NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
548535 |
2lxd   |
16779 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lxd
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 1059
_Distance_constraint_stats_list.Viol_count 1971
_Distance_constraint_stats_list.Viol_total 1394.158
_Distance_constraint_stats_list.Viol_max 0.400
_Distance_constraint_stats_list.Viol_rms 0.0156
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0354
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ARG 0.062 0.032 5 0 "[ . 1 . 2]"
1 6 LEU 0.185 0.068 15 0 "[ . 1 . 2]"
1 7 PHE 0.045 0.045 19 0 "[ . 1 . 2]"
1 8 GLY 0.045 0.045 19 0 "[ . 1 . 2]"
1 9 GLN 1.597 0.299 12 0 "[ . 1 . 2]"
1 10 ASP 0.982 0.087 8 0 "[ . 1 . 2]"
1 11 GLY 2.953 0.125 18 0 "[ . 1 . 2]"
1 12 LEU 3.054 0.299 12 0 "[ . 1 . 2]"
1 13 CYS 1.719 0.140 10 0 "[ . 1 . 2]"
1 14 ALA 1.919 0.187 17 0 "[ . 1 . 2]"
1 15 SER 0.312 0.047 15 0 "[ . 1 . 2]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ASP 0.496 0.058 10 0 "[ . 1 . 2]"
1 18 LYS 3.044 0.162 18 0 "[ . 1 . 2]"
1 19 ARG 0.841 0.085 10 0 "[ . 1 . 2]"
1 20 ILE 4.962 0.187 17 0 "[ . 1 . 2]"
1 21 ARG 1.705 0.154 14 0 "[ . 1 . 2]"
1 23 TYR 1.487 0.137 19 0 "[ . 1 . 2]"
1 24 GLU 2.861 0.260 8 0 "[ . 1 . 2]"
1 25 MET 4.060 0.400 3 0 "[ . 1 . 2]"
1 26 THR 4.731 0.362 17 0 "[ . 1 . 2]"
1 27 MET 2.134 0.237 16 0 "[ . 1 . 2]"
1 28 ARG 0.476 0.052 16 0 "[ . 1 . 2]"
1 29 VAL 1.195 0.065 15 0 "[ . 1 . 2]"
1 30 LYS 0.749 0.050 6 0 "[ . 1 . 2]"
1 31 ASP 1.077 0.063 12 0 "[ . 1 . 2]"
1 32 LYS 1.798 0.076 4 0 "[ . 1 . 2]"
1 33 VAL 0.569 0.064 4 0 "[ . 1 . 2]"
1 34 TYR 1.828 0.065 15 0 "[ . 1 . 2]"
1 35 HIS 4.139 0.179 17 0 "[ . 1 . 2]"
1 36 LEU 0.712 0.174 3 0 "[ . 1 . 2]"
1 37 GLU 1.169 0.128 3 0 "[ . 1 . 2]"
1 38 CYS 0.134 0.037 3 0 "[ . 1 . 2]"
1 39 PHE 3.019 0.176 17 0 "[ . 1 . 2]"
1 40 LYS 1.131 0.065 16 0 "[ . 1 . 2]"
1 41 CYS 0.367 0.046 8 0 "[ . 1 . 2]"
1 42 ALA 0.055 0.036 1 0 "[ . 1 . 2]"
1 43 ALA 1.176 0.150 1 0 "[ . 1 . 2]"
1 44 CYS 0.011 0.005 1 0 "[ . 1 . 2]"
1 45 GLN 1.478 0.076 16 0 "[ . 1 . 2]"
1 46 LYS 1.280 0.054 3 0 "[ . 1 . 2]"
1 47 HIS 1.446 0.058 18 0 "[ . 1 . 2]"
1 48 PHE 3.815 0.114 17 0 "[ . 1 . 2]"
1 49 SER 1.950 0.176 17 0 "[ . 1 . 2]"
1 50 VAL 0.109 0.065 17 0 "[ . 1 . 2]"
1 51 GLY 0.028 0.018 17 0 "[ . 1 . 2]"
1 52 ASP 0.006 0.006 9 0 "[ . 1 . 2]"
1 53 ARG 0.776 0.147 19 0 "[ . 1 . 2]"
1 54 TYR 3.828 0.130 16 0 "[ . 1 . 2]"
1 55 LEU 1.845 0.311 16 0 "[ . 1 . 2]"
1 56 LEU 0.166 0.080 16 0 "[ . 1 . 2]"
1 57 ILE 2.900 0.130 16 0 "[ . 1 . 2]"
1 58 ASN 1.341 0.062 16 0 "[ . 1 . 2]"
1 59 SER 0.469 0.041 16 0 "[ . 1 . 2]"
1 60 ASP 0.254 0.130 16 0 "[ . 1 . 2]"
1 61 ILE 2.145 0.067 17 0 "[ . 1 . 2]"
1 62 VAL 1.775 0.311 16 0 "[ . 1 . 2]"
1 63 CYS 2.817 0.114 17 0 "[ . 1 . 2]"
1 64 GLU 1.197 0.068 3 0 "[ . 1 . 2]"
1 65 GLN 1.490 0.100 1 0 "[ . 1 . 2]"
1 66 ASP 0.561 0.079 3 0 "[ . 1 . 2]"
1 67 ILE 3.506 0.150 1 0 "[ . 1 . 2]"
1 68 TYR 3.706 0.067 1 0 "[ . 1 . 2]"
1 69 GLU 2.260 0.068 3 0 "[ . 1 . 2]"
1 70 TRP 3.191 0.111 3 0 "[ . 1 . 2]"
1 71 THR 1.691 0.095 7 0 "[ . 1 . 2]"
1 72 LYS 3.384 0.114 17 0 "[ . 1 . 2]"
1 73 ILE 4.125 0.239 10 0 "[ . 1 . 2]"
1 74 ASN 1.036 0.092 4 0 "[ . 1 . 2]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 0.257 0.043 1 0 "[ . 1 . 2]"
1 88 MET 0.413 0.043 1 0 "[ . 1 . 2]"
1 89 VAL 2.631 0.154 9 0 "[ . 1 . 2]"
1 90 VAL 1.203 0.084 12 0 "[ . 1 . 2]"
1 91 GLY 0.494 0.097 12 0 "[ . 1 . 2]"
1 92 GLU 0.319 0.097 12 0 "[ . 1 . 2]"
1 93 PRO 1.488 0.400 12 0 "[ . 1 . 2]"
1 94 THR 1.935 0.400 3 0 "[ . 1 . 2]"
1 95 LEU 1.423 0.400 12 0 "[ . 1 . 2]"
1 96 MET 0.541 0.211 17 0 "[ . 1 . 2]"
1 97 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLY 0.042 0.014 12 0 "[ . 1 . 2]"
1 99 GLU 0.325 0.070 2 0 "[ . 1 . 2]"
1 100 PHE 0.415 0.091 11 0 "[ . 1 . 2]"
1 101 GLY 0.423 0.091 11 0 "[ . 1 . 2]"
1 102 ASP 0.761 0.087 7 0 "[ . 1 . 2]"
1 103 GLU 0.761 0.087 7 0 "[ . 1 . 2]"
1 104 ASP 0.156 0.043 3 0 "[ . 1 . 2]"
1 105 GLU 0.232 0.076 9 0 "[ . 1 . 2]"
1 106 ARG 0.257 0.028 12 0 "[ . 1 . 2]"
1 107 LEU 0.015 0.015 12 0 "[ . 1 . 2]"
1 108 ILE 0.025 0.013 16 0 "[ . 1 . 2]"
1 109 THR 0.044 0.025 16 0 "[ . 1 . 2]"
1 110 ARG 0.044 0.025 16 0 "[ . 1 . 2]"
1 111 LEU 0.477 0.299 9 0 "[ . 1 . 2]"
1 112 GLU 0.606 0.299 9 0 "[ . 1 . 2]"
1 113 ASN 0.037 0.037 11 0 "[ . 1 . 2]"
1 114 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 LEU QB 1 5 ARG H . . 3.870 3.129 2.460 3.785 . 0 0 "[ . 1 . 2]" 1
2 1 5 ARG HA 1 6 LEU H . . 3.530 2.485 2.117 3.562 0.032 5 0 "[ . 1 . 2]" 1
3 1 6 LEU H 1 6 LEU QB . . 2.670 2.538 2.385 2.738 0.068 15 0 "[ . 1 . 2]" 1
4 1 7 PHE HA 1 8 GLY H . . 3.180 2.298 2.120 3.225 0.045 19 0 "[ . 1 . 2]" 1
5 1 7 PHE QB 1 8 GLY H . . 3.720 2.858 2.337 3.632 . 0 0 "[ . 1 . 2]" 1
6 1 7 PHE HB2 1 8 GLY H . . 4.500 3.882 2.732 4.344 . 0 0 "[ . 1 . 2]" 1
7 1 7 PHE HB3 1 8 GLY H . . 4.500 3.074 2.364 4.254 . 0 0 "[ . 1 . 2]" 1
8 1 9 GLN H 1 9 GLN HB2 . . 3.370 2.500 2.284 3.422 0.052 7 0 "[ . 1 . 2]" 1
9 1 9 GLN HA 1 10 ASP H . . 2.850 2.323 2.143 2.634 . 0 0 "[ . 1 . 2]" 1
10 1 9 GLN HA 1 11 GLY H . . 5.120 3.988 3.557 4.654 . 0 0 "[ . 1 . 2]" 1
11 1 9 GLN HB3 1 11 GLY H . . 3.050 2.616 2.298 3.065 0.015 20 0 "[ . 1 . 2]" 1
12 1 9 GLN HB3 1 11 GLY QA . . 4.550 4.036 3.723 4.631 0.081 12 0 "[ . 1 . 2]" 1
13 1 9 GLN HB3 1 12 LEU H . . 5.500 5.540 5.273 5.799 0.299 12 0 "[ . 1 . 2]" 1
14 1 9 GLN QE 1 9 GLN QG . . 2.860 2.179 2.095 2.202 . 0 0 "[ . 1 . 2]" 1
15 1 9 GLN QE 1 20 ILE MG . . 3.750 2.440 1.751 3.763 0.013 12 0 "[ . 1 . 2]" 1
16 1 9 GLN QE 1 24 GLU QB . . 5.110 3.261 2.067 4.405 . 0 0 "[ . 1 . 2]" 1
17 1 9 GLN QE 1 24 GLU QG . . 4.760 3.285 1.849 4.798 0.038 6 0 "[ . 1 . 2]" 1
18 1 9 GLN QE 1 25 MET H . . 5.340 5.119 4.580 5.407 0.067 8 0 "[ . 1 . 2]" 1
19 1 9 GLN HE21 1 20 ILE MG . . 4.470 2.935 1.849 4.096 . 0 0 "[ . 1 . 2]" 1
20 1 9 GLN HE22 1 20 ILE MG . . 4.470 3.067 1.759 4.426 . 0 0 "[ . 1 . 2]" 1
21 1 10 ASP H 1 10 ASP HB2 . . 4.070 2.423 2.336 2.740 . 0 0 "[ . 1 . 2]" 1
22 1 10 ASP H 1 10 ASP QB . . 3.510 2.376 2.305 2.684 . 0 0 "[ . 1 . 2]" 1
23 1 10 ASP H 1 10 ASP HB3 . . 4.070 3.554 2.763 3.837 . 0 0 "[ . 1 . 2]" 1
24 1 10 ASP H 1 11 GLY H . . 2.780 2.201 1.790 2.576 . 0 0 "[ . 1 . 2]" 1
25 1 10 ASP HA 1 10 ASP QB . . 2.570 2.420 2.406 2.466 . 0 0 "[ . 1 . 2]" 1
26 1 10 ASP HA 1 12 LEU H . . 5.500 4.592 3.989 5.026 . 0 0 "[ . 1 . 2]" 1
27 1 10 ASP QB 1 11 GLY H . . 3.130 3.074 2.575 3.217 0.087 8 0 "[ . 1 . 2]" 1
28 1 11 GLY H 1 11 GLY QA . . 2.560 2.279 2.214 2.423 . 0 0 "[ . 1 . 2]" 1
29 1 11 GLY H 1 12 LEU H . . 3.900 3.657 2.509 4.025 0.125 18 0 "[ . 1 . 2]" 1
30 1 11 GLY H 1 12 LEU HA . . 5.500 4.988 4.585 5.186 . 0 0 "[ . 1 . 2]" 1
31 1 11 GLY H 1 20 ILE HB . . 4.430 4.129 3.503 4.440 0.010 1 0 "[ . 1 . 2]" 1
32 1 11 GLY H 1 20 ILE MG . . 4.470 4.504 4.092 4.579 0.109 6 0 "[ . 1 . 2]" 1
33 1 12 LEU H 1 12 LEU HB2 . . 3.660 2.546 2.256 3.654 . 0 0 "[ . 1 . 2]" 1
34 1 12 LEU H 1 12 LEU QB . . 2.880 2.419 2.232 2.730 . 0 0 "[ . 1 . 2]" 1
35 1 12 LEU H 1 12 LEU HB3 . . 3.660 3.521 2.766 3.697 0.037 15 0 "[ . 1 . 2]" 1
36 1 12 LEU H 1 12 LEU QD . . 3.870 2.246 1.688 3.479 . 0 0 "[ . 1 . 2]" 1
37 1 12 LEU H 1 12 LEU HG . . 4.610 3.367 2.038 4.580 . 0 0 "[ . 1 . 2]" 1
38 1 12 LEU H 1 20 ILE MD . . 5.500 4.321 2.982 5.447 . 0 0 "[ . 1 . 2]" 1
39 1 12 LEU HA 1 12 LEU QD . . 3.740 2.790 2.026 3.426 . 0 0 "[ . 1 . 2]" 1
40 1 12 LEU HA 1 12 LEU HG . . 3.950 2.836 2.245 3.811 . 0 0 "[ . 1 . 2]" 1
41 1 12 LEU HA 1 13 CYS H . . 3.200 2.357 2.118 2.424 . 0 0 "[ . 1 . 2]" 1
42 1 12 LEU HA 1 20 ILE H . . 4.070 2.483 1.757 3.741 . 0 0 "[ . 1 . 2]" 1
43 1 12 LEU QB 1 17 ASP HA . . 3.920 3.806 3.133 3.962 0.042 5 0 "[ . 1 . 2]" 1
44 1 12 LEU QD 1 13 CYS H . . 3.740 3.399 2.761 3.714 . 0 0 "[ . 1 . 2]" 1
45 1 12 LEU QD 1 17 ASP HA . . 4.780 3.471 2.198 4.356 . 0 0 "[ . 1 . 2]" 1
46 1 12 LEU QD 1 18 LYS H . . 5.000 3.808 3.063 4.477 . 0 0 "[ . 1 . 2]" 1
47 1 12 LEU QD 1 19 ARG H . . 3.710 3.268 2.799 3.795 0.085 10 0 "[ . 1 . 2]" 1
48 1 12 LEU QD 1 19 ARG HA . . 3.870 2.507 2.109 3.210 . 0 0 "[ . 1 . 2]" 1
49 1 12 LEU QD 1 20 ILE H . . 4.020 3.751 3.248 4.097 0.077 10 0 "[ . 1 . 2]" 1
50 1 12 LEU QD 1 35 HIS HE1 . . 5.440 5.424 4.774 5.547 0.107 17 0 "[ . 1 . 2]" 1
51 1 12 LEU MD1 1 13 CYS H . . 4.980 4.267 2.800 4.858 . 0 0 "[ . 1 . 2]" 1
52 1 12 LEU MD1 1 20 ILE H . . 4.860 4.420 3.478 4.881 0.021 13 0 "[ . 1 . 2]" 1
53 1 12 LEU MD2 1 13 CYS H . . 4.980 3.963 3.071 4.798 . 0 0 "[ . 1 . 2]" 1
54 1 12 LEU MD2 1 20 ILE H . . 4.860 4.135 3.424 4.893 0.033 15 0 "[ . 1 . 2]" 1
55 1 13 CYS H 1 13 CYS HB2 . . 3.310 2.572 2.397 2.834 . 0 0 "[ . 1 . 2]" 1
56 1 13 CYS H 1 13 CYS HB3 . . 3.310 2.546 2.430 2.676 . 0 0 "[ . 1 . 2]" 1
57 1 13 CYS H 1 14 ALA H . . 4.990 4.478 4.274 4.615 . 0 0 "[ . 1 . 2]" 1
58 1 13 CYS H 1 17 ASP HA . . 4.880 4.320 3.489 4.849 . 0 0 "[ . 1 . 2]" 1
59 1 13 CYS H 1 18 LYS H . . 3.200 3.254 3.203 3.340 0.140 10 0 "[ . 1 . 2]" 1
60 1 13 CYS H 1 20 ILE H . . 4.710 3.894 3.451 4.711 0.001 7 0 "[ . 1 . 2]" 1
61 1 13 CYS H 1 20 ILE MD . . 3.950 3.422 2.747 3.978 0.028 6 0 "[ . 1 . 2]" 1
62 1 13 CYS H 1 20 ILE HG13 . . 4.810 2.849 2.012 3.859 . 0 0 "[ . 1 . 2]" 1
63 1 13 CYS HA 1 14 ALA H . . 3.200 2.118 2.062 2.224 . 0 0 "[ . 1 . 2]" 1
64 1 13 CYS HA 1 20 ILE MD . . 3.560 2.413 2.043 2.828 . 0 0 "[ . 1 . 2]" 1
65 1 13 CYS HA 1 33 VAL QG . . 4.650 4.327 2.574 4.688 0.038 4 0 "[ . 1 . 2]" 1
66 1 13 CYS HA 1 34 TYR HA . . 4.140 3.161 2.481 3.752 . 0 0 "[ . 1 . 2]" 1
67 1 13 CYS HA 1 35 HIS H . . 4.380 4.160 3.953 4.470 0.090 12 0 "[ . 1 . 2]" 1
68 1 13 CYS HA 1 35 HIS HE1 . . 5.210 4.998 4.635 5.227 0.017 11 0 "[ . 1 . 2]" 1
69 1 13 CYS QB 1 15 SER H . . 4.070 3.622 3.395 3.797 . 0 0 "[ . 1 . 2]" 1
70 1 13 CYS QB 1 17 ASP H . . 4.570 3.967 2.709 4.628 0.058 10 0 "[ . 1 . 2]" 1
71 1 13 CYS QB 1 18 LYS H . . 3.150 2.527 2.049 3.161 0.011 15 0 "[ . 1 . 2]" 1
72 1 13 CYS QB 1 20 ILE MD . . 4.080 2.797 2.222 3.736 . 0 0 "[ . 1 . 2]" 1
73 1 13 CYS QB 1 35 HIS H . . 5.340 3.552 2.989 3.945 . 0 0 "[ . 1 . 2]" 1
74 1 13 CYS QB 1 35 HIS HE1 . . 3.780 2.442 2.238 2.617 . 0 0 "[ . 1 . 2]" 1
75 1 13 CYS HB2 1 14 ALA H . . 4.980 4.196 3.958 4.421 . 0 0 "[ . 1 . 2]" 1
76 1 13 CYS HB2 1 15 SER H . . 4.720 4.567 4.351 4.727 0.007 4 0 "[ . 1 . 2]" 1
77 1 13 CYS HB2 1 34 TYR HA . . 5.500 4.132 3.239 4.756 . 0 0 "[ . 1 . 2]" 1
78 1 13 CYS HB2 1 35 HIS HE1 . . 4.500 2.611 2.273 2.946 . 0 0 "[ . 1 . 2]" 1
79 1 13 CYS HB3 1 14 ALA H . . 4.980 4.111 3.796 4.362 . 0 0 "[ . 1 . 2]" 1
80 1 13 CYS HB3 1 15 SER H . . 4.720 3.800 3.542 4.007 . 0 0 "[ . 1 . 2]" 1
81 1 13 CYS HB3 1 34 TYR HA . . 5.500 4.925 4.300 5.392 . 0 0 "[ . 1 . 2]" 1
82 1 13 CYS HB3 1 35 HIS HE1 . . 4.500 3.094 2.609 3.473 . 0 0 "[ . 1 . 2]" 1
83 1 14 ALA H 1 14 ALA MB . . 2.980 2.183 2.079 2.231 . 0 0 "[ . 1 . 2]" 1
84 1 14 ALA H 1 15 SER H . . 3.940 2.714 2.592 2.840 . 0 0 "[ . 1 . 2]" 1
85 1 14 ALA H 1 16 CYS H . . 5.380 4.528 4.042 4.905 . 0 0 "[ . 1 . 2]" 1
86 1 14 ALA H 1 20 ILE MD . . 4.270 3.914 3.554 4.124 . 0 0 "[ . 1 . 2]" 1
87 1 14 ALA H 1 20 ILE HG13 . . 5.500 5.596 5.567 5.687 0.187 17 0 "[ . 1 . 2]" 1
88 1 14 ALA H 1 34 TYR HA . . 4.130 3.121 2.599 3.772 . 0 0 "[ . 1 . 2]" 1
89 1 14 ALA H 1 34 TYR QD . . 4.530 3.931 3.318 4.438 . 0 0 "[ . 1 . 2]" 1
90 1 14 ALA H 1 34 TYR QE . . 5.140 4.505 3.593 5.110 . 0 0 "[ . 1 . 2]" 1
91 1 14 ALA H 1 35 HIS H . . 5.470 4.787 4.091 5.441 . 0 0 "[ . 1 . 2]" 1
92 1 14 ALA MB 1 15 SER H . . 4.000 2.922 2.647 3.273 . 0 0 "[ . 1 . 2]" 1
93 1 14 ALA MB 1 32 LYS H . . 5.500 4.962 4.489 5.319 . 0 0 "[ . 1 . 2]" 1
94 1 14 ALA MB 1 32 LYS HB2 . . 4.130 3.019 2.380 3.475 . 0 0 "[ . 1 . 2]" 1
95 1 14 ALA MB 1 32 LYS QB . . 3.380 2.040 1.955 2.278 . 0 0 "[ . 1 . 2]" 1
96 1 14 ALA MB 1 32 LYS HB3 . . 4.130 2.081 1.975 2.316 . 0 0 "[ . 1 . 2]" 1
97 1 14 ALA MB 1 34 TYR HA . . 4.780 3.915 2.927 4.777 . 0 0 "[ . 1 . 2]" 1
98 1 14 ALA MB 1 34 TYR QD . . 3.850 3.129 2.674 3.856 0.006 3 0 "[ . 1 . 2]" 1
99 1 15 SER H 1 15 SER QB . . 3.230 2.463 2.293 2.839 . 0 0 "[ . 1 . 2]" 1
100 1 15 SER H 1 16 CYS H . . 3.120 2.419 2.261 2.584 . 0 0 "[ . 1 . 2]" 1
101 1 15 SER H 1 34 TYR HA . . 4.880 3.901 3.555 4.335 . 0 0 "[ . 1 . 2]" 1
102 1 15 SER H 1 34 TYR HB3 . . 5.490 4.566 4.005 5.157 . 0 0 "[ . 1 . 2]" 1
103 1 15 SER H 1 34 TYR QD . . 4.040 2.976 2.164 3.555 . 0 0 "[ . 1 . 2]" 1
104 1 15 SER H 1 34 TYR QE . . 4.730 3.742 3.086 4.311 . 0 0 "[ . 1 . 2]" 1
105 1 15 SER H 1 38 CYS HB2 . . 5.500 5.222 4.697 5.537 0.037 3 0 "[ . 1 . 2]" 1
106 1 15 SER HA 1 34 TYR QE . . 4.440 3.856 3.380 4.474 0.034 11 0 "[ . 1 . 2]" 1
107 1 15 SER QB 1 34 TYR QD . . 3.350 2.421 2.056 3.206 . 0 0 "[ . 1 . 2]" 1
108 1 15 SER QB 1 34 TYR QE . . 3.690 3.040 2.277 3.737 0.047 15 0 "[ . 1 . 2]" 1
109 1 16 CYS QB 1 17 ASP H . . 4.180 3.149 2.558 3.955 . 0 0 "[ . 1 . 2]" 1
110 1 17 ASP H 1 18 LYS H . . 3.660 3.056 2.565 3.446 . 0 0 "[ . 1 . 2]" 1
111 1 17 ASP HA 1 18 LYS H . . 3.560 2.725 2.564 2.993 . 0 0 "[ . 1 . 2]" 1
112 1 18 LYS H 1 18 LYS QB . . 2.840 2.489 2.384 2.575 . 0 0 "[ . 1 . 2]" 1
113 1 18 LYS H 1 18 LYS QG . . 4.230 3.724 2.618 4.234 0.004 8 0 "[ . 1 . 2]" 1
114 1 18 LYS H 1 19 ARG H . . 4.510 4.435 4.335 4.539 0.029 17 0 "[ . 1 . 2]" 1
115 1 18 LYS H 1 35 HIS HE1 . . 4.760 3.542 3.147 3.818 . 0 0 "[ . 1 . 2]" 1
116 1 18 LYS HA 1 19 ARG H . . 3.100 2.211 2.142 2.325 . 0 0 "[ . 1 . 2]" 1
117 1 18 LYS QB 1 19 ARG H . . 3.800 3.317 2.558 3.735 . 0 0 "[ . 1 . 2]" 1
118 1 18 LYS HB2 1 19 ARG H . . 4.430 4.150 3.710 4.381 . 0 0 "[ . 1 . 2]" 1
119 1 18 LYS HB2 1 35 HIS HE1 . . 3.610 3.067 1.841 3.682 0.072 13 0 "[ . 1 . 2]" 1
120 1 18 LYS HB3 1 19 ARG H . . 4.430 3.527 2.607 4.138 . 0 0 "[ . 1 . 2]" 1
121 1 18 LYS HB3 1 35 HIS HE1 . . 3.610 2.393 1.884 3.635 0.025 20 0 "[ . 1 . 2]" 1
122 1 18 LYS QD 1 35 HIS HE1 . . 5.080 4.112 2.497 5.106 0.026 20 0 "[ . 1 . 2]" 1
123 1 18 LYS QG 1 35 HIS HE1 . . 3.670 3.512 3.129 3.832 0.162 18 0 "[ . 1 . 2]" 1
124 1 18 LYS HG2 1 35 HIS HE1 . . 4.450 3.888 3.193 4.564 0.114 17 0 "[ . 1 . 2]" 1
125 1 18 LYS HG3 1 35 HIS HE1 . . 4.450 4.292 3.519 4.554 0.104 11 0 "[ . 1 . 2]" 1
126 1 19 ARG H 1 19 ARG QB . . 2.740 2.501 2.368 2.665 . 0 0 "[ . 1 . 2]" 1
127 1 19 ARG H 1 19 ARG HG2 . . 3.080 2.803 1.967 3.127 0.047 11 0 "[ . 1 . 2]" 1
128 1 19 ARG H 1 19 ARG QG . . 2.660 2.224 1.945 2.522 . 0 0 "[ . 1 . 2]" 1
129 1 19 ARG H 1 19 ARG HG3 . . 3.080 2.578 2.092 3.146 0.066 20 0 "[ . 1 . 2]" 1
130 1 19 ARG H 1 20 ILE H . . 5.300 4.533 4.376 4.673 . 0 0 "[ . 1 . 2]" 1
131 1 19 ARG HA 1 20 ILE H . . 3.340 2.161 2.123 2.366 . 0 0 "[ . 1 . 2]" 1
132 1 19 ARG QB 1 19 ARG QD . . 3.330 2.131 2.111 2.302 . 0 0 "[ . 1 . 2]" 1
133 1 19 ARG QB 1 20 ILE H . . 4.450 3.204 2.652 3.517 . 0 0 "[ . 1 . 2]" 1
134 1 20 ILE H 1 20 ILE HB . . 3.810 2.311 2.191 2.552 . 0 0 "[ . 1 . 2]" 1
135 1 20 ILE H 1 20 ILE MD . . 4.000 3.772 3.393 4.062 0.062 12 0 "[ . 1 . 2]" 1
136 1 20 ILE H 1 20 ILE HG12 . . 4.050 3.934 3.715 4.092 0.042 9 0 "[ . 1 . 2]" 1
137 1 20 ILE H 1 20 ILE HG13 . . 4.090 2.750 2.340 2.990 . 0 0 "[ . 1 . 2]" 1
138 1 20 ILE H 1 21 ARG H . . 5.500 4.339 3.995 4.631 . 0 0 "[ . 1 . 2]" 1
139 1 20 ILE HA 1 20 ILE MD . . 4.190 3.799 3.766 3.925 . 0 0 "[ . 1 . 2]" 1
140 1 20 ILE HA 1 20 ILE HG13 . . 4.010 2.736 2.484 2.896 . 0 0 "[ . 1 . 2]" 1
141 1 20 ILE HA 1 20 ILE MG . . 3.450 2.667 2.427 2.792 . 0 0 "[ . 1 . 2]" 1
142 1 20 ILE HA 1 21 ARG H . . 3.430 2.166 2.099 2.259 . 0 0 "[ . 1 . 2]" 1
143 1 20 ILE HB 1 20 ILE MD . . 3.710 2.459 2.338 2.544 . 0 0 "[ . 1 . 2]" 1
144 1 20 ILE MD 1 20 ILE MG . . 3.270 2.114 1.966 2.256 . 0 0 "[ . 1 . 2]" 1
145 1 20 ILE MD 1 21 ARG H . . 5.500 5.278 4.894 5.425 . 0 0 "[ . 1 . 2]" 1
146 1 20 ILE MD 1 26 THR HB . . 5.500 4.511 3.162 5.516 0.016 17 0 "[ . 1 . 2]" 1
147 1 20 ILE MD 1 26 THR MG . . 3.980 2.936 1.978 4.017 0.037 13 0 "[ . 1 . 2]" 1
148 1 20 ILE MD 1 33 VAL HB . . 4.100 2.808 2.131 4.116 0.016 10 0 "[ . 1 . 2]" 1
149 1 20 ILE MD 1 33 VAL QG . . 3.570 2.466 1.916 3.011 . 0 0 "[ . 1 . 2]" 1
150 1 20 ILE MD 1 34 TYR HA . . 4.400 3.320 2.628 4.070 . 0 0 "[ . 1 . 2]" 1
151 1 20 ILE MD 1 35 HIS H . . 4.400 3.664 2.576 4.421 0.021 18 0 "[ . 1 . 2]" 1
152 1 20 ILE MD 1 35 HIS HA . . 5.500 3.676 2.671 4.222 . 0 0 "[ . 1 . 2]" 1
153 1 20 ILE MD 1 35 HIS HD2 . . 4.470 4.072 3.566 4.510 0.040 3 0 "[ . 1 . 2]" 1
154 1 20 ILE MD 1 35 HIS HE1 . . 5.070 4.499 3.773 5.078 0.008 18 0 "[ . 1 . 2]" 1
155 1 20 ILE HG12 1 21 ARG H . . 4.310 4.277 3.818 4.464 0.154 14 0 "[ . 1 . 2]" 1
156 1 20 ILE HG12 1 35 HIS HD2 . . 3.600 2.968 2.444 3.530 . 0 0 "[ . 1 . 2]" 1
157 1 20 ILE HG13 1 21 ARG H . . 4.970 4.841 4.518 4.994 0.024 20 0 "[ . 1 . 2]" 1
158 1 20 ILE HG13 1 35 HIS HD2 . . 4.760 4.417 3.503 4.787 0.027 13 0 "[ . 1 . 2]" 1
159 1 20 ILE HG13 1 35 HIS HE1 . . 5.020 3.668 3.259 4.203 . 0 0 "[ . 1 . 2]" 1
160 1 20 ILE MG 1 21 ARG H . . 3.860 3.102 2.293 3.497 . 0 0 "[ . 1 . 2]" 1
161 1 20 ILE MG 1 24 GLU H . . 4.700 4.220 3.432 4.730 0.030 17 0 "[ . 1 . 2]" 1
162 1 20 ILE MG 1 24 GLU QB . . 4.680 2.109 1.842 2.950 . 0 0 "[ . 1 . 2]" 1
163 1 20 ILE MG 1 24 GLU QG . . 4.830 3.036 1.950 3.807 . 0 0 "[ . 1 . 2]" 1
164 1 20 ILE MG 1 26 THR MG . . 4.040 3.057 1.901 4.067 0.027 8 0 "[ . 1 . 2]" 1
165 1 21 ARG H 1 24 GLU H . . 4.020 3.744 3.048 4.101 0.081 17 0 "[ . 1 . 2]" 1
166 1 21 ARG H 1 24 GLU HG2 . . 5.190 3.938 2.402 4.858 . 0 0 "[ . 1 . 2]" 1
167 1 21 ARG H 1 24 GLU QG . . 4.420 3.545 1.607 4.463 0.043 13 0 "[ . 1 . 2]" 1
168 1 21 ARG H 1 24 GLU HG3 . . 5.190 4.274 1.631 5.235 0.045 12 0 "[ . 1 . 2]" 1
169 1 21 ARG H 1 35 HIS HD2 . . 4.990 4.700 3.126 5.024 0.034 19 0 "[ . 1 . 2]" 1
170 1 23 TYR HA 1 23 TYR QD . . 3.790 2.948 2.709 3.343 . 0 0 "[ . 1 . 2]" 1
171 1 23 TYR HA 1 23 TYR QE . . 5.000 4.676 4.480 5.001 0.001 3 0 "[ . 1 . 2]" 1
172 1 23 TYR QD 1 24 GLU QG . . 5.340 4.690 2.653 5.477 0.137 19 0 "[ . 1 . 2]" 1
173 1 23 TYR QD 1 25 MET H . . 5.460 5.254 4.508 5.489 0.029 8 0 "[ . 1 . 2]" 1
174 1 23 TYR QD 1 36 LEU QD . . 4.230 2.984 2.310 3.587 . 0 0 "[ . 1 . 2]" 1
175 1 23 TYR QD 1 37 GLU QG . . 5.340 5.149 4.596 5.434 0.094 12 0 "[ . 1 . 2]" 1
176 1 23 TYR QE 1 36 LEU MD1 . . 4.280 3.036 2.077 3.755 . 0 0 "[ . 1 . 2]" 1
177 1 23 TYR QE 1 36 LEU QD . . 3.420 2.493 2.048 3.231 . 0 0 "[ . 1 . 2]" 1
178 1 23 TYR QE 1 36 LEU MD2 . . 4.280 2.897 2.194 4.305 0.025 10 0 "[ . 1 . 2]" 1
179 1 23 TYR QE 1 37 GLU H . . 5.390 5.316 4.500 5.518 0.128 3 0 "[ . 1 . 2]" 1
180 1 23 TYR QE 1 37 GLU QG . . 4.020 3.926 3.550 4.045 0.025 13 0 "[ . 1 . 2]" 1
181 1 24 GLU H 1 24 GLU HB2 . . 4.070 3.420 2.209 3.970 . 0 0 "[ . 1 . 2]" 1
182 1 24 GLU H 1 24 GLU HB3 . . 4.070 3.072 2.585 3.611 . 0 0 "[ . 1 . 2]" 1
183 1 24 GLU H 1 24 GLU QG . . 3.500 2.638 1.867 3.512 0.012 4 0 "[ . 1 . 2]" 1
184 1 24 GLU H 1 25 MET H . . 4.950 3.711 2.626 4.475 . 0 0 "[ . 1 . 2]" 1
185 1 24 GLU H 1 25 MET HB2 . . 5.500 5.406 4.883 5.760 0.260 8 0 "[ . 1 . 2]" 1
186 1 24 GLU H 1 26 THR MG . . 5.500 5.266 4.925 5.561 0.061 8 0 "[ . 1 . 2]" 1
187 1 24 GLU H 1 36 LEU QD . . 5.440 4.650 4.100 5.252 . 0 0 "[ . 1 . 2]" 1
188 1 24 GLU QB 1 25 MET QG . . 5.180 4.846 4.576 5.179 . 0 0 "[ . 1 . 2]" 1
189 1 24 GLU QB 1 35 HIS HD2 . . 3.910 3.438 1.784 4.089 0.179 17 0 "[ . 1 . 2]" 1
190 1 24 GLU HB2 1 35 HIS HD2 . . 4.690 4.250 2.421 4.750 0.060 14 0 "[ . 1 . 2]" 1
191 1 24 GLU HB3 1 35 HIS HD2 . . 4.690 3.690 1.790 4.592 . 0 0 "[ . 1 . 2]" 1
192 1 24 GLU QG 1 25 MET H . . 4.090 2.825 1.648 4.249 0.159 3 0 "[ . 1 . 2]" 1
193 1 25 MET H 1 25 MET HB2 . . 3.560 3.228 2.150 3.512 . 0 0 "[ . 1 . 2]" 1
194 1 25 MET H 1 25 MET HB3 . . 4.160 3.960 3.379 4.151 . 0 0 "[ . 1 . 2]" 1
195 1 25 MET H 1 25 MET HG2 . . 4.160 3.396 2.352 4.285 0.125 8 0 "[ . 1 . 2]" 1
196 1 25 MET H 1 25 MET QG . . 3.500 2.756 2.329 3.600 0.100 8 0 "[ . 1 . 2]" 1
197 1 25 MET H 1 25 MET HG3 . . 4.160 3.225 2.606 4.259 0.099 13 0 "[ . 1 . 2]" 1
198 1 25 MET H 1 36 LEU QD . . 4.990 3.823 1.886 4.382 . 0 0 "[ . 1 . 2]" 1
199 1 25 MET HA 1 26 THR H . . 3.360 2.508 2.142 2.978 . 0 0 "[ . 1 . 2]" 1
200 1 25 MET HA 1 94 THR H . . 4.350 3.991 3.403 4.750 0.400 3 0 "[ . 1 . 2]" 1
201 1 25 MET HA 1 95 LEU HA . . 3.940 3.735 2.810 4.089 0.149 14 0 "[ . 1 . 2]" 1
202 1 25 MET HA 1 96 MET H . . 5.040 4.747 3.809 5.251 0.211 17 0 "[ . 1 . 2]" 1
203 1 25 MET HB2 1 26 THR H . . 4.400 4.387 4.128 4.530 0.130 4 0 "[ . 1 . 2]" 1
204 1 25 MET HB2 1 26 THR HA . . 5.250 5.074 4.818 5.307 0.057 4 0 "[ . 1 . 2]" 1
205 1 25 MET HB3 1 26 THR H . . 4.740 4.205 3.200 4.435 . 0 0 "[ . 1 . 2]" 1
206 1 25 MET QG 1 36 LEU QD . . 4.670 3.546 1.957 4.450 . 0 0 "[ . 1 . 2]" 1
207 1 26 THR H 1 26 THR MG . . 3.900 2.752 2.100 3.469 . 0 0 "[ . 1 . 2]" 1
208 1 26 THR H 1 36 LEU QD . . 5.390 4.609 3.807 5.485 0.095 3 0 "[ . 1 . 2]" 1
209 1 26 THR H 1 93 PRO HB2 . . 4.980 4.984 4.791 5.116 0.136 3 0 "[ . 1 . 2]" 1
210 1 26 THR H 1 94 THR H . . 3.980 3.912 3.210 4.342 0.362 17 0 "[ . 1 . 2]" 1
211 1 26 THR HA 1 26 THR MG . . 3.320 2.608 2.195 3.248 . 0 0 "[ . 1 . 2]" 1
212 1 26 THR HA 1 27 MET H . . 3.350 2.407 2.156 2.709 . 0 0 "[ . 1 . 2]" 1
213 1 26 THR HA 1 35 HIS HA . . 5.500 5.239 4.223 5.577 0.077 12 0 "[ . 1 . 2]" 1
214 1 26 THR HA 1 36 LEU H . . 5.010 4.945 4.471 5.184 0.174 3 0 "[ . 1 . 2]" 1
215 1 26 THR HB 1 27 MET H . . 3.700 2.869 2.232 3.607 . 0 0 "[ . 1 . 2]" 1
216 1 26 THR HB 1 27 MET HA . . 5.500 4.917 4.272 5.737 0.237 16 0 "[ . 1 . 2]" 1
217 1 26 THR MG 1 27 MET H . . 3.850 3.401 2.669 3.723 . 0 0 "[ . 1 . 2]" 1
218 1 26 THR MG 1 33 VAL QG . . 3.850 2.842 2.030 3.721 . 0 0 "[ . 1 . 2]" 1
219 1 26 THR MG 1 35 HIS HA . . 4.580 2.476 2.001 3.832 . 0 0 "[ . 1 . 2]" 1
220 1 26 THR MG 1 35 HIS HD2 . . 4.530 3.742 3.019 4.384 . 0 0 "[ . 1 . 2]" 1
221 1 27 MET H 1 33 VAL QG . . 4.620 4.007 2.451 4.651 0.031 17 0 "[ . 1 . 2]" 1
222 1 27 MET HA 1 27 MET ME . . 5.210 4.655 4.121 5.225 0.015 6 0 "[ . 1 . 2]" 1
223 1 27 MET HA 1 28 ARG H . . 3.120 2.424 2.268 2.534 . 0 0 "[ . 1 . 2]" 1
224 1 27 MET HA 1 28 ARG QB . . 4.740 4.345 4.008 4.536 . 0 0 "[ . 1 . 2]" 1
225 1 27 MET QB 1 91 GLY QA . . 4.120 2.825 2.261 3.745 . 0 0 "[ . 1 . 2]" 1
226 1 27 MET QB 1 92 GLU H . . 4.800 3.977 2.849 4.832 0.032 7 0 "[ . 1 . 2]" 1
227 1 27 MET QB 1 93 PRO HA . . 4.310 3.199 2.220 4.426 0.116 3 0 "[ . 1 . 2]" 1
228 1 27 MET ME 1 39 PHE QE . . 4.330 3.340 2.400 4.344 0.014 7 0 "[ . 1 . 2]" 1
229 1 27 MET ME 1 39 PHE HZ . . 4.630 3.615 2.478 4.641 0.011 1 0 "[ . 1 . 2]" 1
230 1 27 MET ME 1 54 TYR QE . . 4.680 3.708 2.236 4.801 0.121 17 0 "[ . 1 . 2]" 1
231 1 27 MET ME 1 90 VAL QG . . 5.010 2.737 1.850 4.142 . 0 0 "[ . 1 . 2]" 1
232 1 28 ARG H 1 29 VAL H . . 4.960 4.416 4.322 4.476 . 0 0 "[ . 1 . 2]" 1
233 1 28 ARG H 1 33 VAL QG . . 5.440 4.511 4.188 4.827 . 0 0 "[ . 1 . 2]" 1
234 1 28 ARG HA 1 28 ARG QD . . 4.390 4.007 3.346 4.442 0.052 16 0 "[ . 1 . 2]" 1
235 1 28 ARG HA 1 28 ARG QG . . 3.630 2.436 2.237 3.374 . 0 0 "[ . 1 . 2]" 1
236 1 28 ARG HA 1 29 VAL H . . 3.030 2.124 2.104 2.152 . 0 0 "[ . 1 . 2]" 1
237 1 28 ARG HA 1 33 VAL QG . . 4.390 2.661 2.220 3.055 . 0 0 "[ . 1 . 2]" 1
238 1 28 ARG QB 1 28 ARG HE . . 3.910 3.362 2.180 3.938 0.028 14 0 "[ . 1 . 2]" 1
239 1 28 ARG QB 1 29 VAL H . . 4.150 3.479 3.254 3.853 . 0 0 "[ . 1 . 2]" 1
240 1 28 ARG HB2 1 29 VAL H . . 4.740 4.337 3.467 4.544 . 0 0 "[ . 1 . 2]" 1
241 1 28 ARG HB3 1 29 VAL H . . 4.740 3.727 3.355 4.207 . 0 0 "[ . 1 . 2]" 1
242 1 28 ARG HE 1 33 VAL QG . . 5.440 4.645 2.688 5.474 0.034 13 0 "[ . 1 . 2]" 1
243 1 28 ARG QG 1 29 VAL H . . 4.820 3.815 2.856 4.482 . 0 0 "[ . 1 . 2]" 1
244 1 29 VAL H 1 29 VAL HB . . 3.600 2.853 2.796 2.909 . 0 0 "[ . 1 . 2]" 1
245 1 29 VAL H 1 29 VAL MG1 . . 3.920 3.845 3.803 3.881 . 0 0 "[ . 1 . 2]" 1
246 1 29 VAL H 1 29 VAL QG . . 2.820 2.049 1.853 2.195 . 0 0 "[ . 1 . 2]" 1
247 1 29 VAL H 1 29 VAL MG2 . . 3.920 2.058 1.857 2.207 . 0 0 "[ . 1 . 2]" 1
248 1 29 VAL H 1 30 LYS H . . 4.910 4.513 4.481 4.542 . 0 0 "[ . 1 . 2]" 1
249 1 29 VAL H 1 33 VAL HA . . 3.980 3.319 2.750 3.886 . 0 0 "[ . 1 . 2]" 1
250 1 29 VAL H 1 33 VAL HB . . 5.400 5.314 3.939 5.464 0.064 4 0 "[ . 1 . 2]" 1
251 1 29 VAL H 1 33 VAL QG . . 4.200 2.664 2.415 3.267 . 0 0 "[ . 1 . 2]" 1
252 1 29 VAL HA 1 30 LYS H . . 3.020 2.643 2.521 2.661 . 0 0 "[ . 1 . 2]" 1
253 1 29 VAL HA 1 54 TYR QE . . 5.500 5.199 4.421 5.505 0.005 19 0 "[ . 1 . 2]" 1
254 1 29 VAL HB 1 30 LYS H . . 4.240 2.894 2.794 3.182 . 0 0 "[ . 1 . 2]" 1
255 1 29 VAL HB 1 34 TYR QD . . 4.100 3.919 3.516 4.133 0.033 3 0 "[ . 1 . 2]" 1
256 1 29 VAL HB 1 34 TYR QE . . 3.610 3.634 3.500 3.675 0.065 15 0 "[ . 1 . 2]" 1
257 1 29 VAL QG 1 30 LYS H . . 3.370 1.627 1.603 1.702 . 0 0 "[ . 1 . 2]" 1
258 1 29 VAL QG 1 31 ASP H . . 5.110 3.462 3.028 3.603 . 0 0 "[ . 1 . 2]" 1
259 1 29 VAL QG 1 32 LYS H . . 5.440 3.792 3.377 3.917 . 0 0 "[ . 1 . 2]" 1
260 1 29 VAL QG 1 34 TYR QD . . 3.360 2.155 1.991 2.208 . 0 0 "[ . 1 . 2]" 1
261 1 29 VAL QG 1 34 TYR QE . . 3.120 2.747 2.340 3.075 . 0 0 "[ . 1 . 2]" 1
262 1 29 VAL QG 1 39 PHE QE . . 4.150 3.061 2.565 3.430 . 0 0 "[ . 1 . 2]" 1
263 1 29 VAL QG 1 39 PHE HZ . . 4.970 4.264 3.906 4.607 . 0 0 "[ . 1 . 2]" 1
264 1 29 VAL QG 1 54 TYR QD . . 4.980 4.726 4.571 4.946 . 0 0 "[ . 1 . 2]" 1
265 1 29 VAL QG 1 54 TYR QE . . 3.250 3.076 2.895 3.262 0.012 9 0 "[ . 1 . 2]" 1
266 1 29 VAL MG1 1 30 LYS H . . 3.920 1.628 1.605 1.704 . 0 0 "[ . 1 . 2]" 1
267 1 29 VAL MG1 1 34 TYR QD . . 3.860 3.456 2.969 3.904 0.044 17 0 "[ . 1 . 2]" 1
268 1 29 VAL MG1 1 34 TYR QE . . 3.650 3.069 2.431 3.562 . 0 0 "[ . 1 . 2]" 1
269 1 29 VAL MG1 1 54 TYR QE . . 4.690 3.149 2.969 3.392 . 0 0 "[ . 1 . 2]" 1
270 1 29 VAL MG2 1 30 LYS H . . 3.920 3.896 3.876 3.930 0.010 4 0 "[ . 1 . 2]" 1
271 1 29 VAL MG2 1 34 TYR QD . . 3.860 2.181 1.997 2.263 . 0 0 "[ . 1 . 2]" 1
272 1 29 VAL MG2 1 34 TYR QE . . 3.650 3.197 2.763 3.536 . 0 0 "[ . 1 . 2]" 1
273 1 29 VAL MG2 1 54 TYR QE . . 4.690 4.335 3.946 4.702 0.012 2 0 "[ . 1 . 2]" 1
274 1 30 LYS H 1 30 LYS HA . . 2.760 2.742 2.710 2.767 0.007 2 0 "[ . 1 . 2]" 1
275 1 30 LYS H 1 30 LYS HB2 . . 3.890 2.377 2.296 2.425 . 0 0 "[ . 1 . 2]" 1
276 1 30 LYS H 1 30 LYS HB3 . . 3.890 3.575 3.550 3.591 . 0 0 "[ . 1 . 2]" 1
277 1 30 LYS H 1 30 LYS QD . . 4.130 3.861 3.800 4.130 . 0 0 "[ . 1 . 2]" 1
278 1 30 LYS H 1 31 ASP H . . 3.630 3.230 3.141 3.311 . 0 0 "[ . 1 . 2]" 1
279 1 30 LYS H 1 32 LYS H . . 4.880 4.533 4.398 4.659 . 0 0 "[ . 1 . 2]" 1
280 1 30 LYS H 1 54 TYR QE . . 5.500 5.503 5.405 5.549 0.049 16 0 "[ . 1 . 2]" 1
281 1 30 LYS HA 1 30 LYS QG . . 2.990 2.332 2.279 2.475 . 0 0 "[ . 1 . 2]" 1
282 1 30 LYS HA 1 32 LYS H . . 5.500 5.480 5.356 5.550 0.050 6 0 "[ . 1 . 2]" 1
283 1 30 LYS QB 1 32 LYS H . . 4.680 3.921 3.808 4.072 . 0 0 "[ . 1 . 2]" 1
284 1 30 LYS HB2 1 31 ASP H . . 2.930 2.354 2.236 2.480 . 0 0 "[ . 1 . 2]" 1
285 1 30 LYS HB3 1 31 ASP H . . 2.930 2.931 2.789 2.963 0.033 17 0 "[ . 1 . 2]" 1
286 1 30 LYS QD 1 31 ASP H . . 4.540 4.389 4.265 4.581 0.041 16 0 "[ . 1 . 2]" 1
287 1 30 LYS QG 1 31 ASP H . . 4.730 4.153 4.090 4.222 . 0 0 "[ . 1 . 2]" 1
288 1 31 ASP H 1 31 ASP HB2 . . 3.710 2.601 2.537 2.780 . 0 0 "[ . 1 . 2]" 1
289 1 31 ASP H 1 31 ASP QB . . 3.240 2.508 2.497 2.526 . 0 0 "[ . 1 . 2]" 1
290 1 31 ASP H 1 31 ASP HB3 . . 3.710 3.517 2.895 3.725 0.015 12 0 "[ . 1 . 2]" 1
291 1 31 ASP H 1 32 LYS H . . 3.390 2.055 1.972 2.099 . 0 0 "[ . 1 . 2]" 1
292 1 31 ASP H 1 32 LYS QB . . 5.320 4.326 4.114 4.466 . 0 0 "[ . 1 . 2]" 1
293 1 31 ASP H 1 32 LYS QE . . 5.340 5.319 4.711 5.377 0.037 18 0 "[ . 1 . 2]" 1
294 1 31 ASP H 1 34 TYR QE . . 5.500 5.220 4.791 5.563 0.063 12 0 "[ . 1 . 2]" 1
295 1 32 LYS H 1 32 LYS HB2 . . 3.670 2.560 2.459 2.653 . 0 0 "[ . 1 . 2]" 1
296 1 32 LYS H 1 32 LYS HB3 . . 3.670 3.705 3.650 3.746 0.076 4 0 "[ . 1 . 2]" 1
297 1 32 LYS H 1 32 LYS QG . . 2.630 2.640 2.566 2.681 0.051 6 0 "[ . 1 . 2]" 1
298 1 32 LYS H 1 33 VAL H . . 5.500 4.517 4.470 4.566 . 0 0 "[ . 1 . 2]" 1
299 1 32 LYS H 1 34 TYR QE . . 4.420 4.048 3.765 4.243 . 0 0 "[ . 1 . 2]" 1
300 1 32 LYS HA 1 33 VAL H . . 2.580 2.248 2.151 2.319 . 0 0 "[ . 1 . 2]" 1
301 1 32 LYS QB 1 33 VAL H . . 3.130 2.749 2.573 3.096 . 0 0 "[ . 1 . 2]" 1
302 1 32 LYS QB 1 34 TYR QE . . 3.690 2.717 2.257 3.199 . 0 0 "[ . 1 . 2]" 1
303 1 32 LYS QG 1 34 TYR QE . . 4.830 4.583 4.272 4.848 0.018 4 0 "[ . 1 . 2]" 1
304 1 33 VAL H 1 33 VAL HB . . 3.190 2.754 2.540 3.012 . 0 0 "[ . 1 . 2]" 1
305 1 33 VAL H 1 33 VAL QG . . 4.030 2.356 2.241 2.545 . 0 0 "[ . 1 . 2]" 1
306 1 33 VAL HA 1 34 TYR H . . 2.480 2.254 2.180 2.348 . 0 0 "[ . 1 . 2]" 1
307 1 33 VAL HA 1 34 TYR QD . . 3.490 3.154 2.899 3.501 0.011 3 0 "[ . 1 . 2]" 1
308 1 33 VAL QG 1 34 TYR H . . 2.620 2.288 2.099 2.579 . 0 0 "[ . 1 . 2]" 1
309 1 33 VAL QG 1 34 TYR HA . . 5.180 3.751 3.410 3.902 . 0 0 "[ . 1 . 2]" 1
310 1 33 VAL QG 1 34 TYR QE . . 5.440 5.033 4.860 5.273 . 0 0 "[ . 1 . 2]" 1
311 1 33 VAL QG 1 35 HIS H . . 5.050 4.754 4.531 4.830 . 0 0 "[ . 1 . 2]" 1
312 1 33 VAL QG 1 35 HIS HA . . 5.180 4.543 4.429 4.685 . 0 0 "[ . 1 . 2]" 1
313 1 34 TYR H 1 34 TYR HB2 . . 3.780 2.732 2.583 2.845 . 0 0 "[ . 1 . 2]" 1
314 1 34 TYR H 1 34 TYR QD . . 3.230 2.675 2.415 3.018 . 0 0 "[ . 1 . 2]" 1
315 1 34 TYR H 1 39 PHE QE . . 5.500 5.496 5.341 5.535 0.035 12 0 "[ . 1 . 2]" 1
316 1 34 TYR HA 1 34 TYR QD . . 3.700 3.103 2.860 3.206 . 0 0 "[ . 1 . 2]" 1
317 1 34 TYR HA 1 34 TYR QE . . 4.780 4.789 4.696 4.839 0.059 20 0 "[ . 1 . 2]" 1
318 1 34 TYR HA 1 38 CYS HB3 . . 5.500 5.027 4.289 5.504 0.004 13 0 "[ . 1 . 2]" 1
319 1 34 TYR HB2 1 35 HIS H . . 4.210 3.812 3.580 4.027 . 0 0 "[ . 1 . 2]" 1
320 1 34 TYR HB2 1 39 PHE QD . . 4.930 2.616 2.280 2.954 . 0 0 "[ . 1 . 2]" 1
321 1 34 TYR HB3 1 35 HIS H . . 3.700 2.768 2.535 2.999 . 0 0 "[ . 1 . 2]" 1
322 1 34 TYR QD 1 35 HIS H . . 4.400 4.098 3.884 4.234 . 0 0 "[ . 1 . 2]" 1
323 1 34 TYR QD 1 38 CYS HB3 . . 4.680 3.889 2.756 4.692 0.012 2 0 "[ . 1 . 2]" 1
324 1 35 HIS H 1 35 HIS QB . . 3.660 2.270 2.109 2.393 . 0 0 "[ . 1 . 2]" 1
325 1 35 HIS H 1 35 HIS HD2 . . 5.500 4.671 4.525 4.834 . 0 0 "[ . 1 . 2]" 1
326 1 35 HIS H 1 38 CYS H . . 5.240 4.177 3.895 4.297 . 0 0 "[ . 1 . 2]" 1
327 1 35 HIS H 1 38 CYS HB2 . . 3.480 2.487 2.107 2.693 . 0 0 "[ . 1 . 2]" 1
328 1 35 HIS H 1 38 CYS HB3 . . 5.280 3.850 3.464 4.091 . 0 0 "[ . 1 . 2]" 1
329 1 35 HIS HA 1 35 HIS HD2 . . 3.880 2.783 2.529 2.956 . 0 0 "[ . 1 . 2]" 1
330 1 35 HIS HA 1 36 LEU H . . 3.530 2.426 2.336 2.520 . 0 0 "[ . 1 . 2]" 1
331 1 35 HIS HA 1 37 GLU H . . 4.600 4.539 4.342 4.645 0.045 10 0 "[ . 1 . 2]" 1
332 1 35 HIS QB 1 35 HIS HD2 . . 3.470 2.967 2.892 3.043 . 0 0 "[ . 1 . 2]" 1
333 1 35 HIS QB 1 36 LEU H . . 4.040 2.493 2.182 2.719 . 0 0 "[ . 1 . 2]" 1
334 1 35 HIS QB 1 37 GLU H . . 3.520 2.748 2.491 2.875 . 0 0 "[ . 1 . 2]" 1
335 1 35 HIS QB 1 38 CYS H . . 3.040 2.446 2.162 2.696 . 0 0 "[ . 1 . 2]" 1
336 1 36 LEU H 1 36 LEU QB . . 3.440 2.545 2.121 2.675 . 0 0 "[ . 1 . 2]" 1
337 1 36 LEU H 1 36 LEU QD . . 3.800 2.746 1.669 3.398 . 0 0 "[ . 1 . 2]" 1
338 1 36 LEU H 1 36 LEU HG . . 3.210 2.387 2.074 3.224 0.014 15 0 "[ . 1 . 2]" 1
339 1 36 LEU H 1 37 GLU H . . 3.960 2.711 2.646 2.852 . 0 0 "[ . 1 . 2]" 1
340 1 36 LEU HA 1 36 LEU QD . . 3.710 3.311 2.277 3.465 . 0 0 "[ . 1 . 2]" 1
341 1 36 LEU HA 1 39 PHE QB . . 4.440 2.755 2.458 3.015 . 0 0 "[ . 1 . 2]" 1
342 1 36 LEU HA 1 39 PHE QD . . 4.780 4.560 4.271 4.793 0.013 11 0 "[ . 1 . 2]" 1
343 1 36 LEU QB 1 37 GLU H . . 3.530 3.200 2.354 3.388 . 0 0 "[ . 1 . 2]" 1
344 1 36 LEU HB2 1 37 GLU H . . 4.100 3.461 2.393 3.729 . 0 0 "[ . 1 . 2]" 1
345 1 36 LEU HB3 1 37 GLU H . . 4.100 3.799 2.910 3.976 . 0 0 "[ . 1 . 2]" 1
346 1 36 LEU QD 1 37 GLU QG . . 4.300 2.355 1.969 4.288 . 0 0 "[ . 1 . 2]" 1
347 1 36 LEU QD 1 39 PHE QB . . 5.280 4.655 3.624 5.057 . 0 0 "[ . 1 . 2]" 1
348 1 37 GLU H 1 37 GLU QB . . 3.070 2.377 2.331 2.550 . 0 0 "[ . 1 . 2]" 1
349 1 37 GLU H 1 37 GLU QG . . 3.550 2.388 2.126 2.477 . 0 0 "[ . 1 . 2]" 1
350 1 37 GLU H 1 38 CYS H . . 3.850 2.590 2.553 2.642 . 0 0 "[ . 1 . 2]" 1
351 1 37 GLU H 1 38 CYS HB2 . . 5.140 4.972 4.849 5.076 . 0 0 "[ . 1 . 2]" 1
352 1 37 GLU H 1 39 PHE H . . 4.100 4.020 3.940 4.125 0.025 15 0 "[ . 1 . 2]" 1
353 1 37 GLU QB 1 38 CYS H . . 3.730 2.866 2.730 2.994 . 0 0 "[ . 1 . 2]" 1
354 1 37 GLU HB2 1 38 CYS H . . 4.570 2.962 2.806 3.103 . 0 0 "[ . 1 . 2]" 1
355 1 37 GLU HB3 1 38 CYS H . . 4.570 3.822 3.674 4.085 . 0 0 "[ . 1 . 2]" 1
356 1 38 CYS H 1 38 CYS HB2 . . 3.940 2.599 2.509 2.700 . 0 0 "[ . 1 . 2]" 1
357 1 38 CYS H 1 38 CYS HB3 . . 4.180 3.637 3.617 3.667 . 0 0 "[ . 1 . 2]" 1
358 1 38 CYS H 1 39 PHE H . . 3.260 2.456 2.341 2.591 . 0 0 "[ . 1 . 2]" 1
359 1 38 CYS HB2 1 39 PHE H . . 4.860 3.518 3.352 3.719 . 0 0 "[ . 1 . 2]" 1
360 1 39 PHE H 1 39 PHE HB2 . . 3.600 2.597 2.455 3.003 . 0 0 "[ . 1 . 2]" 1
361 1 39 PHE H 1 39 PHE HB3 . . 3.600 2.713 2.632 2.873 . 0 0 "[ . 1 . 2]" 1
362 1 39 PHE H 1 40 LYS H . . 4.290 3.398 2.865 3.586 . 0 0 "[ . 1 . 2]" 1
363 1 39 PHE HA 1 39 PHE QD . . 3.250 2.733 2.599 2.945 . 0 0 "[ . 1 . 2]" 1
364 1 39 PHE HA 1 40 LYS H . . 2.950 2.553 2.475 2.649 . 0 0 "[ . 1 . 2]" 1
365 1 39 PHE HA 1 61 ILE MD . . 4.330 2.307 2.045 2.507 . 0 0 "[ . 1 . 2]" 1
366 1 39 PHE QB 1 40 LYS H . . 4.250 4.003 3.974 4.026 . 0 0 "[ . 1 . 2]" 1
367 1 39 PHE HB2 1 40 LYS H . . 4.840 4.638 4.625 4.652 . 0 0 "[ . 1 . 2]" 1
368 1 39 PHE HB3 1 40 LYS H . . 4.840 4.375 4.327 4.411 . 0 0 "[ . 1 . 2]" 1
369 1 39 PHE QD 1 48 PHE H . . 4.190 3.247 3.049 3.423 . 0 0 "[ . 1 . 2]" 1
370 1 39 PHE QD 1 48 PHE HB2 . . 3.890 2.015 1.863 2.099 . 0 0 "[ . 1 . 2]" 1
371 1 39 PHE QD 1 48 PHE QB . . 3.320 2.003 1.856 2.085 . 0 0 "[ . 1 . 2]" 1
372 1 39 PHE QD 1 48 PHE HB3 . . 3.890 3.513 3.419 3.658 . 0 0 "[ . 1 . 2]" 1
373 1 39 PHE QD 1 49 SER H . . 5.500 5.596 5.564 5.676 0.176 17 0 "[ . 1 . 2]" 1
374 1 39 PHE QD 1 61 ILE MD . . 3.130 2.582 2.069 3.063 . 0 0 "[ . 1 . 2]" 1
375 1 39 PHE QD 1 90 VAL QG . . 3.970 3.299 3.099 3.968 . 0 0 "[ . 1 . 2]" 1
376 1 39 PHE QE 1 48 PHE H . . 5.500 4.673 4.521 4.841 . 0 0 "[ . 1 . 2]" 1
377 1 39 PHE QE 1 48 PHE HA . . 5.330 4.849 4.664 5.074 . 0 0 "[ . 1 . 2]" 1
378 1 39 PHE QE 1 48 PHE QB . . 4.030 2.146 2.035 2.318 . 0 0 "[ . 1 . 2]" 1
379 1 39 PHE QE 1 48 PHE QD . . 3.530 3.513 3.167 3.585 0.055 14 0 "[ . 1 . 2]" 1
380 1 39 PHE QE 1 49 SER H . . 5.400 5.064 4.912 5.252 . 0 0 "[ . 1 . 2]" 1
381 1 39 PHE QE 1 54 TYR HB2 . . 4.950 4.442 4.196 4.738 . 0 0 "[ . 1 . 2]" 1
382 1 39 PHE QE 1 54 TYR HB3 . . 4.730 3.928 3.683 4.210 . 0 0 "[ . 1 . 2]" 1
383 1 39 PHE QE 1 61 ILE MD . . 3.740 2.983 2.718 3.551 . 0 0 "[ . 1 . 2]" 1
384 1 39 PHE QE 1 61 ILE MG . . 4.080 3.669 3.423 3.902 . 0 0 "[ . 1 . 2]" 1
385 1 39 PHE QE 1 90 VAL HB . . 5.470 4.360 4.096 5.525 0.055 17 0 "[ . 1 . 2]" 1
386 1 39 PHE QE 1 90 VAL MG1 . . 3.510 2.500 2.157 3.552 0.042 17 0 "[ . 1 . 2]" 1
387 1 39 PHE QE 1 90 VAL QG . . 3.000 2.014 1.919 2.584 . 0 0 "[ . 1 . 2]" 1
388 1 39 PHE QE 1 90 VAL MG2 . . 3.510 2.145 2.050 2.654 . 0 0 "[ . 1 . 2]" 1
389 1 39 PHE QE 1 91 GLY H . . 5.500 5.453 5.096 5.542 0.042 7 0 "[ . 1 . 2]" 1
390 1 39 PHE HZ 1 48 PHE QD . . 5.180 4.803 4.587 5.186 0.006 10 0 "[ . 1 . 2]" 1
391 1 39 PHE HZ 1 54 TYR QD . . 4.510 3.262 2.972 3.557 . 0 0 "[ . 1 . 2]" 1
392 1 39 PHE HZ 1 54 TYR QE . . 4.070 3.154 2.720 3.371 . 0 0 "[ . 1 . 2]" 1
393 1 39 PHE HZ 1 90 VAL H . . 5.500 5.139 4.775 5.512 0.012 12 0 "[ . 1 . 2]" 1
394 1 39 PHE HZ 1 90 VAL MG1 . . 4.310 2.956 2.373 4.319 0.009 12 0 "[ . 1 . 2]" 1
395 1 39 PHE HZ 1 90 VAL QG . . 3.670 2.422 2.091 3.345 . 0 0 "[ . 1 . 2]" 1
396 1 39 PHE HZ 1 90 VAL MG2 . . 4.310 2.602 2.315 3.484 . 0 0 "[ . 1 . 2]" 1
397 1 40 LYS H 1 40 LYS QB . . 3.430 2.887 2.527 3.117 . 0 0 "[ . 1 . 2]" 1
398 1 40 LYS H 1 40 LYS QE . . 5.340 4.527 3.721 5.146 . 0 0 "[ . 1 . 2]" 1
399 1 40 LYS H 1 40 LYS HG2 . . 3.970 2.999 2.249 3.997 0.027 4 0 "[ . 1 . 2]" 1
400 1 40 LYS H 1 40 LYS QG . . 3.320 2.447 1.977 3.004 . 0 0 "[ . 1 . 2]" 1
401 1 40 LYS H 1 40 LYS HG3 . . 3.970 2.903 1.986 3.105 . 0 0 "[ . 1 . 2]" 1
402 1 40 LYS H 1 61 ILE H . . 4.820 4.599 3.863 4.823 0.003 1 0 "[ . 1 . 2]" 1
403 1 40 LYS H 1 61 ILE MD . . 3.470 3.504 3.482 3.535 0.065 16 0 "[ . 1 . 2]" 1
404 1 40 LYS HA 1 41 CYS H . . 3.420 2.382 2.346 2.442 . 0 0 "[ . 1 . 2]" 1
405 1 40 LYS HA 1 48 PHE QD . . 3.370 2.473 2.322 2.902 . 0 0 "[ . 1 . 2]" 1
406 1 40 LYS HA 1 48 PHE QE . . 3.620 3.074 2.894 3.109 . 0 0 "[ . 1 . 2]" 1
407 1 40 LYS HA 1 48 PHE HZ . . 5.500 5.495 5.331 5.541 0.041 12 0 "[ . 1 . 2]" 1
408 1 40 LYS HB2 1 41 CYS H . . 3.970 2.893 2.360 3.734 . 0 0 "[ . 1 . 2]" 1
409 1 40 LYS HB3 1 41 CYS H . . 3.970 3.252 2.395 3.848 . 0 0 "[ . 1 . 2]" 1
410 1 41 CYS H 1 41 CYS HB2 . . 3.730 2.452 2.343 2.557 . 0 0 "[ . 1 . 2]" 1
411 1 41 CYS H 1 41 CYS HB3 . . 3.630 2.630 2.541 2.819 . 0 0 "[ . 1 . 2]" 1
412 1 41 CYS H 1 42 ALA H . . 5.030 4.634 4.621 4.640 . 0 0 "[ . 1 . 2]" 1
413 1 41 CYS H 1 45 GLN HA . . 4.770 3.477 2.983 4.096 . 0 0 "[ . 1 . 2]" 1
414 1 41 CYS H 1 46 LYS H . . 4.560 3.472 3.194 3.909 . 0 0 "[ . 1 . 2]" 1
415 1 41 CYS H 1 46 LYS QG . . 5.340 5.292 5.239 5.349 0.009 17 0 "[ . 1 . 2]" 1
416 1 41 CYS H 1 47 HIS HA . . 4.930 3.754 3.531 4.146 . 0 0 "[ . 1 . 2]" 1
417 1 41 CYS H 1 48 PHE QD . . 4.740 3.501 3.292 3.954 . 0 0 "[ . 1 . 2]" 1
418 1 41 CYS H 1 48 PHE QE . . 3.560 2.408 2.324 2.654 . 0 0 "[ . 1 . 2]" 1
419 1 41 CYS H 1 48 PHE HZ . . 4.850 4.626 4.527 4.759 . 0 0 "[ . 1 . 2]" 1
420 1 41 CYS H 1 63 CYS H . . 5.490 5.198 5.053 5.380 . 0 0 "[ . 1 . 2]" 1
421 1 41 CYS HA 1 42 ALA H . . 3.180 2.244 2.214 2.255 . 0 0 "[ . 1 . 2]" 1
422 1 41 CYS HA 1 43 ALA H . . 5.220 3.819 3.710 3.936 . 0 0 "[ . 1 . 2]" 1
423 1 41 CYS HA 1 45 GLN H . . 5.070 4.556 4.209 4.892 . 0 0 "[ . 1 . 2]" 1
424 1 41 CYS HA 1 48 PHE HZ . . 4.250 3.322 2.882 3.728 . 0 0 "[ . 1 . 2]" 1
425 1 41 CYS HA 1 63 CYS H . . 4.370 3.441 3.157 3.735 . 0 0 "[ . 1 . 2]" 1
426 1 41 CYS HB2 1 42 ALA H . . 4.520 4.060 3.997 4.233 . 0 0 "[ . 1 . 2]" 1
427 1 41 CYS HB2 1 44 CYS H . . 4.370 3.999 3.604 4.240 . 0 0 "[ . 1 . 2]" 1
428 1 41 CYS HB2 1 46 LYS H . . 3.320 3.290 2.928 3.366 0.046 8 0 "[ . 1 . 2]" 1
429 1 41 CYS HB2 1 48 PHE QD . . 4.760 4.351 4.211 4.634 . 0 0 "[ . 1 . 2]" 1
430 1 41 CYS HB2 1 48 PHE QE . . 5.420 2.417 2.297 2.658 . 0 0 "[ . 1 . 2]" 1
431 1 41 CYS HB2 1 48 PHE HZ . . 4.920 3.281 3.109 3.412 . 0 0 "[ . 1 . 2]" 1
432 1 41 CYS HB2 1 63 CYS H . . 4.460 3.042 2.829 3.329 . 0 0 "[ . 1 . 2]" 1
433 1 41 CYS HB3 1 42 ALA H . . 5.140 3.811 3.712 3.882 . 0 0 "[ . 1 . 2]" 1
434 1 41 CYS HB3 1 43 ALA H . . 5.110 3.358 3.185 3.539 . 0 0 "[ . 1 . 2]" 1
435 1 41 CYS HB3 1 44 CYS H . . 2.960 2.736 2.306 2.961 0.001 13 0 "[ . 1 . 2]" 1
436 1 41 CYS HB3 1 45 GLN H . . 3.040 2.265 1.857 2.531 . 0 0 "[ . 1 . 2]" 1
437 1 41 CYS HB3 1 46 LYS H . . 2.650 2.200 1.981 2.499 . 0 0 "[ . 1 . 2]" 1
438 1 42 ALA H 1 42 ALA MB . . 3.170 2.303 2.229 2.331 . 0 0 "[ . 1 . 2]" 1
439 1 42 ALA H 1 43 ALA H . . 3.660 2.369 2.274 2.489 . 0 0 "[ . 1 . 2]" 1
440 1 42 ALA H 1 43 ALA MB . . 4.190 3.978 3.880 4.141 . 0 0 "[ . 1 . 2]" 1
441 1 42 ALA H 1 44 CYS H . . 5.080 4.258 3.951 4.441 . 0 0 "[ . 1 . 2]" 1
442 1 42 ALA H 1 48 PHE QE . . 4.940 4.670 4.508 4.941 0.001 17 0 "[ . 1 . 2]" 1
443 1 42 ALA H 1 48 PHE HZ . . 5.500 4.941 4.447 5.507 0.007 3 0 "[ . 1 . 2]" 1
444 1 42 ALA H 1 61 ILE H . . 5.050 4.577 4.287 4.931 . 0 0 "[ . 1 . 2]" 1
445 1 42 ALA H 1 61 ILE MG . . 5.500 5.065 4.846 5.411 . 0 0 "[ . 1 . 2]" 1
446 1 42 ALA H 1 62 VAL HA . . 3.990 2.654 2.084 3.082 . 0 0 "[ . 1 . 2]" 1
447 1 42 ALA H 1 62 VAL MG1 . . 5.010 3.489 3.205 4.119 . 0 0 "[ . 1 . 2]" 1
448 1 42 ALA H 1 62 VAL QG . . 4.070 2.812 2.529 3.279 . 0 0 "[ . 1 . 2]" 1
449 1 42 ALA H 1 62 VAL MG2 . . 5.010 3.007 2.610 4.294 . 0 0 "[ . 1 . 2]" 1
450 1 42 ALA H 1 63 CYS H . . 4.940 4.105 3.711 4.452 . 0 0 "[ . 1 . 2]" 1
451 1 42 ALA HA 1 45 GLN HE21 . . 4.360 2.816 2.308 3.169 . 0 0 "[ . 1 . 2]" 1
452 1 42 ALA HA 1 45 GLN QE . . 3.810 2.749 2.240 3.098 . 0 0 "[ . 1 . 2]" 1
453 1 42 ALA HA 1 45 GLN HE22 . . 4.360 3.846 3.028 4.365 0.005 3 0 "[ . 1 . 2]" 1
454 1 42 ALA MB 1 45 GLN QE . . 5.340 4.024 3.659 4.255 . 0 0 "[ . 1 . 2]" 1
455 1 42 ALA MB 1 60 ASP H . . 4.620 3.687 3.057 4.484 . 0 0 "[ . 1 . 2]" 1
456 1 42 ALA MB 1 60 ASP QB . . 4.010 2.189 2.098 2.591 . 0 0 "[ . 1 . 2]" 1
457 1 42 ALA MB 1 61 ILE H . . 4.580 3.833 3.417 4.174 . 0 0 "[ . 1 . 2]" 1
458 1 42 ALA MB 1 62 VAL QG . . 3.800 2.394 2.143 2.758 . 0 0 "[ . 1 . 2]" 1
459 1 42 ALA MB 1 70 TRP HH2 . . 3.350 3.046 2.536 3.353 0.003 13 0 "[ . 1 . 2]" 1
460 1 42 ALA MB 1 70 TRP HZ2 . . 3.700 3.005 2.748 3.296 . 0 0 "[ . 1 . 2]" 1
461 1 42 ALA MB 1 70 TRP HZ3 . . 4.220 4.018 3.242 4.256 0.036 1 0 "[ . 1 . 2]" 1
462 1 43 ALA H 1 44 CYS H . . 3.360 2.249 2.058 2.365 . 0 0 "[ . 1 . 2]" 1
463 1 43 ALA H 1 44 CYS QB . . 5.340 4.766 4.433 4.898 . 0 0 "[ . 1 . 2]" 1
464 1 43 ALA H 1 45 GLN H . . 3.210 3.009 2.877 3.151 . 0 0 "[ . 1 . 2]" 1
465 1 43 ALA H 1 62 VAL HA . . 5.130 3.921 3.432 4.391 . 0 0 "[ . 1 . 2]" 1
466 1 43 ALA H 1 63 CYS H . . 5.420 4.543 4.094 4.963 . 0 0 "[ . 1 . 2]" 1
467 1 43 ALA H 1 70 TRP HE3 . . 5.140 4.959 4.650 5.141 0.001 18 0 "[ . 1 . 2]" 1
468 1 43 ALA HA 1 70 TRP HE3 . . 4.360 3.534 3.255 4.008 . 0 0 "[ . 1 . 2]" 1
469 1 43 ALA HA 1 70 TRP HZ3 . . 3.390 2.663 2.349 3.269 . 0 0 "[ . 1 . 2]" 1
470 1 43 ALA MB 1 44 CYS H . . 2.610 2.446 2.389 2.614 0.004 16 0 "[ . 1 . 2]" 1
471 1 43 ALA MB 1 45 GLN H . . 4.210 4.137 4.085 4.254 0.044 1 0 "[ . 1 . 2]" 1
472 1 43 ALA MB 1 62 VAL MG1 . . 5.500 2.704 2.408 4.086 . 0 0 "[ . 1 . 2]" 1
473 1 43 ALA MB 1 62 VAL QG . . 4.020 2.594 2.378 3.115 . 0 0 "[ . 1 . 2]" 1
474 1 43 ALA MB 1 62 VAL MG2 . . 5.500 3.641 3.230 3.833 . 0 0 "[ . 1 . 2]" 1
475 1 43 ALA MB 1 63 CYS H . . 4.770 4.448 4.039 4.821 0.051 3 0 "[ . 1 . 2]" 1
476 1 43 ALA MB 1 66 ASP H . . 5.110 4.509 4.277 4.705 . 0 0 "[ . 1 . 2]" 1
477 1 43 ALA MB 1 66 ASP HA . . 5.020 4.513 4.270 4.943 . 0 0 "[ . 1 . 2]" 1
478 1 43 ALA MB 1 66 ASP QB . . 4.930 2.349 2.090 2.881 . 0 0 "[ . 1 . 2]" 1
479 1 43 ALA MB 1 67 ILE H . . 5.500 5.488 5.403 5.650 0.150 1 0 "[ . 1 . 2]" 1
480 1 43 ALA MB 1 70 TRP HD1 . . 5.500 5.505 5.208 5.587 0.087 16 0 "[ . 1 . 2]" 1
481 1 43 ALA MB 1 70 TRP HE3 . . 3.440 2.248 2.183 2.340 . 0 0 "[ . 1 . 2]" 1
482 1 43 ALA MB 1 70 TRP HH2 . . 5.290 4.632 4.129 5.293 0.003 3 0 "[ . 1 . 2]" 1
483 1 43 ALA MB 1 70 TRP HZ3 . . 3.790 3.112 2.657 3.671 . 0 0 "[ . 1 . 2]" 1
484 1 44 CYS H 1 45 GLN H . . 2.450 2.131 1.991 2.247 . 0 0 "[ . 1 . 2]" 1
485 1 44 CYS H 1 45 GLN HA . . 4.440 4.335 4.221 4.445 0.005 1 0 "[ . 1 . 2]" 1
486 1 45 GLN H 1 45 GLN HA . . 2.640 2.259 2.256 2.264 . 0 0 "[ . 1 . 2]" 1
487 1 45 GLN H 1 45 GLN QB . . 3.250 3.301 3.277 3.326 0.076 16 0 "[ . 1 . 2]" 1
488 1 45 GLN H 1 45 GLN QE . . 4.040 2.824 2.222 3.424 . 0 0 "[ . 1 . 2]" 1
489 1 45 GLN H 1 45 GLN QG . . 3.840 3.137 2.856 3.503 . 0 0 "[ . 1 . 2]" 1
490 1 45 GLN H 1 46 LYS H . . 2.720 2.730 2.682 2.750 0.030 3 0 "[ . 1 . 2]" 1
491 1 45 GLN HA 1 46 LYS H . . 3.220 3.156 3.094 3.228 0.008 8 0 "[ . 1 . 2]" 1
492 1 46 LYS H 1 46 LYS HB2 . . 2.990 2.245 2.212 2.290 . 0 0 "[ . 1 . 2]" 1
493 1 46 LYS H 1 46 LYS QB . . 2.610 2.167 2.142 2.195 . 0 0 "[ . 1 . 2]" 1
494 1 46 LYS H 1 46 LYS HB3 . . 2.990 2.852 2.816 2.877 . 0 0 "[ . 1 . 2]" 1
495 1 46 LYS H 1 48 PHE QE . . 5.280 5.098 4.742 5.290 0.010 3 0 "[ . 1 . 2]" 1
496 1 46 LYS HA 1 47 HIS H . . 2.690 2.398 2.330 2.459 . 0 0 "[ . 1 . 2]" 1
497 1 46 LYS HA 1 47 HIS HD2 . . 4.310 3.438 3.266 3.590 . 0 0 "[ . 1 . 2]" 1
498 1 46 LYS HB2 1 47 HIS H . . 3.960 3.990 3.967 4.014 0.054 3 0 "[ . 1 . 2]" 1
499 1 46 LYS HB3 1 47 HIS H . . 3.960 3.285 3.183 3.419 . 0 0 "[ . 1 . 2]" 1
500 1 46 LYS QG 1 47 HIS H . . 3.720 1.941 1.870 1.971 . 0 0 "[ . 1 . 2]" 1
501 1 47 HIS H 1 47 HIS QB . . 2.960 2.615 2.355 2.949 . 0 0 "[ . 1 . 2]" 1
502 1 47 HIS H 1 47 HIS HD2 . . 4.290 2.644 2.343 2.925 . 0 0 "[ . 1 . 2]" 1
503 1 47 HIS HA 1 47 HIS HD2 . . 4.540 4.142 3.808 4.389 . 0 0 "[ . 1 . 2]" 1
504 1 47 HIS HA 1 48 PHE H . . 3.500 2.279 2.232 2.320 . 0 0 "[ . 1 . 2]" 1
505 1 47 HIS HA 1 48 PHE QD . . 4.060 2.869 2.799 2.997 . 0 0 "[ . 1 . 2]" 1
506 1 47 HIS HA 1 48 PHE QE . . 4.360 4.402 4.371 4.418 0.058 18 0 "[ . 1 . 2]" 1
507 1 47 HIS QB 1 48 PHE H . . 3.930 2.652 2.593 2.784 . 0 0 "[ . 1 . 2]" 1
508 1 47 HIS QB 1 48 PHE QD . . 4.710 4.370 4.271 4.455 . 0 0 "[ . 1 . 2]" 1
509 1 47 HIS HB2 1 48 PHE H . . 4.680 3.369 2.649 3.985 . 0 0 "[ . 1 . 2]" 1
510 1 47 HIS HB3 1 48 PHE H . . 4.680 3.196 2.634 3.887 . 0 0 "[ . 1 . 2]" 1
511 1 48 PHE H 1 48 PHE QB . . 3.510 2.407 2.358 2.463 . 0 0 "[ . 1 . 2]" 1
512 1 48 PHE H 1 48 PHE QD . . 3.520 2.349 2.217 2.511 . 0 0 "[ . 1 . 2]" 1
513 1 48 PHE H 1 49 SER H . . 5.300 4.499 4.410 4.544 . 0 0 "[ . 1 . 2]" 1
514 1 48 PHE HA 1 49 SER H . . 3.110 2.208 2.103 2.321 . 0 0 "[ . 1 . 2]" 1
515 1 48 PHE QB 1 49 SER H . . 3.310 2.788 2.528 3.084 . 0 0 "[ . 1 . 2]" 1
516 1 48 PHE QB 1 90 VAL QG . . 3.550 2.223 2.149 2.405 . 0 0 "[ . 1 . 2]" 1
517 1 48 PHE HB2 1 49 SER H . . 4.150 3.984 3.815 4.176 0.026 14 0 "[ . 1 . 2]" 1
518 1 48 PHE HB3 1 49 SER H . . 4.150 2.848 2.565 3.177 . 0 0 "[ . 1 . 2]" 1
519 1 48 PHE QD 1 49 SER H . . 4.360 4.066 3.911 4.223 . 0 0 "[ . 1 . 2]" 1
520 1 48 PHE QD 1 54 TYR HB2 . . 4.370 3.200 3.025 3.568 . 0 0 "[ . 1 . 2]" 1
521 1 48 PHE QD 1 61 ILE MG . . 4.380 3.498 3.357 3.629 . 0 0 "[ . 1 . 2]" 1
522 1 48 PHE QD 1 63 CYS H . . 5.500 5.568 5.550 5.614 0.114 17 0 "[ . 1 . 2]" 1
523 1 48 PHE QD 1 90 VAL H . . 5.500 5.548 5.514 5.584 0.084 12 0 "[ . 1 . 2]" 1
524 1 48 PHE QD 1 90 VAL QG . . 4.090 2.986 2.835 3.153 . 0 0 "[ . 1 . 2]" 1
525 1 48 PHE QE 1 54 TYR H . . 5.500 5.148 4.957 5.306 . 0 0 "[ . 1 . 2]" 1
526 1 48 PHE QE 1 54 TYR HB2 . . 5.500 2.554 2.363 2.916 . 0 0 "[ . 1 . 2]" 1
527 1 48 PHE QE 1 55 LEU H . . 4.160 3.478 3.149 3.844 . 0 0 "[ . 1 . 2]" 1
528 1 48 PHE QE 1 61 ILE MG . . 3.160 2.706 2.561 2.900 . 0 0 "[ . 1 . 2]" 1
529 1 48 PHE QE 1 62 VAL H . . 5.500 4.625 4.410 4.910 . 0 0 "[ . 1 . 2]" 1
530 1 48 PHE QE 1 62 VAL QG . . 5.440 4.701 4.549 4.899 . 0 0 "[ . 1 . 2]" 1
531 1 48 PHE QE 1 63 CYS H . . 4.290 3.629 3.582 3.699 . 0 0 "[ . 1 . 2]" 1
532 1 48 PHE QE 1 63 CYS QB . . 3.610 3.115 2.837 3.235 . 0 0 "[ . 1 . 2]" 1
533 1 48 PHE QE 1 64 GLU H . . 4.730 3.900 3.715 4.036 . 0 0 "[ . 1 . 2]" 1
534 1 48 PHE HZ 1 62 VAL H . . 4.710 3.967 3.732 4.390 . 0 0 "[ . 1 . 2]" 1
535 1 48 PHE HZ 1 63 CYS H . . 4.150 2.392 2.284 2.529 . 0 0 "[ . 1 . 2]" 1
536 1 48 PHE HZ 1 63 CYS QB . . 4.990 2.626 2.251 2.915 . 0 0 "[ . 1 . 2]" 1
537 1 48 PHE HZ 1 64 GLU H . . 5.210 4.801 4.656 5.100 . 0 0 "[ . 1 . 2]" 1
538 1 49 SER H 1 49 SER QB . . 3.580 2.652 2.517 3.017 . 0 0 "[ . 1 . 2]" 1
539 1 49 SER H 1 50 VAL H . . 4.960 4.491 4.478 4.504 . 0 0 "[ . 1 . 2]" 1
540 1 49 SER H 1 90 VAL MG1 . . 5.090 4.601 3.818 4.983 . 0 0 "[ . 1 . 2]" 1
541 1 49 SER H 1 90 VAL QG . . 4.380 3.446 2.988 3.608 . 0 0 "[ . 1 . 2]" 1
542 1 49 SER H 1 90 VAL MG2 . . 5.090 3.562 3.112 3.720 . 0 0 "[ . 1 . 2]" 1
543 1 49 SER HA 1 50 VAL H . . 3.080 2.379 2.292 2.506 . 0 0 "[ . 1 . 2]" 1
544 1 49 SER QB 1 50 VAL H . . 3.440 2.724 2.256 3.380 . 0 0 "[ . 1 . 2]" 1
545 1 49 SER HB2 1 50 VAL H . . 4.130 3.509 2.490 3.962 . 0 0 "[ . 1 . 2]" 1
546 1 49 SER HB3 1 50 VAL H . . 4.130 3.079 2.285 3.792 . 0 0 "[ . 1 . 2]" 1
547 1 50 VAL H 1 50 VAL HB . . 3.680 3.458 2.482 3.631 . 0 0 "[ . 1 . 2]" 1
548 1 50 VAL H 1 50 VAL QG . . 2.930 1.877 1.795 2.190 . 0 0 "[ . 1 . 2]" 1
549 1 50 VAL H 1 51 GLY H . . 5.040 4.604 4.534 4.644 . 0 0 "[ . 1 . 2]" 1
550 1 50 VAL HA 1 50 VAL MG1 . . 3.530 2.393 2.208 3.248 . 0 0 "[ . 1 . 2]" 1
551 1 50 VAL HA 1 50 VAL QG . . 2.870 2.215 2.171 2.301 . 0 0 "[ . 1 . 2]" 1
552 1 50 VAL HA 1 50 VAL MG2 . . 3.530 3.090 2.332 3.227 . 0 0 "[ . 1 . 2]" 1
553 1 50 VAL HA 1 51 GLY H . . 3.200 2.178 2.137 2.231 . 0 0 "[ . 1 . 2]" 1
554 1 50 VAL HA 1 51 GLY QA . . 4.900 3.953 3.923 3.985 . 0 0 "[ . 1 . 2]" 1
555 1 50 VAL HA 1 90 VAL H . . 5.030 4.374 3.881 4.839 . 0 0 "[ . 1 . 2]" 1
556 1 50 VAL HA 1 90 VAL HB . . 3.690 2.283 2.164 2.406 . 0 0 "[ . 1 . 2]" 1
557 1 50 VAL HA 1 90 VAL QG . . 3.190 2.947 1.993 3.205 0.015 10 0 "[ . 1 . 2]" 1
558 1 50 VAL HB 1 51 GLY H . . 4.280 3.248 2.854 4.286 0.006 3 0 "[ . 1 . 2]" 1
559 1 50 VAL QG 1 51 GLY H . . 4.040 3.264 2.377 3.517 . 0 0 "[ . 1 . 2]" 1
560 1 50 VAL QG 1 92 GLU HA . . 4.050 2.749 2.163 4.013 . 0 0 "[ . 1 . 2]" 1
561 1 50 VAL QG 1 93 PRO QD . . 3.810 2.788 1.957 3.875 0.065 17 0 "[ . 1 . 2]" 1
562 1 51 GLY H 1 52 ASP H . . 3.480 2.601 2.184 2.897 . 0 0 "[ . 1 . 2]" 1
563 1 51 GLY H 1 89 VAL QG . . 4.060 2.792 2.256 3.689 . 0 0 "[ . 1 . 2]" 1
564 1 51 GLY H 1 90 VAL H . . 4.880 3.854 3.553 4.346 . 0 0 "[ . 1 . 2]" 1
565 1 51 GLY H 1 90 VAL HB . . 3.860 3.196 2.216 3.790 . 0 0 "[ . 1 . 2]" 1
566 1 51 GLY H 1 90 VAL MG1 . . 5.330 4.551 3.335 5.189 . 0 0 "[ . 1 . 2]" 1
567 1 51 GLY H 1 90 VAL QG . . 4.230 3.736 3.073 4.046 . 0 0 "[ . 1 . 2]" 1
568 1 51 GLY H 1 90 VAL MG2 . . 5.330 4.013 3.598 4.290 . 0 0 "[ . 1 . 2]" 1
569 1 51 GLY QA 1 89 VAL QG . . 3.530 2.888 2.492 3.548 0.018 17 0 "[ . 1 . 2]" 1
570 1 52 ASP H 1 53 ARG H . . 4.830 4.561 4.477 4.587 . 0 0 "[ . 1 . 2]" 1
571 1 52 ASP H 1 90 VAL H . . 4.670 4.120 3.211 4.676 0.006 9 0 "[ . 1 . 2]" 1
572 1 52 ASP HA 1 53 ARG H . . 3.120 2.277 2.245 2.308 . 0 0 "[ . 1 . 2]" 1
573 1 52 ASP QB 1 53 ARG H . . 4.120 2.757 2.623 3.371 . 0 0 "[ . 1 . 2]" 1
574 1 52 ASP QB 1 90 VAL H . . 5.340 4.721 4.242 5.068 . 0 0 "[ . 1 . 2]" 1
575 1 53 ARG H 1 53 ARG QD . . 4.610 4.141 4.007 4.364 . 0 0 "[ . 1 . 2]" 1
576 1 53 ARG H 1 53 ARG HG2 . . 3.540 3.375 1.987 3.577 0.037 7 0 "[ . 1 . 2]" 1
577 1 53 ARG H 1 53 ARG QG . . 2.950 2.501 1.958 2.754 . 0 0 "[ . 1 . 2]" 1
578 1 53 ARG H 1 53 ARG HG3 . . 3.540 2.696 2.491 3.574 0.034 17 0 "[ . 1 . 2]" 1
579 1 53 ARG H 1 87 VAL QG . . 5.440 4.921 4.777 5.293 . 0 0 "[ . 1 . 2]" 1
580 1 53 ARG H 1 89 VAL QG . . 5.440 3.639 3.371 3.938 . 0 0 "[ . 1 . 2]" 1
581 1 53 ARG HA 1 53 ARG QD . . 4.210 3.870 2.589 4.357 0.147 19 0 "[ . 1 . 2]" 1
582 1 53 ARG HA 1 54 TYR H . . 3.170 2.203 2.161 2.246 . 0 0 "[ . 1 . 2]" 1
583 1 53 ARG HA 1 54 TYR QD . . 3.730 3.487 3.381 3.728 . 0 0 "[ . 1 . 2]" 1
584 1 53 ARG HA 1 54 TYR QE . . 5.250 5.158 4.958 5.268 0.018 17 0 "[ . 1 . 2]" 1
585 1 53 ARG HA 1 89 VAL HA . . 3.480 2.259 2.111 2.311 . 0 0 "[ . 1 . 2]" 1
586 1 53 ARG HA 1 89 VAL QG . . 3.570 2.650 2.263 3.152 . 0 0 "[ . 1 . 2]" 1
587 1 53 ARG HA 1 90 VAL H . . 4.340 3.665 3.222 3.937 . 0 0 "[ . 1 . 2]" 1
588 1 53 ARG QB 1 53 ARG HE . . 4.790 3.835 2.610 4.012 . 0 0 "[ . 1 . 2]" 1
589 1 53 ARG QB 1 54 TYR H . . 3.260 2.961 2.825 3.167 . 0 0 "[ . 1 . 2]" 1
590 1 53 ARG HE 1 89 VAL QG . . 4.530 3.439 2.674 4.533 0.003 15 0 "[ . 1 . 2]" 1
591 1 54 TYR H 1 54 TYR HB2 . . 4.160 3.854 3.823 3.898 . 0 0 "[ . 1 . 2]" 1
592 1 54 TYR H 1 54 TYR QD . . 3.250 2.504 2.362 2.720 . 0 0 "[ . 1 . 2]" 1
593 1 54 TYR H 1 54 TYR QE . . 4.340 4.234 4.168 4.313 . 0 0 "[ . 1 . 2]" 1
594 1 54 TYR H 1 87 VAL HA . . 5.500 5.312 4.897 5.506 0.006 16 0 "[ . 1 . 2]" 1
595 1 54 TYR H 1 87 VAL QG . . 3.390 2.848 2.630 2.987 . 0 0 "[ . 1 . 2]" 1
596 1 54 TYR H 1 88 MET QB . . 4.680 4.526 4.047 4.707 0.027 18 0 "[ . 1 . 2]" 1
597 1 54 TYR H 1 89 VAL HA . . 4.030 3.072 2.876 3.219 . 0 0 "[ . 1 . 2]" 1
598 1 54 TYR H 1 90 VAL H . . 5.250 4.258 3.958 4.645 . 0 0 "[ . 1 . 2]" 1
599 1 54 TYR HA 1 54 TYR QD . . 3.910 3.768 3.765 3.776 . 0 0 "[ . 1 . 2]" 1
600 1 54 TYR HA 1 55 LEU H . . 3.510 2.308 2.274 2.376 . 0 0 "[ . 1 . 2]" 1
601 1 54 TYR HA 1 62 VAL H . . 5.500 5.477 5.301 5.556 0.056 3 0 "[ . 1 . 2]" 1
602 1 54 TYR HA 1 87 VAL QG . . 4.200 3.798 3.590 3.989 . 0 0 "[ . 1 . 2]" 1
603 1 54 TYR HB2 1 55 LEU H . . 3.350 2.651 2.486 2.730 . 0 0 "[ . 1 . 2]" 1
604 1 54 TYR HB2 1 61 ILE MG . . 4.190 2.040 1.914 2.107 . 0 0 "[ . 1 . 2]" 1
605 1 54 TYR QD 1 55 LEU H . . 3.840 3.417 3.149 3.472 . 0 0 "[ . 1 . 2]" 1
606 1 54 TYR QD 1 55 LEU HA . . 4.400 4.045 3.893 4.162 . 0 0 "[ . 1 . 2]" 1
607 1 54 TYR QD 1 56 LEU H . . 4.320 4.112 3.921 4.252 . 0 0 "[ . 1 . 2]" 1
608 1 54 TYR QD 1 56 LEU HA . . 5.080 3.708 3.655 3.747 . 0 0 "[ . 1 . 2]" 1
609 1 54 TYR QD 1 56 LEU QB . . 4.190 3.689 3.536 3.814 . 0 0 "[ . 1 . 2]" 1
610 1 54 TYR QD 1 57 ILE H . . 5.500 5.547 5.509 5.630 0.130 16 0 "[ . 1 . 2]" 1
611 1 54 TYR QD 1 61 ILE HA . . 4.240 4.111 3.805 4.270 0.030 3 0 "[ . 1 . 2]" 1
612 1 54 TYR QD 1 61 ILE HB . . 4.320 4.360 4.342 4.387 0.067 17 0 "[ . 1 . 2]" 1
613 1 54 TYR QD 1 61 ILE MD . . 4.240 4.216 3.853 4.283 0.043 12 0 "[ . 1 . 2]" 1
614 1 54 TYR QD 1 61 ILE MG . . 3.010 1.959 1.918 2.010 . 0 0 "[ . 1 . 2]" 1
615 1 54 TYR QD 1 62 VAL H . . 5.240 4.535 4.276 4.740 . 0 0 "[ . 1 . 2]" 1
616 1 54 TYR QD 1 88 MET H . . 5.500 4.757 4.537 4.915 . 0 0 "[ . 1 . 2]" 1
617 1 54 TYR QD 1 88 MET QB . . 5.010 4.212 3.582 4.508 . 0 0 "[ . 1 . 2]" 1
618 1 54 TYR QD 1 89 VAL HA . . 4.150 2.924 2.748 3.280 . 0 0 "[ . 1 . 2]" 1
619 1 54 TYR QD 1 89 VAL HB . . 5.500 5.367 5.172 5.519 0.019 17 0 "[ . 1 . 2]" 1
620 1 54 TYR QD 1 90 VAL H . . 4.180 2.715 2.512 3.020 . 0 0 "[ . 1 . 2]" 1
621 1 54 TYR QD 1 90 VAL HA . . 4.130 3.383 3.133 3.628 . 0 0 "[ . 1 . 2]" 1
622 1 54 TYR QD 1 90 VAL QG . . 2.940 2.178 2.016 2.391 . 0 0 "[ . 1 . 2]" 1
623 1 54 TYR QD 1 91 GLY H . . 5.500 5.289 4.983 5.503 0.003 15 0 "[ . 1 . 2]" 1
624 1 54 TYR QE 1 55 LEU H . . 5.500 5.507 5.311 5.532 0.032 5 0 "[ . 1 . 2]" 1
625 1 54 TYR QE 1 55 LEU HA . . 5.500 5.188 5.084 5.300 . 0 0 "[ . 1 . 2]" 1
626 1 54 TYR QE 1 56 LEU H . . 4.670 4.556 4.372 4.683 0.013 16 0 "[ . 1 . 2]" 1
627 1 54 TYR QE 1 56 LEU HA . . 4.850 4.181 3.996 4.339 . 0 0 "[ . 1 . 2]" 1
628 1 54 TYR QE 1 56 LEU HB2 . . 4.690 2.924 2.658 2.999 . 0 0 "[ . 1 . 2]" 1
629 1 54 TYR QE 1 56 LEU QB . . 3.820 2.894 2.636 2.967 . 0 0 "[ . 1 . 2]" 1
630 1 54 TYR QE 1 56 LEU HB3 . . 4.690 4.625 4.361 4.711 0.021 3 0 "[ . 1 . 2]" 1
631 1 54 TYR QE 1 56 LEU QD . . 5.350 2.408 2.268 2.572 . 0 0 "[ . 1 . 2]" 1
632 1 54 TYR QE 1 61 ILE MD . . 4.180 4.176 3.986 4.222 0.042 16 0 "[ . 1 . 2]" 1
633 1 54 TYR QE 1 61 ILE MG . . 4.020 3.652 3.560 3.735 . 0 0 "[ . 1 . 2]" 1
634 1 54 TYR QE 1 88 MET H . . 5.500 4.844 4.648 5.052 . 0 0 "[ . 1 . 2]" 1
635 1 54 TYR QE 1 88 MET HB2 . . 4.340 3.638 3.112 4.001 . 0 0 "[ . 1 . 2]" 1
636 1 54 TYR QE 1 88 MET HB3 . . 4.340 3.525 3.004 3.836 . 0 0 "[ . 1 . 2]" 1
637 1 54 TYR QE 1 89 VAL H . . 5.220 4.173 3.850 4.529 . 0 0 "[ . 1 . 2]" 1
638 1 54 TYR QE 1 90 VAL H . . 4.230 3.412 3.184 3.669 . 0 0 "[ . 1 . 2]" 1
639 1 54 TYR QE 1 90 VAL HA . . 3.340 2.342 2.058 2.510 . 0 0 "[ . 1 . 2]" 1
640 1 54 TYR QE 1 90 VAL QG . . 3.180 3.053 2.891 3.237 0.057 12 0 "[ . 1 . 2]" 1
641 1 54 TYR QE 1 91 GLY H . . 4.000 3.605 3.078 3.802 . 0 0 "[ . 1 . 2]" 1
642 1 54 TYR QE 1 91 GLY QA . . 5.340 5.132 4.650 5.343 0.003 9 0 "[ . 1 . 2]" 1
643 1 55 LEU H 1 55 LEU HB2 . . 4.110 2.909 2.854 3.021 . 0 0 "[ . 1 . 2]" 1
644 1 55 LEU H 1 55 LEU QB . . 3.520 2.448 2.370 2.498 . 0 0 "[ . 1 . 2]" 1
645 1 55 LEU H 1 55 LEU HB3 . . 4.110 2.637 2.477 2.706 . 0 0 "[ . 1 . 2]" 1
646 1 55 LEU H 1 55 LEU MD2 . . 4.200 4.213 4.147 4.259 0.059 13 0 "[ . 1 . 2]" 1
647 1 55 LEU H 1 56 LEU H . . 5.190 4.366 4.268 4.424 . 0 0 "[ . 1 . 2]" 1
648 1 55 LEU H 1 61 ILE QG . . 5.340 5.012 4.732 5.118 . 0 0 "[ . 1 . 2]" 1
649 1 55 LEU H 1 61 ILE MG . . 4.500 2.743 2.414 2.826 . 0 0 "[ . 1 . 2]" 1
650 1 55 LEU H 1 62 VAL H . . 3.910 3.482 3.302 3.578 . 0 0 "[ . 1 . 2]" 1
651 1 55 LEU H 1 62 VAL QG . . 5.440 4.731 3.720 4.918 . 0 0 "[ . 1 . 2]" 1
652 1 55 LEU H 1 64 GLU H . . 5.260 5.232 4.709 5.294 0.034 5 0 "[ . 1 . 2]" 1
653 1 55 LEU H 1 87 VAL QG . . 4.680 4.061 3.871 4.279 . 0 0 "[ . 1 . 2]" 1
654 1 55 LEU HA 1 55 LEU MD1 . . 4.370 3.081 2.436 3.436 . 0 0 "[ . 1 . 2]" 1
655 1 55 LEU HA 1 56 LEU H . . 3.170 2.152 2.135 2.169 . 0 0 "[ . 1 . 2]" 1
656 1 55 LEU HA 1 87 VAL QG . . 3.210 2.982 2.828 3.115 . 0 0 "[ . 1 . 2]" 1
657 1 55 LEU MD2 1 56 LEU H . . 4.160 3.651 3.166 4.240 0.080 16 0 "[ . 1 . 2]" 1
658 1 55 LEU MD2 1 62 VAL H . . 3.690 3.686 3.271 3.728 0.038 17 0 "[ . 1 . 2]" 1
659 1 55 LEU MD2 1 62 VAL HB . . 3.280 3.053 2.645 3.591 0.311 16 0 "[ . 1 . 2]" 1
660 1 55 LEU HG 1 56 LEU H . . 3.380 2.713 2.534 2.973 . 0 0 "[ . 1 . 2]" 1
661 1 56 LEU H 1 56 LEU HB2 . . 2.820 2.507 2.433 2.742 . 0 0 "[ . 1 . 2]" 1
662 1 56 LEU H 1 56 LEU HB3 . . 2.820 2.729 2.692 2.759 . 0 0 "[ . 1 . 2]" 1
663 1 56 LEU H 1 57 ILE H . . 4.950 4.315 4.182 4.385 . 0 0 "[ . 1 . 2]" 1
664 1 56 LEU HA 1 56 LEU QD . . 3.450 2.930 2.325 2.987 . 0 0 "[ . 1 . 2]" 1
665 1 56 LEU HA 1 56 LEU HG . . 3.780 2.340 2.312 2.689 . 0 0 "[ . 1 . 2]" 1
666 1 56 LEU HA 1 57 ILE H . . 2.990 2.132 2.106 2.154 . 0 0 "[ . 1 . 2]" 1
667 1 56 LEU HA 1 61 ILE MD . . 4.680 4.401 3.814 4.673 . 0 0 "[ . 1 . 2]" 1
668 1 56 LEU HA 1 62 VAL H . . 4.040 3.793 3.456 4.047 0.007 16 0 "[ . 1 . 2]" 1
669 1 56 LEU QB 1 57 ILE H . . 4.390 3.875 3.836 3.918 . 0 0 "[ . 1 . 2]" 1
670 1 56 LEU QD 1 57 ILE H . . 3.470 3.245 3.128 3.476 0.006 15 0 "[ . 1 . 2]" 1
671 1 56 LEU HG 1 57 ILE H . . 5.050 3.461 3.187 3.615 . 0 0 "[ . 1 . 2]" 1
672 1 57 ILE H 1 57 ILE HB . . 3.590 2.461 2.416 2.787 . 0 0 "[ . 1 . 2]" 1
673 1 57 ILE H 1 57 ILE HG12 . . 4.860 4.816 4.785 4.925 0.065 16 0 "[ . 1 . 2]" 1
674 1 57 ILE H 1 57 ILE QG . . 4.180 4.141 4.119 4.205 0.025 16 0 "[ . 1 . 2]" 1
675 1 57 ILE H 1 57 ILE HG13 . . 4.860 4.514 4.493 4.562 . 0 0 "[ . 1 . 2]" 1
676 1 57 ILE H 1 57 ILE MG . . 3.310 2.650 2.434 2.706 . 0 0 "[ . 1 . 2]" 1
677 1 57 ILE H 1 60 ASP H . . 4.850 4.512 4.330 4.980 0.130 16 0 "[ . 1 . 2]" 1
678 1 57 ILE H 1 60 ASP QB . . 5.340 5.111 4.825 5.404 0.064 16 0 "[ . 1 . 2]" 1
679 1 57 ILE H 1 61 ILE HA . . 4.430 2.647 2.360 3.167 . 0 0 "[ . 1 . 2]" 1
680 1 57 ILE H 1 61 ILE MD . . 5.370 4.966 4.278 5.376 0.006 15 0 "[ . 1 . 2]" 1
681 1 57 ILE H 1 62 VAL QG . . 4.530 3.462 3.209 3.672 . 0 0 "[ . 1 . 2]" 1
682 1 57 ILE HA 1 57 ILE MD . . 4.230 2.357 2.321 2.447 . 0 0 "[ . 1 . 2]" 1
683 1 57 ILE HA 1 57 ILE QG . . 3.610 2.310 2.293 2.353 . 0 0 "[ . 1 . 2]" 1
684 1 57 ILE HA 1 58 ASN H . . 3.280 2.570 2.551 2.603 . 0 0 "[ . 1 . 2]" 1
685 1 57 ILE HA 1 70 TRP HD1 . . 5.500 5.540 5.520 5.611 0.111 3 0 "[ . 1 . 2]" 1
686 1 57 ILE HB 1 62 VAL QG . . 4.510 2.191 2.051 2.545 . 0 0 "[ . 1 . 2]" 1
687 1 57 ILE HB 1 70 TRP HD1 . . 4.510 4.029 3.422 4.307 . 0 0 "[ . 1 . 2]" 1
688 1 57 ILE MD 1 58 ASN HD22 . . 4.460 3.846 3.361 3.939 . 0 0 "[ . 1 . 2]" 1
689 1 57 ILE MD 1 62 VAL QG . . 4.210 2.446 2.206 3.247 . 0 0 "[ . 1 . 2]" 1
690 1 57 ILE MD 1 70 TRP HD1 . . 4.760 2.128 2.057 2.303 . 0 0 "[ . 1 . 2]" 1
691 1 57 ILE MD 1 71 THR HA . . 4.620 3.138 2.734 4.182 . 0 0 "[ . 1 . 2]" 1
692 1 57 ILE MD 1 71 THR HB . . 4.720 4.278 3.896 4.554 . 0 0 "[ . 1 . 2]" 1
693 1 57 ILE MD 1 71 THR MG . . 3.680 2.254 2.109 2.467 . 0 0 "[ . 1 . 2]" 1
694 1 57 ILE QG 1 58 ASN H . . 3.840 1.748 1.604 1.784 . 0 0 "[ . 1 . 2]" 1
695 1 57 ILE QG 1 58 ASN HD22 . . 4.470 2.934 2.672 2.994 . 0 0 "[ . 1 . 2]" 1
696 1 57 ILE HG12 1 58 ASN H . . 4.450 3.079 3.001 3.122 . 0 0 "[ . 1 . 2]" 1
697 1 57 ILE HG13 1 58 ASN H . . 4.450 1.758 1.610 1.795 . 0 0 "[ . 1 . 2]" 1
698 1 57 ILE MG 1 58 ASN H . . 3.770 2.419 2.368 2.732 . 0 0 "[ . 1 . 2]" 1
699 1 57 ILE MG 1 58 ASN HD21 . . 3.800 3.149 3.133 3.232 . 0 0 "[ . 1 . 2]" 1
700 1 57 ILE MG 1 58 ASN HD22 . . 4.530 4.574 4.567 4.592 0.062 16 0 "[ . 1 . 2]" 1
701 1 57 ILE MG 1 60 ASP H . . 3.980 2.138 1.798 3.825 . 0 0 "[ . 1 . 2]" 1
702 1 58 ASN H 1 58 ASN HB2 . . 4.030 2.659 2.633 2.810 . 0 0 "[ . 1 . 2]" 1
703 1 58 ASN H 1 58 ASN HB3 . . 4.140 3.585 3.571 3.595 . 0 0 "[ . 1 . 2]" 1
704 1 58 ASN H 1 58 ASN HD21 . . 5.500 1.912 1.893 1.955 . 0 0 "[ . 1 . 2]" 1
705 1 58 ASN H 1 59 SER H . . 3.940 2.949 2.771 2.975 . 0 0 "[ . 1 . 2]" 1
706 1 58 ASN HA 1 58 ASN HB3 . . 2.860 2.438 2.378 2.448 . 0 0 "[ . 1 . 2]" 1
707 1 58 ASN HA 1 58 ASN HD21 . . 4.330 3.857 3.838 3.938 . 0 0 "[ . 1 . 2]" 1
708 1 58 ASN HB2 1 58 ASN HD21 . . 3.230 2.263 2.253 2.285 . 0 0 "[ . 1 . 2]" 1
709 1 58 ASN HB2 1 58 ASN HD22 . . 3.600 3.488 3.482 3.495 . 0 0 "[ . 1 . 2]" 1
710 1 58 ASN HB2 1 59 SER H . . 2.940 2.767 2.604 2.806 . 0 0 "[ . 1 . 2]" 1
711 1 58 ASN HB3 1 59 SER H . . 3.810 3.833 3.819 3.851 0.041 16 0 "[ . 1 . 2]" 1
712 1 58 ASN HD21 1 59 SER H . . 4.520 3.858 3.305 3.934 . 0 0 "[ . 1 . 2]" 1
713 1 59 SER H 1 59 SER QB . . 3.570 2.593 2.432 3.007 . 0 0 "[ . 1 . 2]" 1
714 1 60 ASP H 1 60 ASP HB2 . . 3.830 2.529 2.467 2.859 . 0 0 "[ . 1 . 2]" 1
715 1 60 ASP H 1 60 ASP QB . . 3.240 2.489 2.431 2.779 . 0 0 "[ . 1 . 2]" 1
716 1 60 ASP H 1 60 ASP HB3 . . 3.830 3.706 3.671 3.784 . 0 0 "[ . 1 . 2]" 1
717 1 60 ASP QB 1 61 ILE H . . 4.220 1.786 1.667 2.430 . 0 0 "[ . 1 . 2]" 1
718 1 60 ASP QB 1 62 VAL QG . . 4.330 4.039 3.779 4.391 0.061 16 0 "[ . 1 . 2]" 1
719 1 61 ILE H 1 61 ILE HB . . 3.170 2.575 2.497 2.656 . 0 0 "[ . 1 . 2]" 1
720 1 61 ILE H 1 61 ILE MD . . 4.400 2.199 1.918 2.888 . 0 0 "[ . 1 . 2]" 1
721 1 61 ILE H 1 61 ILE QG . . 4.030 3.138 2.768 3.570 . 0 0 "[ . 1 . 2]" 1
722 1 61 ILE H 1 61 ILE MG . . 4.250 3.835 3.784 3.870 . 0 0 "[ . 1 . 2]" 1
723 1 61 ILE H 1 62 VAL QG . . 4.760 4.382 4.072 4.622 . 0 0 "[ . 1 . 2]" 1
724 1 61 ILE HA 1 61 ILE MD . . 4.110 3.468 3.273 3.854 . 0 0 "[ . 1 . 2]" 1
725 1 61 ILE HA 1 62 VAL H . . 2.920 2.215 2.167 2.241 . 0 0 "[ . 1 . 2]" 1
726 1 61 ILE HA 1 62 VAL QG . . 5.440 3.314 3.113 3.523 . 0 0 "[ . 1 . 2]" 1
727 1 61 ILE MD 1 62 VAL H . . 5.310 5.032 4.943 5.157 . 0 0 "[ . 1 . 2]" 1
728 1 61 ILE MG 1 62 VAL H . . 3.380 2.388 2.280 2.578 . 0 0 "[ . 1 . 2]" 1
729 1 61 ILE MG 1 63 CYS H . . 5.400 4.116 3.880 4.291 . 0 0 "[ . 1 . 2]" 1
730 1 62 VAL H 1 62 VAL HB . . 3.290 2.831 2.624 3.564 0.274 16 0 "[ . 1 . 2]" 1
731 1 62 VAL H 1 62 VAL QG . . 3.320 2.496 1.807 2.754 . 0 0 "[ . 1 . 2]" 1
732 1 62 VAL H 1 63 CYS H . . 5.150 4.327 4.243 4.391 . 0 0 "[ . 1 . 2]" 1
733 1 62 VAL HA 1 62 VAL MG1 . . 3.670 2.381 2.294 2.948 . 0 0 "[ . 1 . 2]" 1
734 1 62 VAL HA 1 62 VAL MG2 . . 3.670 2.563 2.412 3.002 . 0 0 "[ . 1 . 2]" 1
735 1 62 VAL HA 1 63 CYS H . . 3.160 2.150 2.138 2.174 . 0 0 "[ . 1 . 2]" 1
736 1 62 VAL HB 1 63 CYS H . . 4.540 4.111 3.555 4.394 . 0 0 "[ . 1 . 2]" 1
737 1 62 VAL QG 1 63 CYS H . . 3.390 2.754 2.628 3.004 . 0 0 "[ . 1 . 2]" 1
738 1 62 VAL QG 1 66 ASP H . . 4.300 3.524 3.390 3.727 . 0 0 "[ . 1 . 2]" 1
739 1 62 VAL QG 1 66 ASP HA . . 4.610 4.426 4.175 4.689 0.079 3 0 "[ . 1 . 2]" 1
740 1 62 VAL QG 1 66 ASP QB . . 4.530 2.779 2.161 3.833 . 0 0 "[ . 1 . 2]" 1
741 1 62 VAL QG 1 67 ILE H . . 3.760 3.372 3.217 3.524 . 0 0 "[ . 1 . 2]" 1
742 1 62 VAL QG 1 70 TRP H . . 4.180 3.894 3.788 4.151 . 0 0 "[ . 1 . 2]" 1
743 1 62 VAL QG 1 70 TRP HB2 . . 4.420 2.527 2.334 2.926 . 0 0 "[ . 1 . 2]" 1
744 1 62 VAL QG 1 70 TRP HB3 . . 4.570 2.281 2.203 2.502 . 0 0 "[ . 1 . 2]" 1
745 1 62 VAL QG 1 70 TRP HD1 . . 3.860 2.521 2.390 2.845 . 0 0 "[ . 1 . 2]" 1
746 1 62 VAL QG 1 70 TRP HE3 . . 4.310 3.714 3.542 3.985 . 0 0 "[ . 1 . 2]" 1
747 1 62 VAL QG 1 70 TRP HH2 . . 4.940 4.816 4.728 4.970 0.030 16 0 "[ . 1 . 2]" 1
748 1 62 VAL QG 1 70 TRP HZ2 . . 4.300 3.970 3.896 4.123 . 0 0 "[ . 1 . 2]" 1
749 1 62 VAL QG 1 70 TRP HZ3 . . 4.970 4.710 4.580 5.005 0.035 16 0 "[ . 1 . 2]" 1
750 1 62 VAL QG 1 71 THR H . . 5.210 4.125 3.990 4.288 . 0 0 "[ . 1 . 2]" 1
751 1 62 VAL MG1 1 63 CYS H . . 4.310 2.860 2.656 4.401 0.091 16 0 "[ . 1 . 2]" 1
752 1 62 VAL MG2 1 63 CYS H . . 4.310 4.136 3.058 4.247 . 0 0 "[ . 1 . 2]" 1
753 1 63 CYS H 1 63 CYS QB . . 3.540 2.318 2.277 2.349 . 0 0 "[ . 1 . 2]" 1
754 1 63 CYS H 1 64 GLU H . . 4.780 4.647 4.631 4.655 . 0 0 "[ . 1 . 2]" 1
755 1 63 CYS H 1 65 GLN H . . 5.500 4.932 4.847 4.989 . 0 0 "[ . 1 . 2]" 1
756 1 63 CYS H 1 66 ASP H . . 4.640 4.414 4.233 4.648 0.008 17 0 "[ . 1 . 2]" 1
757 1 63 CYS HA 1 64 GLU H . . 3.570 2.336 2.273 2.368 . 0 0 "[ . 1 . 2]" 1
758 1 63 CYS HA 1 65 GLN H . . 3.980 4.044 4.012 4.080 0.100 1 0 "[ . 1 . 2]" 1
759 1 63 CYS QB 1 65 GLN H . . 4.710 2.946 2.861 3.126 . 0 0 "[ . 1 . 2]" 1
760 1 64 GLU H 1 64 GLU QB . . 3.070 2.280 2.072 2.356 . 0 0 "[ . 1 . 2]" 1
761 1 64 GLU H 1 64 GLU QG . . 4.500 2.755 2.368 3.831 . 0 0 "[ . 1 . 2]" 1
762 1 64 GLU H 1 65 GLN H . . 3.860 2.713 2.639 2.800 . 0 0 "[ . 1 . 2]" 1
763 1 64 GLU H 1 67 ILE MD . . 5.500 5.543 5.504 5.568 0.068 3 0 "[ . 1 . 2]" 1
764 1 64 GLU HA 1 64 GLU QG . . 3.340 2.331 2.239 2.357 . 0 0 "[ . 1 . 2]" 1
765 1 64 GLU HA 1 67 ILE H . . 3.920 3.277 3.188 3.433 . 0 0 "[ . 1 . 2]" 1
766 1 64 GLU HA 1 67 ILE MD . . 3.440 3.430 3.388 3.451 0.011 3 0 "[ . 1 . 2]" 1
767 1 64 GLU QB 1 65 GLN H . . 4.460 3.043 2.965 3.110 . 0 0 "[ . 1 . 2]" 1
768 1 64 GLU QG 1 67 ILE H . . 5.340 5.118 4.642 5.347 0.007 17 0 "[ . 1 . 2]" 1
769 1 64 GLU QG 1 67 ILE MD . . 4.130 3.346 2.997 3.520 . 0 0 "[ . 1 . 2]" 1
770 1 65 GLN H 1 65 GLN HB2 . . 3.090 2.233 2.199 2.253 . 0 0 "[ . 1 . 2]" 1
771 1 65 GLN H 1 65 GLN HB3 . . 3.280 2.880 2.849 2.910 . 0 0 "[ . 1 . 2]" 1
772 1 65 GLN H 1 65 GLN QG . . 4.450 3.878 3.825 4.064 . 0 0 "[ . 1 . 2]" 1
773 1 65 GLN H 1 66 ASP H . . 3.470 2.699 2.632 2.800 . 0 0 "[ . 1 . 2]" 1
774 1 65 GLN H 1 66 ASP HA . . 5.500 5.308 5.284 5.352 . 0 0 "[ . 1 . 2]" 1
775 1 65 GLN H 1 67 ILE H . . 4.060 3.775 3.730 3.819 . 0 0 "[ . 1 . 2]" 1
776 1 65 GLN HA 1 65 GLN HG2 . . 4.090 2.796 2.290 3.683 . 0 0 "[ . 1 . 2]" 1
777 1 65 GLN HA 1 65 GLN QG . . 3.550 2.303 2.265 2.557 . 0 0 "[ . 1 . 2]" 1
778 1 65 GLN HA 1 65 GLN HG3 . . 4.090 2.556 2.423 3.577 . 0 0 "[ . 1 . 2]" 1
779 1 65 GLN HA 1 67 ILE H . . 5.130 4.266 4.227 4.340 . 0 0 "[ . 1 . 2]" 1
780 1 65 GLN HB2 1 67 ILE H . . 5.500 5.336 5.241 5.388 . 0 0 "[ . 1 . 2]" 1
781 1 65 GLN HB3 1 66 ASP H . . 2.650 2.589 2.422 2.677 0.027 7 0 "[ . 1 . 2]" 1
782 1 65 GLN HB3 1 67 ILE H . . 5.500 4.729 4.591 4.789 . 0 0 "[ . 1 . 2]" 1
783 1 66 ASP H 1 66 ASP HB2 . . 3.770 3.106 2.717 3.743 . 0 0 "[ . 1 . 2]" 1
784 1 66 ASP H 1 66 ASP QB . . 3.190 2.821 2.657 3.110 . 0 0 "[ . 1 . 2]" 1
785 1 66 ASP H 1 66 ASP HB3 . . 3.770 3.565 2.933 3.772 0.002 19 0 "[ . 1 . 2]" 1
786 1 66 ASP H 1 67 ILE H . . 3.260 2.369 2.281 2.451 . 0 0 "[ . 1 . 2]" 1
787 1 66 ASP H 1 67 ILE HB . . 4.500 4.366 4.255 4.456 . 0 0 "[ . 1 . 2]" 1
788 1 66 ASP H 1 68 TYR H . . 5.500 5.080 5.000 5.222 . 0 0 "[ . 1 . 2]" 1
789 1 66 ASP HA 1 68 TYR H . . 4.920 4.194 3.883 4.332 . 0 0 "[ . 1 . 2]" 1
790 1 66 ASP HA 1 69 GLU H . . 5.090 3.623 3.433 3.725 . 0 0 "[ . 1 . 2]" 1
791 1 66 ASP HA 1 69 GLU QB . . 4.660 3.205 3.045 3.537 . 0 0 "[ . 1 . 2]" 1
792 1 66 ASP HA 1 70 TRP H . . 5.500 4.124 3.962 4.486 . 0 0 "[ . 1 . 2]" 1
793 1 66 ASP QB 1 67 ILE H . . 4.380 3.709 3.514 4.015 . 0 0 "[ . 1 . 2]" 1
794 1 66 ASP HB2 1 67 ILE H . . 5.040 3.956 3.681 4.447 . 0 0 "[ . 1 . 2]" 1
795 1 66 ASP HB3 1 67 ILE H . . 5.040 4.530 4.430 4.689 . 0 0 "[ . 1 . 2]" 1
796 1 67 ILE H 1 67 ILE HB . . 3.040 2.567 2.480 2.636 . 0 0 "[ . 1 . 2]" 1
797 1 67 ILE H 1 67 ILE MG . . 3.940 2.055 1.985 2.134 . 0 0 "[ . 1 . 2]" 1
798 1 67 ILE H 1 68 TYR H . . 3.750 2.942 2.843 2.994 . 0 0 "[ . 1 . 2]" 1
799 1 67 ILE H 1 68 TYR HB2 . . 5.500 5.279 5.159 5.336 . 0 0 "[ . 1 . 2]" 1
800 1 67 ILE H 1 68 TYR HB3 . . 5.500 5.128 5.026 5.217 . 0 0 "[ . 1 . 2]" 1
801 1 67 ILE H 1 69 GLU QB . . 5.500 5.359 5.201 5.511 0.011 17 0 "[ . 1 . 2]" 1
802 1 67 ILE HA 1 71 THR H . . 4.690 3.949 3.833 4.549 . 0 0 "[ . 1 . 2]" 1
803 1 67 ILE HB 1 67 ILE MD . . 3.000 2.842 2.775 2.995 . 0 0 "[ . 1 . 2]" 1
804 1 67 ILE HB 1 68 TYR H . . 4.040 3.887 3.861 3.939 . 0 0 "[ . 1 . 2]" 1
805 1 67 ILE MD 1 68 TYR H . . 3.660 3.704 3.681 3.727 0.067 1 0 "[ . 1 . 2]" 1
806 1 67 ILE MD 1 68 TYR HA . . 3.880 3.862 3.591 3.929 0.049 19 0 "[ . 1 . 2]" 1
807 1 67 ILE MD 1 68 TYR QD . . 4.710 4.737 4.714 4.752 0.042 14 0 "[ . 1 . 2]" 1
808 1 67 ILE MD 1 71 THR H . . 5.500 5.481 5.049 5.538 0.038 7 0 "[ . 1 . 2]" 1
809 1 68 TYR H 1 68 TYR HB2 . . 3.270 2.466 2.436 2.559 . 0 0 "[ . 1 . 2]" 1
810 1 68 TYR H 1 68 TYR HB3 . . 3.020 2.546 2.460 2.582 . 0 0 "[ . 1 . 2]" 1
811 1 68 TYR H 1 68 TYR QD . . 4.390 4.188 4.176 4.204 . 0 0 "[ . 1 . 2]" 1
812 1 68 TYR HA 1 68 TYR QD . . 3.150 2.984 2.929 3.030 . 0 0 "[ . 1 . 2]" 1
813 1 68 TYR HA 1 68 TYR QE . . 4.800 4.708 4.685 4.747 . 0 0 "[ . 1 . 2]" 1
814 1 68 TYR HA 1 72 LYS H . . 5.500 4.389 4.310 4.546 . 0 0 "[ . 1 . 2]" 1
815 1 68 TYR HB3 1 69 GLU H . . 2.950 2.407 2.375 2.479 . 0 0 "[ . 1 . 2]" 1
816 1 68 TYR QD 1 69 GLU H . . 3.290 3.153 3.142 3.175 . 0 0 "[ . 1 . 2]" 1
817 1 68 TYR QD 1 69 GLU HA . . 3.890 3.089 3.033 3.189 . 0 0 "[ . 1 . 2]" 1
818 1 68 TYR QD 1 69 GLU QB . . 4.240 4.245 4.233 4.264 0.024 4 0 "[ . 1 . 2]" 1
819 1 68 TYR QD 1 69 GLU QG . . 3.360 2.733 2.616 2.812 . 0 0 "[ . 1 . 2]" 1
820 1 68 TYR QD 1 72 LYS QD . . 4.240 3.213 2.951 3.896 . 0 0 "[ . 1 . 2]" 1
821 1 68 TYR QD 1 72 LYS QE . . 4.350 4.227 2.290 4.377 0.027 18 0 "[ . 1 . 2]" 1
822 1 68 TYR QE 1 69 GLU H . . 5.330 5.367 5.349 5.378 0.048 18 0 "[ . 1 . 2]" 1
823 1 68 TYR QE 1 69 GLU HA . . 4.420 4.459 4.445 4.484 0.064 17 0 "[ . 1 . 2]" 1
824 1 68 TYR QE 1 69 GLU QG . . 4.370 4.206 4.109 4.382 0.012 8 0 "[ . 1 . 2]" 1
825 1 68 TYR QE 1 72 LYS QD . . 3.780 2.546 2.193 3.108 . 0 0 "[ . 1 . 2]" 1
826 1 68 TYR QE 1 72 LYS QE . . 3.990 2.685 2.340 3.418 . 0 0 "[ . 1 . 2]" 1
827 1 69 GLU H 1 69 GLU QB . . 3.140 2.318 2.306 2.327 . 0 0 "[ . 1 . 2]" 1
828 1 69 GLU H 1 69 GLU QG . . 3.320 2.464 2.452 2.507 . 0 0 "[ . 1 . 2]" 1
829 1 69 GLU H 1 72 LYS H . . 4.850 4.816 4.738 4.918 0.068 3 0 "[ . 1 . 2]" 1
830 1 69 GLU HA 1 69 GLU QG . . 3.870 2.355 2.333 2.611 . 0 0 "[ . 1 . 2]" 1
831 1 69 GLU HA 1 72 LYS QB . . 2.720 2.532 2.400 2.758 0.038 17 0 "[ . 1 . 2]" 1
832 1 69 GLU HA 1 72 LYS QD . . 4.110 3.046 2.772 3.930 . 0 0 "[ . 1 . 2]" 1
833 1 69 GLU HA 1 72 LYS QE . . 4.850 4.594 2.078 4.898 0.048 9 0 "[ . 1 . 2]" 1
834 1 69 GLU QB 1 70 TRP H . . 3.370 2.674 2.584 2.901 . 0 0 "[ . 1 . 2]" 1
835 1 69 GLU QB 1 72 LYS H . . 5.020 4.877 4.780 4.946 . 0 0 "[ . 1 . 2]" 1
836 1 69 GLU QG 1 70 TRP H . . 4.480 4.280 4.248 4.368 . 0 0 "[ . 1 . 2]" 1
837 1 70 TRP H 1 70 TRP HB2 . . 3.320 2.525 2.484 2.730 . 0 0 "[ . 1 . 2]" 1
838 1 70 TRP H 1 70 TRP HB3 . . 3.310 2.553 2.380 2.604 . 0 0 "[ . 1 . 2]" 1
839 1 70 TRP H 1 70 TRP HE3 . . 5.200 4.706 4.637 4.934 . 0 0 "[ . 1 . 2]" 1
840 1 70 TRP H 1 71 THR H . . 3.650 2.766 2.684 2.876 . 0 0 "[ . 1 . 2]" 1
841 1 70 TRP H 1 73 ILE H . . 5.500 5.034 4.831 5.279 . 0 0 "[ . 1 . 2]" 1
842 1 70 TRP HA 1 70 TRP HD1 . . 4.920 4.212 4.120 4.620 . 0 0 "[ . 1 . 2]" 1
843 1 70 TRP HA 1 70 TRP HE3 . . 3.350 3.162 2.631 3.286 . 0 0 "[ . 1 . 2]" 1
844 1 70 TRP HA 1 72 LYS H . . 5.500 4.169 4.126 4.332 . 0 0 "[ . 1 . 2]" 1
845 1 70 TRP HA 1 73 ILE H . . 4.610 3.688 3.613 3.827 . 0 0 "[ . 1 . 2]" 1
846 1 70 TRP HA 1 74 ASN HD21 . . 5.070 3.440 2.876 4.433 . 0 0 "[ . 1 . 2]" 1
847 1 70 TRP HA 1 74 ASN QD . . 4.420 3.079 2.805 3.487 . 0 0 "[ . 1 . 2]" 1
848 1 70 TRP HA 1 74 ASN HD22 . . 5.070 3.841 3.197 4.323 . 0 0 "[ . 1 . 2]" 1
849 1 70 TRP HB2 1 70 TRP HE3 . . 3.650 2.626 2.581 2.842 . 0 0 "[ . 1 . 2]" 1
850 1 70 TRP HB2 1 71 THR H . . 4.340 3.806 3.740 3.914 . 0 0 "[ . 1 . 2]" 1
851 1 70 TRP HB3 1 71 THR H . . 4.220 2.461 2.361 2.628 . 0 0 "[ . 1 . 2]" 1
852 1 70 TRP HB3 1 72 LYS H . . 5.360 4.728 4.649 4.848 . 0 0 "[ . 1 . 2]" 1
853 1 70 TRP HD1 1 71 THR H . . 4.760 3.551 3.205 3.715 . 0 0 "[ . 1 . 2]" 1
854 1 70 TRP HD1 1 71 THR HA . . 4.110 3.322 3.233 3.718 . 0 0 "[ . 1 . 2]" 1
855 1 70 TRP HD1 1 71 THR HB . . 5.310 5.301 5.014 5.342 0.032 8 0 "[ . 1 . 2]" 1
856 1 70 TRP HD1 1 71 THR MG . . 3.470 3.035 2.365 3.172 . 0 0 "[ . 1 . 2]" 1
857 1 70 TRP HD1 1 72 LYS H . . 5.500 5.559 5.542 5.610 0.110 3 0 "[ . 1 . 2]" 1
858 1 70 TRP HD1 1 74 ASN HD21 . . 5.500 4.006 3.588 4.827 . 0 0 "[ . 1 . 2]" 1
859 1 70 TRP HD1 1 74 ASN HD22 . . 5.500 4.070 2.688 5.350 . 0 0 "[ . 1 . 2]" 1
860 1 70 TRP HE3 1 74 ASN HD21 . . 5.170 4.600 3.559 5.119 . 0 0 "[ . 1 . 2]" 1
861 1 70 TRP HE3 1 74 ASN QD . . 4.540 3.929 2.825 4.259 . 0 0 "[ . 1 . 2]" 1
862 1 70 TRP HE3 1 74 ASN HD22 . . 5.170 4.277 2.964 4.555 . 0 0 "[ . 1 . 2]" 1
863 1 70 TRP HH2 1 74 ASN HD21 . . 5.500 5.384 4.978 5.543 0.043 16 0 "[ . 1 . 2]" 1
864 1 70 TRP HH2 1 74 ASN HD22 . . 5.500 4.541 3.333 5.411 . 0 0 "[ . 1 . 2]" 1
865 1 70 TRP HZ2 1 74 ASN HD21 . . 4.970 4.534 3.984 4.890 . 0 0 "[ . 1 . 2]" 1
866 1 70 TRP HZ2 1 74 ASN HD22 . . 4.970 3.808 3.386 4.168 . 0 0 "[ . 1 . 2]" 1
867 1 70 TRP HZ3 1 74 ASN HD21 . . 5.500 5.415 4.391 5.509 0.009 10 0 "[ . 1 . 2]" 1
868 1 70 TRP HZ3 1 74 ASN HD22 . . 5.500 4.742 2.879 5.514 0.014 1 0 "[ . 1 . 2]" 1
869 1 71 THR H 1 71 THR HB . . 3.790 3.620 3.611 3.627 . 0 0 "[ . 1 . 2]" 1
870 1 71 THR H 1 71 THR MG . . 3.490 2.400 2.348 2.461 . 0 0 "[ . 1 . 2]" 1
871 1 71 THR H 1 72 LYS H . . 3.420 2.571 2.511 2.637 . 0 0 "[ . 1 . 2]" 1
872 1 71 THR H 1 72 LYS QB . . 4.880 4.215 4.131 4.529 . 0 0 "[ . 1 . 2]" 1
873 1 71 THR H 1 73 ILE H . . 4.350 4.379 4.351 4.445 0.095 7 0 "[ . 1 . 2]" 1
874 1 71 THR HA 1 71 THR MG . . 3.170 2.296 2.251 2.309 . 0 0 "[ . 1 . 2]" 1
875 1 71 THR HA 1 73 ILE H . . 4.320 4.333 4.261 4.384 0.064 18 0 "[ . 1 . 2]" 1
876 1 71 THR HA 1 74 ASN H . . 4.330 3.691 3.549 3.806 . 0 0 "[ . 1 . 2]" 1
877 1 71 THR HA 1 74 ASN QB . . 4.880 3.623 2.631 4.893 0.013 20 0 "[ . 1 . 2]" 1
878 1 71 THR HB 1 72 LYS H . . 3.790 3.777 3.753 3.795 0.005 7 0 "[ . 1 . 2]" 1
879 1 72 LYS H 1 72 LYS HB2 . . 3.420 2.181 2.112 2.308 . 0 0 "[ . 1 . 2]" 1
880 1 72 LYS H 1 72 LYS QB . . 2.870 2.116 2.069 2.279 . 0 0 "[ . 1 . 2]" 1
881 1 72 LYS H 1 72 LYS HB3 . . 3.420 2.872 2.767 3.534 0.114 17 0 "[ . 1 . 2]" 1
882 1 72 LYS H 1 72 LYS QD . . 4.810 4.207 3.778 4.456 . 0 0 "[ . 1 . 2]" 1
883 1 72 LYS H 1 73 ILE MD . . 5.500 4.431 3.696 5.033 . 0 0 "[ . 1 . 2]" 1
884 1 72 LYS HA 1 72 LYS QG . . 3.440 2.281 2.228 2.452 . 0 0 "[ . 1 . 2]" 1
885 1 72 LYS QB 1 73 ILE H . . 3.280 2.566 2.481 2.640 . 0 0 "[ . 1 . 2]" 1
886 1 72 LYS QG 1 73 ILE H . . 4.090 4.114 4.070 4.182 0.092 17 0 "[ . 1 . 2]" 1
887 1 72 LYS HG2 1 73 ILE H . . 4.930 4.430 4.315 4.908 . 0 0 "[ . 1 . 2]" 1
888 1 72 LYS HG3 1 73 ILE H . . 4.930 4.926 4.485 5.005 0.075 12 0 "[ . 1 . 2]" 1
889 1 73 ILE H 1 73 ILE HB . . 3.070 2.673 2.508 2.760 . 0 0 "[ . 1 . 2]" 1
890 1 73 ILE H 1 73 ILE MD . . 4.380 2.801 2.065 3.286 . 0 0 "[ . 1 . 2]" 1
891 1 73 ILE H 1 73 ILE HG12 . . 3.970 2.727 2.114 4.020 0.050 13 0 "[ . 1 . 2]" 1
892 1 73 ILE H 1 73 ILE QG . . 3.430 2.322 2.102 2.766 . 0 0 "[ . 1 . 2]" 1
893 1 73 ILE H 1 73 ILE HG13 . . 3.970 3.417 2.581 3.823 . 0 0 "[ . 1 . 2]" 1
894 1 73 ILE H 1 73 ILE MG . . 4.180 3.841 3.816 3.851 . 0 0 "[ . 1 . 2]" 1
895 1 73 ILE H 1 74 ASN H . . 3.290 2.498 2.424 2.586 . 0 0 "[ . 1 . 2]" 1
896 1 73 ILE H 1 74 ASN HA . . 5.500 5.147 5.069 5.200 . 0 0 "[ . 1 . 2]" 1
897 1 73 ILE H 1 74 ASN QB . . 5.320 4.645 4.233 5.189 . 0 0 "[ . 1 . 2]" 1
898 1 73 ILE H 1 74 ASN HD21 . . 5.500 4.355 3.953 5.433 . 0 0 "[ . 1 . 2]" 1
899 1 73 ILE H 1 74 ASN QD . . 4.760 4.093 3.870 4.718 . 0 0 "[ . 1 . 2]" 1
900 1 73 ILE H 1 74 ASN HD22 . . 5.500 5.253 4.666 5.523 0.023 16 0 "[ . 1 . 2]" 1
901 1 73 ILE HA 1 73 ILE MD . . 3.510 2.719 2.221 3.749 0.239 10 0 "[ . 1 . 2]" 1
902 1 73 ILE HA 1 73 ILE HG12 . . 4.190 3.324 2.965 3.414 . 0 0 "[ . 1 . 2]" 1
903 1 73 ILE HA 1 73 ILE QG . . 3.670 2.918 2.312 3.204 . 0 0 "[ . 1 . 2]" 1
904 1 73 ILE HA 1 73 ILE HG13 . . 4.190 3.419 2.381 3.879 . 0 0 "[ . 1 . 2]" 1
905 1 73 ILE HA 1 73 ILE MG . . 3.250 2.364 2.313 2.450 . 0 0 "[ . 1 . 2]" 1
906 1 73 ILE HB 1 74 ASN H . . 3.030 2.558 2.517 2.907 . 0 0 "[ . 1 . 2]" 1
907 1 73 ILE HB 1 74 ASN QD . . 4.340 3.122 2.834 3.820 . 0 0 "[ . 1 . 2]" 1
908 1 73 ILE QG 1 74 ASN H . . 4.110 3.919 3.699 4.202 0.092 4 0 "[ . 1 . 2]" 1
909 1 73 ILE QG 1 74 ASN QD . . 5.130 4.461 3.974 5.136 0.006 10 0 "[ . 1 . 2]" 1
910 1 73 ILE MG 1 74 ASN H . . 3.690 3.589 3.336 3.712 0.022 3 0 "[ . 1 . 2]" 1
911 1 73 ILE MG 1 74 ASN QD . . 4.330 3.902 3.524 4.352 0.022 1 0 "[ . 1 . 2]" 1
912 1 73 ILE MG 1 75 GLY H . . 5.500 5.083 4.592 5.378 . 0 0 "[ . 1 . 2]" 1
913 1 74 ASN H 1 74 ASN HB2 . . 3.760 2.778 2.199 3.667 . 0 0 "[ . 1 . 2]" 1
914 1 74 ASN H 1 74 ASN QB . . 3.200 2.505 2.177 2.950 . 0 0 "[ . 1 . 2]" 1
915 1 74 ASN H 1 74 ASN HB3 . . 3.760 3.398 3.031 3.588 . 0 0 "[ . 1 . 2]" 1
916 1 74 ASN H 1 74 ASN HD21 . . 4.230 2.639 2.367 3.525 . 0 0 "[ . 1 . 2]" 1
917 1 74 ASN H 1 74 ASN QD . . 3.690 2.551 2.345 3.203 . 0 0 "[ . 1 . 2]" 1
918 1 74 ASN H 1 74 ASN HD22 . . 4.230 3.673 3.278 4.003 . 0 0 "[ . 1 . 2]" 1
919 1 74 ASN HA 1 74 ASN QD . . 4.440 3.646 3.254 4.121 . 0 0 "[ . 1 . 2]" 1
920 1 74 ASN QB 1 74 ASN QD . . 3.090 2.144 2.062 2.211 . 0 0 "[ . 1 . 2]" 1
921 1 74 ASN QB 1 75 GLY H . . 4.050 3.244 2.874 3.945 . 0 0 "[ . 1 . 2]" 1
922 1 74 ASN HB2 1 75 GLY H . . 4.750 3.435 2.989 4.311 . 0 0 "[ . 1 . 2]" 1
923 1 74 ASN HB3 1 75 GLY H . . 4.750 4.014 3.571 4.592 . 0 0 "[ . 1 . 2]" 1
924 1 85 GLY QA 1 86 ASP H . . 3.100 2.258 2.103 2.591 . 0 0 "[ . 1 . 2]" 1
925 1 86 ASP H 1 86 ASP QB . . 3.260 2.463 2.376 2.590 . 0 0 "[ . 1 . 2]" 1
926 1 86 ASP HA 1 87 VAL H . . 2.820 2.209 2.128 2.278 . 0 0 "[ . 1 . 2]" 1
927 1 86 ASP QB 1 87 VAL H . . 3.850 2.974 2.697 3.585 . 0 0 "[ . 1 . 2]" 1
928 1 86 ASP HB2 1 87 VAL H . . 4.470 4.111 3.946 4.372 . 0 0 "[ . 1 . 2]" 1
929 1 86 ASP HB3 1 87 VAL H . . 4.470 3.061 2.746 3.837 . 0 0 "[ . 1 . 2]" 1
930 1 87 VAL H 1 87 VAL HB . . 3.200 2.852 2.753 2.952 . 0 0 "[ . 1 . 2]" 1
931 1 87 VAL H 1 87 VAL MG1 . . 3.970 3.842 2.126 3.978 0.008 20 0 "[ . 1 . 2]" 1
932 1 87 VAL H 1 87 VAL QG . . 3.030 2.375 2.117 2.536 . 0 0 "[ . 1 . 2]" 1
933 1 87 VAL H 1 87 VAL MG2 . . 3.970 2.483 2.222 3.872 . 0 0 "[ . 1 . 2]" 1
934 1 87 VAL HA 1 87 VAL QG . . 3.050 2.155 2.119 2.314 . 0 0 "[ . 1 . 2]" 1
935 1 87 VAL HA 1 88 MET H . . 3.150 2.207 2.139 2.290 . 0 0 "[ . 1 . 2]" 1
936 1 87 VAL HA 1 88 MET HG2 . . 5.500 4.810 3.923 5.543 0.043 1 0 "[ . 1 . 2]" 1
937 1 87 VAL HA 1 88 MET HG3 . . 5.500 4.644 3.726 5.515 0.015 3 0 "[ . 1 . 2]" 1
938 1 87 VAL HB 1 88 MET H . . 4.200 3.818 3.594 4.220 0.020 7 0 "[ . 1 . 2]" 1
939 1 87 VAL QG 1 88 MET H . . 3.160 2.358 2.131 2.594 . 0 0 "[ . 1 . 2]" 1
940 1 87 VAL MG1 1 88 MET H . . 4.150 2.439 2.138 3.951 . 0 0 "[ . 1 . 2]" 1
941 1 87 VAL MG2 1 88 MET H . . 4.150 4.063 2.630 4.183 0.033 2 0 "[ . 1 . 2]" 1
942 1 88 MET H 1 88 MET HB2 . . 3.740 2.516 2.429 2.582 . 0 0 "[ . 1 . 2]" 1
943 1 88 MET H 1 88 MET QB . . 3.220 2.477 2.395 2.538 . 0 0 "[ . 1 . 2]" 1
944 1 88 MET H 1 88 MET HB3 . . 3.740 3.699 3.651 3.745 0.005 9 0 "[ . 1 . 2]" 1
945 1 88 MET H 1 89 VAL H . . 4.580 4.487 4.457 4.519 . 0 0 "[ . 1 . 2]" 1
946 1 88 MET HA 1 88 MET HG2 . . 3.860 2.700 2.394 3.677 . 0 0 "[ . 1 . 2]" 1
947 1 88 MET HA 1 88 MET QG . . 3.200 2.532 2.304 2.865 . 0 0 "[ . 1 . 2]" 1
948 1 88 MET HA 1 88 MET HG3 . . 3.860 3.231 2.453 3.731 . 0 0 "[ . 1 . 2]" 1
949 1 88 MET HA 1 89 VAL H . . 3.010 2.272 2.193 2.371 . 0 0 "[ . 1 . 2]" 1
950 1 88 MET HA 1 89 VAL QG . . 3.690 3.269 3.181 3.725 0.035 5 0 "[ . 1 . 2]" 1
951 1 88 MET QB 1 89 VAL H . . 3.430 2.715 2.489 2.939 . 0 0 "[ . 1 . 2]" 1
952 1 88 MET HB2 1 89 VAL H . . 4.280 3.973 3.844 4.105 . 0 0 "[ . 1 . 2]" 1
953 1 88 MET HB3 1 89 VAL H . . 4.280 2.765 2.521 3.011 . 0 0 "[ . 1 . 2]" 1
954 1 88 MET QG 1 89 VAL H . . 4.470 3.969 3.555 4.472 0.002 17 0 "[ . 1 . 2]" 1
955 1 88 MET HG2 1 89 VAL H . . 5.320 4.284 3.680 4.928 . 0 0 "[ . 1 . 2]" 1
956 1 88 MET HG3 1 89 VAL H . . 5.320 4.833 4.023 5.125 . 0 0 "[ . 1 . 2]" 1
957 1 89 VAL H 1 89 VAL HB . . 3.140 2.905 2.757 3.088 . 0 0 "[ . 1 . 2]" 1
958 1 89 VAL H 1 89 VAL MG1 . . 3.660 3.600 1.956 3.814 0.154 9 0 "[ . 1 . 2]" 1
959 1 89 VAL H 1 89 VAL QG . . 3.030 1.932 1.880 2.019 . 0 0 "[ . 1 . 2]" 1
960 1 89 VAL H 1 89 VAL MG2 . . 3.660 2.122 1.885 3.804 0.144 5 0 "[ . 1 . 2]" 1
961 1 89 VAL HA 1 90 VAL H . . 3.400 2.273 2.203 2.341 . 0 0 "[ . 1 . 2]" 1
962 1 89 VAL HB 1 90 VAL H . . 4.310 3.556 3.291 4.048 . 0 0 "[ . 1 . 2]" 1
963 1 89 VAL QG 1 90 VAL H . . 3.700 2.212 1.985 2.484 . 0 0 "[ . 1 . 2]" 1
964 1 90 VAL H 1 90 VAL HB . . 3.680 2.746 2.476 2.843 . 0 0 "[ . 1 . 2]" 1
965 1 90 VAL H 1 90 VAL MG1 . . 4.020 3.778 3.759 3.793 . 0 0 "[ . 1 . 2]" 1
966 1 90 VAL H 1 90 VAL QG . . 3.410 1.871 1.775 2.192 . 0 0 "[ . 1 . 2]" 1
967 1 90 VAL H 1 90 VAL MG2 . . 4.020 1.876 1.779 2.207 . 0 0 "[ . 1 . 2]" 1
968 1 90 VAL H 1 91 GLY H . . 4.820 4.413 4.393 4.530 . 0 0 "[ . 1 . 2]" 1
969 1 90 VAL HA 1 91 GLY H . . 2.890 2.137 2.119 2.146 . 0 0 "[ . 1 . 2]" 1
970 1 90 VAL QG 1 91 GLY H . . 4.340 3.028 2.796 3.084 . 0 0 "[ . 1 . 2]" 1
971 1 90 VAL QG 1 91 GLY QA . . 4.240 3.860 3.762 3.899 . 0 0 "[ . 1 . 2]" 1
972 1 91 GLY H 1 92 GLU H . . 5.390 4.514 3.783 4.650 . 0 0 "[ . 1 . 2]" 1
973 1 91 GLY QA 1 92 GLU H . . 2.700 2.179 2.042 2.265 . 0 0 "[ . 1 . 2]" 1
974 1 91 GLY HA2 1 92 GLU H . . 3.130 2.435 2.201 3.227 0.097 12 0 "[ . 1 . 2]" 1
975 1 91 GLY HA3 1 92 GLU H . . 3.130 2.743 2.066 2.998 . 0 0 "[ . 1 . 2]" 1
976 1 92 GLU HA 1 93 PRO QD . . 3.110 2.042 1.932 2.280 . 0 0 "[ . 1 . 2]" 1
977 1 93 PRO HA 1 94 THR H . . 3.200 2.228 1.996 2.419 . 0 0 "[ . 1 . 2]" 1
978 1 93 PRO HA 1 94 THR MG . . 5.500 3.798 3.493 3.955 . 0 0 "[ . 1 . 2]" 1
979 1 93 PRO HB2 1 94 THR H . . 3.610 3.276 2.515 3.623 0.013 5 0 "[ . 1 . 2]" 1
980 1 93 PRO HB2 1 94 THR HA . . 4.450 4.350 4.138 4.465 0.015 13 0 "[ . 1 . 2]" 1
981 1 93 PRO HB2 1 95 LEU H . . 5.030 4.911 4.560 5.430 0.400 12 0 "[ . 1 . 2]" 1
982 1 93 PRO HB3 1 94 THR H . . 4.030 3.331 2.978 3.837 . 0 0 "[ . 1 . 2]" 1
983 1 94 THR H 1 94 THR MG . . 4.050 2.899 2.100 3.076 . 0 0 "[ . 1 . 2]" 1
984 1 94 THR H 1 95 LEU H . . 4.760 4.269 4.168 4.405 . 0 0 "[ . 1 . 2]" 1
985 1 94 THR HA 1 94 THR MG . . 3.280 2.375 2.218 3.254 . 0 0 "[ . 1 . 2]" 1
986 1 94 THR HA 1 95 LEU H . . 3.330 2.157 2.056 2.480 . 0 0 "[ . 1 . 2]" 1
987 1 94 THR HB 1 95 LEU H . . 3.780 3.511 2.362 3.925 0.145 6 0 "[ . 1 . 2]" 1
988 1 94 THR MG 1 95 LEU H . . 4.160 3.884 3.464 4.167 0.007 6 0 "[ . 1 . 2]" 1
989 1 95 LEU H 1 95 LEU QB . . 2.850 2.402 2.107 2.678 . 0 0 "[ . 1 . 2]" 1
990 1 95 LEU H 1 95 LEU QD . . 4.290 2.793 1.807 3.735 . 0 0 "[ . 1 . 2]" 1
991 1 95 LEU HA 1 95 LEU QD . . 3.590 2.984 2.101 3.454 . 0 0 "[ . 1 . 2]" 1
992 1 95 LEU HA 1 96 MET H . . 3.250 2.167 2.078 2.280 . 0 0 "[ . 1 . 2]" 1
993 1 95 LEU QB 1 96 MET H . . 4.080 3.219 2.550 3.970 . 0 0 "[ . 1 . 2]" 1
994 1 95 LEU QD 1 96 MET H . . 4.150 3.603 1.869 4.247 0.097 17 0 "[ . 1 . 2]" 1
995 1 97 GLY QA 1 98 GLY H . . 2.900 2.308 2.127 2.733 . 0 0 "[ . 1 . 2]" 1
996 1 98 GLY H 1 99 GLU H . . 4.320 3.792 2.190 4.334 0.014 12 0 "[ . 1 . 2]" 1
997 1 98 GLY QA 1 99 GLU H . . 2.920 2.202 2.103 2.648 . 0 0 "[ . 1 . 2]" 1
998 1 99 GLU H 1 99 GLU QB . . 2.940 2.511 2.340 3.010 0.070 2 0 "[ . 1 . 2]" 1
999 1 99 GLU H 1 99 GLU QG . . 3.410 2.913 2.000 3.421 0.011 2 0 "[ . 1 . 2]" 1
1000 1 99 GLU HA 1 100 PHE H . . 2.950 2.280 2.115 2.984 0.034 18 0 "[ . 1 . 2]" 1
1001 1 99 GLU HA 1 101 GLY H . . 4.920 4.373 3.859 4.972 0.052 11 0 "[ . 1 . 2]" 1
1002 1 99 GLU QB 1 100 PHE H . . 4.170 2.886 2.401 3.734 . 0 0 "[ . 1 . 2]" 1
1003 1 100 PHE H 1 100 PHE HB2 . . 3.780 2.694 2.370 3.794 0.014 3 0 "[ . 1 . 2]" 1
1004 1 100 PHE H 1 100 PHE QB . . 3.180 2.547 2.340 3.135 . 0 0 "[ . 1 . 2]" 1
1005 1 100 PHE H 1 100 PHE HB3 . . 3.780 3.608 2.907 3.828 0.048 11 0 "[ . 1 . 2]" 1
1006 1 100 PHE H 1 100 PHE QD . . 3.550 2.774 2.286 3.594 0.044 11 0 "[ . 1 . 2]" 1
1007 1 100 PHE HA 1 100 PHE QD . . 3.800 3.043 2.798 3.738 . 0 0 "[ . 1 . 2]" 1
1008 1 100 PHE QB 1 101 GLY H . . 3.820 3.013 2.546 3.880 0.060 11 0 "[ . 1 . 2]" 1
1009 1 100 PHE HB2 1 101 GLY H . . 4.480 3.241 2.612 4.571 0.091 11 0 "[ . 1 . 2]" 1
1010 1 100 PHE HB3 1 101 GLY H . . 4.480 3.799 3.520 4.403 . 0 0 "[ . 1 . 2]" 1
1011 1 100 PHE QD 1 101 GLY H . . 5.090 4.194 2.769 4.854 . 0 0 "[ . 1 . 2]" 1
1012 1 101 GLY H 1 102 ASP H . . 4.580 3.912 2.680 4.453 . 0 0 "[ . 1 . 2]" 1
1013 1 102 ASP H 1 103 GLU H . . 3.590 3.160 1.882 3.671 0.081 3 0 "[ . 1 . 2]" 1
1014 1 102 ASP HA 1 103 GLU H . . 3.100 2.502 2.129 3.187 0.087 7 0 "[ . 1 . 2]" 1
1015 1 104 ASP QB 1 105 GLU H . . 3.300 3.029 2.814 3.224 . 0 0 "[ . 1 . 2]" 1
1016 1 104 ASP HB2 1 105 GLU H . . 3.950 3.197 2.907 3.854 . 0 0 "[ . 1 . 2]" 1
1017 1 104 ASP HB3 1 105 GLU H . . 3.950 3.876 3.011 3.993 0.043 3 0 "[ . 1 . 2]" 1
1018 1 105 GLU H 1 105 GLU QB . . 3.200 2.328 2.237 2.822 . 0 0 "[ . 1 . 2]" 1
1019 1 105 GLU H 1 105 GLU HG2 . . 5.220 3.919 1.934 4.689 . 0 0 "[ . 1 . 2]" 1
1020 1 105 GLU H 1 105 GLU QG . . 4.560 2.946 1.907 4.106 . 0 0 "[ . 1 . 2]" 1
1021 1 105 GLU H 1 105 GLU HG3 . . 5.220 3.118 2.705 4.537 . 0 0 "[ . 1 . 2]" 1
1022 1 105 GLU HA 1 105 GLU QG . . 3.270 2.401 2.273 3.346 0.076 9 0 "[ . 1 . 2]" 1
1023 1 105 GLU QB 1 106 ARG H . . 3.970 2.977 2.630 3.632 . 0 0 "[ . 1 . 2]" 1
1024 1 106 ARG H 1 106 ARG HA . . 2.930 2.911 2.893 2.921 . 0 0 "[ . 1 . 2]" 1
1025 1 106 ARG H 1 106 ARG QB . . 2.740 2.498 2.316 2.768 0.028 12 0 "[ . 1 . 2]" 1
1026 1 106 ARG H 1 106 ARG QG . . 2.920 2.459 1.937 2.811 . 0 0 "[ . 1 . 2]" 1
1027 1 106 ARG H 1 107 LEU H . . 3.980 2.431 2.250 2.701 . 0 0 "[ . 1 . 2]" 1
1028 1 106 ARG HA 1 106 ARG QB . . 2.420 2.326 2.172 2.431 0.011 10 0 "[ . 1 . 2]" 1
1029 1 106 ARG HA 1 107 LEU H . . 3.530 3.326 3.115 3.530 0.000 16 0 "[ . 1 . 2]" 1
1030 1 107 LEU H 1 107 LEU HB2 . . 3.210 2.444 2.170 2.563 . 0 0 "[ . 1 . 2]" 1
1031 1 107 LEU H 1 107 LEU QB . . 2.500 2.289 2.138 2.347 . 0 0 "[ . 1 . 2]" 1
1032 1 107 LEU H 1 107 LEU HB3 . . 3.210 2.804 2.722 3.225 0.015 12 0 "[ . 1 . 2]" 1
1033 1 107 LEU H 1 107 LEU QD . . 4.380 3.759 3.314 3.834 . 0 0 "[ . 1 . 2]" 1
1034 1 107 LEU QB 1 108 ILE H . . 3.820 2.621 2.050 3.261 . 0 0 "[ . 1 . 2]" 1
1035 1 107 LEU QD 1 108 ILE H . . 5.020 3.750 3.440 4.460 . 0 0 "[ . 1 . 2]" 1
1036 1 108 ILE H 1 108 ILE MD . . 4.490 3.599 1.598 4.503 0.013 16 0 "[ . 1 . 2]" 1
1037 1 108 ILE H 1 108 ILE QG . . 3.560 2.387 1.728 3.239 . 0 0 "[ . 1 . 2]" 1
1038 1 108 ILE H 1 108 ILE MG . . 4.130 3.026 2.605 4.014 . 0 0 "[ . 1 . 2]" 1
1039 1 108 ILE HA 1 108 ILE MG . . 3.300 2.247 2.219 2.334 . 0 0 "[ . 1 . 2]" 1
1040 1 108 ILE HA 1 109 THR H . . 2.850 2.198 2.094 2.535 . 0 0 "[ . 1 . 2]" 1
1041 1 108 ILE HB 1 109 THR H . . 4.760 3.175 2.046 4.153 . 0 0 "[ . 1 . 2]" 1
1042 1 109 THR HA 1 110 ARG H . . 3.520 2.422 2.126 3.545 0.025 16 0 "[ . 1 . 2]" 1
1043 1 109 THR HB 1 110 ARG H . . 4.140 3.083 2.463 4.151 0.011 19 0 "[ . 1 . 2]" 1
1044 1 109 THR MG 1 110 ARG H . . 4.150 3.729 3.508 4.157 0.007 9 0 "[ . 1 . 2]" 1
1045 1 110 ARG H 1 110 ARG HG2 . . 5.340 4.249 3.738 5.001 . 0 0 "[ . 1 . 2]" 1
1046 1 110 ARG H 1 110 ARG QG . . 4.570 3.330 2.854 4.281 . 0 0 "[ . 1 . 2]" 1
1047 1 110 ARG H 1 110 ARG HG3 . . 5.340 3.531 2.922 4.873 . 0 0 "[ . 1 . 2]" 1
1048 1 111 LEU HA 1 112 GLU H . . 2.960 2.299 2.194 3.259 0.299 9 0 "[ . 1 . 2]" 1
1049 1 111 LEU QB 1 112 GLU H . . 2.880 2.760 2.595 3.022 0.142 9 0 "[ . 1 . 2]" 1
1050 1 112 GLU H 1 112 GLU QB . . 3.290 2.491 2.293 3.313 0.023 14 0 "[ . 1 . 2]" 1
1051 1 112 GLU H 1 112 GLU HG2 . . 4.740 4.029 2.328 4.663 . 0 0 "[ . 1 . 2]" 1
1052 1 112 GLU H 1 112 GLU QG . . 4.020 3.127 2.249 4.060 0.040 20 0 "[ . 1 . 2]" 1
1053 1 112 GLU H 1 112 GLU HG3 . . 4.740 3.390 2.638 4.739 . 0 0 "[ . 1 . 2]" 1
1054 1 112 GLU HA 1 113 ASN H . . 2.950 2.243 2.126 2.987 0.037 11 0 "[ . 1 . 2]" 1
1055 1 112 GLU QB 1 113 ASN H . . 3.960 3.091 2.674 3.732 . 0 0 "[ . 1 . 2]" 1
1056 1 113 ASN H 1 113 ASN QB . . 3.660 2.601 2.345 3.347 . 0 0 "[ . 1 . 2]" 1
1057 1 114 THR H 1 114 THR MG . . 3.470 2.777 2.024 3.065 . 0 0 "[ . 1 . 2]" 1
1058 1 120 ASN HA 1 120 ASN QD . . 4.110 3.229 2.777 3.954 . 0 0 "[ . 1 . 2]" 1
1059 1 123 ASP H 1 123 ASP QB . . 3.540 2.565 2.371 3.070 . 0 0 "[ . 1 . 2]" 1
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