NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
395552 |
1rw2   |
5907 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1rw2
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 909
_Distance_constraint_stats_list.Viol_count 827
_Distance_constraint_stats_list.Viol_total 557.244
_Distance_constraint_stats_list.Viol_max 0.358
_Distance_constraint_stats_list.Viol_rms 0.0259
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0674
_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 34 VAL 0.000 0.000 . 0 "[ . 1]"
1 35 ASN 0.714 0.111 10 0 "[ . 1]"
1 36 PRO 0.714 0.111 10 0 "[ . 1]"
1 37 ALA 0.463 0.071 4 0 "[ . 1]"
1 38 GLU 0.020 0.020 7 0 "[ . 1]"
1 39 ASN 1.545 0.156 8 0 "[ . 1]"
1 40 PHE 0.230 0.042 7 0 "[ . 1]"
1 41 ARG 1.021 0.071 4 0 "[ . 1]"
1 42 VAL 0.120 0.029 4 0 "[ . 1]"
1 43 LEU 1.805 0.156 8 0 "[ . 1]"
1 44 VAL 0.895 0.088 6 0 "[ . 1]"
1 45 LYS 0.207 0.045 7 0 "[ . 1]"
1 46 GLN 0.036 0.016 9 0 "[ . 1]"
1 48 LYS 0.203 0.067 2 0 "[ . 1]"
1 49 ALA 0.000 0.000 . 0 "[ . 1]"
1 50 SER 0.000 0.000 . 0 "[ . 1]"
1 51 PHE 0.314 0.088 6 0 "[ . 1]"
1 52 GLU 1.457 0.209 8 0 "[ . 1]"
1 53 GLU 0.040 0.040 10 0 "[ . 1]"
1 54 ALA 0.815 0.130 6 0 "[ . 1]"
1 55 SER 1.406 0.171 6 0 "[ . 1]"
1 56 ASN 1.925 0.284 8 0 "[ . 1]"
1 57 GLN 0.153 0.051 8 0 "[ . 1]"
1 58 LEU 2.863 0.130 8 0 "[ . 1]"
1 59 ILE 5.690 0.358 10 0 "[ . 1]"
1 60 ASN 0.734 0.081 2 0 "[ . 1]"
1 61 HIS 4.045 0.130 8 0 "[ . 1]"
1 62 ILE 0.662 0.085 8 0 "[ . 1]"
1 63 GLU 0.358 0.033 1 0 "[ . 1]"
1 64 GLN 2.910 0.208 3 0 "[ . 1]"
1 65 PHE 1.459 0.112 4 0 "[ . 1]"
1 66 LEU 0.129 0.028 10 0 "[ . 1]"
1 67 ASP 0.280 0.033 1 0 "[ . 1]"
1 68 THR 2.293 0.208 3 0 "[ . 1]"
1 69 ASN 0.000 0.000 . 0 "[ . 1]"
1 70 GLU 0.000 0.000 . 0 "[ . 1]"
1 71 THR 0.000 0.000 . 0 "[ . 1]"
1 72 PRO 0.000 0.000 . 0 "[ . 1]"
1 73 TYR 0.249 0.049 10 0 "[ . 1]"
1 74 PHE 1.828 0.139 4 0 "[ . 1]"
1 75 MET 0.946 0.111 5 0 "[ . 1]"
1 76 LYS 0.583 0.060 5 0 "[ . 1]"
1 77 SER 0.007 0.007 3 0 "[ . 1]"
1 78 ILE 1.945 0.139 4 0 "[ . 1]"
1 79 ASP 1.036 0.111 5 0 "[ . 1]"
1 80 CYS 2.200 0.162 3 0 "[ . 1]"
1 81 ILE 2.902 0.358 10 0 "[ . 1]"
1 82 ARG 0.091 0.020 3 0 "[ . 1]"
1 83 ALA 0.104 0.031 6 0 "[ . 1]"
1 84 PHE 1.699 0.162 3 0 "[ . 1]"
1 85 ARG 0.622 0.145 10 0 "[ . 1]"
1 86 GLU 0.194 0.071 5 0 "[ . 1]"
1 87 GLU 0.011 0.010 3 0 "[ . 1]"
1 88 ALA 0.000 0.000 . 0 "[ . 1]"
1 89 ILE 0.461 0.138 7 0 "[ . 1]"
1 90 LYS 0.156 0.071 5 0 "[ . 1]"
1 91 PHE 0.000 0.000 . 0 "[ . 1]"
1 92 SER 0.000 0.000 . 0 "[ . 1]"
1 93 GLU 0.000 0.000 . 0 "[ . 1]"
1 94 GLU 0.043 0.030 6 0 "[ . 1]"
1 95 GLN 0.827 0.094 3 0 "[ . 1]"
1 96 ARG 0.723 0.130 6 0 "[ . 1]"
1 97 PHE 1.745 0.160 5 0 "[ . 1]"
1 98 ASN 1.291 0.094 3 0 "[ . 1]"
1 99 ASN 2.604 0.182 3 0 "[ . 1]"
1 100 PHE 2.045 0.160 5 0 "[ . 1]"
1 101 LEU 2.741 0.158 9 0 "[ . 1]"
1 102 LYS 3.126 0.182 3 0 "[ . 1]"
1 103 ALA 1.826 0.109 1 0 "[ . 1]"
1 104 LEU 3.350 0.178 5 0 "[ . 1]"
1 105 GLN 4.772 0.255 8 0 "[ . 1]"
1 106 GLU 1.107 0.066 4 0 "[ . 1]"
1 107 LYS 1.833 0.178 5 0 "[ . 1]"
1 108 VAL 3.580 0.255 8 0 "[ . 1]"
1 109 GLU 0.894 0.133 6 0 "[ . 1]"
1 110 ILE 0.362 0.051 2 0 "[ . 1]"
1 111 LYS 0.000 0.000 . 0 "[ . 1]"
1 112 GLN 2.837 0.280 10 0 "[ . 1]"
1 113 LEU 3.561 0.280 10 0 "[ . 1]"
1 114 ASN 0.093 0.053 2 0 "[ . 1]"
1 115 HIS 1.305 0.119 8 0 "[ . 1]"
1 116 PHE 2.349 0.135 5 0 "[ . 1]"
1 117 TRP 0.603 0.089 6 0 "[ . 1]"
1 118 GLU 0.457 0.063 9 0 "[ . 1]"
1 119 ILE 2.120 0.119 8 0 "[ . 1]"
1 120 VAL 2.401 0.135 5 0 "[ . 1]"
1 121 VAL 0.591 0.089 6 0 "[ . 1]"
1 122 GLN 0.457 0.063 9 0 "[ . 1]"
1 123 ASP 0.324 0.051 10 0 "[ . 1]"
1 124 GLY 0.431 0.063 4 0 "[ . 1]"
1 125 ILE 0.000 0.000 . 0 "[ . 1]"
1 126 THR 0.141 0.113 6 0 "[ . 1]"
1 127 LEU 1.722 0.284 5 0 "[ . 1]"
1 128 ILE 0.000 0.000 . 0 "[ . 1]"
1 129 THR 0.521 0.090 9 0 "[ . 1]"
1 130 LYS 0.000 0.000 . 0 "[ . 1]"
1 131 GLU 0.521 0.090 9 0 "[ . 1]"
1 132 GLU 0.000 0.000 . 0 "[ . 1]"
1 133 ALA 0.000 0.000 . 0 "[ . 1]"
1 134 SER 0.000 0.000 . 0 "[ . 1]"
1 136 SER 0.000 0.000 . 0 "[ . 1]"
1 137 SER 0.000 0.000 . 0 "[ . 1]"
1 138 VAL 0.000 0.000 . 0 "[ . 1]"
1 139 THR 0.000 0.000 . 0 "[ . 1]"
1 140 ALA 0.038 0.023 8 0 "[ . 1]"
1 141 GLU 0.983 0.141 9 0 "[ . 1]"
1 142 GLU 1.362 0.133 5 0 "[ . 1]"
1 143 ALA 0.023 0.023 8 0 "[ . 1]"
1 144 LYS 0.273 0.098 10 0 "[ . 1]"
1 145 LYS 1.495 0.141 9 0 "[ . 1]"
1 146 PHE 2.379 0.284 5 0 "[ . 1]"
1 147 LEU 0.097 0.067 9 0 "[ . 1]"
1 148 ALA 0.112 0.060 2 0 "[ . 1]"
1 149 PRO 0.112 0.060 2 0 "[ . 1]"
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 34 VAL MG1 1 35 ASN HA 4.650 . 7.500 4.511 3.786 5.796 . 0 0 "[ . 1]" 1
2 1 34 VAL MG1 1 35 ASN HB2 4.650 . 7.500 3.441 2.239 5.150 . 0 0 "[ . 1]" 1
3 1 34 VAL MG1 1 35 ASN HB3 4.650 . 7.500 3.868 2.974 5.687 . 0 0 "[ . 1]" 1
4 1 35 ASN HA 1 36 PRO HA 3.900 . 6.000 4.495 4.460 4.546 . 0 0 "[ . 1]" 1
5 1 35 ASN HA 1 36 PRO QD 4.400 . 7.000 1.992 1.896 2.019 . 0 0 "[ . 1]" 1
6 1 35 ASN HA 1 76 LYS QD 4.400 . 7.000 4.133 4.042 4.259 . 0 0 "[ . 1]" 1
7 1 35 ASN HA 1 76 LYS QE 4.400 . 7.000 5.465 4.954 5.819 . 0 0 "[ . 1]" 1
8 1 35 ASN HB2 1 36 PRO HA 3.900 . 6.000 6.071 6.052 6.111 0.111 10 0 "[ . 1]" 1
9 1 35 ASN HB2 1 36 PRO QD 4.400 . 7.000 4.106 3.964 4.246 . 0 0 "[ . 1]" 1
10 1 35 ASN HB2 1 37 ALA MB 4.650 . 7.500 4.898 4.702 5.058 . 0 0 "[ . 1]" 1
11 1 35 ASN HB2 1 38 GLU QB 3.900 . 6.000 3.558 3.264 3.987 . 0 0 "[ . 1]" 1
12 1 35 ASN HB3 1 36 PRO HA 3.900 . 6.000 4.987 4.931 5.049 . 0 0 "[ . 1]" 1
13 1 35 ASN HB3 1 36 PRO QD 4.400 . 7.000 4.121 3.980 4.260 . 0 0 "[ . 1]" 1
14 1 35 ASN HB3 1 38 GLU QB 3.900 . 6.000 2.054 1.851 2.380 . 0 0 "[ . 1]" 1
15 1 36 PRO HA 1 37 ALA MB 4.650 . 7.500 4.940 4.919 4.971 . 0 0 "[ . 1]" 1
16 1 36 PRO HA 1 58 LEU MD2 4.650 . 7.500 4.974 4.069 5.359 . 0 0 "[ . 1]" 1
17 1 36 PRO HA 1 61 HIS HE1 3.900 . 6.000 5.457 5.435 5.483 . 0 0 "[ . 1]" 1
18 1 36 PRO QD 1 61 HIS HE1 4.400 . 7.000 4.392 4.330 4.435 . 0 0 "[ . 1]" 1
19 1 36 PRO QG 1 58 LEU MD2 4.650 . 7.500 3.311 3.125 3.383 . 0 0 "[ . 1]" 1
20 1 37 ALA HA 1 40 PHE H 2.650 . 3.500 3.381 3.275 3.518 0.018 10 0 "[ . 1]" 1
21 1 37 ALA HA 1 58 LEU QB 4.400 . 7.000 4.110 3.971 4.333 . 0 0 "[ . 1]" 1
22 1 37 ALA HA 1 58 LEU MD1 4.650 . 7.500 2.971 2.606 3.142 . 0 0 "[ . 1]" 1
23 1 37 ALA HA 1 58 LEU MD2 4.150 . 6.500 2.208 2.070 2.399 . 0 0 "[ . 1]" 1
24 1 37 ALA HA 1 83 ALA MB 4.650 . 7.500 3.937 3.603 4.039 . 0 0 "[ . 1]" 1
25 1 37 ALA MB 1 40 PHE QD 5.650 . 9.500 2.637 2.315 3.237 . 0 0 "[ . 1]" 1
26 1 37 ALA MB 1 58 LEU MD1 5.400 . 9.000 2.013 1.773 2.576 0.027 4 0 "[ . 1]" 1
27 1 37 ALA MB 1 58 LEU MD2 4.900 . 8.000 2.144 1.851 2.636 . 0 0 "[ . 1]" 1
28 1 37 ALA MB 1 61 HIS HE1 4.650 . 7.500 4.763 4.384 5.484 . 0 0 "[ . 1]" 1
29 1 37 ALA MB 1 62 ILE MD 5.400 . 9.000 4.206 3.931 4.580 . 0 0 "[ . 1]" 1
30 1 37 ALA MB 1 80 CYS HA 4.150 . 6.500 2.115 1.951 2.258 . 0 0 "[ . 1]" 1
31 1 37 ALA MB 1 80 CYS HB2 4.650 . 7.500 2.349 1.976 3.026 . 0 0 "[ . 1]" 1
32 1 37 ALA MB 1 83 ALA HA 4.650 . 7.500 4.062 4.001 4.103 . 0 0 "[ . 1]" 1
33 1 37 ALA MB 1 83 ALA MB 4.400 . 7.000 1.856 1.796 1.899 0.004 7 0 "[ . 1]" 1
34 1 37 ALA O 1 41 ARG H 1.900 . 2.000 2.027 1.930 2.071 0.071 4 0 "[ . 1]" 1
35 1 37 ALA O 1 41 ARG N 2.400 . 3.000 2.975 2.825 3.033 0.033 4 0 "[ . 1]" 1
36 1 38 GLU HA 1 41 ARG H 2.650 . 3.500 3.202 3.048 3.353 . 0 0 "[ . 1]" 1
37 1 38 GLU HA 1 44 VAL MG1 4.650 . 7.500 6.844 6.716 6.908 . 0 0 "[ . 1]" 1
38 1 38 GLU QB 1 42 VAL MG1 4.650 . 7.500 6.205 6.035 6.304 . 0 0 "[ . 1]" 1
39 1 38 GLU O 1 42 VAL H 1.900 . 2.000 1.958 1.904 2.020 0.020 7 0 "[ . 1]" 1
40 1 38 GLU O 1 42 VAL N 2.400 . 3.000 2.740 2.676 2.791 . 0 0 "[ . 1]" 1
41 1 39 ASN HA 1 42 VAL H 2.650 . 3.500 3.178 3.105 3.295 . 0 0 "[ . 1]" 1
42 1 39 ASN HA 1 42 VAL HB 3.400 . 5.000 2.543 2.532 2.552 . 0 0 "[ . 1]" 1
43 1 39 ASN HA 1 42 VAL MG1 4.150 . 6.500 3.915 3.839 3.941 . 0 0 "[ . 1]" 1
44 1 39 ASN HA 1 42 VAL MG2 4.150 . 6.500 2.776 2.633 2.875 . 0 0 "[ . 1]" 1
45 1 39 ASN HA 1 43 LEU MD1 4.650 . 7.500 3.730 3.588 3.950 . 0 0 "[ . 1]" 1
46 1 39 ASN O 1 43 LEU H 1.900 . 2.000 2.115 2.080 2.156 0.156 8 0 "[ . 1]" 1
47 1 39 ASN O 1 43 LEU N 2.400 . 3.000 3.039 3.016 3.057 0.057 8 0 "[ . 1]" 1
48 1 40 PHE HA 1 40 PHE QE 4.400 . 7.000 5.208 4.585 5.344 . 0 0 "[ . 1]" 1
49 1 40 PHE HA 1 43 LEU H 2.650 . 3.500 3.376 3.032 3.463 . 0 0 "[ . 1]" 1
50 1 40 PHE HA 1 43 LEU MD1 4.150 . 6.500 1.952 1.758 2.171 0.042 7 0 "[ . 1]" 1
51 1 40 PHE HA 1 58 LEU MD1 4.650 . 7.500 5.433 5.223 5.857 . 0 0 "[ . 1]" 1
52 1 40 PHE QD 1 41 ARG HA 4.900 . 8.000 3.883 3.305 5.541 . 0 0 "[ . 1]" 1
53 1 40 PHE QD 1 43 LEU MD2 5.650 . 9.500 5.548 4.620 5.800 . 0 0 "[ . 1]" 1
54 1 40 PHE QD 1 44 VAL MG2 5.650 . 9.500 4.171 3.362 5.782 . 0 0 "[ . 1]" 1
55 1 40 PHE QD 1 54 ALA MB 5.150 . 8.500 2.145 1.926 3.184 . 0 0 "[ . 1]" 1
56 1 40 PHE QD 1 55 SER HA 4.900 . 8.000 2.879 2.410 4.328 . 0 0 "[ . 1]" 1
57 1 40 PHE QD 1 58 LEU MD1 5.650 . 9.500 2.655 2.171 3.568 . 0 0 "[ . 1]" 1
58 1 40 PHE QD 1 58 LEU MD2 5.650 . 9.500 3.853 3.036 4.156 . 0 0 "[ . 1]" 1
59 1 40 PHE QE 1 41 ARG HA 4.900 . 8.000 4.124 3.175 7.656 . 0 0 "[ . 1]" 1
60 1 40 PHE QE 1 43 LEU HB2 4.400 . 7.000 6.049 5.854 6.438 . 0 0 "[ . 1]" 1
61 1 40 PHE QE 1 43 LEU MD1 5.650 . 9.500 5.750 4.178 6.027 . 0 0 "[ . 1]" 1
62 1 40 PHE QE 1 44 VAL MG1 5.650 . 9.500 2.498 1.802 6.597 . 0 0 "[ . 1]" 1
63 1 40 PHE QE 1 44 VAL MG2 5.650 . 9.500 3.822 2.355 7.569 . 0 0 "[ . 1]" 1
64 1 40 PHE QE 1 53 GLU QG 5.400 . 9.000 7.954 7.578 8.277 . 0 0 "[ . 1]" 1
65 1 40 PHE QE 1 54 ALA MB 5.650 . 9.500 3.487 3.232 5.123 . 0 0 "[ . 1]" 1
66 1 40 PHE QE 1 55 SER HA 4.900 . 8.000 3.918 3.440 5.662 . 0 0 "[ . 1]" 1
67 1 40 PHE QE 1 58 LEU QB 5.400 . 9.000 4.438 3.880 4.733 . 0 0 "[ . 1]" 1
68 1 40 PHE QE 1 58 LEU MD1 5.650 . 9.500 3.228 2.652 4.500 . 0 0 "[ . 1]" 1
69 1 40 PHE QE 1 58 LEU MD2 5.650 . 9.500 4.917 2.494 5.432 . 0 0 "[ . 1]" 1
70 1 40 PHE QE 1 83 ALA MB 5.650 . 9.500 2.911 1.885 5.848 . 0 0 "[ . 1]" 1
71 1 40 PHE O 1 44 VAL H 1.900 . 2.000 2.004 1.904 2.032 0.032 2 0 "[ . 1]" 1
72 1 40 PHE O 1 44 VAL N 2.400 . 3.000 2.948 2.858 2.980 . 0 0 "[ . 1]" 1
73 1 41 ARG HA 1 44 VAL H 2.650 . 3.500 3.413 3.238 3.538 0.038 7 0 "[ . 1]" 1
74 1 41 ARG HA 1 44 VAL HA 3.900 . 6.000 5.442 5.339 5.507 . 0 0 "[ . 1]" 1
75 1 41 ARG HA 1 44 VAL MG1 4.650 . 7.500 2.949 2.872 3.047 . 0 0 "[ . 1]" 1
76 1 41 ARG HA 1 44 VAL MG2 4.150 . 6.500 1.755 1.740 1.796 0.060 8 0 "[ . 1]" 1
77 1 41 ARG HB2 1 44 VAL MG2 4.150 . 6.500 4.211 4.158 4.241 . 0 0 "[ . 1]" 1
78 1 41 ARG QD 1 44 VAL MG1 5.150 . 8.500 5.944 5.834 6.002 . 0 0 "[ . 1]" 1
79 1 41 ARG QD 1 44 VAL MG2 5.150 . 8.500 4.754 4.686 4.786 . 0 0 "[ . 1]" 1
80 1 41 ARG QD 1 83 ALA MB 4.650 . 7.500 2.995 2.415 3.393 . 0 0 "[ . 1]" 1
81 1 41 ARG O 1 45 LYS H 1.900 . 2.000 1.978 1.879 2.045 0.045 7 0 "[ . 1]" 1
82 1 41 ARG O 1 45 LYS N 2.400 . 3.000 2.794 2.684 2.894 . 0 0 "[ . 1]" 1
83 1 42 VAL HA 1 44 VAL MG2 4.650 . 7.500 4.378 4.115 4.502 . 0 0 "[ . 1]" 1
84 1 42 VAL HA 1 45 LYS H 2.650 . 3.500 3.484 3.336 3.529 0.029 4 0 "[ . 1]" 1
85 1 42 VAL HA 1 46 GLN QB 4.400 . 7.000 4.371 4.342 4.396 . 0 0 "[ . 1]" 1
86 1 42 VAL HA 1 46 GLN QG 4.400 . 7.000 2.927 2.791 3.000 . 0 0 "[ . 1]" 1
87 1 42 VAL HB 1 43 LEU MD1 4.150 . 6.500 3.117 2.861 3.298 . 0 0 "[ . 1]" 1
88 1 42 VAL MG1 1 43 LEU QB 4.150 . 6.500 4.206 4.143 4.282 . 0 0 "[ . 1]" 1
89 1 42 VAL MG2 1 45 LYS QD 5.150 . 8.500 3.046 2.953 3.191 . 0 0 "[ . 1]" 1
90 1 42 VAL MG2 1 46 GLN QG 5.150 . 8.500 3.493 3.443 3.535 . 0 0 "[ . 1]" 1
91 1 42 VAL O 1 46 GLN H 1.900 . 2.000 1.988 1.938 2.016 0.016 9 0 "[ . 1]" 1
92 1 42 VAL O 1 46 GLN N 2.400 . 3.000 2.599 2.530 2.651 . 0 0 "[ . 1]" 1
93 1 43 LEU HA 1 43 LEU MD1 4.150 . 6.500 3.469 3.403 3.549 . 0 0 "[ . 1]" 1
94 1 43 LEU HA 1 45 LYS QG 4.400 . 7.000 4.673 4.575 4.958 . 0 0 "[ . 1]" 1
95 1 43 LEU HA 1 46 GLN H 2.650 . 3.500 3.292 3.140 3.462 . 0 0 "[ . 1]" 1
96 1 43 LEU HA 1 46 GLN QB 4.400 . 7.000 2.641 2.481 2.861 . 0 0 "[ . 1]" 1
97 1 43 LEU HA 1 46 GLN QG 4.400 . 7.000 3.907 3.796 4.009 . 0 0 "[ . 1]" 1
98 1 43 LEU HA 1 48 LYS HA 3.900 . 6.000 4.579 4.478 4.696 . 0 0 "[ . 1]" 1
99 1 43 LEU HA 1 48 LYS QB 4.400 . 7.000 1.812 1.733 1.897 0.067 2 0 "[ . 1]" 1
100 1 43 LEU HA 1 49 ALA MB 4.650 . 7.500 4.164 4.058 4.323 . 0 0 "[ . 1]" 1
101 1 43 LEU HB2 1 44 VAL MG1 4.650 . 7.500 3.333 3.284 3.441 . 0 0 "[ . 1]" 1
102 1 43 LEU HB2 1 44 VAL MG2 4.650 . 7.500 4.578 4.437 4.660 . 0 0 "[ . 1]" 1
103 1 43 LEU HB2 1 54 ALA HA 3.900 . 6.000 3.303 3.198 3.635 . 0 0 "[ . 1]" 1
104 1 43 LEU HB2 1 54 ALA MB 4.150 . 6.500 1.966 1.874 2.285 . 0 0 "[ . 1]" 1
105 1 43 LEU HB3 1 44 VAL MG1 4.650 . 7.500 4.166 4.073 4.237 . 0 0 "[ . 1]" 1
106 1 43 LEU HB3 1 44 VAL MG2 4.650 . 7.500 5.495 5.340 5.607 . 0 0 "[ . 1]" 1
107 1 43 LEU HB3 1 49 ALA HA 3.900 . 6.000 4.027 3.915 4.238 . 0 0 "[ . 1]" 1
108 1 43 LEU HB3 1 54 ALA MB 4.150 . 6.500 2.624 2.428 2.973 . 0 0 "[ . 1]" 1
109 1 43 LEU MD1 1 44 VAL HB 4.650 . 7.500 6.621 6.558 6.678 . 0 0 "[ . 1]" 1
110 1 43 LEU MD1 1 44 VAL MG1 5.400 . 9.000 4.093 4.012 4.212 . 0 0 "[ . 1]" 1
111 1 43 LEU MD1 1 44 VAL MG2 5.400 . 9.000 4.884 4.836 4.928 . 0 0 "[ . 1]" 1
112 1 43 LEU MD1 1 48 LYS QB 4.650 . 7.500 3.563 3.509 3.652 . 0 0 "[ . 1]" 1
113 1 43 LEU MD1 1 49 ALA MB 4.900 . 8.000 3.474 3.387 3.534 . 0 0 "[ . 1]" 1
114 1 43 LEU MD1 1 53 GLU QG 5.150 . 8.500 4.945 4.534 6.122 . 0 0 "[ . 1]" 1
115 1 43 LEU MD1 1 54 ALA HA 4.150 . 6.500 2.957 2.698 3.173 . 0 0 "[ . 1]" 1
116 1 43 LEU MD1 1 54 ALA MB 4.400 . 7.000 2.737 2.704 2.804 . 0 0 "[ . 1]" 1
117 1 43 LEU MD2 1 44 VAL MG1 5.400 . 9.000 4.939 4.859 5.028 . 0 0 "[ . 1]" 1
118 1 43 LEU MD2 1 44 VAL MG2 5.400 . 9.000 6.161 6.083 6.232 . 0 0 "[ . 1]" 1
119 1 43 LEU MD2 1 53 GLU QG 5.150 . 8.500 3.484 3.029 4.770 . 0 0 "[ . 1]" 1
120 1 44 VAL HA 1 49 ALA MB 4.650 . 7.500 4.880 4.832 4.933 . 0 0 "[ . 1]" 1
121 1 44 VAL HB 1 91 PHE QD 4.900 . 8.000 3.721 3.506 3.807 . 0 0 "[ . 1]" 1
122 1 44 VAL HB 1 91 PHE QE 4.900 . 8.000 3.292 2.922 3.572 . 0 0 "[ . 1]" 1
123 1 44 VAL MG1 1 45 LYS QB 5.150 . 8.500 5.047 4.983 5.092 . 0 0 "[ . 1]" 1
124 1 44 VAL MG1 1 45 LYS QD 5.150 . 8.500 6.696 6.631 6.770 . 0 0 "[ . 1]" 1
125 1 44 VAL MG1 1 49 ALA HA 4.650 . 7.500 6.276 6.176 6.328 . 0 0 "[ . 1]" 1
126 1 44 VAL MG1 1 49 ALA MB 5.400 . 9.000 4.255 4.199 4.347 . 0 0 "[ . 1]" 1
127 1 44 VAL MG1 1 50 SER HA 4.650 . 7.500 4.394 4.269 4.615 . 0 0 "[ . 1]" 1
128 1 44 VAL MG1 1 51 PHE HA 4.150 . 6.500 1.786 1.712 1.873 0.088 6 0 "[ . 1]" 1
129 1 44 VAL MG1 1 51 PHE QB 5.150 . 8.500 3.234 3.099 3.355 . 0 0 "[ . 1]" 1
130 1 44 VAL MG1 1 51 PHE QD 5.150 . 8.500 2.263 1.913 2.698 . 0 0 "[ . 1]" 1
131 1 44 VAL MG1 1 54 ALA HA 4.650 . 7.500 4.251 4.142 4.341 . 0 0 "[ . 1]" 1
132 1 44 VAL MG1 1 54 ALA MB 4.900 . 8.000 1.852 1.807 1.927 . 0 0 "[ . 1]" 1
133 1 44 VAL MG1 1 55 SER HA 4.650 . 7.500 4.547 4.383 4.975 . 0 0 "[ . 1]" 1
134 1 44 VAL MG1 1 58 LEU MD1 5.400 . 9.000 5.225 5.161 5.301 . 0 0 "[ . 1]" 1
135 1 44 VAL MG1 1 88 ALA HA 4.650 . 7.500 5.804 5.524 6.023 . 0 0 "[ . 1]" 1
136 1 44 VAL MG1 1 88 ALA MB 5.400 . 9.000 5.791 5.432 5.909 . 0 0 "[ . 1]" 1
137 1 44 VAL MG1 1 91 PHE HA 4.650 . 7.500 6.791 6.733 6.853 . 0 0 "[ . 1]" 1
138 1 44 VAL MG1 1 91 PHE HB2 4.650 . 7.500 5.168 5.085 5.294 . 0 0 "[ . 1]" 1
139 1 44 VAL MG1 1 91 PHE HB3 4.650 . 7.500 5.072 4.949 5.261 . 0 0 "[ . 1]" 1
140 1 44 VAL MG1 1 96 ARG QD 5.150 . 8.500 5.137 4.740 5.331 . 0 0 "[ . 1]" 1
141 1 44 VAL MG2 1 45 LYS QB 5.150 . 8.500 2.696 2.581 2.834 . 0 0 "[ . 1]" 1
142 1 44 VAL MG2 1 45 LYS QD 5.150 . 8.500 4.771 4.668 4.856 . 0 0 "[ . 1]" 1
143 1 44 VAL MG2 1 49 ALA MB 5.400 . 9.000 5.993 5.943 6.025 . 0 0 "[ . 1]" 1
144 1 44 VAL MG2 1 51 PHE HA 4.650 . 7.500 4.206 4.118 4.283 . 0 0 "[ . 1]" 1
145 1 44 VAL MG2 1 51 PHE QB 5.150 . 8.500 4.551 4.509 4.659 . 0 0 "[ . 1]" 1
146 1 44 VAL MG2 1 51 PHE QD 5.650 . 9.500 2.957 2.859 3.309 . 0 0 "[ . 1]" 1
147 1 44 VAL MG2 1 54 ALA HA 4.650 . 7.500 6.309 6.188 6.376 . 0 0 "[ . 1]" 1
148 1 44 VAL MG2 1 54 ALA MB 4.900 . 8.000 3.721 3.645 3.777 . 0 0 "[ . 1]" 1
149 1 44 VAL MG2 1 55 SER HA 4.650 . 7.500 6.323 6.107 6.809 . 0 0 "[ . 1]" 1
150 1 44 VAL MG2 1 58 LEU MD1 5.400 . 9.000 5.880 5.773 5.985 . 0 0 "[ . 1]" 1
151 1 44 VAL MG2 1 87 GLU HA 4.650 . 7.500 5.156 5.032 5.260 . 0 0 "[ . 1]" 1
152 1 44 VAL MG2 1 87 GLU QG 5.150 . 8.500 3.231 2.905 3.377 . 0 0 "[ . 1]" 1
153 1 44 VAL MG2 1 88 ALA HA 4.650 . 7.500 5.945 5.685 6.067 . 0 0 "[ . 1]" 1
154 1 44 VAL MG2 1 88 ALA MB 5.400 . 9.000 6.182 5.902 6.305 . 0 0 "[ . 1]" 1
155 1 44 VAL MG2 1 91 PHE HA 4.650 . 7.500 6.044 5.975 6.106 . 0 0 "[ . 1]" 1
156 1 44 VAL MG2 1 91 PHE HB2 4.650 . 7.500 4.890 4.830 5.064 . 0 0 "[ . 1]" 1
157 1 44 VAL MG2 1 91 PHE HB3 4.650 . 7.500 5.143 5.038 5.408 . 0 0 "[ . 1]" 1
158 1 44 VAL MG2 1 91 PHE QD 5.650 . 9.500 3.605 3.484 3.687 . 0 0 "[ . 1]" 1
159 1 44 VAL MG2 1 91 PHE QE 5.150 . 8.500 2.650 2.521 2.795 . 0 0 "[ . 1]" 1
160 1 45 LYS QG 1 46 GLN QB 4.900 . 8.000 3.620 3.564 3.777 . 0 0 "[ . 1]" 1
161 1 45 LYS QG 1 46 GLN QG 4.900 . 8.000 2.019 1.945 2.242 . 0 0 "[ . 1]" 1
162 1 48 LYS HA 1 48 LYS QE 4.400 . 7.000 3.888 3.731 3.936 . 0 0 "[ . 1]" 1
163 1 48 LYS HA 1 49 ALA HA 3.900 . 6.000 4.524 4.391 4.597 . 0 0 "[ . 1]" 1
164 1 49 ALA HA 1 53 GLU QB 4.400 . 7.000 3.739 3.635 3.899 . 0 0 "[ . 1]" 1
165 1 49 ALA HA 1 53 GLU QG 4.400 . 7.000 4.190 3.279 4.426 . 0 0 "[ . 1]" 1
166 1 49 ALA HA 1 54 ALA MB 4.650 . 7.500 4.848 4.698 5.044 . 0 0 "[ . 1]" 1
167 1 49 ALA MB 1 53 GLU HA 4.650 . 7.500 4.262 4.147 4.332 . 0 0 "[ . 1]" 1
168 1 49 ALA MB 1 54 ALA HA 4.650 . 7.500 3.095 2.947 3.287 . 0 0 "[ . 1]" 1
169 1 49 ALA MB 1 54 ALA MB 4.900 . 8.000 2.403 2.285 2.638 . 0 0 "[ . 1]" 1
170 1 50 SER HA 1 51 PHE HA 3.900 . 6.000 4.298 4.293 4.301 . 0 0 "[ . 1]" 1
171 1 50 SER HA 1 54 ALA MB 4.650 . 7.500 4.483 4.329 4.604 . 0 0 "[ . 1]" 1
172 1 51 PHE HA 1 51 PHE QE 4.400 . 7.000 4.528 4.385 4.573 . 0 0 "[ . 1]" 1
173 1 51 PHE HA 1 54 ALA MB 4.650 . 7.500 2.622 2.477 2.790 . 0 0 "[ . 1]" 1
174 1 51 PHE HA 1 55 SER HA 3.900 . 6.000 5.755 5.441 6.046 0.046 8 0 "[ . 1]" 1
175 1 51 PHE HA 1 96 ARG QD 4.400 . 7.000 5.088 4.695 5.302 . 0 0 "[ . 1]" 1
176 1 51 PHE QD 1 52 GLU HA 4.900 . 8.000 3.858 3.635 4.578 . 0 0 "[ . 1]" 1
177 1 51 PHE QD 1 54 ALA MB 5.650 . 9.500 4.326 4.074 4.447 . 0 0 "[ . 1]" 1
178 1 51 PHE QD 1 88 ALA MB 5.650 . 9.500 4.083 3.938 4.232 . 0 0 "[ . 1]" 1
179 1 51 PHE QD 1 91 PHE HA 4.900 . 8.000 5.165 4.774 5.347 . 0 0 "[ . 1]" 1
180 1 51 PHE QD 1 93 GLU HB3 4.900 . 8.000 3.296 2.849 4.321 . 0 0 "[ . 1]" 1
181 1 51 PHE QD 1 96 ARG QB 5.400 . 9.000 3.063 2.821 3.677 . 0 0 "[ . 1]" 1
182 1 51 PHE QD 1 96 ARG QD 5.400 . 9.000 2.789 1.870 3.642 . 0 0 "[ . 1]" 1
183 1 51 PHE QE 1 52 GLU HA 4.900 . 8.000 5.522 5.165 6.068 . 0 0 "[ . 1]" 1
184 1 52 GLU HA 1 55 SER H 2.650 . 3.500 3.625 3.562 3.671 0.171 6 0 "[ . 1]" 1
185 1 52 GLU HA 1 55 SER HA 3.900 . 6.000 5.679 5.522 5.827 . 0 0 "[ . 1]" 1
186 1 52 GLU HA 1 55 SER QB 4.400 . 7.000 3.473 2.917 3.884 . 0 0 "[ . 1]" 1
187 1 52 GLU HA 1 56 ASN HA 3.900 . 6.000 5.818 5.695 6.209 0.209 8 0 "[ . 1]" 1
188 1 52 GLU O 1 56 ASN H 1.900 . 2.000 1.904 1.825 1.959 . 0 0 "[ . 1]" 1
189 1 52 GLU O 1 56 ASN N 2.400 . 3.000 2.755 2.654 2.837 . 0 0 "[ . 1]" 1
190 1 53 GLU HA 1 56 ASN H 2.650 . 3.500 3.371 3.159 3.488 . 0 0 "[ . 1]" 1
191 1 53 GLU HA 1 56 ASN HB2 3.400 . 5.000 2.019 1.970 2.111 . 0 0 "[ . 1]" 1
192 1 53 GLU HA 1 56 ASN HB3 3.400 . 5.000 3.409 3.370 3.472 . 0 0 "[ . 1]" 1
193 1 53 GLU QG 1 54 ALA MB 5.150 . 8.500 4.042 3.886 4.093 . 0 0 "[ . 1]" 1
194 1 53 GLU QG 1 56 ASN HB2 4.400 . 7.000 3.738 3.316 4.671 . 0 0 "[ . 1]" 1
195 1 53 GLU QG 1 56 ASN HB3 4.400 . 7.000 4.560 4.051 5.912 . 0 0 "[ . 1]" 1
196 1 53 GLU O 1 57 GLN H 1.900 . 2.000 1.953 1.826 2.040 0.040 10 0 "[ . 1]" 1
197 1 53 GLU O 1 57 GLN N 2.400 . 3.000 2.823 2.676 2.919 . 0 0 "[ . 1]" 1
198 1 54 ALA HA 1 55 SER HA 3.900 . 6.000 4.746 4.692 4.763 . 0 0 "[ . 1]" 1
199 1 54 ALA HA 1 57 GLN H 2.650 . 3.500 3.442 3.379 3.551 0.051 8 0 "[ . 1]" 1
200 1 54 ALA MB 1 55 SER HA 4.650 . 7.500 3.803 3.780 3.826 . 0 0 "[ . 1]" 1
201 1 54 ALA MB 1 55 SER QB 5.150 . 8.500 4.038 3.732 4.419 . 0 0 "[ . 1]" 1
202 1 54 ALA MB 1 58 LEU MD1 5.400 . 9.000 5.222 5.026 5.443 . 0 0 "[ . 1]" 1
203 1 54 ALA O 1 58 LEU H 1.900 . 2.000 2.073 2.020 2.130 0.130 6 0 "[ . 1]" 1
204 1 54 ALA O 1 58 LEU N 2.400 . 3.000 2.921 2.773 2.997 . 0 0 "[ . 1]" 1
205 1 55 SER HA 1 58 LEU H 2.650 . 3.500 3.111 3.016 3.220 . 0 0 "[ . 1]" 1
206 1 55 SER HA 1 58 LEU QB 4.400 . 7.000 2.276 2.141 2.397 . 0 0 "[ . 1]" 1
207 1 55 SER HA 1 58 LEU MD1 4.650 . 7.500 3.223 3.087 3.597 . 0 0 "[ . 1]" 1
208 1 55 SER HA 1 58 LEU MD2 4.650 . 7.500 4.877 4.757 5.053 . 0 0 "[ . 1]" 1
209 1 55 SER HA 1 59 ILE MD 4.650 . 7.500 3.952 3.497 4.109 . 0 0 "[ . 1]" 1
210 1 55 SER QB 1 58 LEU QB 4.900 . 8.000 3.611 3.521 3.687 . 0 0 "[ . 1]" 1
211 1 55 SER QB 1 58 LEU MD1 5.150 . 8.500 3.926 3.723 4.158 . 0 0 "[ . 1]" 1
212 1 55 SER QB 1 58 LEU MD2 5.150 . 8.500 5.668 5.564 5.801 . 0 0 "[ . 1]" 1
213 1 55 SER QB 1 59 ILE MD 5.150 . 8.500 2.642 2.117 2.845 . 0 0 "[ . 1]" 1
214 1 55 SER QB 1 59 ILE QG 4.900 . 8.000 3.501 3.330 3.617 . 0 0 "[ . 1]" 1
215 1 55 SER QB 1 59 ILE MG 5.150 . 8.500 5.533 5.095 5.671 . 0 0 "[ . 1]" 1
216 1 55 SER O 1 59 ILE H 1.900 . 2.000 1.840 1.704 1.913 0.096 8 0 "[ . 1]" 1
217 1 55 SER O 1 59 ILE N 2.400 . 3.000 2.810 2.658 2.887 . 0 0 "[ . 1]" 1
218 1 56 ASN HA 1 59 ILE H 2.650 . 3.500 3.659 3.603 3.784 0.284 8 0 "[ . 1]" 1
219 1 56 ASN HA 1 59 ILE HA 3.900 . 6.000 5.884 5.765 6.014 0.014 8 0 "[ . 1]" 1
220 1 56 ASN HA 1 59 ILE HB 3.900 . 6.000 3.525 3.408 3.730 . 0 0 "[ . 1]" 1
221 1 56 ASN HA 1 59 ILE MD 4.150 . 6.500 2.172 1.951 2.493 . 0 0 "[ . 1]" 1
222 1 56 ASN O 1 60 ASN H 1.900 . 2.000 1.984 1.855 2.046 0.046 7 0 "[ . 1]" 1
223 1 56 ASN O 1 60 ASN N 2.400 . 3.000 2.844 2.726 2.905 . 0 0 "[ . 1]" 1
224 1 57 GLN HA 1 60 ASN H 2.650 . 3.500 3.466 3.387 3.518 0.018 7 0 "[ . 1]" 1
225 1 57 GLN HA 1 60 ASN HB2 3.400 . 5.000 2.022 1.979 2.090 . 0 0 "[ . 1]" 1
226 1 57 GLN HA 1 60 ASN HB3 3.400 . 5.000 3.355 3.308 3.397 . 0 0 "[ . 1]" 1
227 1 57 GLN O 1 61 HIS H 1.900 . 2.000 1.927 1.850 1.988 . 0 0 "[ . 1]" 1
228 1 57 GLN O 1 61 HIS N 2.400 . 3.000 2.849 2.764 2.902 . 0 0 "[ . 1]" 1
229 1 58 LEU HA 1 61 HIS H 2.650 . 3.500 3.603 3.578 3.630 0.130 8 0 "[ . 1]" 1
230 1 58 LEU HA 1 61 HIS HD2 3.900 . 6.000 6.034 6.016 6.075 0.075 10 0 "[ . 1]" 1
231 1 58 LEU QB 1 59 ILE MD 5.150 . 8.500 3.775 3.268 3.884 . 0 0 "[ . 1]" 1
232 1 58 LEU MD1 1 59 ILE HA 4.650 . 7.500 4.376 4.229 4.485 . 0 0 "[ . 1]" 1
233 1 58 LEU MD1 1 59 ILE MD 5.400 . 9.000 4.524 4.134 4.670 . 0 0 "[ . 1]" 1
234 1 58 LEU MD1 1 59 ILE MG 5.400 . 9.000 5.090 4.868 5.291 . 0 0 "[ . 1]" 1
235 1 58 LEU MD1 1 62 ILE HA 4.650 . 7.500 6.825 6.786 6.901 . 0 0 "[ . 1]" 1
236 1 58 LEU MD1 1 62 ILE HB 4.650 . 7.500 5.628 5.501 5.693 . 0 0 "[ . 1]" 1
237 1 58 LEU MD1 1 62 ILE MD 4.900 . 8.000 4.102 2.853 4.284 . 0 0 "[ . 1]" 1
238 1 58 LEU MD1 1 62 ILE MG 5.400 . 9.000 5.452 5.339 5.529 . 0 0 "[ . 1]" 1
239 1 58 LEU MD1 1 77 SER HA 4.650 . 7.500 6.019 5.962 6.108 . 0 0 "[ . 1]" 1
240 1 58 LEU MD1 1 80 CYS HA 4.650 . 7.500 3.196 3.063 3.333 . 0 0 "[ . 1]" 1
241 1 58 LEU MD1 1 80 CYS HB2 4.650 . 7.500 2.570 2.336 2.645 . 0 0 "[ . 1]" 1
242 1 58 LEU MD1 1 81 ILE HA 4.650 . 7.500 3.797 3.585 3.929 . 0 0 "[ . 1]" 1
243 1 58 LEU MD1 1 81 ILE HB 4.650 . 7.500 5.899 5.720 6.014 . 0 0 "[ . 1]" 1
244 1 58 LEU MD1 1 81 ILE MD 5.400 . 9.000 5.079 4.750 5.663 . 0 0 "[ . 1]" 1
245 1 58 LEU MD1 1 81 ILE MG 5.400 . 9.000 5.370 5.221 5.496 . 0 0 "[ . 1]" 1
246 1 58 LEU MD1 1 83 ALA MB 4.900 . 8.000 2.297 2.196 2.448 . 0 0 "[ . 1]" 1
247 1 58 LEU MD1 1 85 ARG HA 4.650 . 7.500 6.718 6.548 6.926 . 0 0 "[ . 1]" 1
248 1 58 LEU MD1 1 85 ARG QD 5.150 . 8.500 6.933 6.789 7.153 . 0 0 "[ . 1]" 1
249 1 58 LEU MD2 1 59 ILE HA 4.650 . 7.500 3.523 3.401 3.778 . 0 0 "[ . 1]" 1
250 1 58 LEU MD2 1 62 ILE MD 5.400 . 9.000 2.755 2.067 2.897 . 0 0 "[ . 1]" 1
251 1 58 LEU MD2 1 77 SER HA 4.650 . 7.500 4.970 4.923 5.074 . 0 0 "[ . 1]" 1
252 1 58 LEU MD2 1 80 CYS HA 4.650 . 7.500 3.409 3.294 3.482 . 0 0 "[ . 1]" 1
253 1 58 LEU MD2 1 80 CYS HB2 4.650 . 7.500 1.802 1.744 1.886 0.056 5 0 "[ . 1]" 1
254 1 58 LEU MD2 1 80 CYS HB3 4.150 . 6.500 3.026 2.158 3.146 . 0 0 "[ . 1]" 1
255 1 58 LEU MD2 1 83 ALA MB 4.900 . 8.000 3.748 3.710 3.888 . 0 0 "[ . 1]" 1
256 1 58 LEU O 1 62 ILE H 1.900 . 2.000 2.055 2.027 2.085 0.085 8 0 "[ . 1]" 1
257 1 58 LEU O 1 62 ILE N 2.400 . 3.000 2.956 2.915 3.007 0.007 10 0 "[ . 1]" 1
258 1 59 ILE HA 1 61 HIS HE1 3.900 . 6.000 6.057 6.027 6.072 0.072 7 0 "[ . 1]" 1
259 1 59 ILE HA 1 62 ILE H 2.650 . 3.500 3.228 3.163 3.275 . 0 0 "[ . 1]" 1
260 1 59 ILE HA 1 62 ILE HA 3.900 . 6.000 4.902 4.803 4.998 . 0 0 "[ . 1]" 1
261 1 59 ILE HA 1 62 ILE HB 3.900 . 6.000 2.173 2.058 2.228 . 0 0 "[ . 1]" 1
262 1 59 ILE HA 1 62 ILE MD 4.650 . 7.500 3.925 1.881 4.190 . 0 0 "[ . 1]" 1
263 1 59 ILE HA 1 62 ILE MG 4.650 . 7.500 3.493 3.386 3.622 . 0 0 "[ . 1]" 1
264 1 59 ILE HA 1 81 ILE HA 3.900 . 6.000 6.267 6.179 6.358 0.358 10 0 "[ . 1]" 1
265 1 59 ILE HB 1 104 LEU HA 3.900 . 6.000 6.064 6.014 6.133 0.133 5 0 "[ . 1]" 1
266 1 59 ILE MD 1 62 ILE MG 5.400 . 9.000 5.829 5.702 5.897 . 0 0 "[ . 1]" 1
267 1 59 ILE MD 1 81 ILE HA 4.650 . 7.500 6.012 5.801 6.166 . 0 0 "[ . 1]" 1
268 1 59 ILE MD 1 81 ILE MG 4.900 . 8.000 6.407 6.135 6.538 . 0 0 "[ . 1]" 1
269 1 59 ILE MD 1 96 ARG QD 5.150 . 8.500 3.729 3.299 4.036 . 0 0 "[ . 1]" 1
270 1 59 ILE MD 1 100 PHE HA 4.650 . 7.500 2.816 2.439 3.899 . 0 0 "[ . 1]" 1
271 1 59 ILE MD 1 100 PHE QB 5.150 . 8.500 2.151 1.894 2.728 . 0 0 "[ . 1]" 1
272 1 59 ILE QG 1 96 ARG QD 4.900 . 8.000 5.120 4.744 5.431 . 0 0 "[ . 1]" 1
273 1 59 ILE MG 1 100 PHE HA 4.150 . 6.500 3.720 3.411 4.325 . 0 0 "[ . 1]" 1
274 1 59 ILE O 1 63 GLU H 1.900 . 2.000 2.006 1.971 2.024 0.024 3 0 "[ . 1]" 1
275 1 59 ILE O 1 63 GLU N 2.400 . 3.000 2.665 2.585 2.740 . 0 0 "[ . 1]" 1
276 1 60 ASN HA 1 60 ASN HB2 2.900 . 4.000 2.971 2.965 2.982 . 0 0 "[ . 1]" 1
277 1 60 ASN HA 1 63 GLU H 2.650 . 3.500 3.108 3.058 3.165 . 0 0 "[ . 1]" 1
278 1 60 ASN HA 1 63 GLU QG 4.400 . 7.000 2.700 2.545 2.866 . 0 0 "[ . 1]" 1
279 1 60 ASN O 1 64 GLN H 1.900 . 2.000 2.058 2.024 2.081 0.081 2 0 "[ . 1]" 1
280 1 60 ASN O 1 64 GLN N 2.400 . 3.000 2.967 2.923 3.004 0.004 2 0 "[ . 1]" 1
281 1 61 HIS HA 1 61 HIS HD2 3.900 . 6.000 3.991 3.880 4.081 . 0 0 "[ . 1]" 1
282 1 61 HIS HA 1 61 HIS HE1 3.900 . 6.000 6.065 6.054 6.086 0.086 7 0 "[ . 1]" 1
283 1 61 HIS HA 1 64 GLN H 2.650 . 3.500 3.239 3.177 3.287 . 0 0 "[ . 1]" 1
284 1 61 HIS HB3 1 61 HIS HD2 3.900 . 6.000 3.805 3.773 3.821 . 0 0 "[ . 1]" 1
285 1 61 HIS O 1 65 PHE H 1.900 . 2.000 2.087 2.068 2.112 0.112 4 0 "[ . 1]" 1
286 1 61 HIS O 1 65 PHE N 2.400 . 3.000 3.059 3.041 3.076 0.076 4 0 "[ . 1]" 1
287 1 62 ILE HA 1 65 PHE H 2.650 . 3.500 3.401 3.344 3.453 . 0 0 "[ . 1]" 1
288 1 62 ILE HA 1 65 PHE HA 3.900 . 6.000 5.349 5.302 5.386 . 0 0 "[ . 1]" 1
289 1 62 ILE HA 1 65 PHE QB 4.400 . 7.000 2.523 2.478 2.591 . 0 0 "[ . 1]" 1
290 1 62 ILE HA 1 65 PHE QD 4.900 . 8.000 2.297 2.114 2.482 . 0 0 "[ . 1]" 1
291 1 62 ILE HA 1 65 PHE QE 4.900 . 8.000 4.435 4.249 4.628 . 0 0 "[ . 1]" 1
292 1 62 ILE HA 1 66 LEU MD2 4.650 . 7.500 5.505 5.427 5.581 . 0 0 "[ . 1]" 1
293 1 62 ILE HA 1 77 SER HA 3.900 . 6.000 4.958 4.864 5.045 . 0 0 "[ . 1]" 1
294 1 62 ILE HB 1 66 LEU MD2 4.650 . 7.500 5.950 5.899 6.010 . 0 0 "[ . 1]" 1
295 1 62 ILE MD 1 66 LEU MD2 5.400 . 9.000 5.109 4.984 5.733 . 0 0 "[ . 1]" 1
296 1 62 ILE MD 1 77 SER HA 4.650 . 7.500 2.088 1.895 3.434 . 0 0 "[ . 1]" 1
297 1 62 ILE MD 1 77 SER HB3 4.650 . 7.500 3.379 3.132 4.875 . 0 0 "[ . 1]" 1
298 1 62 ILE MD 1 80 CYS HA 4.650 . 7.500 4.335 4.272 4.410 . 0 0 "[ . 1]" 1
299 1 62 ILE MD 1 80 CYS HB2 4.650 . 7.500 2.627 2.101 2.757 . 0 0 "[ . 1]" 1
300 1 62 ILE MD 1 83 ALA MB 5.400 . 9.000 5.406 5.046 5.488 . 0 0 "[ . 1]" 1
301 1 62 ILE MG 1 65 PHE HA 4.650 . 7.500 5.957 5.937 5.982 . 0 0 "[ . 1]" 1
302 1 62 ILE MG 1 65 PHE QB 5.150 . 8.500 3.693 3.660 3.723 . 0 0 "[ . 1]" 1
303 1 62 ILE MG 1 65 PHE QE 5.650 . 9.500 2.492 2.276 2.650 . 0 0 "[ . 1]" 1
304 1 62 ILE MG 1 66 LEU HA 4.650 . 7.500 4.754 4.582 4.826 . 0 0 "[ . 1]" 1
305 1 62 ILE MG 1 66 LEU HB2 4.150 . 6.500 3.585 3.261 3.640 . 0 0 "[ . 1]" 1
306 1 62 ILE MG 1 66 LEU HB3 4.150 . 6.500 4.569 4.299 4.636 . 0 0 "[ . 1]" 1
307 1 62 ILE MG 1 66 LEU MD1 4.900 . 8.000 2.196 2.087 2.339 . 0 0 "[ . 1]" 1
308 1 62 ILE MG 1 66 LEU MD2 4.900 . 8.000 3.454 3.404 3.496 . 0 0 "[ . 1]" 1
309 1 62 ILE MG 1 66 LEU HG 4.650 . 7.500 2.431 2.271 2.487 . 0 0 "[ . 1]" 1
310 1 62 ILE MG 1 77 SER HA 4.650 . 7.500 3.459 3.311 3.579 . 0 0 "[ . 1]" 1
311 1 62 ILE MG 1 77 SER HB2 4.650 . 7.500 2.140 2.063 2.244 . 0 0 "[ . 1]" 1
312 1 62 ILE MG 1 77 SER HB3 4.650 . 7.500 3.315 3.179 3.436 . 0 0 "[ . 1]" 1
313 1 62 ILE O 1 66 LEU H 1.900 . 2.000 1.790 1.772 1.805 0.028 10 0 "[ . 1]" 1
314 1 62 ILE O 1 66 LEU N 2.400 . 3.000 2.726 2.685 2.743 . 0 0 "[ . 1]" 1
315 1 63 GLU HA 1 66 LEU H 2.650 . 3.500 3.196 3.131 3.245 . 0 0 "[ . 1]" 1
316 1 63 GLU HA 1 66 LEU HB2 3.900 . 6.000 2.040 1.993 2.078 . 0 0 "[ . 1]" 1
317 1 63 GLU HA 1 66 LEU HB3 3.900 . 6.000 3.608 3.481 3.650 . 0 0 "[ . 1]" 1
318 1 63 GLU HA 1 66 LEU MD1 4.150 . 6.500 2.741 2.565 3.095 . 0 0 "[ . 1]" 1
319 1 63 GLU HA 1 66 LEU MD2 4.650 . 7.500 4.723 4.660 4.842 . 0 0 "[ . 1]" 1
320 1 63 GLU HA 1 66 LEU HG 3.900 . 6.000 3.758 3.655 3.987 . 0 0 "[ . 1]" 1
321 1 63 GLU QG 1 66 LEU MD1 5.150 . 8.500 3.268 3.134 3.466 . 0 0 "[ . 1]" 1
322 1 63 GLU QG 1 66 LEU MD2 5.150 . 8.500 5.548 5.463 5.635 . 0 0 "[ . 1]" 1
323 1 63 GLU O 1 67 ASP H 1.900 . 2.000 2.026 2.016 2.033 0.033 1 0 "[ . 1]" 1
324 1 63 GLU O 1 67 ASP N 2.400 . 3.000 2.642 2.599 2.664 . 0 0 "[ . 1]" 1
325 1 64 GLN HA 1 65 PHE HA 3.900 . 6.000 4.790 4.771 4.801 . 0 0 "[ . 1]" 1
326 1 64 GLN HA 1 67 ASP H 2.650 . 3.500 3.430 3.369 3.525 0.025 10 0 "[ . 1]" 1
327 1 64 GLN HA 1 67 ASP QB 3.900 . 6.000 2.555 2.482 2.590 . 0 0 "[ . 1]" 1
328 1 64 GLN QG 1 67 ASP QB 4.900 . 8.000 3.806 3.505 4.282 . 0 0 "[ . 1]" 1
329 1 64 GLN O 1 68 THR H 1.900 . 2.000 2.180 2.153 2.208 0.208 3 0 "[ . 1]" 1
330 1 64 GLN O 1 68 THR N 2.400 . 3.000 3.049 3.015 3.077 0.077 3 0 "[ . 1]" 1
331 1 65 PHE HA 1 65 PHE QD 3.900 . 6.000 2.932 2.898 2.969 . 0 0 "[ . 1]" 1
332 1 65 PHE HA 1 65 PHE QE 3.900 . 6.000 5.066 5.025 5.104 . 0 0 "[ . 1]" 1
333 1 65 PHE HA 1 66 LEU MD2 4.650 . 7.500 5.753 5.705 5.808 . 0 0 "[ . 1]" 1
334 1 65 PHE HA 1 68 THR HB 3.900 . 6.000 3.055 2.964 3.127 . 0 0 "[ . 1]" 1
335 1 65 PHE HA 1 68 THR MG 4.150 . 6.500 2.389 2.137 2.565 . 0 0 "[ . 1]" 1
336 1 65 PHE HA 1 73 TYR QB 3.900 . 6.000 4.367 4.234 4.490 . 0 0 "[ . 1]" 1
337 1 65 PHE HA 1 73 TYR QD 4.400 . 7.000 3.831 3.700 3.962 . 0 0 "[ . 1]" 1
338 1 65 PHE QB 1 68 THR MG 5.150 . 8.500 3.333 3.157 3.429 . 0 0 "[ . 1]" 1
339 1 65 PHE QB 1 73 TYR QB 4.900 . 8.000 2.696 2.535 2.851 . 0 0 "[ . 1]" 1
340 1 65 PHE QB 1 73 TYR QD 5.400 . 9.000 3.019 2.903 3.082 . 0 0 "[ . 1]" 1
341 1 65 PHE QD 1 66 LEU HA 4.900 . 8.000 3.701 3.682 3.717 . 0 0 "[ . 1]" 1
342 1 65 PHE QD 1 66 LEU MD1 5.650 . 9.500 3.990 3.934 4.097 . 0 0 "[ . 1]" 1
343 1 65 PHE QE 1 66 LEU HA 4.900 . 8.000 3.656 3.574 3.734 . 0 0 "[ . 1]" 1
344 1 65 PHE QE 1 66 LEU MD1 5.650 . 9.500 3.433 3.309 3.560 . 0 0 "[ . 1]" 1
345 1 65 PHE QE 1 66 LEU MD2 5.650 . 9.500 2.506 2.401 2.657 . 0 0 "[ . 1]" 1
346 1 65 PHE QE 1 68 THR HB 4.900 . 8.000 6.191 6.121 6.272 . 0 0 "[ . 1]" 1
347 1 66 LEU HA 1 66 LEU MD2 4.150 . 6.500 1.832 1.777 1.855 0.023 10 0 "[ . 1]" 1
348 1 66 LEU HA 1 66 LEU HG 3.900 . 6.000 2.871 2.839 2.910 . 0 0 "[ . 1]" 1
349 1 66 LEU HA 1 74 PHE QD 4.900 . 8.000 6.989 6.804 7.120 . 0 0 "[ . 1]" 1
350 1 66 LEU HA 1 113 LEU MD1 4.650 . 7.500 2.278 2.099 2.636 . 0 0 "[ . 1]" 1
351 1 66 LEU HA 1 113 LEU HG 3.900 . 6.000 3.468 3.034 3.757 . 0 0 "[ . 1]" 1
352 1 66 LEU HB2 1 113 LEU HG 3.900 . 6.000 3.863 3.626 4.042 . 0 0 "[ . 1]" 1
353 1 66 LEU HB3 1 113 LEU HG 3.900 . 6.000 2.117 1.896 2.325 . 0 0 "[ . 1]" 1
354 1 66 LEU MD1 1 67 ASP HA 4.650 . 7.500 6.026 6.005 6.039 . 0 0 "[ . 1]" 1
355 1 66 LEU MD1 1 74 PHE QD 5.650 . 9.500 6.706 6.592 6.785 . 0 0 "[ . 1]" 1
356 1 66 LEU MD1 1 77 SER HA 4.650 . 7.500 6.042 6.007 6.071 . 0 0 "[ . 1]" 1
357 1 66 LEU MD1 1 77 SER HB2 4.650 . 7.500 4.123 4.062 4.168 . 0 0 "[ . 1]" 1
358 1 66 LEU MD1 1 77 SER HB3 4.650 . 7.500 4.956 4.892 5.001 . 0 0 "[ . 1]" 1
359 1 66 LEU MD1 1 81 ILE MD 5.400 . 9.000 4.448 4.251 4.518 . 0 0 "[ . 1]" 1
360 1 66 LEU MD1 1 104 LEU HA 4.650 . 7.500 4.327 4.065 4.451 . 0 0 "[ . 1]" 1
361 1 66 LEU MD1 1 104 LEU MD2 4.900 . 8.000 4.769 4.648 4.939 . 0 0 "[ . 1]" 1
362 1 66 LEU MD1 1 104 LEU HG 4.650 . 7.500 6.021 5.832 6.098 . 0 0 "[ . 1]" 1
363 1 66 LEU MD1 1 107 LYS QE 5.150 . 8.500 2.272 1.891 3.223 . 0 0 "[ . 1]" 1
364 1 66 LEU MD1 1 108 VAL HA 4.650 . 7.500 4.346 3.903 4.621 . 0 0 "[ . 1]" 1
365 1 66 LEU MD1 1 108 VAL MG2 5.400 . 9.000 5.289 5.111 5.381 . 0 0 "[ . 1]" 1
366 1 66 LEU MD1 1 113 LEU HB2 4.650 . 7.500 3.942 3.522 4.084 . 0 0 "[ . 1]" 1
367 1 66 LEU MD1 1 113 LEU HB3 4.650 . 7.500 3.592 3.412 3.640 . 0 0 "[ . 1]" 1
368 1 66 LEU MD1 1 113 LEU MD1 5.400 . 9.000 3.776 3.641 4.079 . 0 0 "[ . 1]" 1
369 1 66 LEU MD1 1 113 LEU HG 4.150 . 6.500 3.111 2.762 3.268 . 0 0 "[ . 1]" 1
370 1 66 LEU MD1 1 116 PHE HA 4.650 . 7.500 5.991 5.921 6.024 . 0 0 "[ . 1]" 1
371 1 66 LEU MD1 1 116 PHE QB 5.150 . 8.500 3.767 3.723 3.808 . 0 0 "[ . 1]" 1
372 1 66 LEU MD2 1 67 ASP HA 4.650 . 7.500 5.555 5.493 5.604 . 0 0 "[ . 1]" 1
373 1 66 LEU MD2 1 71 THR HB 4.650 . 7.500 6.748 6.694 6.790 . 0 0 "[ . 1]" 1
374 1 66 LEU MD2 1 71 THR MG 5.400 . 9.000 5.055 4.928 5.142 . 0 0 "[ . 1]" 1
375 1 66 LEU MD2 1 74 PHE HA 4.650 . 7.500 3.765 3.690 3.818 . 0 0 "[ . 1]" 1
376 1 66 LEU MD2 1 74 PHE HB2 4.650 . 7.500 3.617 3.502 3.664 . 0 0 "[ . 1]" 1
377 1 66 LEU MD2 1 74 PHE HB3 4.650 . 7.500 4.190 4.061 4.280 . 0 0 "[ . 1]" 1
378 1 66 LEU MD2 1 74 PHE QD 5.150 . 8.500 4.762 4.618 4.851 . 0 0 "[ . 1]" 1
379 1 66 LEU MD2 1 77 SER HA 4.650 . 7.500 6.035 6.015 6.058 . 0 0 "[ . 1]" 1
380 1 66 LEU MD2 1 77 SER HB2 4.650 . 7.500 4.136 4.111 4.165 . 0 0 "[ . 1]" 1
381 1 66 LEU MD2 1 77 SER HB3 4.650 . 7.500 4.125 4.110 4.149 . 0 0 "[ . 1]" 1
382 1 66 LEU MD2 1 107 LYS QE 5.150 . 8.500 4.414 3.406 5.385 . 0 0 "[ . 1]" 1
383 1 66 LEU MD2 1 108 VAL HA 4.650 . 7.500 4.892 4.483 5.198 . 0 0 "[ . 1]" 1
384 1 66 LEU MD2 1 108 VAL MG2 5.400 . 9.000 5.635 5.388 5.757 . 0 0 "[ . 1]" 1
385 1 66 LEU MD2 1 113 LEU HA 4.650 . 7.500 3.859 3.745 3.949 . 0 0 "[ . 1]" 1
386 1 66 LEU MD2 1 113 LEU HB2 4.650 . 7.500 3.274 2.944 3.447 . 0 0 "[ . 1]" 1
387 1 66 LEU MD2 1 113 LEU HB3 4.650 . 7.500 2.154 2.006 2.283 . 0 0 "[ . 1]" 1
388 1 66 LEU MD2 1 113 LEU MD1 4.900 . 8.000 1.937 1.825 2.245 . 0 0 "[ . 1]" 1
389 1 66 LEU MD2 1 113 LEU HG 4.150 . 6.500 2.194 1.963 2.442 . 0 0 "[ . 1]" 1
390 1 66 LEU MD2 1 115 HIS QB 5.150 . 8.500 5.279 5.186 5.322 . 0 0 "[ . 1]" 1
391 1 66 LEU MD2 1 116 PHE HA 4.650 . 7.500 4.399 4.373 4.422 . 0 0 "[ . 1]" 1
392 1 66 LEU MD2 1 116 PHE QB 5.150 . 8.500 2.349 2.290 2.407 . 0 0 "[ . 1]" 1
393 1 66 LEU HG 1 113 LEU HG 3.900 . 6.000 4.452 4.129 4.656 . 0 0 "[ . 1]" 1
394 1 67 ASP HA 1 113 LEU MD1 4.650 . 7.500 4.248 4.204 4.309 . 0 0 "[ . 1]" 1
395 1 67 ASP HA 1 113 LEU HG 3.900 . 6.000 5.074 4.933 5.225 . 0 0 "[ . 1]" 1
396 1 68 THR HA 1 69 ASN HB2 3.900 . 6.000 4.570 4.502 4.618 . 0 0 "[ . 1]" 1
397 1 68 THR HA 1 69 ASN HB3 3.900 . 6.000 5.757 5.750 5.762 . 0 0 "[ . 1]" 1
398 1 68 THR HB 1 73 TYR QB 4.400 . 7.000 6.034 6.009 6.067 . 0 0 "[ . 1]" 1
399 1 68 THR MG 1 69 ASN HA 4.150 . 6.500 3.455 3.362 3.544 . 0 0 "[ . 1]" 1
400 1 68 THR MG 1 69 ASN HB2 4.650 . 7.500 4.352 4.305 4.386 . 0 0 "[ . 1]" 1
401 1 68 THR MG 1 69 ASN HB3 4.650 . 7.500 4.940 4.881 4.980 . 0 0 "[ . 1]" 1
402 1 68 THR MG 1 70 GLU QG 5.150 . 8.500 2.043 1.945 2.147 . 0 0 "[ . 1]" 1
403 1 68 THR MG 1 73 TYR QB 5.150 . 8.500 3.698 3.633 3.745 . 0 0 "[ . 1]" 1
404 1 68 THR MG 1 73 TYR QD 5.150 . 8.500 2.701 2.548 2.839 . 0 0 "[ . 1]" 1
405 1 68 THR MG 1 73 TYR QE 5.150 . 8.500 3.556 3.334 3.848 . 0 0 "[ . 1]" 1
406 1 69 ASN HA 1 113 LEU MD1 4.650 . 7.500 4.164 3.959 4.439 . 0 0 "[ . 1]" 1
407 1 70 GLU HA 1 71 THR HB 3.900 . 6.000 5.758 5.746 5.769 . 0 0 "[ . 1]" 1
408 1 70 GLU HA 1 71 THR MG 4.650 . 7.500 3.825 3.764 3.931 . 0 0 "[ . 1]" 1
409 1 70 GLU QB 1 72 PRO QD 4.900 . 8.000 1.967 1.912 2.086 . 0 0 "[ . 1]" 1
410 1 70 GLU QG 1 73 TYR QD 4.900 . 8.000 3.698 3.603 3.770 . 0 0 "[ . 1]" 1
411 1 71 THR HB 1 72 PRO HA 3.900 . 6.000 4.689 4.555 4.776 . 0 0 "[ . 1]" 1
412 1 71 THR HB 1 72 PRO QG 4.400 . 7.000 5.554 5.383 5.629 . 0 0 "[ . 1]" 1
413 1 71 THR HB 1 74 PHE HA 3.900 . 6.000 5.390 5.360 5.468 . 0 0 "[ . 1]" 1
414 1 71 THR HB 1 74 PHE HB2 3.900 . 6.000 4.371 4.325 4.456 . 0 0 "[ . 1]" 1
415 1 71 THR HB 1 74 PHE QD 4.900 . 8.000 2.789 2.698 2.890 . 0 0 "[ . 1]" 1
416 1 71 THR HB 1 74 PHE QE 4.900 . 8.000 3.168 3.099 3.230 . 0 0 "[ . 1]" 1
417 1 71 THR HB 1 75 MET QG 4.400 . 7.000 3.897 3.828 3.995 . 0 0 "[ . 1]" 1
418 1 71 THR HB 1 116 PHE QB 4.400 . 7.000 6.410 6.248 6.627 . 0 0 "[ . 1]" 1
419 1 71 THR HB 1 119 ILE MD 4.650 . 7.500 4.733 4.681 4.778 . 0 0 "[ . 1]" 1
420 1 71 THR MG 1 74 PHE HA 4.650 . 7.500 5.055 5.036 5.074 . 0 0 "[ . 1]" 1
421 1 71 THR MG 1 74 PHE HB2 4.650 . 7.500 3.692 3.665 3.718 . 0 0 "[ . 1]" 1
422 1 71 THR MG 1 74 PHE HB3 4.650 . 7.500 2.739 2.721 2.760 . 0 0 "[ . 1]" 1
423 1 71 THR MG 1 75 MET QG 4.650 . 7.500 5.016 4.962 5.095 . 0 0 "[ . 1]" 1
424 1 71 THR MG 1 115 HIS QB 5.150 . 8.500 3.373 3.281 3.525 . 0 0 "[ . 1]" 1
425 1 71 THR MG 1 119 ILE MD 4.900 . 8.000 4.721 4.625 4.771 . 0 0 "[ . 1]" 1
426 1 71 THR MG 1 119 ILE QG 4.650 . 7.500 6.103 6.046 6.151 . 0 0 "[ . 1]" 1
427 1 71 THR MG 1 119 ILE MG 5.400 . 9.000 4.839 4.730 5.038 . 0 0 "[ . 1]" 1
428 1 72 PRO HA 1 72 PRO QD 3.900 . 6.000 3.292 3.221 3.345 . 0 0 "[ . 1]" 1
429 1 72 PRO HA 1 73 TYR HA 3.900 . 6.000 4.707 4.685 4.725 . 0 0 "[ . 1]" 1
430 1 72 PRO HA 1 73 TYR QD 4.900 . 8.000 4.972 4.655 5.273 . 0 0 "[ . 1]" 1
431 1 72 PRO HA 1 73 TYR QE 4.900 . 8.000 5.860 5.718 6.030 . 0 0 "[ . 1]" 1
432 1 72 PRO QG 1 73 TYR QD 5.400 . 9.000 4.464 4.432 4.500 . 0 0 "[ . 1]" 1
433 1 73 TYR HA 1 73 TYR QE 4.400 . 7.000 4.443 4.408 4.479 . 0 0 "[ . 1]" 1
434 1 73 TYR HA 1 76 LYS H 2.650 . 3.500 3.233 3.194 3.261 . 0 0 "[ . 1]" 1
435 1 73 TYR HA 1 76 LYS QB 4.400 . 7.000 1.777 1.751 1.820 0.049 10 0 "[ . 1]" 1
436 1 73 TYR HA 1 76 LYS QD 4.400 . 7.000 2.734 2.671 2.822 . 0 0 "[ . 1]" 1
437 1 73 TYR HA 1 76 LYS QE 4.400 . 7.000 2.770 2.096 3.653 . 0 0 "[ . 1]" 1
438 1 73 TYR HA 1 76 LYS QG 3.900 . 6.000 3.806 3.781 3.819 . 0 0 "[ . 1]" 1
439 1 73 TYR QB 1 76 LYS QD 4.900 . 8.000 3.489 3.426 3.554 . 0 0 "[ . 1]" 1
440 1 73 TYR QD 1 76 LYS QB 5.400 . 9.000 3.121 2.947 3.256 . 0 0 "[ . 1]" 1
441 1 73 TYR QD 1 76 LYS QD 5.400 . 9.000 2.397 1.848 3.048 . 0 0 "[ . 1]" 1
442 1 73 TYR QD 1 76 LYS QE 5.400 . 9.000 3.472 3.447 3.503 . 0 0 "[ . 1]" 1
443 1 73 TYR QD 1 76 LYS QG 5.400 . 9.000 4.126 3.819 4.446 . 0 0 "[ . 1]" 1
444 1 73 TYR QE 1 76 LYS QD 4.900 . 8.000 3.938 3.441 4.423 . 0 0 "[ . 1]" 1
445 1 73 TYR QE 1 76 LYS QE 4.900 . 8.000 5.207 4.985 5.369 . 0 0 "[ . 1]" 1
446 1 73 TYR O 1 77 SER H 1.900 . 2.000 1.905 1.871 1.924 . 0 0 "[ . 1]" 1
447 1 73 TYR O 1 77 SER N 2.400 . 3.000 2.464 2.408 2.499 . 0 0 "[ . 1]" 1
448 1 74 PHE HA 1 77 SER H 2.650 . 3.500 3.061 2.940 3.154 . 0 0 "[ . 1]" 1
449 1 74 PHE HB2 1 77 SER HB2 3.900 . 6.000 5.443 5.242 5.578 . 0 0 "[ . 1]" 1
450 1 74 PHE QD 1 113 LEU HA 4.900 . 8.000 5.846 5.551 6.228 . 0 0 "[ . 1]" 1
451 1 74 PHE QD 1 113 LEU MD1 5.650 . 9.500 5.029 4.835 5.145 . 0 0 "[ . 1]" 1
452 1 74 PHE QD 1 113 LEU HG 4.900 . 8.000 7.579 7.388 7.747 . 0 0 "[ . 1]" 1
453 1 74 PHE QD 1 115 HIS QB 5.400 . 9.000 2.946 2.857 3.045 . 0 0 "[ . 1]" 1
454 1 74 PHE QD 1 116 PHE HA 4.900 . 8.000 2.471 2.272 2.697 . 0 0 "[ . 1]" 1
455 1 74 PHE O 1 78 ILE H 1.900 . 2.000 2.122 2.091 2.139 0.139 4 0 "[ . 1]" 1
456 1 74 PHE O 1 78 ILE N 2.400 . 3.000 3.061 3.022 3.078 0.078 6 0 "[ . 1]" 1
457 1 75 MET HA 1 78 ILE H 2.650 . 3.500 3.091 3.022 3.201 . 0 0 "[ . 1]" 1
458 1 75 MET HA 1 78 ILE HB 3.900 . 6.000 2.535 2.443 2.645 . 0 0 "[ . 1]" 1
459 1 75 MET HA 1 78 ILE MD 4.650 . 7.500 3.931 3.897 3.990 . 0 0 "[ . 1]" 1
460 1 75 MET HA 1 119 ILE MD 4.650 . 7.500 1.979 1.910 2.080 . 0 0 "[ . 1]" 1
461 1 75 MET HA 1 119 ILE MG 4.650 . 7.500 4.050 3.774 4.219 . 0 0 "[ . 1]" 1
462 1 75 MET QB 1 76 LYS HA 4.400 . 7.000 3.951 3.770 4.032 . 0 0 "[ . 1]" 1
463 1 75 MET QG 1 76 LYS HA 4.400 . 7.000 4.726 4.568 5.586 . 0 0 "[ . 1]" 1
464 1 75 MET QG 1 78 ILE HB 4.400 . 7.000 5.328 4.865 5.400 . 0 0 "[ . 1]" 1
465 1 75 MET QG 1 78 ILE MD 5.150 . 8.500 6.037 5.456 6.123 . 0 0 "[ . 1]" 1
466 1 75 MET QG 1 119 ILE MD 5.150 . 8.500 3.473 2.731 3.698 . 0 0 "[ . 1]" 1
467 1 75 MET QG 1 119 ILE MG 5.150 . 8.500 3.967 3.197 4.073 . 0 0 "[ . 1]" 1
468 1 75 MET O 1 79 ASP H 1.900 . 2.000 2.095 2.073 2.111 0.111 5 0 "[ . 1]" 1
469 1 75 MET O 1 79 ASP N 2.650 . 3.500 2.962 2.932 2.992 . 0 0 "[ . 1]" 1
470 1 76 LYS HA 1 76 LYS QD 4.400 . 7.000 4.240 4.188 4.286 . 0 0 "[ . 1]" 1
471 1 76 LYS HA 1 76 LYS QE 4.400 . 7.000 3.841 3.813 3.859 . 0 0 "[ . 1]" 1
472 1 76 LYS HA 1 79 ASP H 2.650 . 3.500 3.066 3.009 3.130 . 0 0 "[ . 1]" 1
473 1 76 LYS HA 1 79 ASP HB2 3.400 . 5.000 2.077 2.021 2.141 . 0 0 "[ . 1]" 1
474 1 76 LYS HA 1 79 ASP HB3 3.900 . 6.000 3.626 3.569 3.683 . 0 0 "[ . 1]" 1
475 1 76 LYS QB 1 79 ASP HB2 4.400 . 7.000 4.015 3.958 4.091 . 0 0 "[ . 1]" 1
476 1 76 LYS QB 1 79 ASP HB3 4.400 . 7.000 5.214 5.146 5.289 . 0 0 "[ . 1]" 1
477 1 76 LYS QD 1 79 ASP HB2 4.400 . 7.000 5.039 4.928 5.099 . 0 0 "[ . 1]" 1
478 1 76 LYS QD 1 79 ASP HB3 4.400 . 7.000 5.624 5.541 5.663 . 0 0 "[ . 1]" 1
479 1 76 LYS QE 1 79 ASP HB2 4.400 . 7.000 4.297 4.040 4.513 . 0 0 "[ . 1]" 1
480 1 76 LYS QG 1 77 SER HA 4.400 . 7.000 4.314 4.125 4.501 . 0 0 "[ . 1]" 1
481 1 76 LYS QG 1 79 ASP HB2 3.900 . 6.000 2.990 2.870 3.056 . 0 0 "[ . 1]" 1
482 1 76 LYS QG 1 79 ASP HB3 3.900 . 6.000 3.714 3.650 3.756 . 0 0 "[ . 1]" 1
483 1 76 LYS O 1 80 CYS H 1.900 . 2.000 2.033 2.013 2.060 0.060 5 0 "[ . 1]" 1
484 1 76 LYS O 1 80 CYS N 2.400 . 3.000 2.885 2.828 2.978 . 0 0 "[ . 1]" 1
485 1 77 SER HA 1 80 CYS H 2.650 . 3.500 3.027 2.959 3.252 . 0 0 "[ . 1]" 1
486 1 77 SER HA 1 80 CYS HB2 3.900 . 6.000 4.319 4.211 4.575 . 0 0 "[ . 1]" 1
487 1 77 SER HB2 1 78 ILE MD 4.650 . 7.500 5.001 4.926 5.072 . 0 0 "[ . 1]" 1
488 1 77 SER HB2 1 81 ILE MD 4.650 . 7.500 3.492 3.277 3.747 . 0 0 "[ . 1]" 1
489 1 77 SER HB3 1 78 ILE MD 4.650 . 7.500 5.085 5.030 5.139 . 0 0 "[ . 1]" 1
490 1 77 SER O 1 81 ILE H 1.900 . 2.000 1.947 1.890 2.007 0.007 3 0 "[ . 1]" 1
491 1 77 SER O 1 81 ILE N 2.400 . 3.000 2.903 2.842 2.961 . 0 0 "[ . 1]" 1
492 1 78 ILE HA 1 81 ILE H 2.650 . 3.500 3.483 3.368 3.531 0.031 10 0 "[ . 1]" 1
493 1 78 ILE HA 1 81 ILE MD 4.650 . 7.500 1.928 1.830 2.090 . 0 0 "[ . 1]" 1
494 1 78 ILE HB 1 81 ILE MD 4.650 . 7.500 4.214 4.055 4.296 . 0 0 "[ . 1]" 1
495 1 78 ILE HB 1 119 ILE HB 3.900 . 6.000 4.602 4.249 4.832 . 0 0 "[ . 1]" 1
496 1 78 ILE HB 1 119 ILE MD 4.650 . 7.500 2.702 2.515 2.752 . 0 0 "[ . 1]" 1
497 1 78 ILE HB 1 119 ILE MG 4.150 . 6.500 5.107 4.781 5.239 . 0 0 "[ . 1]" 1
498 1 78 ILE HB 1 120 VAL QG 4.650 . 7.500 4.572 4.482 4.674 . 0 0 "[ . 1]" 1
499 1 78 ILE MD 1 81 ILE HB 4.650 . 7.500 3.684 3.523 3.798 . 0 0 "[ . 1]" 1
500 1 78 ILE MD 1 81 ILE MD 4.900 . 8.000 2.366 1.931 2.630 . 0 0 "[ . 1]" 1
501 1 78 ILE MD 1 81 ILE MG 5.400 . 9.000 3.822 3.584 3.941 . 0 0 "[ . 1]" 1
502 1 78 ILE MD 1 82 ARG QD 5.150 . 8.500 4.325 4.215 4.380 . 0 0 "[ . 1]" 1
503 1 78 ILE MD 1 104 LEU HG 4.650 . 7.500 6.791 6.674 6.865 . 0 0 "[ . 1]" 1
504 1 78 ILE MD 1 116 PHE HA 4.650 . 7.500 4.481 4.157 4.567 . 0 0 "[ . 1]" 1
505 1 78 ILE MD 1 119 ILE HA 4.650 . 7.500 5.028 4.909 5.074 . 0 0 "[ . 1]" 1
506 1 78 ILE MD 1 119 ILE HB 4.650 . 7.500 3.970 3.681 4.077 . 0 0 "[ . 1]" 1
507 1 78 ILE MD 1 119 ILE MD 4.900 . 8.000 2.518 2.383 2.639 . 0 0 "[ . 1]" 1
508 1 78 ILE MD 1 119 ILE MG 4.400 . 7.000 4.443 4.264 4.501 . 0 0 "[ . 1]" 1
509 1 78 ILE MD 1 120 VAL HA 4.150 . 6.500 2.091 2.005 2.181 . 0 0 "[ . 1]" 1
510 1 78 ILE MD 1 120 VAL HB 4.650 . 7.500 2.395 2.156 3.828 . 0 0 "[ . 1]" 1
511 1 78 ILE MD 1 120 VAL QG 4.400 . 7.000 1.918 1.825 1.995 . 0 0 "[ . 1]" 1
512 1 78 ILE MD 1 123 ASP HA 4.650 . 7.500 5.966 5.912 6.010 . 0 0 "[ . 1]" 1
513 1 78 ILE MD 1 123 ASP QB 5.150 . 8.500 3.254 3.211 3.288 . 0 0 "[ . 1]" 1
514 1 78 ILE QG 1 79 ASP HA 4.400 . 7.000 4.981 4.932 5.101 . 0 0 "[ . 1]" 1
515 1 78 ILE QG 1 119 ILE HA 4.400 . 7.000 5.485 5.056 5.670 . 0 0 "[ . 1]" 1
516 1 78 ILE QG 1 119 ILE MG 4.650 . 7.500 5.075 4.593 5.232 . 0 0 "[ . 1]" 1
517 1 78 ILE QG 1 123 ASP QB 4.900 . 8.000 2.589 2.397 2.724 . 0 0 "[ . 1]" 1
518 1 78 ILE MG 1 79 ASP HA 4.150 . 6.500 2.864 2.850 2.877 . 0 0 "[ . 1]" 1
519 1 78 ILE MG 1 81 ILE HB 4.150 . 6.500 4.208 4.050 4.289 . 0 0 "[ . 1]" 1
520 1 78 ILE MG 1 82 ARG QD 4.650 . 7.500 2.012 1.932 2.067 . 0 0 "[ . 1]" 1
521 1 78 ILE MG 1 120 VAL HA 4.650 . 7.500 4.923 4.831 5.157 . 0 0 "[ . 1]" 1
522 1 78 ILE MG 1 123 ASP HA 4.650 . 7.500 5.642 5.289 5.870 . 0 0 "[ . 1]" 1
523 1 78 ILE O 1 82 ARG H 1.900 . 2.000 1.964 1.838 2.015 0.015 7 0 "[ . 1]" 1
524 1 78 ILE O 1 82 ARG N 2.400 . 3.000 2.845 2.760 2.893 . 0 0 "[ . 1]" 1
525 1 79 ASP HA 1 81 ILE MG 4.650 . 7.500 5.281 5.243 5.310 . 0 0 "[ . 1]" 1
526 1 79 ASP HA 1 82 ARG H 2.650 . 3.500 3.125 3.042 3.221 . 0 0 "[ . 1]" 1
527 1 79 ASP HA 1 82 ARG HA 3.900 . 6.000 4.831 4.762 4.921 . 0 0 "[ . 1]" 1
528 1 79 ASP HA 1 82 ARG QD 4.400 . 7.000 2.429 2.205 2.614 . 0 0 "[ . 1]" 1
529 1 79 ASP HA 1 83 ALA MB 4.650 . 7.500 5.041 4.957 5.151 . 0 0 "[ . 1]" 1
530 1 79 ASP HB2 1 82 ARG QB 4.400 . 7.000 4.604 4.514 4.727 . 0 0 "[ . 1]" 1
531 1 79 ASP HB2 1 82 ARG QG 4.400 . 7.000 6.068 6.025 6.099 . 0 0 "[ . 1]" 1
532 1 79 ASP HB3 1 82 ARG QD 4.400 . 7.000 4.947 4.754 5.100 . 0 0 "[ . 1]" 1
533 1 79 ASP HB3 1 82 ARG QG 4.400 . 7.000 5.501 5.414 5.580 . 0 0 "[ . 1]" 1
534 1 79 ASP O 1 83 ALA H 1.900 . 2.000 1.995 1.953 2.031 0.031 6 0 "[ . 1]" 1
535 1 79 ASP O 1 83 ALA N 2.400 . 3.000 2.709 2.648 2.842 . 0 0 "[ . 1]" 1
536 1 80 CYS HA 1 83 ALA H 2.650 . 3.500 3.017 2.916 3.050 . 0 0 "[ . 1]" 1
537 1 80 CYS HA 1 83 ALA MB 4.650 . 7.500 2.310 2.104 2.435 . 0 0 "[ . 1]" 1
538 1 80 CYS HB2 1 81 ILE HA 3.900 . 6.000 4.888 4.281 4.972 . 0 0 "[ . 1]" 1
539 1 80 CYS O 1 84 PHE H 1.900 . 2.000 2.118 2.042 2.162 0.162 3 0 "[ . 1]" 1
540 1 80 CYS O 1 84 PHE N 2.400 . 3.000 3.052 3.012 3.090 0.090 3 0 "[ . 1]" 1
541 1 81 ILE HA 1 83 ALA MB 4.650 . 7.500 4.523 4.377 4.650 . 0 0 "[ . 1]" 1
542 1 81 ILE HA 1 85 ARG HA 3.900 . 6.000 5.850 5.715 6.145 0.145 10 0 "[ . 1]" 1
543 1 81 ILE MD 1 82 ARG QD 5.150 . 8.500 4.383 4.260 4.506 . 0 0 "[ . 1]" 1
544 1 81 ILE MD 1 120 VAL QG 4.900 . 8.000 3.758 3.013 4.088 . 0 0 "[ . 1]" 1
545 1 81 ILE MG 1 82 ARG HA 4.650 . 7.500 3.084 2.976 3.156 . 0 0 "[ . 1]" 1
546 1 81 ILE MG 1 82 ARG QD 5.150 . 8.500 2.691 2.513 2.830 . 0 0 "[ . 1]" 1
547 1 81 ILE MG 1 85 ARG HA 4.650 . 7.500 4.537 4.447 4.608 . 0 0 "[ . 1]" 1
548 1 81 ILE MG 1 120 VAL QG 5.400 . 9.000 4.646 4.042 4.839 . 0 0 "[ . 1]" 1
549 1 81 ILE O 1 85 ARG H 2.650 . 3.500 2.049 1.800 2.177 0.000 10 0 "[ . 1]" 1
550 1 81 ILE O 1 85 ARG N 2.650 . 3.500 2.808 2.721 2.898 . 0 0 "[ . 1]" 1
551 1 82 ARG HA 1 82 ARG QD 3.900 . 6.000 2.823 2.750 2.948 . 0 0 "[ . 1]" 1
552 1 82 ARG HA 1 85 ARG HA 3.900 . 6.000 5.023 4.751 5.434 . 0 0 "[ . 1]" 1
553 1 82 ARG HA 1 85 ARG QD 3.900 . 6.000 2.030 1.784 2.338 0.016 2 0 "[ . 1]" 1
554 1 82 ARG O 1 86 GLU H 2.650 . 3.500 2.401 2.148 2.577 . 0 0 "[ . 1]" 1
555 1 82 ARG O 1 86 GLU N 2.650 . 3.500 3.366 3.122 3.520 0.020 3 0 "[ . 1]" 1
556 1 83 ALA O 1 87 GLU H 2.650 . 3.500 2.407 1.954 2.626 . 0 0 "[ . 1]" 1
557 1 83 ALA O 1 87 GLU N 2.650 . 3.500 3.323 2.858 3.510 0.010 3 0 "[ . 1]" 1
558 1 84 PHE O 1 88 ALA H 2.650 . 3.500 2.032 1.881 2.477 . 0 0 "[ . 1]" 1
559 1 84 PHE O 1 88 ALA N 2.650 . 3.500 2.923 2.786 3.338 . 0 0 "[ . 1]" 1
560 1 85 ARG HA 1 85 ARG QD 4.400 . 7.000 4.142 3.710 4.563 . 0 0 "[ . 1]" 1
561 1 85 ARG QD 1 128 ILE MD 5.150 . 8.500 6.718 6.172 7.141 . 0 0 "[ . 1]" 1
562 1 85 ARG O 1 89 ILE H 2.650 . 3.500 2.627 2.559 2.739 . 0 0 "[ . 1]" 1
563 1 85 ARG O 1 89 ILE N 2.650 . 3.500 3.546 3.509 3.638 0.138 7 0 "[ . 1]" 1
564 1 86 GLU O 1 90 LYS H 2.650 . 3.500 2.516 2.058 2.706 . 0 0 "[ . 1]" 1
565 1 86 GLU O 1 90 LYS N 2.650 . 3.500 3.391 3.013 3.571 0.071 5 0 "[ . 1]" 1
566 1 87 GLU HA 1 90 LYS HA 3.900 . 6.000 5.506 5.175 5.655 . 0 0 "[ . 1]" 1
567 1 87 GLU HA 1 90 LYS QG 4.400 . 7.000 3.549 3.232 4.145 . 0 0 "[ . 1]" 1
568 1 88 ALA HA 1 91 PHE HA 3.900 . 6.000 4.939 4.787 5.124 . 0 0 "[ . 1]" 1
569 1 88 ALA HA 1 91 PHE QD 4.900 . 8.000 3.827 3.682 4.053 . 0 0 "[ . 1]" 1
570 1 88 ALA HA 1 91 PHE QE 4.900 . 8.000 5.957 5.833 6.069 . 0 0 "[ . 1]" 1
571 1 88 ALA HA 1 93 GLU HA 3.900 . 6.000 5.505 5.381 5.650 . 0 0 "[ . 1]" 1
572 1 88 ALA MB 1 91 PHE HA 4.650 . 7.500 6.044 5.921 6.147 . 0 0 "[ . 1]" 1
573 1 88 ALA MB 1 93 GLU HA 4.650 . 7.500 4.511 4.366 4.618 . 0 0 "[ . 1]" 1
574 1 88 ALA MB 1 94 GLU HA 4.650 . 7.500 4.099 3.919 4.257 . 0 0 "[ . 1]" 1
575 1 88 ALA MB 1 97 PHE HA 4.650 . 7.500 4.243 4.016 4.392 . 0 0 "[ . 1]" 1
576 1 90 LYS HA 1 90 LYS HB2 2.900 . 4.000 3.008 2.948 3.024 . 0 0 "[ . 1]" 1
577 1 90 LYS HA 1 90 LYS QE 4.400 . 7.000 3.069 2.739 3.671 . 0 0 "[ . 1]" 1
578 1 90 LYS HA 1 91 PHE HA 3.900 . 6.000 4.582 4.523 4.658 . 0 0 "[ . 1]" 1
579 1 90 LYS HA 1 91 PHE QD 4.900 . 8.000 5.280 4.827 5.468 . 0 0 "[ . 1]" 1
580 1 90 LYS HA 1 91 PHE QE 4.900 . 8.000 6.610 6.202 6.860 . 0 0 "[ . 1]" 1
581 1 90 LYS HB3 1 91 PHE HA 3.900 . 6.000 4.603 4.366 4.733 . 0 0 "[ . 1]" 1
582 1 90 LYS HB3 1 91 PHE QD 4.900 . 8.000 4.282 3.257 4.718 . 0 0 "[ . 1]" 1
583 1 90 LYS HB3 1 91 PHE QE 4.900 . 8.000 4.916 3.895 5.403 . 0 0 "[ . 1]" 1
584 1 90 LYS QG 1 91 PHE HA 4.400 . 7.000 5.838 5.690 5.938 . 0 0 "[ . 1]" 1
585 1 90 LYS QG 1 91 PHE QD 5.400 . 9.000 4.772 4.580 4.838 . 0 0 "[ . 1]" 1
586 1 90 LYS QG 1 91 PHE QE 5.400 . 9.000 5.359 5.096 5.567 . 0 0 "[ . 1]" 1
587 1 91 PHE HA 1 91 PHE QE 4.400 . 7.000 4.419 4.376 4.492 . 0 0 "[ . 1]" 1
588 1 91 PHE HB2 1 91 PHE QE 4.400 . 7.000 4.395 4.380 4.414 . 0 0 "[ . 1]" 1
589 1 91 PHE HB2 1 92 SER HA 3.900 . 6.000 5.606 5.526 5.697 . 0 0 "[ . 1]" 1
590 1 91 PHE HB2 1 93 GLU HB2 3.900 . 6.000 3.765 3.575 3.876 . 0 0 "[ . 1]" 1
591 1 91 PHE HB3 1 91 PHE QE 4.400 . 7.000 4.415 4.386 4.433 . 0 0 "[ . 1]" 1
592 1 91 PHE HB3 1 93 GLU HB2 3.900 . 6.000 3.775 3.393 4.002 . 0 0 "[ . 1]" 1
593 1 91 PHE HB3 1 93 GLU HB3 3.900 . 6.000 5.246 4.883 5.495 . 0 0 "[ . 1]" 1
594 1 92 SER HA 1 93 GLU HA 3.900 . 6.000 4.372 4.323 4.517 . 0 0 "[ . 1]" 1
595 1 92 SER HB2 1 93 GLU HA 3.900 . 6.000 4.950 4.762 5.024 . 0 0 "[ . 1]" 1
596 1 94 GLU O 1 98 ASN H 2.650 . 3.500 2.496 2.375 2.573 . 0 0 "[ . 1]" 1
597 1 94 GLU O 1 98 ASN N 2.650 . 3.500 3.440 3.303 3.530 0.030 6 0 "[ . 1]" 1
598 1 95 GLN HA 1 98 ASN H 2.650 . 3.500 3.557 3.523 3.594 0.094 3 0 "[ . 1]" 1
599 1 95 GLN O 1 99 ASN H 1.900 . 2.000 2.024 1.981 2.048 0.048 1 0 "[ . 1]" 1
600 1 95 GLN O 1 99 ASN N 2.400 . 3.000 2.805 2.751 2.843 . 0 0 "[ . 1]" 1
601 1 96 ARG HA 1 99 ASN H 2.650 . 3.500 3.561 3.526 3.630 0.130 6 0 "[ . 1]" 1
602 1 96 ARG HA 1 100 PHE QD 4.400 . 7.000 5.057 4.187 6.515 . 0 0 "[ . 1]" 1
603 1 96 ARG O 1 100 PHE H 1.900 . 2.000 1.953 1.809 2.032 0.032 5 0 "[ . 1]" 1
604 1 96 ARG O 1 100 PHE N 2.400 . 3.000 2.914 2.752 2.994 . 0 0 "[ . 1]" 1
605 1 97 PHE HA 1 98 ASN HA 3.900 . 6.000 4.702 4.670 4.722 . 0 0 "[ . 1]" 1
606 1 97 PHE HA 1 100 PHE H 2.650 . 3.500 3.631 3.605 3.660 0.160 5 0 "[ . 1]" 1
607 1 97 PHE HA 1 100 PHE HA 3.900 . 6.000 5.984 5.877 6.023 0.023 2 0 "[ . 1]" 1
608 1 97 PHE HA 1 100 PHE QB 4.400 . 7.000 3.752 3.162 4.346 . 0 0 "[ . 1]" 1
609 1 97 PHE HA 1 128 ILE MD 4.650 . 7.500 4.171 3.952 4.399 . 0 0 "[ . 1]" 1
610 1 97 PHE HA 1 128 ILE MG 4.650 . 7.500 6.363 6.069 6.739 . 0 0 "[ . 1]" 1
611 1 97 PHE O 1 101 LEU H 1.900 . 2.000 2.026 1.978 2.077 0.077 3 0 "[ . 1]" 1
612 1 97 PHE O 1 101 LEU N 2.400 . 3.000 2.926 2.764 3.021 0.021 3 0 "[ . 1]" 1
613 1 98 ASN HA 1 101 LEU H 2.650 . 3.500 3.538 3.425 3.573 0.073 9 0 "[ . 1]" 1
614 1 98 ASN HA 1 101 LEU HG 3.900 . 6.000 4.389 4.187 4.585 . 0 0 "[ . 1]" 1
615 1 98 ASN O 1 102 LYS H 1.900 . 2.000 2.021 1.983 2.048 0.048 5 0 "[ . 1]" 1
616 1 98 ASN O 1 102 LYS N 2.400 . 3.000 2.930 2.900 2.955 . 0 0 "[ . 1]" 1
617 1 99 ASN HA 1 102 LYS H 2.650 . 3.500 3.650 3.611 3.682 0.182 3 0 "[ . 1]" 1
618 1 99 ASN QB 1 100 PHE QE 5.400 . 9.000 6.384 4.558 7.463 . 0 0 "[ . 1]" 1
619 1 99 ASN O 1 103 ALA H 1.900 . 2.000 2.011 1.912 2.072 0.072 6 0 "[ . 1]" 1
620 1 99 ASN O 1 103 ALA N 2.400 . 3.000 2.780 2.643 2.868 . 0 0 "[ . 1]" 1
621 1 100 PHE HA 1 100 PHE QE 4.400 . 7.000 5.164 4.119 5.618 . 0 0 "[ . 1]" 1
622 1 100 PHE HA 1 103 ALA H 2.650 . 3.500 3.504 3.209 3.609 0.109 1 0 "[ . 1]" 1
623 1 100 PHE HA 1 103 ALA MB 4.150 . 6.500 2.462 2.127 2.620 . 0 0 "[ . 1]" 1
624 1 100 PHE QB 1 103 ALA MB 5.150 . 8.500 4.122 3.738 4.328 . 0 0 "[ . 1]" 1
625 1 100 PHE QD 1 101 LEU MD1 5.650 . 9.500 4.619 3.643 6.614 . 0 0 "[ . 1]" 1
626 1 100 PHE QE 1 101 LEU HA 4.900 . 8.000 4.419 3.303 7.865 . 0 0 "[ . 1]" 1
627 1 100 PHE O 1 104 LEU H 1.900 . 2.000 1.889 1.770 1.997 0.030 2 0 "[ . 1]" 1
628 1 100 PHE O 1 104 LEU N 2.400 . 3.000 2.798 2.659 2.909 . 0 0 "[ . 1]" 1
629 1 101 LEU HA 1 101 LEU MD2 4.150 . 6.500 3.477 3.356 3.618 . 0 0 "[ . 1]" 1
630 1 101 LEU HA 1 101 LEU HG 3.900 . 6.000 3.482 2.990 3.559 . 0 0 "[ . 1]" 1
631 1 101 LEU HA 1 103 ALA MB 4.650 . 7.500 5.078 4.905 5.198 . 0 0 "[ . 1]" 1
632 1 101 LEU HA 1 104 LEU H 2.650 . 3.500 3.599 3.482 3.658 0.158 9 0 "[ . 1]" 1
633 1 101 LEU HA 1 104 LEU HA 3.900 . 6.000 5.756 5.632 5.842 . 0 0 "[ . 1]" 1
634 1 101 LEU HA 1 104 LEU HG 3.900 . 6.000 2.310 2.179 2.421 . 0 0 "[ . 1]" 1
635 1 101 LEU MD1 1 126 THR MG 5.400 . 9.000 2.635 2.509 3.362 . 0 0 "[ . 1]" 1
636 1 101 LEU MD2 1 126 THR HA 4.150 . 6.500 1.913 1.687 2.811 0.113 6 0 "[ . 1]" 1
637 1 101 LEU MD2 1 126 THR HB 4.150 . 6.500 4.256 4.146 4.608 . 0 0 "[ . 1]" 1
638 1 101 LEU MD2 1 126 THR MG 4.400 . 7.000 3.194 2.532 3.428 . 0 0 "[ . 1]" 1
639 1 101 LEU HG 1 102 LYS HA 3.900 . 6.000 4.170 4.072 4.271 . 0 0 "[ . 1]" 1
640 1 101 LEU HG 1 126 THR HA 3.900 . 6.000 2.626 2.191 2.825 . 0 0 "[ . 1]" 1
641 1 101 LEU HG 1 126 THR HB 3.900 . 6.000 5.091 5.026 5.189 . 0 0 "[ . 1]" 1
642 1 101 LEU HG 1 126 THR MG 4.650 . 7.500 2.876 2.498 3.049 . 0 0 "[ . 1]" 1
643 1 101 LEU O 1 105 GLN H 1.900 . 2.000 2.068 2.002 2.138 0.138 8 0 "[ . 1]" 1
644 1 101 LEU O 1 105 GLN N 2.400 . 3.000 2.994 2.905 3.057 0.057 8 0 "[ . 1]" 1
645 1 102 LYS HA 1 105 GLN H 2.650 . 3.500 3.595 3.550 3.616 0.116 5 0 "[ . 1]" 1
646 1 102 LYS HA 1 105 GLN HB2 3.900 . 6.000 4.343 4.159 4.458 . 0 0 "[ . 1]" 1
647 1 102 LYS HA 1 105 GLN HB3 3.900 . 6.000 2.681 2.544 2.765 . 0 0 "[ . 1]" 1
648 1 102 LYS O 1 106 GLU H 1.900 . 2.000 2.045 2.015 2.066 0.066 4 0 "[ . 1]" 1
649 1 102 LYS O 1 106 GLU N 2.400 . 3.000 2.951 2.902 2.983 . 0 0 "[ . 1]" 1
650 1 103 ALA HA 1 104 LEU HA 3.900 . 6.000 4.707 4.688 4.731 . 0 0 "[ . 1]" 1
651 1 103 ALA HA 1 104 LEU MD2 4.650 . 7.500 6.290 6.183 6.408 . 0 0 "[ . 1]" 1
652 1 103 ALA HA 1 105 GLN QG 4.400 . 7.000 5.769 5.638 6.015 . 0 0 "[ . 1]" 1
653 1 103 ALA HA 1 106 GLU H 2.650 . 3.500 3.530 3.513 3.558 0.058 9 0 "[ . 1]" 1
654 1 103 ALA HA 1 106 GLU HA 3.900 . 6.000 5.440 5.419 5.472 . 0 0 "[ . 1]" 1
655 1 103 ALA MB 1 104 LEU HA 4.650 . 7.500 3.812 3.802 3.826 . 0 0 "[ . 1]" 1
656 1 103 ALA O 1 107 LYS H 1.900 . 2.000 2.079 2.037 2.099 0.099 5 0 "[ . 1]" 1
657 1 103 ALA O 1 107 LYS N 2.400 . 3.000 2.924 2.855 2.973 . 0 0 "[ . 1]" 1
658 1 104 LEU HA 1 104 LEU MD2 4.150 . 6.500 4.117 4.096 4.153 . 0 0 "[ . 1]" 1
659 1 104 LEU HA 1 104 LEU HG 3.400 . 5.000 3.739 3.717 3.773 . 0 0 "[ . 1]" 1
660 1 104 LEU HA 1 107 LYS H 2.650 . 3.500 3.604 3.581 3.678 0.178 5 0 "[ . 1]" 1
661 1 104 LEU HA 1 107 LYS QG 4.400 . 7.000 4.163 3.314 4.435 . 0 0 "[ . 1]" 1
662 1 104 LEU HA 1 108 VAL MG2 4.650 . 7.500 6.063 5.979 6.143 . 0 0 "[ . 1]" 1
663 1 104 LEU MD2 1 120 VAL HA 4.650 . 7.500 6.922 6.517 7.502 0.002 6 0 "[ . 1]" 1
664 1 104 LEU MD2 1 120 VAL QG 4.900 . 8.000 4.119 3.753 4.562 . 0 0 "[ . 1]" 1
665 1 104 LEU O 1 108 VAL H 1.900 . 2.000 2.062 2.023 2.101 0.101 6 0 "[ . 1]" 1
666 1 104 LEU O 1 108 VAL N 2.400 . 3.000 2.939 2.873 3.008 0.008 7 0 "[ . 1]" 1
667 1 105 GLN HA 1 108 VAL H 2.650 . 3.500 2.987 2.952 3.072 . 0 0 "[ . 1]" 1
668 1 105 GLN HB2 1 108 VAL HB 3.900 . 6.000 6.213 6.196 6.255 0.255 8 0 "[ . 1]" 1
669 1 105 GLN HB2 1 108 VAL MG1 4.650 . 7.500 3.636 3.604 3.667 . 0 0 "[ . 1]" 1
670 1 105 GLN HB2 1 108 VAL MG2 4.650 . 7.500 3.783 3.715 3.836 . 0 0 "[ . 1]" 1
671 1 105 GLN O 1 109 GLU H 1.900 . 2.000 2.080 2.027 2.133 0.133 6 0 "[ . 1]" 1
672 1 105 GLN O 1 109 GLU N 2.400 . 3.000 2.943 2.833 3.037 0.037 6 0 "[ . 1]" 1
673 1 106 GLU HA 1 109 GLU H 2.650 . 3.500 3.393 3.298 3.498 . 0 0 "[ . 1]" 1
674 1 106 GLU O 1 110 ILE H 1.900 . 2.000 2.023 1.950 2.051 0.051 2 0 "[ . 1]" 1
675 1 106 GLU O 1 110 ILE N 2.400 . 3.000 2.984 2.909 3.027 0.027 4 0 "[ . 1]" 1
676 1 107 LYS HA 1 110 ILE H 2.650 . 3.500 3.368 3.280 3.506 0.006 4 0 "[ . 1]" 1
677 1 107 LYS QG 1 108 VAL MG1 4.650 . 7.500 4.269 3.554 4.848 . 0 0 "[ . 1]" 1
678 1 107 LYS QG 1 108 VAL MG2 5.150 . 8.500 5.598 5.088 6.021 . 0 0 "[ . 1]" 1
679 1 108 VAL HA 1 113 LEU HA 3.900 . 6.000 5.593 4.767 5.864 . 0 0 "[ . 1]" 1
680 1 108 VAL HA 1 113 LEU HB2 3.900 . 6.000 2.702 1.973 2.931 . 0 0 "[ . 1]" 1
681 1 108 VAL HA 1 113 LEU HB3 3.900 . 6.000 4.104 3.426 4.314 . 0 0 "[ . 1]" 1
682 1 108 VAL HA 1 113 LEU MD1 4.650 . 7.500 5.300 4.806 5.461 . 0 0 "[ . 1]" 1
683 1 108 VAL HA 1 113 LEU HG 3.400 . 5.000 4.344 4.068 4.471 . 0 0 "[ . 1]" 1
684 1 108 VAL HA 1 116 PHE QB 4.400 . 7.000 5.311 4.618 5.719 . 0 0 "[ . 1]" 1
685 1 108 VAL HB 1 113 LEU HA 3.900 . 6.000 5.141 4.626 5.315 . 0 0 "[ . 1]" 1
686 1 108 VAL HB 1 113 LEU MD1 4.150 . 6.500 5.363 5.103 5.484 . 0 0 "[ . 1]" 1
687 1 108 VAL HB 1 113 LEU HG 3.400 . 5.000 5.082 5.057 5.108 0.108 4 0 "[ . 1]" 1
688 1 108 VAL MG1 1 117 TRP QB 5.150 . 8.500 2.957 2.845 3.146 . 0 0 "[ . 1]" 1
689 1 108 VAL MG2 1 113 LEU HA 4.650 . 7.500 6.076 5.548 6.230 . 0 0 "[ . 1]" 1
690 1 108 VAL MG2 1 113 LEU HB2 4.650 . 7.500 4.457 4.274 4.532 . 0 0 "[ . 1]" 1
691 1 108 VAL MG2 1 113 LEU HB3 4.150 . 6.500 5.071 4.808 5.191 . 0 0 "[ . 1]" 1
692 1 108 VAL MG2 1 113 LEU HG 4.650 . 7.500 6.229 6.175 6.268 . 0 0 "[ . 1]" 1
693 1 108 VAL MG2 1 114 ASN HA 4.650 . 7.500 3.254 2.827 3.431 . 0 0 "[ . 1]" 1
694 1 108 VAL MG2 1 117 TRP HA 4.650 . 7.500 3.948 3.588 4.143 . 0 0 "[ . 1]" 1
695 1 108 VAL MG2 1 117 TRP QB 5.150 . 8.500 2.157 1.873 2.345 . 0 0 "[ . 1]" 1
696 1 110 ILE HA 1 110 ILE MD 4.150 . 6.500 2.388 2.312 2.465 . 0 0 "[ . 1]" 1
697 1 110 ILE MG 1 111 LYS HA 4.650 . 7.500 3.255 3.211 3.296 . 0 0 "[ . 1]" 1
698 1 112 GLN HA 1 113 LEU HA 3.900 . 6.000 4.964 4.340 5.137 . 0 0 "[ . 1]" 1
699 1 112 GLN HA 1 113 LEU HG 3.900 . 6.000 6.256 6.226 6.280 0.280 10 0 "[ . 1]" 1
700 1 112 GLN HA 1 114 ASN HA 3.900 . 6.000 5.411 5.176 6.053 0.053 2 0 "[ . 1]" 1
701 1 112 GLN QB 1 113 LEU MD1 5.150 . 8.500 3.751 3.208 4.033 . 0 0 "[ . 1]" 1
702 1 112 GLN HB2 1 113 LEU MD1 4.650 . 7.500 4.127 3.629 4.456 . 0 0 "[ . 1]" 1
703 1 112 GLN HB2 1 113 LEU HG 3.900 . 6.000 5.294 5.047 5.605 . 0 0 "[ . 1]" 1
704 1 112 GLN HB3 1 113 LEU MD1 4.650 . 7.500 4.319 3.575 4.606 . 0 0 "[ . 1]" 1
705 1 112 GLN HB3 1 113 LEU HG 3.900 . 6.000 5.936 5.809 6.099 0.099 2 0 "[ . 1]" 1
706 1 113 LEU HA 1 113 LEU MD1 4.150 . 6.500 2.084 1.995 2.183 . 0 0 "[ . 1]" 1
707 1 113 LEU HA 1 113 LEU HG 3.400 . 5.000 3.706 3.659 3.722 . 0 0 "[ . 1]" 1
708 1 113 LEU HA 1 114 ASN HA 3.900 . 6.000 4.767 4.547 4.822 . 0 0 "[ . 1]" 1
709 1 113 LEU HA 1 114 ASN QB 4.400 . 7.000 4.954 4.710 5.024 . 0 0 "[ . 1]" 1
710 1 113 LEU HB3 1 116 PHE QB 4.400 . 7.000 2.393 2.312 2.484 . 0 0 "[ . 1]" 1
711 1 113 LEU MD1 1 116 PHE HA 4.650 . 7.500 5.266 5.213 5.346 . 0 0 "[ . 1]" 1
712 1 113 LEU MD1 1 116 PHE QB 4.650 . 7.500 3.162 3.050 3.306 . 0 0 "[ . 1]" 1
713 1 113 LEU HG 1 116 PHE QB 4.400 . 7.000 4.315 4.226 4.440 . 0 0 "[ . 1]" 1
714 1 113 LEU HG 1 116 PHE QD 4.900 . 8.000 4.634 4.298 4.866 . 0 0 "[ . 1]" 1
715 1 114 ASN HA 1 115 HIS QB 4.400 . 7.000 5.398 5.334 5.482 . 0 0 "[ . 1]" 1
716 1 114 ASN HA 1 117 TRP HA 3.900 . 6.000 5.099 4.743 5.216 . 0 0 "[ . 1]" 1
717 1 114 ASN HA 1 117 TRP QB 4.400 . 7.000 2.370 1.948 2.543 . 0 0 "[ . 1]" 1
718 1 114 ASN HA 1 117 TRP HD1 3.900 . 6.000 4.057 3.773 4.381 . 0 0 "[ . 1]" 1
719 1 114 ASN QB 1 115 HIS HA 4.400 . 7.000 3.929 3.892 3.981 . 0 0 "[ . 1]" 1
720 1 114 ASN QB 1 115 HIS QB 4.900 . 8.000 4.685 4.583 4.782 . 0 0 "[ . 1]" 1
721 1 114 ASN QB 1 117 TRP HA 4.400 . 7.000 6.280 5.959 6.392 . 0 0 "[ . 1]" 1
722 1 114 ASN QB 1 117 TRP QB 4.900 . 8.000 3.518 3.202 3.649 . 0 0 "[ . 1]" 1
723 1 114 ASN QB 1 117 TRP HD1 4.400 . 7.000 3.687 3.200 4.126 . 0 0 "[ . 1]" 1
724 1 115 HIS HA 1 116 PHE HA 3.900 . 6.000 4.840 4.823 4.851 . 0 0 "[ . 1]" 1
725 1 115 HIS HA 1 118 GLU H 2.650 . 3.500 3.135 2.974 3.214 . 0 0 "[ . 1]" 1
726 1 115 HIS HA 1 118 GLU HA 3.900 . 6.000 4.854 4.713 4.910 . 0 0 "[ . 1]" 1
727 1 115 HIS HA 1 118 GLU HB2 3.900 . 6.000 2.642 2.564 2.687 . 0 0 "[ . 1]" 1
728 1 115 HIS HA 1 118 GLU QG 4.400 . 7.000 1.958 1.933 1.985 . 0 0 "[ . 1]" 1
729 1 115 HIS HA 1 119 ILE MD 4.650 . 7.500 5.989 5.854 6.046 . 0 0 "[ . 1]" 1
730 1 115 HIS QB 1 116 PHE QB 4.900 . 8.000 3.939 3.887 3.980 . 0 0 "[ . 1]" 1
731 1 115 HIS QB 1 118 GLU QG 4.900 . 8.000 3.743 3.695 3.758 . 0 0 "[ . 1]" 1
732 1 115 HIS QB 1 119 ILE MD 4.650 . 7.500 4.779 4.659 4.832 . 0 0 "[ . 1]" 1
733 1 115 HIS QB 1 119 ILE MG 5.150 . 8.500 3.967 3.826 4.221 . 0 0 "[ . 1]" 1
734 1 115 HIS O 1 119 ILE H 1.900 . 2.000 2.099 2.080 2.119 0.119 8 0 "[ . 1]" 1
735 1 115 HIS O 1 119 ILE N 2.400 . 3.000 3.032 3.017 3.050 0.050 8 0 "[ . 1]" 1
736 1 116 PHE HA 1 119 ILE H 2.650 . 3.500 3.548 3.485 3.580 0.080 7 0 "[ . 1]" 1
737 1 116 PHE HA 1 119 ILE HB 3.900 . 6.000 5.273 5.125 5.338 . 0 0 "[ . 1]" 1
738 1 116 PHE HA 1 119 ILE MD 4.150 . 6.500 2.684 2.397 2.797 . 0 0 "[ . 1]" 1
739 1 116 PHE HA 1 119 ILE MG 4.650 . 7.500 3.453 3.324 3.676 . 0 0 "[ . 1]" 1
740 1 116 PHE QB 1 119 ILE MD 4.650 . 7.500 3.817 3.426 4.003 . 0 0 "[ . 1]" 1
741 1 116 PHE QB 1 119 ILE MG 5.150 . 8.500 5.011 4.911 5.178 . 0 0 "[ . 1]" 1
742 1 116 PHE QD 1 117 TRP HA 4.900 . 8.000 4.062 3.902 4.295 . 0 0 "[ . 1]" 1
743 1 116 PHE QD 1 119 ILE MD 5.650 . 9.500 2.211 1.875 2.386 . 0 0 "[ . 1]" 1
744 1 116 PHE O 1 120 VAL H 1.900 . 2.000 2.122 2.107 2.135 0.135 5 0 "[ . 1]" 1
745 1 116 PHE O 1 120 VAL N 2.400 . 3.000 3.064 3.000 3.085 0.085 5 0 "[ . 1]" 1
746 1 117 TRP HA 1 117 TRP HD1 3.900 . 6.000 4.619 4.495 4.772 . 0 0 "[ . 1]" 1
747 1 117 TRP HA 1 120 VAL H 2.650 . 3.500 3.472 3.361 3.513 0.013 2 0 "[ . 1]" 1
748 1 117 TRP HA 1 120 VAL HA 3.900 . 6.000 5.360 4.894 5.466 . 0 0 "[ . 1]" 1
749 1 117 TRP HA 1 120 VAL QG 4.150 . 6.500 1.838 1.774 2.219 0.026 4 0 "[ . 1]" 1
750 1 117 TRP QB 1 120 VAL QG 5.150 . 8.500 3.395 3.336 3.620 . 0 0 "[ . 1]" 1
751 1 117 TRP HD1 1 121 VAL MG2 4.650 . 7.500 5.274 4.969 5.598 . 0 0 "[ . 1]" 1
752 1 117 TRP O 1 121 VAL H 1.900 . 2.000 2.049 2.018 2.089 0.089 6 0 "[ . 1]" 1
753 1 117 TRP O 1 121 VAL N 2.400 . 3.000 2.930 2.876 2.975 . 0 0 "[ . 1]" 1
754 1 118 GLU HA 1 119 ILE HA 3.900 . 6.000 4.717 4.698 4.752 . 0 0 "[ . 1]" 1
755 1 118 GLU HA 1 121 VAL H 2.650 . 3.500 3.441 3.341 3.500 . 7 0 "[ . 1]" 1
756 1 118 GLU HA 1 121 VAL HA 3.900 . 6.000 5.562 5.504 5.615 . 0 0 "[ . 1]" 1
757 1 118 GLU HA 1 121 VAL HB 3.900 . 6.000 4.752 4.659 4.818 . 0 0 "[ . 1]" 1
758 1 118 GLU HA 1 121 VAL MG1 4.150 . 6.500 1.982 1.912 2.070 . 0 0 "[ . 1]" 1
759 1 118 GLU HA 1 121 VAL MG2 4.150 . 6.500 3.013 2.921 3.149 . 0 0 "[ . 1]" 1
760 1 118 GLU HB3 1 121 VAL MG2 4.650 . 7.500 3.945 3.870 4.018 . 0 0 "[ . 1]" 1
761 1 118 GLU QG 1 121 VAL MG1 5.150 . 8.500 4.338 4.265 4.412 . 0 0 "[ . 1]" 1
762 1 118 GLU O 1 122 GLN H 1.900 . 2.000 2.046 2.012 2.063 0.063 9 0 "[ . 1]" 1
763 1 118 GLU O 1 122 GLN N 2.400 . 3.000 2.942 2.914 2.963 . 0 0 "[ . 1]" 1
764 1 119 ILE HA 1 119 ILE MD 4.150 . 6.500 4.180 4.172 4.197 . 0 0 "[ . 1]" 1
765 1 119 ILE HA 1 120 VAL QG 4.650 . 7.500 4.569 4.505 4.877 . 0 0 "[ . 1]" 1
766 1 119 ILE HA 1 122 GLN H 2.650 . 3.500 3.091 2.986 3.244 . 0 0 "[ . 1]" 1
767 1 119 ILE HA 1 122 GLN HA 3.900 . 6.000 4.953 4.871 5.031 . 0 0 "[ . 1]" 1
768 1 119 ILE HA 1 122 GLN QB 3.900 . 6.000 2.147 2.040 2.353 . 0 0 "[ . 1]" 1
769 1 119 ILE HA 1 122 GLN QG 4.400 . 7.000 3.868 3.815 3.888 . 0 0 "[ . 1]" 1
770 1 119 ILE MG 1 120 VAL QG 4.900 . 8.000 4.391 4.261 4.712 . 0 0 "[ . 1]" 1
771 1 119 ILE MG 1 122 GLN QB 4.650 . 7.500 3.714 3.538 3.825 . 0 0 "[ . 1]" 1
772 1 119 ILE O 1 123 ASP H 1.900 . 2.000 2.031 1.987 2.051 0.051 10 0 "[ . 1]" 1
773 1 119 ILE O 1 123 ASP N 2.400 . 3.000 2.641 2.551 2.693 . 0 0 "[ . 1]" 1
774 1 120 VAL HA 1 123 ASP H 2.650 . 3.500 3.086 2.961 3.341 . 0 0 "[ . 1]" 1
775 1 120 VAL HA 1 123 ASP HA 3.900 . 6.000 5.051 4.950 5.368 . 0 0 "[ . 1]" 1
776 1 120 VAL HB 1 121 VAL MG1 4.650 . 7.500 4.814 3.247 5.045 . 0 0 "[ . 1]" 1
777 1 120 VAL QG 1 121 VAL HA 4.650 . 7.500 3.013 2.942 3.173 . 0 0 "[ . 1]" 1
778 1 120 VAL QG 1 121 VAL HB 4.650 . 7.500 4.180 4.049 4.616 . 0 0 "[ . 1]" 1
779 1 120 VAL QG 1 121 VAL MG1 4.900 . 8.000 2.493 2.317 3.192 . 0 0 "[ . 1]" 1
780 1 120 VAL QG 1 121 VAL MG2 4.900 . 8.000 4.183 4.093 4.629 . 0 0 "[ . 1]" 1
781 1 120 VAL QG 1 123 ASP QB 5.150 . 8.500 3.909 3.732 3.944 . 0 0 "[ . 1]" 1
782 1 120 VAL QG 1 125 ILE HA 4.650 . 7.500 4.093 3.520 4.370 . 0 0 "[ . 1]" 1
783 1 120 VAL QG 1 125 ILE HB 4.150 . 6.500 2.337 1.842 2.760 . 0 0 "[ . 1]" 1
784 1 120 VAL QG 1 125 ILE QG 5.150 . 8.500 3.181 2.831 3.530 . 0 0 "[ . 1]" 1
785 1 120 VAL QG 1 147 LEU HA 4.650 . 7.500 5.433 5.128 6.023 . 0 0 "[ . 1]" 1
786 1 120 VAL QG 1 147 LEU MD1 4.900 . 8.000 2.955 2.503 3.464 . 0 0 "[ . 1]" 1
787 1 120 VAL QG 1 147 LEU HG 4.650 . 7.500 3.550 2.637 3.980 . 0 0 "[ . 1]" 1
788 1 120 VAL O 1 124 GLY H 1.900 . 2.000 2.043 2.014 2.063 0.063 4 0 "[ . 1]" 1
789 1 120 VAL O 1 124 GLY N 2.400 . 3.000 2.506 2.463 2.638 . 0 0 "[ . 1]" 1
790 1 121 VAL HA 1 122 GLN HA 3.900 . 6.000 4.743 4.712 4.758 . 0 0 "[ . 1]" 1
791 1 121 VAL HA 1 124 GLY H 2.650 . 3.500 3.202 2.979 3.386 . 0 0 "[ . 1]" 1
792 1 121 VAL HA 1 147 LEU HA 3.900 . 6.000 4.793 4.688 5.012 . 0 0 "[ . 1]" 1
793 1 121 VAL HA 1 147 LEU MD1 4.650 . 7.500 2.827 1.733 3.351 0.067 9 0 "[ . 1]" 1
794 1 121 VAL MG1 1 122 GLN QG 5.150 . 8.500 6.066 6.003 6.106 . 0 0 "[ . 1]" 1
795 1 121 VAL MG1 1 147 LEU HA 4.150 . 6.500 4.176 3.996 4.579 . 0 0 "[ . 1]" 1
796 1 121 VAL MG1 1 147 LEU QB 5.150 . 8.500 2.557 2.301 2.965 . 0 0 "[ . 1]" 1
797 1 121 VAL MG1 1 148 ALA HA 4.650 . 7.500 5.790 5.498 5.928 . 0 0 "[ . 1]" 1
798 1 121 VAL MG1 1 149 PRO QG 5.150 . 8.500 5.526 4.822 5.940 . 0 0 "[ . 1]" 1
799 1 121 VAL MG2 1 122 GLN HA 4.150 . 6.500 2.948 2.928 3.013 . 0 0 "[ . 1]" 1
800 1 121 VAL MG2 1 122 GLN QG 5.150 . 8.500 4.369 4.289 4.437 . 0 0 "[ . 1]" 1
801 1 121 VAL MG2 1 147 LEU HA 4.650 . 7.500 5.111 4.986 5.409 . 0 0 "[ . 1]" 1
802 1 121 VAL MG2 1 148 ALA MB 5.400 . 9.000 5.489 4.753 5.673 . 0 0 "[ . 1]" 1
803 1 122 GLN HA 1 122 GLN QG 3.400 . 5.000 2.563 2.517 2.636 . 0 0 "[ . 1]" 1
804 1 123 ASP QB 1 125 ILE HA 4.400 . 7.000 4.847 4.586 5.000 . 0 0 "[ . 1]" 1
805 1 123 ASP QB 1 125 ILE HB 4.400 . 7.000 3.971 3.157 4.332 . 0 0 "[ . 1]" 1
806 1 123 ASP QB 1 125 ILE QG 4.900 . 8.000 2.184 1.934 2.748 . 0 0 "[ . 1]" 1
807 1 123 ASP QB 1 125 ILE MG 5.150 . 8.500 4.247 4.145 4.367 . 0 0 "[ . 1]" 1
808 1 124 GLY QA 1 147 LEU MD1 4.650 . 7.500 2.450 2.142 2.785 . 0 0 "[ . 1]" 1
809 1 126 THR HA 1 147 LEU MD1 4.650 . 7.500 3.985 3.748 4.589 . 0 0 "[ . 1]" 1
810 1 126 THR HB 1 127 LEU HG 3.900 . 6.000 4.161 3.581 4.645 . 0 0 "[ . 1]" 1
811 1 126 THR HB 1 146 PHE QD 4.900 . 8.000 3.242 2.195 4.350 . 0 0 "[ . 1]" 1
812 1 126 THR HB 1 147 LEU MD1 4.650 . 7.500 2.121 1.881 3.070 . 0 0 "[ . 1]" 1
813 1 126 THR MG 1 127 LEU MD2 5.400 . 9.000 3.069 1.883 3.726 . 0 0 "[ . 1]" 1
814 1 126 THR MG 1 146 PHE QD 5.650 . 9.500 2.683 1.872 3.688 . 0 0 "[ . 1]" 1
815 1 126 THR MG 1 147 LEU HA 4.650 . 7.500 4.953 4.247 5.965 . 0 0 "[ . 1]" 1
816 1 126 THR MG 1 147 LEU QB 5.150 . 8.500 4.011 3.365 4.663 . 0 0 "[ . 1]" 1
817 1 126 THR MG 1 147 LEU MD1 5.400 . 9.000 3.259 2.943 3.683 . 0 0 "[ . 1]" 1
818 1 127 LEU HA 1 127 LEU MD2 4.150 . 6.500 3.939 3.535 4.134 . 0 0 "[ . 1]" 1
819 1 127 LEU HA 1 127 LEU HG 3.400 . 5.000 3.742 3.698 3.801 . 0 0 "[ . 1]" 1
820 1 127 LEU HA 1 128 ILE MD 4.650 . 7.500 3.799 3.683 3.892 . 0 0 "[ . 1]" 1
821 1 127 LEU HA 1 129 THR MG 4.150 . 6.500 5.662 5.501 5.800 . 0 0 "[ . 1]" 1
822 1 127 LEU HA 1 146 PHE QB 4.400 . 7.000 5.307 5.140 5.459 . 0 0 "[ . 1]" 1
823 1 127 LEU MD2 1 128 ILE HA 4.650 . 7.500 5.513 4.959 5.761 . 0 0 "[ . 1]" 1
824 1 127 LEU MD2 1 128 ILE MD 4.900 . 8.000 5.840 5.340 6.043 . 0 0 "[ . 1]" 1
825 1 127 LEU MD2 1 128 ILE MG 4.900 . 8.000 6.029 5.934 6.175 . 0 0 "[ . 1]" 1
826 1 127 LEU MD2 1 129 THR MG 5.400 . 9.000 4.228 3.514 4.894 . 0 0 "[ . 1]" 1
827 1 127 LEU MD2 1 138 VAL MG1 4.900 . 8.000 6.294 5.814 7.193 . 0 0 "[ . 1]" 1
828 1 127 LEU MD2 1 142 GLU QB 5.150 . 8.500 2.790 2.038 4.110 . 0 0 "[ . 1]" 1
829 1 127 LEU MD2 1 143 ALA MB 4.900 . 8.000 3.296 2.321 3.803 . 0 0 "[ . 1]" 1
830 1 127 LEU MD2 1 146 PHE QD 5.650 . 9.500 2.099 1.553 3.064 0.247 2 0 "[ . 1]" 1
831 1 127 LEU MD2 1 146 PHE QE 5.650 . 9.500 3.947 3.654 4.792 . 0 0 "[ . 1]" 1
832 1 127 LEU HG 1 128 ILE HA 3.900 . 6.000 4.606 4.149 4.816 . 0 0 "[ . 1]" 1
833 1 127 LEU HG 1 128 ILE MD 4.650 . 7.500 5.455 5.138 5.629 . 0 0 "[ . 1]" 1
834 1 127 LEU HG 1 129 THR HA 3.900 . 6.000 3.987 3.485 4.501 . 0 0 "[ . 1]" 1
835 1 127 LEU HG 1 142 GLU QB 4.400 . 7.000 3.475 3.245 3.646 . 0 0 "[ . 1]" 1
836 1 127 LEU HG 1 142 GLU QG 4.400 . 7.000 5.361 5.103 5.785 . 0 0 "[ . 1]" 1
837 1 127 LEU HG 1 143 ALA MB 4.150 . 6.500 3.159 2.957 3.405 . 0 0 "[ . 1]" 1
838 1 127 LEU HG 1 146 PHE HA 3.900 . 6.000 5.959 5.185 6.284 0.284 5 0 "[ . 1]" 1
839 1 127 LEU HG 1 146 PHE QB 4.400 . 7.000 3.306 2.869 3.527 . 0 0 "[ . 1]" 1
840 1 127 LEU HG 1 146 PHE QD 4.900 . 8.000 3.525 2.266 3.931 . 0 0 "[ . 1]" 1
841 1 128 ILE HA 1 128 ILE MD 4.150 . 6.500 2.106 2.074 2.150 . 0 0 "[ . 1]" 1
842 1 128 ILE HA 1 129 THR HA 3.900 . 6.000 4.360 4.329 4.385 . 0 0 "[ . 1]" 1
843 1 128 ILE HA 1 129 THR MG 4.650 . 7.500 3.479 3.365 3.591 . 0 0 "[ . 1]" 1
844 1 128 ILE HA 1 133 ALA MB 4.650 . 7.500 6.751 6.653 6.825 . 0 0 "[ . 1]" 1
845 1 128 ILE HB 1 129 THR HA 3.900 . 6.000 5.165 5.006 5.392 . 0 0 "[ . 1]" 1
846 1 128 ILE MD 1 129 THR HA 4.650 . 7.500 5.836 5.818 5.882 . 0 0 "[ . 1]" 1
847 1 128 ILE MD 1 133 ALA HA 4.650 . 7.500 5.783 5.560 6.005 . 0 0 "[ . 1]" 1
848 1 128 ILE MD 1 133 ALA MB 4.900 . 8.000 5.649 5.496 5.730 . 0 0 "[ . 1]" 1
849 1 128 ILE MG 1 129 THR HA 4.150 . 6.500 4.297 4.141 4.533 . 0 0 "[ . 1]" 1
850 1 128 ILE MG 1 133 ALA HA 4.150 . 6.500 3.956 3.763 4.173 . 0 0 "[ . 1]" 1
851 1 128 ILE MG 1 133 ALA MB 4.900 . 8.000 3.500 3.450 3.534 . 0 0 "[ . 1]" 1
852 1 128 ILE MG 1 143 ALA MB 4.400 . 7.000 5.839 5.646 5.950 . 0 0 "[ . 1]" 1
853 1 129 THR HA 1 131 GLU HA 3.900 . 6.000 6.052 6.026 6.090 0.090 9 0 "[ . 1]" 1
854 1 129 THR HA 1 138 VAL MG1 4.150 . 6.500 4.385 4.049 4.717 . 0 0 "[ . 1]" 1
855 1 129 THR HB 1 140 ALA HA 3.900 . 6.000 1.875 1.804 1.973 . 0 0 "[ . 1]" 1
856 1 129 THR HB 1 140 ALA MB 4.150 . 6.500 3.484 3.250 3.706 . 0 0 "[ . 1]" 1
857 1 129 THR MG 1 138 VAL MG1 4.400 . 7.000 5.343 4.865 5.711 . 0 0 "[ . 1]" 1
858 1 129 THR MG 1 139 THR HA 4.650 . 7.500 5.715 5.135 6.023 . 0 0 "[ . 1]" 1
859 1 129 THR MG 1 140 ALA HA 3.650 . 5.500 2.607 2.076 3.077 . 0 0 "[ . 1]" 1
860 1 129 THR MG 1 140 ALA MB 4.400 . 7.000 3.084 2.689 3.507 . 0 0 "[ . 1]" 1
861 1 130 LYS HA 1 136 SER QB 4.400 . 7.000 3.696 3.339 3.922 . 0 0 "[ . 1]" 1
862 1 130 LYS QG 1 134 SER HA 4.400 . 7.000 4.746 4.341 5.070 . 0 0 "[ . 1]" 1
863 1 131 GLU QG 1 133 ALA HA 4.400 . 7.000 4.399 4.250 4.470 . 0 0 "[ . 1]" 1
864 1 132 GLU HA 1 133 ALA HA 3.900 . 6.000 4.488 4.414 4.684 . 0 0 "[ . 1]" 1
865 1 133 ALA HA 1 134 SER HA 3.900 . 6.000 4.483 4.435 4.546 . 0 0 "[ . 1]" 1
866 1 133 ALA HA 1 136 SER QB 4.400 . 7.000 6.134 5.498 6.525 . 0 0 "[ . 1]" 1
867 1 133 ALA MB 1 134 SER HA 4.650 . 7.500 3.976 3.935 4.012 . 0 0 "[ . 1]" 1
868 1 133 ALA MB 1 136 SER HA 4.650 . 7.500 4.516 4.292 4.807 . 0 0 "[ . 1]" 1
869 1 133 ALA MB 1 136 SER QB 5.150 . 8.500 3.246 2.659 3.613 . 0 0 "[ . 1]" 1
870 1 136 SER QB 1 138 VAL MG1 4.650 . 7.500 4.531 4.257 4.680 . 0 0 "[ . 1]" 1
871 1 137 SER HA 1 139 THR MG 4.650 . 7.500 6.059 5.111 6.831 . 0 0 "[ . 1]" 1
872 1 139 THR HA 1 140 ALA MB 4.650 . 7.500 4.263 4.213 4.342 . 0 0 "[ . 1]" 1
873 1 139 THR HB 1 140 ALA MB 4.650 . 7.500 4.362 3.609 5.042 . 0 0 "[ . 1]" 1
874 1 140 ALA HA 1 143 ALA H 2.650 . 3.500 3.400 3.158 3.523 0.023 8 0 "[ . 1]" 1
875 1 140 ALA HA 1 143 ALA MB 4.150 . 6.500 3.073 2.167 3.494 . 0 0 "[ . 1]" 1
876 1 140 ALA MB 1 141 GLU QG 5.150 . 8.500 4.236 4.134 4.402 . 0 0 "[ . 1]" 1
877 1 140 ALA O 1 144 LYS H 1.900 . 2.000 1.912 1.840 2.015 0.015 2 0 "[ . 1]" 1
878 1 140 ALA O 1 144 LYS N 2.400 . 3.000 2.787 2.434 2.960 . 0 0 "[ . 1]" 1
879 1 141 GLU HA 1 141 GLU QG 3.400 . 5.000 2.286 2.231 2.324 . 0 0 "[ . 1]" 1
880 1 141 GLU HA 1 144 LYS H 2.650 . 3.500 3.338 3.101 3.598 0.098 10 0 "[ . 1]" 1
881 1 141 GLU HA 1 144 LYS HA 3.900 . 6.000 4.954 4.714 5.555 . 0 0 "[ . 1]" 1
882 1 141 GLU HA 1 144 LYS QD 3.900 . 6.000 1.916 1.745 2.340 0.055 9 0 "[ . 1]" 1
883 1 141 GLU HA 1 144 LYS QE 3.900 . 6.000 3.308 2.654 3.451 . 0 0 "[ . 1]" 1
884 1 141 GLU O 1 145 LYS H 1.900 . 2.000 2.062 2.025 2.141 0.141 9 0 "[ . 1]" 1
885 1 141 GLU O 1 145 LYS N 2.400 . 3.000 2.823 2.697 3.070 0.070 9 0 "[ . 1]" 1
886 1 142 GLU HA 1 145 LYS H 2.650 . 3.500 3.574 3.467 3.633 0.133 5 0 "[ . 1]" 1
887 1 142 GLU O 1 146 PHE H 1.900 . 2.000 2.058 1.984 2.095 0.095 8 0 "[ . 1]" 1
888 1 142 GLU O 1 146 PHE N 2.400 . 3.000 2.898 2.763 2.991 . 0 0 "[ . 1]" 1
889 1 143 ALA HA 1 146 PHE H 2.650 . 3.500 3.097 2.889 3.307 . 0 0 "[ . 1]" 1
890 1 143 ALA HA 1 146 PHE QB 4.400 . 7.000 2.750 2.631 2.852 . 0 0 "[ . 1]" 1
891 1 143 ALA HA 1 146 PHE QD 4.900 . 8.000 4.094 2.560 4.581 . 0 0 "[ . 1]" 1
892 1 143 ALA MB 1 146 PHE QB 5.150 . 8.500 3.941 3.844 4.059 . 0 0 "[ . 1]" 1
893 1 143 ALA MB 1 146 PHE QD 5.150 . 8.500 4.871 3.251 5.424 . 0 0 "[ . 1]" 1
894 1 146 PHE HA 1 146 PHE QD 3.900 . 6.000 2.731 1.744 3.519 0.056 3 0 "[ . 1]" 1
895 1 146 PHE HA 1 146 PHE QE 4.400 . 7.000 4.643 4.084 5.620 . 0 0 "[ . 1]" 1
896 1 146 PHE QD 1 147 LEU HA 4.900 . 8.000 3.813 3.083 4.681 . 0 0 "[ . 1]" 1
897 1 146 PHE QD 1 147 LEU MD1 5.650 . 9.500 3.570 2.559 4.538 . 0 0 "[ . 1]" 1
898 1 146 PHE QE 1 147 LEU HA 4.900 . 8.000 5.406 4.963 5.818 . 0 0 "[ . 1]" 1
899 1 146 PHE QE 1 147 LEU MD1 5.650 . 9.500 4.898 2.579 6.067 . 0 0 "[ . 1]" 1
900 1 147 LEU HA 1 147 LEU MD1 3.650 . 5.500 3.449 3.381 3.722 . 0 0 "[ . 1]" 1
901 1 147 LEU MD1 1 149 PRO QD 5.150 . 8.500 6.101 4.307 6.641 . 0 0 "[ . 1]" 1
902 1 148 ALA HA 1 149 PRO HA 3.900 . 6.000 4.437 4.430 4.446 . 0 0 "[ . 1]" 1
903 1 148 ALA HA 1 149 PRO QB 3.900 . 6.000 4.662 4.479 4.716 . 0 0 "[ . 1]" 1
904 1 148 ALA HA 1 149 PRO QD 3.900 . 6.000 1.808 1.740 1.837 0.060 2 0 "[ . 1]" 1
905 1 148 ALA HA 1 149 PRO QG 3.900 . 6.000 3.610 3.512 3.731 . 0 0 "[ . 1]" 1
906 1 148 ALA MB 1 149 PRO QB 5.150 . 8.500 4.661 4.608 4.764 . 0 0 "[ . 1]" 1
907 1 148 ALA MB 1 149 PRO QD 4.650 . 7.500 2.427 2.341 2.577 . 0 0 "[ . 1]" 1
908 1 148 ALA MB 1 149 PRO QG 4.650 . 7.500 4.141 4.072 4.248 . 0 0 "[ . 1]" 1
909 1 149 PRO HA 1 149 PRO QG 3.400 . 5.000 3.324 3.176 3.528 . 0 0 "[ . 1]" 1
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