NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
477570 |
2kyx   |
16989 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kyx
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 1037
_Distance_constraint_stats_list.Viol_count 870
_Distance_constraint_stats_list.Viol_total 424.752
_Distance_constraint_stats_list.Viol_max 0.171
_Distance_constraint_stats_list.Viol_rms 0.0170
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0488
_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 THR 0.000 0.000 . 0 "[ . 1]"
1 4 THR 0.000 0.000 . 0 "[ . 1]"
1 5 LYS 0.045 0.013 7 0 "[ . 1]"
1 6 ARG 0.820 0.171 7 0 "[ . 1]"
1 7 VAL 1.273 0.102 8 0 "[ . 1]"
1 8 LEU 0.000 0.000 . 0 "[ . 1]"
1 9 TYR 1.594 0.097 3 0 "[ . 1]"
1 10 VAL 0.019 0.012 4 0 "[ . 1]"
1 11 GLY 0.679 0.109 5 0 "[ . 1]"
1 12 GLY 0.941 0.117 6 0 "[ . 1]"
1 13 LEU 4.165 0.162 4 0 "[ . 1]"
1 14 ALA 1.029 0.092 7 0 "[ . 1]"
1 15 GLU 0.077 0.053 5 0 "[ . 1]"
1 16 GLU 0.877 0.076 5 0 "[ . 1]"
1 17 VAL 1.402 0.139 10 0 "[ . 1]"
1 18 ASP 3.309 0.139 10 0 "[ . 1]"
1 19 ASP 1.231 0.138 7 0 "[ . 1]"
1 20 LYS 2.682 0.158 2 0 "[ . 1]"
1 21 VAL 3.546 0.161 4 0 "[ . 1]"
1 22 LEU 2.895 0.138 6 0 "[ . 1]"
1 23 HIS 2.531 0.130 7 0 "[ . 1]"
1 24 ALA 0.689 0.044 2 0 "[ . 1]"
1 25 ALA 1.483 0.101 5 0 "[ . 1]"
1 26 PHE 2.777 0.124 7 0 "[ . 1]"
1 27 ILE 2.755 0.099 10 0 "[ . 1]"
1 28 PRO 0.077 0.011 4 0 "[ . 1]"
1 29 PHE 1.339 0.101 5 0 "[ . 1]"
1 30 GLY 0.781 0.089 3 0 "[ . 1]"
1 31 ASP 1.737 0.093 9 0 "[ . 1]"
1 32 ILE 4.143 0.111 4 0 "[ . 1]"
1 33 THR 3.283 0.123 7 0 "[ . 1]"
1 34 ASP 2.226 0.103 10 0 "[ . 1]"
1 35 ILE 0.708 0.054 1 0 "[ . 1]"
1 36 GLN 0.123 0.043 10 0 "[ . 1]"
1 37 ILE 0.332 0.069 10 0 "[ . 1]"
1 38 PRO 0.735 0.156 2 0 "[ . 1]"
1 39 LEU 1.165 0.156 2 0 "[ . 1]"
1 40 ASP 0.321 0.059 8 0 "[ . 1]"
1 41 TYR 0.122 0.054 7 0 "[ . 1]"
1 42 GLU 0.326 0.054 7 0 "[ . 1]"
1 43 THR 0.430 0.117 8 0 "[ . 1]"
1 44 GLU 0.305 0.059 7 0 "[ . 1]"
1 45 LYS 0.575 0.117 8 0 "[ . 1]"
1 46 HIS 0.485 0.069 10 0 "[ . 1]"
1 47 ARG 0.000 0.000 . 0 "[ . 1]"
1 48 GLY 0.898 0.089 6 0 "[ . 1]"
1 49 PHE 2.603 0.162 4 0 "[ . 1]"
1 50 ALA 1.514 0.109 5 0 "[ . 1]"
1 51 PHE 0.044 0.032 2 0 "[ . 1]"
1 52 VAL 0.540 0.071 8 0 "[ . 1]"
1 53 GLU 1.960 0.111 4 0 "[ . 1]"
1 54 PHE 0.863 0.092 3 0 "[ . 1]"
1 55 GLU 2.123 0.114 10 0 "[ . 1]"
1 56 LEU 1.922 0.114 10 0 "[ . 1]"
1 57 ALA 0.075 0.049 7 0 "[ . 1]"
1 58 GLU 0.000 0.000 . 0 "[ . 1]"
1 59 ASP 0.075 0.022 6 0 "[ . 1]"
1 60 ALA 0.259 0.171 7 0 "[ . 1]"
1 61 ALA 0.064 0.030 4 0 "[ . 1]"
1 62 ALA 1.264 0.126 6 0 "[ . 1]"
1 63 ALA 0.526 0.059 8 0 "[ . 1]"
1 64 ILE 2.132 0.126 6 0 "[ . 1]"
1 65 ASP 0.185 0.035 10 0 "[ . 1]"
1 66 ASN 1.002 0.116 9 0 "[ . 1]"
1 67 MET 0.100 0.026 2 0 "[ . 1]"
1 68 ASN 0.412 0.063 5 0 "[ . 1]"
1 69 GLU 0.284 0.063 5 0 "[ . 1]"
1 70 SER 0.040 0.036 3 0 "[ . 1]"
1 71 GLU 0.040 0.036 3 0 "[ . 1]"
1 72 LEU 0.730 0.129 3 0 "[ . 1]"
1 73 PHE 0.522 0.161 4 0 "[ . 1]"
1 74 GLY 0.000 0.000 . 0 "[ . 1]"
1 75 ARG 1.697 0.085 7 0 "[ . 1]"
1 76 THR 0.946 0.094 2 0 "[ . 1]"
1 77 ILE 1.334 0.094 2 0 "[ . 1]"
1 78 ARG 0.757 0.092 9 0 "[ . 1]"
1 79 VAL 0.370 0.059 8 0 "[ . 1]"
1 80 ASN 0.655 0.093 2 0 "[ . 1]"
1 81 LEU 0.000 0.000 . 0 "[ . 1]"
1 82 ALA 0.000 0.000 . 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 3 THR HA 1 3 THR MG 3.300 . 3.300 2.473 2.094 3.223 . 0 0 "[ . 1]" 1
2 1 4 THR HA 1 4 THR MG 3.300 . 3.300 2.543 2.161 3.231 . 0 0 "[ . 1]" 1
3 1 4 THR MG 1 5 LYS H 6.000 . 6.000 3.586 2.041 4.302 . 0 0 "[ . 1]" 1
4 1 5 LYS H 1 6 ARG H 4.400 . 4.400 4.304 4.072 4.411 0.011 2 0 "[ . 1]" 1
5 1 5 LYS HA 1 6 ARG H 3.500 . 3.500 2.455 2.137 3.504 0.004 3 0 "[ . 1]" 1
6 1 5 LYS QB 1 5 LYS QE 4.400 . 4.400 3.158 2.288 3.672 . 0 0 "[ . 1]" 1
7 1 5 LYS QB 1 6 ARG H 4.400 . 4.400 2.727 1.919 3.645 . 0 0 "[ . 1]" 1
8 1 5 LYS QB 1 7 VAL H 4.400 . 4.400 3.520 2.265 4.413 0.013 7 0 "[ . 1]" 1
9 1 6 ARG H 1 6 ARG QB . . 3.500 2.890 2.487 3.171 . 0 0 "[ . 1]" 1
10 1 6 ARG H 1 6 ARG QD 5.500 . 5.500 4.438 3.366 5.508 0.008 8 0 "[ . 1]" 1
11 1 6 ARG H 1 6 ARG QG 4.400 . 4.400 3.433 2.022 4.384 . 0 0 "[ . 1]" 1
12 1 6 ARG H 1 7 VAL H 3.500 . 3.500 1.979 1.818 2.809 . 0 0 "[ . 1]" 1
13 1 6 ARG H 1 7 VAL HA 4.400 . 4.400 4.428 4.202 4.497 0.097 9 0 "[ . 1]" 1
14 1 6 ARG H 1 7 VAL MG1 4.900 . 4.900 4.208 3.272 4.954 0.054 6 0 "[ . 1]" 1
15 1 6 ARG H 1 57 ALA HA 5.500 . 5.500 5.164 4.689 5.494 . 0 0 "[ . 1]" 1
16 1 6 ARG HA 1 6 ARG QD 4.400 . 4.400 3.649 2.211 4.123 . 0 0 "[ . 1]" 1
17 1 6 ARG HA 1 7 VAL H . . 3.500 3.271 2.517 3.531 0.031 9 0 "[ . 1]" 1
18 1 6 ARG HA 1 57 ALA HA 4.400 . 4.400 3.062 2.762 4.412 0.012 7 0 "[ . 1]" 1
19 1 6 ARG HA 1 57 ALA MB 4.900 . 4.900 3.802 3.399 4.824 . 0 0 "[ . 1]" 1
20 1 6 ARG HA 1 60 ALA MB . . 3.300 2.881 2.270 3.471 0.171 7 0 "[ . 1]" 1
21 1 6 ARG QB 1 7 VAL H 4.400 . 4.400 3.335 2.426 3.955 . 0 0 "[ . 1]" 1
22 1 6 ARG QB 1 54 PHE H 4.400 . 4.400 2.890 2.165 3.497 . 0 0 "[ . 1]" 1
23 1 6 ARG QB 1 57 ALA H 5.500 . 5.500 4.852 3.613 5.514 0.014 8 0 "[ . 1]" 1
24 1 6 ARG QD 1 57 ALA H . . 4.400 3.620 3.169 4.400 0.000 7 0 "[ . 1]" 1
25 1 6 ARG QD 1 57 ALA MB 4.900 . 4.900 3.030 2.100 3.821 . 0 0 "[ . 1]" 1
26 1 6 ARG QG 1 57 ALA HA 4.400 . 4.400 2.704 1.945 4.218 . 0 0 "[ . 1]" 1
27 1 7 VAL H 1 7 VAL HB . . 3.500 3.513 3.005 3.602 0.102 8 0 "[ . 1]" 1
28 1 7 VAL H 1 7 VAL MG1 . . 4.000 3.068 2.618 3.917 . 0 0 "[ . 1]" 1
29 1 7 VAL H 1 8 LEU H 5.500 . 5.500 4.456 4.309 4.547 . 0 0 "[ . 1]" 1
30 1 7 VAL HA 1 7 VAL MG1 3.300 . 3.300 2.152 1.997 2.316 . 0 0 "[ . 1]" 1
31 1 7 VAL HA 1 8 LEU H 3.500 . 3.500 2.164 2.136 2.193 . 0 0 "[ . 1]" 1
32 1 7 VAL HA 1 53 GLU HA 4.400 . 4.400 2.321 2.104 2.583 . 0 0 "[ . 1]" 1
33 1 7 VAL HA 1 53 GLU QG 4.400 . 4.400 4.189 3.066 4.402 0.002 7 0 "[ . 1]" 1
34 1 7 VAL HA 1 54 PHE H 4.400 . 4.400 3.825 3.628 4.126 . 0 0 "[ . 1]" 1
35 1 7 VAL HB 1 8 LEU H 4.400 . 4.400 3.320 3.092 3.841 . 0 0 "[ . 1]" 1
36 1 7 VAL QG 1 8 LEU H 4.000 . 4.000 3.304 2.446 3.481 . 0 0 "[ . 1]" 1
37 1 7 VAL QG 1 51 PHE QB 4.900 . 4.900 3.341 2.601 3.828 . 0 0 "[ . 1]" 1
38 1 7 VAL QG 1 52 VAL H 4.900 . 4.900 4.418 3.251 4.856 . 0 0 "[ . 1]" 1
39 1 7 VAL MG1 1 8 LEU H 4.900 . 4.900 3.505 2.460 3.804 . 0 0 "[ . 1]" 1
40 1 7 VAL MG1 1 53 GLU HA 4.900 . 4.900 2.861 2.481 3.149 . 0 0 "[ . 1]" 1
41 1 7 VAL MG1 1 53 GLU QB 3.300 . 3.300 2.199 1.906 3.331 0.031 10 0 "[ . 1]" 1
42 1 7 VAL MG1 1 53 GLU QG 4.900 . 4.900 3.314 1.793 4.193 0.007 10 0 "[ . 1]" 1
43 1 7 VAL MG1 1 54 PHE H 4.900 . 4.900 4.267 3.863 4.823 . 0 0 "[ . 1]" 1
44 1 7 VAL MG2 1 51 PHE QD 1.800 . 4.200 3.882 3.555 4.211 0.011 6 0 "[ . 1]" 1
45 1 8 LEU H 1 8 LEU QB . . 3.500 2.729 2.649 2.830 . 0 0 "[ . 1]" 1
46 1 8 LEU H 1 8 LEU MD1 4.900 . 4.900 3.858 3.723 3.999 . 0 0 "[ . 1]" 1
47 1 8 LEU H 1 8 LEU MD2 4.900 . 4.900 3.357 3.031 3.689 . 0 0 "[ . 1]" 1
48 1 8 LEU H 1 8 LEU HG 3.500 . 3.500 2.490 2.266 2.657 . 0 0 "[ . 1]" 1
49 1 8 LEU H 1 9 TYR H 5.500 . 5.500 4.512 4.489 4.544 . 0 0 "[ . 1]" 1
50 1 8 LEU H 1 10 VAL QG 6.000 . 6.000 5.333 5.245 5.449 . 0 0 "[ . 1]" 1
51 1 8 LEU H 1 51 PHE HA 5.500 . 5.500 4.423 4.212 4.686 . 0 0 "[ . 1]" 1
52 1 8 LEU H 1 52 VAL H 4.400 . 4.400 2.829 2.596 3.063 . 0 0 "[ . 1]" 1
53 1 8 LEU H 1 52 VAL MG1 4.900 . 4.900 4.411 4.073 4.728 . 0 0 "[ . 1]" 1
54 1 8 LEU H 1 53 GLU H 5.500 . 5.500 4.746 4.627 4.910 . 0 0 "[ . 1]" 1
55 1 8 LEU H 1 53 GLU HA 4.400 . 4.400 3.495 3.348 3.861 . 0 0 "[ . 1]" 1
56 1 8 LEU H 1 81 LEU HA 5.500 . 5.500 5.242 5.062 5.491 . 0 0 "[ . 1]" 1
57 1 8 LEU HA 1 8 LEU MD2 . . 3.300 2.314 2.052 2.525 . 0 0 "[ . 1]" 1
58 1 8 LEU HA 1 9 TYR H 2.800 . 2.800 2.354 2.317 2.377 . 0 0 "[ . 1]" 1
59 1 8 LEU HA 1 64 ILE MD 4.900 . 4.900 4.506 3.949 4.690 . 0 0 "[ . 1]" 1
60 1 8 LEU HA 1 81 LEU HA 4.400 . 4.400 2.781 2.478 2.971 . 0 0 "[ . 1]" 1
61 1 8 LEU QB 1 9 TYR H 4.400 . 4.400 2.553 2.462 2.673 . 0 0 "[ . 1]" 1
62 1 8 LEU QB 1 52 VAL H 4.400 . 4.400 3.240 3.070 3.401 . 0 0 "[ . 1]" 1
63 1 8 LEU QB 1 52 VAL HB 4.400 . 4.400 2.673 2.427 2.921 . 0 0 "[ . 1]" 1
64 1 8 LEU QB 1 52 VAL QG 4.900 . 4.900 3.223 3.020 3.528 . 0 0 "[ . 1]" 1
65 1 8 LEU QB 1 80 ASN H 5.500 . 5.500 2.815 2.592 3.055 . 0 0 "[ . 1]" 1
66 1 8 LEU MD1 1 26 PHE HD2 1.800 . 4.200 3.491 3.362 3.719 . 0 0 "[ . 1]" 1
67 1 8 LEU MD1 1 26 PHE QE 4.900 . 4.900 3.899 3.698 4.096 . 0 0 "[ . 1]" 1
68 1 8 LEU MD1 1 26 PHE HE2 1.800 . 4.200 3.914 3.710 4.115 . 0 0 "[ . 1]" 1
69 1 8 LEU MD1 1 52 VAL HB 4.900 . 4.900 3.164 2.726 3.467 . 0 0 "[ . 1]" 1
70 1 8 LEU MD1 1 60 ALA HA 4.900 . 4.900 2.427 2.038 2.793 . 0 0 "[ . 1]" 1
71 1 8 LEU MD1 1 60 ALA MB 3.800 . 3.800 2.175 1.937 2.329 . 0 0 "[ . 1]" 1
72 1 8 LEU MD1 1 63 ALA H 4.900 . 4.900 3.753 3.517 4.122 . 0 0 "[ . 1]" 1
73 1 8 LEU MD1 1 63 ALA MB 3.800 . 3.800 2.170 1.972 2.472 . 0 0 "[ . 1]" 1
74 1 8 LEU MD1 1 80 ASN H 4.900 . 4.900 4.382 4.204 4.535 . 0 0 "[ . 1]" 1
75 1 8 LEU MD2 1 9 TYR H 4.900 . 4.900 3.806 3.642 4.058 . 0 0 "[ . 1]" 1
76 1 8 LEU MD2 1 54 PHE QD 4.900 . 4.900 4.195 3.777 4.708 . 0 0 "[ . 1]" 1
77 1 8 LEU MD2 1 60 ALA HA 4.900 . 4.900 3.788 3.472 4.193 . 0 0 "[ . 1]" 1
78 1 8 LEU MD2 1 60 ALA MB 3.800 . 3.800 2.011 1.876 2.331 . 0 0 "[ . 1]" 1
79 1 8 LEU MD2 1 63 ALA MB 5.400 . 5.400 4.134 3.997 4.370 . 0 0 "[ . 1]" 1
80 1 8 LEU MD2 1 64 ILE H 4.900 . 4.900 4.323 4.095 4.580 . 0 0 "[ . 1]" 1
81 1 8 LEU MD2 1 80 ASN H 6.000 . 6.000 4.020 3.660 4.456 . 0 0 "[ . 1]" 1
82 1 8 LEU MD2 1 80 ASN HA 4.900 . 4.900 4.122 3.861 4.472 . 0 0 "[ . 1]" 1
83 1 8 LEU MD2 1 81 LEU HA 4.900 . 4.900 2.182 1.955 2.390 . 0 0 "[ . 1]" 1
84 1 9 TYR H 1 9 TYR QD 5.500 . 5.500 4.295 4.211 4.315 . 0 0 "[ . 1]" 1
85 1 9 TYR H 1 10 VAL H 5.500 . 5.500 4.464 4.449 4.489 . 0 0 "[ . 1]" 1
86 1 9 TYR H 1 10 VAL QG 6.000 . 6.000 4.377 4.297 4.454 . 0 0 "[ . 1]" 1
87 1 9 TYR H 1 51 PHE QD 5.500 . 5.500 4.850 4.495 5.111 . 0 0 "[ . 1]" 1
88 1 9 TYR H 1 79 VAL HA 5.500 . 5.500 3.853 3.714 4.078 . 0 0 "[ . 1]" 1
89 1 9 TYR H 1 79 VAL MG1 4.900 . 4.900 3.023 2.635 3.336 . 0 0 "[ . 1]" 1
90 1 9 TYR H 1 80 ASN H 3.500 . 3.500 2.219 2.141 2.296 . 0 0 "[ . 1]" 1
91 1 9 TYR H 1 80 ASN HA 4.400 . 4.400 4.465 4.436 4.493 0.093 2 0 "[ . 1]" 1
92 1 9 TYR H 1 81 LEU HA 4.400 . 4.400 4.224 3.831 4.344 . 0 0 "[ . 1]" 1
93 1 9 TYR H 1 82 ALA MB 4.900 . 4.900 4.250 3.617 4.645 . 0 0 "[ . 1]" 1
94 1 9 TYR HA 1 10 VAL H 4.400 . 4.400 2.197 2.177 2.206 . 0 0 "[ . 1]" 1
95 1 9 TYR HA 1 50 ALA H 5.500 . 5.500 4.629 4.515 4.673 . 0 0 "[ . 1]" 1
96 1 9 TYR HA 1 51 PHE HA 4.400 . 4.400 2.535 2.270 2.716 . 0 0 "[ . 1]" 1
97 1 9 TYR HA 1 51 PHE QD 1.800 . 4.200 3.675 3.409 3.870 . 0 0 "[ . 1]" 1
98 1 9 TYR QD 1 11 GLY H 5.500 . 5.500 3.566 3.437 4.420 . 0 0 "[ . 1]" 1
99 1 9 TYR QD 1 51 PHE QE 1.800 . 5.500 2.673 2.388 2.955 . 0 0 "[ . 1]" 1
100 1 9 TYR QE 1 10 VAL MG2 1.800 . 5.500 5.427 5.376 5.494 . 0 0 "[ . 1]" 1
101 1 9 TYR QE 1 11 GLY H 4.400 . 4.400 4.404 4.375 4.457 0.057 3 0 "[ . 1]" 1
102 1 9 TYR QE 1 11 GLY QA . . 4.200 2.693 2.607 2.842 . 0 0 "[ . 1]" 1
103 1 9 TYR QE 1 49 PHE H 5.500 . 5.500 5.566 5.498 5.597 0.097 3 0 "[ . 1]" 1
104 1 9 TYR QE 1 49 PHE HA 1.800 . 5.500 3.681 3.501 4.205 . 0 0 "[ . 1]" 1
105 1 9 TYR QE 1 49 PHE QB 1.800 . 4.200 1.948 1.852 2.097 . 0 0 "[ . 1]" 1
106 1 9 TYR QE 1 50 ALA H 1.800 . 5.500 3.685 3.498 3.797 . 0 0 "[ . 1]" 1
107 1 9 TYR QE 1 50 ALA MB 1.800 . 5.500 5.479 5.106 5.547 0.047 9 0 "[ . 1]" 1
108 1 9 TYR QE 1 51 PHE QE 1.800 . 4.200 3.022 2.713 3.632 . 0 0 "[ . 1]" 1
109 1 10 VAL H 1 10 VAL HB 4.400 . 4.400 2.664 2.609 2.692 . 0 0 "[ . 1]" 1
110 1 10 VAL H 1 50 ALA H 4.400 . 4.400 2.846 2.797 2.879 . 0 0 "[ . 1]" 1
111 1 10 VAL H 1 50 ALA HA 5.500 . 5.500 4.748 4.625 4.825 . 0 0 "[ . 1]" 1
112 1 10 VAL H 1 51 PHE HA 5.500 . 5.500 3.457 3.268 3.606 . 0 0 "[ . 1]" 1
113 1 10 VAL HA 1 11 GLY H 2.800 . 2.800 2.159 2.143 2.179 . 0 0 "[ . 1]" 1
114 1 10 VAL HB 1 50 ALA H 4.400 . 4.400 2.575 2.497 2.725 . 0 0 "[ . 1]" 1
115 1 10 VAL QG 1 11 GLY H 4.900 . 4.900 2.662 2.471 2.743 . 0 0 "[ . 1]" 1
116 1 10 VAL QG 1 50 ALA H 4.900 . 4.900 3.435 3.367 3.533 . 0 0 "[ . 1]" 1
117 1 10 VAL QG 1 52 VAL H 4.900 . 4.900 3.590 3.412 4.052 . 0 0 "[ . 1]" 1
118 1 10 VAL QG 1 52 VAL HB 4.900 . 4.900 3.780 3.659 3.949 . 0 0 "[ . 1]" 1
119 1 10 VAL QG 1 52 VAL QG 3.800 . 3.800 2.040 1.878 2.163 . 0 0 "[ . 1]" 1
120 1 10 VAL MG1 1 11 GLY H . . 4.000 2.694 2.490 2.780 . 0 0 "[ . 1]" 1
121 1 10 VAL MG1 1 13 LEU MD1 5.400 . 5.400 2.444 2.309 2.592 . 0 0 "[ . 1]" 1
122 1 10 VAL MG1 1 26 PHE QE 4.900 . 4.900 3.763 3.489 3.951 . 0 0 "[ . 1]" 1
123 1 10 VAL MG1 1 50 ALA H 4.000 . 4.000 3.960 3.873 4.012 0.012 4 0 "[ . 1]" 1
124 1 10 VAL MG1 1 77 ILE HB 4.900 . 4.900 2.136 1.955 2.353 . 0 0 "[ . 1]" 1
125 1 10 VAL MG1 1 78 ARG H 4.900 . 4.900 3.109 2.883 3.426 . 0 0 "[ . 1]" 1
126 1 10 VAL MG2 1 26 PHE QE 1.800 . 4.200 2.795 2.610 2.987 . 0 0 "[ . 1]" 1
127 1 10 VAL MG2 1 26 PHE HE2 1.800 . 4.200 2.843 2.629 3.037 . 0 0 "[ . 1]" 1
128 1 11 GLY H 1 12 GLY H 4.400 . 4.400 4.247 4.198 4.297 . 0 0 "[ . 1]" 1
129 1 11 GLY H 1 12 GLY QA 5.500 . 5.500 4.694 4.655 4.721 . 0 0 "[ . 1]" 1
130 1 11 GLY H 1 13 LEU MD1 6.000 . 6.000 5.059 4.873 5.240 . 0 0 "[ . 1]" 1
131 1 11 GLY H 1 13 LEU HG 5.500 . 5.500 4.707 4.566 4.836 . 0 0 "[ . 1]" 1
132 1 11 GLY H 1 49 PHE HA 5.500 . 5.500 5.355 5.296 5.465 . 0 0 "[ . 1]" 1
133 1 11 GLY H 1 49 PHE QB 5.500 . 5.500 5.445 5.322 5.535 0.035 6 0 "[ . 1]" 1
134 1 11 GLY H 1 77 ILE HA 5.500 . 5.500 4.128 3.948 4.535 . 0 0 "[ . 1]" 1
135 1 11 GLY H 1 77 ILE MD 6.000 . 6.000 5.474 4.581 6.019 0.019 8 0 "[ . 1]" 1
136 1 11 GLY H 1 78 ARG H 3.500 . 3.500 2.267 2.039 2.672 . 0 0 "[ . 1]" 1
137 1 11 GLY H 1 79 VAL HA 4.400 . 4.400 3.778 3.531 4.005 . 0 0 "[ . 1]" 1
138 1 11 GLY H 1 79 VAL QG 4.900 . 4.900 3.820 3.449 4.069 . 0 0 "[ . 1]" 1
139 1 11 GLY QA 1 12 GLY H . . 3.500 2.115 2.099 2.142 . 0 0 "[ . 1]" 1
140 1 11 GLY QA 1 13 LEU H 4.400 . 4.400 3.815 3.643 4.118 . 0 0 "[ . 1]" 1
141 1 11 GLY QA 1 49 PHE HA 4.400 . 4.400 3.454 3.383 3.646 . 0 0 "[ . 1]" 1
142 1 11 GLY QA 1 50 ALA H 4.400 . 4.400 4.451 4.414 4.509 0.109 5 0 "[ . 1]" 1
143 1 12 GLY H 1 13 LEU H 3.500 . 3.500 2.002 1.896 2.205 . 0 0 "[ . 1]" 1
144 1 12 GLY H 1 13 LEU HA 4.400 . 4.400 4.494 4.480 4.517 0.117 6 0 "[ . 1]" 1
145 1 12 GLY H 1 13 LEU QB 5.500 . 5.500 3.695 3.623 3.768 . 0 0 "[ . 1]" 1
146 1 12 GLY H 1 13 LEU MD1 6.000 . 6.000 4.370 4.252 4.455 . 0 0 "[ . 1]" 1
147 1 12 GLY H 1 13 LEU MD2 6.000 . 6.000 4.695 4.559 4.800 . 0 0 "[ . 1]" 1
148 1 12 GLY H 1 13 LEU HG 4.400 . 4.400 3.441 3.329 3.538 . 0 0 "[ . 1]" 1
149 1 12 GLY H 1 49 PHE HA 4.400 . 4.400 3.895 3.815 3.999 . 0 0 "[ . 1]" 1
150 1 12 GLY H 1 49 PHE QB 5.500 . 5.500 4.582 4.433 4.777 . 0 0 "[ . 1]" 1
151 1 12 GLY H 1 77 ILE MG 4.900 . 4.900 4.115 3.775 4.455 . 0 0 "[ . 1]" 1
152 1 12 GLY QA 1 13 LEU H . . 3.500 2.627 2.520 2.708 . 0 0 "[ . 1]" 1
153 1 12 GLY QA 1 49 PHE QE 1.800 . 4.200 2.835 2.748 3.057 . 0 0 "[ . 1]" 1
154 1 12 GLY QA 1 76 THR H 5.500 . 5.500 4.636 4.433 5.024 . 0 0 "[ . 1]" 1
155 1 12 GLY QA 1 77 ILE HA 4.400 . 4.400 2.466 2.312 2.773 . 0 0 "[ . 1]" 1
156 1 12 GLY QA 1 77 ILE MG 4.900 . 4.900 3.173 2.861 3.455 . 0 0 "[ . 1]" 1
157 1 12 GLY QA 1 78 ARG H 4.400 . 4.400 3.775 3.608 4.041 . 0 0 "[ . 1]" 1
158 1 13 LEU H 1 13 LEU QB . . 3.500 2.275 2.229 2.317 . 0 0 "[ . 1]" 1
159 1 13 LEU H 1 13 LEU MD1 4.900 . 4.900 3.844 3.684 4.046 . 0 0 "[ . 1]" 1
160 1 13 LEU H 1 13 LEU MD2 . . 4.000 3.843 3.698 3.951 . 0 0 "[ . 1]" 1
161 1 13 LEU H 1 13 LEU HG . . 3.500 2.903 2.740 3.097 . 0 0 "[ . 1]" 1
162 1 13 LEU H 1 14 ALA H 4.400 . 4.400 4.434 4.398 4.492 0.092 7 0 "[ . 1]" 1
163 1 13 LEU H 1 17 VAL QG 4.900 . 4.900 4.510 4.422 4.599 . 0 0 "[ . 1]" 1
164 1 13 LEU H 1 48 GLY QA . . 3.500 3.155 3.022 3.264 . 0 0 "[ . 1]" 1
165 1 13 LEU H 1 49 PHE HA 4.400 . 4.400 4.070 3.902 4.180 . 0 0 "[ . 1]" 1
166 1 13 LEU H 1 49 PHE QE 1.800 . 4.200 3.042 2.952 3.190 . 0 0 "[ . 1]" 1
167 1 13 LEU H 1 77 ILE HA 5.500 . 5.500 4.955 4.674 5.180 . 0 0 "[ . 1]" 1
168 1 13 LEU HA 1 13 LEU MD2 3.300 . 3.300 1.927 1.835 2.005 . 0 0 "[ . 1]" 1
169 1 13 LEU HA 1 13 LEU HG 4.400 . 4.400 2.967 2.919 3.052 . 0 0 "[ . 1]" 1
170 1 13 LEU HA 1 14 ALA H 2.800 . 2.800 2.515 2.262 2.616 . 0 0 "[ . 1]" 1
171 1 13 LEU HA 1 14 ALA MB 4.900 . 4.900 3.864 3.749 3.940 . 0 0 "[ . 1]" 1
172 1 13 LEU HA 1 17 VAL MG1 4.900 . 4.900 3.200 2.770 3.568 . 0 0 "[ . 1]" 1
173 1 13 LEU QB 1 14 ALA H 4.400 . 4.400 2.019 1.842 2.594 . 0 0 "[ . 1]" 1
174 1 13 LEU QB 1 17 VAL HB 4.400 . 4.400 3.669 3.369 3.993 . 0 0 "[ . 1]" 1
175 1 13 LEU QB 1 48 GLY QA 4.400 . 4.400 2.281 2.233 2.354 . 0 0 "[ . 1]" 1
176 1 13 LEU QB 1 49 PHE H 5.500 . 5.500 3.671 3.497 3.935 . 0 0 "[ . 1]" 1
177 1 13 LEU QB 1 49 PHE QE 4.400 . 4.400 4.529 4.491 4.562 0.162 4 0 "[ . 1]" 1
178 1 13 LEU MD1 1 14 ALA H 6.000 . 6.000 4.053 3.868 4.431 . 0 0 "[ . 1]" 1
179 1 13 LEU MD1 1 17 VAL H 6.000 . 6.000 5.042 4.868 5.227 . 0 0 "[ . 1]" 1
180 1 13 LEU MD1 1 17 VAL MG1 5.400 . 5.400 1.985 1.891 2.126 . 0 0 "[ . 1]" 1
181 1 13 LEU MD1 1 17 VAL QG 5.400 . 5.400 1.876 1.792 1.990 0.008 2 0 "[ . 1]" 1
182 1 13 LEU MD1 1 22 LEU MD1 5.400 . 5.400 2.804 2.619 2.992 . 0 0 "[ . 1]" 1
183 1 13 LEU MD1 1 22 LEU MD2 3.800 . 3.800 3.095 2.828 3.266 . 0 0 "[ . 1]" 1
184 1 13 LEU MD1 1 37 ILE MD 5.400 . 5.400 4.921 4.490 5.394 . 0 0 "[ . 1]" 1
185 1 13 LEU MD1 1 48 GLY QA 4.900 . 4.900 3.265 3.179 3.368 . 0 0 "[ . 1]" 1
186 1 13 LEU MD1 1 49 PHE H 4.900 . 4.900 3.349 3.124 3.519 . 0 0 "[ . 1]" 1
187 1 13 LEU MD1 1 49 PHE HA 4.900 . 4.900 2.271 2.100 2.481 . 0 0 "[ . 1]" 1
188 1 13 LEU MD1 1 50 ALA H 4.900 . 4.900 2.650 2.482 2.856 . 0 0 "[ . 1]" 1
189 1 13 LEU MD1 1 50 ALA MB 3.800 . 3.800 2.442 2.278 2.677 . 0 0 "[ . 1]" 1
190 1 13 LEU MD2 1 14 ALA H 4.900 . 4.900 2.965 2.772 3.127 . 0 0 "[ . 1]" 1
191 1 13 LEU MD2 1 17 VAL HB 4.900 . 4.900 2.551 2.194 2.880 . 0 0 "[ . 1]" 1
192 1 13 LEU MD2 1 17 VAL MG1 3.800 . 3.800 1.911 1.813 1.991 . 0 0 "[ . 1]" 1
193 1 13 LEU MD2 1 18 ASP H 4.900 . 4.900 4.951 4.837 4.986 0.086 1 0 "[ . 1]" 1
194 1 13 LEU HG 1 48 GLY QA 4.400 . 4.400 4.459 4.418 4.489 0.089 6 0 "[ . 1]" 1
195 1 13 LEU HG 1 49 PHE H 5.500 . 5.500 5.341 5.238 5.410 . 0 0 "[ . 1]" 1
196 1 13 LEU HG 1 49 PHE HA 4.400 . 4.400 3.309 3.192 3.393 . 0 0 "[ . 1]" 1
197 1 13 LEU HG 1 50 ALA H 4.400 . 4.400 4.441 4.383 4.474 0.074 2 0 "[ . 1]" 1
198 1 14 ALA H 1 14 ALA MB 3.300 . 3.300 2.498 2.264 2.618 . 0 0 "[ . 1]" 1
199 1 14 ALA H 1 16 GLU QG 4.400 . 4.400 4.451 4.430 4.476 0.076 5 0 "[ . 1]" 1
200 1 14 ALA H 1 17 VAL HB 4.400 . 4.400 3.417 3.242 3.668 . 0 0 "[ . 1]" 1
201 1 14 ALA H 1 17 VAL MG1 . . 4.000 2.063 1.876 2.336 . 0 0 "[ . 1]" 1
202 1 14 ALA H 1 48 GLY QA 4.400 . 4.400 3.913 3.587 4.303 . 0 0 "[ . 1]" 1
203 1 14 ALA H 1 73 PHE QB 5.500 . 5.500 4.498 4.181 4.893 . 0 0 "[ . 1]" 1
204 1 14 ALA H 1 75 ARG QB 4.400 . 4.400 4.303 3.777 4.456 0.056 5 0 "[ . 1]" 1
205 1 14 ALA H 1 75 ARG QD 4.400 . 4.400 4.104 2.680 4.412 0.012 7 0 "[ . 1]" 1
206 1 14 ALA HA 1 15 GLU H . . 3.500 2.655 2.458 2.770 . 0 0 "[ . 1]" 1
207 1 14 ALA HA 1 16 GLU H 4.400 . 4.400 4.141 4.040 4.234 . 0 0 "[ . 1]" 1
208 1 14 ALA HA 1 75 ARG QD 4.400 . 4.400 3.397 3.065 3.692 . 0 0 "[ . 1]" 1
209 1 14 ALA MB 1 15 GLU H 4.900 . 4.900 2.107 1.896 2.496 . 0 0 "[ . 1]" 1
210 1 14 ALA MB 1 15 GLU HA 4.900 . 4.900 4.181 4.100 4.337 . 0 0 "[ . 1]" 1
211 1 14 ALA MB 1 16 GLU H . . 4.000 2.310 2.135 2.465 . 0 0 "[ . 1]" 1
212 1 14 ALA MB 1 17 VAL H 4.900 . 4.900 3.387 3.253 3.515 . 0 0 "[ . 1]" 1
213 1 14 ALA MB 1 17 VAL MG1 3.800 . 3.800 3.579 3.338 3.841 0.041 6 0 "[ . 1]" 1
214 1 14 ALA MB 1 73 PHE QB 4.900 . 4.900 3.028 2.852 3.466 . 0 0 "[ . 1]" 1
215 1 14 ALA MB 1 73 PHE QD 4.900 . 4.900 3.991 3.671 4.566 . 0 0 "[ . 1]" 1
216 1 14 ALA MB 1 75 ARG QD 4.900 . 4.900 2.226 2.009 2.818 . 0 0 "[ . 1]" 1
217 1 15 GLU H 1 15 GLU QG 4.400 . 4.400 2.967 2.010 4.091 . 0 0 "[ . 1]" 1
218 1 15 GLU HA 1 15 GLU QB 2.800 . 2.800 2.397 2.167 2.518 . 0 0 "[ . 1]" 1
219 1 15 GLU HA 1 16 GLU H 4.400 . 4.400 3.298 3.218 3.452 . 0 0 "[ . 1]" 1
220 1 15 GLU HA 1 17 VAL H 4.400 . 4.400 4.172 3.939 4.335 . 0 0 "[ . 1]" 1
221 1 15 GLU QB 1 16 GLU H 3.500 . 3.500 3.458 3.340 3.553 0.053 5 0 "[ . 1]" 1
222 1 16 GLU H 1 16 GLU QB . . 3.500 2.863 2.809 2.893 . 0 0 "[ . 1]" 1
223 1 16 GLU H 1 16 GLU QG . . 3.500 1.946 1.855 2.016 . 0 0 "[ . 1]" 1
224 1 16 GLU H 1 17 VAL H 3.500 . 3.500 2.362 2.180 2.755 . 0 0 "[ . 1]" 1
225 1 16 GLU H 1 17 VAL MG1 4.900 . 4.900 3.650 3.370 4.115 . 0 0 "[ . 1]" 1
226 1 16 GLU HA 1 16 GLU QB 2.800 . 2.800 2.191 2.176 2.213 . 0 0 "[ . 1]" 1
227 1 16 GLU HA 1 16 GLU QG 2.800 . 2.800 2.822 2.745 2.851 0.051 3 0 "[ . 1]" 1
228 1 16 GLU HA 1 17 VAL H 4.400 . 4.400 3.502 3.447 3.552 . 0 0 "[ . 1]" 1
229 1 16 GLU QB 1 17 VAL H 4.400 . 4.400 2.937 2.694 3.170 . 0 0 "[ . 1]" 1
230 1 16 GLU QB 1 17 VAL MG1 4.900 . 4.900 4.415 4.284 4.563 . 0 0 "[ . 1]" 1
231 1 16 GLU QB 1 73 PHE QD 1.800 . 4.200 2.963 2.654 3.362 . 0 0 "[ . 1]" 1
232 1 16 GLU QG 1 17 VAL H 4.400 . 4.400 3.384 3.296 3.490 . 0 0 "[ . 1]" 1
233 1 16 GLU QG 1 17 VAL MG1 4.900 . 4.900 4.514 4.324 4.712 . 0 0 "[ . 1]" 1
234 1 16 GLU QG 1 73 PHE QD 4.400 . 4.400 3.862 3.517 4.272 . 0 0 "[ . 1]" 1
235 1 17 VAL H 1 17 VAL HB 4.400 . 4.400 2.601 2.497 2.787 . 0 0 "[ . 1]" 1
236 1 17 VAL H 1 17 VAL MG1 3.300 . 3.300 2.076 1.809 2.211 . 0 0 "[ . 1]" 1
237 1 17 VAL H 1 18 ASP H 4.400 . 4.400 4.530 4.515 4.539 0.139 10 0 "[ . 1]" 1
238 1 17 VAL HA 1 17 VAL MG1 3.300 . 3.300 3.185 3.177 3.195 . 0 0 "[ . 1]" 1
239 1 17 VAL HA 1 17 VAL QG 3.300 . 3.300 2.236 2.142 2.375 . 0 0 "[ . 1]" 1
240 1 17 VAL HA 1 18 ASP H 2.800 . 2.800 2.151 2.124 2.239 . 0 0 "[ . 1]" 1
241 1 17 VAL HA 1 21 VAL HB 4.400 . 4.400 3.450 3.154 3.788 . 0 0 "[ . 1]" 1
242 1 17 VAL HA 1 21 VAL MG1 . . 3.300 1.980 1.892 2.041 . 0 0 "[ . 1]" 1
243 1 17 VAL HA 1 21 VAL QG 4.900 . 4.900 1.973 1.886 2.034 . 0 0 "[ . 1]" 1
244 1 17 VAL QG 1 18 ASP H . . 4.000 1.963 1.884 2.115 . 0 0 "[ . 1]" 1
245 1 17 VAL QG 1 18 ASP HA 4.900 . 4.900 3.177 3.075 3.249 . 0 0 "[ . 1]" 1
246 1 17 VAL QG 1 21 VAL H 4.900 . 4.900 4.239 4.140 4.333 . 0 0 "[ . 1]" 1
247 1 17 VAL QG 1 21 VAL HB 4.900 . 4.900 3.818 3.651 4.086 . 0 0 "[ . 1]" 1
248 1 17 VAL QG 1 22 LEU H . . 4.000 3.341 3.259 3.445 . 0 0 "[ . 1]" 1
249 1 17 VAL QG 1 22 LEU HA 4.900 . 4.900 3.944 3.773 4.099 . 0 0 "[ . 1]" 1
250 1 17 VAL QG 1 22 LEU MD2 3.800 . 3.800 2.703 2.621 2.925 . 0 0 "[ . 1]" 1
251 1 17 VAL MG1 1 18 ASP H 4.900 . 4.900 3.706 3.524 3.868 . 0 0 "[ . 1]" 1
252 1 17 VAL MG1 1 18 ASP HA 4.900 . 4.900 3.768 3.561 3.948 . 0 0 "[ . 1]" 1
253 1 17 VAL MG1 1 21 VAL MG1 5.400 . 5.400 3.848 3.679 3.972 . 0 0 "[ . 1]" 1
254 1 17 VAL MG1 1 73 PHE QB 4.900 . 4.900 4.732 4.404 4.928 0.028 2 0 "[ . 1]" 1
255 1 17 VAL MG1 1 73 PHE QD 1.800 . 4.200 3.970 3.583 4.214 0.014 10 0 "[ . 1]" 1
256 1 17 VAL MG1 1 73 PHE QE 4.900 . 4.900 4.389 3.711 4.754 . 0 0 "[ . 1]" 1
257 1 18 ASP H 1 19 ASP H . . 4.400 4.340 4.313 4.358 . 0 0 "[ . 1]" 1
258 1 18 ASP H 1 20 LYS H . . 4.400 4.432 4.386 4.478 0.078 6 0 "[ . 1]" 1
259 1 18 ASP H 1 20 LYS QG 5.500 . 5.500 4.438 3.647 5.562 0.062 7 0 "[ . 1]" 1
260 1 18 ASP H 1 21 VAL H 3.500 . 3.500 3.170 3.012 3.295 . 0 0 "[ . 1]" 1
261 1 18 ASP H 1 21 VAL HA 5.500 . 5.500 5.079 4.874 5.261 . 0 0 "[ . 1]" 1
262 1 18 ASP H 1 21 VAL HB . . 3.500 3.044 2.670 3.430 . 0 0 "[ . 1]" 1
263 1 18 ASP H 1 21 VAL MG1 3.300 . 3.300 1.823 1.781 1.910 0.019 6 0 "[ . 1]" 1
264 1 18 ASP H 1 21 VAL QG 4.900 . 4.900 1.820 1.779 1.906 0.021 6 0 "[ . 1]" 1
265 1 18 ASP H 1 22 LEU H 4.400 . 4.400 3.310 3.211 3.369 . 0 0 "[ . 1]" 1
266 1 18 ASP H 1 22 LEU HA 5.500 . 5.500 5.395 5.308 5.483 . 0 0 "[ . 1]" 1
267 1 18 ASP H 1 22 LEU QB 5.500 . 5.500 4.595 4.420 4.765 . 0 0 "[ . 1]" 1
268 1 18 ASP H 1 22 LEU MD2 4.900 . 4.900 4.985 4.941 5.010 0.110 1 0 "[ . 1]" 1
269 1 18 ASP H 1 73 PHE QE 5.500 . 5.500 3.908 3.552 4.242 . 0 0 "[ . 1]" 1
270 1 18 ASP HA 1 18 ASP QB 2.800 . 2.800 2.443 2.186 2.547 . 0 0 "[ . 1]" 1
271 1 18 ASP HA 1 19 ASP H . . 3.500 2.602 2.521 2.676 . 0 0 "[ . 1]" 1
272 1 18 ASP HA 1 20 LYS H 5.500 . 5.500 4.288 4.208 4.374 . 0 0 "[ . 1]" 1
273 1 18 ASP HA 1 37 ILE MD 4.900 . 4.900 2.708 2.189 3.084 . 0 0 "[ . 1]" 1
274 1 18 ASP QB 1 19 ASP H . . 2.800 2.131 2.012 2.401 . 0 0 "[ . 1]" 1
275 1 18 ASP QB 1 19 ASP QB 4.400 . 4.400 4.071 3.530 4.337 . 0 0 "[ . 1]" 1
276 1 18 ASP QB 1 20 LYS H 4.400 . 4.400 2.384 2.197 2.813 . 0 0 "[ . 1]" 1
277 1 18 ASP QB 1 21 VAL H 5.500 . 5.500 3.275 2.954 3.946 . 0 0 "[ . 1]" 1
278 1 18 ASP QB 1 37 ILE MD 4.900 . 4.900 3.577 3.052 3.995 . 0 0 "[ . 1]" 1
279 1 19 ASP H 1 19 ASP QB . . 3.500 2.476 2.230 2.640 . 0 0 "[ . 1]" 1
280 1 19 ASP H 1 20 LYS H 3.500 . 3.500 2.563 2.516 2.672 . 0 0 "[ . 1]" 1
281 1 19 ASP H 1 20 LYS QB 4.400 . 4.400 4.456 4.307 4.538 0.138 7 0 "[ . 1]" 1
282 1 19 ASP H 1 20 LYS QG 5.500 . 5.500 4.272 3.679 5.414 . 0 0 "[ . 1]" 1
283 1 19 ASP H 1 21 VAL H 4.400 . 4.400 4.427 4.336 4.470 0.070 6 0 "[ . 1]" 1
284 1 19 ASP H 1 22 LEU H 5.500 . 5.500 4.802 4.666 4.896 . 0 0 "[ . 1]" 1
285 1 19 ASP H 1 35 ILE MD 6.000 . 6.000 4.609 4.486 4.904 . 0 0 "[ . 1]" 1
286 1 19 ASP H 1 35 ILE MG 4.900 . 4.900 3.897 3.580 4.350 . 0 0 "[ . 1]" 1
287 1 19 ASP H 1 37 ILE MD . . 4.000 2.355 2.048 2.578 . 0 0 "[ . 1]" 1
288 1 19 ASP H 1 37 ILE QG 4.400 . 4.400 4.157 3.777 4.424 0.024 2 0 "[ . 1]" 1
289 1 19 ASP HA 1 19 ASP QB 2.800 . 2.800 2.241 2.181 2.393 . 0 0 "[ . 1]" 1
290 1 19 ASP HA 1 20 LYS H 4.400 . 4.400 3.458 3.442 3.476 . 0 0 "[ . 1]" 1
291 1 19 ASP HA 1 22 LEU H 4.400 . 4.400 3.598 3.431 3.737 . 0 0 "[ . 1]" 1
292 1 19 ASP HA 1 22 LEU QB 4.400 . 4.400 2.387 2.172 2.586 . 0 0 "[ . 1]" 1
293 1 19 ASP HA 1 22 LEU MD1 4.900 . 4.900 2.415 1.933 2.687 . 0 0 "[ . 1]" 1
294 1 19 ASP HA 1 22 LEU MD2 4.900 . 4.900 4.657 4.373 4.837 . 0 0 "[ . 1]" 1
295 1 19 ASP HA 1 35 ILE MD 4.900 . 4.900 2.171 2.026 2.427 . 0 0 "[ . 1]" 1
296 1 19 ASP HA 1 35 ILE MG 4.900 . 4.900 2.067 1.912 2.362 . 0 0 "[ . 1]" 1
297 1 19 ASP HA 1 37 ILE MD 3.300 . 3.300 3.263 3.038 3.342 0.042 10 0 "[ . 1]" 1
298 1 19 ASP QB 1 20 LYS H 4.400 . 4.400 3.284 2.715 3.526 . 0 0 "[ . 1]" 1
299 1 19 ASP QB 1 20 LYS HA 4.400 . 4.400 4.263 4.081 4.377 . 0 0 "[ . 1]" 1
300 1 19 ASP QB 1 22 LEU H 5.500 . 5.500 5.120 4.959 5.276 . 0 0 "[ . 1]" 1
301 1 19 ASP QB 1 23 HIS H 5.500 . 5.500 4.727 4.479 5.140 . 0 0 "[ . 1]" 1
302 1 19 ASP QB 1 35 ILE HB 4.400 . 4.400 2.331 1.926 3.233 . 0 0 "[ . 1]" 1
303 1 19 ASP QB 1 35 ILE MD 4.900 . 4.900 2.784 2.256 3.769 . 0 0 "[ . 1]" 1
304 1 19 ASP QB 1 35 ILE MG 4.900 . 4.900 2.491 1.999 3.295 . 0 0 "[ . 1]" 1
305 1 19 ASP QB 1 37 ILE MD 4.900 . 4.900 2.373 2.144 2.638 . 0 0 "[ . 1]" 1
306 1 19 ASP QB 1 37 ILE QG 4.400 . 4.400 3.810 3.391 4.020 . 0 0 "[ . 1]" 1
307 1 20 LYS H 1 20 LYS QB . . 3.500 2.280 2.012 2.433 . 0 0 "[ . 1]" 1
308 1 20 LYS H 1 20 LYS QD 4.400 . 4.400 3.592 2.687 4.415 0.015 3 0 "[ . 1]" 1
309 1 20 LYS H 1 20 LYS QG 3.500 . 3.500 2.446 1.950 3.330 . 0 0 "[ . 1]" 1
310 1 20 LYS H 1 21 VAL H 3.500 . 3.500 2.693 2.649 2.723 . 0 0 "[ . 1]" 1
311 1 20 LYS H 1 21 VAL MG1 4.900 . 4.900 4.414 4.235 4.607 . 0 0 "[ . 1]" 1
312 1 20 LYS H 1 22 LEU H 4.400 . 4.400 4.023 3.919 4.107 . 0 0 "[ . 1]" 1
313 1 20 LYS H 1 23 HIS H 4.400 . 4.400 4.455 4.417 4.505 0.105 5 0 "[ . 1]" 1
314 1 20 LYS H 1 35 ILE MG 6.000 . 6.000 5.059 4.746 5.404 . 0 0 "[ . 1]" 1
315 1 20 LYS H 1 37 ILE MD 6.000 . 6.000 4.505 4.284 4.677 . 0 0 "[ . 1]" 1
316 1 20 LYS HA 1 20 LYS QB 2.800 . 2.800 2.221 2.150 2.355 . 0 0 "[ . 1]" 1
317 1 20 LYS HA 1 20 LYS QD 4.400 . 4.400 3.691 1.949 4.356 . 0 0 "[ . 1]" 1
318 1 20 LYS HA 1 21 VAL H 4.400 . 4.400 3.543 3.536 3.557 . 0 0 "[ . 1]" 1
319 1 20 LYS HA 1 23 HIS H 4.400 . 4.400 3.692 3.603 3.766 . 0 0 "[ . 1]" 1
320 1 20 LYS HA 1 23 HIS QB 4.400 . 4.400 2.627 2.561 2.683 . 0 0 "[ . 1]" 1
321 1 20 LYS QB 1 21 VAL H 4.400 . 4.400 2.932 2.256 3.298 . 0 0 "[ . 1]" 1
322 1 20 LYS QB 1 21 VAL MG1 4.900 . 4.900 4.835 4.400 5.058 0.158 2 0 "[ . 1]" 1
323 1 20 LYS QB 1 23 HIS H 5.500 . 5.500 4.954 4.773 5.072 . 0 0 "[ . 1]" 1
324 1 20 LYS QD 1 21 VAL H 4.400 . 4.400 3.995 3.446 4.485 0.085 1 0 "[ . 1]" 1
325 1 20 LYS QG 1 21 VAL H 4.400 . 4.400 2.464 1.803 3.816 . 0 0 "[ . 1]" 1
326 1 21 VAL H 1 21 VAL HB . . 3.500 2.335 2.286 2.452 . 0 0 "[ . 1]" 1
327 1 21 VAL H 1 21 VAL MG1 3.300 . 3.300 2.582 2.378 2.772 . 0 0 "[ . 1]" 1
328 1 21 VAL H 1 21 VAL QG . . 4.000 2.533 2.354 2.695 . 0 0 "[ . 1]" 1
329 1 21 VAL H 1 22 LEU H 3.500 . 3.500 2.523 2.492 2.557 . 0 0 "[ . 1]" 1
330 1 21 VAL H 1 22 LEU QB 4.400 . 4.400 4.391 4.315 4.428 0.028 7 0 "[ . 1]" 1
331 1 21 VAL H 1 23 HIS QB 4.400 . 4.400 4.495 4.450 4.530 0.130 7 0 "[ . 1]" 1
332 1 21 VAL H 1 37 ILE MD 6.000 . 6.000 5.890 5.601 6.049 0.049 2 0 "[ . 1]" 1
333 1 21 VAL HA 1 21 VAL MG1 3.300 . 3.300 3.158 3.138 3.184 . 0 0 "[ . 1]" 1
334 1 21 VAL HA 1 21 VAL QG 3.300 . 3.300 2.070 1.955 2.174 . 0 0 "[ . 1]" 1
335 1 21 VAL HA 1 22 LEU H 4.400 . 4.400 3.522 3.508 3.536 . 0 0 "[ . 1]" 1
336 1 21 VAL HA 1 24 ALA H 4.400 . 4.400 3.423 3.348 3.494 . 0 0 "[ . 1]" 1
337 1 21 VAL HA 1 24 ALA MB . . 3.300 2.888 2.795 3.049 . 0 0 "[ . 1]" 1
338 1 21 VAL HB 1 22 LEU H . . 3.500 3.561 3.505 3.638 0.138 6 0 "[ . 1]" 1
339 1 21 VAL HB 1 23 HIS H 5.500 . 5.500 5.439 5.360 5.493 . 0 0 "[ . 1]" 1
340 1 21 VAL QG 1 22 LEU H . . 4.000 1.852 1.782 1.955 0.018 6 0 "[ . 1]" 1
341 1 21 VAL QG 1 25 ALA H 4.900 . 4.900 3.559 3.459 3.656 . 0 0 "[ . 1]" 1
342 1 21 VAL QG 1 73 PHE QE 4.900 . 4.900 1.949 1.851 2.154 . 0 0 "[ . 1]" 1
343 1 21 VAL MG1 1 22 LEU H 4.900 . 4.900 1.855 1.785 1.960 0.015 6 0 "[ . 1]" 1
344 1 21 VAL MG1 1 73 PHE QE 3.300 . 3.300 2.097 1.908 2.409 . 0 0 "[ . 1]" 1
345 1 21 VAL MG2 1 73 PHE QD 1.800 . 4.200 4.085 3.757 4.361 0.161 4 0 "[ . 1]" 1
346 1 22 LEU H 1 22 LEU QB . . 3.500 2.326 2.289 2.356 . 0 0 "[ . 1]" 1
347 1 22 LEU H 1 22 LEU MD1 4.900 . 4.900 2.991 2.839 3.068 . 0 0 "[ . 1]" 1
348 1 22 LEU H 1 22 LEU MD2 4.900 . 4.900 4.037 3.935 4.092 . 0 0 "[ . 1]" 1
349 1 22 LEU H 1 22 LEU HG 3.500 . 3.500 2.671 2.531 2.767 . 0 0 "[ . 1]" 1
350 1 22 LEU H 1 23 HIS H 3.500 . 3.500 2.587 2.559 2.610 . 0 0 "[ . 1]" 1
351 1 22 LEU H 1 23 HIS QB 4.400 . 4.400 4.240 4.191 4.284 . 0 0 "[ . 1]" 1
352 1 22 LEU H 1 52 VAL QG 6.000 . 6.000 5.219 5.046 5.460 . 0 0 "[ . 1]" 1
353 1 22 LEU HA 1 22 LEU QB 2.800 . 2.800 2.429 2.413 2.445 . 0 0 "[ . 1]" 1
354 1 22 LEU HA 1 22 LEU MD2 3.300 . 3.300 2.769 2.657 2.851 . 0 0 "[ . 1]" 1
355 1 22 LEU HA 1 22 LEU HG 4.400 . 4.400 2.498 2.446 2.605 . 0 0 "[ . 1]" 1
356 1 22 LEU HA 1 25 ALA H 4.400 . 4.400 3.443 3.329 3.570 . 0 0 "[ . 1]" 1
357 1 22 LEU HA 1 26 PHE QD 4.400 . 4.400 2.134 1.957 2.255 . 0 0 "[ . 1]" 1
358 1 22 LEU HA 1 35 ILE MD 4.900 . 4.900 4.220 4.074 4.324 . 0 0 "[ . 1]" 1
359 1 22 LEU QB 1 23 HIS H . . 3.500 2.674 2.617 2.740 . 0 0 "[ . 1]" 1
360 1 22 LEU QB 1 25 ALA H 5.500 . 5.500 4.917 4.827 5.022 . 0 0 "[ . 1]" 1
361 1 22 LEU QB 1 26 PHE H 5.500 . 5.500 4.363 4.291 4.472 . 0 0 "[ . 1]" 1
362 1 22 LEU QB 1 35 ILE MD 4.900 . 4.900 2.090 1.935 2.270 . 0 0 "[ . 1]" 1
363 1 22 LEU MD1 1 23 HIS H 4.900 . 4.900 4.301 4.182 4.433 . 0 0 "[ . 1]" 1
364 1 22 LEU MD1 1 26 PHE QE 4.900 . 4.900 4.441 4.352 4.580 . 0 0 "[ . 1]" 1
365 1 22 LEU MD2 1 23 HIS H 4.900 . 4.900 4.910 4.871 4.945 0.045 8 0 "[ . 1]" 1
366 1 22 LEU MD2 1 26 PHE QD 4.900 . 4.900 3.173 3.098 3.321 . 0 0 "[ . 1]" 1
367 1 22 LEU MD2 1 26 PHE QE 4.900 . 4.900 2.164 2.026 2.353 . 0 0 "[ . 1]" 1
368 1 22 LEU MD2 1 50 ALA H 4.900 . 4.900 4.907 4.743 5.009 0.109 5 0 "[ . 1]" 1
369 1 22 LEU HG 1 26 PHE QD 1.800 . 4.200 4.277 4.239 4.324 0.124 7 0 "[ . 1]" 1
370 1 22 LEU HG 1 35 ILE MD 4.900 . 4.900 4.537 4.334 4.716 . 0 0 "[ . 1]" 1
371 1 23 HIS H 1 23 HIS QB . . 3.500 2.083 2.017 2.220 . 0 0 "[ . 1]" 1
372 1 23 HIS H 1 24 ALA H 3.500 . 3.500 2.770 2.728 2.798 . 0 0 "[ . 1]" 1
373 1 23 HIS H 1 27 ILE MD 6.000 . 6.000 6.012 5.997 6.027 0.027 8 0 "[ . 1]" 1
374 1 23 HIS H 1 32 ILE MD 6.000 . 6.000 4.040 3.780 4.158 . 0 0 "[ . 1]" 1
375 1 23 HIS H 1 32 ILE MG 4.900 . 4.900 4.934 4.905 4.969 0.069 5 0 "[ . 1]" 1
376 1 23 HIS H 1 35 ILE MD . . 4.000 2.839 2.744 2.955 . 0 0 "[ . 1]" 1
377 1 23 HIS HA 1 23 HIS HD1 1.800 . 4.200 2.773 2.053 3.369 . 0 0 "[ . 1]" 1
378 1 23 HIS HA 1 23 HIS HD2 4.400 . 4.400 2.920 2.055 3.708 . 0 0 "[ . 1]" 1
379 1 23 HIS HA 1 24 ALA H 3.500 . 3.500 3.542 3.539 3.544 0.044 2 0 "[ . 1]" 1
380 1 23 HIS HA 1 26 PHE H 4.400 . 4.400 3.948 3.839 4.041 . 0 0 "[ . 1]" 1
381 1 23 HIS HA 1 26 PHE QD 1.800 . 5.500 4.861 4.749 4.974 . 0 0 "[ . 1]" 1
382 1 23 HIS HA 1 32 ILE MD 4.900 . 4.900 1.971 1.797 2.075 0.003 9 0 "[ . 1]" 1
383 1 23 HIS HA 1 35 ILE MD 4.900 . 4.900 2.483 2.332 2.676 . 0 0 "[ . 1]" 1
384 1 23 HIS QB 1 24 ALA H . . 3.500 2.320 2.259 2.398 . 0 0 "[ . 1]" 1
385 1 23 HIS QB 1 25 ALA H 5.500 . 5.500 4.510 4.429 4.599 . 0 0 "[ . 1]" 1
386 1 23 HIS QB 1 26 PHE H 5.500 . 5.500 5.071 4.996 5.181 . 0 0 "[ . 1]" 1
387 1 23 HIS QB 1 35 ILE MD 4.900 . 4.900 2.826 2.075 3.162 . 0 0 "[ . 1]" 1
388 1 23 HIS HD1 1 32 ILE HB 1.800 . 4.200 2.578 1.868 3.720 . 0 0 "[ . 1]" 1
389 1 23 HIS HD1 1 32 ILE MD 1.800 . 4.200 2.921 2.097 3.570 . 0 0 "[ . 1]" 1
390 1 23 HIS HD1 1 32 ILE MG 1.800 . 4.200 3.102 1.943 4.060 . 0 0 "[ . 1]" 1
391 1 23 HIS HD1 1 35 ILE MD 1.800 . 4.200 2.667 1.981 3.925 . 0 0 "[ . 1]" 1
392 1 23 HIS HD1 1 35 ILE QG 1.800 . 5.500 3.794 2.969 5.302 . 0 0 "[ . 1]" 1
393 1 23 HIS HD2 1 32 ILE HB 4.400 . 4.400 2.673 1.868 4.203 . 0 0 "[ . 1]" 1
394 1 23 HIS HD2 1 32 ILE MD 4.900 . 4.900 3.081 2.099 4.472 . 0 0 "[ . 1]" 1
395 1 23 HIS HD2 1 35 ILE MD 4.900 . 4.900 3.363 2.161 4.826 . 0 0 "[ . 1]" 1
396 1 24 ALA H 1 24 ALA HA 2.800 . 2.800 2.825 2.822 2.829 0.029 4 0 "[ . 1]" 1
397 1 24 ALA H 1 24 ALA MB 3.300 . 3.300 2.126 2.046 2.228 . 0 0 "[ . 1]" 1
398 1 24 ALA H 1 35 ILE MD 4.900 . 4.900 4.769 4.605 4.917 0.017 5 0 "[ . 1]" 1
399 1 24 ALA HA 1 27 ILE H 4.400 . 4.400 3.542 3.452 3.602 . 0 0 "[ . 1]" 1
400 1 24 ALA HA 1 27 ILE MG 3.300 . 3.300 2.465 2.384 2.706 . 0 0 "[ . 1]" 1
401 1 24 ALA MB 1 25 ALA H 4.000 . 4.000 2.635 2.515 2.753 . 0 0 "[ . 1]" 1
402 1 25 ALA H 1 25 ALA MB 3.300 . 3.300 2.105 2.050 2.164 . 0 0 "[ . 1]" 1
403 1 25 ALA H 1 26 PHE QB 5.500 . 5.500 4.702 4.597 4.764 . 0 0 "[ . 1]" 1
404 1 25 ALA H 1 27 ILE H 4.400 . 4.400 3.873 3.746 3.937 . 0 0 "[ . 1]" 1
405 1 25 ALA H 1 32 ILE MD 6.000 . 6.000 4.383 4.275 4.468 . 0 0 "[ . 1]" 1
406 1 25 ALA HA 1 26 PHE H 4.400 . 4.400 3.520 3.498 3.535 . 0 0 "[ . 1]" 1
407 1 25 ALA HA 1 26 PHE QD 1.800 . 4.200 4.279 4.265 4.294 0.094 9 0 "[ . 1]" 1
408 1 25 ALA MB 1 26 PHE H 4.000 . 4.000 2.776 2.688 2.847 . 0 0 "[ . 1]" 1
409 1 25 ALA MB 1 26 PHE HA 4.900 . 4.900 3.811 3.743 3.850 . 0 0 "[ . 1]" 1
410 1 25 ALA MB 1 26 PHE QD . . 3.300 2.216 2.059 2.320 . 0 0 "[ . 1]" 1
411 1 25 ALA MB 1 26 PHE QE . . 4.200 2.777 2.596 2.917 . 0 0 "[ . 1]" 1
412 1 25 ALA MB 1 29 PHE QD 4.900 . 4.900 4.969 4.938 5.001 0.101 5 0 "[ . 1]" 1
413 1 26 PHE H 1 26 PHE QB . . 3.500 2.393 2.372 2.439 . 0 0 "[ . 1]" 1
414 1 26 PHE H 1 26 PHE QE 5.500 . 5.500 4.418 4.342 4.504 . 0 0 "[ . 1]" 1
415 1 26 PHE H 1 27 ILE H 3.500 . 3.500 2.345 2.291 2.425 . 0 0 "[ . 1]" 1
416 1 26 PHE H 1 27 ILE HA 5.500 . 5.500 4.810 4.755 4.875 . 0 0 "[ . 1]" 1
417 1 26 PHE H 1 27 ILE HB 4.400 . 4.400 4.320 4.259 4.423 0.023 3 0 "[ . 1]" 1
418 1 26 PHE H 1 27 ILE MD 6.000 . 6.000 5.264 5.138 5.358 . 0 0 "[ . 1]" 1
419 1 26 PHE H 1 28 PRO QD 4.400 . 4.400 3.330 3.260 3.404 . 0 0 "[ . 1]" 1
420 1 26 PHE H 1 32 ILE MD 4.900 . 4.900 2.733 2.660 2.801 . 0 0 "[ . 1]" 1
421 1 26 PHE H 1 32 ILE MG 6.000 . 6.000 5.796 5.742 5.853 . 0 0 "[ . 1]" 1
422 1 26 PHE H 1 35 ILE MD 4.900 . 4.900 4.934 4.908 4.954 0.054 1 0 "[ . 1]" 1
423 1 26 PHE H 1 52 VAL MG1 6.000 . 6.000 4.680 4.532 4.897 . 0 0 "[ . 1]" 1
424 1 26 PHE H 1 72 LEU MD2 6.000 . 6.000 5.861 5.556 6.081 0.081 3 0 "[ . 1]" 1
425 1 26 PHE HA 1 26 PHE HD2 1.800 . 4.200 3.659 3.626 3.729 . 0 0 "[ . 1]" 1
426 1 26 PHE HA 1 27 ILE H 4.400 . 4.400 3.372 3.353 3.394 . 0 0 "[ . 1]" 1
427 1 26 PHE HA 1 28 PRO QD 4.400 . 4.400 3.031 2.988 3.075 . 0 0 "[ . 1]" 1
428 1 26 PHE HA 1 29 PHE H 4.400 . 4.400 3.365 3.241 3.426 . 0 0 "[ . 1]" 1
429 1 26 PHE HA 1 29 PHE QD 2.800 . 2.800 2.080 1.948 2.286 . 0 0 "[ . 1]" 1
430 1 26 PHE HA 1 29 PHE QE . . 4.200 2.572 2.419 2.749 . 0 0 "[ . 1]" 1
431 1 26 PHE QB 1 27 ILE H 4.400 . 4.400 3.289 3.239 3.331 . 0 0 "[ . 1]" 1
432 1 26 PHE QB 1 29 PHE QD 4.400 . 4.400 2.987 2.908 3.118 . 0 0 "[ . 1]" 1
433 1 26 PHE QB 1 32 ILE MD 4.900 . 4.900 1.845 1.802 1.890 . 0 0 "[ . 1]" 1
434 1 26 PHE QB 1 52 VAL MG1 4.900 . 4.900 2.384 2.303 2.475 . 0 0 "[ . 1]" 1
435 1 26 PHE QD 1 27 ILE H 4.400 . 4.400 4.280 4.194 4.310 . 0 0 "[ . 1]" 1
436 1 26 PHE QD 1 32 ILE MD 1.800 . 4.200 3.635 3.490 3.729 . 0 0 "[ . 1]" 1
437 1 26 PHE QD 1 63 ALA HA 4.400 . 4.400 4.422 4.408 4.436 0.036 9 0 "[ . 1]" 1
438 1 26 PHE QD 1 63 ALA MB 4.900 . 4.900 2.336 2.215 2.410 . 0 0 "[ . 1]" 1
439 1 26 PHE HD2 1 29 PHE QE 1.800 . 4.200 4.227 4.189 4.254 0.054 10 0 "[ . 1]" 1
440 1 26 PHE HD2 1 52 VAL HB 1.800 . 4.200 3.712 3.580 3.932 . 0 0 "[ . 1]" 1
441 1 26 PHE HD2 1 54 PHE QE 1.800 . 4.200 3.114 2.732 3.360 . 0 0 "[ . 1]" 1
442 1 26 PHE HD2 1 63 ALA MB 1.800 . 3.300 2.338 2.216 2.412 . 0 0 "[ . 1]" 1
443 1 26 PHE QE 1 63 ALA MB 4.900 . 4.900 3.327 3.147 3.484 . 0 0 "[ . 1]" 1
444 1 26 PHE QE 1 67 MET QG 1.800 . 5.500 2.655 2.427 2.892 . 0 0 "[ . 1]" 1
445 1 26 PHE HE2 1 52 VAL HB 1.800 . 4.200 4.201 4.064 4.271 0.071 10 0 "[ . 1]" 1
446 1 26 PHE HE2 1 63 ALA MB 1.800 . 5.500 3.342 3.158 3.503 . 0 0 "[ . 1]" 1
447 1 26 PHE HE2 1 67 MET QB 1.800 . 5.500 3.130 2.987 3.237 . 0 0 "[ . 1]" 1
448 1 27 ILE H 1 27 ILE HB . . 3.500 2.349 2.301 2.378 . 0 0 "[ . 1]" 1
449 1 27 ILE H 1 27 ILE MD 4.900 . 4.900 3.771 3.648 3.830 . 0 0 "[ . 1]" 1
450 1 27 ILE H 1 27 ILE MG 3.300 . 3.300 2.651 2.616 2.765 . 0 0 "[ . 1]" 1
451 1 27 ILE H 1 28 PRO QD . . 3.500 2.008 1.984 2.036 . 0 0 "[ . 1]" 1
452 1 27 ILE H 1 28 PRO QG 4.400 . 4.400 3.940 3.918 3.971 . 0 0 "[ . 1]" 1
453 1 27 ILE H 1 29 PHE H 4.400 . 4.400 4.341 4.239 4.403 0.003 3 0 "[ . 1]" 1
454 1 27 ILE H 1 32 ILE MD . . 4.000 2.447 2.377 2.503 . 0 0 "[ . 1]" 1
455 1 27 ILE H 1 32 ILE QG 5.500 . 5.500 4.377 4.250 4.499 . 0 0 "[ . 1]" 1
456 1 27 ILE H 1 52 VAL MG1 6.000 . 6.000 5.492 5.366 5.637 . 0 0 "[ . 1]" 1
457 1 27 ILE HA 1 27 ILE MD 3.300 . 3.300 2.374 2.340 2.403 . 0 0 "[ . 1]" 1
458 1 27 ILE HA 1 27 ILE QG 2.800 . 2.800 2.325 2.305 2.368 . 0 0 "[ . 1]" 1
459 1 27 ILE HA 1 29 PHE H 4.400 . 4.400 4.370 4.292 4.398 . 0 0 "[ . 1]" 1
460 1 27 ILE HA 1 30 GLY H 4.400 . 4.400 3.138 3.111 3.179 . 0 0 "[ . 1]" 1
461 1 27 ILE HA 1 31 ASP H 4.400 . 4.400 4.197 4.114 4.256 . 0 0 "[ . 1]" 1
462 1 27 ILE HA 1 31 ASP QB 4.400 . 4.400 4.479 4.458 4.493 0.093 9 0 "[ . 1]" 1
463 1 27 ILE HA 1 32 ILE MD 4.900 . 4.900 2.103 1.888 2.492 . 0 0 "[ . 1]" 1
464 1 27 ILE HB 1 28 PRO QD 4.400 . 4.400 3.377 3.306 3.400 . 0 0 "[ . 1]" 1
465 1 27 ILE HB 1 32 ILE H 5.500 . 5.500 3.971 3.939 4.032 . 0 0 "[ . 1]" 1
466 1 27 ILE HB 1 32 ILE MD 4.900 . 4.900 2.693 2.600 2.824 . 0 0 "[ . 1]" 1
467 1 27 ILE MD 1 30 GLY H 4.900 . 4.900 4.978 4.969 4.989 0.089 3 0 "[ . 1]" 1
468 1 27 ILE MD 1 31 ASP H 4.900 . 4.900 4.196 4.154 4.248 . 0 0 "[ . 1]" 1
469 1 27 ILE MD 1 31 ASP HA 3.300 . 3.300 1.904 1.892 1.928 . 0 0 "[ . 1]" 1
470 1 27 ILE MD 1 31 ASP QB 4.900 . 4.900 2.245 2.193 2.385 . 0 0 "[ . 1]" 1
471 1 27 ILE MD 1 32 ILE H . . 4.000 1.876 1.845 1.909 . 0 0 "[ . 1]" 1
472 1 27 ILE MD 1 32 ILE HA 4.900 . 4.900 4.282 4.219 4.326 . 0 0 "[ . 1]" 1
473 1 27 ILE MD 1 32 ILE MD . . 3.800 2.068 1.955 2.286 . 0 0 "[ . 1]" 1
474 1 27 ILE MD 1 32 ILE QG 4.900 . 4.900 3.691 3.606 3.768 . 0 0 "[ . 1]" 1
475 1 27 ILE QG 1 27 ILE MG . . 3.300 1.995 1.978 2.007 . 0 0 "[ . 1]" 1
476 1 27 ILE QG 1 29 PHE H 5.500 . 5.500 5.510 5.484 5.522 0.022 8 0 "[ . 1]" 1
477 1 27 ILE QG 1 30 GLY H 5.500 . 5.500 4.369 4.270 4.435 . 0 0 "[ . 1]" 1
478 1 27 ILE QG 1 31 ASP H 5.500 . 5.500 3.878 3.782 4.016 . 0 0 "[ . 1]" 1
479 1 27 ILE MG 1 28 PRO HA 3.300 . 3.300 3.003 2.983 3.048 . 0 0 "[ . 1]" 1
480 1 27 ILE MG 1 28 PRO QB 4.900 . 4.900 3.465 3.420 3.505 . 0 0 "[ . 1]" 1
481 1 27 ILE MG 1 28 PRO QD 3.300 . 3.300 1.792 1.789 1.796 0.011 4 0 "[ . 1]" 1
482 1 27 ILE MG 1 29 PHE H 6.000 . 6.000 4.381 4.334 4.403 . 0 0 "[ . 1]" 1
483 1 27 ILE MG 1 30 GLY H 6.000 . 6.000 4.534 4.484 4.584 . 0 0 "[ . 1]" 1
484 1 27 ILE MG 1 32 ILE H 4.900 . 4.900 4.984 4.969 4.999 0.099 10 0 "[ . 1]" 1
485 1 28 PRO QB 1 29 PHE H 4.400 . 4.400 2.936 2.879 3.021 . 0 0 "[ . 1]" 1
486 1 28 PRO QD 1 29 PHE H 4.400 . 4.400 2.872 2.791 2.938 . 0 0 "[ . 1]" 1
487 1 28 PRO QG 1 29 PHE H 4.400 . 4.400 2.162 2.124 2.212 . 0 0 "[ . 1]" 1
488 1 28 PRO QG 1 29 PHE QD 1.800 . 4.200 3.189 2.820 3.381 . 0 0 "[ . 1]" 1
489 1 28 PRO QG 1 29 PHE QE 1.800 . 5.500 3.086 2.674 3.295 . 0 0 "[ . 1]" 1
490 1 28 PRO QG 1 30 GLY H 5.500 . 5.500 4.336 4.285 4.373 . 0 0 "[ . 1]" 1
491 1 29 PHE H 1 29 PHE QB 3.500 . 3.500 2.744 2.702 2.780 . 0 0 "[ . 1]" 1
492 1 29 PHE H 1 63 ALA MB 4.900 . 4.900 4.612 4.384 4.873 . 0 0 "[ . 1]" 1
493 1 29 PHE HA 1 29 PHE QD 1.800 . 4.200 2.472 2.345 2.533 . 0 0 "[ . 1]" 1
494 1 29 PHE HA 1 30 GLY H 4.400 . 4.400 3.452 3.439 3.465 . 0 0 "[ . 1]" 1
495 1 29 PHE QB 1 30 GLY H 4.400 . 4.400 2.995 2.918 3.067 . 0 0 "[ . 1]" 1
496 1 29 PHE QB 1 54 PHE QE 4.400 . 4.400 2.605 2.164 3.264 . 0 0 "[ . 1]" 1
497 1 29 PHE QB 1 62 ALA MB 4.900 . 4.900 2.319 1.910 2.546 . 0 0 "[ . 1]" 1
498 1 29 PHE QB 1 63 ALA H 4.400 . 4.400 2.875 2.601 3.201 . 0 0 "[ . 1]" 1
499 1 29 PHE QB 1 63 ALA MB 4.900 . 4.900 2.256 1.986 2.565 . 0 0 "[ . 1]" 1
500 1 29 PHE QD 1 52 VAL MG1 4.900 . 4.900 4.908 4.861 4.971 0.071 8 0 "[ . 1]" 1
501 1 29 PHE QD 1 54 PHE QE 1.800 . 4.200 3.728 3.451 4.060 . 0 0 "[ . 1]" 1
502 1 29 PHE QD 1 63 ALA HA 4.400 . 4.400 2.832 2.637 2.961 . 0 0 "[ . 1]" 1
503 1 29 PHE QD 1 63 ALA MB 3.300 . 3.300 2.132 1.987 2.341 . 0 0 "[ . 1]" 1
504 1 29 PHE QD 1 67 MET QB 4.400 . 4.400 4.208 3.912 4.426 0.026 2 0 "[ . 1]" 1
505 1 29 PHE QD 1 67 MET QG 1.800 . 5.500 4.640 2.742 5.323 . 0 0 "[ . 1]" 1
506 1 29 PHE QE 1 63 ALA MB 4.900 . 4.900 3.943 3.759 4.118 . 0 0 "[ . 1]" 1
507 1 29 PHE QE 1 66 ASN QB 1.800 . 5.500 3.406 2.869 4.016 . 0 0 "[ . 1]" 1
508 1 29 PHE QE 1 67 MET QG 4.400 . 4.400 3.605 2.129 4.305 . 0 0 "[ . 1]" 1
509 1 30 GLY H 1 31 ASP H 4.400 . 4.400 3.951 3.868 4.043 . 0 0 "[ . 1]" 1
510 1 30 GLY H 1 32 ILE MD 6.000 . 6.000 4.044 3.870 4.404 . 0 0 "[ . 1]" 1
511 1 30 GLY H 1 54 PHE QE 4.400 . 4.400 2.932 2.605 3.397 . 0 0 "[ . 1]" 1
512 1 30 GLY QA 1 31 ASP H . . 2.800 2.127 2.112 2.152 . 0 0 "[ . 1]" 1
513 1 30 GLY QA 1 59 ASP QB 4.400 . 4.400 1.870 1.794 1.944 0.006 4 0 "[ . 1]" 1
514 1 31 ASP H 1 31 ASP QB 2.800 . 2.800 2.686 2.637 2.711 . 0 0 "[ . 1]" 1
515 1 31 ASP H 1 32 ILE H 4.400 . 4.400 4.311 4.271 4.357 . 0 0 "[ . 1]" 1
516 1 31 ASP H 1 32 ILE HA 5.500 . 5.500 5.477 5.414 5.529 0.029 8 0 "[ . 1]" 1
517 1 31 ASP H 1 32 ILE QG 5.500 . 5.500 5.532 5.492 5.549 0.049 4 0 "[ . 1]" 1
518 1 31 ASP H 1 55 GLU QB 4.400 . 4.400 4.354 4.217 4.422 0.022 6 0 "[ . 1]" 1
519 1 31 ASP H 1 56 LEU MD1 4.900 . 4.900 4.394 4.253 4.831 . 0 0 "[ . 1]" 1
520 1 31 ASP H 1 59 ASP QB 5.500 . 5.500 4.012 3.870 4.318 . 0 0 "[ . 1]" 1
521 1 31 ASP HA 1 31 ASP QB 2.800 . 2.800 2.272 2.260 2.290 . 0 0 "[ . 1]" 1
522 1 31 ASP HA 1 32 ILE H 2.800 . 2.800 2.090 2.070 2.103 . 0 0 "[ . 1]" 1
523 1 31 ASP HA 1 32 ILE HB 4.400 . 4.400 4.444 4.427 4.462 0.062 8 0 "[ . 1]" 1
524 1 31 ASP QB 1 32 ILE H 3.500 . 3.500 3.481 3.416 3.514 0.014 7 0 "[ . 1]" 1
525 1 31 ASP QB 1 55 GLU H 4.400 . 4.400 3.773 3.681 3.887 . 0 0 "[ . 1]" 1
526 1 31 ASP QB 1 55 GLU QB 4.400 . 4.400 2.799 2.665 2.975 . 0 0 "[ . 1]" 1
527 1 31 ASP QB 1 55 GLU QG 4.400 . 4.400 4.317 4.171 4.415 0.015 5 0 "[ . 1]" 1
528 1 31 ASP QB 1 56 LEU MD1 4.900 . 4.900 4.810 4.633 4.903 0.003 5 0 "[ . 1]" 1
529 1 32 ILE H 1 32 ILE HB . . 3.500 2.471 2.437 2.520 . 0 0 "[ . 1]" 1
530 1 32 ILE H 1 32 ILE MD 4.900 . 4.900 2.098 1.954 2.402 . 0 0 "[ . 1]" 1
531 1 32 ILE H 1 32 ILE QG 4.400 . 4.400 2.579 2.465 2.662 . 0 0 "[ . 1]" 1
532 1 32 ILE H 1 33 THR H 5.500 . 5.500 4.617 4.609 4.629 . 0 0 "[ . 1]" 1
533 1 32 ILE HA 1 33 THR H 2.800 . 2.800 2.265 2.244 2.288 . 0 0 "[ . 1]" 1
534 1 32 ILE HA 1 34 ASP H 4.400 . 4.400 3.964 3.930 3.997 . 0 0 "[ . 1]" 1
535 1 32 ILE HA 1 53 GLU H 4.400 . 4.400 4.492 4.466 4.511 0.111 4 0 "[ . 1]" 1
536 1 32 ILE HA 1 54 PHE HA 4.400 . 4.400 1.982 1.936 2.061 . 0 0 "[ . 1]" 1
537 1 32 ILE HA 1 55 GLU H . . 3.500 3.531 3.495 3.569 0.069 10 0 "[ . 1]" 1
538 1 32 ILE HA 1 56 LEU H 5.500 . 5.500 5.584 5.551 5.611 0.111 10 0 "[ . 1]" 1
539 1 32 ILE HB 1 32 ILE MD . . 3.300 2.004 1.979 2.043 . 0 0 "[ . 1]" 1
540 1 32 ILE HB 1 33 THR H 4.400 . 4.400 3.844 3.798 3.895 . 0 0 "[ . 1]" 1
541 1 32 ILE HB 1 34 ASP H 5.500 . 5.500 4.716 4.627 4.755 . 0 0 "[ . 1]" 1
542 1 32 ILE MD 1 32 ILE MG 3.800 . 3.800 3.009 2.856 3.086 . 0 0 "[ . 1]" 1
543 1 32 ILE MD 1 33 THR H 6.000 . 6.000 4.936 4.892 4.974 . 0 0 "[ . 1]" 1
544 1 32 ILE MD 1 34 ASP H 6.000 . 6.000 5.789 5.701 5.847 . 0 0 "[ . 1]" 1
545 1 32 ILE MD 1 35 ILE MD 3.800 . 3.800 3.150 2.882 3.300 . 0 0 "[ . 1]" 1
546 1 32 ILE MD 1 54 PHE QE 4.900 . 4.900 3.658 2.989 4.097 . 0 0 "[ . 1]" 1
547 1 32 ILE QG 1 33 THR H 4.400 . 4.400 3.928 3.872 3.997 . 0 0 "[ . 1]" 1
548 1 32 ILE QG 1 34 ASP H 5.500 . 5.500 4.782 4.656 4.868 . 0 0 "[ . 1]" 1
549 1 32 ILE QG 1 52 VAL MG1 4.900 . 4.900 1.994 1.910 2.180 . 0 0 "[ . 1]" 1
550 1 32 ILE QG 1 54 PHE HA 4.400 . 4.400 3.641 3.541 3.731 . 0 0 "[ . 1]" 1
551 1 32 ILE QG 1 54 PHE QE 4.400 . 4.400 3.225 2.639 3.378 . 0 0 "[ . 1]" 1
552 1 32 ILE QG 1 55 GLU H 5.500 . 5.500 5.157 5.108 5.230 . 0 0 "[ . 1]" 1
553 1 32 ILE MG 1 33 THR H 4.000 . 4.000 2.057 1.956 2.114 . 0 0 "[ . 1]" 1
554 1 32 ILE MG 1 33 THR HA 4.900 . 4.900 3.524 3.437 3.617 . 0 0 "[ . 1]" 1
555 1 32 ILE MG 1 34 ASP H 3.300 . 3.300 2.156 2.060 2.203 . 0 0 "[ . 1]" 1
556 1 32 ILE MG 1 34 ASP HA 4.900 . 4.900 3.493 3.380 3.596 . 0 0 "[ . 1]" 1
557 1 32 ILE MG 1 35 ILE QG 3.300 . 3.300 1.881 1.837 1.937 . 0 0 "[ . 1]" 1
558 1 32 ILE MG 1 52 VAL MG1 3.800 . 3.800 2.256 2.059 2.448 . 0 0 "[ . 1]" 1
559 1 32 ILE MG 1 53 GLU H 4.900 . 4.900 2.307 2.269 2.355 . 0 0 "[ . 1]" 1
560 1 33 THR H 1 33 THR HB . . 3.500 3.047 2.968 3.131 . 0 0 "[ . 1]" 1
561 1 33 THR H 1 33 THR MG 4.000 . 4.000 3.837 3.811 3.867 . 0 0 "[ . 1]" 1
562 1 33 THR H 1 34 ASP H 2.800 . 2.800 1.915 1.849 1.945 . 0 0 "[ . 1]" 1
563 1 33 THR H 1 34 ASP QB 5.500 . 5.500 4.280 4.147 4.336 . 0 0 "[ . 1]" 1
564 1 33 THR H 1 35 ILE QG 4.400 . 4.400 4.416 4.367 4.452 0.052 6 0 "[ . 1]" 1
565 1 33 THR H 1 54 PHE H 4.400 . 4.400 4.197 4.106 4.252 . 0 0 "[ . 1]" 1
566 1 33 THR H 1 54 PHE HA 4.400 . 4.400 2.800 2.689 2.932 . 0 0 "[ . 1]" 1
567 1 33 THR H 1 55 GLU H 4.400 . 4.400 4.215 4.082 4.402 0.002 10 0 "[ . 1]" 1
568 1 33 THR HA 1 33 THR HB 2.800 . 2.800 2.909 2.896 2.923 0.123 7 0 "[ . 1]" 1
569 1 33 THR HA 1 33 THR MG 3.300 . 3.300 2.152 2.034 2.234 . 0 0 "[ . 1]" 1
570 1 33 THR HA 1 34 ASP H 4.400 . 4.400 3.490 3.470 3.502 . 0 0 "[ . 1]" 1
571 1 33 THR HA 1 34 ASP HA 4.400 . 4.400 4.477 4.469 4.483 0.083 2 0 "[ . 1]" 1
572 1 33 THR HB 1 34 ASP H . . 3.500 2.913 2.828 3.119 . 0 0 "[ . 1]" 1
573 1 33 THR HB 1 34 ASP HA 4.400 . 4.400 4.479 4.463 4.500 0.100 4 0 "[ . 1]" 1
574 1 33 THR HB 1 53 GLU H 5.500 . 5.500 5.544 5.518 5.565 0.065 8 0 "[ . 1]" 1
575 1 33 THR HB 1 53 GLU QG 4.400 . 4.400 2.194 1.885 4.103 . 0 0 "[ . 1]" 1
576 1 33 THR MG 1 34 ASP H 4.900 . 4.900 4.163 4.107 4.274 . 0 0 "[ . 1]" 1
577 1 33 THR MG 1 34 ASP QB 4.900 . 4.900 4.046 3.822 4.308 . 0 0 "[ . 1]" 1
578 1 33 THR MG 1 55 GLU HA 4.900 . 4.900 2.991 2.816 3.144 . 0 0 "[ . 1]" 1
579 1 33 THR MG 1 55 GLU QG 4.900 . 4.900 2.952 2.355 3.883 . 0 0 "[ . 1]" 1
580 1 34 ASP H 1 35 ILE H 4.400 . 4.400 4.312 4.288 4.332 . 0 0 "[ . 1]" 1
581 1 34 ASP H 1 35 ILE MD 4.900 . 4.900 4.904 4.812 4.933 0.033 2 0 "[ . 1]" 1
582 1 34 ASP H 1 52 VAL MG1 4.900 . 4.900 4.580 4.478 4.752 . 0 0 "[ . 1]" 1
583 1 34 ASP H 1 53 GLU H 3.500 . 3.500 3.039 2.844 3.133 . 0 0 "[ . 1]" 1
584 1 34 ASP H 1 53 GLU QB 3.500 . 3.500 1.995 1.820 2.067 . 0 0 "[ . 1]" 1
585 1 34 ASP H 1 53 GLU QG 4.400 . 4.400 2.731 2.528 3.719 . 0 0 "[ . 1]" 1
586 1 34 ASP HA 1 35 ILE H 2.800 . 2.800 2.259 2.232 2.282 . 0 0 "[ . 1]" 1
587 1 34 ASP HA 1 53 GLU QB 4.400 . 4.400 3.725 3.366 3.832 . 0 0 "[ . 1]" 1
588 1 34 ASP HA 1 53 GLU QG 4.400 . 4.400 4.454 4.433 4.503 0.103 10 0 "[ . 1]" 1
589 1 34 ASP QB 1 35 ILE H 4.400 . 4.400 3.166 2.905 3.517 . 0 0 "[ . 1]" 1
590 1 34 ASP QB 1 53 GLU H 4.400 . 4.400 4.116 3.787 4.241 . 0 0 "[ . 1]" 1
591 1 34 ASP QB 1 53 GLU QB 4.400 . 4.400 2.238 1.933 2.377 . 0 0 "[ . 1]" 1
592 1 34 ASP QB 1 53 GLU QG 4.400 . 4.400 2.388 1.945 2.553 . 0 0 "[ . 1]" 1
593 1 35 ILE H 1 35 ILE HB 4.400 . 4.400 2.929 2.900 2.951 . 0 0 "[ . 1]" 1
594 1 35 ILE H 1 35 ILE MD 4.900 . 4.900 4.283 4.155 4.375 . 0 0 "[ . 1]" 1
595 1 35 ILE H 1 35 ILE QG 4.400 . 4.400 2.902 2.845 2.957 . 0 0 "[ . 1]" 1
596 1 35 ILE H 1 36 GLN H 4.400 . 4.400 4.087 4.057 4.113 . 0 0 "[ . 1]" 1
597 1 35 ILE H 1 52 VAL HA 5.500 . 5.500 5.417 5.363 5.509 0.009 6 0 "[ . 1]" 1
598 1 35 ILE HA 1 35 ILE MG . . 3.300 2.304 2.226 2.408 . 0 0 "[ . 1]" 1
599 1 35 ILE HA 1 36 GLN H 2.800 . 2.800 2.143 2.136 2.150 . 0 0 "[ . 1]" 1
600 1 35 ILE HA 1 53 GLU H 4.400 . 4.400 3.425 3.303 3.547 . 0 0 "[ . 1]" 1
601 1 35 ILE MD 1 52 VAL HA 4.900 . 4.900 3.693 3.320 3.913 . 0 0 "[ . 1]" 1
602 1 35 ILE MD 1 52 VAL MG1 3.800 . 3.800 2.768 2.419 2.957 . 0 0 "[ . 1]" 1
603 1 35 ILE MD 1 53 GLU H 4.900 . 4.900 4.227 4.033 4.334 . 0 0 "[ . 1]" 1
604 1 35 ILE QG 1 52 VAL HA 4.400 . 4.400 2.390 2.158 2.526 . 0 0 "[ . 1]" 1
605 1 35 ILE MG 1 36 GLN H . . 4.000 2.748 2.549 2.881 . 0 0 "[ . 1]" 1
606 1 35 ILE MG 1 37 ILE QG 3.300 . 3.300 2.806 2.660 2.991 . 0 0 "[ . 1]" 1
607 1 35 ILE MG 1 50 ALA HA 4.900 . 4.900 4.694 4.478 4.851 . 0 0 "[ . 1]" 1
608 1 35 ILE MG 1 51 PHE H 4.900 . 4.900 3.183 2.902 3.413 . 0 0 "[ . 1]" 1
609 1 35 ILE MG 1 52 VAL H 4.900 . 4.900 4.515 4.294 4.907 0.007 10 0 "[ . 1]" 1
610 1 35 ILE MG 1 52 VAL HA 4.900 . 4.900 2.915 2.691 3.356 . 0 0 "[ . 1]" 1
611 1 35 ILE MG 1 52 VAL QG 3.800 . 3.800 2.740 2.597 2.986 . 0 0 "[ . 1]" 1
612 1 36 GLN H 1 36 GLN QB . . 3.500 2.438 2.346 2.545 . 0 0 "[ . 1]" 1
613 1 36 GLN H 1 36 GLN QG 4.400 . 4.400 3.670 2.930 4.113 . 0 0 "[ . 1]" 1
614 1 36 GLN H 1 37 ILE H 5.500 . 5.500 4.367 4.326 4.409 . 0 0 "[ . 1]" 1
615 1 36 GLN H 1 37 ILE QG . . 4.400 4.192 4.040 4.420 0.020 6 0 "[ . 1]" 1
616 1 36 GLN H 1 50 ALA MB 4.900 . 4.900 4.193 3.870 4.684 . 0 0 "[ . 1]" 1
617 1 36 GLN H 1 51 PHE H 3.500 . 3.500 3.045 2.762 3.353 . 0 0 "[ . 1]" 1
618 1 36 GLN H 1 51 PHE HA 5.500 . 5.500 4.752 4.630 4.902 . 0 0 "[ . 1]" 1
619 1 36 GLN H 1 51 PHE QB 4.400 . 4.400 2.703 2.500 2.815 . 0 0 "[ . 1]" 1
620 1 36 GLN H 1 51 PHE QD 5.500 . 5.500 4.634 4.214 4.906 . 0 0 "[ . 1]" 1
621 1 36 GLN H 1 52 VAL HA 4.400 . 4.400 4.366 4.251 4.443 0.043 10 0 "[ . 1]" 1
622 1 36 GLN H 1 52 VAL QG 4.900 . 4.900 4.821 4.711 4.879 . 0 0 "[ . 1]" 1
623 1 36 GLN HA 1 37 ILE H 3.500 . 3.500 2.131 2.115 2.143 . 0 0 "[ . 1]" 1
624 1 36 GLN QB 1 37 ILE H 4.400 . 4.400 3.385 3.073 3.691 . 0 0 "[ . 1]" 1
625 1 36 GLN QB 1 51 PHE H 4.400 . 4.400 4.020 3.487 4.432 0.032 2 0 "[ . 1]" 1
626 1 36 GLN QB 1 51 PHE QB 4.400 . 4.400 2.811 2.633 3.012 . 0 0 "[ . 1]" 1
627 1 36 GLN QB 1 51 PHE QD 1.800 . 4.200 3.850 3.462 4.185 . 0 0 "[ . 1]" 1
628 1 36 GLN QG 1 37 ILE H 4.400 . 4.400 3.519 2.654 4.392 . 0 0 "[ . 1]" 1
629 1 37 ILE H 1 37 ILE HB . . 3.500 2.683 2.629 2.744 . 0 0 "[ . 1]" 1
630 1 37 ILE H 1 37 ILE QG 4.400 . 4.400 2.799 2.554 3.153 . 0 0 "[ . 1]" 1
631 1 37 ILE H 1 38 PRO HA 5.500 . 5.500 4.901 4.779 5.052 . 0 0 "[ . 1]" 1
632 1 37 ILE H 1 38 PRO QD 4.400 . 4.400 4.017 3.945 4.156 . 0 0 "[ . 1]" 1
633 1 37 ILE H 1 50 ALA MB 6.000 . 6.000 4.468 4.056 4.900 . 0 0 "[ . 1]" 1
634 1 37 ILE HA 1 37 ILE MG . . 3.300 2.326 2.266 2.386 . 0 0 "[ . 1]" 1
635 1 37 ILE HA 1 38 PRO QD . . 2.800 1.984 1.941 2.019 . 0 0 "[ . 1]" 1
636 1 37 ILE HA 1 38 PRO QG 4.400 . 4.400 3.889 3.847 3.923 . 0 0 "[ . 1]" 1
637 1 37 ILE HA 1 50 ALA MB 4.900 . 4.900 2.884 2.239 3.442 . 0 0 "[ . 1]" 1
638 1 37 ILE HB 1 37 ILE MD 3.300 . 3.300 2.176 2.082 2.279 . 0 0 "[ . 1]" 1
639 1 37 ILE MD 1 50 ALA MB 3.800 . 3.800 3.232 3.032 3.366 . 0 0 "[ . 1]" 1
640 1 37 ILE QG 1 51 PHE H 4.400 . 4.400 3.494 3.212 4.039 . 0 0 "[ . 1]" 1
641 1 37 ILE MG 1 38 PRO QD 4.900 . 4.900 2.599 2.378 2.763 . 0 0 "[ . 1]" 1
642 1 37 ILE MG 1 46 HIS HA 4.900 . 4.900 4.232 3.817 4.927 0.027 1 0 "[ . 1]" 1
643 1 37 ILE MG 1 46 HIS QB . . 3.300 2.586 2.043 3.369 0.069 10 0 "[ . 1]" 1
644 1 37 ILE MG 1 46 HIS HD2 4.900 . 4.900 3.508 2.001 4.693 . 0 0 "[ . 1]" 1
645 1 37 ILE MG 1 49 PHE H 6.000 . 6.000 3.637 3.140 4.031 . 0 0 "[ . 1]" 1
646 1 38 PRO HA 1 39 LEU H 2.800 . 2.800 2.175 2.082 2.364 . 0 0 "[ . 1]" 1
647 1 38 PRO QB 1 39 LEU H 4.400 . 4.400 3.169 2.820 3.879 . 0 0 "[ . 1]" 1
648 1 38 PRO QD 1 39 LEU H 5.500 . 5.500 4.903 4.406 4.985 . 0 0 "[ . 1]" 1
649 1 38 PRO QD 1 50 ALA HA 4.400 . 4.400 2.615 2.264 3.073 . 0 0 "[ . 1]" 1
650 1 38 PRO QD 1 51 PHE H 4.400 . 4.400 3.918 3.617 4.163 . 0 0 "[ . 1]" 1
651 1 38 PRO QD 1 51 PHE QD 1.800 . 5.500 3.160 2.493 3.931 . 0 0 "[ . 1]" 1
652 1 38 PRO QG 1 39 LEU H 4.400 . 4.400 4.467 4.335 4.556 0.156 2 0 "[ . 1]" 1
653 1 39 LEU H 1 39 LEU QB . . 3.500 2.636 2.313 3.287 . 0 0 "[ . 1]" 1
654 1 39 LEU H 1 39 LEU MD1 4.900 . 4.900 2.892 2.297 3.597 . 0 0 "[ . 1]" 1
655 1 39 LEU H 1 39 LEU MD2 4.900 . 4.900 4.069 1.980 4.509 . 0 0 "[ . 1]" 1
656 1 39 LEU HA 1 39 LEU MD2 3.300 . 3.300 3.001 2.385 3.321 0.021 6 0 "[ . 1]" 1
657 1 39 LEU HA 1 39 LEU HG 4.400 . 4.400 2.745 2.511 4.265 . 0 0 "[ . 1]" 1
658 1 39 LEU HA 1 40 ASP H 2.800 . 2.800 2.640 2.404 2.804 0.004 8 0 "[ . 1]" 1
659 1 39 LEU HA 1 45 LYS H 4.400 . 4.400 4.351 3.953 4.470 0.070 2 0 "[ . 1]" 1
660 1 39 LEU HA 1 46 HIS H 4.400 . 4.400 3.727 2.814 4.363 . 0 0 "[ . 1]" 1
661 1 39 LEU HA 1 46 HIS HA 4.400 . 4.400 2.681 2.103 3.437 . 0 0 "[ . 1]" 1
662 1 39 LEU QB 1 40 ASP H . . 3.500 2.027 1.795 2.356 0.005 6 0 "[ . 1]" 1
663 1 39 LEU QB 1 44 GLU HA 4.400 . 4.400 2.171 1.901 2.442 . 0 0 "[ . 1]" 1
664 1 39 LEU QB 1 45 LYS H 4.400 . 4.400 3.291 2.452 3.885 . 0 0 "[ . 1]" 1
665 1 39 LEU MD1 1 40 ASP H 4.900 . 4.900 4.473 4.174 4.736 . 0 0 "[ . 1]" 1
666 1 39 LEU MD1 1 44 GLU HA 4.900 . 4.900 4.047 3.519 4.459 . 0 0 "[ . 1]" 1
667 1 39 LEU MD1 1 45 LYS H 6.000 . 6.000 5.490 5.114 5.828 . 0 0 "[ . 1]" 1
668 1 39 LEU MD1 1 46 HIS H 6.000 . 6.000 4.679 3.695 5.772 . 0 0 "[ . 1]" 1
669 1 39 LEU MD2 1 40 ASP H 4.900 . 4.900 3.353 2.955 3.751 . 0 0 "[ . 1]" 1
670 1 39 LEU MD2 1 44 GLU HA 4.900 . 4.900 2.912 1.971 3.573 . 0 0 "[ . 1]" 1
671 1 39 LEU MD2 1 45 LYS H 4.900 . 4.900 3.548 2.982 3.989 . 0 0 "[ . 1]" 1
672 1 39 LEU MD2 1 45 LYS HA 4.900 . 4.900 2.976 1.900 4.943 0.043 6 0 "[ . 1]" 1
673 1 39 LEU MD2 1 46 HIS H 4.900 . 4.900 2.604 1.875 4.875 . 0 0 "[ . 1]" 1
674 1 39 LEU MD2 1 46 HIS HA 4.900 . 4.900 3.709 2.986 4.924 0.024 6 0 "[ . 1]" 1
675 1 39 LEU MD2 1 46 HIS QB 4.900 . 4.900 3.183 2.012 4.683 . 0 0 "[ . 1]" 1
676 1 39 LEU MD2 1 46 HIS HD1 1.800 . 4.200 3.007 2.120 4.189 . 0 0 "[ . 1]" 1
677 1 39 LEU HG 1 40 ASP H 4.400 . 4.400 4.353 3.959 4.459 0.059 8 0 "[ . 1]" 1
678 1 40 ASP H 1 40 ASP QB 3.500 . 3.500 2.253 2.076 2.547 . 0 0 "[ . 1]" 1
679 1 40 ASP H 1 44 GLU HA 5.500 . 5.500 2.377 2.124 2.684 . 0 0 "[ . 1]" 1
680 1 40 ASP H 1 44 GLU QB 4.400 . 4.400 4.274 3.945 4.436 0.036 5 0 "[ . 1]" 1
681 1 40 ASP H 1 45 LYS H 4.400 . 4.400 2.495 1.985 2.971 . 0 0 "[ . 1]" 1
682 1 40 ASP H 1 46 HIS HA 4.400 . 4.400 4.257 3.929 4.408 0.008 2 0 "[ . 1]" 1
683 1 40 ASP HA 1 41 TYR H 3.500 . 3.500 2.814 2.241 3.414 . 0 0 "[ . 1]" 1
684 1 40 ASP HA 1 42 GLU H 4.400 . 4.400 4.204 3.919 4.413 0.013 1 0 "[ . 1]" 1
685 1 40 ASP QB 1 41 TYR H 5.500 . 5.500 2.751 2.108 3.234 . 0 0 "[ . 1]" 1
686 1 40 ASP QB 1 41 TYR QD 4.400 . 4.400 4.237 3.816 4.430 0.030 8 0 "[ . 1]" 1
687 1 40 ASP QB 1 43 THR H 4.400 . 4.400 2.170 1.982 2.351 . 0 0 "[ . 1]" 1
688 1 40 ASP QB 1 44 GLU H 4.400 . 4.400 2.267 1.920 3.215 . 0 0 "[ . 1]" 1
689 1 40 ASP QB 1 45 LYS H 4.400 . 4.400 2.277 1.987 2.850 . 0 0 "[ . 1]" 1
690 1 41 TYR H 1 41 TYR QB . . 3.500 2.993 2.727 3.503 0.003 10 0 "[ . 1]" 1
691 1 41 TYR H 1 41 TYR QD 5.500 . 5.500 3.158 2.117 4.547 . 0 0 "[ . 1]" 1
692 1 41 TYR H 1 42 GLU QB 5.500 . 5.500 4.546 3.893 5.554 0.054 7 0 "[ . 1]" 1
693 1 41 TYR HA 1 41 TYR QB 2.800 . 2.800 2.182 2.149 2.251 . 0 0 "[ . 1]" 1
694 1 41 TYR HA 1 41 TYR QD 4.400 . 4.400 3.504 2.714 3.739 . 0 0 "[ . 1]" 1
695 1 41 TYR HA 1 44 GLU H 5.500 2.900 5.500 4.055 3.640 4.655 . 0 0 "[ . 1]" 1
696 1 41 TYR QB 1 42 GLU H 4.400 . 4.400 3.369 2.077 4.003 . 0 0 "[ . 1]" 1
697 1 41 TYR QD 1 42 GLU QB 1.800 . 4.200 3.338 2.320 4.230 0.030 10 0 "[ . 1]" 1
698 1 42 GLU H 1 42 GLU QB . . 3.500 2.420 2.090 3.243 . 0 0 "[ . 1]" 1
699 1 42 GLU H 1 43 THR H 3.500 . 3.500 2.214 1.872 2.653 . 0 0 "[ . 1]" 1
700 1 42 GLU H 1 43 THR MG 4.900 . 4.900 4.372 3.862 4.951 0.051 5 0 "[ . 1]" 1
701 1 42 GLU H 1 44 GLU H 3.500 . 3.500 3.163 2.303 3.524 0.024 10 0 "[ . 1]" 1
702 1 42 GLU HA 1 43 THR H 3.500 . 3.500 3.507 3.453 3.540 0.040 10 0 "[ . 1]" 1
703 1 42 GLU QB 1 43 THR H . . 3.500 2.846 2.327 3.378 . 0 0 "[ . 1]" 1
704 1 42 GLU QB 1 43 THR MG 4.900 . 4.900 3.277 2.612 4.925 0.025 5 0 "[ . 1]" 1
705 1 43 THR H 1 43 THR MG 4.000 . 4.000 2.859 2.089 3.650 . 0 0 "[ . 1]" 1
706 1 43 THR H 1 44 GLU H . . 2.800 2.038 1.922 2.186 . 0 0 "[ . 1]" 1
707 1 43 THR H 1 44 GLU HA 4.400 . 4.400 4.256 4.162 4.430 0.030 10 0 "[ . 1]" 1
708 1 43 THR HA 1 43 THR MG 3.300 . 3.300 2.445 2.074 3.225 . 0 0 "[ . 1]" 1
709 1 43 THR HA 1 44 GLU H . . 3.500 3.421 3.240 3.499 . 0 0 "[ . 1]" 1
710 1 43 THR HB 1 44 GLU H 4.400 . 4.400 3.892 2.984 4.375 . 0 0 "[ . 1]" 1
711 1 43 THR HB 1 45 LYS H 4.400 . 4.400 3.752 2.902 4.517 0.117 8 0 "[ . 1]" 1
712 1 43 THR HB 1 45 LYS QG 4.400 . 4.400 2.806 1.929 4.415 0.015 5 0 "[ . 1]" 1
713 1 43 THR MG 1 44 GLU H 4.900 . 4.900 3.912 3.114 4.420 . 0 0 "[ . 1]" 1
714 1 43 THR MG 1 45 LYS H 4.900 . 4.900 4.151 1.841 4.945 0.045 10 0 "[ . 1]" 1
715 1 44 GLU H 1 44 GLU HA 2.800 . 2.800 2.279 2.252 2.302 . 0 0 "[ . 1]" 1
716 1 44 GLU H 1 44 GLU QB . . 3.500 3.036 2.750 3.419 . 0 0 "[ . 1]" 1
717 1 44 GLU H 1 44 GLU QG . . 3.500 3.129 2.467 3.508 0.008 7 0 "[ . 1]" 1
718 1 44 GLU H 1 45 LYS H 3.500 . 3.500 2.908 2.686 3.199 . 0 0 "[ . 1]" 1
719 1 44 GLU HA 1 44 GLU QB 2.800 . 2.800 2.281 2.166 2.542 . 0 0 "[ . 1]" 1
720 1 44 GLU HA 1 45 LYS H . . 3.500 2.749 2.516 2.945 . 0 0 "[ . 1]" 1
721 1 44 GLU QB 1 45 LYS H 4.400 . 4.400 3.956 3.794 4.057 . 0 0 "[ . 1]" 1
722 1 44 GLU QG 1 45 LYS H 4.400 . 4.400 4.163 3.677 4.459 0.059 7 0 "[ . 1]" 1
723 1 45 LYS H 1 45 LYS QB . . 3.500 2.714 2.464 3.193 . 0 0 "[ . 1]" 1
724 1 45 LYS H 1 45 LYS QG 3.500 . 3.500 2.735 2.055 3.198 . 0 0 "[ . 1]" 1
725 1 45 LYS HA 1 46 HIS H 3.500 . 3.500 2.372 2.127 3.300 . 0 0 "[ . 1]" 1
726 1 45 LYS QB 1 46 HIS H . . 3.500 3.384 3.236 3.509 0.009 6 0 "[ . 1]" 1
727 1 45 LYS QG 1 46 HIS H 4.400 . 4.400 4.254 4.069 4.380 . 0 0 "[ . 1]" 1
728 1 46 HIS H 1 46 HIS QB . . 3.500 2.662 2.110 3.328 . 0 0 "[ . 1]" 1
729 1 46 HIS H 1 46 HIS HD1 1.800 . 4.200 3.137 1.985 4.187 . 0 0 "[ . 1]" 1
730 1 46 HIS H 1 46 HIS HD2 4.400 . 4.400 3.660 1.987 4.422 0.022 9 0 "[ . 1]" 1
731 1 46 HIS H 1 47 ARG H 5.500 . 5.500 4.473 4.208 4.597 . 0 0 "[ . 1]" 1
732 1 46 HIS HA 1 47 ARG H . . 3.500 2.553 2.222 2.728 . 0 0 "[ . 1]" 1
733 1 46 HIS HA 1 49 PHE H 5.500 . 5.500 5.529 5.506 5.547 0.047 3 0 "[ . 1]" 1
734 1 46 HIS QB 1 47 ARG H . . 3.500 2.225 1.941 2.923 . 0 0 "[ . 1]" 1
735 1 46 HIS QB 1 48 GLY H 5.500 . 5.500 3.618 2.882 4.633 . 0 0 "[ . 1]" 1
736 1 46 HIS QB 1 49 PHE H 5.500 . 5.500 3.765 3.315 5.046 . 0 0 "[ . 1]" 1
737 1 47 ARG H 1 47 ARG QD 5.500 . 5.500 4.381 3.228 4.951 . 0 0 "[ . 1]" 1
738 1 47 ARG H 1 48 GLY H 4.400 . 4.400 2.322 1.987 2.725 . 0 0 "[ . 1]" 1
739 1 47 ARG H 1 49 PHE H 4.400 . 4.400 3.451 3.275 3.744 . 0 0 "[ . 1]" 1
740 1 47 ARG QB 1 49 PHE H . . 4.400 3.921 3.543 4.353 . 0 0 "[ . 1]" 1
741 1 47 ARG QB 1 49 PHE QE 4.400 . 4.400 3.032 2.295 3.390 . 0 0 "[ . 1]" 1
742 1 47 ARG QD 1 49 PHE QE 4.400 . 4.400 3.124 2.061 4.178 . 0 0 "[ . 1]" 1
743 1 48 GLY H 1 49 PHE H . . 3.500 2.041 1.937 2.124 . 0 0 "[ . 1]" 1
744 1 48 GLY H 1 49 PHE QE . . 4.200 4.231 4.209 4.248 0.048 8 0 "[ . 1]" 1
745 1 48 GLY QA 1 49 PHE H 4.400 . 4.400 2.710 2.634 2.779 . 0 0 "[ . 1]" 1
746 1 48 GLY QA 1 49 PHE QD 1.800 . 5.500 3.954 3.906 4.040 . 0 0 "[ . 1]" 1
747 1 48 GLY QA 1 49 PHE QE 4.400 . 4.400 4.060 3.948 4.134 . 0 0 "[ . 1]" 1
748 1 49 PHE H 1 49 PHE QD . . 4.200 3.573 3.535 3.612 . 0 0 "[ . 1]" 1
749 1 49 PHE H 1 50 ALA MB 6.000 . 6.000 4.363 4.181 4.490 . 0 0 "[ . 1]" 1
750 1 49 PHE HA 1 49 PHE QD 4.400 . 4.400 2.285 2.207 2.466 . 0 0 "[ . 1]" 1
751 1 49 PHE HA 1 50 ALA H 2.800 . 2.800 2.282 2.267 2.303 . 0 0 "[ . 1]" 1
752 1 49 PHE QB 1 50 ALA H . . 3.500 2.739 2.700 2.764 . 0 0 "[ . 1]" 1
753 1 49 PHE QD 1 50 ALA H . . 4.200 4.030 3.975 4.083 . 0 0 "[ . 1]" 1
754 1 49 PHE QD 1 50 ALA MB 1.800 . 5.500 5.419 5.393 5.457 . 0 0 "[ . 1]" 1
755 1 50 ALA HA 1 51 PHE H 2.800 . 2.800 2.496 2.444 2.546 . 0 0 "[ . 1]" 1
756 1 50 ALA HA 1 51 PHE QD 1.800 . 5.500 3.720 2.600 4.811 . 0 0 "[ . 1]" 1
757 1 50 ALA MB 1 51 PHE H 4.000 . 4.000 2.215 2.094 2.348 . 0 0 "[ . 1]" 1
758 1 50 ALA MB 1 52 VAL QG 3.800 . 3.800 3.410 3.198 3.634 . 0 0 "[ . 1]" 1
759 1 51 PHE H 1 51 PHE QB . . 3.500 2.424 2.337 2.595 . 0 0 "[ . 1]" 1
760 1 51 PHE H 1 51 PHE QD . . 4.200 3.345 2.342 4.066 . 0 0 "[ . 1]" 1
761 1 51 PHE H 1 52 VAL QG 6.000 . 6.000 4.113 3.998 4.249 . 0 0 "[ . 1]" 1
762 1 51 PHE HA 1 51 PHE QD . . 4.200 2.908 2.629 3.191 . 0 0 "[ . 1]" 1
763 1 51 PHE HA 1 52 VAL H 2.800 . 2.800 2.186 2.164 2.258 . 0 0 "[ . 1]" 1
764 1 51 PHE HA 1 52 VAL QG 4.900 . 4.900 3.429 3.191 3.611 . 0 0 "[ . 1]" 1
765 1 51 PHE QB 1 52 VAL H 4.400 . 4.400 3.256 3.023 3.478 . 0 0 "[ . 1]" 1
766 1 51 PHE QD 1 52 VAL H 4.400 . 4.400 3.582 2.762 4.398 . 0 0 "[ . 1]" 1
767 1 51 PHE QD 1 82 ALA MB 1.800 . 4.200 3.647 2.965 4.108 . 0 0 "[ . 1]" 1
768 1 51 PHE QE 1 82 ALA MB 1.800 . 4.200 2.379 1.940 3.418 . 0 0 "[ . 1]" 1
769 1 52 VAL H 1 52 VAL HB . . 3.500 2.726 2.664 2.817 . 0 0 "[ . 1]" 1
770 1 52 VAL H 1 52 VAL QG . . 4.000 2.466 2.203 2.720 . 0 0 "[ . 1]" 1
771 1 52 VAL HA 1 52 VAL MG1 3.300 . 3.300 2.310 2.129 2.388 . 0 0 "[ . 1]" 1
772 1 52 VAL HA 1 53 GLU H 2.800 . 2.800 2.173 2.145 2.191 . 0 0 "[ . 1]" 1
773 1 52 VAL HB 1 53 GLU H 4.400 . 4.400 4.095 3.989 4.189 . 0 0 "[ . 1]" 1
774 1 52 VAL QG 1 53 GLU H 4.900 . 4.900 2.555 2.372 2.699 . 0 0 "[ . 1]" 1
775 1 52 VAL MG1 1 53 GLU H . . 4.000 2.579 2.386 2.734 . 0 0 "[ . 1]" 1
776 1 53 GLU H 1 53 GLU QB . . 3.500 2.346 2.230 2.377 . 0 0 "[ . 1]" 1
777 1 53 GLU H 1 53 GLU QG 4.400 . 4.400 3.867 3.657 3.919 . 0 0 "[ . 1]" 1
778 1 53 GLU HA 1 54 PHE H 2.800 . 2.800 2.200 2.177 2.245 . 0 0 "[ . 1]" 1
779 1 53 GLU QG 1 54 PHE H . . 3.500 2.504 2.332 3.516 0.016 10 0 "[ . 1]" 1
780 1 54 PHE H 1 54 PHE QB . . 3.500 2.433 2.346 2.550 . 0 0 "[ . 1]" 1
781 1 54 PHE H 1 54 PHE QD 3.500 . 3.500 2.498 2.212 2.999 . 0 0 "[ . 1]" 1
782 1 54 PHE H 1 55 GLU H 4.400 . 4.400 4.478 4.448 4.492 0.092 3 0 "[ . 1]" 1
783 1 54 PHE H 1 60 ALA MB 4.900 . 4.900 3.833 3.428 4.247 . 0 0 "[ . 1]" 1
784 1 54 PHE HA 1 54 PHE QD 4.400 . 4.400 3.042 2.814 3.143 . 0 0 "[ . 1]" 1
785 1 54 PHE HA 1 55 GLU H 2.800 . 2.800 2.300 2.265 2.338 . 0 0 "[ . 1]" 1
786 1 54 PHE QB 1 55 GLU H . . 3.500 2.518 2.443 2.611 . 0 0 "[ . 1]" 1
787 1 54 PHE QB 1 56 LEU H . . 3.500 2.411 2.289 2.510 . 0 0 "[ . 1]" 1
788 1 54 PHE QB 1 60 ALA H 4.400 . 4.400 3.170 2.891 3.320 . 0 0 "[ . 1]" 1
789 1 54 PHE QB 1 60 ALA MB 4.900 . 4.900 2.548 2.332 2.828 . 0 0 "[ . 1]" 1
790 1 54 PHE QB 1 61 ALA H 5.500 . 5.500 5.393 5.172 5.530 0.030 4 0 "[ . 1]" 1
791 1 54 PHE QD 1 55 GLU H 4.400 . 4.400 3.775 3.574 3.977 . 0 0 "[ . 1]" 1
792 1 54 PHE QD 1 56 LEU H 4.400 . 4.400 4.083 3.810 4.267 . 0 0 "[ . 1]" 1
793 1 54 PHE QD 1 59 ASP QB 4.400 . 4.400 2.419 1.960 4.006 . 0 0 "[ . 1]" 1
794 1 54 PHE QD 1 60 ALA H 4.400 . 4.400 4.032 3.688 4.248 . 0 0 "[ . 1]" 1
795 1 54 PHE QD 1 60 ALA MB 4.900 . 4.900 2.783 2.265 3.096 . 0 0 "[ . 1]" 1
796 1 55 GLU H 1 55 GLU QB . . 3.500 2.221 2.130 2.288 . 0 0 "[ . 1]" 1
797 1 55 GLU H 1 55 GLU QG 4.400 . 4.400 3.946 3.820 4.043 . 0 0 "[ . 1]" 1
798 1 55 GLU H 1 56 LEU H 3.500 . 3.500 2.331 2.284 2.385 . 0 0 "[ . 1]" 1
799 1 55 GLU H 1 56 LEU QB 4.400 . 4.400 4.466 4.451 4.514 0.114 10 0 "[ . 1]" 1
800 1 55 GLU H 1 56 LEU HG 4.400 . 4.400 4.430 4.412 4.457 0.057 1 0 "[ . 1]" 1
801 1 55 GLU HA 1 55 GLU QG 2.800 . 2.800 2.322 2.067 2.686 . 0 0 "[ . 1]" 1
802 1 55 GLU HA 1 56 LEU H 4.400 . 4.400 3.461 3.447 3.478 . 0 0 "[ . 1]" 1
803 1 55 GLU HA 1 56 LEU MD2 4.900 . 4.900 4.836 4.769 4.906 0.006 6 0 "[ . 1]" 1
804 1 55 GLU QB 1 56 LEU H . . 3.500 2.767 2.696 2.865 . 0 0 "[ . 1]" 1
805 1 55 GLU QB 1 56 LEU MD1 4.900 . 4.900 3.844 3.706 3.989 . 0 0 "[ . 1]" 1
806 1 55 GLU QG 1 56 LEU H 4.400 . 4.400 4.194 3.964 4.393 . 0 0 "[ . 1]" 1
807 1 55 GLU QG 1 56 LEU HG 4.400 . 4.400 3.743 3.210 4.367 . 0 0 "[ . 1]" 1
808 1 56 LEU H 1 56 LEU QB . . 3.500 2.481 2.455 2.538 . 0 0 "[ . 1]" 1
809 1 56 LEU H 1 56 LEU MD1 4.000 . 4.000 3.907 3.854 3.942 . 0 0 "[ . 1]" 1
810 1 56 LEU H 1 56 LEU MD2 4.900 . 4.900 3.823 3.736 3.895 . 0 0 "[ . 1]" 1
811 1 56 LEU H 1 56 LEU HG . . 3.500 2.891 2.852 2.953 . 0 0 "[ . 1]" 1
812 1 56 LEU H 1 57 ALA H 4.400 . 4.400 4.357 4.289 4.449 0.049 7 0 "[ . 1]" 1
813 1 56 LEU H 1 59 ASP H 4.400 . 4.400 4.376 4.144 4.422 0.022 6 0 "[ . 1]" 1
814 1 56 LEU H 1 59 ASP QB 4.400 . 4.400 2.986 2.499 3.805 . 0 0 "[ . 1]" 1
815 1 56 LEU H 1 60 ALA H 5.500 . 5.500 4.793 4.682 4.918 . 0 0 "[ . 1]" 1
816 1 56 LEU HA 1 56 LEU MD2 3.300 . 3.300 2.146 1.985 2.277 . 0 0 "[ . 1]" 1
817 1 56 LEU HA 1 57 ALA H . . 3.500 2.163 2.146 2.199 . 0 0 "[ . 1]" 1
818 1 56 LEU HA 1 57 ALA MB 4.900 . 4.900 3.978 3.917 4.033 . 0 0 "[ . 1]" 1
819 1 56 LEU QB 1 57 ALA H 4.400 . 4.400 3.213 2.911 3.389 . 0 0 "[ . 1]" 1
820 1 56 LEU QB 1 58 GLU H 4.400 . 4.400 2.986 2.769 3.154 . 0 0 "[ . 1]" 1
821 1 56 LEU QB 1 59 ASP H . . 3.500 2.444 2.383 2.520 . 0 0 "[ . 1]" 1
822 1 56 LEU QB 1 60 ALA H 4.400 . 4.400 4.162 4.047 4.328 . 0 0 "[ . 1]" 1
823 1 56 LEU MD1 1 59 ASP H 4.900 . 4.900 3.951 3.840 4.043 . 0 0 "[ . 1]" 1
824 1 56 LEU MD2 1 57 ALA H 4.900 . 4.900 3.610 3.440 3.705 . 0 0 "[ . 1]" 1
825 1 56 LEU MD2 1 58 GLU H 6.000 . 6.000 4.332 4.145 4.516 . 0 0 "[ . 1]" 1
826 1 56 LEU MD2 1 58 GLU QB 4.900 . 4.900 4.517 4.265 4.709 . 0 0 "[ . 1]" 1
827 1 57 ALA H 1 57 ALA MB 3.300 . 3.300 2.135 2.017 2.236 . 0 0 "[ . 1]" 1
828 1 57 ALA H 1 58 GLU H 4.400 . 4.400 2.747 2.626 2.880 . 0 0 "[ . 1]" 1
829 1 57 ALA H 1 59 ASP H 5.500 . 5.500 4.101 3.956 4.207 . 0 0 "[ . 1]" 1
830 1 57 ALA HA 1 58 GLU H 4.400 . 4.400 3.530 3.489 3.549 . 0 0 "[ . 1]" 1
831 1 57 ALA HA 1 59 ASP H 4.400 . 4.400 4.202 4.123 4.304 . 0 0 "[ . 1]" 1
832 1 57 ALA HA 1 60 ALA H 4.400 . 4.400 3.571 3.463 3.635 . 0 0 "[ . 1]" 1
833 1 57 ALA HA 1 60 ALA MB 4.900 . 4.900 3.022 2.820 3.266 . 0 0 "[ . 1]" 1
834 1 57 ALA MB 1 58 GLU H . . 4.000 2.666 2.530 2.803 . 0 0 "[ . 1]" 1
835 1 58 GLU H 1 58 GLU QB . . 3.500 2.301 2.062 2.595 . 0 0 "[ . 1]" 1
836 1 58 GLU H 1 58 GLU QG 4.400 . 4.400 3.202 1.938 4.034 . 0 0 "[ . 1]" 1
837 1 58 GLU H 1 59 ASP H . . 3.500 2.557 2.491 2.615 . 0 0 "[ . 1]" 1
838 1 58 GLU H 1 60 ALA H 5.500 . 5.500 4.223 4.109 4.418 . 0 0 "[ . 1]" 1
839 1 58 GLU HA 1 58 GLU QB 2.800 . 2.800 2.415 2.300 2.528 . 0 0 "[ . 1]" 1
840 1 58 GLU HA 1 59 ASP H 4.400 . 4.400 3.493 3.479 3.512 . 0 0 "[ . 1]" 1
841 1 58 GLU HA 1 60 ALA H 5.500 . 5.500 4.224 4.134 4.340 . 0 0 "[ . 1]" 1
842 1 58 GLU HA 1 61 ALA H 4.400 . 4.400 3.532 3.421 3.688 . 0 0 "[ . 1]" 1
843 1 58 GLU HA 1 61 ALA MB 3.300 . 3.300 3.017 2.622 3.206 . 0 0 "[ . 1]" 1
844 1 58 GLU QB 1 59 ASP H . . 3.500 2.778 2.691 2.852 . 0 0 "[ . 1]" 1
845 1 58 GLU QB 1 60 ALA H 5.500 . 5.500 4.788 4.672 4.989 . 0 0 "[ . 1]" 1
846 1 58 GLU QG 1 59 ASP H 4.400 . 4.400 4.130 3.854 4.357 . 0 0 "[ . 1]" 1
847 1 59 ASP H 1 59 ASP QB . . 3.500 2.185 2.060 2.342 . 0 0 "[ . 1]" 1
848 1 59 ASP H 1 60 ALA H 3.500 . 3.500 2.657 2.600 2.770 . 0 0 "[ . 1]" 1
849 1 59 ASP H 1 60 ALA MB 4.900 . 4.900 4.250 4.174 4.351 . 0 0 "[ . 1]" 1
850 1 59 ASP H 1 61 ALA H 4.400 . 4.400 4.314 4.278 4.351 . 0 0 "[ . 1]" 1
851 1 59 ASP HA 1 60 ALA H 4.400 . 4.400 3.524 3.514 3.563 . 0 0 "[ . 1]" 1
852 1 59 ASP HA 1 62 ALA H 4.400 . 4.400 3.481 3.395 3.572 . 0 0 "[ . 1]" 1
853 1 59 ASP HA 1 62 ALA MB 3.300 . 3.300 2.806 2.503 3.043 . 0 0 "[ . 1]" 1
854 1 59 ASP QB 1 60 ALA H . . 3.500 2.806 2.671 3.466 . 0 0 "[ . 1]" 1
855 1 59 ASP QB 1 60 ALA MB 4.900 . 4.900 4.009 3.868 4.649 . 0 0 "[ . 1]" 1
856 1 59 ASP QB 1 62 ALA H 5.500 . 5.500 4.720 4.649 4.869 . 0 0 "[ . 1]" 1
857 1 60 ALA H 1 60 ALA MB 3.300 . 3.300 2.087 2.022 2.154 . 0 0 "[ . 1]" 1
858 1 60 ALA H 1 61 ALA H 3.500 . 3.500 2.754 2.721 2.789 . 0 0 "[ . 1]" 1
859 1 60 ALA H 1 62 ALA H 4.400 . 4.400 4.107 4.000 4.190 . 0 0 "[ . 1]" 1
860 1 60 ALA H 1 62 ALA MB 4.900 . 4.900 4.760 4.612 4.870 . 0 0 "[ . 1]" 1
861 1 60 ALA H 1 63 ALA MB 4.900 . 4.900 4.877 4.789 4.938 0.038 2 0 "[ . 1]" 1
862 1 60 ALA HA 1 62 ALA H 5.500 . 5.500 3.994 3.960 4.055 . 0 0 "[ . 1]" 1
863 1 60 ALA HA 1 63 ALA H 4.400 . 4.400 3.182 3.095 3.278 . 0 0 "[ . 1]" 1
864 1 60 ALA HA 1 63 ALA MB 4.900 . 4.900 2.546 2.400 2.677 . 0 0 "[ . 1]" 1
865 1 60 ALA MB 1 61 ALA H 3.300 . 3.300 2.598 2.537 2.700 . 0 0 "[ . 1]" 1
866 1 61 ALA H 1 61 ALA MB 3.300 . 3.300 2.119 2.028 2.206 . 0 0 "[ . 1]" 1
867 1 61 ALA H 1 62 ALA H 3.500 . 3.500 2.709 2.660 2.730 . 0 0 "[ . 1]" 1
868 1 61 ALA HA 1 62 ALA H 4.400 . 4.400 3.487 3.483 3.493 . 0 0 "[ . 1]" 1
869 1 61 ALA HA 1 64 ILE H 4.400 . 4.400 3.329 3.264 3.401 . 0 0 "[ . 1]" 1
870 1 61 ALA HA 1 64 ILE HB 4.400 . 4.400 2.203 2.144 2.290 . 0 0 "[ . 1]" 1
871 1 61 ALA HA 1 64 ILE MD 3.300 . 3.300 2.032 1.927 2.208 . 0 0 "[ . 1]" 1
872 1 61 ALA MB 1 62 ALA H 3.300 . 3.300 2.745 2.696 2.811 . 0 0 "[ . 1]" 1
873 1 61 ALA MB 1 62 ALA HA 4.900 . 4.900 3.803 3.755 3.871 . 0 0 "[ . 1]" 1
874 1 61 ALA MB 1 64 ILE MD 5.400 . 5.400 3.111 3.000 3.231 . 0 0 "[ . 1]" 1
875 1 62 ALA H 1 62 ALA MB 3.300 . 3.300 2.112 2.037 2.253 . 0 0 "[ . 1]" 1
876 1 62 ALA H 1 63 ALA H 3.500 . 3.500 2.599 2.562 2.627 . 0 0 "[ . 1]" 1
877 1 62 ALA H 1 63 ALA HA 5.500 . 5.500 5.233 5.199 5.254 . 0 0 "[ . 1]" 1
878 1 62 ALA H 1 63 ALA MB 4.900 . 4.900 4.184 4.142 4.257 . 0 0 "[ . 1]" 1
879 1 62 ALA H 1 64 ILE HB 4.400 . 4.400 4.513 4.495 4.526 0.126 6 0 "[ . 1]" 1
880 1 62 ALA H 1 64 ILE MD 6.000 . 6.000 4.645 4.391 4.879 . 0 0 "[ . 1]" 1
881 1 62 ALA HA 1 63 ALA H 4.400 . 4.400 3.552 3.544 3.559 . 0 0 "[ . 1]" 1
882 1 62 ALA HA 1 65 ASP H 4.400 . 4.400 3.335 3.315 3.372 . 0 0 "[ . 1]" 1
883 1 62 ALA HA 1 65 ASP QB 2.800 . 2.800 2.810 2.771 2.835 0.035 10 0 "[ . 1]" 1
884 1 62 ALA HA 1 66 ASN H 4.400 . 4.400 4.045 3.882 4.248 . 0 0 "[ . 1]" 1
885 1 62 ALA MB 1 63 ALA H 3.300 . 3.300 2.581 2.456 2.639 . 0 0 "[ . 1]" 1
886 1 62 ALA MB 1 63 ALA MB 5.400 . 5.400 3.757 3.687 3.787 . 0 0 "[ . 1]" 1
887 1 62 ALA MB 1 65 ASP H 4.900 . 4.900 4.573 4.541 4.604 . 0 0 "[ . 1]" 1
888 1 62 ALA MB 1 66 ASN H 4.900 . 4.900 4.630 4.528 4.789 . 0 0 "[ . 1]" 1
889 1 63 ALA H 1 63 ALA MB 3.300 . 3.300 2.072 2.038 2.226 . 0 0 "[ . 1]" 1
890 1 63 ALA H 1 64 ILE QG 4.400 . 4.400 4.052 3.967 4.172 . 0 0 "[ . 1]" 1
891 1 63 ALA HA 1 64 ILE H 4.400 . 4.400 3.471 3.466 3.480 . 0 0 "[ . 1]" 1
892 1 63 ALA HA 1 66 ASN H 4.400 . 4.400 3.422 3.347 3.488 . 0 0 "[ . 1]" 1
893 1 63 ALA HA 1 66 ASN QB 4.400 . 4.400 2.570 2.321 2.795 . 0 0 "[ . 1]" 1
894 1 63 ALA HA 1 79 VAL MG1 4.900 . 4.900 4.915 4.856 4.959 0.059 8 0 "[ . 1]" 1
895 1 63 ALA MB 1 64 ILE H 4.000 . 4.000 2.724 2.557 2.790 . 0 0 "[ . 1]" 1
896 1 63 ALA MB 1 66 ASN H 6.000 . 6.000 4.476 4.417 4.533 . 0 0 "[ . 1]" 1
897 1 64 ILE H 1 64 ILE HB 4.400 . 4.400 2.353 2.333 2.376 . 0 0 "[ . 1]" 1
898 1 64 ILE H 1 64 ILE MD 4.900 . 4.900 3.497 3.264 3.626 . 0 0 "[ . 1]" 1
899 1 64 ILE H 1 64 ILE QG . . 3.500 2.213 2.189 2.248 . 0 0 "[ . 1]" 1
900 1 64 ILE H 1 65 ASP H 3.500 . 3.500 2.699 2.661 2.727 . 0 0 "[ . 1]" 1
901 1 64 ILE H 1 79 VAL MG1 4.000 . 4.000 3.729 3.439 3.979 . 0 0 "[ . 1]" 1
902 1 64 ILE HA 1 65 ASP H 4.400 . 4.400 3.559 3.552 3.563 . 0 0 "[ . 1]" 1
903 1 64 ILE HA 1 66 ASN H 5.500 . 5.500 4.077 3.906 4.212 . 0 0 "[ . 1]" 1
904 1 64 ILE HA 1 67 MET H 4.400 . 4.400 3.912 3.750 4.064 . 0 0 "[ . 1]" 1
905 1 64 ILE HA 1 79 VAL MG1 3.300 . 3.300 2.221 1.986 2.740 . 0 0 "[ . 1]" 1
906 1 64 ILE HB 1 65 ASP H . . 3.500 2.297 2.277 2.329 . 0 0 "[ . 1]" 1
907 1 64 ILE HB 1 66 ASN H 4.400 . 4.400 4.500 4.476 4.516 0.116 9 0 "[ . 1]" 1
908 1 64 ILE MD 1 64 ILE MG 3.800 . 3.800 2.092 1.960 2.307 . 0 0 "[ . 1]" 1
909 1 64 ILE MD 1 65 ASP H 4.900 . 4.900 4.305 4.228 4.353 . 0 0 "[ . 1]" 1
910 1 64 ILE MD 1 80 ASN HA 4.900 . 4.900 3.734 3.425 4.061 . 0 0 "[ . 1]" 1
911 1 64 ILE MD 1 81 LEU H . . 4.000 3.418 2.870 3.763 . 0 0 "[ . 1]" 1
912 1 64 ILE MD 1 81 LEU HA 4.900 . 4.900 3.147 2.459 3.490 . 0 0 "[ . 1]" 1
913 1 64 ILE QG 1 64 ILE MG 3.300 . 3.300 2.229 2.135 2.306 . 0 0 "[ . 1]" 1
914 1 64 ILE QG 1 65 ASP H 4.400 . 4.400 3.992 3.962 4.042 . 0 0 "[ . 1]" 1
915 1 64 ILE QG 1 79 VAL MG1 4.900 . 4.900 2.154 1.807 2.530 . 0 0 "[ . 1]" 1
916 1 64 ILE MG 1 65 ASP H . . 4.000 3.103 3.046 3.158 . 0 0 "[ . 1]" 1
917 1 64 ILE MG 1 65 ASP HA 4.900 . 4.900 3.297 3.156 3.386 . 0 0 "[ . 1]" 1
918 1 64 ILE MG 1 65 ASP QB 4.900 . 4.900 4.065 3.578 4.190 . 0 0 "[ . 1]" 1
919 1 64 ILE MG 1 68 ASN H 4.900 . 4.900 4.354 4.156 4.501 . 0 0 "[ . 1]" 1
920 1 64 ILE MG 1 68 ASN QB 4.900 . 4.900 3.074 2.763 3.251 . 0 0 "[ . 1]" 1
921 1 64 ILE MG 1 80 ASN HA 4.900 . 4.900 2.898 2.051 3.183 . 0 0 "[ . 1]" 1
922 1 65 ASP H 1 65 ASP QB 2.800 . 2.800 2.198 2.063 2.284 . 0 0 "[ . 1]" 1
923 1 65 ASP H 1 67 MET H 4.400 . 4.400 4.336 4.193 4.413 0.013 8 0 "[ . 1]" 1
924 1 65 ASP HA 1 65 ASP QB 2.800 . 2.800 2.459 2.356 2.536 . 0 0 "[ . 1]" 1
925 1 65 ASP HA 1 66 ASN H 4.400 . 4.400 3.396 3.367 3.439 . 0 0 "[ . 1]" 1
926 1 65 ASP QB 1 66 ASN H 3.500 . 3.500 3.192 3.084 3.290 . 0 0 "[ . 1]" 1
927 1 66 ASN H 1 66 ASN QB . . 3.500 2.324 2.251 2.401 . 0 0 "[ . 1]" 1
928 1 66 ASN H 1 67 MET H 3.500 . 3.500 2.265 2.195 2.364 . 0 0 "[ . 1]" 1
929 1 66 ASN H 1 67 MET HA 5.500 . 5.500 4.945 4.904 5.011 . 0 0 "[ . 1]" 1
930 1 66 ASN H 1 67 MET QB 4.400 . 4.400 4.119 4.042 4.263 . 0 0 "[ . 1]" 1
931 1 66 ASN H 1 68 ASN H 4.400 . 4.400 3.505 3.408 3.579 . 0 0 "[ . 1]" 1
932 1 66 ASN H 1 79 VAL MG1 6.000 . 6.000 5.391 5.232 5.659 . 0 0 "[ . 1]" 1
933 1 66 ASN HA 1 66 ASN QB 2.800 . 2.800 2.480 2.407 2.535 . 0 0 "[ . 1]" 1
934 1 66 ASN HA 1 67 MET H 4.400 . 4.400 3.540 3.508 3.564 . 0 0 "[ . 1]" 1
935 1 66 ASN QB 1 67 MET H . . 3.500 2.696 2.513 2.915 . 0 0 "[ . 1]" 1
936 1 67 MET H 1 67 MET QB 3.500 . 3.500 2.223 2.148 2.322 . 0 0 "[ . 1]" 1
937 1 67 MET H 1 67 MET QG 4.400 . 4.400 3.838 2.663 4.137 . 0 0 "[ . 1]" 1
938 1 67 MET H 1 68 ASN QB 4.400 . 4.400 4.231 3.976 4.401 0.001 8 0 "[ . 1]" 1
939 1 67 MET H 1 79 VAL QG 4.900 . 4.900 3.764 3.406 3.975 . 0 0 "[ . 1]" 1
940 1 67 MET HA 1 68 ASN H 4.400 . 4.400 3.468 3.427 3.509 . 0 0 "[ . 1]" 1
941 1 67 MET QB 1 68 ASN H 4.400 . 4.400 3.037 2.847 3.192 . 0 0 "[ . 1]" 1
942 1 68 ASN H 1 68 ASN QB . . 2.800 2.255 2.102 2.550 . 0 0 "[ . 1]" 1
943 1 68 ASN H 1 69 GLU H 4.400 . 4.400 4.426 4.400 4.463 0.063 5 0 "[ . 1]" 1
944 1 68 ASN H 1 79 VAL HB 3.500 . 3.500 3.474 3.332 3.543 0.043 3 0 "[ . 1]" 1
945 1 68 ASN H 1 79 VAL QG 4.000 . 4.000 3.678 3.358 3.883 . 0 0 "[ . 1]" 1
946 1 68 ASN HA 1 69 GLU H 3.500 . 3.500 2.122 2.091 2.138 . 0 0 "[ . 1]" 1
947 1 68 ASN HA 1 70 SER H 4.400 . 4.400 4.016 3.744 4.267 . 0 0 "[ . 1]" 1
948 1 68 ASN HA 1 79 VAL H 3.500 . 3.500 2.162 1.971 2.320 . 0 0 "[ . 1]" 1
949 1 68 ASN QB 1 69 GLU H 4.400 . 4.400 3.730 3.396 3.901 . 0 0 "[ . 1]" 1
950 1 68 ASN QB 1 79 VAL H 4.400 . 4.400 3.340 2.763 4.084 . 0 0 "[ . 1]" 1
951 1 68 ASN QB 1 79 VAL HB 4.400 . 4.400 3.487 3.030 3.857 . 0 0 "[ . 1]" 1
952 1 68 ASN QB 1 79 VAL MG1 4.900 . 4.900 4.515 4.234 4.776 . 0 0 "[ . 1]" 1
953 1 69 GLU H 1 69 GLU HA 2.800 . 2.800 2.271 2.267 2.276 . 0 0 "[ . 1]" 1
954 1 69 GLU H 1 69 GLU QG 4.400 . 4.400 3.427 2.664 4.303 . 0 0 "[ . 1]" 1
955 1 69 GLU H 1 70 SER H 3.500 . 3.500 2.665 2.551 2.778 . 0 0 "[ . 1]" 1
956 1 69 GLU H 1 76 THR MG 4.900 . 4.900 4.258 3.667 4.582 . 0 0 "[ . 1]" 1
957 1 69 GLU H 1 77 ILE QG 4.400 . 4.400 4.168 3.884 4.424 0.024 7 0 "[ . 1]" 1
958 1 69 GLU H 1 78 ARG HA 3.500 . 3.500 2.209 1.938 2.537 . 0 0 "[ . 1]" 1
959 1 69 GLU H 1 79 VAL H 4.400 . 4.400 3.538 2.980 4.079 . 0 0 "[ . 1]" 1
960 1 69 GLU HA 1 70 SER H . . 3.500 2.726 2.571 2.930 . 0 0 "[ . 1]" 1
961 1 69 GLU HA 1 76 THR MG 3.300 . 3.300 2.822 2.531 3.018 . 0 0 "[ . 1]" 1
962 1 69 GLU QG 1 76 THR MG 4.900 . 4.900 3.564 3.130 4.398 . 0 0 "[ . 1]" 1
963 1 70 SER H 1 70 SER QB . . 3.500 2.378 2.260 2.533 . 0 0 "[ . 1]" 1
964 1 70 SER H 1 71 GLU H 4.400 . 4.400 4.360 4.300 4.436 0.036 3 0 "[ . 1]" 1
965 1 70 SER H 1 76 THR MG 4.900 . 4.900 3.527 3.039 3.889 . 0 0 "[ . 1]" 1
966 1 70 SER H 1 77 ILE H 4.400 . 4.400 3.256 2.986 3.525 . 0 0 "[ . 1]" 1
967 1 70 SER H 1 77 ILE MD 4.900 . 4.900 3.788 2.655 4.559 . 0 0 "[ . 1]" 1
968 1 70 SER H 1 77 ILE QG 4.400 . 4.400 2.919 2.523 3.246 . 0 0 "[ . 1]" 1
969 1 70 SER HA 1 70 SER QB 2.800 . 2.800 2.515 2.471 2.545 . 0 0 "[ . 1]" 1
970 1 70 SER HA 1 71 GLU H 3.500 . 3.500 2.756 2.672 2.842 . 0 0 "[ . 1]" 1
971 1 70 SER QB 1 71 GLU H . . 3.500 2.228 1.931 2.515 . 0 0 "[ . 1]" 1
972 1 71 GLU H 1 71 GLU QB . . 2.800 2.571 2.468 2.658 . 0 0 "[ . 1]" 1
973 1 71 GLU H 1 71 GLU QG 4.400 . 4.400 4.111 3.947 4.204 . 0 0 "[ . 1]" 1
974 1 71 GLU H 1 72 LEU H 4.400 . 4.400 4.281 4.237 4.350 . 0 0 "[ . 1]" 1
975 1 71 GLU HA 1 72 LEU H 2.800 . 2.800 2.149 2.139 2.164 . 0 0 "[ . 1]" 1
976 1 71 GLU HA 1 75 ARG H 4.400 . 4.400 4.214 4.050 4.391 . 0 0 "[ . 1]" 1
977 1 71 GLU HA 1 76 THR HA 2.800 . 2.800 2.510 2.230 2.734 . 0 0 "[ . 1]" 1
978 1 71 GLU HA 1 77 ILE H 4.400 . 4.400 3.366 2.951 3.818 . 0 0 "[ . 1]" 1
979 1 71 GLU QB 1 72 LEU H 4.400 . 4.400 3.651 3.489 3.769 . 0 0 "[ . 1]" 1
980 1 71 GLU QG 1 72 LEU H 4.400 . 4.400 2.931 2.595 3.417 . 0 0 "[ . 1]" 1
981 1 71 GLU QG 1 74 GLY H 4.400 . 4.400 3.509 3.082 4.190 . 0 0 "[ . 1]" 1
982 1 71 GLU QG 1 75 ARG H 4.400 . 4.400 3.299 2.678 4.085 . 0 0 "[ . 1]" 1
983 1 72 LEU H 1 72 LEU QB 3.500 . 3.500 2.704 2.598 3.138 . 0 0 "[ . 1]" 1
984 1 72 LEU H 1 73 PHE H 5.500 . 5.500 4.200 4.155 4.251 . 0 0 "[ . 1]" 1
985 1 72 LEU H 1 74 GLY H 4.400 . 4.400 3.960 3.766 4.230 . 0 0 "[ . 1]" 1
986 1 72 LEU H 1 75 ARG H 3.500 . 3.500 2.704 2.581 2.828 . 0 0 "[ . 1]" 1
987 1 72 LEU H 1 75 ARG HA 4.400 . 4.400 4.451 4.418 4.478 0.078 5 0 "[ . 1]" 1
988 1 72 LEU H 1 77 ILE MD 4.900 . 4.900 3.755 2.564 4.789 . 0 0 "[ . 1]" 1
989 1 72 LEU H 1 77 ILE MG 4.000 . 4.000 3.469 3.210 3.831 . 0 0 "[ . 1]" 1
990 1 72 LEU HA 1 73 PHE H 4.400 . 4.400 2.157 2.130 2.166 . 0 0 "[ . 1]" 1
991 1 72 LEU HA 1 75 ARG H 4.400 . 4.400 4.171 4.034 4.275 . 0 0 "[ . 1]" 1
992 1 72 LEU QB 1 75 ARG H 5.500 . 5.500 4.117 3.942 4.731 . 0 0 "[ . 1]" 1
993 1 72 LEU MD1 1 73 PHE H 6.000 . 6.000 3.445 3.005 3.952 . 0 0 "[ . 1]" 1
994 1 72 LEU MD2 1 73 PHE H 6.000 . 6.000 4.603 4.269 5.157 . 0 0 "[ . 1]" 1
995 1 72 LEU HG 1 73 PHE QD 1.800 . 4.200 3.314 2.615 4.329 0.129 3 0 "[ . 1]" 1
996 1 73 PHE H 1 73 PHE QD 5.500 . 5.500 3.619 3.477 3.779 . 0 0 "[ . 1]" 1
997 1 73 PHE H 1 74 GLY H . . 4.400 2.687 2.633 2.736 . 0 0 "[ . 1]" 1
998 1 73 PHE H 1 75 ARG H 5.500 . 5.500 4.003 3.958 4.125 . 0 0 "[ . 1]" 1
999 1 73 PHE HA 1 74 GLY H 3.500 . 3.500 2.828 2.767 2.934 . 0 0 "[ . 1]" 1
1000 1 73 PHE HA 1 75 ARG H 4.400 . 4.400 4.332 4.233 4.402 0.002 1 0 "[ . 1]" 1
1001 1 73 PHE QB 1 75 ARG H 4.400 . 4.400 3.549 3.310 3.655 . 0 0 "[ . 1]" 1
1002 1 74 GLY H 1 75 ARG H 3.500 . 3.500 2.598 2.526 2.667 . 0 0 "[ . 1]" 1
1003 1 74 GLY QA 1 75 ARG H 4.400 . 4.400 2.896 2.847 2.940 . 0 0 "[ . 1]" 1
1004 1 75 ARG H 1 75 ARG QB 3.500 . 3.500 2.615 2.372 2.742 . 0 0 "[ . 1]" 1
1005 1 75 ARG H 1 75 ARG QD 4.400 . 4.400 4.456 4.428 4.485 0.085 7 0 "[ . 1]" 1
1006 1 75 ARG H 1 75 ARG QG 3.500 . 3.500 2.904 2.651 3.556 0.056 5 0 "[ . 1]" 1
1007 1 75 ARG H 1 76 THR H 4.400 . 4.400 4.408 4.336 4.446 0.046 8 0 "[ . 1]" 1
1008 1 75 ARG H 1 77 ILE MG 4.900 . 4.900 4.703 4.526 4.904 0.004 7 0 "[ . 1]" 1
1009 1 75 ARG HA 1 76 THR H 2.800 . 2.800 2.207 2.126 2.317 . 0 0 "[ . 1]" 1
1010 1 75 ARG QB 1 76 THR H 3.500 . 3.500 2.901 2.556 3.255 . 0 0 "[ . 1]" 1
1011 1 75 ARG QD 1 76 THR H 4.400 . 4.400 4.056 3.529 4.422 0.022 8 0 "[ . 1]" 1
1012 1 75 ARG QG 1 76 THR H 4.400 . 4.400 4.071 2.255 4.443 0.043 1 0 "[ . 1]" 1
1013 1 76 THR H 1 76 THR HB 2.800 . 2.800 2.619 2.474 2.778 . 0 0 "[ . 1]" 1
1014 1 76 THR H 1 77 ILE H 4.400 . 4.400 4.453 4.429 4.494 0.094 2 0 "[ . 1]" 1
1015 1 76 THR H 1 77 ILE MG 6.000 . 6.000 4.461 4.304 4.590 . 0 0 "[ . 1]" 1
1016 1 76 THR HA 1 77 ILE H 3.500 . 3.500 2.150 2.136 2.162 . 0 0 "[ . 1]" 1
1017 1 76 THR MG 1 77 ILE H 4.000 . 4.000 2.806 2.597 3.015 . 0 0 "[ . 1]" 1
1018 1 77 ILE H 1 77 ILE HB 4.400 . 4.400 3.737 3.693 3.788 . 0 0 "[ . 1]" 1
1019 1 77 ILE H 1 77 ILE MD 4.900 . 4.900 3.192 1.840 3.862 . 0 0 "[ . 1]" 1
1020 1 77 ILE H 1 77 ILE QG 3.500 . 3.500 2.284 1.944 2.870 . 0 0 "[ . 1]" 1
1021 1 77 ILE H 1 77 ILE MG 4.000 . 4.000 2.871 2.728 2.994 . 0 0 "[ . 1]" 1
1022 1 77 ILE H 1 78 ARG H 4.400 . 4.400 4.476 4.458 4.492 0.092 9 0 "[ . 1]" 1
1023 1 77 ILE HA 1 78 ARG H 3.500 . 3.500 2.274 2.244 2.319 . 0 0 "[ . 1]" 1
1024 1 77 ILE HB 1 78 ARG H 3.500 . 3.500 2.556 2.453 2.625 . 0 0 "[ . 1]" 1
1025 1 77 ILE MD 1 78 ARG H 4.900 . 4.900 4.470 4.018 4.647 . 0 0 "[ . 1]" 1
1026 1 77 ILE QG 1 78 ARG H 5.500 . 5.500 3.776 3.554 3.939 . 0 0 "[ . 1]" 1
1027 1 77 ILE QG 1 79 VAL H 5.500 . 5.500 5.063 4.793 5.292 . 0 0 "[ . 1]" 1
1028 1 77 ILE MG 1 78 ARG H 4.000 . 4.000 3.616 3.526 3.707 . 0 0 "[ . 1]" 1
1029 1 78 ARG H 1 79 VAL QG 4.900 . 4.900 3.998 3.898 4.124 . 0 0 "[ . 1]" 1
1030 1 78 ARG HA 1 79 VAL H 2.800 . 2.800 2.210 2.195 2.229 . 0 0 "[ . 1]" 1
1031 1 79 VAL H 1 79 VAL HB 3.500 . 3.500 2.593 2.566 2.653 . 0 0 "[ . 1]" 1
1032 1 79 VAL H 1 79 VAL QG 4.000 . 4.000 2.729 2.616 2.916 . 0 0 "[ . 1]" 1
1033 1 79 VAL HA 1 80 ASN H 3.500 . 3.500 2.291 2.279 2.300 . 0 0 "[ . 1]" 1
1034 1 79 VAL MG1 1 80 ASN H 4.000 . 4.000 2.034 1.803 2.159 . 0 0 "[ . 1]" 1
1035 1 80 ASN HA 1 81 LEU H 3.500 . 3.500 2.384 2.331 2.426 . 0 0 "[ . 1]" 1
1036 1 80 ASN QB 1 81 LEU H . . 3.500 2.789 2.393 3.335 . 0 0 "[ . 1]" 1
1037 1 81 LEU HA 1 82 ALA H 3.500 . 3.500 2.621 2.127 3.462 . 0 0 "[ . 1]" 1
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