NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
381889 |
1j8i   |
5042 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1j8i
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 1196
_Distance_constraint_stats_list.Viol_count 1194
_Distance_constraint_stats_list.Viol_total 979.287
_Distance_constraint_stats_list.Viol_max 0.416
_Distance_constraint_stats_list.Viol_rms 0.0139
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0410
_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 1 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLY 0.048 0.030 4 0 "[ . 1 . 2]"
1 3 SER 1.139 0.117 20 0 "[ . 1 . 2]"
1 4 GLU 1.058 0.290 14 0 "[ . 1 . 2]"
1 5 VAL 1.976 0.290 14 0 "[ . 1 . 2]"
1 6 SER 0.831 0.101 19 0 "[ . 1 . 2]"
1 7 ASP 1.776 0.201 7 0 "[ . 1 . 2]"
1 8 LYS 1.679 0.235 16 0 "[ . 1 . 2]"
1 9 ARG 1.268 0.235 16 0 "[ . 1 . 2]"
1 10 THR 0.265 0.076 8 0 "[ . 1 . 2]"
1 11 CYS 0.371 0.056 19 0 "[ . 1 . 2]"
1 12 VAL 1.102 0.167 20 0 "[ . 1 . 2]"
1 13 SER 0.640 0.167 20 0 "[ . 1 . 2]"
1 14 LEU 1.291 0.064 15 0 "[ . 1 . 2]"
1 15 THR 0.377 0.073 18 0 "[ . 1 . 2]"
1 16 THR 0.409 0.073 18 0 "[ . 1 . 2]"
1 17 GLN 0.574 0.065 15 0 "[ . 1 . 2]"
1 18 ARG 0.476 0.059 7 0 "[ . 1 . 2]"
1 19 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PRO 0.387 0.083 14 0 "[ . 1 . 2]"
1 21 VAL 1.378 0.322 16 0 "[ . 1 . 2]"
1 22 SER 4.243 0.322 16 0 "[ . 1 . 2]"
1 23 ARG 0.736 0.141 3 0 "[ . 1 . 2]"
1 24 ILE 0.459 0.142 7 0 "[ . 1 . 2]"
1 25 LYS 2.109 0.265 11 0 "[ . 1 . 2]"
1 26 THR 1.050 0.204 11 0 "[ . 1 . 2]"
1 27 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 0.256 0.083 6 0 "[ . 1 . 2]"
1 29 ILE 0.170 0.050 7 0 "[ . 1 . 2]"
1 30 THR 0.066 0.052 19 0 "[ . 1 . 2]"
1 31 GLU 2.377 0.175 19 0 "[ . 1 . 2]"
1 32 GLY 2.724 0.157 6 0 "[ . 1 . 2]"
1 33 SER 0.539 0.157 6 0 "[ . 1 . 2]"
1 34 LEU 2.287 0.149 16 0 "[ . 1 . 2]"
1 35 ARG 0.626 0.175 19 0 "[ . 1 . 2]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 VAL 0.441 0.075 4 0 "[ . 1 . 2]"
1 38 ILE 0.480 0.086 19 0 "[ . 1 . 2]"
1 39 PHE 0.003 0.003 15 0 "[ . 1 . 2]"
1 40 ILE 0.705 0.091 19 0 "[ . 1 . 2]"
1 41 THR 0.738 0.099 10 0 "[ . 1 . 2]"
1 42 LYS 0.652 0.071 7 0 "[ . 1 . 2]"
1 43 ARG 0.131 0.040 18 0 "[ . 1 . 2]"
1 44 GLY 0.386 0.025 1 0 "[ . 1 . 2]"
1 45 LEU 1.289 0.099 10 0 "[ . 1 . 2]"
1 46 LYS 0.315 0.074 11 0 "[ . 1 . 2]"
1 47 VAL 0.675 0.091 19 0 "[ . 1 . 2]"
1 48 CYS 0.881 0.086 19 0 "[ . 1 . 2]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASP 0.495 0.064 15 0 "[ . 1 . 2]"
1 51 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLN 1.119 0.218 20 0 "[ . 1 . 2]"
1 53 ALA 0.224 0.044 20 0 "[ . 1 . 2]"
1 54 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 TRP 0.063 0.022 7 0 "[ . 1 . 2]"
1 56 VAL 1.089 0.125 14 0 "[ . 1 . 2]"
1 57 ARG 1.155 0.115 5 0 "[ . 1 . 2]"
1 58 ASP 2.393 0.171 5 0 "[ . 1 . 2]"
1 59 VAL 2.107 0.125 14 0 "[ . 1 . 2]"
1 60 VAL 1.344 0.093 5 0 "[ . 1 . 2]"
1 61 ARG 1.311 0.237 13 0 "[ . 1 . 2]"
1 62 SER 0.458 0.042 17 0 "[ . 1 . 2]"
1 63 MET 2.225 0.416 18 0 "[ . 1 . 2]"
1 64 ASP 1.045 0.416 18 0 "[ . 1 . 2]"
1 65 ARG 0.577 0.115 18 0 "[ . 1 . 2]"
1 66 LYS 0.370 0.087 5 0 "[ . 1 . 2]"
1 67 SER 0.965 0.251 18 0 "[ . 1 . 2]"
1 68 ASN 2.579 0.144 13 0 "[ . 1 . 2]"
1 69 THR 0.941 0.105 1 0 "[ . 1 . 2]"
1 70 ARG 1.535 0.231 10 0 "[ . 1 . 2]"
1 71 ASN 0.348 0.108 7 0 "[ . 1 . 2]"
1 72 ASN 1.077 0.200 13 0 "[ . 1 . 2]"
1 73 MET 1.146 0.390 17 0 "[ . 1 . 2]"
1 74 ILE 0.279 0.122 8 0 "[ . 1 . 2]"
1 75 GLN 0.421 0.197 8 0 "[ . 1 . 2]"
1 76 THR 0.332 0.197 8 0 "[ . 1 . 2]"
1 77 LYS 0.252 0.088 17 0 "[ . 1 . 2]"
1 78 PRO 0.018 0.011 17 0 "[ . 1 . 2]"
1 79 THR 1.071 0.117 8 0 "[ . 1 . 2]"
1 80 GLY 0.894 0.117 8 0 "[ . 1 . 2]"
1 81 THR 0.898 0.159 7 0 "[ . 1 . 2]"
1 82 GLN 0.699 0.159 7 0 "[ . 1 . 2]"
1 83 GLN 0.271 0.174 6 0 "[ . 1 . 2]"
1 84 SER 0.006 0.004 17 0 "[ . 1 . 2]"
1 85 THR 0.033 0.028 10 0 "[ . 1 . 2]"
1 86 ASN 0.093 0.028 10 0 "[ . 1 . 2]"
1 87 THR 0.002 0.002 14 0 "[ . 1 . 2]"
1 88 ALA 0.141 0.069 9 0 "[ . 1 . 2]"
1 89 VAL 0.155 0.069 9 0 "[ . 1 . 2]"
1 90 THR 0.023 0.015 7 0 "[ . 1 . 2]"
1 91 LEU 0.471 0.074 4 0 "[ . 1 . 2]"
1 92 THR 1.400 0.151 4 0 "[ . 1 . 2]"
1 93 GLY 0.262 0.102 11 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 1 VAL QG 1 2 GLY QA . . 8.040 3.329 2.889 4.160 . 0 0 "[ . 1 . 2]" 1
2 1 1 VAL MG1 1 2 GLY HA2 . . 12.770 4.501 3.337 5.832 . 0 0 "[ . 1 . 2]" 1
3 1 1 VAL MG1 1 2 GLY HA3 . . 12.770 4.234 3.201 5.758 . 0 0 "[ . 1 . 2]" 1
4 1 1 VAL MG2 1 2 GLY HA2 . . 12.770 4.924 3.527 6.068 . 0 0 "[ . 1 . 2]" 1
5 1 1 VAL MG2 1 2 GLY HA3 . . 12.770 4.820 3.097 5.875 . 0 0 "[ . 1 . 2]" 1
6 1 2 GLY QA 1 3 SER H . . 2.890 2.248 2.192 2.333 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLY HA2 1 3 SER H . . 3.110 2.646 2.237 3.123 0.013 17 0 "[ . 1 . 2]" 1
8 1 2 GLY HA3 1 3 SER H . . 3.110 2.663 2.244 3.140 0.030 4 0 "[ . 1 . 2]" 1
9 1 3 SER H 1 3 SER HB2 . . 3.760 2.800 2.037 3.723 . 0 0 "[ . 1 . 2]" 1
10 1 3 SER H 1 3 SER HB3 . . 3.760 3.567 3.240 3.861 0.101 3 0 "[ . 1 . 2]" 1
11 1 3 SER HA 1 3 SER HB2 . . 2.900 2.890 2.711 3.017 0.117 20 0 "[ . 1 . 2]" 1
12 1 3 SER HA 1 3 SER HB3 . . 2.900 2.746 2.269 3.002 0.102 7 0 "[ . 1 . 2]" 1
13 1 3 SER HA 1 4 GLU QG . . 6.380 4.754 3.560 5.879 . 0 0 "[ . 1 . 2]" 1
14 1 3 SER QB 1 4 GLU QB . . 6.320 4.153 2.898 4.769 . 0 0 "[ . 1 . 2]" 1
15 1 3 SER HB2 1 4 GLU H . . 3.790 3.539 2.567 3.794 0.004 15 0 "[ . 1 . 2]" 1
16 1 3 SER HB2 1 4 GLU HB2 . . 7.250 6.196 4.458 7.230 . 0 0 "[ . 1 . 2]" 1
17 1 3 SER HB2 1 4 GLU HB3 . . 7.250 6.166 4.753 6.985 . 0 0 "[ . 1 . 2]" 1
18 1 3 SER HB2 1 5 VAL QG . . 7.620 4.886 3.879 5.636 . 0 0 "[ . 1 . 2]" 1
19 1 3 SER HB3 1 4 GLU H . . 3.790 2.583 1.944 3.846 0.056 4 0 "[ . 1 . 2]" 1
20 1 3 SER HB3 1 4 GLU HB2 . . 7.250 5.141 2.986 7.270 0.020 4 0 "[ . 1 . 2]" 1
21 1 3 SER HB3 1 4 GLU HB3 . . 7.250 5.146 3.390 6.333 . 0 0 "[ . 1 . 2]" 1
22 1 3 SER HB3 1 5 VAL QG . . 7.620 4.457 3.169 5.483 . 0 0 "[ . 1 . 2]" 1
23 1 4 GLU H 1 4 GLU QB . . 3.090 2.493 2.049 2.900 . 0 0 "[ . 1 . 2]" 1
24 1 4 GLU H 1 4 GLU HG2 . . 4.260 2.940 1.930 4.305 0.045 14 0 "[ . 1 . 2]" 1
25 1 4 GLU H 1 4 GLU HG3 . . 4.260 3.486 2.593 4.169 . 0 0 "[ . 1 . 2]" 1
26 1 4 GLU HA 1 5 VAL H . . 2.650 2.427 2.212 2.940 0.290 14 0 "[ . 1 . 2]" 1
27 1 4 GLU HA 1 5 VAL QG . . 7.620 3.744 2.974 4.432 . 0 0 "[ . 1 . 2]" 1
28 1 4 GLU QB 1 5 VAL H . . 4.030 2.928 2.034 3.871 . 0 0 "[ . 1 . 2]" 1
29 1 4 GLU HB2 1 5 VAL H . . 4.260 3.521 2.205 4.428 0.168 14 0 "[ . 1 . 2]" 1
30 1 4 GLU HB2 1 5 VAL QG . . 7.620 4.405 2.717 5.229 . 0 0 "[ . 1 . 2]" 1
31 1 4 GLU HB3 1 5 VAL H . . 4.260 3.575 2.046 4.380 0.120 9 0 "[ . 1 . 2]" 1
32 1 4 GLU HB3 1 5 VAL QG . . 7.620 4.559 2.589 5.706 . 0 0 "[ . 1 . 2]" 1
33 1 4 GLU HG2 1 5 VAL H . . 5.500 4.094 2.022 5.392 . 0 0 "[ . 1 . 2]" 1
34 1 4 GLU HG2 1 5 VAL QG . . 7.620 4.514 1.952 5.742 . 0 0 "[ . 1 . 2]" 1
35 1 4 GLU HG3 1 5 VAL H . . 5.500 4.418 3.599 5.258 . 0 0 "[ . 1 . 2]" 1
36 1 4 GLU HG3 1 5 VAL QG . . 7.620 4.827 2.372 5.653 . 0 0 "[ . 1 . 2]" 1
37 1 5 VAL H 1 5 VAL HB . . 3.020 2.881 2.634 3.110 0.090 17 0 "[ . 1 . 2]" 1
38 1 5 VAL HA 1 6 SER H . . 2.740 2.444 2.287 2.694 . 0 0 "[ . 1 . 2]" 1
39 1 5 VAL HA 1 6 SER QB . . 4.830 4.270 4.070 4.418 . 0 0 "[ . 1 . 2]" 1
40 1 5 VAL HA 1 7 ASP H . . 3.080 3.064 2.838 3.281 0.201 7 0 "[ . 1 . 2]" 1
41 1 5 VAL HA 1 8 LYS H . . 3.300 3.290 2.929 3.388 0.088 7 0 "[ . 1 . 2]" 1
42 1 5 VAL QG 1 6 SER H . . 7.310 2.640 1.862 3.723 . 0 0 "[ . 1 . 2]" 1
43 1 5 VAL QG 1 7 ASP H . . 7.620 3.548 2.912 3.909 . 0 0 "[ . 1 . 2]" 1
44 1 5 VAL QG 1 7 ASP QB . . 8.500 4.648 3.290 5.390 . 0 0 "[ . 1 . 2]" 1
45 1 6 SER H 1 6 SER QB . . 3.750 2.767 2.005 3.204 . 0 0 "[ . 1 . 2]" 1
46 1 6 SER QB 1 7 ASP HA . . 4.860 4.094 3.905 4.315 . 0 0 "[ . 1 . 2]" 1
47 1 6 SER HB2 1 7 ASP H . . 3.790 3.794 3.319 3.891 0.101 19 0 "[ . 1 . 2]" 1
48 1 6 SER HB3 1 7 ASP H . . 3.790 3.446 3.141 3.789 . 0 0 "[ . 1 . 2]" 1
49 1 7 ASP H 1 7 ASP QB . . 3.570 2.344 2.084 2.745 . 0 0 "[ . 1 . 2]" 1
50 1 7 ASP H 1 8 LYS H . . 3.050 2.003 1.787 2.421 . 0 0 "[ . 1 . 2]" 1
51 1 7 ASP H 1 8 LYS HG2 . . 5.470 4.284 3.031 5.640 0.170 7 0 "[ . 1 . 2]" 1
52 1 7 ASP H 1 8 LYS QG . . 5.300 3.974 2.916 4.828 . 0 0 "[ . 1 . 2]" 1
53 1 7 ASP H 1 8 LYS HG3 . . 5.470 5.052 3.547 5.477 0.007 4 0 "[ . 1 . 2]" 1
54 1 7 ASP QB 1 8 LYS H . . 3.380 2.764 2.469 3.245 . 0 0 "[ . 1 . 2]" 1
55 1 7 ASP HB2 1 8 LYS H . . 3.670 3.091 2.509 3.650 . 0 0 "[ . 1 . 2]" 1
56 1 7 ASP HB3 1 8 LYS H . . 3.670 3.254 2.622 3.697 0.027 16 0 "[ . 1 . 2]" 1
57 1 8 LYS H 1 8 LYS QB . . 3.730 2.696 2.117 3.453 . 0 0 "[ . 1 . 2]" 1
58 1 8 LYS H 1 8 LYS HG2 . . 4.570 3.082 1.909 4.173 . 0 0 "[ . 1 . 2]" 1
59 1 8 LYS H 1 8 LYS QG . . 4.390 2.855 1.869 3.866 . 0 0 "[ . 1 . 2]" 1
60 1 8 LYS H 1 8 LYS HG3 . . 4.570 3.724 2.606 4.568 . 0 0 "[ . 1 . 2]" 1
61 1 8 LYS QB 1 9 ARG H . . 3.900 2.377 1.892 3.640 . 0 0 "[ . 1 . 2]" 1
62 1 8 LYS QD 1 9 ARG H . . 5.730 4.084 2.260 5.023 . 0 0 "[ . 1 . 2]" 1
63 1 8 LYS HG2 1 9 ARG H . . 3.830 3.603 2.206 4.065 0.235 16 0 "[ . 1 . 2]" 1
64 1 8 LYS HG3 1 9 ARG H . . 3.830 3.174 1.950 3.979 0.149 17 0 "[ . 1 . 2]" 1
65 1 9 ARG H 1 9 ARG HB2 . . 2.870 2.640 2.118 2.894 0.024 11 0 "[ . 1 . 2]" 1
66 1 9 ARG H 1 9 ARG HB3 . . 2.870 2.855 2.690 2.924 0.054 13 0 "[ . 1 . 2]" 1
67 1 9 ARG H 1 9 ARG QD . . 5.170 4.329 3.545 4.672 . 0 0 "[ . 1 . 2]" 1
68 1 9 ARG H 1 9 ARG QG . . 4.950 4.072 3.777 4.220 . 0 0 "[ . 1 . 2]" 1
69 1 9 ARG H 1 10 THR H . . 3.020 2.548 2.310 3.096 0.076 8 0 "[ . 1 . 2]" 1
70 1 9 ARG HA 1 9 ARG QD . . 4.300 3.006 2.138 3.860 . 0 0 "[ . 1 . 2]" 1
71 1 9 ARG QB 1 9 ARG QD . . 3.460 2.144 1.955 2.292 . 0 0 "[ . 1 . 2]" 1
72 1 9 ARG QB 1 10 THR MG . . 6.630 4.575 4.306 4.803 . 0 0 "[ . 1 . 2]" 1
73 1 9 ARG HB2 1 9 ARG QD . . 3.650 2.507 2.102 3.293 . 0 0 "[ . 1 . 2]" 1
74 1 9 ARG HB2 1 10 THR H . . 3.700 3.320 3.082 3.449 . 0 0 "[ . 1 . 2]" 1
75 1 9 ARG HB3 1 9 ARG QD . . 3.650 2.797 1.974 3.325 . 0 0 "[ . 1 . 2]" 1
76 1 9 ARG HB3 1 10 THR H . . 3.700 1.995 1.909 2.309 . 0 0 "[ . 1 . 2]" 1
77 1 9 ARG QG 1 10 THR H . . 6.380 3.707 3.299 4.208 . 0 0 "[ . 1 . 2]" 1
78 1 10 THR H 1 10 THR HB . . 2.900 2.572 2.219 2.952 0.052 16 0 "[ . 1 . 2]" 1
79 1 10 THR H 1 11 CYS H . . 3.300 2.293 1.858 3.329 0.029 11 0 "[ . 1 . 2]" 1
80 1 10 THR H 1 38 ILE MD . . 6.160 5.063 4.958 5.191 . 0 0 "[ . 1 . 2]" 1
81 1 10 THR HA 1 10 THR MG . . 3.430 2.551 2.064 2.853 . 0 0 "[ . 1 . 2]" 1
82 1 10 THR HB 1 11 CYS H . . 3.020 2.613 1.915 3.014 . 0 0 "[ . 1 . 2]" 1
83 1 10 THR MG 1 11 CYS H . . 4.920 2.942 1.910 3.549 . 0 0 "[ . 1 . 2]" 1
84 1 10 THR MG 1 11 CYS QB . . 7.400 2.829 2.339 3.859 . 0 0 "[ . 1 . 2]" 1
85 1 10 THR MG 1 48 CYS HA . . 5.570 4.318 3.976 4.641 . 0 0 "[ . 1 . 2]" 1
86 1 10 THR MG 1 48 CYS HB2 . . 6.000 4.436 3.307 4.835 . 0 0 "[ . 1 . 2]" 1
87 1 10 THR MG 1 48 CYS QB . . 5.720 3.475 2.345 4.040 . 0 0 "[ . 1 . 2]" 1
88 1 10 THR MG 1 48 CYS HB3 . . 6.000 3.658 2.398 4.346 . 0 0 "[ . 1 . 2]" 1
89 1 11 CYS CB 1 48 CYS CB . . 3.990 3.926 3.718 4.028 0.038 11 0 "[ . 1 . 2]" 1
90 1 11 CYS H 1 38 ILE MD . . 6.220 4.405 4.075 4.976 . 0 0 "[ . 1 . 2]" 1
91 1 11 CYS HA 1 12 VAL H . . 3.050 2.946 2.546 3.106 0.056 19 0 "[ . 1 . 2]" 1
92 1 11 CYS QB 1 12 VAL H . . 5.070 2.142 1.846 3.206 . 0 0 "[ . 1 . 2]" 1
93 1 11 CYS QB 1 48 CYS HB2 . . 6.380 3.997 2.831 4.460 . 0 0 "[ . 1 . 2]" 1
94 1 11 CYS QB 1 48 CYS QB . . 6.180 3.318 2.534 3.783 . 0 0 "[ . 1 . 2]" 1
95 1 11 CYS QB 1 48 CYS HB3 . . 6.380 3.850 2.558 4.522 . 0 0 "[ . 1 . 2]" 1
96 1 11 CYS SG 1 48 CYS SG . . 2.100 2.024 1.990 2.102 0.002 4 0 "[ . 1 . 2]" 1
97 1 12 VAL H 1 12 VAL HB . . 3.390 2.687 2.322 3.450 0.060 2 0 "[ . 1 . 2]" 1
98 1 12 VAL H 1 13 SER H . . 2.990 2.817 2.385 3.157 0.167 20 0 "[ . 1 . 2]" 1
99 1 12 VAL H 1 47 VAL HA . . 4.170 4.157 3.814 4.205 0.035 5 0 "[ . 1 . 2]" 1
100 1 12 VAL HB 1 13 SER H . . 3.420 2.195 1.937 3.538 0.118 9 0 "[ . 1 . 2]" 1
101 1 12 VAL QG 1 13 SER H . . 6.660 2.330 1.630 2.738 . 0 0 "[ . 1 . 2]" 1
102 1 12 VAL QG 1 13 SER HA . . 7.620 3.696 3.140 4.344 . 0 0 "[ . 1 . 2]" 1
103 1 12 VAL QG 1 13 SER QB . . 8.500 2.901 2.146 3.738 . 0 0 "[ . 1 . 2]" 1
104 1 13 SER HA 1 14 LEU QD . . 7.290 4.576 4.205 4.725 . 0 0 "[ . 1 . 2]" 1
105 1 13 SER HA 1 14 LEU HG . . 4.480 4.277 3.907 4.528 0.048 10 0 "[ . 1 . 2]" 1
106 1 13 SER QB 1 14 LEU H . . 4.240 2.065 1.921 2.507 . 0 0 "[ . 1 . 2]" 1
107 1 14 LEU H 1 14 LEU QB . . 3.670 2.309 2.213 2.886 . 0 0 "[ . 1 . 2]" 1
108 1 14 LEU H 1 14 LEU MD1 . . 5.540 4.064 3.403 4.274 . 0 0 "[ . 1 . 2]" 1
109 1 14 LEU H 1 14 LEU QD . . 5.130 3.633 3.039 3.738 . 0 0 "[ . 1 . 2]" 1
110 1 14 LEU H 1 14 LEU MD2 . . 5.540 4.095 3.419 4.262 . 0 0 "[ . 1 . 2]" 1
111 1 14 LEU H 1 14 LEU HG . . 3.640 3.406 2.062 3.672 0.032 15 0 "[ . 1 . 2]" 1
112 1 14 LEU HA 1 14 LEU HB2 . . 3.020 2.941 2.405 3.017 . 0 0 "[ . 1 . 2]" 1
113 1 14 LEU HA 1 14 LEU HB3 . . 3.020 2.662 2.426 2.730 . 0 0 "[ . 1 . 2]" 1
114 1 14 LEU HA 1 14 LEU HG . . 3.890 2.790 2.586 3.685 . 0 0 "[ . 1 . 2]" 1
115 1 14 LEU HA 1 15 THR H . . 2.960 2.221 2.190 2.334 . 0 0 "[ . 1 . 2]" 1
116 1 14 LEU HA 1 49 ALA MB . . 5.810 4.403 4.136 4.749 . 0 0 "[ . 1 . 2]" 1
117 1 14 LEU QB 1 14 LEU HG . . 2.560 2.379 2.330 2.481 . 0 0 "[ . 1 . 2]" 1
118 1 14 LEU QB 1 15 THR H . . 4.920 3.648 2.758 3.856 . 0 0 "[ . 1 . 2]" 1
119 1 14 LEU QB 1 50 ASP H . . 4.550 3.262 2.850 3.375 . 0 0 "[ . 1 . 2]" 1
120 1 14 LEU HB2 1 14 LEU HG . . 2.990 2.507 2.422 3.000 0.010 10 0 "[ . 1 . 2]" 1
121 1 14 LEU HB2 1 50 ASP H . . 5.040 4.952 2.877 5.104 0.064 15 0 "[ . 1 . 2]" 1
122 1 14 LEU HB3 1 14 LEU HG . . 2.990 3.012 2.646 3.032 0.042 3 0 "[ . 1 . 2]" 1
123 1 14 LEU HB3 1 50 ASP H . . 5.040 3.391 3.292 4.614 . 0 0 "[ . 1 . 2]" 1
124 1 14 LEU QD 1 15 THR H . . 6.050 3.257 2.855 3.922 . 0 0 "[ . 1 . 2]" 1
125 1 14 LEU QD 1 37 VAL H . . 7.510 3.793 3.369 5.215 . 0 0 "[ . 1 . 2]" 1
126 1 14 LEU QD 1 48 CYS QB . . 6.700 2.373 1.847 4.213 . 0 0 "[ . 1 . 2]" 1
127 1 14 LEU QD 1 50 ASP H . . 5.340 2.877 2.415 3.488 . 0 0 "[ . 1 . 2]" 1
128 1 14 LEU QD 1 50 ASP HA . . 6.210 2.729 2.269 3.141 . 0 0 "[ . 1 . 2]" 1
129 1 14 LEU QD 1 50 ASP QB . . 5.270 3.149 2.027 3.446 . 0 0 "[ . 1 . 2]" 1
130 1 14 LEU QD 1 51 PRO QD . . 5.920 3.493 3.071 3.913 . 0 0 "[ . 1 . 2]" 1
131 1 14 LEU QD 1 56 VAL MG1 . . 9.130 5.236 5.001 5.375 . 0 0 "[ . 1 . 2]" 1
132 1 14 LEU MD1 1 15 THR H . . 6.530 5.230 4.012 5.474 . 0 0 "[ . 1 . 2]" 1
133 1 14 LEU MD1 1 48 CYS HB2 . . 8.640 4.878 4.436 5.759 . 0 0 "[ . 1 . 2]" 1
134 1 14 LEU MD1 1 48 CYS HB3 . . 8.640 5.332 4.478 6.752 . 0 0 "[ . 1 . 2]" 1
135 1 14 LEU MD1 1 49 ALA HA . . 5.570 4.518 3.090 4.655 . 0 0 "[ . 1 . 2]" 1
136 1 14 LEU MD1 1 50 ASP H . . 5.690 4.088 2.430 4.332 . 0 0 "[ . 1 . 2]" 1
137 1 14 LEU MD1 1 50 ASP HB2 . . 6.920 3.709 2.058 4.137 . 0 0 "[ . 1 . 2]" 1
138 1 14 LEU MD1 1 50 ASP HB3 . . 6.920 4.384 3.359 4.606 . 0 0 "[ . 1 . 2]" 1
139 1 14 LEU MD1 1 51 PRO HD2 . . 6.530 4.703 4.207 5.144 . 0 0 "[ . 1 . 2]" 1
140 1 14 LEU MD1 1 51 PRO HD3 . . 6.530 4.582 3.999 5.203 . 0 0 "[ . 1 . 2]" 1
141 1 14 LEU MD2 1 15 THR H . . 6.530 3.364 2.880 5.525 . 0 0 "[ . 1 . 2]" 1
142 1 14 LEU MD2 1 48 CYS HB2 . . 8.640 2.570 1.866 5.014 . 0 0 "[ . 1 . 2]" 1
143 1 14 LEU MD2 1 48 CYS HB3 . . 8.640 3.054 2.041 5.172 . 0 0 "[ . 1 . 2]" 1
144 1 14 LEU MD2 1 49 ALA HA . . 5.570 2.402 1.993 4.634 . 0 0 "[ . 1 . 2]" 1
145 1 14 LEU MD2 1 50 ASP H . . 5.690 3.040 2.470 4.219 . 0 0 "[ . 1 . 2]" 1
146 1 14 LEU MD2 1 50 ASP HB2 . . 6.920 3.820 3.202 4.347 . 0 0 "[ . 1 . 2]" 1
147 1 14 LEU MD2 1 50 ASP HB3 . . 6.920 4.667 4.008 5.396 . 0 0 "[ . 1 . 2]" 1
148 1 14 LEU MD2 1 51 PRO HD2 . . 6.530 4.726 4.280 5.116 . 0 0 "[ . 1 . 2]" 1
149 1 14 LEU MD2 1 51 PRO HD3 . . 6.530 3.986 3.439 4.730 . 0 0 "[ . 1 . 2]" 1
150 1 15 THR H 1 15 THR HA . . 2.560 2.234 2.224 2.265 . 0 0 "[ . 1 . 2]" 1
151 1 15 THR H 1 48 CYS H . . 4.380 4.066 3.748 4.395 0.015 4 0 "[ . 1 . 2]" 1
152 1 15 THR H 1 49 ALA HA . . 3.610 2.461 1.924 2.939 . 0 0 "[ . 1 . 2]" 1
153 1 15 THR H 1 49 ALA MB . . 6.370 3.269 2.961 3.621 . 0 0 "[ . 1 . 2]" 1
154 1 15 THR HA 1 17 GLN H . . 3.580 3.131 2.947 3.475 . 0 0 "[ . 1 . 2]" 1
155 1 15 THR HA 1 49 ALA MB . . 5.070 2.964 2.415 3.416 . 0 0 "[ . 1 . 2]" 1
156 1 15 THR HB 1 16 THR H . . 3.420 1.945 1.866 2.028 . 0 0 "[ . 1 . 2]" 1
157 1 15 THR HB 1 16 THR HB . . 3.920 3.923 3.867 3.993 0.073 18 0 "[ . 1 . 2]" 1
158 1 15 THR MG 1 16 THR H . . 5.320 2.052 1.892 2.264 . 0 0 "[ . 1 . 2]" 1
159 1 15 THR MG 1 17 GLN H . . 4.670 2.561 2.144 2.958 . 0 0 "[ . 1 . 2]" 1
160 1 15 THR MG 1 47 VAL QG . . 7.470 4.422 4.082 4.515 . 0 0 "[ . 1 . 2]" 1
161 1 15 THR MG 1 49 ALA HA . . 4.730 3.836 3.707 3.955 . 0 0 "[ . 1 . 2]" 1
162 1 15 THR MG 1 49 ALA MB . . 5.730 2.775 2.390 3.167 . 0 0 "[ . 1 . 2]" 1
163 1 15 THR MG 1 50 ASP H . . 6.190 3.755 3.580 3.985 . 0 0 "[ . 1 . 2]" 1
164 1 15 THR MG 1 55 TRP HH2 . . 5.380 3.941 3.522 4.354 . 0 0 "[ . 1 . 2]" 1
165 1 15 THR MG 1 55 TRP HZ2 . . 4.610 2.044 1.787 2.400 . 0 0 "[ . 1 . 2]" 1
166 1 16 THR H 1 16 THR HB . . 3.480 3.182 3.023 3.241 . 0 0 "[ . 1 . 2]" 1
167 1 16 THR H 1 16 THR MG . . 4.570 3.820 3.691 3.877 . 0 0 "[ . 1 . 2]" 1
168 1 16 THR H 1 17 GLN H . . 2.620 2.548 2.372 2.643 0.023 10 0 "[ . 1 . 2]" 1
169 1 16 THR HA 1 16 THR HB . . 2.770 2.751 2.658 2.788 0.018 11 0 "[ . 1 . 2]" 1
170 1 16 THR HA 1 17 GLN H . . 3.450 3.247 3.022 3.387 . 0 0 "[ . 1 . 2]" 1
171 1 16 THR HA 1 17 GLN QG . . 6.380 5.237 4.810 5.679 . 0 0 "[ . 1 . 2]" 1
172 1 16 THR MG 1 17 GLN H . . 5.470 3.203 2.896 3.573 . 0 0 "[ . 1 . 2]" 1
173 1 17 GLN H 1 17 GLN QB . . 3.500 3.102 2.962 3.213 . 0 0 "[ . 1 . 2]" 1
174 1 17 GLN H 1 17 GLN QG . . 5.140 3.008 2.023 4.237 . 0 0 "[ . 1 . 2]" 1
175 1 17 GLN H 1 18 ARG H . . 3.730 3.540 2.909 3.739 0.009 4 0 "[ . 1 . 2]" 1
176 1 17 GLN HA 1 17 GLN HB2 . . 2.960 2.571 2.427 2.744 . 0 0 "[ . 1 . 2]" 1
177 1 17 GLN HA 1 17 GLN HB3 . . 2.960 2.669 2.395 3.025 0.065 15 0 "[ . 1 . 2]" 1
178 1 17 GLN HA 1 18 ARG H . . 2.430 2.295 2.204 2.489 0.059 7 0 "[ . 1 . 2]" 1
179 1 17 GLN HA 1 18 ARG QG . . 6.130 5.477 5.310 5.612 . 0 0 "[ . 1 . 2]" 1
180 1 17 GLN QG 1 18 ARG H . . 5.820 3.936 3.210 4.397 . 0 0 "[ . 1 . 2]" 1
181 1 17 GLN QG 1 18 ARG QG . . 7.250 5.773 5.580 5.870 . 0 0 "[ . 1 . 2]" 1
182 1 18 ARG H 1 18 ARG HA . . 2.900 2.789 2.687 2.861 . 0 0 "[ . 1 . 2]" 1
183 1 18 ARG H 1 18 ARG HB2 . . 3.020 2.163 2.052 2.836 . 0 0 "[ . 1 . 2]" 1
184 1 18 ARG H 1 18 ARG QB . . 2.830 2.065 2.023 2.155 . 0 0 "[ . 1 . 2]" 1
185 1 18 ARG H 1 18 ARG HB3 . . 3.020 2.952 2.169 3.076 0.056 5 0 "[ . 1 . 2]" 1
186 1 18 ARG H 1 18 ARG HG2 . . 4.510 4.208 4.098 4.305 . 0 0 "[ . 1 . 2]" 1
187 1 18 ARG H 1 18 ARG QG . . 4.300 3.649 3.563 3.853 . 0 0 "[ . 1 . 2]" 1
188 1 18 ARG H 1 18 ARG HG3 . . 4.510 4.010 3.875 4.383 . 0 0 "[ . 1 . 2]" 1
189 1 18 ARG HA 1 18 ARG QG . . 3.990 2.141 2.020 2.724 . 0 0 "[ . 1 . 2]" 1
190 1 18 ARG HA 1 19 LEU H . . 3.110 2.377 2.226 2.610 . 0 0 "[ . 1 . 2]" 1
191 1 18 ARG HA 1 19 LEU QB . . 5.350 4.343 4.111 4.716 . 0 0 "[ . 1 . 2]" 1
192 1 18 ARG HA 1 39 PHE QE . . 7.620 6.363 5.901 6.896 . 0 0 "[ . 1 . 2]" 1
193 1 18 ARG QB 1 18 ARG QG . . 2.470 2.096 2.080 2.115 . 0 0 "[ . 1 . 2]" 1
194 1 18 ARG QB 1 55 TRP QB . . 7.250 5.365 4.344 5.776 . 0 0 "[ . 1 . 2]" 1
195 1 18 ARG QD 1 55 TRP HB2 . . 6.380 3.453 2.693 4.610 . 0 0 "[ . 1 . 2]" 1
196 1 18 ARG QD 1 55 TRP HB3 . . 6.380 4.435 3.834 5.168 . 0 0 "[ . 1 . 2]" 1
197 1 18 ARG QG 1 19 LEU H . . 6.190 3.772 3.029 4.258 . 0 0 "[ . 1 . 2]" 1
198 1 18 ARG QG 1 55 TRP QB . . 6.040 3.882 3.022 4.713 . 0 0 "[ . 1 . 2]" 1
199 1 18 ARG QG 1 55 TRP HZ2 . . 6.220 3.268 2.825 4.666 . 0 0 "[ . 1 . 2]" 1
200 1 18 ARG HG2 1 55 TRP HB2 . . 7.100 4.689 3.501 6.040 . 0 0 "[ . 1 . 2]" 1
201 1 18 ARG HG2 1 55 TRP HB3 . . 7.100 5.611 4.328 6.967 . 0 0 "[ . 1 . 2]" 1
202 1 18 ARG HG3 1 55 TRP HB2 . . 7.100 4.619 3.748 5.268 . 0 0 "[ . 1 . 2]" 1
203 1 18 ARG HG3 1 55 TRP HB3 . . 7.100 5.104 3.968 6.486 . 0 0 "[ . 1 . 2]" 1
204 1 19 LEU H 1 19 LEU HG . . 5.500 3.749 2.369 4.217 . 0 0 "[ . 1 . 2]" 1
205 1 19 LEU H 1 24 ILE MD . . 6.280 4.060 3.464 4.549 . 0 0 "[ . 1 . 2]" 1
206 1 19 LEU HA 1 19 LEU MD1 . . 4.790 3.264 2.421 4.115 . 0 0 "[ . 1 . 2]" 1
207 1 19 LEU HA 1 19 LEU MD2 . . 4.790 3.504 1.994 3.706 . 0 0 "[ . 1 . 2]" 1
208 1 19 LEU HA 1 20 PRO HD2 . . 3.140 2.610 2.449 2.821 . 0 0 "[ . 1 . 2]" 1
209 1 19 LEU HA 1 20 PRO QD . . 2.940 1.904 1.847 2.009 . 0 0 "[ . 1 . 2]" 1
210 1 19 LEU HA 1 20 PRO HD3 . . 3.140 1.956 1.910 2.057 . 0 0 "[ . 1 . 2]" 1
211 1 19 LEU QB 1 20 PRO QB . . 6.930 4.992 4.668 5.163 . 0 0 "[ . 1 . 2]" 1
212 1 19 LEU QB 1 20 PRO HD2 . . 6.380 2.620 1.936 3.175 . 0 0 "[ . 1 . 2]" 1
213 1 19 LEU QB 1 20 PRO QD . . 6.250 2.536 1.906 3.030 . 0 0 "[ . 1 . 2]" 1
214 1 19 LEU QB 1 20 PRO HD3 . . 6.380 3.410 2.847 3.833 . 0 0 "[ . 1 . 2]" 1
215 1 19 LEU QB 1 24 ILE HA . . 6.380 5.263 4.745 5.699 . 0 0 "[ . 1 . 2]" 1
216 1 19 LEU QB 1 24 ILE MD . . 7.220 2.960 2.158 4.135 . 0 0 "[ . 1 . 2]" 1
217 1 19 LEU QB 1 24 ILE QG . . 7.250 2.925 2.322 3.708 . 0 0 "[ . 1 . 2]" 1
218 1 19 LEU QB 1 55 TRP HZ3 . . 6.380 5.106 4.291 5.742 . 0 0 "[ . 1 . 2]" 1
219 1 19 LEU QD 1 20 PRO QD . . 5.070 2.920 1.711 3.311 . 0 0 "[ . 1 . 2]" 1
220 1 19 LEU QD 1 21 VAL QG . . 10.690 5.223 4.085 5.782 . 0 0 "[ . 1 . 2]" 1
221 1 19 LEU QD 1 23 ARG QB . . 8.480 2.766 2.358 3.274 . 0 0 "[ . 1 . 2]" 1
222 1 19 LEU QD 1 23 ARG QD . . 8.480 5.001 4.710 5.209 . 0 0 "[ . 1 . 2]" 1
223 1 19 LEU QD 1 23 ARG QG . . 8.790 3.880 3.209 4.400 . 0 0 "[ . 1 . 2]" 1
224 1 19 LEU QD 1 24 ILE MD . . 7.120 2.997 2.032 3.784 . 0 0 "[ . 1 . 2]" 1
225 1 19 LEU QD 1 24 ILE MG . . 9.130 3.808 2.987 4.481 . 0 0 "[ . 1 . 2]" 1
226 1 19 LEU QD 1 39 PHE QB . . 8.820 3.518 2.397 4.250 . 0 0 "[ . 1 . 2]" 1
227 1 19 LEU QD 1 47 VAL HB . . 5.300 3.931 3.796 4.023 . 0 0 "[ . 1 . 2]" 1
228 1 19 LEU QD 1 47 VAL QG . . 7.610 2.900 2.542 3.550 . 0 0 "[ . 1 . 2]" 1
229 1 19 LEU QD 1 55 TRP HH2 . . 7.570 3.861 2.104 4.862 . 0 0 "[ . 1 . 2]" 1
230 1 19 LEU QD 1 55 TRP HZ2 . . 7.790 5.035 3.724 5.710 . 0 0 "[ . 1 . 2]" 1
231 1 19 LEU MD1 1 20 PRO HD2 . . 7.290 3.811 1.758 4.464 . 0 0 "[ . 1 . 2]" 1
232 1 19 LEU MD1 1 20 PRO HD3 . . 7.290 4.257 2.469 4.706 . 0 0 "[ . 1 . 2]" 1
233 1 19 LEU MD1 1 24 ILE MD . . 7.520 3.886 2.680 4.784 . 0 0 "[ . 1 . 2]" 1
234 1 19 LEU MD1 1 47 VAL HB . . 5.690 4.436 4.103 4.601 . 0 0 "[ . 1 . 2]" 1
235 1 19 LEU MD1 1 47 VAL MG1 . . 9.610 3.529 3.128 4.865 . 0 0 "[ . 1 . 2]" 1
236 1 19 LEU MD1 1 47 VAL MG2 . . 9.610 4.274 3.679 5.100 . 0 0 "[ . 1 . 2]" 1
237 1 19 LEU MD2 1 20 PRO HD2 . . 7.290 3.594 2.002 4.686 . 0 0 "[ . 1 . 2]" 1
238 1 19 LEU MD2 1 20 PRO HD3 . . 7.290 4.373 3.142 5.048 . 0 0 "[ . 1 . 2]" 1
239 1 19 LEU MD2 1 24 ILE MD . . 7.520 3.194 2.066 4.435 . 0 0 "[ . 1 . 2]" 1
240 1 19 LEU MD2 1 47 VAL HB . . 5.690 4.409 4.170 4.538 . 0 0 "[ . 1 . 2]" 1
241 1 19 LEU MD2 1 47 VAL MG1 . . 9.610 3.468 2.680 4.068 . 0 0 "[ . 1 . 2]" 1
242 1 19 LEU MD2 1 47 VAL MG2 . . 9.610 4.524 3.358 4.895 . 0 0 "[ . 1 . 2]" 1
243 1 19 LEU HG 1 20 PRO QG . . 6.380 4.681 3.648 5.867 . 0 0 "[ . 1 . 2]" 1
244 1 20 PRO HA 1 21 VAL H . . 2.520 2.179 2.157 2.229 . 0 0 "[ . 1 . 2]" 1
245 1 20 PRO HA 1 21 VAL QG . . 7.130 4.028 3.521 4.305 . 0 0 "[ . 1 . 2]" 1
246 1 20 PRO HA 1 22 SER H . . 3.790 3.766 3.585 3.873 0.083 14 0 "[ . 1 . 2]" 1
247 1 20 PRO QB 1 21 VAL H . . 4.050 3.311 3.094 3.689 . 0 0 "[ . 1 . 2]" 1
248 1 20 PRO QB 1 21 VAL QG . . 8.030 4.163 3.861 4.662 . 0 0 "[ . 1 . 2]" 1
249 1 20 PRO QB 1 22 SER H . . 4.330 2.711 2.466 3.452 . 0 0 "[ . 1 . 2]" 1
250 1 20 PRO QB 1 23 ARG H . . 4.270 2.814 2.485 2.973 . 0 0 "[ . 1 . 2]" 1
251 1 20 PRO QB 1 24 ILE MD . . 7.060 4.627 4.278 5.147 . 0 0 "[ . 1 . 2]" 1
252 1 20 PRO QD 1 23 ARG QD . . 6.510 3.862 3.424 4.981 . 0 0 "[ . 1 . 2]" 1
253 1 20 PRO HD2 1 23 ARG QG . . 6.380 3.582 2.960 4.630 . 0 0 "[ . 1 . 2]" 1
254 1 20 PRO HD3 1 23 ARG QG . . 6.380 4.756 4.046 5.589 . 0 0 "[ . 1 . 2]" 1
255 1 20 PRO QG 1 22 SER H . . 6.380 4.405 4.128 5.223 . 0 0 "[ . 1 . 2]" 1
256 1 20 PRO QG 1 23 ARG H . . 6.380 3.148 2.827 3.671 . 0 0 "[ . 1 . 2]" 1
257 1 21 VAL H 1 21 VAL HB . . 2.870 2.148 1.953 2.449 . 0 0 "[ . 1 . 2]" 1
258 1 21 VAL H 1 21 VAL MG1 . . 4.570 3.041 2.515 3.701 . 0 0 "[ . 1 . 2]" 1
259 1 21 VAL H 1 21 VAL MG2 . . 4.570 3.098 2.047 3.647 . 0 0 "[ . 1 . 2]" 1
260 1 21 VAL H 1 22 SER H . . 3.360 2.764 2.647 2.822 . 0 0 "[ . 1 . 2]" 1
261 1 21 VAL H 1 24 ILE MD . . 6.160 3.278 2.869 3.738 . 0 0 "[ . 1 . 2]" 1
262 1 21 VAL HA 1 21 VAL HB . . 2.990 2.770 2.532 3.025 0.035 11 0 "[ . 1 . 2]" 1
263 1 21 VAL HA 1 23 ARG H . . 4.260 3.813 3.491 4.270 0.010 13 0 "[ . 1 . 2]" 1
264 1 21 VAL HA 1 24 ILE H . . 3.670 2.981 2.670 3.430 . 0 0 "[ . 1 . 2]" 1
265 1 21 VAL HA 1 24 ILE HB . . 3.520 2.309 2.009 2.677 . 0 0 "[ . 1 . 2]" 1
266 1 21 VAL HA 1 24 ILE MD . . 4.390 1.945 1.767 2.377 . 0 0 "[ . 1 . 2]" 1
267 1 21 VAL HA 1 24 ILE HG12 . . 4.230 4.081 3.559 4.259 0.029 10 0 "[ . 1 . 2]" 1
268 1 21 VAL HA 1 24 ILE QG . . 4.070 2.941 2.116 3.481 . 0 0 "[ . 1 . 2]" 1
269 1 21 VAL HA 1 24 ILE HG13 . . 4.230 3.024 2.133 3.692 . 0 0 "[ . 1 . 2]" 1
270 1 21 VAL HA 1 59 VAL MG1 . . 5.470 3.755 3.019 4.527 . 0 0 "[ . 1 . 2]" 1
271 1 21 VAL HA 1 59 VAL QG . . 5.170 3.470 2.965 3.898 . 0 0 "[ . 1 . 2]" 1
272 1 21 VAL HA 1 59 VAL MG2 . . 5.470 4.283 3.449 4.508 . 0 0 "[ . 1 . 2]" 1
273 1 21 VAL HB 1 22 SER H . . 3.610 3.438 2.651 3.932 0.322 16 0 "[ . 1 . 2]" 1
274 1 21 VAL HB 1 24 ILE MD . . 6.000 3.811 3.159 4.445 . 0 0 "[ . 1 . 2]" 1
275 1 21 VAL HB 1 59 VAL MG1 . . 5.350 3.226 2.586 4.315 . 0 0 "[ . 1 . 2]" 1
276 1 21 VAL HB 1 59 VAL QG . . 4.940 2.859 2.335 3.665 . 0 0 "[ . 1 . 2]" 1
277 1 21 VAL HB 1 59 VAL MG2 . . 5.350 3.623 2.362 4.481 . 0 0 "[ . 1 . 2]" 1
278 1 21 VAL QG 1 22 SER H . . 4.960 2.508 1.912 3.462 . 0 0 "[ . 1 . 2]" 1
279 1 21 VAL QG 1 22 SER HA . . 7.190 3.071 2.796 3.736 . 0 0 "[ . 1 . 2]" 1
280 1 21 VAL QG 1 24 ILE H . . 8.090 3.738 3.595 3.883 . 0 0 "[ . 1 . 2]" 1
281 1 21 VAL QG 1 24 ILE MD . . 8.900 2.526 2.093 2.988 . 0 0 "[ . 1 . 2]" 1
282 1 21 VAL QG 1 24 ILE QG . . 8.250 3.950 3.404 4.182 . 0 0 "[ . 1 . 2]" 1
283 1 21 VAL QG 1 59 VAL HA . . 5.170 2.854 2.147 3.512 . 0 0 "[ . 1 . 2]" 1
284 1 21 VAL QG 1 59 VAL HB . . 7.750 3.175 1.637 4.651 . 0 0 "[ . 1 . 2]" 1
285 1 21 VAL QG 1 59 VAL QG . . 6.580 2.091 1.557 2.817 . 0 0 "[ . 1 . 2]" 1
286 1 21 VAL QG 1 62 SER QB . . 6.650 2.278 1.828 3.365 . 0 0 "[ . 1 . 2]" 1
287 1 21 VAL QG 1 63 MET HA . . 7.250 2.575 1.916 3.595 . 0 0 "[ . 1 . 2]" 1
288 1 21 VAL QG 1 63 MET QG . . 6.020 2.260 1.772 3.919 . 0 0 "[ . 1 . 2]" 1
289 1 21 VAL MG1 1 22 SER H . . 5.600 2.584 1.916 3.818 . 0 0 "[ . 1 . 2]" 1
290 1 21 VAL MG1 1 59 VAL HA . . 5.970 4.154 3.091 4.868 . 0 0 "[ . 1 . 2]" 1
291 1 21 VAL MG1 1 59 VAL MG1 . . 8.940 3.640 2.470 4.783 . 0 0 "[ . 1 . 2]" 1
292 1 21 VAL MG1 1 59 VAL MG2 . . 8.940 4.239 2.787 5.140 . 0 0 "[ . 1 . 2]" 1
293 1 21 VAL MG1 1 62 SER HB2 . . 8.410 3.968 3.436 4.649 . 0 0 "[ . 1 . 2]" 1
294 1 21 VAL MG1 1 62 SER HB3 . . 8.410 2.793 1.972 3.507 . 0 0 "[ . 1 . 2]" 1
295 1 21 VAL MG1 1 63 MET HG2 . . 8.060 4.093 2.153 6.003 . 0 0 "[ . 1 . 2]" 1
296 1 21 VAL MG1 1 63 MET HG3 . . 8.060 5.073 2.905 6.208 . 0 0 "[ . 1 . 2]" 1
297 1 21 VAL MG2 1 22 SER H . . 5.600 4.133 3.919 4.398 . 0 0 "[ . 1 . 2]" 1
298 1 21 VAL MG2 1 59 VAL HA . . 5.970 2.956 2.152 3.850 . 0 0 "[ . 1 . 2]" 1
299 1 21 VAL MG2 1 59 VAL MG1 . . 8.940 2.333 1.694 3.365 . 0 0 "[ . 1 . 2]" 1
300 1 21 VAL MG2 1 59 VAL MG2 . . 8.940 2.765 1.703 3.630 . 0 0 "[ . 1 . 2]" 1
301 1 21 VAL MG2 1 62 SER HB2 . . 8.410 3.884 3.194 6.277 . 0 0 "[ . 1 . 2]" 1
302 1 21 VAL MG2 1 62 SER HB3 . . 8.410 2.648 1.966 5.494 . 0 0 "[ . 1 . 2]" 1
303 1 21 VAL MG2 1 63 MET HG2 . . 8.060 2.609 1.813 5.427 . 0 0 "[ . 1 . 2]" 1
304 1 21 VAL MG2 1 63 MET HG3 . . 8.060 3.463 2.525 5.767 . 0 0 "[ . 1 . 2]" 1
305 1 22 SER H 1 22 SER HB2 . . 3.020 2.703 2.056 3.256 0.236 6 0 "[ . 1 . 2]" 1
306 1 22 SER H 1 22 SER HB3 . . 3.020 2.616 2.116 3.265 0.245 9 0 "[ . 1 . 2]" 1
307 1 22 SER H 1 23 ARG H . . 3.240 2.680 2.595 2.758 . 0 0 "[ . 1 . 2]" 1
308 1 22 SER H 1 24 ILE H . . 3.920 3.896 3.744 4.062 0.142 7 0 "[ . 1 . 2]" 1
309 1 22 SER HA 1 22 SER HB2 . . 2.960 2.551 2.300 2.891 . 0 0 "[ . 1 . 2]" 1
310 1 22 SER HA 1 22 SER HB3 . . 2.960 2.846 2.257 3.051 0.091 1 0 "[ . 1 . 2]" 1
311 1 22 SER QB 1 23 ARG QD . . 6.260 3.501 2.921 4.609 . 0 0 "[ . 1 . 2]" 1
312 1 23 ARG H 1 23 ARG HB2 . . 3.550 2.176 2.059 2.289 . 0 0 "[ . 1 . 2]" 1
313 1 23 ARG H 1 23 ARG QB . . 3.250 2.143 2.034 2.248 . 0 0 "[ . 1 . 2]" 1
314 1 23 ARG H 1 23 ARG HB3 . . 3.550 3.228 3.054 3.529 . 0 0 "[ . 1 . 2]" 1
315 1 23 ARG H 1 23 ARG HD2 . . 4.350 4.150 3.606 4.398 0.048 19 0 "[ . 1 . 2]" 1
316 1 23 ARG H 1 23 ARG QD . . 4.110 3.246 2.986 3.739 . 0 0 "[ . 1 . 2]" 1
317 1 23 ARG H 1 23 ARG HD3 . . 4.350 3.405 3.058 4.069 . 0 0 "[ . 1 . 2]" 1
318 1 23 ARG H 1 24 ILE H . . 2.900 2.303 1.993 2.679 . 0 0 "[ . 1 . 2]" 1
319 1 23 ARG HA 1 23 ARG HB2 . . 2.900 2.902 2.816 3.041 0.141 3 0 "[ . 1 . 2]" 1
320 1 23 ARG HA 1 23 ARG HB3 . . 2.900 2.873 2.644 2.957 0.057 1 0 "[ . 1 . 2]" 1
321 1 23 ARG HA 1 23 ARG HD2 . . 3.390 2.597 2.037 3.184 . 0 0 "[ . 1 . 2]" 1
322 1 23 ARG HA 1 23 ARG QD . . 3.170 2.459 1.909 2.911 . 0 0 "[ . 1 . 2]" 1
323 1 23 ARG HA 1 23 ARG HD3 . . 3.390 3.105 2.306 3.462 0.072 19 0 "[ . 1 . 2]" 1
324 1 23 ARG HA 1 24 ILE H . . 3.520 3.407 3.160 3.533 0.013 20 0 "[ . 1 . 2]" 1
325 1 23 ARG QB 1 23 ARG QD . . 3.150 2.176 2.027 2.404 . 0 0 "[ . 1 . 2]" 1
326 1 23 ARG QB 1 24 ILE HA . . 5.110 3.988 3.857 4.173 . 0 0 "[ . 1 . 2]" 1
327 1 23 ARG QB 1 41 THR MG . . 6.470 3.038 2.559 3.833 . 0 0 "[ . 1 . 2]" 1
328 1 23 ARG HB2 1 23 ARG HD2 . . 4.140 3.341 3.159 3.590 . 0 0 "[ . 1 . 2]" 1
329 1 23 ARG HB2 1 23 ARG HD3 . . 4.140 2.392 2.066 4.000 . 0 0 "[ . 1 . 2]" 1
330 1 23 ARG HB3 1 23 ARG HD2 . . 4.140 3.873 2.466 4.144 0.004 4 0 "[ . 1 . 2]" 1
331 1 23 ARG HB3 1 23 ARG HD3 . . 4.140 3.530 3.411 3.651 . 0 0 "[ . 1 . 2]" 1
332 1 24 ILE H 1 24 ILE HB . . 2.830 2.501 2.366 2.680 . 0 0 "[ . 1 . 2]" 1
333 1 24 ILE H 1 24 ILE MD . . 5.500 3.382 2.853 4.043 . 0 0 "[ . 1 . 2]" 1
334 1 24 ILE H 1 24 ILE HG12 . . 3.950 3.733 3.344 3.969 0.019 11 0 "[ . 1 . 2]" 1
335 1 24 ILE H 1 24 ILE QG . . 3.700 2.332 1.925 2.830 . 0 0 "[ . 1 . 2]" 1
336 1 24 ILE H 1 24 ILE HG13 . . 3.950 2.357 1.937 2.898 . 0 0 "[ . 1 . 2]" 1
337 1 24 ILE H 1 42 LYS QD . . 6.380 5.376 4.885 5.739 . 0 0 "[ . 1 . 2]" 1
338 1 24 ILE H 1 42 LYS QE . . 6.380 3.637 3.221 4.118 . 0 0 "[ . 1 . 2]" 1
339 1 24 ILE H 1 63 MET ME . . 6.060 4.667 3.900 4.977 . 0 0 "[ . 1 . 2]" 1
340 1 24 ILE HA 1 25 LYS H . . 3.020 2.308 2.248 2.357 . 0 0 "[ . 1 . 2]" 1
341 1 24 ILE HA 1 41 THR HA . . 3.270 1.989 1.903 2.211 . 0 0 "[ . 1 . 2]" 1
342 1 24 ILE HA 1 42 LYS H . . 3.730 3.515 3.247 3.755 0.025 7 0 "[ . 1 . 2]" 1
343 1 24 ILE HB 1 25 LYS H . . 4.230 3.925 3.762 4.120 . 0 0 "[ . 1 . 2]" 1
344 1 24 ILE HB 1 42 LYS QE . . 5.850 4.917 4.672 5.123 . 0 0 "[ . 1 . 2]" 1
345 1 24 ILE MD 1 25 LYS H . . 6.400 4.993 4.803 5.123 . 0 0 "[ . 1 . 2]" 1
346 1 24 ILE MD 1 27 TYR QD . . 8.670 6.023 5.162 6.391 . 0 0 "[ . 1 . 2]" 1
347 1 24 ILE MD 1 39 PHE QB . . 7.160 3.098 2.367 3.780 . 0 0 "[ . 1 . 2]" 1
348 1 24 ILE MD 1 41 THR MG . . 6.190 3.819 3.531 4.247 . 0 0 "[ . 1 . 2]" 1
349 1 24 ILE MD 1 59 VAL MG1 . . 7.000 3.062 2.276 4.254 . 0 0 "[ . 1 . 2]" 1
350 1 24 ILE MD 1 59 VAL QG . . 6.300 2.708 2.245 3.209 . 0 0 "[ . 1 . 2]" 1
351 1 24 ILE MD 1 59 VAL MG2 . . 7.000 3.402 2.992 3.912 . 0 0 "[ . 1 . 2]" 1
352 1 24 ILE MD 1 63 MET ME . . 7.460 3.648 2.770 3.985 . 0 0 "[ . 1 . 2]" 1
353 1 24 ILE MG 1 25 LYS H . . 5.160 2.159 1.905 2.377 . 0 0 "[ . 1 . 2]" 1
354 1 24 ILE MG 1 25 LYS HA . . 5.470 3.868 3.676 4.111 . 0 0 "[ . 1 . 2]" 1
355 1 24 ILE MG 1 25 LYS HB2 . . 6.000 4.379 4.205 4.719 . 0 0 "[ . 1 . 2]" 1
356 1 24 ILE MG 1 25 LYS QB . . 5.870 3.823 3.716 3.920 . 0 0 "[ . 1 . 2]" 1
357 1 24 ILE MG 1 25 LYS HB3 . . 6.000 4.231 3.989 4.383 . 0 0 "[ . 1 . 2]" 1
358 1 24 ILE MG 1 26 THR H . . 5.070 3.314 3.118 3.559 . 0 0 "[ . 1 . 2]" 1
359 1 24 ILE MG 1 39 PHE HA . . 6.190 3.220 2.990 3.754 . 0 0 "[ . 1 . 2]" 1
360 1 24 ILE MG 1 39 PHE QB . . 6.470 2.508 2.004 3.316 . 0 0 "[ . 1 . 2]" 1
361 1 24 ILE MG 1 39 PHE QD . . 8.650 2.374 1.938 3.184 . 0 0 "[ . 1 . 2]" 1
362 1 24 ILE MG 1 41 THR HA . . 6.000 3.117 2.849 3.415 . 0 0 "[ . 1 . 2]" 1
363 1 24 ILE MG 1 42 LYS H . . 6.120 4.996 4.877 5.123 . 0 0 "[ . 1 . 2]" 1
364 1 24 ILE MG 1 42 LYS QE . . 6.260 4.536 4.294 4.667 . 0 0 "[ . 1 . 2]" 1
365 1 24 ILE MG 1 63 MET ME . . 5.290 1.845 1.680 1.947 . 0 0 "[ . 1 . 2]" 1
366 1 25 LYS H 1 25 LYS HB2 . . 3.610 2.600 2.402 3.034 . 0 0 "[ . 1 . 2]" 1
367 1 25 LYS H 1 25 LYS HB3 . . 3.610 2.759 2.298 2.980 . 0 0 "[ . 1 . 2]" 1
368 1 25 LYS H 1 25 LYS QD . . 5.230 4.358 4.213 4.568 . 0 0 "[ . 1 . 2]" 1
369 1 25 LYS H 1 26 THR H . . 3.240 2.684 2.440 2.936 . 0 0 "[ . 1 . 2]" 1
370 1 25 LYS H 1 41 THR HA . . 3.240 2.202 1.995 2.462 . 0 0 "[ . 1 . 2]" 1
371 1 25 LYS H 1 41 THR HB . . 5.190 4.802 4.594 5.042 . 0 0 "[ . 1 . 2]" 1
372 1 25 LYS H 1 41 THR MG . . 5.070 3.689 3.347 4.114 . 0 0 "[ . 1 . 2]" 1
373 1 25 LYS H 1 42 LYS H . . 3.830 3.844 3.768 3.884 0.054 18 0 "[ . 1 . 2]" 1
374 1 25 LYS HA 1 25 LYS HB2 . . 3.020 2.615 2.346 2.737 . 0 0 "[ . 1 . 2]" 1
375 1 25 LYS HA 1 25 LYS HB3 . . 3.020 3.000 2.955 3.033 0.013 14 0 "[ . 1 . 2]" 1
376 1 25 LYS HA 1 25 LYS HD2 . . 4.070 3.367 2.607 4.084 0.014 6 0 "[ . 1 . 2]" 1
377 1 25 LYS HA 1 25 LYS QD . . 3.880 2.857 1.891 3.364 . 0 0 "[ . 1 . 2]" 1
378 1 25 LYS HA 1 25 LYS HD3 . . 4.070 3.202 1.899 3.718 . 0 0 "[ . 1 . 2]" 1
379 1 25 LYS HA 1 25 LYS QE . . 5.630 3.959 1.995 4.724 . 0 0 "[ . 1 . 2]" 1
380 1 25 LYS HA 1 25 LYS HG2 . . 3.520 2.593 2.157 3.785 0.265 11 0 "[ . 1 . 2]" 1
381 1 25 LYS HA 1 25 LYS HG3 . . 3.520 3.283 2.249 3.585 0.065 20 0 "[ . 1 . 2]" 1
382 1 25 LYS HA 1 42 LYS HE2 . . 4.660 3.047 1.972 4.683 0.023 7 0 "[ . 1 . 2]" 1
383 1 25 LYS HA 1 42 LYS QE . . 4.350 2.848 1.899 3.749 . 0 0 "[ . 1 . 2]" 1
384 1 25 LYS HA 1 42 LYS HE3 . . 4.660 3.806 2.266 4.678 0.018 1 0 "[ . 1 . 2]" 1
385 1 25 LYS QB 1 25 LYS QE . . 4.050 2.957 2.390 3.348 . 0 0 "[ . 1 . 2]" 1
386 1 25 LYS QB 1 25 LYS QG . . 2.490 2.051 2.017 2.088 . 0 0 "[ . 1 . 2]" 1
387 1 25 LYS QB 1 26 THR MG . . 5.940 3.413 3.142 3.687 . 0 0 "[ . 1 . 2]" 1
388 1 25 LYS QB 1 40 ILE HB . . 5.940 3.438 2.873 3.841 . 0 0 "[ . 1 . 2]" 1
389 1 25 LYS QB 1 41 THR HA . . 6.280 3.094 2.645 3.551 . 0 0 "[ . 1 . 2]" 1
390 1 25 LYS QB 1 41 THR HB . . 6.000 4.888 4.382 5.236 . 0 0 "[ . 1 . 2]" 1
391 1 25 LYS QB 1 42 LYS H . . 5.070 3.124 2.520 3.659 . 0 0 "[ . 1 . 2]" 1
392 1 25 LYS QB 1 67 SER QB . . 6.820 4.923 4.447 5.419 . 0 0 "[ . 1 . 2]" 1
393 1 25 LYS HB2 1 25 LYS QE . . 4.330 3.666 2.419 3.944 . 0 0 "[ . 1 . 2]" 1
394 1 25 LYS HB2 1 26 THR H . . 3.390 3.361 3.166 3.594 0.204 11 0 "[ . 1 . 2]" 1
395 1 25 LYS HB2 1 26 THR MG . . 6.190 4.920 4.611 5.075 . 0 0 "[ . 1 . 2]" 1
396 1 25 LYS HB2 1 42 LYS H . . 5.250 3.183 2.543 3.911 . 0 0 "[ . 1 . 2]" 1
397 1 25 LYS HB3 1 25 LYS QE . . 4.330 3.211 2.532 3.721 . 0 0 "[ . 1 . 2]" 1
398 1 25 LYS HB3 1 26 THR H . . 3.390 1.990 1.910 2.191 . 0 0 "[ . 1 . 2]" 1
399 1 25 LYS HB3 1 26 THR MG . . 6.190 3.482 3.192 3.786 . 0 0 "[ . 1 . 2]" 1
400 1 25 LYS HB3 1 42 LYS H . . 5.250 4.654 4.113 5.146 . 0 0 "[ . 1 . 2]" 1
401 1 25 LYS QD 1 67 SER HA . . 5.600 4.355 3.690 5.059 . 0 0 "[ . 1 . 2]" 1
402 1 25 LYS HD2 1 25 LYS HG2 . . 2.960 2.820 2.673 2.941 . 0 0 "[ . 1 . 2]" 1
403 1 25 LYS HD2 1 25 LYS HG3 . . 2.960 2.635 2.264 3.001 0.041 9 0 "[ . 1 . 2]" 1
404 1 25 LYS HD3 1 25 LYS HG2 . . 2.960 2.578 2.264 3.025 0.065 11 0 "[ . 1 . 2]" 1
405 1 25 LYS HD3 1 25 LYS HG3 . . 2.960 2.820 2.672 2.941 . 0 0 "[ . 1 . 2]" 1
406 1 25 LYS QE 1 26 THR MG . . 6.500 4.172 3.354 4.766 . 0 0 "[ . 1 . 2]" 1
407 1 25 LYS QE 1 67 SER HA . . 6.380 5.222 3.256 5.739 . 0 0 "[ . 1 . 2]" 1
408 1 25 LYS QG 1 26 THR H . . 4.580 3.723 2.014 4.149 . 0 0 "[ . 1 . 2]" 1
409 1 25 LYS QG 1 67 SER QB . . 6.170 4.452 3.589 4.789 . 0 0 "[ . 1 . 2]" 1
410 1 26 THR H 1 26 THR HB . . 3.920 2.843 2.718 3.024 . 0 0 "[ . 1 . 2]" 1
411 1 26 THR H 1 40 ILE H . . 3.520 3.517 3.351 3.572 0.052 12 0 "[ . 1 . 2]" 1
412 1 26 THR H 1 40 ILE HB . . 3.980 2.461 2.112 2.646 . 0 0 "[ . 1 . 2]" 1
413 1 26 THR H 1 40 ILE MG . . 4.510 3.578 2.556 3.711 . 0 0 "[ . 1 . 2]" 1
414 1 26 THR H 1 63 MET ME . . 5.190 3.310 2.967 4.086 . 0 0 "[ . 1 . 2]" 1
415 1 26 THR HA 1 26 THR HB . . 2.930 2.638 2.554 2.720 . 0 0 "[ . 1 . 2]" 1
416 1 26 THR HA 1 27 TYR H . . 2.830 2.538 2.433 2.669 . 0 0 "[ . 1 . 2]" 1
417 1 26 THR HA 1 40 ILE MD . . 6.530 5.196 4.094 5.340 . 0 0 "[ . 1 . 2]" 1
418 1 26 THR HA 1 63 MET ME . . 4.050 2.329 1.837 3.189 . 0 0 "[ . 1 . 2]" 1
419 1 26 THR HB 1 40 ILE MD . . 6.530 4.354 3.869 4.476 . 0 0 "[ . 1 . 2]" 1
420 1 26 THR HB 1 40 ILE QG . . 6.160 5.339 5.103 5.607 . 0 0 "[ . 1 . 2]" 1
421 1 26 THR MG 1 27 TYR H . . 4.980 2.801 2.484 3.190 . 0 0 "[ . 1 . 2]" 1
422 1 26 THR MG 1 39 PHE HA . . 6.400 4.907 4.709 5.125 . 0 0 "[ . 1 . 2]" 1
423 1 26 THR MG 1 40 ILE H . . 6.060 3.432 3.124 3.764 . 0 0 "[ . 1 . 2]" 1
424 1 26 THR MG 1 40 ILE HB . . 4.880 2.021 1.768 2.366 . 0 0 "[ . 1 . 2]" 1
425 1 26 THR MG 1 40 ILE MD . . 7.150 1.944 1.620 2.130 . 0 0 "[ . 1 . 2]" 1
426 1 26 THR MG 1 40 ILE QG . . 5.480 2.680 2.444 3.072 . 0 0 "[ . 1 . 2]" 1
427 1 26 THR MG 1 63 MET ME . . 7.000 4.181 3.848 4.639 . 0 0 "[ . 1 . 2]" 1
428 1 27 TYR H 1 27 TYR HB2 . . 3.980 3.768 3.694 3.831 . 0 0 "[ . 1 . 2]" 1
429 1 27 TYR H 1 27 TYR HB3 . . 3.980 3.180 2.979 3.314 . 0 0 "[ . 1 . 2]" 1
430 1 27 TYR H 1 63 MET ME . . 5.130 3.495 2.956 4.238 . 0 0 "[ . 1 . 2]" 1
431 1 27 TYR HA 1 28 THR H . . 2.830 2.386 2.313 2.428 . 0 0 "[ . 1 . 2]" 1
432 1 27 TYR HA 1 28 THR MG . . 6.160 5.195 5.166 5.359 . 0 0 "[ . 1 . 2]" 1
433 1 27 TYR HA 1 37 VAL QG . . 7.900 5.733 5.535 5.956 . 0 0 "[ . 1 . 2]" 1
434 1 27 TYR HA 1 38 ILE HB . . 5.440 4.333 3.981 4.630 . 0 0 "[ . 1 . 2]" 1
435 1 27 TYR HA 1 39 PHE HA . . 3.140 2.514 2.331 2.750 . 0 0 "[ . 1 . 2]" 1
436 1 27 TYR HA 1 39 PHE QD . . 7.280 3.927 3.248 4.884 . 0 0 "[ . 1 . 2]" 1
437 1 27 TYR HA 1 39 PHE QE . . 7.620 5.416 4.963 6.051 . 0 0 "[ . 1 . 2]" 1
438 1 27 TYR HA 1 40 ILE H . . 3.950 2.610 2.458 2.758 . 0 0 "[ . 1 . 2]" 1
439 1 27 TYR HA 1 63 MET ME . . 6.030 4.099 3.497 4.683 . 0 0 "[ . 1 . 2]" 1
440 1 27 TYR QB 1 28 THR H . . 3.380 2.720 2.595 2.876 . 0 0 "[ . 1 . 2]" 1
441 1 27 TYR QB 1 29 ILE QG . . 6.690 3.741 3.299 4.455 . 0 0 "[ . 1 . 2]" 1
442 1 27 TYR QB 1 37 VAL QG . . 7.000 4.137 3.893 4.412 . 0 0 "[ . 1 . 2]" 1
443 1 27 TYR QB 1 39 PHE H . . 5.600 4.800 4.523 5.061 . 0 0 "[ . 1 . 2]" 1
444 1 27 TYR QB 1 39 PHE HA . . 5.260 2.737 2.488 2.976 . 0 0 "[ . 1 . 2]" 1
445 1 27 TYR HB2 1 37 VAL MG1 . . 8.780 5.326 4.848 5.639 . 0 0 "[ . 1 . 2]" 1
446 1 27 TYR HB2 1 37 VAL MG2 . . 8.780 4.643 4.131 5.160 . 0 0 "[ . 1 . 2]" 1
447 1 27 TYR HB3 1 37 VAL MG1 . . 8.780 6.535 6.078 6.858 . 0 0 "[ . 1 . 2]" 1
448 1 27 TYR HB3 1 37 VAL MG2 . . 8.780 5.535 5.141 6.043 . 0 0 "[ . 1 . 2]" 1
449 1 27 TYR QD 1 28 THR H . . 7.390 3.860 3.359 4.195 . 0 0 "[ . 1 . 2]" 1
450 1 27 TYR QD 1 28 THR HA . . 7.640 4.042 3.441 4.220 . 0 0 "[ . 1 . 2]" 1
451 1 27 TYR QD 1 29 ILE H . . 7.640 4.213 3.702 4.430 . 0 0 "[ . 1 . 2]" 1
452 1 27 TYR QD 1 37 VAL QG . . 9.330 4.274 3.717 4.823 . 0 0 "[ . 1 . 2]" 1
453 1 27 TYR QD 1 39 PHE QD . . 9.760 4.404 3.890 4.925 . 0 0 "[ . 1 . 2]" 1
454 1 27 TYR QD 1 39 PHE QE . . 9.760 4.198 3.428 4.696 . 0 0 "[ . 1 . 2]" 1
455 1 27 TYR QD 1 59 VAL QG . . 9.300 5.403 5.043 5.728 . 0 0 "[ . 1 . 2]" 1
456 1 27 TYR QD 1 60 VAL MG1 . . 8.360 3.268 2.600 4.210 . 0 0 "[ . 1 . 2]" 1
457 1 27 TYR QD 1 60 VAL MG2 . . 8.670 3.206 2.668 3.770 . 0 0 "[ . 1 . 2]" 1
458 1 27 TYR QD 1 63 MET ME . . 7.580 2.347 1.889 3.721 . 0 0 "[ . 1 . 2]" 1
459 1 27 TYR QE 1 28 THR HA . . 7.630 5.237 4.654 5.643 . 0 0 "[ . 1 . 2]" 1
460 1 27 TYR QE 1 29 ILE H . . 7.630 5.055 4.228 5.653 . 0 0 "[ . 1 . 2]" 1
461 1 27 TYR QE 1 29 ILE MD . . 8.200 2.882 1.990 4.220 . 0 0 "[ . 1 . 2]" 1
462 1 27 TYR QE 1 29 ILE QG . . 8.320 3.458 2.271 4.932 . 0 0 "[ . 1 . 2]" 1
463 1 27 TYR QE 1 37 VAL QG . . 10.160 5.286 4.383 6.112 . 0 0 "[ . 1 . 2]" 1
464 1 27 TYR QE 1 59 VAL QG . . 9.850 6.035 5.573 6.328 . 0 0 "[ . 1 . 2]" 1
465 1 27 TYR QE 1 60 VAL HA . . 7.630 4.445 3.476 4.846 . 0 0 "[ . 1 . 2]" 1
466 1 27 TYR QE 1 60 VAL MG1 . . 8.660 2.597 2.081 2.989 . 0 0 "[ . 1 . 2]" 1
467 1 27 TYR QE 1 63 MET ME . . 7.920 3.672 2.441 5.315 . 0 0 "[ . 1 . 2]" 1
468 1 27 TYR QE 1 64 ASP H . . 7.630 3.543 2.862 4.546 . 0 0 "[ . 1 . 2]" 1
469 1 28 THR H 1 28 THR HB . . 3.760 2.584 2.444 2.671 . 0 0 "[ . 1 . 2]" 1
470 1 28 THR H 1 37 VAL QG . . 7.650 4.912 4.712 5.082 . 0 0 "[ . 1 . 2]" 1
471 1 28 THR H 1 38 ILE HB . . 4.290 2.521 2.163 2.901 . 0 0 "[ . 1 . 2]" 1
472 1 28 THR H 1 38 ILE MG . . 6.060 3.422 3.194 3.730 . 0 0 "[ . 1 . 2]" 1
473 1 28 THR H 1 39 PHE HA . . 4.230 3.815 3.635 4.023 . 0 0 "[ . 1 . 2]" 1
474 1 28 THR H 1 39 PHE QD . . 7.620 4.925 4.144 5.387 . 0 0 "[ . 1 . 2]" 1
475 1 28 THR HA 1 28 THR HB . . 2.960 2.973 2.962 3.043 0.083 6 0 "[ . 1 . 2]" 1
476 1 28 THR HA 1 29 ILE H . . 2.590 2.154 2.149 2.168 . 0 0 "[ . 1 . 2]" 1
477 1 28 THR HB 1 38 ILE HB . . 4.320 2.469 2.124 2.648 . 0 0 "[ . 1 . 2]" 1
478 1 28 THR HB 1 38 ILE MD . . 6.250 5.029 4.622 5.274 . 0 0 "[ . 1 . 2]" 1
479 1 28 THR HB 1 38 ILE MG . . 6.030 3.078 2.806 3.313 . 0 0 "[ . 1 . 2]" 1
480 1 28 THR MG 1 29 ILE H . . 4.640 3.018 2.858 3.189 . 0 0 "[ . 1 . 2]" 1
481 1 28 THR MG 1 38 ILE H . . 5.970 3.553 3.315 3.954 . 0 0 "[ . 1 . 2]" 1
482 1 28 THR MG 1 38 ILE HB . . 4.360 2.514 2.344 3.041 . 0 0 "[ . 1 . 2]" 1
483 1 28 THR MG 1 38 ILE MD . . 6.870 4.084 3.611 4.669 . 0 0 "[ . 1 . 2]" 1
484 1 28 THR MG 1 38 ILE MG . . 6.010 3.397 3.191 3.748 . 0 0 "[ . 1 . 2]" 1
485 1 29 ILE H 1 29 ILE HB . . 2.870 2.510 2.340 2.841 . 0 0 "[ . 1 . 2]" 1
486 1 29 ILE H 1 29 ILE MD . . 5.350 3.730 2.336 4.072 . 0 0 "[ . 1 . 2]" 1
487 1 29 ILE H 1 29 ILE HG12 . . 4.200 3.599 1.963 4.229 0.029 2 0 "[ . 1 . 2]" 1
488 1 29 ILE H 1 29 ILE QG . . 4.040 2.655 1.953 3.638 . 0 0 "[ . 1 . 2]" 1
489 1 29 ILE H 1 29 ILE HG13 . . 4.200 2.955 2.582 3.967 . 0 0 "[ . 1 . 2]" 1
490 1 29 ILE HA 1 30 THR H . . 2.830 2.233 2.201 2.242 . 0 0 "[ . 1 . 2]" 1
491 1 29 ILE HB 1 29 ILE QG . . 2.680 2.326 2.172 2.411 . 0 0 "[ . 1 . 2]" 1
492 1 29 ILE HB 1 37 VAL HA . . 4.630 4.541 4.381 4.680 0.050 7 0 "[ . 1 . 2]" 1
493 1 29 ILE MD 1 37 VAL H . . 6.340 5.008 4.065 5.230 . 0 0 "[ . 1 . 2]" 1
494 1 29 ILE MD 1 37 VAL HA . . 4.570 3.432 1.962 3.847 . 0 0 "[ . 1 . 2]" 1
495 1 29 ILE MD 1 37 VAL MG1 . . 7.340 2.189 1.846 3.075 . 0 0 "[ . 1 . 2]" 1
496 1 29 ILE MD 1 37 VAL QG . . 6.730 2.173 1.843 2.980 . 0 0 "[ . 1 . 2]" 1
497 1 29 ILE MD 1 37 VAL MG2 . . 7.340 3.881 3.217 4.208 . 0 0 "[ . 1 . 2]" 1
498 1 29 ILE QG 1 30 THR H . . 6.040 4.173 3.880 4.810 . 0 0 "[ . 1 . 2]" 1
499 1 29 ILE QG 1 37 VAL QG . . 6.310 2.263 1.855 3.335 . 0 0 "[ . 1 . 2]" 1
500 1 29 ILE HG12 1 37 VAL MG1 . . 8.280 2.466 1.926 4.265 . 0 0 "[ . 1 . 2]" 1
501 1 29 ILE HG12 1 37 VAL MG2 . . 8.280 4.223 3.638 6.031 . 0 0 "[ . 1 . 2]" 1
502 1 29 ILE HG13 1 37 VAL MG1 . . 8.280 3.454 1.942 4.187 . 0 0 "[ . 1 . 2]" 1
503 1 29 ILE HG13 1 37 VAL MG2 . . 8.280 4.920 3.936 5.627 . 0 0 "[ . 1 . 2]" 1
504 1 29 ILE MG 1 30 THR H . . 4.330 2.362 2.172 2.616 . 0 0 "[ . 1 . 2]" 1
505 1 29 ILE MG 1 30 THR HA . . 5.540 3.840 3.632 4.363 . 0 0 "[ . 1 . 2]" 1
506 1 29 ILE MG 1 36 ALA H . . 5.470 4.063 3.686 4.420 . 0 0 "[ . 1 . 2]" 1
507 1 29 ILE MG 1 37 VAL HA . . 5.070 3.142 2.399 3.504 . 0 0 "[ . 1 . 2]" 1
508 1 29 ILE MG 1 37 VAL MG1 . . 7.560 2.272 1.674 2.891 . 0 0 "[ . 1 . 2]" 1
509 1 29 ILE MG 1 37 VAL QG . . 7.020 2.265 1.672 2.874 . 0 0 "[ . 1 . 2]" 1
510 1 29 ILE MG 1 37 VAL MG2 . . 7.560 4.545 3.890 5.005 . 0 0 "[ . 1 . 2]" 1
511 1 30 THR H 1 30 THR HB . . 3.760 3.618 3.498 3.775 0.015 19 0 "[ . 1 . 2]" 1
512 1 30 THR H 1 30 THR MG . . 4.170 2.650 2.325 3.047 . 0 0 "[ . 1 . 2]" 1
513 1 30 THR H 1 36 ALA H . . 3.360 2.806 2.468 3.161 . 0 0 "[ . 1 . 2]" 1
514 1 30 THR H 1 36 ALA MB . . 5.410 4.382 4.124 4.533 . 0 0 "[ . 1 . 2]" 1
515 1 30 THR HA 1 30 THR HB . . 2.740 2.544 2.389 2.654 . 0 0 "[ . 1 . 2]" 1
516 1 30 THR HA 1 31 GLU H . . 2.560 2.446 2.372 2.612 0.052 19 0 "[ . 1 . 2]" 1
517 1 30 THR HA 1 31 GLU QG . . 6.380 5.016 4.505 5.337 . 0 0 "[ . 1 . 2]" 1
518 1 30 THR HB 1 31 GLU H . . 2.960 2.591 2.307 2.764 . 0 0 "[ . 1 . 2]" 1
519 1 30 THR MG 1 31 GLU H . . 5.010 3.808 3.605 4.034 . 0 0 "[ . 1 . 2]" 1
520 1 30 THR MG 1 36 ALA H . . 4.570 3.553 3.212 3.754 . 0 0 "[ . 1 . 2]" 1
521 1 31 GLU H 1 31 GLU HB2 . . 3.610 2.448 2.397 2.579 . 0 0 "[ . 1 . 2]" 1
522 1 31 GLU H 1 31 GLU QB . . 3.250 2.387 2.340 2.504 . 0 0 "[ . 1 . 2]" 1
523 1 31 GLU H 1 31 GLU HB3 . . 3.610 3.315 3.271 3.393 . 0 0 "[ . 1 . 2]" 1
524 1 31 GLU H 1 31 GLU QG . . 5.110 3.937 3.698 4.090 . 0 0 "[ . 1 . 2]" 1
525 1 31 GLU H 1 32 GLY H . . 3.110 1.811 1.676 1.873 . 0 0 "[ . 1 . 2]" 1
526 1 31 GLU HA 1 31 GLU HB2 . . 3.050 2.893 2.883 2.928 . 0 0 "[ . 1 . 2]" 1
527 1 31 GLU HA 1 31 GLU HB3 . . 3.050 2.867 2.826 2.878 . 0 0 "[ . 1 . 2]" 1
528 1 31 GLU HA 1 31 GLU HG2 . . 3.480 2.809 2.049 3.422 . 0 0 "[ . 1 . 2]" 1
529 1 31 GLU HA 1 31 GLU QG . . 3.260 2.046 2.030 2.078 . 0 0 "[ . 1 . 2]" 1
530 1 31 GLU HA 1 31 GLU HG3 . . 3.480 2.671 2.045 3.443 . 0 0 "[ . 1 . 2]" 1
531 1 31 GLU HA 1 32 GLY QA . . 4.980 4.478 4.242 4.522 . 0 0 "[ . 1 . 2]" 1
532 1 31 GLU HA 1 35 ARG H . . 4.140 3.946 3.713 4.210 0.070 6 0 "[ . 1 . 2]" 1
533 1 31 GLU HA 1 35 ARG HA . . 3.580 2.872 2.342 3.192 . 0 0 "[ . 1 . 2]" 1
534 1 31 GLU HA 1 35 ARG QD . . 6.380 2.919 1.868 3.916 . 0 0 "[ . 1 . 2]" 1
535 1 31 GLU HA 1 35 ARG HG2 . . 4.600 4.108 2.043 4.653 0.053 13 0 "[ . 1 . 2]" 1
536 1 31 GLU HA 1 35 ARG HG3 . . 4.600 3.305 2.861 4.775 0.175 19 0 "[ . 1 . 2]" 1
537 1 31 GLU QB 1 31 GLU QG . . 2.380 2.061 2.060 2.063 . 0 0 "[ . 1 . 2]" 1
538 1 31 GLU QB 1 35 ARG QG . . 6.690 4.817 3.822 5.383 . 0 0 "[ . 1 . 2]" 1
539 1 31 GLU HB2 1 31 GLU HG2 . . 2.990 2.731 2.708 2.761 . 0 0 "[ . 1 . 2]" 1
540 1 31 GLU HB2 1 31 GLU HG3 . . 2.990 2.683 2.284 3.007 0.017 7 0 "[ . 1 . 2]" 1
541 1 31 GLU HB2 1 32 GLY H . . 3.520 3.549 3.396 3.621 0.101 19 0 "[ . 1 . 2]" 1
542 1 31 GLU HB3 1 31 GLU HG2 . . 2.990 2.612 2.292 3.010 0.020 4 0 "[ . 1 . 2]" 1
543 1 31 GLU HB3 1 31 GLU HG3 . . 2.990 2.731 2.707 2.760 . 0 0 "[ . 1 . 2]" 1
544 1 31 GLU HB3 1 32 GLY H . . 3.520 3.563 3.491 3.677 0.157 19 0 "[ . 1 . 2]" 1
545 1 31 GLU QG 1 32 GLY H . . 5.970 4.715 4.651 4.734 . 0 0 "[ . 1 . 2]" 1
546 1 31 GLU QG 1 35 ARG QG . . 6.880 3.809 2.895 5.244 . 0 0 "[ . 1 . 2]" 1
547 1 32 GLY H 1 32 GLY HA2 . . 2.870 2.821 2.746 2.923 0.053 6 0 "[ . 1 . 2]" 1
548 1 32 GLY H 1 32 GLY HA3 . . 2.870 2.270 2.245 2.633 . 0 0 "[ . 1 . 2]" 1
549 1 32 GLY H 1 34 LEU H . . 4.010 4.021 3.395 4.146 0.136 19 0 "[ . 1 . 2]" 1
550 1 32 GLY H 1 35 ARG H . . 3.730 3.329 3.176 3.527 . 0 0 "[ . 1 . 2]" 1
551 1 32 GLY H 1 35 ARG QB . . 5.630 4.783 3.906 4.988 . 0 0 "[ . 1 . 2]" 1
552 1 32 GLY H 1 35 ARG QD . . 6.380 5.243 4.404 5.744 . 0 0 "[ . 1 . 2]" 1
553 1 32 GLY QA 1 33 SER H . . 2.630 2.317 2.219 2.328 . 0 0 "[ . 1 . 2]" 1
554 1 32 GLY QA 1 34 LEU H . . 4.730 3.056 2.878 3.465 . 0 0 "[ . 1 . 2]" 1
555 1 32 GLY HA2 1 33 SER H . . 2.900 2.708 2.278 2.790 . 0 0 "[ . 1 . 2]" 1
556 1 32 GLY HA3 1 33 SER H . . 2.900 2.541 2.463 3.057 0.157 6 0 "[ . 1 . 2]" 1
557 1 33 SER H 1 33 SER HA . . 2.680 2.649 2.210 2.777 0.097 17 0 "[ . 1 . 2]" 1
558 1 33 SER H 1 34 LEU H . . 3.110 2.867 2.653 3.195 0.085 6 0 "[ . 1 . 2]" 1
559 1 34 LEU H 1 34 LEU HB2 . . 3.270 2.234 1.986 3.117 . 0 0 "[ . 1 . 2]" 1
560 1 34 LEU H 1 34 LEU QB . . 3.050 2.018 1.967 2.361 . 0 0 "[ . 1 . 2]" 1
561 1 34 LEU H 1 34 LEU HB3 . . 3.270 2.986 2.098 3.406 0.136 6 0 "[ . 1 . 2]" 1
562 1 34 LEU H 1 34 LEU HG . . 3.840 3.672 3.379 3.989 0.149 16 0 "[ . 1 . 2]" 1
563 1 34 LEU H 1 35 ARG H . . 3.640 2.666 2.008 2.846 . 0 0 "[ . 1 . 2]" 1
564 1 34 LEU HA 1 34 LEU HB2 . . 2.930 2.734 2.249 2.919 . 0 0 "[ . 1 . 2]" 1
565 1 34 LEU HA 1 34 LEU HB3 . . 2.930 2.863 2.766 2.958 0.028 16 0 "[ . 1 . 2]" 1
566 1 34 LEU HA 1 34 LEU HG . . 3.210 2.638 2.104 3.324 0.114 17 0 "[ . 1 . 2]" 1
567 1 34 LEU QB 1 34 LEU HG . . 2.600 2.403 2.356 2.525 . 0 0 "[ . 1 . 2]" 1
568 1 34 LEU QB 1 35 ARG H . . 3.660 2.553 2.350 2.779 . 0 0 "[ . 1 . 2]" 1
569 1 34 LEU HB2 1 35 ARG H . . 4.040 3.229 2.856 4.101 0.061 4 0 "[ . 1 . 2]" 1
570 1 34 LEU HB3 1 35 ARG H . . 4.040 2.716 2.425 3.059 . 0 0 "[ . 1 . 2]" 1
571 1 34 LEU QD 1 35 ARG H . . 6.760 3.780 3.314 4.081 . 0 0 "[ . 1 . 2]" 1
572 1 34 LEU QD 1 35 ARG HA . . 7.940 4.710 4.055 5.224 . 0 0 "[ . 1 . 2]" 1
573 1 35 ARG H 1 36 ALA H . . 3.610 3.126 2.865 3.396 . 0 0 "[ . 1 . 2]" 1
574 1 35 ARG HA 1 35 ARG QD . . 5.110 3.263 2.310 4.287 . 0 0 "[ . 1 . 2]" 1
575 1 35 ARG HA 1 35 ARG HG2 . . 4.070 3.189 2.064 3.725 . 0 0 "[ . 1 . 2]" 1
576 1 35 ARG HA 1 35 ARG QG . . 3.700 2.293 2.028 3.291 . 0 0 "[ . 1 . 2]" 1
577 1 35 ARG HA 1 35 ARG HG3 . . 4.070 2.575 2.154 3.817 . 0 0 "[ . 1 . 2]" 1
578 1 36 ALA HA 1 37 VAL H . . 2.830 2.396 2.387 2.410 . 0 0 "[ . 1 . 2]" 1
579 1 36 ALA HA 1 37 VAL QG . . 7.220 3.144 3.007 3.310 . 0 0 "[ . 1 . 2]" 1
580 1 36 ALA HA 1 51 PRO QD . . 4.140 2.279 2.104 2.546 . 0 0 "[ . 1 . 2]" 1
581 1 36 ALA HA 1 51 PRO QG . . 5.320 2.822 2.512 3.328 . 0 0 "[ . 1 . 2]" 1
582 1 36 ALA MB 1 37 VAL H . . 3.990 2.689 2.603 2.775 . 0 0 "[ . 1 . 2]" 1
583 1 36 ALA MB 1 48 CYS HA . . 5.750 4.083 3.877 4.612 . 0 0 "[ . 1 . 2]" 1
584 1 36 ALA MB 1 48 CYS QB . . 5.850 2.752 2.323 3.440 . 0 0 "[ . 1 . 2]" 1
585 1 36 ALA MB 1 49 ALA H . . 5.440 3.233 2.953 3.590 . 0 0 "[ . 1 . 2]" 1
586 1 36 ALA MB 1 50 ASP H . . 6.430 5.106 4.898 5.232 . 0 0 "[ . 1 . 2]" 1
587 1 36 ALA MB 1 51 PRO QD . . 6.440 3.325 3.057 3.700 . 0 0 "[ . 1 . 2]" 1
588 1 36 ALA MB 1 51 PRO QG . . 7.400 4.263 4.003 4.682 . 0 0 "[ . 1 . 2]" 1
589 1 37 VAL H 1 49 ALA H . . 3.670 2.961 2.533 3.537 . 0 0 "[ . 1 . 2]" 1
590 1 37 VAL H 1 49 ALA MB . . 5.970 3.912 3.768 4.155 . 0 0 "[ . 1 . 2]" 1
591 1 37 VAL HA 1 37 VAL HB . . 2.400 2.358 2.292 2.475 0.075 4 0 "[ . 1 . 2]" 1
592 1 37 VAL HA 1 38 ILE H . . 2.770 2.196 2.181 2.218 . 0 0 "[ . 1 . 2]" 1
593 1 37 VAL HA 1 38 ILE MD . . 5.780 4.692 4.107 4.870 . 0 0 "[ . 1 . 2]" 1
594 1 37 VAL HB 1 38 ILE H . . 3.580 3.439 3.222 3.606 0.026 2 0 "[ . 1 . 2]" 1
595 1 37 VAL HB 1 49 ALA MB . . 5.350 4.197 3.972 4.335 . 0 0 "[ . 1 . 2]" 1
596 1 37 VAL HB 1 51 PRO QD . . 6.380 5.474 5.377 5.572 . 0 0 "[ . 1 . 2]" 1
597 1 37 VAL QG 1 38 ILE H . . 5.370 3.574 3.419 3.674 . 0 0 "[ . 1 . 2]" 1
598 1 37 VAL QG 1 38 ILE MG . . 9.120 5.068 4.920 5.186 . 0 0 "[ . 1 . 2]" 1
599 1 37 VAL QG 1 39 PHE QD . . 10.210 3.151 2.095 3.779 . 0 0 "[ . 1 . 2]" 1
600 1 37 VAL QG 1 39 PHE QE . . 9.340 2.480 1.834 3.568 . 0 0 "[ . 1 . 2]" 1
601 1 37 VAL QG 1 50 ASP H . . 7.650 3.770 3.637 3.856 . 0 0 "[ . 1 . 2]" 1
602 1 37 VAL QG 1 51 PRO HA . . 5.050 2.450 2.106 2.606 . 0 0 "[ . 1 . 2]" 1
603 1 37 VAL QG 1 51 PRO QB . . 6.550 1.923 1.818 2.106 . 0 0 "[ . 1 . 2]" 1
604 1 37 VAL QG 1 51 PRO QG . . 7.850 2.550 2.378 2.767 . 0 0 "[ . 1 . 2]" 1
605 1 37 VAL QG 1 56 VAL MG1 . . 8.620 1.805 1.716 2.068 . 0 0 "[ . 1 . 2]" 1
606 1 37 VAL QG 1 56 VAL MG2 . . 9.120 3.219 2.870 3.589 . 0 0 "[ . 1 . 2]" 1
607 1 37 VAL QG 1 60 VAL MG1 . . 9.120 3.975 3.497 4.746 . 0 0 "[ . 1 . 2]" 1
608 1 37 VAL QG 1 60 VAL MG2 . . 8.400 2.850 2.611 3.341 . 0 0 "[ . 1 . 2]" 1
609 1 37 VAL MG1 1 38 ILE H . . 6.250 4.217 3.984 4.356 . 0 0 "[ . 1 . 2]" 1
610 1 37 VAL MG1 1 49 ALA MB . . 7.560 3.904 3.502 4.431 . 0 0 "[ . 1 . 2]" 1
611 1 37 VAL MG1 1 51 PRO HA . . 6.090 2.550 2.208 2.918 . 0 0 "[ . 1 . 2]" 1
612 1 37 VAL MG1 1 51 PRO HB2 . . 8.470 3.348 3.232 3.507 . 0 0 "[ . 1 . 2]" 1
613 1 37 VAL MG1 1 51 PRO HB3 . . 8.470 1.942 1.835 2.130 . 0 0 "[ . 1 . 2]" 1
614 1 37 VAL MG2 1 38 ILE H . . 6.250 3.876 3.589 4.039 . 0 0 "[ . 1 . 2]" 1
615 1 37 VAL MG2 1 49 ALA MB . . 7.560 1.892 1.792 2.071 . 0 0 "[ . 1 . 2]" 1
616 1 37 VAL MG2 1 51 PRO HA . . 6.090 3.320 2.659 3.841 . 0 0 "[ . 1 . 2]" 1
617 1 37 VAL MG2 1 51 PRO HB2 . . 8.470 5.087 4.526 5.526 . 0 0 "[ . 1 . 2]" 1
618 1 37 VAL MG2 1 51 PRO HB3 . . 8.470 3.808 3.243 4.254 . 0 0 "[ . 1 . 2]" 1
619 1 38 ILE H 1 38 ILE HB . . 3.140 2.444 2.405 2.511 . 0 0 "[ . 1 . 2]" 1
620 1 38 ILE H 1 38 ILE MD . . 5.320 3.775 3.385 3.947 . 0 0 "[ . 1 . 2]" 1
621 1 38 ILE H 1 38 ILE HG12 . . 4.720 2.588 2.357 2.792 . 0 0 "[ . 1 . 2]" 1
622 1 38 ILE H 1 38 ILE QG . . 4.430 2.545 2.331 2.750 . 0 0 "[ . 1 . 2]" 1
623 1 38 ILE H 1 38 ILE HG13 . . 4.720 3.772 3.488 4.122 . 0 0 "[ . 1 . 2]" 1
624 1 38 ILE HA 1 39 PHE H . . 2.830 2.201 2.177 2.219 . 0 0 "[ . 1 . 2]" 1
625 1 38 ILE HA 1 39 PHE QB . . 6.130 4.075 3.907 4.196 . 0 0 "[ . 1 . 2]" 1
626 1 38 ILE HA 1 48 CYS HA . . 3.080 2.218 2.068 2.361 . 0 0 "[ . 1 . 2]" 1
627 1 38 ILE HA 1 48 CYS HB2 . . 5.160 4.806 3.894 5.246 0.086 19 0 "[ . 1 . 2]" 1
628 1 38 ILE HA 1 48 CYS QB . . 4.930 3.834 3.437 4.158 . 0 0 "[ . 1 . 2]" 1
629 1 38 ILE HA 1 48 CYS HB3 . . 5.160 4.076 3.546 4.361 . 0 0 "[ . 1 . 2]" 1
630 1 38 ILE HA 1 49 ALA H . . 3.860 3.590 3.295 3.847 . 0 0 "[ . 1 . 2]" 1
631 1 38 ILE MD 1 39 PHE H . . 5.410 3.558 3.403 3.816 . 0 0 "[ . 1 . 2]" 1
632 1 38 ILE MD 1 39 PHE QB . . 7.340 5.107 4.954 5.223 . 0 0 "[ . 1 . 2]" 1
633 1 38 ILE MD 1 48 CYS H . . 6.400 3.756 3.251 4.207 . 0 0 "[ . 1 . 2]" 1
634 1 38 ILE MD 1 48 CYS HB2 . . 5.970 3.125 1.959 3.962 . 0 0 "[ . 1 . 2]" 1
635 1 38 ILE MD 1 48 CYS QB . . 5.530 2.169 1.707 2.798 . 0 0 "[ . 1 . 2]" 1
636 1 38 ILE MD 1 48 CYS HB3 . . 5.970 2.239 1.872 2.860 . 0 0 "[ . 1 . 2]" 1
637 1 38 ILE MD 1 49 ALA H . . 6.530 3.604 2.899 4.229 . 0 0 "[ . 1 . 2]" 1
638 1 38 ILE MG 1 39 PHE H . . 5.010 2.612 2.322 3.101 . 0 0 "[ . 1 . 2]" 1
639 1 38 ILE MG 1 39 PHE QB . . 6.630 4.184 4.036 4.395 . 0 0 "[ . 1 . 2]" 1
640 1 38 ILE MG 1 40 ILE H . . 6.030 4.077 3.914 4.265 . 0 0 "[ . 1 . 2]" 1
641 1 38 ILE MG 1 40 ILE HA . . 6.120 4.156 4.056 4.249 . 0 0 "[ . 1 . 2]" 1
642 1 38 ILE MG 1 47 VAL H . . 5.230 3.044 2.765 3.321 . 0 0 "[ . 1 . 2]" 1
643 1 38 ILE MG 1 48 CYS HA . . 5.040 3.562 3.203 3.887 . 0 0 "[ . 1 . 2]" 1
644 1 38 ILE MG 1 48 CYS QB . . 6.440 4.317 3.757 4.602 . 0 0 "[ . 1 . 2]" 1
645 1 39 PHE H 1 47 VAL HB . . 5.500 4.609 3.997 4.941 . 0 0 "[ . 1 . 2]" 1
646 1 39 PHE H 1 47 VAL QG . . 7.900 2.645 2.057 3.545 . 0 0 "[ . 1 . 2]" 1
647 1 39 PHE H 1 48 CYS HA . . 3.550 3.362 3.048 3.553 0.003 15 0 "[ . 1 . 2]" 1
648 1 39 PHE HA 1 40 ILE H . . 2.900 2.194 2.193 2.194 . 0 0 "[ . 1 . 2]" 1
649 1 39 PHE QB 1 47 VAL HB . . 5.570 3.922 3.246 4.246 . 0 0 "[ . 1 . 2]" 1
650 1 39 PHE QB 1 47 VAL MG1 . . 7.400 1.974 1.781 3.186 . 0 0 "[ . 1 . 2]" 1
651 1 39 PHE QB 1 47 VAL QG . . 7.080 1.969 1.779 3.131 . 0 0 "[ . 1 . 2]" 1
652 1 39 PHE QB 1 47 VAL MG2 . . 7.400 4.470 4.040 4.653 . 0 0 "[ . 1 . 2]" 1
653 1 39 PHE QD 1 40 ILE H . . 7.400 3.853 3.092 4.472 . 0 0 "[ . 1 . 2]" 1
654 1 39 PHE QD 1 47 VAL QG . . 9.620 2.932 2.417 3.633 . 0 0 "[ . 1 . 2]" 1
655 1 39 PHE QD 1 49 ALA MB . . 8.650 2.565 1.962 3.535 . 0 0 "[ . 1 . 2]" 1
656 1 39 PHE QE 1 47 VAL QG . . 10.150 4.654 4.141 5.112 . 0 0 "[ . 1 . 2]" 1
657 1 39 PHE QE 1 49 ALA MB . . 7.600 2.498 1.827 4.069 . 0 0 "[ . 1 . 2]" 1
658 1 39 PHE QE 1 56 VAL HA . . 7.620 3.654 2.907 4.182 . 0 0 "[ . 1 . 2]" 1
659 1 39 PHE QE 1 56 VAL MG1 . . 7.250 2.227 1.957 2.714 . 0 0 "[ . 1 . 2]" 1
660 1 39 PHE QE 1 56 VAL MG2 . . 7.690 2.852 2.054 4.149 . 0 0 "[ . 1 . 2]" 1
661 1 39 PHE QE 1 59 VAL H . . 7.620 5.470 4.879 5.846 . 0 0 "[ . 1 . 2]" 1
662 1 39 PHE QE 1 59 VAL QG . . 9.090 2.465 1.941 3.031 . 0 0 "[ . 1 . 2]" 1
663 1 39 PHE QE 1 60 VAL H . . 7.620 4.283 3.865 4.645 . 0 0 "[ . 1 . 2]" 1
664 1 39 PHE QE 1 60 VAL MG2 . . 7.530 2.367 1.793 2.958 . 0 0 "[ . 1 . 2]" 1
665 1 40 ILE H 1 40 ILE HB . . 3.330 2.615 2.375 2.683 . 0 0 "[ . 1 . 2]" 1
666 1 40 ILE H 1 40 ILE HG12 . . 4.540 3.331 2.974 4.213 . 0 0 "[ . 1 . 2]" 1
667 1 40 ILE H 1 40 ILE QG . . 4.360 2.254 2.103 2.950 . 0 0 "[ . 1 . 2]" 1
668 1 40 ILE H 1 40 ILE HG13 . . 4.540 2.293 2.131 3.012 . 0 0 "[ . 1 . 2]" 1
669 1 40 ILE H 1 46 LYS QE . . 6.380 5.718 5.391 5.790 . 0 0 "[ . 1 . 2]" 1
670 1 40 ILE HA 1 40 ILE MD . . 4.510 3.808 3.707 3.871 . 0 0 "[ . 1 . 2]" 1
671 1 40 ILE HA 1 41 THR H . . 2.800 2.210 2.184 2.270 . 0 0 "[ . 1 . 2]" 1
672 1 40 ILE HB 1 41 THR H . . 4.170 4.102 3.859 4.229 0.059 19 0 "[ . 1 . 2]" 1
673 1 40 ILE MD 1 41 THR H . . 6.340 5.103 4.887 5.259 . 0 0 "[ . 1 . 2]" 1
674 1 40 ILE MD 1 46 LYS HB2 . . 5.690 3.907 3.343 4.718 . 0 0 "[ . 1 . 2]" 1
675 1 40 ILE MD 1 46 LYS QB . . 5.540 3.229 2.874 4.073 . 0 0 "[ . 1 . 2]" 1
676 1 40 ILE MD 1 46 LYS HB3 . . 5.690 3.493 3.088 4.664 . 0 0 "[ . 1 . 2]" 1
677 1 40 ILE MD 1 46 LYS QD . . 5.760 3.248 1.882 4.036 . 0 0 "[ . 1 . 2]" 1
678 1 40 ILE MD 1 46 LYS QE . . 6.850 2.412 1.830 2.921 . 0 0 "[ . 1 . 2]" 1
679 1 40 ILE MD 1 46 LYS QG . . 6.660 4.076 1.994 4.786 . 0 0 "[ . 1 . 2]" 1
680 1 40 ILE QG 1 46 LYS QE . . 7.250 2.832 2.229 3.642 . 0 0 "[ . 1 . 2]" 1
681 1 40 ILE HG12 1 47 VAL H . . 5.250 4.316 3.638 5.341 0.091 19 0 "[ . 1 . 2]" 1
682 1 40 ILE HG13 1 47 VAL H . . 5.250 5.062 3.919 5.339 0.089 18 0 "[ . 1 . 2]" 1
683 1 40 ILE MG 1 41 THR H . . 4.730 2.540 2.285 2.838 . 0 0 "[ . 1 . 2]" 1
684 1 40 ILE MG 1 41 THR HA . . 5.750 4.156 3.889 4.306 . 0 0 "[ . 1 . 2]" 1
685 1 40 ILE MG 1 44 GLY HA2 . . 5.130 2.928 2.742 3.027 . 0 0 "[ . 1 . 2]" 1
686 1 40 ILE MG 1 44 GLY QA . . 4.860 2.880 2.705 2.975 . 0 0 "[ . 1 . 2]" 1
687 1 40 ILE MG 1 44 GLY HA3 . . 5.130 4.280 4.127 4.386 . 0 0 "[ . 1 . 2]" 1
688 1 40 ILE MG 1 45 LEU H . . 6.220 4.116 3.831 4.381 . 0 0 "[ . 1 . 2]" 1
689 1 40 ILE MG 1 46 LYS H . . 6.250 4.190 3.885 4.576 . 0 0 "[ . 1 . 2]" 1
690 1 40 ILE MG 1 46 LYS HA . . 5.320 3.290 2.551 3.595 . 0 0 "[ . 1 . 2]" 1
691 1 40 ILE MG 1 46 LYS QE . . 6.500 3.291 1.734 4.032 . 0 0 "[ . 1 . 2]" 1
692 1 40 ILE MG 1 46 LYS QG . . 7.400 3.444 1.940 4.525 . 0 0 "[ . 1 . 2]" 1
693 1 41 THR H 1 41 THR MG . . 4.390 2.793 2.578 3.016 . 0 0 "[ . 1 . 2]" 1
694 1 41 THR H 1 44 GLY H . . 4.110 3.526 3.406 3.630 . 0 0 "[ . 1 . 2]" 1
695 1 41 THR H 1 45 LEU H . . 3.580 3.339 3.125 3.476 . 0 0 "[ . 1 . 2]" 1
696 1 41 THR HA 1 41 THR HB . . 2.830 2.633 2.578 2.700 . 0 0 "[ . 1 . 2]" 1
697 1 41 THR HA 1 42 LYS H . . 2.800 2.466 2.442 2.532 . 0 0 "[ . 1 . 2]" 1
698 1 41 THR HB 1 42 LYS H . . 2.930 2.537 2.383 2.605 . 0 0 "[ . 1 . 2]" 1
699 1 41 THR HB 1 43 ARG H . . 3.610 2.566 2.281 2.986 . 0 0 "[ . 1 . 2]" 1
700 1 41 THR HB 1 45 LEU H . . 3.920 3.940 3.707 4.019 0.099 10 0 "[ . 1 . 2]" 1
701 1 41 THR MG 1 42 LYS H . . 4.360 3.594 3.436 3.698 . 0 0 "[ . 1 . 2]" 1
702 1 41 THR MG 1 43 ARG H . . 5.720 4.243 4.015 4.599 . 0 0 "[ . 1 . 2]" 1
703 1 41 THR MG 1 45 LEU H . . 5.630 4.304 4.056 4.554 . 0 0 "[ . 1 . 2]" 1
704 1 41 THR MG 1 45 LEU QB . . 6.200 3.590 3.116 4.128 . 0 0 "[ . 1 . 2]" 1
705 1 42 LYS H 1 42 LYS QB . . 3.120 2.328 1.991 2.573 . 0 0 "[ . 1 . 2]" 1
706 1 42 LYS H 1 42 LYS QE . . 6.380 2.605 1.886 4.057 . 0 0 "[ . 1 . 2]" 1
707 1 42 LYS H 1 43 ARG H . . 3.450 2.656 2.514 2.811 . 0 0 "[ . 1 . 2]" 1
708 1 42 LYS H 1 44 GLY H . . 4.350 4.022 3.891 4.152 . 0 0 "[ . 1 . 2]" 1
709 1 42 LYS HA 1 42 LYS HE2 . . 5.500 4.213 2.806 5.571 0.071 7 0 "[ . 1 . 2]" 1
710 1 42 LYS HA 1 42 LYS QE . . 4.900 3.610 2.756 4.129 . 0 0 "[ . 1 . 2]" 1
711 1 42 LYS HA 1 42 LYS HE3 . . 5.500 4.426 3.291 5.355 . 0 0 "[ . 1 . 2]" 1
712 1 42 LYS HA 1 44 GLY H . . 3.700 3.687 3.557 3.725 0.025 1 0 "[ . 1 . 2]" 1
713 1 42 LYS QB 1 42 LYS QE . . 4.540 2.596 1.943 3.717 . 0 0 "[ . 1 . 2]" 1
714 1 42 LYS QB 1 43 ARG H . . 4.490 3.128 2.503 3.874 . 0 0 "[ . 1 . 2]" 1
715 1 42 LYS HB2 1 42 LYS HE2 . . 5.190 3.980 3.479 5.105 . 0 0 "[ . 1 . 2]" 1
716 1 42 LYS HB2 1 42 LYS HE3 . . 5.190 3.694 1.986 4.863 . 0 0 "[ . 1 . 2]" 1
717 1 42 LYS HB3 1 42 LYS HE2 . . 5.190 3.970 1.965 4.992 . 0 0 "[ . 1 . 2]" 1
718 1 42 LYS HB3 1 42 LYS HE3 . . 5.190 3.924 2.351 5.046 . 0 0 "[ . 1 . 2]" 1
719 1 42 LYS QG 1 43 ARG H . . 6.380 3.796 2.212 4.619 . 0 0 "[ . 1 . 2]" 1
720 1 43 ARG H 1 43 ARG HB2 . . 3.360 2.103 2.022 2.359 . 0 0 "[ . 1 . 2]" 1
721 1 43 ARG H 1 43 ARG QB . . 3.000 2.059 2.002 2.201 . 0 0 "[ . 1 . 2]" 1
722 1 43 ARG H 1 43 ARG HB3 . . 3.360 3.070 2.620 3.338 . 0 0 "[ . 1 . 2]" 1
723 1 43 ARG H 1 43 ARG QG . . 5.010 3.641 3.330 3.911 . 0 0 "[ . 1 . 2]" 1
724 1 43 ARG H 1 44 GLY H . . 3.020 2.586 2.291 2.776 . 0 0 "[ . 1 . 2]" 1
725 1 43 ARG H 1 45 LEU H . . 3.830 3.697 3.415 3.870 0.040 18 0 "[ . 1 . 2]" 1
726 1 43 ARG HA 1 43 ARG QD . . 4.800 3.682 3.386 3.981 . 0 0 "[ . 1 . 2]" 1
727 1 43 ARG HA 1 43 ARG HG2 . . 3.210 2.593 1.977 3.222 0.012 19 0 "[ . 1 . 2]" 1
728 1 43 ARG HA 1 43 ARG QG . . 2.930 2.032 1.959 2.307 . 0 0 "[ . 1 . 2]" 1
729 1 43 ARG HA 1 43 ARG HG3 . . 3.210 2.629 1.976 3.217 0.007 8 0 "[ . 1 . 2]" 1
730 1 43 ARG HA 1 44 GLY H . . 3.520 3.491 3.464 3.513 . 0 0 "[ . 1 . 2]" 1
731 1 43 ARG QB 1 43 ARG QG . . 2.450 2.077 2.069 2.091 . 0 0 "[ . 1 . 2]" 1
732 1 43 ARG QB 1 45 LEU QD . . 8.110 3.040 2.189 3.940 . 0 0 "[ . 1 . 2]" 1
733 1 43 ARG QD 1 45 LEU QD . . 8.970 3.272 1.819 4.511 . 0 0 "[ . 1 . 2]" 1
734 1 43 ARG QG 1 44 GLY H . . 5.420 4.600 4.375 4.677 . 0 0 "[ . 1 . 2]" 1
735 1 44 GLY H 1 44 GLY HA2 . . 2.930 2.357 2.310 2.385 . 0 0 "[ . 1 . 2]" 1
736 1 44 GLY H 1 44 GLY HA3 . . 2.930 2.942 2.917 2.951 0.021 19 0 "[ . 1 . 2]" 1
737 1 44 GLY H 1 45 LEU H . . 2.900 2.237 2.121 2.341 . 0 0 "[ . 1 . 2]" 1
738 1 45 LEU H 1 45 LEU MD1 . . 5.630 3.643 2.870 4.232 . 0 0 "[ . 1 . 2]" 1
739 1 45 LEU H 1 45 LEU MD2 . . 5.630 4.323 4.063 4.445 . 0 0 "[ . 1 . 2]" 1
740 1 45 LEU H 1 45 LEU HG . . 3.790 3.781 3.651 3.859 0.069 15 0 "[ . 1 . 2]" 1
741 1 45 LEU HA 1 45 LEU MD1 . . 4.610 3.111 2.286 3.662 . 0 0 "[ . 1 . 2]" 1
742 1 45 LEU HA 1 45 LEU QD . . 4.060 2.657 2.271 2.925 . 0 0 "[ . 1 . 2]" 1
743 1 45 LEU HA 1 45 LEU MD2 . . 4.610 3.316 2.684 3.992 . 0 0 "[ . 1 . 2]" 1
744 1 45 LEU HA 1 45 LEU HG . . 3.980 2.671 2.081 3.709 . 0 0 "[ . 1 . 2]" 1
745 1 45 LEU QB 1 46 LYS H . . 4.800 3.638 3.300 3.878 . 0 0 "[ . 1 . 2]" 1
746 1 45 LEU QD 1 46 LYS H . . 5.380 3.062 1.887 3.983 . 0 0 "[ . 1 . 2]" 1
747 1 45 LEU MD1 1 46 LYS H . . 6.060 4.100 1.889 5.142 . 0 0 "[ . 1 . 2]" 1
748 1 45 LEU MD2 1 46 LYS H . . 6.060 3.980 3.058 5.010 . 0 0 "[ . 1 . 2]" 1
749 1 45 LEU HG 1 46 LYS H . . 4.110 4.006 3.690 4.153 0.043 2 0 "[ . 1 . 2]" 1
750 1 46 LYS H 1 46 LYS QB . . 3.790 2.703 2.136 2.958 . 0 0 "[ . 1 . 2]" 1
751 1 46 LYS H 1 46 LYS HD2 . . 4.970 4.412 3.887 5.012 0.042 6 0 "[ . 1 . 2]" 1
752 1 46 LYS H 1 46 LYS QD . . 4.830 3.996 3.689 4.217 . 0 0 "[ . 1 . 2]" 1
753 1 46 LYS H 1 46 LYS HD3 . . 4.970 4.648 4.094 5.026 0.056 11 0 "[ . 1 . 2]" 1
754 1 46 LYS H 1 46 LYS QG . . 4.580 2.301 1.899 3.630 . 0 0 "[ . 1 . 2]" 1
755 1 46 LYS HA 1 47 VAL H . . 2.710 2.222 2.186 2.239 . 0 0 "[ . 1 . 2]" 1
756 1 46 LYS HA 1 47 VAL MG1 . . 6.190 4.372 4.062 5.244 . 0 0 "[ . 1 . 2]" 1
757 1 46 LYS HA 1 47 VAL QG . . 5.700 4.109 3.941 4.233 . 0 0 "[ . 1 . 2]" 1
758 1 46 LYS HA 1 47 VAL MG2 . . 6.190 5.126 4.150 5.319 . 0 0 "[ . 1 . 2]" 1
759 1 46 LYS QB 1 46 LYS QD . . 3.060 2.351 2.025 2.483 . 0 0 "[ . 1 . 2]" 1
760 1 46 LYS QB 1 46 LYS QE . . 3.680 2.040 1.867 2.830 . 0 0 "[ . 1 . 2]" 1
761 1 46 LYS QB 1 47 VAL H . . 4.640 3.169 3.049 3.532 . 0 0 "[ . 1 . 2]" 1
762 1 46 LYS HB2 1 46 LYS HD2 . . 3.950 3.427 2.255 3.769 . 0 0 "[ . 1 . 2]" 1
763 1 46 LYS HB2 1 46 LYS HD3 . . 3.950 3.213 2.102 3.940 . 0 0 "[ . 1 . 2]" 1
764 1 46 LYS HB2 1 46 LYS QE . . 4.050 2.493 1.914 3.543 . 0 0 "[ . 1 . 2]" 1
765 1 46 LYS HB3 1 46 LYS HD2 . . 3.950 3.115 2.384 3.932 . 0 0 "[ . 1 . 2]" 1
766 1 46 LYS HB3 1 46 LYS HD3 . . 3.950 3.461 2.875 4.024 0.074 11 0 "[ . 1 . 2]" 1
767 1 46 LYS HB3 1 46 LYS QE . . 4.050 2.393 1.945 3.679 . 0 0 "[ . 1 . 2]" 1
768 1 46 LYS QD 1 47 VAL H . . 6.040 5.348 4.999 5.479 . 0 0 "[ . 1 . 2]" 1
769 1 46 LYS QE 1 47 VAL H . . 6.380 5.005 4.201 5.612 . 0 0 "[ . 1 . 2]" 1
770 1 46 LYS QG 1 47 VAL H . . 6.350 4.025 3.454 4.586 . 0 0 "[ . 1 . 2]" 1
771 1 47 VAL H 1 47 VAL HB . . 3.270 2.748 2.535 2.914 . 0 0 "[ . 1 . 2]" 1
772 1 47 VAL HA 1 48 CYS H . . 2.560 2.505 2.321 2.616 0.056 8 0 "[ . 1 . 2]" 1
773 1 47 VAL HB 1 48 CYS H . . 4.170 4.037 3.861 4.216 0.046 5 0 "[ . 1 . 2]" 1
774 1 47 VAL QG 1 48 CYS H . . 4.880 2.006 1.823 2.223 . 0 0 "[ . 1 . 2]" 1
775 1 47 VAL MG1 1 48 CYS H . . 5.600 2.705 2.255 3.375 . 0 0 "[ . 1 . 2]" 1
776 1 47 VAL MG2 1 48 CYS H . . 5.600 2.132 1.840 3.374 . 0 0 "[ . 1 . 2]" 1
777 1 48 CYS H 1 48 CYS QB . . 3.700 2.761 2.562 3.115 . 0 0 "[ . 1 . 2]" 1
778 1 48 CYS HA 1 49 ALA H . . 2.900 2.369 2.287 2.433 . 0 0 "[ . 1 . 2]" 1
779 1 48 CYS HA 1 49 ALA MB . . 5.880 3.816 3.744 3.881 . 0 0 "[ . 1 . 2]" 1
780 1 48 CYS QB 1 49 ALA H . . 4.010 2.809 2.616 3.039 . 0 0 "[ . 1 . 2]" 1
781 1 48 CYS HB2 1 49 ALA H . . 4.290 3.369 2.792 3.871 . 0 0 "[ . 1 . 2]" 1
782 1 48 CYS HB3 1 49 ALA H . . 4.290 3.306 2.692 4.267 . 0 0 "[ . 1 . 2]" 1
783 1 49 ALA HA 1 50 ASP H . . 2.770 2.374 2.306 2.399 . 0 0 "[ . 1 . 2]" 1
784 1 49 ALA MB 1 50 ASP H . . 4.170 2.718 2.630 2.873 . 0 0 "[ . 1 . 2]" 1
785 1 49 ALA MB 1 50 ASP QB . . 6.410 4.178 4.122 4.320 . 0 0 "[ . 1 . 2]" 1
786 1 49 ALA MB 1 55 TRP HZ2 . . 4.920 3.673 3.042 4.069 . 0 0 "[ . 1 . 2]" 1
787 1 49 ALA MB 1 56 VAL MG1 . . 6.530 2.489 1.974 3.037 . 0 0 "[ . 1 . 2]" 1
788 1 49 ALA MB 1 56 VAL MG2 . . 6.010 2.297 1.977 2.621 . 0 0 "[ . 1 . 2]" 1
789 1 50 ASP H 1 50 ASP QB . . 3.540 2.057 2.026 2.084 . 0 0 "[ . 1 . 2]" 1
790 1 50 ASP H 1 56 VAL MG2 . . 5.720 3.589 2.852 3.891 . 0 0 "[ . 1 . 2]" 1
791 1 50 ASP HA 1 51 PRO HD2 . . 3.080 2.460 2.397 2.523 . 0 0 "[ . 1 . 2]" 1
792 1 50 ASP HA 1 51 PRO HD3 . . 3.080 1.972 1.969 1.980 . 0 0 "[ . 1 . 2]" 1
793 1 50 ASP HA 1 51 PRO QG . . 5.630 3.881 3.869 3.897 . 0 0 "[ . 1 . 2]" 1
794 1 50 ASP HA 1 52 GLN H . . 3.980 3.609 3.551 3.665 . 0 0 "[ . 1 . 2]" 1
795 1 50 ASP QB 1 53 ALA H . . 4.000 3.148 2.613 3.359 . 0 0 "[ . 1 . 2]" 1
796 1 50 ASP QB 1 53 ALA MB . . 4.990 3.345 2.667 3.571 . 0 0 "[ . 1 . 2]" 1
797 1 50 ASP HB2 1 53 ALA H . . 4.260 4.242 4.183 4.304 0.044 20 0 "[ . 1 . 2]" 1
798 1 50 ASP HB2 1 53 ALA MB . . 5.350 3.807 3.592 3.987 . 0 0 "[ . 1 . 2]" 1
799 1 50 ASP HB3 1 53 ALA H . . 4.260 3.252 2.635 3.514 . 0 0 "[ . 1 . 2]" 1
800 1 50 ASP HB3 1 53 ALA MB . . 5.350 3.732 2.735 4.079 . 0 0 "[ . 1 . 2]" 1
801 1 51 PRO HA 1 56 VAL MG1 . . 4.230 2.608 2.236 3.137 . 0 0 "[ . 1 . 2]" 1
802 1 51 PRO QD 1 52 GLN H . . 4.740 2.692 2.584 2.736 . 0 0 "[ . 1 . 2]" 1
803 1 51 PRO QD 1 53 ALA H . . 6.380 4.627 4.471 4.682 . 0 0 "[ . 1 . 2]" 1
804 1 51 PRO HD2 1 52 GLN H . . 5.380 2.748 2.630 2.797 . 0 0 "[ . 1 . 2]" 1
805 1 51 PRO HD3 1 52 GLN H . . 5.380 3.847 3.790 3.872 . 0 0 "[ . 1 . 2]" 1
806 1 52 GLN H 1 52 GLN HB2 . . 3.240 2.503 2.300 3.458 0.218 20 0 "[ . 1 . 2]" 1
807 1 52 GLN H 1 52 GLN QB . . 2.970 2.249 2.198 2.888 . 0 0 "[ . 1 . 2]" 1
808 1 52 GLN H 1 52 GLN HB3 . . 3.240 2.654 2.376 3.095 . 0 0 "[ . 1 . 2]" 1
809 1 52 GLN H 1 52 GLN QG . . 4.670 3.895 1.725 4.017 . 0 0 "[ . 1 . 2]" 1
810 1 52 GLN H 1 53 ALA H . . 2.830 2.405 2.346 2.451 . 0 0 "[ . 1 . 2]" 1
811 1 52 GLN H 1 53 ALA MB . . 5.660 3.916 3.845 3.991 . 0 0 "[ . 1 . 2]" 1
812 1 52 GLN H 1 57 ARG QD . . 6.380 5.454 5.189 5.755 . 0 0 "[ . 1 . 2]" 1
813 1 52 GLN HA 1 52 GLN HB2 . . 3.020 2.587 2.444 2.701 . 0 0 "[ . 1 . 2]" 1
814 1 52 GLN HA 1 52 GLN HB3 . . 3.020 2.995 2.296 3.050 0.030 14 0 "[ . 1 . 2]" 1
815 1 52 GLN HA 1 52 GLN HG2 . . 3.640 3.163 2.448 3.610 . 0 0 "[ . 1 . 2]" 1
816 1 52 GLN HA 1 52 GLN QG . . 3.260 2.329 2.188 3.235 . 0 0 "[ . 1 . 2]" 1
817 1 52 GLN HA 1 52 GLN HG3 . . 3.640 2.707 2.209 3.652 0.012 20 0 "[ . 1 . 2]" 1
818 1 52 GLN HA 1 53 ALA H . . 3.450 3.427 3.376 3.483 0.033 20 0 "[ . 1 . 2]" 1
819 1 52 GLN HA 1 57 ARG QD . . 5.790 4.181 3.687 4.537 . 0 0 "[ . 1 . 2]" 1
820 1 52 GLN QB 1 52 GLN QG . . 2.370 2.068 2.064 2.123 . 0 0 "[ . 1 . 2]" 1
821 1 52 GLN HB2 1 52 GLN HG2 . . 2.930 2.822 2.791 3.037 0.107 20 0 "[ . 1 . 2]" 1
822 1 52 GLN HB2 1 52 GLN HG3 . . 2.930 2.695 2.268 2.954 0.024 16 0 "[ . 1 . 2]" 1
823 1 52 GLN HB3 1 52 GLN HG2 . . 2.930 2.515 2.267 2.963 0.033 8 0 "[ . 1 . 2]" 1
824 1 52 GLN HB3 1 52 GLN HG3 . . 2.930 2.822 2.792 3.038 0.108 20 0 "[ . 1 . 2]" 1
825 1 52 GLN QG 1 53 ALA HA . . 5.140 4.505 4.207 4.633 . 0 0 "[ . 1 . 2]" 1
826 1 53 ALA H 1 56 VAL HB . . 3.550 3.279 3.011 3.574 0.024 19 0 "[ . 1 . 2]" 1
827 1 53 ALA H 1 56 VAL MG1 . . 6.250 3.916 3.639 4.241 . 0 0 "[ . 1 . 2]" 1
828 1 53 ALA H 1 56 VAL MG2 . . 6.340 3.662 3.276 4.038 . 0 0 "[ . 1 . 2]" 1
829 1 53 ALA HA 1 54 THR H . . 2.620 2.217 2.191 2.246 . 0 0 "[ . 1 . 2]" 1
830 1 53 ALA HA 1 55 TRP H . . 4.040 3.992 3.889 4.062 0.022 7 0 "[ . 1 . 2]" 1
831 1 53 ALA MB 1 54 THR H . . 4.390 3.142 3.065 3.243 . 0 0 "[ . 1 . 2]" 1
832 1 53 ALA MB 1 55 TRP H . . 5.600 3.101 2.889 3.262 . 0 0 "[ . 1 . 2]" 1
833 1 53 ALA MB 1 55 TRP HD1 . . 5.750 2.388 2.064 2.864 . 0 0 "[ . 1 . 2]" 1
834 1 53 ALA MB 1 55 TRP HE1 . . 5.290 2.842 2.497 3.124 . 0 0 "[ . 1 . 2]" 1
835 1 53 ALA MB 1 56 VAL H . . 4.880 2.225 1.911 2.482 . 0 0 "[ . 1 . 2]" 1
836 1 53 ALA MB 1 56 VAL HA . . 5.500 4.046 3.797 4.257 . 0 0 "[ . 1 . 2]" 1
837 1 53 ALA MB 1 56 VAL HB . . 4.610 2.168 1.887 2.663 . 0 0 "[ . 1 . 2]" 1
838 1 53 ALA MB 1 56 VAL MG1 . . 7.560 3.309 2.960 3.649 . 0 0 "[ . 1 . 2]" 1
839 1 53 ALA MB 1 56 VAL MG2 . . 6.010 1.842 1.684 2.073 . 0 0 "[ . 1 . 2]" 1
840 1 53 ALA MB 1 57 ARG H . . 5.440 3.817 3.542 4.036 . 0 0 "[ . 1 . 2]" 1
841 1 54 THR H 1 54 THR HB . . 2.400 2.186 2.133 2.373 . 0 0 "[ . 1 . 2]" 1
842 1 54 THR H 1 54 THR MG . . 4.260 3.645 3.621 3.682 . 0 0 "[ . 1 . 2]" 1
843 1 54 THR H 1 55 TRP H . . 3.360 2.571 2.548 2.600 . 0 0 "[ . 1 . 2]" 1
844 1 54 THR H 1 56 VAL MG2 . . 6.530 5.024 4.822 5.271 . 0 0 "[ . 1 . 2]" 1
845 1 54 THR HA 1 57 ARG H . . 4.040 3.172 3.070 3.479 . 0 0 "[ . 1 . 2]" 1
846 1 54 THR HA 1 57 ARG QB . . 4.550 2.517 2.243 3.813 . 0 0 "[ . 1 . 2]" 1
847 1 54 THR HA 1 57 ARG QD . . 6.380 3.256 1.975 3.957 . 0 0 "[ . 1 . 2]" 1
848 1 54 THR HB 1 55 TRP H . . 2.990 2.837 2.745 2.898 . 0 0 "[ . 1 . 2]" 1
849 1 54 THR MG 1 55 TRP H . . 4.850 3.415 3.220 3.753 . 0 0 "[ . 1 . 2]" 1
850 1 54 THR MG 1 55 TRP HA . . 5.810 3.482 3.275 3.818 . 0 0 "[ . 1 . 2]" 1
851 1 54 THR MG 1 57 ARG H . . 5.970 4.560 4.405 4.933 . 0 0 "[ . 1 . 2]" 1
852 1 54 THR MG 1 57 ARG QD . . 7.400 4.580 3.548 4.993 . 0 0 "[ . 1 . 2]" 1
853 1 55 TRP H 1 55 TRP QB . . 3.660 2.207 2.115 2.273 . 0 0 "[ . 1 . 2]" 1
854 1 55 TRP H 1 55 TRP HD1 . . 3.360 2.835 2.603 3.140 . 0 0 "[ . 1 . 2]" 1
855 1 55 TRP H 1 56 VAL H . . 3.300 2.627 2.452 2.674 . 0 0 "[ . 1 . 2]" 1
856 1 55 TRP H 1 56 VAL MG2 . . 6.340 4.193 3.983 4.440 . 0 0 "[ . 1 . 2]" 1
857 1 55 TRP HA 1 55 TRP HB2 . . 2.960 2.290 2.252 2.326 . 0 0 "[ . 1 . 2]" 1
858 1 55 TRP HA 1 55 TRP HB3 . . 2.960 2.579 2.527 2.645 . 0 0 "[ . 1 . 2]" 1
859 1 55 TRP HA 1 55 TRP HE3 . . 4.420 3.771 3.530 3.964 . 0 0 "[ . 1 . 2]" 1
860 1 55 TRP HA 1 58 ASP H . . 3.830 3.287 3.180 3.418 . 0 0 "[ . 1 . 2]" 1
861 1 55 TRP HA 1 58 ASP HB2 . . 3.420 2.470 2.018 2.951 . 0 0 "[ . 1 . 2]" 1
862 1 55 TRP HA 1 58 ASP QB . . 3.210 2.348 2.002 2.706 . 0 0 "[ . 1 . 2]" 1
863 1 55 TRP HA 1 58 ASP HB3 . . 3.420 3.047 2.667 3.330 . 0 0 "[ . 1 . 2]" 1
864 1 55 TRP HA 1 59 VAL QG . . 7.220 3.872 3.428 5.030 . 0 0 "[ . 1 . 2]" 1
865 1 55 TRP QB 1 58 ASP QB . . 6.940 3.829 3.653 4.048 . 0 0 "[ . 1 . 2]" 1
866 1 55 TRP HD1 1 56 VAL H . . 5.500 3.349 2.957 3.810 . 0 0 "[ . 1 . 2]" 1
867 1 55 TRP HE3 1 59 VAL H . . 5.500 3.995 3.441 4.415 . 0 0 "[ . 1 . 2]" 1
868 1 55 TRP HE3 1 59 VAL QG . . 6.350 2.015 1.844 2.968 . 0 0 "[ . 1 . 2]" 1
869 1 55 TRP HZ2 1 56 VAL MG2 . . 6.160 2.787 2.626 3.078 . 0 0 "[ . 1 . 2]" 1
870 1 55 TRP HZ3 1 59 VAL QG . . 6.970 2.149 1.836 2.633 . 0 0 "[ . 1 . 2]" 1
871 1 56 VAL H 1 56 VAL HB . . 3.170 2.267 2.160 2.362 . 0 0 "[ . 1 . 2]" 1
872 1 56 VAL H 1 56 VAL MG2 . . 4.760 2.297 2.081 2.535 . 0 0 "[ . 1 . 2]" 1
873 1 56 VAL H 1 57 ARG H . . 3.170 2.691 2.616 2.780 . 0 0 "[ . 1 . 2]" 1
874 1 56 VAL H 1 58 ASP H . . 3.890 3.871 3.810 3.919 0.029 17 0 "[ . 1 . 2]" 1
875 1 56 VAL H 1 59 VAL H . . 4.570 4.604 4.487 4.695 0.125 14 0 "[ . 1 . 2]" 1
876 1 56 VAL HA 1 59 VAL H . . 3.860 3.420 3.231 3.557 . 0 0 "[ . 1 . 2]" 1
877 1 56 VAL HA 1 59 VAL MG1 . . 4.820 3.528 2.679 3.923 . 0 0 "[ . 1 . 2]" 1
878 1 56 VAL HA 1 59 VAL MG2 . . 4.820 2.957 1.889 4.018 . 0 0 "[ . 1 . 2]" 1
879 1 56 VAL HA 1 60 VAL H . . 4.110 4.017 3.814 4.158 0.048 5 0 "[ . 1 . 2]" 1
880 1 56 VAL HA 1 60 VAL MG2 . . 6.220 3.795 3.525 4.157 . 0 0 "[ . 1 . 2]" 1
881 1 56 VAL HB 1 57 ARG H . . 3.480 2.602 2.540 2.674 . 0 0 "[ . 1 . 2]" 1
882 1 56 VAL MG1 1 57 ARG H . . 5.660 3.186 2.946 3.394 . 0 0 "[ . 1 . 2]" 1
883 1 56 VAL MG1 1 57 ARG HA . . 6.190 3.241 3.016 3.457 . 0 0 "[ . 1 . 2]" 1
884 1 56 VAL MG1 1 57 ARG QG . . 6.820 3.735 3.264 4.461 . 0 0 "[ . 1 . 2]" 1
885 1 56 VAL MG1 1 59 VAL MG1 . . 7.400 4.355 2.929 5.012 . 0 0 "[ . 1 . 2]" 1
886 1 56 VAL MG1 1 59 VAL QG . . 6.980 3.520 2.910 4.164 . 0 0 "[ . 1 . 2]" 1
887 1 56 VAL MG1 1 59 VAL MG2 . . 7.400 4.249 3.040 5.036 . 0 0 "[ . 1 . 2]" 1
888 1 56 VAL MG2 1 57 ARG H . . 5.750 3.972 3.886 4.064 . 0 0 "[ . 1 . 2]" 1
889 1 56 VAL MG2 1 58 ASP H . . 6.530 5.270 5.195 5.369 . 0 0 "[ . 1 . 2]" 1
890 1 57 ARG H 1 57 ARG QB . . 3.870 2.057 2.002 2.515 . 0 0 "[ . 1 . 2]" 1
891 1 57 ARG H 1 57 ARG HG2 . . 4.690 4.219 1.903 4.552 . 0 0 "[ . 1 . 2]" 1
892 1 57 ARG H 1 57 ARG QG . . 4.080 3.200 1.891 3.611 . 0 0 "[ . 1 . 2]" 1
893 1 57 ARG H 1 57 ARG HG3 . . 4.690 3.378 2.901 3.788 . 0 0 "[ . 1 . 2]" 1
894 1 57 ARG H 1 58 ASP H . . 3.140 2.613 2.560 2.722 . 0 0 "[ . 1 . 2]" 1
895 1 57 ARG HA 1 57 ARG HG2 . . 3.730 2.788 2.416 3.661 . 0 0 "[ . 1 . 2]" 1
896 1 57 ARG HA 1 57 ARG QG . . 3.550 2.176 1.993 3.336 . 0 0 "[ . 1 . 2]" 1
897 1 57 ARG HA 1 57 ARG HG3 . . 3.730 2.314 2.020 3.845 0.115 5 0 "[ . 1 . 2]" 1
898 1 57 ARG HA 1 58 ASP H . . 3.520 3.572 3.564 3.584 0.064 3 0 "[ . 1 . 2]" 1
899 1 57 ARG HA 1 60 VAL H . . 3.640 3.276 3.152 3.390 . 0 0 "[ . 1 . 2]" 1
900 1 57 ARG HA 1 60 VAL HB . . 3.580 2.277 1.982 2.776 . 0 0 "[ . 1 . 2]" 1
901 1 57 ARG HA 1 60 VAL MG1 . . 6.000 3.509 3.201 3.938 . 0 0 "[ . 1 . 2]" 1
902 1 57 ARG HA 1 60 VAL MG2 . . 5.040 2.635 2.098 2.963 . 0 0 "[ . 1 . 2]" 1
903 1 57 ARG QB 1 58 ASP H . . 4.270 2.896 2.822 3.559 . 0 0 "[ . 1 . 2]" 1
904 1 57 ARG QG 1 58 ASP H . . 5.690 4.405 2.192 4.547 . 0 0 "[ . 1 . 2]" 1
905 1 57 ARG QG 1 60 VAL H . . 5.660 4.980 4.849 5.114 . 0 0 "[ . 1 . 2]" 1
906 1 58 ASP H 1 58 ASP HB2 . . 3.210 2.088 2.009 2.228 . 0 0 "[ . 1 . 2]" 1
907 1 58 ASP H 1 58 ASP QB . . 2.940 2.044 1.987 2.133 . 0 0 "[ . 1 . 2]" 1
908 1 58 ASP H 1 58 ASP HB3 . . 3.210 2.973 2.727 3.381 0.171 5 0 "[ . 1 . 2]" 1
909 1 58 ASP H 1 59 VAL H . . 3.240 2.601 2.546 2.665 . 0 0 "[ . 1 . 2]" 1
910 1 58 ASP H 1 60 VAL H . . 3.790 3.843 3.734 3.883 0.093 5 0 "[ . 1 . 2]" 1
911 1 58 ASP HA 1 61 ARG H . . 3.790 3.503 3.368 3.670 . 0 0 "[ . 1 . 2]" 1
912 1 58 ASP HA 1 61 ARG QD . . 6.380 5.416 5.067 5.667 . 0 0 "[ . 1 . 2]" 1
913 1 58 ASP QB 1 59 VAL H . . 3.300 2.503 2.407 2.641 . 0 0 "[ . 1 . 2]" 1
914 1 58 ASP QB 1 59 VAL QG . . 6.870 3.064 2.556 3.922 . 0 0 "[ . 1 . 2]" 1
915 1 58 ASP HB2 1 59 VAL H . . 3.610 3.296 2.822 3.564 . 0 0 "[ . 1 . 2]" 1
916 1 58 ASP HB2 1 59 VAL MG1 . . 8.280 5.300 3.763 6.372 . 0 0 "[ . 1 . 2]" 1
917 1 58 ASP HB2 1 59 VAL MG2 . . 8.280 4.616 3.766 5.705 . 0 0 "[ . 1 . 2]" 1
918 1 58 ASP HB3 1 59 VAL H . . 3.610 2.619 2.449 3.180 . 0 0 "[ . 1 . 2]" 1
919 1 58 ASP HB3 1 59 VAL MG1 . . 8.280 4.317 2.640 5.577 . 0 0 "[ . 1 . 2]" 1
920 1 58 ASP HB3 1 59 VAL MG2 . . 8.280 3.730 3.050 4.290 . 0 0 "[ . 1 . 2]" 1
921 1 59 VAL H 1 60 VAL H . . 3.170 2.556 2.492 2.648 . 0 0 "[ . 1 . 2]" 1
922 1 59 VAL HA 1 61 ARG H . . 4.140 4.191 4.141 4.215 0.075 15 0 "[ . 1 . 2]" 1
923 1 59 VAL HA 1 62 SER H . . 3.480 3.226 3.091 3.279 . 0 0 "[ . 1 . 2]" 1
924 1 59 VAL HA 1 62 SER HB2 . . 3.360 3.268 2.858 3.387 0.027 19 0 "[ . 1 . 2]" 1
925 1 59 VAL HA 1 62 SER HB3 . . 3.360 3.303 3.097 3.382 0.022 12 0 "[ . 1 . 2]" 1
926 1 59 VAL QG 1 60 VAL H . . 5.180 2.642 1.980 3.277 . 0 0 "[ . 1 . 2]" 1
927 1 59 VAL QG 1 60 VAL HA . . 7.130 3.158 2.897 3.454 . 0 0 "[ . 1 . 2]" 1
928 1 59 VAL QG 1 60 VAL MG1 . . 8.030 4.514 4.173 4.819 . 0 0 "[ . 1 . 2]" 1
929 1 59 VAL QG 1 60 VAL MG2 . . 7.160 2.773 2.183 3.316 . 0 0 "[ . 1 . 2]" 1
930 1 59 VAL QG 1 61 ARG H . . 8.000 4.339 4.127 4.551 . 0 0 "[ . 1 . 2]" 1
931 1 59 VAL QG 1 62 SER QB . . 8.100 3.632 3.159 4.104 . 0 0 "[ . 1 . 2]" 1
932 1 59 VAL QG 1 63 MET HA . . 7.780 4.658 3.879 5.726 . 0 0 "[ . 1 . 2]" 1
933 1 59 VAL QG 1 63 MET QG . . 6.820 2.642 1.857 4.129 . 0 0 "[ . 1 . 2]" 1
934 1 59 VAL MG1 1 60 VAL H . . 5.470 3.434 2.280 3.970 . 0 0 "[ . 1 . 2]" 1
935 1 59 VAL MG1 1 60 VAL MG2 . . 7.560 3.756 2.281 4.958 . 0 0 "[ . 1 . 2]" 1
936 1 59 VAL MG1 1 63 MET HG2 . . 8.500 3.609 1.951 5.384 . 0 0 "[ . 1 . 2]" 1
937 1 59 VAL MG1 1 63 MET HG3 . . 8.500 3.920 1.950 6.346 . 0 0 "[ . 1 . 2]" 1
938 1 59 VAL MG2 1 60 VAL H . . 5.470 3.363 1.986 4.307 . 0 0 "[ . 1 . 2]" 1
939 1 59 VAL MG2 1 60 VAL MG2 . . 7.560 3.899 2.187 5.126 . 0 0 "[ . 1 . 2]" 1
940 1 59 VAL MG2 1 63 MET HG2 . . 8.500 4.534 3.291 6.350 . 0 0 "[ . 1 . 2]" 1
941 1 59 VAL MG2 1 63 MET HG3 . . 8.500 4.582 2.878 7.079 . 0 0 "[ . 1 . 2]" 1
942 1 60 VAL H 1 60 VAL HB . . 2.800 2.218 2.104 2.391 . 0 0 "[ . 1 . 2]" 1
943 1 60 VAL H 1 60 VAL MG1 . . 4.790 3.637 3.570 3.695 . 0 0 "[ . 1 . 2]" 1
944 1 60 VAL H 1 60 VAL MG2 . . 4.230 2.440 2.174 2.721 . 0 0 "[ . 1 . 2]" 1
945 1 60 VAL H 1 61 ARG H . . 3.140 2.701 2.683 2.740 . 0 0 "[ . 1 . 2]" 1
946 1 60 VAL HA 1 62 SER H . . 4.480 4.434 4.010 4.518 0.038 19 0 "[ . 1 . 2]" 1
947 1 60 VAL HA 1 63 MET H . . 3.760 3.264 3.120 3.449 . 0 0 "[ . 1 . 2]" 1
948 1 60 VAL HA 1 63 MET QB . . 3.510 2.166 1.960 2.932 . 0 0 "[ . 1 . 2]" 1
949 1 60 VAL HA 1 63 MET HG2 . . 5.380 3.380 1.995 4.081 . 0 0 "[ . 1 . 2]" 1
950 1 60 VAL HA 1 63 MET HG3 . . 5.380 2.715 1.996 4.011 . 0 0 "[ . 1 . 2]" 1
951 1 60 VAL HB 1 61 ARG H . . 3.020 2.810 2.717 2.899 . 0 0 "[ . 1 . 2]" 1
952 1 60 VAL HB 1 63 MET QG . . 6.380 5.022 4.516 5.755 . 0 0 "[ . 1 . 2]" 1
953 1 60 VAL MG1 1 61 ARG H . . 5.500 3.248 2.983 3.564 . 0 0 "[ . 1 . 2]" 1
954 1 60 VAL MG1 1 61 ARG HA . . 5.850 3.251 3.009 3.601 . 0 0 "[ . 1 . 2]" 1
955 1 60 VAL MG1 1 64 ASP H . . 6.530 4.199 3.221 4.668 . 0 0 "[ . 1 . 2]" 1
956 1 60 VAL MG2 1 61 ARG H . . 5.350 4.093 3.942 4.190 . 0 0 "[ . 1 . 2]" 1
957 1 60 VAL MG2 1 63 MET ME . . 7.560 4.980 4.307 5.181 . 0 0 "[ . 1 . 2]" 1
958 1 61 ARG H 1 61 ARG QD . . 5.850 4.361 4.056 4.651 . 0 0 "[ . 1 . 2]" 1
959 1 61 ARG H 1 61 ARG HG2 . . 4.570 4.165 3.353 4.590 0.020 3 0 "[ . 1 . 2]" 1
960 1 61 ARG H 1 61 ARG HG3 . . 4.570 4.290 2.792 4.548 . 0 0 "[ . 1 . 2]" 1
961 1 61 ARG HA 1 61 ARG HG2 . . 4.010 2.637 2.097 4.247 0.237 13 0 "[ . 1 . 2]" 1
962 1 61 ARG HA 1 61 ARG HG3 . . 4.010 3.416 3.073 3.621 . 0 0 "[ . 1 . 2]" 1
963 1 61 ARG HA 1 64 ASP H . . 4.110 3.957 3.622 4.067 . 0 0 "[ . 1 . 2]" 1
964 1 61 ARG HA 1 64 ASP QB . . 5.010 3.545 2.867 3.762 . 0 0 "[ . 1 . 2]" 1
965 1 61 ARG QD 1 65 ARG H . . 5.730 4.876 4.497 5.113 . 0 0 "[ . 1 . 2]" 1
966 1 61 ARG HG2 1 62 SER H . . 5.500 4.700 3.599 5.032 . 0 0 "[ . 1 . 2]" 1
967 1 61 ARG HG3 1 62 SER H . . 5.500 4.624 1.922 5.238 . 0 0 "[ . 1 . 2]" 1
968 1 62 SER H 1 62 SER HB2 . . 3.210 2.221 2.155 2.299 . 0 0 "[ . 1 . 2]" 1
969 1 62 SER H 1 62 SER QB . . 2.910 2.140 2.101 2.179 . 0 0 "[ . 1 . 2]" 1
970 1 62 SER H 1 62 SER HB3 . . 3.210 2.812 2.703 2.912 . 0 0 "[ . 1 . 2]" 1
971 1 62 SER H 1 63 MET H . . 3.140 2.509 2.463 2.590 . 0 0 "[ . 1 . 2]" 1
972 1 62 SER HA 1 62 SER QB . . 2.650 2.502 2.469 2.529 . 0 0 "[ . 1 . 2]" 1
973 1 62 SER HA 1 65 ARG QB . . 4.640 2.893 1.979 3.798 . 0 0 "[ . 1 . 2]" 1
974 1 62 SER HA 1 65 ARG QD . . 6.380 3.797 1.970 5.016 . 0 0 "[ . 1 . 2]" 1
975 1 62 SER HB2 1 63 MET H . . 3.640 3.632 3.556 3.682 0.042 17 0 "[ . 1 . 2]" 1
976 1 62 SER HB3 1 63 MET H . . 3.640 2.749 2.482 3.012 . 0 0 "[ . 1 . 2]" 1
977 1 63 MET H 1 63 MET HB2 . . 3.550 2.411 2.199 3.381 . 0 0 "[ . 1 . 2]" 1
978 1 63 MET H 1 63 MET QB . . 3.340 2.246 2.050 2.508 . 0 0 "[ . 1 . 2]" 1
979 1 63 MET H 1 63 MET HB3 . . 3.550 3.301 2.067 3.543 . 0 0 "[ . 1 . 2]" 1
980 1 63 MET H 1 63 MET ME . . 5.440 4.357 4.166 4.502 . 0 0 "[ . 1 . 2]" 1
981 1 63 MET H 1 63 MET HG2 . . 4.230 2.821 1.938 4.499 0.269 17 0 "[ . 1 . 2]" 1
982 1 63 MET H 1 63 MET QG . . 3.980 2.603 1.929 3.826 . 0 0 "[ . 1 . 2]" 1
983 1 63 MET H 1 63 MET HG3 . . 4.230 3.366 2.800 4.141 . 0 0 "[ . 1 . 2]" 1
984 1 63 MET H 1 64 ASP H . . 2.990 2.924 2.593 3.033 0.043 13 0 "[ . 1 . 2]" 1
985 1 63 MET HA 1 63 MET ME . . 4.480 2.717 2.292 3.691 . 0 0 "[ . 1 . 2]" 1
986 1 63 MET HA 1 63 MET HG2 . . 3.730 2.691 2.113 3.967 0.237 20 0 "[ . 1 . 2]" 1
987 1 63 MET HA 1 63 MET QG . . 3.460 2.541 2.093 3.239 . 0 0 "[ . 1 . 2]" 1
988 1 63 MET HA 1 63 MET HG3 . . 3.730 3.530 3.393 3.739 0.009 13 0 "[ . 1 . 2]" 1
989 1 63 MET HA 1 66 LYS QB . . 4.390 2.447 1.978 3.944 . 0 0 "[ . 1 . 2]" 1
990 1 63 MET HA 1 66 LYS QG . . 5.600 3.515 1.928 4.339 . 0 0 "[ . 1 . 2]" 1
991 1 63 MET QB 1 63 MET ME . . 4.180 1.954 1.815 2.069 . 0 0 "[ . 1 . 2]" 1
992 1 63 MET QB 1 64 ASP H . . 3.340 2.669 2.300 3.159 . 0 0 "[ . 1 . 2]" 1
993 1 63 MET HB2 1 63 MET ME . . 4.390 3.157 1.842 3.497 . 0 0 "[ . 1 . 2]" 1
994 1 63 MET HB2 1 64 ASP H . . 3.580 2.949 2.507 3.996 0.416 18 0 "[ . 1 . 2]" 1
995 1 63 MET HB3 1 63 MET ME . . 4.390 2.152 1.912 3.415 . 0 0 "[ . 1 . 2]" 1
996 1 63 MET HB3 1 64 ASP H . . 3.580 3.348 2.321 3.637 0.057 19 0 "[ . 1 . 2]" 1
997 1 63 MET ME 1 64 ASP H . . 5.910 4.679 4.421 4.890 . 0 0 "[ . 1 . 2]" 1
998 1 63 MET ME 1 66 LYS QE . . 7.250 4.812 3.551 5.325 . 0 0 "[ . 1 . 2]" 1
999 1 63 MET ME 1 66 LYS QG . . 6.630 3.736 2.600 4.669 . 0 0 "[ . 1 . 2]" 1
1000 1 63 MET QG 1 67 SER QB . . 7.250 5.162 3.683 5.802 . 0 0 "[ . 1 . 2]" 1
1001 1 64 ASP H 1 64 ASP HB2 . . 3.020 2.126 2.049 2.192 . 0 0 "[ . 1 . 2]" 1
1002 1 64 ASP H 1 64 ASP HB3 . . 3.020 2.860 2.764 2.997 . 0 0 "[ . 1 . 2]" 1
1003 1 64 ASP H 1 65 ARG H . . 3.080 2.698 2.493 2.799 . 0 0 "[ . 1 . 2]" 1
1004 1 64 ASP HA 1 64 ASP HB2 . . 3.050 2.679 2.611 2.745 . 0 0 "[ . 1 . 2]" 1
1005 1 64 ASP HA 1 64 ASP HB3 . . 3.050 3.023 2.995 3.045 . 0 0 "[ . 1 . 2]" 1
1006 1 64 ASP HA 1 67 SER QB . . 4.730 3.585 3.009 3.931 . 0 0 "[ . 1 . 2]" 1
1007 1 64 ASP QB 1 65 ARG H . . 3.410 2.513 2.373 2.785 . 0 0 "[ . 1 . 2]" 1
1008 1 64 ASP HB2 1 65 ARG H . . 3.580 3.510 3.325 3.591 0.011 17 0 "[ . 1 . 2]" 1
1009 1 64 ASP HB3 1 65 ARG H . . 3.580 2.579 2.414 2.902 . 0 0 "[ . 1 . 2]" 1
1010 1 65 ARG H 1 65 ARG HA . . 2.870 2.797 2.783 2.805 . 0 0 "[ . 1 . 2]" 1
1011 1 65 ARG H 1 65 ARG HG2 . . 4.350 3.399 2.123 4.196 . 0 0 "[ . 1 . 2]" 1
1012 1 65 ARG H 1 65 ARG QG . . 4.080 3.150 2.091 3.810 . 0 0 "[ . 1 . 2]" 1
1013 1 65 ARG H 1 65 ARG HG3 . . 4.350 3.884 2.633 4.378 0.028 17 0 "[ . 1 . 2]" 1
1014 1 65 ARG HA 1 65 ARG QD . . 4.920 3.846 2.882 4.354 . 0 0 "[ . 1 . 2]" 1
1015 1 65 ARG HA 1 65 ARG HG2 . . 3.700 3.448 2.313 3.815 0.115 18 0 "[ . 1 . 2]" 1
1016 1 65 ARG HA 1 65 ARG HG3 . . 3.700 3.171 2.699 3.686 . 0 0 "[ . 1 . 2]" 1
1017 1 65 ARG QG 1 66 LYS H . . 4.580 3.117 2.126 4.156 . 0 0 "[ . 1 . 2]" 1
1018 1 65 ARG HG2 1 66 LYS H . . 4.720 3.350 2.152 4.674 . 0 0 "[ . 1 . 2]" 1
1019 1 65 ARG HG3 1 66 LYS H . . 4.720 3.856 2.498 4.719 . 0 0 "[ . 1 . 2]" 1
1020 1 66 LYS H 1 66 LYS QB . . 3.870 2.158 1.995 2.431 . 0 0 "[ . 1 . 2]" 1
1021 1 66 LYS H 1 66 LYS HG2 . . 4.420 3.943 2.401 4.507 0.087 5 0 "[ . 1 . 2]" 1
1022 1 66 LYS H 1 66 LYS HG3 . . 4.420 4.013 2.800 4.435 0.015 15 0 "[ . 1 . 2]" 1
1023 1 66 LYS H 1 67 SER H . . 3.210 2.522 2.254 2.672 . 0 0 "[ . 1 . 2]" 1
1024 1 66 LYS HA 1 66 LYS QE . . 5.450 3.644 2.026 4.826 . 0 0 "[ . 1 . 2]" 1
1025 1 66 LYS HA 1 66 LYS HG2 . . 3.980 3.438 1.991 4.011 0.031 9 0 "[ . 1 . 2]" 1
1026 1 66 LYS HA 1 66 LYS QG . . 3.770 2.598 1.977 3.321 . 0 0 "[ . 1 . 2]" 1
1027 1 66 LYS HA 1 66 LYS HG3 . . 3.980 2.925 2.008 3.562 . 0 0 "[ . 1 . 2]" 1
1028 1 66 LYS QB 1 67 SER H . . 4.580 3.017 2.826 3.715 . 0 0 "[ . 1 . 2]" 1
1029 1 67 SER H 1 67 SER HB2 . . 3.110 2.965 2.461 3.361 0.251 18 0 "[ . 1 . 2]" 1
1030 1 67 SER H 1 67 SER HB3 . . 3.110 2.705 2.368 3.305 0.195 18 0 "[ . 1 . 2]" 1
1031 1 67 SER H 1 68 ASN H . . 2.900 2.876 2.730 2.950 0.050 18 0 "[ . 1 . 2]" 1
1032 1 67 SER HA 1 67 SER QB . . 2.730 2.392 2.172 2.551 . 0 0 "[ . 1 . 2]" 1
1033 1 67 SER HA 1 68 ASN H . . 2.870 2.817 2.710 2.955 0.085 18 0 "[ . 1 . 2]" 1
1034 1 67 SER HA 1 70 ARG H . . 3.980 3.627 3.183 4.006 0.026 14 0 "[ . 1 . 2]" 1
1035 1 67 SER HA 1 70 ARG QB . . 4.420 2.968 2.110 3.981 . 0 0 "[ . 1 . 2]" 1
1036 1 67 SER HA 1 70 ARG QD . . 6.380 4.437 2.895 5.686 . 0 0 "[ . 1 . 2]" 1
1037 1 68 ASN H 1 68 ASN HA . . 2.770 2.811 2.632 2.914 0.144 13 0 "[ . 1 . 2]" 1
1038 1 68 ASN H 1 68 ASN QB . . 2.960 2.063 2.003 2.289 . 0 0 "[ . 1 . 2]" 1
1039 1 68 ASN HA 1 68 ASN HB2 . . 2.870 2.882 2.749 2.901 0.031 16 0 "[ . 1 . 2]" 1
1040 1 68 ASN HA 1 68 ASN HB3 . . 2.870 2.910 2.893 3.006 0.136 6 0 "[ . 1 . 2]" 1
1041 1 68 ASN QB 1 69 THR H . . 3.360 2.309 2.072 2.540 . 0 0 "[ . 1 . 2]" 1
1042 1 68 ASN HB2 1 69 THR H . . 3.610 2.858 2.680 3.134 . 0 0 "[ . 1 . 2]" 1
1043 1 68 ASN HB3 1 69 THR H . . 3.610 2.449 2.112 2.750 . 0 0 "[ . 1 . 2]" 1
1044 1 69 THR H 1 69 THR HB . . 2.870 2.565 2.137 2.845 . 0 0 "[ . 1 . 2]" 1
1045 1 69 THR H 1 70 ARG H . . 3.610 2.838 2.279 3.321 . 0 0 "[ . 1 . 2]" 1
1046 1 69 THR HA 1 69 THR HB . . 2.960 2.795 2.422 3.065 0.105 1 0 "[ . 1 . 2]" 1
1047 1 69 THR MG 1 70 ARG H . . 5.850 3.344 1.934 4.359 . 0 0 "[ . 1 . 2]" 1
1048 1 70 ARG H 1 70 ARG HA . . 2.680 2.708 2.608 2.911 0.231 10 0 "[ . 1 . 2]" 1
1049 1 70 ARG H 1 70 ARG HB2 . . 3.520 2.575 2.033 3.569 0.049 12 0 "[ . 1 . 2]" 1
1050 1 70 ARG H 1 70 ARG QB . . 3.330 2.318 2.010 2.891 . 0 0 "[ . 1 . 2]" 1
1051 1 70 ARG H 1 70 ARG HB3 . . 3.520 3.029 2.333 3.545 0.025 3 0 "[ . 1 . 2]" 1
1052 1 70 ARG H 1 71 ASN H . . 3.140 2.752 1.895 3.190 0.050 3 0 "[ . 1 . 2]" 1
1053 1 70 ARG HA 1 73 MET H . . 4.350 3.956 3.180 4.512 0.162 10 0 "[ . 1 . 2]" 1
1054 1 70 ARG HA 1 73 MET ME . . 6.340 4.564 2.262 5.351 . 0 0 "[ . 1 . 2]" 1
1055 1 70 ARG QB 1 71 ASN H . . 3.710 2.655 1.879 3.452 . 0 0 "[ . 1 . 2]" 1
1056 1 70 ARG HB2 1 71 ASN H . . 3.890 3.384 1.914 3.907 0.017 2 0 "[ . 1 . 2]" 1
1057 1 70 ARG HB3 1 71 ASN H . . 3.890 2.940 2.104 3.938 0.048 18 0 "[ . 1 . 2]" 1
1058 1 70 ARG QG 1 71 ASN H . . 6.380 3.784 1.848 4.692 . 0 0 "[ . 1 . 2]" 1
1059 1 71 ASN H 1 71 ASN HA . . 2.680 2.537 2.169 2.788 0.108 7 0 "[ . 1 . 2]" 1
1060 1 71 ASN QB 1 72 ASN H . . 4.390 2.622 1.896 3.966 . 0 0 "[ . 1 . 2]" 1
1061 1 71 ASN QB 1 73 MET H . . 5.260 4.348 3.403 4.770 . 0 0 "[ . 1 . 2]" 1
1062 1 71 ASN QB 1 73 MET QB . . 7.250 5.481 4.768 5.921 . 0 0 "[ . 1 . 2]" 1
1063 1 72 ASN H 1 72 ASN HA . . 2.710 2.556 2.172 2.910 0.200 13 0 "[ . 1 . 2]" 1
1064 1 72 ASN QB 1 74 ILE QG . . 7.250 4.900 2.361 5.840 . 0 0 "[ . 1 . 2]" 1
1065 1 72 ASN QB 1 74 ILE MG . . 7.400 4.691 2.713 5.534 . 0 0 "[ . 1 . 2]" 1
1066 1 73 MET H 1 73 MET QB . . 3.610 2.712 2.008 3.117 . 0 0 "[ . 1 . 2]" 1
1067 1 73 MET H 1 73 MET ME . . 6.530 4.148 1.835 5.333 . 0 0 "[ . 1 . 2]" 1
1068 1 73 MET H 1 73 MET HG2 . . 4.850 3.845 2.442 5.240 0.390 17 0 "[ . 1 . 2]" 1
1069 1 73 MET H 1 73 MET QG . . 4.690 3.522 2.415 4.300 . 0 0 "[ . 1 . 2]" 1
1070 1 73 MET H 1 73 MET HG3 . . 4.850 4.348 3.516 4.874 0.024 4 0 "[ . 1 . 2]" 1
1071 1 73 MET HA 1 73 MET QB . . 2.750 2.431 2.206 2.587 . 0 0 "[ . 1 . 2]" 1
1072 1 73 MET HA 1 73 MET ME . . 5.940 3.043 1.903 4.474 . 0 0 "[ . 1 . 2]" 1
1073 1 73 MET HA 1 73 MET HG2 . . 4.290 3.027 2.027 3.880 . 0 0 "[ . 1 . 2]" 1
1074 1 73 MET HA 1 73 MET HG3 . . 4.290 3.412 2.641 4.154 . 0 0 "[ . 1 . 2]" 1
1075 1 73 MET QB 1 73 MET ME . . 4.310 2.834 1.806 3.324 . 0 0 "[ . 1 . 2]" 1
1076 1 73 MET QB 1 74 ILE H . . 4.520 2.872 1.871 4.120 . 0 0 "[ . 1 . 2]" 1
1077 1 73 MET QB 1 74 ILE MD . . 7.400 4.427 2.041 5.490 . 0 0 "[ . 1 . 2]" 1
1078 1 73 MET HB2 1 74 ILE MG . . 6.530 4.465 3.138 5.536 . 0 0 "[ . 1 . 2]" 1
1079 1 73 MET HB3 1 74 ILE MG . . 6.530 3.931 2.182 5.197 . 0 0 "[ . 1 . 2]" 1
1080 1 73 MET ME 1 74 ILE H . . 6.530 3.726 1.845 4.746 . 0 0 "[ . 1 . 2]" 1
1081 1 73 MET ME 1 74 ILE HB . . 6.530 5.080 4.449 5.503 . 0 0 "[ . 1 . 2]" 1
1082 1 73 MET QG 1 74 ILE MD . . 7.400 4.549 2.617 5.519 . 0 0 "[ . 1 . 2]" 1
1083 1 73 MET QG 1 74 ILE MG . . 7.400 3.613 1.714 5.262 . 0 0 "[ . 1 . 2]" 1
1084 1 74 ILE H 1 74 ILE HG12 . . 4.170 3.367 2.607 4.153 . 0 0 "[ . 1 . 2]" 1
1085 1 74 ILE H 1 74 ILE HG13 . . 4.170 2.963 2.009 4.280 0.110 10 0 "[ . 1 . 2]" 1
1086 1 74 ILE HA 1 74 ILE MD . . 4.760 3.695 3.395 4.118 . 0 0 "[ . 1 . 2]" 1
1087 1 74 ILE HA 1 75 GLN QB . . 5.140 4.210 3.892 4.745 . 0 0 "[ . 1 . 2]" 1
1088 1 74 ILE HA 1 75 GLN QG . . 6.380 4.151 3.668 5.685 . 0 0 "[ . 1 . 2]" 1
1089 1 74 ILE HB 1 75 GLN H . . 3.830 2.717 1.951 3.952 0.122 8 0 "[ . 1 . 2]" 1
1090 1 74 ILE HB 1 75 GLN QG . . 6.380 4.930 3.896 5.370 . 0 0 "[ . 1 . 2]" 1
1091 1 74 ILE HB 1 76 THR H . . 4.850 3.973 3.378 4.871 0.021 16 0 "[ . 1 . 2]" 1
1092 1 74 ILE MD 1 75 GLN H . . 6.530 3.792 2.540 4.840 . 0 0 "[ . 1 . 2]" 1
1093 1 74 ILE QG 1 75 GLN QG . . 7.250 4.833 3.502 5.751 . 0 0 "[ . 1 . 2]" 1
1094 1 74 ILE HG12 1 75 GLN H . . 5.500 4.379 2.152 5.503 0.003 5 0 "[ . 1 . 2]" 1
1095 1 74 ILE HG13 1 75 GLN H . . 5.500 4.286 2.307 5.086 . 0 0 "[ . 1 . 2]" 1
1096 1 74 ILE MG 1 75 GLN H . . 5.260 3.728 3.273 4.295 . 0 0 "[ . 1 . 2]" 1
1097 1 74 ILE MG 1 75 GLN HA . . 6.530 5.408 4.775 5.620 . 0 0 "[ . 1 . 2]" 1
1098 1 74 ILE MG 1 75 GLN QG . . 7.400 5.232 4.312 5.569 . 0 0 "[ . 1 . 2]" 1
1099 1 74 ILE MG 1 76 THR H . . 6.530 5.103 3.739 5.490 . 0 0 "[ . 1 . 2]" 1
1100 1 75 GLN H 1 75 GLN QB . . 3.200 2.683 2.369 2.865 . 0 0 "[ . 1 . 2]" 1
1101 1 75 GLN HA 1 76 THR H . . 2.560 2.498 2.302 2.757 0.197 8 0 "[ . 1 . 2]" 1
1102 1 75 GLN QG 1 76 THR H . . 6.380 4.279 3.868 4.511 . 0 0 "[ . 1 . 2]" 1
1103 1 76 THR MG 1 77 LYS H . . 5.440 3.439 1.911 4.299 . 0 0 "[ . 1 . 2]" 1
1104 1 77 LYS H 1 77 LYS HB2 . . 3.450 2.984 2.151 3.509 0.059 16 0 "[ . 1 . 2]" 1
1105 1 77 LYS H 1 77 LYS QB . . 3.140 2.501 2.129 2.879 . 0 0 "[ . 1 . 2]" 1
1106 1 77 LYS H 1 77 LYS HB3 . . 3.450 2.978 2.200 3.538 0.088 17 0 "[ . 1 . 2]" 1
1107 1 77 LYS H 1 78 PRO HD2 . . 5.500 4.694 3.352 5.004 . 0 0 "[ . 1 . 2]" 1
1108 1 77 LYS H 1 78 PRO HD3 . . 5.500 4.073 2.337 4.808 . 0 0 "[ . 1 . 2]" 1
1109 1 77 LYS HA 1 78 PRO HD2 . . 3.210 2.477 2.180 2.833 . 0 0 "[ . 1 . 2]" 1
1110 1 77 LYS HA 1 78 PRO HD3 . . 3.210 2.112 1.911 2.614 . 0 0 "[ . 1 . 2]" 1
1111 1 77 LYS QB 1 78 PRO QD . . 4.910 3.039 1.988 3.838 . 0 0 "[ . 1 . 2]" 1
1112 1 77 LYS HB2 1 78 PRO HD2 . . 5.500 3.910 2.042 4.978 . 0 0 "[ . 1 . 2]" 1
1113 1 77 LYS HB2 1 78 PRO HD3 . . 5.500 4.206 2.896 4.846 . 0 0 "[ . 1 . 2]" 1
1114 1 77 LYS HB3 1 78 PRO HD2 . . 5.500 3.949 2.026 5.113 . 0 0 "[ . 1 . 2]" 1
1115 1 77 LYS HB3 1 78 PRO HD3 . . 5.500 4.343 3.068 4.868 . 0 0 "[ . 1 . 2]" 1
1116 1 77 LYS QG 1 78 PRO HD2 . . 6.380 2.898 1.894 3.935 . 0 0 "[ . 1 . 2]" 1
1117 1 77 LYS QG 1 78 PRO HD3 . . 6.380 3.661 2.542 4.515 . 0 0 "[ . 1 . 2]" 1
1118 1 78 PRO HA 1 79 THR H . . 2.460 2.296 2.191 2.466 0.006 12 0 "[ . 1 . 2]" 1
1119 1 78 PRO HB2 1 79 THR H . . 3.830 3.115 2.636 3.466 . 0 0 "[ . 1 . 2]" 1
1120 1 78 PRO HB3 1 79 THR H . . 3.830 3.627 3.362 3.841 0.011 17 0 "[ . 1 . 2]" 1
1121 1 78 PRO QD 1 79 THR H . . 5.590 5.016 4.960 5.037 . 0 0 "[ . 1 . 2]" 1
1122 1 79 THR H 1 79 THR HB . . 3.420 2.886 2.397 3.488 0.068 2 0 "[ . 1 . 2]" 1
1123 1 79 THR HA 1 80 GLY H . . 2.770 2.583 2.402 2.867 0.097 8 0 "[ . 1 . 2]" 1
1124 1 79 THR HB 1 80 GLY H . . 3.480 3.342 2.333 3.597 0.117 8 0 "[ . 1 . 2]" 1
1125 1 79 THR MG 1 80 GLY H . . 6.190 2.332 1.798 3.917 . 0 0 "[ . 1 . 2]" 1
1126 1 79 THR MG 1 80 GLY QA . . 7.400 3.702 3.086 5.085 . 0 0 "[ . 1 . 2]" 1
1127 1 80 GLY H 1 81 THR H . . 3.550 3.303 2.672 3.556 0.006 4 0 "[ . 1 . 2]" 1
1128 1 81 THR H 1 81 THR HB . . 3.390 3.035 2.502 3.491 0.101 18 0 "[ . 1 . 2]" 1
1129 1 81 THR HB 1 82 GLN H . . 3.360 3.283 2.573 3.519 0.159 7 0 "[ . 1 . 2]" 1
1130 1 81 THR MG 1 82 GLN H . . 5.570 2.272 1.823 3.893 . 0 0 "[ . 1 . 2]" 1
1131 1 82 GLN H 1 82 GLN HB2 . . 3.480 2.857 2.180 3.528 0.048 9 0 "[ . 1 . 2]" 1
1132 1 82 GLN H 1 82 GLN QB . . 3.170 2.654 2.146 2.928 . 0 0 "[ . 1 . 2]" 1
1133 1 82 GLN H 1 82 GLN HB3 . . 3.480 3.296 2.341 3.493 0.013 15 0 "[ . 1 . 2]" 1
1134 1 82 GLN H 1 82 GLN QG . . 5.040 4.032 2.522 4.441 . 0 0 "[ . 1 . 2]" 1
1135 1 82 GLN HA 1 82 GLN HB2 . . 2.960 2.798 2.415 2.926 . 0 0 "[ . 1 . 2]" 1
1136 1 82 GLN HA 1 82 GLN HB3 . . 2.960 2.911 2.525 2.985 0.025 7 0 "[ . 1 . 2]" 1
1137 1 82 GLN QB 1 83 GLN H . . 4.150 2.922 2.282 3.687 . 0 0 "[ . 1 . 2]" 1
1138 1 83 GLN H 1 83 GLN HB2 . . 3.270 2.925 2.269 3.444 0.174 6 0 "[ . 1 . 2]" 1
1139 1 83 GLN H 1 83 GLN HB3 . . 3.270 3.049 2.636 3.360 0.090 6 0 "[ . 1 . 2]" 1
1140 1 83 GLN H 1 83 GLN QG . . 5.040 4.041 1.796 4.291 . 0 0 "[ . 1 . 2]" 1
1141 1 83 GLN HA 1 84 SER H . . 2.490 2.428 2.316 2.490 . 0 0 "[ . 1 . 2]" 1
1142 1 83 GLN QB 1 84 SER H . . 3.960 3.226 2.856 3.607 . 0 0 "[ . 1 . 2]" 1
1143 1 83 GLN HB2 1 84 SER H . . 4.170 4.061 2.999 4.174 0.004 17 0 "[ . 1 . 2]" 1
1144 1 83 GLN HB3 1 84 SER H . . 4.170 3.420 3.084 3.973 . 0 0 "[ . 1 . 2]" 1
1145 1 83 GLN QG 1 84 SER H . . 6.380 2.202 1.964 4.433 . 0 0 "[ . 1 . 2]" 1
1146 1 84 SER HA 1 85 THR H . . 2.740 2.478 2.265 2.622 . 0 0 "[ . 1 . 2]" 1
1147 1 85 THR H 1 85 THR HB . . 3.550 2.955 2.275 3.554 0.004 4 0 "[ . 1 . 2]" 1
1148 1 85 THR HA 1 86 ASN H . . 2.870 2.541 2.150 2.850 . 0 0 "[ . 1 . 2]" 1
1149 1 85 THR HB 1 86 ASN H . . 3.640 3.504 2.243 3.668 0.028 10 0 "[ . 1 . 2]" 1
1150 1 85 THR MG 1 86 ASN H . . 6.160 2.425 1.798 4.275 . 0 0 "[ . 1 . 2]" 1
1151 1 86 ASN H 1 86 ASN HB2 . . 3.550 2.994 2.357 3.565 0.015 7 0 "[ . 1 . 2]" 1
1152 1 86 ASN H 1 86 ASN QB . . 3.310 2.683 2.266 3.020 . 0 0 "[ . 1 . 2]" 1
1153 1 86 ASN H 1 86 ASN HB3 . . 3.550 3.280 2.571 3.561 0.011 15 0 "[ . 1 . 2]" 1
1154 1 86 ASN HA 1 86 ASN HB2 . . 3.020 2.798 2.537 3.013 . 0 0 "[ . 1 . 2]" 1
1155 1 86 ASN HA 1 86 ASN HB3 . . 3.020 2.780 2.396 3.016 . 0 0 "[ . 1 . 2]" 1
1156 1 86 ASN HA 1 87 THR H . . 2.830 2.530 2.420 2.789 . 0 0 "[ . 1 . 2]" 1
1157 1 86 ASN QB 1 87 THR H . . 4.070 2.701 1.945 3.217 . 0 0 "[ . 1 . 2]" 1
1158 1 86 ASN HB2 1 87 THR H . . 4.230 3.639 2.324 4.232 0.002 14 0 "[ . 1 . 2]" 1
1159 1 86 ASN HB2 1 87 THR MG . . 6.530 4.928 4.124 5.293 . 0 0 "[ . 1 . 2]" 1
1160 1 86 ASN HB3 1 87 THR H . . 4.230 3.069 1.955 3.817 . 0 0 "[ . 1 . 2]" 1
1161 1 86 ASN HB3 1 87 THR MG . . 6.530 4.637 4.206 5.285 . 0 0 "[ . 1 . 2]" 1
1162 1 87 THR H 1 87 THR MG . . 4.670 2.798 2.098 3.228 . 0 0 "[ . 1 . 2]" 1
1163 1 87 THR HA 1 88 ALA H . . 3.020 2.563 2.393 2.680 . 0 0 "[ . 1 . 2]" 1
1164 1 87 THR HB 1 88 ALA H . . 2.740 2.364 2.147 2.679 . 0 0 "[ . 1 . 2]" 1
1165 1 87 THR MG 1 88 ALA H . . 4.670 3.820 3.647 3.927 . 0 0 "[ . 1 . 2]" 1
1166 1 88 ALA H 1 89 VAL HB . . 3.580 3.553 3.408 3.649 0.069 9 0 "[ . 1 . 2]" 1
1167 1 88 ALA HA 1 89 VAL H . . 2.740 2.268 2.187 2.503 . 0 0 "[ . 1 . 2]" 1
1168 1 88 ALA HA 1 89 VAL HB . . 4.880 4.668 4.470 4.881 0.001 14 0 "[ . 1 . 2]" 1
1169 1 88 ALA HA 1 89 VAL QG . . 7.620 3.894 3.776 4.180 . 0 0 "[ . 1 . 2]" 1
1170 1 88 ALA MB 1 89 VAL HA . . 6.530 4.134 4.023 4.220 . 0 0 "[ . 1 . 2]" 1
1171 1 88 ALA MB 1 90 THR H . . 6.530 5.247 5.030 5.378 . 0 0 "[ . 1 . 2]" 1
1172 1 89 VAL H 1 89 VAL HB . . 3.330 3.229 2.986 3.341 0.011 9 0 "[ . 1 . 2]" 1
1173 1 89 VAL QG 1 90 THR H . . 7.620 2.765 2.489 3.088 . 0 0 "[ . 1 . 2]" 1
1174 1 90 THR H 1 90 THR HB . . 2.770 2.568 2.304 2.765 . 0 0 "[ . 1 . 2]" 1
1175 1 90 THR HA 1 91 LEU H . . 2.900 2.338 2.289 2.505 . 0 0 "[ . 1 . 2]" 1
1176 1 90 THR HB 1 91 LEU H . . 4.010 3.985 3.921 4.025 0.015 7 0 "[ . 1 . 2]" 1
1177 1 90 THR MG 1 91 LEU H . . 6.310 2.234 1.909 3.577 . 0 0 "[ . 1 . 2]" 1
1178 1 90 THR MG 1 91 LEU HA . . 6.530 3.985 3.678 4.667 . 0 0 "[ . 1 . 2]" 1
1179 1 91 LEU H 1 91 LEU HB2 . . 3.390 3.369 3.285 3.449 0.059 1 0 "[ . 1 . 2]" 1
1180 1 91 LEU H 1 91 LEU QB . . 3.210 2.195 2.074 2.293 . 0 0 "[ . 1 . 2]" 1
1181 1 91 LEU H 1 91 LEU HB3 . . 3.390 2.226 2.092 2.333 . 0 0 "[ . 1 . 2]" 1
1182 1 91 LEU H 1 91 LEU HG . . 3.830 3.739 3.362 3.857 0.027 9 0 "[ . 1 . 2]" 1
1183 1 91 LEU HA 1 91 LEU HG . . 3.550 3.492 3.373 3.562 0.012 1 0 "[ . 1 . 2]" 1
1184 1 91 LEU HA 1 92 THR H . . 2.870 2.298 2.176 2.656 . 0 0 "[ . 1 . 2]" 1
1185 1 91 LEU QB 1 92 THR H . . 4.220 3.336 2.542 3.820 . 0 0 "[ . 1 . 2]" 1
1186 1 91 LEU HB2 1 92 THR H . . 4.570 3.503 2.578 4.082 . 0 0 "[ . 1 . 2]" 1
1187 1 91 LEU HB3 1 92 THR H . . 4.570 4.320 3.868 4.599 0.029 6 0 "[ . 1 . 2]" 1
1188 1 91 LEU QD 1 92 THR HA . . 7.450 3.979 3.134 4.635 . 0 0 "[ . 1 . 2]" 1
1189 1 91 LEU QD 1 93 GLY QA . . 8.970 4.134 2.696 5.718 . 0 0 "[ . 1 . 2]" 1
1190 1 91 LEU HG 1 92 THR HA . . 5.190 4.200 3.515 4.926 . 0 0 "[ . 1 . 2]" 1
1191 1 91 LEU HG 1 93 GLY H . . 5.500 5.143 3.571 5.574 0.074 4 0 "[ . 1 . 2]" 1
1192 1 92 THR H 1 92 THR HB . . 3.730 3.188 2.508 3.834 0.104 6 0 "[ . 1 . 2]" 1
1193 1 92 THR HA 1 92 THR HB . . 2.400 2.454 2.394 2.551 0.151 4 0 "[ . 1 . 2]" 1
1194 1 92 THR HA 1 93 GLY H . . 3.210 2.483 2.192 3.288 0.078 11 0 "[ . 1 . 2]" 1
1195 1 92 THR HB 1 93 GLY H . . 4.350 3.319 1.943 4.452 0.102 11 0 "[ . 1 . 2]" 1
1196 1 92 THR MG 1 93 GLY QA . . 7.400 4.313 3.204 5.159 . 0 0 "[ . 1 . 2]" 1
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