NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
545356 |
2lqk   |
18193 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lqk
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 966
_Distance_constraint_stats_list.Viol_count 1077
_Distance_constraint_stats_list.Viol_total 996.201
_Distance_constraint_stats_list.Viol_max 0.414
_Distance_constraint_stats_list.Viol_rms 0.0141
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0462
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LYS 0.294 0.116 14 0 "[ . 1 . 2]"
1 6 GLU 0.175 0.034 19 0 "[ . 1 . 2]"
1 7 PHE 5.712 0.183 18 0 "[ . 1 . 2]"
1 8 ARG 1.144 0.099 13 0 "[ . 1 . 2]"
1 9 PRO 0.997 0.099 13 0 "[ . 1 . 2]"
1 10 GLY 1.397 0.102 8 0 "[ . 1 . 2]"
1 11 ASP 1.709 0.087 2 0 "[ . 1 . 2]"
1 12 LYS 0.955 0.115 9 0 "[ . 1 . 2]"
1 13 VAL 1.759 0.097 20 0 "[ . 1 . 2]"
1 14 VAL 2.945 0.210 14 0 "[ . 1 . 2]"
1 15 LEU 6.662 0.176 6 0 "[ . 1 . 2]"
1 16 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 PRO 0.230 0.040 20 0 "[ . 1 . 2]"
1 18 TYR 5.553 0.176 6 0 "[ . 1 . 2]"
1 19 GLY 0.358 0.043 12 0 "[ . 1 . 2]"
1 20 VAL 3.889 0.210 14 0 "[ . 1 . 2]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 VAL 3.641 0.160 20 0 "[ . 1 . 2]"
1 23 VAL 2.217 0.089 13 0 "[ . 1 . 2]"
1 24 ALA 0.143 0.069 20 0 "[ . 1 . 2]"
1 25 GLY 0.405 0.128 12 0 "[ . 1 . 2]"
1 26 ILE 2.226 0.119 13 0 "[ . 1 . 2]"
1 27 ALA 1.258 0.066 13 0 "[ . 1 . 2]"
1 28 GLN 1.700 0.102 11 0 "[ . 1 . 2]"
1 29 ARG 0.148 0.063 2 0 "[ . 1 . 2]"
1 30 SER 0.408 0.157 15 0 "[ . 1 . 2]"
1 31 VAL 0.665 0.157 15 0 "[ . 1 . 2]"
1 32 SER 0.566 0.414 19 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.826 0.414 19 0 "[ . 1 . 2]"
1 35 SER 0.096 0.041 15 0 "[ . 1 . 2]"
1 36 ARG 2.447 0.127 16 0 "[ . 1 . 2]"
1 37 ALA 1.700 0.102 11 0 "[ . 1 . 2]"
1 38 TYR 3.106 0.127 16 0 "[ . 1 . 2]"
1 39 TYR 4.787 0.119 13 0 "[ . 1 . 2]"
1 40 GLN 1.820 0.229 2 0 "[ . 1 . 2]"
1 41 VAL 3.543 0.135 3 0 "[ . 1 . 2]"
1 42 ASP 1.295 0.160 20 0 "[ . 1 . 2]"
1 43 PHE 3.839 0.095 18 0 "[ . 1 . 2]"
1 44 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ARG 0.213 0.046 9 0 "[ . 1 . 2]"
1 48 SER 0.005 0.004 13 0 "[ . 1 . 2]"
1 49 LYS 0.029 0.011 20 0 "[ . 1 . 2]"
1 50 ALA 2.660 0.121 20 0 "[ . 1 . 2]"
1 51 TYR 4.490 0.229 2 0 "[ . 1 . 2]"
1 52 VAL 1.619 0.074 10 0 "[ . 1 . 2]"
1 53 PRO 1.243 0.128 6 0 "[ . 1 . 2]"
1 54 VAL 2.211 0.084 4 0 "[ . 1 . 2]"
1 55 GLU 0.652 0.084 13 0 "[ . 1 . 2]"
1 56 ALA 0.752 0.084 13 0 "[ . 1 . 2]"
1 57 PRO 0.049 0.018 20 0 "[ . 1 . 2]"
1 58 HIS 0.139 0.052 4 0 "[ . 1 . 2]"
1 59 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 VAL 2.458 0.164 4 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LEU 3.628 0.164 4 0 "[ . 1 . 2]"
1 63 ARG 1.121 0.145 12 0 "[ . 1 . 2]"
1 64 LYS 2.218 0.183 18 0 "[ . 1 . 2]"
1 65 ALA 0.230 0.069 5 0 "[ . 1 . 2]"
1 66 LEU 0.370 0.105 10 0 "[ . 1 . 2]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLU 0.019 0.019 19 0 "[ . 1 . 2]"
1 70 GLU 0.037 0.019 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 HIS QB 1 3 HIS HD2 . . 3.260 2.698 2.488 3.068 . 0 0 "[ . 1 . 2]" 1
2 1 4 MET H 1 4 MET QB . . 3.390 2.489 2.106 2.898 . 0 0 "[ . 1 . 2]" 1
3 1 4 MET HA 1 4 MET QG . . 3.030 2.254 2.084 2.660 . 0 0 "[ . 1 . 2]" 1
4 1 5 LYS HA 1 5 LYS QD . . 3.600 3.099 2.094 3.716 0.116 14 0 "[ . 1 . 2]" 1
5 1 5 LYS HA 1 5 LYS QG . . 3.500 2.462 2.101 3.454 . 0 0 "[ . 1 . 2]" 1
6 1 5 LYS HA 1 6 GLU H . . 3.350 2.258 2.028 3.068 . 0 0 "[ . 1 . 2]" 1
7 1 6 GLU H 1 6 GLU QB . . 3.730 2.559 2.178 3.163 . 0 0 "[ . 1 . 2]" 1
8 1 6 GLU QB 1 7 PHE H . . 3.730 2.239 2.069 2.301 . 0 0 "[ . 1 . 2]" 1
9 1 6 GLU QB 1 7 PHE QD . . 4.940 4.336 3.389 4.974 0.034 19 0 "[ . 1 . 2]" 1
10 1 6 GLU QB 1 39 TYR QE . . 4.690 3.526 3.345 3.817 . 0 0 "[ . 1 . 2]" 1
11 1 7 PHE H 1 7 PHE HB2 . . 3.720 2.266 2.201 2.318 . 0 0 "[ . 1 . 2]" 1
12 1 7 PHE H 1 7 PHE HB3 . . 3.990 3.539 3.479 3.578 . 0 0 "[ . 1 . 2]" 1
13 1 7 PHE H 1 7 PHE QD . . 3.510 3.360 3.234 3.481 . 0 0 "[ . 1 . 2]" 1
14 1 7 PHE H 1 7 PHE QE . . 5.260 5.152 4.974 5.285 0.025 10 0 "[ . 1 . 2]" 1
15 1 7 PHE H 1 8 ARG H . . 4.910 4.476 4.380 4.568 . 0 0 "[ . 1 . 2]" 1
16 1 7 PHE H 1 39 TYR QE . . 3.940 3.457 3.348 3.532 . 0 0 "[ . 1 . 2]" 1
17 1 7 PHE HA 1 7 PHE QD . . 3.480 2.268 2.206 2.467 . 0 0 "[ . 1 . 2]" 1
18 1 7 PHE HA 1 7 PHE QE . . 4.600 4.255 4.224 4.319 . 0 0 "[ . 1 . 2]" 1
19 1 7 PHE HA 1 8 ARG H . . 3.130 2.078 2.050 2.115 . 0 0 "[ . 1 . 2]" 1
20 1 7 PHE HA 1 39 TYR QE . . 5.500 5.427 5.376 5.494 . 0 0 "[ . 1 . 2]" 1
21 1 7 PHE HB2 1 8 ARG H . . 4.860 4.431 4.307 4.499 . 0 0 "[ . 1 . 2]" 1
22 1 7 PHE HB2 1 23 VAL MG1 . . 4.930 3.589 3.455 3.728 . 0 0 "[ . 1 . 2]" 1
23 1 7 PHE HB2 1 23 VAL MG2 . . 4.110 3.396 3.221 3.548 . 0 0 "[ . 1 . 2]" 1
24 1 7 PHE HB2 1 39 TYR QE . . 3.130 3.172 3.132 3.204 0.074 2 0 "[ . 1 . 2]" 1
25 1 7 PHE HB3 1 8 ARG H . . 3.870 3.471 3.207 3.645 . 0 0 "[ . 1 . 2]" 1
26 1 7 PHE HB3 1 13 VAL QG . . 4.050 3.709 3.541 3.941 . 0 0 "[ . 1 . 2]" 1
27 1 7 PHE HB3 1 23 VAL MG1 . . 5.210 2.839 2.677 2.978 . 0 0 "[ . 1 . 2]" 1
28 1 7 PHE HB3 1 23 VAL MG2 . . 3.640 2.173 2.053 2.263 . 0 0 "[ . 1 . 2]" 1
29 1 7 PHE HB3 1 39 TYR QE . . 4.890 4.587 4.517 4.653 . 0 0 "[ . 1 . 2]" 1
30 1 7 PHE QD 1 8 ARG H . . 3.500 3.289 2.972 3.491 . 0 0 "[ . 1 . 2]" 1
31 1 7 PHE QD 1 13 VAL HB . . 5.260 4.900 4.637 5.182 . 0 0 "[ . 1 . 2]" 1
32 1 7 PHE QD 1 13 VAL MG1 . . 4.760 2.596 2.391 2.817 . 0 0 "[ . 1 . 2]" 1
33 1 7 PHE QD 1 13 VAL QG . . 3.570 2.577 2.377 2.790 . 0 0 "[ . 1 . 2]" 1
34 1 7 PHE QD 1 13 VAL MG2 . . 4.760 4.376 4.180 4.506 . 0 0 "[ . 1 . 2]" 1
35 1 7 PHE QD 1 23 VAL HB . . 5.210 5.131 4.908 5.248 0.038 13 0 "[ . 1 . 2]" 1
36 1 7 PHE QD 1 23 VAL MG1 . . 5.150 4.533 4.395 4.662 . 0 0 "[ . 1 . 2]" 1
37 1 7 PHE QD 1 23 VAL MG2 . . 4.130 3.203 2.832 3.440 . 0 0 "[ . 1 . 2]" 1
38 1 7 PHE QD 1 52 VAL MG1 . . 4.440 3.640 3.553 3.728 . 0 0 "[ . 1 . 2]" 1
39 1 7 PHE QD 1 52 VAL MG2 . . 5.100 5.106 5.024 5.151 0.051 20 0 "[ . 1 . 2]" 1
40 1 7 PHE QD 1 57 PRO HB2 . . 4.330 2.826 2.599 2.986 . 0 0 "[ . 1 . 2]" 1
41 1 7 PHE QD 1 62 LEU QB . . 5.050 4.630 4.186 4.917 . 0 0 "[ . 1 . 2]" 1
42 1 7 PHE QD 1 62 LEU QD . . 4.310 2.766 2.642 2.883 . 0 0 "[ . 1 . 2]" 1
43 1 7 PHE QD 1 62 LEU HG . . 5.500 4.989 4.623 5.566 0.066 13 0 "[ . 1 . 2]" 1
44 1 7 PHE QD 1 64 LYS HA . . 5.060 4.987 4.870 5.080 0.020 16 0 "[ . 1 . 2]" 1
45 1 7 PHE QD 1 64 LYS QE . . 4.210 3.487 2.632 4.068 . 0 0 "[ . 1 . 2]" 1
46 1 7 PHE QD 1 64 LYS QG . . 3.470 3.503 3.422 3.653 0.183 18 0 "[ . 1 . 2]" 1
47 1 7 PHE QE 1 11 ASP HB3 . . 5.140 4.529 4.237 4.808 . 0 0 "[ . 1 . 2]" 1
48 1 7 PHE QE 1 13 VAL HA . . 4.870 4.357 4.079 4.548 . 0 0 "[ . 1 . 2]" 1
49 1 7 PHE QE 1 13 VAL HB . . 3.980 3.818 3.549 4.024 0.044 4 0 "[ . 1 . 2]" 1
50 1 7 PHE QE 1 13 VAL QG . . 3.760 2.142 2.039 2.243 . 0 0 "[ . 1 . 2]" 1
51 1 7 PHE QE 1 52 VAL MG1 . . 4.060 3.770 3.658 3.924 . 0 0 "[ . 1 . 2]" 1
52 1 7 PHE QE 1 52 VAL MG2 . . 5.500 5.208 5.110 5.332 . 0 0 "[ . 1 . 2]" 1
53 1 7 PHE QE 1 57 PRO HB2 . . 3.850 2.156 2.094 2.320 . 0 0 "[ . 1 . 2]" 1
54 1 7 PHE QE 1 57 PRO QG . . 4.280 3.290 3.124 3.471 . 0 0 "[ . 1 . 2]" 1
55 1 7 PHE QE 1 58 HIS HA . . 5.060 4.604 4.309 4.923 . 0 0 "[ . 1 . 2]" 1
56 1 7 PHE QE 1 62 LEU QB . . 4.210 3.169 2.450 3.732 . 0 0 "[ . 1 . 2]" 1
57 1 7 PHE QE 1 62 LEU MD1 . . 4.380 3.810 2.366 4.448 0.068 12 0 "[ . 1 . 2]" 1
58 1 7 PHE QE 1 62 LEU QD . . 3.710 2.308 2.234 2.436 . 0 0 "[ . 1 . 2]" 1
59 1 7 PHE QE 1 62 LEU MD2 . . 4.380 2.472 2.240 2.836 . 0 0 "[ . 1 . 2]" 1
60 1 7 PHE QE 1 62 LEU HG . . 5.500 3.839 3.258 4.788 . 0 0 "[ . 1 . 2]" 1
61 1 7 PHE QE 1 63 ARG HA . . 4.400 3.764 3.492 4.224 . 0 0 "[ . 1 . 2]" 1
62 1 7 PHE QE 1 64 LYS H . . 4.510 3.687 3.358 4.069 . 0 0 "[ . 1 . 2]" 1
63 1 7 PHE QE 1 64 LYS HA . . 4.110 3.031 2.877 3.111 . 0 0 "[ . 1 . 2]" 1
64 1 7 PHE QE 1 64 LYS QB . . 3.850 3.735 3.127 3.997 0.147 18 0 "[ . 1 . 2]" 1
65 1 7 PHE QE 1 64 LYS QD . . 4.430 4.057 3.807 4.384 . 0 0 "[ . 1 . 2]" 1
66 1 7 PHE QE 1 64 LYS QE . . 4.610 3.295 2.658 3.887 . 0 0 "[ . 1 . 2]" 1
67 1 7 PHE QE 1 64 LYS HG2 . . 4.400 2.865 2.116 3.976 . 0 0 "[ . 1 . 2]" 1
68 1 7 PHE QE 1 64 LYS QG . . 3.850 2.110 1.972 2.322 . 0 0 "[ . 1 . 2]" 1
69 1 7 PHE QE 1 64 LYS HG3 . . 4.400 2.281 2.084 2.472 . 0 0 "[ . 1 . 2]" 1
70 1 7 PHE HZ 1 13 VAL HA . . 5.500 5.457 5.284 5.576 0.076 6 0 "[ . 1 . 2]" 1
71 1 7 PHE HZ 1 13 VAL HB . . 4.280 4.294 4.194 4.377 0.097 20 0 "[ . 1 . 2]" 1
72 1 7 PHE HZ 1 13 VAL QG . . 3.910 3.496 3.279 3.664 . 0 0 "[ . 1 . 2]" 1
73 1 7 PHE HZ 1 57 PRO HB2 . . 5.310 4.575 4.500 4.743 . 0 0 "[ . 1 . 2]" 1
74 1 7 PHE HZ 1 62 LEU HA . . 5.500 5.163 4.958 5.292 . 0 0 "[ . 1 . 2]" 1
75 1 7 PHE HZ 1 62 LEU QD . . 4.460 2.985 2.241 3.411 . 0 0 "[ . 1 . 2]" 1
76 1 7 PHE HZ 1 62 LEU HG . . 5.190 3.807 2.924 5.251 0.061 13 0 "[ . 1 . 2]" 1
77 1 7 PHE HZ 1 63 ARG HA . . 3.740 2.424 2.075 3.021 . 0 0 "[ . 1 . 2]" 1
78 1 7 PHE HZ 1 63 ARG QB . . 5.340 4.389 3.894 4.945 . 0 0 "[ . 1 . 2]" 1
79 1 7 PHE HZ 1 64 LYS H . . 4.370 3.398 3.053 3.807 . 0 0 "[ . 1 . 2]" 1
80 1 7 PHE HZ 1 64 LYS HA . . 4.300 4.295 4.028 4.383 0.083 20 0 "[ . 1 . 2]" 1
81 1 7 PHE HZ 1 64 LYS QG . . 4.570 3.592 3.055 4.401 . 0 0 "[ . 1 . 2]" 1
82 1 8 ARG H 1 8 ARG HB2 . . 3.660 2.208 2.146 2.284 . 0 0 "[ . 1 . 2]" 1
83 1 8 ARG H 1 8 ARG HB3 . . 3.800 3.474 3.422 3.522 . 0 0 "[ . 1 . 2]" 1
84 1 8 ARG H 1 8 ARG QD . . 4.660 4.192 3.935 4.662 0.002 20 0 "[ . 1 . 2]" 1
85 1 8 ARG H 1 8 ARG HG3 . . 4.750 3.296 2.953 3.556 . 0 0 "[ . 1 . 2]" 1
86 1 8 ARG H 1 11 ASP H . . 4.950 4.753 4.592 4.884 . 0 0 "[ . 1 . 2]" 1
87 1 8 ARG H 1 11 ASP HB2 . . 4.130 3.185 2.952 3.544 . 0 0 "[ . 1 . 2]" 1
88 1 8 ARG H 1 11 ASP HB3 . . 4.430 3.918 3.564 4.404 . 0 0 "[ . 1 . 2]" 1
89 1 8 ARG H 1 23 VAL MG1 . . 5.150 4.662 4.464 4.868 . 0 0 "[ . 1 . 2]" 1
90 1 8 ARG H 1 23 VAL MG2 . . 4.660 4.220 3.917 4.729 0.069 4 0 "[ . 1 . 2]" 1
91 1 8 ARG HA 1 8 ARG QD . . 4.050 3.974 3.893 4.084 0.034 16 0 "[ . 1 . 2]" 1
92 1 8 ARG HA 1 8 ARG HG2 . . 4.080 2.370 2.245 2.563 . 0 0 "[ . 1 . 2]" 1
93 1 8 ARG HA 1 8 ARG HG3 . . 2.810 2.664 2.411 2.841 0.031 13 0 "[ . 1 . 2]" 1
94 1 8 ARG HA 1 9 PRO HD2 . . 3.410 2.564 2.510 2.620 . 0 0 "[ . 1 . 2]" 1
95 1 8 ARG HA 1 9 PRO QD . . 2.760 2.198 2.183 2.221 . 0 0 "[ . 1 . 2]" 1
96 1 8 ARG HA 1 9 PRO HD3 . . 3.410 2.393 2.347 2.448 . 0 0 "[ . 1 . 2]" 1
97 1 8 ARG HB2 1 8 ARG QD . . 2.830 2.417 2.221 2.771 . 0 0 "[ . 1 . 2]" 1
98 1 8 ARG HB2 1 11 ASP H . . 5.500 4.528 4.311 4.713 . 0 0 "[ . 1 . 2]" 1
99 1 8 ARG HB3 1 8 ARG QD . . 3.430 2.450 2.264 3.171 . 0 0 "[ . 1 . 2]" 1
100 1 8 ARG HB3 1 9 PRO HD2 . . 3.800 2.326 2.187 2.425 . 0 0 "[ . 1 . 2]" 1
101 1 8 ARG HB3 1 9 PRO QD . . 3.250 2.303 2.167 2.398 . 0 0 "[ . 1 . 2]" 1
102 1 8 ARG HB3 1 9 PRO HD3 . . 3.800 3.696 3.539 3.787 . 0 0 "[ . 1 . 2]" 1
103 1 8 ARG HG2 1 9 PRO HD2 . . 3.290 2.431 2.283 2.715 . 0 0 "[ . 1 . 2]" 1
104 1 8 ARG HG2 1 9 PRO HD3 . . 3.290 3.340 3.306 3.389 0.099 13 0 "[ . 1 . 2]" 1
105 1 9 PRO HA 1 10 GLY H . . 3.100 2.184 2.155 2.241 . 0 0 "[ . 1 . 2]" 1
106 1 9 PRO HA 1 11 ASP H . . 3.670 3.530 3.473 3.573 . 0 0 "[ . 1 . 2]" 1
107 1 9 PRO HA 1 23 VAL HB . . 3.500 2.537 2.278 2.754 . 0 0 "[ . 1 . 2]" 1
108 1 9 PRO HA 1 23 VAL MG1 . . 3.390 2.793 2.605 2.928 . 0 0 "[ . 1 . 2]" 1
109 1 9 PRO HA 1 23 VAL MG2 . . 4.800 4.181 3.962 4.371 . 0 0 "[ . 1 . 2]" 1
110 1 9 PRO QB 1 10 GLY H . . 3.830 3.216 3.094 3.283 . 0 0 "[ . 1 . 2]" 1
111 1 9 PRO QB 1 23 VAL MG1 . . 4.800 3.542 3.271 3.723 . 0 0 "[ . 1 . 2]" 1
112 1 9 PRO HB2 1 10 GLY H . . 4.420 3.404 3.257 3.476 . 0 0 "[ . 1 . 2]" 1
113 1 9 PRO HB2 1 23 VAL MG1 . . 5.500 4.803 4.595 4.984 . 0 0 "[ . 1 . 2]" 1
114 1 9 PRO HB3 1 10 GLY H . . 4.420 3.954 3.860 4.036 . 0 0 "[ . 1 . 2]" 1
115 1 9 PRO HB3 1 23 VAL MG1 . . 5.500 3.647 3.347 3.843 . 0 0 "[ . 1 . 2]" 1
116 1 10 GLY H 1 11 ASP H . . 3.750 2.813 2.723 2.906 . 0 0 "[ . 1 . 2]" 1
117 1 10 GLY H 1 22 VAL HB . . 5.500 4.152 3.314 5.602 0.102 4 0 "[ . 1 . 2]" 1
118 1 10 GLY H 1 22 VAL QG . . 3.830 3.434 2.365 3.932 0.102 8 0 "[ . 1 . 2]" 1
119 1 10 GLY H 1 23 VAL H . . 4.390 3.403 3.192 3.541 . 0 0 "[ . 1 . 2]" 1
120 1 10 GLY H 1 23 VAL HB . . 3.800 3.121 2.974 3.260 . 0 0 "[ . 1 . 2]" 1
121 1 10 GLY H 1 23 VAL MG2 . . 4.460 4.397 4.321 4.482 0.022 12 0 "[ . 1 . 2]" 1
122 1 10 GLY QA 1 22 VAL QG . . 3.200 2.648 1.969 3.040 . 0 0 "[ . 1 . 2]" 1
123 1 10 GLY HA2 1 22 VAL MG1 . . 4.880 2.974 1.993 3.638 . 0 0 "[ . 1 . 2]" 1
124 1 10 GLY HA2 1 22 VAL MG2 . . 4.880 3.481 3.328 3.658 . 0 0 "[ . 1 . 2]" 1
125 1 10 GLY HA3 1 22 VAL MG1 . . 4.880 4.273 3.391 4.820 . 0 0 "[ . 1 . 2]" 1
126 1 10 GLY HA3 1 22 VAL MG2 . . 4.880 4.876 4.770 4.957 0.077 20 0 "[ . 1 . 2]" 1
127 1 11 ASP H 1 11 ASP HB2 . . 3.480 2.225 2.079 2.402 . 0 0 "[ . 1 . 2]" 1
128 1 11 ASP H 1 11 ASP HB3 . . 3.700 3.150 2.854 3.603 . 0 0 "[ . 1 . 2]" 1
129 1 11 ASP H 1 12 LYS H . . 4.580 4.594 4.567 4.628 0.048 18 0 "[ . 1 . 2]" 1
130 1 11 ASP H 1 23 VAL H . . 4.580 3.794 3.625 4.132 . 0 0 "[ . 1 . 2]" 1
131 1 11 ASP H 1 23 VAL HB . . 3.950 3.494 3.281 3.653 . 0 0 "[ . 1 . 2]" 1
132 1 11 ASP H 1 23 VAL MG1 . . 5.150 4.857 4.669 5.011 . 0 0 "[ . 1 . 2]" 1
133 1 11 ASP H 1 23 VAL MG2 . . 5.220 4.008 3.830 4.165 . 0 0 "[ . 1 . 2]" 1
134 1 11 ASP HA 1 12 LYS H . . 2.980 2.156 2.102 2.212 . 0 0 "[ . 1 . 2]" 1
135 1 11 ASP HB2 1 12 LYS H . . 4.610 4.381 4.285 4.502 . 0 0 "[ . 1 . 2]" 1
136 1 11 ASP HB2 1 13 VAL QG . . 4.000 3.690 3.033 4.087 0.087 2 0 "[ . 1 . 2]" 1
137 1 11 ASP HB2 1 23 VAL HB . . 4.410 4.111 3.516 4.351 . 0 0 "[ . 1 . 2]" 1
138 1 11 ASP HB2 1 23 VAL MG1 . . 5.310 5.093 4.669 5.327 0.017 8 0 "[ . 1 . 2]" 1
139 1 11 ASP HB2 1 23 VAL MG2 . . 3.900 3.755 3.187 3.973 0.073 18 0 "[ . 1 . 2]" 1
140 1 11 ASP HB3 1 12 LYS H . . 3.890 3.655 3.192 3.935 0.045 2 0 "[ . 1 . 2]" 1
141 1 11 ASP HB3 1 13 VAL QG . . 3.020 2.609 2.464 2.780 . 0 0 "[ . 1 . 2]" 1
142 1 11 ASP HB3 1 23 VAL MG2 . . 4.260 3.552 2.951 4.320 0.060 4 0 "[ . 1 . 2]" 1
143 1 12 LYS H 1 12 LYS HB2 . . 3.500 2.202 2.078 2.333 . 0 0 "[ . 1 . 2]" 1
144 1 12 LYS H 1 12 LYS QB . . 2.880 2.170 2.046 2.272 . 0 0 "[ . 1 . 2]" 1
145 1 12 LYS H 1 12 LYS HB3 . . 3.500 3.353 2.911 3.560 0.060 8 0 "[ . 1 . 2]" 1
146 1 12 LYS H 1 12 LYS QG . . 3.940 3.344 2.956 3.897 . 0 0 "[ . 1 . 2]" 1
147 1 12 LYS H 1 13 VAL QG . . 4.430 4.025 3.914 4.093 . 0 0 "[ . 1 . 2]" 1
148 1 12 LYS HA 1 12 LYS QG . . 3.470 2.144 2.050 2.236 . 0 0 "[ . 1 . 2]" 1
149 1 12 LYS HA 1 13 VAL H . . 3.040 2.112 2.059 2.167 . 0 0 "[ . 1 . 2]" 1
150 1 12 LYS HA 1 22 VAL HA . . 5.500 3.882 3.514 4.291 . 0 0 "[ . 1 . 2]" 1
151 1 12 LYS HA 1 22 VAL QG . . 3.790 2.958 2.492 3.627 . 0 0 "[ . 1 . 2]" 1
152 1 12 LYS QB 1 12 LYS QE . . 4.190 3.418 2.304 3.700 . 0 0 "[ . 1 . 2]" 1
153 1 12 LYS QB 1 13 VAL H . . 4.380 3.716 3.495 3.913 . 0 0 "[ . 1 . 2]" 1
154 1 12 LYS QB 1 65 ALA MB . . 3.230 2.278 2.047 2.478 . 0 0 "[ . 1 . 2]" 1
155 1 12 LYS HB2 1 65 ALA MB . . 4.010 3.794 3.438 4.030 0.020 12 0 "[ . 1 . 2]" 1
156 1 12 LYS HB3 1 65 ALA MB . . 4.010 2.297 2.061 2.502 . 0 0 "[ . 1 . 2]" 1
157 1 12 LYS QD 1 65 ALA MB . . 3.750 3.213 2.524 3.819 0.069 5 0 "[ . 1 . 2]" 1
158 1 12 LYS QD 1 67 ALA HA . . 5.500 5.081 4.623 5.398 . 0 0 "[ . 1 . 2]" 1
159 1 12 LYS QE 1 12 LYS QG . . 3.430 2.166 2.069 2.351 . 0 0 "[ . 1 . 2]" 1
160 1 12 LYS QE 1 20 VAL QG . . 4.330 2.967 1.941 4.213 . 0 0 "[ . 1 . 2]" 1
161 1 12 LYS QE 1 22 VAL QG . . 4.330 4.116 3.796 4.341 0.011 7 0 "[ . 1 . 2]" 1
162 1 12 LYS QG 1 13 VAL H . . 3.980 3.629 3.191 4.027 0.047 9 0 "[ . 1 . 2]" 1
163 1 12 LYS QG 1 20 VAL QG . . 5.280 3.001 2.495 3.574 . 0 0 "[ . 1 . 2]" 1
164 1 12 LYS QG 1 22 VAL HA . . 5.340 5.066 4.807 5.455 0.115 9 0 "[ . 1 . 2]" 1
165 1 12 LYS QG 1 22 VAL QG . . 3.770 3.207 2.860 3.725 . 0 0 "[ . 1 . 2]" 1
166 1 12 LYS QG 1 65 ALA MB . . 4.490 3.595 2.520 4.180 . 0 0 "[ . 1 . 2]" 1
167 1 13 VAL H 1 13 VAL MG1 . . 3.780 2.919 2.811 3.000 . 0 0 "[ . 1 . 2]" 1
168 1 13 VAL H 1 13 VAL QG . . 3.090 2.230 2.162 2.280 . 0 0 "[ . 1 . 2]" 1
169 1 13 VAL H 1 13 VAL MG2 . . 3.780 2.314 2.247 2.380 . 0 0 "[ . 1 . 2]" 1
170 1 13 VAL H 1 14 VAL QG . . 5.440 5.422 5.364 5.466 0.026 17 0 "[ . 1 . 2]" 1
171 1 13 VAL H 1 21 GLY H . . 4.270 3.312 3.177 3.545 . 0 0 "[ . 1 . 2]" 1
172 1 13 VAL H 1 65 ALA H . . 5.290 4.296 4.124 4.409 . 0 0 "[ . 1 . 2]" 1
173 1 13 VAL HA 1 23 VAL MG2 . . 5.500 5.505 5.427 5.589 0.089 13 0 "[ . 1 . 2]" 1
174 1 13 VAL HA 1 62 LEU QD . . 4.500 4.054 3.695 4.311 . 0 0 "[ . 1 . 2]" 1
175 1 13 VAL HA 1 64 LYS HA . . 3.380 2.412 2.156 2.604 . 0 0 "[ . 1 . 2]" 1
176 1 13 VAL HA 1 65 ALA H . . 3.540 2.155 1.963 2.273 . 0 0 "[ . 1 . 2]" 1
177 1 13 VAL HA 1 65 ALA HA . . 4.960 4.328 4.147 4.582 . 0 0 "[ . 1 . 2]" 1
178 1 13 VAL HA 1 65 ALA MB . . 4.350 2.873 2.742 3.151 . 0 0 "[ . 1 . 2]" 1
179 1 13 VAL HB 1 14 VAL H . . 3.300 2.548 2.452 2.635 . 0 0 "[ . 1 . 2]" 1
180 1 13 VAL HB 1 23 VAL MG2 . . 4.520 4.337 4.225 4.424 . 0 0 "[ . 1 . 2]" 1
181 1 13 VAL HB 1 62 LEU MD1 . . 4.800 2.779 2.236 3.826 . 0 0 "[ . 1 . 2]" 1
182 1 13 VAL HB 1 62 LEU QD . . 3.490 2.191 1.931 2.430 . 0 0 "[ . 1 . 2]" 1
183 1 13 VAL HB 1 62 LEU MD2 . . 4.800 2.968 1.936 3.520 . 0 0 "[ . 1 . 2]" 1
184 1 13 VAL HB 1 64 LYS HA . . 4.040 3.624 3.431 3.859 . 0 0 "[ . 1 . 2]" 1
185 1 13 VAL QG 1 14 VAL H . . 3.620 3.275 3.219 3.314 . 0 0 "[ . 1 . 2]" 1
186 1 13 VAL QG 1 15 LEU QB . . 4.350 3.294 3.215 3.365 . 0 0 "[ . 1 . 2]" 1
187 1 13 VAL QG 1 15 LEU QD . . 4.940 3.701 3.640 3.772 . 0 0 "[ . 1 . 2]" 1
188 1 13 VAL QG 1 21 GLY H . . 4.150 3.052 2.661 3.258 . 0 0 "[ . 1 . 2]" 1
189 1 13 VAL QG 1 21 GLY QA . . 4.110 3.010 2.706 3.237 . 0 0 "[ . 1 . 2]" 1
190 1 13 VAL QG 1 22 VAL HA . . 3.210 2.768 2.625 3.040 . 0 0 "[ . 1 . 2]" 1
191 1 13 VAL QG 1 23 VAL H . . 4.270 3.011 2.805 3.156 . 0 0 "[ . 1 . 2]" 1
192 1 13 VAL QG 1 23 VAL HA . . 4.870 4.216 4.104 4.327 . 0 0 "[ . 1 . 2]" 1
193 1 13 VAL QG 1 23 VAL MG1 . . 4.630 4.189 4.149 4.257 . 0 0 "[ . 1 . 2]" 1
194 1 13 VAL QG 1 41 VAL HA . . 5.190 4.659 4.466 4.923 . 0 0 "[ . 1 . 2]" 1
195 1 13 VAL QG 1 41 VAL MG1 . . 3.240 2.774 2.541 3.080 . 0 0 "[ . 1 . 2]" 1
196 1 13 VAL QG 1 41 VAL MG2 . . 3.760 3.230 3.085 3.463 . 0 0 "[ . 1 . 2]" 1
197 1 13 VAL QG 1 43 PHE QE . . 4.580 4.417 4.254 4.548 . 0 0 "[ . 1 . 2]" 1
198 1 13 VAL QG 1 62 LEU QD . . 2.850 2.042 1.957 2.181 . 0 0 "[ . 1 . 2]" 1
199 1 13 VAL QG 1 62 LEU HG . . 4.150 3.320 2.972 3.720 . 0 0 "[ . 1 . 2]" 1
200 1 13 VAL QG 1 64 LYS HA . . 3.530 2.270 2.087 2.423 . 0 0 "[ . 1 . 2]" 1
201 1 13 VAL QG 1 64 LYS QE . . 4.650 3.928 3.122 4.605 . 0 0 "[ . 1 . 2]" 1
202 1 13 VAL QG 1 65 ALA H . . 4.340 3.346 3.254 3.519 . 0 0 "[ . 1 . 2]" 1
203 1 13 VAL MG1 1 14 VAL H . . 4.150 3.742 3.659 3.790 . 0 0 "[ . 1 . 2]" 1
204 1 13 VAL MG1 1 23 VAL MG1 . . 5.420 4.783 4.636 4.880 . 0 0 "[ . 1 . 2]" 1
205 1 13 VAL MG1 1 23 VAL MG2 . . 3.350 2.630 2.477 2.712 . 0 0 "[ . 1 . 2]" 1
206 1 13 VAL MG1 1 62 LEU MD1 . . 4.310 3.396 3.331 3.512 . 0 0 "[ . 1 . 2]" 1
207 1 13 VAL MG1 1 62 LEU MD2 . . 4.310 2.819 2.523 3.110 . 0 0 "[ . 1 . 2]" 1
208 1 13 VAL MG1 1 64 LYS HA . . 4.970 2.275 2.090 2.430 . 0 0 "[ . 1 . 2]" 1
209 1 13 VAL MG2 1 14 VAL H . . 4.150 3.617 3.548 3.680 . 0 0 "[ . 1 . 2]" 1
210 1 13 VAL MG2 1 23 VAL MG1 . . 5.420 4.632 4.567 4.700 . 0 0 "[ . 1 . 2]" 1
211 1 13 VAL MG2 1 23 VAL MG2 . . 3.350 2.405 2.307 2.477 . 0 0 "[ . 1 . 2]" 1
212 1 13 VAL MG2 1 62 LEU MD1 . . 4.310 2.403 2.025 3.021 . 0 0 "[ . 1 . 2]" 1
213 1 13 VAL MG2 1 62 LEU MD2 . . 4.310 2.665 2.186 3.317 . 0 0 "[ . 1 . 2]" 1
214 1 13 VAL MG2 1 64 LYS HA . . 4.970 4.700 4.590 4.809 . 0 0 "[ . 1 . 2]" 1
215 1 14 VAL H 1 14 VAL MG1 . . 4.080 2.113 2.044 2.170 . 0 0 "[ . 1 . 2]" 1
216 1 14 VAL H 1 14 VAL QG . . 3.580 2.103 2.036 2.158 . 0 0 "[ . 1 . 2]" 1
217 1 14 VAL H 1 14 VAL MG2 . . 4.080 3.843 3.815 3.868 . 0 0 "[ . 1 . 2]" 1
218 1 14 VAL H 1 62 LEU QD . . 3.730 3.329 2.903 3.623 . 0 0 "[ . 1 . 2]" 1
219 1 14 VAL H 1 63 ARG H . . 4.050 3.099 2.881 3.360 . 0 0 "[ . 1 . 2]" 1
220 1 14 VAL H 1 64 LYS HA . . 4.380 3.743 3.489 4.058 . 0 0 "[ . 1 . 2]" 1
221 1 14 VAL H 1 65 ALA H . . 4.060 3.720 3.347 3.965 . 0 0 "[ . 1 . 2]" 1
222 1 14 VAL H 1 65 ALA MB . . 4.410 3.303 2.899 3.637 . 0 0 "[ . 1 . 2]" 1
223 1 14 VAL HA 1 14 VAL HB . . 2.600 2.318 2.302 2.333 . 0 0 "[ . 1 . 2]" 1
224 1 14 VAL HA 1 14 VAL MG1 . . 3.400 3.227 3.213 3.242 . 0 0 "[ . 1 . 2]" 1
225 1 14 VAL HA 1 14 VAL QG . . 2.600 2.403 2.365 2.450 . 0 0 "[ . 1 . 2]" 1
226 1 14 VAL HA 1 14 VAL MG2 . . 3.400 2.479 2.430 2.538 . 0 0 "[ . 1 . 2]" 1
227 1 14 VAL HA 1 15 LEU H . . 3.460 2.099 2.073 2.125 . 0 0 "[ . 1 . 2]" 1
228 1 14 VAL HA 1 20 VAL HA . . 3.140 2.314 2.259 2.368 . 0 0 "[ . 1 . 2]" 1
229 1 14 VAL HA 1 20 VAL QG . . 4.190 3.511 3.381 3.761 . 0 0 "[ . 1 . 2]" 1
230 1 14 VAL HA 1 21 GLY H . . 4.140 3.352 3.119 3.551 . 0 0 "[ . 1 . 2]" 1
231 1 14 VAL HB 1 15 LEU H . . 5.500 4.033 3.996 4.075 . 0 0 "[ . 1 . 2]" 1
232 1 14 VAL QG 1 15 LEU H . . 3.590 2.562 2.473 2.680 . 0 0 "[ . 1 . 2]" 1
233 1 14 VAL QG 1 16 PRO QD . . 4.010 2.341 2.308 2.393 . 0 0 "[ . 1 . 2]" 1
234 1 14 VAL QG 1 16 PRO QG . . 5.280 3.783 3.731 3.846 . 0 0 "[ . 1 . 2]" 1
235 1 14 VAL QG 1 19 GLY H . . 4.420 3.999 3.910 4.095 . 0 0 "[ . 1 . 2]" 1
236 1 14 VAL QG 1 19 GLY QA . . 3.250 2.562 2.484 2.635 . 0 0 "[ . 1 . 2]" 1
237 1 14 VAL QG 1 20 VAL HA . . 4.300 3.758 3.670 3.840 . 0 0 "[ . 1 . 2]" 1
238 1 14 VAL QG 1 20 VAL QG . . 4.120 3.880 3.723 4.330 0.210 14 0 "[ . 1 . 2]" 1
239 1 14 VAL QG 1 21 GLY H . . 5.440 4.817 4.642 4.962 . 0 0 "[ . 1 . 2]" 1
240 1 14 VAL QG 1 65 ALA H . . 5.410 3.911 3.599 4.185 . 0 0 "[ . 1 . 2]" 1
241 1 14 VAL QG 1 65 ALA HA . . 3.430 3.078 2.806 3.244 . 0 0 "[ . 1 . 2]" 1
242 1 14 VAL QG 1 65 ALA MB . . 3.710 3.077 2.546 3.425 . 0 0 "[ . 1 . 2]" 1
243 1 14 VAL QG 1 66 LEU H . . 5.440 4.966 4.503 5.347 . 0 0 "[ . 1 . 2]" 1
244 1 14 VAL MG1 1 20 VAL HA . . 4.910 5.015 4.982 5.049 0.139 9 0 "[ . 1 . 2]" 1
245 1 14 VAL MG2 1 20 VAL HA . . 4.910 3.883 3.778 3.989 . 0 0 "[ . 1 . 2]" 1
246 1 15 LEU H 1 15 LEU HG . . 5.500 4.659 4.599 4.690 . 0 0 "[ . 1 . 2]" 1
247 1 15 LEU H 1 19 GLY H . . 4.670 3.463 3.396 3.550 . 0 0 "[ . 1 . 2]" 1
248 1 15 LEU H 1 21 GLY H . . 4.700 3.820 3.485 4.054 . 0 0 "[ . 1 . 2]" 1
249 1 15 LEU H 1 43 PHE QE . . 4.460 4.449 4.371 4.489 0.029 9 0 "[ . 1 . 2]" 1
250 1 15 LEU HA 1 15 LEU QD . . 3.380 2.110 2.082 2.131 . 0 0 "[ . 1 . 2]" 1
251 1 15 LEU HA 1 15 LEU HG . . 3.830 3.365 3.335 3.388 . 0 0 "[ . 1 . 2]" 1
252 1 15 LEU HA 1 16 PRO HD2 . . 3.710 2.094 2.074 2.117 . 0 0 "[ . 1 . 2]" 1
253 1 15 LEU HA 1 16 PRO QD . . 3.170 2.029 2.009 2.053 . 0 0 "[ . 1 . 2]" 1
254 1 15 LEU HA 1 16 PRO HD3 . . 3.710 2.722 2.682 2.767 . 0 0 "[ . 1 . 2]" 1
255 1 15 LEU HA 1 16 PRO QG . . 5.110 3.948 3.927 3.973 . 0 0 "[ . 1 . 2]" 1
256 1 15 LEU HA 1 18 TYR QD . . 5.270 5.073 5.041 5.105 . 0 0 "[ . 1 . 2]" 1
257 1 15 LEU HA 1 43 PHE QE . . 5.490 5.072 5.006 5.113 . 0 0 "[ . 1 . 2]" 1
258 1 15 LEU HA 1 62 LEU HA . . 3.950 3.660 3.554 3.807 . 0 0 "[ . 1 . 2]" 1
259 1 15 LEU HA 1 62 LEU QD . . 4.320 3.424 2.903 4.149 . 0 0 "[ . 1 . 2]" 1
260 1 15 LEU HA 1 62 LEU HG . . 5.490 5.135 4.169 5.563 0.073 4 0 "[ . 1 . 2]" 1
261 1 15 LEU QB 1 15 LEU QD . . 2.600 2.001 1.983 2.013 . 0 0 "[ . 1 . 2]" 1
262 1 15 LEU QB 1 18 TYR QD . . 4.220 3.196 3.130 3.273 . 0 0 "[ . 1 . 2]" 1
263 1 15 LEU QB 1 18 TYR QE . . 5.340 4.763 4.684 4.852 . 0 0 "[ . 1 . 2]" 1
264 1 15 LEU QB 1 43 PHE QD . . 4.760 3.957 3.888 4.008 . 0 0 "[ . 1 . 2]" 1
265 1 15 LEU QB 1 43 PHE QE . . 3.260 2.092 2.048 2.130 . 0 0 "[ . 1 . 2]" 1
266 1 15 LEU QB 1 62 LEU QD . . 3.230 2.398 2.014 3.339 0.109 13 0 "[ . 1 . 2]" 1
267 1 15 LEU QB 1 62 LEU HG . . 4.490 4.087 3.034 4.623 0.133 8 0 "[ . 1 . 2]" 1
268 1 15 LEU QB 1 63 ARG H . . 4.900 4.938 4.801 5.045 0.145 12 0 "[ . 1 . 2]" 1
269 1 15 LEU HB2 1 18 TYR QD . . 4.790 4.805 4.749 4.862 0.072 3 0 "[ . 1 . 2]" 1
270 1 15 LEU HB2 1 41 VAL MG1 . . 4.640 3.383 3.202 3.675 . 0 0 "[ . 1 . 2]" 1
271 1 15 LEU HB2 1 43 PHE QD . . 5.500 5.488 5.430 5.543 0.043 20 0 "[ . 1 . 2]" 1
272 1 15 LEU HB3 1 18 TYR QD . . 4.790 3.244 3.175 3.327 . 0 0 "[ . 1 . 2]" 1
273 1 15 LEU HB3 1 41 VAL MG1 . . 4.640 3.316 3.162 3.521 . 0 0 "[ . 1 . 2]" 1
274 1 15 LEU HB3 1 43 PHE QD . . 5.500 4.058 3.983 4.113 . 0 0 "[ . 1 . 2]" 1
275 1 15 LEU QD 1 16 PRO QD . . 3.060 2.324 2.288 2.364 . 0 0 "[ . 1 . 2]" 1
276 1 15 LEU QD 1 17 PRO HD2 . . 4.810 4.816 4.769 4.850 0.040 20 0 "[ . 1 . 2]" 1
277 1 15 LEU QD 1 18 TYR QD . . 3.410 3.549 3.506 3.586 0.176 6 0 "[ . 1 . 2]" 1
278 1 15 LEU QD 1 18 TYR QE . . 3.700 3.708 3.633 3.773 0.073 3 0 "[ . 1 . 2]" 1
279 1 15 LEU QD 1 41 VAL MG1 . . 4.180 2.206 2.152 2.287 . 0 0 "[ . 1 . 2]" 1
280 1 15 LEU QD 1 41 VAL MG2 . . 3.550 2.294 2.214 2.426 . 0 0 "[ . 1 . 2]" 1
281 1 15 LEU QD 1 43 PHE QD . . 4.750 4.396 4.345 4.507 . 0 0 "[ . 1 . 2]" 1
282 1 15 LEU QD 1 43 PHE HZ . . 2.960 2.089 2.049 2.151 . 0 0 "[ . 1 . 2]" 1
283 1 15 LEU QD 1 50 ALA MB . . 3.270 1.997 1.912 2.064 . 0 0 "[ . 1 . 2]" 1
284 1 15 LEU QD 1 52 VAL MG2 . . 3.980 2.473 2.387 2.654 . 0 0 "[ . 1 . 2]" 1
285 1 15 LEU QD 1 60 VAL HB . . 5.440 4.663 3.609 5.299 . 0 0 "[ . 1 . 2]" 1
286 1 15 LEU QD 1 60 VAL QG . . 5.370 2.753 2.451 3.167 . 0 0 "[ . 1 . 2]" 1
287 1 15 LEU QD 1 62 LEU H . . 4.800 3.994 3.778 4.261 . 0 0 "[ . 1 . 2]" 1
288 1 15 LEU QD 1 62 LEU HA . . 3.700 3.210 3.085 3.377 . 0 0 "[ . 1 . 2]" 1
289 1 15 LEU QD 1 62 LEU QB . . 5.280 2.887 2.637 3.366 . 0 0 "[ . 1 . 2]" 1
290 1 15 LEU QD 1 62 LEU QD . . 4.250 2.258 1.947 2.964 . 0 0 "[ . 1 . 2]" 1
291 1 15 LEU QD 1 62 LEU HG . . 4.420 3.719 2.495 4.296 . 0 0 "[ . 1 . 2]" 1
292 1 15 LEU MD1 1 18 TYR QD . . 4.200 4.210 4.194 4.220 0.020 20 0 "[ . 1 . 2]" 1
293 1 15 LEU MD1 1 18 TYR QE . . 4.610 4.585 4.494 4.619 0.009 12 0 "[ . 1 . 2]" 1
294 1 15 LEU MD2 1 18 TYR QD . . 4.200 3.822 3.758 3.880 . 0 0 "[ . 1 . 2]" 1
295 1 15 LEU MD2 1 18 TYR QE . . 4.610 3.917 3.809 4.001 . 0 0 "[ . 1 . 2]" 1
296 1 15 LEU HG 1 18 TYR H . . 5.500 4.778 4.731 4.836 . 0 0 "[ . 1 . 2]" 1
297 1 15 LEU HG 1 18 TYR QD . . 4.250 2.740 2.689 2.780 . 0 0 "[ . 1 . 2]" 1
298 1 15 LEU HG 1 18 TYR QE . . 4.560 3.476 3.378 3.531 . 0 0 "[ . 1 . 2]" 1
299 1 15 LEU HG 1 43 PHE QE . . 5.500 3.269 3.200 3.331 . 0 0 "[ . 1 . 2]" 1
300 1 15 LEU HG 1 43 PHE HZ . . 5.500 3.089 2.959 3.264 . 0 0 "[ . 1 . 2]" 1
301 1 16 PRO HA 1 17 PRO QB . . 4.490 4.211 4.204 4.218 . 0 0 "[ . 1 . 2]" 1
302 1 16 PRO HA 1 18 TYR H . . 3.790 2.855 2.830 2.891 . 0 0 "[ . 1 . 2]" 1
303 1 16 PRO HA 1 19 GLY H . . 4.040 2.107 2.043 2.191 . 0 0 "[ . 1 . 2]" 1
304 1 16 PRO QB 1 17 PRO HA . . 3.680 2.277 2.234 2.326 . 0 0 "[ . 1 . 2]" 1
305 1 16 PRO HB2 1 17 PRO HA . . 4.400 2.357 2.309 2.412 . 0 0 "[ . 1 . 2]" 1
306 1 16 PRO HB3 1 17 PRO HA . . 4.400 3.009 2.971 3.054 . 0 0 "[ . 1 . 2]" 1
307 1 17 PRO HA 1 19 GLY H . . 4.550 4.190 4.118 4.259 . 0 0 "[ . 1 . 2]" 1
308 1 17 PRO HD2 1 18 TYR H . . 4.490 2.832 2.810 2.855 . 0 0 "[ . 1 . 2]" 1
309 1 17 PRO HD2 1 18 TYR QD . . 4.480 3.787 3.676 3.866 . 0 0 "[ . 1 . 2]" 1
310 1 17 PRO HD2 1 18 TYR QE . . 4.100 3.562 3.492 3.643 . 0 0 "[ . 1 . 2]" 1
311 1 17 PRO HD3 1 18 TYR H . . 4.210 3.994 3.978 4.008 . 0 0 "[ . 1 . 2]" 1
312 1 17 PRO HD3 1 18 TYR QD . . 5.380 5.206 5.121 5.265 . 0 0 "[ . 1 . 2]" 1
313 1 17 PRO HD3 1 18 TYR QE . . 5.410 5.050 4.986 5.124 . 0 0 "[ . 1 . 2]" 1
314 1 17 PRO QG 1 18 TYR H . . 5.030 2.925 2.906 2.952 . 0 0 "[ . 1 . 2]" 1
315 1 18 TYR H 1 18 TYR HB3 . . 3.590 3.559 3.555 3.564 . 0 0 "[ . 1 . 2]" 1
316 1 18 TYR H 1 18 TYR QD . . 3.780 2.732 2.670 2.794 . 0 0 "[ . 1 . 2]" 1
317 1 18 TYR H 1 18 TYR QE . . 4.760 4.045 4.000 4.071 . 0 0 "[ . 1 . 2]" 1
318 1 18 TYR H 1 19 GLY H . . 3.670 2.825 2.780 2.852 . 0 0 "[ . 1 . 2]" 1
319 1 18 TYR HA 1 18 TYR HB3 . . 2.600 2.372 2.363 2.380 . 0 0 "[ . 1 . 2]" 1
320 1 18 TYR HA 1 18 TYR QD . . 3.690 2.686 2.624 2.732 . 0 0 "[ . 1 . 2]" 1
321 1 18 TYR HA 1 18 TYR QE . . 4.990 4.778 4.738 4.820 . 0 0 "[ . 1 . 2]" 1
322 1 18 TYR HB2 1 19 GLY H . . 4.370 2.499 2.449 2.591 . 0 0 "[ . 1 . 2]" 1
323 1 18 TYR HB2 1 43 PHE QD . . 3.510 3.267 2.994 3.382 . 0 0 "[ . 1 . 2]" 1
324 1 18 TYR HB2 1 43 PHE QE . . 3.890 3.661 3.340 3.787 . 0 0 "[ . 1 . 2]" 1
325 1 18 TYR HB3 1 19 GLY H . . 4.140 3.750 3.702 3.817 . 0 0 "[ . 1 . 2]" 1
326 1 18 TYR HB3 1 43 PHE QD . . 4.640 3.387 3.115 3.505 . 0 0 "[ . 1 . 2]" 1
327 1 18 TYR HB3 1 43 PHE QE . . 4.840 4.629 4.349 4.748 . 0 0 "[ . 1 . 2]" 1
328 1 18 TYR QD 1 19 GLY H . . 4.760 3.755 3.720 3.811 . 0 0 "[ . 1 . 2]" 1
329 1 18 TYR QD 1 48 SER QB . . 4.740 4.690 4.503 4.744 0.004 13 0 "[ . 1 . 2]" 1
330 1 18 TYR QD 1 50 ALA MB . . 4.530 4.419 4.369 4.541 0.011 20 0 "[ . 1 . 2]" 1
331 1 18 TYR QE 1 48 SER QB . . 4.830 3.350 3.118 3.529 . 0 0 "[ . 1 . 2]" 1
332 1 18 TYR QE 1 50 ALA HA . . 5.340 5.421 5.391 5.461 0.121 20 0 "[ . 1 . 2]" 1
333 1 18 TYR QE 1 50 ALA MB . . 3.920 3.120 3.057 3.569 . 0 0 "[ . 1 . 2]" 1
334 1 19 GLY H 1 20 VAL H . . 4.860 2.874 2.792 2.968 . 0 0 "[ . 1 . 2]" 1
335 1 19 GLY H 1 43 PHE QD . . 5.420 5.407 5.234 5.463 0.043 12 0 "[ . 1 . 2]" 1
336 1 19 GLY H 1 43 PHE QE . . 5.500 5.265 5.013 5.395 . 0 0 "[ . 1 . 2]" 1
337 1 19 GLY QA 1 20 VAL HB . . 4.800 4.636 4.113 4.801 0.001 5 0 "[ . 1 . 2]" 1
338 1 19 GLY QA 1 20 VAL QG . . 4.290 3.384 3.239 3.888 . 0 0 "[ . 1 . 2]" 1
339 1 19 GLY HA2 1 20 VAL H . . 3.510 3.487 3.466 3.499 . 0 0 "[ . 1 . 2]" 1
340 1 19 GLY HA3 1 20 VAL H . . 3.510 3.064 3.048 3.076 . 0 0 "[ . 1 . 2]" 1
341 1 20 VAL H 1 20 VAL HB . . 3.210 3.010 2.930 3.260 0.050 12 0 "[ . 1 . 2]" 1
342 1 20 VAL H 1 20 VAL MG1 . . 4.150 3.705 2.470 4.022 . 0 0 "[ . 1 . 2]" 1
343 1 20 VAL H 1 20 VAL QG . . 3.340 2.880 2.449 3.024 . 0 0 "[ . 1 . 2]" 1
344 1 20 VAL H 1 20 VAL MG2 . . 4.150 3.271 3.054 4.034 . 0 0 "[ . 1 . 2]" 1
345 1 20 VAL H 1 21 GLY H . . 5.180 4.265 4.164 4.336 . 0 0 "[ . 1 . 2]" 1
346 1 20 VAL HA 1 20 VAL MG1 . . 3.680 2.550 2.292 3.285 . 0 0 "[ . 1 . 2]" 1
347 1 20 VAL HA 1 20 VAL MG2 . . 3.680 2.479 2.307 2.555 . 0 0 "[ . 1 . 2]" 1
348 1 20 VAL HA 1 21 GLY H . . 3.250 2.202 2.138 2.270 . 0 0 "[ . 1 . 2]" 1
349 1 20 VAL HA 1 43 PHE QE . . 5.500 5.541 5.514 5.565 0.065 6 0 "[ . 1 . 2]" 1
350 1 20 VAL HB 1 21 GLY H . . 4.570 4.049 3.940 4.163 . 0 0 "[ . 1 . 2]" 1
351 1 20 VAL QG 1 21 GLY H . . 3.630 2.452 2.302 2.654 . 0 0 "[ . 1 . 2]" 1
352 1 21 GLY H 1 22 VAL H . . 4.930 4.429 4.393 4.476 . 0 0 "[ . 1 . 2]" 1
353 1 21 GLY H 1 41 VAL MG1 . . 5.070 4.339 4.056 4.687 . 0 0 "[ . 1 . 2]" 1
354 1 21 GLY H 1 43 PHE QE . . 4.860 4.581 4.358 4.770 . 0 0 "[ . 1 . 2]" 1
355 1 21 GLY QA 1 41 VAL MG1 . . 3.260 2.330 2.066 2.615 . 0 0 "[ . 1 . 2]" 1
356 1 21 GLY QA 1 42 ASP H . . 5.140 4.574 4.080 4.832 . 0 0 "[ . 1 . 2]" 1
357 1 21 GLY QA 1 43 PHE HA . . 3.630 3.101 2.847 3.278 . 0 0 "[ . 1 . 2]" 1
358 1 21 GLY QA 1 43 PHE QD . . 3.260 2.243 2.119 2.352 . 0 0 "[ . 1 . 2]" 1
359 1 21 GLY QA 1 43 PHE QE . . 3.590 2.512 2.395 2.669 . 0 0 "[ . 1 . 2]" 1
360 1 21 GLY HA2 1 22 VAL H . . 3.490 2.418 2.318 2.461 . 0 0 "[ . 1 . 2]" 1
361 1 21 GLY HA2 1 43 PHE QD . . 3.970 2.397 2.158 2.591 . 0 0 "[ . 1 . 2]" 1
362 1 21 GLY HA3 1 22 VAL H . . 3.490 2.747 2.627 2.787 . 0 0 "[ . 1 . 2]" 1
363 1 21 GLY HA3 1 43 PHE QD . . 3.970 2.801 2.583 3.178 . 0 0 "[ . 1 . 2]" 1
364 1 22 VAL H 1 22 VAL HB . . 3.780 3.468 2.648 3.890 0.110 17 0 "[ . 1 . 2]" 1
365 1 22 VAL H 1 22 VAL MG1 . . 4.130 3.307 2.945 3.921 . 0 0 "[ . 1 . 2]" 1
366 1 22 VAL H 1 22 VAL QG . . 3.490 2.520 2.205 3.071 . 0 0 "[ . 1 . 2]" 1
367 1 22 VAL H 1 22 VAL MG2 . . 4.130 2.614 2.275 3.208 . 0 0 "[ . 1 . 2]" 1
368 1 22 VAL H 1 41 VAL MG1 . . 3.740 2.573 2.257 2.811 . 0 0 "[ . 1 . 2]" 1
369 1 22 VAL H 1 42 ASP H . . 3.820 3.221 2.622 3.529 . 0 0 "[ . 1 . 2]" 1
370 1 22 VAL HA 1 22 VAL MG1 . . 3.600 2.384 2.338 2.432 . 0 0 "[ . 1 . 2]" 1
371 1 22 VAL HA 1 22 VAL QG . . 2.930 2.250 2.076 2.342 . 0 0 "[ . 1 . 2]" 1
372 1 22 VAL HA 1 22 VAL MG2 . . 3.600 2.950 2.303 3.276 . 0 0 "[ . 1 . 2]" 1
373 1 22 VAL HA 1 23 VAL H . . 3.170 2.112 2.084 2.137 . 0 0 "[ . 1 . 2]" 1
374 1 22 VAL HA 1 41 VAL MG1 . . 4.610 3.765 3.630 3.955 . 0 0 "[ . 1 . 2]" 1
375 1 22 VAL HB 1 23 VAL H . . 5.130 3.511 2.944 4.406 . 0 0 "[ . 1 . 2]" 1
376 1 22 VAL HB 1 42 ASP H . . 5.500 4.839 3.518 5.506 0.006 2 0 "[ . 1 . 2]" 1
377 1 22 VAL QG 1 23 VAL H . . 3.460 3.253 2.729 3.522 0.062 12 0 "[ . 1 . 2]" 1
378 1 22 VAL QG 1 24 ALA HA . . 4.500 4.175 3.662 4.537 0.037 11 0 "[ . 1 . 2]" 1
379 1 22 VAL QG 1 24 ALA MB . . 4.360 3.980 3.874 4.181 . 0 0 "[ . 1 . 2]" 1
380 1 22 VAL QG 1 41 VAL HA . . 5.440 4.567 4.406 4.882 . 0 0 "[ . 1 . 2]" 1
381 1 22 VAL QG 1 42 ASP H . . 3.890 3.561 3.263 4.050 0.160 20 0 "[ . 1 . 2]" 1
382 1 22 VAL QG 1 42 ASP QB . . 3.680 3.246 2.886 3.737 0.057 20 0 "[ . 1 . 2]" 1
383 1 22 VAL MG1 1 23 VAL H . . 3.990 3.569 2.779 3.990 . 0 0 "[ . 1 . 2]" 1
384 1 22 VAL MG2 1 23 VAL H . . 3.990 3.929 3.809 4.017 0.027 19 0 "[ . 1 . 2]" 1
385 1 23 VAL H 1 23 VAL HB . . 3.500 2.539 2.497 2.630 . 0 0 "[ . 1 . 2]" 1
386 1 23 VAL H 1 23 VAL MG1 . . 3.800 3.792 3.779 3.805 0.005 9 0 "[ . 1 . 2]" 1
387 1 23 VAL H 1 23 VAL MG2 . . 3.430 2.227 2.031 2.351 . 0 0 "[ . 1 . 2]" 1
388 1 23 VAL HA 1 23 VAL MG1 . . 3.420 2.333 2.283 2.380 . 0 0 "[ . 1 . 2]" 1
389 1 23 VAL HA 1 23 VAL MG2 . . 3.410 2.498 2.373 2.579 . 0 0 "[ . 1 . 2]" 1
390 1 23 VAL HA 1 24 ALA H . . 3.140 2.221 2.178 2.253 . 0 0 "[ . 1 . 2]" 1
391 1 23 VAL HA 1 24 ALA MB . . 4.720 3.956 3.910 4.013 . 0 0 "[ . 1 . 2]" 1
392 1 23 VAL HA 1 25 GLY H . . 4.580 4.214 4.095 4.333 . 0 0 "[ . 1 . 2]" 1
393 1 23 VAL HA 1 41 VAL HA . . 3.160 2.399 2.343 2.471 . 0 0 "[ . 1 . 2]" 1
394 1 23 VAL HA 1 41 VAL MG1 . . 4.010 3.306 3.188 3.445 . 0 0 "[ . 1 . 2]" 1
395 1 23 VAL HA 1 41 VAL MG2 . . 3.400 3.069 2.985 3.240 . 0 0 "[ . 1 . 2]" 1
396 1 23 VAL HA 1 42 ASP H . . 4.330 3.719 3.466 3.932 . 0 0 "[ . 1 . 2]" 1
397 1 23 VAL MG1 1 24 ALA H . . 3.530 2.592 2.432 2.834 . 0 0 "[ . 1 . 2]" 1
398 1 23 VAL MG1 1 25 GLY H . . 3.430 2.800 2.624 2.979 . 0 0 "[ . 1 . 2]" 1
399 1 23 VAL MG1 1 25 GLY HA2 . . 4.970 3.367 3.275 3.486 . 0 0 "[ . 1 . 2]" 1
400 1 23 VAL MG1 1 25 GLY QA . . 4.320 3.275 3.188 3.384 . 0 0 "[ . 1 . 2]" 1
401 1 23 VAL MG1 1 25 GLY HA3 . . 4.970 4.477 4.380 4.585 . 0 0 "[ . 1 . 2]" 1
402 1 23 VAL MG1 1 26 ILE MD . . 3.950 3.774 3.667 3.888 . 0 0 "[ . 1 . 2]" 1
403 1 23 VAL MG1 1 39 TYR H . . 5.480 5.113 5.041 5.255 . 0 0 "[ . 1 . 2]" 1
404 1 23 VAL MG1 1 39 TYR HA . . 3.920 3.354 3.249 3.490 . 0 0 "[ . 1 . 2]" 1
405 1 23 VAL MG1 1 39 TYR HB2 . . 3.900 3.537 3.413 3.718 . 0 0 "[ . 1 . 2]" 1
406 1 23 VAL MG1 1 39 TYR HB3 . . 3.770 2.103 2.025 2.209 . 0 0 "[ . 1 . 2]" 1
407 1 23 VAL MG1 1 39 TYR QD . . 3.650 3.226 3.116 3.386 . 0 0 "[ . 1 . 2]" 1
408 1 23 VAL MG1 1 40 GLN H . . 4.230 3.569 3.320 3.816 . 0 0 "[ . 1 . 2]" 1
409 1 23 VAL MG1 1 41 VAL HA . . 4.110 3.997 3.847 4.123 0.013 20 0 "[ . 1 . 2]" 1
410 1 23 VAL MG1 1 41 VAL MG2 . . 5.500 3.495 3.372 3.752 . 0 0 "[ . 1 . 2]" 1
411 1 23 VAL MG2 1 24 ALA H . . 4.860 4.177 4.079 4.272 . 0 0 "[ . 1 . 2]" 1
412 1 23 VAL MG2 1 39 TYR HB2 . . 3.990 3.881 3.800 3.999 0.009 9 0 "[ . 1 . 2]" 1
413 1 23 VAL MG2 1 39 TYR HB3 . . 4.990 3.064 2.935 3.244 . 0 0 "[ . 1 . 2]" 1
414 1 23 VAL MG2 1 39 TYR QD . . 4.320 4.065 3.948 4.207 . 0 0 "[ . 1 . 2]" 1
415 1 23 VAL MG2 1 39 TYR QE . . 5.500 5.148 4.970 5.356 . 0 0 "[ . 1 . 2]" 1
416 1 23 VAL MG2 1 41 VAL HA . . 4.320 3.839 3.636 4.020 . 0 0 "[ . 1 . 2]" 1
417 1 23 VAL MG2 1 41 VAL MG1 . . 3.810 3.252 3.048 3.553 . 0 0 "[ . 1 . 2]" 1
418 1 23 VAL MG2 1 41 VAL MG2 . . 5.500 2.681 2.420 3.002 . 0 0 "[ . 1 . 2]" 1
419 1 23 VAL MG2 1 62 LEU QD . . 3.380 2.991 2.841 3.131 . 0 0 "[ . 1 . 2]" 1
420 1 24 ALA H 1 24 ALA MB . . 3.310 2.308 2.219 2.346 . 0 0 "[ . 1 . 2]" 1
421 1 24 ALA H 1 25 GLY H . . 3.510 2.355 2.250 2.497 . 0 0 "[ . 1 . 2]" 1
422 1 24 ALA H 1 40 GLN QG . . 5.340 4.389 3.793 5.217 . 0 0 "[ . 1 . 2]" 1
423 1 24 ALA H 1 41 VAL HA . . 3.830 3.306 3.071 3.475 . 0 0 "[ . 1 . 2]" 1
424 1 24 ALA H 1 41 VAL MG1 . . 5.100 4.827 4.646 4.961 . 0 0 "[ . 1 . 2]" 1
425 1 24 ALA H 1 41 VAL MG2 . . 4.540 4.435 4.334 4.529 . 0 0 "[ . 1 . 2]" 1
426 1 24 ALA H 1 42 ASP H . . 4.640 4.089 3.739 4.440 . 0 0 "[ . 1 . 2]" 1
427 1 24 ALA MB 1 25 GLY H . . 3.670 2.517 2.377 2.602 . 0 0 "[ . 1 . 2]" 1
428 1 24 ALA MB 1 40 GLN H . . 4.700 4.134 4.022 4.246 . 0 0 "[ . 1 . 2]" 1
429 1 24 ALA MB 1 40 GLN QB . . 3.270 2.313 2.137 2.562 . 0 0 "[ . 1 . 2]" 1
430 1 24 ALA MB 1 40 GLN HE21 . . 4.210 3.047 1.954 4.279 0.069 20 0 "[ . 1 . 2]" 1
431 1 24 ALA MB 1 40 GLN HE22 . . 5.310 3.648 2.400 4.463 . 0 0 "[ . 1 . 2]" 1
432 1 24 ALA MB 1 42 ASP H . . 4.680 3.762 3.351 4.274 . 0 0 "[ . 1 . 2]" 1
433 1 24 ALA MB 1 42 ASP HB2 . . 4.680 3.106 2.463 3.542 . 0 0 "[ . 1 . 2]" 1
434 1 24 ALA MB 1 42 ASP HB3 . . 4.680 3.618 2.782 4.448 . 0 0 "[ . 1 . 2]" 1
435 1 25 GLY H 1 26 ILE H . . 4.770 4.384 4.370 4.401 . 0 0 "[ . 1 . 2]" 1
436 1 25 GLY H 1 39 TYR HA . . 4.300 4.114 4.002 4.273 . 0 0 "[ . 1 . 2]" 1
437 1 25 GLY H 1 40 GLN H . . 4.200 2.952 2.850 3.072 . 0 0 "[ . 1 . 2]" 1
438 1 25 GLY H 1 40 GLN QB . . 3.580 2.656 2.398 2.826 . 0 0 "[ . 1 . 2]" 1
439 1 25 GLY H 1 40 GLN HE21 . . 5.500 5.053 3.154 5.576 0.076 3 0 "[ . 1 . 2]" 1
440 1 25 GLY H 1 40 GLN QG . . 4.750 4.353 3.636 4.878 0.128 12 0 "[ . 1 . 2]" 1
441 1 25 GLY HA2 1 26 ILE H . . 3.380 2.494 2.455 2.542 . 0 0 "[ . 1 . 2]" 1
442 1 25 GLY HA3 1 26 ILE H . . 3.380 2.567 2.500 2.596 . 0 0 "[ . 1 . 2]" 1
443 1 26 ILE H 1 26 ILE HB . . 3.560 2.499 2.471 2.528 . 0 0 "[ . 1 . 2]" 1
444 1 26 ILE H 1 26 ILE MD . . 2.710 2.257 2.182 2.398 . 0 0 "[ . 1 . 2]" 1
445 1 26 ILE H 1 26 ILE QG . . 3.980 3.453 3.384 3.558 . 0 0 "[ . 1 . 2]" 1
446 1 26 ILE H 1 26 ILE MG . . 4.100 3.802 3.790 3.819 . 0 0 "[ . 1 . 2]" 1
447 1 26 ILE H 1 27 ALA H . . 4.560 4.382 4.272 4.481 . 0 0 "[ . 1 . 2]" 1
448 1 26 ILE HA 1 26 ILE MD . . 3.140 3.161 3.117 3.189 0.049 1 0 "[ . 1 . 2]" 1
449 1 26 ILE HA 1 26 ILE HG12 . . 3.930 3.676 3.659 3.696 . 0 0 "[ . 1 . 2]" 1
450 1 26 ILE HA 1 26 ILE QG . . 3.420 2.420 2.396 2.446 . 0 0 "[ . 1 . 2]" 1
451 1 26 ILE HA 1 26 ILE HG13 . . 3.930 2.454 2.429 2.482 . 0 0 "[ . 1 . 2]" 1
452 1 26 ILE HA 1 26 ILE MG . . 3.350 2.347 2.304 2.376 . 0 0 "[ . 1 . 2]" 1
453 1 26 ILE HA 1 27 ALA H . . 3.100 2.117 2.091 2.146 . 0 0 "[ . 1 . 2]" 1
454 1 26 ILE HA 1 37 ALA MB . . 4.870 4.190 4.118 4.279 . 0 0 "[ . 1 . 2]" 1
455 1 26 ILE HA 1 38 TYR H . . 4.270 3.901 3.789 4.035 . 0 0 "[ . 1 . 2]" 1
456 1 26 ILE HA 1 39 TYR QD . . 3.810 3.098 3.003 3.208 . 0 0 "[ . 1 . 2]" 1
457 1 26 ILE HA 1 40 GLN H . . 4.130 3.646 3.464 3.752 . 0 0 "[ . 1 . 2]" 1
458 1 26 ILE HB 1 26 ILE MD . . 3.560 2.379 2.355 2.408 . 0 0 "[ . 1 . 2]" 1
459 1 26 ILE HB 1 27 ALA H . . 4.770 4.382 4.254 4.488 . 0 0 "[ . 1 . 2]" 1
460 1 26 ILE MD 1 26 ILE MG . . 4.000 3.246 3.233 3.262 . 0 0 "[ . 1 . 2]" 1
461 1 26 ILE MD 1 27 ALA H . . 4.850 4.899 4.881 4.916 0.066 13 0 "[ . 1 . 2]" 1
462 1 26 ILE MD 1 37 ALA MB . . 5.500 4.710 4.603 4.814 . 0 0 "[ . 1 . 2]" 1
463 1 26 ILE MD 1 39 TYR HA . . 4.390 4.183 4.112 4.260 . 0 0 "[ . 1 . 2]" 1
464 1 26 ILE MD 1 39 TYR QD . . 3.930 2.892 2.819 2.995 . 0 0 "[ . 1 . 2]" 1
465 1 26 ILE MD 1 39 TYR QE . . 3.670 2.715 2.573 2.881 . 0 0 "[ . 1 . 2]" 1
466 1 26 ILE MD 1 54 VAL MG1 . . 4.210 4.172 4.142 4.198 . 0 0 "[ . 1 . 2]" 1
467 1 26 ILE QG 1 27 ALA H . . 5.080 4.217 4.082 4.345 . 0 0 "[ . 1 . 2]" 1
468 1 26 ILE QG 1 28 GLN QG . . 5.340 5.216 5.168 5.266 . 0 0 "[ . 1 . 2]" 1
469 1 26 ILE QG 1 37 ALA MB . . 4.410 3.320 3.192 3.442 . 0 0 "[ . 1 . 2]" 1
470 1 26 ILE QG 1 39 TYR HA . . 5.340 3.687 3.577 3.758 . 0 0 "[ . 1 . 2]" 1
471 1 26 ILE QG 1 39 TYR QE . . 3.030 2.288 2.190 2.374 . 0 0 "[ . 1 . 2]" 1
472 1 26 ILE QG 1 54 VAL MG1 . . 3.410 2.948 2.886 2.975 . 0 0 "[ . 1 . 2]" 1
473 1 26 ILE HG12 1 26 ILE MG . . 3.690 2.135 2.120 2.161 . 0 0 "[ . 1 . 2]" 1
474 1 26 ILE HG12 1 39 TYR QD . . 4.190 3.927 3.890 3.995 . 0 0 "[ . 1 . 2]" 1
475 1 26 ILE HG13 1 26 ILE MG . . 3.690 2.475 2.429 2.545 . 0 0 "[ . 1 . 2]" 1
476 1 26 ILE HG13 1 39 TYR QD . . 4.190 2.271 2.216 2.326 . 0 0 "[ . 1 . 2]" 1
477 1 26 ILE MG 1 27 ALA H . . 3.570 2.883 2.635 3.116 . 0 0 "[ . 1 . 2]" 1
478 1 26 ILE MG 1 28 GLN QB . . 5.500 4.485 4.454 4.530 . 0 0 "[ . 1 . 2]" 1
479 1 26 ILE MG 1 28 GLN HE21 . . 5.070 4.505 3.912 4.872 . 0 0 "[ . 1 . 2]" 1
480 1 26 ILE MG 1 37 ALA HA . . 3.960 2.923 2.862 3.002 . 0 0 "[ . 1 . 2]" 1
481 1 26 ILE MG 1 37 ALA MB . . 3.080 1.925 1.895 1.954 . 0 0 "[ . 1 . 2]" 1
482 1 26 ILE MG 1 38 TYR H . . 4.020 2.854 2.708 3.034 . 0 0 "[ . 1 . 2]" 1
483 1 26 ILE MG 1 39 TYR H . . 5.500 4.831 4.718 4.961 . 0 0 "[ . 1 . 2]" 1
484 1 26 ILE MG 1 39 TYR QD . . 4.940 3.980 3.918 4.059 . 0 0 "[ . 1 . 2]" 1
485 1 26 ILE MG 1 39 TYR QE . . 4.000 4.033 3.900 4.119 0.119 13 0 "[ . 1 . 2]" 1
486 1 26 ILE MG 1 54 VAL MG1 . . 3.700 2.956 2.830 3.056 . 0 0 "[ . 1 . 2]" 1
487 1 27 ALA H 1 27 ALA MB . . 3.500 2.375 2.323 2.452 . 0 0 "[ . 1 . 2]" 1
488 1 27 ALA H 1 37 ALA MB . . 5.040 4.445 4.188 4.686 . 0 0 "[ . 1 . 2]" 1
489 1 27 ALA H 1 38 TYR H . . 4.090 2.837 2.538 3.133 . 0 0 "[ . 1 . 2]" 1
490 1 27 ALA H 1 38 TYR HB2 . . 4.090 3.908 3.704 4.114 0.024 6 0 "[ . 1 . 2]" 1
491 1 27 ALA H 1 39 TYR HA . . 4.430 3.622 3.438 3.803 . 0 0 "[ . 1 . 2]" 1
492 1 27 ALA H 1 39 TYR QD . . 5.330 4.786 4.669 4.892 . 0 0 "[ . 1 . 2]" 1
493 1 27 ALA H 1 40 GLN H . . 4.640 3.669 3.191 4.047 . 0 0 "[ . 1 . 2]" 1
494 1 27 ALA HA 1 28 GLN H . . 2.940 2.198 2.169 2.219 . 0 0 "[ . 1 . 2]" 1
495 1 27 ALA MB 1 28 GLN H . . 3.730 3.417 3.374 3.444 . 0 0 "[ . 1 . 2]" 1
496 1 27 ALA MB 1 38 TYR H . . 4.510 3.660 3.529 3.797 . 0 0 "[ . 1 . 2]" 1
497 1 27 ALA MB 1 38 TYR HB2 . . 3.470 3.236 3.023 3.432 . 0 0 "[ . 1 . 2]" 1
498 1 27 ALA MB 1 38 TYR HB3 . . 4.310 4.212 4.026 4.355 0.045 4 0 "[ . 1 . 2]" 1
499 1 27 ALA MB 1 40 GLN QB . . 3.940 3.089 2.379 3.960 0.020 2 0 "[ . 1 . 2]" 1
500 1 27 ALA MB 1 51 TYR QD . . 3.880 3.463 3.001 3.926 0.046 20 0 "[ . 1 . 2]" 1
501 1 27 ALA MB 1 51 TYR QE . . 3.500 2.623 2.325 3.007 . 0 0 "[ . 1 . 2]" 1
502 1 28 GLN H 1 28 GLN QB . . 3.570 2.521 2.426 2.555 . 0 0 "[ . 1 . 2]" 1
503 1 28 GLN H 1 37 ALA MB . . 4.680 4.765 4.736 4.782 0.102 11 0 "[ . 1 . 2]" 1
504 1 28 GLN HA 1 28 GLN HE21 . . 4.070 3.523 3.353 3.697 . 0 0 "[ . 1 . 2]" 1
505 1 28 GLN HA 1 29 ARG H . . 3.260 2.110 2.091 2.135 . 0 0 "[ . 1 . 2]" 1
506 1 28 GLN HA 1 37 ALA HA . . 3.960 2.217 2.156 2.299 . 0 0 "[ . 1 . 2]" 1
507 1 28 GLN HA 1 37 ALA MB . . 4.630 3.666 3.616 3.719 . 0 0 "[ . 1 . 2]" 1
508 1 28 GLN HA 1 38 TYR H . . 4.490 3.391 3.135 3.638 . 0 0 "[ . 1 . 2]" 1
509 1 28 GLN HA 1 38 TYR QD . . 4.040 3.829 3.673 3.967 . 0 0 "[ . 1 . 2]" 1
510 1 28 GLN QB 1 28 GLN HE22 . . 3.710 3.540 3.415 3.703 . 0 0 "[ . 1 . 2]" 1
511 1 28 GLN QB 1 29 ARG H . . 3.460 3.370 3.265 3.432 . 0 0 "[ . 1 . 2]" 1
512 1 28 GLN HE21 1 36 ARG HA . . 4.660 3.385 3.144 3.648 . 0 0 "[ . 1 . 2]" 1
513 1 28 GLN HE21 1 37 ALA H . . 5.500 3.051 2.702 3.389 . 0 0 "[ . 1 . 2]" 1
514 1 28 GLN HE21 1 37 ALA MB . . 4.280 2.838 2.126 3.376 . 0 0 "[ . 1 . 2]" 1
515 1 28 GLN QG 1 29 ARG H . . 4.360 4.264 4.197 4.302 . 0 0 "[ . 1 . 2]" 1
516 1 28 GLN QG 1 37 ALA HA . . 4.920 2.433 2.238 2.595 . 0 0 "[ . 1 . 2]" 1
517 1 28 GLN QG 1 37 ALA MB . . 3.280 2.401 2.306 2.471 . 0 0 "[ . 1 . 2]" 1
518 1 28 GLN QG 1 54 VAL MG1 . . 5.500 5.210 5.117 5.281 . 0 0 "[ . 1 . 2]" 1
519 1 29 ARG H 1 29 ARG QB . . 2.630 2.335 2.216 2.517 . 0 0 "[ . 1 . 2]" 1
520 1 29 ARG H 1 29 ARG HG2 . . 5.070 3.568 2.909 4.784 . 0 0 "[ . 1 . 2]" 1
521 1 29 ARG H 1 29 ARG QG . . 4.210 3.249 2.764 4.130 . 0 0 "[ . 1 . 2]" 1
522 1 29 ARG H 1 29 ARG HG3 . . 5.070 3.929 2.911 4.569 . 0 0 "[ . 1 . 2]" 1
523 1 29 ARG H 1 36 ARG H . . 3.960 3.126 2.935 3.293 . 0 0 "[ . 1 . 2]" 1
524 1 29 ARG H 1 37 ALA HA . . 3.860 3.632 3.554 3.699 . 0 0 "[ . 1 . 2]" 1
525 1 29 ARG H 1 38 TYR QD . . 4.000 2.650 2.434 2.809 . 0 0 "[ . 1 . 2]" 1
526 1 29 ARG H 1 38 TYR QE . . 4.420 3.851 3.757 3.960 . 0 0 "[ . 1 . 2]" 1
527 1 29 ARG HA 1 29 ARG HG2 . . 3.850 2.663 2.174 3.785 . 0 0 "[ . 1 . 2]" 1
528 1 29 ARG HA 1 29 ARG QG . . 3.080 2.513 2.097 2.960 . 0 0 "[ . 1 . 2]" 1
529 1 29 ARG HA 1 29 ARG HG3 . . 3.850 3.499 2.465 3.857 0.007 4 0 "[ . 1 . 2]" 1
530 1 29 ARG HA 1 38 TYR QD . . 4.960 4.768 4.651 4.900 . 0 0 "[ . 1 . 2]" 1
531 1 29 ARG HA 1 38 TYR QE . . 5.500 5.451 5.365 5.514 0.014 8 0 "[ . 1 . 2]" 1
532 1 29 ARG QB 1 38 TYR QD . . 3.640 2.286 2.138 2.447 . 0 0 "[ . 1 . 2]" 1
533 1 29 ARG QB 1 38 TYR QE . . 3.620 2.588 2.447 2.869 . 0 0 "[ . 1 . 2]" 1
534 1 29 ARG HB2 1 38 TYR QD . . 4.390 2.327 2.155 2.850 . 0 0 "[ . 1 . 2]" 1
535 1 29 ARG HB2 1 38 TYR QE . . 4.410 2.766 2.482 3.947 . 0 0 "[ . 1 . 2]" 1
536 1 29 ARG HB3 1 38 TYR QD . . 4.390 3.822 2.483 4.122 . 0 0 "[ . 1 . 2]" 1
537 1 29 ARG HB3 1 38 TYR QE . . 4.410 3.578 2.471 4.116 . 0 0 "[ . 1 . 2]" 1
538 1 29 ARG QD 1 38 TYR QD . . 5.340 4.523 2.681 5.115 . 0 0 "[ . 1 . 2]" 1
539 1 29 ARG QD 1 51 TYR QD . . 5.340 4.201 2.308 5.065 . 0 0 "[ . 1 . 2]" 1
540 1 29 ARG QD 1 51 TYR QE . . 4.530 3.776 2.434 4.398 . 0 0 "[ . 1 . 2]" 1
541 1 29 ARG QG 1 38 TYR QD . . 4.280 3.140 2.330 4.090 . 0 0 "[ . 1 . 2]" 1
542 1 29 ARG QG 1 38 TYR QE . . 4.690 4.057 3.600 4.704 0.014 2 0 "[ . 1 . 2]" 1
543 1 29 ARG QG 1 51 TYR QD . . 5.340 3.388 2.223 4.861 . 0 0 "[ . 1 . 2]" 1
544 1 29 ARG HG2 1 38 TYR QD . . 5.070 3.883 3.039 5.133 0.063 2 0 "[ . 1 . 2]" 1
545 1 29 ARG HG3 1 38 TYR QD . . 5.070 3.420 2.397 5.115 0.045 14 0 "[ . 1 . 2]" 1
546 1 30 SER HA 1 31 VAL H . . 3.540 2.186 2.110 2.253 . 0 0 "[ . 1 . 2]" 1
547 1 30 SER HA 1 31 VAL HB . . 4.910 4.759 4.667 4.882 . 0 0 "[ . 1 . 2]" 1
548 1 30 SER HA 1 34 VAL H . . 5.270 4.525 4.203 4.743 . 0 0 "[ . 1 . 2]" 1
549 1 30 SER HA 1 35 SER HA . . 3.710 2.375 2.061 3.102 . 0 0 "[ . 1 . 2]" 1
550 1 30 SER HA 1 36 ARG H . . 4.410 3.818 3.699 4.082 . 0 0 "[ . 1 . 2]" 1
551 1 30 SER QB 1 31 VAL H . . 3.790 3.661 3.494 3.947 0.157 15 0 "[ . 1 . 2]" 1
552 1 30 SER QB 1 35 SER HA . . 4.700 4.076 3.644 4.632 . 0 0 "[ . 1 . 2]" 1
553 1 31 VAL H 1 31 VAL HB . . 3.970 2.932 2.673 3.481 . 0 0 "[ . 1 . 2]" 1
554 1 31 VAL H 1 31 VAL QG . . 4.110 2.702 2.180 2.926 . 0 0 "[ . 1 . 2]" 1
555 1 31 VAL H 1 34 VAL H . . 4.720 3.251 2.974 3.418 . 0 0 "[ . 1 . 2]" 1
556 1 31 VAL H 1 34 VAL QG . . 4.620 3.774 3.534 4.533 . 0 0 "[ . 1 . 2]" 1
557 1 31 VAL H 1 35 SER HA . . 4.680 3.240 2.804 3.918 . 0 0 "[ . 1 . 2]" 1
558 1 31 VAL HA 1 31 VAL MG1 . . 3.310 2.628 2.276 3.285 . 0 0 "[ . 1 . 2]" 1
559 1 31 VAL HA 1 31 VAL QG . . 2.620 2.176 2.101 2.335 . 0 0 "[ . 1 . 2]" 1
560 1 31 VAL HA 1 31 VAL MG2 . . 3.310 2.404 2.305 2.479 . 0 0 "[ . 1 . 2]" 1
561 1 31 VAL HB 1 36 ARG QD . . 4.750 4.160 2.927 4.857 0.107 2 0 "[ . 1 . 2]" 1
562 1 31 VAL QG 1 33 GLY H . . 5.440 4.337 4.187 4.524 . 0 0 "[ . 1 . 2]" 1
563 1 31 VAL QG 1 36 ARG QD . . 4.630 3.377 2.136 4.610 . 0 0 "[ . 1 . 2]" 1
564 1 31 VAL QG 1 36 ARG HG3 . . 4.760 3.217 2.076 4.448 . 0 0 "[ . 1 . 2]" 1
565 1 31 VAL QG 1 38 TYR QD . . 5.440 4.697 3.991 5.147 . 0 0 "[ . 1 . 2]" 1
566 1 31 VAL QG 1 38 TYR QE . . 4.210 3.186 2.328 3.676 . 0 0 "[ . 1 . 2]" 1
567 1 32 SER QB 1 34 VAL QG . . 2.760 2.612 2.183 3.174 0.414 19 0 "[ . 1 . 2]" 1
568 1 33 GLY H 1 34 VAL H . . 4.860 2.739 2.645 2.838 . 0 0 "[ . 1 . 2]" 1
569 1 34 VAL H 1 34 VAL HB . . 3.700 3.263 2.648 3.752 0.052 14 0 "[ . 1 . 2]" 1
570 1 34 VAL H 1 34 VAL QG . . 3.340 2.291 2.106 2.729 . 0 0 "[ . 1 . 2]" 1
571 1 34 VAL HA 1 34 VAL QG . . 2.890 2.251 2.108 2.345 . 0 0 "[ . 1 . 2]" 1
572 1 34 VAL QG 1 35 SER H . . 4.220 2.927 2.251 3.630 . 0 0 "[ . 1 . 2]" 1
573 1 34 VAL QG 1 36 ARG H . . 4.620 4.179 3.901 4.557 . 0 0 "[ . 1 . 2]" 1
574 1 34 VAL QG 1 36 ARG QD . . 3.880 3.369 2.910 3.882 0.002 5 0 "[ . 1 . 2]" 1
575 1 35 SER HA 1 36 ARG H . . 3.110 2.165 2.119 2.212 . 0 0 "[ . 1 . 2]" 1
576 1 35 SER QB 1 36 ARG H . . 3.960 3.468 3.311 3.876 . 0 0 "[ . 1 . 2]" 1
577 1 35 SER HB2 1 36 ARG H . . 4.510 4.079 3.508 4.551 0.041 15 0 "[ . 1 . 2]" 1
578 1 35 SER HB3 1 36 ARG H . . 4.510 3.864 3.460 4.529 0.019 20 0 "[ . 1 . 2]" 1
579 1 36 ARG H 1 36 ARG QB . . 3.660 2.720 2.635 2.819 . 0 0 "[ . 1 . 2]" 1
580 1 36 ARG H 1 36 ARG HG2 . . 4.040 3.407 3.177 3.654 . 0 0 "[ . 1 . 2]" 1
581 1 36 ARG H 1 36 ARG HG3 . . 2.740 2.745 2.598 2.797 0.057 6 0 "[ . 1 . 2]" 1
582 1 36 ARG H 1 37 ALA H . . 5.110 4.473 4.409 4.524 . 0 0 "[ . 1 . 2]" 1
583 1 36 ARG H 1 38 TYR QE . . 4.350 3.969 3.839 4.120 . 0 0 "[ . 1 . 2]" 1
584 1 36 ARG HA 1 36 ARG QD . . 4.280 3.900 3.685 4.184 . 0 0 "[ . 1 . 2]" 1
585 1 36 ARG HA 1 36 ARG HG2 . . 3.460 2.569 2.456 2.701 . 0 0 "[ . 1 . 2]" 1
586 1 36 ARG HA 1 36 ARG HG3 . . 3.800 3.476 3.353 3.608 . 0 0 "[ . 1 . 2]" 1
587 1 36 ARG HA 1 37 ALA H . . 3.230 2.133 2.117 2.148 . 0 0 "[ . 1 . 2]" 1
588 1 36 ARG QB 1 36 ARG QD . . 2.600 2.129 2.052 2.357 . 0 0 "[ . 1 . 2]" 1
589 1 36 ARG QB 1 37 ALA H . . 4.110 2.960 2.897 2.988 . 0 0 "[ . 1 . 2]" 1
590 1 36 ARG QB 1 38 TYR QD . . 4.180 3.465 3.388 3.538 . 0 0 "[ . 1 . 2]" 1
591 1 36 ARG QB 1 38 TYR QE . . 3.610 2.218 2.129 2.337 . 0 0 "[ . 1 . 2]" 1
592 1 36 ARG HB2 1 36 ARG QD . . 2.990 2.684 2.448 3.064 0.074 2 0 "[ . 1 . 2]" 1
593 1 36 ARG HB2 1 38 TYR QD . . 4.990 3.588 3.513 3.665 . 0 0 "[ . 1 . 2]" 1
594 1 36 ARG HB2 1 38 TYR QE . . 4.310 2.236 2.146 2.355 . 0 0 "[ . 1 . 2]" 1
595 1 36 ARG HB3 1 36 ARG QD . . 2.990 2.243 2.124 2.471 . 0 0 "[ . 1 . 2]" 1
596 1 36 ARG HB3 1 38 TYR QD . . 4.990 4.575 4.438 4.749 . 0 0 "[ . 1 . 2]" 1
597 1 36 ARG HB3 1 38 TYR QE . . 4.310 3.687 3.536 3.894 . 0 0 "[ . 1 . 2]" 1
598 1 36 ARG QD 1 36 ARG HG2 . . 2.620 2.451 2.152 2.577 . 0 0 "[ . 1 . 2]" 1
599 1 36 ARG QD 1 37 ALA H . . 5.500 4.948 4.709 5.309 . 0 0 "[ . 1 . 2]" 1
600 1 36 ARG QD 1 38 TYR QE . . 4.460 3.807 3.454 4.314 . 0 0 "[ . 1 . 2]" 1
601 1 36 ARG QD 1 53 PRO HB3 . . 5.500 5.216 5.006 5.454 . 0 0 "[ . 1 . 2]" 1
602 1 36 ARG HG2 1 37 ALA H . . 5.500 4.513 4.405 4.629 . 0 0 "[ . 1 . 2]" 1
603 1 36 ARG HG3 1 38 TYR QD . . 5.500 5.583 5.534 5.627 0.127 16 0 "[ . 1 . 2]" 1
604 1 37 ALA H 1 37 ALA MB . . 3.040 2.112 2.095 2.126 . 0 0 "[ . 1 . 2]" 1
605 1 37 ALA H 1 38 TYR H . . 4.710 4.576 4.544 4.593 . 0 0 "[ . 1 . 2]" 1
606 1 37 ALA H 1 54 VAL MG1 . . 4.710 4.150 3.965 4.294 . 0 0 "[ . 1 . 2]" 1
607 1 37 ALA HA 1 38 TYR H . . 3.130 2.123 2.096 2.141 . 0 0 "[ . 1 . 2]" 1
608 1 37 ALA HA 1 38 TYR QD . . 5.070 3.910 3.813 3.997 . 0 0 "[ . 1 . 2]" 1
609 1 37 ALA MB 1 38 TYR H . . 3.660 3.039 2.963 3.115 . 0 0 "[ . 1 . 2]" 1
610 1 37 ALA MB 1 38 TYR QD . . 5.140 4.835 4.770 4.886 . 0 0 "[ . 1 . 2]" 1
611 1 37 ALA MB 1 39 TYR QE . . 5.110 4.570 4.438 4.736 . 0 0 "[ . 1 . 2]" 1
612 1 37 ALA MB 1 54 VAL H . . 4.550 3.974 3.902 4.023 . 0 0 "[ . 1 . 2]" 1
613 1 37 ALA MB 1 54 VAL HA . . 5.500 5.061 5.008 5.109 . 0 0 "[ . 1 . 2]" 1
614 1 37 ALA MB 1 54 VAL HB . . 4.030 3.922 3.861 4.002 . 0 0 "[ . 1 . 2]" 1
615 1 37 ALA MB 1 54 VAL MG1 . . 3.220 2.142 2.068 2.201 . 0 0 "[ . 1 . 2]" 1
616 1 37 ALA MB 1 54 VAL MG2 . . 3.690 2.108 2.058 2.206 . 0 0 "[ . 1 . 2]" 1
617 1 38 TYR H 1 38 TYR HB2 . . 3.470 2.576 2.541 2.598 . 0 0 "[ . 1 . 2]" 1
618 1 38 TYR H 1 38 TYR QD . . 3.920 3.399 3.343 3.456 . 0 0 "[ . 1 . 2]" 1
619 1 38 TYR H 1 54 VAL MG1 . . 4.600 3.735 3.592 3.896 . 0 0 "[ . 1 . 2]" 1
620 1 38 TYR HA 1 38 TYR QD . . 3.510 2.706 2.619 2.783 . 0 0 "[ . 1 . 2]" 1
621 1 38 TYR HA 1 39 TYR H . . 3.230 2.184 2.162 2.199 . 0 0 "[ . 1 . 2]" 1
622 1 38 TYR HA 1 51 TYR QB . . 4.770 4.410 4.329 4.526 . 0 0 "[ . 1 . 2]" 1
623 1 38 TYR HA 1 53 PRO HA . . 3.450 3.078 3.025 3.131 . 0 0 "[ . 1 . 2]" 1
624 1 38 TYR HA 1 54 VAL H . . 3.910 3.240 3.117 3.419 . 0 0 "[ . 1 . 2]" 1
625 1 38 TYR HA 1 54 VAL MG1 . . 3.700 2.996 2.835 3.242 . 0 0 "[ . 1 . 2]" 1
626 1 38 TYR HA 1 54 VAL MG2 . . 4.480 4.305 4.258 4.376 . 0 0 "[ . 1 . 2]" 1
627 1 38 TYR HB2 1 39 TYR H . . 4.480 4.354 4.332 4.389 . 0 0 "[ . 1 . 2]" 1
628 1 38 TYR HB2 1 51 TYR HA . . 4.750 4.332 4.096 4.472 . 0 0 "[ . 1 . 2]" 1
629 1 38 TYR HB2 1 51 TYR QB . . 3.620 3.215 3.049 3.360 . 0 0 "[ . 1 . 2]" 1
630 1 38 TYR HB2 1 51 TYR QD . . 3.300 2.620 2.245 2.993 . 0 0 "[ . 1 . 2]" 1
631 1 38 TYR HB2 1 51 TYR QE . . 4.580 3.989 3.370 4.630 0.050 4 0 "[ . 1 . 2]" 1
632 1 38 TYR HB3 1 39 TYR H . . 4.170 3.362 3.327 3.437 . 0 0 "[ . 1 . 2]" 1
633 1 38 TYR HB3 1 51 TYR HA . . 3.910 2.895 2.651 3.028 . 0 0 "[ . 1 . 2]" 1
634 1 38 TYR HB3 1 51 TYR QD . . 3.660 2.660 2.410 2.841 . 0 0 "[ . 1 . 2]" 1
635 1 38 TYR HB3 1 51 TYR QE . . 5.310 4.624 4.347 4.943 . 0 0 "[ . 1 . 2]" 1
636 1 38 TYR HB3 1 52 VAL H . . 4.440 3.461 3.320 3.600 . 0 0 "[ . 1 . 2]" 1
637 1 38 TYR QD 1 39 TYR H . . 4.530 3.841 3.782 3.918 . 0 0 "[ . 1 . 2]" 1
638 1 38 TYR QD 1 51 TYR HA . . 4.440 4.081 3.965 4.224 . 0 0 "[ . 1 . 2]" 1
639 1 38 TYR QD 1 51 TYR QB . . 3.560 2.859 2.759 2.923 . 0 0 "[ . 1 . 2]" 1
640 1 38 TYR QD 1 52 VAL H . . 4.300 3.756 3.672 3.864 . 0 0 "[ . 1 . 2]" 1
641 1 38 TYR QD 1 52 VAL MG1 . . 5.440 4.636 4.587 4.679 . 0 0 "[ . 1 . 2]" 1
642 1 38 TYR QD 1 52 VAL MG2 . . 5.500 4.965 4.914 5.028 . 0 0 "[ . 1 . 2]" 1
643 1 38 TYR QD 1 53 PRO HA . . 3.830 2.654 2.585 2.712 . 0 0 "[ . 1 . 2]" 1
644 1 38 TYR QD 1 53 PRO HB3 . . 4.140 3.760 3.651 3.842 . 0 0 "[ . 1 . 2]" 1
645 1 38 TYR QD 1 53 PRO HD2 . . 4.430 4.359 4.306 4.401 . 0 0 "[ . 1 . 2]" 1
646 1 38 TYR QD 1 53 PRO HD3 . . 4.160 3.252 3.173 3.324 . 0 0 "[ . 1 . 2]" 1
647 1 38 TYR QD 1 53 PRO QG . . 4.810 4.617 4.569 4.665 . 0 0 "[ . 1 . 2]" 1
648 1 38 TYR QD 1 54 VAL H . . 4.620 4.296 4.196 4.369 . 0 0 "[ . 1 . 2]" 1
649 1 38 TYR QD 1 54 VAL MG1 . . 5.440 4.707 4.611 4.833 . 0 0 "[ . 1 . 2]" 1
650 1 38 TYR QD 1 54 VAL MG2 . . 5.150 5.201 5.182 5.221 0.071 5 0 "[ . 1 . 2]" 1
651 1 38 TYR QE 1 51 TYR QB . . 4.530 4.051 3.907 4.205 . 0 0 "[ . 1 . 2]" 1
652 1 38 TYR QE 1 53 PRO HA . . 4.160 3.005 2.851 3.099 . 0 0 "[ . 1 . 2]" 1
653 1 38 TYR QE 1 53 PRO HB3 . . 3.620 2.365 2.243 2.483 . 0 0 "[ . 1 . 2]" 1
654 1 38 TYR QE 1 53 PRO HD2 . . 4.540 4.487 4.398 4.556 0.016 12 0 "[ . 1 . 2]" 1
655 1 38 TYR QE 1 53 PRO HD3 . . 4.150 2.844 2.753 2.941 . 0 0 "[ . 1 . 2]" 1
656 1 38 TYR QE 1 53 PRO QG . . 4.210 3.691 3.618 3.796 . 0 0 "[ . 1 . 2]" 1
657 1 39 TYR H 1 39 TYR HB2 . . 3.610 2.594 2.531 2.638 . 0 0 "[ . 1 . 2]" 1
658 1 39 TYR H 1 39 TYR HB3 . . 3.740 3.629 3.602 3.650 . 0 0 "[ . 1 . 2]" 1
659 1 39 TYR H 1 39 TYR QD . . 3.930 3.186 3.163 3.205 . 0 0 "[ . 1 . 2]" 1
660 1 39 TYR H 1 39 TYR QE . . 4.450 4.493 4.473 4.516 0.066 3 0 "[ . 1 . 2]" 1
661 1 39 TYR H 1 40 GLN H . . 5.090 4.476 4.407 4.526 . 0 0 "[ . 1 . 2]" 1
662 1 39 TYR H 1 41 VAL MG2 . . 5.010 4.992 4.948 5.037 0.027 20 0 "[ . 1 . 2]" 1
663 1 39 TYR H 1 51 TYR HA . . 4.830 4.386 4.230 4.468 . 0 0 "[ . 1 . 2]" 1
664 1 39 TYR H 1 52 VAL H . . 4.080 3.163 3.018 3.321 . 0 0 "[ . 1 . 2]" 1
665 1 39 TYR H 1 52 VAL HB . . 4.280 3.215 3.114 3.379 . 0 0 "[ . 1 . 2]" 1
666 1 39 TYR H 1 52 VAL MG1 . . 4.520 4.028 3.954 4.165 . 0 0 "[ . 1 . 2]" 1
667 1 39 TYR H 1 52 VAL MG2 . . 4.940 4.552 4.456 4.649 . 0 0 "[ . 1 . 2]" 1
668 1 39 TYR H 1 53 PRO HA . . 4.350 4.313 4.247 4.360 0.010 3 0 "[ . 1 . 2]" 1
669 1 39 TYR H 1 54 VAL H . . 5.020 4.280 4.183 4.476 . 0 0 "[ . 1 . 2]" 1
670 1 39 TYR H 1 54 VAL MG1 . . 4.180 3.237 3.137 3.460 . 0 0 "[ . 1 . 2]" 1
671 1 39 TYR H 1 54 VAL MG2 . . 5.500 5.308 5.217 5.434 . 0 0 "[ . 1 . 2]" 1
672 1 39 TYR HA 1 39 TYR QD . . 3.220 2.276 2.229 2.309 . 0 0 "[ . 1 . 2]" 1
673 1 39 TYR HA 1 39 TYR QE . . 4.550 4.542 4.502 4.573 0.023 13 0 "[ . 1 . 2]" 1
674 1 39 TYR HA 1 40 GLN H . . 3.230 2.155 2.127 2.188 . 0 0 "[ . 1 . 2]" 1
675 1 39 TYR HA 1 41 VAL MG2 . . 4.990 4.863 4.810 4.955 . 0 0 "[ . 1 . 2]" 1
676 1 39 TYR HB2 1 40 GLN H . . 4.470 4.285 4.222 4.359 . 0 0 "[ . 1 . 2]" 1
677 1 39 TYR HB2 1 41 VAL MG2 . . 3.460 3.249 3.207 3.376 . 0 0 "[ . 1 . 2]" 1
678 1 39 TYR HB2 1 52 VAL HB . . 2.600 2.131 2.098 2.168 . 0 0 "[ . 1 . 2]" 1
679 1 39 TYR HB2 1 52 VAL MG1 . . 5.500 3.592 3.538 3.646 . 0 0 "[ . 1 . 2]" 1
680 1 39 TYR HB2 1 52 VAL MG2 . . 4.800 3.282 3.204 3.444 . 0 0 "[ . 1 . 2]" 1
681 1 39 TYR HB3 1 40 GLN H . . 4.580 3.580 3.479 3.694 . 0 0 "[ . 1 . 2]" 1
682 1 39 TYR HB3 1 41 VAL MG2 . . 3.830 3.500 3.412 3.728 . 0 0 "[ . 1 . 2]" 1
683 1 39 TYR HB3 1 52 VAL HB . . 3.900 3.818 3.771 3.857 . 0 0 "[ . 1 . 2]" 1
684 1 39 TYR HB3 1 52 VAL MG1 . . 4.850 4.853 4.803 4.877 0.027 7 0 "[ . 1 . 2]" 1
685 1 39 TYR HB3 1 52 VAL MG2 . . 4.560 4.435 4.323 4.566 0.006 4 0 "[ . 1 . 2]" 1
686 1 39 TYR QD 1 40 GLN H . . 4.250 4.162 4.102 4.208 . 0 0 "[ . 1 . 2]" 1
687 1 39 TYR QD 1 52 VAL H . . 4.850 4.471 4.409 4.512 . 0 0 "[ . 1 . 2]" 1
688 1 39 TYR QD 1 52 VAL HB . . 2.940 2.405 2.361 2.440 . 0 0 "[ . 1 . 2]" 1
689 1 39 TYR QD 1 52 VAL MG1 . . 3.700 2.493 2.400 2.605 . 0 0 "[ . 1 . 2]" 1
690 1 39 TYR QD 1 52 VAL MG2 . . 3.910 3.751 3.698 3.853 . 0 0 "[ . 1 . 2]" 1
691 1 39 TYR QD 1 54 VAL HA . . 4.530 4.141 4.048 4.258 . 0 0 "[ . 1 . 2]" 1
692 1 39 TYR QD 1 54 VAL MG1 . . 4.380 3.289 3.225 3.386 . 0 0 "[ . 1 . 2]" 1
693 1 39 TYR QD 1 57 PRO HA . . 4.820 4.695 4.572 4.796 . 0 0 "[ . 1 . 2]" 1
694 1 39 TYR QD 1 57 PRO QG . . 5.320 4.685 4.493 4.823 . 0 0 "[ . 1 . 2]" 1
695 1 39 TYR QD 1 62 LEU QD . . 3.950 3.153 3.060 3.302 . 0 0 "[ . 1 . 2]" 1
696 1 39 TYR QE 1 52 VAL HB . . 4.560 4.611 4.576 4.634 0.074 10 0 "[ . 1 . 2]" 1
697 1 39 TYR QE 1 52 VAL MG1 . . 5.270 3.478 3.356 3.627 . 0 0 "[ . 1 . 2]" 1
698 1 39 TYR QE 1 54 VAL H . . 5.010 4.911 4.860 4.988 . 0 0 "[ . 1 . 2]" 1
699 1 39 TYR QE 1 54 VAL HA . . 3.230 2.739 2.631 2.866 . 0 0 "[ . 1 . 2]" 1
700 1 39 TYR QE 1 54 VAL HB . . 4.360 3.927 3.837 4.052 . 0 0 "[ . 1 . 2]" 1
701 1 39 TYR QE 1 54 VAL MG1 . . 3.960 2.619 2.532 2.661 . 0 0 "[ . 1 . 2]" 1
702 1 39 TYR QE 1 54 VAL MG2 . . 4.590 4.637 4.601 4.674 0.084 4 0 "[ . 1 . 2]" 1
703 1 39 TYR QE 1 57 PRO HA . . 4.690 4.591 4.393 4.672 . 0 0 "[ . 1 . 2]" 1
704 1 39 TYR QE 1 57 PRO HB2 . . 3.830 3.409 3.228 3.538 . 0 0 "[ . 1 . 2]" 1
705 1 39 TYR QE 1 57 PRO HB3 . . 4.950 2.381 2.226 2.444 . 0 0 "[ . 1 . 2]" 1
706 1 39 TYR QE 1 57 PRO QD . . 4.310 3.948 3.856 4.072 . 0 0 "[ . 1 . 2]" 1
707 1 39 TYR QE 1 57 PRO QG . . 4.210 2.902 2.728 3.038 . 0 0 "[ . 1 . 2]" 1
708 1 39 TYR QE 1 62 LEU QD . . 4.840 4.173 4.075 4.356 . 0 0 "[ . 1 . 2]" 1
709 1 40 GLN H 1 40 GLN HB2 . . 3.910 2.577 2.410 2.744 . 0 0 "[ . 1 . 2]" 1
710 1 40 GLN H 1 40 GLN QB . . 3.260 2.289 2.201 2.506 . 0 0 "[ . 1 . 2]" 1
711 1 40 GLN H 1 40 GLN HB3 . . 3.910 2.733 2.337 3.630 . 0 0 "[ . 1 . 2]" 1
712 1 40 GLN H 1 41 VAL MG2 . . 4.780 4.702 4.622 4.805 0.025 20 0 "[ . 1 . 2]" 1
713 1 40 GLN HA 1 40 GLN HG2 . . 4.190 2.980 2.388 3.403 . 0 0 "[ . 1 . 2]" 1
714 1 40 GLN HA 1 40 GLN QG . . 3.320 2.484 2.356 2.619 . 0 0 "[ . 1 . 2]" 1
715 1 40 GLN HA 1 40 GLN HG3 . . 4.190 2.804 2.450 3.615 . 0 0 "[ . 1 . 2]" 1
716 1 40 GLN HA 1 41 VAL H . . 3.190 2.255 2.204 2.284 . 0 0 "[ . 1 . 2]" 1
717 1 40 GLN HA 1 51 TYR HA . . 3.670 3.205 3.054 3.424 . 0 0 "[ . 1 . 2]" 1
718 1 40 GLN HA 1 51 TYR QD . . 3.880 3.304 3.074 3.509 . 0 0 "[ . 1 . 2]" 1
719 1 40 GLN HA 1 51 TYR QE . . 4.250 3.796 3.494 4.190 . 0 0 "[ . 1 . 2]" 1
720 1 40 GLN QB 1 51 TYR QE . . 3.510 3.435 3.092 3.739 0.229 2 0 "[ . 1 . 2]" 1
721 1 40 GLN HB2 1 41 VAL H . . 5.500 4.541 4.454 4.622 . 0 0 "[ . 1 . 2]" 1
722 1 40 GLN HB3 1 41 VAL H . . 5.500 4.380 3.915 4.583 . 0 0 "[ . 1 . 2]" 1
723 1 40 GLN HE21 1 40 GLN QG . . 2.810 2.430 2.226 2.703 . 0 0 "[ . 1 . 2]" 1
724 1 40 GLN HE21 1 49 LYS QD . . 4.710 3.945 2.425 4.680 . 0 0 "[ . 1 . 2]" 1
725 1 40 GLN HE22 1 49 LYS QE . . 5.390 4.676 3.190 5.259 . 0 0 "[ . 1 . 2]" 1
726 1 40 GLN QG 1 51 TYR QD . . 4.260 4.049 3.727 4.333 0.073 10 0 "[ . 1 . 2]" 1
727 1 40 GLN QG 1 51 TYR QE . . 3.620 3.115 2.572 3.592 . 0 0 "[ . 1 . 2]" 1
728 1 40 GLN HG2 1 41 VAL H . . 5.500 4.156 3.392 5.200 . 0 0 "[ . 1 . 2]" 1
729 1 40 GLN HG3 1 41 VAL H . . 5.500 4.392 3.629 5.412 . 0 0 "[ . 1 . 2]" 1
730 1 41 VAL H 1 41 VAL HB . . 3.650 2.701 2.643 2.770 . 0 0 "[ . 1 . 2]" 1
731 1 41 VAL H 1 41 VAL MG1 . . 4.310 3.866 3.850 3.884 . 0 0 "[ . 1 . 2]" 1
732 1 41 VAL H 1 41 VAL MG2 . . 3.660 2.232 2.208 2.274 . 0 0 "[ . 1 . 2]" 1
733 1 41 VAL H 1 42 ASP H . . 5.270 4.480 4.344 4.668 . 0 0 "[ . 1 . 2]" 1
734 1 41 VAL H 1 49 LYS HA . . 5.380 4.386 4.260 4.466 . 0 0 "[ . 1 . 2]" 1
735 1 41 VAL H 1 50 ALA H . . 4.080 2.898 2.766 3.096 . 0 0 "[ . 1 . 2]" 1
736 1 41 VAL H 1 50 ALA MB . . 4.290 3.660 3.479 4.024 . 0 0 "[ . 1 . 2]" 1
737 1 41 VAL H 1 51 TYR HA . . 4.350 3.672 3.576 3.803 . 0 0 "[ . 1 . 2]" 1
738 1 41 VAL HA 1 41 VAL MG1 . . 3.320 2.268 2.233 2.306 . 0 0 "[ . 1 . 2]" 1
739 1 41 VAL HA 1 41 VAL MG2 . . 3.360 2.521 2.442 2.541 . 0 0 "[ . 1 . 2]" 1
740 1 41 VAL HA 1 42 ASP H . . 3.110 2.193 2.119 2.301 . 0 0 "[ . 1 . 2]" 1
741 1 41 VAL HA 1 43 PHE QE . . 5.500 5.281 5.214 5.381 . 0 0 "[ . 1 . 2]" 1
742 1 41 VAL HA 1 43 PHE HZ . . 5.500 5.518 5.501 5.571 0.071 20 0 "[ . 1 . 2]" 1
743 1 41 VAL HB 1 43 PHE HZ . . 3.210 2.786 2.742 2.889 . 0 0 "[ . 1 . 2]" 1
744 1 41 VAL HB 1 50 ALA H . . 5.210 2.692 2.271 2.931 . 0 0 "[ . 1 . 2]" 1
745 1 41 VAL HB 1 50 ALA MB . . 2.790 2.301 2.145 2.637 . 0 0 "[ . 1 . 2]" 1
746 1 41 VAL MG1 1 42 ASP H . . 3.610 2.757 2.245 3.105 . 0 0 "[ . 1 . 2]" 1
747 1 41 VAL MG1 1 43 PHE HA . . 5.230 4.384 4.075 4.497 . 0 0 "[ . 1 . 2]" 1
748 1 41 VAL MG1 1 43 PHE QD . . 4.320 3.399 3.362 3.445 . 0 0 "[ . 1 . 2]" 1
749 1 41 VAL MG1 1 43 PHE QE . . 3.550 2.424 2.366 2.570 . 0 0 "[ . 1 . 2]" 1
750 1 41 VAL MG1 1 43 PHE HZ . . 3.930 2.955 2.692 3.134 . 0 0 "[ . 1 . 2]" 1
751 1 41 VAL MG1 1 50 ALA H . . 4.770 4.095 3.855 4.244 . 0 0 "[ . 1 . 2]" 1
752 1 41 VAL MG1 1 50 ALA MB . . 4.190 3.449 3.204 3.554 . 0 0 "[ . 1 . 2]" 1
753 1 41 VAL MG1 1 52 VAL MG2 . . 4.740 3.932 3.809 4.061 . 0 0 "[ . 1 . 2]" 1
754 1 41 VAL MG1 1 62 LEU QD . . 4.330 3.252 2.768 3.939 . 0 0 "[ . 1 . 2]" 1
755 1 41 VAL MG2 1 42 ASP H . . 4.370 4.214 4.036 4.316 . 0 0 "[ . 1 . 2]" 1
756 1 41 VAL MG2 1 43 PHE QD . . 5.500 5.543 5.453 5.595 0.095 18 0 "[ . 1 . 2]" 1
757 1 41 VAL MG2 1 43 PHE QE . . 4.370 4.118 3.992 4.233 . 0 0 "[ . 1 . 2]" 1
758 1 41 VAL MG2 1 43 PHE HZ . . 4.570 3.841 3.552 4.005 . 0 0 "[ . 1 . 2]" 1
759 1 41 VAL MG2 1 50 ALA H . . 4.370 3.819 3.510 3.962 . 0 0 "[ . 1 . 2]" 1
760 1 41 VAL MG2 1 50 ALA MB . . 4.080 2.898 2.426 3.050 . 0 0 "[ . 1 . 2]" 1
761 1 41 VAL MG2 1 51 TYR HA . . 3.910 4.018 3.938 4.045 0.135 3 0 "[ . 1 . 2]" 1
762 1 41 VAL MG2 1 52 VAL H . . 4.390 3.232 3.118 3.329 . 0 0 "[ . 1 . 2]" 1
763 1 41 VAL MG2 1 52 VAL HA . . 5.500 4.786 4.640 4.909 . 0 0 "[ . 1 . 2]" 1
764 1 41 VAL MG2 1 52 VAL HB . . 3.660 3.411 3.338 3.510 . 0 0 "[ . 1 . 2]" 1
765 1 41 VAL MG2 1 52 VAL MG1 . . 5.500 4.035 3.904 4.165 . 0 0 "[ . 1 . 2]" 1
766 1 41 VAL MG2 1 52 VAL MG2 . . 3.610 2.068 1.974 2.194 . 0 0 "[ . 1 . 2]" 1
767 1 41 VAL MG2 1 62 LEU MD1 . . 5.500 2.662 2.276 3.101 . 0 0 "[ . 1 . 2]" 1
768 1 41 VAL MG2 1 62 LEU QD . . 4.170 2.541 2.185 3.024 . 0 0 "[ . 1 . 2]" 1
769 1 41 VAL MG2 1 62 LEU MD2 . . 5.500 3.296 2.752 4.263 . 0 0 "[ . 1 . 2]" 1
770 1 42 ASP H 1 42 ASP HB2 . . 3.590 2.816 2.481 3.175 . 0 0 "[ . 1 . 2]" 1
771 1 42 ASP H 1 42 ASP QB . . 3.150 2.421 2.277 2.626 . 0 0 "[ . 1 . 2]" 1
772 1 42 ASP H 1 42 ASP HB3 . . 3.590 2.711 2.352 3.361 . 0 0 "[ . 1 . 2]" 1
773 1 42 ASP HA 1 43 PHE QD . . 3.620 3.665 3.636 3.697 0.077 15 0 "[ . 1 . 2]" 1
774 1 42 ASP HA 1 49 LYS HA . . 3.710 3.030 2.752 3.721 0.011 20 0 "[ . 1 . 2]" 1
775 1 43 PHE H 1 43 PHE HB2 . . 3.920 2.785 2.606 2.903 . 0 0 "[ . 1 . 2]" 1
776 1 43 PHE H 1 43 PHE HB3 . . 4.120 3.788 3.633 3.867 . 0 0 "[ . 1 . 2]" 1
777 1 43 PHE H 1 43 PHE QD . . 3.700 2.638 2.171 2.881 . 0 0 "[ . 1 . 2]" 1
778 1 43 PHE H 1 43 PHE QE . . 4.560 4.355 3.951 4.567 0.007 8 0 "[ . 1 . 2]" 1
779 1 43 PHE HA 1 43 PHE QD . . 3.560 2.926 2.862 3.001 . 0 0 "[ . 1 . 2]" 1
780 1 43 PHE HA 1 43 PHE QE . . 5.500 4.799 4.747 4.864 . 0 0 "[ . 1 . 2]" 1
781 1 43 PHE HA 1 44 PRO HD2 . . 3.620 2.365 2.332 2.406 . 0 0 "[ . 1 . 2]" 1
782 1 43 PHE HA 1 44 PRO HD3 . . 3.620 2.458 2.436 2.483 . 0 0 "[ . 1 . 2]" 1
783 1 43 PHE HA 1 44 PRO QG . . 4.380 4.080 4.062 4.108 . 0 0 "[ . 1 . 2]" 1
784 1 43 PHE HB2 1 44 PRO HD2 . . 4.840 3.753 3.699 3.793 . 0 0 "[ . 1 . 2]" 1
785 1 43 PHE HB2 1 44 PRO QD . . 4.250 3.624 3.576 3.661 . 0 0 "[ . 1 . 2]" 1
786 1 43 PHE HB2 1 44 PRO HD3 . . 4.840 4.787 4.745 4.822 . 0 0 "[ . 1 . 2]" 1
787 1 43 PHE HB2 1 48 SER QB . . 4.320 3.512 3.257 4.182 . 0 0 "[ . 1 . 2]" 1
788 1 43 PHE HB3 1 44 PRO HD2 . . 4.030 2.439 2.338 2.489 . 0 0 "[ . 1 . 2]" 1
789 1 43 PHE HB3 1 44 PRO HD3 . . 4.030 3.826 3.754 3.874 . 0 0 "[ . 1 . 2]" 1
790 1 43 PHE HB3 1 48 SER QB . . 5.500 4.961 4.755 5.390 . 0 0 "[ . 1 . 2]" 1
791 1 43 PHE QD 1 44 PRO QD . . 4.680 3.569 3.443 3.671 . 0 0 "[ . 1 . 2]" 1
792 1 43 PHE QD 1 48 SER QB . . 4.110 2.467 2.326 2.892 . 0 0 "[ . 1 . 2]" 1
793 1 43 PHE QD 1 49 LYS HA . . 3.810 3.748 3.590 3.819 0.009 3 0 "[ . 1 . 2]" 1
794 1 43 PHE QD 1 50 ALA H . . 4.860 4.769 4.648 4.893 0.033 5 0 "[ . 1 . 2]" 1
795 1 43 PHE QD 1 50 ALA MB . . 5.490 4.525 4.403 4.764 . 0 0 "[ . 1 . 2]" 1
796 1 43 PHE QE 1 48 SER QB . . 5.060 3.198 3.022 3.427 . 0 0 "[ . 1 . 2]" 1
797 1 43 PHE QE 1 49 LYS H . . 4.770 4.150 3.878 4.319 . 0 0 "[ . 1 . 2]" 1
798 1 43 PHE QE 1 49 LYS HA . . 4.290 2.954 2.414 3.210 . 0 0 "[ . 1 . 2]" 1
799 1 43 PHE QE 1 50 ALA H . . 3.680 2.995 2.872 3.084 . 0 0 "[ . 1 . 2]" 1
800 1 43 PHE QE 1 50 ALA HA . . 4.650 4.288 4.152 4.585 . 0 0 "[ . 1 . 2]" 1
801 1 43 PHE HZ 1 50 ALA HA . . 5.190 4.731 4.628 4.830 . 0 0 "[ . 1 . 2]" 1
802 1 43 PHE HZ 1 50 ALA MB . . 3.080 2.111 2.021 2.251 . 0 0 "[ . 1 . 2]" 1
803 1 47 ARG HA 1 47 ARG HB2 . . 3.020 2.892 2.363 3.048 0.028 20 0 "[ . 1 . 2]" 1
804 1 47 ARG HA 1 47 ARG HB3 . . 3.020 2.669 2.359 3.011 . 0 0 "[ . 1 . 2]" 1
805 1 47 ARG HA 1 47 ARG QD . . 4.380 3.684 2.148 4.157 . 0 0 "[ . 1 . 2]" 1
806 1 47 ARG HA 1 47 ARG QG . . 3.420 2.433 2.152 3.466 0.046 9 0 "[ . 1 . 2]" 1
807 1 47 ARG QB 1 47 ARG QD . . 2.910 2.189 2.052 2.356 . 0 0 "[ . 1 . 2]" 1
808 1 47 ARG QG 1 48 SER H . . 5.480 4.454 3.229 4.872 . 0 0 "[ . 1 . 2]" 1
809 1 48 SER H 1 48 SER QB . . 3.820 2.339 2.114 2.557 . 0 0 "[ . 1 . 2]" 1
810 1 48 SER H 1 49 LYS H . . 4.770 4.595 4.538 4.632 . 0 0 "[ . 1 . 2]" 1
811 1 48 SER HA 1 49 LYS H . . 2.600 2.134 2.072 2.199 . 0 0 "[ . 1 . 2]" 1
812 1 48 SER QB 1 49 LYS H . . 3.680 3.041 2.752 3.276 . 0 0 "[ . 1 . 2]" 1
813 1 49 LYS H 1 49 LYS QB . . 3.390 2.896 2.513 3.263 . 0 0 "[ . 1 . 2]" 1
814 1 49 LYS H 1 49 LYS HG2 . . 5.500 3.335 2.323 4.720 . 0 0 "[ . 1 . 2]" 1
815 1 49 LYS H 1 49 LYS HG3 . . 5.500 3.152 2.833 3.680 . 0 0 "[ . 1 . 2]" 1
816 1 49 LYS HA 1 49 LYS QG . . 3.740 2.793 2.257 3.405 . 0 0 "[ . 1 . 2]" 1
817 1 49 LYS HA 1 50 ALA H . . 3.240 2.154 2.108 2.199 . 0 0 "[ . 1 . 2]" 1
818 1 49 LYS QB 1 50 ALA H . . 3.320 2.911 2.790 3.038 . 0 0 "[ . 1 . 2]" 1
819 1 49 LYS QB 1 51 TYR QE . . 5.210 3.478 2.646 4.519 . 0 0 "[ . 1 . 2]" 1
820 1 49 LYS QD 1 51 TYR QE . . 5.130 3.503 2.136 4.991 . 0 0 "[ . 1 . 2]" 1
821 1 49 LYS QE 1 49 LYS QG . . 2.600 2.339 2.195 2.475 . 0 0 "[ . 1 . 2]" 1
822 1 49 LYS QE 1 51 TYR QE . . 4.300 3.623 2.044 4.259 . 0 0 "[ . 1 . 2]" 1
823 1 49 LYS QG 1 50 ALA H . . 4.840 4.083 3.753 4.313 . 0 0 "[ . 1 . 2]" 1
824 1 50 ALA HA 1 51 TYR H . . 3.230 2.176 2.156 2.232 . 0 0 "[ . 1 . 2]" 1
825 1 50 ALA HA 1 51 TYR QE . . 5.500 5.546 5.485 5.584 0.084 16 0 "[ . 1 . 2]" 1
826 1 50 ALA MB 1 51 TYR H . . 3.490 3.159 2.956 3.340 . 0 0 "[ . 1 . 2]" 1
827 1 50 ALA MB 1 51 TYR HA . . 4.820 4.400 4.198 4.467 . 0 0 "[ . 1 . 2]" 1
828 1 51 TYR H 1 51 TYR QB . . 3.540 2.280 2.220 2.370 . 0 0 "[ . 1 . 2]" 1
829 1 51 TYR H 1 51 TYR QD . . 3.820 2.954 2.824 3.218 . 0 0 "[ . 1 . 2]" 1
830 1 51 TYR H 1 51 TYR QE . . 5.500 5.006 4.637 5.473 . 0 0 "[ . 1 . 2]" 1
831 1 51 TYR H 1 52 VAL H . . 4.960 4.234 4.014 4.367 . 0 0 "[ . 1 . 2]" 1
832 1 51 TYR H 1 52 VAL MG2 . . 4.690 4.394 4.067 4.597 . 0 0 "[ . 1 . 2]" 1
833 1 51 TYR HA 1 51 TYR QD . . 3.660 2.652 2.425 2.860 . 0 0 "[ . 1 . 2]" 1
834 1 51 TYR HA 1 51 TYR QE . . 4.850 4.518 4.421 4.618 . 0 0 "[ . 1 . 2]" 1
835 1 51 TYR HA 1 52 VAL H . . 3.250 2.165 2.132 2.199 . 0 0 "[ . 1 . 2]" 1
836 1 51 TYR HA 1 52 VAL MG2 . . 4.370 3.930 3.830 4.036 . 0 0 "[ . 1 . 2]" 1
837 1 51 TYR QB 1 52 VAL H . . 4.020 3.710 3.585 3.773 . 0 0 "[ . 1 . 2]" 1
838 1 51 TYR QD 1 52 VAL H . . 4.620 4.429 4.123 4.628 0.008 3 0 "[ . 1 . 2]" 1
839 1 52 VAL H 1 52 VAL HB . . 3.680 2.503 2.455 2.579 . 0 0 "[ . 1 . 2]" 1
840 1 52 VAL H 1 52 VAL MG2 . . 3.620 2.542 2.430 2.708 . 0 0 "[ . 1 . 2]" 1
841 1 52 VAL HA 1 52 VAL MG1 . . 3.540 2.450 2.409 2.476 . 0 0 "[ . 1 . 2]" 1
842 1 52 VAL HA 1 52 VAL MG2 . . 3.440 2.359 2.232 2.447 . 0 0 "[ . 1 . 2]" 1
843 1 52 VAL HA 1 53 PRO HB3 . . 5.010 4.994 4.935 5.017 0.007 19 0 "[ . 1 . 2]" 1
844 1 52 VAL HA 1 53 PRO HD2 . . 3.520 2.163 2.122 2.189 . 0 0 "[ . 1 . 2]" 1
845 1 52 VAL HA 1 53 PRO HD3 . . 3.570 2.511 2.483 2.532 . 0 0 "[ . 1 . 2]" 1
846 1 52 VAL HA 1 53 PRO QG . . 4.630 3.963 3.925 3.987 . 0 0 "[ . 1 . 2]" 1
847 1 52 VAL HA 1 60 VAL MG1 . . 4.420 3.369 3.114 3.596 . 0 0 "[ . 1 . 2]" 1
848 1 52 VAL HA 1 60 VAL QG . . 3.870 3.134 2.892 3.276 . 0 0 "[ . 1 . 2]" 1
849 1 52 VAL HA 1 60 VAL MG2 . . 4.420 3.799 3.275 4.114 . 0 0 "[ . 1 . 2]" 1
850 1 52 VAL HB 1 62 LEU QD . . 3.910 2.991 2.908 3.142 . 0 0 "[ . 1 . 2]" 1
851 1 52 VAL MG1 1 53 PRO HD2 . . 4.070 2.211 2.149 2.255 . 0 0 "[ . 1 . 2]" 1
852 1 52 VAL MG1 1 53 PRO HD3 . . 3.620 3.601 3.547 3.630 0.010 20 0 "[ . 1 . 2]" 1
853 1 52 VAL MG1 1 54 VAL H . . 5.500 4.695 4.573 4.878 . 0 0 "[ . 1 . 2]" 1
854 1 52 VAL MG1 1 54 VAL HA . . 5.500 4.136 4.035 4.317 . 0 0 "[ . 1 . 2]" 1
855 1 52 VAL MG1 1 57 PRO HA . . 3.340 2.190 2.137 2.287 . 0 0 "[ . 1 . 2]" 1
856 1 52 VAL MG1 1 57 PRO HB2 . . 3.650 2.812 2.628 3.010 . 0 0 "[ . 1 . 2]" 1
857 1 52 VAL MG1 1 57 PRO QG . . 4.700 4.007 3.867 4.164 . 0 0 "[ . 1 . 2]" 1
858 1 52 VAL MG1 1 60 VAL QG . . 5.440 2.086 2.022 2.162 . 0 0 "[ . 1 . 2]" 1
859 1 52 VAL MG1 1 62 LEU QD . . 3.470 1.975 1.904 2.042 . 0 0 "[ . 1 . 2]" 1
860 1 52 VAL MG2 1 53 PRO HD2 . . 3.740 3.649 3.553 3.711 . 0 0 "[ . 1 . 2]" 1
861 1 52 VAL MG2 1 53 PRO HD3 . . 4.760 4.423 4.286 4.492 . 0 0 "[ . 1 . 2]" 1
862 1 52 VAL MG2 1 62 LEU QB . . 3.840 2.711 2.386 3.074 . 0 0 "[ . 1 . 2]" 1
863 1 52 VAL MG2 1 62 LEU QD . . 3.360 1.972 1.889 2.018 . 0 0 "[ . 1 . 2]" 1
864 1 53 PRO HA 1 54 VAL H . . 3.300 2.172 2.154 2.184 . 0 0 "[ . 1 . 2]" 1
865 1 53 PRO HA 1 55 GLU H . . 5.080 3.791 3.700 3.882 . 0 0 "[ . 1 . 2]" 1
866 1 53 PRO HB2 1 55 GLU H . . 4.600 2.885 2.792 3.105 . 0 0 "[ . 1 . 2]" 1
867 1 53 PRO HB2 1 56 ALA H . . 3.970 2.552 2.463 2.693 . 0 0 "[ . 1 . 2]" 1
868 1 53 PRO HB3 1 54 VAL H . . 4.050 4.048 3.980 4.085 0.035 12 0 "[ . 1 . 2]" 1
869 1 53 PRO HD2 1 60 VAL MG1 . . 4.030 2.559 2.297 2.757 . 0 0 "[ . 1 . 2]" 1
870 1 53 PRO HD2 1 60 VAL QG . . 3.460 2.486 2.191 2.699 . 0 0 "[ . 1 . 2]" 1
871 1 53 PRO HD2 1 60 VAL MG2 . . 4.030 3.484 2.628 4.011 . 0 0 "[ . 1 . 2]" 1
872 1 53 PRO HD3 1 60 VAL QG . . 3.630 3.421 2.829 3.758 0.128 6 0 "[ . 1 . 2]" 1
873 1 53 PRO QG 1 56 ALA H . . 4.200 3.128 3.034 3.232 . 0 0 "[ . 1 . 2]" 1
874 1 53 PRO QG 1 56 ALA MB . . 4.240 3.277 3.170 3.355 . 0 0 "[ . 1 . 2]" 1
875 1 54 VAL H 1 54 VAL HB . . 3.670 3.666 3.653 3.683 0.013 12 0 "[ . 1 . 2]" 1
876 1 54 VAL H 1 54 VAL MG1 . . 3.470 2.310 2.231 2.442 . 0 0 "[ . 1 . 2]" 1
877 1 54 VAL H 1 54 VAL MG2 . . 3.860 2.160 2.060 2.264 . 0 0 "[ . 1 . 2]" 1
878 1 54 VAL H 1 55 GLU H . . 4.090 2.736 2.653 2.776 . 0 0 "[ . 1 . 2]" 1
879 1 54 VAL HA 1 54 VAL MG1 . . 3.380 2.309 2.260 2.335 . 0 0 "[ . 1 . 2]" 1
880 1 54 VAL HA 1 54 VAL MG2 . . 3.390 3.261 3.251 3.269 . 0 0 "[ . 1 . 2]" 1
881 1 54 VAL HA 1 57 PRO HB2 . . 5.500 5.027 4.942 5.114 . 0 0 "[ . 1 . 2]" 1
882 1 54 VAL HB 1 55 GLU H . . 4.110 4.020 3.959 4.055 . 0 0 "[ . 1 . 2]" 1
883 1 54 VAL MG1 1 55 GLU H . . 4.240 4.095 4.022 4.151 . 0 0 "[ . 1 . 2]" 1
884 1 54 VAL MG1 1 57 PRO HB3 . . 4.850 4.683 4.608 4.774 . 0 0 "[ . 1 . 2]" 1
885 1 54 VAL MG2 1 55 GLU H . . 3.470 2.541 2.474 2.588 . 0 0 "[ . 1 . 2]" 1
886 1 55 GLU H 1 55 GLU QB . . 3.310 2.518 2.359 2.609 . 0 0 "[ . 1 . 2]" 1
887 1 55 GLU H 1 55 GLU QG . . 3.500 2.196 2.000 2.441 . 0 0 "[ . 1 . 2]" 1
888 1 55 GLU H 1 56 ALA H . . 4.190 2.649 2.623 2.681 . 0 0 "[ . 1 . 2]" 1
889 1 55 GLU HA 1 55 GLU QG . . 3.380 2.780 2.377 3.386 0.006 1 0 "[ . 1 . 2]" 1
890 1 55 GLU QB 1 56 ALA H . . 3.930 2.748 2.341 3.510 . 0 0 "[ . 1 . 2]" 1
891 1 55 GLU QG 1 56 ALA H . . 3.870 3.397 2.131 3.954 0.084 13 0 "[ . 1 . 2]" 1
892 1 55 GLU QG 1 57 PRO QD . . 5.350 4.988 4.401 5.368 0.018 20 0 "[ . 1 . 2]" 1
893 1 56 ALA H 1 57 PRO QD . . 3.850 2.951 2.886 3.016 . 0 0 "[ . 1 . 2]" 1
894 1 56 ALA HA 1 57 PRO HD2 . . 3.100 2.283 2.251 2.341 . 0 0 "[ . 1 . 2]" 1
895 1 56 ALA HA 1 57 PRO HD3 . . 3.100 3.081 3.048 3.110 0.010 7 0 "[ . 1 . 2]" 1
896 1 56 ALA HA 1 58 HIS HE1 . . 4.510 4.019 3.362 4.562 0.052 4 0 "[ . 1 . 2]" 1
897 1 56 ALA MB 1 58 HIS HD2 . . 5.500 5.055 4.393 5.418 . 0 0 "[ . 1 . 2]" 1
898 1 56 ALA MB 1 58 HIS HE1 . . 4.060 3.829 3.283 4.086 0.026 12 0 "[ . 1 . 2]" 1
899 1 56 ALA MB 1 59 SER QB . . 3.840 2.092 1.960 2.575 . 0 0 "[ . 1 . 2]" 1
900 1 57 PRO HA 1 60 VAL QG . . 4.220 3.083 2.875 3.312 . 0 0 "[ . 1 . 2]" 1
901 1 57 PRO HA 1 62 LEU QD . . 4.630 4.087 3.883 4.231 . 0 0 "[ . 1 . 2]" 1
902 1 57 PRO HB2 1 62 LEU QD . . 4.180 2.845 2.730 3.045 . 0 0 "[ . 1 . 2]" 1
903 1 58 HIS HA 1 58 HIS HD2 . . 4.930 4.476 4.327 4.610 . 0 0 "[ . 1 . 2]" 1
904 1 58 HIS HA 1 62 LEU QD . . 5.190 4.768 4.490 5.167 . 0 0 "[ . 1 . 2]" 1
905 1 60 VAL H 1 60 VAL HA . . 2.940 2.908 2.893 2.926 . 0 0 "[ . 1 . 2]" 1
906 1 60 VAL H 1 60 VAL MG1 . . 3.830 2.298 2.078 2.432 . 0 0 "[ . 1 . 2]" 1
907 1 60 VAL H 1 60 VAL QG . . 3.260 2.202 1.954 2.372 . 0 0 "[ . 1 . 2]" 1
908 1 60 VAL H 1 60 VAL MG2 . . 3.830 3.279 2.173 3.841 0.011 17 0 "[ . 1 . 2]" 1
909 1 60 VAL H 1 61 GLY H . . 4.050 2.672 2.596 2.721 . 0 0 "[ . 1 . 2]" 1
910 1 60 VAL QG 1 61 GLY H . . 4.180 2.700 2.609 2.886 . 0 0 "[ . 1 . 2]" 1
911 1 60 VAL QG 1 62 LEU H . . 2.820 1.941 1.774 2.146 . 0 0 "[ . 1 . 2]" 1
912 1 60 VAL QG 1 62 LEU HA . . 3.780 3.853 3.739 3.944 0.164 4 0 "[ . 1 . 2]" 1
913 1 60 VAL QG 1 62 LEU QB . . 5.280 2.263 2.136 2.383 . 0 0 "[ . 1 . 2]" 1
914 1 61 GLY H 1 61 GLY QA . . 2.560 2.266 2.241 2.280 . 0 0 "[ . 1 . 2]" 1
915 1 61 GLY H 1 62 LEU H . . 4.940 2.468 2.353 2.566 . 0 0 "[ . 1 . 2]" 1
916 1 62 LEU H 1 62 LEU HB2 . . 3.730 2.512 2.271 2.650 . 0 0 "[ . 1 . 2]" 1
917 1 62 LEU H 1 62 LEU QB . . 3.240 2.271 2.181 2.320 . 0 0 "[ . 1 . 2]" 1
918 1 62 LEU H 1 62 LEU HB3 . . 3.730 2.649 2.475 2.866 . 0 0 "[ . 1 . 2]" 1
919 1 62 LEU H 1 62 LEU QD . . 4.280 3.804 3.757 3.848 . 0 0 "[ . 1 . 2]" 1
920 1 62 LEU HA 1 62 LEU MD1 . . 4.360 2.803 2.144 3.867 . 0 0 "[ . 1 . 2]" 1
921 1 62 LEU HA 1 62 LEU QD . . 3.280 2.330 2.134 2.516 . 0 0 "[ . 1 . 2]" 1
922 1 62 LEU HA 1 62 LEU MD2 . . 4.360 3.430 2.275 3.946 . 0 0 "[ . 1 . 2]" 1
923 1 62 LEU HA 1 63 ARG H . . 3.550 2.138 2.101 2.187 . 0 0 "[ . 1 . 2]" 1
924 1 62 LEU QB 1 62 LEU QD . . 2.730 1.941 1.879 1.991 . 0 0 "[ . 1 . 2]" 1
925 1 62 LEU QD 1 63 ARG H . . 3.720 2.837 2.036 3.280 . 0 0 "[ . 1 . 2]" 1
926 1 62 LEU MD1 1 63 ARG H . . 4.970 3.645 2.936 4.641 . 0 0 "[ . 1 . 2]" 1
927 1 62 LEU MD2 1 63 ARG H . . 4.970 3.689 2.038 4.497 . 0 0 "[ . 1 . 2]" 1
928 1 62 LEU HG 1 63 ARG H . . 4.170 3.147 2.613 4.044 . 0 0 "[ . 1 . 2]" 1
929 1 63 ARG H 1 63 ARG QG . . 3.570 3.152 2.417 3.613 0.043 9 0 "[ . 1 . 2]" 1
930 1 63 ARG HA 1 63 ARG HD2 . . 5.500 4.323 2.214 5.530 0.030 12 0 "[ . 1 . 2]" 1
931 1 63 ARG HA 1 63 ARG QD . . 4.830 3.679 2.200 4.483 . 0 0 "[ . 1 . 2]" 1
932 1 63 ARG HA 1 63 ARG HD3 . . 5.500 4.149 2.316 5.544 0.044 2 0 "[ . 1 . 2]" 1
933 1 63 ARG HA 1 64 LYS H . . 2.570 2.367 2.282 2.435 . 0 0 "[ . 1 . 2]" 1
934 1 63 ARG QB 1 63 ARG QD . . 3.200 2.240 2.083 2.827 . 0 0 "[ . 1 . 2]" 1
935 1 63 ARG QB 1 64 LYS H . . 4.070 2.449 2.256 2.653 . 0 0 "[ . 1 . 2]" 1
936 1 63 ARG QG 1 64 LYS H . . 5.040 3.762 3.331 4.240 . 0 0 "[ . 1 . 2]" 1
937 1 64 LYS H 1 64 LYS QB . . 3.530 2.292 2.118 2.478 . 0 0 "[ . 1 . 2]" 1
938 1 64 LYS HA 1 64 LYS QD . . 4.180 4.006 3.644 4.199 0.019 15 0 "[ . 1 . 2]" 1
939 1 64 LYS HA 1 64 LYS QG . . 2.860 2.285 2.105 2.475 . 0 0 "[ . 1 . 2]" 1
940 1 64 LYS HA 1 65 ALA H . . 3.120 2.174 2.125 2.276 . 0 0 "[ . 1 . 2]" 1
941 1 64 LYS HB2 1 65 ALA H . . 5.500 4.321 4.082 4.563 . 0 0 "[ . 1 . 2]" 1
942 1 64 LYS HB3 1 65 ALA H . . 5.500 3.346 3.008 3.760 . 0 0 "[ . 1 . 2]" 1
943 1 64 LYS QE 1 64 LYS QG . . 3.240 2.125 2.028 2.389 . 0 0 "[ . 1 . 2]" 1
944 1 64 LYS QG 1 65 ALA H . . 5.340 3.607 2.783 4.183 . 0 0 "[ . 1 . 2]" 1
945 1 65 ALA H 1 66 LEU H . . 5.500 4.114 2.314 4.620 . 0 0 "[ . 1 . 2]" 1
946 1 65 ALA H 1 66 LEU QB . . 5.500 5.304 4.724 5.543 0.043 13 0 "[ . 1 . 2]" 1
947 1 65 ALA MB 1 66 LEU H . . 3.940 2.598 2.257 3.688 . 0 0 "[ . 1 . 2]" 1
948 1 66 LEU H 1 66 LEU QB . . 3.350 2.703 1.998 3.322 . 0 0 "[ . 1 . 2]" 1
949 1 66 LEU HA 1 66 LEU MD1 . . 4.660 3.072 2.100 4.125 . 0 0 "[ . 1 . 2]" 1
950 1 66 LEU HA 1 66 LEU QD . . 3.330 2.684 1.982 3.435 0.105 10 0 "[ . 1 . 2]" 1
951 1 66 LEU HA 1 66 LEU MD2 . . 4.660 3.403 2.145 4.132 . 0 0 "[ . 1 . 2]" 1
952 1 66 LEU HA 1 67 ALA H . . 2.710 2.196 2.114 2.629 . 0 0 "[ . 1 . 2]" 1
953 1 66 LEU QB 1 66 LEU MD1 . . 2.960 2.171 2.065 2.442 . 0 0 "[ . 1 . 2]" 1
954 1 66 LEU QB 1 66 LEU QD . . 2.510 1.926 1.896 2.084 . 0 0 "[ . 1 . 2]" 1
955 1 66 LEU QB 1 66 LEU MD2 . . 2.960 2.168 2.081 2.292 . 0 0 "[ . 1 . 2]" 1
956 1 67 ALA H 1 68 PRO QD . . 4.600 4.471 4.412 4.510 . 0 0 "[ . 1 . 2]" 1
957 1 67 ALA HA 1 68 PRO HD2 . . 3.890 2.517 2.458 2.615 . 0 0 "[ . 1 . 2]" 1
958 1 67 ALA HA 1 68 PRO HD3 . . 3.890 2.456 2.392 2.522 . 0 0 "[ . 1 . 2]" 1
959 1 67 ALA MB 1 68 PRO HD2 . . 3.860 2.210 2.126 2.318 . 0 0 "[ . 1 . 2]" 1
960 1 67 ALA MB 1 68 PRO QD . . 3.360 2.182 2.102 2.280 . 0 0 "[ . 1 . 2]" 1
961 1 67 ALA MB 1 68 PRO HD3 . . 3.860 3.376 3.291 3.427 . 0 0 "[ . 1 . 2]" 1
962 1 68 PRO QD 1 69 GLU H . . 4.960 4.208 2.677 4.935 . 0 0 "[ . 1 . 2]" 1
963 1 69 GLU H 1 70 GLU H . . 4.380 3.116 1.962 4.399 0.019 19 0 "[ . 1 . 2]" 1
964 1 69 GLU QB 1 70 GLU H . . 4.540 3.235 2.052 4.067 . 0 0 "[ . 1 . 2]" 1
965 1 70 GLU H 1 70 GLU QB . . 3.590 2.627 2.098 3.453 . 0 0 "[ . 1 . 2]" 1
966 1 70 GLU H 1 70 GLU QG . . 4.010 3.175 2.133 4.028 0.018 3 0 "[ . 1 . 2]" 1
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