Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
520965 | 2l4e RC | 17238 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l4e
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 1098
_Distance_constraint_stats_list.Viol_count 2644
_Distance_constraint_stats_list.Viol_total 4077.382
_Distance_constraint_stats_list.Viol_max 0.972
_Distance_constraint_stats_list.Viol_rms 0.0380
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0093
_Distance_constraint_stats_list.Viol_average_violations_only 0.0771
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ILE 0.825 0.099 7 0 "[ . 1 . 2]"
1 4 LYS 1.275 0.108 19 0 "[ . 1 . 2]"
1 5 ARG 6.948 0.330 9 0 "[ . 1 . 2]"
1 6 LYS 4.884 0.228 2 0 "[ . 1 . 2]"
1 7 ASP 4.447 0.151 5 0 "[ . 1 . 2]"
1 8 ALA 2.256 0.151 5 0 "[ . 1 . 2]"
1 9 SER 3.576 0.117 3 0 "[ . 1 . 2]"
1 10 PRO 11.362 0.260 7 0 "[ . 1 . 2]"
1 11 GLU 8.494 0.260 7 0 "[ . 1 . 2]"
1 12 GLN 4.458 0.193 1 0 "[ . 1 . 2]"
1 13 GLU 7.032 0.193 1 0 "[ . 1 . 2]"
1 14 ALA 3.746 0.133 14 0 "[ . 1 . 2]"
1 15 ILE 1.467 0.082 14 0 "[ . 1 . 2]"
1 16 GLU 1.271 0.104 18 0 "[ . 1 . 2]"
1 17 SER 5.318 0.181 1 0 "[ . 1 . 2]"
1 18 PHE 16.630 0.494 8 0 "[ . 1 . 2]"
1 19 THR 10.244 0.228 7 0 "[ . 1 . 2]"
1 20 SER 12.971 0.206 7 0 "[ . 1 . 2]"
1 21 LEU 4.901 0.143 2 0 "[ . 1 . 2]"
1 22 THR 2.619 0.143 2 0 "[ . 1 . 2]"
1 23 LYS 2.986 0.140 18 0 "[ . 1 . 2]"
1 24 CYS 1.687 0.141 16 0 "[ . 1 . 2]"
1 25 ASP 4.219 0.170 10 0 "[ . 1 . 2]"
1 26 PRO 7.736 0.226 11 0 "[ . 1 . 2]"
1 27 LYS 12.454 0.308 5 0 "[ . 1 . 2]"
1 28 VAL 1.831 0.080 10 0 "[ . 1 . 2]"
1 29 SER 2.704 0.180 17 0 "[ . 1 . 2]"
1 30 ARG 3.205 0.180 17 0 "[ . 1 . 2]"
1 31 LYS 5.509 0.205 14 0 "[ . 1 . 2]"
1 32 TYR 5.077 0.242 8 0 "[ . 1 . 2]"
1 33 LEU 14.298 0.559 3 1 "[ + . 1 . 2]"
1 34 GLN 16.966 0.468 3 0 "[ . 1 . 2]"
1 35 ARG 3.112 0.242 8 0 "[ . 1 . 2]"
1 36 ASN 15.306 0.972 3 4 "[**+ . 1 - . 2]"
1 37 HIS 2.478 0.077 1 0 "[ . 1 . 2]"
1 38 TRP 26.648 0.559 3 1 "[ + . 1 . 2]"
1 39 ASN 12.007 0.703 1 7 "[+ * . -1 ** .* * 2]"
1 40 ILE 9.342 0.235 7 0 "[ . 1 . 2]"
1 41 ASN 4.729 0.171 9 0 "[ . 1 . 2]"
1 42 TYR 11.238 0.703 1 7 "[+ * . -1 ** .* * 2]"
1 43 ALA 3.183 0.171 9 0 "[ . 1 . 2]"
1 44 LEU 3.565 0.097 14 0 "[ . 1 . 2]"
1 45 ASN 4.560 0.214 2 0 "[ . 1 . 2]"
1 46 ASP 11.824 0.972 3 4 "[**+ . 1 - . 2]"
1 47 TYR 5.174 0.123 19 0 "[ . 1 . 2]"
1 48 TYR 12.177 0.214 2 0 "[ . 1 . 2]"
1 49 ASP 9.015 0.187 15 0 "[ . 1 . 2]"
1 50 LYS 6.481 0.169 6 0 "[ . 1 . 2]"
1 51 GLU 1.329 0.087 14 0 "[ . 1 . 2]"
1 52 ILE 2.930 0.087 14 0 "[ . 1 . 2]"
1 53 GLY 0.334 0.093 16 0 "[ . 1 . 2]"
1 54 THR 0.820 0.093 16 0 "[ . 1 . 2]"
1 55 PHE 5.834 0.136 3 0 "[ . 1 . 2]"
1 56 THR 4.020 0.136 3 0 "[ . 1 . 2]"
1 57 ASP 2.154 0.147 1 0 "[ . 1 . 2]"
1 58 GLU 2.963 0.147 1 0 "[ . 1 . 2]"
1 59 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ILE HA 1 4 LYS H . . 3.240 2.956 2.335 3.339 0.099 7 0 "[ . 1 . 2]" 1
2 1 3 ILE HA 1 4 LYS QG . . 5.200 4.359 3.437 4.957 . 0 0 "[ . 1 . 2]" 1
3 1 3 ILE HA 1 5 ARG H . . 5.320 3.845 3.199 5.415 0.095 10 0 "[ . 1 . 2]" 1
4 1 3 ILE HB 1 4 LYS H . . 5.040 3.496 1.959 4.481 . 0 0 "[ . 1 . 2]" 1
5 1 3 ILE HB 1 4 LYS QG . . 4.060 3.861 2.604 4.131 0.071 4 0 "[ . 1 . 2]" 1
6 1 3 ILE MG 1 4 LYS H . . 5.150 4.020 3.425 4.299 . 0 0 "[ . 1 . 2]" 1
7 1 4 LYS H 1 4 LYS HB3 . . 3.820 3.540 2.650 3.928 0.108 19 0 "[ . 1 . 2]" 1
8 1 4 LYS H 1 4 LYS HD2 . . 4.680 4.356 2.952 4.787 0.107 3 0 "[ . 1 . 2]" 1
9 1 4 LYS H 1 4 LYS QD . . 5.450 3.925 2.888 4.364 . 0 0 "[ . 1 . 2]" 1
10 1 4 LYS HA 1 5 ARG H . . 3.190 3.004 2.126 3.271 0.081 14 0 "[ . 1 . 2]" 1
11 1 4 LYS HB2 1 4 LYS QD . . 3.790 2.694 2.340 3.559 . 0 0 "[ . 1 . 2]" 1
12 1 4 LYS QE 1 4 LYS QG . . 3.080 2.238 2.107 2.368 . 0 0 "[ . 1 . 2]" 1
13 1 5 ARG H 1 5 ARG HB3 . . 3.650 3.408 2.470 3.805 0.155 13 0 "[ . 1 . 2]" 1
14 1 5 ARG H 1 5 ARG HG2 . . 4.430 3.280 1.804 4.520 0.090 5 0 "[ . 1 . 2]" 1
15 1 5 ARG H 1 5 ARG HG3 . . 5.100 2.678 1.844 4.439 . 0 0 "[ . 1 . 2]" 1
16 1 5 ARG HA 1 5 ARG QD . . 4.590 3.796 2.038 4.501 . 0 0 "[ . 1 . 2]" 1
17 1 5 ARG HA 1 6 LYS H . . 3.230 2.440 2.165 3.255 0.025 18 0 "[ . 1 . 2]" 1
18 1 5 ARG HB2 1 5 ARG QD . . 3.610 2.715 2.343 3.340 . 0 0 "[ . 1 . 2]" 1
19 1 5 ARG HB2 1 5 ARG HG2 . . 2.910 2.898 2.437 3.034 0.124 12 0 "[ . 1 . 2]" 1
20 1 5 ARG HB2 1 8 ALA H . . 5.500 3.597 3.143 5.336 . 0 0 "[ . 1 . 2]" 1
21 1 5 ARG HB2 1 8 ALA HA . . 5.170 4.744 4.058 5.234 0.064 19 0 "[ . 1 . 2]" 1
22 1 5 ARG HB2 1 8 ALA MB . . 4.630 2.554 1.937 3.660 . 0 0 "[ . 1 . 2]" 1
23 1 5 ARG HB3 1 5 ARG QD . . 3.910 2.706 2.306 3.554 . 0 0 "[ . 1 . 2]" 1
24 1 5 ARG HB3 1 5 ARG HG2 . . 2.670 2.458 2.267 3.000 0.330 9 0 "[ . 1 . 2]" 1
25 1 5 ARG HB3 1 5 ARG HG3 . . 2.760 2.882 2.420 3.016 0.256 18 0 "[ . 1 . 2]" 1
26 1 5 ARG HB3 1 6 LYS H . . 5.070 2.939 2.388 4.634 . 0 0 "[ . 1 . 2]" 1
27 1 5 ARG HB3 1 8 ALA MB . . 4.240 3.553 2.424 4.251 0.011 3 0 "[ . 1 . 2]" 1
28 1 5 ARG QD 1 8 ALA MB . . 5.340 3.471 1.928 4.954 . 0 0 "[ . 1 . 2]" 1
29 1 5 ARG HG2 1 6 LYS H . . 5.280 4.276 3.629 5.294 0.014 6 0 "[ . 1 . 2]" 1
30 1 5 ARG HG2 1 7 ASP H . . 5.410 4.936 3.326 5.441 0.031 7 0 "[ . 1 . 2]" 1
31 1 6 LYS H 1 6 LYS HB3 . . 3.630 3.388 2.634 3.709 0.079 11 0 "[ . 1 . 2]" 1
32 1 6 LYS H 1 6 LYS HD3 . . 4.520 4.087 1.787 4.719 0.199 19 0 "[ . 1 . 2]" 1
33 1 6 LYS H 1 7 ASP H . . 3.250 2.614 2.074 3.015 . 0 0 "[ . 1 . 2]" 1
34 1 6 LYS HA 1 6 LYS QD . . 3.910 3.624 2.066 4.138 0.228 2 0 "[ . 1 . 2]" 1
35 1 6 LYS HA 1 7 ASP H . . 3.080 3.123 2.989 3.196 0.116 2 0 "[ . 1 . 2]" 1
36 1 6 LYS HA 1 7 ASP HA . . 4.340 4.407 4.353 4.440 0.100 2 0 "[ . 1 . 2]" 1
37 1 6 LYS HA 1 8 ALA H . . 4.750 3.769 3.476 4.129 . 0 0 "[ . 1 . 2]" 1
38 1 6 LYS HB2 1 7 ASP H . . 4.570 4.089 3.783 4.524 . 0 0 "[ . 1 . 2]" 1
39 1 6 LYS HB2 1 7 ASP HA . . 5.140 5.023 4.897 5.159 0.019 7 0 "[ . 1 . 2]" 1
40 1 6 LYS HB3 1 6 LYS QD . . 3.410 2.647 2.263 3.366 . 0 0 "[ . 1 . 2]" 1
41 1 7 ASP H 1 7 ASP HB2 . . 3.930 3.221 2.650 3.898 . 0 0 "[ . 1 . 2]" 1
42 1 7 ASP H 1 7 ASP HB3 . . 3.690 2.984 2.754 3.808 0.118 11 0 "[ . 1 . 2]" 1
43 1 7 ASP H 1 8 ALA H . . 3.800 2.033 1.800 2.281 . 0 0 "[ . 1 . 2]" 1
44 1 7 ASP H 1 8 ALA HA . . 5.390 4.374 3.907 4.623 . 0 0 "[ . 1 . 2]" 1
45 1 7 ASP HA 1 8 ALA H . . 3.030 3.057 2.939 3.130 0.100 12 0 "[ . 1 . 2]" 1
46 1 7 ASP HA 1 8 ALA MB . . 4.880 4.664 4.540 4.778 . 0 0 "[ . 1 . 2]" 1
47 1 7 ASP HB2 1 8 ALA H . . 4.770 4.431 3.886 4.634 . 0 0 "[ . 1 . 2]" 1
48 1 7 ASP HB2 1 8 ALA MB . . 5.490 5.294 4.386 5.641 0.151 5 0 "[ . 1 . 2]" 1
49 1 7 ASP HB3 1 8 ALA H . . 4.300 4.082 3.810 4.423 0.123 8 0 "[ . 1 . 2]" 1
50 1 8 ALA H 1 8 ALA MB . . 3.430 2.392 2.130 2.746 . 0 0 "[ . 1 . 2]" 1
51 1 8 ALA H 1 9 SER H . . 4.820 4.518 4.383 4.658 . 0 0 "[ . 1 . 2]" 1
52 1 8 ALA HA 1 9 SER H . . 2.900 2.450 2.296 2.645 . 0 0 "[ . 1 . 2]" 1
53 1 8 ALA HA 1 12 GLN HB2 . . 4.890 3.545 3.188 3.926 . 0 0 "[ . 1 . 2]" 1
54 1 8 ALA HA 1 12 GLN HB3 . . 4.650 3.290 2.772 3.673 . 0 0 "[ . 1 . 2]" 1
55 1 8 ALA HA 1 12 GLN QG . . 5.160 3.106 2.651 3.404 . 0 0 "[ . 1 . 2]" 1
56 1 8 ALA MB 1 9 SER H . . 3.970 2.305 2.074 2.597 . 0 0 "[ . 1 . 2]" 1
57 1 8 ALA MB 1 9 SER HA . . 4.680 3.968 3.902 4.127 . 0 0 "[ . 1 . 2]" 1
58 1 8 ALA MB 1 9 SER HB3 . . 5.500 4.568 4.358 4.687 . 0 0 "[ . 1 . 2]" 1
59 1 8 ALA MB 1 10 PRO HA . . 5.500 5.480 5.325 5.533 0.033 10 0 "[ . 1 . 2]" 1
60 1 8 ALA MB 1 10 PRO QD . . 5.500 5.290 5.207 5.396 . 0 0 "[ . 1 . 2]" 1
61 1 8 ALA MB 1 12 GLN HB2 . . 4.450 3.861 3.187 4.227 . 0 0 "[ . 1 . 2]" 1
62 1 8 ALA MB 1 12 GLN HB3 . . 4.040 3.120 2.203 3.775 . 0 0 "[ . 1 . 2]" 1
63 1 8 ALA MB 1 12 GLN QG . . 4.410 3.933 3.254 4.404 . 0 0 "[ . 1 . 2]" 1
64 1 8 ALA MB 1 13 GLU H . . 5.260 4.653 4.235 4.992 . 0 0 "[ . 1 . 2]" 1
65 1 8 ALA MB 1 13 GLU HA . . 5.290 4.798 4.195 5.290 . 0 0 "[ . 1 . 2]" 1
66 1 8 ALA MB 1 13 GLU QB . . 5.130 4.970 4.575 5.146 0.016 2 0 "[ . 1 . 2]" 1
67 1 8 ALA MB 1 13 GLU HG2 . . 4.610 3.548 2.759 3.988 . 0 0 "[ . 1 . 2]" 1
68 1 8 ALA MB 1 13 GLU HG3 . . 4.810 3.721 3.052 4.573 . 0 0 "[ . 1 . 2]" 1
69 1 9 SER H 1 9 SER HB2 . . 4.090 3.941 3.837 3.975 . 0 0 "[ . 1 . 2]" 1
70 1 9 SER H 1 9 SER HB3 . . 3.740 2.979 2.788 3.193 . 0 0 "[ . 1 . 2]" 1
71 1 9 SER H 1 10 PRO HA . . 4.970 4.928 4.854 5.059 0.089 7 0 "[ . 1 . 2]" 1
72 1 9 SER H 1 10 PRO QD . . 4.610 4.363 4.342 4.392 . 0 0 "[ . 1 . 2]" 1
73 1 9 SER H 1 12 GLN HB2 . . 4.220 2.094 1.823 2.596 . 0 0 "[ . 1 . 2]" 1
74 1 9 SER H 1 12 GLN HB3 . . 4.110 2.320 1.965 2.557 . 0 0 "[ . 1 . 2]" 1
75 1 9 SER H 1 12 GLN HE21 . . 5.500 3.855 3.446 5.088 . 0 0 "[ . 1 . 2]" 1
76 1 9 SER H 1 12 GLN QG . . 5.220 3.391 3.216 3.519 . 0 0 "[ . 1 . 2]" 1
77 1 9 SER HA 1 10 PRO QD . . 2.910 2.398 2.324 2.486 . 0 0 "[ . 1 . 2]" 1
78 1 9 SER HA 1 10 PRO HG2 . . 4.870 4.813 4.653 4.883 0.013 11 0 "[ . 1 . 2]" 1
79 1 9 SER HA 1 10 PRO HG3 . . 5.210 4.895 4.820 4.995 . 0 0 "[ . 1 . 2]" 1
80 1 9 SER HB2 1 10 PRO QD . . 3.530 1.880 1.804 1.944 . 0 0 "[ . 1 . 2]" 1
81 1 9 SER HB2 1 10 PRO HG2 . . 4.940 4.063 3.794 4.168 . 0 0 "[ . 1 . 2]" 1
82 1 9 SER HB2 1 11 GLU H . . 4.360 3.507 3.158 3.673 . 0 0 "[ . 1 . 2]" 1
83 1 9 SER HB2 1 12 GLN H . . 4.800 3.955 3.774 4.057 . 0 0 "[ . 1 . 2]" 1
84 1 9 SER HB2 1 12 GLN HB2 . . 5.240 4.077 4.002 4.354 . 0 0 "[ . 1 . 2]" 1
85 1 9 SER HB3 1 10 PRO QD . . 3.300 3.391 3.372 3.417 0.117 3 0 "[ . 1 . 2]" 1
86 1 9 SER HB3 1 11 GLU H . . 4.720 4.386 4.339 4.520 . 0 0 "[ . 1 . 2]" 1
87 1 9 SER HB3 1 12 GLN H . . 4.650 3.780 3.671 3.949 . 0 0 "[ . 1 . 2]" 1
88 1 9 SER HB3 1 12 GLN HB2 . . 4.600 3.032 2.914 3.514 . 0 0 "[ . 1 . 2]" 1
89 1 9 SER HB3 1 12 GLN HB3 . . 4.390 4.468 4.428 4.491 0.101 3 0 "[ . 1 . 2]" 1
90 1 9 SER HB3 1 12 GLN QG . . 5.090 4.087 3.854 4.899 . 0 0 "[ . 1 . 2]" 1
91 1 10 PRO HA 1 11 GLU HA . . 4.950 4.769 4.691 4.798 . 0 0 "[ . 1 . 2]" 1
92 1 10 PRO HA 1 12 GLN H . . 5.500 4.248 4.127 4.471 . 0 0 "[ . 1 . 2]" 1
93 1 10 PRO HA 1 13 GLU H . . 4.060 3.518 3.432 3.629 . 0 0 "[ . 1 . 2]" 1
94 1 10 PRO HA 1 13 GLU QB . . 3.270 3.054 2.818 3.273 0.003 8 0 "[ . 1 . 2]" 1
95 1 10 PRO HA 1 13 GLU HG2 . . 4.920 4.425 3.435 4.986 0.066 6 0 "[ . 1 . 2]" 1
96 1 10 PRO HA 1 13 GLU HG3 . . 4.690 3.439 3.102 3.607 . 0 0 "[ . 1 . 2]" 1
97 1 10 PRO HA 1 14 ALA H . . 4.980 5.054 5.018 5.084 0.104 16 0 "[ . 1 . 2]" 1
98 1 10 PRO HB2 1 11 GLU H . . 4.580 3.443 3.186 3.505 . 0 0 "[ . 1 . 2]" 1
99 1 10 PRO HB2 1 11 GLU HG2 . . 5.110 4.798 4.650 5.288 0.178 4 0 "[ . 1 . 2]" 1
100 1 10 PRO HB2 1 11 GLU HG3 . . 5.440 3.996 3.797 4.544 . 0 0 "[ . 1 . 2]" 1
101 1 10 PRO HB2 1 13 GLU H . . 5.330 5.379 5.336 5.456 0.126 11 0 "[ . 1 . 2]" 1
102 1 10 PRO HB3 1 11 GLU H . . 4.000 4.060 4.036 4.083 0.083 2 0 "[ . 1 . 2]" 1
103 1 10 PRO QD 1 11 GLU H . . 4.110 2.496 2.423 2.785 . 0 0 "[ . 1 . 2]" 1
104 1 10 PRO HG2 1 11 GLU H . . 4.820 1.984 1.960 2.026 . 0 0 "[ . 1 . 2]" 1
105 1 10 PRO HG2 1 11 GLU HB3 . . 4.520 4.764 4.735 4.780 0.260 7 0 "[ . 1 . 2]" 1
106 1 10 PRO HG3 1 11 GLU H . . 4.840 3.603 3.578 3.653 . 0 0 "[ . 1 . 2]" 1
107 1 11 GLU H 1 11 GLU HB2 . . 3.630 2.347 2.186 2.413 . 0 0 "[ . 1 . 2]" 1
108 1 11 GLU H 1 11 GLU HG2 . . 4.790 3.611 3.473 4.155 . 0 0 "[ . 1 . 2]" 1
109 1 11 GLU H 1 11 GLU HG3 . . 3.980 2.462 2.281 3.945 . 0 0 "[ . 1 . 2]" 1
110 1 11 GLU H 1 12 GLN H . . 3.830 2.399 2.345 2.513 . 0 0 "[ . 1 . 2]" 1
111 1 11 GLU H 1 12 GLN HB2 . . 5.020 4.164 4.109 4.448 . 0 0 "[ . 1 . 2]" 1
112 1 11 GLU HA 1 11 GLU HG2 . . 4.040 2.544 2.450 3.547 . 0 0 "[ . 1 . 2]" 1
113 1 11 GLU HA 1 11 GLU HG3 . . 3.900 2.988 2.253 3.117 . 0 0 "[ . 1 . 2]" 1
114 1 11 GLU HA 1 13 GLU H . . 5.440 4.051 3.907 4.126 . 0 0 "[ . 1 . 2]" 1
115 1 11 GLU HA 1 14 ALA H . . 4.490 3.518 3.305 3.692 . 0 0 "[ . 1 . 2]" 1
116 1 11 GLU HA 1 14 ALA MB . . 4.010 3.134 2.868 3.591 . 0 0 "[ . 1 . 2]" 1
117 1 11 GLU HA 1 38 TRP HE3 . . 3.640 3.078 2.840 3.225 . 0 0 "[ . 1 . 2]" 1
118 1 11 GLU HA 1 38 TRP HZ3 . . 3.640 2.561 2.408 3.338 . 0 0 "[ . 1 . 2]" 1
119 1 11 GLU HB2 1 12 GLN H . . 4.060 2.815 2.620 3.268 . 0 0 "[ . 1 . 2]" 1
120 1 11 GLU HB2 1 38 TRP HH2 . . 5.250 4.451 4.259 5.054 . 0 0 "[ . 1 . 2]" 1
121 1 11 GLU HB3 1 12 GLN H . . 4.600 3.797 3.682 3.879 . 0 0 "[ . 1 . 2]" 1
122 1 11 GLU HB3 1 15 ILE MD . . 5.420 2.117 2.063 2.831 . 0 0 "[ . 1 . 2]" 1
123 1 11 GLU HB3 1 38 TRP HH2 . . 4.450 2.839 2.603 3.475 . 0 0 "[ . 1 . 2]" 1
124 1 11 GLU HB3 1 38 TRP HZ3 . . 4.180 2.632 2.456 2.896 . 0 0 "[ . 1 . 2]" 1
125 1 11 GLU HG2 1 38 TRP HH2 . . 5.490 3.141 2.965 3.917 . 0 0 "[ . 1 . 2]" 1
126 1 11 GLU HG2 1 38 TRP HZ2 . . 4.190 3.767 3.381 4.238 0.048 4 0 "[ . 1 . 2]" 1
127 1 11 GLU HG3 1 15 ILE MD . . 4.550 4.604 4.554 4.632 0.082 14 0 "[ . 1 . 2]" 1
128 1 11 GLU HG3 1 38 TRP HH2 . . 4.540 4.580 4.213 4.623 0.083 5 0 "[ . 1 . 2]" 1
129 1 12 GLN H 1 12 GLN HB2 . . 3.480 2.036 2.009 2.151 . 0 0 "[ . 1 . 2]" 1
130 1 12 GLN H 1 12 GLN HB3 . . 3.580 3.141 2.731 3.320 . 0 0 "[ . 1 . 2]" 1
131 1 12 GLN H 1 12 GLN HE21 . . 3.570 2.624 2.435 3.492 . 0 0 "[ . 1 . 2]" 1
132 1 12 GLN H 1 12 GLN HE22 . . 4.590 3.647 3.428 4.695 0.105 8 0 "[ . 1 . 2]" 1
133 1 12 GLN H 1 12 GLN QG . . 3.950 3.860 3.728 3.989 0.039 8 0 "[ . 1 . 2]" 1
134 1 12 GLN H 1 13 GLU H . . 3.700 2.526 2.393 2.734 . 0 0 "[ . 1 . 2]" 1
135 1 12 GLN H 1 14 ALA MB . . 5.500 5.211 4.956 5.511 0.011 11 0 "[ . 1 . 2]" 1
136 1 12 GLN H 1 15 ILE MD . . 5.500 3.942 3.718 4.411 . 0 0 "[ . 1 . 2]" 1
137 1 12 GLN HA 1 12 GLN QG . . 3.590 2.446 2.134 2.741 . 0 0 "[ . 1 . 2]" 1
138 1 12 GLN HA 1 15 ILE H . . 4.100 3.040 2.881 3.200 . 0 0 "[ . 1 . 2]" 1
139 1 12 GLN HA 1 15 ILE HB . . 3.100 2.242 2.129 2.360 . 0 0 "[ . 1 . 2]" 1
140 1 12 GLN HA 1 15 ILE MD . . 3.820 3.059 2.851 3.253 . 0 0 "[ . 1 . 2]" 1
141 1 12 GLN HA 1 15 ILE HG12 . . 5.230 5.107 4.980 5.263 0.033 3 0 "[ . 1 . 2]" 1
142 1 12 GLN HA 1 15 ILE HG13 . . 5.010 4.177 4.011 4.306 . 0 0 "[ . 1 . 2]" 1
143 1 12 GLN HA 1 16 GLU H . . 5.060 3.473 3.282 3.674 . 0 0 "[ . 1 . 2]" 1
144 1 12 GLN HB2 1 13 GLU H . . 3.880 3.421 3.178 3.877 . 0 0 "[ . 1 . 2]" 1
145 1 12 GLN HB3 1 13 GLU H . . 3.980 3.174 2.969 3.297 . 0 0 "[ . 1 . 2]" 1
146 1 12 GLN HE21 1 13 GLU H . . 5.500 4.758 4.534 5.535 0.035 2 0 "[ . 1 . 2]" 1
147 1 12 GLN HE21 1 15 ILE MD . . 5.500 3.768 2.365 4.042 . 0 0 "[ . 1 . 2]" 1
148 1 12 GLN HE22 1 15 ILE MD . . 5.440 2.953 2.764 3.541 . 0 0 "[ . 1 . 2]" 1
149 1 12 GLN HE22 1 15 ILE MG . . 5.350 4.320 3.711 4.600 . 0 0 "[ . 1 . 2]" 1
150 1 12 GLN QG 1 13 GLU H . . 4.520 4.533 4.278 4.593 0.073 20 0 "[ . 1 . 2]" 1
151 1 12 GLN QG 1 13 GLU HA . . 4.990 5.013 4.333 5.183 0.193 1 0 "[ . 1 . 2]" 1
152 1 12 GLN QG 1 15 ILE MD . . 5.060 4.499 4.269 4.898 . 0 0 "[ . 1 . 2]" 1
153 1 12 GLN QG 1 16 GLU HA . . 5.310 5.176 4.979 5.323 0.013 18 0 "[ . 1 . 2]" 1
154 1 12 GLN QG 1 16 GLU HG3 . . 3.620 2.605 2.328 3.114 . 0 0 "[ . 1 . 2]" 1
155 1 13 GLU H 1 13 GLU QB . . 3.020 2.365 2.304 2.455 . 0 0 "[ . 1 . 2]" 1
156 1 13 GLU H 1 13 GLU HG2 . . 3.960 3.167 2.285 3.670 . 0 0 "[ . 1 . 2]" 1
157 1 13 GLU H 1 13 GLU HG3 . . 3.880 2.973 2.443 3.732 . 0 0 "[ . 1 . 2]" 1
158 1 13 GLU H 1 14 ALA H . . 3.360 2.507 2.393 2.613 . 0 0 "[ . 1 . 2]" 1
159 1 13 GLU H 1 14 ALA MB . . 5.170 4.255 4.148 4.440 . 0 0 "[ . 1 . 2]" 1
160 1 13 GLU H 1 16 GLU H . . 5.010 4.853 4.791 4.929 . 0 0 "[ . 1 . 2]" 1
161 1 13 GLU HA 1 13 GLU HG2 . . 3.500 2.535 2.303 2.988 . 0 0 "[ . 1 . 2]" 1
162 1 13 GLU HA 1 13 GLU HG3 . . 3.870 3.275 2.898 3.766 . 0 0 "[ . 1 . 2]" 1
163 1 13 GLU HA 1 16 GLU H . . 3.990 4.037 3.966 4.094 0.104 18 0 "[ . 1 . 2]" 1
164 1 13 GLU HA 1 16 GLU HG3 . . 4.880 4.690 4.570 4.876 . 0 0 "[ . 1 . 2]" 1
165 1 13 GLU HA 1 17 SER H . . 4.930 4.912 4.695 4.960 0.030 12 0 "[ . 1 . 2]" 1
166 1 13 GLU QB 1 13 GLU HG2 . . 2.720 2.393 2.351 2.448 . 0 0 "[ . 1 . 2]" 1
167 1 13 GLU QB 1 14 ALA H . . 3.440 3.016 2.785 3.240 . 0 0 "[ . 1 . 2]" 1
168 1 13 GLU QB 1 14 ALA HA . . 4.840 4.196 4.081 4.329 . 0 0 "[ . 1 . 2]" 1
169 1 13 GLU QB 1 14 ALA MB . . 4.610 3.750 3.637 3.823 . 0 0 "[ . 1 . 2]" 1
170 1 13 GLU HG2 1 14 ALA H . . 5.020 4.883 4.409 5.146 0.126 6 0 "[ . 1 . 2]" 1
171 1 13 GLU HG3 1 14 ALA H . . 5.060 4.844 4.586 5.193 0.133 14 0 "[ . 1 . 2]" 1
172 1 14 ALA H 1 14 ALA MB . . 3.310 2.341 2.284 2.425 . 0 0 "[ . 1 . 2]" 1
173 1 14 ALA H 1 15 ILE H . . 3.650 2.145 1.973 2.293 . 0 0 "[ . 1 . 2]" 1
174 1 14 ALA H 1 17 SER H . . 5.500 4.992 4.868 5.146 . 0 0 "[ . 1 . 2]" 1
175 1 14 ALA H 1 33 LEU MD1 . . 5.500 4.236 4.042 4.370 . 0 0 "[ . 1 . 2]" 1
176 1 14 ALA HA 1 16 GLU H . . 5.120 4.383 4.251 4.482 . 0 0 "[ . 1 . 2]" 1
177 1 14 ALA HA 1 17 SER HB2 . . 4.070 3.253 2.931 3.490 . 0 0 "[ . 1 . 2]" 1
178 1 14 ALA HA 1 18 PHE H . . 4.650 4.505 4.006 4.651 0.001 8 0 "[ . 1 . 2]" 1
179 1 14 ALA HA 1 33 LEU MD1 . . 5.030 3.921 3.764 4.007 . 0 0 "[ . 1 . 2]" 1
180 1 14 ALA HA 1 33 LEU MD2 . . 5.500 4.525 4.183 4.679 . 0 0 "[ . 1 . 2]" 1
181 1 14 ALA HA 1 40 ILE MD . . 3.920 3.642 2.084 3.950 0.030 17 0 "[ . 1 . 2]" 1
182 1 14 ALA HA 1 40 ILE HG12 . . 5.280 3.547 3.270 3.960 . 0 0 "[ . 1 . 2]" 1
183 1 14 ALA HA 1 40 ILE HG13 . . 4.520 2.981 2.709 3.292 . 0 0 "[ . 1 . 2]" 1
184 1 14 ALA MB 1 15 ILE H . . 3.990 2.894 2.733 3.040 . 0 0 "[ . 1 . 2]" 1
185 1 14 ALA MB 1 15 ILE HA . . 5.230 3.953 3.890 4.008 . 0 0 "[ . 1 . 2]" 1
186 1 14 ALA MB 1 15 ILE HG12 . . 5.180 4.561 4.437 4.829 . 0 0 "[ . 1 . 2]" 1
187 1 14 ALA MB 1 15 ILE HG13 . . 5.500 3.245 3.139 3.542 . 0 0 "[ . 1 . 2]" 1
188 1 14 ALA MB 1 18 PHE H . . 5.500 4.900 4.474 5.025 . 0 0 "[ . 1 . 2]" 1
189 1 14 ALA MB 1 33 LEU HB2 . . 5.500 4.468 4.241 4.606 . 0 0 "[ . 1 . 2]" 1
190 1 14 ALA MB 1 33 LEU MD1 . . 3.920 2.043 1.961 2.101 . 0 0 "[ . 1 . 2]" 1
191 1 14 ALA MB 1 33 LEU MD2 . . 3.940 2.512 2.136 2.679 . 0 0 "[ . 1 . 2]" 1
192 1 14 ALA MB 1 38 TRP HB2 . . 5.440 4.815 4.510 5.115 . 0 0 "[ . 1 . 2]" 1
193 1 14 ALA MB 1 38 TRP HE3 . . 2.940 2.357 2.137 2.582 . 0 0 "[ . 1 . 2]" 1
194 1 14 ALA MB 1 38 TRP HZ3 . . 3.380 3.003 2.764 3.310 . 0 0 "[ . 1 . 2]" 1
195 1 14 ALA MB 1 39 ASN HA . . 5.350 4.581 4.009 4.880 . 0 0 "[ . 1 . 2]" 1
196 1 14 ALA MB 1 40 ILE MD . . 4.230 3.144 2.817 3.262 . 0 0 "[ . 1 . 2]" 1
197 1 14 ALA MB 1 40 ILE HG12 . . 2.900 2.545 2.356 2.973 0.073 18 0 "[ . 1 . 2]" 1
198 1 14 ALA MB 1 40 ILE HG13 . . 4.240 3.070 2.320 3.354 . 0 0 "[ . 1 . 2]" 1
199 1 15 ILE H 1 15 ILE HB . . 3.230 2.248 2.212 2.279 . 0 0 "[ . 1 . 2]" 1
200 1 15 ILE H 1 15 ILE MD . . 4.520 3.514 3.480 3.570 . 0 0 "[ . 1 . 2]" 1
201 1 15 ILE H 1 15 ILE HG12 . . 3.960 3.878 3.801 3.917 . 0 0 "[ . 1 . 2]" 1
202 1 15 ILE H 1 15 ILE HG13 . . 4.470 2.589 2.502 2.640 . 0 0 "[ . 1 . 2]" 1
203 1 15 ILE H 1 15 ILE MG . . 4.610 3.688 3.667 3.706 . 0 0 "[ . 1 . 2]" 1
204 1 15 ILE H 1 33 LEU MD1 . . 4.730 3.620 3.249 3.741 . 0 0 "[ . 1 . 2]" 1
205 1 15 ILE H 1 38 TRP HZ3 . . 4.560 3.997 3.753 4.162 . 0 0 "[ . 1 . 2]" 1
206 1 15 ILE HA 1 15 ILE HG12 . . 4.030 2.491 2.415 2.521 . 0 0 "[ . 1 . 2]" 1
207 1 15 ILE HA 1 15 ILE HG13 . . 4.060 2.673 2.640 2.710 . 0 0 "[ . 1 . 2]" 1
208 1 15 ILE HA 1 18 PHE H . . 4.660 3.247 3.070 3.486 . 0 0 "[ . 1 . 2]" 1
209 1 15 ILE HA 1 18 PHE HB2 . . 4.260 3.017 2.788 3.585 . 0 0 "[ . 1 . 2]" 1
210 1 15 ILE HA 1 19 THR H . . 5.500 3.905 3.686 4.073 . 0 0 "[ . 1 . 2]" 1
211 1 15 ILE HA 1 29 SER HB2 . . 4.540 3.368 2.829 3.802 . 0 0 "[ . 1 . 2]" 1
212 1 15 ILE HA 1 33 LEU MD1 . . 3.730 2.767 2.413 2.920 . 0 0 "[ . 1 . 2]" 1
213 1 15 ILE HA 1 33 LEU MD2 . . 5.340 4.875 4.632 5.004 . 0 0 "[ . 1 . 2]" 1
214 1 15 ILE HA 1 40 ILE MD . . 5.500 3.881 3.635 4.569 . 0 0 "[ . 1 . 2]" 1
215 1 15 ILE HB 1 16 GLU H . . 3.800 2.990 2.920 3.050 . 0 0 "[ . 1 . 2]" 1
216 1 15 ILE HB 1 16 GLU HA . . 5.080 4.610 4.556 4.663 . 0 0 "[ . 1 . 2]" 1
217 1 15 ILE HB 1 16 GLU HG3 . . 5.220 3.911 3.592 5.260 0.040 19 0 "[ . 1 . 2]" 1
218 1 15 ILE HB 1 33 LEU MD1 . . 5.500 4.360 4.074 4.456 . 0 0 "[ . 1 . 2]" 1
219 1 15 ILE MD 1 16 GLU H . . 5.500 4.836 4.760 4.883 . 0 0 "[ . 1 . 2]" 1
220 1 15 ILE MD 1 26 PRO HA . . 5.500 4.817 4.576 5.008 . 0 0 "[ . 1 . 2]" 1
221 1 15 ILE MD 1 30 ARG H . . 5.470 3.429 3.221 3.679 . 0 0 "[ . 1 . 2]" 1
222 1 15 ILE MD 1 30 ARG HA . . 4.290 2.676 2.508 2.845 . 0 0 "[ . 1 . 2]" 1
223 1 15 ILE MD 1 30 ARG HB3 . . 4.560 3.635 3.517 3.786 . 0 0 "[ . 1 . 2]" 1
224 1 15 ILE MD 1 30 ARG HD2 . . 4.900 4.401 4.184 4.623 . 0 0 "[ . 1 . 2]" 1
225 1 15 ILE MD 1 30 ARG HD3 . . 5.130 4.004 3.050 4.954 . 0 0 "[ . 1 . 2]" 1
226 1 15 ILE MD 1 30 ARG HG2 . . 5.140 4.313 3.518 4.611 . 0 0 "[ . 1 . 2]" 1
227 1 15 ILE MD 1 30 ARG HG3 . . 4.710 3.123 2.081 3.538 . 0 0 "[ . 1 . 2]" 1
228 1 15 ILE MD 1 33 LEU MD1 . . 5.490 3.412 3.333 3.646 . 0 0 "[ . 1 . 2]" 1
229 1 15 ILE MD 1 38 TRP HH2 . . 3.400 2.332 2.213 2.387 . 0 0 "[ . 1 . 2]" 1
230 1 15 ILE MD 1 38 TRP HZ2 . . 4.620 4.590 4.435 4.665 0.045 20 0 "[ . 1 . 2]" 1
231 1 15 ILE MD 1 38 TRP HZ3 . . 3.670 2.549 2.370 2.781 . 0 0 "[ . 1 . 2]" 1
232 1 15 ILE HG12 1 30 ARG HA . . 5.240 3.132 2.895 3.326 . 0 0 "[ . 1 . 2]" 1
233 1 15 ILE HG12 1 33 LEU MD1 . . 4.360 2.631 2.366 2.822 . 0 0 "[ . 1 . 2]" 1
234 1 15 ILE HG12 1 38 TRP HH2 . . 4.240 4.160 3.800 4.259 0.019 20 0 "[ . 1 . 2]" 1
235 1 15 ILE HG12 1 38 TRP HZ3 . . 3.480 3.461 3.373 3.497 0.017 12 0 "[ . 1 . 2]" 1
236 1 15 ILE HG13 1 30 ARG H . . 5.140 4.823 4.569 5.142 0.002 20 0 "[ . 1 . 2]" 1
237 1 15 ILE HG13 1 33 LEU MD1 . . 5.150 2.456 2.276 2.553 . 0 0 "[ . 1 . 2]" 1
238 1 15 ILE HG13 1 33 LEU MD2 . . 5.310 4.877 4.596 5.051 . 0 0 "[ . 1 . 2]" 1
239 1 15 ILE HG13 1 38 TRP HZ3 . . 3.630 2.194 2.103 2.303 . 0 0 "[ . 1 . 2]" 1
240 1 15 ILE MG 1 16 GLU H . . 4.320 3.408 3.336 3.487 . 0 0 "[ . 1 . 2]" 1
241 1 15 ILE MG 1 16 GLU HA . . 4.300 3.248 3.129 3.332 . 0 0 "[ . 1 . 2]" 1
242 1 15 ILE MG 1 16 GLU HG2 . . 5.500 3.918 3.352 4.266 . 0 0 "[ . 1 . 2]" 1
243 1 15 ILE MG 1 16 GLU HG3 . . 5.460 3.728 3.393 4.958 . 0 0 "[ . 1 . 2]" 1
244 1 15 ILE MG 1 17 SER H . . 5.500 4.910 4.717 5.003 . 0 0 "[ . 1 . 2]" 1
245 1 15 ILE MG 1 18 PHE HB2 . . 5.300 4.719 4.431 5.310 0.010 18 0 "[ . 1 . 2]" 1
246 1 15 ILE MG 1 19 THR H . . 5.500 3.873 3.700 4.060 . 0 0 "[ . 1 . 2]" 1
247 1 15 ILE MG 1 19 THR HB . . 5.500 4.337 4.134 4.511 . 0 0 "[ . 1 . 2]" 1
248 1 15 ILE MG 1 19 THR MG . . 4.920 4.135 3.983 4.315 . 0 0 "[ . 1 . 2]" 1
249 1 15 ILE MG 1 26 PRO HA . . 4.020 2.640 2.504 2.761 . 0 0 "[ . 1 . 2]" 1
250 1 15 ILE MG 1 26 PRO HB2 . . 3.950 3.361 3.182 3.596 . 0 0 "[ . 1 . 2]" 1
251 1 15 ILE MG 1 26 PRO HB3 . . 4.650 2.248 2.119 2.417 . 0 0 "[ . 1 . 2]" 1
252 1 15 ILE MG 1 26 PRO HG2 . . 5.500 4.386 4.262 4.539 . 0 0 "[ . 1 . 2]" 1
253 1 15 ILE MG 1 26 PRO HG3 . . 5.330 3.823 3.676 3.938 . 0 0 "[ . 1 . 2]" 1
254 1 15 ILE MG 1 29 SER H . . 5.470 3.939 3.750 4.109 . 0 0 "[ . 1 . 2]" 1
255 1 15 ILE MG 1 29 SER HB2 . . 3.660 2.484 2.005 3.447 . 0 0 "[ . 1 . 2]" 1
256 1 15 ILE MG 1 29 SER HB3 . . 4.180 2.735 2.053 3.417 . 0 0 "[ . 1 . 2]" 1
257 1 15 ILE MG 1 30 ARG H . . 4.790 3.782 3.574 4.104 . 0 0 "[ . 1 . 2]" 1
258 1 15 ILE MG 1 33 LEU MD1 . . 4.760 4.007 3.742 4.080 . 0 0 "[ . 1 . 2]" 1
259 1 16 GLU H 1 16 GLU HB2 . . 3.380 2.353 2.323 2.411 . 0 0 "[ . 1 . 2]" 1
260 1 16 GLU H 1 16 GLU HB3 . . 3.710 3.588 3.576 3.614 . 0 0 "[ . 1 . 2]" 1
261 1 16 GLU H 1 16 GLU HG2 . . 3.980 3.549 2.438 3.725 . 0 0 "[ . 1 . 2]" 1
262 1 16 GLU H 1 16 GLU HG3 . . 3.940 2.607 2.435 3.654 . 0 0 "[ . 1 . 2]" 1
263 1 16 GLU H 1 17 SER H . . 3.250 2.623 2.573 2.680 . 0 0 "[ . 1 . 2]" 1
264 1 16 GLU H 1 18 PHE H . . 4.370 3.945 3.889 3.975 . 0 0 "[ . 1 . 2]" 1
265 1 16 GLU H 1 19 THR H . . 5.110 4.913 4.845 4.977 . 0 0 "[ . 1 . 2]" 1
266 1 16 GLU HA 1 16 GLU HG2 . . 3.680 2.422 2.303 2.822 . 0 0 "[ . 1 . 2]" 1
267 1 16 GLU HA 1 16 GLU HG3 . . 4.010 2.977 2.826 3.694 . 0 0 "[ . 1 . 2]" 1
268 1 16 GLU HA 1 19 THR H . . 4.220 3.666 3.528 3.964 . 0 0 "[ . 1 . 2]" 1
269 1 16 GLU HA 1 19 THR HB . . 3.470 3.386 3.165 3.493 0.023 20 0 "[ . 1 . 2]" 1
270 1 16 GLU HA 1 19 THR MG . . 4.790 4.666 4.502 4.746 . 0 0 "[ . 1 . 2]" 1
271 1 16 GLU HA 1 20 SER H . . 4.650 4.646 4.493 4.673 0.023 13 0 "[ . 1 . 2]" 1
272 1 16 GLU HB2 1 17 SER H . . 3.660 2.996 2.834 3.272 . 0 0 "[ . 1 . 2]" 1
273 1 16 GLU HB3 1 17 SER H . . 4.050 3.818 3.662 4.055 0.005 1 0 "[ . 1 . 2]" 1
274 1 16 GLU HB3 1 17 SER HA . . 5.120 4.471 4.353 4.670 . 0 0 "[ . 1 . 2]" 1
275 1 16 GLU HG2 1 17 SER H . . 5.260 5.128 4.621 5.250 . 0 0 "[ . 1 . 2]" 1
276 1 16 GLU HG3 1 17 SER H . . 5.330 4.712 4.610 5.326 . 0 0 "[ . 1 . 2]" 1
277 1 17 SER H 1 17 SER HB2 . . 3.650 2.311 2.258 2.335 . 0 0 "[ . 1 . 2]" 1
278 1 17 SER H 1 17 SER HB3 . . 3.370 3.530 3.516 3.551 0.181 1 0 "[ . 1 . 2]" 1
279 1 17 SER H 1 18 PHE H . . 3.660 2.405 2.230 2.496 . 0 0 "[ . 1 . 2]" 1
280 1 17 SER H 1 18 PHE HA . . 5.500 5.053 4.902 5.123 . 0 0 "[ . 1 . 2]" 1
281 1 17 SER H 1 18 PHE HB2 . . 5.500 4.503 4.341 4.663 . 0 0 "[ . 1 . 2]" 1
282 1 17 SER H 1 18 PHE HB3 . . 5.500 4.672 4.414 4.810 . 0 0 "[ . 1 . 2]" 1
283 1 17 SER H 1 19 THR H . . 5.500 4.184 3.990 4.309 . 0 0 "[ . 1 . 2]" 1
284 1 17 SER HA 1 20 SER H . . 4.430 3.259 3.068 3.325 . 0 0 "[ . 1 . 2]" 1
285 1 17 SER HA 1 20 SER HB3 . . 3.680 3.758 3.714 3.783 0.103 13 0 "[ . 1 . 2]" 1
286 1 17 SER HA 1 21 LEU H . . 4.960 4.590 4.156 4.783 . 0 0 "[ . 1 . 2]" 1
287 1 17 SER HA 1 21 LEU QD . . 5.500 4.359 4.201 4.643 . 0 0 "[ . 1 . 2]" 1
288 1 17 SER HA 1 21 LEU HG . . 5.130 4.292 4.130 4.564 . 0 0 "[ . 1 . 2]" 1
289 1 17 SER HB2 1 18 PHE H . . 3.930 3.039 2.986 3.154 . 0 0 "[ . 1 . 2]" 1
290 1 17 SER HB2 1 21 LEU QD . . 5.480 4.692 4.445 5.108 . 0 0 "[ . 1 . 2]" 1
291 1 17 SER HB2 1 40 ILE MD . . 4.040 3.324 2.007 3.674 . 0 0 "[ . 1 . 2]" 1
292 1 17 SER HB2 1 40 ILE HG13 . . 5.140 3.063 2.626 4.489 . 0 0 "[ . 1 . 2]" 1
293 1 17 SER HB2 1 40 ILE MG . . 5.310 3.560 3.250 4.285 . 0 0 "[ . 1 . 2]" 1
294 1 17 SER HB3 1 18 PHE H . . 3.950 3.969 3.949 3.988 0.038 18 0 "[ . 1 . 2]" 1
295 1 17 SER HB3 1 40 ILE MD . . 4.190 3.915 2.518 4.193 0.003 1 0 "[ . 1 . 2]" 1
296 1 18 PHE H 1 18 PHE HB2 . . 3.580 2.401 2.340 2.579 . 0 0 "[ . 1 . 2]" 1
297 1 18 PHE H 1 18 PHE HB3 . . 3.420 2.471 2.362 2.539 . 0 0 "[ . 1 . 2]" 1
298 1 18 PHE H 1 18 PHE QD . . 5.310 4.187 4.171 4.207 . 0 0 "[ . 1 . 2]" 1
299 1 18 PHE H 1 33 LEU MD1 . . 4.960 4.360 3.940 4.596 . 0 0 "[ . 1 . 2]" 1
300 1 18 PHE H 1 40 ILE MD . . 4.440 3.076 2.630 3.240 . 0 0 "[ . 1 . 2]" 1
301 1 18 PHE H 1 40 ILE HG13 . . 5.500 4.152 3.852 5.007 . 0 0 "[ . 1 . 2]" 1
302 1 18 PHE H 1 40 ILE MG . . 5.500 4.529 4.302 4.630 . 0 0 "[ . 1 . 2]" 1
303 1 18 PHE HA 1 18 PHE QD . . 4.240 3.206 3.189 3.215 . 0 0 "[ . 1 . 2]" 1
304 1 18 PHE HA 1 21 LEU H . . 4.530 3.585 3.472 3.684 . 0 0 "[ . 1 . 2]" 1
305 1 18 PHE HA 1 21 LEU HB2 . . 4.120 3.268 3.131 3.368 . 0 0 "[ . 1 . 2]" 1
306 1 18 PHE HA 1 21 LEU HB3 . . 5.250 4.974 4.828 5.076 . 0 0 "[ . 1 . 2]" 1
307 1 18 PHE HA 1 21 LEU QD . . 4.310 3.605 3.309 3.795 . 0 0 "[ . 1 . 2]" 1
308 1 18 PHE HA 1 21 LEU HG . . 5.280 4.597 4.258 4.753 . 0 0 "[ . 1 . 2]" 1
309 1 18 PHE HA 1 22 THR H . . 5.500 4.310 4.078 4.473 . 0 0 "[ . 1 . 2]" 1
310 1 18 PHE HA 1 22 THR MG . . 4.880 4.129 3.821 4.696 . 0 0 "[ . 1 . 2]" 1
311 1 18 PHE HA 1 33 LEU MD2 . . 5.420 5.408 5.012 5.739 0.319 8 0 "[ . 1 . 2]" 1
312 1 18 PHE HA 1 40 ILE MD . . 4.580 2.441 2.206 2.630 . 0 0 "[ . 1 . 2]" 1
313 1 18 PHE HA 1 40 ILE HG13 . . 5.500 4.541 4.180 5.074 . 0 0 "[ . 1 . 2]" 1
314 1 18 PHE HA 1 40 ILE MG . . 5.500 3.422 2.634 3.681 . 0 0 "[ . 1 . 2]" 1
315 1 18 PHE HA 1 44 LEU QD . . 4.820 2.353 2.156 2.712 . 0 0 "[ . 1 . 2]" 1
316 1 18 PHE HB2 1 19 THR H . . 3.490 3.616 3.565 3.718 0.228 7 0 "[ . 1 . 2]" 1
317 1 18 PHE HB2 1 29 SER HB2 . . 4.910 4.420 3.564 5.016 0.106 11 0 "[ . 1 . 2]" 1
318 1 18 PHE HB2 1 29 SER HB3 . . 4.300 3.644 3.030 4.382 0.082 2 0 "[ . 1 . 2]" 1
319 1 18 PHE HB2 1 33 LEU MD1 . . 4.640 2.863 2.445 3.119 . 0 0 "[ . 1 . 2]" 1
320 1 18 PHE HB2 1 33 LEU MD2 . . 5.080 3.849 3.237 4.204 . 0 0 "[ . 1 . 2]" 1
321 1 18 PHE HB2 1 40 ILE MD . . 5.160 1.980 1.836 2.741 . 0 0 "[ . 1 . 2]" 1
322 1 18 PHE HB3 1 19 THR H . . 4.970 2.347 2.292 2.405 . 0 0 "[ . 1 . 2]" 1
323 1 18 PHE HB3 1 33 LEU MD1 . . 4.500 3.640 3.054 3.968 . 0 0 "[ . 1 . 2]" 1
324 1 18 PHE HB3 1 33 LEU MD2 . . 4.970 5.096 4.392 5.464 0.494 8 0 "[ . 1 . 2]" 1
325 1 18 PHE HB3 1 40 ILE MD . . 4.550 3.374 3.279 3.792 . 0 0 "[ . 1 . 2]" 1
326 1 18 PHE HB3 1 40 ILE HG13 . . 5.100 5.290 5.254 5.335 0.235 7 0 "[ . 1 . 2]" 1
327 1 18 PHE HB3 1 40 ILE MG . . 5.410 5.310 4.493 5.463 0.053 20 0 "[ . 1 . 2]" 1
328 1 18 PHE QD 1 19 THR H . . 4.300 3.403 3.093 3.519 . 0 0 "[ . 1 . 2]" 1
329 1 18 PHE QD 1 19 THR HA . . 4.100 3.070 2.915 3.159 . 0 0 "[ . 1 . 2]" 1
330 1 18 PHE QD 1 21 LEU QD . . 5.500 5.346 5.006 5.499 . 0 0 "[ . 1 . 2]" 1
331 1 18 PHE QD 1 22 THR MG . . 4.200 3.764 3.274 4.208 0.008 11 0 "[ . 1 . 2]" 1
332 1 18 PHE QD 1 29 SER HA . . 3.710 3.532 3.363 3.648 . 0 0 "[ . 1 . 2]" 1
333 1 18 PHE QD 1 29 SER HB2 . . 5.010 3.614 2.436 4.455 . 0 0 "[ . 1 . 2]" 1
334 1 18 PHE QD 1 29 SER HB3 . . 3.940 3.385 2.505 4.040 0.100 6 0 "[ . 1 . 2]" 1
335 1 18 PHE QD 1 33 LEU MD1 . . 4.540 2.970 2.601 3.344 . 0 0 "[ . 1 . 2]" 1
336 1 18 PHE QD 1 33 LEU MD2 . . 3.950 2.779 2.524 3.169 . 0 0 "[ . 1 . 2]" 1
337 1 18 PHE QD 1 33 LEU HG . . 4.030 3.017 2.466 3.486 . 0 0 "[ . 1 . 2]" 1
338 1 18 PHE QD 1 40 ILE HA . . 5.320 3.595 2.529 3.840 . 0 0 "[ . 1 . 2]" 1
339 1 18 PHE QD 1 40 ILE MD . . 4.090 2.098 1.791 3.788 . 0 0 "[ . 1 . 2]" 1
340 1 18 PHE QD 1 40 ILE HG12 . . 3.840 3.744 2.459 3.993 0.153 8 0 "[ . 1 . 2]" 1
341 1 18 PHE QD 1 40 ILE HG13 . . 5.500 4.312 4.069 4.394 . 0 0 "[ . 1 . 2]" 1
342 1 18 PHE QD 1 40 ILE MG . . 4.190 3.770 2.621 4.051 . 0 0 "[ . 1 . 2]" 1
343 1 18 PHE QD 1 43 ALA MB . . 3.370 2.916 2.704 3.100 . 0 0 "[ . 1 . 2]" 1
344 1 18 PHE QD 1 44 LEU H . . 5.500 4.829 4.236 5.046 . 0 0 "[ . 1 . 2]" 1
345 1 18 PHE QD 1 44 LEU QD . . 3.940 3.039 2.913 3.146 . 0 0 "[ . 1 . 2]" 1
346 1 18 PHE QD 1 44 LEU HG . . 3.800 3.692 3.033 3.836 0.036 14 0 "[ . 1 . 2]" 1
347 1 18 PHE QE 1 22 THR MG . . 3.990 3.140 2.556 3.537 . 0 0 "[ . 1 . 2]" 1
348 1 18 PHE QE 1 29 SER HA . . 3.740 3.349 3.039 3.645 . 0 0 "[ . 1 . 2]" 1
349 1 18 PHE QE 1 32 TYR HB3 . . 4.580 2.706 2.413 3.279 . 0 0 "[ . 1 . 2]" 1
350 1 18 PHE QE 1 33 LEU MD2 . . 4.420 3.816 3.587 4.123 . 0 0 "[ . 1 . 2]" 1
351 1 18 PHE QE 1 43 ALA MB . . 3.350 2.208 2.060 2.320 . 0 0 "[ . 1 . 2]" 1
352 1 18 PHE QE 1 44 LEU H . . 4.300 4.132 3.311 4.314 0.014 9 0 "[ . 1 . 2]" 1
353 1 18 PHE QE 1 44 LEU HA . . 3.850 3.290 2.821 3.475 . 0 0 "[ . 1 . 2]" 1
354 1 18 PHE QE 1 44 LEU QD . . 3.940 2.963 2.728 3.158 . 0 0 "[ . 1 . 2]" 1
355 1 18 PHE QE 1 44 LEU HG . . 4.220 3.968 3.164 4.222 0.002 5 0 "[ . 1 . 2]" 1
356 1 18 PHE QE 1 47 TYR HB2 . . 5.100 3.502 3.426 3.631 . 0 0 "[ . 1 . 2]" 1
357 1 18 PHE QE 1 47 TYR HB3 . . 4.110 4.105 4.075 4.132 0.022 18 0 "[ . 1 . 2]" 1
358 1 18 PHE QE 1 47 TYR QD . . 4.390 3.567 3.293 3.823 . 0 0 "[ . 1 . 2]" 1
359 1 18 PHE HZ 1 22 THR MG . . 4.110 3.824 3.449 4.126 0.016 17 0 "[ . 1 . 2]" 1
360 1 18 PHE HZ 1 43 ALA MB . . 4.320 4.250 3.820 4.350 0.030 16 0 "[ . 1 . 2]" 1
361 1 18 PHE HZ 1 44 LEU HA . . 4.260 3.708 3.295 3.935 . 0 0 "[ . 1 . 2]" 1
362 1 18 PHE HZ 1 44 LEU QD . . 5.460 3.386 3.068 3.656 . 0 0 "[ . 1 . 2]" 1
363 1 18 PHE HZ 1 47 TYR H . . 5.420 4.385 4.126 4.605 . 0 0 "[ . 1 . 2]" 1
364 1 18 PHE HZ 1 47 TYR HB2 . . 3.820 2.204 2.077 2.294 . 0 0 "[ . 1 . 2]" 1
365 1 18 PHE HZ 1 47 TYR HB3 . . 3.260 3.288 3.218 3.311 0.051 13 0 "[ . 1 . 2]" 1
366 1 18 PHE HZ 1 47 TYR QD . . 3.800 2.951 2.685 3.335 . 0 0 "[ . 1 . 2]" 1
367 1 19 THR H 1 19 THR HB . . 3.520 2.813 2.762 2.851 . 0 0 "[ . 1 . 2]" 1
368 1 19 THR H 1 19 THR MG . . 4.390 3.706 3.670 3.742 . 0 0 "[ . 1 . 2]" 1
369 1 19 THR H 1 20 SER H . . 3.870 2.613 2.569 2.639 . 0 0 "[ . 1 . 2]" 1
370 1 19 THR H 1 21 LEU H . . 5.480 4.185 4.133 4.346 . 0 0 "[ . 1 . 2]" 1
371 1 19 THR H 1 29 SER HB2 . . 5.170 4.548 4.031 4.943 . 0 0 "[ . 1 . 2]" 1
372 1 19 THR H 1 29 SER HB3 . . 5.070 4.360 3.742 4.917 . 0 0 "[ . 1 . 2]" 1
373 1 19 THR HA 1 19 THR MG . . 3.430 2.235 2.221 2.247 . 0 0 "[ . 1 . 2]" 1
374 1 19 THR HA 1 22 THR H . . 4.690 3.143 2.870 3.379 . 0 0 "[ . 1 . 2]" 1
375 1 19 THR HA 1 22 THR MG . . 5.290 4.671 4.494 5.013 . 0 0 "[ . 1 . 2]" 1
376 1 19 THR HA 1 23 LYS H . . 5.220 5.300 5.257 5.360 0.140 18 0 "[ . 1 . 2]" 1
377 1 19 THR HA 1 24 CYS H . . 3.980 4.000 3.844 4.040 0.060 6 0 "[ . 1 . 2]" 1
378 1 19 THR HB 1 20 SER H . . 3.400 3.384 3.235 3.419 0.019 20 0 "[ . 1 . 2]" 1
379 1 19 THR HB 1 20 SER HA . . 4.030 4.215 4.191 4.236 0.206 7 0 "[ . 1 . 2]" 1
380 1 19 THR MG 1 20 SER H . . 4.470 4.295 4.181 4.335 . 0 0 "[ . 1 . 2]" 1
381 1 19 THR MG 1 20 SER HA . . 4.500 4.387 4.198 4.504 0.004 20 0 "[ . 1 . 2]" 1
382 1 19 THR MG 1 23 LYS H . . 5.380 5.317 5.117 5.392 0.012 3 0 "[ . 1 . 2]" 1
383 1 19 THR MG 1 24 CYS H . . 4.790 3.785 3.473 3.969 . 0 0 "[ . 1 . 2]" 1
384 1 19 THR MG 1 24 CYS HA . . 5.400 4.874 4.690 4.999 . 0 0 "[ . 1 . 2]" 1
385 1 19 THR MG 1 25 ASP H . . 5.420 4.760 4.623 4.831 . 0 0 "[ . 1 . 2]" 1
386 1 19 THR MG 1 25 ASP HA . . 4.650 3.513 3.441 3.603 . 0 0 "[ . 1 . 2]" 1
387 1 19 THR MG 1 25 ASP HB2 . . 5.500 5.549 5.524 5.564 0.064 2 0 "[ . 1 . 2]" 1
388 1 19 THR MG 1 26 PRO HA . . 4.450 3.175 3.048 3.354 . 0 0 "[ . 1 . 2]" 1
389 1 19 THR MG 1 26 PRO HB2 . . 4.760 4.790 4.766 4.810 0.050 1 0 "[ . 1 . 2]" 1
390 1 19 THR MG 1 26 PRO HB3 . . 5.370 4.074 4.003 4.171 . 0 0 "[ . 1 . 2]" 1
391 1 19 THR MG 1 26 PRO HD2 . . 4.750 4.338 4.229 4.395 . 0 0 "[ . 1 . 2]" 1
392 1 19 THR MG 1 26 PRO HD3 . . 5.010 3.093 2.925 3.189 . 0 0 "[ . 1 . 2]" 1
393 1 19 THR MG 1 26 PRO HG3 . . 4.260 2.334 2.244 2.432 . 0 0 "[ . 1 . 2]" 1
394 1 19 THR MG 1 29 SER HB2 . . 5.170 4.938 4.717 5.106 . 0 0 "[ . 1 . 2]" 1
395 1 19 THR MG 1 29 SER HB3 . . 5.340 5.304 5.024 5.366 0.026 20 0 "[ . 1 . 2]" 1
396 1 20 SER H 1 20 SER HB2 . . 3.480 2.331 2.301 2.349 . 0 0 "[ . 1 . 2]" 1
397 1 20 SER H 1 20 SER HB3 . . 3.650 3.604 3.588 3.616 . 0 0 "[ . 1 . 2]" 1
398 1 20 SER H 1 21 LEU H . . 3.710 2.260 2.184 2.405 . 0 0 "[ . 1 . 2]" 1
399 1 20 SER HA 1 20 SER HB2 . . 2.830 3.018 3.014 3.024 0.194 17 0 "[ . 1 . 2]" 1
400 1 20 SER HA 1 23 LYS HD2 . . 4.690 4.699 4.585 4.776 0.086 12 0 "[ . 1 . 2]" 1
401 1 20 SER HA 1 23 LYS HD3 . . 5.150 4.882 3.919 5.223 0.073 9 0 "[ . 1 . 2]" 1
402 1 20 SER HB2 1 21 LEU H . . 3.850 3.028 2.690 3.138 . 0 0 "[ . 1 . 2]" 1
403 1 20 SER HB2 1 21 LEU HB2 . . 5.160 4.501 4.464 4.569 . 0 0 "[ . 1 . 2]" 1
404 1 20 SER HB2 1 21 LEU HB3 . . 5.500 5.615 5.591 5.640 0.140 1 0 "[ . 1 . 2]" 1
405 1 20 SER HB2 1 21 LEU QD . . 5.210 3.732 3.654 3.819 . 0 0 "[ . 1 . 2]" 1
406 1 20 SER HB2 1 21 LEU HG . . 5.320 2.967 2.893 3.067 . 0 0 "[ . 1 . 2]" 1
407 1 20 SER HB3 1 21 LEU H . . 3.980 3.920 3.614 4.000 0.020 2 0 "[ . 1 . 2]" 1
408 1 20 SER HB3 1 21 LEU QD . . 5.500 3.838 3.755 3.909 . 0 0 "[ . 1 . 2]" 1
409 1 20 SER HB3 1 21 LEU HG . . 5.330 3.614 3.532 3.710 . 0 0 "[ . 1 . 2]" 1
410 1 21 LEU H 1 21 LEU HB2 . . 3.310 2.399 2.317 2.462 . 0 0 "[ . 1 . 2]" 1
411 1 21 LEU H 1 21 LEU HB3 . . 3.900 3.627 3.566 3.668 . 0 0 "[ . 1 . 2]" 1
412 1 21 LEU H 1 21 LEU QD . . 4.660 3.426 3.290 3.495 . 0 0 "[ . 1 . 2]" 1
413 1 21 LEU H 1 21 LEU HG . . 3.800 2.873 2.634 2.990 . 0 0 "[ . 1 . 2]" 1
414 1 21 LEU H 1 22 THR MG . . 5.030 3.958 3.783 4.174 . 0 0 "[ . 1 . 2]" 1
415 1 21 LEU H 1 44 LEU QD . . 5.500 3.925 3.783 4.032 . 0 0 "[ . 1 . 2]" 1
416 1 21 LEU HA 1 21 LEU HG . . 3.830 2.961 2.915 3.001 . 0 0 "[ . 1 . 2]" 1
417 1 21 LEU HA 1 22 THR MG . . 5.500 4.385 4.322 4.420 . 0 0 "[ . 1 . 2]" 1
418 1 21 LEU HB2 1 22 THR H . . 4.070 3.173 2.972 3.336 . 0 0 "[ . 1 . 2]" 1
419 1 21 LEU HB2 1 22 THR HA . . 5.140 5.010 4.952 5.078 . 0 0 "[ . 1 . 2]" 1
420 1 21 LEU HB2 1 22 THR MG . . 4.390 3.160 3.086 3.219 . 0 0 "[ . 1 . 2]" 1
421 1 21 LEU HB2 1 44 LEU QD . . 4.450 2.503 2.362 2.591 . 0 0 "[ . 1 . 2]" 1
422 1 21 LEU HB3 1 22 THR H . . 4.390 4.001 3.845 4.089 . 0 0 "[ . 1 . 2]" 1
423 1 21 LEU HB3 1 22 THR HA . . 4.740 4.866 4.849 4.883 0.143 2 0 "[ . 1 . 2]" 1
424 1 21 LEU HB3 1 22 THR MG . . 4.620 3.430 3.316 3.563 . 0 0 "[ . 1 . 2]" 1
425 1 21 LEU HB3 1 44 LEU QD . . 4.270 2.828 2.638 2.939 . 0 0 "[ . 1 . 2]" 1
426 1 21 LEU QD 1 22 THR H . . 5.500 4.327 4.266 4.364 . 0 0 "[ . 1 . 2]" 1
427 1 21 LEU QD 1 22 THR MG . . 5.310 4.121 4.064 4.199 . 0 0 "[ . 1 . 2]" 1
428 1 21 LEU QD 1 40 ILE MG . . 3.780 2.810 2.388 3.055 . 0 0 "[ . 1 . 2]" 1
429 1 21 LEU QD 1 44 LEU QD . . 4.180 1.975 1.925 2.039 . 0 0 "[ . 1 . 2]" 1
430 1 21 LEU QD 1 48 TYR QE . . 5.380 4.551 4.269 4.897 . 0 0 "[ . 1 . 2]" 1
431 1 21 LEU HG 1 22 THR H . . 5.290 4.579 4.530 4.624 . 0 0 "[ . 1 . 2]" 1
432 1 21 LEU HG 1 22 THR MG . . 5.500 5.315 5.247 5.372 . 0 0 "[ . 1 . 2]" 1
433 1 22 THR H 1 22 THR MG . . 3.890 2.873 2.802 3.000 . 0 0 "[ . 1 . 2]" 1
434 1 22 THR H 1 23 LYS HA . . 5.100 4.645 4.504 4.718 . 0 0 "[ . 1 . 2]" 1
435 1 22 THR HA 1 22 THR MG . . 3.530 2.416 2.347 2.452 . 0 0 "[ . 1 . 2]" 1
436 1 22 THR HA 1 47 TYR QE . . 5.160 4.324 3.780 5.088 . 0 0 "[ . 1 . 2]" 1
437 1 22 THR HB 1 24 CYS H . . 4.560 2.998 2.850 3.173 . 0 0 "[ . 1 . 2]" 1
438 1 22 THR HB 1 24 CYS HB3 . . 4.880 4.046 3.839 4.284 . 0 0 "[ . 1 . 2]" 1
439 1 22 THR HB 1 47 TYR QD . . 4.510 4.059 3.852 4.417 . 0 0 "[ . 1 . 2]" 1
440 1 22 THR HB 1 47 TYR QE . . 3.360 2.967 2.783 3.366 0.006 20 0 "[ . 1 . 2]" 1
441 1 22 THR MG 1 23 LYS H . . 5.410 3.911 3.807 4.028 . 0 0 "[ . 1 . 2]" 1
442 1 22 THR MG 1 24 CYS H . . 5.500 4.457 4.277 4.573 . 0 0 "[ . 1 . 2]" 1
443 1 22 THR MG 1 40 ILE MG . . 5.500 5.263 4.830 5.440 . 0 0 "[ . 1 . 2]" 1
444 1 22 THR MG 1 44 LEU HA . . 5.500 3.806 3.551 4.063 . 0 0 "[ . 1 . 2]" 1
445 1 22 THR MG 1 44 LEU QD . . 3.920 2.089 1.952 2.251 . 0 0 "[ . 1 . 2]" 1
446 1 22 THR MG 1 47 TYR QD . . 3.490 2.657 2.524 2.950 . 0 0 "[ . 1 . 2]" 1
447 1 22 THR MG 1 47 TYR QE . . 3.400 2.935 2.808 3.250 . 0 0 "[ . 1 . 2]" 1
448 1 22 THR MG 1 48 TYR QD . . 4.060 4.035 3.907 4.079 0.019 20 0 "[ . 1 . 2]" 1
449 1 22 THR MG 1 48 TYR QE . . 3.280 2.386 2.229 2.560 . 0 0 "[ . 1 . 2]" 1
450 1 23 LYS H 1 23 LYS HD2 . . 4.830 4.076 3.581 4.702 . 0 0 "[ . 1 . 2]" 1
451 1 23 LYS H 1 23 LYS HD3 . . 5.390 4.457 3.246 5.170 . 0 0 "[ . 1 . 2]" 1
452 1 23 LYS H 1 23 LYS HG2 . . 4.610 2.737 2.335 3.092 . 0 0 "[ . 1 . 2]" 1
453 1 23 LYS H 1 23 LYS HG3 . . 4.580 4.095 3.805 4.331 . 0 0 "[ . 1 . 2]" 1
454 1 23 LYS H 1 24 CYS H . . 3.860 2.644 2.383 2.935 . 0 0 "[ . 1 . 2]" 1
455 1 23 LYS H 1 24 CYS HA . . 4.960 4.753 4.505 5.001 0.041 11 0 "[ . 1 . 2]" 1
456 1 23 LYS HA 1 23 LYS HD2 . . 4.310 2.226 2.011 2.655 . 0 0 "[ . 1 . 2]" 1
457 1 23 LYS HA 1 23 LYS HD3 . . 4.500 3.203 2.149 3.654 . 0 0 "[ . 1 . 2]" 1
458 1 23 LYS HA 1 23 LYS HG2 . . 4.200 3.170 3.031 3.309 . 0 0 "[ . 1 . 2]" 1
459 1 23 LYS HA 1 23 LYS HG3 . . 3.810 3.715 3.699 3.730 . 0 0 "[ . 1 . 2]" 1
460 1 23 LYS HA 1 24 CYS HA . . 5.060 4.636 4.587 4.715 . 0 0 "[ . 1 . 2]" 1
461 1 23 LYS HB2 1 24 CYS H . . 5.500 4.132 4.079 4.182 . 0 0 "[ . 1 . 2]" 1
462 1 24 CYS H 1 24 CYS HB2 . . 4.140 3.152 2.408 3.627 . 0 0 "[ . 1 . 2]" 1
463 1 24 CYS H 1 24 CYS HB3 . . 3.880 2.637 2.549 2.766 . 0 0 "[ . 1 . 2]" 1
464 1 24 CYS H 1 25 ASP H . . 5.500 4.543 4.449 4.615 . 0 0 "[ . 1 . 2]" 1
465 1 24 CYS HA 1 25 ASP H . . 3.110 2.662 2.607 2.730 . 0 0 "[ . 1 . 2]" 1
466 1 24 CYS HB2 1 25 ASP H . . 3.570 2.823 2.176 3.711 0.141 16 0 "[ . 1 . 2]" 1
467 1 24 CYS HB2 1 28 VAL HB . . 4.570 3.546 2.648 4.581 0.011 20 0 "[ . 1 . 2]" 1
468 1 24 CYS HB2 1 28 VAL QG . . 4.630 3.136 2.405 4.026 . 0 0 "[ . 1 . 2]" 1
469 1 24 CYS HB2 1 47 TYR QE . . 4.100 3.419 2.820 4.023 . 0 0 "[ . 1 . 2]" 1
470 1 24 CYS HB3 1 25 ASP H . . 4.170 3.419 2.829 3.788 . 0 0 "[ . 1 . 2]" 1
471 1 24 CYS HB3 1 47 TYR QE . . 3.670 3.272 2.584 3.714 0.044 20 0 "[ . 1 . 2]" 1
472 1 25 ASP H 1 25 ASP HB2 . . 3.370 2.400 2.307 2.615 . 0 0 "[ . 1 . 2]" 1
473 1 25 ASP H 1 25 ASP HB3 . . 3.380 3.137 2.501 3.550 0.170 10 0 "[ . 1 . 2]" 1
474 1 25 ASP H 1 26 PRO HD2 . . 5.500 5.319 5.231 5.418 . 0 0 "[ . 1 . 2]" 1
475 1 25 ASP H 1 26 PRO HD3 . . 5.410 4.747 4.723 4.776 . 0 0 "[ . 1 . 2]" 1
476 1 25 ASP H 1 28 VAL H . . 5.500 4.169 4.029 4.403 . 0 0 "[ . 1 . 2]" 1
477 1 25 ASP H 1 28 VAL HB . . 4.640 3.378 3.031 3.956 . 0 0 "[ . 1 . 2]" 1
478 1 25 ASP H 1 28 VAL QG . . 4.690 2.935 2.709 3.126 . 0 0 "[ . 1 . 2]" 1
479 1 25 ASP HA 1 26 PRO HD2 . . 3.100 2.984 2.890 3.054 . 0 0 "[ . 1 . 2]" 1
480 1 25 ASP HA 1 26 PRO HD3 . . 3.180 1.952 1.928 1.979 . 0 0 "[ . 1 . 2]" 1
481 1 25 ASP HA 1 26 PRO HG2 . . 4.940 4.597 4.559 4.630 . 0 0 "[ . 1 . 2]" 1
482 1 25 ASP HA 1 26 PRO HG3 . . 4.850 4.090 4.055 4.119 . 0 0 "[ . 1 . 2]" 1
483 1 25 ASP HA 1 27 LYS H . . 4.180 4.022 3.875 4.096 . 0 0 "[ . 1 . 2]" 1
484 1 25 ASP HA 1 28 VAL H . . 5.210 4.716 4.629 4.867 . 0 0 "[ . 1 . 2]" 1
485 1 25 ASP HB2 1 26 PRO HD2 . . 4.690 4.162 3.964 4.348 . 0 0 "[ . 1 . 2]" 1
486 1 25 ASP HB2 1 26 PRO HD3 . . 4.560 4.254 4.067 4.461 . 0 0 "[ . 1 . 2]" 1
487 1 25 ASP HB2 1 27 LYS H . . 4.960 3.774 3.184 4.564 . 0 0 "[ . 1 . 2]" 1
488 1 25 ASP HB2 1 28 VAL H . . 4.650 3.822 3.169 4.716 0.066 4 0 "[ . 1 . 2]" 1
489 1 25 ASP HB2 1 28 VAL QG . . 4.310 2.838 2.268 3.781 . 0 0 "[ . 1 . 2]" 1
490 1 25 ASP HB3 1 26 PRO HD2 . . 5.160 3.134 2.401 4.117 . 0 0 "[ . 1 . 2]" 1
491 1 25 ASP HB3 1 26 PRO HD3 . . 4.820 3.622 3.025 4.383 . 0 0 "[ . 1 . 2]" 1
492 1 25 ASP HB3 1 27 LYS H . . 4.650 2.853 2.467 3.331 . 0 0 "[ . 1 . 2]" 1
493 1 25 ASP HB3 1 28 VAL H . . 4.350 3.549 3.015 4.071 . 0 0 "[ . 1 . 2]" 1
494 1 25 ASP HB3 1 28 VAL QG . . 3.740 3.140 2.192 3.756 0.016 9 0 "[ . 1 . 2]" 1
495 1 26 PRO HA 1 29 SER H . . 4.070 3.278 3.100 3.490 . 0 0 "[ . 1 . 2]" 1
496 1 26 PRO HA 1 29 SER HB2 . . 3.770 3.204 2.721 3.701 . 0 0 "[ . 1 . 2]" 1
497 1 26 PRO HA 1 29 SER HB3 . . 4.310 3.906 3.156 4.353 0.043 11 0 "[ . 1 . 2]" 1
498 1 26 PRO HA 1 30 ARG H . . 4.960 4.658 4.330 4.934 . 0 0 "[ . 1 . 2]" 1
499 1 26 PRO HB3 1 27 LYS H . . 4.100 4.106 4.061 4.129 0.029 3 0 "[ . 1 . 2]" 1
500 1 26 PRO HB3 1 27 LYS HA . . 4.710 4.904 4.882 4.936 0.226 11 0 "[ . 1 . 2]" 1
501 1 26 PRO HD3 1 27 LYS H . . 4.520 3.785 3.646 3.850 . 0 0 "[ . 1 . 2]" 1
502 1 26 PRO HD3 1 27 LYS HB2 . . 5.360 5.507 5.466 5.550 0.190 7 0 "[ . 1 . 2]" 1
503 1 26 PRO HG2 1 27 LYS H . . 4.820 4.322 4.194 4.400 . 0 0 "[ . 1 . 2]" 1
504 1 26 PRO HG3 1 27 LYS H . . 4.940 4.576 4.474 4.623 . 0 0 "[ . 1 . 2]" 1
505 1 27 LYS H 1 27 LYS HB2 . . 3.520 2.182 2.126 2.358 . 0 0 "[ . 1 . 2]" 1
506 1 27 LYS H 1 27 LYS HB3 . . 3.720 3.440 2.728 3.504 . 0 0 "[ . 1 . 2]" 1
507 1 27 LYS H 1 27 LYS HD2 . . 4.110 3.524 2.634 4.197 0.087 1 0 "[ . 1 . 2]" 1
508 1 27 LYS H 1 27 LYS HD3 . . 4.500 3.698 2.514 4.621 0.121 2 0 "[ . 1 . 2]" 1
509 1 27 LYS H 1 28 VAL H . . 3.450 2.576 2.482 2.651 . 0 0 "[ . 1 . 2]" 1
510 1 27 LYS H 1 28 VAL HB . . 5.500 4.772 4.663 4.904 . 0 0 "[ . 1 . 2]" 1
511 1 27 LYS H 1 28 VAL QG . . 5.160 3.828 3.762 3.927 . 0 0 "[ . 1 . 2]" 1
512 1 27 LYS H 1 29 SER H . . 5.500 4.025 3.908 4.182 . 0 0 "[ . 1 . 2]" 1
513 1 27 LYS HA 1 27 LYS HD2 . . 4.390 3.458 2.068 4.495 0.105 7 0 "[ . 1 . 2]" 1
514 1 27 LYS HA 1 27 LYS HD3 . . 3.870 3.683 2.188 4.022 0.152 2 0 "[ . 1 . 2]" 1
515 1 27 LYS HA 1 28 VAL HA . . 5.130 4.731 4.671 4.788 . 0 0 "[ . 1 . 2]" 1
516 1 27 LYS HA 1 30 ARG H . . 4.400 3.546 3.340 3.882 . 0 0 "[ . 1 . 2]" 1
517 1 27 LYS HA 1 30 ARG HB2 . . 4.610 3.683 3.210 4.157 . 0 0 "[ . 1 . 2]" 1
518 1 27 LYS HA 1 30 ARG HB3 . . 4.550 3.173 2.899 3.816 . 0 0 "[ . 1 . 2]" 1
519 1 27 LYS HA 1 31 LYS H . . 5.500 5.010 4.714 5.520 0.020 20 0 "[ . 1 . 2]" 1
520 1 27 LYS HB2 1 27 LYS HD2 . . 4.180 2.968 2.494 3.804 . 0 0 "[ . 1 . 2]" 1
521 1 27 LYS HB2 1 27 LYS QE . . 4.220 3.856 2.072 4.226 0.006 17 0 "[ . 1 . 2]" 1
522 1 27 LYS HB2 1 28 VAL H . . 4.540 3.246 3.094 3.813 . 0 0 "[ . 1 . 2]" 1
523 1 27 LYS HB2 1 28 VAL QG . . 5.040 3.437 2.975 4.324 . 0 0 "[ . 1 . 2]" 1
524 1 27 LYS HB3 1 27 LYS HD2 . . 3.860 3.324 2.567 4.168 0.308 5 0 "[ . 1 . 2]" 1
525 1 27 LYS HB3 1 27 LYS HD3 . . 3.740 3.058 2.273 3.762 0.022 5 0 "[ . 1 . 2]" 1
526 1 27 LYS HB3 1 27 LYS QE . . 3.900 3.865 1.997 4.098 0.198 1 0 "[ . 1 . 2]" 1
527 1 27 LYS HB3 1 28 VAL H . . 4.210 3.919 3.001 4.125 . 0 0 "[ . 1 . 2]" 1
528 1 27 LYS HB3 1 28 VAL QG . . 4.670 3.937 3.000 4.197 . 0 0 "[ . 1 . 2]" 1
529 1 27 LYS QE 1 27 LYS QG . . 3.100 2.116 1.989 2.346 . 0 0 "[ . 1 . 2]" 1
530 1 27 LYS HG3 1 28 VAL H . . 5.500 4.937 4.543 5.392 . 0 0 "[ . 1 . 2]" 1
531 1 28 VAL H 1 28 VAL HB . . 3.360 2.420 2.379 2.453 . 0 0 "[ . 1 . 2]" 1
532 1 28 VAL H 1 28 VAL QG . . 3.520 2.336 2.220 2.455 . 0 0 "[ . 1 . 2]" 1
533 1 28 VAL HA 1 31 LYS H . . 4.170 3.290 3.045 3.623 . 0 0 "[ . 1 . 2]" 1
534 1 28 VAL HA 1 31 LYS HB3 . . 3.710 2.762 2.247 3.729 0.019 13 0 "[ . 1 . 2]" 1
535 1 28 VAL HA 1 31 LYS HD2 . . 5.410 4.555 3.669 5.445 0.035 5 0 "[ . 1 . 2]" 1
536 1 28 VAL HA 1 31 LYS HD3 . . 4.700 3.304 3.015 4.443 . 0 0 "[ . 1 . 2]" 1
537 1 28 VAL HA 1 31 LYS HE3 . . 5.230 5.146 3.913 5.310 0.080 10 0 "[ . 1 . 2]" 1
538 1 28 VAL HA 1 32 TYR H . . 5.060 4.451 4.179 4.701 . 0 0 "[ . 1 . 2]" 1
539 1 28 VAL HA 1 32 TYR QD . . 4.340 3.934 3.755 4.218 . 0 0 "[ . 1 . 2]" 1
540 1 28 VAL HA 1 32 TYR QE . . 5.360 4.964 4.620 5.282 . 0 0 "[ . 1 . 2]" 1
541 1 28 VAL HB 1 29 SER H . . 3.620 2.996 2.915 3.093 . 0 0 "[ . 1 . 2]" 1
542 1 28 VAL QG 1 29 SER H . . 4.300 3.446 3.405 3.494 . 0 0 "[ . 1 . 2]" 1
543 1 28 VAL QG 1 29 SER HA . . 4.850 3.676 3.634 3.723 . 0 0 "[ . 1 . 2]" 1
544 1 28 VAL QG 1 29 SER HB3 . . 5.390 5.287 5.036 5.419 0.029 20 0 "[ . 1 . 2]" 1
545 1 28 VAL QG 1 31 LYS H . . 4.790 4.090 3.949 4.250 . 0 0 "[ . 1 . 2]" 1
546 1 28 VAL QG 1 31 LYS HE2 . . 5.500 3.665 2.044 4.962 . 0 0 "[ . 1 . 2]" 1
547 1 28 VAL QG 1 32 TYR QD . . 3.020 2.203 2.081 2.403 . 0 0 "[ . 1 . 2]" 1
548 1 28 VAL QG 1 32 TYR QE . . 2.680 2.546 2.388 2.707 0.027 3 0 "[ . 1 . 2]" 1
549 1 28 VAL QG 1 47 TYR QD . . 3.710 3.280 2.824 3.646 . 0 0 "[ . 1 . 2]" 1
550 1 28 VAL QG 1 47 TYR QE . . 3.000 2.777 2.271 3.019 0.019 1 0 "[ . 1 . 2]" 1
551 1 29 SER H 1 29 SER HB2 . . 3.740 2.586 2.502 2.691 . 0 0 "[ . 1 . 2]" 1
552 1 29 SER H 1 30 ARG H . . 3.540 2.571 2.511 2.616 . 0 0 "[ . 1 . 2]" 1
553 1 29 SER HA 1 31 LYS H . . 5.500 4.001 3.426 4.398 . 0 0 "[ . 1 . 2]" 1
554 1 29 SER HA 1 32 TYR HB2 . . 4.650 2.831 2.392 3.209 . 0 0 "[ . 1 . 2]" 1
555 1 29 SER HA 1 32 TYR QD . . 4.960 4.011 3.455 4.332 . 0 0 "[ . 1 . 2]" 1
556 1 29 SER HB2 1 30 ARG H . . 3.730 3.142 2.538 3.910 0.180 17 0 "[ . 1 . 2]" 1
557 1 29 SER HB2 1 33 LEU MD1 . . 5.500 3.907 3.519 4.167 . 0 0 "[ . 1 . 2]" 1
558 1 29 SER HB3 1 30 ARG H . . 4.330 3.439 2.521 4.149 . 0 0 "[ . 1 . 2]" 1
559 1 29 SER HB3 1 33 LEU MD1 . . 4.830 3.285 2.760 3.712 . 0 0 "[ . 1 . 2]" 1
560 1 30 ARG H 1 30 ARG HB2 . . 3.230 2.560 2.341 2.711 . 0 0 "[ . 1 . 2]" 1
561 1 30 ARG H 1 30 ARG HB3 . . 3.790 2.333 2.208 2.588 . 0 0 "[ . 1 . 2]" 1
562 1 30 ARG H 1 30 ARG HE . . 5.500 4.892 4.309 5.568 0.068 1 0 "[ . 1 . 2]" 1
563 1 30 ARG H 1 30 ARG HG2 . . 5.130 4.352 4.227 4.502 . 0 0 "[ . 1 . 2]" 1
564 1 30 ARG H 1 30 ARG HG3 . . 5.090 4.479 4.358 4.515 . 0 0 "[ . 1 . 2]" 1
565 1 30 ARG H 1 31 LYS H . . 3.890 2.662 2.563 2.859 . 0 0 "[ . 1 . 2]" 1
566 1 30 ARG H 1 33 LEU MD1 . . 5.500 4.256 3.993 4.515 . 0 0 "[ . 1 . 2]" 1
567 1 30 ARG HA 1 30 ARG HD2 . . 4.960 4.808 4.625 4.969 0.009 15 0 "[ . 1 . 2]" 1
568 1 30 ARG HA 1 30 ARG HG2 . . 3.940 3.255 2.866 3.429 . 0 0 "[ . 1 . 2]" 1
569 1 30 ARG HA 1 33 LEU H . . 4.480 3.728 3.535 4.049 . 0 0 "[ . 1 . 2]" 1
570 1 30 ARG HA 1 33 LEU HB2 . . 3.590 2.914 2.712 3.127 . 0 0 "[ . 1 . 2]" 1
571 1 30 ARG HA 1 33 LEU HB3 . . 4.610 4.507 4.319 4.661 0.051 20 0 "[ . 1 . 2]" 1
572 1 30 ARG HA 1 33 LEU MD1 . . 4.490 2.984 2.796 3.489 . 0 0 "[ . 1 . 2]" 1
573 1 30 ARG HA 1 34 GLN H . . 4.660 4.651 4.361 4.786 0.126 11 0 "[ . 1 . 2]" 1
574 1 30 ARG HA 1 38 TRP HH2 . . 4.060 2.302 2.187 2.421 . 0 0 "[ . 1 . 2]" 1
575 1 30 ARG HB2 1 31 LYS H . . 4.320 4.075 3.955 4.323 0.003 20 0 "[ . 1 . 2]" 1
576 1 30 ARG HB3 1 30 ARG HD3 . . 3.960 3.363 2.985 3.713 . 0 0 "[ . 1 . 2]" 1
577 1 30 ARG HB3 1 31 LYS H . . 4.410 2.859 2.663 3.696 . 0 0 "[ . 1 . 2]" 1
578 1 30 ARG HD3 1 38 TRP HH2 . . 5.420 4.186 3.888 4.425 . 0 0 "[ . 1 . 2]" 1
579 1 30 ARG HG2 1 34 GLN HG2 . . 5.410 5.394 4.866 5.570 0.160 15 0 "[ . 1 . 2]" 1
580 1 30 ARG HG2 1 38 TRP HH2 . . 3.800 3.556 2.767 3.804 0.004 1 0 "[ . 1 . 2]" 1
581 1 30 ARG HG2 1 38 TRP HZ2 . . 3.940 3.639 3.200 3.820 . 0 0 "[ . 1 . 2]" 1
582 1 30 ARG HG3 1 34 GLN HB2 . . 5.500 4.841 4.396 5.531 0.031 11 0 "[ . 1 . 2]" 1
583 1 30 ARG HG3 1 38 TRP HH2 . . 5.160 2.069 1.946 2.144 . 0 0 "[ . 1 . 2]" 1
584 1 30 ARG HG3 1 38 TRP HZ2 . . 4.180 2.856 2.457 4.092 . 0 0 "[ . 1 . 2]" 1
585 1 31 LYS H 1 31 LYS HB2 . . 3.540 2.907 2.411 3.592 0.052 14 0 "[ . 1 . 2]" 1
586 1 31 LYS H 1 31 LYS HB3 . . 3.070 2.265 2.145 2.523 . 0 0 "[ . 1 . 2]" 1
587 1 31 LYS H 1 31 LYS HD3 . . 5.350 4.468 4.051 4.899 . 0 0 "[ . 1 . 2]" 1
588 1 31 LYS H 1 31 LYS HG2 . . 4.750 3.949 2.634 4.470 . 0 0 "[ . 1 . 2]" 1
589 1 31 LYS H 1 31 LYS HG3 . . 5.490 4.416 3.822 4.735 . 0 0 "[ . 1 . 2]" 1
590 1 31 LYS H 1 32 TYR H . . 4.260 2.396 1.903 2.559 . 0 0 "[ . 1 . 2]" 1
591 1 31 LYS H 1 32 TYR HA . . 5.390 5.088 4.692 5.218 . 0 0 "[ . 1 . 2]" 1
592 1 31 LYS H 1 32 TYR HB2 . . 5.360 4.427 4.040 4.567 . 0 0 "[ . 1 . 2]" 1
593 1 31 LYS H 1 38 TRP HH2 . . 5.500 5.544 5.377 5.613 0.113 14 0 "[ . 1 . 2]" 1
594 1 31 LYS HA 1 31 LYS HD2 . . 4.900 4.528 4.352 4.951 0.051 3 0 "[ . 1 . 2]" 1
595 1 31 LYS HA 1 31 LYS HD3 . . 4.940 4.664 4.333 4.876 . 0 0 "[ . 1 . 2]" 1
596 1 31 LYS HA 1 31 LYS HG2 . . 3.850 3.381 2.891 3.848 . 0 0 "[ . 1 . 2]" 1
597 1 31 LYS HA 1 34 GLN H . . 4.540 3.457 3.083 3.674 . 0 0 "[ . 1 . 2]" 1
598 1 31 LYS HA 1 34 GLN HB2 . . 4.260 2.575 2.188 3.148 . 0 0 "[ . 1 . 2]" 1
599 1 31 LYS HA 1 34 GLN HB3 . . 4.410 3.702 2.517 3.892 . 0 0 "[ . 1 . 2]" 1
600 1 31 LYS HA 1 34 GLN HE22 . . 5.240 5.154 4.125 5.318 0.078 20 0 "[ . 1 . 2]" 1
601 1 31 LYS HA 1 34 GLN HG2 . . 5.300 5.197 3.575 5.360 0.060 15 0 "[ . 1 . 2]" 1
602 1 31 LYS HA 1 34 GLN HG3 . . 4.820 4.830 4.604 4.906 0.086 20 0 "[ . 1 . 2]" 1
603 1 31 LYS HA 1 35 ARG H . . 5.500 5.417 4.888 5.536 0.036 6 0 "[ . 1 . 2]" 1
604 1 31 LYS HB2 1 32 TYR H . . 4.320 4.163 3.851 4.291 . 0 0 "[ . 1 . 2]" 1
605 1 31 LYS HB3 1 31 LYS HE2 . . 4.690 4.259 2.053 4.687 . 0 0 "[ . 1 . 2]" 1
606 1 31 LYS HB3 1 31 LYS HE3 . . 4.990 4.053 2.056 4.624 . 0 0 "[ . 1 . 2]" 1
607 1 31 LYS HB3 1 32 TYR H . . 3.690 3.100 2.610 3.762 0.072 14 0 "[ . 1 . 2]" 1
608 1 31 LYS HB3 1 32 TYR HA . . 5.400 4.898 4.387 5.605 0.205 14 0 "[ . 1 . 2]" 1
609 1 31 LYS HB3 1 32 TYR QD . . 4.980 3.504 2.610 4.997 0.017 11 0 "[ . 1 . 2]" 1
610 1 31 LYS HD2 1 32 TYR QD . . 5.500 5.220 4.363 5.521 0.021 2 0 "[ . 1 . 2]" 1
611 1 31 LYS HD3 1 32 TYR QD . . 4.590 4.089 3.137 4.710 0.120 3 0 "[ . 1 . 2]" 1
612 1 31 LYS HE2 1 32 TYR QE . . 5.340 3.889 2.082 4.920 . 0 0 "[ . 1 . 2]" 1
613 1 31 LYS HE3 1 32 TYR QE . . 3.780 3.168 1.973 3.811 0.031 20 0 "[ . 1 . 2]" 1
614 1 31 LYS HG2 1 32 TYR H . . 5.100 3.551 2.426 4.175 . 0 0 "[ . 1 . 2]" 1
615 1 31 LYS HG2 1 32 TYR HA . . 4.810 3.858 3.350 4.237 . 0 0 "[ . 1 . 2]" 1
616 1 31 LYS HG2 1 35 ARG HD3 . . 5.500 4.376 3.589 5.521 0.021 11 0 "[ . 1 . 2]" 1
617 1 31 LYS HG3 1 32 TYR H . . 5.370 4.504 3.027 5.055 . 0 0 "[ . 1 . 2]" 1
618 1 31 LYS HG3 1 35 ARG HD2 . . 5.390 4.831 3.297 5.416 0.026 17 0 "[ . 1 . 2]" 1
619 1 31 LYS HG3 1 35 ARG HD3 . . 5.440 4.444 3.768 5.512 0.072 3 0 "[ . 1 . 2]" 1
620 1 32 TYR H 1 32 TYR HB2 . . 3.520 2.283 2.204 2.371 . 0 0 "[ . 1 . 2]" 1
621 1 32 TYR H 1 32 TYR QD . . 3.310 2.946 2.541 3.199 . 0 0 "[ . 1 . 2]" 1
622 1 32 TYR H 1 32 TYR QE . . 5.500 5.124 4.804 5.354 . 0 0 "[ . 1 . 2]" 1
623 1 32 TYR H 1 33 LEU H . . 3.700 2.481 2.239 2.811 . 0 0 "[ . 1 . 2]" 1
624 1 32 TYR H 1 34 GLN H . . 5.500 3.877 3.566 4.200 . 0 0 "[ . 1 . 2]" 1
625 1 32 TYR HA 1 32 TYR QD . . 3.240 2.914 2.639 3.078 . 0 0 "[ . 1 . 2]" 1
626 1 32 TYR HA 1 32 TYR QE . . 4.580 4.479 4.344 4.607 0.027 12 0 "[ . 1 . 2]" 1
627 1 32 TYR HA 1 33 LEU HA . . 5.210 4.520 4.327 4.709 . 0 0 "[ . 1 . 2]" 1
628 1 32 TYR HA 1 35 ARG H . . 4.820 3.928 3.706 4.299 . 0 0 "[ . 1 . 2]" 1
629 1 32 TYR HA 1 35 ARG HB2 . . 4.890 4.656 3.665 5.132 0.242 8 0 "[ . 1 . 2]" 1
630 1 32 TYR HA 1 35 ARG HD2 . . 5.000 4.048 2.063 5.022 0.022 6 0 "[ . 1 . 2]" 1
631 1 32 TYR HA 1 35 ARG HD3 . . 4.750 3.405 1.959 4.413 . 0 0 "[ . 1 . 2]" 1
632 1 32 TYR HA 1 35 ARG HG2 . . 4.480 2.529 2.239 2.834 . 0 0 "[ . 1 . 2]" 1
633 1 32 TYR HA 1 35 ARG HG3 . . 5.120 3.364 2.760 3.714 . 0 0 "[ . 1 . 2]" 1
634 1 32 TYR HA 1 36 ASN HD21 . . 4.890 3.474 2.996 4.220 . 0 0 "[ . 1 . 2]" 1
635 1 32 TYR HA 1 43 ALA MB . . 5.090 4.408 4.232 4.610 . 0 0 "[ . 1 . 2]" 1
636 1 32 TYR HB2 1 33 LEU H . . 4.070 3.736 3.349 4.075 0.005 3 0 "[ . 1 . 2]" 1
637 1 32 TYR HB3 1 33 LEU H . . 4.710 4.139 3.819 4.312 . 0 0 "[ . 1 . 2]" 1
638 1 32 TYR HB3 1 33 LEU HA . . 5.230 4.632 4.464 4.739 . 0 0 "[ . 1 . 2]" 1
639 1 32 TYR HB3 1 43 ALA HA . . 4.640 4.029 3.635 4.658 0.018 3 0 "[ . 1 . 2]" 1
640 1 32 TYR HB3 1 43 ALA MB . . 4.130 3.010 2.715 3.354 . 0 0 "[ . 1 . 2]" 1
641 1 32 TYR HB3 1 47 TYR QD . . 4.540 4.462 4.220 4.574 0.034 2 0 "[ . 1 . 2]" 1
642 1 32 TYR QD 1 33 LEU H . . 5.500 4.896 4.759 5.041 . 0 0 "[ . 1 . 2]" 1
643 1 32 TYR QD 1 36 ASN HD21 . . 5.500 4.084 3.779 4.342 . 0 0 "[ . 1 . 2]" 1
644 1 32 TYR QD 1 36 ASN HD22 . . 4.260 3.562 3.112 4.368 0.108 3 0 "[ . 1 . 2]" 1
645 1 32 TYR QD 1 43 ALA HA . . 5.190 4.310 4.039 4.557 . 0 0 "[ . 1 . 2]" 1
646 1 32 TYR QD 1 43 ALA MB . . 5.500 4.333 4.104 4.657 . 0 0 "[ . 1 . 2]" 1
647 1 32 TYR QD 1 46 ASP HB2 . . 3.670 3.717 3.404 3.764 0.094 13 0 "[ . 1 . 2]" 1
648 1 32 TYR QD 1 46 ASP HB3 . . 4.330 2.208 2.053 3.457 . 0 0 "[ . 1 . 2]" 1
649 1 32 TYR QD 1 47 TYR H . . 4.050 3.692 3.357 4.071 0.021 3 0 "[ . 1 . 2]" 1
650 1 32 TYR QD 1 47 TYR QD . . 3.980 3.476 3.144 3.668 . 0 0 "[ . 1 . 2]" 1
651 1 32 TYR QE 1 47 TYR H . . 4.560 4.355 4.014 4.586 0.026 14 0 "[ . 1 . 2]" 1
652 1 32 TYR QE 1 47 TYR HA . . 3.140 3.000 2.687 3.169 0.029 17 0 "[ . 1 . 2]" 1
653 1 32 TYR QE 1 47 TYR QD . . 3.500 3.474 3.044 3.541 0.041 12 0 "[ . 1 . 2]" 1
654 1 32 TYR QE 1 47 TYR QE . . 4.500 4.300 3.763 4.506 0.006 3 0 "[ . 1 . 2]" 1
655 1 32 TYR QE 1 50 LYS HB2 . . 4.090 2.824 2.461 4.151 0.061 14 0 "[ . 1 . 2]" 1
656 1 32 TYR QE 1 50 LYS QD . . 3.680 2.520 2.239 3.146 . 0 0 "[ . 1 . 2]" 1
657 1 32 TYR QE 1 50 LYS HG3 . . 5.370 4.146 2.575 4.878 . 0 0 "[ . 1 . 2]" 1
658 1 32 TYR QE 1 51 GLU HG2 . . 4.250 3.616 3.352 3.939 . 0 0 "[ . 1 . 2]" 1
659 1 32 TYR QE 1 51 GLU HG3 . . 4.260 3.290 2.855 3.677 . 0 0 "[ . 1 . 2]" 1
660 1 33 LEU H 1 33 LEU HB2 . . 3.030 2.359 2.247 2.584 . 0 0 "[ . 1 . 2]" 1
661 1 33 LEU H 1 33 LEU HB3 . . 3.980 3.617 3.537 3.758 . 0 0 "[ . 1 . 2]" 1
662 1 33 LEU H 1 33 LEU MD1 . . 4.610 3.725 3.472 4.046 . 0 0 "[ . 1 . 2]" 1
663 1 33 LEU H 1 33 LEU MD2 . . 4.880 4.076 3.856 4.194 . 0 0 "[ . 1 . 2]" 1
664 1 33 LEU H 1 33 LEU HG . . 4.180 3.029 2.631 3.323 . 0 0 "[ . 1 . 2]" 1
665 1 33 LEU H 1 34 GLN H . . 3.670 2.017 1.720 2.345 . 0 0 "[ . 1 . 2]" 1
666 1 33 LEU H 1 43 ALA MB . . 5.200 4.208 3.801 4.791 . 0 0 "[ . 1 . 2]" 1
667 1 33 LEU HA 1 33 LEU MD1 . . 4.470 3.859 3.845 3.882 . 0 0 "[ . 1 . 2]" 1
668 1 33 LEU HA 1 33 LEU MD2 . . 3.480 2.066 2.032 2.091 . 0 0 "[ . 1 . 2]" 1
669 1 33 LEU HA 1 33 LEU HG . . 3.670 2.777 2.706 2.872 . 0 0 "[ . 1 . 2]" 1
670 1 33 LEU HA 1 34 GLN HA . . 5.210 4.729 4.690 4.799 . 0 0 "[ . 1 . 2]" 1
671 1 33 LEU HA 1 36 ASN H . . 4.760 3.586 3.407 3.738 . 0 0 "[ . 1 . 2]" 1
672 1 33 LEU HA 1 36 ASN HB3 . . 4.390 4.522 4.473 4.654 0.264 2 0 "[ . 1 . 2]" 1
673 1 33 LEU HA 1 38 TRP H . . 4.790 3.521 3.303 3.683 . 0 0 "[ . 1 . 2]" 1
674 1 33 LEU HA 1 43 ALA HA . . 5.040 4.377 4.089 4.755 . 0 0 "[ . 1 . 2]" 1
675 1 33 LEU HA 1 43 ALA MB . . 3.570 2.529 2.279 2.975 . 0 0 "[ . 1 . 2]" 1
676 1 33 LEU HB2 1 34 GLN H . . 3.700 3.246 2.991 3.402 . 0 0 "[ . 1 . 2]" 1
677 1 33 LEU HB2 1 34 GLN HB2 . . 5.160 4.482 3.975 4.634 . 0 0 "[ . 1 . 2]" 1
678 1 33 LEU HB2 1 38 TRP HA . . 5.160 3.850 3.757 4.086 . 0 0 "[ . 1 . 2]" 1
679 1 33 LEU HB2 1 38 TRP HE3 . . 3.770 3.741 3.616 3.787 0.017 8 0 "[ . 1 . 2]" 1
680 1 33 LEU HB3 1 34 GLN H . . 4.380 4.013 3.834 4.133 . 0 0 "[ . 1 . 2]" 1
681 1 33 LEU HB3 1 38 TRP H . . 5.190 3.661 3.519 4.043 . 0 0 "[ . 1 . 2]" 1
682 1 33 LEU HB3 1 38 TRP HA . . 4.520 2.106 2.021 2.387 . 0 0 "[ . 1 . 2]" 1
683 1 33 LEU HB3 1 38 TRP HE3 . . 3.480 2.840 2.687 2.945 . 0 0 "[ . 1 . 2]" 1
684 1 33 LEU HB3 1 38 TRP HZ3 . . 4.330 3.893 3.522 4.073 . 0 0 "[ . 1 . 2]" 1
685 1 33 LEU MD1 1 34 GLN H . . 5.500 4.932 4.740 5.053 . 0 0 "[ . 1 . 2]" 1
686 1 33 LEU MD1 1 38 TRP HE3 . . 3.380 2.402 2.257 2.790 . 0 0 "[ . 1 . 2]" 1
687 1 33 LEU MD1 1 38 TRP HH2 . . 4.730 3.800 3.689 4.116 . 0 0 "[ . 1 . 2]" 1
688 1 33 LEU MD1 1 38 TRP HZ3 . . 3.340 2.488 2.372 2.692 . 0 0 "[ . 1 . 2]" 1
689 1 33 LEU MD1 1 40 ILE HA . . 5.010 4.384 4.133 4.519 . 0 0 "[ . 1 . 2]" 1
690 1 33 LEU MD1 1 40 ILE MD . . 4.780 2.474 2.094 3.776 . 0 0 "[ . 1 . 2]" 1
691 1 33 LEU MD1 1 43 ALA MB . . 4.940 3.759 3.624 3.875 . 0 0 "[ . 1 . 2]" 1
692 1 33 LEU MD2 1 38 TRP H . . 5.500 3.730 3.591 3.920 . 0 0 "[ . 1 . 2]" 1
693 1 33 LEU MD2 1 38 TRP HA . . 3.930 2.238 2.159 2.428 . 0 0 "[ . 1 . 2]" 1
694 1 33 LEU MD2 1 38 TRP HB2 . . 5.260 4.524 4.438 4.697 . 0 0 "[ . 1 . 2]" 1
695 1 33 LEU MD2 1 38 TRP HE3 . . 3.380 3.251 3.074 3.458 0.078 3 0 "[ . 1 . 2]" 1
696 1 33 LEU MD2 1 38 TRP HZ3 . . 4.170 4.492 4.277 4.729 0.559 3 1 "[ + . 1 . 2]" 1
697 1 33 LEU MD2 1 39 ASN H . . 5.340 3.328 2.929 3.444 . 0 0 "[ . 1 . 2]" 1
698 1 33 LEU MD2 1 40 ILE H . . 4.990 3.543 3.280 3.756 . 0 0 "[ . 1 . 2]" 1
699 1 33 LEU MD2 1 40 ILE HA . . 3.560 2.481 2.349 2.662 . 0 0 "[ . 1 . 2]" 1
700 1 33 LEU MD2 1 40 ILE HB . . 4.980 4.192 4.060 4.335 . 0 0 "[ . 1 . 2]" 1
701 1 33 LEU MD2 1 40 ILE MD . . 4.600 2.371 2.053 3.843 . 0 0 "[ . 1 . 2]" 1
702 1 33 LEU MD2 1 40 ILE HG12 . . 4.530 2.289 2.152 2.462 . 0 0 "[ . 1 . 2]" 1
703 1 33 LEU MD2 1 40 ILE HG13 . . 4.870 3.517 2.835 3.706 . 0 0 "[ . 1 . 2]" 1
704 1 33 LEU MD2 1 41 ASN H . . 5.500 4.862 4.716 5.063 . 0 0 "[ . 1 . 2]" 1
705 1 33 LEU MD2 1 43 ALA H . . 5.500 4.026 3.762 4.436 . 0 0 "[ . 1 . 2]" 1
706 1 33 LEU MD2 1 43 ALA HA . . 5.500 4.194 4.053 4.332 . 0 0 "[ . 1 . 2]" 1
707 1 33 LEU MD2 1 43 ALA MB . . 3.630 1.923 1.875 1.989 . 0 0 "[ . 1 . 2]" 1
708 1 33 LEU HG 1 40 ILE HG12 . . 5.340 4.590 4.405 4.823 . 0 0 "[ . 1 . 2]" 1
709 1 33 LEU HG 1 43 ALA MB . . 4.510 2.808 2.550 3.176 . 0 0 "[ . 1 . 2]" 1
710 1 34 GLN H 1 34 GLN HB2 . . 3.470 2.102 1.968 2.543 . 0 0 "[ . 1 . 2]" 1
711 1 34 GLN H 1 34 GLN HB3 . . 3.650 3.257 2.404 3.336 . 0 0 "[ . 1 . 2]" 1
712 1 34 GLN H 1 34 GLN HG2 . . 4.430 4.445 4.290 4.516 0.086 14 0 "[ . 1 . 2]" 1
713 1 34 GLN H 1 34 GLN HG3 . . 4.530 3.534 3.197 4.438 . 0 0 "[ . 1 . 2]" 1
714 1 34 GLN H 1 35 ARG H . . 3.790 2.534 2.350 2.778 . 0 0 "[ . 1 . 2]" 1
715 1 34 GLN H 1 35 ARG HA . . 5.290 5.115 4.970 5.253 . 0 0 "[ . 1 . 2]" 1
716 1 34 GLN H 1 36 ASN H . . 5.050 4.151 3.952 4.645 . 0 0 "[ . 1 . 2]" 1
717 1 34 GLN H 1 36 ASN HD21 . . 5.170 4.591 4.148 5.638 0.468 3 0 "[ . 1 . 2]" 1
718 1 34 GLN H 1 38 TRP HZ2 . . 4.560 4.465 3.999 4.647 0.087 11 0 "[ . 1 . 2]" 1
719 1 34 GLN HA 1 34 GLN HE22 . . 5.500 5.526 4.937 5.588 0.088 3 0 "[ . 1 . 2]" 1
720 1 34 GLN HA 1 34 GLN HG2 . . 4.120 2.632 2.481 3.807 . 0 0 "[ . 1 . 2]" 1
721 1 34 GLN HA 1 35 ARG HA . . 4.960 4.537 4.492 4.574 . 0 0 "[ . 1 . 2]" 1
722 1 34 GLN HA 1 36 ASN H . . 5.030 3.788 3.650 3.956 . 0 0 "[ . 1 . 2]" 1
723 1 34 GLN HA 1 37 HIS H . . 5.270 4.604 4.347 5.087 . 0 0 "[ . 1 . 2]" 1
724 1 34 GLN HA 1 38 TRP H . . 4.660 4.169 4.028 4.337 . 0 0 "[ . 1 . 2]" 1
725 1 34 GLN HA 1 38 TRP HD1 . . 3.630 3.614 3.538 3.724 0.094 20 0 "[ . 1 . 2]" 1
726 1 34 GLN HA 1 38 TRP HE1 . . 3.880 2.492 2.158 2.718 . 0 0 "[ . 1 . 2]" 1
727 1 34 GLN HA 1 38 TRP HZ2 . . 3.930 3.896 2.840 3.978 0.048 9 0 "[ . 1 . 2]" 1
728 1 34 GLN HB2 1 34 GLN HE22 . . 5.160 4.332 3.547 4.490 . 0 0 "[ . 1 . 2]" 1
729 1 34 GLN HB2 1 35 ARG H . . 4.230 3.902 3.805 4.263 0.033 20 0 "[ . 1 . 2]" 1
730 1 34 GLN HB2 1 38 TRP HE1 . . 4.900 4.439 4.038 4.527 . 0 0 "[ . 1 . 2]" 1
731 1 34 GLN HB2 1 38 TRP HZ2 . . 3.660 3.715 2.283 3.821 0.161 9 0 "[ . 1 . 2]" 1
732 1 34 GLN HB3 1 34 GLN HE22 . . 5.500 4.931 4.517 5.021 . 0 0 "[ . 1 . 2]" 1
733 1 34 GLN HB3 1 35 ARG H . . 4.100 3.991 3.613 4.152 0.052 2 0 "[ . 1 . 2]" 1
734 1 34 GLN HB3 1 35 ARG HA . . 5.130 4.631 4.547 4.960 . 0 0 "[ . 1 . 2]" 1
735 1 34 GLN HB3 1 38 TRP HE1 . . 5.230 4.594 4.503 4.920 . 0 0 "[ . 1 . 2]" 1
736 1 34 GLN HB3 1 38 TRP HZ2 . . 5.230 4.741 3.901 4.806 . 0 0 "[ . 1 . 2]" 1
737 1 34 GLN HE22 1 38 TRP HZ2 . . 2.590 2.820 2.622 2.867 0.277 15 0 "[ . 1 . 2]" 1
738 1 34 GLN QG 1 38 TRP HE1 . . 4.510 2.080 1.966 3.463 . 0 0 "[ . 1 . 2]" 1
739 1 34 GLN HG2 1 38 TRP HE1 . . 4.880 2.928 2.707 4.900 0.020 20 0 "[ . 1 . 2]" 1
740 1 34 GLN HG2 1 38 TRP HZ2 . . 3.490 3.553 3.517 3.829 0.339 20 0 "[ . 1 . 2]" 1
741 1 34 GLN HG3 1 35 ARG H . . 5.130 4.942 4.723 5.079 . 0 0 "[ . 1 . 2]" 1
742 1 34 GLN HG3 1 38 TRP HE1 . . 4.880 2.129 2.007 3.541 . 0 0 "[ . 1 . 2]" 1
743 1 34 GLN HG3 1 38 TRP HZ2 . . 3.490 2.141 2.041 3.625 0.135 20 0 "[ . 1 . 2]" 1
744 1 35 ARG H 1 35 ARG HB2 . . 3.870 3.398 2.844 3.864 . 0 0 "[ . 1 . 2]" 1
745 1 35 ARG H 1 35 ARG HB3 . . 4.130 3.528 3.094 3.819 . 0 0 "[ . 1 . 2]" 1
746 1 35 ARG H 1 35 ARG HD3 . . 5.310 4.400 4.061 4.909 . 0 0 "[ . 1 . 2]" 1
747 1 35 ARG H 1 35 ARG HG2 . . 4.290 2.235 2.128 2.379 . 0 0 "[ . 1 . 2]" 1
748 1 35 ARG H 1 35 ARG HG3 . . 4.610 3.472 2.823 3.906 . 0 0 "[ . 1 . 2]" 1
749 1 35 ARG H 1 36 ASN H . . 3.480 2.059 1.908 2.240 . 0 0 "[ . 1 . 2]" 1
750 1 35 ARG H 1 43 ALA MB . . 5.500 4.826 4.523 5.086 . 0 0 "[ . 1 . 2]" 1
751 1 35 ARG HA 1 35 ARG HG3 . . 4.230 3.930 3.808 4.081 . 0 0 "[ . 1 . 2]" 1
752 1 35 ARG HA 1 36 ASN HD21 . . 5.500 5.091 4.869 5.473 . 0 0 "[ . 1 . 2]" 1
753 1 35 ARG HB2 1 35 ARG HD2 . . 4.140 3.495 2.976 3.817 . 0 0 "[ . 1 . 2]" 1
754 1 35 ARG HB2 1 36 ASN H . . 5.500 4.091 3.564 4.534 . 0 0 "[ . 1 . 2]" 1
755 1 35 ARG HB2 1 36 ASN HD21 . . 5.090 3.829 2.687 5.054 . 0 0 "[ . 1 . 2]" 1
756 1 35 ARG HB3 1 35 ARG HD2 . . 3.920 2.867 2.386 3.696 . 0 0 "[ . 1 . 2]" 1
757 1 35 ARG HB3 1 35 ARG HD3 . . 4.070 3.686 2.983 3.792 . 0 0 "[ . 1 . 2]" 1
758 1 35 ARG HB3 1 36 ASN H . . 4.860 4.565 4.471 4.618 . 0 0 "[ . 1 . 2]" 1
759 1 35 ARG HG2 1 36 ASN HD21 . . 5.500 3.294 2.660 3.930 . 0 0 "[ . 1 . 2]" 1
760 1 35 ARG HG2 1 36 ASN HD22 . . 5.110 3.266 2.494 4.454 . 0 0 "[ . 1 . 2]" 1
761 1 35 ARG HG2 1 43 ALA MB . . 5.350 5.290 4.876 5.460 0.110 10 0 "[ . 1 . 2]" 1
762 1 35 ARG HG3 1 36 ASN H . . 5.500 4.684 3.775 5.429 . 0 0 "[ . 1 . 2]" 1
763 1 35 ARG HG3 1 36 ASN HD21 . . 5.500 3.459 1.973 4.535 . 0 0 "[ . 1 . 2]" 1
764 1 35 ARG HG3 1 36 ASN HD22 . . 5.500 3.022 1.946 4.364 . 0 0 "[ . 1 . 2]" 1
765 1 36 ASN H 1 36 ASN HB3 . . 3.760 3.775 3.520 3.875 0.115 14 0 "[ . 1 . 2]" 1
766 1 36 ASN H 1 36 ASN HD21 . . 4.580 3.388 3.085 3.856 . 0 0 "[ . 1 . 2]" 1
767 1 36 ASN H 1 36 ASN HD22 . . 5.500 4.222 3.869 4.605 . 0 0 "[ . 1 . 2]" 1
768 1 36 ASN H 1 37 HIS H . . 3.960 2.303 2.006 2.492 . 0 0 "[ . 1 . 2]" 1
769 1 36 ASN H 1 37 HIS HA . . 4.830 4.259 4.007 4.421 . 0 0 "[ . 1 . 2]" 1
770 1 36 ASN H 1 38 TRP H . . 4.710 2.961 2.820 3.043 . 0 0 "[ . 1 . 2]" 1
771 1 36 ASN H 1 43 ALA MB . . 5.500 4.611 4.217 5.086 . 0 0 "[ . 1 . 2]" 1
772 1 36 ASN HA 1 37 HIS HD2 . . 3.890 3.898 3.260 3.967 0.077 1 0 "[ . 1 . 2]" 1
773 1 36 ASN HA 1 37 HIS HE1 . . 5.050 5.088 5.072 5.116 0.066 15 0 "[ . 1 . 2]" 1
774 1 36 ASN HB2 1 39 ASN H . . 4.650 3.765 3.519 3.971 . 0 0 "[ . 1 . 2]" 1
775 1 36 ASN HB2 1 42 TYR HB2 . . 4.300 3.941 2.971 4.360 0.060 14 0 "[ . 1 . 2]" 1
776 1 36 ASN HB2 1 43 ALA HA . . 4.340 3.178 2.759 4.177 . 0 0 "[ . 1 . 2]" 1
777 1 36 ASN HB2 1 43 ALA MB . . 4.240 2.614 2.199 3.766 . 0 0 "[ . 1 . 2]" 1
778 1 36 ASN HB3 1 37 HIS H . . 5.420 4.555 4.494 4.676 . 0 0 "[ . 1 . 2]" 1
779 1 36 ASN HB3 1 38 TRP H . . 5.500 4.740 4.566 5.107 . 0 0 "[ . 1 . 2]" 1
780 1 36 ASN HB3 1 39 ASN H . . 5.400 4.162 3.818 5.073 . 0 0 "[ . 1 . 2]" 1
781 1 36 ASN HB3 1 42 TYR HB2 . . 4.930 3.233 2.488 4.845 . 0 0 "[ . 1 . 2]" 1
782 1 36 ASN HB3 1 43 ALA HA . . 4.180 3.260 2.999 3.762 . 0 0 "[ . 1 . 2]" 1
783 1 36 ASN HB3 1 43 ALA MB . . 3.970 3.328 3.001 3.996 0.026 2 0 "[ . 1 . 2]" 1
784 1 36 ASN HD21 1 43 ALA HA . . 3.950 2.774 2.467 2.928 . 0 0 "[ . 1 . 2]" 1
785 1 36 ASN HD21 1 43 ALA MB . . 4.910 2.978 2.777 3.270 . 0 0 "[ . 1 . 2]" 1
786 1 36 ASN HD21 1 46 ASP HB2 . . 5.420 3.999 3.647 4.286 . 0 0 "[ . 1 . 2]" 1
787 1 36 ASN HD21 1 46 ASP HB3 . . 5.500 3.874 3.445 4.353 . 0 0 "[ . 1 . 2]" 1
788 1 36 ASN HD22 1 43 ALA HA . . 4.190 3.239 2.985 3.415 . 0 0 "[ . 1 . 2]" 1
789 1 36 ASN HD22 1 43 ALA MB . . 5.500 3.728 2.345 4.256 . 0 0 "[ . 1 . 2]" 1
790 1 36 ASN HD22 1 46 ASP H . . 5.500 5.150 4.507 6.327 0.827 3 4 "[**+ . 1 - . 2]" 1
791 1 36 ASN HD22 1 46 ASP HB2 . . 4.500 3.352 2.471 5.231 0.731 2 3 "[*+ . 1 - . 2]" 1
792 1 36 ASN HD22 1 46 ASP HB3 . . 4.470 3.358 2.648 5.442 0.972 3 3 "[-*+ . 1 . 2]" 1
793 1 37 HIS H 1 38 TRP H . . 4.190 2.777 2.713 2.894 . 0 0 "[ . 1 . 2]" 1
794 1 37 HIS H 1 38 TRP HA . . 5.500 4.993 4.939 5.101 . 0 0 "[ . 1 . 2]" 1
795 1 37 HIS H 1 38 TRP HD1 . . 4.470 4.328 4.088 4.489 0.019 18 0 "[ . 1 . 2]" 1
796 1 37 HIS H 1 39 ASN H . . 5.210 4.594 4.511 4.720 . 0 0 "[ . 1 . 2]" 1
797 1 37 HIS HA 1 38 TRP HB3 . . 5.590 5.633 5.582 5.658 0.068 4 0 "[ . 1 . 2]" 1
798 1 37 HIS HA 1 38 TRP HD1 . . 4.130 3.278 2.931 3.538 . 0 0 "[ . 1 . 2]" 1
799 1 37 HIS HB3 1 37 HIS HD2 . . 3.610 3.460 2.607 3.612 0.002 2 0 "[ . 1 . 2]" 1
800 1 37 HIS HB3 1 39 ASN H . . 5.500 4.854 4.636 5.286 . 0 0 "[ . 1 . 2]" 1
801 1 38 TRP H 1 38 TRP HD1 . . 3.680 3.093 2.997 3.251 . 0 0 "[ . 1 . 2]" 1
802 1 38 TRP H 1 39 ASN H . . 4.100 2.871 2.827 2.918 . 0 0 "[ . 1 . 2]" 1
803 1 38 TRP H 1 43 ALA MB . . 5.500 4.561 4.345 4.858 . 0 0 "[ . 1 . 2]" 1
804 1 38 TRP HA 1 38 TRP HE1 . . 5.500 5.138 5.058 5.203 . 0 0 "[ . 1 . 2]" 1
805 1 38 TRP HA 1 38 TRP HE3 . . 3.420 3.414 3.247 3.494 0.074 1 0 "[ . 1 . 2]" 1
806 1 38 TRP HA 1 39 ASN H . . 3.500 2.953 2.810 3.026 . 0 0 "[ . 1 . 2]" 1
807 1 38 TRP HB2 1 38 TRP HD1 . . 3.740 2.759 2.727 2.788 . 0 0 "[ . 1 . 2]" 1
808 1 38 TRP HB2 1 38 TRP HE3 . . 3.740 3.944 3.913 3.976 0.236 8 0 "[ . 1 . 2]" 1
809 1 38 TRP HB3 1 38 TRP HD1 . . 3.710 3.831 3.814 3.843 0.133 3 0 "[ . 1 . 2]" 1
810 1 38 TRP HB3 1 39 ASN H . . 5.150 4.501 4.480 4.536 . 0 0 "[ . 1 . 2]" 1
811 1 39 ASN H 1 39 ASN HB3 . . 3.460 3.532 3.508 3.595 0.135 18 0 "[ . 1 . 2]" 1
812 1 39 ASN H 1 40 ILE H . . 5.500 4.464 4.334 4.530 . 0 0 "[ . 1 . 2]" 1
813 1 39 ASN H 1 41 ASN H . . 5.110 5.156 5.127 5.198 0.088 13 0 "[ . 1 . 2]" 1
814 1 39 ASN H 1 42 TYR H . . 5.500 4.577 4.415 4.707 . 0 0 "[ . 1 . 2]" 1
815 1 39 ASN H 1 43 ALA MB . . 5.500 3.809 3.543 4.057 . 0 0 "[ . 1 . 2]" 1
816 1 39 ASN HA 1 40 ILE H . . 3.090 2.193 2.088 2.230 . 0 0 "[ . 1 . 2]" 1
817 1 39 ASN HA 1 40 ILE HB . . 4.760 4.353 4.320 4.378 . 0 0 "[ . 1 . 2]" 1
818 1 39 ASN HA 1 40 ILE HG12 . . 4.870 4.538 4.355 5.059 0.189 18 0 "[ . 1 . 2]" 1
819 1 39 ASN HA 1 41 ASN H . . 4.720 3.502 3.455 3.585 . 0 0 "[ . 1 . 2]" 1
820 1 39 ASN HB2 1 39 ASN HD22 . . 3.850 3.880 3.720 4.127 0.277 3 0 "[ . 1 . 2]" 1
821 1 39 ASN HB2 1 42 TYR H . . 5.040 3.389 3.159 3.571 . 0 0 "[ . 1 . 2]" 1
822 1 39 ASN HB2 1 42 TYR HB3 . . 3.450 3.599 3.560 3.621 0.171 18 0 "[ . 1 . 2]" 1
823 1 39 ASN HB2 1 42 TYR QD . . 3.400 2.723 2.432 3.133 . 0 0 "[ . 1 . 2]" 1
824 1 39 ASN HB2 1 42 TYR QE . . 5.310 4.679 4.071 5.188 . 0 0 "[ . 1 . 2]" 1
825 1 39 ASN HB2 1 43 ALA MB . . 5.500 4.500 4.353 4.698 . 0 0 "[ . 1 . 2]" 1
826 1 39 ASN HB3 1 39 ASN HD22 . . 3.940 3.541 3.514 3.581 . 0 0 "[ . 1 . 2]" 1
827 1 39 ASN HB3 1 40 ILE H . . 4.940 3.473 3.276 3.636 . 0 0 "[ . 1 . 2]" 1
828 1 39 ASN HB3 1 42 TYR H . . 5.160 2.878 2.565 3.058 . 0 0 "[ . 1 . 2]" 1
829 1 39 ASN HB3 1 42 TYR HB2 . . 4.930 2.797 2.527 2.971 . 0 0 "[ . 1 . 2]" 1
830 1 39 ASN HB3 1 42 TYR HB3 . . 5.110 4.481 4.271 4.636 . 0 0 "[ . 1 . 2]" 1
831 1 39 ASN HB3 1 42 TYR QD . . 3.930 2.487 2.045 3.535 . 0 0 "[ . 1 . 2]" 1
832 1 39 ASN HD21 1 41 ASN H . . 5.500 4.266 3.816 4.574 . 0 0 "[ . 1 . 2]" 1
833 1 39 ASN HD21 1 41 ASN QB . . 5.360 3.775 3.702 3.889 . 0 0 "[ . 1 . 2]" 1
834 1 39 ASN HD21 1 41 ASN HD21 . . 5.500 4.628 4.063 5.029 . 0 0 "[ . 1 . 2]" 1
835 1 39 ASN HD21 1 42 TYR QD . . 4.480 2.780 2.095 3.491 . 0 0 "[ . 1 . 2]" 1
836 1 39 ASN HD21 1 42 TYR QE . . 5.020 3.308 2.716 4.262 . 0 0 "[ . 1 . 2]" 1
837 1 39 ASN HD22 1 42 TYR QD . . 5.500 4.082 3.810 4.448 . 0 0 "[ . 1 . 2]" 1
838 1 39 ASN HD22 1 42 TYR QE . . 4.230 4.116 3.252 4.933 0.703 1 7 "[+ * . -1 ** .* * 2]" 1
839 1 40 ILE H 1 40 ILE HB . . 3.300 2.186 2.147 2.302 . 0 0 "[ . 1 . 2]" 1
840 1 40 ILE H 1 40 ILE MD . . 5.500 3.902 3.596 3.985 . 0 0 "[ . 1 . 2]" 1
841 1 40 ILE H 1 40 ILE HG12 . . 4.140 2.923 2.786 3.429 . 0 0 "[ . 1 . 2]" 1
842 1 40 ILE H 1 40 ILE HG13 . . 4.820 3.623 2.232 3.899 . 0 0 "[ . 1 . 2]" 1
843 1 40 ILE H 1 40 ILE MG . . 3.850 3.640 3.607 3.696 . 0 0 "[ . 1 . 2]" 1
844 1 40 ILE H 1 41 ASN H . . 3.910 2.572 2.536 2.603 . 0 0 "[ . 1 . 2]" 1
845 1 40 ILE HA 1 40 ILE MD . . 4.760 2.191 1.897 3.760 . 0 0 "[ . 1 . 2]" 1
846 1 40 ILE HA 1 40 ILE HG12 . . 4.040 2.511 2.357 2.579 . 0 0 "[ . 1 . 2]" 1
847 1 40 ILE HA 1 43 ALA H . . 4.250 3.098 2.925 3.315 . 0 0 "[ . 1 . 2]" 1
848 1 40 ILE HA 1 43 ALA MB . . 3.470 2.121 1.995 2.259 . 0 0 "[ . 1 . 2]" 1
849 1 40 ILE HA 1 44 LEU H . . 4.740 3.605 3.548 3.667 . 0 0 "[ . 1 . 2]" 1
850 1 40 ILE HA 1 44 LEU QD . . 5.500 3.909 3.742 3.988 . 0 0 "[ . 1 . 2]" 1
851 1 40 ILE HB 1 40 ILE HG12 . . 3.000 2.627 2.538 3.050 0.050 11 0 "[ . 1 . 2]" 1
852 1 40 ILE HB 1 41 ASN H . . 4.000 3.368 2.950 3.505 . 0 0 "[ . 1 . 2]" 1
853 1 40 ILE HG12 1 41 ASN H . . 5.500 4.894 4.829 5.120 . 0 0 "[ . 1 . 2]" 1
854 1 40 ILE HG13 1 40 ILE MG . . 3.640 2.562 2.423 3.238 . 0 0 "[ . 1 . 2]" 1
855 1 40 ILE HG13 1 44 LEU QD . . 4.910 4.463 4.322 5.000 0.090 18 0 "[ . 1 . 2]" 1
856 1 40 ILE MG 1 41 ASN H . . 3.940 3.582 3.526 3.650 . 0 0 "[ . 1 . 2]" 1
857 1 40 ILE MG 1 41 ASN HA . . 4.440 3.412 3.334 3.493 . 0 0 "[ . 1 . 2]" 1
858 1 40 ILE MG 1 41 ASN QB . . 4.840 4.541 4.487 4.595 . 0 0 "[ . 1 . 2]" 1
859 1 40 ILE MG 1 41 ASN HD21 . . 5.500 5.530 5.502 5.547 0.047 11 0 "[ . 1 . 2]" 1
860 1 40 ILE MG 1 41 ASN HD22 . . 5.500 4.883 4.830 4.941 . 0 0 "[ . 1 . 2]" 1
861 1 40 ILE MG 1 44 LEU H . . 5.070 3.857 3.745 3.937 . 0 0 "[ . 1 . 2]" 1
862 1 40 ILE MG 1 44 LEU HB3 . . 4.520 4.558 4.446 4.598 0.078 8 0 "[ . 1 . 2]" 1
863 1 40 ILE MG 1 44 LEU QD . . 4.180 1.996 1.845 2.041 . 0 0 "[ . 1 . 2]" 1
864 1 40 ILE MG 1 44 LEU HG . . 5.190 2.245 2.205 2.294 . 0 0 "[ . 1 . 2]" 1
865 1 41 ASN H 1 41 ASN QB . . 3.220 2.387 2.368 2.419 . 0 0 "[ . 1 . 2]" 1
866 1 41 ASN H 1 41 ASN HD22 . . 5.500 4.338 4.236 4.412 . 0 0 "[ . 1 . 2]" 1
867 1 41 ASN H 1 42 TYR H . . 3.540 2.447 2.353 2.545 . 0 0 "[ . 1 . 2]" 1
868 1 41 ASN H 1 43 ALA MB . . 5.500 4.487 4.392 4.589 . 0 0 "[ . 1 . 2]" 1
869 1 41 ASN H 1 44 LEU QD . . 5.500 4.991 4.708 5.088 . 0 0 "[ . 1 . 2]" 1
870 1 41 ASN HA 1 41 ASN HD22 . . 5.500 4.742 4.705 4.787 . 0 0 "[ . 1 . 2]" 1
871 1 41 ASN HA 1 43 ALA MB . . 5.070 5.165 5.072 5.241 0.171 9 0 "[ . 1 . 2]" 1
872 1 41 ASN HA 1 44 LEU H . . 4.330 4.076 3.917 4.168 . 0 0 "[ . 1 . 2]" 1
873 1 41 ASN HA 1 44 LEU HB2 . . 3.960 3.946 3.739 4.033 0.073 1 0 "[ . 1 . 2]" 1
874 1 41 ASN HA 1 44 LEU QD . . 3.830 3.606 3.312 3.761 . 0 0 "[ . 1 . 2]" 1
875 1 41 ASN HA 1 44 LEU HG . . 5.380 4.656 4.465 4.805 . 0 0 "[ . 1 . 2]" 1
876 1 41 ASN QB 1 42 TYR H . . 3.660 3.376 3.212 3.452 . 0 0 "[ . 1 . 2]" 1
877 1 41 ASN QB 1 42 TYR HA . . 4.400 4.404 4.271 4.442 0.042 13 0 "[ . 1 . 2]" 1
878 1 41 ASN QB 1 42 TYR HB3 . . 5.470 5.479 5.401 5.524 0.054 17 0 "[ . 1 . 2]" 1
879 1 41 ASN QB 1 42 TYR QD . . 3.870 2.860 2.566 3.326 . 0 0 "[ . 1 . 2]" 1
880 1 41 ASN QB 1 42 TYR QE . . 4.450 3.474 3.306 3.730 . 0 0 "[ . 1 . 2]" 1
881 1 41 ASN QB 1 44 LEU QD . . 5.500 5.132 4.879 5.262 . 0 0 "[ . 1 . 2]" 1
882 1 41 ASN QB 1 45 ASN HD22 . . 5.500 4.172 4.119 4.341 . 0 0 "[ . 1 . 2]" 1
883 1 42 TYR H 1 42 TYR HB3 . . 3.580 3.633 3.607 3.681 0.101 3 0 "[ . 1 . 2]" 1
884 1 42 TYR H 1 42 TYR QD . . 3.370 3.260 3.147 3.424 0.054 10 0 "[ . 1 . 2]" 1
885 1 42 TYR H 1 43 ALA H . . 3.820 1.878 1.779 2.107 . 0 0 "[ . 1 . 2]" 1
886 1 42 TYR H 1 43 ALA MB . . 5.500 3.386 3.279 3.588 . 0 0 "[ . 1 . 2]" 1
887 1 42 TYR H 1 45 ASN HD21 . . 5.500 4.040 3.916 4.668 . 0 0 "[ . 1 . 2]" 1
888 1 42 TYR HA 1 42 TYR QD . . 2.850 2.671 2.064 2.896 0.046 14 0 "[ . 1 . 2]" 1
889 1 42 TYR HA 1 42 TYR QE . . 4.830 4.512 4.405 4.562 . 0 0 "[ . 1 . 2]" 1
890 1 42 TYR HA 1 43 ALA MB . . 5.500 4.813 4.670 4.912 . 0 0 "[ . 1 . 2]" 1
891 1 42 TYR HA 1 45 ASN QB . . 3.700 3.759 3.610 3.796 0.096 17 0 "[ . 1 . 2]" 1
892 1 42 TYR HA 1 45 ASN HD21 . . 4.120 2.306 2.192 3.211 . 0 0 "[ . 1 . 2]" 1
893 1 42 TYR HA 1 45 ASN HD22 . . 5.380 2.928 2.701 4.734 . 0 0 "[ . 1 . 2]" 1
894 1 42 TYR HA 1 46 ASP H . . 5.180 4.902 4.657 5.191 0.011 6 0 "[ . 1 . 2]" 1
895 1 42 TYR HB2 1 43 ALA H . . 4.580 3.479 3.041 3.948 . 0 0 "[ . 1 . 2]" 1
896 1 42 TYR HB3 1 43 ALA H . . 4.480 4.147 3.957 4.402 . 0 0 "[ . 1 . 2]" 1
897 1 42 TYR QD 1 45 ASN HD21 . . 4.930 4.489 4.026 4.709 . 0 0 "[ . 1 . 2]" 1
898 1 42 TYR QD 1 45 ASN HD22 . . 4.970 4.685 3.640 4.992 0.022 6 0 "[ . 1 . 2]" 1
899 1 43 ALA H 1 43 ALA MB . . 3.430 2.244 2.144 2.411 . 0 0 "[ . 1 . 2]" 1
900 1 43 ALA HA 1 45 ASN H . . 5.500 4.228 4.069 4.385 . 0 0 "[ . 1 . 2]" 1
901 1 43 ALA HA 1 46 ASP H . . 4.450 3.363 3.194 3.533 . 0 0 "[ . 1 . 2]" 1
902 1 43 ALA HA 1 46 ASP HB2 . . 3.820 3.063 2.547 3.315 . 0 0 "[ . 1 . 2]" 1
903 1 43 ALA HA 1 46 ASP HB3 . . 4.120 3.164 2.879 4.146 0.026 3 0 "[ . 1 . 2]" 1
904 1 43 ALA HA 1 47 TYR H . . 5.460 4.567 4.420 4.763 . 0 0 "[ . 1 . 2]" 1
905 1 43 ALA MB 1 44 LEU H . . 3.920 2.727 2.591 2.807 . 0 0 "[ . 1 . 2]" 1
906 1 43 ALA MB 1 44 LEU HA . . 5.180 3.896 3.855 3.952 . 0 0 "[ . 1 . 2]" 1
907 1 43 ALA MB 1 44 LEU HB2 . . 5.500 4.597 4.442 4.718 . 0 0 "[ . 1 . 2]" 1
908 1 43 ALA MB 1 44 LEU HG . . 5.480 3.400 3.263 3.509 . 0 0 "[ . 1 . 2]" 1
909 1 43 ALA MB 1 45 ASN H . . 5.420 4.510 4.391 4.574 . 0 0 "[ . 1 . 2]" 1
910 1 43 ALA MB 1 46 ASP H . . 5.500 4.539 4.438 4.665 . 0 0 "[ . 1 . 2]" 1
911 1 43 ALA MB 1 47 TYR H . . 5.500 4.896 4.748 5.064 . 0 0 "[ . 1 . 2]" 1
912 1 44 LEU H 1 44 LEU HB2 . . 3.440 2.322 2.279 2.371 . 0 0 "[ . 1 . 2]" 1
913 1 44 LEU H 1 44 LEU HB3 . . 4.030 3.561 3.530 3.583 . 0 0 "[ . 1 . 2]" 1
914 1 44 LEU H 1 44 LEU QD . . 4.440 3.209 3.166 3.248 . 0 0 "[ . 1 . 2]" 1
915 1 44 LEU H 1 44 LEU HG . . 3.660 2.465 2.384 2.543 . 0 0 "[ . 1 . 2]" 1
916 1 44 LEU H 1 45 ASN H . . 3.770 2.539 2.505 2.566 . 0 0 "[ . 1 . 2]" 1
917 1 44 LEU H 1 45 ASN QB . . 5.500 4.752 4.559 4.826 . 0 0 "[ . 1 . 2]" 1
918 1 44 LEU H 1 46 ASP H . . 5.290 4.042 3.903 4.182 . 0 0 "[ . 1 . 2]" 1
919 1 44 LEU HA 1 44 LEU QD . . 3.550 1.986 1.967 2.033 . 0 0 "[ . 1 . 2]" 1
920 1 44 LEU HA 1 47 TYR H . . 4.480 3.239 3.127 3.361 . 0 0 "[ . 1 . 2]" 1
921 1 44 LEU HA 1 47 TYR HB2 . . 4.020 3.422 3.228 3.581 . 0 0 "[ . 1 . 2]" 1
922 1 44 LEU HA 1 47 TYR HB3 . . 4.570 2.675 2.515 2.826 . 0 0 "[ . 1 . 2]" 1
923 1 44 LEU HA 1 47 TYR QD . . 4.510 4.351 4.209 4.498 . 0 0 "[ . 1 . 2]" 1
924 1 44 LEU HA 1 48 TYR H . . 4.960 4.146 4.047 4.235 . 0 0 "[ . 1 . 2]" 1
925 1 44 LEU HB2 1 45 ASN H . . 3.740 2.851 2.740 2.967 . 0 0 "[ . 1 . 2]" 1
926 1 44 LEU HB3 1 45 ASN H . . 4.280 3.748 3.646 3.829 . 0 0 "[ . 1 . 2]" 1
927 1 44 LEU HB3 1 45 ASN HA . . 4.650 4.440 4.385 4.510 . 0 0 "[ . 1 . 2]" 1
928 1 44 LEU HB3 1 48 TYR QD . . 4.890 3.489 3.392 3.547 . 0 0 "[ . 1 . 2]" 1
929 1 44 LEU HB3 1 48 TYR QE . . 3.590 2.185 2.119 2.261 . 0 0 "[ . 1 . 2]" 1
930 1 44 LEU QD 1 45 ASN H . . 5.500 4.222 4.179 4.278 . 0 0 "[ . 1 . 2]" 1
931 1 44 LEU QD 1 47 TYR HB2 . . 5.500 4.008 3.837 4.221 . 0 0 "[ . 1 . 2]" 1
932 1 44 LEU QD 1 48 TYR QD . . 5.200 4.225 4.169 4.261 . 0 0 "[ . 1 . 2]" 1
933 1 44 LEU QD 1 48 TYR QE . . 2.920 2.892 2.834 2.926 0.006 18 0 "[ . 1 . 2]" 1
934 1 44 LEU HG 1 45 ASN H . . 5.500 4.547 4.480 4.615 . 0 0 "[ . 1 . 2]" 1
935 1 44 LEU HG 1 48 TYR QE . . 4.870 4.949 4.924 4.967 0.097 14 0 "[ . 1 . 2]" 1
936 1 45 ASN H 1 45 ASN QB . . 3.310 2.591 2.332 2.657 . 0 0 "[ . 1 . 2]" 1
937 1 45 ASN H 1 46 ASP H . . 3.500 2.545 2.506 2.606 . 0 0 "[ . 1 . 2]" 1
938 1 45 ASN HA 1 48 TYR H . . 4.540 3.069 2.974 3.195 . 0 0 "[ . 1 . 2]" 1
939 1 45 ASN HA 1 48 TYR HA . . 5.480 5.042 4.909 5.254 . 0 0 "[ . 1 . 2]" 1
940 1 45 ASN HA 1 48 TYR HB2 . . 4.690 2.277 2.133 2.513 . 0 0 "[ . 1 . 2]" 1
941 1 45 ASN HA 1 48 TYR HB3 . . 4.530 3.957 3.803 4.202 . 0 0 "[ . 1 . 2]" 1
942 1 45 ASN HA 1 48 TYR QD . . 3.820 2.307 2.209 2.466 . 0 0 "[ . 1 . 2]" 1
943 1 45 ASN HA 1 48 TYR QE . . 4.550 4.319 4.224 4.442 . 0 0 "[ . 1 . 2]" 1
944 1 45 ASN QB 1 46 ASP H . . 3.720 2.648 2.568 3.056 . 0 0 "[ . 1 . 2]" 1
945 1 45 ASN QB 1 46 ASP HB2 . . 5.270 4.030 3.928 4.490 . 0 0 "[ . 1 . 2]" 1
946 1 45 ASN HD21 1 46 ASP H . . 4.650 3.358 3.266 4.649 . 0 0 "[ . 1 . 2]" 1
947 1 45 ASN HD21 1 48 TYR QD . . 5.290 5.454 5.310 5.504 0.214 2 0 "[ . 1 . 2]" 1
948 1 45 ASN HD22 1 48 TYR QD . . 5.500 5.340 4.997 5.383 . 0 0 "[ . 1 . 2]" 1
949 1 46 ASP H 1 46 ASP HB2 . . 3.600 2.298 2.246 2.429 . 0 0 "[ . 1 . 2]" 1
950 1 46 ASP H 1 46 ASP HB3 . . 3.430 2.706 2.584 3.526 0.096 3 0 "[ . 1 . 2]" 1
951 1 46 ASP H 1 47 TYR H . . 4.070 2.564 2.339 2.618 . 0 0 "[ . 1 . 2]" 1
952 1 46 ASP HA 1 49 ASP HB2 . . 4.140 2.631 2.517 2.674 . 0 0 "[ . 1 . 2]" 1
953 1 46 ASP HA 1 49 ASP HB3 . . 4.140 4.165 4.089 4.186 0.046 12 0 "[ . 1 . 2]" 1
954 1 46 ASP HA 1 50 LYS H . . 4.510 4.573 4.532 4.625 0.115 14 0 "[ . 1 . 2]" 1
955 1 46 ASP HA 1 50 LYS QD . . 5.050 4.029 3.136 4.383 . 0 0 "[ . 1 . 2]" 1
956 1 46 ASP HB2 1 47 TYR H . . 3.750 3.781 3.174 3.833 0.083 19 0 "[ . 1 . 2]" 1
957 1 46 ASP HB2 1 50 LYS QD . . 5.470 5.196 4.582 5.488 0.018 16 0 "[ . 1 . 2]" 1
958 1 46 ASP HB3 1 47 TYR H . . 4.210 2.860 2.697 3.946 . 0 0 "[ . 1 . 2]" 1
959 1 47 TYR H 1 47 TYR HB2 . . 3.650 2.566 2.482 2.678 . 0 0 "[ . 1 . 2]" 1
960 1 47 TYR H 1 47 TYR HB3 . . 3.610 2.407 2.380 2.431 . 0 0 "[ . 1 . 2]" 1
961 1 47 TYR H 1 47 TYR QD . . 4.340 4.168 4.155 4.182 . 0 0 "[ . 1 . 2]" 1
962 1 47 TYR H 1 48 TYR H . . 3.900 2.369 2.185 2.468 . 0 0 "[ . 1 . 2]" 1
963 1 47 TYR HA 1 47 TYR QD . . 3.460 2.917 2.814 3.007 . 0 0 "[ . 1 . 2]" 1
964 1 47 TYR HA 1 47 TYR QE . . 5.140 4.688 4.636 4.735 . 0 0 "[ . 1 . 2]" 1
965 1 47 TYR HA 1 50 LYS H . . 5.500 3.223 3.143 3.385 . 0 0 "[ . 1 . 2]" 1
966 1 47 TYR HA 1 51 GLU H . . 5.500 3.483 3.347 3.584 . 0 0 "[ . 1 . 2]" 1
967 1 47 TYR HB2 1 48 TYR H . . 3.840 3.949 3.935 3.963 0.123 19 0 "[ . 1 . 2]" 1
968 1 47 TYR HB3 1 48 TYR H . . 4.770 2.774 2.712 2.820 . 0 0 "[ . 1 . 2]" 1
969 1 47 TYR QD 1 48 TYR H . . 4.060 3.678 3.565 3.858 . 0 0 "[ . 1 . 2]" 1
970 1 47 TYR QD 1 48 TYR HA . . 4.110 3.566 3.457 3.735 . 0 0 "[ . 1 . 2]" 1
971 1 47 TYR QD 1 48 TYR QD . . 3.690 2.652 2.572 2.767 . 0 0 "[ . 1 . 2]" 1
972 1 47 TYR QD 1 48 TYR QE . . 3.720 2.820 2.612 2.951 . 0 0 "[ . 1 . 2]" 1
973 1 47 TYR QD 1 51 GLU HG2 . . 4.550 3.794 3.658 3.890 . 0 0 "[ . 1 . 2]" 1
974 1 47 TYR QD 1 51 GLU HG3 . . 4.210 2.907 2.715 3.044 . 0 0 "[ . 1 . 2]" 1
975 1 47 TYR QE 1 48 TYR QD . . 4.130 3.934 3.782 4.031 . 0 0 "[ . 1 . 2]" 1
976 1 47 TYR QE 1 48 TYR QE . . 3.470 3.480 3.471 3.495 0.025 12 0 "[ . 1 . 2]" 1
977 1 47 TYR QE 1 51 GLU HB3 . . 4.520 3.233 3.055 3.355 . 0 0 "[ . 1 . 2]" 1
978 1 47 TYR QE 1 51 GLU HG2 . . 4.320 4.308 4.174 4.355 0.035 20 0 "[ . 1 . 2]" 1
979 1 47 TYR QE 1 51 GLU HG3 . . 4.090 2.750 2.594 2.842 . 0 0 "[ . 1 . 2]" 1
980 1 48 TYR H 1 48 TYR HB3 . . 3.620 3.610 3.598 3.629 0.009 14 0 "[ . 1 . 2]" 1
981 1 48 TYR H 1 48 TYR QD . . 3.820 3.266 3.258 3.271 . 0 0 "[ . 1 . 2]" 1
982 1 48 TYR H 1 48 TYR QE . . 4.620 4.642 4.632 4.657 0.037 2 0 "[ . 1 . 2]" 1
983 1 48 TYR H 1 49 ASP H . . 3.920 2.585 2.552 2.640 . 0 0 "[ . 1 . 2]" 1
984 1 48 TYR H 1 49 ASP HA . . 5.140 5.179 5.167 5.195 0.055 2 0 "[ . 1 . 2]" 1
985 1 48 TYR HA 1 48 TYR QD . . 2.830 1.977 1.962 1.991 . 0 0 "[ . 1 . 2]" 1
986 1 48 TYR HA 1 48 TYR QE . . 4.260 4.316 4.296 4.327 0.067 14 0 "[ . 1 . 2]" 1
987 1 48 TYR HA 1 51 GLU H . . 4.930 3.801 3.725 3.866 . 0 0 "[ . 1 . 2]" 1
988 1 48 TYR HA 1 51 GLU HB2 . . 5.120 4.753 4.625 4.859 . 0 0 "[ . 1 . 2]" 1
989 1 48 TYR HA 1 52 ILE H . . 5.110 3.576 3.500 3.653 . 0 0 "[ . 1 . 2]" 1
990 1 48 TYR HA 1 52 ILE HA . . 3.320 3.360 3.336 3.388 0.068 9 0 "[ . 1 . 2]" 1
991 1 48 TYR HA 1 52 ILE HB . . 4.470 2.143 2.039 2.242 . 0 0 "[ . 1 . 2]" 1
992 1 48 TYR HA 1 52 ILE HG12 . . 5.040 4.823 4.655 4.953 . 0 0 "[ . 1 . 2]" 1
993 1 48 TYR HB2 1 49 ASP H . . 5.060 3.517 3.382 3.688 . 0 0 "[ . 1 . 2]" 1
994 1 48 TYR HB2 1 49 ASP HA . . 5.090 4.753 4.684 4.809 . 0 0 "[ . 1 . 2]" 1
995 1 48 TYR HB3 1 49 ASP H . . 4.760 4.298 4.218 4.394 . 0 0 "[ . 1 . 2]" 1
996 1 48 TYR QD 1 49 ASP H . . 4.630 4.716 4.704 4.728 0.098 3 0 "[ . 1 . 2]" 1
997 1 48 TYR QD 1 52 ILE HB . . 4.550 3.438 3.272 3.565 . 0 0 "[ . 1 . 2]" 1
998 1 48 TYR QD 1 52 ILE MD . . 3.820 3.699 3.387 3.827 0.007 13 0 "[ . 1 . 2]" 1
999 1 49 ASP H 1 49 ASP HB2 . . 3.570 2.292 2.249 2.335 . 0 0 "[ . 1 . 2]" 1
1000 1 49 ASP H 1 49 ASP HB3 . . 3.380 3.551 3.527 3.567 0.187 15 0 "[ . 1 . 2]" 1
1001 1 49 ASP H 1 50 LYS H . . 3.740 2.094 2.010 2.198 . 0 0 "[ . 1 . 2]" 1
1002 1 49 ASP H 1 50 LYS QD . . 5.500 4.834 3.227 5.123 . 0 0 "[ . 1 . 2]" 1
1003 1 49 ASP HA 1 51 GLU H . . 5.050 4.749 4.625 4.810 . 0 0 "[ . 1 . 2]" 1
1004 1 49 ASP HB2 1 50 LYS H . . 4.130 2.937 2.841 3.165 . 0 0 "[ . 1 . 2]" 1
1005 1 49 ASP HB2 1 50 LYS HB3 . . 5.090 5.218 5.120 5.247 0.157 6 0 "[ . 1 . 2]" 1
1006 1 49 ASP HB2 1 50 LYS HG3 . . 5.420 2.637 2.349 5.097 . 0 0 "[ . 1 . 2]" 1
1007 1 49 ASP HB2 1 51 GLU H . . 5.500 4.965 4.898 5.079 . 0 0 "[ . 1 . 2]" 1
1008 1 49 ASP HB3 1 50 LYS H . . 4.220 3.785 3.713 3.861 . 0 0 "[ . 1 . 2]" 1
1009 1 50 LYS H 1 50 LYS HB2 . . 3.630 2.569 2.421 3.666 0.036 14 0 "[ . 1 . 2]" 1
1010 1 50 LYS H 1 50 LYS HB3 . . 3.940 3.712 3.663 3.742 . 0 0 "[ . 1 . 2]" 1
1011 1 50 LYS H 1 50 LYS QD . . 3.990 3.919 2.543 4.061 0.071 20 0 "[ . 1 . 2]" 1
1012 1 50 LYS H 1 50 LYS HG2 . . 4.610 3.932 2.357 4.492 . 0 0 "[ . 1 . 2]" 1
1013 1 50 LYS H 1 50 LYS HG3 . . 4.600 2.922 2.750 3.909 . 0 0 "[ . 1 . 2]" 1
1014 1 50 LYS H 1 51 GLU H . . 3.620 2.063 2.009 2.112 . 0 0 "[ . 1 . 2]" 1
1015 1 50 LYS H 1 51 GLU HA . . 5.380 4.813 4.755 4.855 . 0 0 "[ . 1 . 2]" 1
1016 1 50 LYS HA 1 50 LYS QD . . 3.840 3.921 3.615 4.009 0.169 6 0 "[ . 1 . 2]" 1
1017 1 50 LYS HA 1 50 LYS QE . . 5.450 4.613 4.130 4.985 . 0 0 "[ . 1 . 2]" 1
1018 1 50 LYS HA 1 50 LYS HG2 . . 3.960 2.555 2.446 3.727 . 0 0 "[ . 1 . 2]" 1
1019 1 50 LYS HA 1 51 GLU H . . 3.510 3.444 3.340 3.475 . 0 0 "[ . 1 . 2]" 1
1020 1 50 LYS HA 1 52 ILE H . . 5.030 4.311 4.028 4.397 . 0 0 "[ . 1 . 2]" 1
1021 1 50 LYS HA 1 52 ILE MG . . 5.010 4.482 4.113 4.713 . 0 0 "[ . 1 . 2]" 1
1022 1 50 LYS HB2 1 51 GLU H . . 4.550 3.434 3.310 4.067 . 0 0 "[ . 1 . 2]" 1
1023 1 50 LYS QD 1 51 GLU H . . 5.320 5.221 4.361 5.313 . 0 0 "[ . 1 . 2]" 1
1024 1 51 GLU H 1 51 GLU HB2 . . 3.670 2.728 2.708 2.762 . 0 0 "[ . 1 . 2]" 1
1025 1 51 GLU H 1 51 GLU HB3 . . 3.900 3.848 3.837 3.869 . 0 0 "[ . 1 . 2]" 1
1026 1 51 GLU H 1 51 GLU HG2 . . 4.320 3.127 3.044 3.203 . 0 0 "[ . 1 . 2]" 1
1027 1 51 GLU H 1 52 ILE H . . 3.620 2.023 1.983 2.065 . 0 0 "[ . 1 . 2]" 1
1028 1 51 GLU H 1 52 ILE HB . . 3.950 3.787 3.753 3.831 . 0 0 "[ . 1 . 2]" 1
1029 1 51 GLU H 1 52 ILE MD . . 5.500 5.505 5.482 5.523 0.023 17 0 "[ . 1 . 2]" 1
1030 1 51 GLU HA 1 51 GLU HG2 . . 4.040 3.093 3.052 3.135 . 0 0 "[ . 1 . 2]" 1
1031 1 51 GLU HA 1 51 GLU HG3 . . 4.230 3.781 3.762 3.800 . 0 0 "[ . 1 . 2]" 1
1032 1 51 GLU HA 1 52 ILE H . . 3.220 3.211 3.189 3.229 0.009 18 0 "[ . 1 . 2]" 1
1033 1 51 GLU HB2 1 52 ILE H . . 4.540 3.834 3.780 3.871 . 0 0 "[ . 1 . 2]" 1
1034 1 51 GLU HB2 1 52 ILE HA . . 4.400 4.449 4.432 4.487 0.087 14 0 "[ . 1 . 2]" 1
1035 1 51 GLU HB3 1 52 ILE H . . 4.820 4.441 4.424 4.454 . 0 0 "[ . 1 . 2]" 1
1036 1 52 ILE H 1 52 ILE HB . . 3.590 2.467 2.429 2.508 . 0 0 "[ . 1 . 2]" 1
1037 1 52 ILE H 1 52 ILE MD . . 5.290 4.312 4.295 4.328 . 0 0 "[ . 1 . 2]" 1
1038 1 52 ILE H 1 52 ILE HG12 . . 4.420 4.468 4.453 4.489 0.069 18 0 "[ . 1 . 2]" 1
1039 1 52 ILE H 1 52 ILE MG . . 4.700 1.980 1.932 2.099 . 0 0 "[ . 1 . 2]" 1
1040 1 52 ILE HA 1 52 ILE MD . . 3.900 3.727 3.710 3.747 . 0 0 "[ . 1 . 2]" 1
1041 1 52 ILE HA 1 52 ILE HG12 . . 4.110 3.093 2.999 3.157 . 0 0 "[ . 1 . 2]" 1
1042 1 52 ILE HA 1 52 ILE HG13 . . 4.010 2.370 2.319 2.402 . 0 0 "[ . 1 . 2]" 1
1043 1 52 ILE HA 1 52 ILE MG . . 3.480 3.229 3.225 3.235 . 0 0 "[ . 1 . 2]" 1
1044 1 52 ILE HA 1 53 GLY H . . 3.110 2.301 2.261 2.346 . 0 0 "[ . 1 . 2]" 1
1045 1 52 ILE MD 1 52 ILE MG . . 2.400 2.024 2.015 2.040 . 0 0 "[ . 1 . 2]" 1
1046 1 52 ILE MD 1 53 GLY H . . 5.440 3.936 3.843 4.009 . 0 0 "[ . 1 . 2]" 1
1047 1 52 ILE HG12 1 53 GLY H . . 5.390 2.476 2.406 2.556 . 0 0 "[ . 1 . 2]" 1
1048 1 52 ILE HG13 1 52 ILE MG . . 3.530 3.242 3.234 3.245 . 0 0 "[ . 1 . 2]" 1
1049 1 52 ILE HG13 1 53 GLY H . . 5.360 2.522 2.374 2.662 . 0 0 "[ . 1 . 2]" 1
1050 1 52 ILE HG13 1 53 GLY QA . . 5.490 4.387 4.213 4.577 . 0 0 "[ . 1 . 2]" 1
1051 1 52 ILE MG 1 53 GLY H . . 4.570 3.729 3.688 3.799 . 0 0 "[ . 1 . 2]" 1
1052 1 52 ILE MG 1 53 GLY QA . . 4.640 4.110 3.634 4.211 . 0 0 "[ . 1 . 2]" 1
1053 1 53 GLY H 1 54 THR H . . 3.750 2.655 1.840 3.843 0.093 16 0 "[ . 1 . 2]" 1
1054 1 53 GLY QA 1 54 THR H . . 3.270 2.927 2.107 2.990 . 0 0 "[ . 1 . 2]" 1
1055 1 53 GLY QA 1 54 THR HB . . 4.010 4.020 3.982 4.041 0.031 10 0 "[ . 1 . 2]" 1
1056 1 53 GLY QA 1 54 THR MG . . 5.190 3.816 3.501 3.969 . 0 0 "[ . 1 . 2]" 1
1057 1 54 THR H 1 54 THR HB . . 3.900 3.380 3.311 3.425 . 0 0 "[ . 1 . 2]" 1
1058 1 54 THR H 1 54 THR MG . . 4.270 2.458 2.395 2.524 . 0 0 "[ . 1 . 2]" 1
1059 1 54 THR H 1 55 PHE QD . . 5.470 5.073 4.229 5.525 0.055 19 0 "[ . 1 . 2]" 1
1060 1 54 THR HA 1 54 THR HB . . 2.470 2.472 2.454 2.492 0.022 19 0 "[ . 1 . 2]" 1
1061 1 54 THR HA 1 54 THR MG . . 3.500 3.236 3.233 3.239 . 0 0 "[ . 1 . 2]" 1
1062 1 54 THR HA 1 55 PHE H . . 3.120 2.415 2.355 2.527 . 0 0 "[ . 1 . 2]" 1
1063 1 54 THR HB 1 55 PHE H . . 3.850 3.849 3.815 3.878 0.028 3 0 "[ . 1 . 2]" 1
1064 1 54 THR MG 1 55 PHE H . . 4.840 3.393 3.209 3.530 . 0 0 "[ . 1 . 2]" 1
1065 1 55 PHE H 1 55 PHE HB2 . . 3.820 2.754 2.519 3.319 . 0 0 "[ . 1 . 2]" 1
1066 1 55 PHE H 1 55 PHE HB3 . . 3.650 3.492 2.833 3.764 0.114 8 0 "[ . 1 . 2]" 1
1067 1 55 PHE H 1 55 PHE QD . . 5.140 3.359 2.771 4.492 . 0 0 "[ . 1 . 2]" 1
1068 1 55 PHE H 1 56 THR H . . 3.750 2.167 1.760 3.886 0.136 3 0 "[ . 1 . 2]" 1
1069 1 55 PHE H 1 56 THR HA . . 5.080 4.648 4.191 4.874 . 0 0 "[ . 1 . 2]" 1
1070 1 55 PHE HA 1 55 PHE QD . . 3.440 2.631 1.969 2.800 . 0 0 "[ . 1 . 2]" 1
1071 1 55 PHE HA 1 55 PHE QE . . 4.410 4.477 4.233 4.526 0.116 5 0 "[ . 1 . 2]" 1
1072 1 55 PHE HA 1 56 THR H . . 3.180 3.106 2.115 3.301 0.121 1 0 "[ . 1 . 2]" 1
1073 1 55 PHE HA 1 56 THR MG . . 5.250 4.600 3.785 4.890 . 0 0 "[ . 1 . 2]" 1
1074 1 55 PHE HB2 1 56 THR H . . 4.540 3.876 3.531 4.536 . 0 0 "[ . 1 . 2]" 1
1075 1 55 PHE HB3 1 56 THR H . . 4.640 4.214 3.528 4.409 . 0 0 "[ . 1 . 2]" 1
1076 1 55 PHE QD 1 56 THR H . . 4.490 4.504 3.816 4.624 0.134 12 0 "[ . 1 . 2]" 1
1077 1 56 THR H 1 56 THR HB . . 4.100 3.490 3.130 3.876 . 0 0 "[ . 1 . 2]" 1
1078 1 56 THR H 1 56 THR MG . . 4.350 2.530 2.156 3.030 . 0 0 "[ . 1 . 2]" 1
1079 1 56 THR HA 1 56 THR HB . . 2.410 2.451 2.429 2.467 0.057 5 0 "[ . 1 . 2]" 1
1080 1 56 THR HA 1 56 THR MG . . 3.630 2.880 2.327 3.235 . 0 0 "[ . 1 . 2]" 1
1081 1 56 THR HA 1 57 ASP H . . 3.060 2.416 2.330 2.588 . 0 0 "[ . 1 . 2]" 1
1082 1 56 THR HA 1 57 ASP HA . . 4.460 4.460 4.320 4.524 0.064 3 0 "[ . 1 . 2]" 1
1083 1 56 THR HB 1 57 ASP H . . 4.020 3.250 2.240 3.920 . 0 0 "[ . 1 . 2]" 1
1084 1 56 THR MG 1 57 ASP H . . 5.140 3.511 3.127 3.720 . 0 0 "[ . 1 . 2]" 1
1085 1 56 THR MG 1 58 GLU H . . 5.500 3.959 1.755 5.298 . 0 0 "[ . 1 . 2]" 1
1086 1 57 ASP H 1 57 ASP HB2 . . 3.950 3.150 2.432 3.928 . 0 0 "[ . 1 . 2]" 1
1087 1 57 ASP H 1 57 ASP HB3 . . 3.700 3.149 2.684 3.758 0.058 12 0 "[ . 1 . 2]" 1
1088 1 57 ASP HA 1 58 GLU H . . 3.300 2.964 2.276 3.285 . 0 0 "[ . 1 . 2]" 1
1089 1 57 ASP HA 1 58 GLU HA . . 4.360 4.438 4.342 4.507 0.147 1 0 "[ . 1 . 2]" 1
1090 1 57 ASP HB2 1 58 GLU H . . 4.700 4.121 2.531 4.538 . 0 0 "[ . 1 . 2]" 1
1091 1 57 ASP HB3 1 58 GLU H . . 4.970 4.060 2.504 4.537 . 0 0 "[ . 1 . 2]" 1
1092 1 58 GLU H 1 58 GLU HB3 . . 3.740 3.400 2.809 3.813 0.073 11 0 "[ . 1 . 2]" 1
1093 1 58 GLU H 1 58 GLU HG2 . . 4.930 3.649 2.305 5.005 0.075 19 0 "[ . 1 . 2]" 1
1094 1 58 GLU HA 1 59 VAL H . . 3.300 2.489 2.288 3.241 . 0 0 "[ . 1 . 2]" 1
1095 1 58 GLU HA 1 59 VAL HA . . 4.610 4.514 4.477 4.543 . 0 0 "[ . 1 . 2]" 1
1096 1 58 GLU HB2 1 58 GLU HG2 . . 2.970 2.866 2.451 3.040 0.070 20 0 "[ . 1 . 2]" 1
1097 1 58 GLU HB3 1 59 VAL H . . 5.500 3.460 2.450 4.459 . 0 0 "[ . 1 . 2]" 1
1098 1 59 VAL H 1 59 VAL MG2 . . 4.760 2.975 2.239 3.969 . 0 0 "[ . 1 . 2]" 1
stop_
save_