NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
390738 |
1or5   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1or5
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 1167
_Distance_constraint_stats_list.Viol_count 18
_Distance_constraint_stats_list.Viol_total 0.477
_Distance_constraint_stats_list.Viol_max 0.064
_Distance_constraint_stats_list.Viol_rms 0.0040
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0265
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ALA 0.000 0.000 . 0 "[ ]"
1 4 LEU 0.000 0.000 1 0 "[ ]"
1 5 THR 0.000 0.000 1 0 "[ ]"
1 6 VAL 0.000 0.000 . 0 "[ ]"
1 7 ASP 0.000 0.000 . 0 "[ ]"
1 8 ASP 0.000 0.000 . 0 "[ ]"
1 9 LEU 0.000 0.000 . 0 "[ ]"
1 10 LYS 0.012 0.012 1 0 "[ ]"
1 11 LYS 0.012 0.012 1 0 "[ ]"
1 12 LEU 0.046 0.046 1 0 "[ ]"
1 13 LEU 0.046 0.046 1 0 "[ ]"
1 14 ALA 0.025 0.025 1 0 "[ ]"
1 15 GLU 0.000 0.000 . 0 "[ ]"
1 16 THR 0.000 0.000 . 0 "[ ]"
1 17 ALA 0.052 0.027 1 0 "[ ]"
1 18 GLY 0.000 0.000 . 0 "[ ]"
1 19 GLU 0.009 0.009 1 0 "[ ]"
1 20 ASP 0.022 0.013 1 0 "[ ]"
1 21 ASP 0.000 0.000 . 0 "[ ]"
1 22 SER 0.088 0.064 1 0 "[ ]"
1 23 VAL 0.000 0.000 . 0 "[ ]"
1 24 ASP 0.075 0.064 1 0 "[ ]"
1 25 LEU 0.000 0.000 . 0 "[ ]"
1 26 ALA 0.000 0.000 . 0 "[ ]"
1 27 GLY 0.000 0.000 . 0 "[ ]"
1 28 GLU 0.000 0.000 . 0 "[ ]"
1 29 LEU 0.000 0.000 . 0 "[ ]"
1 30 ASP 0.000 0.000 . 0 "[ ]"
1 31 THR 0.000 0.000 . 0 "[ ]"
1 32 PRO 0.018 0.018 1 0 "[ ]"
1 33 PHE 0.000 0.000 . 0 "[ ]"
1 34 VAL 0.000 0.000 . 0 "[ ]"
1 35 ASP 0.018 0.018 1 0 "[ ]"
1 36 LEU 0.000 0.000 . 0 "[ ]"
1 37 GLY 0.000 0.000 . 0 "[ ]"
1 38 TYR 0.030 0.030 1 0 "[ ]"
1 39 ASP 0.000 0.000 . 0 "[ ]"
1 40 SER 0.000 0.000 . 0 "[ ]"
1 41 LEU 0.000 0.000 . 0 "[ ]"
1 42 ALA 0.000 0.000 . 0 "[ ]"
1 43 LEU 0.013 0.013 1 0 "[ ]"
1 44 LEU 0.000 0.000 . 0 "[ ]"
1 45 GLU 0.003 0.003 1 0 "[ ]"
1 46 THR 0.044 0.027 1 0 "[ ]"
1 47 ALA 0.000 0.000 . 0 "[ ]"
1 48 ALA 0.000 0.000 . 0 "[ ]"
1 49 VAL 0.000 0.000 . 0 "[ ]"
1 50 LEU 0.022 0.022 1 0 "[ ]"
1 51 GLN 0.000 0.000 . 0 "[ ]"
1 52 GLN 0.000 0.000 . 0 "[ ]"
1 53 ARG 0.000 0.000 . 0 "[ ]"
1 54 TYR 0.022 0.022 1 0 "[ ]"
1 55 GLY 0.000 0.000 . 0 "[ ]"
1 56 ILE 0.000 0.000 . 0 "[ ]"
1 57 ALA 0.000 0.000 . 0 "[ ]"
1 58 LEU 0.000 0.000 . 0 "[ ]"
1 59 THR 0.000 0.000 . 0 "[ ]"
1 60 ASP 0.000 0.000 . 0 "[ ]"
1 61 GLU 0.034 0.034 1 0 "[ ]"
1 62 THR 0.000 0.000 . 0 "[ ]"
1 63 VAL 0.000 0.000 . 0 "[ ]"
1 64 GLY 0.034 0.034 1 0 "[ ]"
1 65 ARG 0.000 0.000 . 0 "[ ]"
1 66 LEU 0.000 0.000 . 0 "[ ]"
1 67 GLY 0.048 0.048 1 0 "[ ]"
1 68 THR 0.048 0.048 1 0 "[ ]"
1 69 PRO 0.000 0.000 . 0 "[ ]"
1 70 ARG 0.030 0.030 1 0 "[ ]"
1 71 GLU 0.000 0.000 . 0 "[ ]"
1 72 LEU 0.000 0.000 . 0 "[ ]"
1 73 LEU 0.000 0.000 . 0 "[ ]"
1 74 ASP 0.000 0.000 . 0 "[ ]"
1 75 GLU 0.046 0.046 1 0 "[ ]"
1 76 VAL 0.101 0.055 1 0 "[ ]"
1 77 ASN 0.055 0.055 1 0 "[ ]"
1 78 THR 0.000 0.000 . 0 "[ ]"
1 79 THR 0.000 0.000 . 0 "[ ]"
1 80 PRO 0.000 0.000 . 0 "[ ]"
1 81 ALA 0.000 0.000 . 0 "[ ]"
1 82 THR 0.000 0.000 . 0 "[ ]"
1 83 ALA 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 3 ALA H 1 4 LEU H . . 3.500 2.686 2.686 2.686 . 0 0 "[ ]" 1
2 1 3 ALA HA 1 4 LEU H . . 4.200 3.642 3.642 3.642 . 0 0 "[ ]" 1
3 1 3 ALA MB 1 4 LEU H . . 5.000 2.303 2.303 2.303 . 0 0 "[ ]" 1
4 1 3 ALA MB 1 77 ASN QB . . 7.500 5.233 5.233 5.233 . 0 0 "[ ]" 1
5 1 3 ALA MB 1 77 ASN QD . . 7.500 4.189 4.189 4.189 . 0 0 "[ ]" 1
6 1 4 LEU H 1 4 LEU HB2 . . 3.500 3.023 3.023 3.023 . 0 0 "[ ]" 1
7 1 4 LEU H 1 4 LEU HB3 . . 3.500 2.395 2.395 2.395 . 0 0 "[ ]" 1
8 1 4 LEU H 1 4 LEU HG . . 5.000 4.460 4.460 4.460 . 0 0 "[ ]" 1
9 1 4 LEU H 1 5 THR H . . 5.000 4.514 4.514 4.514 . 0 0 "[ ]" 1
10 1 4 LEU H 1 76 VAL MG1 . . 6.000 4.685 4.685 4.685 . 0 0 "[ ]" 1
11 1 4 LEU H 1 77 ASN QD . . 3.500 2.506 2.506 2.506 . 0 0 "[ ]" 1
12 1 4 LEU HA 1 4 LEU HG . . 4.200 2.600 2.600 2.600 . 0 0 "[ ]" 1
13 1 4 LEU HA 1 5 THR H . . 3.500 2.254 2.254 2.254 . 0 0 "[ ]" 1
14 1 4 LEU QB 1 5 THR H . . 4.200 3.679 3.679 3.679 . 0 0 "[ ]" 1
15 1 4 LEU HB2 1 4 LEU MD1 . . 3.500 2.057 2.057 2.057 . 0 0 "[ ]" 1
16 1 4 LEU HB2 1 5 THR H . . 4.200 4.067 4.067 4.067 . 0 0 "[ ]" 1
17 1 4 LEU HB2 1 54 TYR HB2 . . 10.000 7.805 7.805 7.805 . 0 0 "[ ]" 1
18 1 4 LEU HB3 1 4 LEU MD2 . . 3.500 2.014 2.014 2.014 . 0 0 "[ ]" 1
19 1 4 LEU HB3 1 5 THR H . . 4.200 4.200 4.200 4.200 . 1 0 "[ ]" 1
20 1 4 LEU HB3 1 76 VAL MG1 . . 4.200 3.175 3.175 3.175 . 0 0 "[ ]" 1
21 1 4 LEU QD 1 8 ASP HB2 . . 5.000 3.723 3.723 3.723 . 0 0 "[ ]" 1
22 1 4 LEU QD 1 8 ASP HB3 . . 5.000 3.034 3.034 3.034 . 0 0 "[ ]" 1
23 1 4 LEU QD 1 50 LEU QB . . 7.500 4.788 4.788 4.788 . 0 0 "[ ]" 1
24 1 4 LEU QD 1 50 LEU QD . . 7.500 2.340 2.340 2.340 . 0 0 "[ ]" 1
25 1 4 LEU QD 1 54 TYR HE1 . . 15.000 3.775 3.775 3.775 . 0 0 "[ ]" 1
26 1 4 LEU QD 1 76 VAL HB . . 5.000 2.755 2.755 2.755 . 0 0 "[ ]" 1
27 1 4 LEU QD 1 76 VAL QG . . 5.000 2.590 2.590 2.590 . 0 0 "[ ]" 1
28 1 4 LEU MD1 1 5 THR H . . 5.000 3.903 3.903 3.903 . 0 0 "[ ]" 1
29 1 4 LEU MD1 1 9 LEU H . . 6.000 4.007 4.007 4.007 . 0 0 "[ ]" 1
30 1 4 LEU MD1 1 9 LEU HA . . 7.500 3.110 3.110 3.110 . 0 0 "[ ]" 1
31 1 4 LEU MD1 1 76 VAL HB . . 5.000 3.875 3.875 3.875 . 0 0 "[ ]" 1
32 1 4 LEU MD2 1 5 THR H . . 5.000 3.376 3.376 3.376 . 0 0 "[ ]" 1
33 1 4 LEU MD2 1 9 LEU H . . 6.000 3.793 3.793 3.793 . 0 0 "[ ]" 1
34 1 4 LEU MD2 1 9 LEU HA . . 7.500 4.014 4.014 4.014 . 0 0 "[ ]" 1
35 1 4 LEU MD2 1 73 LEU HA . . 5.000 2.401 2.401 2.401 . 0 0 "[ ]" 1
36 1 4 LEU MD2 1 73 LEU MD1 . . 5.000 3.033 3.033 3.033 . 0 0 "[ ]" 1
37 1 4 LEU MD2 1 73 LEU MD2 . . 7.500 3.814 3.814 3.814 . 0 0 "[ ]" 1
38 1 4 LEU MD2 1 76 VAL HB . . 5.000 2.819 2.819 2.819 . 0 0 "[ ]" 1
39 1 4 LEU HG 1 5 THR H . . 4.200 2.322 2.322 2.322 . 0 0 "[ ]" 1
40 1 4 LEU HG 1 8 ASP HB3 . . 4.200 3.219 3.219 3.219 . 0 0 "[ ]" 1
41 1 4 LEU HG 1 54 TYR HB3 . . 12.000 10.683 10.683 10.683 . 0 0 "[ ]" 1
42 1 5 THR H 1 5 THR MG . . 3.500 1.957 1.957 1.957 . 0 0 "[ ]" 1
43 1 5 THR H 1 6 VAL H . . 5.000 4.457 4.457 4.457 . 0 0 "[ ]" 1
44 1 5 THR H 1 7 ASP H . . 5.000 3.972 3.972 3.972 . 0 0 "[ ]" 1
45 1 5 THR H 1 8 ASP H . . 4.200 3.030 3.030 3.030 . 0 0 "[ ]" 1
46 1 5 THR H 1 8 ASP HB2 . . 3.500 2.372 2.372 2.372 . 0 0 "[ ]" 1
47 1 5 THR H 1 8 ASP HB3 . . 4.200 3.568 3.568 3.568 . 0 0 "[ ]" 1
48 1 5 THR HA 1 6 VAL H . . 3.500 2.515 2.515 2.515 . 0 0 "[ ]" 1
49 1 5 THR HA 1 7 ASP H . . 5.000 3.899 3.899 3.899 . 0 0 "[ ]" 1
50 1 5 THR HB 1 6 VAL H . . 5.000 3.686 3.686 3.686 . 0 0 "[ ]" 1
51 1 5 THR HB 1 7 ASP H . . 6.000 4.007 4.007 4.007 . 0 0 "[ ]" 1
52 1 5 THR MG 1 6 VAL H . . 5.000 3.543 3.543 3.543 . 0 0 "[ ]" 1
53 1 5 THR MG 1 7 ASP H . . 5.000 1.978 1.978 1.978 . 0 0 "[ ]" 1
54 1 5 THR MG 1 7 ASP HA . . 7.500 3.912 3.912 3.912 . 0 0 "[ ]" 1
55 1 5 THR MG 1 7 ASP HB2 . . 7.500 2.050 2.050 2.050 . 0 0 "[ ]" 1
56 1 5 THR MG 1 8 ASP H . . 7.500 1.907 1.907 1.907 . 0 0 "[ ]" 1
57 1 5 THR MG 1 10 LYS H . . 7.500 5.093 5.093 5.093 . 0 0 "[ ]" 1
58 1 6 VAL H 1 6 VAL HB . . 2.900 2.117 2.117 2.117 . 0 0 "[ ]" 1
59 1 6 VAL H 1 6 VAL MG2 . . 4.200 3.582 3.582 3.582 . 0 0 "[ ]" 1
60 1 6 VAL H 1 7 ASP H . . 2.900 2.629 2.629 2.629 . 0 0 "[ ]" 1
61 1 6 VAL H 1 9 LEU H . . 5.000 4.675 4.675 4.675 . 0 0 "[ ]" 1
62 1 6 VAL H 1 73 LEU QD . . 5.000 2.348 2.348 2.348 . 0 0 "[ ]" 1
63 1 6 VAL HA 1 6 VAL MG2 . . 3.500 2.196 2.196 2.196 . 0 0 "[ ]" 1
64 1 6 VAL HA 1 7 ASP H . . 5.000 3.422 3.422 3.422 . 0 0 "[ ]" 1
65 1 6 VAL HA 1 9 LEU H . . 4.200 3.280 3.280 3.280 . 0 0 "[ ]" 1
66 1 6 VAL HA 1 9 LEU HB2 . . 5.000 3.452 3.452 3.452 . 0 0 "[ ]" 1
67 1 6 VAL HA 1 9 LEU HB3 . . 3.500 2.118 2.118 2.118 . 0 0 "[ ]" 1
68 1 6 VAL HA 1 9 LEU HG . . 6.000 4.047 4.047 4.047 . 0 0 "[ ]" 1
69 1 6 VAL HA 1 10 LYS H . . 4.200 3.232 3.232 3.232 . 0 0 "[ ]" 1
70 1 6 VAL HA 1 73 LEU MD2 . . 3.500 2.619 2.619 2.619 . 0 0 "[ ]" 1
71 1 6 VAL HB 1 7 ASP H . . 4.200 4.022 4.022 4.022 . 0 0 "[ ]" 1
72 1 6 VAL MG1 1 7 ASP H . . 4.200 2.882 2.882 2.882 . 0 0 "[ ]" 1
73 1 6 VAL MG1 1 7 ASP HB2 . . 7.000 3.713 3.713 3.713 . 0 0 "[ ]" 1
74 1 6 VAL MG1 1 8 ASP H . . 6.000 4.902 4.902 4.902 . 0 0 "[ ]" 1
75 1 6 VAL MG1 1 10 LYS H . . 6.000 4.115 4.115 4.115 . 0 0 "[ ]" 1
76 1 6 VAL MG1 1 10 LYS HA . . 6.500 5.310 5.310 5.310 . 0 0 "[ ]" 1
77 1 6 VAL MG1 1 10 LYS QD . . 6.000 3.630 3.630 3.630 . 0 0 "[ ]" 1
78 1 6 VAL MG1 1 10 LYS QE . . 7.500 5.117 5.117 5.117 . 0 0 "[ ]" 1
79 1 6 VAL MG1 1 10 LYS HG3 . . 7.500 5.475 5.475 5.475 . 0 0 "[ ]" 1
80 1 6 VAL MG1 1 26 ALA HA . . 5.000 3.434 3.434 3.434 . 0 0 "[ ]" 1
81 1 6 VAL MG1 1 26 ALA MB . . 7.500 3.746 3.746 3.746 . 0 0 "[ ]" 1
82 1 6 VAL MG1 1 73 LEU MD2 . . 6.000 3.335 3.335 3.335 . 0 0 "[ ]" 1
83 1 6 VAL MG2 1 7 ASP H . . 6.000 4.367 4.367 4.367 . 0 0 "[ ]" 1
84 1 6 VAL MG2 1 9 LEU H . . 6.000 4.658 4.658 4.658 . 0 0 "[ ]" 1
85 1 6 VAL MG2 1 10 LYS HA . . 7.500 4.039 4.039 4.039 . 0 0 "[ ]" 1
86 1 6 VAL MG2 1 10 LYS HD3 . . 7.500 4.360 4.360 4.360 . 0 0 "[ ]" 1
87 1 6 VAL MG2 1 25 LEU HB3 . . 5.000 2.632 2.632 2.632 . 0 0 "[ ]" 1
88 1 6 VAL MG2 1 70 ARG HB2 . . 7.500 4.899 4.899 4.899 . 0 0 "[ ]" 1
89 1 6 VAL MG2 1 73 LEU MD2 . . 5.000 1.915 1.915 1.915 . 0 0 "[ ]" 1
90 1 7 ASP H 1 7 ASP HB2 . . 3.500 2.074 2.074 2.074 . 0 0 "[ ]" 1
91 1 7 ASP H 1 7 ASP QB . . 3.500 2.041 2.041 2.041 . 0 0 "[ ]" 1
92 1 7 ASP H 1 7 ASP HB3 . . 3.500 3.038 3.038 3.038 . 0 0 "[ ]" 1
93 1 7 ASP H 1 8 ASP H . . 2.900 2.552 2.552 2.552 . 0 0 "[ ]" 1
94 1 7 ASP HA 1 9 LEU MD1 . . 7.500 5.978 5.978 5.978 . 0 0 "[ ]" 1
95 1 7 ASP HA 1 10 LYS H . . 4.200 3.508 3.508 3.508 . 0 0 "[ ]" 1
96 1 7 ASP HA 1 10 LYS HB2 . . 4.200 3.787 3.787 3.787 . 0 0 "[ ]" 1
97 1 7 ASP HA 1 10 LYS QB . . 3.500 2.601 2.601 2.601 . 0 0 "[ ]" 1
98 1 7 ASP HA 1 10 LYS HB3 . . 3.500 2.650 2.650 2.650 . 0 0 "[ ]" 1
99 1 7 ASP HA 1 10 LYS HD2 . . 6.000 5.403 5.403 5.403 . 0 0 "[ ]" 1
100 1 7 ASP HA 1 10 LYS QD . . 6.000 3.667 3.667 3.667 . 0 0 "[ ]" 1
101 1 7 ASP HA 1 10 LYS HD3 . . 6.000 3.730 3.730 3.730 . 0 0 "[ ]" 1
102 1 7 ASP HA 1 10 LYS QE . . 6.000 3.927 3.927 3.927 . 0 0 "[ ]" 1
103 1 7 ASP HA 1 10 LYS HG3 . . 6.000 5.535 5.535 5.535 . 0 0 "[ ]" 1
104 1 7 ASP QB 1 8 ASP H . . 4.200 2.328 2.328 2.328 . 0 0 "[ ]" 1
105 1 8 ASP H 1 8 ASP HB2 . . 3.500 2.027 2.027 2.027 . 0 0 "[ ]" 1
106 1 8 ASP H 1 8 ASP HB3 . . 3.500 3.297 3.297 3.297 . 0 0 "[ ]" 1
107 1 8 ASP H 1 9 LEU H . . 2.900 2.496 2.496 2.496 . 0 0 "[ ]" 1
108 1 8 ASP H 1 9 LEU HB2 . . 6.000 4.752 4.752 4.752 . 0 0 "[ ]" 1
109 1 8 ASP HA 1 8 ASP HB3 . . 2.900 2.840 2.840 2.840 . 0 0 "[ ]" 1
110 1 8 ASP HA 1 9 LEU H . . 4.200 3.548 3.548 3.548 . 0 0 "[ ]" 1
111 1 8 ASP HA 1 11 LYS H . . 4.200 3.802 3.802 3.802 . 0 0 "[ ]" 1
112 1 8 ASP HA 1 11 LYS QB . . 4.200 3.456 3.456 3.456 . 0 0 "[ ]" 1
113 1 8 ASP HA 1 11 LYS QD . . 6.000 2.821 2.821 2.821 . 0 0 "[ ]" 1
114 1 8 ASP HA 1 11 LYS QG . . 6.000 2.924 2.924 2.924 . 0 0 "[ ]" 1
115 1 8 ASP HB2 1 9 LEU H . . 3.500 3.207 3.207 3.207 . 0 0 "[ ]" 1
116 1 8 ASP HB3 1 9 LEU H . . 3.500 3.366 3.366 3.366 . 0 0 "[ ]" 1
117 1 9 LEU H 1 9 LEU HB2 . . 3.500 2.568 2.568 2.568 . 0 0 "[ ]" 1
118 1 9 LEU H 1 9 LEU HB3 . . 2.900 2.413 2.413 2.413 . 0 0 "[ ]" 1
119 1 9 LEU H 1 9 LEU HG . . 5.000 4.585 4.585 4.585 . 0 0 "[ ]" 1
120 1 9 LEU H 1 10 LYS H . . 2.900 2.445 2.445 2.445 . 0 0 "[ ]" 1
121 1 9 LEU H 1 11 LYS H . . 5.000 4.197 4.197 4.197 . 0 0 "[ ]" 1
122 1 9 LEU H 1 73 LEU MD1 . . 7.500 6.074 6.074 6.074 . 0 0 "[ ]" 1
123 1 9 LEU HA 1 9 LEU MD1 . . 4.200 3.188 3.188 3.188 . 0 0 "[ ]" 1
124 1 9 LEU HA 1 9 LEU HG . . 4.200 3.698 3.698 3.698 . 0 0 "[ ]" 1
125 1 9 LEU HA 1 10 LYS H . . 5.000 3.610 3.610 3.610 . 0 0 "[ ]" 1
126 1 9 LEU HA 1 12 LEU HB2 . . 5.000 2.546 2.546 2.546 . 0 0 "[ ]" 1
127 1 9 LEU HB2 1 10 LYS H . . 5.000 3.922 3.922 3.922 . 0 0 "[ ]" 1
128 1 9 LEU HB2 1 13 LEU QD . . 7.500 4.925 4.925 4.925 . 0 0 "[ ]" 1
129 1 9 LEU HB2 1 73 LEU QD . . 7.500 4.260 4.260 4.260 . 0 0 "[ ]" 1
130 1 9 LEU HB3 1 10 LYS H . . 5.000 2.653 2.653 2.653 . 0 0 "[ ]" 1
131 1 9 LEU HB3 1 13 LEU QD . . 7.500 3.941 3.941 3.941 . 0 0 "[ ]" 1
132 1 9 LEU HB3 1 73 LEU QD . . 7.500 3.769 3.769 3.769 . 0 0 "[ ]" 1
133 1 9 LEU QD 1 38 TYR HE1 . . 15.000 7.333 7.333 7.333 . 0 0 "[ ]" 1
134 1 9 LEU QD 1 38 TYR HE2 . . 15.000 4.891 4.891 4.891 . 0 0 "[ ]" 1
135 1 9 LEU MD1 1 10 LYS QD . . 7.500 5.495 5.495 5.495 . 0 0 "[ ]" 1
136 1 9 LEU MD1 1 12 LEU H . . 7.500 4.239 4.239 4.239 . 0 0 "[ ]" 1
137 1 9 LEU MD1 1 13 LEU H . . 5.000 3.326 3.326 3.326 . 0 0 "[ ]" 1
138 1 9 LEU MD2 1 10 LYS H . . 6.000 4.402 4.402 4.402 . 0 0 "[ ]" 1
139 1 9 LEU MD2 1 33 PHE HD2 . . 12.000 8.690 8.690 8.690 . 0 0 "[ ]" 1
140 1 9 LEU MD2 1 43 LEU MD1 . . 7.500 4.598 4.598 4.598 . 0 0 "[ ]" 1
141 1 9 LEU HG 1 10 LYS H . . 5.000 4.932 4.932 4.932 . 0 0 "[ ]" 1
142 1 9 LEU HG 1 46 THR MG . . 7.500 5.585 5.585 5.585 . 0 0 "[ ]" 1
143 1 10 LYS H 1 10 LYS HB2 . . 3.500 2.648 2.648 2.648 . 0 0 "[ ]" 1
144 1 10 LYS H 1 10 LYS QB . . 2.900 2.158 2.158 2.158 . 0 0 "[ ]" 1
145 1 10 LYS H 1 10 LYS HB3 . . 3.500 2.286 2.286 2.286 . 0 0 "[ ]" 1
146 1 10 LYS H 1 10 LYS QD . . 6.000 4.383 4.383 4.383 . 0 0 "[ ]" 1
147 1 10 LYS H 1 11 LYS H . . 2.900 2.912 2.912 2.912 0.012 1 0 "[ ]" 1
148 1 10 LYS H 1 25 LEU MD1 . . 6.500 5.287 5.287 5.287 . 0 0 "[ ]" 1
149 1 10 LYS H 1 25 LEU MD2 . . 6.000 3.729 3.729 3.729 . 0 0 "[ ]" 1
150 1 10 LYS HA 1 10 LYS HG2 . . 4.200 3.299 3.299 3.299 . 0 0 "[ ]" 1
151 1 10 LYS HA 1 10 LYS HG3 . . 4.200 2.679 2.679 2.679 . 0 0 "[ ]" 1
152 1 10 LYS HA 1 11 LYS H . . 4.200 3.634 3.634 3.634 . 0 0 "[ ]" 1
153 1 10 LYS HA 1 12 LEU H . . 4.200 4.114 4.114 4.114 . 0 0 "[ ]" 1
154 1 10 LYS HA 1 13 LEU H . . 3.500 3.030 3.030 3.030 . 0 0 "[ ]" 1
155 1 10 LYS HA 1 13 LEU QB . . 3.500 2.168 2.168 2.168 . 0 0 "[ ]" 1
156 1 10 LYS HA 1 13 LEU QD . . 6.000 2.316 2.316 2.316 . 0 0 "[ ]" 1
157 1 10 LYS QB 1 11 LYS H . . 4.200 2.558 2.558 2.558 . 0 0 "[ ]" 1
158 1 10 LYS QB 1 25 LEU H . . 6.000 4.181 4.181 4.181 . 0 0 "[ ]" 1
159 1 10 LYS QB 1 25 LEU MD1 . . 7.500 3.194 3.194 3.194 . 0 0 "[ ]" 1
160 1 10 LYS QB 1 25 LEU MD2 . . 6.000 2.103 2.103 2.103 . 0 0 "[ ]" 1
161 1 10 LYS HB2 1 13 LEU MD1 . . 6.000 3.693 3.693 3.693 . 0 0 "[ ]" 1
162 1 10 LYS HB2 1 25 LEU HB2 . . 5.000 2.772 2.772 2.772 . 0 0 "[ ]" 1
163 1 10 LYS HB2 1 25 LEU MD1 . . 7.500 3.291 3.291 3.291 . 0 0 "[ ]" 1
164 1 10 LYS HB3 1 25 LEU H . . 6.000 5.236 5.236 5.236 . 0 0 "[ ]" 1
165 1 10 LYS QD 1 11 LYS H . . 6.000 4.576 4.576 4.576 . 0 0 "[ ]" 1
166 1 10 LYS HD2 1 11 LYS H . . 6.000 5.600 5.600 5.600 . 0 0 "[ ]" 1
167 1 10 LYS HD2 1 25 LEU H . . 6.000 1.941 1.941 1.941 . 0 0 "[ ]" 1
168 1 10 LYS HD2 1 25 LEU MD2 . . 5.500 3.674 3.674 3.674 . 0 0 "[ ]" 1
169 1 10 LYS HD2 1 26 ALA H . . 6.000 3.844 3.844 3.844 . 0 0 "[ ]" 1
170 1 10 LYS HD3 1 11 LYS H . . 6.000 4.854 4.854 4.854 . 0 0 "[ ]" 1
171 1 10 LYS HD3 1 25 LEU H . . 6.000 2.878 2.878 2.878 . 0 0 "[ ]" 1
172 1 10 LYS HD3 1 26 ALA H . . 6.000 3.584 3.584 3.584 . 0 0 "[ ]" 1
173 1 10 LYS QE 1 25 LEU MD2 . . 7.500 4.722 4.722 4.722 . 0 0 "[ ]" 1
174 1 10 LYS QG 1 11 LYS H . . 6.000 3.020 3.020 3.020 . 0 0 "[ ]" 1
175 1 10 LYS QG 1 25 LEU H . . 5.000 3.668 3.668 3.668 . 0 0 "[ ]" 1
176 1 10 LYS HG3 1 11 LYS HA . . 6.000 4.576 4.576 4.576 . 0 0 "[ ]" 1
177 1 11 LYS H 1 11 LYS QB . . 2.900 2.080 2.080 2.080 . 0 0 "[ ]" 1
178 1 11 LYS H 1 11 LYS QD . . 6.000 3.990 3.990 3.990 . 0 0 "[ ]" 1
179 1 11 LYS H 1 11 LYS HG2 . . 4.200 2.919 2.919 2.919 . 0 0 "[ ]" 1
180 1 11 LYS H 1 11 LYS QG . . 4.200 2.844 2.844 2.844 . 0 0 "[ ]" 1
181 1 11 LYS H 1 11 LYS HG3 . . 4.200 3.930 3.930 3.930 . 0 0 "[ ]" 1
182 1 11 LYS H 1 12 LEU H . . 2.900 2.752 2.752 2.752 . 0 0 "[ ]" 1
183 1 11 LYS H 1 25 LEU MD2 . . 7.500 5.126 5.126 5.126 . 0 0 "[ ]" 1
184 1 11 LYS HA 1 11 LYS HG2 . . 4.200 3.806 3.806 3.806 . 0 0 "[ ]" 1
185 1 11 LYS HA 1 11 LYS HG3 . . 3.500 3.490 3.490 3.490 . 0 0 "[ ]" 1
186 1 11 LYS HA 1 12 LEU H . . 4.200 3.573 3.573 3.573 . 0 0 "[ ]" 1
187 1 11 LYS HA 1 13 LEU H . . 4.200 4.121 4.121 4.121 . 0 0 "[ ]" 1
188 1 11 LYS HA 1 14 ALA H . . 3.500 3.421 3.421 3.421 . 0 0 "[ ]" 1
189 1 11 LYS HA 1 14 ALA MB . . 4.200 2.997 2.997 2.997 . 0 0 "[ ]" 1
190 1 11 LYS QB 1 12 LEU H . . 4.200 3.507 3.507 3.507 . 0 0 "[ ]" 1
191 1 11 LYS QB 1 14 ALA MB . . 7.500 4.283 4.283 4.283 . 0 0 "[ ]" 1
192 1 11 LYS QD 1 12 LEU H . . 6.000 4.255 4.255 4.255 . 0 0 "[ ]" 1
193 1 11 LYS QG 1 12 LEU H . . 6.000 2.299 2.299 2.299 . 0 0 "[ ]" 1
194 1 11 LYS QG 1 13 LEU H . . 6.000 4.334 4.334 4.334 . 0 0 "[ ]" 1
195 1 11 LYS HG2 1 14 ALA H . . 6.000 5.945 5.945 5.945 . 0 0 "[ ]" 1
196 1 11 LYS HG3 1 14 ALA H . . 6.000 5.558 5.558 5.558 . 0 0 "[ ]" 1
197 1 12 LEU H 1 12 LEU HB2 . . 2.900 2.067 2.067 2.067 . 0 0 "[ ]" 1
198 1 12 LEU H 1 12 LEU QB . . 2.900 2.032 2.032 2.032 . 0 0 "[ ]" 1
199 1 12 LEU H 1 12 LEU HB3 . . 3.500 2.996 2.996 2.996 . 0 0 "[ ]" 1
200 1 12 LEU H 1 12 LEU HG . . 5.000 3.945 3.945 3.945 . 0 0 "[ ]" 1
201 1 12 LEU H 1 13 LEU H . . 2.900 2.452 2.452 2.452 . 0 0 "[ ]" 1
202 1 12 LEU H 1 13 LEU QD . . 7.500 4.815 4.815 4.815 . 0 0 "[ ]" 1
203 1 12 LEU HA 1 12 LEU MD2 . . 3.500 2.464 2.464 2.464 . 0 0 "[ ]" 1
204 1 12 LEU HA 1 12 LEU HG . . 4.200 2.343 2.343 2.343 . 0 0 "[ ]" 1
205 1 12 LEU HA 1 13 LEU H . . 3.500 3.546 3.546 3.546 0.046 1 0 "[ ]" 1
206 1 12 LEU HA 1 13 LEU MD2 . . 7.500 6.048 6.048 6.048 . 0 0 "[ ]" 1
207 1 12 LEU HA 1 15 GLU HB2 . . 3.500 2.917 2.917 2.917 . 0 0 "[ ]" 1
208 1 12 LEU HA 1 15 GLU HB3 . . 4.200 3.234 3.234 3.234 . 0 0 "[ ]" 1
209 1 12 LEU HA 1 15 GLU HG3 . . 6.000 4.946 4.946 4.946 . 0 0 "[ ]" 1
210 1 12 LEU HB2 1 13 LEU H . . 4.200 3.596 3.596 3.596 . 0 0 "[ ]" 1
211 1 12 LEU HB3 1 13 LEU H . . 4.200 3.176 3.176 3.176 . 0 0 "[ ]" 1
212 1 12 LEU HB3 1 13 LEU MD1 . . 7.500 5.187 5.187 5.187 . 0 0 "[ ]" 1
213 1 12 LEU QD 1 13 LEU H . . 6.500 4.059 4.059 4.059 . 0 0 "[ ]" 1
214 1 12 LEU QD 1 16 THR MG . . 7.500 3.968 3.968 3.968 . 0 0 "[ ]" 1
215 1 12 LEU QD 1 33 PHE QB . . 15.000 9.844 9.844 9.844 . 0 0 "[ ]" 1
216 1 12 LEU QD 1 38 TYR QB . . 15.000 8.782 8.782 8.782 . 0 0 "[ ]" 1
217 1 12 LEU QD 1 38 TYR QE . . 15.000 6.191 6.191 6.191 . 0 0 "[ ]" 1
218 1 13 LEU H 1 13 LEU HB2 . . 2.900 2.115 2.115 2.115 . 0 0 "[ ]" 1
219 1 13 LEU H 1 13 LEU QB . . 3.500 2.096 2.096 2.096 . 0 0 "[ ]" 1
220 1 13 LEU H 1 13 LEU HB3 . . 3.500 3.425 3.425 3.425 . 0 0 "[ ]" 1
221 1 13 LEU H 1 13 LEU MD1 . . 5.000 3.640 3.640 3.640 . 0 0 "[ ]" 1
222 1 13 LEU H 1 13 LEU QD . . 5.000 3.362 3.362 3.362 . 0 0 "[ ]" 1
223 1 13 LEU H 1 13 LEU MD2 . . 5.000 3.952 3.952 3.952 . 0 0 "[ ]" 1
224 1 13 LEU H 1 13 LEU HG . . 4.200 2.955 2.955 2.955 . 0 0 "[ ]" 1
225 1 13 LEU H 1 14 ALA H . . 2.900 2.633 2.633 2.633 . 0 0 "[ ]" 1
226 1 13 LEU HA 1 13 LEU QD . . 4.200 1.954 1.954 1.954 . 0 0 "[ ]" 1
227 1 13 LEU HA 1 13 LEU HG . . 3.500 2.656 2.656 2.656 . 0 0 "[ ]" 1
228 1 13 LEU HA 1 14 ALA H . . 4.200 3.619 3.619 3.619 . 0 0 "[ ]" 1
229 1 13 LEU HA 1 16 THR H . . 5.000 3.802 3.802 3.802 . 0 0 "[ ]" 1
230 1 13 LEU HA 1 16 THR HB . . 4.200 3.031 3.031 3.031 . 0 0 "[ ]" 1
231 1 13 LEU HA 1 16 THR MG . . 6.000 3.760 3.760 3.760 . 0 0 "[ ]" 1
232 1 13 LEU HA 1 46 THR MG . . 6.000 3.356 3.356 3.356 . 0 0 "[ ]" 1
233 1 13 LEU QB 1 14 ALA H . . 3.500 2.643 2.643 2.643 . 0 0 "[ ]" 1
234 1 13 LEU QB 1 38 TYR HE1 . . 15.000 4.364 4.364 4.364 . 0 0 "[ ]" 1
235 1 13 LEU HB2 1 14 ALA H . . 3.500 2.793 2.793 2.793 . 0 0 "[ ]" 1
236 1 13 LEU HB3 1 14 ALA H . . 4.200 3.262 3.262 3.262 . 0 0 "[ ]" 1
237 1 13 LEU QD 1 14 ALA H . . 7.500 4.141 4.141 4.141 . 0 0 "[ ]" 1
238 1 13 LEU QD 1 25 LEU QD . . 7.500 1.907 1.907 1.907 . 0 0 "[ ]" 1
239 1 13 LEU QD 1 33 PHE HD1 . . 15.000 3.775 3.775 3.775 . 0 0 "[ ]" 1
240 1 13 LEU QD 1 33 PHE HD2 . . 15.000 5.105 5.105 5.105 . 0 0 "[ ]" 1
241 1 13 LEU QD 1 38 TYR HD1 . . 15.000 5.061 5.061 5.061 . 0 0 "[ ]" 1
242 1 13 LEU QD 1 38 TYR HE1 . . 15.000 4.699 4.699 4.699 . 0 0 "[ ]" 1
243 1 13 LEU QD 1 42 ALA MB . . 7.500 3.794 3.794 3.794 . 0 0 "[ ]" 1
244 1 13 LEU QD 1 43 LEU QD . . 6.000 2.281 2.281 2.281 . 0 0 "[ ]" 1
245 1 13 LEU QD 1 46 THR MG . . 6.000 2.227 2.227 2.227 . 0 0 "[ ]" 1
246 1 13 LEU MD1 1 38 TYR HE1 . . 15.000 5.392 5.392 5.392 . 0 0 "[ ]" 1
247 1 13 LEU MD1 1 43 LEU MD1 . . 7.500 3.879 3.879 3.879 . 0 0 "[ ]" 1
248 1 13 LEU MD1 1 43 LEU MD2 . . 7.500 4.096 4.096 4.096 . 0 0 "[ ]" 1
249 1 13 LEU MD2 1 38 TYR HB2 . . 15.000 4.981 4.981 4.981 . 0 0 "[ ]" 1
250 1 13 LEU MD2 1 38 TYR HE1 . . 15.000 5.172 5.172 5.172 . 0 0 "[ ]" 1
251 1 13 LEU MD2 1 43 LEU MD1 . . 7.500 2.540 2.540 2.540 . 0 0 "[ ]" 1
252 1 13 LEU MD2 1 43 LEU MD2 . . 7.500 2.653 2.653 2.653 . 0 0 "[ ]" 1
253 1 13 LEU HG 1 14 ALA H . . 6.000 4.828 4.828 4.828 . 0 0 "[ ]" 1
254 1 13 LEU HG 1 46 THR MG . . 7.500 3.412 3.412 3.412 . 0 0 "[ ]" 1
255 1 14 ALA H 1 14 ALA MB . . 2.900 2.065 2.065 2.065 . 0 0 "[ ]" 1
256 1 14 ALA HA 1 15 GLU H . . 4.200 3.642 3.642 3.642 . 0 0 "[ ]" 1
257 1 14 ALA HA 1 17 ALA H . . 3.500 3.525 3.525 3.525 0.025 1 0 "[ ]" 1
258 1 14 ALA HA 1 17 ALA MB . . 4.200 2.530 2.530 2.530 . 0 0 "[ ]" 1
259 1 14 ALA HA 1 38 TYR HE1 . . 15.000 4.107 4.107 4.107 . 0 0 "[ ]" 1
260 1 14 ALA MB 1 15 GLU H . . 5.000 2.096 2.096 2.096 . 0 0 "[ ]" 1
261 1 14 ALA MB 1 15 GLU HB2 . . 6.000 3.824 3.824 3.824 . 0 0 "[ ]" 1
262 1 15 GLU H 1 15 GLU HB2 . . 3.500 2.067 2.067 2.067 . 0 0 "[ ]" 1
263 1 15 GLU H 1 15 GLU QB . . 3.500 2.043 2.043 2.043 . 0 0 "[ ]" 1
264 1 15 GLU H 1 15 GLU HB3 . . 3.500 3.189 3.189 3.189 . 0 0 "[ ]" 1
265 1 15 GLU H 1 15 GLU HG2 . . 5.000 4.090 4.090 4.090 . 0 0 "[ ]" 1
266 1 15 GLU H 1 15 GLU QG . . 5.000 3.464 3.464 3.464 . 0 0 "[ ]" 1
267 1 15 GLU H 1 15 GLU HG3 . . 5.000 3.740 3.740 3.740 . 0 0 "[ ]" 1
268 1 15 GLU HA 1 15 GLU HG2 . . 3.500 2.137 2.137 2.137 . 0 0 "[ ]" 1
269 1 15 GLU HA 1 15 GLU QG . . 2.900 2.081 2.081 2.081 . 0 0 "[ ]" 1
270 1 15 GLU HA 1 15 GLU HG3 . . 3.500 2.868 2.868 2.868 . 0 0 "[ ]" 1
271 1 15 GLU HA 1 16 THR H . . 4.200 3.611 3.611 3.611 . 0 0 "[ ]" 1
272 1 15 GLU HA 1 17 ALA H . . 6.000 5.336 5.336 5.336 . 0 0 "[ ]" 1
273 1 15 GLU HA 1 38 TYR HD2 . . 15.000 10.715 10.715 10.715 . 0 0 "[ ]" 1
274 1 15 GLU QB 1 16 THR H . . 4.200 2.653 2.653 2.653 . 0 0 "[ ]" 1
275 1 15 GLU QB 1 33 PHE HD1 . . 15.000 11.673 11.673 11.673 . 0 0 "[ ]" 1
276 1 15 GLU HB2 1 16 THR H . . 4.200 3.414 3.414 3.414 . 0 0 "[ ]" 1
277 1 15 GLU HB3 1 16 THR H . . 4.200 2.765 2.765 2.765 . 0 0 "[ ]" 1
278 1 15 GLU QG 1 16 THR H . . 6.000 4.411 4.411 4.411 . 0 0 "[ ]" 1
279 1 16 THR H 1 16 THR HB . . 2.900 2.082 2.082 2.082 . 0 0 "[ ]" 1
280 1 16 THR H 1 16 THR MG . . 4.200 3.562 3.562 3.562 . 0 0 "[ ]" 1
281 1 16 THR H 1 17 ALA H . . 2.900 2.668 2.668 2.668 . 0 0 "[ ]" 1
282 1 16 THR HA 1 17 ALA H . . 4.200 3.633 3.633 3.633 . 0 0 "[ ]" 1
283 1 16 THR HB 1 17 ALA H . . 5.000 2.566 2.566 2.566 . 0 0 "[ ]" 1
284 1 16 THR HB 1 33 PHE H . . 15.000 13.349 13.349 13.349 . 0 0 "[ ]" 1
285 1 16 THR MG 1 17 ALA H . . 7.500 2.624 2.624 2.624 . 0 0 "[ ]" 1
286 1 16 THR MG 1 33 PHE HD2 . . 15.000 9.448 9.448 9.448 . 0 0 "[ ]" 1
287 1 16 THR MG 1 42 ALA MB . . 5.000 3.208 3.208 3.208 . 0 0 "[ ]" 1
288 1 16 THR MG 1 45 GLU HB2 . . 6.000 2.691 2.691 2.691 . 0 0 "[ ]" 1
289 1 16 THR MG 1 45 GLU QB . . 6.000 1.816 1.816 1.816 . 0 0 "[ ]" 1
290 1 16 THR MG 1 45 GLU HB3 . . 6.000 1.847 1.847 1.847 . 0 0 "[ ]" 1
291 1 16 THR MG 1 45 GLU HG2 . . 7.500 4.168 4.168 4.168 . 0 0 "[ ]" 1
292 1 16 THR MG 1 45 GLU HG3 . . 7.500 3.894 3.894 3.894 . 0 0 "[ ]" 1
293 1 16 THR MG 1 46 THR H . . 3.500 1.979 1.979 1.979 . 0 0 "[ ]" 1
294 1 16 THR MG 1 46 THR HA . . 5.000 2.705 2.705 2.705 . 0 0 "[ ]" 1
295 1 16 THR MG 1 46 THR MG . . 5.000 3.046 3.046 3.046 . 0 0 "[ ]" 1
296 1 17 ALA H 1 17 ALA MB . . 3.500 2.141 2.141 2.141 . 0 0 "[ ]" 1
297 1 17 ALA H 1 18 GLY H . . 5.000 3.095 3.095 3.095 . 0 0 "[ ]" 1
298 1 17 ALA HA 1 18 GLY H . . 5.000 3.628 3.628 3.628 . 0 0 "[ ]" 1
299 1 17 ALA HA 1 33 PHE HD1 . . 15.000 8.612 8.612 8.612 . 0 0 "[ ]" 1
300 1 17 ALA HA 1 46 THR H . . 6.000 6.027 6.027 6.027 0.027 1 0 "[ ]" 1
301 1 17 ALA HA 1 46 THR MG . . 7.500 5.972 5.972 5.972 . 0 0 "[ ]" 1
302 1 17 ALA MB 1 18 GLY H . . 5.000 1.907 1.907 1.907 . 0 0 "[ ]" 1
303 1 17 ALA MB 1 19 GLU H . . 7.500 3.352 3.352 3.352 . 0 0 "[ ]" 1
304 1 17 ALA MB 1 19 GLU QG . . 7.500 2.804 2.804 2.804 . 0 0 "[ ]" 1
305 1 17 ALA MB 1 38 TYR HD1 . . 15.000 3.840 3.840 3.840 . 0 0 "[ ]" 1
306 1 17 ALA MB 1 38 TYR HE1 . . 15.000 2.982 2.982 2.982 . 0 0 "[ ]" 1
307 1 18 GLY H 1 19 GLU H . . 4.200 2.221 2.221 2.221 . 0 0 "[ ]" 1
308 1 18 GLY HA2 1 19 GLU H . . 3.500 2.672 2.672 2.672 . 0 0 "[ ]" 1
309 1 18 GLY HA3 1 19 GLU H . . 4.200 3.644 3.644 3.644 . 0 0 "[ ]" 1
310 1 19 GLU H 1 19 GLU HB2 . . 3.500 2.534 2.534 2.534 . 0 0 "[ ]" 1
311 1 19 GLU H 1 19 GLU HB3 . . 4.200 3.687 3.687 3.687 . 0 0 "[ ]" 1
312 1 19 GLU H 1 19 GLU QG . . 3.500 3.149 3.149 3.149 . 0 0 "[ ]" 1
313 1 19 GLU H 1 20 ASP H . . 3.500 3.509 3.509 3.509 0.009 1 0 "[ ]" 1
314 1 19 GLU HA 1 20 ASP H . . 3.500 2.448 2.448 2.448 . 0 0 "[ ]" 1
315 1 19 GLU HB2 1 20 ASP H . . 5.000 4.605 4.605 4.605 . 0 0 "[ ]" 1
316 1 19 GLU HB3 1 20 ASP H . . 5.000 4.310 4.310 4.310 . 0 0 "[ ]" 1
317 1 19 GLU QG 1 20 ASP H . . 6.000 4.402 4.402 4.402 . 0 0 "[ ]" 1
318 1 19 GLU QG 1 21 ASP H . . 6.000 5.281 5.281 5.281 . 0 0 "[ ]" 1
319 1 20 ASP H 1 20 ASP HB2 . . 4.200 3.590 3.590 3.590 . 0 0 "[ ]" 1
320 1 20 ASP H 1 20 ASP HB3 . . 4.200 3.035 3.035 3.035 . 0 0 "[ ]" 1
321 1 20 ASP H 1 21 ASP H . . 5.000 3.463 3.463 3.463 . 0 0 "[ ]" 1
322 1 20 ASP H 1 22 SER H . . 5.000 5.013 5.013 5.013 0.013 1 0 "[ ]" 1
323 1 20 ASP QB 1 21 ASP H . . 5.000 4.030 4.030 4.030 . 0 0 "[ ]" 1
324 1 20 ASP HB2 1 21 ASP H . . 5.000 4.381 4.381 4.381 . 0 0 "[ ]" 1
325 1 20 ASP HB2 1 23 VAL MG1 . . 7.500 4.988 4.988 4.988 . 0 0 "[ ]" 1
326 1 20 ASP HB3 1 21 ASP H . . 5.000 4.708 4.708 4.708 . 0 0 "[ ]" 1
327 1 20 ASP HB3 1 23 VAL MG1 . . 7.500 4.540 4.540 4.540 . 0 0 "[ ]" 1
328 1 21 ASP H 1 23 VAL H . . 5.000 3.065 3.065 3.065 . 0 0 "[ ]" 1
329 1 21 ASP HA 1 22 SER H . . 4.200 3.631 3.631 3.631 . 0 0 "[ ]" 1
330 1 21 ASP HB2 1 22 SER H . . 4.200 2.540 2.540 2.540 . 0 0 "[ ]" 1
331 1 21 ASP HB2 1 23 VAL MG1 . . 7.500 5.336 5.336 5.336 . 0 0 "[ ]" 1
332 1 21 ASP HB3 1 22 SER H . . 5.000 3.290 3.290 3.290 . 0 0 "[ ]" 1
333 1 22 SER H 1 22 SER HB2 . . 4.200 3.010 3.010 3.010 . 0 0 "[ ]" 1
334 1 22 SER H 1 22 SER HB3 . . 4.200 3.435 3.435 3.435 . 0 0 "[ ]" 1
335 1 22 SER H 1 23 VAL H . . 5.000 2.590 2.590 2.590 . 0 0 "[ ]" 1
336 1 22 SER H 1 23 VAL HB . . 6.000 3.637 3.637 3.637 . 0 0 "[ ]" 1
337 1 22 SER H 1 23 VAL QG . . 6.000 3.526 3.526 3.526 . 0 0 "[ ]" 1
338 1 22 SER H 1 24 ASP H . . 5.000 5.011 5.011 5.011 0.011 1 0 "[ ]" 1
339 1 22 SER HA 1 23 VAL H . . 4.200 2.656 2.656 2.656 . 0 0 "[ ]" 1
340 1 22 SER HA 1 24 ASP HB3 . . 6.000 6.064 6.064 6.064 0.064 1 0 "[ ]" 1
341 1 22 SER QB 1 23 VAL H . . 5.000 4.008 4.008 4.008 . 0 0 "[ ]" 1
342 1 23 VAL H 1 23 VAL HB . . 3.500 2.765 2.765 2.765 . 0 0 "[ ]" 1
343 1 23 VAL H 1 24 ASP H . . 6.000 3.399 3.399 3.399 . 0 0 "[ ]" 1
344 1 23 VAL HA 1 24 ASP H . . 3.500 2.647 2.647 2.647 . 0 0 "[ ]" 1
345 1 23 VAL HA 1 24 ASP HB3 . . 6.000 5.724 5.724 5.724 . 0 0 "[ ]" 1
346 1 23 VAL HB 1 24 ASP H . . 5.000 4.687 4.687 4.687 . 0 0 "[ ]" 1
347 1 23 VAL QG 1 24 ASP H . . 6.000 3.617 3.617 3.617 . 0 0 "[ ]" 1
348 1 23 VAL QG 1 24 ASP HA . . 7.500 3.621 3.621 3.621 . 0 0 "[ ]" 1
349 1 23 VAL MG1 1 38 TYR HE1 . . 20.000 4.892 4.892 4.892 . 0 0 "[ ]" 1
350 1 23 VAL MG2 1 38 TYR HE1 . . 20.000 2.933 2.933 2.933 . 0 0 "[ ]" 1
351 1 24 ASP H 1 24 ASP HB2 . . 3.500 2.066 2.066 2.066 . 0 0 "[ ]" 1
352 1 24 ASP H 1 24 ASP HB3 . . 3.500 3.265 3.265 3.265 . 0 0 "[ ]" 1
353 1 24 ASP H 1 25 LEU H . . 6.000 4.143 4.143 4.143 . 0 0 "[ ]" 1
354 1 24 ASP HA 1 25 LEU H . . 5.000 2.336 2.336 2.336 . 0 0 "[ ]" 1
355 1 24 ASP HA 1 26 ALA H . . 6.000 3.640 3.640 3.640 . 0 0 "[ ]" 1
356 1 24 ASP QB 1 26 ALA H . . 6.000 4.104 4.104 4.104 . 0 0 "[ ]" 1
357 1 24 ASP HB2 1 25 LEU H . . 5.000 4.700 4.700 4.700 . 0 0 "[ ]" 1
358 1 24 ASP HB3 1 25 LEU H . . 4.200 4.124 4.124 4.124 . 0 0 "[ ]" 1
359 1 24 ASP HB3 1 27 GLY H . . 6.000 2.769 2.769 2.769 . 0 0 "[ ]" 1
360 1 25 LEU H 1 25 LEU HB2 . . 2.900 2.134 2.134 2.134 . 0 0 "[ ]" 1
361 1 25 LEU H 1 25 LEU HB3 . . 4.200 3.439 3.439 3.439 . 0 0 "[ ]" 1
362 1 25 LEU H 1 25 LEU MD2 . . 5.000 3.958 3.958 3.958 . 0 0 "[ ]" 1
363 1 25 LEU H 1 25 LEU HG . . 4.200 3.922 3.922 3.922 . 0 0 "[ ]" 1
364 1 25 LEU H 1 26 ALA H . . 3.500 2.559 2.559 2.559 . 0 0 "[ ]" 1
365 1 25 LEU H 1 26 ALA MB . . 6.000 4.028 4.028 4.028 . 0 0 "[ ]" 1
366 1 25 LEU HA 1 25 LEU HG . . 4.200 2.391 2.391 2.391 . 0 0 "[ ]" 1
367 1 25 LEU HA 1 26 ALA H . . 4.200 3.597 3.597 3.597 . 0 0 "[ ]" 1
368 1 25 LEU HA 1 27 GLY HA2 . . 6.000 5.826 5.826 5.826 . 0 0 "[ ]" 1
369 1 25 LEU HA 1 28 GLU H . . 6.000 3.623 3.623 3.623 . 0 0 "[ ]" 1
370 1 25 LEU HA 1 28 GLU HB2 . . 4.200 3.287 3.287 3.287 . 0 0 "[ ]" 1
371 1 25 LEU HA 1 28 GLU QB . . 4.200 3.042 3.042 3.042 . 0 0 "[ ]" 1
372 1 25 LEU HA 1 28 GLU HB3 . . 4.200 3.589 3.589 3.589 . 0 0 "[ ]" 1
373 1 25 LEU HA 1 28 GLU QG . . 6.000 5.182 5.182 5.182 . 0 0 "[ ]" 1
374 1 25 LEU HB2 1 25 LEU MD2 . . 3.500 2.398 2.398 2.398 . 0 0 "[ ]" 1
375 1 25 LEU HB2 1 26 ALA H . . 3.500 2.905 2.905 2.905 . 0 0 "[ ]" 1
376 1 25 LEU HB2 1 29 LEU MD2 . . 6.000 3.633 3.633 3.633 . 0 0 "[ ]" 1
377 1 25 LEU MD1 1 26 ALA H . . 6.000 4.113 4.113 4.113 . 0 0 "[ ]" 1
378 1 25 LEU MD2 1 26 ALA H . . 6.000 4.797 4.797 4.797 . 0 0 "[ ]" 1
379 1 25 LEU MD2 1 27 GLY H . . 7.500 6.231 6.231 6.231 . 0 0 "[ ]" 1
380 1 25 LEU MD2 1 33 PHE HD1 . . 15.000 5.265 5.265 5.265 . 0 0 "[ ]" 1
381 1 25 LEU MD2 1 38 TYR HE1 . . 15.000 5.958 5.958 5.958 . 0 0 "[ ]" 1
382 1 25 LEU MD2 1 69 PRO QB . . 7.500 2.085 2.085 2.085 . 0 0 "[ ]" 1
383 1 25 LEU MD2 1 69 PRO QG . . 7.500 2.935 2.935 2.935 . 0 0 "[ ]" 1
384 1 25 LEU MD2 1 70 ARG HA . . 7.500 5.464 5.464 5.464 . 0 0 "[ ]" 1
385 1 25 LEU HG 1 26 ALA H . . 6.000 5.173 5.173 5.173 . 0 0 "[ ]" 1
386 1 26 ALA H 1 26 ALA MB . . 3.500 1.948 1.948 1.948 . 0 0 "[ ]" 1
387 1 26 ALA H 1 27 GLY H . . 3.500 2.812 2.812 2.812 . 0 0 "[ ]" 1
388 1 26 ALA H 1 28 GLU HB2 . . 6.000 5.796 5.796 5.796 . 0 0 "[ ]" 1
389 1 26 ALA HA 1 27 GLY H . . 5.000 3.530 3.530 3.530 . 0 0 "[ ]" 1
390 1 26 ALA HA 1 28 GLU H . . 5.000 3.874 3.874 3.874 . 0 0 "[ ]" 1
391 1 26 ALA HA 1 29 LEU MD2 . . 6.000 3.346 3.346 3.346 . 0 0 "[ ]" 1
392 1 26 ALA HA 1 29 LEU HG . . 5.000 3.549 3.549 3.549 . 0 0 "[ ]" 1
393 1 26 ALA MB 1 27 GLY H . . 5.000 2.979 2.979 2.979 . 0 0 "[ ]" 1
394 1 27 GLY H 1 28 GLU H . . 2.900 2.866 2.866 2.866 . 0 0 "[ ]" 1
395 1 27 GLY HA3 1 28 GLU H . . 5.000 3.609 3.609 3.609 . 0 0 "[ ]" 1
396 1 28 GLU H 1 28 GLU HB2 . . 3.500 3.205 3.205 3.205 . 0 0 "[ ]" 1
397 1 28 GLU H 1 28 GLU QB . . 3.500 3.054 3.054 3.054 . 0 0 "[ ]" 1
398 1 28 GLU H 1 28 GLU HB3 . . 4.200 3.842 3.842 3.842 . 0 0 "[ ]" 1
399 1 28 GLU H 1 29 LEU H . . 4.200 3.035 3.035 3.035 . 0 0 "[ ]" 1
400 1 28 GLU QB 1 31 THR H . . 6.000 4.548 4.548 4.548 . 0 0 "[ ]" 1
401 1 28 GLU QB 1 36 LEU QD . . 7.500 1.977 1.977 1.977 . 0 0 "[ ]" 1
402 1 28 GLU HB2 1 29 LEU H . . 5.000 4.728 4.728 4.728 . 0 0 "[ ]" 1
403 1 28 GLU HB2 1 36 LEU MD1 . . 7.500 4.655 4.655 4.655 . 0 0 "[ ]" 1
404 1 28 GLU HB2 1 36 LEU MD2 . . 7.500 2.924 2.924 2.924 . 0 0 "[ ]" 1
405 1 28 GLU HB3 1 31 THR H . . 6.000 4.722 4.722 4.722 . 0 0 "[ ]" 1
406 1 28 GLU HB3 1 31 THR HB . . 6.000 3.318 3.318 3.318 . 0 0 "[ ]" 1
407 1 28 GLU HB3 1 31 THR MG . . 7.500 3.945 3.945 3.945 . 0 0 "[ ]" 1
408 1 28 GLU HB3 1 36 LEU MD1 . . 7.000 3.150 3.150 3.150 . 0 0 "[ ]" 1
409 1 28 GLU HB3 1 36 LEU MD2 . . 6.000 2.037 2.037 2.037 . 0 0 "[ ]" 1
410 1 28 GLU QG 1 31 THR MG . . 6.000 2.685 2.685 2.685 . 0 0 "[ ]" 1
411 1 29 LEU H 1 29 LEU HB2 . . 3.500 2.609 2.609 2.609 . 0 0 "[ ]" 1
412 1 29 LEU H 1 29 LEU MD1 . . 5.000 3.401 3.401 3.401 . 0 0 "[ ]" 1
413 1 29 LEU H 1 29 LEU HG . . 5.000 2.912 2.912 2.912 . 0 0 "[ ]" 1
414 1 29 LEU H 1 30 ASP H . . 3.500 2.189 2.189 2.189 . 0 0 "[ ]" 1
415 1 29 LEU HA 1 29 LEU MD2 . . 4.200 2.586 2.586 2.586 . 0 0 "[ ]" 1
416 1 29 LEU HA 1 29 LEU HG . . 4.200 2.788 2.788 2.788 . 0 0 "[ ]" 1
417 1 29 LEU HA 1 30 ASP H . . 5.000 3.636 3.636 3.636 . 0 0 "[ ]" 1
418 1 29 LEU HA 1 31 THR H . . 5.000 4.106 4.106 4.106 . 0 0 "[ ]" 1
419 1 29 LEU HA 1 31 THR MG . . 7.500 5.737 5.737 5.737 . 0 0 "[ ]" 1
420 1 29 LEU HA 1 68 THR HB . . 5.000 4.867 4.867 4.867 . 0 0 "[ ]" 1
421 1 29 LEU HA 1 69 PRO HG2 . . 3.500 2.048 2.048 2.048 . 0 0 "[ ]" 1
422 1 29 LEU HA 1 70 ARG QG . . 6.000 4.175 4.175 4.175 . 0 0 "[ ]" 1
423 1 29 LEU HB2 1 30 ASP H . . 4.200 2.356 2.356 2.356 . 0 0 "[ ]" 1
424 1 29 LEU HB2 1 69 PRO HG2 . . 5.000 4.570 4.570 4.570 . 0 0 "[ ]" 1
425 1 29 LEU HB3 1 30 ASP H . . 4.200 3.498 3.498 3.498 . 0 0 "[ ]" 1
426 1 29 LEU HB3 1 70 ARG H . . 3.500 3.334 3.334 3.334 . 0 0 "[ ]" 1
427 1 29 LEU HB3 1 70 ARG HB2 . . 6.000 4.166 4.166 4.166 . 0 0 "[ ]" 1
428 1 29 LEU HB3 1 70 ARG QB . . 6.000 2.473 2.473 2.473 . 0 0 "[ ]" 1
429 1 29 LEU HB3 1 70 ARG HB3 . . 6.000 2.491 2.491 2.491 . 0 0 "[ ]" 1
430 1 29 LEU MD1 1 30 ASP H . . 7.500 3.871 3.871 3.871 . 0 0 "[ ]" 1
431 1 29 LEU MD1 1 31 THR H . . 7.500 5.825 5.825 5.825 . 0 0 "[ ]" 1
432 1 29 LEU MD1 1 38 TYR HE2 . . 15.000 11.691 11.691 11.691 . 0 0 "[ ]" 1
433 1 29 LEU MD1 1 70 ARG H . . 7.500 5.253 5.253 5.253 . 0 0 "[ ]" 1
434 1 29 LEU MD2 1 30 ASP H . . 7.500 4.786 4.786 4.786 . 0 0 "[ ]" 1
435 1 29 LEU MD2 1 68 THR HB . . 7.500 5.530 5.530 5.530 . 0 0 "[ ]" 1
436 1 29 LEU MD2 1 69 PRO QB . . 5.000 3.039 3.039 3.039 . 0 0 "[ ]" 1
437 1 29 LEU MD2 1 69 PRO HG2 . . 5.000 2.497 2.497 2.497 . 0 0 "[ ]" 1
438 1 29 LEU MD2 1 70 ARG H . . 5.000 3.163 3.163 3.163 . 0 0 "[ ]" 1
439 1 30 ASP H 1 30 ASP HB2 . . 3.500 2.016 2.016 2.016 . 0 0 "[ ]" 1
440 1 30 ASP H 1 30 ASP QB . . 3.500 1.994 1.994 1.994 . 0 0 "[ ]" 1
441 1 30 ASP H 1 31 THR H . . 2.900 2.777 2.777 2.777 . 0 0 "[ ]" 1
442 1 30 ASP H 1 68 THR MG . . 7.500 5.546 5.546 5.546 . 0 0 "[ ]" 1
443 1 30 ASP HA 1 31 THR H . . 4.200 3.588 3.588 3.588 . 0 0 "[ ]" 1
444 1 30 ASP HA 1 68 THR MG . . 7.500 3.585 3.585 3.585 . 0 0 "[ ]" 1
445 1 30 ASP QB 1 31 THR H . . 4.200 2.751 2.751 2.751 . 0 0 "[ ]" 1
446 1 30 ASP HB2 1 31 THR H . . 4.200 3.358 3.358 3.358 . 0 0 "[ ]" 1
447 1 30 ASP HB3 1 31 THR H . . 4.200 2.921 2.921 2.921 . 0 0 "[ ]" 1
448 1 30 ASP HB3 1 38 TYR HB3 . . 15.000 14.062 14.062 14.062 . 0 0 "[ ]" 1
449 1 30 ASP HB3 1 68 THR MG . . 7.500 5.250 5.250 5.250 . 0 0 "[ ]" 1
450 1 31 THR H 1 31 THR HB . . 3.500 2.230 2.230 2.230 . 0 0 "[ ]" 1
451 1 31 THR H 1 31 THR MG . . 4.200 3.660 3.660 3.660 . 0 0 "[ ]" 1
452 1 31 THR HA 1 32 PRO HD2 . . 5.000 2.345 2.345 2.345 . 0 0 "[ ]" 1
453 1 31 THR HA 1 32 PRO HD3 . . 5.000 1.894 1.894 1.894 . 0 0 "[ ]" 1
454 1 31 THR HB 1 36 LEU MD2 . . 5.000 3.510 3.510 3.510 . 0 0 "[ ]" 1
455 1 31 THR MG 1 32 PRO HD2 . . 6.000 2.267 2.267 2.267 . 0 0 "[ ]" 1
456 1 31 THR MG 1 32 PRO HD3 . . 6.000 3.350 3.350 3.350 . 0 0 "[ ]" 1
457 1 31 THR MG 1 35 ASP H . . 7.500 3.710 3.710 3.710 . 0 0 "[ ]" 1
458 1 31 THR MG 1 35 ASP HB2 . . 7.500 2.588 2.588 2.588 . 0 0 "[ ]" 1
459 1 31 THR MG 1 35 ASP QB . . 7.500 1.788 1.788 1.788 . 0 0 "[ ]" 1
460 1 31 THR MG 1 35 ASP HB3 . . 7.000 1.822 1.822 1.822 . 0 0 "[ ]" 1
461 1 31 THR MG 1 36 LEU H . . 6.000 2.754 2.754 2.754 . 0 0 "[ ]" 1
462 1 31 THR MG 1 36 LEU HB2 . . 7.500 3.979 3.979 3.979 . 0 0 "[ ]" 1
463 1 31 THR MG 1 36 LEU MD2 . . 6.000 2.973 2.973 2.973 . 0 0 "[ ]" 1
464 1 31 THR MG 1 69 PRO HD3 . . 7.500 5.191 5.191 5.191 . 0 0 "[ ]" 1
465 1 32 PRO HA 1 33 PHE H . . 3.500 2.215 2.215 2.215 . 0 0 "[ ]" 1
466 1 32 PRO HA 1 68 THR H . . 5.000 4.647 4.647 4.647 . 0 0 "[ ]" 1
467 1 32 PRO HA 1 68 THR MG . . 7.500 2.120 2.120 2.120 . 0 0 "[ ]" 1
468 1 32 PRO QB 1 33 PHE H . . 5.000 3.139 3.139 3.139 . 0 0 "[ ]" 1
469 1 32 PRO QB 1 34 VAL HA . . 6.000 5.062 5.062 5.062 . 0 0 "[ ]" 1
470 1 32 PRO QB 1 34 VAL QG . . 6.000 1.925 1.925 1.925 . 0 0 "[ ]" 1
471 1 32 PRO QB 1 35 ASP H . . 5.000 2.975 2.975 2.975 . 0 0 "[ ]" 1
472 1 32 PRO QB 1 36 LEU QD . . 7.500 4.312 4.312 4.312 . 0 0 "[ ]" 1
473 1 32 PRO QB 1 68 THR MG . . 6.000 2.429 2.429 2.429 . 0 0 "[ ]" 1
474 1 32 PRO HB2 1 34 VAL H . . 5.000 2.950 2.950 2.950 . 0 0 "[ ]" 1
475 1 32 PRO HB2 1 34 VAL HA . . 6.000 5.206 5.206 5.206 . 0 0 "[ ]" 1
476 1 32 PRO HB2 1 34 VAL QG . . 5.000 1.937 1.937 1.937 . 0 0 "[ ]" 1
477 1 32 PRO HB2 1 35 ASP H . . 5.000 3.015 3.015 3.015 . 0 0 "[ ]" 1
478 1 32 PRO HB2 1 68 THR MG . . 7.500 3.771 3.771 3.771 . 0 0 "[ ]" 1
479 1 32 PRO HB3 1 34 VAL H . . 5.000 4.449 4.449 4.449 . 0 0 "[ ]" 1
480 1 32 PRO HB3 1 34 VAL QG . . 6.500 3.345 3.345 3.345 . 0 0 "[ ]" 1
481 1 32 PRO HB3 1 35 ASP H . . 5.000 4.560 4.560 4.560 . 0 0 "[ ]" 1
482 1 32 PRO HB3 1 68 THR HA . . 4.200 4.164 4.164 4.164 . 0 0 "[ ]" 1
483 1 32 PRO QD 1 33 PHE H . . 6.000 5.033 5.033 5.033 . 0 0 "[ ]" 1
484 1 32 PRO QD 1 35 ASP QB . . 6.000 1.938 1.938 1.938 . 0 0 "[ ]" 1
485 1 32 PRO HD2 1 35 ASP HB3 . . 6.000 2.831 2.831 2.831 . 0 0 "[ ]" 1
486 1 32 PRO HD2 1 68 THR MG . . 7.500 4.741 4.741 4.741 . 0 0 "[ ]" 1
487 1 32 PRO HD3 1 68 THR MG . . 6.000 3.808 3.808 3.808 . 0 0 "[ ]" 1
488 1 32 PRO QG 1 33 PHE H . . 6.000 4.775 4.775 4.775 . 0 0 "[ ]" 1
489 1 32 PRO QG 1 34 VAL H . . 6.000 4.450 4.450 4.450 . 0 0 "[ ]" 1
490 1 32 PRO QG 1 34 VAL QG . . 6.500 2.534 2.534 2.534 . 0 0 "[ ]" 1
491 1 32 PRO QG 1 35 ASP H . . 6.000 3.069 3.069 3.069 . 0 0 "[ ]" 1
492 1 32 PRO QG 1 35 ASP HA . . 6.000 4.201 4.201 4.201 . 0 0 "[ ]" 1
493 1 32 PRO QG 1 35 ASP QB . . 6.000 2.255 2.255 2.255 . 0 0 "[ ]" 1
494 1 32 PRO HG2 1 34 VAL QG . . 7.200 2.588 2.588 2.588 . 0 0 "[ ]" 1
495 1 32 PRO HG2 1 35 ASP HB2 . . 6.000 2.288 2.288 2.288 . 0 0 "[ ]" 1
496 1 32 PRO HG2 1 35 ASP HB3 . . 6.000 3.995 3.995 3.995 . 0 0 "[ ]" 1
497 1 32 PRO HG2 1 36 LEU H . . 6.000 5.133 5.133 5.133 . 0 0 "[ ]" 1
498 1 32 PRO HG3 1 33 PHE H . . 6.000 5.587 5.587 5.587 . 0 0 "[ ]" 1
499 1 32 PRO HG3 1 34 VAL H . . 6.000 5.686 5.686 5.686 . 0 0 "[ ]" 1
500 1 32 PRO HG3 1 34 VAL QG . . 7.200 3.615 3.615 3.615 . 0 0 "[ ]" 1
501 1 32 PRO HG3 1 35 ASP H . . 5.000 4.683 4.683 4.683 . 0 0 "[ ]" 1
502 1 32 PRO HG3 1 35 ASP HA . . 6.000 6.018 6.018 6.018 0.018 1 0 "[ ]" 1
503 1 32 PRO HG3 1 35 ASP HB2 . . 6.000 3.793 3.793 3.793 . 0 0 "[ ]" 1
504 1 32 PRO HG3 1 35 ASP HB3 . . 6.000 5.336 5.336 5.336 . 0 0 "[ ]" 1
505 1 33 PHE H 1 33 PHE HB2 . . 4.200 2.383 2.383 2.383 . 0 0 "[ ]" 1
506 1 33 PHE H 1 33 PHE QB . . 3.500 2.345 2.345 2.345 . 0 0 "[ ]" 1
507 1 33 PHE H 1 33 PHE HB3 . . 4.200 3.485 3.485 3.485 . 0 0 "[ ]" 1
508 1 33 PHE H 1 33 PHE HD1 . . 5.000 4.134 4.134 4.134 . 0 0 "[ ]" 1
509 1 33 PHE H 1 34 VAL H . . 3.500 3.017 3.017 3.017 . 0 0 "[ ]" 1
510 1 33 PHE H 1 34 VAL QG . . 7.500 3.943 3.943 3.943 . 0 0 "[ ]" 1
511 1 33 PHE H 1 35 ASP H . . 6.000 4.151 4.151 4.151 . 0 0 "[ ]" 1
512 1 33 PHE H 1 42 ALA H . . 15.000 10.614 10.614 10.614 . 0 0 "[ ]" 1
513 1 33 PHE H 1 43 LEU QD . . 15.000 4.780 4.780 4.780 . 0 0 "[ ]" 1
514 1 33 PHE H 1 45 GLU H . . 15.000 12.597 12.597 12.597 . 0 0 "[ ]" 1
515 1 33 PHE H 1 68 THR HA . . 15.000 2.780 2.780 2.780 . 0 0 "[ ]" 1
516 1 33 PHE H 1 68 THR MG . . 15.000 3.708 3.708 3.708 . 0 0 "[ ]" 1
517 1 33 PHE HA 1 33 PHE HD1 . . 4.500 2.595 2.595 2.595 . 0 0 "[ ]" 1
518 1 33 PHE HA 1 35 ASP H . . 5.000 3.968 3.968 3.968 . 0 0 "[ ]" 1
519 1 33 PHE HA 1 36 LEU HB2 . . 6.000 2.643 2.643 2.643 . 0 0 "[ ]" 1
520 1 33 PHE HA 1 36 LEU QB . . 6.000 2.621 2.621 2.621 . 0 0 "[ ]" 1
521 1 33 PHE HA 1 36 LEU HB3 . . 6.000 4.339 4.339 4.339 . 0 0 "[ ]" 1
522 1 33 PHE HA 1 36 LEU QD . . 7.500 2.021 2.021 2.021 . 0 0 "[ ]" 1
523 1 33 PHE HA 1 70 ARG QB . . 12.000 9.774 9.774 9.774 . 0 0 "[ ]" 1
524 1 33 PHE HA 1 73 LEU HA . . 15.000 13.610 13.610 13.610 . 0 0 "[ ]" 1
525 1 33 PHE QB 1 34 VAL H . . 4.200 2.311 2.311 2.311 . 0 0 "[ ]" 1
526 1 33 PHE QB 1 34 VAL HB . . 7.000 3.985 3.985 3.985 . 0 0 "[ ]" 1
527 1 33 PHE QB 1 34 VAL QG . . 8.500 3.772 3.772 3.772 . 0 0 "[ ]" 1
528 1 33 PHE QB 1 38 TYR QB . . 6.000 2.141 2.141 2.141 . 0 0 "[ ]" 1
529 1 33 PHE QB 1 43 LEU QD . . 15.000 3.018 3.018 3.018 . 0 0 "[ ]" 1
530 1 33 PHE QB 1 44 LEU QD . . 15.000 6.853 6.853 6.853 . 0 0 "[ ]" 1
531 1 33 PHE QB 1 68 THR MG . . 15.000 5.266 5.266 5.266 . 0 0 "[ ]" 1
532 1 33 PHE QB 1 72 LEU QB . . 15.000 6.844 6.844 6.844 . 0 0 "[ ]" 1
533 1 33 PHE QB 1 72 LEU QD . . 15.000 5.434 5.434 5.434 . 0 0 "[ ]" 1
534 1 33 PHE QB 1 74 ASP QB . . 15.000 11.121 11.121 11.121 . 0 0 "[ ]" 1
535 1 33 PHE HB2 1 34 VAL H . . 4.200 2.359 2.359 2.359 . 0 0 "[ ]" 1
536 1 33 PHE HB2 1 38 TYR HB2 . . 4.200 4.102 4.102 4.102 . 0 0 "[ ]" 1
537 1 33 PHE HB2 1 38 TYR HB3 . . 5.000 4.014 4.014 4.014 . 0 0 "[ ]" 1
538 1 33 PHE HB2 1 41 LEU HG . . 15.000 11.583 11.583 11.583 . 0 0 "[ ]" 1
539 1 33 PHE HB2 1 43 LEU MD1 . . 15.000 5.358 5.358 5.358 . 0 0 "[ ]" 1
540 1 33 PHE HB2 1 43 LEU MD2 . . 15.000 3.647 3.647 3.647 . 0 0 "[ ]" 1
541 1 33 PHE HB3 1 34 VAL H . . 4.200 3.311 3.311 3.311 . 0 0 "[ ]" 1
542 1 33 PHE HB3 1 38 TYR HB2 . . 6.000 2.418 2.418 2.418 . 0 0 "[ ]" 1
543 1 33 PHE HB3 1 38 TYR HB3 . . 6.000 2.424 2.424 2.424 . 0 0 "[ ]" 1
544 1 33 PHE HB3 1 43 LEU MD1 . . 15.000 5.448 5.448 5.448 . 0 0 "[ ]" 1
545 1 33 PHE HB3 1 43 LEU MD2 . . 15.000 3.270 3.270 3.270 . 0 0 "[ ]" 1
546 1 33 PHE HD1 1 36 LEU QD . . 10.000 3.250 3.250 3.250 . 0 0 "[ ]" 1
547 1 33 PHE HD1 1 38 TYR QB . . 6.000 1.945 1.945 1.945 . 0 0 "[ ]" 1
548 1 33 PHE HD1 1 43 LEU MD1 . . 15.000 5.191 5.191 5.191 . 0 0 "[ ]" 1
549 1 33 PHE HD1 1 43 LEU MD2 . . 15.000 3.426 3.426 3.426 . 0 0 "[ ]" 1
550 1 33 PHE HD1 1 46 THR MG . . 15.000 6.844 6.844 6.844 . 0 0 "[ ]" 1
551 1 33 PHE HD1 1 67 GLY QA . . 15.000 6.444 6.444 6.444 . 0 0 "[ ]" 1
552 1 33 PHE HD1 1 68 THR H . . 15.000 7.491 7.491 7.491 . 0 0 "[ ]" 1
553 1 33 PHE HD1 1 68 THR HA . . 15.000 5.596 5.596 5.596 . 0 0 "[ ]" 1
554 1 33 PHE HD1 1 69 PRO QD . . 15.000 4.801 4.801 4.801 . 0 0 "[ ]" 1
555 1 33 PHE HD2 1 43 LEU QD . . 15.000 3.166 3.166 3.166 . 0 0 "[ ]" 1
556 1 33 PHE HD2 1 65 ARG HE . . 15.000 12.967 12.967 12.967 . 0 0 "[ ]" 1
557 1 33 PHE HD2 1 66 LEU QB . . 15.000 5.446 5.446 5.446 . 0 0 "[ ]" 1
558 1 33 PHE HD2 1 69 PRO HA . . 15.000 4.895 4.895 4.895 . 0 0 "[ ]" 1
559 1 33 PHE HD2 1 69 PRO QG . . 15.000 5.620 5.620 5.620 . 0 0 "[ ]" 1
560 1 33 PHE HD2 1 72 LEU H . . 15.000 6.631 6.631 6.631 . 0 0 "[ ]" 1
561 1 33 PHE HD2 1 72 LEU HB2 . . 15.000 5.766 5.766 5.766 . 0 0 "[ ]" 1
562 1 33 PHE HD2 1 72 LEU QB . . 15.000 5.545 5.545 5.545 . 0 0 "[ ]" 1
563 1 33 PHE HD2 1 72 LEU HB3 . . 15.000 7.198 7.198 7.198 . 0 0 "[ ]" 1
564 1 33 PHE HD2 1 72 LEU MD1 . . 15.000 6.370 6.370 6.370 . 0 0 "[ ]" 1
565 1 33 PHE HD2 1 72 LEU MD2 . . 15.000 4.163 4.163 4.163 . 0 0 "[ ]" 1
566 1 34 VAL H 1 34 VAL HB . . 2.900 2.401 2.401 2.401 . 0 0 "[ ]" 1
567 1 34 VAL H 1 34 VAL QG . . 3.500 2.156 2.156 2.156 . 0 0 "[ ]" 1
568 1 34 VAL H 1 35 ASP H . . 4.200 2.794 2.794 2.794 . 0 0 "[ ]" 1
569 1 34 VAL H 1 36 LEU H . . 6.000 4.492 4.492 4.492 . 0 0 "[ ]" 1
570 1 34 VAL HA 1 35 ASP H . . 5.000 3.568 3.568 3.568 . 0 0 "[ ]" 1
571 1 34 VAL HA 1 36 LEU H . . 5.000 4.789 4.789 4.789 . 0 0 "[ ]" 1
572 1 34 VAL HB 1 35 ASP H . . 4.200 4.072 4.072 4.072 . 0 0 "[ ]" 1
573 1 34 VAL QG 1 35 ASP H . . 5.000 1.928 1.928 1.928 . 0 0 "[ ]" 1
574 1 34 VAL QG 1 35 ASP HA . . 6.500 3.252 3.252 3.252 . 0 0 "[ ]" 1
575 1 34 VAL QG 1 35 ASP QB . . 7.500 3.007 3.007 3.007 . 0 0 "[ ]" 1
576 1 34 VAL QG 1 36 LEU H . . 7.000 4.174 4.174 4.174 . 0 0 "[ ]" 1
577 1 35 ASP H 1 35 ASP HB2 . . 3.500 2.058 2.058 2.058 . 0 0 "[ ]" 1
578 1 35 ASP H 1 35 ASP HB3 . . 3.500 3.003 3.003 3.003 . 0 0 "[ ]" 1
579 1 35 ASP H 1 36 LEU H . . 3.500 2.644 2.644 2.644 . 0 0 "[ ]" 1
580 1 35 ASP H 1 37 GLY H . . 6.000 5.118 5.118 5.118 . 0 0 "[ ]" 1
581 1 35 ASP HA 1 36 LEU H . . 4.200 3.647 3.647 3.647 . 0 0 "[ ]" 1
582 1 35 ASP QB 1 36 LEU H . . 4.200 2.333 2.333 2.333 . 0 0 "[ ]" 1
583 1 35 ASP HB2 1 36 LEU H . . 4.200 3.146 3.146 3.146 . 0 0 "[ ]" 1
584 1 35 ASP HB3 1 36 LEU H . . 4.200 2.405 2.405 2.405 . 0 0 "[ ]" 1
585 1 36 LEU H 1 36 LEU HG . . 5.000 2.686 2.686 2.686 . 0 0 "[ ]" 1
586 1 36 LEU H 1 37 GLY H . . 3.500 3.328 3.328 3.328 . 0 0 "[ ]" 1
587 1 36 LEU HA 1 36 LEU HG . . 4.200 2.432 2.432 2.432 . 0 0 "[ ]" 1
588 1 36 LEU HA 1 37 GLY H . . 5.000 3.579 3.579 3.579 . 0 0 "[ ]" 1
589 1 36 LEU QB 1 38 TYR HD1 . . 15.000 4.053 4.053 4.053 . 0 0 "[ ]" 1
590 1 36 LEU HB2 1 37 GLY H . . 5.000 1.918 1.918 1.918 . 0 0 "[ ]" 1
591 1 36 LEU HB2 1 38 TYR HD1 . . 6.000 4.483 4.483 4.483 . 0 0 "[ ]" 1
592 1 36 LEU HB2 1 38 TYR HE1 . . 9.000 6.428 6.428 6.428 . 0 0 "[ ]" 1
593 1 36 LEU HB3 1 37 GLY H . . 5.000 2.677 2.677 2.677 . 0 0 "[ ]" 1
594 1 36 LEU HB3 1 38 TYR HD1 . . 15.000 4.623 4.623 4.623 . 0 0 "[ ]" 1
595 1 36 LEU HB3 1 38 TYR HE1 . . 15.000 6.166 6.166 6.166 . 0 0 "[ ]" 1
596 1 36 LEU QD 1 37 GLY H . . 7.500 3.426 3.426 3.426 . 0 0 "[ ]" 1
597 1 36 LEU QD 1 69 PRO QD . . 7.500 3.379 3.379 3.379 . 0 0 "[ ]" 1
598 1 36 LEU MD1 1 37 GLY H . . 7.500 3.642 3.642 3.642 . 0 0 "[ ]" 1
599 1 36 LEU MD1 1 69 PRO HD3 . . 7.500 3.552 3.552 3.552 . 0 0 "[ ]" 1
600 1 36 LEU MD2 1 37 GLY H . . 7.000 4.169 4.169 4.169 . 0 0 "[ ]" 1
601 1 36 LEU MD2 1 69 PRO HD2 . . 7.500 6.083 6.083 6.083 . 0 0 "[ ]" 1
602 1 36 LEU MD2 1 69 PRO HD3 . . 7.500 5.231 5.231 5.231 . 0 0 "[ ]" 1
603 1 36 LEU HG 1 37 GLY H . . 6.000 4.526 4.526 4.526 . 0 0 "[ ]" 1
604 1 37 GLY H 1 38 TYR H . . 2.900 1.987 1.987 1.987 . 0 0 "[ ]" 1
605 1 37 GLY HA2 1 38 TYR H . . 4.200 3.633 3.633 3.633 . 0 0 "[ ]" 1
606 1 37 GLY HA3 1 38 TYR H . . 4.200 2.817 2.817 2.817 . 0 0 "[ ]" 1
607 1 38 TYR H 1 38 TYR HB2 . . 3.500 2.148 2.148 2.148 . 0 0 "[ ]" 1
608 1 38 TYR H 1 38 TYR HB3 . . 4.200 3.436 3.436 3.436 . 0 0 "[ ]" 1
609 1 38 TYR H 1 38 TYR HD1 . . 5.000 2.004 2.004 2.004 . 0 0 "[ ]" 1
610 1 38 TYR H 1 39 ASP H . . 5.000 4.631 4.631 4.631 . 0 0 "[ ]" 1
611 1 38 TYR HA 1 39 ASP H . . 3.500 2.256 2.256 2.256 . 0 0 "[ ]" 1
612 1 38 TYR HA 1 42 ALA MB . . 15.000 3.457 3.457 3.457 . 0 0 "[ ]" 1
613 1 38 TYR QB 1 42 ALA MB . . 15.000 3.530 3.530 3.530 . 0 0 "[ ]" 1
614 1 38 TYR QB 1 43 LEU QD . . 15.000 2.641 2.641 2.641 . 0 0 "[ ]" 1
615 1 38 TYR QB 1 43 LEU HG . . 15.000 4.991 4.991 4.991 . 0 0 "[ ]" 1
616 1 38 TYR QB 1 45 GLU QG . . 15.000 9.030 9.030 9.030 . 0 0 "[ ]" 1
617 1 38 TYR QB 1 70 ARG QD . . 15.000 11.076 11.076 11.076 . 0 0 "[ ]" 1
618 1 38 TYR HB2 1 39 ASP H . . 5.000 4.376 4.376 4.376 . 0 0 "[ ]" 1
619 1 38 TYR HB2 1 43 LEU MD1 . . 15.000 6.095 6.095 6.095 . 0 0 "[ ]" 1
620 1 38 TYR HB2 1 43 LEU MD2 . . 15.000 3.879 3.879 3.879 . 0 0 "[ ]" 1
621 1 38 TYR HB3 1 39 ASP H . . 5.000 3.272 3.272 3.272 . 0 0 "[ ]" 1
622 1 38 TYR HB3 1 42 ALA MB . . 15.000 3.624 3.624 3.624 . 0 0 "[ ]" 1
623 1 38 TYR HB3 1 43 LEU MD1 . . 15.000 5.101 5.101 5.101 . 0 0 "[ ]" 1
624 1 38 TYR HB3 1 43 LEU MD2 . . 15.000 2.700 2.700 2.700 . 0 0 "[ ]" 1
625 1 38 TYR HD1 1 42 ALA MB . . 15.000 5.011 5.011 5.011 . 0 0 "[ ]" 1
626 1 38 TYR HD1 1 43 LEU QD . . 15.000 5.342 5.342 5.342 . 0 0 "[ ]" 1
627 1 38 TYR HD1 1 46 THR MG . . 15.000 8.015 8.015 8.015 . 0 0 "[ ]" 1
628 1 38 TYR HD2 1 70 ARG HE . . 15.000 12.926 12.926 12.926 . 0 0 "[ ]" 1
629 1 38 TYR HE1 1 44 LEU QD . . 15.000 10.913 10.913 10.913 . 0 0 "[ ]" 1
630 1 38 TYR HE1 1 63 VAL HA . . 20.000 15.069 15.069 15.069 . 0 0 "[ ]" 1
631 1 38 TYR HE2 1 70 ARG QB . . 15.000 11.571 11.571 11.571 . 0 0 "[ ]" 1
632 1 38 TYR HE2 1 70 ARG HD2 . . 15.000 15.030 15.030 15.030 0.030 1 0 "[ ]" 1
633 1 38 TYR HE2 1 70 ARG QD . . 15.000 13.093 13.093 13.093 . 0 0 "[ ]" 1
634 1 38 TYR HE2 1 70 ARG HD3 . . 15.000 14.408 14.408 14.408 . 0 0 "[ ]" 1
635 1 38 TYR HE2 1 70 ARG HE . . 15.000 13.964 13.964 13.964 . 0 0 "[ ]" 1
636 1 38 TYR HE2 1 70 ARG QG . . 15.000 11.125 11.125 11.125 . 0 0 "[ ]" 1
637 1 39 ASP HA 1 40 SER H . . 3.500 2.447 2.447 2.447 . 0 0 "[ ]" 1
638 1 39 ASP HA 1 42 ALA MB . . 6.000 4.504 4.504 4.504 . 0 0 "[ ]" 1
639 1 39 ASP HB2 1 40 SER H . . 5.000 4.087 4.087 4.087 . 0 0 "[ ]" 1
640 1 39 ASP HB2 1 40 SER HA . . 6.000 5.653 5.653 5.653 . 0 0 "[ ]" 1
641 1 39 ASP HB2 1 41 LEU H . . 6.000 3.751 3.751 3.751 . 0 0 "[ ]" 1
642 1 39 ASP HB3 1 40 SER H . . 5.000 2.773 2.773 2.773 . 0 0 "[ ]" 1
643 1 39 ASP HB3 1 40 SER HA . . 6.000 4.671 4.671 4.671 . 0 0 "[ ]" 1
644 1 40 SER H 1 41 LEU H . . 4.200 2.885 2.885 2.885 . 0 0 "[ ]" 1
645 1 40 SER HA 1 43 LEU H . . 4.200 3.399 3.399 3.399 . 0 0 "[ ]" 1
646 1 40 SER HA 1 43 LEU HB2 . . 5.000 2.453 2.453 2.453 . 0 0 "[ ]" 1
647 1 40 SER HA 1 43 LEU QB . . 5.000 2.428 2.428 2.428 . 0 0 "[ ]" 1
648 1 40 SER HA 1 43 LEU HB3 . . 5.000 3.895 3.895 3.895 . 0 0 "[ ]" 1
649 1 40 SER HA 1 43 LEU QD . . 6.000 3.196 3.196 3.196 . 0 0 "[ ]" 1
650 1 40 SER HA 1 44 LEU H . . 4.200 4.194 4.194 4.194 . 0 0 "[ ]" 1
651 1 41 LEU H 1 41 LEU HB2 . . 3.500 2.404 2.404 2.404 . 0 0 "[ ]" 1
652 1 41 LEU H 1 41 LEU HB3 . . 3.500 2.466 2.466 2.466 . 0 0 "[ ]" 1
653 1 41 LEU H 1 41 LEU HG . . 5.000 4.411 4.411 4.411 . 0 0 "[ ]" 1
654 1 41 LEU H 1 42 ALA H . . 3.500 3.043 3.043 3.043 . 0 0 "[ ]" 1
655 1 41 LEU H 1 43 LEU H . . 4.200 4.194 4.194 4.194 . 0 0 "[ ]" 1
656 1 41 LEU HA 1 41 LEU MD1 . . 3.500 2.522 2.522 2.522 . 0 0 "[ ]" 1
657 1 41 LEU HA 1 41 LEU HG . . 3.500 2.916 2.916 2.916 . 0 0 "[ ]" 1
658 1 41 LEU HA 1 44 LEU H . . 3.500 3.294 3.294 3.294 . 0 0 "[ ]" 1
659 1 41 LEU HA 1 44 LEU QB . . 4.200 2.405 2.405 2.405 . 0 0 "[ ]" 1
660 1 41 LEU HA 1 44 LEU QD . . 7.500 3.023 3.023 3.023 . 0 0 "[ ]" 1
661 1 41 LEU HA 1 44 LEU HG . . 6.000 3.866 3.866 3.866 . 0 0 "[ ]" 1
662 1 41 LEU HB2 1 42 ALA H . . 5.000 3.756 3.756 3.756 . 0 0 "[ ]" 1
663 1 41 LEU HB3 1 42 ALA H . . 5.000 2.294 2.294 2.294 . 0 0 "[ ]" 1
664 1 41 LEU MD1 1 42 ALA H . . 7.500 4.529 4.529 4.529 . 0 0 "[ ]" 1
665 1 41 LEU MD1 1 45 GLU HG2 . . 7.500 4.876 4.876 4.876 . 0 0 "[ ]" 1
666 1 41 LEU MD1 1 45 GLU QG . . 7.500 3.940 3.940 3.940 . 0 0 "[ ]" 1
667 1 41 LEU MD1 1 45 GLU HG3 . . 7.500 4.160 4.160 4.160 . 0 0 "[ ]" 1
668 1 41 LEU MD2 1 42 ALA H . . 7.500 3.582 3.582 3.582 . 0 0 "[ ]" 1
669 1 41 LEU HG 1 45 GLU HG2 . . 6.000 4.843 4.843 4.843 . 0 0 "[ ]" 1
670 1 41 LEU HG 1 45 GLU HG3 . . 6.000 3.464 3.464 3.464 . 0 0 "[ ]" 1
671 1 42 ALA H 1 42 ALA MB . . 2.900 1.972 1.972 1.972 . 0 0 "[ ]" 1
672 1 42 ALA H 1 43 LEU H . . 3.500 2.972 2.972 2.972 . 0 0 "[ ]" 1
673 1 42 ALA HA 1 43 LEU H . . 4.200 3.620 3.620 3.620 . 0 0 "[ ]" 1
674 1 42 ALA HA 1 43 LEU HA . . 5.000 4.806 4.806 4.806 . 0 0 "[ ]" 1
675 1 42 ALA HA 1 45 GLU H . . 3.500 3.396 3.396 3.396 . 0 0 "[ ]" 1
676 1 42 ALA HA 1 45 GLU HB2 . . 3.500 2.401 2.401 2.401 . 0 0 "[ ]" 1
677 1 42 ALA HA 1 45 GLU QB . . 5.000 2.376 2.376 2.376 . 0 0 "[ ]" 1
678 1 42 ALA HA 1 45 GLU HB3 . . 5.000 3.784 3.784 3.784 . 0 0 "[ ]" 1
679 1 42 ALA MB 1 43 LEU H . . 4.200 2.656 2.656 2.656 . 0 0 "[ ]" 1
680 1 42 ALA MB 1 43 LEU QD . . 7.500 2.836 2.836 2.836 . 0 0 "[ ]" 1
681 1 42 ALA MB 1 45 GLU H . . 6.000 4.440 4.440 4.440 . 0 0 "[ ]" 1
682 1 42 ALA MB 1 46 THR H . . 6.000 4.501 4.501 4.501 . 0 0 "[ ]" 1
683 1 43 LEU H 1 43 LEU HB2 . . 3.500 2.059 2.059 2.059 . 0 0 "[ ]" 1
684 1 43 LEU H 1 43 LEU HB3 . . 3.500 3.378 3.378 3.378 . 0 0 "[ ]" 1
685 1 43 LEU H 1 43 LEU MD2 . . 5.000 2.424 2.424 2.424 . 0 0 "[ ]" 1
686 1 43 LEU H 1 43 LEU HG . . 5.000 4.014 4.014 4.014 . 0 0 "[ ]" 1
687 1 43 LEU HA 1 43 LEU QD . . 4.200 1.903 1.903 1.903 . 0 0 "[ ]" 1
688 1 43 LEU HA 1 43 LEU HG . . 4.200 3.629 3.629 3.629 . 0 0 "[ ]" 1
689 1 43 LEU HA 1 45 GLU H . . 5.000 4.001 4.001 4.001 . 0 0 "[ ]" 1
690 1 43 LEU HA 1 46 THR H . . 3.500 3.513 3.513 3.513 0.013 1 0 "[ ]" 1
691 1 43 LEU HA 1 46 THR HB . . 4.200 4.170 4.170 4.170 . 0 0 "[ ]" 1
692 1 43 LEU HA 1 46 THR MG . . 7.500 1.958 1.958 1.958 . 0 0 "[ ]" 1
693 1 43 LEU HA 1 47 ALA H . . 4.200 3.889 3.889 3.889 . 0 0 "[ ]" 1
694 1 43 LEU QB 1 44 LEU H . . 3.500 2.559 2.559 2.559 . 0 0 "[ ]" 1
695 1 43 LEU QB 1 46 THR MG . . 7.500 3.764 3.764 3.764 . 0 0 "[ ]" 1
696 1 43 LEU QB 1 58 LEU QD . . 7.500 4.252 4.252 4.252 . 0 0 "[ ]" 1
697 1 43 LEU QB 1 63 VAL HA . . 6.000 5.147 5.147 5.147 . 0 0 "[ ]" 1
698 1 43 LEU HB2 1 44 LEU H . . 5.000 2.794 2.794 2.794 . 0 0 "[ ]" 1
699 1 43 LEU HB2 1 44 LEU MD2 . . 6.000 3.345 3.345 3.345 . 0 0 "[ ]" 1
700 1 43 LEU HB3 1 44 LEU H . . 3.500 2.970 2.970 2.970 . 0 0 "[ ]" 1
701 1 43 LEU QD 1 44 LEU H . . 6.500 3.976 3.976 3.976 . 0 0 "[ ]" 1
702 1 43 LEU QD 1 45 GLU H . . 7.500 4.761 4.761 4.761 . 0 0 "[ ]" 1
703 1 43 LEU QD 1 63 VAL MG1 . . 7.500 2.960 2.960 2.960 . 0 0 "[ ]" 1
704 1 43 LEU MD1 1 72 LEU HA . . 7.500 4.702 4.702 4.702 . 0 0 "[ ]" 1
705 1 43 LEU MD1 1 72 LEU MD1 . . 5.000 2.477 2.477 2.477 . 0 0 "[ ]" 1
706 1 43 LEU MD1 1 72 LEU MD2 . . 6.000 2.209 2.209 2.209 . 0 0 "[ ]" 1
707 1 43 LEU MD2 1 72 LEU MD1 . . 7.500 4.694 4.694 4.694 . 0 0 "[ ]" 1
708 1 43 LEU MD2 1 72 LEU MD2 . . 7.500 4.087 4.087 4.087 . 0 0 "[ ]" 1
709 1 43 LEU HG 1 44 LEU H . . 6.000 5.004 5.004 5.004 . 0 0 "[ ]" 1
710 1 44 LEU H 1 44 LEU HB2 . . 3.500 2.145 2.145 2.145 . 0 0 "[ ]" 1
711 1 44 LEU H 1 44 LEU HB3 . . 3.500 3.445 3.445 3.445 . 0 0 "[ ]" 1
712 1 44 LEU H 1 44 LEU HG . . 4.500 3.927 3.927 3.927 . 0 0 "[ ]" 1
713 1 44 LEU H 1 45 GLU H . . 2.900 2.793 2.793 2.793 . 0 0 "[ ]" 1
714 1 44 LEU H 1 46 THR H . . 5.000 4.898 4.898 4.898 . 0 0 "[ ]" 1
715 1 44 LEU H 1 63 VAL QG . . 7.500 3.687 3.687 3.687 . 0 0 "[ ]" 1
716 1 44 LEU HA 1 44 LEU MD1 . . 4.200 2.146 2.146 2.146 . 0 0 "[ ]" 1
717 1 44 LEU HA 1 44 LEU QD . . 4.200 2.026 2.026 2.026 . 0 0 "[ ]" 1
718 1 44 LEU HA 1 44 LEU MD2 . . 4.200 2.488 2.488 2.488 . 0 0 "[ ]" 1
719 1 44 LEU HA 1 44 LEU HG . . 4.200 3.638 3.638 3.638 . 0 0 "[ ]" 1
720 1 44 LEU HA 1 47 ALA H . . 3.500 3.498 3.498 3.498 . 0 0 "[ ]" 1
721 1 44 LEU HA 1 47 ALA MB . . 3.500 1.978 1.978 1.978 . 0 0 "[ ]" 1
722 1 44 LEU HA 1 63 VAL QG . . 7.500 3.617 3.617 3.617 . 0 0 "[ ]" 1
723 1 44 LEU QB 1 45 GLU H . . 4.200 2.910 2.910 2.910 . 0 0 "[ ]" 1
724 1 44 LEU HB2 1 45 GLU H . . 3.500 3.091 3.091 3.091 . 0 0 "[ ]" 1
725 1 44 LEU HB3 1 45 GLU H . . 4.200 3.549 3.549 3.549 . 0 0 "[ ]" 1
726 1 44 LEU QD 1 45 GLU H . . 7.500 4.017 4.017 4.017 . 0 0 "[ ]" 1
727 1 44 LEU QD 1 62 THR H . . 7.500 5.424 5.424 5.424 . 0 0 "[ ]" 1
728 1 45 GLU H 1 45 GLU HB2 . . 3.500 2.041 2.041 2.041 . 0 0 "[ ]" 1
729 1 45 GLU H 1 45 GLU HB3 . . 3.500 3.301 3.301 3.301 . 0 0 "[ ]" 1
730 1 45 GLU H 1 45 GLU HG2 . . 4.200 3.732 3.732 3.732 . 0 0 "[ ]" 1
731 1 45 GLU H 1 45 GLU QG . . 4.200 3.229 3.229 3.229 . 0 0 "[ ]" 1
732 1 45 GLU H 1 45 GLU HG3 . . 4.200 3.535 3.535 3.535 . 0 0 "[ ]" 1
733 1 45 GLU H 1 46 THR H . . 2.900 2.903 2.903 2.903 0.003 1 0 "[ ]" 1
734 1 45 GLU H 1 47 ALA H . . 4.200 3.551 3.551 3.551 . 0 0 "[ ]" 1
735 1 45 GLU HA 1 45 GLU HB2 . . 2.970 2.920 2.920 2.920 . 0 0 "[ ]" 1
736 1 45 GLU HA 1 45 GLU HB3 . . 2.970 2.838 2.838 2.838 . 0 0 "[ ]" 1
737 1 45 GLU HA 1 45 GLU HG2 . . 3.500 1.964 1.964 1.964 . 0 0 "[ ]" 1
738 1 45 GLU HA 1 45 GLU HG3 . . 3.500 3.163 3.163 3.163 . 0 0 "[ ]" 1
739 1 45 GLU HA 1 46 THR H . . 4.200 3.645 3.645 3.645 . 0 0 "[ ]" 1
740 1 45 GLU HA 1 48 ALA H . . 4.200 3.805 3.805 3.805 . 0 0 "[ ]" 1
741 1 45 GLU HA 1 48 ALA MB . . 5.000 3.574 3.574 3.574 . 0 0 "[ ]" 1
742 1 45 GLU HA 1 49 VAL QG . . 7.500 4.306 4.306 4.306 . 0 0 "[ ]" 1
743 1 45 GLU HB2 1 46 THR H . . 5.000 2.738 2.738 2.738 . 0 0 "[ ]" 1
744 1 45 GLU HB3 1 46 THR H . . 5.000 2.476 2.476 2.476 . 0 0 "[ ]" 1
745 1 45 GLU HG2 1 46 THR H . . 6.000 4.721 4.721 4.721 . 0 0 "[ ]" 1
746 1 45 GLU HG2 1 48 ALA MB . . 6.000 4.850 4.850 4.850 . 0 0 "[ ]" 1
747 1 45 GLU HG3 1 46 THR H . . 6.000 4.829 4.829 4.829 . 0 0 "[ ]" 1
748 1 46 THR H 1 46 THR HA . . 2.900 2.799 2.799 2.799 . 0 0 "[ ]" 1
749 1 46 THR H 1 46 THR HB . . 3.500 2.290 2.290 2.290 . 0 0 "[ ]" 1
750 1 46 THR H 1 46 THR MG . . 3.500 2.416 2.416 2.416 . 0 0 "[ ]" 1
751 1 46 THR H 1 47 ALA H . . 2.900 2.676 2.676 2.676 . 0 0 "[ ]" 1
752 1 46 THR H 1 47 ALA MB . . 6.000 4.187 4.187 4.187 . 0 0 "[ ]" 1
753 1 46 THR H 1 48 ALA H . . 5.000 4.739 4.739 4.739 . 0 0 "[ ]" 1
754 1 46 THR HA 1 47 ALA H . . 3.500 3.484 3.484 3.484 . 0 0 "[ ]" 1
755 1 46 THR HA 1 49 VAL H . . 3.500 3.256 3.256 3.256 . 0 0 "[ ]" 1
756 1 46 THR HA 1 49 VAL HB . . 3.500 2.251 2.251 2.251 . 0 0 "[ ]" 1
757 1 46 THR HB 1 47 ALA H . . 4.200 4.127 4.127 4.127 . 0 0 "[ ]" 1
758 1 46 THR MG 1 47 ALA H . . 3.500 2.492 2.492 2.492 . 0 0 "[ ]" 1
759 1 46 THR MG 1 47 ALA HA . . 6.000 3.029 3.029 3.029 . 0 0 "[ ]" 1
760 1 46 THR MG 1 47 ALA MB . . 6.000 3.333 3.333 3.333 . 0 0 "[ ]" 1
761 1 46 THR MG 1 48 ALA H . . 6.000 4.737 4.737 4.737 . 0 0 "[ ]" 1
762 1 46 THR MG 1 50 LEU HB2 . . 7.500 3.786 3.786 3.786 . 0 0 "[ ]" 1
763 1 46 THR MG 1 50 LEU HG . . 7.500 6.119 6.119 6.119 . 0 0 "[ ]" 1
764 1 47 ALA H 1 47 ALA MB . . 2.900 1.978 1.978 1.978 . 0 0 "[ ]" 1
765 1 47 ALA H 1 48 ALA H . . 2.900 2.800 2.800 2.800 . 0 0 "[ ]" 1
766 1 47 ALA HA 1 48 ALA H . . 4.200 3.636 3.636 3.636 . 0 0 "[ ]" 1
767 1 47 ALA HA 1 50 LEU H . . 3.500 3.469 3.469 3.469 . 0 0 "[ ]" 1
768 1 47 ALA HA 1 50 LEU HB2 . . 4.200 3.090 3.090 3.090 . 0 0 "[ ]" 1
769 1 47 ALA HA 1 50 LEU QB . . 4.200 2.574 2.574 2.574 . 0 0 "[ ]" 1
770 1 47 ALA HA 1 50 LEU HB3 . . 4.200 2.755 2.755 2.755 . 0 0 "[ ]" 1
771 1 47 ALA HA 1 50 LEU QD . . 6.000 2.904 2.904 2.904 . 0 0 "[ ]" 1
772 1 47 ALA HA 1 50 LEU HG . . 6.000 5.065 5.065 5.065 . 0 0 "[ ]" 1
773 1 47 ALA MB 1 48 ALA H . . 5.000 2.528 2.528 2.528 . 0 0 "[ ]" 1
774 1 47 ALA MB 1 63 VAL QG . . 7.500 2.802 2.802 2.802 . 0 0 "[ ]" 1
775 1 48 ALA H 1 48 ALA MB . . 2.900 1.938 1.938 1.938 . 0 0 "[ ]" 1
776 1 48 ALA H 1 49 VAL HA . . 6.000 5.286 5.286 5.286 . 0 0 "[ ]" 1
777 1 48 ALA H 1 49 VAL MG2 . . 6.000 4.144 4.144 4.144 . 0 0 "[ ]" 1
778 1 48 ALA H 1 50 LEU HB3 . . 6.000 5.033 5.033 5.033 . 0 0 "[ ]" 1
779 1 48 ALA H 1 50 LEU MD2 . . 7.500 5.935 5.935 5.935 . 0 0 "[ ]" 1
780 1 48 ALA HA 1 50 LEU HB2 . . 6.000 5.870 5.870 5.870 . 0 0 "[ ]" 1
781 1 48 ALA HA 1 51 GLN H . . 3.500 3.290 3.290 3.290 . 0 0 "[ ]" 1
782 1 48 ALA HA 1 51 GLN QB . . 4.200 3.911 3.911 3.911 . 0 0 "[ ]" 1
783 1 48 ALA HA 1 51 GLN HE21 . . 6.000 3.000 3.000 3.000 . 0 0 "[ ]" 1
784 1 48 ALA MB 1 49 VAL H . . 3.500 2.521 2.521 2.521 . 0 0 "[ ]" 1
785 1 48 ALA MB 1 49 VAL HB . . 6.000 4.534 4.534 4.534 . 0 0 "[ ]" 1
786 1 48 ALA MB 1 49 VAL MG1 . . 7.500 4.887 4.887 4.887 . 0 0 "[ ]" 1
787 1 48 ALA MB 1 49 VAL MG2 . . 7.500 2.950 2.950 2.950 . 0 0 "[ ]" 1
788 1 49 VAL H 1 49 VAL HB . . 3.500 2.424 2.424 2.424 . 0 0 "[ ]" 1
789 1 49 VAL H 1 49 VAL QG . . 4.200 1.963 1.963 1.963 . 0 0 "[ ]" 1
790 1 49 VAL H 1 49 VAL MG2 . . 3.500 1.971 1.971 1.971 . 0 0 "[ ]" 1
791 1 49 VAL H 1 50 LEU H . . 2.900 2.717 2.717 2.717 . 0 0 "[ ]" 1
792 1 49 VAL H 1 51 GLN H . . 5.000 4.532 4.532 4.532 . 0 0 "[ ]" 1
793 1 49 VAL HA 1 49 VAL MG2 . . 3.500 2.419 2.419 2.419 . 0 0 "[ ]" 1
794 1 49 VAL HA 1 50 LEU H . . 5.000 3.553 3.553 3.553 . 0 0 "[ ]" 1
795 1 49 VAL HA 1 52 GLN H . . 3.500 3.238 3.238 3.238 . 0 0 "[ ]" 1
796 1 49 VAL HA 1 52 GLN QB . . 3.500 1.973 1.973 1.973 . 0 0 "[ ]" 1
797 1 49 VAL HA 1 52 GLN HG2 . . 6.000 3.686 3.686 3.686 . 0 0 "[ ]" 1
798 1 49 VAL HA 1 52 GLN QG . . 6.000 2.125 2.125 2.125 . 0 0 "[ ]" 1
799 1 49 VAL HA 1 52 GLN HG3 . . 6.000 2.138 2.138 2.138 . 0 0 "[ ]" 1
800 1 49 VAL HA 1 53 ARG H . . 5.000 4.770 4.770 4.770 . 0 0 "[ ]" 1
801 1 49 VAL HB 1 50 LEU H . . 3.500 2.943 2.943 2.943 . 0 0 "[ ]" 1
802 1 49 VAL QG 1 50 LEU H . . 6.000 3.437 3.437 3.437 . 0 0 "[ ]" 1
803 1 49 VAL QG 1 50 LEU HA . . 6.700 3.713 3.713 3.713 . 0 0 "[ ]" 1
804 1 49 VAL QG 1 53 ARG H . . 7.000 4.589 4.589 4.589 . 0 0 "[ ]" 1
805 1 49 VAL QG 1 53 ARG QD . . 7.000 2.900 2.900 2.900 . 0 0 "[ ]" 1
806 1 49 VAL QG 1 53 ARG HE . . 7.500 4.905 4.905 4.905 . 0 0 "[ ]" 1
807 1 49 VAL MG1 1 50 LEU H . . 6.000 3.755 3.755 3.755 . 0 0 "[ ]" 1
808 1 49 VAL MG1 1 50 LEU HA . . 6.000 3.777 3.777 3.777 . 0 0 "[ ]" 1
809 1 49 VAL MG1 1 53 ARG HD2 . . 5.000 3.287 3.287 3.287 . 0 0 "[ ]" 1
810 1 49 VAL MG1 1 53 ARG HD3 . . 5.000 3.258 3.258 3.258 . 0 0 "[ ]" 1
811 1 49 VAL MG2 1 50 LEU H . . 6.000 3.984 3.984 3.984 . 0 0 "[ ]" 1
812 1 49 VAL MG2 1 53 ARG HD2 . . 7.500 5.856 5.856 5.856 . 0 0 "[ ]" 1
813 1 49 VAL MG2 1 53 ARG HD3 . . 7.500 5.747 5.747 5.747 . 0 0 "[ ]" 1
814 1 50 LEU H 1 50 LEU HB2 . . 3.500 2.401 2.401 2.401 . 0 0 "[ ]" 1
815 1 50 LEU H 1 50 LEU QB . . 2.900 2.180 2.180 2.180 . 0 0 "[ ]" 1
816 1 50 LEU H 1 50 LEU HB3 . . 3.500 2.500 2.500 2.500 . 0 0 "[ ]" 1
817 1 50 LEU H 1 50 LEU HG . . 5.000 4.440 4.440 4.440 . 0 0 "[ ]" 1
818 1 50 LEU H 1 51 GLN H . . 3.500 2.693 2.693 2.693 . 0 0 "[ ]" 1
819 1 50 LEU HA 1 50 LEU MD1 . . 3.500 2.183 2.183 2.183 . 0 0 "[ ]" 1
820 1 50 LEU HA 1 53 ARG HE . . 6.000 4.011 4.011 4.011 . 0 0 "[ ]" 1
821 1 50 LEU HA 1 54 TYR HB3 . . 7.500 7.522 7.522 7.522 0.022 1 0 "[ ]" 1
822 1 50 LEU HB2 1 51 GLN H . . 5.000 3.766 3.766 3.766 . 0 0 "[ ]" 1
823 1 50 LEU HB2 1 51 GLN HG2 . . 6.000 5.522 5.522 5.522 . 0 0 "[ ]" 1
824 1 50 LEU HB3 1 51 GLN H . . 5.000 2.432 2.432 2.432 . 0 0 "[ ]" 1
825 1 50 LEU HB3 1 56 ILE MG . . 7.500 5.338 5.338 5.338 . 0 0 "[ ]" 1
826 1 50 LEU QD 1 51 GLN H . . 7.500 3.842 3.842 3.842 . 0 0 "[ ]" 1
827 1 50 LEU QD 1 54 TYR QB . . 15.000 4.558 4.558 4.558 . 0 0 "[ ]" 1
828 1 50 LEU QD 1 54 TYR HD2 . . 15.000 6.736 6.736 6.736 . 0 0 "[ ]" 1
829 1 50 LEU QD 1 54 TYR HE2 . . 15.000 7.187 7.187 7.187 . 0 0 "[ ]" 1
830 1 50 LEU QD 1 56 ILE MG . . 7.500 3.633 3.633 3.633 . 0 0 "[ ]" 1
831 1 50 LEU QD 1 75 GLU QG . . 7.500 4.520 4.520 4.520 . 0 0 "[ ]" 1
832 1 50 LEU QD 1 76 VAL H . . 7.100 4.006 4.006 4.006 . 0 0 "[ ]" 1
833 1 50 LEU MD1 1 75 GLU HB3 . . 7.500 6.143 6.143 6.143 . 0 0 "[ ]" 1
834 1 50 LEU HG 1 51 GLN H . . 6.000 3.849 3.849 3.849 . 0 0 "[ ]" 1
835 1 50 LEU HG 1 56 ILE HB . . 5.000 4.021 4.021 4.021 . 0 0 "[ ]" 1
836 1 51 GLN H 1 51 GLN QB . . 3.500 2.487 2.487 2.487 . 0 0 "[ ]" 1
837 1 51 GLN H 1 51 GLN HE21 . . 6.000 3.293 3.293 3.293 . 0 0 "[ ]" 1
838 1 51 GLN H 1 51 GLN HE22 . . 6.000 4.906 4.906 4.906 . 0 0 "[ ]" 1
839 1 51 GLN H 1 51 GLN HG2 . . 5.000 2.012 2.012 2.012 . 0 0 "[ ]" 1
840 1 51 GLN H 1 51 GLN HG3 . . 5.000 3.286 3.286 3.286 . 0 0 "[ ]" 1
841 1 51 GLN H 1 52 GLN H . . 2.900 2.519 2.519 2.519 . 0 0 "[ ]" 1
842 1 51 GLN H 1 56 ILE H . . 6.000 4.166 4.166 4.166 . 0 0 "[ ]" 1
843 1 51 GLN HA 1 52 GLN H . . 3.500 3.457 3.457 3.457 . 0 0 "[ ]" 1
844 1 51 GLN HA 1 56 ILE H . . 3.500 1.929 1.929 1.929 . 0 0 "[ ]" 1
845 1 51 GLN QB 1 51 GLN HE22 . . 5.000 3.345 3.345 3.345 . 0 0 "[ ]" 1
846 1 51 GLN QB 1 52 GLN H . . 5.000 3.784 3.784 3.784 . 0 0 "[ ]" 1
847 1 51 GLN QB 1 56 ILE H . . 6.000 1.866 1.866 1.866 . 0 0 "[ ]" 1
848 1 51 GLN QB 1 57 ALA HA . . 6.000 3.526 3.526 3.526 . 0 0 "[ ]" 1
849 1 51 GLN QB 1 57 ALA MB . . 6.000 4.443 4.443 4.443 . 0 0 "[ ]" 1
850 1 51 GLN QB 1 58 LEU H . . 6.000 3.413 3.413 3.413 . 0 0 "[ ]" 1
851 1 51 GLN QE 1 56 ILE HB . . 6.000 4.302 4.302 4.302 . 0 0 "[ ]" 1
852 1 51 GLN QE 1 57 ALA MB . . 6.000 3.595 3.595 3.595 . 0 0 "[ ]" 1
853 1 51 GLN HE21 1 57 ALA MB . . 6.000 4.591 4.591 4.591 . 0 0 "[ ]" 1
854 1 51 GLN HE22 1 57 ALA MB . . 6.000 3.756 3.756 3.756 . 0 0 "[ ]" 1
855 1 51 GLN HG2 1 52 GLN H . . 6.000 2.880 2.880 2.880 . 0 0 "[ ]" 1
856 1 51 GLN HG2 1 57 ALA HA . . 6.000 5.171 5.171 5.171 . 0 0 "[ ]" 1
857 1 51 GLN HG2 1 57 ALA MB . . 7.500 6.249 6.249 6.249 . 0 0 "[ ]" 1
858 1 51 GLN HG3 1 52 GLN H . . 6.000 3.058 3.058 3.058 . 0 0 "[ ]" 1
859 1 51 GLN HG3 1 57 ALA HA . . 6.000 5.488 5.488 5.488 . 0 0 "[ ]" 1
860 1 51 GLN HG3 1 57 ALA MB . . 7.500 6.229 6.229 6.229 . 0 0 "[ ]" 1
861 1 52 GLN H 1 52 GLN QB . . 2.900 2.257 2.257 2.257 . 0 0 "[ ]" 1
862 1 52 GLN H 1 52 GLN HG2 . . 3.500 2.907 2.907 2.907 . 0 0 "[ ]" 1
863 1 52 GLN H 1 52 GLN QG . . 4.200 2.625 2.625 2.625 . 0 0 "[ ]" 1
864 1 52 GLN H 1 52 GLN HG3 . . 3.500 2.989 2.989 2.989 . 0 0 "[ ]" 1
865 1 52 GLN H 1 53 ARG H . . 2.900 2.579 2.579 2.579 . 0 0 "[ ]" 1
866 1 52 GLN HA 1 52 GLN HG2 . . 4.200 2.210 2.210 2.210 . 0 0 "[ ]" 1
867 1 52 GLN HA 1 52 GLN HG3 . . 4.200 3.496 3.496 3.496 . 0 0 "[ ]" 1
868 1 52 GLN HA 1 53 ARG H . . 3.500 3.483 3.483 3.483 . 0 0 "[ ]" 1
869 1 52 GLN QB 1 53 ARG H . . 4.200 3.100 3.100 3.100 . 0 0 "[ ]" 1
870 1 52 GLN QG 1 53 ARG H . . 6.000 4.394 4.394 4.394 . 0 0 "[ ]" 1
871 1 52 GLN QG 1 54 TYR HA . . 10.000 8.156 8.156 8.156 . 0 0 "[ ]" 1
872 1 53 ARG H 1 53 ARG HB2 . . 3.500 2.179 2.179 2.179 . 0 0 "[ ]" 1
873 1 53 ARG H 1 54 TYR H . . 3.500 2.454 2.454 2.454 . 0 0 "[ ]" 1
874 1 53 ARG HA 1 53 ARG HG2 . . 4.200 2.996 2.996 2.996 . 0 0 "[ ]" 1
875 1 53 ARG HA 1 53 ARG HG3 . . 4.200 2.140 2.140 2.140 . 0 0 "[ ]" 1
876 1 53 ARG HA 1 54 TYR H . . 4.200 3.647 3.647 3.647 . 0 0 "[ ]" 1
877 1 53 ARG HB2 1 53 ARG HD2 . . 4.200 3.504 3.504 3.504 . 0 0 "[ ]" 1
878 1 53 ARG HB2 1 53 ARG HD3 . . 4.200 2.192 2.192 2.192 . 0 0 "[ ]" 1
879 1 53 ARG HB2 1 54 TYR H . . 5.000 2.546 2.546 2.546 . 0 0 "[ ]" 1
880 1 53 ARG HB3 1 53 ARG HD2 . . 4.200 4.100 4.100 4.100 . 0 0 "[ ]" 1
881 1 53 ARG HB3 1 53 ARG HD3 . . 4.200 3.420 3.420 3.420 . 0 0 "[ ]" 1
882 1 53 ARG HB3 1 53 ARG HE . . 4.200 3.203 3.203 3.203 . 0 0 "[ ]" 1
883 1 53 ARG HB3 1 54 TYR H . . 5.000 2.943 2.943 2.943 . 0 0 "[ ]" 1
884 1 53 ARG HB3 1 54 TYR HE1 . . 15.000 3.613 3.613 3.613 . 0 0 "[ ]" 1
885 1 53 ARG QD 1 54 TYR H . . 6.000 4.481 4.481 4.481 . 0 0 "[ ]" 1
886 1 53 ARG QD 1 54 TYR HE1 . . 6.000 5.326 5.326 5.326 . 0 0 "[ ]" 1
887 1 53 ARG HD2 1 54 TYR HE1 . . 9.000 6.401 6.401 6.401 . 0 0 "[ ]" 1
888 1 53 ARG HD3 1 54 TYR HE1 . . 9.000 5.696 5.696 5.696 . 0 0 "[ ]" 1
889 1 53 ARG HE 1 54 TYR H . . 6.000 5.039 5.039 5.039 . 0 0 "[ ]" 1
890 1 53 ARG HE 1 76 VAL QG . . 7.500 5.208 5.208 5.208 . 0 0 "[ ]" 1
891 1 53 ARG QG 1 54 TYR H . . 6.000 4.322 4.322 4.322 . 0 0 "[ ]" 1
892 1 53 ARG HG2 1 54 TYR H . . 6.000 4.969 4.969 4.969 . 0 0 "[ ]" 1
893 1 53 ARG HG3 1 54 TYR H . . 6.000 4.750 4.750 4.750 . 0 0 "[ ]" 1
894 1 54 TYR H 1 54 TYR HB2 . . 3.500 2.075 2.075 2.075 . 0 0 "[ ]" 1
895 1 54 TYR H 1 54 TYR HB3 . . 3.500 3.396 3.396 3.396 . 0 0 "[ ]" 1
896 1 54 TYR H 1 55 GLY H . . 2.900 2.800 2.800 2.800 . 0 0 "[ ]" 1
897 1 54 TYR H 1 56 ILE H . . 6.000 4.423 4.423 4.423 . 0 0 "[ ]" 1
898 1 54 TYR QB 1 55 GLY H . . 4.200 1.931 1.931 1.931 . 0 0 "[ ]" 1
899 1 54 TYR QB 1 56 ILE H . . 6.200 3.597 3.597 3.597 . 0 0 "[ ]" 1
900 1 54 TYR QB 1 76 VAL QG . . 8.690 3.583 3.583 3.583 . 0 0 "[ ]" 1
901 1 54 TYR HB2 1 55 GLY H . . 6.000 2.034 2.034 2.034 . 0 0 "[ ]" 1
902 1 54 TYR HB2 1 56 ILE H . . 6.000 3.821 3.821 3.821 . 0 0 "[ ]" 1
903 1 54 TYR HB2 1 56 ILE HB . . 6.000 4.701 4.701 4.701 . 0 0 "[ ]" 1
904 1 54 TYR HB2 1 56 ILE MD . . 5.000 3.056 3.056 3.056 . 0 0 "[ ]" 1
905 1 54 TYR HB2 1 56 ILE HG12 . . 6.000 4.396 4.396 4.396 . 0 0 "[ ]" 1
906 1 54 TYR HB2 1 56 ILE HG13 . . 6.000 2.899 2.899 2.899 . 0 0 "[ ]" 1
907 1 54 TYR HB2 1 56 ILE MG . . 7.500 5.445 5.445 5.445 . 0 0 "[ ]" 1
908 1 54 TYR HB3 1 55 GLY H . . 6.000 2.405 2.405 2.405 . 0 0 "[ ]" 1
909 1 54 TYR HB3 1 56 ILE H . . 6.000 4.386 4.386 4.386 . 0 0 "[ ]" 1
910 1 54 TYR HB3 1 56 ILE HB . . 6.000 5.422 5.422 5.422 . 0 0 "[ ]" 1
911 1 54 TYR HB3 1 56 ILE HG12 . . 6.000 4.119 4.119 4.119 . 0 0 "[ ]" 1
912 1 54 TYR HB3 1 56 ILE HG13 . . 6.000 3.009 3.009 3.009 . 0 0 "[ ]" 1
913 1 54 TYR HB3 1 56 ILE MG . . 7.500 5.627 5.627 5.627 . 0 0 "[ ]" 1
914 1 55 GLY H 1 56 ILE H . . 2.900 2.231 2.231 2.231 . 0 0 "[ ]" 1
915 1 55 GLY QA 1 56 ILE H . . 3.500 2.597 2.597 2.597 . 0 0 "[ ]" 1
916 1 55 GLY QA 1 56 ILE HB . . 6.000 4.902 4.902 4.902 . 0 0 "[ ]" 1
917 1 55 GLY QA 1 56 ILE HG12 . . 6.000 4.934 4.934 4.934 . 0 0 "[ ]" 1
918 1 56 ILE H 1 56 ILE HB . . 3.500 2.575 2.575 2.575 . 0 0 "[ ]" 1
919 1 56 ILE H 1 57 ALA H . . 6.000 4.499 4.499 4.499 . 0 0 "[ ]" 1
920 1 56 ILE HA 1 56 ILE HG12 . . 2.900 2.738 2.738 2.738 . 0 0 "[ ]" 1
921 1 56 ILE HA 1 56 ILE HG13 . . 4.200 2.948 2.948 2.948 . 0 0 "[ ]" 1
922 1 56 ILE HA 1 56 ILE MG . . 3.500 2.267 2.267 2.267 . 0 0 "[ ]" 1
923 1 56 ILE HA 1 57 ALA H . . 3.500 2.567 2.567 2.567 . 0 0 "[ ]" 1
924 1 56 ILE HA 1 57 ALA MB . . 6.000 3.748 3.748 3.748 . 0 0 "[ ]" 1
925 1 56 ILE HB 1 57 ALA H . . 4.200 3.386 3.386 3.386 . 0 0 "[ ]" 1
926 1 56 ILE HB 1 57 ALA HA . . 5.000 4.617 4.617 4.617 . 0 0 "[ ]" 1
927 1 56 ILE HB 1 59 THR MG . . 7.500 6.061 6.061 6.061 . 0 0 "[ ]" 1
928 1 56 ILE HB 1 76 VAL QG . . 6.000 3.394 3.394 3.394 . 0 0 "[ ]" 1
929 1 56 ILE MD 1 57 ALA H . . 6.000 4.558 4.558 4.558 . 0 0 "[ ]" 1
930 1 56 ILE MD 1 76 VAL HA . . 4.200 2.228 2.228 2.228 . 0 0 "[ ]" 1
931 1 56 ILE QG 1 57 ALA H . . 6.000 4.043 4.043 4.043 . 0 0 "[ ]" 1
932 1 56 ILE HG13 1 57 ALA H . . 6.000 4.844 4.844 4.844 . 0 0 "[ ]" 1
933 1 56 ILE MG 1 57 ALA H . . 6.000 1.736 1.736 1.736 . 0 0 "[ ]" 1
934 1 56 ILE MG 1 58 LEU HB3 . . 7.500 3.894 3.894 3.894 . 0 0 "[ ]" 1
935 1 56 ILE MG 1 59 THR MG . . 7.500 4.968 4.968 4.968 . 0 0 "[ ]" 1
936 1 56 ILE MG 1 76 VAL HA . . 7.500 3.511 3.511 3.511 . 0 0 "[ ]" 1
937 1 56 ILE MG 1 76 VAL HB . . 7.500 5.511 5.511 5.511 . 0 0 "[ ]" 1
938 1 57 ALA H 1 57 ALA MB . . 3.500 2.408 2.408 2.408 . 0 0 "[ ]" 1
939 1 57 ALA H 1 58 LEU H . . 3.500 3.106 3.106 3.106 . 0 0 "[ ]" 1
940 1 57 ALA H 1 76 VAL QG . . 7.500 5.432 5.432 5.432 . 0 0 "[ ]" 1
941 1 57 ALA HA 1 58 LEU H . . 2.900 2.616 2.616 2.616 . 0 0 "[ ]" 1
942 1 57 ALA MB 1 58 LEU H . . 5.000 3.792 3.792 3.792 . 0 0 "[ ]" 1
943 1 58 LEU H 1 58 LEU QB . . 3.500 2.222 2.222 2.222 . 0 0 "[ ]" 1
944 1 58 LEU HA 1 59 THR H . . 3.500 2.522 2.522 2.522 . 0 0 "[ ]" 1
945 1 58 LEU QD 1 62 THR HB . . 7.500 4.543 4.543 4.543 . 0 0 "[ ]" 1
946 1 58 LEU QD 1 62 THR MG . . 6.000 2.023 2.023 2.023 . 0 0 "[ ]" 1
947 1 58 LEU QD 1 71 GLU QB . . 7.500 4.373 4.373 4.373 . 0 0 "[ ]" 1
948 1 58 LEU MD1 1 77 ASN H . . 7.500 5.446 5.446 5.446 . 0 0 "[ ]" 1
949 1 59 THR H 1 59 THR HB . . 4.200 3.624 3.624 3.624 . 0 0 "[ ]" 1
950 1 59 THR H 1 62 THR MG . . 7.500 2.677 2.677 2.677 . 0 0 "[ ]" 1
951 1 59 THR HA 1 59 THR MG . . 3.500 2.631 2.631 2.631 . 0 0 "[ ]" 1
952 1 59 THR HA 1 60 ASP H . . 3.500 2.690 2.690 2.690 . 0 0 "[ ]" 1
953 1 59 THR HA 1 61 GLU H . . 5.000 4.345 4.345 4.345 . 0 0 "[ ]" 1
954 1 59 THR HB 1 60 ASP H . . 5.000 2.324 2.324 2.324 . 0 0 "[ ]" 1
955 1 59 THR HB 1 61 GLU H . . 6.000 3.689 3.689 3.689 . 0 0 "[ ]" 1
956 1 59 THR MG 1 60 ASP H . . 5.000 3.908 3.908 3.908 . 0 0 "[ ]" 1
957 1 59 THR MG 1 61 GLU H . . 7.500 4.215 4.215 4.215 . 0 0 "[ ]" 1
958 1 59 THR MG 1 62 THR H . . 7.500 4.813 4.813 4.813 . 0 0 "[ ]" 1
959 1 60 ASP H 1 61 GLU H . . 3.500 2.917 2.917 2.917 . 0 0 "[ ]" 1
960 1 60 ASP HA 1 61 GLU H . . 5.000 3.596 3.596 3.596 . 0 0 "[ ]" 1
961 1 60 ASP HA 1 63 VAL H . . 4.200 3.596 3.596 3.596 . 0 0 "[ ]" 1
962 1 60 ASP HA 1 63 VAL HB . . 3.500 2.002 2.002 2.002 . 0 0 "[ ]" 1
963 1 60 ASP HA 1 63 VAL QG . . 7.500 2.852 2.852 2.852 . 0 0 "[ ]" 1
964 1 60 ASP QB 1 61 GLU H . . 5.000 2.690 2.690 2.690 . 0 0 "[ ]" 1
965 1 60 ASP QB 1 61 GLU HB3 . . 6.000 4.956 4.956 4.956 . 0 0 "[ ]" 1
966 1 60 ASP QB 1 63 VAL QG . . 7.500 4.270 4.270 4.270 . 0 0 "[ ]" 1
967 1 61 GLU H 1 61 GLU HB2 . . 3.500 2.423 2.423 2.423 . 0 0 "[ ]" 1
968 1 61 GLU H 1 61 GLU HB3 . . 3.500 2.586 2.586 2.586 . 0 0 "[ ]" 1
969 1 61 GLU H 1 61 GLU QG . . 5.000 3.977 3.977 3.977 . 0 0 "[ ]" 1
970 1 61 GLU H 1 62 THR H . . 3.500 3.318 3.318 3.318 . 0 0 "[ ]" 1
971 1 61 GLU H 1 62 THR HB . . 6.000 5.893 5.893 5.893 . 0 0 "[ ]" 1
972 1 61 GLU HA 1 61 GLU QG . . 3.500 2.486 2.486 2.486 . 0 0 "[ ]" 1
973 1 61 GLU HA 1 62 THR H . . 5.000 3.640 3.640 3.640 . 0 0 "[ ]" 1
974 1 61 GLU HA 1 64 GLY H . . 4.200 4.234 4.234 4.234 0.034 1 0 "[ ]" 1
975 1 61 GLU HB2 1 62 THR H . . 5.000 3.621 3.621 3.621 . 0 0 "[ ]" 1
976 1 61 GLU HB3 1 62 THR H . . 3.500 2.084 2.084 2.084 . 0 0 "[ ]" 1
977 1 61 GLU QG 1 62 THR H . . 6.000 2.951 2.951 2.951 . 0 0 "[ ]" 1
978 1 61 GLU QG 1 62 THR MG . . 6.000 3.891 3.891 3.891 . 0 0 "[ ]" 1
979 1 61 GLU QG 1 63 VAL H . . 6.000 4.926 4.926 4.926 . 0 0 "[ ]" 1
980 1 62 THR H 1 62 THR HB . . 3.500 2.636 2.636 2.636 . 0 0 "[ ]" 1
981 1 62 THR H 1 62 THR MG . . 3.500 1.912 1.912 1.912 . 0 0 "[ ]" 1
982 1 62 THR H 1 63 VAL H . . 3.500 2.386 2.386 2.386 . 0 0 "[ ]" 1
983 1 62 THR HA 1 64 GLY H . . 3.500 3.430 3.430 3.430 . 0 0 "[ ]" 1
984 1 62 THR HA 1 65 ARG HG3 . . 5.000 3.360 3.360 3.360 . 0 0 "[ ]" 1
985 1 62 THR HB 1 63 VAL H . . 5.000 4.051 4.051 4.051 . 0 0 "[ ]" 1
986 1 62 THR HB 1 66 LEU MD2 . . 7.500 4.972 4.972 4.972 . 0 0 "[ ]" 1
987 1 62 THR MG 1 63 VAL H . . 6.000 2.147 2.147 2.147 . 0 0 "[ ]" 1
988 1 63 VAL H 1 63 VAL HB . . 2.900 2.331 2.331 2.331 . 0 0 "[ ]" 1
989 1 63 VAL H 1 64 GLY H . . 3.500 2.695 2.695 2.695 . 0 0 "[ ]" 1
990 1 63 VAL HA 1 64 GLY H . . 5.000 3.460 3.460 3.460 . 0 0 "[ ]" 1
991 1 63 VAL HA 1 66 LEU QD . . 7.500 4.430 4.430 4.430 . 0 0 "[ ]" 1
992 1 63 VAL HB 1 64 GLY H . . 4.200 3.281 3.281 3.281 . 0 0 "[ ]" 1
993 1 63 VAL QG 1 64 GLY H . . 6.500 3.521 3.521 3.521 . 0 0 "[ ]" 1
994 1 63 VAL QG 1 72 LEU QD . . 7.500 2.325 2.325 2.325 . 0 0 "[ ]" 1
995 1 64 GLY QA 1 66 LEU H . . 6.000 3.957 3.957 3.957 . 0 0 "[ ]" 1
996 1 65 ARG H 1 65 ARG HB2 . . 4.200 3.551 3.551 3.551 . 0 0 "[ ]" 1
997 1 65 ARG H 1 65 ARG QB . . 3.500 2.596 2.596 2.596 . 0 0 "[ ]" 1
998 1 65 ARG H 1 65 ARG HB3 . . 3.500 2.669 2.669 2.669 . 0 0 "[ ]" 1
999 1 65 ARG H 1 66 LEU MD1 . . 7.500 5.875 5.875 5.875 . 0 0 "[ ]" 1
1000 1 65 ARG HA 1 65 ARG HE . . 6.000 4.748 4.748 4.748 . 0 0 "[ ]" 1
1001 1 65 ARG HB2 1 66 LEU H . . 5.000 3.850 3.850 3.850 . 0 0 "[ ]" 1
1002 1 65 ARG HG2 1 66 LEU MD1 . . 7.500 5.531 5.531 5.531 . 0 0 "[ ]" 1
1003 1 66 LEU H 1 68 THR H . . 6.000 5.737 5.737 5.737 . 0 0 "[ ]" 1
1004 1 66 LEU HA 1 67 GLY H . . 4.200 2.490 2.490 2.490 . 0 0 "[ ]" 1
1005 1 66 LEU QB 1 67 GLY H . . 5.000 2.490 2.490 2.490 . 0 0 "[ ]" 1
1006 1 66 LEU QD 1 67 GLY H . . 7.500 2.515 2.515 2.515 . 0 0 "[ ]" 1
1007 1 67 GLY H 1 68 THR H . . 3.500 1.857 1.857 1.857 . 0 0 "[ ]" 1
1008 1 67 GLY QA 1 68 THR MG . . 7.500 3.534 3.534 3.534 . 0 0 "[ ]" 1
1009 1 67 GLY HA2 1 68 THR H . . 4.200 3.084 3.084 3.084 . 0 0 "[ ]" 1
1010 1 67 GLY HA3 1 68 THR H . . 3.500 3.548 3.548 3.548 0.048 1 0 "[ ]" 1
1011 1 68 THR H 1 68 THR HB . . 4.200 3.729 3.729 3.729 . 0 0 "[ ]" 1
1012 1 68 THR H 1 68 THR MG . . 3.500 2.826 2.826 2.826 . 0 0 "[ ]" 1
1013 1 68 THR H 1 71 GLU H . . 6.000 4.251 4.251 4.251 . 0 0 "[ ]" 1
1014 1 68 THR H 1 71 GLU QB . . 5.000 2.818 2.818 2.818 . 0 0 "[ ]" 1
1015 1 68 THR H 1 71 GLU QG . . 6.000 3.861 3.861 3.861 . 0 0 "[ ]" 1
1016 1 68 THR HA 1 68 THR MG . . 3.500 2.369 2.369 2.369 . 0 0 "[ ]" 1
1017 1 68 THR HA 1 69 PRO HD2 . . 3.500 2.765 2.765 2.765 . 0 0 "[ ]" 1
1018 1 68 THR HA 1 69 PRO HD3 . . 3.500 2.010 2.010 2.010 . 0 0 "[ ]" 1
1019 1 68 THR HB 1 69 PRO HD2 . . 3.500 2.053 2.053 2.053 . 0 0 "[ ]" 1
1020 1 68 THR HB 1 69 PRO HD3 . . 3.500 3.062 3.062 3.062 . 0 0 "[ ]" 1
1021 1 68 THR HB 1 69 PRO HG2 . . 5.000 4.285 4.285 4.285 . 0 0 "[ ]" 1
1022 1 68 THR HB 1 70 ARG H . . 5.000 3.265 3.265 3.265 . 0 0 "[ ]" 1
1023 1 68 THR MG 1 69 PRO HD2 . . 7.500 3.494 3.494 3.494 . 0 0 "[ ]" 1
1024 1 68 THR MG 1 69 PRO QG . . 7.500 4.836 4.836 4.836 . 0 0 "[ ]" 1
1025 1 68 THR MG 1 70 ARG HD3 . . 7.500 5.087 5.087 5.087 . 0 0 "[ ]" 1
1026 1 68 THR MG 1 71 GLU H . . 6.000 4.397 4.397 4.397 . 0 0 "[ ]" 1
1027 1 68 THR MG 1 71 GLU QB . . 6.000 3.797 3.797 3.797 . 0 0 "[ ]" 1
1028 1 69 PRO HA 1 70 ARG H . . 5.000 3.531 3.531 3.531 . 0 0 "[ ]" 1
1029 1 69 PRO HA 1 72 LEU HB3 . . 5.000 3.664 3.664 3.664 . 0 0 "[ ]" 1
1030 1 69 PRO QB 1 70 ARG H . . 6.000 2.893 2.893 2.893 . 0 0 "[ ]" 1
1031 1 69 PRO QD 1 70 ARG H . . 5.000 2.329 2.329 2.329 . 0 0 "[ ]" 1
1032 1 69 PRO QG 1 70 ARG H . . 3.500 2.483 2.483 2.483 . 0 0 "[ ]" 1
1033 1 70 ARG H 1 70 ARG QB . . 3.500 2.501 2.501 2.501 . 0 0 "[ ]" 1
1034 1 70 ARG H 1 70 ARG HB3 . . 3.500 2.556 2.556 2.556 . 0 0 "[ ]" 1
1035 1 70 ARG H 1 70 ARG HD2 . . 6.000 4.708 4.708 4.708 . 0 0 "[ ]" 1
1036 1 70 ARG H 1 70 ARG QG . . 3.500 2.002 2.002 2.002 . 0 0 "[ ]" 1
1037 1 70 ARG H 1 71 GLU H . . 3.500 2.805 2.805 2.805 . 0 0 "[ ]" 1
1038 1 70 ARG H 1 73 LEU MD1 . . 7.500 6.265 6.265 6.265 . 0 0 "[ ]" 1
1039 1 70 ARG H 1 73 LEU QD . . 7.500 4.085 4.085 4.085 . 0 0 "[ ]" 1
1040 1 70 ARG H 1 73 LEU MD2 . . 7.500 4.140 4.140 4.140 . 0 0 "[ ]" 1
1041 1 70 ARG HA 1 71 GLU H . . 5.000 3.576 3.576 3.576 . 0 0 "[ ]" 1
1042 1 70 ARG HA 1 73 LEU H . . 3.500 3.281 3.281 3.281 . 0 0 "[ ]" 1
1043 1 70 ARG HA 1 73 LEU HB2 . . 5.000 4.884 4.884 4.884 . 0 0 "[ ]" 1
1044 1 70 ARG HA 1 73 LEU QB . . 4.200 3.539 3.539 3.539 . 0 0 "[ ]" 1
1045 1 70 ARG HA 1 73 LEU HB3 . . 4.200 3.633 3.633 3.633 . 0 0 "[ ]" 1
1046 1 70 ARG HA 1 73 LEU MD1 . . 6.000 4.036 4.036 4.036 . 0 0 "[ ]" 1
1047 1 70 ARG HA 1 73 LEU QD . . 4.200 2.000 2.000 2.000 . 0 0 "[ ]" 1
1048 1 70 ARG HA 1 73 LEU MD2 . . 6.000 2.005 2.005 2.005 . 0 0 "[ ]" 1
1049 1 70 ARG HA 1 74 ASP H . . 5.000 3.825 3.825 3.825 . 0 0 "[ ]" 1
1050 1 70 ARG QB 1 71 GLU H . . 4.200 3.506 3.506 3.506 . 0 0 "[ ]" 1
1051 1 70 ARG HB2 1 71 GLU H . . 4.200 3.809 3.809 3.809 . 0 0 "[ ]" 1
1052 1 70 ARG HB3 1 71 GLU H . . 5.000 4.097 4.097 4.097 . 0 0 "[ ]" 1
1053 1 70 ARG QG 1 71 GLU H . . 3.500 2.009 2.009 2.009 . 0 0 "[ ]" 1
1054 1 71 GLU H 1 71 GLU QB . . 2.900 2.183 2.183 2.183 . 0 0 "[ ]" 1
1055 1 71 GLU H 1 71 GLU HG2 . . 4.200 2.796 2.796 2.796 . 0 0 "[ ]" 1
1056 1 71 GLU H 1 71 GLU QG . . 4.200 2.718 2.718 2.718 . 0 0 "[ ]" 1
1057 1 71 GLU H 1 71 GLU HG3 . . 4.200 3.708 3.708 3.708 . 0 0 "[ ]" 1
1058 1 71 GLU H 1 72 LEU H . . 2.900 2.488 2.488 2.488 . 0 0 "[ ]" 1
1059 1 71 GLU H 1 73 LEU H . . 4.200 4.075 4.075 4.075 . 0 0 "[ ]" 1
1060 1 71 GLU H 1 73 LEU MD1 . . 7.500 6.179 6.179 6.179 . 0 0 "[ ]" 1
1061 1 71 GLU H 1 73 LEU MD2 . . 7.500 4.973 4.973 4.973 . 0 0 "[ ]" 1
1062 1 71 GLU HA 1 71 GLU HG2 . . 4.200 2.547 2.547 2.547 . 0 0 "[ ]" 1
1063 1 71 GLU HA 1 71 GLU HG3 . . 4.200 3.634 3.634 3.634 . 0 0 "[ ]" 1
1064 1 71 GLU HA 1 72 LEU H . . 3.500 3.480 3.480 3.480 . 0 0 "[ ]" 1
1065 1 71 GLU HA 1 74 ASP H . . 5.000 3.295 3.295 3.295 . 0 0 "[ ]" 1
1066 1 71 GLU HA 1 74 ASP HB2 . . 3.500 3.092 3.092 3.092 . 0 0 "[ ]" 1
1067 1 71 GLU HA 1 74 ASP QB . . 4.200 2.384 2.384 2.384 . 0 0 "[ ]" 1
1068 1 71 GLU HA 1 74 ASP HB3 . . 2.900 2.479 2.479 2.479 . 0 0 "[ ]" 1
1069 1 71 GLU QB 1 72 LEU H . . 4.200 3.120 3.120 3.120 . 0 0 "[ ]" 1
1070 1 72 LEU H 1 72 LEU HB2 . . 3.500 2.054 2.054 2.054 . 0 0 "[ ]" 1
1071 1 72 LEU H 1 72 LEU QB . . 2.900 2.031 2.031 2.031 . 0 0 "[ ]" 1
1072 1 72 LEU H 1 72 LEU HB3 . . 3.500 3.183 3.183 3.183 . 0 0 "[ ]" 1
1073 1 72 LEU H 1 73 LEU H . . 2.900 2.357 2.357 2.357 . 0 0 "[ ]" 1
1074 1 72 LEU HA 1 72 LEU HG . . 4.200 3.605 3.605 3.605 . 0 0 "[ ]" 1
1075 1 72 LEU HA 1 73 LEU H . . 5.000 3.560 3.560 3.560 . 0 0 "[ ]" 1
1076 1 72 LEU HA 1 75 GLU HA . . 6.000 5.690 5.690 5.690 . 0 0 "[ ]" 1
1077 1 72 LEU HB2 1 73 LEU H . . 5.000 3.357 3.357 3.357 . 0 0 "[ ]" 1
1078 1 72 LEU HB3 1 73 LEU H . . 5.000 3.285 3.285 3.285 . 0 0 "[ ]" 1
1079 1 72 LEU QD 1 73 LEU H . . 7.000 4.098 4.098 4.098 . 0 0 "[ ]" 1
1080 1 72 LEU QD 1 73 LEU HA . . 6.500 4.472 4.472 4.472 . 0 0 "[ ]" 1
1081 1 72 LEU QD 1 75 GLU H . . 7.500 4.559 4.559 4.559 . 0 0 "[ ]" 1
1082 1 72 LEU QD 1 75 GLU HB2 . . 7.500 3.933 3.933 3.933 . 0 0 "[ ]" 1
1083 1 72 LEU QD 1 75 GLU HB3 . . 7.500 3.598 3.598 3.598 . 0 0 "[ ]" 1
1084 1 72 LEU QD 1 75 GLU HG2 . . 7.500 4.232 4.232 4.232 . 0 0 "[ ]" 1
1085 1 72 LEU QD 1 75 GLU HG3 . . 7.500 5.177 5.177 5.177 . 0 0 "[ ]" 1
1086 1 72 LEU MD1 1 76 VAL H . . 7.500 4.686 4.686 4.686 . 0 0 "[ ]" 1
1087 1 72 LEU HG 1 73 LEU H . . 6.000 5.432 5.432 5.432 . 0 0 "[ ]" 1
1088 1 73 LEU H 1 73 LEU HB2 . . 4.200 3.576 3.576 3.576 . 0 0 "[ ]" 1
1089 1 73 LEU H 1 73 LEU QB . . 2.900 2.368 2.368 2.368 . 0 0 "[ ]" 1
1090 1 73 LEU H 1 73 LEU HB3 . . 3.500 2.403 2.403 2.403 . 0 0 "[ ]" 1
1091 1 73 LEU H 1 73 LEU HG . . 3.500 2.548 2.548 2.548 . 0 0 "[ ]" 1
1092 1 73 LEU HA 1 73 LEU HG . . 4.200 3.700 3.700 3.700 . 0 0 "[ ]" 1
1093 1 73 LEU HA 1 74 ASP H . . 5.000 3.606 3.606 3.606 . 0 0 "[ ]" 1
1094 1 73 LEU HA 1 76 VAL H . . 3.500 3.486 3.486 3.486 . 0 0 "[ ]" 1
1095 1 73 LEU HA 1 76 VAL HB . . 3.500 3.136 3.136 3.136 . 0 0 "[ ]" 1
1096 1 73 LEU HA 1 76 VAL QG . . 7.500 3.422 3.422 3.422 . 0 0 "[ ]" 1
1097 1 73 LEU QB 1 74 ASP H . . 4.200 3.452 3.452 3.452 . 0 0 "[ ]" 1
1098 1 73 LEU HB2 1 74 ASP H . . 5.000 4.052 4.052 4.052 . 0 0 "[ ]" 1
1099 1 73 LEU HB2 1 76 VAL HB . . 6.000 4.778 4.778 4.778 . 0 0 "[ ]" 1
1100 1 73 LEU HB2 1 77 ASN HD21 . . 5.000 2.964 2.964 2.964 . 0 0 "[ ]" 1
1101 1 73 LEU HB2 1 77 ASN HD22 . . 5.000 3.637 3.637 3.637 . 0 0 "[ ]" 1
1102 1 73 LEU HB3 1 74 ASP H . . 4.200 3.741 3.741 3.741 . 0 0 "[ ]" 1
1103 1 73 LEU QD 1 74 ASP H . . 7.500 2.823 2.823 2.823 . 0 0 "[ ]" 1
1104 1 73 LEU QD 1 76 VAL HB . . 7.500 4.666 4.666 4.666 . 0 0 "[ ]" 1
1105 1 73 LEU MD1 1 77 ASN QD . . 7.500 2.013 2.013 2.013 . 0 0 "[ ]" 1
1106 1 73 LEU MD2 1 77 ASN QD . . 7.500 4.284 4.284 4.284 . 0 0 "[ ]" 1
1107 1 73 LEU HG 1 74 ASP H . . 3.500 1.945 1.945 1.945 . 0 0 "[ ]" 1
1108 1 74 ASP H 1 74 ASP HB2 . . 3.500 2.281 2.281 2.281 . 0 0 "[ ]" 1
1109 1 74 ASP H 1 74 ASP HB3 . . 3.500 2.644 2.644 2.644 . 0 0 "[ ]" 1
1110 1 74 ASP H 1 75 GLU H . . 2.900 2.742 2.742 2.742 . 0 0 "[ ]" 1
1111 1 74 ASP H 1 75 GLU HB3 . . 6.000 5.049 5.049 5.049 . 0 0 "[ ]" 1
1112 1 74 ASP H 1 76 VAL H . . 5.000 4.474 4.474 4.474 . 0 0 "[ ]" 1
1113 1 74 ASP HA 1 77 ASN H . . 3.500 3.196 3.196 3.196 . 0 0 "[ ]" 1
1114 1 74 ASP HA 1 77 ASN QB . . 3.500 2.227 2.227 2.227 . 0 0 "[ ]" 1
1115 1 74 ASP HB2 1 75 GLU H . . 5.000 3.689 3.689 3.689 . 0 0 "[ ]" 1
1116 1 74 ASP HB3 1 75 GLU H . . 5.000 2.456 2.456 2.456 . 0 0 "[ ]" 1
1117 1 75 GLU H 1 75 GLU HB2 . . 2.900 2.295 2.295 2.295 . 0 0 "[ ]" 1
1118 1 75 GLU H 1 75 GLU HB3 . . 3.500 2.671 2.671 2.671 . 0 0 "[ ]" 1
1119 1 75 GLU H 1 76 VAL H . . 2.900 2.946 2.946 2.946 0.046 1 0 "[ ]" 1
1120 1 75 GLU HA 1 76 VAL H . . 4.200 3.637 3.637 3.637 . 0 0 "[ ]" 1
1121 1 75 GLU HA 1 78 THR H . . 5.000 4.037 4.037 4.037 . 0 0 "[ ]" 1
1122 1 75 GLU HA 1 78 THR HB . . 3.500 2.398 2.398 2.398 . 0 0 "[ ]" 1
1123 1 75 GLU HB2 1 76 VAL H . . 5.000 3.695 3.695 3.695 . 0 0 "[ ]" 1
1124 1 75 GLU HB3 1 76 VAL H . . 3.500 2.366 2.366 2.366 . 0 0 "[ ]" 1
1125 1 75 GLU QG 1 76 VAL H . . 6.000 3.630 3.630 3.630 . 0 0 "[ ]" 1
1126 1 76 VAL H 1 76 VAL HB . . 2.900 2.409 2.409 2.409 . 0 0 "[ ]" 1
1127 1 76 VAL H 1 76 VAL QG . . 4.200 1.990 1.990 1.990 . 0 0 "[ ]" 1
1128 1 76 VAL H 1 76 VAL MG2 . . 3.500 1.998 1.998 1.998 . 0 0 "[ ]" 1
1129 1 76 VAL H 1 78 THR H . . 5.000 4.168 4.168 4.168 . 0 0 "[ ]" 1
1130 1 76 VAL HA 1 76 VAL MG1 . . 3.500 2.316 2.316 2.316 . 0 0 "[ ]" 1
1131 1 76 VAL HA 1 77 ASN H . . 3.500 3.555 3.555 3.555 0.055 1 0 "[ ]" 1
1132 1 76 VAL HA 1 78 THR H . . 5.000 3.446 3.446 3.446 . 0 0 "[ ]" 1
1133 1 76 VAL HA 1 79 THR HB . . 5.000 3.457 3.457 3.457 . 0 0 "[ ]" 1
1134 1 76 VAL HB 1 77 ASN H . . 3.500 2.924 2.924 2.924 . 0 0 "[ ]" 1
1135 1 76 VAL QG 1 77 ASN H . . 6.000 3.430 3.430 3.430 . 0 0 "[ ]" 1
1136 1 76 VAL MG1 1 77 ASN H . . 6.000 3.789 3.789 3.789 . 0 0 "[ ]" 1
1137 1 76 VAL MG2 1 77 ASN H . . 5.000 3.919 3.919 3.919 . 0 0 "[ ]" 1
1138 1 77 ASN H 1 77 ASN QB . . 2.900 2.163 2.163 2.163 . 0 0 "[ ]" 1
1139 1 77 ASN H 1 78 THR H . . 2.900 2.839 2.839 2.839 . 0 0 "[ ]" 1
1140 1 77 ASN HA 1 78 THR H . . 3.500 3.025 3.025 3.025 . 0 0 "[ ]" 1
1141 1 77 ASN QB 1 78 THR H . . 4.200 3.780 3.780 3.780 . 0 0 "[ ]" 1
1142 1 78 THR H 1 78 THR HB . . 3.500 2.558 2.558 2.558 . 0 0 "[ ]" 1
1143 1 78 THR H 1 79 THR H . . 3.500 2.247 2.247 2.247 . 0 0 "[ ]" 1
1144 1 78 THR HA 1 79 THR H . . 4.200 3.632 3.632 3.632 . 0 0 "[ ]" 1
1145 1 78 THR HB 1 79 THR H . . 5.000 2.437 2.437 2.437 . 0 0 "[ ]" 1
1146 1 78 THR MG 1 79 THR H . . 5.000 2.947 2.947 2.947 . 0 0 "[ ]" 1
1147 1 79 THR H 1 79 THR HB . . 3.500 2.392 2.392 2.392 . 0 0 "[ ]" 1
1148 1 79 THR HA 1 80 PRO QD . . 3.500 1.900 1.900 1.900 . 0 0 "[ ]" 1
1149 1 79 THR HB 1 80 PRO QD . . 6.000 4.374 4.374 4.374 . 0 0 "[ ]" 1
1150 1 79 THR MG 1 80 PRO HB3 . . 7.500 5.632 5.632 5.632 . 0 0 "[ ]" 1
1151 1 79 THR MG 1 80 PRO QD . . 7.500 2.997 2.997 2.997 . 0 0 "[ ]" 1
1152 1 80 PRO HA 1 81 ALA H . . 5.000 2.562 2.562 2.562 . 0 0 "[ ]" 1
1153 1 80 PRO QB 1 81 ALA H . . 5.000 2.353 2.353 2.353 . 0 0 "[ ]" 1
1154 1 80 PRO HB2 1 81 ALA H . . 5.000 2.413 2.413 2.413 . 0 0 "[ ]" 1
1155 1 80 PRO HB3 1 81 ALA H . . 5.000 3.262 3.262 3.262 . 0 0 "[ ]" 1
1156 1 80 PRO HG2 1 81 ALA H . . 5.000 4.471 4.471 4.471 . 0 0 "[ ]" 1
1157 1 81 ALA H 1 81 ALA HA . . 2.900 2.880 2.880 2.880 . 0 0 "[ ]" 1
1158 1 81 ALA H 1 82 THR H . . 3.500 2.861 2.861 2.861 . 0 0 "[ ]" 1
1159 1 81 ALA H 1 83 ALA H . . 5.000 4.538 4.538 4.538 . 0 0 "[ ]" 1
1160 1 81 ALA HA 1 82 THR H . . 3.500 2.562 2.562 2.562 . 0 0 "[ ]" 1
1161 1 81 ALA MB 1 82 THR H . . 7.500 3.789 3.789 3.789 . 0 0 "[ ]" 1
1162 1 81 ALA MB 1 83 ALA H . . 7.500 5.595 5.595 5.595 . 0 0 "[ ]" 1
1163 1 82 THR H 1 82 THR HB . . 4.200 2.705 2.705 2.705 . 0 0 "[ ]" 1
1164 1 82 THR H 1 83 ALA H . . 3.500 2.223 2.223 2.223 . 0 0 "[ ]" 1
1165 1 82 THR HA 1 83 ALA H . . 4.200 3.632 3.632 3.632 . 0 0 "[ ]" 1
1166 1 82 THR HB 1 83 ALA H . . 6.000 2.430 2.430 2.430 . 0 0 "[ ]" 1
1167 1 83 ALA H 1 83 ALA MB . . 3.500 2.836 2.836 2.836 . 0 0 "[ ]" 1
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