NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
520639 |
2la4   |
17502 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2la4
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 1899
_Distance_constraint_stats_list.Viol_count 1039
_Distance_constraint_stats_list.Viol_total 698.386
_Distance_constraint_stats_list.Viol_max 0.203
_Distance_constraint_stats_list.Viol_rms 0.0080
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0336
_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 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LEU 0.111 0.111 5 0 "[ . 1 . 2]"
1 8 PRO 0.257 0.111 5 0 "[ . 1 . 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLN 0.459 0.097 6 0 "[ . 1 . 2]"
1 11 VAL 0.877 0.097 6 0 "[ . 1 . 2]"
1 12 ASN 0.534 0.059 19 0 "[ . 1 . 2]"
1 13 PRO 0.189 0.038 13 0 "[ . 1 . 2]"
1 14 GLN 2.552 0.203 13 0 "[ . 1 . 2]"
1 15 ALA 0.535 0.052 11 0 "[ . 1 . 2]"
1 16 VAL 5.427 0.203 13 0 "[ . 1 . 2]"
1 17 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 HIS 0.366 0.044 11 0 "[ . 1 . 2]"
1 19 ILE 1.662 0.084 11 0 "[ . 1 . 2]"
1 20 ILE 0.131 0.021 18 0 "[ . 1 . 2]"
1 21 ARG 0.011 0.009 13 0 "[ . 1 . 2]"
1 22 SER 0.168 0.027 11 0 "[ . 1 . 2]"
1 23 ALA 0.014 0.014 5 0 "[ . 1 . 2]"
1 24 PRO 0.010 0.010 10 0 "[ . 1 . 2]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ARG 0.002 0.002 4 0 "[ . 1 . 2]"
1 27 VAL 0.227 0.105 5 0 "[ . 1 . 2]"
1 28 THR 0.059 0.010 7 0 "[ . 1 . 2]"
1 29 THR 0.106 0.105 5 0 "[ . 1 . 2]"
1 30 ALA 0.098 0.026 17 0 "[ . 1 . 2]"
1 31 TYR 2.720 0.103 16 0 "[ . 1 . 2]"
1 32 ILE 1.337 0.106 14 0 "[ . 1 . 2]"
1 33 GLY 0.375 0.068 12 0 "[ . 1 . 2]"
1 34 ASN 0.100 0.028 19 0 "[ . 1 . 2]"
1 35 ILE 0.462 0.038 13 0 "[ . 1 . 2]"
1 36 PRO 0.029 0.019 12 0 "[ . 1 . 2]"
1 37 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ALA 0.062 0.012 8 0 "[ . 1 . 2]"
1 40 THR 2.510 0.143 7 0 "[ . 1 . 2]"
1 41 GLU 5.094 0.145 14 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ASP 1.385 0.095 19 0 "[ . 1 . 2]"
1 44 LEU 4.220 0.097 19 0 "[ . 1 . 2]"
1 45 ILE 4.115 0.145 14 0 "[ . 1 . 2]"
1 46 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 1.448 0.097 19 0 "[ . 1 . 2]"
1 48 PHE 1.141 0.046 18 0 "[ . 1 . 2]"
1 49 GLN 0.038 0.035 8 0 "[ . 1 . 2]"
1 50 ASN 0.023 0.013 13 0 "[ . 1 . 2]"
1 51 PHE 0.193 0.017 11 0 "[ . 1 . 2]"
1 52 GLY 0.077 0.038 5 0 "[ . 1 . 2]"
1 53 PHE 1.107 0.077 8 0 "[ . 1 . 2]"
1 54 ILE 0.009 0.006 12 0 "[ . 1 . 2]"
1 55 LEU 0.086 0.024 16 0 "[ . 1 . 2]"
1 56 ASP 0.008 0.008 15 0 "[ . 1 . 2]"
1 57 PHE 5.750 0.123 16 0 "[ . 1 . 2]"
1 58 LYS 0.353 0.076 16 0 "[ . 1 . 2]"
1 59 HIS 3.016 0.115 15 0 "[ . 1 . 2]"
1 60 TYR 0.134 0.076 20 0 "[ . 1 . 2]"
1 61 PRO 0.120 0.027 9 0 "[ . 1 . 2]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LYS 0.041 0.038 9 0 "[ . 1 . 2]"
1 64 GLY 0.009 0.009 16 0 "[ . 1 . 2]"
1 65 CYS 0.071 0.028 15 0 "[ . 1 . 2]"
1 66 CYS 0.494 0.047 20 0 "[ . 1 . 2]"
1 67 PHE 0.209 0.025 20 0 "[ . 1 . 2]"
1 68 ILE 2.597 0.098 20 0 "[ . 1 . 2]"
1 69 LYS 0.037 0.008 15 0 "[ . 1 . 2]"
1 70 TYR 0.168 0.038 5 0 "[ . 1 . 2]"
1 71 ASP 0.062 0.024 16 0 "[ . 1 . 2]"
1 72 THR 0.038 0.016 1 0 "[ . 1 . 2]"
1 73 HIS 0.001 0.001 6 0 "[ . 1 . 2]"
1 74 GLU 0.145 0.021 18 0 "[ . 1 . 2]"
1 75 GLN 0.023 0.016 1 0 "[ . 1 . 2]"
1 76 ALA 0.118 0.023 20 0 "[ . 1 . 2]"
1 77 ALA 0.117 0.028 12 0 "[ . 1 . 2]"
1 78 VAL 0.077 0.013 13 0 "[ . 1 . 2]"
1 79 CYS 0.001 0.001 20 0 "[ . 1 . 2]"
1 80 ILE 5.504 0.188 20 0 "[ . 1 . 2]"
1 81 VAL 3.919 0.188 20 0 "[ . 1 . 2]"
1 82 ALA 0.110 0.022 18 0 "[ . 1 . 2]"
1 83 LEU 0.285 0.046 18 0 "[ . 1 . 2]"
1 84 ALA 0.138 0.034 19 0 "[ . 1 . 2]"
1 85 ASN 0.019 0.017 19 0 "[ . 1 . 2]"
1 86 PHE 0.234 0.046 18 0 "[ . 1 . 2]"
1 87 PRO 0.066 0.019 20 0 "[ . 1 . 2]"
1 88 PHE 0.117 0.019 19 0 "[ . 1 . 2]"
1 89 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ARG 0.003 0.002 9 0 "[ . 1 . 2]"
1 92 ASN 0.085 0.019 20 0 "[ . 1 . 2]"
1 93 LEU 0.345 0.038 1 0 "[ . 1 . 2]"
1 94 ARG 0.118 0.035 14 0 "[ . 1 . 2]"
1 95 THR 1.301 0.106 14 0 "[ . 1 . 2]"
1 96 GLY 2.061 0.103 16 0 "[ . 1 . 2]"
1 97 TRP 0.443 0.086 5 0 "[ . 1 . 2]"
1 98 GLY 0.013 0.013 12 0 "[ . 1 . 2]"
1 99 LYS 0.010 0.006 9 0 "[ . 1 . 2]"
1 100 GLU 0.024 0.016 20 0 "[ . 1 . 2]"
1 101 ARG 0.012 0.006 9 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 THR HB 1 5 ILE H . . 5.500 3.302 1.905 4.467 . 0 0 "[ . 1 . 2]" 1
2 1 4 THR MG 1 5 ILE H . . 4.640 3.436 2.233 4.389 . 0 0 "[ . 1 . 2]" 1
3 1 5 ILE H 1 5 ILE MD . . 5.500 4.472 3.611 5.004 . 0 0 "[ . 1 . 2]" 1
4 1 5 ILE H 1 5 ILE QG . . 4.960 4.105 3.915 4.295 . 0 0 "[ . 1 . 2]" 1
5 1 5 ILE H 1 6 GLY H . . 5.500 3.537 1.986 4.612 . 0 0 "[ . 1 . 2]" 1
6 1 5 ILE HB 1 6 GLY H . . 5.500 3.998 3.728 4.255 . 0 0 "[ . 1 . 2]" 1
7 1 5 ILE QG 1 7 LEU HG . . 3.500 2.923 1.978 3.498 . 0 0 "[ . 1 . 2]" 1
8 1 5 ILE HG12 1 6 GLY H . . 5.500 3.803 1.902 4.743 . 0 0 "[ . 1 . 2]" 1
9 1 5 ILE HG13 1 6 GLY H . . 5.500 3.044 2.014 4.710 . 0 0 "[ . 1 . 2]" 1
10 1 5 ILE MG 1 6 GLY H . . 5.010 2.956 1.837 4.064 . 0 0 "[ . 1 . 2]" 1
11 1 5 ILE MG 1 7 LEU QB . . 4.040 3.479 2.626 4.038 . 0 0 "[ . 1 . 2]" 1
12 1 6 GLY H 1 7 LEU H . . 5.360 3.201 1.954 4.574 . 0 0 "[ . 1 . 2]" 1
13 1 7 LEU H 1 7 LEU QB . . 3.640 2.988 2.110 3.467 . 0 0 "[ . 1 . 2]" 1
14 1 7 LEU H 1 7 LEU MD1 . . 5.130 4.027 2.909 4.717 . 0 0 "[ . 1 . 2]" 1
15 1 7 LEU H 1 7 LEU MD2 . . 5.130 4.106 3.278 4.720 . 0 0 "[ . 1 . 2]" 1
16 1 7 LEU H 1 7 LEU HG . . 4.360 3.275 2.226 4.112 . 0 0 "[ . 1 . 2]" 1
17 1 7 LEU H 1 8 PRO QD . . 5.350 2.683 1.926 4.061 . 0 0 "[ . 1 . 2]" 1
18 1 7 LEU HA 1 7 LEU QD . . 3.980 2.621 1.922 3.446 . 0 0 "[ . 1 . 2]" 1
19 1 7 LEU HA 1 8 PRO QD . . 3.560 2.109 1.930 3.470 . 0 0 "[ . 1 . 2]" 1
20 1 7 LEU HA 1 8 PRO QG . . 5.110 3.983 3.836 5.221 0.111 5 0 "[ . 1 . 2]" 1
21 1 7 LEU QB 1 8 PRO QD . . 4.060 3.578 1.803 3.803 . 0 0 "[ . 1 . 2]" 1
22 1 7 LEU HB2 1 8 PRO HD2 . . 5.500 4.505 2.440 4.849 . 0 0 "[ . 1 . 2]" 1
23 1 7 LEU HB2 1 8 PRO HD3 . . 5.500 4.738 2.129 5.032 . 0 0 "[ . 1 . 2]" 1
24 1 7 LEU HB3 1 8 PRO HD2 . . 5.500 4.291 3.115 4.764 . 0 0 "[ . 1 . 2]" 1
25 1 7 LEU HB3 1 8 PRO HD3 . . 5.500 4.790 2.074 5.034 . 0 0 "[ . 1 . 2]" 1
26 1 7 LEU QD 1 8 PRO QD . . 4.430 3.668 3.055 4.262 . 0 0 "[ . 1 . 2]" 1
27 1 8 PRO HA 1 9 PRO QD . . 3.590 2.073 1.891 2.201 . 0 0 "[ . 1 . 2]" 1
28 1 8 PRO HA 1 9 PRO QG . . 5.030 3.984 3.795 4.120 . 0 0 "[ . 1 . 2]" 1
29 1 8 PRO QB 1 9 PRO QD . . 3.830 2.321 1.922 2.995 . 0 0 "[ . 1 . 2]" 1
30 1 8 PRO QB 1 11 VAL QG . . 4.560 4.171 2.567 4.591 0.031 17 0 "[ . 1 . 2]" 1
31 1 8 PRO QG 1 10 GLN H . . 4.250 3.812 2.797 4.217 . 0 0 "[ . 1 . 2]" 1
32 1 8 PRO QG 1 10 GLN HA . . 5.350 4.992 3.327 5.395 0.045 17 0 "[ . 1 . 2]" 1
33 1 8 PRO QG 1 11 VAL QG . . 5.050 4.101 3.424 5.088 0.038 11 0 "[ . 1 . 2]" 1
34 1 9 PRO QB 1 10 GLN H . . 4.070 3.314 2.812 3.775 . 0 0 "[ . 1 . 2]" 1
35 1 9 PRO HD2 1 10 GLN H . . 5.500 2.768 2.647 3.133 . 0 0 "[ . 1 . 2]" 1
36 1 9 PRO HD3 1 10 GLN H . . 5.500 3.900 3.837 4.100 . 0 0 "[ . 1 . 2]" 1
37 1 9 PRO QG 1 10 GLN H . . 3.970 2.575 1.902 3.402 . 0 0 "[ . 1 . 2]" 1
38 1 10 GLN H 1 10 GLN QB . . 3.690 2.778 2.236 3.507 . 0 0 "[ . 1 . 2]" 1
39 1 10 GLN H 1 10 GLN HE21 . . 5.500 4.239 3.123 4.919 . 0 0 "[ . 1 . 2]" 1
40 1 10 GLN H 1 10 GLN HE22 . . 5.500 5.101 4.636 5.528 0.028 3 0 "[ . 1 . 2]" 1
41 1 10 GLN H 1 10 GLN HG2 . . 5.370 3.892 1.901 5.208 . 0 0 "[ . 1 . 2]" 1
42 1 10 GLN H 1 10 GLN QG . . 4.710 3.272 1.894 4.559 . 0 0 "[ . 1 . 2]" 1
43 1 10 GLN H 1 10 GLN HG3 . . 5.370 3.986 2.528 5.331 . 0 0 "[ . 1 . 2]" 1
44 1 10 GLN H 1 11 VAL H . . 4.780 3.259 1.911 4.544 . 0 0 "[ . 1 . 2]" 1
45 1 10 GLN HA 1 11 VAL MG1 . . 5.500 4.908 3.474 5.597 0.097 6 0 "[ . 1 . 2]" 1
46 1 10 GLN HA 1 11 VAL QG . . 4.670 3.827 3.149 4.706 0.036 16 0 "[ . 1 . 2]" 1
47 1 10 GLN HA 1 11 VAL MG2 . . 5.500 4.277 3.563 5.563 0.063 10 0 "[ . 1 . 2]" 1
48 1 10 GLN QB 1 11 VAL H . . 4.420 2.820 1.877 4.012 . 0 0 "[ . 1 . 2]" 1
49 1 10 GLN HB2 1 11 VAL H . . 5.130 3.315 1.895 4.660 . 0 0 "[ . 1 . 2]" 1
50 1 10 GLN HB3 1 11 VAL H . . 5.130 3.414 1.995 4.538 . 0 0 "[ . 1 . 2]" 1
51 1 10 GLN HG2 1 11 VAL H . . 5.500 4.314 1.896 5.122 . 0 0 "[ . 1 . 2]" 1
52 1 10 GLN HG3 1 11 VAL H . . 5.500 4.188 2.831 5.524 0.024 11 0 "[ . 1 . 2]" 1
53 1 11 VAL H 1 11 VAL QG . . 3.860 2.425 1.848 2.950 . 0 0 "[ . 1 . 2]" 1
54 1 11 VAL HA 1 12 ASN QB . . 5.340 4.204 3.949 4.913 . 0 0 "[ . 1 . 2]" 1
55 1 11 VAL HB 1 78 VAL MG1 . . 5.340 3.073 2.373 4.274 . 0 0 "[ . 1 . 2]" 1
56 1 11 VAL HB 1 78 VAL QG . . 4.220 2.997 2.339 4.045 . 0 0 "[ . 1 . 2]" 1
57 1 11 VAL HB 1 78 VAL MG2 . . 5.340 4.378 3.543 5.348 0.008 10 0 "[ . 1 . 2]" 1
58 1 11 VAL QG 1 12 ASN H . . 3.980 2.479 1.764 3.379 . 0 0 "[ . 1 . 2]" 1
59 1 11 VAL QG 1 12 ASN QB . . 5.280 3.917 2.979 4.656 . 0 0 "[ . 1 . 2]" 1
60 1 11 VAL QG 1 13 PRO HA . . 4.520 4.094 3.463 4.539 0.019 5 0 "[ . 1 . 2]" 1
61 1 11 VAL QG 1 13 PRO QD . . 4.760 4.072 3.398 4.624 . 0 0 "[ . 1 . 2]" 1
62 1 11 VAL QG 1 78 VAL HA . . 3.820 2.368 1.919 3.290 . 0 0 "[ . 1 . 2]" 1
63 1 11 VAL QG 1 78 VAL HB . . 4.670 3.822 3.455 4.284 . 0 0 "[ . 1 . 2]" 1
64 1 11 VAL QG 1 78 VAL QG . . 3.140 1.738 1.596 1.958 . 0 0 "[ . 1 . 2]" 1
65 1 11 VAL QG 1 79 CYS HA . . 4.380 4.018 3.663 4.273 . 0 0 "[ . 1 . 2]" 1
66 1 11 VAL QG 1 82 ALA H . . 3.850 2.866 2.263 3.328 . 0 0 "[ . 1 . 2]" 1
67 1 11 VAL QG 1 82 ALA HA . . 3.710 2.764 1.946 3.386 . 0 0 "[ . 1 . 2]" 1
68 1 11 VAL MG1 1 12 ASN H . . 4.670 2.853 2.053 4.099 . 0 0 "[ . 1 . 2]" 1
69 1 11 VAL MG1 1 12 ASN HA . . 5.500 4.474 3.632 5.536 0.036 9 0 "[ . 1 . 2]" 1
70 1 11 VAL MG1 1 51 PHE QE . . 5.500 4.451 3.518 5.184 . 0 0 "[ . 1 . 2]" 1
71 1 11 VAL MG1 1 78 VAL HA . . 4.590 2.949 1.924 4.439 . 0 0 "[ . 1 . 2]" 1
72 1 11 VAL MG1 1 79 CYS HA . . 5.000 4.521 4.111 4.971 . 0 0 "[ . 1 . 2]" 1
73 1 11 VAL MG1 1 82 ALA H . . 4.500 3.198 2.675 4.323 . 0 0 "[ . 1 . 2]" 1
74 1 11 VAL MG1 1 82 ALA HA . . 4.360 3.380 1.951 4.370 0.010 13 0 "[ . 1 . 2]" 1
75 1 11 VAL MG2 1 12 ASN H . . 4.670 3.480 1.792 4.244 . 0 0 "[ . 1 . 2]" 1
76 1 11 VAL MG2 1 12 ASN HA . . 5.500 4.842 3.908 5.559 0.059 19 0 "[ . 1 . 2]" 1
77 1 11 VAL MG2 1 51 PHE QE . . 5.500 4.019 2.905 5.230 . 0 0 "[ . 1 . 2]" 1
78 1 11 VAL MG2 1 78 VAL HA . . 4.590 3.511 1.968 4.276 . 0 0 "[ . 1 . 2]" 1
79 1 11 VAL MG2 1 79 CYS HA . . 5.000 4.559 3.920 4.997 . 0 0 "[ . 1 . 2]" 1
80 1 11 VAL MG2 1 82 ALA H . . 4.500 3.607 2.271 4.474 . 0 0 "[ . 1 . 2]" 1
81 1 11 VAL MG2 1 82 ALA HA . . 4.360 3.578 2.179 4.382 0.022 18 0 "[ . 1 . 2]" 1
82 1 12 ASN H 1 12 ASN QB . . 3.570 2.364 2.059 2.945 . 0 0 "[ . 1 . 2]" 1
83 1 12 ASN H 1 12 ASN QD . . 5.340 4.289 2.290 4.885 . 0 0 "[ . 1 . 2]" 1
84 1 12 ASN H 1 14 GLN H . . 5.500 5.167 4.875 5.464 . 0 0 "[ . 1 . 2]" 1
85 1 12 ASN H 1 15 ALA MB . . 5.040 4.609 3.928 5.068 0.028 13 0 "[ . 1 . 2]" 1
86 1 12 ASN HA 1 13 PRO QB . . 5.230 4.556 4.535 4.599 . 0 0 "[ . 1 . 2]" 1
87 1 12 ASN HA 1 13 PRO HD2 . . 4.040 2.047 1.917 2.276 . 0 0 "[ . 1 . 2]" 1
88 1 12 ASN HA 1 13 PRO HD3 . . 4.040 2.321 2.252 2.446 . 0 0 "[ . 1 . 2]" 1
89 1 12 ASN HA 1 13 PRO HG2 . . 5.500 4.229 4.123 4.412 . 0 0 "[ . 1 . 2]" 1
90 1 12 ASN HA 1 13 PRO HG3 . . 5.500 4.342 4.314 4.403 . 0 0 "[ . 1 . 2]" 1
91 1 12 ASN HA 1 14 GLN H . . 5.500 3.605 3.403 3.846 . 0 0 "[ . 1 . 2]" 1
92 1 12 ASN HA 1 15 ALA MB . . 5.500 5.464 5.160 5.544 0.044 15 0 "[ . 1 . 2]" 1
93 1 12 ASN QB 1 13 PRO QD . . 4.750 3.185 2.243 3.614 . 0 0 "[ . 1 . 2]" 1
94 1 12 ASN QB 1 14 GLN H . . 5.340 2.855 2.260 3.732 . 0 0 "[ . 1 . 2]" 1
95 1 12 ASN QB 1 15 ALA H . . 4.900 2.913 2.702 3.499 . 0 0 "[ . 1 . 2]" 1
96 1 12 ASN QB 1 15 ALA MB . . 3.770 3.055 2.582 3.786 0.016 10 0 "[ . 1 . 2]" 1
97 1 12 ASN QB 1 81 VAL QG . . 5.210 3.707 2.761 4.671 . 0 0 "[ . 1 . 2]" 1
98 1 12 ASN QD 1 13 PRO QD . . 4.760 3.659 2.061 4.511 . 0 0 "[ . 1 . 2]" 1
99 1 12 ASN QD 1 14 GLN H . . 5.340 3.781 2.535 5.123 . 0 0 "[ . 1 . 2]" 1
100 1 12 ASN QD 1 14 GLN QB . . 5.180 3.255 1.941 5.135 . 0 0 "[ . 1 . 2]" 1
101 1 13 PRO HA 1 16 VAL H . . 4.960 3.741 3.655 3.830 . 0 0 "[ . 1 . 2]" 1
102 1 13 PRO QD 1 14 GLN H . . 4.630 2.706 2.700 2.712 . 0 0 "[ . 1 . 2]" 1
103 1 13 PRO QD 1 16 VAL H . . 5.350 5.327 5.263 5.388 0.038 13 0 "[ . 1 . 2]" 1
104 1 13 PRO HD2 1 14 GLN H . . 5.500 2.759 2.753 2.767 . 0 0 "[ . 1 . 2]" 1
105 1 13 PRO HD3 1 14 GLN H . . 5.500 3.903 3.899 3.906 . 0 0 "[ . 1 . 2]" 1
106 1 14 GLN H 1 14 GLN HB2 . . 4.140 2.181 2.077 2.461 . 0 0 "[ . 1 . 2]" 1
107 1 14 GLN H 1 14 GLN QB . . 3.580 2.139 2.053 2.421 . 0 0 "[ . 1 . 2]" 1
108 1 14 GLN H 1 14 GLN HB3 . . 4.140 3.221 2.639 3.593 . 0 0 "[ . 1 . 2]" 1
109 1 14 GLN H 1 14 GLN QG . . 4.490 3.441 2.263 4.053 . 0 0 "[ . 1 . 2]" 1
110 1 14 GLN H 1 15 ALA H . . 4.090 2.937 2.886 2.973 . 0 0 "[ . 1 . 2]" 1
111 1 14 GLN H 1 15 ALA HA . . 5.500 5.409 5.366 5.443 . 0 0 "[ . 1 . 2]" 1
112 1 14 GLN H 1 15 ALA MB . . 5.300 4.401 4.312 4.478 . 0 0 "[ . 1 . 2]" 1
113 1 14 GLN H 1 16 VAL H . . 5.410 3.599 3.516 3.710 . 0 0 "[ . 1 . 2]" 1
114 1 14 GLN H 1 16 VAL MG1 . . 5.500 5.623 5.576 5.703 0.203 13 0 "[ . 1 . 2]" 1
115 1 14 GLN H 1 16 VAL MG2 . . 5.500 4.820 4.652 5.019 . 0 0 "[ . 1 . 2]" 1
116 1 14 GLN H 1 17 ASP H . . 5.500 4.446 4.280 4.626 . 0 0 "[ . 1 . 2]" 1
117 1 14 GLN HA 1 14 GLN QE . . 4.600 3.764 2.141 4.558 . 0 0 "[ . 1 . 2]" 1
118 1 14 GLN HA 1 17 ASP H . . 4.560 3.476 3.253 3.614 . 0 0 "[ . 1 . 2]" 1
119 1 14 GLN HA 1 17 ASP HB2 . . 4.810 3.324 3.114 3.547 . 0 0 "[ . 1 . 2]" 1
120 1 14 GLN HA 1 17 ASP HB3 . . 4.810 3.259 2.858 3.615 . 0 0 "[ . 1 . 2]" 1
121 1 14 GLN HA 1 18 HIS H . . 5.410 5.179 4.771 5.438 0.028 12 0 "[ . 1 . 2]" 1
122 1 14 GLN QB 1 15 ALA H . . 4.080 2.029 1.870 2.167 . 0 0 "[ . 1 . 2]" 1
123 1 14 GLN HB2 1 15 ALA H . . 4.680 2.737 1.982 3.424 . 0 0 "[ . 1 . 2]" 1
124 1 14 GLN HB3 1 15 ALA H . . 4.680 2.213 1.883 2.946 . 0 0 "[ . 1 . 2]" 1
125 1 14 GLN QG 1 15 ALA H . . 5.340 3.891 3.171 4.086 . 0 0 "[ . 1 . 2]" 1
126 1 15 ALA HA 1 17 ASP H . . 5.500 4.164 4.058 4.283 . 0 0 "[ . 1 . 2]" 1
127 1 15 ALA HA 1 18 HIS H . . 4.800 3.858 3.756 3.992 . 0 0 "[ . 1 . 2]" 1
128 1 15 ALA HA 1 18 HIS QB . . 4.330 3.586 3.538 3.669 . 0 0 "[ . 1 . 2]" 1
129 1 15 ALA HA 1 18 HIS HD2 . . 5.500 5.490 5.298 5.519 0.019 16 0 "[ . 1 . 2]" 1
130 1 15 ALA HA 1 19 ILE H . . 5.500 5.474 5.332 5.552 0.052 11 0 "[ . 1 . 2]" 1
131 1 15 ALA HA 1 81 VAL QG . . 5.080 4.571 4.010 4.783 . 0 0 "[ . 1 . 2]" 1
132 1 15 ALA MB 1 16 VAL H . . 4.140 2.888 2.789 2.957 . 0 0 "[ . 1 . 2]" 1
133 1 15 ALA MB 1 16 VAL QG . . 4.770 3.376 3.272 3.434 . 0 0 "[ . 1 . 2]" 1
134 1 15 ALA MB 1 17 ASP H . . 5.500 4.546 4.450 4.594 . 0 0 "[ . 1 . 2]" 1
135 1 15 ALA MB 1 18 HIS HD2 . . 5.500 5.184 4.932 5.475 . 0 0 "[ . 1 . 2]" 1
136 1 15 ALA MB 1 81 VAL QG . . 3.460 2.626 2.072 2.781 . 0 0 "[ . 1 . 2]" 1
137 1 16 VAL H 1 16 VAL HB . . 3.980 2.312 2.288 2.344 . 0 0 "[ . 1 . 2]" 1
138 1 16 VAL H 1 16 VAL MG1 . . 3.730 3.686 3.661 3.705 . 0 0 "[ . 1 . 2]" 1
139 1 16 VAL H 1 16 VAL QG . . 3.230 2.600 2.457 2.723 . 0 0 "[ . 1 . 2]" 1
140 1 16 VAL H 1 16 VAL MG2 . . 3.730 2.659 2.494 2.807 . 0 0 "[ . 1 . 2]" 1
141 1 16 VAL H 1 17 ASP H . . 4.230 2.434 2.328 2.574 . 0 0 "[ . 1 . 2]" 1
142 1 16 VAL H 1 17 ASP HB2 . . 5.500 4.831 4.710 5.003 . 0 0 "[ . 1 . 2]" 1
143 1 16 VAL H 1 17 ASP HB3 . . 5.500 4.599 4.388 4.831 . 0 0 "[ . 1 . 2]" 1
144 1 16 VAL H 1 81 VAL HB . . 4.920 4.874 4.485 4.999 0.079 15 0 "[ . 1 . 2]" 1
145 1 16 VAL H 1 81 VAL MG1 . . 5.260 4.411 4.107 4.649 . 0 0 "[ . 1 . 2]" 1
146 1 16 VAL H 1 81 VAL QG . . 4.030 3.502 3.223 3.752 . 0 0 "[ . 1 . 2]" 1
147 1 16 VAL H 1 81 VAL MG2 . . 5.260 3.704 3.299 4.112 . 0 0 "[ . 1 . 2]" 1
148 1 16 VAL HA 1 16 VAL MG1 . . 3.430 2.562 2.531 2.581 . 0 0 "[ . 1 . 2]" 1
149 1 16 VAL HA 1 16 VAL QG . . 2.920 2.104 2.058 2.146 . 0 0 "[ . 1 . 2]" 1
150 1 16 VAL HA 1 16 VAL MG2 . . 3.430 2.238 2.173 2.302 . 0 0 "[ . 1 . 2]" 1
151 1 16 VAL HA 1 19 ILE H . . 5.150 3.252 3.083 3.400 . 0 0 "[ . 1 . 2]" 1
152 1 16 VAL HA 1 19 ILE HB . . 3.840 3.324 3.065 3.491 . 0 0 "[ . 1 . 2]" 1
153 1 16 VAL HA 1 19 ILE MD . . 5.500 3.893 2.338 4.516 . 0 0 "[ . 1 . 2]" 1
154 1 16 VAL HA 1 19 ILE QG . . 5.340 2.423 1.950 3.243 . 0 0 "[ . 1 . 2]" 1
155 1 16 VAL HA 1 19 ILE MG . . 5.150 4.419 4.138 4.578 . 0 0 "[ . 1 . 2]" 1
156 1 16 VAL HA 1 20 ILE H . . 5.500 4.909 4.704 5.038 . 0 0 "[ . 1 . 2]" 1
157 1 16 VAL HA 1 20 ILE MD . . 5.500 5.006 4.730 5.370 . 0 0 "[ . 1 . 2]" 1
158 1 16 VAL HA 1 81 VAL QG . . 3.220 2.681 2.124 2.990 . 0 0 "[ . 1 . 2]" 1
159 1 16 VAL HB 1 17 ASP H . . 4.170 2.965 2.940 2.997 . 0 0 "[ . 1 . 2]" 1
160 1 16 VAL HB 1 17 ASP HB2 . . 5.500 4.879 4.775 5.002 . 0 0 "[ . 1 . 2]" 1
161 1 16 VAL HB 1 17 ASP HB3 . . 5.500 5.361 5.180 5.493 . 0 0 "[ . 1 . 2]" 1
162 1 16 VAL HB 1 77 ALA MB . . 5.170 3.978 3.820 4.463 . 0 0 "[ . 1 . 2]" 1
163 1 16 VAL QG 1 17 ASP H . . 4.080 3.179 3.141 3.224 . 0 0 "[ . 1 . 2]" 1
164 1 16 VAL QG 1 17 ASP HA . . 5.440 3.154 3.108 3.220 . 0 0 "[ . 1 . 2]" 1
165 1 16 VAL QG 1 19 ILE H . . 4.870 3.795 3.728 3.886 . 0 0 "[ . 1 . 2]" 1
166 1 16 VAL QG 1 19 ILE HB . . 3.610 2.805 2.633 2.967 . 0 0 "[ . 1 . 2]" 1
167 1 16 VAL QG 1 19 ILE MD . . 5.010 4.028 3.329 4.398 . 0 0 "[ . 1 . 2]" 1
168 1 16 VAL QG 1 19 ILE QG . . 3.290 2.924 2.647 3.256 . 0 0 "[ . 1 . 2]" 1
169 1 16 VAL QG 1 20 ILE H . . 5.380 3.734 3.541 3.887 . 0 0 "[ . 1 . 2]" 1
170 1 16 VAL QG 1 20 ILE HB . . 5.430 4.884 4.462 5.146 . 0 0 "[ . 1 . 2]" 1
171 1 16 VAL QG 1 20 ILE QG . . 4.450 3.197 2.732 3.337 . 0 0 "[ . 1 . 2]" 1
172 1 16 VAL QG 1 77 ALA HA . . 5.170 2.954 2.701 3.332 . 0 0 "[ . 1 . 2]" 1
173 1 16 VAL QG 1 77 ALA MB . . 3.480 1.727 1.644 2.090 . 0 0 "[ . 1 . 2]" 1
174 1 16 VAL QG 1 78 VAL H . . 4.730 3.268 3.014 3.528 . 0 0 "[ . 1 . 2]" 1
175 1 16 VAL QG 1 78 VAL HA . . 3.420 2.351 2.082 2.626 . 0 0 "[ . 1 . 2]" 1
176 1 16 VAL QG 1 79 CYS H . . 5.440 4.518 4.215 4.714 . 0 0 "[ . 1 . 2]" 1
177 1 16 VAL QG 1 80 ILE MG . . 3.190 3.206 3.075 3.290 0.100 14 0 "[ . 1 . 2]" 1
178 1 16 VAL QG 1 81 VAL H . . 3.910 2.718 2.519 2.938 . 0 0 "[ . 1 . 2]" 1
179 1 16 VAL MG1 1 17 ASP H . . 4.650 3.307 3.255 3.376 . 0 0 "[ . 1 . 2]" 1
180 1 16 VAL MG1 1 19 ILE HG12 . . 5.530 3.846 3.397 4.279 . 0 0 "[ . 1 . 2]" 1
181 1 16 VAL MG1 1 19 ILE HG13 . . 5.530 3.500 3.130 4.896 . 0 0 "[ . 1 . 2]" 1
182 1 16 VAL MG1 1 77 ALA MB . . 4.160 1.731 1.647 2.098 . 0 0 "[ . 1 . 2]" 1
183 1 16 VAL MG1 1 78 VAL HA . . 4.290 2.806 2.328 3.221 . 0 0 "[ . 1 . 2]" 1
184 1 16 VAL MG1 1 80 ILE MG . . 3.690 3.766 3.712 3.842 0.152 13 0 "[ . 1 . 2]" 1
185 1 16 VAL MG2 1 17 ASP H . . 4.650 4.122 4.088 4.147 . 0 0 "[ . 1 . 2]" 1
186 1 16 VAL MG2 1 19 ILE HG12 . . 5.530 4.067 3.635 4.612 . 0 0 "[ . 1 . 2]" 1
187 1 16 VAL MG2 1 19 ILE HG13 . . 5.530 3.647 3.060 5.465 . 0 0 "[ . 1 . 2]" 1
188 1 16 VAL MG2 1 77 ALA MB . . 4.160 3.534 3.329 3.916 . 0 0 "[ . 1 . 2]" 1
189 1 16 VAL MG2 1 78 VAL HA . . 4.290 2.537 2.173 2.783 . 0 0 "[ . 1 . 2]" 1
190 1 16 VAL MG2 1 80 ILE MG . . 3.690 3.484 3.251 3.666 . 0 0 "[ . 1 . 2]" 1
191 1 17 ASP H 1 17 ASP HB2 . . 4.180 2.604 2.494 2.772 . 0 0 "[ . 1 . 2]" 1
192 1 17 ASP H 1 17 ASP QB . . 3.590 2.244 2.205 2.256 . 0 0 "[ . 1 . 2]" 1
193 1 17 ASP H 1 17 ASP HB3 . . 4.180 2.463 2.314 2.568 . 0 0 "[ . 1 . 2]" 1
194 1 17 ASP H 1 18 HIS H . . 4.510 2.767 2.746 2.814 . 0 0 "[ . 1 . 2]" 1
195 1 17 ASP H 1 18 HIS QB . . 5.340 4.448 4.422 4.485 . 0 0 "[ . 1 . 2]" 1
196 1 17 ASP H 1 19 ILE H . . 5.500 4.180 4.110 4.294 . 0 0 "[ . 1 . 2]" 1
197 1 17 ASP H 1 20 ILE MD . . 5.500 4.158 3.863 4.413 . 0 0 "[ . 1 . 2]" 1
198 1 17 ASP HA 1 19 ILE H . . 5.500 4.146 4.003 4.235 . 0 0 "[ . 1 . 2]" 1
199 1 17 ASP HA 1 20 ILE H . . 5.200 3.638 3.374 3.941 . 0 0 "[ . 1 . 2]" 1
200 1 17 ASP HA 1 20 ILE HB . . 4.190 3.634 3.077 3.980 . 0 0 "[ . 1 . 2]" 1
201 1 17 ASP HA 1 20 ILE MD . . 4.430 2.094 1.921 2.261 . 0 0 "[ . 1 . 2]" 1
202 1 17 ASP HA 1 20 ILE MG . . 5.160 4.830 4.398 5.127 . 0 0 "[ . 1 . 2]" 1
203 1 17 ASP QB 1 18 HIS H . . 4.350 2.680 2.511 2.791 . 0 0 "[ . 1 . 2]" 1
204 1 17 ASP QB 1 19 ILE H . . 5.340 4.722 4.609 4.830 . 0 0 "[ . 1 . 2]" 1
205 1 17 ASP HB2 1 18 HIS H . . 5.040 3.999 3.900 4.103 . 0 0 "[ . 1 . 2]" 1
206 1 17 ASP HB3 1 18 HIS H . . 5.040 2.723 2.542 2.840 . 0 0 "[ . 1 . 2]" 1
207 1 18 HIS H 1 18 HIS QB . . 3.500 2.120 2.105 2.139 . 0 0 "[ . 1 . 2]" 1
208 1 18 HIS H 1 18 HIS HD2 . . 5.500 4.456 4.328 4.583 . 0 0 "[ . 1 . 2]" 1
209 1 18 HIS H 1 19 ILE H . . 4.570 2.627 2.508 2.766 . 0 0 "[ . 1 . 2]" 1
210 1 18 HIS H 1 20 ILE H . . 5.500 4.500 4.321 4.605 . 0 0 "[ . 1 . 2]" 1
211 1 18 HIS HA 1 21 ARG H . . 5.500 3.489 3.380 3.717 . 0 0 "[ . 1 . 2]" 1
212 1 18 HIS HA 1 21 ARG QB . . 5.340 2.816 2.463 3.792 . 0 0 "[ . 1 . 2]" 1
213 1 18 HIS QB 1 19 ILE H . . 4.360 2.945 2.826 2.990 . 0 0 "[ . 1 . 2]" 1
214 1 18 HIS QB 1 19 ILE MD . . 5.340 4.173 2.951 4.629 . 0 0 "[ . 1 . 2]" 1
215 1 18 HIS QB 1 20 ILE H . . 5.340 5.174 5.039 5.318 . 0 0 "[ . 1 . 2]" 1
216 1 18 HIS HD2 1 19 ILE HA . . 5.070 3.322 3.048 3.762 . 0 0 "[ . 1 . 2]" 1
217 1 18 HIS HD2 1 19 ILE HB . . 5.500 4.979 4.674 5.198 . 0 0 "[ . 1 . 2]" 1
218 1 18 HIS HD2 1 19 ILE MD . . 4.190 2.385 1.875 3.026 . 0 0 "[ . 1 . 2]" 1
219 1 18 HIS HD2 1 19 ILE HG12 . . 4.600 3.094 2.479 4.644 0.044 11 0 "[ . 1 . 2]" 1
220 1 18 HIS HD2 1 19 ILE QG . . 3.890 3.014 2.458 3.898 0.008 11 0 "[ . 1 . 2]" 1
221 1 18 HIS HD2 1 19 ILE HG13 . . 4.600 4.473 4.045 4.613 0.013 13 0 "[ . 1 . 2]" 1
222 1 18 HIS HD2 1 22 SER QB . . 5.270 5.156 4.781 5.278 0.008 18 0 "[ . 1 . 2]" 1
223 1 18 HIS HD2 1 81 VAL QG . . 5.440 5.013 4.675 5.219 . 0 0 "[ . 1 . 2]" 1
224 1 19 ILE H 1 19 ILE HB . . 3.940 2.505 2.344 2.639 . 0 0 "[ . 1 . 2]" 1
225 1 19 ILE H 1 19 ILE MD . . 5.050 3.262 1.966 3.668 . 0 0 "[ . 1 . 2]" 1
226 1 19 ILE H 1 19 ILE HG12 . . 4.830 2.225 1.913 3.637 . 0 0 "[ . 1 . 2]" 1
227 1 19 ILE H 1 19 ILE QG . . 4.070 2.193 1.904 3.331 . 0 0 "[ . 1 . 2]" 1
228 1 19 ILE H 1 19 ILE HG13 . . 4.830 3.590 3.445 3.866 . 0 0 "[ . 1 . 2]" 1
229 1 19 ILE H 1 20 ILE H . . 4.560 2.810 2.651 2.923 . 0 0 "[ . 1 . 2]" 1
230 1 19 ILE H 1 20 ILE HB . . 5.500 4.986 4.705 5.132 . 0 0 "[ . 1 . 2]" 1
231 1 19 ILE H 1 77 ALA MB . . 4.800 4.599 4.079 4.761 . 0 0 "[ . 1 . 2]" 1
232 1 19 ILE H 1 81 VAL QG . . 5.080 4.893 4.456 5.121 0.041 7 0 "[ . 1 . 2]" 1
233 1 19 ILE HA 1 19 ILE MD . . 3.760 2.005 1.934 2.254 . 0 0 "[ . 1 . 2]" 1
234 1 19 ILE HA 1 22 SER H . . 5.100 3.742 3.539 3.957 . 0 0 "[ . 1 . 2]" 1
235 1 19 ILE HA 1 97 TRP HD1 . . 5.500 4.590 3.728 5.267 . 0 0 "[ . 1 . 2]" 1
236 1 19 ILE HA 1 97 TRP HE1 . . 5.180 3.689 3.363 4.022 . 0 0 "[ . 1 . 2]" 1
237 1 19 ILE HB 1 20 ILE H . . 4.720 2.441 2.292 2.687 . 0 0 "[ . 1 . 2]" 1
238 1 19 ILE HB 1 77 ALA HA . . 5.370 3.745 3.347 4.010 . 0 0 "[ . 1 . 2]" 1
239 1 19 ILE HB 1 77 ALA MB . . 4.680 2.842 2.361 3.055 . 0 0 "[ . 1 . 2]" 1
240 1 19 ILE HB 1 80 ILE MG . . 5.500 3.474 3.212 3.724 . 0 0 "[ . 1 . 2]" 1
241 1 19 ILE HB 1 97 TRP HE1 . . 5.500 3.928 3.549 4.332 . 0 0 "[ . 1 . 2]" 1
242 1 19 ILE MD 1 19 ILE MG . . 3.810 2.011 1.885 3.229 . 0 0 "[ . 1 . 2]" 1
243 1 19 ILE MD 1 20 ILE H . . 5.500 4.599 4.031 4.722 . 0 0 "[ . 1 . 2]" 1
244 1 19 ILE MD 1 22 SER H . . 5.500 5.168 4.847 5.356 . 0 0 "[ . 1 . 2]" 1
245 1 19 ILE MD 1 22 SER HB2 . . 5.500 4.232 3.373 4.846 . 0 0 "[ . 1 . 2]" 1
246 1 19 ILE MD 1 22 SER HB3 . . 5.500 4.494 3.753 4.875 . 0 0 "[ . 1 . 2]" 1
247 1 19 ILE MD 1 77 ALA HA . . 5.500 5.198 4.930 5.513 0.013 20 0 "[ . 1 . 2]" 1
248 1 19 ILE MD 1 80 ILE HB . . 4.790 4.330 4.008 4.874 0.084 11 0 "[ . 1 . 2]" 1
249 1 19 ILE MD 1 80 ILE MD . . 5.500 4.033 3.469 4.756 . 0 0 "[ . 1 . 2]" 1
250 1 19 ILE MD 1 80 ILE QG . . 5.340 3.953 3.351 4.898 . 0 0 "[ . 1 . 2]" 1
251 1 19 ILE MD 1 81 VAL H . . 5.500 4.842 4.617 5.031 . 0 0 "[ . 1 . 2]" 1
252 1 19 ILE MD 1 97 TRP HD1 . . 5.500 4.658 3.662 5.236 . 0 0 "[ . 1 . 2]" 1
253 1 19 ILE MD 1 97 TRP HE1 . . 5.310 4.376 3.571 4.981 . 0 0 "[ . 1 . 2]" 1
254 1 19 ILE QG 1 81 VAL H . . 3.870 3.893 3.797 3.954 0.084 13 0 "[ . 1 . 2]" 1
255 1 19 ILE HG12 1 20 ILE H . . 5.500 4.265 4.018 4.849 . 0 0 "[ . 1 . 2]" 1
256 1 19 ILE HG13 1 20 ILE H . . 5.500 4.797 4.654 5.026 . 0 0 "[ . 1 . 2]" 1
257 1 19 ILE MG 1 20 ILE H . . 5.360 3.165 2.757 3.487 . 0 0 "[ . 1 . 2]" 1
258 1 19 ILE MG 1 20 ILE HA . . 5.350 3.258 2.864 3.631 . 0 0 "[ . 1 . 2]" 1
259 1 19 ILE MG 1 22 SER H . . 5.500 4.088 3.952 4.207 . 0 0 "[ . 1 . 2]" 1
260 1 19 ILE MG 1 77 ALA H . . 5.500 4.983 4.164 5.370 . 0 0 "[ . 1 . 2]" 1
261 1 19 ILE MG 1 77 ALA HA . . 4.020 2.844 2.073 3.295 . 0 0 "[ . 1 . 2]" 1
262 1 19 ILE MG 1 77 ALA MB . . 3.430 3.139 2.254 3.458 0.028 12 0 "[ . 1 . 2]" 1
263 1 19 ILE MG 1 80 ILE MD . . 4.500 2.027 1.687 2.955 . 0 0 "[ . 1 . 2]" 1
264 1 19 ILE MG 1 80 ILE MG . . 3.390 1.882 1.733 2.404 . 0 0 "[ . 1 . 2]" 1
265 1 19 ILE MG 1 81 VAL H . . 4.620 4.562 4.290 4.687 0.067 16 0 "[ . 1 . 2]" 1
266 1 19 ILE MG 1 97 TRP HD1 . . 4.770 3.090 2.685 3.593 . 0 0 "[ . 1 . 2]" 1
267 1 19 ILE MG 1 97 TRP HE1 . . 4.170 1.913 1.682 2.215 . 0 0 "[ . 1 . 2]" 1
268 1 19 ILE MG 1 97 TRP HH2 . . 5.500 4.520 3.965 5.260 . 0 0 "[ . 1 . 2]" 1
269 1 19 ILE MG 1 97 TRP HZ2 . . 3.710 2.839 2.115 3.667 . 0 0 "[ . 1 . 2]" 1
270 1 20 ILE H 1 20 ILE HB . . 4.150 2.597 2.436 2.670 . 0 0 "[ . 1 . 2]" 1
271 1 20 ILE H 1 20 ILE MD . . 4.840 2.934 2.619 3.300 . 0 0 "[ . 1 . 2]" 1
272 1 20 ILE H 1 20 ILE HG12 . . 4.990 3.599 3.486 3.768 . 0 0 "[ . 1 . 2]" 1
273 1 20 ILE H 1 20 ILE QG . . 4.230 2.060 1.918 2.315 . 0 0 "[ . 1 . 2]" 1
274 1 20 ILE H 1 20 ILE HG13 . . 4.990 2.073 1.927 2.336 . 0 0 "[ . 1 . 2]" 1
275 1 20 ILE H 1 21 ARG H . . 4.910 2.781 2.693 2.900 . 0 0 "[ . 1 . 2]" 1
276 1 20 ILE H 1 77 ALA MB . . 5.150 3.390 3.076 3.674 . 0 0 "[ . 1 . 2]" 1
277 1 20 ILE H 1 97 TRP HZ2 . . 5.500 3.945 3.592 4.469 . 0 0 "[ . 1 . 2]" 1
278 1 20 ILE HA 1 20 ILE MD . . 4.320 3.862 3.809 3.904 . 0 0 "[ . 1 . 2]" 1
279 1 20 ILE HA 1 22 SER H . . 5.500 3.488 3.305 3.799 . 0 0 "[ . 1 . 2]" 1
280 1 20 ILE HA 1 23 ALA H . . 5.500 4.024 3.106 4.741 . 0 0 "[ . 1 . 2]" 1
281 1 20 ILE HA 1 73 HIS HD2 . . 5.030 4.402 3.782 5.029 . 0 0 "[ . 1 . 2]" 1
282 1 20 ILE HA 1 77 ALA MB . . 4.620 3.995 3.248 4.372 . 0 0 "[ . 1 . 2]" 1
283 1 20 ILE HA 1 97 TRP HE1 . . 5.500 2.488 1.889 3.204 . 0 0 "[ . 1 . 2]" 1
284 1 20 ILE HA 1 97 TRP HH2 . . 5.500 4.623 4.014 5.102 . 0 0 "[ . 1 . 2]" 1
285 1 20 ILE HA 1 97 TRP HZ2 . . 4.170 2.395 1.988 2.899 . 0 0 "[ . 1 . 2]" 1
286 1 20 ILE HB 1 21 ARG H . . 4.380 2.705 2.418 2.991 . 0 0 "[ . 1 . 2]" 1
287 1 20 ILE HB 1 22 SER H . . 5.500 4.697 4.529 4.860 . 0 0 "[ . 1 . 2]" 1
288 1 20 ILE HB 1 73 HIS HD2 . . 5.500 4.713 3.917 5.301 . 0 0 "[ . 1 . 2]" 1
289 1 20 ILE HB 1 77 ALA MB . . 5.300 4.411 4.030 4.790 . 0 0 "[ . 1 . 2]" 1
290 1 20 ILE MD 1 20 ILE MG . . 3.420 2.525 2.202 2.692 . 0 0 "[ . 1 . 2]" 1
291 1 20 ILE MD 1 73 HIS HD2 . . 4.170 3.455 2.720 3.993 . 0 0 "[ . 1 . 2]" 1
292 1 20 ILE MD 1 74 GLU H . . 5.500 5.043 4.269 5.387 . 0 0 "[ . 1 . 2]" 1
293 1 20 ILE MD 1 74 GLU HA . . 4.300 3.029 2.045 3.545 . 0 0 "[ . 1 . 2]" 1
294 1 20 ILE MD 1 74 GLU QB . . 5.190 4.078 2.314 4.542 . 0 0 "[ . 1 . 2]" 1
295 1 20 ILE MD 1 74 GLU QG . . 4.230 2.824 2.264 4.234 0.004 9 0 "[ . 1 . 2]" 1
296 1 20 ILE MD 1 77 ALA H . . 5.500 4.694 3.944 5.206 . 0 0 "[ . 1 . 2]" 1
297 1 20 ILE MD 1 77 ALA MB . . 3.720 2.455 2.060 2.787 . 0 0 "[ . 1 . 2]" 1
298 1 20 ILE MD 1 97 TRP HZ2 . . 5.500 4.231 3.803 4.887 . 0 0 "[ . 1 . 2]" 1
299 1 20 ILE QG 1 21 ARG H . . 4.180 4.115 4.051 4.181 0.001 19 0 "[ . 1 . 2]" 1
300 1 20 ILE QG 1 73 HIS HD2 . . 4.790 2.499 1.989 3.125 . 0 0 "[ . 1 . 2]" 1
301 1 20 ILE QG 1 74 GLU H . . 5.320 5.076 4.306 5.332 0.012 19 0 "[ . 1 . 2]" 1
302 1 20 ILE QG 1 74 GLU HA . . 4.560 3.312 2.168 3.665 . 0 0 "[ . 1 . 2]" 1
303 1 20 ILE QG 1 74 GLU QB . . 5.180 4.887 3.385 5.201 0.021 18 0 "[ . 1 . 2]" 1
304 1 20 ILE QG 1 74 GLU QG . . 4.890 3.986 3.399 4.905 0.015 17 0 "[ . 1 . 2]" 1
305 1 20 ILE QG 1 77 ALA H . . 5.060 4.203 3.695 4.626 . 0 0 "[ . 1 . 2]" 1
306 1 20 ILE QG 1 77 ALA MB . . 4.110 2.118 1.818 2.416 . 0 0 "[ . 1 . 2]" 1
307 1 20 ILE QG 1 97 TRP HZ2 . . 5.340 2.580 2.134 3.239 . 0 0 "[ . 1 . 2]" 1
308 1 20 ILE MG 1 21 ARG H . . 5.130 3.537 2.994 3.808 . 0 0 "[ . 1 . 2]" 1
309 1 20 ILE MG 1 21 ARG HA . . 5.200 3.565 3.028 3.859 . 0 0 "[ . 1 . 2]" 1
310 1 20 ILE MG 1 21 ARG QG . . 5.100 4.660 4.173 5.109 0.009 13 0 "[ . 1 . 2]" 1
311 1 20 ILE MG 1 73 HIS QB . . 5.340 3.915 3.188 4.536 . 0 0 "[ . 1 . 2]" 1
312 1 20 ILE MG 1 73 HIS HD2 . . 3.670 2.287 1.809 3.214 . 0 0 "[ . 1 . 2]" 1
313 1 20 ILE MG 1 74 GLU H . . 5.500 5.333 4.324 5.505 0.005 3 0 "[ . 1 . 2]" 1
314 1 20 ILE MG 1 74 GLU HA . . 4.910 4.485 3.455 4.913 0.003 16 0 "[ . 1 . 2]" 1
315 1 20 ILE MG 1 74 GLU QG . . 5.340 4.554 4.090 5.351 0.011 9 0 "[ . 1 . 2]" 1
316 1 20 ILE MG 1 97 TRP HH2 . . 5.500 4.659 3.929 5.287 . 0 0 "[ . 1 . 2]" 1
317 1 20 ILE MG 1 97 TRP HZ2 . . 5.410 3.555 3.112 4.083 . 0 0 "[ . 1 . 2]" 1
318 1 21 ARG H 1 21 ARG QG . . 4.790 3.381 2.420 3.948 . 0 0 "[ . 1 . 2]" 1
319 1 21 ARG H 1 22 SER H . . 4.600 2.681 2.576 2.737 . 0 0 "[ . 1 . 2]" 1
320 1 21 ARG H 1 23 ALA H . . 5.500 4.542 4.236 4.918 . 0 0 "[ . 1 . 2]" 1
321 1 21 ARG HA 1 21 ARG QG . . 3.710 2.342 2.012 3.344 . 0 0 "[ . 1 . 2]" 1
322 1 21 ARG HA 1 23 ALA H . . 4.550 3.677 3.349 4.107 . 0 0 "[ . 1 . 2]" 1
323 1 21 ARG QB 1 21 ARG QD . . 3.230 2.034 1.940 2.154 . 0 0 "[ . 1 . 2]" 1
324 1 21 ARG QG 1 23 ALA H . . 5.340 5.139 4.508 5.329 . 0 0 "[ . 1 . 2]" 1
325 1 22 SER H 1 23 ALA H . . 4.260 2.608 2.061 3.061 . 0 0 "[ . 1 . 2]" 1
326 1 22 SER H 1 97 TRP HE1 . . 5.480 3.333 3.079 3.628 . 0 0 "[ . 1 . 2]" 1
327 1 22 SER H 1 97 TRP HZ2 . . 5.500 5.440 4.891 5.527 0.027 11 0 "[ . 1 . 2]" 1
328 1 22 SER HA 1 23 ALA MB . . 5.500 4.480 4.258 4.856 . 0 0 "[ . 1 . 2]" 1
329 1 22 SER HA 1 97 TRP HE1 . . 5.500 5.422 4.997 5.512 0.012 12 0 "[ . 1 . 2]" 1
330 1 22 SER QB 1 23 ALA MB . . 5.340 3.499 3.292 3.716 . 0 0 "[ . 1 . 2]" 1
331 1 22 SER QB 1 97 TRP HD1 . . 4.870 2.234 1.984 2.843 . 0 0 "[ . 1 . 2]" 1
332 1 22 SER QB 1 97 TRP HE1 . . 4.550 3.210 2.422 3.598 . 0 0 "[ . 1 . 2]" 1
333 1 22 SER HB2 1 23 ALA H . . 5.500 4.292 3.790 4.558 . 0 0 "[ . 1 . 2]" 1
334 1 22 SER HB3 1 23 ALA H . . 5.500 3.781 2.840 4.255 . 0 0 "[ . 1 . 2]" 1
335 1 23 ALA H 1 24 PRO HD2 . . 5.500 4.787 4.720 4.822 . 0 0 "[ . 1 . 2]" 1
336 1 23 ALA H 1 24 PRO HD3 . . 5.500 4.781 4.459 5.034 . 0 0 "[ . 1 . 2]" 1
337 1 23 ALA H 1 97 TRP HE1 . . 5.500 4.117 3.030 4.837 . 0 0 "[ . 1 . 2]" 1
338 1 23 ALA HA 1 24 PRO HD2 . . 4.070 2.416 2.297 2.585 . 0 0 "[ . 1 . 2]" 1
339 1 23 ALA HA 1 24 PRO HD3 . . 4.070 2.311 2.268 2.389 . 0 0 "[ . 1 . 2]" 1
340 1 23 ALA HA 1 24 PRO QG . . 5.110 4.014 3.939 4.124 . 0 0 "[ . 1 . 2]" 1
341 1 23 ALA MB 1 24 PRO HD2 . . 4.710 2.144 1.942 2.365 . 0 0 "[ . 1 . 2]" 1
342 1 23 ALA MB 1 24 PRO HD3 . . 4.710 3.258 3.057 3.424 . 0 0 "[ . 1 . 2]" 1
343 1 23 ALA MB 1 24 PRO QG . . 5.350 3.550 3.342 3.693 . 0 0 "[ . 1 . 2]" 1
344 1 23 ALA MB 1 27 VAL HB . . 4.820 4.475 3.710 4.818 . 0 0 "[ . 1 . 2]" 1
345 1 23 ALA MB 1 27 VAL MG1 . . 4.570 2.338 1.861 3.167 . 0 0 "[ . 1 . 2]" 1
346 1 23 ALA MB 1 27 VAL QG . . 3.690 2.270 1.829 2.592 . 0 0 "[ . 1 . 2]" 1
347 1 23 ALA MB 1 27 VAL MG2 . . 4.570 3.732 2.203 4.379 . 0 0 "[ . 1 . 2]" 1
348 1 23 ALA MB 1 97 TRP HB2 . . 5.500 3.234 2.862 3.741 . 0 0 "[ . 1 . 2]" 1
349 1 23 ALA MB 1 97 TRP HB3 . . 5.500 2.860 2.472 3.319 . 0 0 "[ . 1 . 2]" 1
350 1 23 ALA MB 1 97 TRP HD1 . . 4.480 2.728 2.451 3.068 . 0 0 "[ . 1 . 2]" 1
351 1 23 ALA MB 1 97 TRP HE1 . . 5.270 2.902 2.475 3.460 . 0 0 "[ . 1 . 2]" 1
352 1 23 ALA MB 1 97 TRP HE3 . . 5.490 3.934 3.603 4.209 . 0 0 "[ . 1 . 2]" 1
353 1 23 ALA MB 1 97 TRP HH2 . . 5.150 4.814 4.292 5.164 0.014 5 0 "[ . 1 . 2]" 1
354 1 23 ALA MB 1 97 TRP HZ2 . . 5.110 3.931 3.295 4.474 . 0 0 "[ . 1 . 2]" 1
355 1 23 ALA MB 1 97 TRP HZ3 . . 5.180 4.800 4.386 5.115 . 0 0 "[ . 1 . 2]" 1
356 1 24 PRO HA 1 25 PRO QD . . 3.580 2.084 2.009 2.197 . 0 0 "[ . 1 . 2]" 1
357 1 24 PRO HA 1 25 PRO QG . . 4.260 3.994 3.913 4.116 . 0 0 "[ . 1 . 2]" 1
358 1 24 PRO QB 1 25 PRO QD . . 3.690 2.276 1.934 2.516 . 0 0 "[ . 1 . 2]" 1
359 1 24 PRO QB 1 26 ARG H . . 4.240 2.253 2.185 2.478 . 0 0 "[ . 1 . 2]" 1
360 1 24 PRO QB 1 27 VAL H . . 5.040 4.338 2.927 5.050 0.010 10 0 "[ . 1 . 2]" 1
361 1 24 PRO QB 1 27 VAL QG . . 3.770 3.506 3.112 3.738 . 0 0 "[ . 1 . 2]" 1
362 1 24 PRO QD 1 27 VAL QG . . 3.600 2.223 1.942 2.556 . 0 0 "[ . 1 . 2]" 1
363 1 24 PRO QG 1 27 VAL H . . 5.350 3.896 2.443 4.777 . 0 0 "[ . 1 . 2]" 1
364 1 24 PRO QG 1 27 VAL QG . . 3.990 2.152 1.843 2.447 . 0 0 "[ . 1 . 2]" 1
365 1 25 PRO HA 1 27 VAL H . . 5.500 4.214 3.287 5.028 . 0 0 "[ . 1 . 2]" 1
366 1 25 PRO HA 1 73 HIS HD2 . . 5.500 4.386 2.983 5.353 . 0 0 "[ . 1 . 2]" 1
367 1 25 PRO QG 1 26 ARG H . . 4.210 2.863 2.340 3.034 . 0 0 "[ . 1 . 2]" 1
368 1 25 PRO QG 1 26 ARG QG . . 4.000 3.272 2.540 4.000 . 0 0 "[ . 1 . 2]" 1
369 1 26 ARG H 1 26 ARG QD . . 5.340 3.917 2.439 4.606 . 0 0 "[ . 1 . 2]" 1
370 1 26 ARG H 1 26 ARG QG . . 3.950 2.854 1.895 3.615 . 0 0 "[ . 1 . 2]" 1
371 1 26 ARG H 1 27 VAL H . . 4.630 3.158 2.496 3.734 . 0 0 "[ . 1 . 2]" 1
372 1 26 ARG H 1 27 VAL QG . . 5.440 3.671 3.027 4.186 . 0 0 "[ . 1 . 2]" 1
373 1 26 ARG HA 1 28 THR MG . . 5.360 4.343 3.942 4.774 . 0 0 "[ . 1 . 2]" 1
374 1 26 ARG QG 1 27 VAL H . . 4.530 4.276 3.281 4.532 0.002 4 0 "[ . 1 . 2]" 1
375 1 27 VAL H 1 27 VAL HB . . 3.960 3.171 2.375 3.882 . 0 0 "[ . 1 . 2]" 1
376 1 27 VAL H 1 27 VAL QG . . 3.890 2.403 2.042 2.810 . 0 0 "[ . 1 . 2]" 1
377 1 27 VAL H 1 28 THR H . . 5.500 4.217 3.594 4.624 . 0 0 "[ . 1 . 2]" 1
378 1 27 VAL HA 1 28 THR MG . . 5.270 3.513 3.254 3.884 . 0 0 "[ . 1 . 2]" 1
379 1 27 VAL HA 1 29 THR H . . 5.030 4.710 4.354 4.835 . 0 0 "[ . 1 . 2]" 1
380 1 27 VAL HB 1 28 THR H . . 5.500 4.171 3.084 4.528 . 0 0 "[ . 1 . 2]" 1
381 1 27 VAL QG 1 28 THR H . . 4.410 2.466 2.024 3.428 . 0 0 "[ . 1 . 2]" 1
382 1 27 VAL QG 1 28 THR HA . . 5.440 3.347 3.133 4.030 . 0 0 "[ . 1 . 2]" 1
383 1 27 VAL QG 1 29 THR H . . 3.750 2.714 2.538 3.855 0.105 5 0 "[ . 1 . 2]" 1
384 1 27 VAL QG 1 73 HIS QB . . 4.610 3.613 2.767 4.043 . 0 0 "[ . 1 . 2]" 1
385 1 27 VAL QG 1 97 TRP QB . . 5.280 3.487 2.811 3.929 . 0 0 "[ . 1 . 2]" 1
386 1 27 VAL QG 1 97 TRP HE3 . . 3.420 3.153 2.695 3.426 0.006 15 0 "[ . 1 . 2]" 1
387 1 27 VAL QG 1 97 TRP HZ3 . . 4.300 3.503 2.529 3.795 . 0 0 "[ . 1 . 2]" 1
388 1 27 VAL MG1 1 28 THR H . . 5.500 3.808 3.609 4.119 . 0 0 "[ . 1 . 2]" 1
389 1 27 VAL MG1 1 97 TRP HE3 . . 3.930 3.601 3.123 4.016 0.086 5 0 "[ . 1 . 2]" 1
390 1 27 VAL MG1 1 97 TRP HZ3 . . 5.500 3.905 3.443 4.562 . 0 0 "[ . 1 . 2]" 1
391 1 27 VAL MG2 1 28 THR H . . 5.500 2.528 2.034 4.046 . 0 0 "[ . 1 . 2]" 1
392 1 27 VAL MG2 1 97 TRP HE3 . . 3.930 3.582 2.739 3.936 0.006 11 0 "[ . 1 . 2]" 1
393 1 27 VAL MG2 1 97 TRP HZ3 . . 5.500 4.109 2.541 4.593 . 0 0 "[ . 1 . 2]" 1
394 1 28 THR H 1 29 THR H . . 4.420 3.201 3.082 3.475 . 0 0 "[ . 1 . 2]" 1
395 1 28 THR H 1 69 LYS HA . . 5.500 5.439 5.284 5.508 0.008 4 0 "[ . 1 . 2]" 1
396 1 28 THR HA 1 76 ALA MB . . 4.480 2.967 2.584 3.504 . 0 0 "[ . 1 . 2]" 1
397 1 28 THR HA 1 97 TRP HH2 . . 5.500 3.880 3.031 4.316 . 0 0 "[ . 1 . 2]" 1
398 1 28 THR HA 1 97 TRP HZ3 . . 4.860 2.669 2.035 3.256 . 0 0 "[ . 1 . 2]" 1
399 1 28 THR HB 1 29 THR H . . 4.820 4.310 4.247 4.598 . 0 0 "[ . 1 . 2]" 1
400 1 28 THR HB 1 70 TYR QD . . 5.500 4.496 4.001 5.509 0.009 16 0 "[ . 1 . 2]" 1
401 1 28 THR HB 1 76 ALA H . . 5.500 4.320 3.967 4.665 . 0 0 "[ . 1 . 2]" 1
402 1 28 THR HB 1 76 ALA MB . . 5.500 3.339 2.916 3.840 . 0 0 "[ . 1 . 2]" 1
403 1 28 THR HB 1 97 TRP HZ3 . . 5.500 4.581 4.138 5.150 . 0 0 "[ . 1 . 2]" 1
404 1 28 THR MG 1 29 THR H . . 5.500 4.348 4.174 4.376 . 0 0 "[ . 1 . 2]" 1
405 1 28 THR MG 1 72 THR H . . 4.350 4.025 3.491 4.360 0.010 7 0 "[ . 1 . 2]" 1
406 1 28 THR MG 1 72 THR HA . . 4.330 2.734 2.153 3.407 . 0 0 "[ . 1 . 2]" 1
407 1 28 THR MG 1 72 THR MG . . 5.040 4.335 3.903 4.774 . 0 0 "[ . 1 . 2]" 1
408 1 28 THR MG 1 73 HIS H . . 4.380 2.737 2.326 4.340 . 0 0 "[ . 1 . 2]" 1
409 1 28 THR MG 1 73 HIS HA . . 4.280 2.104 1.888 3.743 . 0 0 "[ . 1 . 2]" 1
410 1 28 THR MG 1 73 HIS HB2 . . 5.040 2.842 1.960 5.036 . 0 0 "[ . 1 . 2]" 1
411 1 28 THR MG 1 73 HIS QB . . 4.380 2.163 1.856 3.960 . 0 0 "[ . 1 . 2]" 1
412 1 28 THR MG 1 73 HIS HB3 . . 5.040 2.408 1.922 4.142 . 0 0 "[ . 1 . 2]" 1
413 1 28 THR MG 1 76 ALA H . . 5.500 4.753 4.546 5.506 0.006 16 0 "[ . 1 . 2]" 1
414 1 28 THR MG 1 76 ALA MB . . 5.260 3.952 3.627 4.325 . 0 0 "[ . 1 . 2]" 1
415 1 28 THR MG 1 97 TRP HH2 . . 5.500 4.718 4.087 5.504 0.004 16 0 "[ . 1 . 2]" 1
416 1 28 THR MG 1 97 TRP HZ3 . . 5.500 4.501 4.073 5.180 . 0 0 "[ . 1 . 2]" 1
417 1 29 THR H 1 29 THR HB . . 4.190 2.738 2.636 2.846 . 0 0 "[ . 1 . 2]" 1
418 1 29 THR H 1 29 THR MG . . 4.020 3.872 3.760 3.944 . 0 0 "[ . 1 . 2]" 1
419 1 29 THR H 1 30 ALA H . . 5.500 4.233 4.028 4.384 . 0 0 "[ . 1 . 2]" 1
420 1 29 THR H 1 76 ALA MB . . 5.420 3.454 2.867 3.832 . 0 0 "[ . 1 . 2]" 1
421 1 29 THR H 1 97 TRP HE3 . . 5.190 3.053 2.592 3.543 . 0 0 "[ . 1 . 2]" 1
422 1 29 THR H 1 97 TRP HZ3 . . 5.090 2.565 1.895 2.936 . 0 0 "[ . 1 . 2]" 1
423 1 29 THR HA 1 30 ALA MB . . 5.000 3.929 3.827 4.012 . 0 0 "[ . 1 . 2]" 1
424 1 29 THR HA 1 68 ILE H . . 5.500 4.236 4.043 4.465 . 0 0 "[ . 1 . 2]" 1
425 1 29 THR HA 1 68 ILE HB . . 5.500 4.875 4.725 5.092 . 0 0 "[ . 1 . 2]" 1
426 1 29 THR HA 1 69 LYS HB2 . . 5.500 5.025 4.204 5.420 . 0 0 "[ . 1 . 2]" 1
427 1 29 THR HA 1 69 LYS HB3 . . 5.500 5.197 4.437 5.478 . 0 0 "[ . 1 . 2]" 1
428 1 29 THR HA 1 69 LYS QG . . 5.340 3.536 3.044 4.484 . 0 0 "[ . 1 . 2]" 1
429 1 29 THR HA 1 70 TYR H . . 4.660 3.574 3.336 3.801 . 0 0 "[ . 1 . 2]" 1
430 1 29 THR HA 1 70 TYR QD . . 5.500 3.619 3.260 4.170 . 0 0 "[ . 1 . 2]" 1
431 1 29 THR HA 1 76 ALA MB . . 5.500 3.827 3.387 4.370 . 0 0 "[ . 1 . 2]" 1
432 1 29 THR HB 1 30 ALA H . . 5.500 4.229 3.878 4.351 . 0 0 "[ . 1 . 2]" 1
433 1 29 THR HB 1 98 GLY H . . 5.500 3.529 2.626 4.512 . 0 0 "[ . 1 . 2]" 1
434 1 29 THR HB 1 98 GLY QA . . 5.340 3.685 2.755 5.037 . 0 0 "[ . 1 . 2]" 1
435 1 29 THR MG 1 30 ALA H . . 4.100 2.618 2.070 3.110 . 0 0 "[ . 1 . 2]" 1
436 1 29 THR MG 1 30 ALA HA . . 5.500 3.905 3.663 4.199 . 0 0 "[ . 1 . 2]" 1
437 1 29 THR MG 1 31 TYR H . . 4.930 4.215 3.697 4.580 . 0 0 "[ . 1 . 2]" 1
438 1 29 THR MG 1 31 TYR QD . . 5.500 5.402 5.185 5.500 . 0 0 "[ . 1 . 2]" 1
439 1 29 THR MG 1 67 PHE HA . . 5.010 3.122 2.840 3.355 . 0 0 "[ . 1 . 2]" 1
440 1 29 THR MG 1 67 PHE HB2 . . 4.610 3.311 3.030 3.713 . 0 0 "[ . 1 . 2]" 1
441 1 29 THR MG 1 67 PHE QB . . 3.940 2.000 1.834 2.235 . 0 0 "[ . 1 . 2]" 1
442 1 29 THR MG 1 67 PHE HB3 . . 4.610 2.017 1.847 2.254 . 0 0 "[ . 1 . 2]" 1
443 1 29 THR MG 1 67 PHE QD . . 3.990 2.346 1.991 2.715 . 0 0 "[ . 1 . 2]" 1
444 1 29 THR MG 1 67 PHE QE . . 4.650 4.158 3.608 4.590 . 0 0 "[ . 1 . 2]" 1
445 1 29 THR MG 1 68 ILE H . . 4.410 2.850 2.428 3.359 . 0 0 "[ . 1 . 2]" 1
446 1 29 THR MG 1 69 LYS H . . 4.850 4.300 4.017 4.656 . 0 0 "[ . 1 . 2]" 1
447 1 29 THR MG 1 69 LYS HA . . 5.390 3.543 3.181 3.869 . 0 0 "[ . 1 . 2]" 1
448 1 29 THR MG 1 98 GLY H . . 4.570 3.509 2.609 4.037 . 0 0 "[ . 1 . 2]" 1
449 1 29 THR MG 1 98 GLY QA . . 4.260 3.043 2.014 4.207 . 0 0 "[ . 1 . 2]" 1
450 1 29 THR MG 1 99 LYS H . . 5.380 4.834 3.893 5.381 0.001 2 0 "[ . 1 . 2]" 1
451 1 30 ALA H 1 31 TYR H . . 5.400 4.442 4.005 4.561 . 0 0 "[ . 1 . 2]" 1
452 1 30 ALA H 1 32 ILE MD . . 5.500 4.930 4.570 5.247 . 0 0 "[ . 1 . 2]" 1
453 1 30 ALA H 1 67 PHE HA . . 5.500 4.395 3.686 4.745 . 0 0 "[ . 1 . 2]" 1
454 1 30 ALA H 1 67 PHE QD . . 5.500 5.266 4.566 5.497 . 0 0 "[ . 1 . 2]" 1
455 1 30 ALA H 1 68 ILE H . . 4.870 2.848 2.329 3.145 . 0 0 "[ . 1 . 2]" 1
456 1 30 ALA H 1 68 ILE HA . . 5.500 4.696 4.502 4.903 . 0 0 "[ . 1 . 2]" 1
457 1 30 ALA H 1 68 ILE HB . . 4.900 3.431 3.274 3.779 . 0 0 "[ . 1 . 2]" 1
458 1 30 ALA H 1 68 ILE MD . . 5.500 3.780 3.477 4.171 . 0 0 "[ . 1 . 2]" 1
459 1 30 ALA H 1 68 ILE QG . . 5.340 4.737 4.588 4.894 . 0 0 "[ . 1 . 2]" 1
460 1 30 ALA H 1 68 ILE MG . . 5.500 4.649 4.525 4.885 . 0 0 "[ . 1 . 2]" 1
461 1 30 ALA H 1 69 LYS HA . . 5.500 3.810 3.403 4.032 . 0 0 "[ . 1 . 2]" 1
462 1 30 ALA H 1 70 TYR H . . 5.290 4.762 4.354 5.222 . 0 0 "[ . 1 . 2]" 1
463 1 30 ALA H 1 70 TYR QD . . 5.500 3.388 3.091 4.146 . 0 0 "[ . 1 . 2]" 1
464 1 30 ALA H 1 70 TYR QE . . 5.500 3.594 3.125 4.139 . 0 0 "[ . 1 . 2]" 1
465 1 30 ALA H 1 76 ALA MB . . 5.070 3.607 3.246 4.103 . 0 0 "[ . 1 . 2]" 1
466 1 30 ALA HA 1 32 ILE MD . . 5.500 3.978 3.635 4.166 . 0 0 "[ . 1 . 2]" 1
467 1 30 ALA HA 1 80 ILE MD . . 4.910 3.271 2.369 3.954 . 0 0 "[ . 1 . 2]" 1
468 1 30 ALA HA 1 97 TRP HE3 . . 5.500 4.105 3.651 5.286 . 0 0 "[ . 1 . 2]" 1
469 1 30 ALA MB 1 31 TYR H . . 4.250 3.170 2.930 3.512 . 0 0 "[ . 1 . 2]" 1
470 1 30 ALA MB 1 32 ILE MD . . 3.870 2.446 2.184 2.677 . 0 0 "[ . 1 . 2]" 1
471 1 30 ALA MB 1 67 PHE HA . . 5.500 4.357 3.918 4.671 . 0 0 "[ . 1 . 2]" 1
472 1 30 ALA MB 1 68 ILE H . . 4.770 3.182 2.850 3.416 . 0 0 "[ . 1 . 2]" 1
473 1 30 ALA MB 1 68 ILE HB . . 3.930 2.751 2.353 3.156 . 0 0 "[ . 1 . 2]" 1
474 1 30 ALA MB 1 68 ILE MD . . 4.430 2.179 1.955 2.469 . 0 0 "[ . 1 . 2]" 1
475 1 30 ALA MB 1 68 ILE MG . . 4.920 4.031 3.682 4.356 . 0 0 "[ . 1 . 2]" 1
476 1 30 ALA MB 1 70 TYR QD . . 4.700 3.302 2.961 3.567 . 0 0 "[ . 1 . 2]" 1
477 1 30 ALA MB 1 70 TYR QE . . 4.260 2.301 1.952 2.719 . 0 0 "[ . 1 . 2]" 1
478 1 30 ALA MB 1 76 ALA HA . . 4.760 3.147 2.655 3.751 . 0 0 "[ . 1 . 2]" 1
479 1 30 ALA MB 1 76 ALA MB . . 4.140 2.842 2.482 3.288 . 0 0 "[ . 1 . 2]" 1
480 1 30 ALA MB 1 79 CYS QB . . 4.410 3.034 2.202 3.774 . 0 0 "[ . 1 . 2]" 1
481 1 30 ALA MB 1 80 ILE H . . 4.810 4.131 3.735 4.523 . 0 0 "[ . 1 . 2]" 1
482 1 30 ALA MB 1 80 ILE HA . . 4.410 4.140 3.792 4.427 0.017 18 0 "[ . 1 . 2]" 1
483 1 30 ALA MB 1 80 ILE QG . . 3.790 3.349 2.683 3.816 0.026 17 0 "[ . 1 . 2]" 1
484 1 30 ALA MB 1 96 GLY H . . 5.500 4.798 4.112 5.483 . 0 0 "[ . 1 . 2]" 1
485 1 31 TYR H 1 31 TYR QD . . 5.170 3.322 3.255 3.372 . 0 0 "[ . 1 . 2]" 1
486 1 31 TYR H 1 31 TYR QE . . 5.500 5.545 5.501 5.575 0.075 16 0 "[ . 1 . 2]" 1
487 1 31 TYR H 1 32 ILE MD . . 5.310 3.322 3.148 3.517 . 0 0 "[ . 1 . 2]" 1
488 1 31 TYR H 1 80 ILE QG . . 5.340 3.751 3.614 4.139 . 0 0 "[ . 1 . 2]" 1
489 1 31 TYR H 1 95 THR HA . . 5.500 4.428 4.211 4.643 . 0 0 "[ . 1 . 2]" 1
490 1 31 TYR H 1 96 GLY H . . 4.820 3.226 2.828 3.695 . 0 0 "[ . 1 . 2]" 1
491 1 31 TYR HA 1 31 TYR QE . . 5.500 5.215 5.194 5.241 . 0 0 "[ . 1 . 2]" 1
492 1 31 TYR HA 1 32 ILE MD . . 5.500 3.152 2.915 3.328 . 0 0 "[ . 1 . 2]" 1
493 1 31 TYR HA 1 66 CYS H . . 5.500 4.278 4.044 4.640 . 0 0 "[ . 1 . 2]" 1
494 1 31 TYR HA 1 67 PHE QD . . 5.390 3.233 2.557 4.000 . 0 0 "[ . 1 . 2]" 1
495 1 31 TYR QB 1 32 ILE MD . . 5.340 4.187 4.059 4.335 . 0 0 "[ . 1 . 2]" 1
496 1 31 TYR QB 1 67 PHE QE . . 4.740 2.394 1.981 3.147 . 0 0 "[ . 1 . 2]" 1
497 1 31 TYR QB 1 95 THR HA . . 5.340 4.735 4.334 5.007 . 0 0 "[ . 1 . 2]" 1
498 1 31 TYR QB 1 98 GLY QA . . 4.200 2.329 1.894 3.077 . 0 0 "[ . 1 . 2]" 1
499 1 31 TYR HB2 1 32 ILE H . . 5.500 3.751 3.666 3.919 . 0 0 "[ . 1 . 2]" 1
500 1 31 TYR HB2 1 67 PHE QD . . 5.500 2.727 2.007 3.519 . 0 0 "[ . 1 . 2]" 1
501 1 31 TYR HB2 1 67 PHE QE . . 5.470 2.422 1.994 3.211 . 0 0 "[ . 1 . 2]" 1
502 1 31 TYR HB2 1 96 GLY H . . 5.240 5.306 5.274 5.343 0.103 16 0 "[ . 1 . 2]" 1
503 1 31 TYR HB3 1 32 ILE H . . 5.500 4.424 4.372 4.530 . 0 0 "[ . 1 . 2]" 1
504 1 31 TYR HB3 1 67 PHE QD . . 5.500 3.936 3.297 4.706 . 0 0 "[ . 1 . 2]" 1
505 1 31 TYR HB3 1 67 PHE QE . . 5.470 3.831 3.419 4.521 . 0 0 "[ . 1 . 2]" 1
506 1 31 TYR HB3 1 96 GLY H . . 5.240 3.799 3.691 3.906 . 0 0 "[ . 1 . 2]" 1
507 1 31 TYR QD 1 32 ILE H . . 5.180 3.595 3.398 3.796 . 0 0 "[ . 1 . 2]" 1
508 1 31 TYR QD 1 32 ILE MD . . 5.500 4.171 3.939 4.435 . 0 0 "[ . 1 . 2]" 1
509 1 31 TYR QD 1 32 ILE QG . . 5.340 5.137 4.818 5.354 0.014 5 0 "[ . 1 . 2]" 1
510 1 31 TYR QD 1 32 ILE MG . . 5.500 5.398 5.336 5.515 0.015 16 0 "[ . 1 . 2]" 1
511 1 31 TYR QD 1 33 GLY H . . 5.500 4.348 3.957 4.683 . 0 0 "[ . 1 . 2]" 1
512 1 31 TYR QD 1 33 GLY QA . . 5.340 4.419 4.240 4.503 . 0 0 "[ . 1 . 2]" 1
513 1 31 TYR QD 1 65 CYS HB2 . . 5.500 3.661 2.651 4.827 . 0 0 "[ . 1 . 2]" 1
514 1 31 TYR QD 1 65 CYS HB3 . . 5.500 3.907 2.978 4.748 . 0 0 "[ . 1 . 2]" 1
515 1 31 TYR QD 1 66 CYS H . . 5.500 4.453 4.101 4.733 . 0 0 "[ . 1 . 2]" 1
516 1 31 TYR QD 1 67 PHE HA . . 5.500 5.281 5.054 5.522 0.022 18 0 "[ . 1 . 2]" 1
517 1 31 TYR QD 1 67 PHE QD . . 5.500 4.075 3.620 4.467 . 0 0 "[ . 1 . 2]" 1
518 1 31 TYR QD 1 67 PHE QE . . 4.910 2.775 2.156 3.465 . 0 0 "[ . 1 . 2]" 1
519 1 31 TYR QD 1 67 PHE HZ . . 4.910 3.147 2.626 3.824 . 0 0 "[ . 1 . 2]" 1
520 1 31 TYR QD 1 94 ARG QG . . 5.340 5.257 4.973 5.375 0.035 14 0 "[ . 1 . 2]" 1
521 1 31 TYR QD 1 95 THR HA . . 5.080 2.959 2.195 3.368 . 0 0 "[ . 1 . 2]" 1
522 1 31 TYR QD 1 95 THR HB . . 5.500 4.526 3.700 4.829 . 0 0 "[ . 1 . 2]" 1
523 1 31 TYR QD 1 95 THR MG . . 5.500 4.651 3.854 5.058 . 0 0 "[ . 1 . 2]" 1
524 1 31 TYR QD 1 96 GLY H . . 4.840 2.271 2.007 2.597 . 0 0 "[ . 1 . 2]" 1
525 1 31 TYR QD 1 96 GLY HA2 . . 5.500 3.726 3.422 4.068 . 0 0 "[ . 1 . 2]" 1
526 1 31 TYR QD 1 96 GLY HA3 . . 5.500 2.723 2.052 3.376 . 0 0 "[ . 1 . 2]" 1
527 1 31 TYR QD 1 97 TRP H . . 5.500 4.229 3.141 4.878 . 0 0 "[ . 1 . 2]" 1
528 1 31 TYR QD 1 98 GLY HA2 . . 5.500 4.349 3.694 5.333 . 0 0 "[ . 1 . 2]" 1
529 1 31 TYR QD 1 98 GLY QA . . 4.810 3.871 3.560 4.594 . 0 0 "[ . 1 . 2]" 1
530 1 31 TYR QD 1 98 GLY HA3 . . 5.500 4.796 3.659 5.425 . 0 0 "[ . 1 . 2]" 1
531 1 31 TYR QE 1 32 ILE H . . 5.500 4.794 4.623 5.057 . 0 0 "[ . 1 . 2]" 1
532 1 31 TYR QE 1 33 GLY H . . 5.390 3.653 3.217 4.043 . 0 0 "[ . 1 . 2]" 1
533 1 31 TYR QE 1 33 GLY HA2 . . 5.500 3.968 3.724 4.188 . 0 0 "[ . 1 . 2]" 1
534 1 31 TYR QE 1 33 GLY QA . . 4.650 3.275 3.044 3.407 . 0 0 "[ . 1 . 2]" 1
535 1 31 TYR QE 1 33 GLY HA3 . . 5.500 3.492 3.229 3.641 . 0 0 "[ . 1 . 2]" 1
536 1 31 TYR QE 1 34 ASN H . . 5.500 5.453 5.138 5.528 0.028 19 0 "[ . 1 . 2]" 1
537 1 31 TYR QE 1 65 CYS HA . . 5.500 4.857 4.529 5.208 . 0 0 "[ . 1 . 2]" 1
538 1 31 TYR QE 1 65 CYS HB2 . . 4.480 3.633 2.746 4.494 0.014 16 0 "[ . 1 . 2]" 1
539 1 31 TYR QE 1 65 CYS QB . . 3.940 3.048 2.435 3.459 . 0 0 "[ . 1 . 2]" 1
540 1 31 TYR QE 1 65 CYS HB3 . . 4.480 3.441 2.586 4.416 . 0 0 "[ . 1 . 2]" 1
541 1 31 TYR QE 1 66 CYS H . . 5.500 5.256 4.892 5.495 . 0 0 "[ . 1 . 2]" 1
542 1 31 TYR QE 1 67 PHE QE . . 5.500 4.574 4.193 5.005 . 0 0 "[ . 1 . 2]" 1
543 1 31 TYR QE 1 67 PHE HZ . . 5.260 4.481 3.884 5.262 0.002 20 0 "[ . 1 . 2]" 1
544 1 31 TYR QE 1 94 ARG HB2 . . 5.500 4.551 4.090 4.842 . 0 0 "[ . 1 . 2]" 1
545 1 31 TYR QE 1 94 ARG HB3 . . 5.500 3.020 2.629 3.329 . 0 0 "[ . 1 . 2]" 1
546 1 31 TYR QE 1 94 ARG QG . . 5.340 3.415 3.209 3.625 . 0 0 "[ . 1 . 2]" 1
547 1 31 TYR QE 1 95 THR HA . . 5.500 3.545 2.624 4.050 . 0 0 "[ . 1 . 2]" 1
548 1 31 TYR QE 1 95 THR HB . . 5.500 5.274 4.562 5.541 0.041 18 0 "[ . 1 . 2]" 1
549 1 31 TYR QE 1 96 GLY H . . 5.500 3.888 3.423 4.370 . 0 0 "[ . 1 . 2]" 1
550 1 32 ILE H 1 32 ILE MD . . 4.870 2.692 2.504 2.976 . 0 0 "[ . 1 . 2]" 1
551 1 32 ILE H 1 33 GLY H . . 5.100 4.153 3.873 4.329 . 0 0 "[ . 1 . 2]" 1
552 1 32 ILE H 1 35 ILE MD . . 5.500 4.022 3.798 4.281 . 0 0 "[ . 1 . 2]" 1
553 1 32 ILE H 1 48 PHE HZ . . 5.500 5.513 5.497 5.534 0.034 18 0 "[ . 1 . 2]" 1
554 1 32 ILE H 1 65 CYS HA . . 5.500 4.338 4.007 4.591 . 0 0 "[ . 1 . 2]" 1
555 1 32 ILE H 1 66 CYS H . . 4.760 2.671 2.443 2.951 . 0 0 "[ . 1 . 2]" 1
556 1 32 ILE H 1 66 CYS HA . . 5.440 4.824 4.637 5.013 . 0 0 "[ . 1 . 2]" 1
557 1 32 ILE H 1 67 PHE HA . . 5.300 3.888 3.473 4.470 . 0 0 "[ . 1 . 2]" 1
558 1 32 ILE H 1 68 ILE H . . 5.500 5.255 4.943 5.499 . 0 0 "[ . 1 . 2]" 1
559 1 32 ILE H 1 68 ILE MD . . 5.500 4.361 4.085 4.571 . 0 0 "[ . 1 . 2]" 1
560 1 32 ILE H 1 95 THR HA . . 5.500 4.956 4.846 5.100 . 0 0 "[ . 1 . 2]" 1
561 1 32 ILE HA 1 32 ILE MD . . 4.510 2.770 2.621 3.020 . 0 0 "[ . 1 . 2]" 1
562 1 32 ILE HA 1 94 ARG QB . . 4.870 3.505 3.079 4.029 . 0 0 "[ . 1 . 2]" 1
563 1 32 ILE HA 1 95 THR HA . . 4.780 2.807 2.519 3.067 . 0 0 "[ . 1 . 2]" 1
564 1 32 ILE HA 1 95 THR MG . . 4.620 3.358 2.913 3.971 . 0 0 "[ . 1 . 2]" 1
565 1 32 ILE HB 1 33 GLY H . . 5.500 4.460 4.352 4.572 . 0 0 "[ . 1 . 2]" 1
566 1 32 ILE HB 1 35 ILE MD . . 4.510 2.932 2.583 3.193 . 0 0 "[ . 1 . 2]" 1
567 1 32 ILE HB 1 48 PHE QE . . 4.790 3.710 3.387 3.922 . 0 0 "[ . 1 . 2]" 1
568 1 32 ILE HB 1 48 PHE HZ . . 5.220 3.087 2.994 3.180 . 0 0 "[ . 1 . 2]" 1
569 1 32 ILE HB 1 65 CYS HA . . 5.500 4.779 4.481 4.981 . 0 0 "[ . 1 . 2]" 1
570 1 32 ILE HB 1 66 CYS H . . 5.090 3.416 3.278 3.508 . 0 0 "[ . 1 . 2]" 1
571 1 32 ILE HB 1 66 CYS QB . . 4.500 4.080 2.751 4.286 . 0 0 "[ . 1 . 2]" 1
572 1 32 ILE HB 1 68 ILE MD . . 5.500 3.631 3.312 3.920 . 0 0 "[ . 1 . 2]" 1
573 1 32 ILE HB 1 95 THR HA . . 5.500 5.392 5.114 5.606 0.106 14 0 "[ . 1 . 2]" 1
574 1 32 ILE MD 1 32 ILE MG . . 3.390 3.234 3.197 3.252 . 0 0 "[ . 1 . 2]" 1
575 1 32 ILE MD 1 33 GLY H . . 5.440 4.568 4.410 4.796 . 0 0 "[ . 1 . 2]" 1
576 1 32 ILE MD 1 48 PHE QD . . 4.820 3.353 3.108 3.523 . 0 0 "[ . 1 . 2]" 1
577 1 32 ILE MD 1 48 PHE QE . . 4.440 2.220 1.964 2.482 . 0 0 "[ . 1 . 2]" 1
578 1 32 ILE MD 1 48 PHE HZ . . 5.060 3.482 3.000 3.672 . 0 0 "[ . 1 . 2]" 1
579 1 32 ILE MD 1 51 PHE QE . . 5.500 4.509 4.080 4.822 . 0 0 "[ . 1 . 2]" 1
580 1 32 ILE MD 1 66 CYS H . . 5.500 4.573 4.387 4.739 . 0 0 "[ . 1 . 2]" 1
581 1 32 ILE MD 1 67 PHE HA . . 5.500 4.175 3.604 4.936 . 0 0 "[ . 1 . 2]" 1
582 1 32 ILE MD 1 68 ILE MD . . 3.930 2.358 2.158 2.610 . 0 0 "[ . 1 . 2]" 1
583 1 32 ILE MD 1 79 CYS HG . . 4.490 2.646 1.949 3.237 . 0 0 "[ . 1 . 2]" 1
584 1 32 ILE MD 1 83 LEU QB . . 5.220 3.205 2.831 3.737 . 0 0 "[ . 1 . 2]" 1
585 1 32 ILE MD 1 83 LEU HG . . 4.780 2.895 2.237 4.668 . 0 0 "[ . 1 . 2]" 1
586 1 32 ILE MD 1 95 THR H . . 5.500 5.492 5.354 5.522 0.022 12 0 "[ . 1 . 2]" 1
587 1 32 ILE MD 1 95 THR HA . . 4.810 3.116 2.967 3.291 . 0 0 "[ . 1 . 2]" 1
588 1 32 ILE MD 1 95 THR MG . . 3.500 2.716 2.062 3.241 . 0 0 "[ . 1 . 2]" 1
589 1 32 ILE QG 1 33 GLY H . . 5.080 3.961 3.809 4.155 . 0 0 "[ . 1 . 2]" 1
590 1 32 ILE QG 1 48 PHE QE . . 4.270 1.978 1.963 1.984 . 0 0 "[ . 1 . 2]" 1
591 1 32 ILE QG 1 48 PHE HZ . . 4.450 2.689 2.155 3.079 . 0 0 "[ . 1 . 2]" 1
592 1 32 ILE QG 1 66 CYS H . . 5.340 5.324 5.213 5.387 0.047 20 0 "[ . 1 . 2]" 1
593 1 32 ILE QG 1 68 ILE MD . . 4.410 3.588 3.438 3.777 . 0 0 "[ . 1 . 2]" 1
594 1 32 ILE QG 1 95 THR HA . . 4.530 3.255 2.703 3.883 . 0 0 "[ . 1 . 2]" 1
595 1 32 ILE MG 1 33 GLY H . . 4.260 2.816 2.492 3.179 . 0 0 "[ . 1 . 2]" 1
596 1 32 ILE MG 1 33 GLY QA . . 5.340 3.427 3.307 3.579 . 0 0 "[ . 1 . 2]" 1
597 1 32 ILE MG 1 35 ILE MD . . 3.690 1.910 1.826 1.954 . 0 0 "[ . 1 . 2]" 1
598 1 32 ILE MG 1 44 LEU QD . . 4.730 3.504 3.358 3.646 . 0 0 "[ . 1 . 2]" 1
599 1 32 ILE MG 1 47 LEU QD . . 5.300 4.197 3.925 4.427 . 0 0 "[ . 1 . 2]" 1
600 1 32 ILE MG 1 48 PHE HZ . . 4.120 2.848 2.595 3.094 . 0 0 "[ . 1 . 2]" 1
601 1 32 ILE MG 1 59 HIS HD2 . . 5.500 5.511 5.390 5.547 0.047 19 0 "[ . 1 . 2]" 1
602 1 32 ILE MG 1 65 CYS HA . . 5.500 3.899 3.691 4.074 . 0 0 "[ . 1 . 2]" 1
603 1 32 ILE MG 1 66 CYS H . . 5.250 3.708 3.450 4.008 . 0 0 "[ . 1 . 2]" 1
604 1 32 ILE MG 1 68 ILE MD . . 4.920 4.455 4.219 4.681 . 0 0 "[ . 1 . 2]" 1
605 1 33 GLY H 1 34 ASN H . . 5.370 4.526 4.426 4.572 . 0 0 "[ . 1 . 2]" 1
606 1 33 GLY H 1 35 ILE MD . . 5.100 4.672 3.766 4.925 . 0 0 "[ . 1 . 2]" 1
607 1 33 GLY H 1 65 CYS HA . . 5.500 4.746 4.390 5.083 . 0 0 "[ . 1 . 2]" 1
608 1 33 GLY H 1 94 ARG H . . 4.800 2.667 2.305 3.226 . 0 0 "[ . 1 . 2]" 1
609 1 33 GLY H 1 94 ARG HB2 . . 5.500 2.761 1.897 3.363 . 0 0 "[ . 1 . 2]" 1
610 1 33 GLY H 1 94 ARG QB . . 4.730 2.003 1.736 2.475 . 0 0 "[ . 1 . 2]" 1
611 1 33 GLY H 1 94 ARG HB3 . . 5.500 2.078 1.893 2.547 . 0 0 "[ . 1 . 2]" 1
612 1 33 GLY H 1 95 THR H . . 5.500 4.050 3.897 4.200 . 0 0 "[ . 1 . 2]" 1
613 1 33 GLY H 1 95 THR HA . . 5.190 3.911 3.671 4.379 . 0 0 "[ . 1 . 2]" 1
614 1 33 GLY H 1 95 THR MG . . 5.120 4.509 4.130 4.906 . 0 0 "[ . 1 . 2]" 1
615 1 33 GLY QA 1 35 ILE H . . 5.340 3.692 3.518 3.866 . 0 0 "[ . 1 . 2]" 1
616 1 33 GLY QA 1 35 ILE MD . . 5.340 3.513 2.498 3.851 . 0 0 "[ . 1 . 2]" 1
617 1 33 GLY QA 1 65 CYS QB . . 4.260 2.904 2.232 3.342 . 0 0 "[ . 1 . 2]" 1
618 1 33 GLY QA 1 66 CYS H . . 5.340 3.866 3.557 4.343 . 0 0 "[ . 1 . 2]" 1
619 1 33 GLY QA 1 95 THR H . . 5.330 5.337 5.195 5.398 0.068 12 0 "[ . 1 . 2]" 1
620 1 33 GLY HA2 1 65 CYS HA . . 5.010 2.430 2.043 2.963 . 0 0 "[ . 1 . 2]" 1
621 1 33 GLY HA2 1 65 CYS HB2 . . 5.420 3.756 2.418 4.403 . 0 0 "[ . 1 . 2]" 1
622 1 33 GLY HA2 1 65 CYS HB3 . . 5.420 3.240 2.377 3.976 . 0 0 "[ . 1 . 2]" 1
623 1 33 GLY HA3 1 65 CYS HA . . 5.010 4.119 3.749 4.662 . 0 0 "[ . 1 . 2]" 1
624 1 33 GLY HA3 1 65 CYS HB2 . . 5.420 4.798 3.233 5.446 0.026 12 0 "[ . 1 . 2]" 1
625 1 33 GLY HA3 1 65 CYS HB3 . . 5.420 4.244 3.146 4.989 . 0 0 "[ . 1 . 2]" 1
626 1 34 ASN H 1 34 ASN QD . . 5.340 4.969 4.717 5.236 . 0 0 "[ . 1 . 2]" 1
627 1 34 ASN H 1 35 ILE H . . 4.300 2.642 2.444 2.810 . 0 0 "[ . 1 . 2]" 1
628 1 34 ASN H 1 35 ILE MD . . 5.500 4.739 3.596 5.146 . 0 0 "[ . 1 . 2]" 1
629 1 34 ASN H 1 64 GLY QA . . 5.340 3.758 3.475 4.035 . 0 0 "[ . 1 . 2]" 1
630 1 34 ASN H 1 65 CYS HA . . 5.500 4.132 3.893 4.583 . 0 0 "[ . 1 . 2]" 1
631 1 34 ASN QB 1 93 LEU QD . . 5.280 2.898 2.694 3.201 . 0 0 "[ . 1 . 2]" 1
632 1 34 ASN QB 1 94 ARG H . . 4.920 3.194 2.922 3.810 . 0 0 "[ . 1 . 2]" 1
633 1 34 ASN QB 1 94 ARG QG . . 4.420 4.054 2.527 4.391 . 0 0 "[ . 1 . 2]" 1
634 1 34 ASN HB2 1 35 ILE H . . 5.500 4.596 4.539 4.643 . 0 0 "[ . 1 . 2]" 1
635 1 34 ASN HB3 1 35 ILE H . . 5.500 4.286 4.246 4.340 . 0 0 "[ . 1 . 2]" 1
636 1 34 ASN QD 1 91 ARG QB . . 4.430 3.527 2.908 4.257 . 0 0 "[ . 1 . 2]" 1
637 1 34 ASN QD 1 91 ARG QD . . 4.600 3.580 2.602 4.396 . 0 0 "[ . 1 . 2]" 1
638 1 34 ASN QD 1 91 ARG QG . . 4.760 2.971 2.159 4.761 0.001 9 0 "[ . 1 . 2]" 1
639 1 34 ASN QD 1 92 ASN H . . 4.350 3.550 3.317 3.851 . 0 0 "[ . 1 . 2]" 1
640 1 34 ASN QD 1 92 ASN QB . . 4.760 3.701 3.108 3.972 . 0 0 "[ . 1 . 2]" 1
641 1 34 ASN QD 1 93 LEU HA . . 5.340 3.375 2.791 3.867 . 0 0 "[ . 1 . 2]" 1
642 1 34 ASN QD 1 93 LEU QD . . 5.270 3.137 2.770 3.465 . 0 0 "[ . 1 . 2]" 1
643 1 34 ASN HD21 1 91 ARG HA . . 5.500 5.106 4.810 5.421 . 0 0 "[ . 1 . 2]" 1
644 1 34 ASN HD21 1 92 ASN H . . 5.090 3.939 3.514 4.264 . 0 0 "[ . 1 . 2]" 1
645 1 34 ASN HD22 1 91 ARG HA . . 5.500 5.144 4.523 5.450 . 0 0 "[ . 1 . 2]" 1
646 1 34 ASN HD22 1 92 ASN H . . 5.090 4.075 3.636 4.573 . 0 0 "[ . 1 . 2]" 1
647 1 35 ILE H 1 35 ILE HB . . 4.060 2.502 2.389 2.575 . 0 0 "[ . 1 . 2]" 1
648 1 35 ILE H 1 35 ILE MD . . 4.180 3.755 2.980 3.979 . 0 0 "[ . 1 . 2]" 1
649 1 35 ILE H 1 35 ILE QG . . 4.130 2.692 2.502 3.220 . 0 0 "[ . 1 . 2]" 1
650 1 35 ILE H 1 36 PRO QD . . 5.350 4.309 4.273 4.334 . 0 0 "[ . 1 . 2]" 1
651 1 35 ILE H 1 64 GLY H . . 5.500 5.377 5.169 5.509 0.009 16 0 "[ . 1 . 2]" 1
652 1 35 ILE H 1 64 GLY HA2 . . 5.500 3.211 2.993 3.374 . 0 0 "[ . 1 . 2]" 1
653 1 35 ILE H 1 64 GLY QA . . 4.790 2.842 2.691 2.984 . 0 0 "[ . 1 . 2]" 1
654 1 35 ILE H 1 64 GLY HA3 . . 5.500 3.188 2.946 3.596 . 0 0 "[ . 1 . 2]" 1
655 1 35 ILE H 1 65 CYS HA . . 5.500 4.192 3.880 4.829 . 0 0 "[ . 1 . 2]" 1
656 1 35 ILE H 1 93 LEU MD1 . . 5.370 5.340 5.233 5.379 0.009 12 0 "[ . 1 . 2]" 1
657 1 35 ILE H 1 93 LEU QD . . 4.650 3.774 3.565 4.124 . 0 0 "[ . 1 . 2]" 1
658 1 35 ILE H 1 93 LEU MD2 . . 5.370 3.862 3.622 4.289 . 0 0 "[ . 1 . 2]" 1
659 1 35 ILE HA 1 35 ILE MD . . 4.460 3.825 3.582 3.888 . 0 0 "[ . 1 . 2]" 1
660 1 35 ILE HA 1 88 PHE QD . . 5.220 4.017 3.712 4.347 . 0 0 "[ . 1 . 2]" 1
661 1 35 ILE HA 1 88 PHE QE . . 5.280 4.944 4.577 5.250 . 0 0 "[ . 1 . 2]" 1
662 1 35 ILE HA 1 93 LEU MD1 . . 5.460 3.723 3.520 3.856 . 0 0 "[ . 1 . 2]" 1
663 1 35 ILE HA 1 93 LEU QD . . 4.260 2.205 1.970 2.496 . 0 0 "[ . 1 . 2]" 1
664 1 35 ILE HA 1 93 LEU MD2 . . 5.460 2.223 1.979 2.540 . 0 0 "[ . 1 . 2]" 1
665 1 35 ILE HB 1 65 CYS HA . . 5.500 3.859 3.558 4.532 . 0 0 "[ . 1 . 2]" 1
666 1 35 ILE MD 1 35 ILE MG . . 3.590 2.212 1.936 2.877 . 0 0 "[ . 1 . 2]" 1
667 1 35 ILE MD 1 36 PRO HD2 . . 5.500 4.420 4.310 4.734 . 0 0 "[ . 1 . 2]" 1
668 1 35 ILE MD 1 36 PRO HD3 . . 5.500 5.452 5.397 5.519 0.019 12 0 "[ . 1 . 2]" 1
669 1 35 ILE MD 1 44 LEU QD . . 4.010 2.169 1.895 3.101 . 0 0 "[ . 1 . 2]" 1
670 1 35 ILE MD 1 48 PHE QE . . 5.170 4.168 3.982 4.758 . 0 0 "[ . 1 . 2]" 1
671 1 35 ILE MD 1 48 PHE HZ . . 4.650 3.658 3.384 4.159 . 0 0 "[ . 1 . 2]" 1
672 1 35 ILE MD 1 59 HIS HD2 . . 4.800 2.669 2.463 3.389 . 0 0 "[ . 1 . 2]" 1
673 1 35 ILE MD 1 60 TYR H . . 5.500 4.011 3.610 4.351 . 0 0 "[ . 1 . 2]" 1
674 1 35 ILE MD 1 64 GLY H . . 5.500 5.122 4.831 5.368 . 0 0 "[ . 1 . 2]" 1
675 1 35 ILE MD 1 65 CYS H . . 5.360 3.559 3.193 3.895 . 0 0 "[ . 1 . 2]" 1
676 1 35 ILE MD 1 65 CYS HA . . 4.360 2.443 1.871 2.722 . 0 0 "[ . 1 . 2]" 1
677 1 35 ILE MD 1 65 CYS QB . . 5.340 3.981 3.394 4.244 . 0 0 "[ . 1 . 2]" 1
678 1 35 ILE MD 1 66 CYS H . . 4.700 2.595 2.429 2.904 . 0 0 "[ . 1 . 2]" 1
679 1 35 ILE MD 1 66 CYS HA . . 5.500 3.960 3.752 4.169 . 0 0 "[ . 1 . 2]" 1
680 1 35 ILE MD 1 66 CYS HB2 . . 4.970 3.656 3.062 3.993 . 0 0 "[ . 1 . 2]" 1
681 1 35 ILE MD 1 66 CYS QB . . 4.360 2.424 2.180 2.965 . 0 0 "[ . 1 . 2]" 1
682 1 35 ILE MD 1 66 CYS HB3 . . 4.970 2.505 2.200 3.960 . 0 0 "[ . 1 . 2]" 1
683 1 35 ILE MD 1 88 PHE QD . . 5.500 5.321 4.920 5.497 . 0 0 "[ . 1 . 2]" 1
684 1 35 ILE MD 1 88 PHE QE . . 5.430 4.981 4.496 5.441 0.011 7 0 "[ . 1 . 2]" 1
685 1 35 ILE MD 1 93 LEU HA . . 5.500 5.470 4.821 5.533 0.033 20 0 "[ . 1 . 2]" 1
686 1 35 ILE MD 1 93 LEU QD . . 3.670 2.938 2.755 3.219 . 0 0 "[ . 1 . 2]" 1
687 1 35 ILE MD 1 94 ARG H . . 5.500 4.984 4.257 5.193 . 0 0 "[ . 1 . 2]" 1
688 1 35 ILE QG 1 48 PHE QE . . 5.340 5.277 4.877 5.378 0.038 13 0 "[ . 1 . 2]" 1
689 1 35 ILE QG 1 48 PHE HZ . . 5.340 4.586 4.344 4.686 . 0 0 "[ . 1 . 2]" 1
690 1 35 ILE QG 1 65 CYS HA . . 5.340 3.376 2.777 3.993 . 0 0 "[ . 1 . 2]" 1
691 1 35 ILE QG 1 93 LEU QD . . 4.070 1.982 1.833 2.212 . 0 0 "[ . 1 . 2]" 1
692 1 35 ILE MG 1 39 ALA MB . . 3.500 1.789 1.711 1.919 . 0 0 "[ . 1 . 2]" 1
693 1 35 ILE MG 1 44 LEU MD1 . . 4.020 2.998 2.847 3.235 . 0 0 "[ . 1 . 2]" 1
694 1 35 ILE MG 1 44 LEU MD2 . . 4.020 2.513 2.331 2.792 . 0 0 "[ . 1 . 2]" 1
695 1 35 ILE MG 1 59 HIS HD2 . . 5.110 2.939 2.599 3.312 . 0 0 "[ . 1 . 2]" 1
696 1 35 ILE MG 1 65 CYS HA . . 5.500 4.865 4.534 5.382 . 0 0 "[ . 1 . 2]" 1
697 1 35 ILE MG 1 88 PHE QD . . 3.890 3.734 3.543 3.902 0.012 19 0 "[ . 1 . 2]" 1
698 1 35 ILE MG 1 88 PHE QE . . 3.930 3.215 3.025 3.425 . 0 0 "[ . 1 . 2]" 1
699 1 36 PRO HA 1 37 HIS HD2 . . 5.430 4.844 3.916 5.419 . 0 0 "[ . 1 . 2]" 1
700 1 36 PRO HA 1 38 PHE H . . 5.500 4.018 3.845 4.168 . 0 0 "[ . 1 . 2]" 1
701 1 36 PRO HA 1 38 PHE QE . . 5.500 4.611 4.245 4.844 . 0 0 "[ . 1 . 2]" 1
702 1 36 PRO HA 1 91 ARG QD . . 4.580 3.607 2.999 4.113 . 0 0 "[ . 1 . 2]" 1
703 1 36 PRO QB 1 38 PHE H . . 4.790 2.261 2.118 2.394 . 0 0 "[ . 1 . 2]" 1
704 1 36 PRO QB 1 38 PHE QE . . 3.960 2.563 2.206 2.862 . 0 0 "[ . 1 . 2]" 1
705 1 36 PRO QB 1 39 ALA H . . 4.960 3.839 3.249 4.166 . 0 0 "[ . 1 . 2]" 1
706 1 36 PRO QB 1 88 PHE QD . . 5.340 4.941 4.733 5.098 . 0 0 "[ . 1 . 2]" 1
707 1 36 PRO QB 1 88 PHE QE . . 5.340 5.236 5.082 5.338 . 0 0 "[ . 1 . 2]" 1
708 1 36 PRO HB2 1 38 PHE H . . 5.500 2.274 2.128 2.410 . 0 0 "[ . 1 . 2]" 1
709 1 36 PRO HB2 1 38 PHE QD . . 5.500 2.861 2.115 3.272 . 0 0 "[ . 1 . 2]" 1
710 1 36 PRO HB2 1 38 PHE QE . . 4.620 2.838 2.488 3.119 . 0 0 "[ . 1 . 2]" 1
711 1 36 PRO HB3 1 38 PHE H . . 5.500 3.970 3.842 4.093 . 0 0 "[ . 1 . 2]" 1
712 1 36 PRO HB3 1 38 PHE QD . . 5.500 3.984 3.336 4.333 . 0 0 "[ . 1 . 2]" 1
713 1 36 PRO HB3 1 38 PHE QE . . 4.620 2.932 2.422 3.331 . 0 0 "[ . 1 . 2]" 1
714 1 36 PRO QD 1 39 ALA MB . . 4.980 2.439 2.330 2.620 . 0 0 "[ . 1 . 2]" 1
715 1 36 PRO QD 1 88 PHE QD . . 4.080 2.686 2.483 2.878 . 0 0 "[ . 1 . 2]" 1
716 1 36 PRO QD 1 88 PHE QE . . 4.630 3.186 2.963 3.383 . 0 0 "[ . 1 . 2]" 1
717 1 36 PRO QD 1 93 LEU QD . . 4.320 2.415 2.223 2.666 . 0 0 "[ . 1 . 2]" 1
718 1 36 PRO HD2 1 88 PHE QD . . 4.780 2.885 2.602 3.099 . 0 0 "[ . 1 . 2]" 1
719 1 36 PRO HD2 1 88 PHE QE . . 5.500 3.258 3.016 3.473 . 0 0 "[ . 1 . 2]" 1
720 1 36 PRO HD3 1 88 PHE QD . . 4.780 3.214 3.004 3.490 . 0 0 "[ . 1 . 2]" 1
721 1 36 PRO HD3 1 88 PHE QE . . 5.500 4.514 4.279 4.726 . 0 0 "[ . 1 . 2]" 1
722 1 36 PRO QG 1 38 PHE QE . . 4.370 2.472 1.958 3.208 . 0 0 "[ . 1 . 2]" 1
723 1 36 PRO QG 1 39 ALA MB . . 4.780 1.978 1.830 2.335 . 0 0 "[ . 1 . 2]" 1
724 1 36 PRO QG 1 88 PHE QD . . 4.580 3.131 2.911 3.320 . 0 0 "[ . 1 . 2]" 1
725 1 36 PRO QG 1 88 PHE QE . . 4.780 3.271 3.117 3.374 . 0 0 "[ . 1 . 2]" 1
726 1 36 PRO HG2 1 38 PHE QE . . 5.000 3.268 2.810 3.938 . 0 0 "[ . 1 . 2]" 1
727 1 36 PRO HG2 1 39 ALA MB . . 5.500 1.993 1.842 2.360 . 0 0 "[ . 1 . 2]" 1
728 1 36 PRO HG2 1 88 PHE QD . . 5.320 3.818 3.588 4.096 . 0 0 "[ . 1 . 2]" 1
729 1 36 PRO HG2 1 88 PHE QE . . 5.500 3.463 3.339 3.603 . 0 0 "[ . 1 . 2]" 1
730 1 36 PRO HG3 1 38 PHE QE . . 5.000 2.565 1.998 3.399 . 0 0 "[ . 1 . 2]" 1
731 1 36 PRO HG3 1 39 ALA MB . . 5.500 3.315 3.099 3.698 . 0 0 "[ . 1 . 2]" 1
732 1 36 PRO HG3 1 88 PHE QD . . 5.320 3.328 3.079 3.510 . 0 0 "[ . 1 . 2]" 1
733 1 36 PRO HG3 1 88 PHE QE . . 5.500 4.028 3.733 4.269 . 0 0 "[ . 1 . 2]" 1
734 1 37 HIS HA 1 37 HIS HD2 . . 4.940 4.500 4.245 4.832 . 0 0 "[ . 1 . 2]" 1
735 1 37 HIS QB 1 38 PHE QD . . 5.340 4.709 4.493 4.993 . 0 0 "[ . 1 . 2]" 1
736 1 37 HIS HD2 1 38 PHE HA . . 5.500 4.569 3.429 5.484 . 0 0 "[ . 1 . 2]" 1
737 1 38 PHE H 1 38 PHE QD . . 4.520 2.571 2.069 2.912 . 0 0 "[ . 1 . 2]" 1
738 1 38 PHE H 1 38 PHE QE . . 5.500 3.968 3.849 4.121 . 0 0 "[ . 1 . 2]" 1
739 1 38 PHE H 1 39 ALA H . . 4.250 2.806 2.325 3.025 . 0 0 "[ . 1 . 2]" 1
740 1 38 PHE H 1 39 ALA MB . . 5.230 3.957 3.793 4.092 . 0 0 "[ . 1 . 2]" 1
741 1 38 PHE QD 1 39 ALA HA . . 4.840 3.709 3.319 4.154 . 0 0 "[ . 1 . 2]" 1
742 1 38 PHE QD 1 39 ALA MB . . 5.240 3.810 3.323 4.390 . 0 0 "[ . 1 . 2]" 1
743 1 38 PHE QD 1 40 THR H . . 5.500 5.263 4.749 5.492 . 0 0 "[ . 1 . 2]" 1
744 1 38 PHE QE 1 39 ALA HA . . 5.500 5.092 4.259 5.443 . 0 0 "[ . 1 . 2]" 1
745 1 38 PHE QE 1 39 ALA MB . . 5.410 4.237 3.766 4.613 . 0 0 "[ . 1 . 2]" 1
746 1 38 PHE QE 1 89 GLN HA . . 5.500 4.704 4.263 5.040 . 0 0 "[ . 1 . 2]" 1
747 1 38 PHE QE 1 89 GLN HB2 . . 4.630 2.562 2.030 3.652 . 0 0 "[ . 1 . 2]" 1
748 1 38 PHE QE 1 89 GLN QB . . 3.950 2.132 1.878 2.521 . 0 0 "[ . 1 . 2]" 1
749 1 38 PHE QE 1 89 GLN HB3 . . 4.630 2.412 1.995 2.989 . 0 0 "[ . 1 . 2]" 1
750 1 38 PHE QE 1 89 GLN QE . . 5.340 3.700 2.669 4.602 . 0 0 "[ . 1 . 2]" 1
751 1 38 PHE QE 1 89 GLN QG . . 5.280 3.422 2.014 4.225 . 0 0 "[ . 1 . 2]" 1
752 1 38 PHE QE 1 91 ARG QD . . 5.210 3.980 3.152 4.984 . 0 0 "[ . 1 . 2]" 1
753 1 39 ALA H 1 39 ALA MB . . 3.600 2.305 2.143 2.431 . 0 0 "[ . 1 . 2]" 1
754 1 39 ALA H 1 40 THR H . . 5.500 4.117 3.764 4.378 . 0 0 "[ . 1 . 2]" 1
755 1 39 ALA HA 1 44 LEU QD . . 5.440 2.821 2.599 2.980 . 0 0 "[ . 1 . 2]" 1
756 1 39 ALA HA 1 88 PHE QE . . 5.500 3.533 3.072 3.878 . 0 0 "[ . 1 . 2]" 1
757 1 39 ALA HA 1 88 PHE HZ . . 5.500 4.271 3.925 4.497 . 0 0 "[ . 1 . 2]" 1
758 1 39 ALA HA 1 89 GLN HE21 . . 5.500 4.092 3.331 5.209 . 0 0 "[ . 1 . 2]" 1
759 1 39 ALA HA 1 89 GLN HE22 . . 5.500 3.629 2.744 5.067 . 0 0 "[ . 1 . 2]" 1
760 1 39 ALA MB 1 40 THR H . . 3.680 3.437 3.137 3.637 . 0 0 "[ . 1 . 2]" 1
761 1 39 ALA MB 1 43 ASP HB2 . . 5.500 5.238 4.964 5.503 0.003 6 0 "[ . 1 . 2]" 1
762 1 39 ALA MB 1 43 ASP QB . . 4.730 4.480 4.284 4.642 . 0 0 "[ . 1 . 2]" 1
763 1 39 ALA MB 1 43 ASP HB3 . . 5.500 4.874 4.654 5.184 . 0 0 "[ . 1 . 2]" 1
764 1 39 ALA MB 1 44 LEU MD1 . . 3.970 1.806 1.748 1.876 . 0 0 "[ . 1 . 2]" 1
765 1 39 ALA MB 1 44 LEU MD2 . . 3.970 2.720 2.535 2.862 . 0 0 "[ . 1 . 2]" 1
766 1 39 ALA MB 1 44 LEU HG . . 3.890 3.859 3.737 3.902 0.012 8 0 "[ . 1 . 2]" 1
767 1 39 ALA MB 1 88 PHE QD . . 3.790 3.522 3.323 3.708 . 0 0 "[ . 1 . 2]" 1
768 1 39 ALA MB 1 88 PHE QE . . 3.950 2.039 1.910 2.212 . 0 0 "[ . 1 . 2]" 1
769 1 39 ALA MB 1 88 PHE HZ . . 4.660 3.636 3.412 3.873 . 0 0 "[ . 1 . 2]" 1
770 1 39 ALA MB 1 89 GLN HE21 . . 5.500 4.206 3.125 5.254 . 0 0 "[ . 1 . 2]" 1
771 1 39 ALA MB 1 89 GLN HE22 . . 5.500 4.139 2.628 5.329 . 0 0 "[ . 1 . 2]" 1
772 1 40 THR H 1 40 THR MG . . 3.680 2.914 2.607 3.143 . 0 0 "[ . 1 . 2]" 1
773 1 40 THR H 1 41 GLU H . . 5.390 4.517 4.468 4.579 . 0 0 "[ . 1 . 2]" 1
774 1 40 THR H 1 43 ASP H . . 5.270 3.866 3.631 4.128 . 0 0 "[ . 1 . 2]" 1
775 1 40 THR H 1 43 ASP HB2 . . 5.100 3.341 3.046 3.634 . 0 0 "[ . 1 . 2]" 1
776 1 40 THR H 1 43 ASP QB . . 4.280 3.200 2.934 3.474 . 0 0 "[ . 1 . 2]" 1
777 1 40 THR H 1 43 ASP HB3 . . 5.100 4.129 3.736 4.636 . 0 0 "[ . 1 . 2]" 1
778 1 40 THR H 1 44 LEU QD . . 5.440 2.935 2.531 3.353 . 0 0 "[ . 1 . 2]" 1
779 1 40 THR H 1 88 PHE HZ . . 5.500 5.099 4.610 5.513 0.013 19 0 "[ . 1 . 2]" 1
780 1 40 THR HA 1 41 GLU HB2 . . 5.500 5.491 5.436 5.527 0.027 17 0 "[ . 1 . 2]" 1
781 1 40 THR HA 1 41 GLU HB3 . . 5.500 5.610 5.582 5.643 0.143 7 0 "[ . 1 . 2]" 1
782 1 40 THR HA 1 41 GLU HG2 . . 5.500 5.324 5.278 5.380 . 0 0 "[ . 1 . 2]" 1
783 1 40 THR HA 1 41 GLU HG3 . . 5.500 3.632 3.570 3.704 . 0 0 "[ . 1 . 2]" 1
784 1 40 THR HA 1 42 ALA H . . 5.500 4.277 4.222 4.365 . 0 0 "[ . 1 . 2]" 1
785 1 40 THR HA 1 59 HIS HE1 . . 4.560 3.017 2.617 3.217 . 0 0 "[ . 1 . 2]" 1
786 1 40 THR HB 1 41 GLU H . . 3.990 2.230 2.151 2.322 . 0 0 "[ . 1 . 2]" 1
787 1 40 THR HB 1 41 GLU HB2 . . 5.500 4.600 4.547 4.650 . 0 0 "[ . 1 . 2]" 1
788 1 40 THR HB 1 41 GLU HB3 . . 5.500 5.503 5.466 5.559 0.059 19 0 "[ . 1 . 2]" 1
789 1 40 THR HB 1 41 GLU HG2 . . 5.500 5.270 5.169 5.422 . 0 0 "[ . 1 . 2]" 1
790 1 40 THR HB 1 41 GLU QG . . 4.780 3.944 3.832 4.037 . 0 0 "[ . 1 . 2]" 1
791 1 40 THR HB 1 41 GLU HG3 . . 5.500 4.073 3.950 4.176 . 0 0 "[ . 1 . 2]" 1
792 1 40 THR HB 1 42 ALA H . . 4.490 2.569 2.480 2.757 . 0 0 "[ . 1 . 2]" 1
793 1 40 THR HB 1 42 ALA MB . . 5.040 3.303 3.157 3.581 . 0 0 "[ . 1 . 2]" 1
794 1 40 THR HB 1 44 LEU QD . . 5.440 4.773 4.663 4.907 . 0 0 "[ . 1 . 2]" 1
795 1 40 THR HB 1 59 HIS HE1 . . 5.500 5.218 4.796 5.513 0.013 19 0 "[ . 1 . 2]" 1
796 1 40 THR MG 1 41 GLU H . . 4.440 3.463 3.341 3.606 . 0 0 "[ . 1 . 2]" 1
797 1 40 THR MG 1 59 HIS HE1 . . 4.410 3.411 3.121 3.692 . 0 0 "[ . 1 . 2]" 1
798 1 41 GLU H 1 41 GLU HG2 . . 4.340 3.301 3.283 3.326 . 0 0 "[ . 1 . 2]" 1
799 1 41 GLU H 1 41 GLU HG3 . . 4.340 1.942 1.905 1.989 . 0 0 "[ . 1 . 2]" 1
800 1 41 GLU H 1 42 ALA H . . 4.590 2.589 2.562 2.691 . 0 0 "[ . 1 . 2]" 1
801 1 41 GLU H 1 43 ASP H . . 5.500 4.182 4.151 4.205 . 0 0 "[ . 1 . 2]" 1
802 1 41 GLU H 1 44 LEU QB . . 4.980 4.114 4.030 4.241 . 0 0 "[ . 1 . 2]" 1
803 1 41 GLU H 1 44 LEU QD . . 5.440 4.188 4.117 4.281 . 0 0 "[ . 1 . 2]" 1
804 1 41 GLU HA 1 43 ASP H . . 5.420 3.743 3.676 3.799 . 0 0 "[ . 1 . 2]" 1
805 1 41 GLU HA 1 44 LEU H . . 4.430 2.797 2.728 2.878 . 0 0 "[ . 1 . 2]" 1
806 1 41 GLU HA 1 44 LEU QB . . 4.090 2.104 1.995 2.233 . 0 0 "[ . 1 . 2]" 1
807 1 41 GLU HA 1 44 LEU QD . . 4.340 3.350 3.240 3.460 . 0 0 "[ . 1 . 2]" 1
808 1 41 GLU HA 1 44 LEU HG . . 5.500 5.104 4.996 5.237 . 0 0 "[ . 1 . 2]" 1
809 1 41 GLU HA 1 45 ILE H . . 4.840 2.293 2.201 2.412 . 0 0 "[ . 1 . 2]" 1
810 1 41 GLU HA 1 45 ILE HA . . 5.460 4.377 4.269 4.503 . 0 0 "[ . 1 . 2]" 1
811 1 41 GLU HA 1 45 ILE QG . . 5.340 2.541 2.270 2.790 . 0 0 "[ . 1 . 2]" 1
812 1 41 GLU HA 1 46 PRO QD . . 5.300 4.046 3.996 4.153 . 0 0 "[ . 1 . 2]" 1
813 1 41 GLU HA 1 57 PHE HD2 . . 5.420 3.507 3.210 3.779 . 0 0 "[ . 1 . 2]" 1
814 1 41 GLU HA 1 57 PHE HE2 . . 4.990 2.318 2.196 2.427 . 0 0 "[ . 1 . 2]" 1
815 1 41 GLU QB 1 42 ALA H . . 4.200 2.926 2.771 2.973 . 0 0 "[ . 1 . 2]" 1
816 1 41 GLU QB 1 42 ALA MB . . 5.340 4.088 4.028 4.144 . 0 0 "[ . 1 . 2]" 1
817 1 41 GLU QB 1 45 ILE H . . 5.340 3.233 3.089 3.383 . 0 0 "[ . 1 . 2]" 1
818 1 41 GLU QB 1 45 ILE MD . . 4.390 2.390 1.926 2.641 . 0 0 "[ . 1 . 2]" 1
819 1 41 GLU QB 1 45 ILE QG . . 5.180 1.714 1.673 1.793 . 0 0 "[ . 1 . 2]" 1
820 1 41 GLU QB 1 57 PHE HD2 . . 4.400 2.051 1.981 2.203 . 0 0 "[ . 1 . 2]" 1
821 1 41 GLU QB 1 57 PHE HE2 . . 5.340 2.688 2.492 2.977 . 0 0 "[ . 1 . 2]" 1
822 1 41 GLU HB2 1 42 ALA H . . 4.850 2.987 2.818 3.038 . 0 0 "[ . 1 . 2]" 1
823 1 41 GLU HB2 1 45 ILE MD . . 5.200 3.262 2.796 3.509 . 0 0 "[ . 1 . 2]" 1
824 1 41 GLU HB2 1 57 PHE HD2 . . 5.020 3.732 3.626 3.909 . 0 0 "[ . 1 . 2]" 1
825 1 41 GLU HB3 1 42 ALA H . . 4.850 4.193 4.093 4.223 . 0 0 "[ . 1 . 2]" 1
826 1 41 GLU HB3 1 45 ILE MD . . 5.200 2.460 1.958 2.741 . 0 0 "[ . 1 . 2]" 1
827 1 41 GLU HB3 1 57 PHE HD2 . . 5.020 2.060 1.990 2.215 . 0 0 "[ . 1 . 2]" 1
828 1 41 GLU QG 1 42 ALA H . . 4.750 3.934 3.893 3.974 . 0 0 "[ . 1 . 2]" 1
829 1 41 GLU QG 1 42 ALA MB . . 5.340 5.139 5.100 5.169 . 0 0 "[ . 1 . 2]" 1
830 1 41 GLU QG 1 45 ILE H . . 5.340 4.721 4.638 4.796 . 0 0 "[ . 1 . 2]" 1
831 1 41 GLU QG 1 45 ILE MD . . 4.400 3.474 3.126 3.649 . 0 0 "[ . 1 . 2]" 1
832 1 41 GLU QG 1 45 ILE QG . . 4.510 3.374 3.308 3.479 . 0 0 "[ . 1 . 2]" 1
833 1 41 GLU QG 1 45 ILE MG . . 5.340 5.459 5.404 5.485 0.145 14 0 "[ . 1 . 2]" 1
834 1 41 GLU QG 1 57 PHE HE2 . . 5.340 3.000 2.830 3.349 . 0 0 "[ . 1 . 2]" 1
835 1 41 GLU QG 1 59 HIS HD2 . . 5.340 5.345 5.227 5.368 0.028 19 0 "[ . 1 . 2]" 1
836 1 41 GLU HG2 1 45 ILE MD . . 5.030 3.605 3.226 3.800 . 0 0 "[ . 1 . 2]" 1
837 1 41 GLU HG3 1 45 ILE MD . . 5.030 4.549 4.131 4.750 . 0 0 "[ . 1 . 2]" 1
838 1 42 ALA H 1 42 ALA MB . . 3.420 2.081 2.025 2.233 . 0 0 "[ . 1 . 2]" 1
839 1 42 ALA H 1 43 ASP H . . 3.700 2.689 2.632 2.751 . 0 0 "[ . 1 . 2]" 1
840 1 42 ALA H 1 44 LEU H . . 5.500 3.802 3.766 3.843 . 0 0 "[ . 1 . 2]" 1
841 1 42 ALA HA 1 44 LEU H . . 5.500 4.348 4.311 4.442 . 0 0 "[ . 1 . 2]" 1
842 1 42 ALA HA 1 45 ILE H . . 5.500 4.547 4.465 4.608 . 0 0 "[ . 1 . 2]" 1
843 1 42 ALA HA 1 45 ILE HB . . 5.500 3.762 3.697 3.922 . 0 0 "[ . 1 . 2]" 1
844 1 42 ALA HA 1 45 ILE MD . . 5.500 5.331 5.027 5.484 . 0 0 "[ . 1 . 2]" 1
845 1 42 ALA HA 1 46 PRO HD2 . . 5.500 4.204 4.129 4.336 . 0 0 "[ . 1 . 2]" 1
846 1 42 ALA HA 1 46 PRO HD3 . . 5.500 3.475 3.405 3.588 . 0 0 "[ . 1 . 2]" 1
847 1 42 ALA MB 1 43 ASP H . . 4.200 2.905 2.839 2.945 . 0 0 "[ . 1 . 2]" 1
848 1 42 ALA MB 1 43 ASP HA . . 5.500 3.993 3.962 4.061 . 0 0 "[ . 1 . 2]" 1
849 1 42 ALA MB 1 44 LEU H . . 5.500 4.404 4.376 4.436 . 0 0 "[ . 1 . 2]" 1
850 1 43 ASP H 1 44 LEU H . . 4.110 1.970 1.952 1.996 . 0 0 "[ . 1 . 2]" 1
851 1 43 ASP H 1 44 LEU MD1 . . 5.500 3.508 3.446 3.632 . 0 0 "[ . 1 . 2]" 1
852 1 43 ASP H 1 44 LEU MD2 . . 5.500 5.539 5.513 5.567 0.067 14 0 "[ . 1 . 2]" 1
853 1 43 ASP H 1 45 ILE H . . 5.500 3.902 3.810 3.972 . 0 0 "[ . 1 . 2]" 1
854 1 43 ASP HA 1 45 ILE H . . 5.500 5.031 4.926 5.116 . 0 0 "[ . 1 . 2]" 1
855 1 43 ASP HA 1 46 PRO QD . . 5.350 3.366 3.259 3.430 . 0 0 "[ . 1 . 2]" 1
856 1 43 ASP HA 1 88 PHE HZ . . 5.500 5.277 4.791 5.511 0.011 7 0 "[ . 1 . 2]" 1
857 1 43 ASP QB 1 44 LEU H . . 4.340 3.188 3.117 3.214 . 0 0 "[ . 1 . 2]" 1
858 1 43 ASP QB 1 44 LEU QD . . 4.790 2.797 2.703 2.892 . 0 0 "[ . 1 . 2]" 1
859 1 43 ASP QB 1 44 LEU HG . . 4.760 4.789 4.766 4.855 0.095 19 0 "[ . 1 . 2]" 1
860 1 43 ASP QB 1 88 PHE HZ . . 4.010 2.919 2.507 3.281 . 0 0 "[ . 1 . 2]" 1
861 1 43 ASP HB2 1 88 PHE QE . . 5.500 5.350 5.080 5.503 0.003 19 0 "[ . 1 . 2]" 1
862 1 43 ASP HB2 1 88 PHE HZ . . 4.690 4.467 4.156 4.698 0.008 19 0 "[ . 1 . 2]" 1
863 1 43 ASP HB2 1 89 GLN HE21 . . 5.500 4.643 4.090 5.424 . 0 0 "[ . 1 . 2]" 1
864 1 43 ASP HB2 1 89 GLN HE22 . . 5.500 4.018 3.491 4.642 . 0 0 "[ . 1 . 2]" 1
865 1 43 ASP HB3 1 88 PHE QE . . 5.500 4.030 3.713 4.291 . 0 0 "[ . 1 . 2]" 1
866 1 43 ASP HB3 1 88 PHE HZ . . 4.690 2.960 2.528 3.354 . 0 0 "[ . 1 . 2]" 1
867 1 43 ASP HB3 1 89 GLN HE21 . . 5.500 3.708 3.073 5.053 . 0 0 "[ . 1 . 2]" 1
868 1 43 ASP HB3 1 89 GLN HE22 . . 5.500 3.337 2.356 4.063 . 0 0 "[ . 1 . 2]" 1
869 1 44 LEU H 1 44 LEU MD1 . . 4.950 2.728 2.586 2.845 . 0 0 "[ . 1 . 2]" 1
870 1 44 LEU H 1 44 LEU QD . . 4.340 2.701 2.566 2.810 . 0 0 "[ . 1 . 2]" 1
871 1 44 LEU H 1 44 LEU MD2 . . 4.950 4.344 4.296 4.374 . 0 0 "[ . 1 . 2]" 1
872 1 44 LEU H 1 44 LEU HG . . 4.260 4.183 4.135 4.218 . 0 0 "[ . 1 . 2]" 1
873 1 44 LEU H 1 45 ILE H . . 4.270 2.361 2.302 2.406 . 0 0 "[ . 1 . 2]" 1
874 1 44 LEU H 1 45 ILE HA . . 5.500 4.956 4.905 5.002 . 0 0 "[ . 1 . 2]" 1
875 1 44 LEU H 1 45 ILE HB . . 5.500 4.296 4.210 4.523 . 0 0 "[ . 1 . 2]" 1
876 1 44 LEU H 1 45 ILE QG . . 5.340 4.041 3.737 4.181 . 0 0 "[ . 1 . 2]" 1
877 1 44 LEU H 1 46 PRO QD . . 5.350 2.647 2.608 2.713 . 0 0 "[ . 1 . 2]" 1
878 1 44 LEU H 1 48 PHE QD . . 5.500 5.521 5.495 5.546 0.046 18 0 "[ . 1 . 2]" 1
879 1 44 LEU HA 1 44 LEU MD1 . . 4.570 2.803 2.675 2.871 . 0 0 "[ . 1 . 2]" 1
880 1 44 LEU HA 1 44 LEU QD . . 3.580 2.717 2.615 2.770 . 0 0 "[ . 1 . 2]" 1
881 1 44 LEU HA 1 44 LEU MD2 . . 4.570 3.651 3.638 3.688 . 0 0 "[ . 1 . 2]" 1
882 1 44 LEU HA 1 47 LEU H . . 5.500 3.204 3.140 3.261 . 0 0 "[ . 1 . 2]" 1
883 1 44 LEU HA 1 47 LEU HB2 . . 5.500 3.399 3.263 3.642 . 0 0 "[ . 1 . 2]" 1
884 1 44 LEU HA 1 47 LEU QB . . 4.780 2.083 2.058 2.118 . 0 0 "[ . 1 . 2]" 1
885 1 44 LEU HA 1 47 LEU HB3 . . 5.500 2.102 2.070 2.145 . 0 0 "[ . 1 . 2]" 1
886 1 44 LEU HA 1 47 LEU QD . . 4.890 3.079 2.024 3.422 . 0 0 "[ . 1 . 2]" 1
887 1 44 LEU HA 1 47 LEU HG . . 5.500 3.625 3.394 3.735 . 0 0 "[ . 1 . 2]" 1
888 1 44 LEU HA 1 48 PHE QD . . 5.220 3.951 3.850 4.025 . 0 0 "[ . 1 . 2]" 1
889 1 44 LEU HA 1 48 PHE QE . . 5.500 3.465 3.355 3.638 . 0 0 "[ . 1 . 2]" 1
890 1 44 LEU HA 1 48 PHE HZ . . 5.500 5.083 4.994 5.253 . 0 0 "[ . 1 . 2]" 1
891 1 44 LEU HA 1 88 PHE QE . . 5.500 4.105 3.433 4.346 . 0 0 "[ . 1 . 2]" 1
892 1 44 LEU HA 1 88 PHE HZ . . 5.270 3.546 3.178 3.826 . 0 0 "[ . 1 . 2]" 1
893 1 44 LEU QB 1 45 ILE H . . 4.360 2.463 2.415 2.524 . 0 0 "[ . 1 . 2]" 1
894 1 44 LEU QB 1 48 PHE QD . . 4.740 3.074 2.924 3.190 . 0 0 "[ . 1 . 2]" 1
895 1 44 LEU QB 1 48 PHE QE . . 4.010 2.072 1.985 2.225 . 0 0 "[ . 1 . 2]" 1
896 1 44 LEU QB 1 48 PHE HZ . . 5.340 4.278 4.124 4.456 . 0 0 "[ . 1 . 2]" 1
897 1 44 LEU QB 1 57 PHE HD2 . . 4.260 4.270 3.947 4.337 0.077 5 0 "[ . 1 . 2]" 1
898 1 44 LEU QB 1 57 PHE HE1 . . 4.660 4.367 4.146 4.544 . 0 0 "[ . 1 . 2]" 1
899 1 44 LEU QB 1 57 PHE HE2 . . 4.340 2.638 2.181 2.735 . 0 0 "[ . 1 . 2]" 1
900 1 44 LEU HB2 1 45 ILE H . . 5.240 2.663 2.617 2.717 . 0 0 "[ . 1 . 2]" 1
901 1 44 LEU HB2 1 57 PHE HE2 . . 5.000 2.985 2.546 3.097 . 0 0 "[ . 1 . 2]" 1
902 1 44 LEU HB3 1 45 ILE H . . 5.240 2.902 2.831 2.997 . 0 0 "[ . 1 . 2]" 1
903 1 44 LEU HB3 1 57 PHE HE2 . . 5.000 2.941 2.372 3.100 . 0 0 "[ . 1 . 2]" 1
904 1 44 LEU QD 1 45 ILE H . . 5.440 3.870 3.823 3.902 . 0 0 "[ . 1 . 2]" 1
905 1 44 LEU QD 1 48 PHE QD . . 4.090 3.958 3.818 4.060 . 0 0 "[ . 1 . 2]" 1
906 1 44 LEU QD 1 48 PHE HZ . . 4.100 2.831 2.583 3.095 . 0 0 "[ . 1 . 2]" 1
907 1 44 LEU QD 1 57 PHE HD2 . . 5.440 4.881 4.624 4.962 . 0 0 "[ . 1 . 2]" 1
908 1 44 LEU QD 1 57 PHE HE1 . . 3.810 3.760 3.599 3.837 0.027 10 0 "[ . 1 . 2]" 1
909 1 44 LEU QD 1 57 PHE HE2 . . 3.850 2.987 2.653 3.137 . 0 0 "[ . 1 . 2]" 1
910 1 44 LEU QD 1 57 PHE HZ . . 4.760 2.077 1.966 2.164 . 0 0 "[ . 1 . 2]" 1
911 1 44 LEU QD 1 59 HIS HD2 . . 4.910 2.758 2.545 3.109 . 0 0 "[ . 1 . 2]" 1
912 1 44 LEU QD 1 59 HIS HE1 . . 4.540 4.422 4.228 4.556 0.016 6 0 "[ . 1 . 2]" 1
913 1 44 LEU QD 1 68 ILE MD . . 5.240 4.215 4.051 4.352 . 0 0 "[ . 1 . 2]" 1
914 1 44 LEU QD 1 88 PHE QD . . 4.640 3.857 3.695 3.969 . 0 0 "[ . 1 . 2]" 1
915 1 44 LEU QD 1 88 PHE QE . . 3.690 2.073 1.955 2.268 . 0 0 "[ . 1 . 2]" 1
916 1 44 LEU QD 1 88 PHE HZ . . 4.190 2.216 1.921 2.426 . 0 0 "[ . 1 . 2]" 1
917 1 44 LEU MD1 1 48 PHE QE . . 4.340 4.090 3.989 4.175 . 0 0 "[ . 1 . 2]" 1
918 1 44 LEU MD1 1 48 PHE HZ . . 4.990 4.999 4.968 5.012 0.022 19 0 "[ . 1 . 2]" 1
919 1 44 LEU MD1 1 88 PHE QD . . 5.380 4.043 3.829 4.167 . 0 0 "[ . 1 . 2]" 1
920 1 44 LEU MD1 1 88 PHE QE . . 4.240 2.083 1.965 2.280 . 0 0 "[ . 1 . 2]" 1
921 1 44 LEU MD1 1 88 PHE HZ . . 5.450 2.223 1.925 2.436 . 0 0 "[ . 1 . 2]" 1
922 1 44 LEU MD2 1 48 PHE QE . . 4.340 2.019 1.956 2.098 . 0 0 "[ . 1 . 2]" 1
923 1 44 LEU MD2 1 48 PHE HZ . . 4.990 2.847 2.591 3.125 . 0 0 "[ . 1 . 2]" 1
924 1 44 LEU MD2 1 88 PHE QD . . 5.380 4.876 4.724 5.099 . 0 0 "[ . 1 . 2]" 1
925 1 44 LEU MD2 1 88 PHE QE . . 4.240 3.743 3.459 4.016 . 0 0 "[ . 1 . 2]" 1
926 1 44 LEU MD2 1 88 PHE HZ . . 5.450 4.325 3.990 4.591 . 0 0 "[ . 1 . 2]" 1
927 1 44 LEU HG 1 45 ILE H . . 5.500 4.889 4.853 4.936 . 0 0 "[ . 1 . 2]" 1
928 1 44 LEU HG 1 47 LEU QB . . 3.660 3.678 3.608 3.757 0.097 19 0 "[ . 1 . 2]" 1
929 1 44 LEU HG 1 47 LEU HG . . 4.000 4.042 4.023 4.060 0.060 5 0 "[ . 1 . 2]" 1
930 1 44 LEU HG 1 48 PHE QE . . 5.500 2.788 2.565 2.956 . 0 0 "[ . 1 . 2]" 1
931 1 44 LEU HG 1 48 PHE HZ . . 5.500 3.764 3.716 3.855 . 0 0 "[ . 1 . 2]" 1
932 1 44 LEU HG 1 57 PHE HE2 . . 5.480 5.189 4.653 5.291 . 0 0 "[ . 1 . 2]" 1
933 1 44 LEU HG 1 88 PHE QE . . 5.400 3.630 3.412 3.883 . 0 0 "[ . 1 . 2]" 1
934 1 44 LEU HG 1 88 PHE HZ . . 4.910 3.227 2.790 3.571 . 0 0 "[ . 1 . 2]" 1
935 1 45 ILE H 1 45 ILE HB . . 3.880 2.586 2.526 2.746 . 0 0 "[ . 1 . 2]" 1
936 1 45 ILE H 1 45 ILE MD . . 4.840 3.811 3.565 3.899 . 0 0 "[ . 1 . 2]" 1
937 1 45 ILE H 1 45 ILE HG12 . . 4.470 2.236 1.888 2.369 . 0 0 "[ . 1 . 2]" 1
938 1 45 ILE H 1 45 ILE HG13 . . 4.470 3.042 2.952 3.129 . 0 0 "[ . 1 . 2]" 1
939 1 45 ILE H 1 45 ILE MG . . 4.780 3.774 3.762 3.783 . 0 0 "[ . 1 . 2]" 1
940 1 45 ILE H 1 46 PRO HD2 . . 4.440 2.251 2.198 2.309 . 0 0 "[ . 1 . 2]" 1
941 1 45 ILE H 1 46 PRO QD . . 3.680 2.206 2.155 2.262 . 0 0 "[ . 1 . 2]" 1
942 1 45 ILE H 1 46 PRO HD3 . . 4.440 3.173 3.099 3.246 . 0 0 "[ . 1 . 2]" 1
943 1 45 ILE H 1 47 LEU H . . 5.500 4.147 3.998 4.286 . 0 0 "[ . 1 . 2]" 1
944 1 45 ILE H 1 48 PHE H . . 5.500 5.078 5.004 5.136 . 0 0 "[ . 1 . 2]" 1
945 1 45 ILE H 1 48 PHE QD . . 5.500 4.093 4.027 4.200 . 0 0 "[ . 1 . 2]" 1
946 1 45 ILE HA 1 45 ILE MD . . 4.130 2.720 2.656 2.791 . 0 0 "[ . 1 . 2]" 1
947 1 45 ILE HA 1 47 LEU H . . 5.500 4.440 4.089 4.684 . 0 0 "[ . 1 . 2]" 1
948 1 45 ILE HA 1 48 PHE H . . 4.920 3.905 3.708 4.030 . 0 0 "[ . 1 . 2]" 1
949 1 45 ILE HA 1 48 PHE QD . . 4.340 2.824 2.705 2.984 . 0 0 "[ . 1 . 2]" 1
950 1 45 ILE HA 1 48 PHE QE . . 5.500 4.559 4.320 4.787 . 0 0 "[ . 1 . 2]" 1
951 1 45 ILE HA 1 49 GLN H . . 5.500 4.339 3.999 4.650 . 0 0 "[ . 1 . 2]" 1
952 1 45 ILE HA 1 54 ILE MD . . 5.070 2.767 2.633 2.890 . 0 0 "[ . 1 . 2]" 1
953 1 45 ILE HA 1 57 PHE QB . . 4.660 3.655 3.583 3.774 . 0 0 "[ . 1 . 2]" 1
954 1 45 ILE HA 1 57 PHE HD2 . . 5.500 3.789 3.604 4.027 . 0 0 "[ . 1 . 2]" 1
955 1 45 ILE HB 1 46 PRO HD2 . . 3.840 2.677 2.626 2.776 . 0 0 "[ . 1 . 2]" 1
956 1 45 ILE HB 1 46 PRO QD . . 3.330 1.781 1.750 1.794 . 0 0 "[ . 1 . 2]" 1
957 1 45 ILE HB 1 46 PRO HD3 . . 3.840 1.808 1.771 1.823 . 0 0 "[ . 1 . 2]" 1
958 1 45 ILE MD 1 45 ILE MG . . 3.530 1.754 1.742 1.768 . 0 0 "[ . 1 . 2]" 1
959 1 45 ILE MD 1 49 GLN QE . . 5.340 4.325 3.655 4.746 . 0 0 "[ . 1 . 2]" 1
960 1 45 ILE MD 1 54 ILE MD . . 3.920 3.141 2.925 3.408 . 0 0 "[ . 1 . 2]" 1
961 1 45 ILE MD 1 54 ILE MG . . 3.580 2.867 2.631 3.196 . 0 0 "[ . 1 . 2]" 1
962 1 45 ILE MD 1 57 PHE HB2 . . 4.920 2.216 2.103 2.465 . 0 0 "[ . 1 . 2]" 1
963 1 45 ILE MD 1 57 PHE HB3 . . 4.920 1.792 1.758 1.901 . 0 0 "[ . 1 . 2]" 1
964 1 45 ILE MD 1 57 PHE HD1 . . 4.280 4.251 4.196 4.331 0.051 19 0 "[ . 1 . 2]" 1
965 1 45 ILE MD 1 57 PHE HD2 . . 4.120 1.910 1.821 1.958 . 0 0 "[ . 1 . 2]" 1
966 1 45 ILE MG 1 46 PRO HA . . 5.120 3.233 3.113 3.550 . 0 0 "[ . 1 . 2]" 1
967 1 45 ILE MG 1 46 PRO QD . . 3.750 2.882 2.736 3.163 . 0 0 "[ . 1 . 2]" 1
968 1 45 ILE MG 1 49 GLN H . . 5.500 4.061 3.897 4.267 . 0 0 "[ . 1 . 2]" 1
969 1 45 ILE MG 1 49 GLN HB2 . . 5.500 3.642 3.004 4.281 . 0 0 "[ . 1 . 2]" 1
970 1 45 ILE MG 1 49 GLN QB . . 4.730 3.512 2.951 4.040 . 0 0 "[ . 1 . 2]" 1
971 1 45 ILE MG 1 49 GLN HB3 . . 5.500 4.672 4.324 4.955 . 0 0 "[ . 1 . 2]" 1
972 1 45 ILE MG 1 49 GLN QE . . 4.010 2.616 2.014 3.369 . 0 0 "[ . 1 . 2]" 1
973 1 45 ILE MG 1 49 GLN HG2 . . 4.820 3.869 2.848 4.820 . 0 0 "[ . 1 . 2]" 1
974 1 45 ILE MG 1 49 GLN QG . . 4.090 2.725 2.138 3.792 . 0 0 "[ . 1 . 2]" 1
975 1 45 ILE MG 1 49 GLN HG3 . . 4.820 2.800 2.167 3.967 . 0 0 "[ . 1 . 2]" 1
976 1 45 ILE MG 1 57 PHE QB . . 5.340 3.264 3.151 3.339 . 0 0 "[ . 1 . 2]" 1
977 1 45 ILE MG 1 57 PHE HD1 . . 5.500 5.579 5.532 5.623 0.123 16 0 "[ . 1 . 2]" 1
978 1 46 PRO HA 1 48 PHE H . . 5.500 3.885 3.776 4.044 . 0 0 "[ . 1 . 2]" 1
979 1 46 PRO HA 1 49 GLN H . . 5.210 3.151 3.028 3.386 . 0 0 "[ . 1 . 2]" 1
980 1 46 PRO HA 1 49 GLN QE . . 5.340 4.266 2.963 5.244 . 0 0 "[ . 1 . 2]" 1
981 1 46 PRO HA 1 49 GLN QG . . 4.440 3.319 2.216 4.293 . 0 0 "[ . 1 . 2]" 1
982 1 46 PRO QB 1 47 LEU H . . 4.090 3.181 3.026 3.400 . 0 0 "[ . 1 . 2]" 1
983 1 46 PRO QD 1 47 LEU H . . 4.560 2.611 2.602 2.647 . 0 0 "[ . 1 . 2]" 1
984 1 46 PRO QD 1 48 PHE H . . 4.800 4.285 4.242 4.331 . 0 0 "[ . 1 . 2]" 1
985 1 46 PRO HD2 1 47 LEU H . . 5.190 2.657 2.647 2.695 . 0 0 "[ . 1 . 2]" 1
986 1 46 PRO HD3 1 47 LEU H . . 5.190 3.842 3.836 3.869 . 0 0 "[ . 1 . 2]" 1
987 1 46 PRO HG2 1 47 LEU H . . 5.500 2.345 2.134 2.685 . 0 0 "[ . 1 . 2]" 1
988 1 46 PRO HG3 1 47 LEU H . . 5.500 3.863 3.707 4.117 . 0 0 "[ . 1 . 2]" 1
989 1 47 LEU H 1 47 LEU HB2 . . 4.100 2.952 2.854 3.287 . 0 0 "[ . 1 . 2]" 1
990 1 47 LEU H 1 47 LEU QB . . 3.590 2.108 2.023 2.134 . 0 0 "[ . 1 . 2]" 1
991 1 47 LEU H 1 47 LEU HB3 . . 4.100 2.162 2.043 2.203 . 0 0 "[ . 1 . 2]" 1
992 1 47 LEU H 1 47 LEU MD1 . . 5.340 3.624 3.356 4.252 . 0 0 "[ . 1 . 2]" 1
993 1 47 LEU H 1 47 LEU QD . . 4.670 3.379 3.226 3.634 . 0 0 "[ . 1 . 2]" 1
994 1 47 LEU H 1 47 LEU MD2 . . 5.340 4.127 3.876 4.183 . 0 0 "[ . 1 . 2]" 1
995 1 47 LEU H 1 47 LEU HG . . 4.690 4.416 3.573 4.572 . 0 0 "[ . 1 . 2]" 1
996 1 47 LEU H 1 48 PHE H . . 4.090 2.614 2.412 2.728 . 0 0 "[ . 1 . 2]" 1
997 1 47 LEU H 1 48 PHE QB . . 5.340 4.728 4.527 4.838 . 0 0 "[ . 1 . 2]" 1
998 1 47 LEU H 1 49 GLN H . . 5.500 4.040 3.801 4.189 . 0 0 "[ . 1 . 2]" 1
999 1 47 LEU HA 1 47 LEU QD . . 3.810 2.193 2.061 2.689 . 0 0 "[ . 1 . 2]" 1
1000 1 47 LEU HA 1 48 PHE QD . . 5.500 5.448 5.355 5.514 0.014 6 0 "[ . 1 . 2]" 1
1001 1 47 LEU HA 1 50 ASN H . . 5.500 4.289 4.124 4.434 . 0 0 "[ . 1 . 2]" 1
1002 1 47 LEU HA 1 50 ASN HD21 . . 4.670 3.092 2.443 4.086 . 0 0 "[ . 1 . 2]" 1
1003 1 47 LEU HA 1 50 ASN QD . . 3.880 2.833 2.318 3.808 . 0 0 "[ . 1 . 2]" 1
1004 1 47 LEU HA 1 50 ASN HD22 . . 4.670 3.572 2.547 4.560 . 0 0 "[ . 1 . 2]" 1
1005 1 47 LEU QB 1 48 PHE H . . 4.040 3.092 3.001 3.345 . 0 0 "[ . 1 . 2]" 1
1006 1 47 LEU QB 1 48 PHE QD . . 4.980 3.822 3.564 4.159 . 0 0 "[ . 1 . 2]" 1
1007 1 47 LEU QB 1 48 PHE QE . . 5.340 4.071 3.775 4.435 . 0 0 "[ . 1 . 2]" 1
1008 1 47 LEU HB2 1 48 PHE H . . 4.730 4.281 4.239 4.361 . 0 0 "[ . 1 . 2]" 1
1009 1 47 LEU HB3 1 48 PHE H . . 4.730 3.173 3.069 3.474 . 0 0 "[ . 1 . 2]" 1
1010 1 47 LEU QD 1 48 PHE QE . . 4.220 2.570 2.464 2.764 . 0 0 "[ . 1 . 2]" 1
1011 1 47 LEU QD 1 50 ASN QD . . 4.820 2.968 2.347 4.055 . 0 0 "[ . 1 . 2]" 1
1012 1 47 LEU QD 1 83 LEU QD . . 3.750 2.183 1.829 2.342 . 0 0 "[ . 1 . 2]" 1
1013 1 47 LEU QD 1 83 LEU HG . . 5.330 3.498 3.185 3.915 . 0 0 "[ . 1 . 2]" 1
1014 1 47 LEU QD 1 86 PHE QD . . 4.550 4.433 3.592 4.571 0.021 12 0 "[ . 1 . 2]" 1
1015 1 47 LEU QD 1 86 PHE QE . . 4.140 3.077 2.033 3.302 . 0 0 "[ . 1 . 2]" 1
1016 1 47 LEU QD 1 86 PHE HZ . . 4.660 2.875 2.289 3.134 . 0 0 "[ . 1 . 2]" 1
1017 1 47 LEU QD 1 88 PHE QD . . 4.240 3.583 2.871 3.896 . 0 0 "[ . 1 . 2]" 1
1018 1 47 LEU QD 1 88 PHE QE . . 4.060 3.378 2.090 3.722 . 0 0 "[ . 1 . 2]" 1
1019 1 47 LEU QD 1 88 PHE HZ . . 4.820 4.420 2.572 4.823 0.003 5 0 "[ . 1 . 2]" 1
1020 1 47 LEU MD1 1 48 PHE H . . 4.750 2.765 2.492 3.860 . 0 0 "[ . 1 . 2]" 1
1021 1 47 LEU MD1 1 48 PHE QD . . 5.130 2.599 2.386 3.431 . 0 0 "[ . 1 . 2]" 1
1022 1 47 LEU MD1 1 48 PHE QE . . 4.950 2.720 2.480 3.672 . 0 0 "[ . 1 . 2]" 1
1023 1 47 LEU MD1 1 48 PHE HZ . . 5.500 3.081 2.744 4.445 . 0 0 "[ . 1 . 2]" 1
1024 1 47 LEU MD1 1 51 PHE QE . . 4.900 2.689 2.419 3.209 . 0 0 "[ . 1 . 2]" 1
1025 1 47 LEU MD1 1 86 PHE QE . . 4.700 4.152 3.322 4.470 . 0 0 "[ . 1 . 2]" 1
1026 1 47 LEU MD1 1 86 PHE HZ . . 5.500 3.919 2.727 4.378 . 0 0 "[ . 1 . 2]" 1
1027 1 47 LEU MD1 1 88 PHE QD . . 5.050 4.753 3.772 5.058 0.008 9 0 "[ . 1 . 2]" 1
1028 1 47 LEU MD1 1 88 PHE QE . . 4.680 4.374 3.560 4.686 0.006 11 0 "[ . 1 . 2]" 1
1029 1 47 LEU MD1 1 88 PHE HZ . . 5.500 5.161 4.955 5.345 . 0 0 "[ . 1 . 2]" 1
1030 1 47 LEU MD2 1 48 PHE H . . 4.750 4.102 4.016 4.275 . 0 0 "[ . 1 . 2]" 1
1031 1 47 LEU MD2 1 48 PHE QD . . 5.130 4.137 3.613 4.368 . 0 0 "[ . 1 . 2]" 1
1032 1 47 LEU MD2 1 48 PHE QE . . 4.950 4.204 2.706 4.588 . 0 0 "[ . 1 . 2]" 1
1033 1 47 LEU MD2 1 48 PHE HZ . . 5.500 4.933 2.781 5.455 . 0 0 "[ . 1 . 2]" 1
1034 1 47 LEU MD2 1 51 PHE QE . . 4.900 3.674 3.244 4.852 . 0 0 "[ . 1 . 2]" 1
1035 1 47 LEU MD2 1 86 PHE QE . . 4.700 3.213 2.047 3.713 . 0 0 "[ . 1 . 2]" 1
1036 1 47 LEU MD2 1 86 PHE HZ . . 5.500 3.000 2.353 3.227 . 0 0 "[ . 1 . 2]" 1
1037 1 47 LEU MD2 1 88 PHE QD . . 5.050 3.710 2.966 4.055 . 0 0 "[ . 1 . 2]" 1
1038 1 47 LEU MD2 1 88 PHE QE . . 4.680 3.543 2.102 3.906 . 0 0 "[ . 1 . 2]" 1
1039 1 47 LEU MD2 1 88 PHE HZ . . 5.500 5.043 2.581 5.503 0.003 18 0 "[ . 1 . 2]" 1
1040 1 47 LEU HG 1 48 PHE H . . 5.500 4.591 2.831 5.014 . 0 0 "[ . 1 . 2]" 1
1041 1 47 LEU HG 1 48 PHE QD . . 5.010 4.606 2.998 4.952 . 0 0 "[ . 1 . 2]" 1
1042 1 47 LEU HG 1 48 PHE QE . . 5.500 4.275 3.278 4.579 . 0 0 "[ . 1 . 2]" 1
1043 1 47 LEU HG 1 83 LEU MD1 . . 5.080 3.741 3.460 4.308 . 0 0 "[ . 1 . 2]" 1
1044 1 47 LEU HG 1 83 LEU QD . . 4.280 3.542 3.314 3.911 . 0 0 "[ . 1 . 2]" 1
1045 1 47 LEU HG 1 83 LEU MD2 . . 5.080 4.427 4.161 4.911 . 0 0 "[ . 1 . 2]" 1
1046 1 47 LEU HG 1 88 PHE QE . . 4.810 3.418 2.743 4.808 . 0 0 "[ . 1 . 2]" 1
1047 1 47 LEU HG 1 88 PHE HZ . . 5.500 4.585 4.309 5.519 0.019 19 0 "[ . 1 . 2]" 1
1048 1 48 PHE H 1 48 PHE QD . . 4.610 2.856 2.745 3.004 . 0 0 "[ . 1 . 2]" 1
1049 1 48 PHE H 1 49 GLN H . . 4.250 2.146 2.089 2.220 . 0 0 "[ . 1 . 2]" 1
1050 1 48 PHE H 1 54 ILE MD . . 4.860 3.297 3.083 3.438 . 0 0 "[ . 1 . 2]" 1
1051 1 48 PHE H 1 70 TYR HH . . 5.500 5.078 4.996 5.324 . 0 0 "[ . 1 . 2]" 1
1052 1 48 PHE HA 1 48 PHE QD . . 3.800 2.634 2.526 2.733 . 0 0 "[ . 1 . 2]" 1
1053 1 48 PHE HA 1 48 PHE QE . . 5.500 4.555 4.513 4.613 . 0 0 "[ . 1 . 2]" 1
1054 1 48 PHE HA 1 50 ASN H . . 5.500 4.093 3.588 4.390 . 0 0 "[ . 1 . 2]" 1
1055 1 48 PHE HA 1 50 ASN QB . . 5.160 4.739 4.296 5.173 0.013 13 0 "[ . 1 . 2]" 1
1056 1 48 PHE HA 1 51 PHE QD . . 3.810 2.204 2.032 2.544 . 0 0 "[ . 1 . 2]" 1
1057 1 48 PHE HA 1 51 PHE QE . . 5.080 2.433 2.194 2.889 . 0 0 "[ . 1 . 2]" 1
1058 1 48 PHE HA 1 68 ILE MD . . 5.500 4.170 3.958 4.373 . 0 0 "[ . 1 . 2]" 1
1059 1 48 PHE HA 1 70 TYR QE . . 5.500 4.936 4.783 5.067 . 0 0 "[ . 1 . 2]" 1
1060 1 48 PHE HA 1 70 TYR HH . . 4.400 3.302 3.065 3.496 . 0 0 "[ . 1 . 2]" 1
1061 1 48 PHE HA 1 83 LEU QD . . 5.440 4.044 3.296 4.242 . 0 0 "[ . 1 . 2]" 1
1062 1 48 PHE QB 1 51 PHE QD . . 4.340 2.681 2.546 2.825 . 0 0 "[ . 1 . 2]" 1
1063 1 48 PHE QB 1 54 ILE MD . . 4.050 1.870 1.751 1.978 . 0 0 "[ . 1 . 2]" 1
1064 1 48 PHE QB 1 68 ILE MD . . 4.660 2.424 2.147 2.645 . 0 0 "[ . 1 . 2]" 1
1065 1 48 PHE QB 1 68 ILE MG . . 4.560 2.558 2.332 2.736 . 0 0 "[ . 1 . 2]" 1
1066 1 48 PHE QB 1 70 TYR HH . . 4.380 2.290 2.064 2.606 . 0 0 "[ . 1 . 2]" 1
1067 1 48 PHE QB 1 79 CYS QB . . 5.180 4.301 4.013 4.608 . 0 0 "[ . 1 . 2]" 1
1068 1 48 PHE HB2 1 49 GLN H . . 5.500 2.764 2.621 2.995 . 0 0 "[ . 1 . 2]" 1
1069 1 48 PHE HB2 1 54 ILE MD . . 4.660 1.903 1.776 2.013 . 0 0 "[ . 1 . 2]" 1
1070 1 48 PHE HB2 1 68 ILE MD . . 5.290 3.286 2.958 3.572 . 0 0 "[ . 1 . 2]" 1
1071 1 48 PHE HB2 1 68 ILE MG . . 5.170 2.903 2.651 3.151 . 0 0 "[ . 1 . 2]" 1
1072 1 48 PHE HB3 1 49 GLN H . . 5.500 3.795 3.676 3.960 . 0 0 "[ . 1 . 2]" 1
1073 1 48 PHE HB3 1 54 ILE MD . . 4.660 2.758 2.524 2.998 . 0 0 "[ . 1 . 2]" 1
1074 1 48 PHE HB3 1 68 ILE MD . . 5.290 2.497 2.205 2.726 . 0 0 "[ . 1 . 2]" 1
1075 1 48 PHE HB3 1 68 ILE MG . . 5.170 2.845 2.547 3.019 . 0 0 "[ . 1 . 2]" 1
1076 1 48 PHE QD 1 49 GLN H . . 5.500 4.147 4.044 4.295 . 0 0 "[ . 1 . 2]" 1
1077 1 48 PHE QD 1 51 PHE QD . . 3.830 2.955 2.565 3.086 . 0 0 "[ . 1 . 2]" 1
1078 1 48 PHE QD 1 51 PHE QE . . 3.350 2.070 1.993 2.273 . 0 0 "[ . 1 . 2]" 1
1079 1 48 PHE QD 1 54 ILE MD . . 5.030 3.244 3.030 3.457 . 0 0 "[ . 1 . 2]" 1
1080 1 48 PHE QD 1 68 ILE MD . . 4.480 2.433 2.347 2.531 . 0 0 "[ . 1 . 2]" 1
1081 1 48 PHE QD 1 68 ILE MG . . 4.840 3.682 3.491 3.820 . 0 0 "[ . 1 . 2]" 1
1082 1 48 PHE QD 1 70 TYR HH . . 5.190 3.985 3.604 4.401 . 0 0 "[ . 1 . 2]" 1
1083 1 48 PHE QD 1 79 CYS HG . . 5.130 3.345 2.784 4.138 . 0 0 "[ . 1 . 2]" 1
1084 1 48 PHE QD 1 83 LEU QD . . 3.690 3.227 1.931 3.440 . 0 0 "[ . 1 . 2]" 1
1085 1 48 PHE QD 1 83 LEU HG . . 4.800 3.551 3.261 4.836 0.036 18 0 "[ . 1 . 2]" 1
1086 1 48 PHE QE 1 57 PHE HE2 . . 4.680 4.324 3.679 4.555 . 0 0 "[ . 1 . 2]" 1
1087 1 48 PHE QE 1 66 CYS HB2 . . 5.500 4.481 4.119 4.759 . 0 0 "[ . 1 . 2]" 1
1088 1 48 PHE QE 1 66 CYS HB3 . . 5.500 4.805 4.357 5.111 . 0 0 "[ . 1 . 2]" 1
1089 1 48 PHE QE 1 66 CYS HG . . 4.640 2.442 2.035 3.859 . 0 0 "[ . 1 . 2]" 1
1090 1 48 PHE QE 1 68 ILE MD . . 4.690 2.769 2.626 2.895 . 0 0 "[ . 1 . 2]" 1
1091 1 48 PHE QE 1 79 CYS HG . . 5.130 3.957 3.294 4.866 . 0 0 "[ . 1 . 2]" 1
1092 1 48 PHE QE 1 83 LEU QD . . 3.600 2.478 1.692 2.686 . 0 0 "[ . 1 . 2]" 1
1093 1 48 PHE QE 1 83 LEU HG . . 4.610 2.241 2.042 3.689 . 0 0 "[ . 1 . 2]" 1
1094 1 48 PHE HZ 1 66 CYS HB2 . . 5.500 5.164 3.810 5.490 . 0 0 "[ . 1 . 2]" 1
1095 1 48 PHE HZ 1 66 CYS HB3 . . 5.500 5.150 4.804 5.424 . 0 0 "[ . 1 . 2]" 1
1096 1 48 PHE HZ 1 66 CYS HG . . 5.230 2.747 2.240 4.724 . 0 0 "[ . 1 . 2]" 1
1097 1 48 PHE HZ 1 68 ILE MD . . 5.500 3.180 2.954 3.380 . 0 0 "[ . 1 . 2]" 1
1098 1 48 PHE HZ 1 83 LEU HG . . 5.500 4.340 4.143 5.388 . 0 0 "[ . 1 . 2]" 1
1099 1 48 PHE HZ 1 93 LEU QD . . 4.420 3.197 2.781 3.467 . 0 0 "[ . 1 . 2]" 1
1100 1 49 GLN H 1 49 GLN HG2 . . 5.170 3.649 2.523 4.576 . 0 0 "[ . 1 . 2]" 1
1101 1 49 GLN H 1 49 GLN QG . . 4.360 3.008 2.443 3.724 . 0 0 "[ . 1 . 2]" 1
1102 1 49 GLN H 1 49 GLN HG3 . . 5.170 3.277 2.679 3.943 . 0 0 "[ . 1 . 2]" 1
1103 1 49 GLN H 1 50 ASN H . . 4.570 2.796 2.679 2.895 . 0 0 "[ . 1 . 2]" 1
1104 1 49 GLN H 1 50 ASN QD . . 5.340 4.643 3.534 5.342 0.002 13 0 "[ . 1 . 2]" 1
1105 1 49 GLN H 1 54 ILE MD . . 5.140 2.188 1.990 2.459 . 0 0 "[ . 1 . 2]" 1
1106 1 49 GLN HA 1 51 PHE H . . 5.320 3.562 3.403 3.734 . 0 0 "[ . 1 . 2]" 1
1107 1 49 GLN HA 1 52 GLY H . . 4.980 3.418 3.267 4.243 . 0 0 "[ . 1 . 2]" 1
1108 1 49 GLN HA 1 54 ILE MD . . 4.540 2.544 2.198 3.026 . 0 0 "[ . 1 . 2]" 1
1109 1 49 GLN HA 1 70 TYR QD . . 5.500 5.431 5.205 5.535 0.035 8 0 "[ . 1 . 2]" 1
1110 1 49 GLN HA 1 70 TYR QE . . 5.500 3.784 3.538 3.930 . 0 0 "[ . 1 . 2]" 1
1111 1 49 GLN HB2 1 50 ASN H . . 5.500 2.988 2.558 3.512 . 0 0 "[ . 1 . 2]" 1
1112 1 49 GLN HB2 1 54 ILE MD . . 5.500 3.038 2.025 3.934 . 0 0 "[ . 1 . 2]" 1
1113 1 49 GLN HB3 1 50 ASN H . . 5.500 3.216 2.783 3.406 . 0 0 "[ . 1 . 2]" 1
1114 1 49 GLN HB3 1 54 ILE MD . . 5.500 3.900 3.424 4.408 . 0 0 "[ . 1 . 2]" 1
1115 1 49 GLN QE 1 54 ILE MD . . 4.840 3.446 2.265 3.901 . 0 0 "[ . 1 . 2]" 1
1116 1 49 GLN HE21 1 54 ILE MD . . 5.500 3.563 2.286 4.055 . 0 0 "[ . 1 . 2]" 1
1117 1 49 GLN HE22 1 54 ILE MD . . 5.500 4.665 3.680 5.150 . 0 0 "[ . 1 . 2]" 1
1118 1 49 GLN HG2 1 54 ILE MD . . 4.780 2.664 1.920 3.912 . 0 0 "[ . 1 . 2]" 1
1119 1 49 GLN HG3 1 54 ILE MD . . 4.780 2.412 1.933 3.356 . 0 0 "[ . 1 . 2]" 1
1120 1 50 ASN H 1 51 PHE H . . 4.340 2.767 2.554 2.859 . 0 0 "[ . 1 . 2]" 1
1121 1 50 ASN HA 1 52 GLY H . . 5.430 4.769 3.351 4.957 . 0 0 "[ . 1 . 2]" 1
1122 1 50 ASN QB 1 51 PHE H . . 4.370 3.309 2.854 3.747 . 0 0 "[ . 1 . 2]" 1
1123 1 50 ASN QD 1 51 PHE H . . 5.340 4.063 2.191 4.911 . 0 0 "[ . 1 . 2]" 1
1124 1 51 PHE H 1 51 PHE QD . . 4.520 3.189 3.062 3.335 . 0 0 "[ . 1 . 2]" 1
1125 1 51 PHE H 1 54 ILE MD . . 5.500 4.915 4.696 5.227 . 0 0 "[ . 1 . 2]" 1
1126 1 51 PHE H 1 70 TYR QE . . 5.340 3.937 3.354 4.265 . 0 0 "[ . 1 . 2]" 1
1127 1 51 PHE H 1 70 TYR HH . . 5.130 3.527 3.126 3.863 . 0 0 "[ . 1 . 2]" 1
1128 1 51 PHE HA 1 51 PHE QD . . 3.870 2.155 1.999 2.258 . 0 0 "[ . 1 . 2]" 1
1129 1 51 PHE HA 1 51 PHE QE . . 5.210 4.310 4.241 4.375 . 0 0 "[ . 1 . 2]" 1
1130 1 51 PHE HA 1 70 TYR QE . . 5.500 4.832 4.312 5.183 . 0 0 "[ . 1 . 2]" 1
1131 1 51 PHE QB 1 52 GLY QA . . 5.180 3.572 3.528 4.015 . 0 0 "[ . 1 . 2]" 1
1132 1 51 PHE QB 1 70 TYR QE . . 4.830 2.275 2.084 2.649 . 0 0 "[ . 1 . 2]" 1
1133 1 51 PHE QB 1 70 TYR HH . . 4.730 2.202 1.984 2.417 . 0 0 "[ . 1 . 2]" 1
1134 1 51 PHE QB 1 75 GLN QE . . 5.180 4.939 4.586 5.185 0.005 15 0 "[ . 1 . 2]" 1
1135 1 51 PHE QB 1 78 VAL QG . . 3.990 3.437 3.008 3.973 . 0 0 "[ . 1 . 2]" 1
1136 1 51 PHE QB 1 79 CYS QB . . 4.470 3.001 2.613 3.471 . 0 0 "[ . 1 . 2]" 1
1137 1 51 PHE HB2 1 70 TYR QD . . 5.500 4.488 4.323 4.781 . 0 0 "[ . 1 . 2]" 1
1138 1 51 PHE HB2 1 70 TYR QE . . 5.500 2.323 2.128 2.713 . 0 0 "[ . 1 . 2]" 1
1139 1 51 PHE HB3 1 70 TYR QD . . 5.500 4.783 4.507 5.212 . 0 0 "[ . 1 . 2]" 1
1140 1 51 PHE HB3 1 70 TYR QE . . 5.500 3.261 2.969 3.710 . 0 0 "[ . 1 . 2]" 1
1141 1 51 PHE QD 1 68 ILE MD . . 5.040 4.176 3.719 4.264 . 0 0 "[ . 1 . 2]" 1
1142 1 51 PHE QD 1 70 TYR QE . . 4.810 3.607 3.500 3.791 . 0 0 "[ . 1 . 2]" 1
1143 1 51 PHE QD 1 70 TYR HH . . 4.190 2.116 1.995 2.398 . 0 0 "[ . 1 . 2]" 1
1144 1 51 PHE QD 1 78 VAL MG1 . . 5.030 2.637 2.397 2.985 . 0 0 "[ . 1 . 2]" 1
1145 1 51 PHE QD 1 78 VAL QG . . 3.590 2.626 2.392 2.964 . 0 0 "[ . 1 . 2]" 1
1146 1 51 PHE QD 1 78 VAL MG2 . . 5.030 4.908 4.650 5.037 0.007 16 0 "[ . 1 . 2]" 1
1147 1 51 PHE QD 1 79 CYS HA . . 4.280 3.730 3.466 3.930 . 0 0 "[ . 1 . 2]" 1
1148 1 51 PHE QD 1 79 CYS QB . . 3.680 2.654 2.456 2.938 . 0 0 "[ . 1 . 2]" 1
1149 1 51 PHE QD 1 79 CYS HG . . 5.340 4.390 3.986 4.857 . 0 0 "[ . 1 . 2]" 1
1150 1 51 PHE QD 1 82 ALA MB . . 3.990 3.899 3.630 4.007 0.017 5 0 "[ . 1 . 2]" 1
1151 1 51 PHE QE 1 68 ILE MD . . 4.230 4.224 4.131 4.247 0.017 11 0 "[ . 1 . 2]" 1
1152 1 51 PHE QE 1 70 TYR HH . . 5.500 4.341 4.188 4.655 . 0 0 "[ . 1 . 2]" 1
1153 1 51 PHE QE 1 78 VAL QG . . 5.440 3.375 3.028 3.706 . 0 0 "[ . 1 . 2]" 1
1154 1 51 PHE QE 1 79 CYS HA . . 5.500 3.047 2.462 3.429 . 0 0 "[ . 1 . 2]" 1
1155 1 51 PHE QE 1 79 CYS QB . . 5.340 2.896 2.377 3.553 . 0 0 "[ . 1 . 2]" 1
1156 1 51 PHE QE 1 79 CYS HG . . 4.910 4.075 3.570 4.649 . 0 0 "[ . 1 . 2]" 1
1157 1 51 PHE QE 1 82 ALA H . . 5.500 4.923 4.496 5.389 . 0 0 "[ . 1 . 2]" 1
1158 1 51 PHE QE 1 82 ALA MB . . 3.730 2.334 1.930 2.643 . 0 0 "[ . 1 . 2]" 1
1159 1 51 PHE QE 1 83 LEU MD1 . . 4.110 3.936 1.771 4.117 0.007 8 0 "[ . 1 . 2]" 1
1160 1 51 PHE QE 1 83 LEU QD . . 3.580 2.319 1.769 2.514 . 0 0 "[ . 1 . 2]" 1
1161 1 51 PHE QE 1 83 LEU MD2 . . 4.110 2.444 2.024 3.971 . 0 0 "[ . 1 . 2]" 1
1162 1 51 PHE QE 1 83 LEU HG . . 4.260 3.530 3.058 4.267 0.007 18 0 "[ . 1 . 2]" 1
1163 1 52 GLY H 1 53 PHE H . . 5.500 3.047 2.909 3.878 . 0 0 "[ . 1 . 2]" 1
1164 1 52 GLY H 1 70 TYR QE . . 4.540 2.283 2.001 3.601 . 0 0 "[ . 1 . 2]" 1
1165 1 52 GLY QA 1 70 TYR QD . . 4.130 3.029 2.963 3.121 . 0 0 "[ . 1 . 2]" 1
1166 1 52 GLY QA 1 70 TYR HH . . 5.340 5.137 4.616 5.351 0.011 7 0 "[ . 1 . 2]" 1
1167 1 52 GLY QA 1 75 GLN QB . . 4.400 3.930 3.435 4.311 . 0 0 "[ . 1 . 2]" 1
1168 1 52 GLY QA 1 75 GLN QE . . 4.530 2.355 1.872 3.070 . 0 0 "[ . 1 . 2]" 1
1169 1 52 GLY QA 1 75 GLN QG . . 4.700 2.365 1.954 3.183 . 0 0 "[ . 1 . 2]" 1
1170 1 52 GLY HA2 1 70 TYR QD . . 4.730 4.711 4.652 4.768 0.038 5 0 "[ . 1 . 2]" 1
1171 1 52 GLY HA2 1 70 TYR QE . . 5.500 4.452 4.102 4.649 . 0 0 "[ . 1 . 2]" 1
1172 1 52 GLY HA3 1 70 TYR QD . . 4.730 3.066 2.997 3.163 . 0 0 "[ . 1 . 2]" 1
1173 1 52 GLY HA3 1 70 TYR QE . . 5.500 3.304 2.887 3.529 . 0 0 "[ . 1 . 2]" 1
1174 1 53 PHE H 1 54 ILE H . . 5.500 4.292 4.251 4.344 . 0 0 "[ . 1 . 2]" 1
1175 1 53 PHE H 1 68 ILE MG . . 5.500 5.555 5.531 5.577 0.077 8 0 "[ . 1 . 2]" 1
1176 1 53 PHE H 1 70 TYR HA . . 5.500 4.211 3.978 4.514 . 0 0 "[ . 1 . 2]" 1
1177 1 53 PHE H 1 70 TYR QB . . 5.340 3.873 3.786 4.056 . 0 0 "[ . 1 . 2]" 1
1178 1 53 PHE H 1 70 TYR QE . . 5.500 2.624 2.195 2.986 . 0 0 "[ . 1 . 2]" 1
1179 1 53 PHE H 1 71 ASP H . . 5.500 4.225 3.923 4.557 . 0 0 "[ . 1 . 2]" 1
1180 1 53 PHE H 1 75 GLN QE . . 5.340 2.533 2.025 3.102 . 0 0 "[ . 1 . 2]" 1
1181 1 53 PHE QB 1 75 GLN QE . . 4.630 2.960 2.508 3.429 . 0 0 "[ . 1 . 2]" 1
1182 1 53 PHE HB2 1 54 ILE H . . 5.500 4.047 3.857 4.151 . 0 0 "[ . 1 . 2]" 1
1183 1 53 PHE HB3 1 54 ILE H . . 5.500 3.956 3.807 4.170 . 0 0 "[ . 1 . 2]" 1
1184 1 53 PHE QD 1 54 ILE H . . 5.480 2.601 1.898 3.281 . 0 0 "[ . 1 . 2]" 1
1185 1 53 PHE QD 1 55 LEU HA . . 5.500 4.484 3.642 4.957 . 0 0 "[ . 1 . 2]" 1
1186 1 53 PHE QD 1 55 LEU QD . . 3.890 2.711 2.012 3.448 . 0 0 "[ . 1 . 2]" 1
1187 1 53 PHE QD 1 55 LEU HG . . 5.230 3.089 1.983 5.165 . 0 0 "[ . 1 . 2]" 1
1188 1 53 PHE QD 1 71 ASP QB . . 4.340 3.120 1.981 4.308 . 0 0 "[ . 1 . 2]" 1
1189 1 53 PHE QE 1 54 ILE H . . 5.500 3.746 3.320 4.112 . 0 0 "[ . 1 . 2]" 1
1190 1 53 PHE QE 1 55 LEU HA . . 5.500 3.343 2.163 3.963 . 0 0 "[ . 1 . 2]" 1
1191 1 53 PHE QE 1 55 LEU QB . . 5.340 3.467 2.120 4.557 . 0 0 "[ . 1 . 2]" 1
1192 1 53 PHE QE 1 55 LEU MD1 . . 5.500 3.800 1.851 4.600 . 0 0 "[ . 1 . 2]" 1
1193 1 53 PHE QE 1 55 LEU QD . . 4.040 2.254 1.805 2.809 . 0 0 "[ . 1 . 2]" 1
1194 1 53 PHE QE 1 55 LEU MD2 . . 5.500 2.432 1.915 4.393 . 0 0 "[ . 1 . 2]" 1
1195 1 53 PHE QE 1 55 LEU HG . . 5.500 3.043 2.097 4.584 . 0 0 "[ . 1 . 2]" 1
1196 1 53 PHE HZ 1 55 LEU QB . . 5.340 4.602 2.183 5.344 0.004 10 0 "[ . 1 . 2]" 1
1197 1 53 PHE HZ 1 55 LEU QD . . 5.110 3.752 2.329 4.348 . 0 0 "[ . 1 . 2]" 1
1198 1 53 PHE HZ 1 55 LEU HG . . 5.500 4.749 3.993 5.506 0.006 20 0 "[ . 1 . 2]" 1
1199 1 54 ILE H 1 54 ILE HB . . 3.950 2.665 2.597 2.726 . 0 0 "[ . 1 . 2]" 1
1200 1 54 ILE H 1 54 ILE MD . . 4.990 4.111 3.965 4.246 . 0 0 "[ . 1 . 2]" 1
1201 1 54 ILE H 1 54 ILE HG12 . . 4.830 3.853 3.736 3.976 . 0 0 "[ . 1 . 2]" 1
1202 1 54 ILE H 1 54 ILE QG . . 4.000 2.751 2.621 2.872 . 0 0 "[ . 1 . 2]" 1
1203 1 54 ILE H 1 54 ILE HG13 . . 4.830 2.818 2.667 2.963 . 0 0 "[ . 1 . 2]" 1
1204 1 54 ILE H 1 54 ILE MG . . 4.410 3.859 3.827 3.891 . 0 0 "[ . 1 . 2]" 1
1205 1 54 ILE HA 1 56 ASP H . . 4.720 3.405 3.362 3.474 . 0 0 "[ . 1 . 2]" 1
1206 1 54 ILE HA 1 68 ILE MG . . 5.040 3.124 3.041 3.203 . 0 0 "[ . 1 . 2]" 1
1207 1 54 ILE HA 1 69 LYS H . . 5.500 4.434 4.121 4.941 . 0 0 "[ . 1 . 2]" 1
1208 1 54 ILE HA 1 70 TYR HA . . 4.530 3.270 3.100 3.556 . 0 0 "[ . 1 . 2]" 1
1209 1 54 ILE HA 1 70 TYR QD . . 5.320 4.430 4.328 4.541 . 0 0 "[ . 1 . 2]" 1
1210 1 54 ILE HA 1 71 ASP H . . 5.500 5.307 4.587 5.506 0.006 12 0 "[ . 1 . 2]" 1
1211 1 54 ILE MD 1 54 ILE MG . . 3.610 1.951 1.865 2.060 . 0 0 "[ . 1 . 2]" 1
1212 1 54 ILE MD 1 57 PHE QB . . 5.340 3.084 2.743 3.429 . 0 0 "[ . 1 . 2]" 1
1213 1 54 ILE MD 1 57 PHE HD1 . . 5.500 4.170 3.909 4.479 . 0 0 "[ . 1 . 2]" 1
1214 1 54 ILE MD 1 68 ILE MD . . 5.230 3.700 3.363 4.121 . 0 0 "[ . 1 . 2]" 1
1215 1 54 ILE MD 1 68 ILE QG . . 5.170 3.019 2.837 3.245 . 0 0 "[ . 1 . 2]" 1
1216 1 54 ILE MD 1 68 ILE MG . . 3.940 1.806 1.716 2.043 . 0 0 "[ . 1 . 2]" 1
1217 1 54 ILE MD 1 70 TYR QD . . 5.500 5.177 4.994 5.416 . 0 0 "[ . 1 . 2]" 1
1218 1 54 ILE MD 1 70 TYR QE . . 4.990 4.042 3.799 4.299 . 0 0 "[ . 1 . 2]" 1
1219 1 54 ILE MD 1 70 TYR HH . . 5.420 3.480 3.320 3.658 . 0 0 "[ . 1 . 2]" 1
1220 1 54 ILE QG 1 68 ILE MG . . 4.620 1.905 1.803 2.001 . 0 0 "[ . 1 . 2]" 1
1221 1 54 ILE QG 1 70 TYR QD . . 5.340 4.102 3.997 4.294 . 0 0 "[ . 1 . 2]" 1
1222 1 54 ILE QG 1 70 TYR HH . . 5.340 3.369 3.177 3.649 . 0 0 "[ . 1 . 2]" 1
1223 1 54 ILE HG12 1 55 LEU H . . 5.500 4.559 4.445 4.697 . 0 0 "[ . 1 . 2]" 1
1224 1 54 ILE HG12 1 70 TYR QE . . 4.810 3.669 3.379 3.869 . 0 0 "[ . 1 . 2]" 1
1225 1 54 ILE HG13 1 55 LEU H . . 5.500 5.172 5.095 5.254 . 0 0 "[ . 1 . 2]" 1
1226 1 54 ILE HG13 1 70 TYR QE . . 4.810 3.973 3.684 4.168 . 0 0 "[ . 1 . 2]" 1
1227 1 54 ILE MG 1 55 LEU H . . 4.490 2.939 2.808 3.053 . 0 0 "[ . 1 . 2]" 1
1228 1 54 ILE MG 1 55 LEU HA . . 5.500 4.021 3.768 4.189 . 0 0 "[ . 1 . 2]" 1
1229 1 54 ILE MG 1 56 ASP H . . 4.120 2.245 2.003 2.444 . 0 0 "[ . 1 . 2]" 1
1230 1 54 ILE MG 1 56 ASP HA . . 5.500 3.452 3.349 3.773 . 0 0 "[ . 1 . 2]" 1
1231 1 54 ILE MG 1 57 PHE H . . 5.390 3.314 3.228 3.651 . 0 0 "[ . 1 . 2]" 1
1232 1 54 ILE MG 1 57 PHE HA . . 5.500 3.330 3.203 3.524 . 0 0 "[ . 1 . 2]" 1
1233 1 54 ILE MG 1 57 PHE HB2 . . 4.970 2.136 1.988 2.307 . 0 0 "[ . 1 . 2]" 1
1234 1 54 ILE MG 1 57 PHE HB3 . . 4.970 3.324 3.236 3.462 . 0 0 "[ . 1 . 2]" 1
1235 1 54 ILE MG 1 57 PHE HD1 . . 4.830 3.719 3.486 3.884 . 0 0 "[ . 1 . 2]" 1
1236 1 54 ILE MG 1 57 PHE HD2 . . 5.500 4.755 4.674 4.844 . 0 0 "[ . 1 . 2]" 1
1237 1 54 ILE MG 1 68 ILE HA . . 5.500 3.408 3.172 3.684 . 0 0 "[ . 1 . 2]" 1
1238 1 54 ILE MG 1 68 ILE MD . . 5.340 4.707 4.502 4.931 . 0 0 "[ . 1 . 2]" 1
1239 1 54 ILE MG 1 68 ILE MG . . 3.600 1.761 1.681 1.840 . 0 0 "[ . 1 . 2]" 1
1240 1 54 ILE MG 1 69 LYS H . . 5.200 3.128 2.785 3.804 . 0 0 "[ . 1 . 2]" 1
1241 1 54 ILE MG 1 70 TYR HA . . 5.500 4.784 4.527 5.178 . 0 0 "[ . 1 . 2]" 1
1242 1 54 ILE MG 1 70 TYR QD . . 5.500 5.080 4.814 5.417 . 0 0 "[ . 1 . 2]" 1
1243 1 54 ILE MG 1 70 TYR QE . . 5.500 4.810 4.524 5.093 . 0 0 "[ . 1 . 2]" 1
1244 1 55 LEU H 1 55 LEU MD1 . . 5.230 2.571 1.848 3.987 . 0 0 "[ . 1 . 2]" 1
1245 1 55 LEU H 1 55 LEU MD2 . . 5.230 3.476 1.853 4.156 . 0 0 "[ . 1 . 2]" 1
1246 1 55 LEU H 1 55 LEU HG . . 3.960 2.554 1.828 3.819 . 0 0 "[ . 1 . 2]" 1
1247 1 55 LEU H 1 56 ASP H . . 4.060 2.270 2.065 2.334 . 0 0 "[ . 1 . 2]" 1
1248 1 55 LEU H 1 56 ASP HA . . 5.280 4.934 4.783 4.992 . 0 0 "[ . 1 . 2]" 1
1249 1 55 LEU H 1 68 ILE MG . . 4.800 4.241 4.087 4.407 . 0 0 "[ . 1 . 2]" 1
1250 1 55 LEU H 1 69 LYS H . . 5.120 4.370 4.179 4.684 . 0 0 "[ . 1 . 2]" 1
1251 1 55 LEU H 1 69 LYS HB2 . . 5.500 4.383 3.689 5.407 . 0 0 "[ . 1 . 2]" 1
1252 1 55 LEU H 1 69 LYS HB3 . . 5.500 3.821 3.299 4.728 . 0 0 "[ . 1 . 2]" 1
1253 1 55 LEU H 1 70 TYR HA . . 4.760 3.492 3.342 3.788 . 0 0 "[ . 1 . 2]" 1
1254 1 55 LEU H 1 70 TYR QD . . 5.500 5.438 5.318 5.523 0.023 5 0 "[ . 1 . 2]" 1
1255 1 55 LEU HA 1 55 LEU QD . . 3.510 3.017 2.134 3.461 . 0 0 "[ . 1 . 2]" 1
1256 1 55 LEU QD 1 69 LYS QB . . 5.280 2.675 1.831 4.049 . 0 0 "[ . 1 . 2]" 1
1257 1 55 LEU QD 1 69 LYS QE . . 4.320 3.617 2.368 4.288 . 0 0 "[ . 1 . 2]" 1
1258 1 55 LEU QD 1 69 LYS QG . . 5.120 3.749 2.113 4.916 . 0 0 "[ . 1 . 2]" 1
1259 1 55 LEU QD 1 70 TYR HA . . 5.440 2.630 2.158 3.525 . 0 0 "[ . 1 . 2]" 1
1260 1 55 LEU QD 1 71 ASP HA . . 3.690 2.587 2.266 3.378 . 0 0 "[ . 1 . 2]" 1
1261 1 55 LEU QD 1 71 ASP QB . . 4.570 3.191 2.824 3.712 . 0 0 "[ . 1 . 2]" 1
1262 1 55 LEU MD1 1 56 ASP H . . 5.500 3.723 2.294 4.988 . 0 0 "[ . 1 . 2]" 1
1263 1 55 LEU MD1 1 71 ASP H . . 5.500 3.805 3.013 5.524 0.024 16 0 "[ . 1 . 2]" 1
1264 1 55 LEU MD1 1 71 ASP HA . . 4.970 3.109 2.291 4.890 . 0 0 "[ . 1 . 2]" 1
1265 1 55 LEU MD2 1 56 ASP H . . 5.500 4.714 2.002 5.172 . 0 0 "[ . 1 . 2]" 1
1266 1 55 LEU MD2 1 71 ASP H . . 5.500 4.383 2.765 5.471 . 0 0 "[ . 1 . 2]" 1
1267 1 55 LEU MD2 1 71 ASP HA . . 4.970 3.443 2.395 4.909 . 0 0 "[ . 1 . 2]" 1
1268 1 55 LEU HG 1 70 TYR HA . . 5.500 4.167 3.339 4.921 . 0 0 "[ . 1 . 2]" 1
1269 1 55 LEU HG 1 71 ASP H . . 5.500 4.897 4.548 5.469 . 0 0 "[ . 1 . 2]" 1
1270 1 55 LEU HG 1 71 ASP HA . . 4.960 4.692 3.686 4.978 0.018 20 0 "[ . 1 . 2]" 1
1271 1 56 ASP H 1 57 PHE H . . 5.500 3.933 3.917 4.005 . 0 0 "[ . 1 . 2]" 1
1272 1 56 ASP H 1 68 ILE HA . . 5.460 4.885 4.665 5.013 . 0 0 "[ . 1 . 2]" 1
1273 1 56 ASP H 1 68 ILE MG . . 5.500 3.878 3.697 4.059 . 0 0 "[ . 1 . 2]" 1
1274 1 56 ASP H 1 69 LYS H . . 4.780 3.367 3.236 3.705 . 0 0 "[ . 1 . 2]" 1
1275 1 56 ASP H 1 69 LYS QB . . 5.030 3.004 2.641 3.490 . 0 0 "[ . 1 . 2]" 1
1276 1 56 ASP HA 1 57 PHE H . . 3.560 2.140 2.138 2.141 . 0 0 "[ . 1 . 2]" 1
1277 1 56 ASP QB 1 69 LYS H . . 4.710 3.988 3.671 4.161 . 0 0 "[ . 1 . 2]" 1
1278 1 56 ASP QB 1 69 LYS QB . . 3.670 2.784 2.504 3.125 . 0 0 "[ . 1 . 2]" 1
1279 1 56 ASP QB 1 69 LYS QG . . 4.760 3.870 2.609 4.482 . 0 0 "[ . 1 . 2]" 1
1280 1 56 ASP HB2 1 57 PHE H . . 5.270 4.516 4.449 4.532 . 0 0 "[ . 1 . 2]" 1
1281 1 56 ASP HB2 1 69 LYS H . . 5.500 4.764 4.193 5.170 . 0 0 "[ . 1 . 2]" 1
1282 1 56 ASP HB2 1 69 LYS HB2 . . 4.920 3.457 3.069 4.363 . 0 0 "[ . 1 . 2]" 1
1283 1 56 ASP HB2 1 69 LYS HB3 . . 4.920 3.859 2.762 4.824 . 0 0 "[ . 1 . 2]" 1
1284 1 56 ASP HB3 1 57 PHE H . . 5.270 3.735 3.510 4.072 . 0 0 "[ . 1 . 2]" 1
1285 1 56 ASP HB3 1 69 LYS H . . 5.500 4.312 3.756 4.552 . 0 0 "[ . 1 . 2]" 1
1286 1 56 ASP HB3 1 69 LYS HB2 . . 4.920 3.370 2.577 4.215 . 0 0 "[ . 1 . 2]" 1
1287 1 56 ASP HB3 1 69 LYS HB3 . . 4.920 4.344 3.237 4.928 0.008 15 0 "[ . 1 . 2]" 1
1288 1 57 PHE H 1 57 PHE QB . . 3.660 2.431 2.409 2.499 . 0 0 "[ . 1 . 2]" 1
1289 1 57 PHE H 1 57 PHE HD1 . . 5.500 4.871 4.808 4.914 . 0 0 "[ . 1 . 2]" 1
1290 1 57 PHE H 1 58 LYS H . . 5.500 4.465 4.342 4.499 . 0 0 "[ . 1 . 2]" 1
1291 1 57 PHE HA 1 57 PHE HD1 . . 4.340 2.256 2.155 2.328 . 0 0 "[ . 1 . 2]" 1
1292 1 57 PHE HA 1 68 ILE MD . . 5.360 5.286 5.131 5.371 0.011 18 0 "[ . 1 . 2]" 1
1293 1 57 PHE HA 1 68 ILE MG . . 5.500 3.183 3.059 3.310 . 0 0 "[ . 1 . 2]" 1
1294 1 57 PHE HA 1 69 LYS H . . 5.500 3.284 3.097 3.764 . 0 0 "[ . 1 . 2]" 1
1295 1 57 PHE QB 1 68 ILE MD . . 5.340 5.062 4.900 5.194 . 0 0 "[ . 1 . 2]" 1
1296 1 57 PHE QB 1 68 ILE MG . . 5.340 2.570 2.447 2.674 . 0 0 "[ . 1 . 2]" 1
1297 1 57 PHE HB2 1 58 LYS H . . 5.330 4.049 3.953 4.285 . 0 0 "[ . 1 . 2]" 1
1298 1 57 PHE HB3 1 58 LYS H . . 5.330 4.042 3.948 4.228 . 0 0 "[ . 1 . 2]" 1
1299 1 57 PHE HD1 1 58 LYS H . . 5.140 2.545 2.429 2.868 . 0 0 "[ . 1 . 2]" 1
1300 1 57 PHE HD1 1 59 HIS H . . 5.500 5.567 5.541 5.615 0.115 15 0 "[ . 1 . 2]" 1
1301 1 57 PHE HD1 1 59 HIS QB . . 5.340 5.240 5.134 5.340 . 0 0 "[ . 1 . 2]" 1
1302 1 57 PHE HD1 1 66 CYS QB . . 5.340 4.040 3.650 4.219 . 0 0 "[ . 1 . 2]" 1
1303 1 57 PHE HD1 1 66 CYS HG . . 5.500 4.724 4.396 5.521 0.021 15 0 "[ . 1 . 2]" 1
1304 1 57 PHE HD1 1 68 ILE H . . 5.500 3.858 3.697 4.070 . 0 0 "[ . 1 . 2]" 1
1305 1 57 PHE HD1 1 68 ILE HA . . 4.990 2.241 2.103 2.529 . 0 0 "[ . 1 . 2]" 1
1306 1 57 PHE HD1 1 68 ILE HB . . 5.500 3.979 3.877 4.073 . 0 0 "[ . 1 . 2]" 1
1307 1 57 PHE HD1 1 68 ILE MD . . 4.550 3.638 3.526 3.725 . 0 0 "[ . 1 . 2]" 1
1308 1 57 PHE HD1 1 68 ILE HG12 . . 4.750 2.417 2.090 2.713 . 0 0 "[ . 1 . 2]" 1
1309 1 57 PHE HD1 1 68 ILE QG . . 4.180 1.920 1.839 1.980 . 0 0 "[ . 1 . 2]" 1
1310 1 57 PHE HD1 1 68 ILE HG13 . . 4.750 2.029 1.976 2.154 . 0 0 "[ . 1 . 2]" 1
1311 1 57 PHE HD1 1 68 ILE MG . . 4.380 2.543 2.405 2.654 . 0 0 "[ . 1 . 2]" 1
1312 1 57 PHE HD1 1 69 LYS H . . 5.500 4.215 4.063 4.506 . 0 0 "[ . 1 . 2]" 1
1313 1 57 PHE HD2 1 59 HIS H . . 5.500 4.294 4.171 4.531 . 0 0 "[ . 1 . 2]" 1
1314 1 57 PHE HD2 1 59 HIS HA . . 5.500 5.524 5.501 5.604 0.104 15 0 "[ . 1 . 2]" 1
1315 1 57 PHE HD2 1 59 HIS QB . . 4.940 3.591 3.517 3.654 . 0 0 "[ . 1 . 2]" 1
1316 1 57 PHE HD2 1 68 ILE QG . . 5.280 4.997 4.848 5.126 . 0 0 "[ . 1 . 2]" 1
1317 1 57 PHE HD2 1 68 ILE MG . . 4.950 5.017 4.984 5.048 0.098 20 0 "[ . 1 . 2]" 1
1318 1 57 PHE HE1 1 66 CYS HG . . 4.110 2.369 1.997 3.705 . 0 0 "[ . 1 . 2]" 1
1319 1 57 PHE HE2 1 59 HIS H . . 5.500 4.307 4.086 4.823 . 0 0 "[ . 1 . 2]" 1
1320 1 57 PHE HE2 1 59 HIS HB2 . . 5.210 2.151 2.022 2.579 . 0 0 "[ . 1 . 2]" 1
1321 1 57 PHE HE2 1 59 HIS QB . . 4.470 2.121 1.984 2.530 . 0 0 "[ . 1 . 2]" 1
1322 1 57 PHE HE2 1 59 HIS HB3 . . 5.210 3.251 2.773 3.663 . 0 0 "[ . 1 . 2]" 1
1323 1 57 PHE HE2 1 66 CYS HB2 . . 5.500 4.147 3.972 5.527 0.027 15 0 "[ . 1 . 2]" 1
1324 1 57 PHE HE2 1 66 CYS HB3 . . 5.500 4.739 4.462 5.045 . 0 0 "[ . 1 . 2]" 1
1325 1 58 LYS H 1 58 LYS HG2 . . 5.240 4.378 3.444 4.978 . 0 0 "[ . 1 . 2]" 1
1326 1 58 LYS H 1 58 LYS HG3 . . 5.240 4.296 2.737 4.755 . 0 0 "[ . 1 . 2]" 1
1327 1 58 LYS H 1 59 HIS H . . 5.500 3.962 3.901 4.056 . 0 0 "[ . 1 . 2]" 1
1328 1 58 LYS H 1 66 CYS HA . . 5.500 4.796 4.715 4.879 . 0 0 "[ . 1 . 2]" 1
1329 1 58 LYS H 1 67 PHE H . . 4.800 2.920 2.586 3.169 . 0 0 "[ . 1 . 2]" 1
1330 1 58 LYS H 1 68 ILE HA . . 5.160 3.396 3.180 3.515 . 0 0 "[ . 1 . 2]" 1
1331 1 58 LYS H 1 68 ILE MD . . 5.500 5.322 5.196 5.435 . 0 0 "[ . 1 . 2]" 1
1332 1 58 LYS H 1 68 ILE MG . . 5.500 4.499 4.379 4.593 . 0 0 "[ . 1 . 2]" 1
1333 1 58 LYS HA 1 59 HIS H . . 3.540 2.185 2.179 2.194 . 0 0 "[ . 1 . 2]" 1
1334 1 58 LYS HA 1 59 HIS QB . . 5.340 4.178 4.168 4.191 . 0 0 "[ . 1 . 2]" 1
1335 1 58 LYS HA 1 60 TYR QE . . 5.500 4.293 3.555 5.240 . 0 0 "[ . 1 . 2]" 1
1336 1 58 LYS QB 1 59 HIS H . . 4.280 3.749 3.604 3.895 . 0 0 "[ . 1 . 2]" 1
1337 1 58 LYS QB 1 67 PHE H . . 4.720 2.927 2.643 3.036 . 0 0 "[ . 1 . 2]" 1
1338 1 58 LYS QB 1 67 PHE QB . . 4.450 2.519 1.926 2.738 . 0 0 "[ . 1 . 2]" 1
1339 1 58 LYS QB 1 67 PHE QD . . 4.310 2.838 2.382 3.310 . 0 0 "[ . 1 . 2]" 1
1340 1 58 LYS HB2 1 59 HIS H . . 4.900 4.586 4.332 4.648 . 0 0 "[ . 1 . 2]" 1
1341 1 58 LYS HB2 1 60 TYR QD . . 5.500 4.739 3.535 5.368 . 0 0 "[ . 1 . 2]" 1
1342 1 58 LYS HB2 1 60 TYR QE . . 4.590 3.635 2.912 4.497 . 0 0 "[ . 1 . 2]" 1
1343 1 58 LYS HB2 1 66 CYS HA . . 5.500 5.068 4.268 5.516 0.016 20 0 "[ . 1 . 2]" 1
1344 1 58 LYS HB2 1 67 PHE H . . 5.360 3.397 2.674 3.812 . 0 0 "[ . 1 . 2]" 1
1345 1 58 LYS HB3 1 59 HIS H . . 4.900 3.979 3.849 4.191 . 0 0 "[ . 1 . 2]" 1
1346 1 58 LYS HB3 1 60 TYR QD . . 5.500 3.337 2.805 4.456 . 0 0 "[ . 1 . 2]" 1
1347 1 58 LYS HB3 1 60 TYR QE . . 4.590 2.307 2.001 2.975 . 0 0 "[ . 1 . 2]" 1
1348 1 58 LYS HB3 1 66 CYS HA . . 5.500 4.348 3.970 5.221 . 0 0 "[ . 1 . 2]" 1
1349 1 58 LYS HB3 1 67 PHE H . . 5.360 3.378 2.853 4.474 . 0 0 "[ . 1 . 2]" 1
1350 1 58 LYS QG 1 60 TYR QE . . 4.640 2.955 1.931 4.650 0.010 20 0 "[ . 1 . 2]" 1
1351 1 58 LYS HG2 1 59 HIS H . . 5.500 4.884 3.721 5.386 . 0 0 "[ . 1 . 2]" 1
1352 1 58 LYS HG2 1 60 TYR QE . . 5.310 3.428 2.049 5.319 0.009 20 0 "[ . 1 . 2]" 1
1353 1 58 LYS HG2 1 67 PHE H . . 5.500 5.446 5.267 5.524 0.024 18 0 "[ . 1 . 2]" 1
1354 1 58 LYS HG3 1 59 HIS H . . 5.500 4.608 3.673 5.576 0.076 16 0 "[ . 1 . 2]" 1
1355 1 58 LYS HG3 1 60 TYR QE . . 5.310 3.462 2.214 5.132 . 0 0 "[ . 1 . 2]" 1
1356 1 58 LYS HG3 1 67 PHE H . . 5.500 5.328 4.447 5.523 0.023 11 0 "[ . 1 . 2]" 1
1357 1 59 HIS H 1 59 HIS HD2 . . 5.500 5.308 5.189 5.368 . 0 0 "[ . 1 . 2]" 1
1358 1 59 HIS H 1 66 CYS HA . . 5.500 4.835 4.774 4.947 . 0 0 "[ . 1 . 2]" 1
1359 1 59 HIS HA 1 59 HIS HD2 . . 4.300 2.920 2.656 3.042 . 0 0 "[ . 1 . 2]" 1
1360 1 59 HIS HA 1 60 TYR QD . . 5.400 3.703 3.167 4.571 . 0 0 "[ . 1 . 2]" 1
1361 1 59 HIS HA 1 66 CYS HB2 . . 5.500 2.429 2.181 4.165 . 0 0 "[ . 1 . 2]" 1
1362 1 59 HIS HA 1 66 CYS HB3 . . 5.500 2.488 2.180 2.959 . 0 0 "[ . 1 . 2]" 1
1363 1 59 HIS HA 1 66 CYS HG . . 5.500 4.634 2.693 4.974 . 0 0 "[ . 1 . 2]" 1
1364 1 59 HIS HA 1 67 PHE H . . 5.500 3.618 3.524 3.803 . 0 0 "[ . 1 . 2]" 1
1365 1 59 HIS HB2 1 60 TYR H . . 5.500 4.118 3.955 4.279 . 0 0 "[ . 1 . 2]" 1
1366 1 59 HIS HB2 1 66 CYS HA . . 5.500 4.632 4.561 4.707 . 0 0 "[ . 1 . 2]" 1
1367 1 59 HIS HB3 1 60 TYR H . . 5.500 4.346 4.140 4.473 . 0 0 "[ . 1 . 2]" 1
1368 1 59 HIS HB3 1 66 CYS HA . . 5.500 5.502 5.448 5.541 0.041 20 0 "[ . 1 . 2]" 1
1369 1 59 HIS HD2 1 60 TYR H . . 4.020 3.011 2.499 3.450 . 0 0 "[ . 1 . 2]" 1
1370 1 59 HIS HD2 1 60 TYR HA . . 5.500 5.055 4.722 5.251 . 0 0 "[ . 1 . 2]" 1
1371 1 59 HIS HD2 1 61 PRO HA . . 5.350 4.366 4.016 4.610 . 0 0 "[ . 1 . 2]" 1
1372 1 59 HIS HD2 1 61 PRO QB . . 5.340 4.587 4.373 4.884 . 0 0 "[ . 1 . 2]" 1
1373 1 59 HIS HD2 1 61 PRO HD2 . . 5.500 5.480 5.247 5.527 0.027 9 0 "[ . 1 . 2]" 1
1374 1 59 HIS HD2 1 61 PRO HD3 . . 5.500 4.007 3.825 4.220 . 0 0 "[ . 1 . 2]" 1
1375 1 59 HIS HD2 1 65 CYS H . . 5.500 4.686 4.388 5.041 . 0 0 "[ . 1 . 2]" 1
1376 1 59 HIS HD2 1 65 CYS HA . . 5.500 5.262 4.972 5.528 0.028 15 0 "[ . 1 . 2]" 1
1377 1 59 HIS HD2 1 66 CYS HA . . 5.020 4.290 3.862 4.557 . 0 0 "[ . 1 . 2]" 1
1378 1 59 HIS HD2 1 66 CYS HB2 . . 4.980 3.767 3.292 4.949 . 0 0 "[ . 1 . 2]" 1
1379 1 59 HIS HD2 1 66 CYS QB . . 4.290 2.474 2.022 4.252 . 0 0 "[ . 1 . 2]" 1
1380 1 59 HIS HD2 1 66 CYS HB3 . . 4.980 2.522 2.041 4.632 . 0 0 "[ . 1 . 2]" 1
1381 1 59 HIS HD2 1 66 CYS HG . . 5.040 4.592 2.590 4.970 . 0 0 "[ . 1 . 2]" 1
1382 1 59 HIS HE1 1 61 PRO HA . . 5.460 4.034 3.758 4.976 . 0 0 "[ . 1 . 2]" 1
1383 1 59 HIS HE1 1 61 PRO QB . . 5.340 2.143 1.982 3.067 . 0 0 "[ . 1 . 2]" 1
1384 1 59 HIS HE1 1 61 PRO QD . . 5.350 2.940 2.645 3.265 . 0 0 "[ . 1 . 2]" 1
1385 1 59 HIS HE1 1 61 PRO QG . . 4.110 2.611 2.308 3.224 . 0 0 "[ . 1 . 2]" 1
1386 1 60 TYR H 1 60 TYR QD . . 4.790 2.960 2.285 3.491 . 0 0 "[ . 1 . 2]" 1
1387 1 60 TYR H 1 61 PRO HD2 . . 5.500 4.345 4.224 4.519 . 0 0 "[ . 1 . 2]" 1
1388 1 60 TYR H 1 61 PRO HD3 . . 5.500 3.750 3.549 4.024 . 0 0 "[ . 1 . 2]" 1
1389 1 60 TYR H 1 65 CYS H . . 5.500 3.559 3.405 3.909 . 0 0 "[ . 1 . 2]" 1
1390 1 60 TYR H 1 66 CYS HA . . 4.830 2.767 2.472 3.075 . 0 0 "[ . 1 . 2]" 1
1391 1 60 TYR H 1 66 CYS HB2 . . 5.500 3.955 3.749 5.052 . 0 0 "[ . 1 . 2]" 1
1392 1 60 TYR H 1 66 CYS HB3 . . 5.500 3.209 2.884 4.428 . 0 0 "[ . 1 . 2]" 1
1393 1 60 TYR HA 1 60 TYR QD . . 4.530 2.914 2.184 3.581 . 0 0 "[ . 1 . 2]" 1
1394 1 60 TYR HA 1 60 TYR QE . . 5.500 4.615 4.446 5.576 0.076 20 0 "[ . 1 . 2]" 1
1395 1 60 TYR HA 1 61 PRO QG . . 5.030 3.814 3.768 3.839 . 0 0 "[ . 1 . 2]" 1
1396 1 60 TYR HA 1 63 LYS QG . . 5.340 5.026 4.600 5.378 0.038 9 0 "[ . 1 . 2]" 1
1397 1 60 TYR QB 1 63 LYS H . . 4.620 2.824 2.503 3.135 . 0 0 "[ . 1 . 2]" 1
1398 1 60 TYR QB 1 63 LYS QB . . 4.060 2.473 1.766 3.763 . 0 0 "[ . 1 . 2]" 1
1399 1 60 TYR QB 1 63 LYS QG . . 3.580 2.877 2.412 3.297 . 0 0 "[ . 1 . 2]" 1
1400 1 60 TYR QB 1 65 CYS H . . 5.340 2.952 2.604 4.285 . 0 0 "[ . 1 . 2]" 1
1401 1 60 TYR HB2 1 62 GLU H . . 5.500 4.831 3.312 5.212 . 0 0 "[ . 1 . 2]" 1
1402 1 60 TYR HB3 1 62 GLU H . . 5.500 3.693 3.358 4.537 . 0 0 "[ . 1 . 2]" 1
1403 1 60 TYR QD 1 61 PRO HD2 . . 5.500 4.224 3.624 5.119 . 0 0 "[ . 1 . 2]" 1
1404 1 60 TYR QD 1 61 PRO HD3 . . 5.500 4.995 4.494 5.263 . 0 0 "[ . 1 . 2]" 1
1405 1 60 TYR QD 1 63 LYS HB2 . . 5.500 3.954 1.996 4.258 . 0 0 "[ . 1 . 2]" 1
1406 1 60 TYR QD 1 63 LYS HB3 . . 5.500 5.202 3.573 5.500 . 0 0 "[ . 1 . 2]" 1
1407 1 60 TYR QD 1 63 LYS QD . . 5.130 3.937 3.342 4.423 . 0 0 "[ . 1 . 2]" 1
1408 1 60 TYR QD 1 66 CYS HA . . 5.080 3.161 2.754 3.674 . 0 0 "[ . 1 . 2]" 1
1409 1 60 TYR QD 1 67 PHE H . . 5.500 4.123 3.801 4.797 . 0 0 "[ . 1 . 2]" 1
1410 1 60 TYR QD 1 67 PHE QE . . 4.540 3.432 2.132 4.529 . 0 0 "[ . 1 . 2]" 1
1411 1 60 TYR QE 1 63 LYS QD . . 5.340 4.916 3.592 5.284 . 0 0 "[ . 1 . 2]" 1
1412 1 60 TYR QE 1 67 PHE H . . 4.930 4.597 2.780 4.929 . 0 0 "[ . 1 . 2]" 1
1413 1 60 TYR QE 1 67 PHE QB . . 5.280 4.322 2.912 4.885 . 0 0 "[ . 1 . 2]" 1
1414 1 60 TYR QE 1 67 PHE QD . . 4.330 3.211 1.998 4.115 . 0 0 "[ . 1 . 2]" 1
1415 1 60 TYR QE 1 67 PHE QE . . 4.850 3.980 2.792 4.848 . 0 0 "[ . 1 . 2]" 1
1416 1 61 PRO HA 1 63 LYS H . . 5.500 3.906 3.681 4.363 . 0 0 "[ . 1 . 2]" 1
1417 1 61 PRO HA 1 64 GLY H . . 5.470 3.164 2.898 3.460 . 0 0 "[ . 1 . 2]" 1
1418 1 61 PRO QD 1 62 GLU H . . 4.790 2.639 2.604 2.675 . 0 0 "[ . 1 . 2]" 1
1419 1 61 PRO HD2 1 62 GLU H . . 5.500 2.687 2.649 2.725 . 0 0 "[ . 1 . 2]" 1
1420 1 61 PRO HD3 1 62 GLU H . . 5.500 3.862 3.839 3.885 . 0 0 "[ . 1 . 2]" 1
1421 1 61 PRO QG 1 62 GLU H . . 4.040 2.582 2.176 2.745 . 0 0 "[ . 1 . 2]" 1
1422 1 62 GLU H 1 62 GLU HG2 . . 5.190 3.561 1.908 4.674 . 0 0 "[ . 1 . 2]" 1
1423 1 62 GLU H 1 62 GLU HG3 . . 5.190 3.838 2.082 4.548 . 0 0 "[ . 1 . 2]" 1
1424 1 62 GLU H 1 63 LYS H . . 4.520 2.488 2.328 2.646 . 0 0 "[ . 1 . 2]" 1
1425 1 62 GLU H 1 64 GLY H . . 5.500 3.752 3.513 3.914 . 0 0 "[ . 1 . 2]" 1
1426 1 62 GLU QB 1 63 LYS QE . . 5.180 4.628 4.031 5.105 . 0 0 "[ . 1 . 2]" 1
1427 1 62 GLU QG 1 63 LYS QG . . 4.730 3.510 2.049 4.714 . 0 0 "[ . 1 . 2]" 1
1428 1 63 LYS H 1 63 LYS QG . . 4.240 2.894 2.499 3.867 . 0 0 "[ . 1 . 2]" 1
1429 1 63 LYS H 1 65 CYS H . . 5.500 3.768 3.583 3.895 . 0 0 "[ . 1 . 2]" 1
1430 1 63 LYS QB 1 65 CYS QB . . 4.360 3.589 3.086 4.043 . 0 0 "[ . 1 . 2]" 1
1431 1 63 LYS QD 1 101 ARG QD . . 4.420 4.010 3.323 4.423 0.003 3 0 "[ . 1 . 2]" 1
1432 1 64 GLY H 1 65 CYS H . . 4.400 2.401 2.274 2.605 . 0 0 "[ . 1 . 2]" 1
1433 1 65 CYS H 1 66 CYS H . . 5.500 4.328 4.226 4.397 . 0 0 "[ . 1 . 2]" 1
1434 1 65 CYS HA 1 66 CYS HA . . 5.500 4.446 4.408 4.485 . 0 0 "[ . 1 . 2]" 1
1435 1 65 CYS QB 1 66 CYS H . . 4.010 2.764 2.526 3.503 . 0 0 "[ . 1 . 2]" 1
1436 1 65 CYS HB2 1 66 CYS H . . 4.760 3.236 2.563 4.032 . 0 0 "[ . 1 . 2]" 1
1437 1 65 CYS HB3 1 66 CYS H . . 4.760 3.526 2.665 4.213 . 0 0 "[ . 1 . 2]" 1
1438 1 66 CYS H 1 66 CYS HG . . 5.500 4.470 4.136 4.801 . 0 0 "[ . 1 . 2]" 1
1439 1 66 CYS H 1 67 PHE H . . 5.500 4.399 4.315 4.470 . 0 0 "[ . 1 . 2]" 1
1440 1 66 CYS HA 1 67 PHE QD . . 4.620 3.195 2.460 4.350 . 0 0 "[ . 1 . 2]" 1
1441 1 66 CYS HA 1 67 PHE QE . . 5.500 4.237 3.596 5.326 . 0 0 "[ . 1 . 2]" 1
1442 1 66 CYS HB2 1 67 PHE H . . 4.610 2.812 2.253 3.757 . 0 0 "[ . 1 . 2]" 1
1443 1 66 CYS HB2 1 68 ILE MD . . 5.500 4.349 3.286 4.591 . 0 0 "[ . 1 . 2]" 1
1444 1 66 CYS HB3 1 67 PHE H . . 4.610 3.945 2.687 4.209 . 0 0 "[ . 1 . 2]" 1
1445 1 66 CYS HB3 1 68 ILE MD . . 5.500 5.169 3.698 5.469 . 0 0 "[ . 1 . 2]" 1
1446 1 66 CYS HG 1 67 PHE H . . 5.500 4.811 4.436 5.151 . 0 0 "[ . 1 . 2]" 1
1447 1 66 CYS HG 1 68 ILE MD . . 5.110 3.058 2.541 5.156 0.046 15 0 "[ . 1 . 2]" 1
1448 1 67 PHE H 1 67 PHE QD . . 4.620 2.700 2.222 3.851 . 0 0 "[ . 1 . 2]" 1
1449 1 67 PHE H 1 67 PHE QE . . 5.500 4.706 4.386 5.525 0.025 20 0 "[ . 1 . 2]" 1
1450 1 67 PHE H 1 68 ILE H . . 5.500 4.266 3.978 4.433 . 0 0 "[ . 1 . 2]" 1
1451 1 67 PHE HA 1 67 PHE QE . . 5.500 4.708 4.281 4.821 . 0 0 "[ . 1 . 2]" 1
1452 1 67 PHE HA 1 68 ILE HB . . 5.500 4.907 4.854 5.014 . 0 0 "[ . 1 . 2]" 1
1453 1 67 PHE HA 1 68 ILE MD . . 5.500 3.622 3.277 3.932 . 0 0 "[ . 1 . 2]" 1
1454 1 67 PHE HA 1 68 ILE QG . . 5.340 3.442 3.327 3.612 . 0 0 "[ . 1 . 2]" 1
1455 1 67 PHE HA 1 68 ILE MG . . 5.500 5.391 5.329 5.447 . 0 0 "[ . 1 . 2]" 1
1456 1 67 PHE HB2 1 68 ILE H . . 5.400 4.179 3.922 4.477 . 0 0 "[ . 1 . 2]" 1
1457 1 67 PHE HB3 1 68 ILE H . . 5.400 3.354 3.030 3.778 . 0 0 "[ . 1 . 2]" 1
1458 1 67 PHE QD 1 68 ILE H . . 5.500 4.390 3.785 4.713 . 0 0 "[ . 1 . 2]" 1
1459 1 67 PHE QD 1 98 GLY H . . 5.500 4.380 3.803 4.832 . 0 0 "[ . 1 . 2]" 1
1460 1 67 PHE QD 1 98 GLY HA2 . . 5.500 3.588 2.095 5.274 . 0 0 "[ . 1 . 2]" 1
1461 1 67 PHE QD 1 98 GLY QA . . 4.770 2.739 1.997 3.693 . 0 0 "[ . 1 . 2]" 1
1462 1 67 PHE QD 1 98 GLY HA3 . . 5.500 3.116 2.025 4.453 . 0 0 "[ . 1 . 2]" 1
1463 1 67 PHE QE 1 98 GLY H . . 5.500 4.885 4.160 5.513 0.013 12 0 "[ . 1 . 2]" 1
1464 1 67 PHE QE 1 98 GLY HA2 . . 5.430 2.956 2.007 4.033 . 0 0 "[ . 1 . 2]" 1
1465 1 67 PHE QE 1 98 GLY HA3 . . 5.430 3.097 1.994 4.232 . 0 0 "[ . 1 . 2]" 1
1466 1 67 PHE QE 1 100 GLU H . . 5.500 5.253 4.364 5.516 0.016 20 0 "[ . 1 . 2]" 1
1467 1 68 ILE H 1 68 ILE HB . . 3.930 2.860 2.780 2.962 . 0 0 "[ . 1 . 2]" 1
1468 1 68 ILE H 1 68 ILE MD . . 4.980 2.583 2.351 2.990 . 0 0 "[ . 1 . 2]" 1
1469 1 68 ILE H 1 68 ILE HG12 . . 5.100 3.974 3.805 4.136 . 0 0 "[ . 1 . 2]" 1
1470 1 68 ILE H 1 68 ILE HG13 . . 5.100 2.527 2.317 2.709 . 0 0 "[ . 1 . 2]" 1
1471 1 68 ILE H 1 69 LYS H . . 5.440 4.364 4.254 4.506 . 0 0 "[ . 1 . 2]" 1
1472 1 68 ILE HB 1 69 LYS H . . 4.450 3.969 3.755 4.140 . 0 0 "[ . 1 . 2]" 1
1473 1 68 ILE HB 1 70 TYR QD . . 4.870 3.609 3.366 4.033 . 0 0 "[ . 1 . 2]" 1
1474 1 68 ILE HB 1 70 TYR QE . . 3.980 2.151 1.996 2.754 . 0 0 "[ . 1 . 2]" 1
1475 1 68 ILE HB 1 70 TYR HH . . 5.490 4.585 4.221 5.216 . 0 0 "[ . 1 . 2]" 1
1476 1 68 ILE MD 1 69 LYS H . . 5.500 5.231 5.121 5.351 . 0 0 "[ . 1 . 2]" 1
1477 1 68 ILE MD 1 70 TYR QD . . 5.500 4.752 4.545 4.933 . 0 0 "[ . 1 . 2]" 1
1478 1 68 ILE MD 1 70 TYR QE . . 4.850 3.006 2.741 3.255 . 0 0 "[ . 1 . 2]" 1
1479 1 68 ILE MD 1 70 TYR HH . . 5.500 4.082 3.679 4.531 . 0 0 "[ . 1 . 2]" 1
1480 1 68 ILE HG12 1 69 LYS H . . 5.500 5.158 4.824 5.316 . 0 0 "[ . 1 . 2]" 1
1481 1 68 ILE HG13 1 69 LYS H . . 5.500 4.792 4.769 4.845 . 0 0 "[ . 1 . 2]" 1
1482 1 68 ILE MG 1 69 LYS H . . 4.480 2.496 2.036 2.891 . 0 0 "[ . 1 . 2]" 1
1483 1 68 ILE MG 1 70 TYR HA . . 5.500 4.537 4.414 4.685 . 0 0 "[ . 1 . 2]" 1
1484 1 68 ILE MG 1 70 TYR QD . . 4.770 3.777 3.520 4.091 . 0 0 "[ . 1 . 2]" 1
1485 1 68 ILE MG 1 70 TYR QE . . 4.290 2.908 2.559 3.495 . 0 0 "[ . 1 . 2]" 1
1486 1 68 ILE MG 1 70 TYR HH . . 5.190 3.480 3.225 3.868 . 0 0 "[ . 1 . 2]" 1
1487 1 69 LYS H 1 69 LYS HG2 . . 5.500 4.158 2.520 4.705 . 0 0 "[ . 1 . 2]" 1
1488 1 69 LYS H 1 69 LYS QG . . 4.750 3.471 2.471 4.011 . 0 0 "[ . 1 . 2]" 1
1489 1 69 LYS H 1 69 LYS HG3 . . 5.500 3.835 3.002 4.544 . 0 0 "[ . 1 . 2]" 1
1490 1 69 LYS QB 1 69 LYS QE . . 3.990 2.844 2.035 3.655 . 0 0 "[ . 1 . 2]" 1
1491 1 70 TYR H 1 70 TYR QD . . 4.560 2.760 2.546 2.999 . 0 0 "[ . 1 . 2]" 1
1492 1 70 TYR H 1 70 TYR QE . . 5.500 4.958 4.795 5.189 . 0 0 "[ . 1 . 2]" 1
1493 1 70 TYR H 1 71 ASP H . . 5.500 4.447 4.404 4.511 . 0 0 "[ . 1 . 2]" 1
1494 1 70 TYR H 1 72 THR H . . 5.500 5.235 4.749 5.510 0.010 18 0 "[ . 1 . 2]" 1
1495 1 70 TYR HA 1 70 TYR QD . . 4.330 3.064 2.822 3.124 . 0 0 "[ . 1 . 2]" 1
1496 1 70 TYR HA 1 70 TYR QE . . 5.500 4.619 4.545 4.679 . 0 0 "[ . 1 . 2]" 1
1497 1 70 TYR HA 1 72 THR H . . 5.500 4.538 3.852 4.966 . 0 0 "[ . 1 . 2]" 1
1498 1 70 TYR QB 1 71 ASP H . . 3.740 2.145 1.889 3.031 . 0 0 "[ . 1 . 2]" 1
1499 1 70 TYR QB 1 75 GLN QB . . 4.270 2.468 2.002 3.002 . 0 0 "[ . 1 . 2]" 1
1500 1 70 TYR QB 1 75 GLN QE . . 4.760 2.850 1.952 3.782 . 0 0 "[ . 1 . 2]" 1
1501 1 70 TYR QB 1 75 GLN QG . . 5.180 3.650 3.114 4.425 . 0 0 "[ . 1 . 2]" 1
1502 1 70 TYR QB 1 76 ALA MB . . 4.530 3.185 2.950 3.545 . 0 0 "[ . 1 . 2]" 1
1503 1 70 TYR HB2 1 71 ASP H . . 4.550 3.504 3.249 4.214 . 0 0 "[ . 1 . 2]" 1
1504 1 70 TYR HB2 1 72 THR H . . 4.650 3.644 3.331 4.031 . 0 0 "[ . 1 . 2]" 1
1505 1 70 TYR HB2 1 76 ALA H . . 5.500 3.927 3.545 4.186 . 0 0 "[ . 1 . 2]" 1
1506 1 70 TYR HB3 1 71 ASP H . . 4.550 2.167 1.902 3.108 . 0 0 "[ . 1 . 2]" 1
1507 1 70 TYR HB3 1 72 THR H . . 4.650 2.753 2.464 3.031 . 0 0 "[ . 1 . 2]" 1
1508 1 70 TYR HB3 1 76 ALA H . . 5.500 4.559 4.121 4.780 . 0 0 "[ . 1 . 2]" 1
1509 1 70 TYR QD 1 71 ASP H . . 4.650 3.434 3.087 3.829 . 0 0 "[ . 1 . 2]" 1
1510 1 70 TYR QD 1 72 THR H . . 5.350 4.501 4.199 4.695 . 0 0 "[ . 1 . 2]" 1
1511 1 70 TYR QD 1 75 GLN QB . . 3.670 2.913 2.337 3.533 . 0 0 "[ . 1 . 2]" 1
1512 1 70 TYR QD 1 75 GLN QG . . 5.220 2.845 1.992 3.971 . 0 0 "[ . 1 . 2]" 1
1513 1 70 TYR QD 1 76 ALA HA . . 4.010 3.790 3.212 4.018 0.008 20 0 "[ . 1 . 2]" 1
1514 1 70 TYR QE 1 75 GLN QG . . 4.870 3.660 2.719 4.622 . 0 0 "[ . 1 . 2]" 1
1515 1 70 TYR QE 1 76 ALA HA . . 4.710 3.919 3.270 4.460 . 0 0 "[ . 1 . 2]" 1
1516 1 70 TYR QE 1 79 CYS QB . . 4.720 3.791 3.488 4.033 . 0 0 "[ . 1 . 2]" 1
1517 1 70 TYR QE 1 79 CYS HG . . 4.460 3.803 2.950 4.363 . 0 0 "[ . 1 . 2]" 1
1518 1 70 TYR HH 1 79 CYS HB2 . . 5.500 4.277 3.821 5.088 . 0 0 "[ . 1 . 2]" 1
1519 1 70 TYR HH 1 79 CYS HB3 . . 5.500 4.711 3.951 5.491 . 0 0 "[ . 1 . 2]" 1
1520 1 70 TYR HH 1 79 CYS HG . . 5.500 5.192 4.681 5.501 0.001 20 0 "[ . 1 . 2]" 1
1521 1 71 ASP H 1 72 THR H . . 4.670 2.514 2.203 2.876 . 0 0 "[ . 1 . 2]" 1
1522 1 71 ASP H 1 75 GLN QB . . 4.910 4.002 3.574 4.847 . 0 0 "[ . 1 . 2]" 1
1523 1 71 ASP QB 1 72 THR H . . 4.180 2.630 2.240 2.986 . 0 0 "[ . 1 . 2]" 1
1524 1 71 ASP QB 1 72 THR MG . . 4.160 2.789 2.377 3.344 . 0 0 "[ . 1 . 2]" 1
1525 1 71 ASP QB 1 75 GLN QE . . 4.250 2.871 2.247 3.645 . 0 0 "[ . 1 . 2]" 1
1526 1 71 ASP HB2 1 72 THR H . . 4.800 3.542 3.104 3.942 . 0 0 "[ . 1 . 2]" 1
1527 1 71 ASP HB2 1 72 THR MG . . 5.010 4.186 3.631 4.836 . 0 0 "[ . 1 . 2]" 1
1528 1 71 ASP HB2 1 75 GLN HE21 . . 5.500 4.282 3.478 5.343 . 0 0 "[ . 1 . 2]" 1
1529 1 71 ASP HB2 1 75 GLN HE22 . . 5.500 3.557 2.414 4.865 . 0 0 "[ . 1 . 2]" 1
1530 1 71 ASP HB3 1 72 THR H . . 4.800 2.756 2.264 3.415 . 0 0 "[ . 1 . 2]" 1
1531 1 71 ASP HB3 1 72 THR MG . . 5.010 2.835 2.395 3.409 . 0 0 "[ . 1 . 2]" 1
1532 1 71 ASP HB3 1 75 GLN HE21 . . 5.500 4.352 3.651 5.258 . 0 0 "[ . 1 . 2]" 1
1533 1 71 ASP HB3 1 75 GLN HE22 . . 5.500 3.475 2.554 4.771 . 0 0 "[ . 1 . 2]" 1
1534 1 72 THR H 1 72 THR HG1 . . 5.500 2.939 1.955 3.633 . 0 0 "[ . 1 . 2]" 1
1535 1 72 THR H 1 72 THR MG . . 4.270 2.932 2.740 3.167 . 0 0 "[ . 1 . 2]" 1
1536 1 72 THR H 1 75 GLN HB2 . . 4.680 3.118 2.630 3.906 . 0 0 "[ . 1 . 2]" 1
1537 1 72 THR H 1 75 GLN HB3 . . 4.680 3.814 3.236 4.148 . 0 0 "[ . 1 . 2]" 1
1538 1 72 THR H 1 76 ALA H . . 5.500 5.156 4.979 5.417 . 0 0 "[ . 1 . 2]" 1
1539 1 72 THR HA 1 73 HIS H . . 3.480 2.456 2.344 2.574 . 0 0 "[ . 1 . 2]" 1
1540 1 72 THR HA 1 74 GLU H . . 5.400 4.430 4.251 4.564 . 0 0 "[ . 1 . 2]" 1
1541 1 72 THR HG1 1 74 GLU H . . 5.500 3.870 2.878 4.937 . 0 0 "[ . 1 . 2]" 1
1542 1 72 THR HG1 1 74 GLU HB2 . . 5.500 4.407 2.567 5.497 . 0 0 "[ . 1 . 2]" 1
1543 1 72 THR HG1 1 74 GLU HB3 . . 5.500 4.382 3.280 5.486 . 0 0 "[ . 1 . 2]" 1
1544 1 72 THR HG1 1 75 GLN H . . 5.330 2.694 1.889 3.556 . 0 0 "[ . 1 . 2]" 1
1545 1 72 THR HG1 1 75 GLN QB . . 5.340 2.369 1.899 3.199 . 0 0 "[ . 1 . 2]" 1
1546 1 72 THR HG1 1 75 GLN HE21 . . 5.500 4.431 3.077 5.364 . 0 0 "[ . 1 . 2]" 1
1547 1 72 THR HG1 1 75 GLN HE22 . . 5.500 4.331 3.333 5.132 . 0 0 "[ . 1 . 2]" 1
1548 1 72 THR HG1 1 75 GLN HG2 . . 5.500 4.731 4.375 5.318 . 0 0 "[ . 1 . 2]" 1
1549 1 72 THR HG1 1 75 GLN HG3 . . 5.500 4.078 3.104 4.737 . 0 0 "[ . 1 . 2]" 1
1550 1 72 THR MG 1 73 HIS H . . 4.880 3.630 3.341 3.762 . 0 0 "[ . 1 . 2]" 1
1551 1 72 THR MG 1 75 GLN H . . 5.440 4.425 4.304 4.513 . 0 0 "[ . 1 . 2]" 1
1552 1 72 THR MG 1 75 GLN QB . . 4.080 3.967 3.588 4.096 0.016 1 0 "[ . 1 . 2]" 1
1553 1 72 THR MG 1 75 GLN QE . . 5.090 3.946 3.176 4.452 . 0 0 "[ . 1 . 2]" 1
1554 1 72 THR MG 1 75 GLN QG . . 5.340 4.979 4.253 5.334 . 0 0 "[ . 1 . 2]" 1
1555 1 73 HIS H 1 73 HIS HD2 . . 5.470 4.806 4.184 5.119 . 0 0 "[ . 1 . 2]" 1
1556 1 73 HIS H 1 74 GLU H . . 4.570 2.404 2.297 2.594 . 0 0 "[ . 1 . 2]" 1
1557 1 73 HIS H 1 74 GLU HA . . 5.500 5.041 4.939 5.207 . 0 0 "[ . 1 . 2]" 1
1558 1 73 HIS H 1 76 ALA H . . 5.500 5.072 4.864 5.280 . 0 0 "[ . 1 . 2]" 1
1559 1 73 HIS HA 1 76 ALA MB . . 4.910 2.970 2.563 3.387 . 0 0 "[ . 1 . 2]" 1
1560 1 73 HIS HA 1 97 TRP HH2 . . 5.370 3.488 2.769 3.958 . 0 0 "[ . 1 . 2]" 1
1561 1 73 HIS HA 1 97 TRP HZ3 . . 5.150 4.039 3.564 4.683 . 0 0 "[ . 1 . 2]" 1
1562 1 73 HIS QB 1 74 GLU H . . 4.100 3.295 2.574 3.515 . 0 0 "[ . 1 . 2]" 1
1563 1 73 HIS QB 1 97 TRP HZ3 . . 5.340 4.419 3.705 5.341 0.001 6 0 "[ . 1 . 2]" 1
1564 1 73 HIS HD2 1 74 GLU H . . 5.500 3.736 2.875 4.110 . 0 0 "[ . 1 . 2]" 1
1565 1 73 HIS HD2 1 74 GLU HA . . 5.490 3.395 2.663 3.944 . 0 0 "[ . 1 . 2]" 1
1566 1 73 HIS HD2 1 97 TRP HH2 . . 5.500 4.137 2.891 4.865 . 0 0 "[ . 1 . 2]" 1
1567 1 74 GLU H 1 74 GLU QG . . 4.290 3.357 1.876 3.941 . 0 0 "[ . 1 . 2]" 1
1568 1 74 GLU H 1 75 GLN H . . 4.600 2.681 2.619 2.726 . 0 0 "[ . 1 . 2]" 1
1569 1 74 GLU H 1 76 ALA H . . 5.500 4.288 4.087 4.608 . 0 0 "[ . 1 . 2]" 1
1570 1 74 GLU H 1 77 ALA H . . 5.500 4.977 4.851 5.140 . 0 0 "[ . 1 . 2]" 1
1571 1 74 GLU H 1 77 ALA MB . . 5.500 4.843 4.623 5.136 . 0 0 "[ . 1 . 2]" 1
1572 1 74 GLU HA 1 76 ALA H . . 5.500 4.198 4.006 4.690 . 0 0 "[ . 1 . 2]" 1
1573 1 74 GLU HA 1 77 ALA H . . 5.010 3.358 3.145 3.630 . 0 0 "[ . 1 . 2]" 1
1574 1 74 GLU HA 1 78 VAL H . . 5.500 4.720 4.317 5.296 . 0 0 "[ . 1 . 2]" 1
1575 1 74 GLU QB 1 77 ALA MB . . 5.340 4.222 3.728 4.585 . 0 0 "[ . 1 . 2]" 1
1576 1 74 GLU QG 1 78 VAL QG . . 4.860 4.309 3.442 4.873 0.013 13 0 "[ . 1 . 2]" 1
1577 1 75 GLN H 1 75 GLN QB . . 3.600 2.087 2.044 2.231 . 0 0 "[ . 1 . 2]" 1
1578 1 75 GLN H 1 75 GLN HG2 . . 4.800 4.554 4.366 4.670 . 0 0 "[ . 1 . 2]" 1
1579 1 75 GLN H 1 75 GLN HG3 . . 4.800 3.885 3.352 4.349 . 0 0 "[ . 1 . 2]" 1
1580 1 75 GLN H 1 76 ALA H . . 4.380 2.614 2.477 2.735 . 0 0 "[ . 1 . 2]" 1
1581 1 75 GLN HA 1 75 GLN QE . . 5.340 4.596 4.416 4.723 . 0 0 "[ . 1 . 2]" 1
1582 1 75 GLN HA 1 78 VAL H . . 5.370 3.690 3.431 3.865 . 0 0 "[ . 1 . 2]" 1
1583 1 75 GLN HA 1 78 VAL HB . . 5.000 3.515 3.122 3.867 . 0 0 "[ . 1 . 2]" 1
1584 1 75 GLN HA 1 78 VAL MG1 . . 5.500 4.676 4.407 5.108 . 0 0 "[ . 1 . 2]" 1
1585 1 75 GLN HA 1 78 VAL QG . . 4.450 2.917 2.349 3.515 . 0 0 "[ . 1 . 2]" 1
1586 1 75 GLN HA 1 78 VAL MG2 . . 5.500 2.953 2.356 3.581 . 0 0 "[ . 1 . 2]" 1
1587 1 75 GLN HA 1 79 CYS H . . 5.500 4.946 4.444 5.298 . 0 0 "[ . 1 . 2]" 1
1588 1 75 GLN QG 1 76 ALA H . . 5.340 4.361 4.038 4.497 . 0 0 "[ . 1 . 2]" 1
1589 1 76 ALA H 1 76 ALA MB . . 3.640 2.141 2.036 2.258 . 0 0 "[ . 1 . 2]" 1
1590 1 76 ALA H 1 77 ALA H . . 4.320 2.548 2.424 2.822 . 0 0 "[ . 1 . 2]" 1
1591 1 76 ALA H 1 78 VAL H . . 5.500 4.126 3.935 4.460 . 0 0 "[ . 1 . 2]" 1
1592 1 76 ALA H 1 97 TRP HH2 . . 3.900 3.870 3.722 3.923 0.023 20 0 "[ . 1 . 2]" 1
1593 1 76 ALA HA 1 79 CYS H . . 5.190 3.467 3.237 3.779 . 0 0 "[ . 1 . 2]" 1
1594 1 76 ALA HA 1 79 CYS QB . . 4.440 3.325 2.711 4.107 . 0 0 "[ . 1 . 2]" 1
1595 1 76 ALA MB 1 77 ALA H . . 4.210 2.737 2.478 2.921 . 0 0 "[ . 1 . 2]" 1
1596 1 76 ALA MB 1 77 ALA HA . . 5.500 3.802 3.692 3.928 . 0 0 "[ . 1 . 2]" 1
1597 1 76 ALA MB 1 80 ILE H . . 5.130 4.565 4.336 4.754 . 0 0 "[ . 1 . 2]" 1
1598 1 76 ALA MB 1 97 TRP HE3 . . 4.880 3.753 3.441 4.038 . 0 0 "[ . 1 . 2]" 1
1599 1 76 ALA MB 1 97 TRP HH2 . . 3.870 2.262 1.939 2.537 . 0 0 "[ . 1 . 2]" 1
1600 1 76 ALA MB 1 97 TRP HZ3 . . 3.760 2.126 1.862 2.597 . 0 0 "[ . 1 . 2]" 1
1601 1 77 ALA H 1 78 VAL H . . 4.230 2.682 2.447 2.787 . 0 0 "[ . 1 . 2]" 1
1602 1 77 ALA H 1 97 TRP HH2 . . 4.830 3.087 2.317 3.770 . 0 0 "[ . 1 . 2]" 1
1603 1 77 ALA H 1 97 TRP HZ3 . . 5.500 4.783 4.089 5.459 . 0 0 "[ . 1 . 2]" 1
1604 1 77 ALA HA 1 80 ILE H . . 3.920 3.480 3.161 3.643 . 0 0 "[ . 1 . 2]" 1
1605 1 77 ALA HA 1 80 ILE MD . . 4.470 1.973 1.804 2.136 . 0 0 "[ . 1 . 2]" 1
1606 1 77 ALA HA 1 80 ILE QG . . 5.340 3.728 3.187 3.974 . 0 0 "[ . 1 . 2]" 1
1607 1 77 ALA HA 1 80 ILE MG . . 5.190 3.634 3.271 4.202 . 0 0 "[ . 1 . 2]" 1
1608 1 77 ALA HA 1 97 TRP HE1 . . 5.500 5.113 4.670 5.483 . 0 0 "[ . 1 . 2]" 1
1609 1 77 ALA HA 1 97 TRP HH2 . . 5.500 3.969 3.132 4.762 . 0 0 "[ . 1 . 2]" 1
1610 1 77 ALA HA 1 97 TRP HZ2 . . 5.290 3.596 3.042 4.029 . 0 0 "[ . 1 . 2]" 1
1611 1 77 ALA MB 1 78 VAL H . . 4.080 2.746 2.602 2.904 . 0 0 "[ . 1 . 2]" 1
1612 1 77 ALA MB 1 78 VAL HA . . 5.500 3.772 3.716 3.831 . 0 0 "[ . 1 . 2]" 1
1613 1 77 ALA MB 1 78 VAL QG . . 4.260 3.204 3.002 3.373 . 0 0 "[ . 1 . 2]" 1
1614 1 77 ALA MB 1 79 CYS H . . 5.260 4.768 4.478 4.976 . 0 0 "[ . 1 . 2]" 1
1615 1 77 ALA MB 1 97 TRP HE1 . . 5.500 4.628 3.914 5.110 . 0 0 "[ . 1 . 2]" 1
1616 1 77 ALA MB 1 97 TRP HH2 . . 4.150 3.346 2.701 4.068 . 0 0 "[ . 1 . 2]" 1
1617 1 77 ALA MB 1 97 TRP HZ2 . . 4.170 2.933 2.411 3.503 . 0 0 "[ . 1 . 2]" 1
1618 1 78 VAL H 1 78 VAL HB . . 3.830 2.450 2.328 2.564 . 0 0 "[ . 1 . 2]" 1
1619 1 78 VAL H 1 78 VAL QG . . 4.280 2.265 2.076 2.570 . 0 0 "[ . 1 . 2]" 1
1620 1 78 VAL H 1 79 CYS H . . 4.190 2.705 2.579 2.851 . 0 0 "[ . 1 . 2]" 1
1621 1 78 VAL H 1 79 CYS QB . . 5.340 4.577 4.329 5.002 . 0 0 "[ . 1 . 2]" 1
1622 1 78 VAL HA 1 81 VAL HB . . 4.480 4.052 3.507 4.488 0.008 1 0 "[ . 1 . 2]" 1
1623 1 78 VAL HA 1 82 ALA H . . 5.440 4.233 4.005 4.452 . 0 0 "[ . 1 . 2]" 1
1624 1 78 VAL HB 1 79 CYS H . . 5.500 2.477 2.232 2.872 . 0 0 "[ . 1 . 2]" 1
1625 1 78 VAL HB 1 80 ILE H . . 4.940 4.759 4.540 4.953 0.013 12 0 "[ . 1 . 2]" 1
1626 1 78 VAL QG 1 79 CYS H . . 4.900 3.054 2.706 3.249 . 0 0 "[ . 1 . 2]" 1
1627 1 78 VAL QG 1 80 ILE H . . 5.440 4.384 4.258 4.503 . 0 0 "[ . 1 . 2]" 1
1628 1 78 VAL QG 1 82 ALA H . . 5.100 3.912 3.401 4.215 . 0 0 "[ . 1 . 2]" 1
1629 1 79 CYS H 1 79 CYS QB . . 3.700 2.286 2.178 2.471 . 0 0 "[ . 1 . 2]" 1
1630 1 79 CYS H 1 79 CYS HG . . 5.500 4.621 4.166 5.009 . 0 0 "[ . 1 . 2]" 1
1631 1 79 CYS H 1 80 ILE H . . 4.320 2.579 2.333 2.709 . 0 0 "[ . 1 . 2]" 1
1632 1 79 CYS HA 1 82 ALA H . . 5.500 3.408 3.260 3.663 . 0 0 "[ . 1 . 2]" 1
1633 1 79 CYS HA 1 82 ALA MB . . 4.350 2.202 2.022 2.669 . 0 0 "[ . 1 . 2]" 1
1634 1 79 CYS HG 1 80 ILE HA . . 4.800 4.335 3.588 4.798 . 0 0 "[ . 1 . 2]" 1
1635 1 80 ILE H 1 80 ILE HB . . 3.630 2.218 2.162 2.286 . 0 0 "[ . 1 . 2]" 1
1636 1 80 ILE H 1 80 ILE HG12 . . 4.550 4.206 3.972 4.368 . 0 0 "[ . 1 . 2]" 1
1637 1 80 ILE H 1 80 ILE QG . . 3.710 3.055 2.635 3.528 . 0 0 "[ . 1 . 2]" 1
1638 1 80 ILE H 1 80 ILE HG13 . . 4.550 3.148 2.675 3.814 . 0 0 "[ . 1 . 2]" 1
1639 1 80 ILE H 1 82 ALA MB . . 5.210 4.481 4.368 4.620 . 0 0 "[ . 1 . 2]" 1
1640 1 80 ILE HA 1 82 ALA H . . 5.500 4.622 4.487 4.906 . 0 0 "[ . 1 . 2]" 1
1641 1 80 ILE HA 1 83 LEU H . . 5.260 3.932 3.723 4.180 . 0 0 "[ . 1 . 2]" 1
1642 1 80 ILE HA 1 84 ALA H . . 5.500 4.513 4.229 4.797 . 0 0 "[ . 1 . 2]" 1
1643 1 80 ILE HA 1 95 THR HA . . 5.500 4.145 4.027 4.449 . 0 0 "[ . 1 . 2]" 1
1644 1 80 ILE HA 1 95 THR HB . . 3.970 2.272 1.992 2.679 . 0 0 "[ . 1 . 2]" 1
1645 1 80 ILE HA 1 95 THR HG1 . . 4.340 3.650 3.325 4.124 . 0 0 "[ . 1 . 2]" 1
1646 1 80 ILE HA 1 95 THR MG . . 4.210 2.404 1.960 3.063 . 0 0 "[ . 1 . 2]" 1
1647 1 80 ILE HB 1 81 VAL HA . . 5.300 4.780 4.649 4.911 . 0 0 "[ . 1 . 2]" 1
1648 1 80 ILE HB 1 81 VAL HB . . 4.260 4.369 4.279 4.448 0.188 20 0 "[ . 1 . 2]" 1
1649 1 80 ILE HB 1 82 ALA H . . 5.500 4.831 4.689 4.968 . 0 0 "[ . 1 . 2]" 1
1650 1 80 ILE HB 1 96 GLY H . . 5.500 5.537 5.519 5.578 0.078 17 0 "[ . 1 . 2]" 1
1651 1 80 ILE MD 1 97 TRP H . . 5.500 3.674 2.799 4.547 . 0 0 "[ . 1 . 2]" 1
1652 1 80 ILE MD 1 97 TRP HA . . 5.500 3.235 2.631 3.635 . 0 0 "[ . 1 . 2]" 1
1653 1 80 ILE MD 1 97 TRP HD1 . . 5.500 4.366 3.740 4.996 . 0 0 "[ . 1 . 2]" 1
1654 1 80 ILE MD 1 97 TRP HE3 . . 4.670 3.425 2.907 4.133 . 0 0 "[ . 1 . 2]" 1
1655 1 80 ILE MD 1 97 TRP HH2 . . 5.500 3.457 3.070 4.084 . 0 0 "[ . 1 . 2]" 1
1656 1 80 ILE MD 1 97 TRP HZ2 . . 5.500 3.305 2.748 3.954 . 0 0 "[ . 1 . 2]" 1
1657 1 80 ILE MD 1 97 TRP HZ3 . . 5.500 3.511 3.015 4.401 . 0 0 "[ . 1 . 2]" 1
1658 1 80 ILE QG 1 95 THR HA . . 5.340 4.167 3.789 4.675 . 0 0 "[ . 1 . 2]" 1
1659 1 80 ILE QG 1 95 THR HB . . 5.150 2.831 2.279 3.480 . 0 0 "[ . 1 . 2]" 1
1660 1 80 ILE QG 1 95 THR HG1 . . 5.340 4.308 3.697 4.950 . 0 0 "[ . 1 . 2]" 1
1661 1 80 ILE QG 1 96 GLY H . . 4.740 2.724 2.506 2.963 . 0 0 "[ . 1 . 2]" 1
1662 1 80 ILE QG 1 96 GLY QA . . 5.180 3.002 2.665 3.466 . 0 0 "[ . 1 . 2]" 1
1663 1 80 ILE HG12 1 96 GLY H . . 5.500 3.050 2.549 3.838 . 0 0 "[ . 1 . 2]" 1
1664 1 80 ILE HG13 1 96 GLY H . . 5.500 3.337 2.719 4.281 . 0 0 "[ . 1 . 2]" 1
1665 1 80 ILE MG 1 81 VAL H . . 4.280 2.428 2.197 2.633 . 0 0 "[ . 1 . 2]" 1
1666 1 80 ILE MG 1 81 VAL HA . . 4.850 2.925 2.827 3.036 . 0 0 "[ . 1 . 2]" 1
1667 1 80 ILE MG 1 82 ALA H . . 5.310 4.428 4.286 4.605 . 0 0 "[ . 1 . 2]" 1
1668 1 80 ILE MG 1 84 ALA H . . 4.990 4.402 4.156 4.672 . 0 0 "[ . 1 . 2]" 1
1669 1 80 ILE MG 1 84 ALA HA . . 5.500 4.702 4.437 4.928 . 0 0 "[ . 1 . 2]" 1
1670 1 80 ILE MG 1 95 THR HB . . 4.200 2.567 2.082 2.834 . 0 0 "[ . 1 . 2]" 1
1671 1 80 ILE MG 1 95 THR HG1 . . 4.150 2.580 1.975 3.061 . 0 0 "[ . 1 . 2]" 1
1672 1 80 ILE MG 1 96 GLY H . . 4.700 3.884 3.467 4.117 . 0 0 "[ . 1 . 2]" 1
1673 1 80 ILE MG 1 96 GLY HA2 . . 5.040 3.439 2.979 3.696 . 0 0 "[ . 1 . 2]" 1
1674 1 80 ILE MG 1 96 GLY QA . . 4.350 3.366 2.931 3.605 . 0 0 "[ . 1 . 2]" 1
1675 1 80 ILE MG 1 96 GLY HA3 . . 5.040 4.792 4.348 5.014 . 0 0 "[ . 1 . 2]" 1
1676 1 80 ILE MG 1 97 TRP H . . 5.500 4.520 3.676 5.425 . 0 0 "[ . 1 . 2]" 1
1677 1 80 ILE MG 1 97 TRP HD1 . . 5.500 5.239 4.593 5.517 0.017 18 0 "[ . 1 . 2]" 1
1678 1 80 ILE MG 1 97 TRP HE1 . . 5.500 4.818 4.383 5.300 . 0 0 "[ . 1 . 2]" 1
1679 1 81 VAL H 1 81 VAL HB . . 3.820 2.220 2.130 2.283 . 0 0 "[ . 1 . 2]" 1
1680 1 81 VAL H 1 81 VAL QG . . 3.610 2.694 2.545 2.879 . 0 0 "[ . 1 . 2]" 1
1681 1 81 VAL H 1 82 ALA H . . 3.840 2.539 2.516 2.602 . 0 0 "[ . 1 . 2]" 1
1682 1 81 VAL H 1 84 ALA H . . 5.500 4.569 4.448 4.736 . 0 0 "[ . 1 . 2]" 1
1683 1 81 VAL H 1 95 THR HB . . 5.500 4.986 4.852 5.264 . 0 0 "[ . 1 . 2]" 1
1684 1 81 VAL H 1 95 THR HG1 . . 5.500 4.837 4.541 5.209 . 0 0 "[ . 1 . 2]" 1
1685 1 81 VAL HA 1 81 VAL QG . . 3.100 2.039 1.961 2.096 . 0 0 "[ . 1 . 2]" 1
1686 1 81 VAL HA 1 83 LEU H . . 4.550 4.253 3.684 4.575 0.025 19 0 "[ . 1 . 2]" 1
1687 1 81 VAL HA 1 84 ALA H . . 4.480 3.181 2.854 3.376 . 0 0 "[ . 1 . 2]" 1
1688 1 81 VAL HA 1 84 ALA MB . . 4.380 2.050 1.948 2.283 . 0 0 "[ . 1 . 2]" 1
1689 1 81 VAL HA 1 95 THR HG1 . . 5.500 3.527 3.197 3.884 . 0 0 "[ . 1 . 2]" 1
1690 1 81 VAL HB 1 82 ALA H . . 4.090 3.227 2.724 3.679 . 0 0 "[ . 1 . 2]" 1
1691 1 81 VAL QG 1 84 ALA H . . 5.400 3.939 3.773 4.032 . 0 0 "[ . 1 . 2]" 1
1692 1 81 VAL QG 1 95 THR HG1 . . 5.440 4.517 4.170 4.773 . 0 0 "[ . 1 . 2]" 1
1693 1 82 ALA H 1 82 ALA MB . . 3.660 2.147 2.025 2.234 . 0 0 "[ . 1 . 2]" 1
1694 1 82 ALA H 1 83 LEU H . . 4.190 2.694 2.539 2.888 . 0 0 "[ . 1 . 2]" 1
1695 1 82 ALA H 1 84 ALA H . . 5.500 3.771 3.670 3.970 . 0 0 "[ . 1 . 2]" 1
1696 1 82 ALA HA 1 83 LEU HA . . 5.500 4.635 4.536 4.694 . 0 0 "[ . 1 . 2]" 1
1697 1 82 ALA HA 1 84 ALA H . . 5.500 4.063 3.854 4.319 . 0 0 "[ . 1 . 2]" 1
1698 1 82 ALA MB 1 83 LEU H . . 3.820 2.673 2.381 3.026 . 0 0 "[ . 1 . 2]" 1
1699 1 82 ALA MB 1 83 LEU QD . . 4.150 2.471 2.167 4.106 . 0 0 "[ . 1 . 2]" 1
1700 1 83 LEU H 1 83 LEU MD1 . . 4.940 4.259 4.029 4.437 . 0 0 "[ . 1 . 2]" 1
1701 1 83 LEU H 1 83 LEU QD . . 4.170 2.641 2.395 3.721 . 0 0 "[ . 1 . 2]" 1
1702 1 83 LEU H 1 83 LEU MD2 . . 4.940 2.695 2.408 4.374 . 0 0 "[ . 1 . 2]" 1
1703 1 83 LEU H 1 84 ALA H . . 4.010 2.286 1.953 2.498 . 0 0 "[ . 1 . 2]" 1
1704 1 83 LEU H 1 84 ALA HA . . 5.500 4.753 4.467 4.932 . 0 0 "[ . 1 . 2]" 1
1705 1 83 LEU H 1 95 THR HG1 . . 5.500 4.652 3.910 5.276 . 0 0 "[ . 1 . 2]" 1
1706 1 83 LEU HA 1 83 LEU QD . . 3.750 1.983 1.877 2.939 . 0 0 "[ . 1 . 2]" 1
1707 1 83 LEU HA 1 86 PHE HB2 . . 4.940 3.470 3.222 3.676 . 0 0 "[ . 1 . 2]" 1
1708 1 83 LEU HA 1 86 PHE QB . . 4.140 2.233 2.109 2.355 . 0 0 "[ . 1 . 2]" 1
1709 1 83 LEU HA 1 86 PHE HB3 . . 4.940 2.261 2.138 2.388 . 0 0 "[ . 1 . 2]" 1
1710 1 83 LEU HA 1 86 PHE QD . . 5.500 3.090 2.824 3.293 . 0 0 "[ . 1 . 2]" 1
1711 1 83 LEU HA 1 86 PHE QE . . 4.680 4.289 3.908 4.643 . 0 0 "[ . 1 . 2]" 1
1712 1 83 LEU QB 1 84 ALA HA . . 5.340 4.019 3.968 4.066 . 0 0 "[ . 1 . 2]" 1
1713 1 83 LEU QB 1 86 PHE H . . 5.340 4.463 4.290 4.874 . 0 0 "[ . 1 . 2]" 1
1714 1 83 LEU QB 1 86 PHE QB . . 4.510 3.913 3.765 4.070 . 0 0 "[ . 1 . 2]" 1
1715 1 83 LEU QB 1 95 THR MG . . 4.010 1.691 1.630 1.784 . 0 0 "[ . 1 . 2]" 1
1716 1 83 LEU QD 1 84 ALA HA . . 5.440 5.025 4.082 5.144 . 0 0 "[ . 1 . 2]" 1
1717 1 83 LEU QD 1 86 PHE H . . 4.640 4.130 3.900 4.357 . 0 0 "[ . 1 . 2]" 1
1718 1 83 LEU QD 1 86 PHE QB . . 4.040 3.176 3.015 3.645 . 0 0 "[ . 1 . 2]" 1
1719 1 83 LEU QD 1 86 PHE QD . . 4.170 2.427 2.158 2.684 . 0 0 "[ . 1 . 2]" 1
1720 1 83 LEU QD 1 86 PHE QE . . 3.520 2.266 2.047 2.437 . 0 0 "[ . 1 . 2]" 1
1721 1 83 LEU QD 1 86 PHE HZ . . 5.440 3.063 2.603 3.403 . 0 0 "[ . 1 . 2]" 1
1722 1 83 LEU QD 1 95 THR HA . . 5.440 5.098 3.433 5.400 . 0 0 "[ . 1 . 2]" 1
1723 1 83 LEU QD 1 95 THR HB . . 5.440 5.219 4.124 5.463 0.023 12 0 "[ . 1 . 2]" 1
1724 1 83 LEU QD 1 95 THR MG . . 3.480 3.042 1.960 3.199 . 0 0 "[ . 1 . 2]" 1
1725 1 83 LEU MD1 1 86 PHE H . . 5.500 4.364 4.175 5.546 0.046 18 0 "[ . 1 . 2]" 1
1726 1 83 LEU MD1 1 86 PHE QD . . 4.800 2.514 2.180 3.769 . 0 0 "[ . 1 . 2]" 1
1727 1 83 LEU MD1 1 86 PHE QE . . 4.040 2.319 2.059 3.165 . 0 0 "[ . 1 . 2]" 1
1728 1 83 LEU MD2 1 86 PHE H . . 5.500 5.346 3.984 5.521 0.021 20 0 "[ . 1 . 2]" 1
1729 1 83 LEU MD2 1 86 PHE QD . . 4.800 3.649 2.747 3.934 . 0 0 "[ . 1 . 2]" 1
1730 1 83 LEU MD2 1 86 PHE QE . . 4.040 3.735 2.534 4.046 0.006 20 0 "[ . 1 . 2]" 1
1731 1 83 LEU HG 1 95 THR MG . . 3.660 3.370 3.264 3.591 . 0 0 "[ . 1 . 2]" 1
1732 1 84 ALA H 1 84 ALA MB . . 3.380 2.158 2.027 2.238 . 0 0 "[ . 1 . 2]" 1
1733 1 84 ALA H 1 85 ASN H . . 5.500 4.422 4.379 4.492 . 0 0 "[ . 1 . 2]" 1
1734 1 84 ALA H 1 86 PHE H . . 5.500 4.747 4.492 4.930 . 0 0 "[ . 1 . 2]" 1
1735 1 84 ALA H 1 95 THR HG1 . . 5.070 3.254 2.709 3.794 . 0 0 "[ . 1 . 2]" 1
1736 1 84 ALA H 1 95 THR MG . . 4.450 2.467 2.207 2.927 . 0 0 "[ . 1 . 2]" 1
1737 1 84 ALA HA 1 85 ASN HA . . 5.410 4.376 4.364 4.388 . 0 0 "[ . 1 . 2]" 1
1738 1 84 ALA HA 1 85 ASN QB . . 5.340 4.237 3.988 4.638 . 0 0 "[ . 1 . 2]" 1
1739 1 84 ALA HA 1 86 PHE H . . 5.150 4.091 3.790 4.225 . 0 0 "[ . 1 . 2]" 1
1740 1 84 ALA HA 1 95 THR H . . 5.110 3.861 3.557 4.192 . 0 0 "[ . 1 . 2]" 1
1741 1 84 ALA HA 1 95 THR HG1 . . 5.440 2.448 1.995 3.138 . 0 0 "[ . 1 . 2]" 1
1742 1 84 ALA HA 1 95 THR MG . . 4.160 2.457 2.038 2.934 . 0 0 "[ . 1 . 2]" 1
1743 1 84 ALA MB 1 85 ASN H . . 4.490 3.338 3.234 3.387 . 0 0 "[ . 1 . 2]" 1
1744 1 84 ALA MB 1 85 ASN QB . . 5.340 3.604 3.312 4.086 . 0 0 "[ . 1 . 2]" 1
1745 1 84 ALA MB 1 85 ASN QD . . 5.340 4.747 3.622 5.331 . 0 0 "[ . 1 . 2]" 1
1746 1 84 ALA MB 1 86 PHE H . . 5.360 4.676 4.438 4.828 . 0 0 "[ . 1 . 2]" 1
1747 1 84 ALA MB 1 94 ARG HA . . 5.490 5.108 4.631 5.489 . 0 0 "[ . 1 . 2]" 1
1748 1 84 ALA MB 1 95 THR H . . 5.390 4.769 4.467 5.129 . 0 0 "[ . 1 . 2]" 1
1749 1 84 ALA MB 1 95 THR HA . . 5.500 5.481 5.409 5.534 0.034 19 0 "[ . 1 . 2]" 1
1750 1 84 ALA MB 1 95 THR HG1 . . 4.220 2.132 1.952 2.550 . 0 0 "[ . 1 . 2]" 1
1751 1 85 ASN H 1 85 ASN QD . . 5.340 4.063 2.308 5.192 . 0 0 "[ . 1 . 2]" 1
1752 1 85 ASN H 1 86 PHE H . . 4.400 2.948 2.858 3.033 . 0 0 "[ . 1 . 2]" 1
1753 1 85 ASN H 1 92 ASN QB . . 5.340 5.061 4.811 5.311 . 0 0 "[ . 1 . 2]" 1
1754 1 85 ASN H 1 93 LEU H . . 5.500 4.926 4.623 5.103 . 0 0 "[ . 1 . 2]" 1
1755 1 85 ASN H 1 94 ARG H . . 5.500 5.254 4.930 5.474 . 0 0 "[ . 1 . 2]" 1
1756 1 85 ASN H 1 95 THR H . . 5.500 4.202 4.004 4.449 . 0 0 "[ . 1 . 2]" 1
1757 1 85 ASN H 1 95 THR MG . . 5.380 3.608 2.967 4.302 . 0 0 "[ . 1 . 2]" 1
1758 1 85 ASN HA 1 92 ASN HB2 . . 4.970 4.677 4.223 4.987 0.017 19 0 "[ . 1 . 2]" 1
1759 1 85 ASN HA 1 92 ASN QB . . 4.150 3.161 2.965 3.417 . 0 0 "[ . 1 . 2]" 1
1760 1 85 ASN HA 1 92 ASN HB3 . . 4.970 3.216 2.999 3.479 . 0 0 "[ . 1 . 2]" 1
1761 1 85 ASN QB 1 92 ASN QB . . 5.180 4.385 3.730 4.837 . 0 0 "[ . 1 . 2]" 1
1762 1 85 ASN QD 1 92 ASN QB . . 5.180 4.521 3.274 5.117 . 0 0 "[ . 1 . 2]" 1
1763 1 86 PHE H 1 86 PHE HB2 . . 4.170 3.591 3.503 3.641 . 0 0 "[ . 1 . 2]" 1
1764 1 86 PHE H 1 86 PHE HB3 . . 4.170 2.349 2.245 2.419 . 0 0 "[ . 1 . 2]" 1
1765 1 86 PHE H 1 86 PHE QE . . 5.130 4.916 4.684 5.105 . 0 0 "[ . 1 . 2]" 1
1766 1 86 PHE H 1 87 PRO QD . . 5.350 4.361 4.347 4.372 . 0 0 "[ . 1 . 2]" 1
1767 1 86 PHE H 1 92 ASN HA . . 5.500 4.617 4.484 4.805 . 0 0 "[ . 1 . 2]" 1
1768 1 86 PHE H 1 92 ASN QB . . 5.340 3.999 3.683 4.691 . 0 0 "[ . 1 . 2]" 1
1769 1 86 PHE H 1 93 LEU H . . 5.250 3.046 2.925 3.212 . 0 0 "[ . 1 . 2]" 1
1770 1 86 PHE H 1 93 LEU HB2 . . 5.350 3.740 3.484 3.857 . 0 0 "[ . 1 . 2]" 1
1771 1 86 PHE H 1 93 LEU QB . . 4.600 3.659 3.424 3.768 . 0 0 "[ . 1 . 2]" 1
1772 1 86 PHE H 1 93 LEU HB3 . . 5.350 5.187 5.035 5.306 . 0 0 "[ . 1 . 2]" 1
1773 1 86 PHE H 1 93 LEU QD . . 5.020 4.984 4.739 5.058 0.038 1 0 "[ . 1 . 2]" 1
1774 1 86 PHE H 1 93 LEU HG . . 5.500 5.247 4.791 5.385 . 0 0 "[ . 1 . 2]" 1
1775 1 86 PHE H 1 94 ARG HA . . 5.500 4.630 4.289 4.896 . 0 0 "[ . 1 . 2]" 1
1776 1 86 PHE HA 1 87 PRO QD . . 3.570 2.019 1.994 2.042 . 0 0 "[ . 1 . 2]" 1
1777 1 86 PHE HA 1 92 ASN QD . . 5.340 3.567 3.178 3.990 . 0 0 "[ . 1 . 2]" 1
1778 1 86 PHE QB 1 87 PRO QD . . 4.760 2.441 2.305 2.572 . 0 0 "[ . 1 . 2]" 1
1779 1 86 PHE QB 1 92 ASN QD . . 5.180 4.871 4.508 5.178 . 0 0 "[ . 1 . 2]" 1
1780 1 86 PHE QD 1 87 PRO HD2 . . 5.030 2.819 2.618 3.091 . 0 0 "[ . 1 . 2]" 1
1781 1 86 PHE QD 1 87 PRO QD . . 4.420 2.787 2.594 3.044 . 0 0 "[ . 1 . 2]" 1
1782 1 86 PHE QD 1 87 PRO HD3 . . 5.030 4.382 4.238 4.556 . 0 0 "[ . 1 . 2]" 1
1783 1 86 PHE QD 1 88 PHE HA . . 5.500 5.045 4.772 5.139 . 0 0 "[ . 1 . 2]" 1
1784 1 86 PHE QD 1 88 PHE QB . . 4.510 3.622 3.542 3.860 . 0 0 "[ . 1 . 2]" 1
1785 1 86 PHE QD 1 93 LEU MD1 . . 5.500 3.555 3.309 3.735 . 0 0 "[ . 1 . 2]" 1
1786 1 86 PHE QD 1 93 LEU QD . . 4.790 3.415 3.191 3.574 . 0 0 "[ . 1 . 2]" 1
1787 1 86 PHE QD 1 93 LEU MD2 . . 5.500 4.421 4.189 4.557 . 0 0 "[ . 1 . 2]" 1
1788 1 86 PHE QD 1 95 THR MG . . 5.500 4.519 3.925 4.778 . 0 0 "[ . 1 . 2]" 1
1789 1 86 PHE QE 1 88 PHE QB . . 3.530 2.162 1.984 2.765 . 0 0 "[ . 1 . 2]" 1
1790 1 86 PHE QE 1 93 LEU H . . 5.500 3.918 3.662 4.248 . 0 0 "[ . 1 . 2]" 1
1791 1 86 PHE QE 1 93 LEU MD1 . . 3.950 2.044 1.932 2.257 . 0 0 "[ . 1 . 2]" 1
1792 1 86 PHE QE 1 93 LEU QD . . 3.400 2.033 1.926 2.239 . 0 0 "[ . 1 . 2]" 1
1793 1 86 PHE QE 1 93 LEU MD2 . . 3.950 3.646 3.556 3.740 . 0 0 "[ . 1 . 2]" 1
1794 1 87 PRO HA 1 91 ARG H . . 5.500 4.992 4.136 5.221 . 0 0 "[ . 1 . 2]" 1
1795 1 87 PRO QB 1 92 ASN QD . . 5.180 3.146 2.341 3.865 . 0 0 "[ . 1 . 2]" 1
1796 1 87 PRO QG 1 88 PHE H . . 4.730 4.548 4.481 4.656 . 0 0 "[ . 1 . 2]" 1
1797 1 87 PRO QG 1 92 ASN HA . . 5.350 5.344 5.294 5.369 0.019 20 0 "[ . 1 . 2]" 1
1798 1 87 PRO QG 1 92 ASN QD . . 4.700 4.159 3.629 4.673 . 0 0 "[ . 1 . 2]" 1
1799 1 88 PHE H 1 88 PHE QD . . 5.340 4.439 4.391 4.465 . 0 0 "[ . 1 . 2]" 1
1800 1 88 PHE H 1 89 GLN H . . 5.500 3.957 3.890 4.046 . 0 0 "[ . 1 . 2]" 1
1801 1 88 PHE H 1 90 GLY H . . 5.500 3.324 3.236 3.499 . 0 0 "[ . 1 . 2]" 1
1802 1 88 PHE H 1 91 ARG H . . 4.840 3.175 2.293 3.373 . 0 0 "[ . 1 . 2]" 1
1803 1 88 PHE HA 1 88 PHE QE . . 5.500 4.434 4.369 4.527 . 0 0 "[ . 1 . 2]" 1
1804 1 88 PHE HA 1 89 GLN QG . . 5.340 4.115 3.399 5.257 . 0 0 "[ . 1 . 2]" 1
1805 1 88 PHE HA 1 90 GLY H . . 5.500 3.830 3.776 3.955 . 0 0 "[ . 1 . 2]" 1
1806 1 88 PHE QB 1 93 LEU QD . . 3.380 2.271 2.060 2.457 . 0 0 "[ . 1 . 2]" 1
1807 1 88 PHE QB 1 93 LEU HG . . 3.920 2.026 1.868 2.254 . 0 0 "[ . 1 . 2]" 1
1808 1 88 PHE HB2 1 89 GLN H . . 5.500 4.412 4.369 4.443 . 0 0 "[ . 1 . 2]" 1
1809 1 88 PHE HB2 1 93 LEU MD1 . . 4.400 2.813 2.615 2.999 . 0 0 "[ . 1 . 2]" 1
1810 1 88 PHE HB2 1 93 LEU MD2 . . 4.400 3.463 3.255 3.722 . 0 0 "[ . 1 . 2]" 1
1811 1 88 PHE HB2 1 93 LEU HG . . 4.470 2.221 2.012 2.479 . 0 0 "[ . 1 . 2]" 1
1812 1 88 PHE HB3 1 89 GLN H . . 5.500 4.341 4.305 4.381 . 0 0 "[ . 1 . 2]" 1
1813 1 88 PHE HB3 1 93 LEU MD1 . . 4.400 3.107 2.934 3.311 . 0 0 "[ . 1 . 2]" 1
1814 1 88 PHE HB3 1 93 LEU MD2 . . 4.400 2.582 2.197 2.894 . 0 0 "[ . 1 . 2]" 1
1815 1 88 PHE HB3 1 93 LEU HG . . 4.470 2.350 2.213 2.625 . 0 0 "[ . 1 . 2]" 1
1816 1 88 PHE QD 1 89 GLN H . . 5.500 3.462 3.174 3.681 . 0 0 "[ . 1 . 2]" 1
1817 1 88 PHE QD 1 89 GLN QG . . 5.340 3.740 2.836 4.834 . 0 0 "[ . 1 . 2]" 1
1818 1 88 PHE QD 1 93 LEU MD1 . . 4.380 2.803 2.603 3.013 . 0 0 "[ . 1 . 2]" 1
1819 1 88 PHE QD 1 93 LEU QD . . 3.820 2.202 1.912 2.442 . 0 0 "[ . 1 . 2]" 1
1820 1 88 PHE QD 1 93 LEU MD2 . . 4.380 2.309 1.967 2.585 . 0 0 "[ . 1 . 2]" 1
1821 1 88 PHE QD 1 93 LEU HG . . 5.500 3.426 3.250 3.794 . 0 0 "[ . 1 . 2]" 1
1822 1 88 PHE QE 1 89 GLN HE21 . . 5.500 3.556 2.736 4.946 . 0 0 "[ . 1 . 2]" 1
1823 1 88 PHE QE 1 89 GLN QE . . 4.830 3.091 2.264 4.109 . 0 0 "[ . 1 . 2]" 1
1824 1 88 PHE QE 1 89 GLN HE22 . . 5.500 3.814 2.304 5.033 . 0 0 "[ . 1 . 2]" 1
1825 1 88 PHE QE 1 89 GLN QG . . 4.750 3.617 2.863 4.653 . 0 0 "[ . 1 . 2]" 1
1826 1 88 PHE QE 1 93 LEU QD . . 4.200 3.322 3.146 3.524 . 0 0 "[ . 1 . 2]" 1
1827 1 88 PHE HZ 1 89 GLN HE21 . . 5.500 3.404 2.545 5.128 . 0 0 "[ . 1 . 2]" 1
1828 1 88 PHE HZ 1 89 GLN HE22 . . 5.500 3.531 2.210 4.865 . 0 0 "[ . 1 . 2]" 1
1829 1 88 PHE HZ 1 89 GLN QG . . 5.340 4.079 3.284 5.216 . 0 0 "[ . 1 . 2]" 1
1830 1 89 GLN H 1 89 GLN HG2 . . 4.720 3.513 2.396 4.713 . 0 0 "[ . 1 . 2]" 1
1831 1 89 GLN H 1 89 GLN HG3 . . 4.720 3.188 2.301 3.768 . 0 0 "[ . 1 . 2]" 1
1832 1 89 GLN H 1 90 GLY H . . 4.700 2.803 2.749 2.867 . 0 0 "[ . 1 . 2]" 1
1833 1 89 GLN HA 1 89 GLN QE . . 5.340 4.694 3.890 5.026 . 0 0 "[ . 1 . 2]" 1
1834 1 89 GLN HA 1 89 GLN QG . . 3.730 2.375 2.037 2.670 . 0 0 "[ . 1 . 2]" 1
1835 1 89 GLN HA 1 91 ARG H . . 4.920 4.395 4.320 4.461 . 0 0 "[ . 1 . 2]" 1
1836 1 90 GLY H 1 91 ARG H . . 4.390 2.776 2.366 2.898 . 0 0 "[ . 1 . 2]" 1
1837 1 91 ARG H 1 91 ARG QD . . 5.340 4.402 3.727 4.923 . 0 0 "[ . 1 . 2]" 1
1838 1 91 ARG H 1 91 ARG HG2 . . 5.250 4.453 3.152 4.813 . 0 0 "[ . 1 . 2]" 1
1839 1 91 ARG H 1 91 ARG QG . . 4.500 3.825 2.766 4.091 . 0 0 "[ . 1 . 2]" 1
1840 1 91 ARG H 1 91 ARG HG3 . . 5.250 4.207 3.051 4.561 . 0 0 "[ . 1 . 2]" 1
1841 1 91 ARG HA 1 91 ARG QD . . 4.360 3.605 2.495 3.998 . 0 0 "[ . 1 . 2]" 1
1842 1 91 ARG HA 1 92 ASN QB . . 5.340 4.335 4.035 4.592 . 0 0 "[ . 1 . 2]" 1
1843 1 91 ARG QB 1 92 ASN H . . 4.190 3.331 2.926 3.697 . 0 0 "[ . 1 . 2]" 1
1844 1 91 ARG QB 1 93 LEU QD . . 4.850 3.224 3.029 3.411 . 0 0 "[ . 1 . 2]" 1
1845 1 91 ARG HB2 1 92 ASN H . . 4.990 4.281 4.045 4.392 . 0 0 "[ . 1 . 2]" 1
1846 1 91 ARG HB3 1 92 ASN H . . 4.990 3.486 2.993 4.090 . 0 0 "[ . 1 . 2]" 1
1847 1 91 ARG QD 1 92 ASN H . . 5.310 4.551 3.234 4.956 . 0 0 "[ . 1 . 2]" 1
1848 1 91 ARG QG 1 93 LEU QD . . 4.930 4.160 2.960 4.932 0.002 9 0 "[ . 1 . 2]" 1
1849 1 92 ASN H 1 92 ASN QD . . 5.340 4.056 2.859 4.536 . 0 0 "[ . 1 . 2]" 1
1850 1 92 ASN H 1 93 LEU H . . 5.500 4.606 4.583 4.621 . 0 0 "[ . 1 . 2]" 1
1851 1 92 ASN HA 1 92 ASN HD22 . . 5.500 3.946 3.302 4.287 . 0 0 "[ . 1 . 2]" 1
1852 1 92 ASN HA 1 93 LEU QB . . 5.340 4.391 4.333 4.478 . 0 0 "[ . 1 . 2]" 1
1853 1 92 ASN HA 1 93 LEU MD1 . . 5.500 5.250 5.167 5.416 . 0 0 "[ . 1 . 2]" 1
1854 1 92 ASN HA 1 93 LEU MD2 . . 5.500 3.705 3.320 3.954 . 0 0 "[ . 1 . 2]" 1
1855 1 92 ASN HA 1 93 LEU HG . . 5.290 3.845 3.744 4.083 . 0 0 "[ . 1 . 2]" 1
1856 1 93 LEU H 1 93 LEU MD1 . . 4.320 4.237 4.128 4.332 0.012 18 0 "[ . 1 . 2]" 1
1857 1 93 LEU H 1 93 LEU MD2 . . 4.320 3.265 2.934 3.492 . 0 0 "[ . 1 . 2]" 1
1858 1 93 LEU H 1 93 LEU HG . . 3.990 2.987 2.746 3.127 . 0 0 "[ . 1 . 2]" 1
1859 1 93 LEU HA 1 93 LEU QD . . 3.850 1.993 1.927 2.101 . 0 0 "[ . 1 . 2]" 1
1860 1 93 LEU HA 1 94 ARG QB . . 5.340 3.941 3.865 4.103 . 0 0 "[ . 1 . 2]" 1
1861 1 93 LEU QB 1 94 ARG HA . . 5.340 4.102 4.010 4.188 . 0 0 "[ . 1 . 2]" 1
1862 1 93 LEU QD 1 94 ARG H . . 3.990 3.268 3.141 3.436 . 0 0 "[ . 1 . 2]" 1
1863 1 93 LEU MD1 1 94 ARG H . . 4.550 4.002 3.752 4.182 . 0 0 "[ . 1 . 2]" 1
1864 1 93 LEU MD2 1 94 ARG H . . 4.550 3.473 3.287 3.756 . 0 0 "[ . 1 . 2]" 1
1865 1 93 LEU HG 1 94 ARG H . . 5.500 4.876 4.773 5.021 . 0 0 "[ . 1 . 2]" 1
1866 1 94 ARG H 1 95 THR H . . 5.500 4.462 4.422 4.489 . 0 0 "[ . 1 . 2]" 1
1867 1 94 ARG HA 1 95 THR MG . . 5.500 3.604 3.265 4.008 . 0 0 "[ . 1 . 2]" 1
1868 1 94 ARG QB 1 95 THR H . . 4.400 2.605 2.281 2.732 . 0 0 "[ . 1 . 2]" 1
1869 1 94 ARG HB2 1 95 THR H . . 5.050 3.837 3.752 3.900 . 0 0 "[ . 1 . 2]" 1
1870 1 94 ARG HB3 1 95 THR H . . 5.050 2.651 2.301 2.790 . 0 0 "[ . 1 . 2]" 1
1871 1 94 ARG QG 1 95 THR H . . 5.220 2.200 1.870 3.571 . 0 0 "[ . 1 . 2]" 1
1872 1 95 THR H 1 95 THR HG1 . . 5.500 3.890 3.629 4.035 . 0 0 "[ . 1 . 2]" 1
1873 1 95 THR H 1 95 THR MG . . 4.510 3.301 3.081 3.530 . 0 0 "[ . 1 . 2]" 1
1874 1 95 THR HA 1 96 GLY QA . . 5.340 3.956 3.936 3.996 . 0 0 "[ . 1 . 2]" 1
1875 1 95 THR HB 1 96 GLY H . . 4.240 2.629 2.229 2.831 . 0 0 "[ . 1 . 2]" 1
1876 1 95 THR HG1 1 96 GLY H . . 5.500 4.525 4.016 4.899 . 0 0 "[ . 1 . 2]" 1
1877 1 95 THR MG 1 96 GLY H . . 4.690 3.626 3.381 3.905 . 0 0 "[ . 1 . 2]" 1
1878 1 96 GLY H 1 97 TRP H . . 5.500 3.826 1.962 4.390 . 0 0 "[ . 1 . 2]" 1
1879 1 96 GLY QA 1 97 TRP HD1 . . 5.340 4.536 3.903 5.065 . 0 0 "[ . 1 . 2]" 1
1880 1 97 TRP H 1 97 TRP QB . . 3.690 2.534 2.219 3.241 . 0 0 "[ . 1 . 2]" 1
1881 1 97 TRP H 1 97 TRP HD1 . . 4.550 3.490 2.972 4.226 . 0 0 "[ . 1 . 2]" 1
1882 1 97 TRP H 1 97 TRP HE1 . . 5.500 5.158 4.621 5.547 0.047 14 0 "[ . 1 . 2]" 1
1883 1 97 TRP H 1 97 TRP HE3 . . 5.500 4.685 4.330 5.219 . 0 0 "[ . 1 . 2]" 1
1884 1 97 TRP HA 1 97 TRP HE3 . . 4.890 2.298 1.988 2.750 . 0 0 "[ . 1 . 2]" 1
1885 1 97 TRP HZ3 1 98 GLY H . . 5.500 5.090 4.485 5.407 . 0 0 "[ . 1 . 2]" 1
1886 1 98 GLY H 1 99 LYS H . . 5.500 4.439 3.523 4.645 . 0 0 "[ . 1 . 2]" 1
1887 1 99 LYS H 1 99 LYS QB . . 3.680 2.672 2.260 2.903 . 0 0 "[ . 1 . 2]" 1
1888 1 99 LYS H 1 100 GLU H . . 5.130 3.975 3.168 4.522 . 0 0 "[ . 1 . 2]" 1
1889 1 99 LYS QB 1 99 LYS QE . . 4.130 3.153 2.569 3.685 . 0 0 "[ . 1 . 2]" 1
1890 1 99 LYS QB 1 101 ARG HA . . 4.820 4.531 3.855 4.826 0.006 9 0 "[ . 1 . 2]" 1
1891 1 99 LYS HB2 1 100 GLU H . . 5.370 4.350 3.696 4.671 . 0 0 "[ . 1 . 2]" 1
1892 1 99 LYS HB3 1 100 GLU H . . 5.370 3.567 2.212 4.418 . 0 0 "[ . 1 . 2]" 1
1893 1 99 LYS QG 1 100 GLU H . . 5.340 3.585 2.059 4.488 . 0 0 "[ . 1 . 2]" 1
1894 1 100 GLU H 1 100 GLU HG2 . . 5.450 3.746 1.908 4.673 . 0 0 "[ . 1 . 2]" 1
1895 1 100 GLU H 1 100 GLU QG . . 4.750 3.174 1.895 4.004 . 0 0 "[ . 1 . 2]" 1
1896 1 100 GLU H 1 100 GLU HG3 . . 5.450 3.677 2.327 4.595 . 0 0 "[ . 1 . 2]" 1
1897 1 100 GLU H 1 101 ARG H . . 5.290 3.610 2.470 4.562 . 0 0 "[ . 1 . 2]" 1
1898 1 101 ARG H 1 101 ARG QG . . 4.670 3.126 2.152 4.256 . 0 0 "[ . 1 . 2]" 1
1899 1 101 ARG HA 1 101 ARG QD . . 4.660 3.628 2.269 4.348 . 0 0 "[ . 1 . 2]" 1
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