.613 2.613 2.613 . 0 0 "[ ]" 1
120 1 19 TYR O 1 23 LYS H . . 2.000 2.039 2.039 2.039 0.039 1 0 "[ ]" 1
121 1 19 TYR O 1 23 LYS N . . 3.000 2.946 2.946 2.946 . 0 0 "[ ]" 1
122 1 20 GLU H 1 20 GLU HA . . 2.960 2.828 2.828 2.828 . 0 0 "[ ]" 1
123 1 20 GLU H 1 20 GLU QG . . 4.500 3.797 3.797 3.797 . 0 0 "[ ]" 1
124 1 20 GLU H 1 21 GLU H . . 3.110 2.501 2.501 2.501 . 0 0 "[ ]" 1
125 1 20 GLU H 1 22 VAL H . . 5.500 4.047 4.047 4.047 . 0 0 "[ ]" 1
126 1 20 GLU HA 1 21 GLU H . . 4.110 3.602 3.602 3.602 . 0 0 "[ ]" 1
127 1 20 GLU HA 1 23 LYS H . . 3.760 3.325 3.325 3.325 . 0 0 "[ ]" 1
128 1 20 GLU HA 1 23 LYS QB . . 4.500 2.227 2.227 2.227 . 0 0 "[ ]" 1
129 1 20 GLU HA 1 24 ALA H . . 4.500 4.098 4.098 4.098 . 0 0 "[ ]" 1
130 1 20 GLU O 1 24 ALA H . . 2.000 1.986 1.986 1.986 . 0 0 "[ ]" 1
131 1 20 GLU O 1 24 ALA N . . 3.000 2.911 2.911 2.911 . 0 0 "[ ]" 1
132 1 21 GLU H 1 21 GLU QG . . 4.270 3.309 3.309 3.309 . 0 0 "[ ]" 1
133 1 21 GLU H 1 22 VAL H . . 3.020 2.700 2.700 2.700 . 0 0 "[ ]" 1
134 1 21 GLU HA 1 22 VAL H . . 4.070 3.610 3.610 3.610 . 0 0 "[ ]" 1
135 1 21 GLU HA 1 24 ALA MB . . 4.500 2.954 2.954 2.954 . 0 0 "[ ]" 1
136 1 21 GLU QG 1 22 VAL H . . 5.010 4.457 4.457 4.457 . 0 0 "[ ]" 1
137 1 21 GLU O 1 25 PHE H . . 2.000 1.957 1.957 1.957 . 0 0 "[ ]" 1
138 1 21 GLU O 1 25 PHE N . . 3.000 2.888 2.888 2.888 . 0 0 "[ ]" 1
139 1 21 GLU OE1 2 1 CA CA . . 2.800 2.738 2.738 2.738 . 0 0 "[ ]" 1
140 1 21 GLU OE2 2 1 CA CA . . 2.800 2.780 2.780 2.780 . 0 0 "[ ]" 1
141 1 22 VAL H 1 22 VAL HA . . 2.930 2.821 2.821 2.821 . 0 0 "[ ]" 1
142 1 22 VAL H 1 22 VAL HB . . 2.490 2.359 2.359 2.359 . 0 0 "[ ]" 1
143 1 22 VAL H 1 22 VAL MG1 . . 4.500 2.118 2.118 2.118 . 0 0 "[ ]" 1
144 1 22 VAL H 1 22 VAL MG2 . . 4.700 3.697 3.697 3.697 . 0 0 "[ ]" 1
145 1 22 VAL H 1 23 LYS H . . 2.860 2.582 2.582 2.582 . 0 0 "[ ]" 1
146 1 22 VAL HA 1 23 LYS H . . 4.000 3.602 3.602 3.602 . 0 0 "[ ]" 1
147 1 22 VAL HA 1 25 PHE QB . . 4.500 2.235 2.235 2.235 . 0 0 "[ ]" 1
148 1 22 VAL HA 1 38 LEU QD . . 5.500 3.767 3.767 3.767 . 0 0 "[ ]" 1
149 1 22 VAL HA 1 53 ILE MD . . 6.000 4.785 4.785 4.785 . 0 0 "[ ]" 1
150 1 22 VAL HB 1 23 LYS H . . 4.000 3.862 3.862 3.862 . 0 0 "[ ]" 1
151 1 22 VAL HB 1 38 LEU QD . . 5.000 3.569 3.569 3.569 . 0 0 "[ ]" 1
152 1 22 VAL QG 1 42 PHE HA . . 6.000 4.414 4.414 4.414 . 0 0 "[ ]" 1
153 1 22 VAL QG 1 61 PHE QE . . 4.000 2.644 2.644 2.644 . 0 0 "[ ]" 1
154 1 22 VAL MG1 1 23 LYS H . . 3.770 2.038 2.038 2.038 . 0 0 "[ ]" 1
155 1 22 VAL MG1 1 24 ALA H . . 6.000 4.263 4.263 4.263 . 0 0 "[ ]" 1
156 1 22 VAL MG2 1 23 LYS H . . 5.500 3.835 3.835 3.835 . 0 0 "[ ]" 1
157 1 22 VAL MG2 1 24 ALA H . . 6.500 5.187 5.187 5.187 . 0 0 "[ ]" 1
158 1 22 VAL O 1 26 VAL H . . 2.000 1.937 1.937 1.937 . 0 0 "[ ]" 1
159 1 22 VAL O 1 26 VAL N . . 3.000 2.911 2.911 2.911 . 0 0 "[ ]" 1
160 1 23 LYS H 1 23 LYS QB . . 3.490 2.127 2.127 2.127 . 0 0 "[ ]" 1
161 1 23 LYS H 1 23 LYS QD . . 5.000 4.571 4.571 4.571 . 0 0 "[ ]" 1
162 1 23 LYS H 1 23 LYS QE . . 5.500 3.879 3.879 3.879 . 0 0 "[ ]" 1
163 1 23 LYS H 1 23 LYS QG . . 4.080 2.745 2.745 2.745 . 0 0 "[ ]" 1
164 1 23 LYS HA 1 24 ALA H . . 4.000 3.605 3.605 3.605 . 0 0 "[ ]" 1
165 1 23 LYS HA 1 26 VAL HB . . 4.500 4.162 4.162 4.162 . 0 0 "[ ]" 1
166 1 23 LYS HA 1 27 SER H . . 4.500 3.907 3.907 3.907 . 0 0 "[ ]" 1
167 1 23 LYS HA 1 34 ASN QB . . 5.050 4.251 4.251 4.251 . 0 0 "[ ]" 1
168 1 23 LYS HA 1 38 LEU QB . . 4.970 3.674 3.674 3.674 . 0 0 "[ ]" 1
169 1 23 LYS O 1 27 SER H . . 2.000 1.905 1.905 1.905 . 0 0 "[ ]" 1
170 1 23 LYS O 1 27 SER N . . 3.000 2.822 2.822 2.822 . 0 0 "[ ]" 1
171 1 24 ALA H 1 25 PHE H . . 3.500 2.578 2.578 2.578 . 0 0 "[ ]" 1
172 1 24 ALA HA 1 25 PHE H . . 4.000 3.606 3.606 3.606 . 0 0 "[ ]" 1
173 1 24 ALA HA 1 27 SER QB . . 4.500 2.049 2.049 2.049 . 0 0 "[ ]" 1
174 1 24 ALA MB 1 25 PHE H . . 4.500 2.614 2.614 2.614 . 0 0 "[ ]" 1
175 1 25 PHE H 1 25 PHE HB2 . . 4.000 2.140 2.140 2.140 . 0 0 "[ ]" 1
176 1 25 PHE H 1 25 PHE HB3 . . 4.000 2.594 2.594 2.594 . 0 0 "[ ]" 1
177 1 25 PHE H 1 26 VAL H . . 3.050 3.016 3.016 3.016 . 0 0 "[ ]" 1
178 1 25 PHE HA 1 26 VAL H . . 4.380 3.644 3.644 3.644 . 0 0 "[ ]" 1
179 1 25 PHE HA 1 28 LYS H . . 5.000 3.695 3.695 3.695 . 0 0 "[ ]" 1
180 1 25 PHE HA 1 28 LYS QB . . 4.500 3.026 3.026 3.026 . 0 0 "[ ]" 1
181 1 25 PHE HB2 1 26 VAL H . . 3.480 3.474 3.474 3.474 . 0 0 "[ ]" 1
182 1 25 PHE HB3 1 26 VAL H . . 3.480 2.025 2.025 2.025 . 0 0 "[ ]" 1
183 1 26 VAL H 1 26 VAL HB . . 4.000 2.162 2.162 2.162 . 0 0 "[ ]" 1
184 1 26 VAL H 1 27 SER H . . 3.210 2.646 2.646 2.646 . 0 0 "[ ]" 1
185 1 26 VAL HA 1 27 SER H . . 5.340 3.600 3.600 3.600 . 0 0 "[ ]" 1
186 1 26 VAL HA 1 29 LYS QB . . 4.500 3.049 3.049 3.049 . 0 0 "[ ]" 1
187 1 26 VAL HB 1 27 SER H . . 4.000 3.710 3.710 3.710 . 0 0 "[ ]" 1
188 1 26 VAL MG1 1 27 SER H . . 5.410 1.957 1.957 1.957 . 0 0 "[ ]" 1
189 1 26 VAL MG2 1 27 SER H . . 5.500 4.035 4.035 4.035 . 0 0 "[ ]" 1
190 1 26 VAL MG2 1 30 ARG H . . 6.000 3.948 3.948 3.948 . 0 0 "[ ]" 1
191 1 27 SER H 1 27 SER HB2 . . 4.000 2.436 2.436 2.436 . 0 0 "[ ]" 1
192 1 27 SER H 1 27 SER HB3 . . 4.000 2.516 2.516 2.516 . 0 0 "[ ]" 1
193 1 27 SER H 1 28 LYS H . . 3.020 2.845 2.845 2.845 . 0 0 "[ ]" 1
194 1 27 SER HA 1 28 LYS H . . 3.950 3.604 3.604 3.604 . 0 0 "[ ]" 1
195 1 27 SER HA 1 29 LYS H . . 4.790 3.724 3.724 3.724 . 0 0 "[ ]" 1
196 1 27 SER HA 1 30 ARG H . . 4.000 3.661 3.661 3.661 . 0 0 "[ ]" 1
197 1 27 SER HB2 1 28 LYS H . . 5.500 3.955 3.955 3.955 . 0 0 "[ ]" 1
198 1 28 LYS H 1 28 LYS QB . . 3.620 1.992 1.992 1.992 . 0 0 "[ ]" 1
199 1 28 LYS H 1 28 LYS QD . . 5.000 3.913 3.913 3.913 . 0 0 "[ ]" 1
200 1 28 LYS H 1 28 LYS QG . . 4.500 3.302 3.302 3.302 . 0 0 "[ ]" 1
201 1 28 LYS H 1 29 LYS H . . 3.210 2.794 2.794 2.794 . 0 0 "[ ]" 1
202 1 28 LYS HA 1 29 LYS H . . 5.500 3.544 3.544 3.544 . 0 0 "[ ]" 1
203 1 28 LYS QB 1 29 LYS H . . 4.240 3.032 3.032 3.032 . 0 0 "[ ]" 1
204 1 29 LYS H 1 29 LYS HA . . 3.080 2.865 2.865 2.865 . 0 0 "[ ]" 1
205 1 29 LYS H 1 30 ARG H . . 3.120 2.952 2.952 2.952 . 0 0 "[ ]" 1
206 1 29 LYS HA 1 30 ARG H . . 3.920 3.616 3.616 3.616 . 0 0 "[ ]" 1
207 1 29 LYS QB 1 30 ARG H . . 4.180 1.923 1.923 1.923 . 0 0 "[ ]" 1
208 1 29 LYS QD 1 30 ARG H . . 6.500 4.641 4.641 4.641 . 0 0 "[ ]" 1
209 1 29 LYS QG 1 30 ARG H . . 5.500 3.728 3.728 3.728 . 0 0 "[ ]" 1
210 1 30 ARG H 1 30 ARG HB2 . . 4.000 2.807 2.807 2.807 . 0 0 "[ ]" 1
211 1 30 ARG H 1 30 ARG HB3 . . 4.000 3.839 3.839 3.839 . 0 0 "[ ]" 1
212 1 30 ARG H 1 30 ARG QD . . 5.000 4.401 4.401 4.401 . 0 0 "[ ]" 1
213 1 30 ARG H 1 30 ARG HG2 . . 3.890 3.723 3.723 3.723 . 0 0 "[ ]" 1
214 1 30 ARG H 1 30 ARG HG3 . . 4.850 2.858 2.858 2.858 . 0 0 "[ ]" 1
215 1 30 ARG H 1 31 ALA H . . 5.500 4.348 4.348 4.348 . 0 0 "[ ]" 1
216 1 30 ARG H 1 32 ILE H . . 5.000 4.871 4.871 4.871 . 0 0 "[ ]" 1
217 1 30 ARG HA 1 31 ALA H . . 4.000 2.809 2.809 2.809 . 0 0 "[ ]" 1
218 1 30 ARG HB2 1 31 ALA H . . 3.020 2.893 2.893 2.893 . 0 0 "[ ]" 1
219 1 30 ARG HB3 1 31 ALA H . . 2.710 2.015 2.015 2.015 . 0 0 "[ ]" 1
220 1 30 ARG HG2 1 31 ALA H . . 5.500 4.270 4.270 4.270 . 0 0 "[ ]" 1
221 1 31 ALA H 1 31 ALA HA . . 3.050 2.918 2.918 2.918 . 0 0 "[ ]" 1
222 1 31 ALA H 1 32 ILE H . . 5.550 2.826 2.826 2.826 . 0 0 "[ ]" 1
223 1 31 ALA H 1 33 LYS H . . 5.050 5.067 5.067 5.067 0.017 1 0 "[ ]" 1
224 1 31 ALA HA 1 32 ILE H . . 2.650 2.669 2.669 2.669 0.019 1 0 "[ ]" 1
225 1 32 ILE H 1 32 ILE MD . . 5.260 3.823 3.823 3.823 . 0 0 "[ ]" 1
226 1 32 ILE H 1 33 LYS H . . 5.500 3.360 3.360 3.360 . 0 0 "[ ]" 1
227 1 32 ILE H 1 34 ASN H . . 5.000 3.417 3.417 3.417 . 0 0 "[ ]" 1
228 1 32 ILE HA 1 33 LYS H . . 3.530 2.670 2.670 2.670 . 0 0 "[ ]" 1
229 1 32 ILE MG 1 33 LYS H . . 6.220 4.370 4.370 4.370 . 0 0 "[ ]" 1
230 1 33 LYS H 1 33 LYS QD . . 6.000 5.003 5.003 5.003 . 0 0 "[ ]" 1
231 1 33 LYS H 1 33 LYS QE . . 6.500 4.185 4.185 4.185 . 0 0 "[ ]" 1
232 1 33 LYS H 1 33 LYS HG2 . . 5.000 4.313 4.313 4.313 . 0 0 "[ ]" 1
233 1 33 LYS H 1 33 LYS HG3 . . 5.000 3.285 3.285 3.285 . 0 0 "[ ]" 1
234 1 33 LYS H 1 34 ASN H . . 4.040 2.537 2.537 2.537 . 0 0 "[ ]" 1
235 1 33 LYS QB 1 34 ASN H . . 5.110 3.960 3.960 3.960 . 0 0 "[ ]" 1
236 1 34 ASN H 1 34 ASN HB2 . . 4.000 3.540 3.540 3.540 . 0 0 "[ ]" 1
237 1 34 ASN H 1 34 ASN HB3 . . 2.800 2.391 2.391 2.391 . 0 0 "[ ]" 1
238 1 34 ASN HA 1 35 GLU H . . 4.000 3.557 3.557 3.557 . 0 0 "[ ]" 1
239 1 34 ASN HA 1 37 LEU H . . 4.000 3.745 3.745 3.745 . 0 0 "[ ]" 1
240 1 34 ASN O 1 38 LEU H . . 2.000 1.765 1.765 1.765 . 0 0 "[ ]" 1
241 1 34 ASN O 1 38 LEU N . . 3.000 2.687 2.687 2.687 . 0 0 "[ ]" 1
242 1 35 GLU H 1 35 GLU QG . . 5.000 1.935 1.935 1.935 . 0 0 "[ ]" 1
243 1 35 GLU H 1 36 GLN H . . 5.500 2.904 2.904 2.904 . 0 0 "[ ]" 1
244 1 35 GLU HA 1 36 GLN H . . 4.000 3.638 3.638 3.638 . 0 0 "[ ]" 1
245 1 35 GLU HB2 1 36 GLN H . . 4.110 3.464 3.464 3.464 . 0 0 "[ ]" 1
246 1 35 GLU O 1 39 GLN H . . 2.000 2.014 2.014 2.014 0.014 1 0 "[ ]" 1
247 1 35 GLU O 1 39 GLN N . . 3.000 2.980 2.980 2.980 . 0 0 "[ ]" 1
248 1 36 GLN H 1 36 GLN HB2 . . 3.580 2.315 2.315 2.315 . 0 0 "[ ]" 1
249 1 36 GLN H 1 36 GLN HB3 . . 2.770 2.689 2.689 2.689 . 0 0 "[ ]" 1
250 1 36 GLN H 1 36 GLN HG2 . . 4.560 4.520 4.520 4.520 . 0 0 "[ ]" 1
251 1 36 GLN H 1 36 GLN HG3 . . 4.580 4.277 4.277 4.277 . 0 0 "[ ]" 1
252 1 36 GLN H 1 37 LEU H . . 3.240 2.743 2.743 2.743 . 0 0 "[ ]" 1
253 1 36 GLN HA 1 39 GLN QB . . 4.500 2.415 2.415 2.415 . 0 0 "[ ]" 1
254 1 36 GLN HB2 1 37 LEU H . . 4.500 3.519 3.519 3.519 . 0 0 "[ ]" 1
255 1 36 GLN HB3 1 37 LEU H . . 4.000 2.209 2.209 2.209 . 0 0 "[ ]" 1
256 1 36 GLN HB3 1 38 LEU H . . 5.000 5.026 5.026 5.026 0.026 1 0 "[ ]" 1
257 1 36 GLN O 1 40 LEU H . . 2.000 1.977 1.977 1.977 . 0 0 "[ ]" 1
258 1 36 GLN O 1 40 LEU N . . 3.000 2.876 2.876 2.876 . 0 0 "[ ]" 1
259 1 37 LEU H 1 37 LEU HB2 . . 2.590 2.006 2.006 2.006 . 0 0 "[ ]" 1
260 1 37 LEU H 1 37 LEU HB3 . . 4.000 3.116 3.116 3.116 . 0 0 "[ ]" 1
261 1 37 LEU H 1 37 LEU HG . . 4.500 4.232 4.232 4.232 . 0 0 "[ ]" 1
262 1 37 LEU H 1 38 LEU H . . 3.550 3.086 3.086 3.086 . 0 0 "[ ]" 1
263 1 37 LEU HA 1 38 LEU H . . 3.910 3.635 3.635 3.635 . 0 0 "[ ]" 1
264 1 37 LEU HA 1 40 LEU QB . . 4.500 2.961 2.961 2.961 . 0 0 "[ ]" 1
265 1 37 LEU HB2 1 38 LEU H . . 4.500 3.297 3.297 3.297 . 0 0 "[ ]" 1
266 1 37 LEU HB3 1 38 LEU H . . 4.580 2.500 2.500 2.500 . 0 0 "[ ]" 1
267 1 37 LEU HG 1 38 LEU H . . 5.570 4.956 4.956 4.956 . 0 0 "[ ]" 1
268 1 37 LEU O 1 41 ILE H . . 2.000 2.052 2.052 2.052 0.052 1 0 "[ ]" 1
269 1 37 LEU O 1 41 ILE N . . 3.000 3.022 3.022 3.022 0.022 1 0 "[ ]" 1
270 1 38 LEU H 1 38 LEU HB2 . . 3.140 2.415 2.415 2.415 . 0 0 "[ ]" 1
271 1 38 LEU H 1 38 LEU HB3 . . 4.000 2.451 2.451 2.451 . 0 0 "[ ]" 1
272 1 38 LEU H 1 38 LEU MD1 . . 5.500 4.119 4.119 4.119 . 0 0 "[ ]" 1
273 1 38 LEU H 1 39 GLN H . . 3.210 2.889 2.889 2.889 . 0 0 "[ ]" 1
274 1 38 LEU HA 1 39 GLN H . . 4.000 3.636 3.636 3.636 . 0 0 "[ ]" 1
275 1 38 LEU HA 1 41 ILE H . . 4.000 3.178 3.178 3.178 . 0 0 "[ ]" 1
276 1 38 LEU HA 1 41 ILE HB . . 4.500 2.390 2.390 2.390 . 0 0 "[ ]" 1
277 1 38 LEU HB2 1 39 GLN H . . 4.040 3.807 3.807 3.807 . 0 0 "[ ]" 1
278 1 38 LEU HB3 1 39 GLN H . . 4.000 2.401 2.401 2.401 . 0 0 "[ ]" 1
279 1 38 LEU MD1 1 39 GLN H . . 6.000 4.652 4.652 4.652 . 0 0 "[ ]" 1
280 1 38 LEU MD2 1 39 GLN H . . 5.440 2.675 2.675 2.675 . 0 0 "[ ]" 1
281 1 38 LEU O 1 42 PHE H . . 2.000 1.716 1.716 1.716 . 0 0 "[ ]" 1
282 1 38 LEU O 1 42 PHE N . . 3.000 2.607 2.607 2.607 . 0 0 "[ ]" 1
283 1 39 GLN H 1 39 GLN HB2 . . 4.000 2.186 2.186 2.186 . 0 0 "[ ]" 1
284 1 39 GLN H 1 39 GLN HB3 . . 4.000 2.885 2.885 2.885 . 0 0 "[ ]" 1
285 1 39 GLN H 1 39 GLN QG . . 4.550 3.780 3.780 3.780 . 0 0 "[ ]" 1
286 1 39 GLN H 1 40 LEU H . . 3.240 3.001 3.001 3.001 . 0 0 "[ ]" 1
287 1 39 GLN HA 1 40 LEU H . . 3.860 3.602 3.602 3.602 . 0 0 "[ ]" 1
288 1 39 GLN HA 1 42 PHE H . . 4.000 3.955 3.955 3.955 . 0 0 "[ ]" 1
289 1 39 GLN HA 1 42 PHE QB . . 4.500 2.703 2.703 2.703 . 0 0 "[ ]" 1
290 1 39 GLN HB2 1 40 LEU H . . 4.000 3.757 3.757 3.757 . 0 0 "[ ]" 1
291 1 39 GLN HB3 1 40 LEU H . . 4.000 2.694 2.694 2.694 . 0 0 "[ ]" 1
292 1 39 GLN O 1 43 LYS H . . 2.000 2.035 2.035 2.035 0.035 1 0 "[ ]" 1
293 1 39 GLN O 1 43 LYS N . . 3.000 3.014 3.014 3.014 0.014 1 0 "[ ]" 1
294 1 40 LEU H 1 40 LEU HB2 . . 3.410 2.646 2.646 2.646 . 0 0 "[ ]" 1
295 1 40 LEU H 1 40 LEU HB3 . . 3.430 2.268 2.268 2.268 . 0 0 "[ ]" 1
296 1 40 LEU H 1 40 LEU MD1 . . 5.500 4.188 4.188 4.188 . 0 0 "[ ]" 1
297 1 40 LEU H 1 40 LEU MD2 . . 5.500 4.083 4.083 4.083 . 0 0 "[ ]" 1
298 1 40 LEU H 1 40 LEU HG . . 4.500 4.302 4.302 4.302 . 0 0 "[ ]" 1
299 1 40 LEU H 1 41 ILE H . . 3.330 2.730 2.730 2.730 . 0 0 "[ ]" 1
300 1 40 LEU HA 1 41 ILE H . . 4.000 3.636 3.636 3.636 . 0 0 "[ ]" 1
301 1 40 LEU HA 1 43 LYS QB . . 4.500 3.069 3.069 3.069 . 0 0 "[ ]" 1
302 1 40 LEU HB2 1 41 ILE H . . 4.000 3.899 3.899 3.899 . 0 0 "[ ]" 1
303 1 40 LEU HB3 1 41 ILE H . . 4.500 2.482 2.482 2.482 . 0 0 "[ ]" 1
304 1 40 LEU O 1 44 SER H . . 2.000 2.007 2.007 2.007 0.007 1 0 "[ ]" 1
305 1 40 LEU O 1 44 SER N . . 3.000 2.786 2.786 2.786 . 0 0 "[ ]" 1
306 1 41 ILE H 1 41 ILE HB . . 2.550 2.317 2.317 2.317 . 0 0 "[ ]" 1
307 1 41 ILE H 1 41 ILE MD . . 5.250 3.275 3.275 3.275 . 0 0 "[ ]" 1
308 1 41 ILE H 1 41 ILE QG . . 4.610 2.199 2.199 2.199 . 0 0 "[ ]" 1
309 1 41 ILE H 1 42 PHE H . . 3.360 2.984 2.984 2.984 . 0 0 "[ ]" 1
310 1 41 ILE HA 1 44 SER QB . . 4.500 2.229 2.229 2.229 . 0 0 "[ ]" 1
311 1 41 ILE HB 1 42 PHE H . . 4.000 2.415 2.415 2.415 . 0 0 "[ ]" 1
312 1 41 ILE MD 1 42 PHE H . . 5.260 4.280 4.280 4.280 . 0 0 "[ ]" 1
313 1 41 ILE MG 1 42 PHE H . . 4.360 2.811 2.811 2.811 . 0 0 "[ ]" 1
314 1 41 ILE O 1 45 ILE H . . 2.000 1.924 1.924 1.924 . 0 0 "[ ]" 1
315 1 41 ILE O 1 45 ILE N . . 3.000 2.816 2.816 2.816 . 0 0 "[ ]" 1
316 1 42 PHE H 1 42 PHE HB3 . . 2.680 2.697 2.697 2.697 0.017 1 0 "[ ]" 1
317 1 42 PHE H 1 43 LYS H . . 5.340 3.122 3.122 3.122 . 0 0 "[ ]" 1
318 1 42 PHE HA 1 45 ILE HB . . 4.500 4.084 4.084 4.084 . 0 0 "[ ]" 1
319 1 42 PHE HB2 1 43 LYS H . . 3.500 3.465 3.465 3.465 . 0 0 "[ ]" 1
320 1 42 PHE HB3 1 43 LYS H . . 3.210 2.049 2.049 2.049 . 0 0 "[ ]" 1
321 1 43 LYS H 1 43 LYS HB2 . . 4.000 2.063 2.063 2.063 . 0 0 "[ ]" 1
322 1 43 LYS H 1 43 LYS HB3 . . 4.000 2.973 2.973 2.973 . 0 0 "[ ]" 1
323 1 43 LYS H 1 44 SER H . . 3.050 2.712 2.712 2.712 . 0 0 "[ ]" 1
324 1 43 LYS HA 1 46 ASP H . . 4.820 3.435 3.435 3.435 . 0 0 "[ ]" 1
325 1 43 LYS HB3 1 44 SER H . . 5.500 3.151 3.151 3.151 . 0 0 "[ ]" 1
326 1 44 SER H 1 45 ILE H . . 3.000 2.730 2.730 2.730 . 0 0 "[ ]" 1
327 1 44 SER HA 1 45 ILE H . . 3.520 3.639 3.639 3.639 0.119 1 0 "[ ]" 1
328 1 44 SER QB 1 45 ILE H . . 6.380 2.356 2.356 2.356 . 0 0 "[ ]" 1
329 1 45 ILE H 1 45 ILE HA . . 3.140 2.835 2.835 2.835 . 0 0 "[ ]" 1
330 1 45 ILE H 1 45 ILE HB . . 4.000 2.342 2.342 2.342 . 0 0 "[ ]" 1
331 1 45 ILE H 1 46 ASP H . . 4.000 2.538 2.538 2.538 . 0 0 "[ ]" 1
332 1 45 ILE HA 1 46 ASP H . . 5.500 3.600 3.600 3.600 . 0 0 "[ ]" 1
333 1 45 ILE HB 1 46 ASP H . . 4.000 3.837 3.837 3.837 . 0 0 "[ ]" 1
334 1 45 ILE MG 1 46 ASP H . . 5.810 2.093 2.093 2.093 . 0 0 "[ ]" 1
335 1 46 ASP CG 1 51 GLY H . . 3.000 3.387 3.387 3.387 0.387 1 0 "[ ]" 1
336 1 46 ASP CG 3 1 CA CA . . 4.000 3.539 3.539 3.539 . 0 0 "[ ]" 1
337 1 46 ASP H 1 47 ALA H . . 5.500 4.390 4.390 4.390 . 0 0 "[ ]" 1
338 1 46 ASP HA 1 47 ALA H . . 2.550 2.266 2.266 2.266 . 0 0 "[ ]" 1
339 1 46 ASP HA 1 48 ASP H . . 4.140 3.821 3.821 3.821 . 0 0 "[ ]" 1
340 1 46 ASP QB 1 47 ALA H . . 5.500 3.946 3.946 3.946 . 0 0 "[ ]" 1
341 1 47 ALA H 1 47 ALA MB . . 3.430 2.203 2.203 2.203 . 0 0 "[ ]" 1
342 1 47 ALA H 1 48 ASP H . . 2.550 2.336 2.336 2.336 . 0 0 "[ ]" 1
343 1 47 ALA HA 1 48 ASP H . . 4.000 3.610 3.610 3.610 . 0 0 "[ ]" 1
344 1 47 ALA MB 1 48 ASP H . . 4.000 2.562 2.562 2.562 . 0 0 "[ ]" 1
345 1 48 ASP CG 3 1 CA CA . . 4.000 3.644 3.644 3.644 . 0 0 "[ ]" 1
346 1 48 ASP H 1 48 ASP HA . . 3.020 2.791 2.791 2.791 . 0 0 "[ ]" 1
347 1 48 ASP H 1 48 ASP HB2 . . 3.390 3.493 3.493 3.493 0.103 1 0 "[ ]" 1
348 1 48 ASP H 1 48 ASP HB3 . . 3.020 2.881 2.881 2.881 . 0 0 "[ ]" 1
349 1 48 ASP HA 1 49 GLY H . . 4.000 3.655 3.655 3.655 . 0 0 "[ ]" 1
350 1 49 GLY H 1 51 GLY H . . 4.570 3.828 3.828 3.828 . 0 0 "[ ]" 1
351 1 49 GLY QA 1 50 ASN H . . 3.900 2.808 2.808 2.808 . 0 0 "[ ]" 1
352 1 49 GLY QA 1 51 GLY H . . 5.040 2.869 2.869 2.869 . 0 0 "[ ]" 1
353 1 50 ASN H 1 50 ASN HA . . 3.080 2.814 2.814 2.814 . 0 0 "[ ]" 1
354 1 50 ASN H 1 50 ASN HB2 . . 3.390 3.529 3.529 3.529 0.139 1 0 "[ ]" 1
355 1 50 ASN H 1 50 ASN HB3 . . 2.900 2.806 2.806 2.806 . 0 0 "[ ]" 1
356 1 50 ASN H 1 51 GLY H . . 2.830 2.494 2.494 2.494 . 0 0 "[ ]" 1
357 1 50 ASN HB2 1 51 GLY H . . 5.500 4.108 4.108 4.108 . 0 0 "[ ]" 1
358 1 50 ASN HB3 1 51 GLY H . . 5.220 4.409 4.409 4.409 . 0 0 "[ ]" 1
359 1 50 ASN OD1 3 1 CA CA . . 2.800 2.806 2.806 2.806 0.006 1 0 "[ ]" 1
360 1 51 GLY H 1 51 GLY HA2 . . 2.860 2.288 2.288 2.288 . 0 0 "[ ]" 1
361 1 51 GLY H 1 51 GLY HA3 . . 2.800 2.898 2.898 2.898 0.098 1 0 "[ ]" 1
362 1 51 GLY H 1 52 GLU H . . 3.080 2.649 2.649 2.649 . 0 0 "[ ]" 1
363 1 51 GLY HA2 1 52 GLU H . . 4.000 3.436 3.436 3.436 . 0 0 "[ ]" 1
364 1 51 GLY HA3 1 52 GLU H . . 3.520 3.262 3.262 3.262 . 0 0 "[ ]" 1
365 1 52 GLU H 1 52 GLU HA . . 3.080 2.914 2.914 2.914 . 0 0 "[ ]" 1
366 1 52 GLU H 1 52 GLU HB2 . . 2.620 2.630 2.630 2.630 0.010 1 0 "[ ]" 1
367 1 52 GLU HA 1 53 ILE H . . 4.000 2.368 2.368 2.368 . 0 0 "[ ]" 1
368 1 52 GLU HB3 1 53 ILE H . . 5.000 2.782 2.782 2.782 . 0 0 "[ ]" 1
369 1 52 GLU O 3 1 CA CA . . 2.800 2.806 2.806 2.806 0.006 1 0 "[ ]" 1
370 1 53 ILE H 1 53 ILE HA . . 2.860 2.931 2.931 2.931 0.071 1 0 "[ ]" 1
371 1 53 ILE H 1 53 ILE HB . . 3.650 3.659 3.659 3.659 0.009 1 0 "[ ]" 1
372 1 53 ILE HA 1 54 ASP H . . 3.490 2.653 2.653 2.653 . 0 0 "[ ]" 1
373 1 53 ILE QG 1 54 ASP H . . 5.500 4.134 4.134 4.134 . 0 0 "[ ]" 1
374 1 53 ILE MG 1 54 ASP H . . 4.000 3.278 3.278 3.278 . 0 0 "[ ]" 1
375 1 54 ASP H 1 54 ASP HB2 . . 3.670 3.671 3.671 3.671 0.001 1 0 "[ ]" 1
376 1 54 ASP H 1 54 ASP HB3 . . 3.240 3.245 3.245 3.245 0.005 1 0 "[ ]" 1
377 1 54 ASP HA 1 55 GLN H . . 3.500 2.759 2.759 2.759 . 0 0 "[ ]" 1
378 1 54 ASP HB2 1 55 GLN H . . 4.000 1.947 1.947 1.947 . 0 0 "[ ]" 1
379 1 54 ASP HB3 1 55 GLN H . . 4.000 3.426 3.426 3.426 . 0 0 "[ ]" 1
380 1 54 ASP OD1 1 57 GLU H . . 2.100 1.692 1.692 1.692 . 0 0 "[ ]" 1
381 1 55 GLN H 1 55 GLN HB2 . . 3.490 3.544 3.544 3.544 0.054 1 0 "[ ]" 1
382 1 55 GLN H 1 55 GLN HB3 . . 3.860 2.431 2.431 2.431 . 0 0 "[ ]" 1
383 1 55 GLN H 1 55 GLN QG . . 3.710 2.156 2.156 2.156 . 0 0 "[ ]" 1
384 1 55 GLN H 1 56 ASN H . . 3.210 2.718 2.718 2.718 . 0 0 "[ ]" 1
385 1 55 GLN H 1 57 GLU H . . 5.500 4.656 4.656 4.656 . 0 0 "[ ]" 1
386 1 55 GLN HA 1 58 PHE QB . . 4.500 2.153 2.153 2.153 . 0 0 "[ ]" 1
387 1 55 GLN QB 1 58 PHE H . . 5.500 4.801 4.801 4.801 . 0 0 "[ ]" 1
388 1 55 GLN O 1 59 ALA H . . 2.000 1.808 1.808 1.808 . 0 0 "[ ]" 1
389 1 55 GLN O 1 59 ALA N . . 3.000 2.693 2.693 2.693 . 0 0 "[ ]" 1
390 1 56 ASN H 1 56 ASN HA . . 2.830 2.756 2.756 2.756 . 0 0 "[ ]" 1
391 1 56 ASN H 1 56 ASN HB2 . . 3.000 2.192 2.192 2.192 . 0 0 "[ ]" 1
392 1 56 ASN H 1 56 ASN HB3 . . 3.680 3.475 3.475 3.475 . 0 0 "[ ]" 1
393 1 56 ASN H 1 57 GLU H . . 3.010 2.836 2.836 2.836 . 0 0 "[ ]" 1
394 1 56 ASN HA 1 57 GLU H . . 4.000 3.655 3.655 3.655 . 0 0 "[ ]" 1
395 1 56 ASN HA 1 59 ALA MB . . 4.500 2.777 2.777 2.777 . 0 0 "[ ]" 1
396 1 56 ASN HB2 1 57 GLU H . . 4.000 2.370 2.370 2.370 . 0 0 "[ ]" 1
397 1 56 ASN HB3 1 57 GLU H . . 4.000 2.896 2.896 2.896 . 0 0 "[ ]" 1
398 1 56 ASN O 1 60 LYS H . . 2.000 1.997 1.997 1.997 . 0 0 "[ ]" 1
399 1 56 ASN O 1 60 LYS N . . 3.000 2.980 2.980 2.980 . 0 0 "[ ]" 1
400 1 57 GLU H 1 57 GLU HA . . 3.020 2.755 2.755 2.755 . 0 0 "[ ]" 1
401 1 57 GLU H 1 57 GLU QB . . 3.680 2.161 2.161 2.161 . 0 0 "[ ]" 1
402 1 57 GLU H 1 57 GLU QG . . 4.500 2.678 2.678 2.678 . 0 0 "[ ]" 1
403 1 57 GLU H 1 58 PHE H . . 3.450 2.675 2.675 2.675 . 0 0 "[ ]" 1
404 1 57 GLU HA 1 58 PHE H . . 4.000 3.546 3.546 3.546 . 0 0 "[ ]" 1
405 1 57 GLU HA 1 60 LYS QB . . 4.500 2.760 2.760 2.760 . 0 0 "[ ]" 1
406 1 57 GLU QB 1 58 PHE H . . 4.730 2.938 2.938 2.938 . 0 0 "[ ]" 1
407 1 57 GLU O 1 61 PHE H . . 2.000 1.940 1.940 1.940 . 0 0 "[ ]" 1
408 1 57 GLU O 1 61 PHE N . . 3.000 2.708 2.708 2.708 . 0 0 "[ ]" 1
409 1 57 GLU OE1 3 1 CA CA . . 2.800 2.768 2.768 2.768 . 0 0 "[ ]" 1
410 1 57 GLU OE2 3 1 CA CA . . 2.800 2.805 2.805 2.805 0.005 1 0 "[ ]" 1
411 1 58 PHE H 1 58 PHE HB3 . . 4.000 2.471 2.471 2.471 . 0 0 "[ ]" 1
412 1 58 PHE H 1 59 ALA H . . 3.270 2.574 2.574 2.574 . 0 0 "[ ]" 1
413 1 58 PHE HA 1 59 ALA H . . 4.000 3.603 3.603 3.603 . 0 0 "[ ]" 1
414 1 58 PHE HA 1 61 PHE QB . . 4.500 1.988 1.988 1.988 . 0 0 "[ ]" 1
415 1 58 PHE HB2 1 59 ALA H . . 4.000 3.725 3.725 3.725 . 0 0 "[ ]" 1
416 1 58 PHE O 1 62 TYR H . . 2.000 1.926 1.926 1.926 . 0 0 "[ ]" 1
417 1 58 PHE O 1 62 TYR N . . 3.000 2.777 2.777 2.777 . 0 0 "[ ]" 1
418 1 59 ALA H 1 59 ALA MB . . 3.430 2.107 2.107 2.107 . 0 0 "[ ]" 1
419 1 59 ALA H 1 60 LYS H . . 3.170 2.659 2.659 2.659 . 0 0 "[ ]" 1
420 1 59 ALA HA 1 62 TYR H . . 4.500 3.412 3.412 3.412 . 0 0 "[ ]" 1
421 1 59 ALA HA 1 62 TYR QB . . 4.500 2.670 2.670 2.670 . 0 0 "[ ]" 1
422 1 59 ALA MB 1 60 LYS H . . 5.500 2.541 2.541 2.541 . 0 0 "[ ]" 1
423 1 59 ALA MB 1 62 TYR H . . 6.000 4.552 4.552 4.552 . 0 0 "[ ]" 1
424 1 60 LYS H 1 60 LYS HA . . 2.900 2.833 2.833 2.833 . 0 0 "[ ]" 1
425 1 60 LYS H 1 60 LYS QD . . 5.500 4.458 4.458 4.458 . 0 0 "[ ]" 1
426 1 60 LYS H 1 60 LYS QG . . 5.000 2.927 2.927 2.927 . 0 0 "[ ]" 1
427 1 60 LYS H 1 61 PHE H . . 3.320 2.499 2.499 2.499 . 0 0 "[ ]" 1
428 1 60 LYS HA 1 61 PHE H . . 4.000 3.544 3.544 3.544 . 0 0 "[ ]" 1
429 1 60 LYS QB 1 61 PHE H . . 5.000 2.999 2.999 2.999 . 0 0 "[ ]" 1
430 1 61 PHE H 1 61 PHE HB2 . . 4.000 2.648 2.648 2.648 . 0 0 "[ ]" 1
431 1 61 PHE H 1 62 TYR H . . 3.500 2.559 2.559 2.559 . 0 0 "[ ]" 1
432 1 62 TYR H 1 62 TYR HB2 . . 4.000 1.947 1.947 1.947 . 0 0 "[ ]" 1
433 1 63 GLY H 1 64 SER H . . 3.500 3.007 3.007 3.007 . 0 0 "[ ]" 1
434 1 63 GLY HA2 1 64 SER H . . 4.000 3.616 3.616 3.616 . 0 0 "[ ]" 1
435 1 63 GLY HA3 1 65 ILE H . . 4.500 4.429 4.429 4.429 . 0 0 "[ ]" 1
436 1 64 SER H 1 64 SER HB2 . . 4.000 3.116 3.116 3.116 . 0 0 "[ ]" 1
437 1 64 SER H 1 64 SER HB3 . . 4.000 3.702 3.702 3.702 . 0 0 "[ ]" 1
438 1 64 SER HA 1 65 ILE H . . 4.000 3.646 3.646 3.646 . 0 0 "[ ]" 1
439 1 65 ILE H 1 65 ILE HB . . 4.000 2.706 2.706 2.706 . 0 0 "[ ]" 1
440 1 65 ILE H 1 66 GLN H . . 3.110 2.632 2.632 2.632 . 0 0 "[ ]" 1
441 1 65 ILE HA 1 66 GLN H . . 4.000 3.620 3.620 3.620 . 0 0 "[ ]" 1
442 1 66 GLN H 1 66 GLN QG . . 4.520 4.106 4.106 4.106 . 0 0 "[ ]" 1
443 1 66 GLN HA 1 67 GLY H . . 5.000 2.469 2.469 2.469 . 0 0 "[ ]" 1
444 1 68 GLN H 1 68 GLN HG2 . . 4.710 3.522 3.522 3.522 . 0 0 "[ ]" 1
445 1 68 GLN H 1 68 GLN HG3 . . 4.500 2.181 2.181 2.181 . 0 0 "[ ]" 1
446 1 68 GLN HA 1 69 ASP H . . 4.010 2.204 2.204 2.204 . 0 0 "[ ]" 1
447 1 68 GLN HG3 1 69 ASP H . . 5.500 4.806 4.806 4.806 . 0 0 "[ ]" 1
448 1 69 ASP H 1 69 ASP HB2 . . 3.730 2.159 2.159 2.159 . 0 0 "[ ]" 1
449 1 69 ASP H 1 69 ASP HB3 . . 4.200 2.976 2.976 2.976 . 0 0 "[ ]" 1
450 1 69 ASP HA 1 70 LEU H . . 4.000 3.655 3.655 3.655 . 0 0 "[ ]" 1
451 1 69 ASP HB3 1 70 LEU H . . 4.970 2.213 2.213 2.213 . 0 0 "[ ]" 1
452 1 70 LEU H 1 70 LEU HB2 . . 3.510 2.931 2.931 2.931 . 0 0 "[ ]" 1
453 1 70 LEU H 1 70 LEU HB3 . . 4.030 3.780 3.780 3.780 . 0 0 "[ ]" 1
454 1 70 LEU H 1 70 LEU HG . . 5.200 4.152 4.152 4.152 . 0 0 "[ ]" 1
455 1 71 SER H 1 72 ASP H . . 4.000 2.661 2.661 2.661 . 0 0 "[ ]" 1
456 1 71 SER HA 1 72 ASP H . . 4.000 3.579 3.579 3.579 . 0 0 "[ ]" 1
457 1 71 SER O 1 75 ILE H . . 2.000 1.897 1.897 1.897 . 0 0 "[ ]" 1
458 1 71 SER O 1 75 ILE N . . 3.000 2.860 2.860 2.860 . 0 0 "[ ]" 1
459 1 72 ASP H 1 72 ASP HB2 . . 4.000 2.290 2.290 2.290 . 0 0 "[ ]" 1
460 1 72 ASP H 1 72 ASP HB3 . . 4.000 2.632 2.632 2.632 . 0 0 "[ ]" 1
461 1 72 ASP H 1 73 ASP H . . 3.500 2.654 2.654 2.654 . 0 0 "[ ]" 1
462 1 72 ASP HA 1 73 ASP H . . 3.500 3.563 3.563 3.563 0.063 1 0 "[ ]" 1
463 1 72 ASP HA 1 75 ILE HB . . 4.500 3.828 3.828 3.828 . 0 0 "[ ]" 1
464 1 73 ASP H 1 74 LYS H . . 3.500 2.448 2.448 2.448 . 0 0 "[ ]" 1
465 1 73 ASP HA 1 74 LYS H . . 3.500 3.559 3.559 3.559 0.059 1 0 "[ ]" 1
466 1 74 LYS H 1 74 LYS HB2 . . 4.000 2.183 2.183 2.183 . 0 0 "[ ]" 1
467 1 74 LYS H 1 74 LYS HB3 . . 4.000 3.470 3.470 3.470 . 0 0 "[ ]" 1
468 1 74 LYS H 1 74 LYS QD . . 5.540 2.515 2.515 2.515 . 0 0 "[ ]" 1
469 1 74 LYS H 1 75 ILE H . . 3.110 2.637 2.637 2.637 . 0 0 "[ ]" 1
470 1 74 LYS HA 1 75 ILE H . . 3.510 3.635 3.635 3.635 0.125 1 0 "[ ]" 1
471 1 74 LYS HA 1 77 LEU QB . . 4.500 2.330 2.330 2.330 . 0 0 "[ ]" 1
472 1 74 LYS QB 1 78 LYS H . . 5.790 4.868 4.868 4.868 . 0 0 "[ ]" 1
473 1 74 LYS QB 1 130 LEU HG . . 5.000 4.148 4.148 4.148 . 0 0 "[ ]" 1
474 1 74 LYS O 1 78 LYS H . . 2.000 2.003 2.003 2.003 0.003 1 0 "[ ]" 1
475 1 74 LYS O 1 78 LYS N . . 3.000 2.959 2.959 2.959 . 0 0 "[ ]" 1
476 1 75 ILE H 1 75 ILE HB . . 4.000 2.255 2.255 2.255 . 0 0 "[ ]" 1
477 1 75 ILE H 1 76 GLY H . . 3.200 2.678 2.678 2.678 . 0 0 "[ ]" 1
478 1 75 ILE HA 1 76 GLY H . . 3.500 3.575 3.575 3.575 0.075 1 0 "[ ]" 1
479 1 75 ILE HA 1 78 LYS QB . . 4.500 3.910 3.910 3.910 . 0 0 "[ ]" 1
480 1 75 ILE HB 1 76 GLY H . . 4.010 3.903 3.903 3.903 . 0 0 "[ ]" 1
481 1 75 ILE O 1 79 VAL H . . 2.000 2.004 2.004 2.004 0.004 1 0 "[ ]" 1
482 1 75 ILE O 1 79 VAL N . . 3.000 2.914 2.914 2.914 . 0 0 "[ ]" 1
483 1 76 GLY H 1 77 LEU H . . 3.300 2.517 2.517 2.517 . 0 0 "[ ]" 1
484 1 76 GLY H 1 78 LYS H . . 5.500 4.258 4.258 4.258 . 0 0 "[ ]" 1
485 1 76 GLY QA 1 77 LEU H . . 3.500 2.864 2.864 2.864 . 0 0 "[ ]" 1
486 1 76 GLY QA 1 79 VAL HB . . 4.500 2.208 2.208 2.208 . 0 0 "[ ]" 1
487 1 76 GLY O 1 80 LEU H . . 2.000 1.875 1.875 1.875 . 0 0 "[ ]" 1
488 1 76 GLY O 1 80 LEU N . . 3.000 2.862 2.862 2.862 . 0 0 "[ ]" 1
489 1 77 LEU H 1 77 LEU HB2 . . 4.000 2.013 2.013 2.013 . 0 0 "[ ]" 1
490 1 77 LEU H 1 77 LEU HB3 . . 4.000 3.282 3.282 3.282 . 0 0 "[ ]" 1
491 1 77 LEU H 1 77 LEU MD1 . . 5.000 3.803 3.803 3.803 . 0 0 "[ ]" 1
492 1 77 LEU H 1 77 LEU MD2 . . 5.000 4.140 4.140 4.140 . 0 0 "[ ]" 1
493 1 77 LEU H 1 77 LEU HG . . 4.500 3.384 3.384 3.384 . 0 0 "[ ]" 1
494 1 77 LEU H 1 78 LYS H . . 3.110 2.622 2.622 2.622 . 0 0 "[ ]" 1
495 1 77 LEU HA 1 78 LYS H . . 3.510 3.617 3.617 3.617 0.107 1 0 "[ ]" 1
496 1 77 LEU HA 1 80 LEU H . . 4.000 3.581 3.581 3.581 . 0 0 "[ ]" 1
497 1 77 LEU HA 1 80 LEU QB . . 4.500 2.880 2.880 2.880 . 0 0 "[ ]" 1
498 1 77 LEU HA 1 81 TYR H . . 5.500 3.873 3.873 3.873 . 0 0 "[ ]" 1
499 1 77 LEU QB 1 78 LYS H . . 4.880 2.703 2.703 2.703 . 0 0 "[ ]" 1
500 1 77 LEU HG 1 78 LYS H . . 5.500 5.018 5.018 5.018 . 0 0 "[ ]" 1
501 1 77 LEU HG 1 101 PHE HZ . . 6.000 5.113 5.113 5.113 . 0 0 "[ ]" 1
502 1 77 LEU O 1 81 TYR H . . 2.000 1.888 1.888 1.888 . 0 0 "[ ]" 1
503 1 77 LEU O 1 81 TYR N . . 3.000 2.880 2.880 2.880 . 0 0 "[ ]" 1
504 1 78 LYS H 1 78 LYS QB . . 3.830 2.508 2.508 2.508 . 0 0 "[ ]" 1
505 1 78 LYS H 1 78 LYS QG . . 4.500 1.934 1.934 1.934 . 0 0 "[ ]" 1
506 1 78 LYS H 1 79 VAL H . . 3.140 2.571 2.571 2.571 . 0 0 "[ ]" 1
507 1 78 LYS HA 1 79 VAL H . . 3.540 3.586 3.586 3.586 0.046 1 0 "[ ]" 1
508 1 78 LYS HA 1 81 TYR H . . 4.000 3.575 3.575 3.575 . 0 0 "[ ]" 1
509 1 78 LYS HA 1 81 TYR QB . . 4.500 2.300 2.300 2.300 . 0 0 "[ ]" 1
510 1 78 LYS QB 1 79 VAL H . . 4.110 3.548 3.548 3.548 . 0 0 "[ ]" 1
511 1 78 LYS O 1 82 LYS H . . 2.000 1.933 1.933 1.933 . 0 0 "[ ]" 1
512 1 78 LYS O 1 82 LYS N . . 3.000 2.730 2.730 2.730 . 0 0 "[ ]" 1
513 1 79 VAL H 1 79 VAL HB . . 3.890 1.970 1.970 1.970 . 0 0 "[ ]" 1
514 1 79 VAL H 1 80 LEU H . . 3.050 2.787 2.787 2.787 . 0 0 "[ ]" 1
515 1 79 VAL HA 1 80 LEU H . . 3.550 3.632 3.632 3.632 0.082 1 0 "[ ]" 1
516 1 79 VAL HA 1 82 LYS H . . 4.000 3.490 3.490 3.490 . 0 0 "[ ]" 1
517 1 79 VAL HA 1 82 LYS QB . . 4.500 2.445 2.445 2.445 . 0 0 "[ ]" 1
518 1 79 VAL HA 1 83 LEU H . . 5.500 4.335 4.335 4.335 . 0 0 "[ ]" 1
519 1 79 VAL HB 1 80 LEU H . . 3.020 2.940 2.940 2.940 . 0 0 "[ ]" 1
520 1 79 VAL MG1 1 80 LEU H . . 3.860 2.196 2.196 2.196 . 0 0 "[ ]" 1
521 1 79 VAL MG1 1 82 LYS H . . 6.000 4.487 4.487 4.487 . 0 0 "[ ]" 1
522 1 79 VAL O 1 83 LEU H . . 2.000 2.004 2.004 2.004 0.004 1 0 "[ ]" 1
523 1 79 VAL O 1 83 LEU N . . 3.000 2.790 2.790 2.790 . 0 0 "[ ]" 1
524 1 80 LEU H 1 80 LEU HB2 . . 4.000 1.999 1.999 1.999 . 0 0 "[ ]" 1
525 1 80 LEU H 1 80 LEU HB3 . . 4.000 3.284 3.284 3.284 . 0 0 "[ ]" 1
526 1 80 LEU H 1 80 LEU HG . . 5.000 3.527 3.527 3.527 . 0 0 "[ ]" 1
527 1 80 LEU H 1 81 TYR H . . 3.510 2.869 2.869 2.869 . 0 0 "[ ]" 1
528 1 80 LEU HA 1 81 TYR H . . 3.510 3.638 3.638 3.638 0.128 1 0 "[ ]" 1
529 1 80 LEU HA 1 83 LEU QB . . 4.500 2.555 2.555 2.555 . 0 0 "[ ]" 1
530 1 80 LEU QB 1 81 TYR H . . 2.830 2.511 2.511 2.511 . 0 0 "[ ]" 1
531 1 80 LEU HB2 1 81 TYR H . . 3.300 2.911 2.911 2.911 . 0 0 "[ ]" 1
532 1 80 LEU HB3 1 81 TYR H . . 3.300 2.742 2.742 2.742 . 0 0 "[ ]" 1
533 1 80 LEU HG 1 83 LEU H . . 5.500 5.215 5.215 5.215 . 0 0 "[ ]" 1
534 1 80 LEU O 1 84 MET H . . 2.000 1.804 1.804 1.804 . 0 0 "[ ]" 1
535 1 80 LEU O 1 84 MET N . . 3.000 2.762 2.762 2.762 . 0 0 "[ ]" 1
536 1 81 TYR H 1 82 LYS H . . 2.990 2.810 2.810 2.810 . 0 0 "[ ]" 1
537 1 81 TYR HA 1 82 LYS H . . 3.500 3.568 3.568 3.568 0.068 1 0 "[ ]" 1
538 1 81 TYR HA 1 84 MET QB . . 4.500 2.612 2.612 2.612 . 0 0 "[ ]" 1
539 1 81 TYR QB 1 82 LYS H . . 3.580 2.778 2.778 2.778 . 0 0 "[ ]" 1
540 1 81 TYR QB 1 83 LEU H . . 5.380 4.680 4.680 4.680 . 0 0 "[ ]" 1
541 1 82 LYS H 1 82 LYS HA . . 3.000 2.854 2.854 2.854 . 0 0 "[ ]" 1
542 1 82 LYS H 1 82 LYS QB . . 3.800 2.123 2.123 2.123 . 0 0 "[ ]" 1
543 1 82 LYS H 1 82 LYS QD . . 6.000 3.571 3.571 3.571 . 0 0 "[ ]" 1
544 1 82 LYS H 1 82 LYS QG . . 5.000 4.024 4.024 4.024 . 0 0 "[ ]" 1
545 1 82 LYS H 1 83 LEU H . . 2.680 2.429 2.429 2.429 . 0 0 "[ ]" 1
546 1 82 LYS HA 1 83 LEU H . . 3.500 3.558 3.558 3.558 0.058 1 0 "[ ]" 1
547 1 82 LYS HA 1 85 ASP H . . 4.500 3.842 3.842 3.842 . 0 0 "[ ]" 1
548 1 82 LYS QB 1 83 LEU H . . 5.380 3.007 3.007 3.007 . 0 0 "[ ]" 1
549 1 82 LYS QD 1 84 MET H . . 5.250 4.718 4.718 4.718 . 0 0 "[ ]" 1
550 1 82 LYS QG 1 83 LEU H . . 6.310 4.143 4.143 4.143 . 0 0 "[ ]" 1
551 1 83 LEU H 1 83 LEU HG . . 5.050 4.382 4.382 4.382 . 0 0 "[ ]" 1
552 1 83 LEU H 1 84 MET H . . 3.400 2.598 2.598 2.598 . 0 0 "[ ]" 1
553 1 83 LEU HA 1 84 MET H . . 4.000 3.624 3.624 3.624 . 0 0 "[ ]" 1
554 1 83 LEU QB 1 84 MET H . . 5.380 2.490 2.490 2.490 . 0 0 "[ ]" 1
555 1 84 MET H 1 84 MET QG . . 5.000 2.640 2.640 2.640 . 0 0 "[ ]" 1
556 1 84 MET HA 1 85 ASP H . . 4.030 3.644 3.644 3.644 . 0 0 "[ ]" 1
557 1 84 MET QB 1 85 ASP H . . 4.530 2.316 2.316 2.316 . 0 0 "[ ]" 1
558 1 84 MET QG 1 85 ASP H . . 4.830 4.176 4.176 4.176 . 0 0 "[ ]" 1
559 1 85 ASP CG 1 90 GLY H . . 3.000 3.407 3.407 3.407 0.407 1 0 "[ ]" 1
560 1 85 ASP CG 4 1 CA CA . . 4.000 3.995 3.995 3.995 . 0 0 "[ ]" 1
561 1 85 ASP H 1 85 ASP QB . . 3.690 2.190 2.190 2.190 . 0 0 "[ ]" 1
562 1 85 ASP H 1 86 VAL H . . 4.200 4.245 4.245 4.245 0.045 1 0 "[ ]" 1
563 1 85 ASP HA 1 86 VAL H . . 4.000 2.324 2.324 2.324 . 0 0 "[ ]" 1
564 1 85 ASP HB2 1 86 VAL H . . 4.500 4.586 4.586 4.586 0.086 1 0 "[ ]" 1
565 1 85 ASP HB3 1 86 VAL H . . 4.500 4.546 4.546 4.546 0.046 1 0 "[ ]" 1
566 1 86 VAL H 1 86 VAL HB . . 4.000 2.753 2.753 2.753 . 0 0 "[ ]" 1
567 1 86 VAL H 1 87 ASP H . . 4.200 2.145 2.145 2.145 . 0 0 "[ ]" 1
568 1 86 VAL HA 1 87 ASP H . . 3.500 3.332 3.332 3.332 . 0 0 "[ ]" 1
569 1 86 VAL HB 1 87 ASP H . . 4.500 4.327 4.327 4.327 . 0 0 "[ ]" 1
570 1 86 VAL QG 1 87 ASP H . . 5.500 2.814 2.814 2.814 . 0 0 "[ ]" 1
571 1 87 ASP CG 4 1 CA CA . . 4.000 3.987 3.987 3.987 . 0 0 "[ ]" 1
572 1 87 ASP H 1 88 GLY H . . 4.000 2.385 2.385 2.385 . 0 0 "[ ]" 1
573 1 87 ASP HA 1 88 GLY H . . 4.000 3.558 3.558 3.558 . 0 0 "[ ]" 1
574 1 87 ASP QB 1 88 GLY H . . 4.500 3.535 3.535 3.535 . 0 0 "[ ]" 1
575 1 88 GLY H 1 89 ASP H . . 4.000 2.810 2.810 2.810 . 0 0 "[ ]" 1
576 1 88 GLY H 1 90 GLY H . . 4.500 4.499 4.499 4.499 . 0 0 "[ ]" 1
577 1 88 GLY QA 1 89 ASP H . . 4.000 2.488 2.488 2.488 . 0 0 "[ ]" 1
578 1 88 GLY QA 1 90 GLY H . . 5.000 3.744 3.744 3.744 . 0 0 "[ ]" 1
579 1 89 ASP CG 4 1 CA CA . . 4.000 4.001 4.001 4.001 0.001 1 0 "[ ]" 1
580 1 89 ASP H 1 89 ASP HB2 . . 4.170 2.378 2.378 2.378 . 0 0 "[ ]" 1
581 1 89 ASP H 1 89 ASP QB . . 3.750 2.346 2.346 2.346 . 0 0 "[ ]" 1
582 1 89 ASP H 1 89 ASP HB3 . . 4.170 3.582 3.582 3.582 . 0 0 "[ ]" 1
583 1 89 ASP H 1 90 GLY H . . 4.000 1.929 1.929 1.929 . 0 0 "[ ]" 1
584 1 89 ASP HA 1 90 GLY H . . 4.500 3.610 3.610 3.610 . 0 0 "[ ]" 1
585 1 89 ASP QB 1 90 GLY H . . 5.000 2.583 2.583 2.583 . 0 0 "[ ]" 1
586 1 90 GLY H 1 91 LYS H . . 4.500 2.722 2.722 2.722 . 0 0 "[ ]" 1
587 1 90 GLY QA 1 91 LYS H . . 4.000 2.959 2.959 2.959 . 0 0 "[ ]" 1
588 1 91 LYS CA 1 125 THR HA . . 3.000 3.001 3.001 3.001 0.001 1 0 "[ ]" 1
589 1 91 LYS H 1 91 LYS QD . . 5.380 2.707 2.707 2.707 . 0 0 "[ ]" 1
590 1 91 LYS HA 1 92 LEU H . . 2.730 2.452 2.452 2.452 . 0 0 "[ ]" 1
591 1 91 LYS HA 1 125 THR HA . . 2.100 2.101 2.101 2.101 0.001 1 0 "[ ]" 1
592 1 91 LYS QB 1 92 LEU H . . 4.500 2.565 2.565 2.565 . 0 0 "[ ]" 1
593 1 91 LYS QB 1 124 ILE H . . 6.500 3.986 3.986 3.986 . 0 0 "[ ]" 1
594 1 91 LYS QB 1 125 THR HA . . 4.000 2.579 2.579 2.579 . 0 0 "[ ]" 1
595 1 91 LYS QB 1 125 THR HB . . 4.500 3.573 3.573 3.573 . 0 0 "[ ]" 1
596 1 91 LYS O 4 1 CA CA . . 2.800 2.793 2.793 2.793 . 0 0 "[ ]" 1
597 1 92 LEU H 1 92 LEU HG . . 5.000 2.558 2.558 2.558 . 0 0 "[ ]" 1
598 1 92 LEU H 1 124 ILE H . . 3.510 3.232 3.232 3.232 . 0 0 "[ ]" 1
599 1 92 LEU H 1 125 THR HA . . 4.000 2.893 2.893 2.893 . 0 0 "[ ]" 1
600 1 92 LEU HA 1 93 THR H . . 2.500 2.464 2.464 2.464 . 0 0 "[ ]" 1
601 1 92 LEU QB 1 93 THR H . . 4.880 2.566 2.566 2.566 . 0 0 "[ ]" 1
602 1 92 LEU MD1 1 93 THR H . . 6.500 2.635 2.635 2.635 . 0 0 "[ ]" 1
603 1 92 LEU MD2 1 93 THR H . . 6.500 4.652 4.652 4.652 . 0 0 "[ ]" 1
604 1 92 LEU HG 1 93 THR H . . 5.500 4.122 4.122 4.122 . 0 0 "[ ]" 1
605 1 92 LEU N 1 124 ILE O . . 3.000 2.820 2.820 2.820 . 0 0 "[ ]" 1
606 1 92 LEU O 1 124 ILE H . . 2.000 1.789 1.789 1.789 . 0 0 "[ ]" 1
607 1 92 LEU O 1 124 ILE N . . 3.000 2.739 2.739 2.739 . 0 0 "[ ]" 1
608 1 93 THR CA 1 123 TYR HA . . 3.000 3.009 3.009 3.009 0.009 1 0 "[ ]" 1
609 1 93 THR HA 1 123 TYR HA . . 2.100 2.014 2.014 2.014 . 0 0 "[ ]" 1
610 1 93 THR HA 1 124 ILE H . . 4.500 2.892 2.892 2.892 . 0 0 "[ ]" 1
611 1 93 THR OG1 1 96 GLU H . . 2.100 2.080 2.080 2.080 . 0 0 "[ ]" 1
612 1 94 LYS H 1 95 GLU H . . 3.420 2.429 2.429 2.429 . 0 0 "[ ]" 1
613 1 94 LYS HA 1 95 GLU H . . 3.500 3.544 3.544 3.544 0.044 1 0 "[ ]" 1
614 1 94 LYS HA 1 96 GLU H . . 5.500 4.296 4.296 4.296 . 0 0 "[ ]" 1
615 1 94 LYS HA 1 97 VAL H . . 4.000 3.378 3.378 3.378 . 0 0 "[ ]" 1
616 1 94 LYS HA 1 97 VAL HB . . 4.500 3.153 3.153 3.153 . 0 0 "[ ]" 1
617 1 94 LYS QB 1 95 GLU H . . 4.000 3.661 3.661 3.661 . 0 0 "[ ]" 1
618 1 94 LYS QG 1 95 GLU H . . 4.760 2.242 2.242 2.242 . 0 0 "[ ]" 1
619 1 94 LYS O 1 98 THR H . . 2.000 1.989 1.989 1.989 . 0 0 "[ ]" 1
620 1 94 LYS O 1 98 THR N . . 3.000 2.931 2.931 2.931 . 0 0 "[ ]" 1
621 1 95 GLU H 1 95 GLU HG2 . . 5.500 4.638 4.638 4.638 . 0 0 "[ ]" 1
622 1 95 GLU H 1 95 GLU HG3 . . 5.500 4.378 4.378 4.378 . 0 0 "[ ]" 1
623 1 95 GLU H 1 96 GLU H . . 3.110 2.476 2.476 2.476 . 0 0 "[ ]" 1
624 1 95 GLU HA 1 96 GLU H . . 3.510 3.578 3.578 3.578 0.068 1 0 "[ ]" 1
625 1 95 GLU HA 1 98 THR H . . 4.000 3.568 3.568 3.568 . 0 0 "[ ]" 1
626 1 95 GLU HA 1 98 THR HB . . 4.500 3.692 3.692 3.692 . 0 0 "[ ]" 1
627 1 95 GLU QB 1 96 GLU H . . 4.120 2.755 2.755 2.755 . 0 0 "[ ]" 1
628 1 95 GLU O 1 99 SER H . . 2.000 2.007 2.007 2.007 0.007 1 0 "[ ]" 1
629 1 95 GLU O 1 99 SER N . . 3.000 2.766 2.766 2.766 . 0 0 "[ ]" 1
630 1 96 GLU H 1 96 GLU HA . . 2.900 2.826 2.826 2.826 . 0 0 "[ ]" 1
631 1 96 GLU H 1 96 GLU HB2 . . 4.000 2.576 2.576 2.576 . 0 0 "[ ]" 1
632 1 96 GLU H 1 96 GLU QB . . 3.650 2.225 2.225 2.225 . 0 0 "[ ]" 1
633 1 96 GLU H 1 96 GLU HB3 . . 4.000 2.433 2.433 2.433 . 0 0 "[ ]" 1
634 1 96 GLU H 1 96 GLU QG . . 4.500 3.939 3.939 3.939 . 0 0 "[ ]" 1
635 1 96 GLU H 1 97 VAL H . . 2.990 2.505 2.505 2.505 . 0 0 "[ ]" 1
636 1 96 GLU HA 1 97 VAL H . . 3.500 3.600 3.600 3.600 0.100 1 0 "[ ]" 1
637 1 96 GLU HA 1 99 SER QB . . 4.500 2.072 2.072 2.072 . 0 0 "[ ]" 1
638 1 96 GLU QB 1 97 VAL H . . 3.780 2.660 2.660 2.660 . 0 0 "[ ]" 1
639 1 96 GLU HB2 1 97 VAL H . . 4.000 3.963 3.963 3.963 . 0 0 "[ ]" 1
640 1 96 GLU HB3 1 97 VAL H . . 4.000 2.703 2.703 2.703 . 0 0 "[ ]" 1
641 1 96 GLU QG 1 97 VAL H . . 4.390 3.706 3.706 3.706 . 0 0 "[ ]" 1
642 1 96 GLU O 1 100 PHE H . . 2.000 2.008 2.008 2.008 0.008 1 0 "[ ]" 1
643 1 96 GLU O 1 100 PHE N . . 3.000 2.946 2.946 2.946 . 0 0 "[ ]" 1
644 1 96 GLU OE1 4 1 CA CA . . 2.800 2.704 2.704 2.704 . 0 0 "[ ]" 1
645 1 96 GLU OE2 4 1 CA CA . . 2.800 2.803 2.803 2.803 0.003 1 0 "[ ]" 1
646 1 97 VAL H 1 97 VAL HB . . 4.000 2.101 2.101 2.101 . 0 0 "[ ]" 1
647 1 97 VAL H 1 97 VAL MG1 . . 4.170 2.616 2.616 2.616 . 0 0 "[ ]" 1
648 1 97 VAL H 1 97 VAL QG . . 3.570 2.553 2.553 2.553 . 0 0 "[ ]" 1
649 1 97 VAL H 1 97 VAL MG2 . . 4.170 3.564 3.564 3.564 . 0 0 "[ ]" 1
650 1 97 VAL H 1 98 THR H . . 2.860 2.633 2.633 2.633 . 0 0 "[ ]" 1
651 1 97 VAL HA 1 98 THR H . . 3.560 3.613 3.613 3.613 0.053 1 0 "[ ]" 1
652 1 97 VAL HA 1 100 PHE H . . 4.040 3.571 3.571 3.571 . 0 0 "[ ]" 1
653 1 97 VAL HA 1 100 PHE QB . . 4.500 2.955 2.955 2.955 . 0 0 "[ ]" 1
654 1 97 VAL HB 1 98 THR H . . 4.000 3.558 3.558 3.558 . 0 0 "[ ]" 1
655 1 97 VAL HB 1 113 VAL QG . . 6.200 3.534 3.534 3.534 . 0 0 "[ ]" 1
656 1 97 VAL QG 1 109 VAL QG . . 5.500 2.586 2.586 2.586 . 0 0 "[ ]" 1
657 1 97 VAL MG1 1 98 THR H . . 5.160 1.958 1.958 1.958 . 0 0 "[ ]" 1
658 1 97 VAL MG1 1 101 PHE H . . 6.000 4.468 4.468 4.468 . 0 0 "[ ]" 1
659 1 97 VAL MG2 1 98 THR H . . 5.160 4.055 4.055 4.055 . 0 0 "[ ]" 1
660 1 97 VAL MG2 1 101 PHE H . . 6.000 4.247 4.247 4.247 . 0 0 "[ ]" 1
661 1 97 VAL O 1 101 PHE H . . 2.000 1.846 1.846 1.846 . 0 0 "[ ]" 1
662 1 97 VAL O 1 101 PHE N . . 3.000 2.830 2.830 2.830 . 0 0 "[ ]" 1
663 1 98 THR H 1 98 THR HB . . 3.020 2.230 2.230 2.230 . 0 0 "[ ]" 1
664 1 98 THR H 1 98 THR MG . . 4.360 2.482 2.482 2.482 . 0 0 "[ ]" 1
665 1 98 THR H 1 99 SER H . . 3.500 2.507 2.507 2.507 . 0 0 "[ ]" 1
666 1 98 THR HA 1 99 SER H . . 3.500 3.541 3.541 3.541 0.041 1 0 "[ ]" 1
667 1 98 THR HA 1 100 PHE H . . 5.500 4.373 4.373 4.373 . 0 0 "[ ]" 1
668 1 98 THR HA 1 101 PHE QB . . 4.500 2.242 2.242 2.242 . 0 0 "[ ]" 1
669 1 98 THR MG 1 99 SER H . . 4.760 2.377 2.377 2.377 . 0 0 "[ ]" 1
670 1 98 THR O 1 102 LYS H . . 2.000 1.801 1.801 1.801 . 0 0 "[ ]" 1
671 1 98 THR O 1 102 LYS N . . 3.000 2.704 2.704 2.704 . 0 0 "[ ]" 1
672 1 99 SER H 1 99 SER QB . . 3.680 2.053 2.053 2.053 . 0 0 "[ ]" 1
673 1 99 SER H 1 100 PHE H . . 2.900 2.642 2.642 2.642 . 0 0 "[ ]" 1
674 1 99 SER H 1 101 PHE H . . 4.230 4.128 4.128 4.128 . 0 0 "[ ]" 1
675 1 99 SER HA 1 100 PHE H . . 3.500 3.614 3.614 3.614 0.114 1 0 "[ ]" 1
676 1 99 SER HA 1 102 LYS QB . . 4.500 2.803 2.803 2.803 . 0 0 "[ ]" 1
677 1 99 SER QB 1 100 PHE H . . 4.330 2.831 2.831 2.831 . 0 0 "[ ]" 1
678 1 100 PHE H 1 100 PHE HB2 . . 4.000 2.771 2.771 2.771 . 0 0 "[ ]" 1
679 1 100 PHE H 1 100 PHE QB . . 3.650 1.981 1.981 1.981 . 0 0 "[ ]" 1
680 1 100 PHE H 1 100 PHE HB3 . . 4.000 2.029 2.029 2.029 . 0 0 "[ ]" 1
681 1 100 PHE H 1 101 PHE H . . 3.100 2.566 2.566 2.566 . 0 0 "[ ]" 1
682 1 100 PHE H 1 102 LYS H . . 4.320 3.950 3.950 3.950 . 0 0 "[ ]" 1
683 1 100 PHE HA 1 101 PHE H . . 3.500 3.627 3.627 3.627 0.127 1 0 "[ ]" 1
684 1 100 PHE QB 1 101 PHE H . . 3.650 2.508 2.508 2.508 . 0 0 "[ ]" 1
685 1 100 PHE HB2 1 101 PHE H . . 4.000 3.932 3.932 3.932 . 0 0 "[ ]" 1
686 1 100 PHE HB3 1 101 PHE H . . 4.000 2.538 2.538 2.538 . 0 0 "[ ]" 1
687 1 101 PHE H 1 101 PHE HA . . 2.800 2.777 2.777 2.777 . 0 0 "[ ]" 1
688 1 101 PHE H 1 101 PHE HB2 . . 4.000 2.032 2.032 2.032 . 0 0 "[ ]" 1
689 1 101 PHE H 1 101 PHE QB . . 3.350 2.016 2.016 2.016 . 0 0 "[ ]" 1
690 1 101 PHE H 1 101 PHE HB3 . . 4.000 3.369 3.369 3.369 . 0 0 "[ ]" 1
691 1 101 PHE H 1 102 LYS H . . 3.000 2.719 2.719 2.719 . 0 0 "[ ]" 1
692 1 101 PHE HA 1 102 LYS H . . 4.000 3.603 3.603 3.603 . 0 0 "[ ]" 1
693 1 101 PHE HA 1 104 HIS QB . . 6.000 3.191 3.191 3.191 . 0 0 "[ ]" 1
694 1 101 PHE QB 1 104 HIS QB . . 6.000 4.002 4.002 4.002 . 0 0 "[ ]" 1
695 1 101 PHE HZ 1 129 PHE HZ . . 6.000 5.046 5.046 5.046 . 0 0 "[ ]" 1
696 1 102 LYS H 1 102 LYS HA . . 2.680 2.704 2.704 2.704 0.024 1 0 "[ ]" 1
697 1 102 LYS H 1 102 LYS QB . . 3.770 2.188 2.188 2.188 . 0 0 "[ ]" 1
698 1 102 LYS H 1 102 LYS QG . . 4.500 3.984 3.984 3.984 . 0 0 "[ ]" 1
699 1 102 LYS H 1 103 LYS H . . 2.860 2.850 2.850 2.850 . 0 0 "[ ]" 1
700 1 102 LYS H 1 104 HIS H . . 4.500 4.367 4.367 4.367 . 0 0 "[ ]" 1
701 1 102 LYS HA 1 104 HIS H . . 4.000 3.982 3.982 3.982 . 0 0 "[ ]" 1
702 1 102 LYS QB 1 103 LYS H . . 3.930 2.937 2.937 2.937 . 0 0 "[ ]" 1
703 1 102 LYS QB 1 104 HIS H . . 6.380 4.883 4.883 4.883 . 0 0 "[ ]" 1
704 1 103 LYS H 1 103 LYS HB2 . . 4.000 2.301 2.301 2.301 . 0 0 "[ ]" 1
705 1 103 LYS H 1 103 LYS QB . . 3.650 2.163 2.163 2.163 . 0 0 "[ ]" 1
706 1 103 LYS H 1 103 LYS HB3 . . 4.000 2.630 2.630 2.630 . 0 0 "[ ]" 1
707 1 103 LYS H 1 104 HIS H . . 3.090 2.787 2.787 2.787 . 0 0 "[ ]" 1
708 1 103 LYS HA 1 105 GLY H . . 5.000 4.866 4.866 4.866 . 0 0 "[ ]" 1
709 1 103 LYS QB 1 104 HIS H . . 3.720 2.748 2.748 2.748 . 0 0 "[ ]" 1
710 1 103 LYS HB2 1 104 HIS H . . 4.000 3.930 3.930 3.930 . 0 0 "[ ]" 1
711 1 103 LYS HB3 1 104 HIS H . . 4.000 2.806 2.806 2.806 . 0 0 "[ ]" 1
712 1 103 LYS QG 1 104 HIS H . . 5.790 4.420 4.420 4.420 . 0 0 "[ ]" 1
713 1 104 HIS H 1 105 GLY H . . 3.550 2.652 2.652 2.652 . 0 0 "[ ]" 1
714 1 104 HIS H 1 106 ILE H . . 5.310 4.046 4.046 4.046 . 0 0 "[ ]" 1
715 1 104 HIS HA 1 106 ILE H . . 4.720 4.687 4.687 4.687 . 0 0 "[ ]" 1
716 1 104 HIS QB 1 105 GLY H . . 4.870 2.564 2.564 2.564 . 0 0 "[ ]" 1
717 1 104 HIS QB 1 106 ILE H . . 3.350 2.482 2.482 2.482 . 0 0 "[ ]" 1
718 1 104 HIS HB2 1 105 GLY H . . 5.500 3.051 3.051 3.051 . 0 0 "[ ]" 1
719 1 104 HIS HB2 1 106 ILE H . . 4.820 3.465 3.465 3.465 . 0 0 "[ ]" 1
720 1 104 HIS HB3 1 105 GLY H . . 5.500 2.757 2.757 2.757 . 0 0 "[ ]" 1
721 1 104 HIS HB3 1 106 ILE H . . 4.820 2.543 2.543 2.543 . 0 0 "[ ]" 1
722 1 105 GLY H 1 106 ILE H . . 2.930 1.908 1.908 1.908 . 0 0 "[ ]" 1
723 1 105 GLY QA 1 107 GLU QB . . 6.500 4.719 4.719 4.719 . 0 0 "[ ]" 1
724 1 106 ILE H 1 106 ILE HB . . 4.010 2.169 2.169 2.169 . 0 0 "[ ]" 1
725 1 106 ILE H 1 106 ILE QG . . 4.950 3.404 3.404 3.404 . 0 0 "[ ]" 1
726 1 106 ILE H 1 106 ILE MG . . 4.570 3.480 3.480 3.480 . 0 0 "[ ]" 1
727 1 106 ILE H 1 107 GLU H . . 4.000 4.051 4.051 4.051 0.051 1 0 "[ ]" 1
728 1 106 ILE HA 1 107 GLU H . . 3.500 2.291 2.291 2.291 . 0 0 "[ ]" 1
729 1 106 ILE HA 1 108 LYS H . . 5.500 3.309 3.309 3.309 . 0 0 "[ ]" 1
730 1 106 ILE HB 1 109 VAL H . . 6.000 4.710 4.710 4.710 . 0 0 "[ ]" 1
731 1 106 ILE QG 1 108 LYS H . . 4.760 4.341 4.341 4.341 . 0 0 "[ ]" 1
732 1 107 GLU H 1 107 GLU QG . . 3.930 2.094 2.094 2.094 . 0 0 "[ ]" 1
733 1 107 GLU H 1 108 LYS H . . 3.500 2.468 2.468 2.468 . 0 0 "[ ]" 1
734 1 107 GLU H 1 109 VAL H . . 5.380 4.212 4.212 4.212 . 0 0 "[ ]" 1
735 1 107 GLU HA 1 108 LYS H . . 3.700 3.532 3.532 3.532 . 0 0 "[ ]" 1
736 1 107 GLU HA 1 110 ALA H . . 5.100 3.276 3.276 3.276 . 0 0 "[ ]" 1
737 1 108 LYS H 1 108 LYS QG . . 5.000 2.243 2.243 2.243 . 0 0 "[ ]" 1
738 1 108 LYS H 1 109 VAL H . . 3.730 2.826 2.826 2.826 . 0 0 "[ ]" 1
739 1 108 LYS HA 1 109 VAL H . . 3.590 3.538 3.538 3.538 . 0 0 "[ ]" 1
740 1 108 LYS HA 1 110 ALA H . . 4.450 3.918 3.918 3.918 . 0 0 "[ ]" 1
741 1 108 LYS HA 1 111 GLU H . . 4.480 2.957 2.957 2.957 . 0 0 "[ ]" 1
742 1 108 LYS HA 1 111 GLU QB . . 4.500 2.551 2.551 2.551 . 0 0 "[ ]" 1
743 1 108 LYS QB 1 109 VAL H . . 4.890 3.671 3.671 3.671 . 0 0 "[ ]" 1
744 1 108 LYS QG 1 109 VAL H . . 4.140 2.209 2.209 2.209 . 0 0 "[ ]" 1
745 1 108 LYS O 1 112 GLN H . . 2.000 1.817 1.817 1.817 . 0 0 "[ ]" 1
746 1 108 LYS O 1 112 GLN N . . 3.000 2.776 2.776 2.776 . 0 0 "[ ]" 1
747 1 109 VAL H 1 109 VAL HB . . 4.000 2.087 2.087 2.087 . 0 0 "[ ]" 1
748 1 109 VAL H 1 109 VAL MG1 . . 4.790 2.619 2.619 2.619 . 0 0 "[ ]" 1
749 1 109 VAL H 1 109 VAL QG . . 3.900 2.555 2.555 2.555 . 0 0 "[ ]" 1
750 1 109 VAL H 1 109 VAL MG2 . . 4.790 3.560 3.560 3.560 . 0 0 "[ ]" 1
751 1 109 VAL H 1 110 ALA H . . 3.400 2.688 2.688 2.688 . 0 0 "[ ]" 1
752 1 109 VAL HA 1 110 ALA H . . 3.600 3.576 3.576 3.576 . 0 0 "[ ]" 1
753 1 109 VAL HA 1 112 GLN H . . 3.300 3.311 3.311 3.311 0.011 1 0 "[ ]" 1
754 1 109 VAL HA 1 112 GLN QB . . 4.500 3.386 3.386 3.386 . 0 0 "[ ]" 1
755 1 109 VAL MG1 1 110 ALA H . . 6.000 2.153 2.153 2.153 . 0 0 "[ ]" 1
756 1 109 VAL MG2 1 110 ALA H . . 6.000 4.158 4.158 4.158 . 0 0 "[ ]" 1
757 1 109 VAL O 1 113 VAL H . . 2.000 1.825 1.825 1.825 . 0 0 "[ ]" 1
758 1 109 VAL O 1 113 VAL N . . 3.000 2.679 2.679 2.679 . 0 0 "[ ]" 1
759 1 110 ALA H 1 111 GLU H . . 2.740 2.525 2.525 2.525 . 0 0 "[ ]" 1
760 1 110 ALA HA 1 111 GLU H . . 3.500 3.572 3.572 3.572 0.072 1 0 "[ ]" 1
761 1 110 ALA HA 1 113 VAL H . . 4.000 3.371 3.371 3.371 . 0 0 "[ ]" 1
762 1 110 ALA HA 1 113 VAL HB . . 4.500 2.309 2.309 2.309 . 0 0 "[ ]" 1
763 1 110 ALA HA 1 114 MET H . . 5.500 3.803 3.803 3.803 . 0 0 "[ ]" 1
764 1 110 ALA MB 1 111 GLU H . . 3.800 2.742 2.742 2.742 . 0 0 "[ ]" 1
765 1 110 ALA MB 1 112 GLN H . . 5.600 4.716 4.716 4.716 . 0 0 "[ ]" 1
766 1 110 ALA MB 1 113 VAL H . . 6.000 4.540 4.540 4.540 . 0 0 "[ ]" 1
767 1 110 ALA O 1 114 MET H . . 2.000 1.928 1.928 1.928 . 0 0 "[ ]" 1
768 1 110 ALA O 1 114 MET N . . 3.000 2.789 2.789 2.789 . 0 0 "[ ]" 1
769 1 111 GLU H 1 111 GLU HB2 . . 2.830 2.250 2.250 2.250 . 0 0 "[ ]" 1
770 1 111 GLU H 1 111 GLU QB . . 2.490 2.157 2.157 2.157 . 0 0 "[ ]" 1
771 1 111 GLU H 1 111 GLU HB3 . . 2.830 2.767 2.767 2.767 . 0 0 "[ ]" 1
772 1 111 GLU H 1 112 GLN H . . 2.820 2.590 2.590 2.590 . 0 0 "[ ]" 1
773 1 111 GLU HA 1 112 GLN H . . 3.520 3.615 3.615 3.615 0.095 1 0 "[ ]" 1
774 1 111 GLU HA 1 114 MET H . . 3.390 3.402 3.402 3.402 0.012 1 0 "[ ]" 1
775 1 111 GLU HA 1 114 MET QB . . 4.500 2.730 2.730 2.730 . 0 0 "[ ]" 1
776 1 111 GLU O 1 115 LYS H . . 2.000 2.012 2.012 2.012 0.012 1 0 "[ ]" 1
777 1 111 GLU O 1 115 LYS N . . 3.000 2.904 2.904 2.904 . 0 0 "[ ]" 1
778 1 112 GLN H 1 112 GLN QG . . 4.500 2.561 2.561 2.561 . 0 0 "[ ]" 1
779 1 112 GLN H 1 113 VAL H . . 3.000 2.514 2.514 2.514 . 0 0 "[ ]" 1
780 1 112 GLN HA 1 113 VAL H . . 3.500 3.553 3.553 3.553 0.053 1 0 "[ ]" 1
781 1 112 GLN HA 1 115 LYS QB . . 4.500 2.588 2.588 2.588 . 0 0 "[ ]" 1
782 1 112 GLN QG 1 113 VAL H . . 5.500 2.238 2.238 2.238 . 0 0 "[ ]" 1
783 1 112 GLN O 1 116 ALA H . . 2.000 2.007 2.007 2.007 0.007 1 0 "[ ]" 1
784 1 112 GLN O 1 116 ALA N . . 3.000 2.854 2.854 2.854 . 0 0 "[ ]" 1
785 1 113 VAL H 1 113 VAL HB . . 4.000 2.223 2.223 2.223 . 0 0 "[ ]" 1
786 1 113 VAL H 1 113 VAL QG . . 4.210 2.413 2.413 2.413 . 0 0 "[ ]" 1
787 1 113 VAL H 1 114 MET H . . 2.740 2.467 2.467 2.467 . 0 0 "[ ]" 1
788 1 113 VAL H 1 115 LYS H . . 5.500 3.922 3.922 3.922 . 0 0 "[ ]" 1
789 1 113 VAL HA 1 114 MET H . . 3.540 3.583 3.583 3.583 0.043 1 0 "[ ]" 1
790 1 113 VAL HA 1 115 LYS H . . 4.420 4.346 4.346 4.346 . 0 0 "[ ]" 1
791 1 113 VAL HA 1 116 ALA H . . 4.110 3.336 3.336 3.336 . 0 0 "[ ]" 1
792 1 113 VAL HA 1 116 ALA MB . . 4.500 2.291 2.291 2.291 . 0 0 "[ ]" 1
793 1 113 VAL QG 1 114 MET H . . 5.030 3.283 3.283 3.283 . 0 0 "[ ]" 1
794 1 113 VAL MG1 1 114 MET H . . 5.660 3.463 3.463 3.463 . 0 0 "[ ]" 1
795 1 113 VAL MG2 1 114 MET H . . 5.660 4.077 4.077 4.077 . 0 0 "[ ]" 1
796 1 114 MET H 1 114 MET HB2 . . 4.000 2.359 2.359 2.359 . 0 0 "[ ]" 1
797 1 114 MET H 1 114 MET QB . . 3.640 2.172 2.172 2.172 . 0 0 "[ ]" 1
798 1 114 MET H 1 114 MET HB3 . . 4.000 2.540 2.540 2.540 . 0 0 "[ ]" 1
799 1 114 MET H 1 114 MET QG . . 4.300 3.925 3.925 3.925 . 0 0 "[ ]" 1
800 1 114 MET H 1 115 LYS H . . 3.210 2.537 2.537 2.537 . 0 0 "[ ]" 1
801 1 114 MET HA 1 115 LYS H . . 3.510 3.579 3.579 3.579 0.069 1 0 "[ ]" 1
802 1 114 MET HA 1 116 ALA H . . 4.320 4.267 4.267 4.267 . 0 0 "[ ]" 1
803 1 114 MET QG 1 115 LYS H . . 6.380 4.349 4.349 4.349 . 0 0 "[ ]" 1
804 1 115 LYS H 1 115 LYS QB . . 3.790 2.052 2.052 2.052 . 0 0 "[ ]" 1
805 1 115 LYS H 1 115 LYS QD . . 5.070 4.221 4.221 4.221 . 0 0 "[ ]" 1
806 1 115 LYS H 1 115 LYS QG . . 4.090 3.179 3.179 3.179 . 0 0 "[ ]" 1
807 1 115 LYS H 1 116 ALA H . . 2.800 2.427 2.427 2.427 . 0 0 "[ ]" 1
808 1 115 LYS HA 1 116 ALA H . . 3.500 3.563 3.563 3.563 0.063 1 0 "[ ]" 1
809 1 115 LYS HA 1 117 ASP H . . 4.690 4.335 4.335 4.335 . 0 0 "[ ]" 1
810 1 115 LYS QB 1 116 ALA H . . 3.930 2.967 2.967 2.967 . 0 0 "[ ]" 1
811 1 115 LYS QG 1 116 ALA H . . 6.380 4.641 4.641 4.641 . 0 0 "[ ]" 1
812 1 116 ALA H 1 116 ALA MB . . 3.550 2.026 2.026 2.026 . 0 0 "[ ]" 1
813 1 116 ALA H 1 117 ASP H . . 2.990 2.606 2.606 2.606 . 0 0 "[ ]" 1
814 1 116 ALA HA 1 117 ASP H . . 3.590 3.606 3.606 3.606 0.016 1 0 "[ ]" 1
815 1 116 ALA MB 1 117 ASP H . . 4.500 2.689 2.689 2.689 . 0 0 "[ ]" 1
816 1 117 ASP CG 1 122 GLY H . . 3.000 3.500 3.500 3.500 0.500 1 1 [+] 1
817 1 117 ASP CG 5 1 CA CA . . 4.000 3.855 3.855 3.855 . 0 0 "[ ]" 1
818 1 117 ASP H 1 117 ASP QB . . 3.800 2.234 2.234 2.234 . 0 0 "[ ]" 1
819 1 117 ASP H 1 118 ALA H . . 4.050 3.995 3.995 3.995 . 0 0 "[ ]" 1
820 1 117 ASP HA 1 118 ALA H . . 4.500 2.404 2.404 2.404 . 0 0 "[ ]" 1
821 1 117 ASP HA 1 119 ASN H . . 4.510 3.805 3.805 3.805 . 0 0 "[ ]" 1
822 1 117 ASP QB 1 118 ALA H . . 5.000 4.087 4.087 4.087 . 0 0 "[ ]" 1
823 1 118 ALA H 1 119 ASN H . . 4.000 3.330 3.330 3.330 . 0 0 "[ ]" 1
824 1 118 ALA HA 1 119 ASN H . . 4.020 2.730 2.730 2.730 . 0 0 "[ ]" 1
825 1 118 ALA HA 1 120 GLY H . . 4.500 4.254 4.254 4.254 . 0 0 "[ ]" 1
826 1 118 ALA MB 1 119 ASN H . . 4.500 3.782 3.782 3.782 . 0 0 "[ ]" 1
827 1 119 ASN H 1 119 ASN QB . . 3.170 2.657 2.657 2.657 . 0 0 "[ ]" 1
828 1 119 ASN H 1 120 GLY H . . 4.000 2.028 2.028 2.028 . 0 0 "[ ]" 1
829 1 119 ASN HA 1 120 GLY H . . 4.500 3.636 3.636 3.636 . 0 0 "[ ]" 1
830 1 119 ASN QB 1 120 GLY H . . 4.500 2.365 2.365 2.365 . 0 0 "[ ]" 1
831 1 119 ASN OD1 5 1 CA CA . . 2.800 2.665 2.665 2.665 . 0 0 "[ ]" 1
832 1 120 GLY H 1 121 ASP H . . 4.500 2.356 2.356 2.356 . 0 0 "[ ]" 1
833 1 120 GLY H 1 122 GLY H . . 5.000 3.432 3.432 3.432 . 0 0 "[ ]" 1
834 1 120 GLY QA 1 121 ASP H . . 4.000 2.981 2.981 2.981 . 0 0 "[ ]" 1
835 1 120 GLY QA 1 122 GLY H . . 5.500 4.026 4.026 4.026 . 0 0 "[ ]" 1
836 1 121 ASP CG 5 1 CA CA . . 4.000 3.794 3.794 3.794 . 0 0 "[ ]" 1
837 1 121 ASP H 1 122 GLY H . . 3.500 2.701 2.701 2.701 . 0 0 "[ ]" 1
838 1 121 ASP HA 1 122 GLY H . . 4.000 3.635 3.635 3.635 . 0 0 "[ ]" 1
839 1 121 ASP QB 1 122 GLY H . . 4.500 3.276 3.276 3.276 . 0 0 "[ ]" 1
840 1 122 GLY H 1 123 TYR H . . 4.000 2.211 2.211 2.211 . 0 0 "[ ]" 1
841 1 122 GLY QA 1 123 TYR H . . 4.000 2.892 2.892 2.892 . 0 0 "[ ]" 1
842 1 123 TYR HA 1 124 ILE H . . 2.700 2.408 2.408 2.408 . 0 0 "[ ]" 1
843 1 123 TYR QB 1 124 ILE H . . 4.500 2.641 2.641 2.641 . 0 0 "[ ]" 1
844 1 123 TYR O 5 1 CA CA . . 2.800 2.688 2.688 2.688 . 0 0 "[ ]" 1
845 1 124 ILE H 1 124 ILE HB . . 4.000 3.960 3.960 3.960 . 0 0 "[ ]" 1
846 1 124 ILE H 1 124 ILE QG . . 5.000 2.654 2.654 2.654 . 0 0 "[ ]" 1
847 1 124 ILE HA 1 125 THR H . . 3.000 2.479 2.479 2.479 . 0 0 "[ ]" 1
848 1 124 ILE HB 1 124 ILE MD . . 3.000 2.248 2.248 2.248 . 0 0 "[ ]" 1
849 1 124 ILE HB 1 125 THR H . . 5.000 2.521 2.521 2.521 . 0 0 "[ ]" 1
850 1 124 ILE MD 1 125 THR H . . 5.500 3.899 3.899 3.899 . 0 0 "[ ]" 1
851 1 124 ILE QG 1 125 THR H . . 4.330 3.312 3.312 3.312 . 0 0 "[ ]" 1
852 1 124 ILE MG 1 125 THR H . . 5.720 3.897 3.897 3.897 . 0 0 "[ ]" 1
853 1 125 THR H 1 125 THR HB . . 4.000 3.762 3.762 3.762 . 0 0 "[ ]" 1
854 1 125 THR HA 1 126 LEU H . . 3.500 2.611 2.611 2.611 . 0 0 "[ ]" 1
855 1 125 THR HB 1 126 LEU H . . 4.500 2.406 2.406 2.406 . 0 0 "[ ]" 1
856 1 125 THR OG1 1 128 GLU H . . 2.100 2.093 2.093 2.093 . 0 0 "[ ]" 1
857 1 126 LEU H 1 126 LEU QB . . 3.860 2.189 2.189 2.189 . 0 0 "[ ]" 1
858 1 126 LEU H 1 126 LEU HG . . 4.860 4.409 4.409 4.409 . 0 0 "[ ]" 1
859 1 126 LEU H 1 127 GLU H . . 3.080 2.523 2.523 2.523 . 0 0 "[ ]" 1
860 1 126 LEU HA 1 127 GLU H . . 3.580 3.589 3.589 3.589 0.009 1 0 "[ ]" 1
861 1 126 LEU HA 1 129 PHE QB . . 4.500 2.178 2.178 2.178 . 0 0 "[ ]" 1
862 1 126 LEU QB 1 127 GLU H . . 4.260 2.722 2.722 2.722 . 0 0 "[ ]" 1
863 1 126 LEU QB 1 129 PHE H . . 5.500 4.810 4.810 4.810 . 0 0 "[ ]" 1
864 1 126 LEU HB2 1 127 GLU H . . 4.500 3.929 3.929 3.929 . 0 0 "[ ]" 1
865 1 126 LEU HB3 1 127 GLU H . . 4.500 2.776 2.776 2.776 . 0 0 "[ ]" 1
866 1 126 LEU QD 1 127 GLU H . . 5.310 3.817 3.817 3.817 . 0 0 "[ ]" 1
867 1 126 LEU MD1 1 127 GLU H . . 6.000 5.000 5.000 5.000 . 0 0 "[ ]" 1
868 1 126 LEU MD2 1 127 GLU H . . 6.000 3.960 3.960 3.960 . 0 0 "[ ]" 1
869 1 126 LEU O 1 130 LEU H . . 2.000 2.006 2.006 2.006 0.006 1 0 "[ ]" 1
870 1 126 LEU O 1 130 LEU N . . 3.000 2.912 2.912 2.912 . 0 0 "[ ]" 1
871 1 127 GLU H 1 127 GLU HB2 . . 3.500 2.055 2.055 2.055 . 0 0 "[ ]" 1
872 1 127 GLU H 1 127 GLU HB3 . . 3.500 3.337 3.337 3.337 . 0 0 "[ ]" 1
873 1 127 GLU H 1 127 GLU HG2 . . 5.500 4.385 4.385 4.385 . 0 0 "[ ]" 1
874 1 127 GLU H 1 127 GLU HG3 . . 5.500 3.391 3.391 3.391 . 0 0 "[ ]" 1
875 1 127 GLU H 1 128 GLU H . . 3.140 2.630 2.630 2.630 . 0 0 "[ ]" 1
876 1 127 GLU HA 1 128 GLU H . . 3.540 3.601 3.601 3.601 0.061 1 0 "[ ]" 1
877 1 127 GLU HA 1 130 LEU H . . 4.000 3.553 3.553 3.553 . 0 0 "[ ]" 1
878 1 127 GLU HA 1 130 LEU QB . . 4.500 3.100 3.100 3.100 . 0 0 "[ ]" 1
879 1 127 GLU QG 1 128 GLU H . . 6.380 4.502 4.502 4.502 . 0 0 "[ ]" 1
880 1 127 GLU O 1 131 GLU H . . 2.000 1.977 1.977 1.977 . 0 0 "[ ]" 1
881 1 127 GLU O 1 131 GLU N . . 3.000 2.958 2.958 2.958 . 0 0 "[ ]" 1
882 1 128 GLU H 1 128 GLU HB2 . . 4.000 2.640 2.640 2.640 . 0 0 "[ ]" 1
883 1 128 GLU H 1 128 GLU QB . . 3.650 2.212 2.212 2.212 . 0 0 "[ ]" 1
884 1 128 GLU H 1 128 GLU HB3 . . 4.000 2.374 2.374 2.374 . 0 0 "[ ]" 1
885 1 128 GLU H 1 128 GLU QG . . 4.500 3.922 3.922 3.922 . 0 0 "[ ]" 1
886 1 128 GLU H 1 129 PHE H . . 3.000 2.464 2.464 2.464 . 0 0 "[ ]" 1
887 1 128 GLU H 1 130 LEU H . . 5.500 4.110 4.110 4.110 . 0 0 "[ ]" 1
888 1 128 GLU HA 1 129 PHE H . . 3.500 3.556 3.556 3.556 0.056 1 0 "[ ]" 1
889 1 128 GLU HA 1 131 GLU QB . . 4.500 2.818 2.818 2.818 . 0 0 "[ ]" 1
890 1 128 GLU QG 1 129 PHE H . . 4.300 3.765 3.765 3.765 . 0 0 "[ ]" 1
891 1 128 GLU O 1 132 PHE H . . 2.000 2.004 2.004 2.004 0.004 1 0 "[ ]" 1
892 1 128 GLU O 1 132 PHE N . . 3.000 2.779 2.779 2.779 . 0 0 "[ ]" 1
893 1 128 GLU OE1 5 1 CA CA . . 2.800 2.718 2.718 2.718 . 0 0 "[ ]" 1
894 1 128 GLU OE2 5 1 CA CA . . 2.800 2.785 2.785 2.785 . 0 0 "[ ]" 1
895 1 129 PHE H 1 129 PHE HB2 . . 4.000 2.456 2.456 2.456 . 0 0 "[ ]" 1
896 1 129 PHE H 1 129 PHE QB . . 3.550 2.083 2.083 2.083 . 0 0 "[ ]" 1
897 1 129 PHE H 1 129 PHE HB3 . . 4.000 2.251 2.251 2.251 . 0 0 "[ ]" 1
898 1 129 PHE H 1 130 LEU H . . 3.140 2.611 2.611 2.611 . 0 0 "[ ]" 1
899 1 129 PHE HA 1 130 LEU H . . 3.540 3.597 3.597 3.597 0.057 1 0 "[ ]" 1
900 1 129 PHE HA 1 132 PHE H . . 4.450 3.655 3.655 3.655 . 0 0 "[ ]" 1
901 1 129 PHE HA 1 132 PHE QB . . 4.500 2.477 2.477 2.477 . 0 0 "[ ]" 1
902 1 130 LEU H 1 130 LEU HB2 . . 4.000 2.480 2.480 2.480 . 0 0 "[ ]" 1
903 1 130 LEU H 1 130 LEU QB . . 3.650 2.205 2.205 2.205 . 0 0 "[ ]" 1
904 1 130 LEU H 1 130 LEU HB3 . . 4.000 2.469 2.469 2.469 . 0 0 "[ ]" 1
905 1 130 LEU H 1 130 LEU HG . . 4.500 4.409 4.409 4.409 . 0 0 "[ ]" 1
906 1 130 LEU H 1 131 GLU H . . 3.020 2.612 2.612 2.612 . 0 0 "[ ]" 1
907 1 130 LEU HA 1 133 SER QB . . 4.500 3.145 3.145 3.145 . 0 0 "[ ]" 1
908 1 130 LEU QB 1 131 GLU H . . 4.880 2.368 2.368 2.368 . 0 0 "[ ]" 1
909 1 130 LEU HG 1 131 GLU H . . 4.320 4.321 4.321 4.321 0.001 1 0 "[ ]" 1
910 1 131 GLU H 1 131 GLU HB2 . . 4.050 2.085 2.085 2.085 . 0 0 "[ ]" 1
911 1 131 GLU H 1 131 GLU HB3 . . 4.050 2.968 2.968 2.968 . 0 0 "[ ]" 1
912 1 131 GLU H 1 132 PHE H . . 3.000 2.727 2.727 2.727 . 0 0 "[ ]" 1
913 1 131 GLU HA 1 132 PHE H . . 3.500 3.543 3.543 3.543 0.043 1 0 "[ ]" 1
914 1 131 GLU HA 1 134 LEU QB . . 4.500 2.253 2.253 2.253 . 0 0 "[ ]" 1
915 1 131 GLU QB 1 132 PHE H . . 3.590 2.935 2.935 2.935 . 0 0 "[ ]" 1
916 1 131 GLU HB2 1 132 PHE H . . 3.890 3.724 3.724 3.724 . 0 0 "[ ]" 1
917 1 131 GLU HB3 1 132 PHE H . . 3.890 3.072 3.072 3.072 . 0 0 "[ ]" 1
918 1 132 PHE H 1 132 PHE QB . . 3.820 2.006 2.006 2.006 . 0 0 "[ ]" 1
919 1 132 PHE H 1 133 SER H . . 3.300 2.716 2.716 2.716 . 0 0 "[ ]" 1
920 1 132 PHE HA 1 133 SER H . . 3.520 3.586 3.586 3.586 0.066 1 0 "[ ]" 1
921 1 133 SER H 1 133 SER HA . . 2.800 2.822 2.822 2.822 0.022 1 0 "[ ]" 1
922 1 133 SER H 1 133 SER QB . . 3.500 2.055 2.055 2.055 . 0 0 "[ ]" 1
923 1 133 SER H 1 134 LEU H . . 3.760 2.454 2.454 2.454 . 0 0 "[ ]" 1
924 1 133 SER HA 1 134 LEU H . . 3.500 3.550 3.550 3.550 0.050 1 0 "[ ]" 1
925 1 134 LEU H 1 134 LEU HB2 . . 4.000 2.054 2.054 2.054 . 0 0 "[ ]" 1
926 1 134 LEU H 1 134 LEU HB3 . . 4.000 3.332 3.332 3.332 . 0 0 "[ ]" 1
927 1 134 LEU H 1 134 LEU HG . . 5.140 3.940 3.940 3.940 . 0 0 "[ ]" 1
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