NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
460048 |
2e7b   |
11230 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2e7b
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 1215
_Distance_constraint_stats_list.Viol_count 136
_Distance_constraint_stats_list.Viol_total 22.315
_Distance_constraint_stats_list.Viol_max 0.042
_Distance_constraint_stats_list.Viol_rms 0.0010
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0082
_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 8 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.030 0.027 12 0 "[ . 1 . 2]"
1 10 ARG 0.028 0.027 12 0 "[ . 1 . 2]"
1 11 PHE 0.019 0.013 20 0 "[ . 1 . 2]"
1 12 GLN 0.014 0.013 20 0 "[ . 1 . 2]"
1 13 GLU 0.070 0.039 20 0 "[ . 1 . 2]"
1 14 ALA 0.087 0.039 20 0 "[ . 1 . 2]"
1 15 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LYS 0.001 0.001 17 0 "[ . 1 . 2]"
1 17 ASP 0.001 0.001 18 0 "[ . 1 . 2]"
1 18 LEU 0.005 0.002 18 0 "[ . 1 . 2]"
1 19 GLU 0.004 0.002 17 0 "[ . 1 . 2]"
1 20 VAL 0.031 0.014 7 0 "[ . 1 . 2]"
1 21 LEU 0.113 0.032 10 0 "[ . 1 . 2]"
1 22 GLU 0.029 0.015 17 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLY 0.004 0.004 9 0 "[ . 1 . 2]"
1 25 ALA 0.004 0.004 9 0 "[ . 1 . 2]"
1 26 ALA 0.000 0.000 6 0 "[ . 1 . 2]"
1 27 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LEU 0.002 0.002 17 0 "[ . 1 . 2]"
1 29 ARG 0.014 0.011 9 0 "[ . 1 . 2]"
1 30 CYS 0.025 0.023 9 0 "[ . 1 . 2]"
1 31 VAL 0.038 0.023 9 0 "[ . 1 . 2]"
1 32 LEU 0.041 0.022 14 0 "[ . 1 . 2]"
1 33 SER 0.014 0.013 20 0 "[ . 1 . 2]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 0.021 0.014 13 0 "[ . 1 . 2]"
1 36 ALA 0.021 0.014 13 0 "[ . 1 . 2]"
1 37 ALA 0.002 0.002 12 0 "[ . 1 . 2]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 VAL 0.088 0.031 10 0 "[ . 1 . 2]"
1 40 LYS 0.006 0.004 20 0 "[ . 1 . 2]"
1 41 TRP 0.007 0.005 20 0 "[ . 1 . 2]"
1 42 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 VAL 0.004 0.004 20 0 "[ . 1 . 2]"
1 48 LEU 0.000 0.000 16 0 "[ . 1 . 2]"
1 49 ARG 0.044 0.022 7 0 "[ . 1 . 2]"
1 50 PRO 0.003 0.003 17 0 "[ . 1 . 2]"
1 51 GLY 0.004 0.003 20 0 "[ . 1 . 2]"
1 53 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 TYR 0.004 0.003 20 0 "[ . 1 . 2]"
1 55 SER 0.018 0.015 17 0 "[ . 1 . 2]"
1 56 LEU 0.012 0.005 20 0 "[ . 1 . 2]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLU 0.006 0.006 17 0 "[ . 1 . 2]"
1 60 GLY 0.003 0.003 16 0 "[ . 1 . 2]"
1 61 ALA 0.007 0.006 17 0 "[ . 1 . 2]"
1 62 MET 0.018 0.006 17 0 "[ . 1 . 2]"
1 63 LEU 0.146 0.038 15 0 "[ . 1 . 2]"
1 64 GLU 0.002 0.001 16 0 "[ . 1 . 2]"
1 65 LEU 0.002 0.002 16 0 "[ . 1 . 2]"
1 66 VAL 0.019 0.015 17 0 "[ . 1 . 2]"
1 67 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ARG 0.028 0.018 12 0 "[ . 1 . 2]"
1 69 ASN 0.029 0.018 12 0 "[ . 1 . 2]"
1 70 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ARG 0.011 0.011 20 0 "[ . 1 . 2]"
1 72 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLN 0.001 0.001 8 0 "[ . 1 . 2]"
1 74 ASP 0.001 0.001 8 0 "[ . 1 . 2]"
1 75 SER 0.008 0.007 14 0 "[ . 1 . 2]"
1 76 GLY 0.008 0.007 14 0 "[ . 1 . 2]"
1 77 ARG 0.014 0.014 12 0 "[ . 1 . 2]"
1 78 TYR 0.000 0.000 16 0 "[ . 1 . 2]"
1 79 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 CYS 0.004 0.003 17 0 "[ . 1 . 2]"
1 81 SER 0.003 0.002 14 0 "[ . 1 . 2]"
1 82 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ALA 0.002 0.001 17 0 "[ . 1 . 2]"
1 90 THR 0.000 0.000 17 0 "[ . 1 . 2]"
1 91 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 THR 0.000 0.000 10 0 "[ . 1 . 2]"
1 95 ALA 0.000 0.000 10 0 "[ . 1 . 2]"
1 96 LEU 0.348 0.042 17 0 "[ . 1 . 2]"
1 97 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 PRO HA 1 9 VAL H . . 2.770 2.399 2.177 2.558 . 0 0 "[ . 1 . 2]" 1
2 1 8 PRO HA 1 9 VAL QG . . 4.340 3.457 2.994 3.666 . 0 0 "[ . 1 . 2]" 1
3 1 8 PRO QB 1 9 VAL H . . 3.310 2.563 2.208 3.163 . 0 0 "[ . 1 . 2]" 1
4 1 8 PRO HB2 1 9 VAL H . . 4.040 2.646 2.244 3.352 . 0 0 "[ . 1 . 2]" 1
5 1 8 PRO HB3 1 9 VAL H . . 4.040 3.481 3.280 3.881 . 0 0 "[ . 1 . 2]" 1
6 1 9 VAL H 1 9 VAL HB . . 3.640 2.679 2.400 3.643 0.003 12 0 "[ . 1 . 2]" 1
7 1 9 VAL H 1 9 VAL MG1 . . 4.400 3.735 2.295 3.964 . 0 0 "[ . 1 . 2]" 1
8 1 9 VAL H 1 9 VAL QG . . 3.140 2.346 1.897 2.956 . 0 0 "[ . 1 . 2]" 1
9 1 9 VAL H 1 9 VAL MG2 . . 4.400 2.386 1.902 3.062 . 0 0 "[ . 1 . 2]" 1
10 1 9 VAL HA 1 9 VAL MG1 . . 3.700 2.366 2.123 2.470 . 0 0 "[ . 1 . 2]" 1
11 1 9 VAL HA 1 9 VAL MG2 . . 3.700 2.437 2.251 3.186 . 0 0 "[ . 1 . 2]" 1
12 1 9 VAL HA 1 10 ARG H . . 3.070 2.207 2.140 2.730 . 0 0 "[ . 1 . 2]" 1
13 1 9 VAL HB 1 36 ALA MB . . 5.500 3.958 2.821 4.915 . 0 0 "[ . 1 . 2]" 1
14 1 9 VAL HB 1 82 PHE QD . . 4.180 3.667 2.455 4.179 . 0 0 "[ . 1 . 2]" 1
15 1 9 VAL QG 1 10 ARG H . . 3.530 2.567 1.915 3.516 . 0 0 "[ . 1 . 2]" 1
16 1 9 VAL QG 1 32 LEU HB3 . . 3.990 2.268 1.865 3.523 . 0 0 "[ . 1 . 2]" 1
17 1 9 VAL QG 1 32 LEU QD . . 3.170 2.519 1.851 3.169 . 0 0 "[ . 1 . 2]" 1
18 1 9 VAL QG 1 33 SER H . . 4.570 2.772 2.198 4.317 . 0 0 "[ . 1 . 2]" 1
19 1 9 VAL QG 1 34 SER H . . 3.740 2.395 1.873 3.429 . 0 0 "[ . 1 . 2]" 1
20 1 9 VAL QG 1 34 SER QB . . 3.540 2.616 1.850 3.537 . 0 0 "[ . 1 . 2]" 1
21 1 9 VAL QG 1 82 PHE QD . . 4.340 3.150 2.357 4.050 . 0 0 "[ . 1 . 2]" 1
22 1 9 VAL MG1 1 10 ARG H . . 4.270 2.636 1.919 4.297 0.027 12 0 "[ . 1 . 2]" 1
23 1 9 VAL MG1 1 34 SER H . . 4.750 2.427 1.887 3.600 . 0 0 "[ . 1 . 2]" 1
24 1 9 VAL MG1 1 34 SER HB2 . . 5.020 3.419 1.942 5.000 . 0 0 "[ . 1 . 2]" 1
25 1 9 VAL MG1 1 34 SER HB3 . . 5.020 3.883 2.380 4.831 . 0 0 "[ . 1 . 2]" 1
26 1 9 VAL MG2 1 10 ARG H . . 4.270 4.056 3.731 4.270 . 0 0 "[ . 1 . 2]" 1
27 1 9 VAL MG2 1 34 SER H . . 4.750 3.830 3.132 4.595 . 0 0 "[ . 1 . 2]" 1
28 1 9 VAL MG2 1 34 SER HB2 . . 5.020 3.441 2.305 4.977 . 0 0 "[ . 1 . 2]" 1
29 1 9 VAL MG2 1 34 SER HB3 . . 5.020 3.712 2.001 4.910 . 0 0 "[ . 1 . 2]" 1
30 1 10 ARG H 1 10 ARG HG2 . . 4.680 3.845 2.582 4.499 . 0 0 "[ . 1 . 2]" 1
31 1 10 ARG H 1 10 ARG QG . . 3.880 3.105 2.166 3.881 0.001 2 0 "[ . 1 . 2]" 1
32 1 10 ARG H 1 10 ARG HG3 . . 4.680 3.498 2.211 4.524 . 0 0 "[ . 1 . 2]" 1
33 1 10 ARG H 1 33 SER H . . 4.220 3.792 2.867 4.195 . 0 0 "[ . 1 . 2]" 1
34 1 10 ARG H 1 33 SER QB . . 4.960 2.432 1.911 3.351 . 0 0 "[ . 1 . 2]" 1
35 1 10 ARG HA 1 10 ARG HD2 . . 4.880 3.717 1.989 4.806 . 0 0 "[ . 1 . 2]" 1
36 1 10 ARG HA 1 10 ARG HD3 . . 4.880 4.152 2.264 4.868 . 0 0 "[ . 1 . 2]" 1
37 1 10 ARG HA 1 11 PHE H . . 3.310 2.372 2.156 2.652 . 0 0 "[ . 1 . 2]" 1
38 1 10 ARG HA 1 11 PHE QD . . 5.060 4.362 3.898 4.756 . 0 0 "[ . 1 . 2]" 1
39 1 10 ARG HA 1 85 GLN QE . . 5.340 4.034 2.160 5.320 . 0 0 "[ . 1 . 2]" 1
40 1 10 ARG HA 1 85 GLN QG . . 3.750 3.254 2.223 3.729 . 0 0 "[ . 1 . 2]" 1
41 1 10 ARG QB 1 10 ARG HD2 . . 3.810 2.497 2.062 3.278 . 0 0 "[ . 1 . 2]" 1
42 1 10 ARG QB 1 10 ARG HD3 . . 3.810 2.731 2.145 3.469 . 0 0 "[ . 1 . 2]" 1
43 1 10 ARG QB 1 11 PHE H . . 3.520 2.611 2.006 3.518 . 0 0 "[ . 1 . 2]" 1
44 1 10 ARG QG 1 33 SER QB . . 4.950 4.268 3.225 4.888 . 0 0 "[ . 1 . 2]" 1
45 1 11 PHE H 1 11 PHE HB2 . . 3.480 2.242 2.171 2.486 . 0 0 "[ . 1 . 2]" 1
46 1 11 PHE H 1 11 PHE QD . . 3.940 3.231 2.884 3.726 . 0 0 "[ . 1 . 2]" 1
47 1 11 PHE HA 1 11 PHE QD . . 3.740 2.577 2.307 2.820 . 0 0 "[ . 1 . 2]" 1
48 1 11 PHE HA 1 12 GLN H . . 3.230 2.280 2.165 2.428 . 0 0 "[ . 1 . 2]" 1
49 1 11 PHE HA 1 13 GLU H . . 4.330 3.938 3.658 4.284 . 0 0 "[ . 1 . 2]" 1
50 1 11 PHE HA 1 32 LEU HA . . 3.370 3.081 2.762 3.359 . 0 0 "[ . 1 . 2]" 1
51 1 11 PHE HA 1 32 LEU QD . . 4.040 3.118 2.427 3.913 . 0 0 "[ . 1 . 2]" 1
52 1 11 PHE HA 1 33 SER H . . 4.210 3.698 3.309 4.152 . 0 0 "[ . 1 . 2]" 1
53 1 11 PHE HB2 1 87 THR HB . . 4.780 4.203 3.893 4.510 . 0 0 "[ . 1 . 2]" 1
54 1 11 PHE HB3 1 14 ALA HA . . 4.530 3.624 3.044 4.042 . 0 0 "[ . 1 . 2]" 1
55 1 11 PHE HB3 1 14 ALA MB . . 4.560 2.162 1.954 2.442 . 0 0 "[ . 1 . 2]" 1
56 1 11 PHE HB3 1 87 THR HB . . 4.820 3.859 3.634 4.166 . 0 0 "[ . 1 . 2]" 1
57 1 11 PHE QD 1 12 GLN H . . 4.680 4.208 3.849 4.637 . 0 0 "[ . 1 . 2]" 1
58 1 11 PHE QD 1 30 CYS HB2 . . 4.460 3.691 3.119 4.030 . 0 0 "[ . 1 . 2]" 1
59 1 11 PHE QD 1 30 CYS HB3 . . 5.500 5.080 4.152 5.498 . 0 0 "[ . 1 . 2]" 1
60 1 11 PHE QD 1 32 LEU QD . . 4.140 2.833 2.119 3.584 . 0 0 "[ . 1 . 2]" 1
61 1 11 PHE QD 1 85 GLN HB2 . . 4.920 2.838 2.185 3.487 . 0 0 "[ . 1 . 2]" 1
62 1 11 PHE QD 1 85 GLN QB . . 4.260 2.263 2.030 2.743 . 0 0 "[ . 1 . 2]" 1
63 1 11 PHE QD 1 85 GLN HB3 . . 4.920 2.502 2.087 3.944 . 0 0 "[ . 1 . 2]" 1
64 1 11 PHE QD 1 85 GLN QG . . 5.170 3.813 2.208 4.593 . 0 0 "[ . 1 . 2]" 1
65 1 11 PHE QD 1 87 THR HB . . 4.760 3.400 3.124 3.986 . 0 0 "[ . 1 . 2]" 1
66 1 11 PHE QD 1 87 THR MG . . 4.030 3.502 2.907 3.954 . 0 0 "[ . 1 . 2]" 1
67 1 11 PHE QE 1 32 LEU QD . . 3.710 2.533 2.098 3.036 . 0 0 "[ . 1 . 2]" 1
68 1 11 PHE QE 1 63 LEU QD . . 4.340 3.965 3.357 4.313 . 0 0 "[ . 1 . 2]" 1
69 1 11 PHE QE 1 81 SER HA . . 4.700 4.469 4.000 4.700 0.000 17 0 "[ . 1 . 2]" 1
70 1 11 PHE QE 1 82 PHE H . . 3.980 3.663 3.285 3.922 . 0 0 "[ . 1 . 2]" 1
71 1 11 PHE QE 1 82 PHE QB . . 4.770 3.290 2.398 3.849 . 0 0 "[ . 1 . 2]" 1
72 1 11 PHE QE 1 85 GLN HB2 . . 5.040 3.181 2.144 4.213 . 0 0 "[ . 1 . 2]" 1
73 1 11 PHE QE 1 85 GLN QB . . 4.260 2.881 1.869 3.638 . 0 0 "[ . 1 . 2]" 1
74 1 11 PHE QE 1 85 GLN HB3 . . 5.040 3.394 2.058 4.629 . 0 0 "[ . 1 . 2]" 1
75 1 11 PHE QE 1 86 THR H . . 5.500 3.770 3.367 4.363 . 0 0 "[ . 1 . 2]" 1
76 1 11 PHE QE 1 86 THR HA . . 3.940 2.581 2.057 3.742 . 0 0 "[ . 1 . 2]" 1
77 1 11 PHE QE 1 87 THR H . . 4.230 3.160 2.404 3.710 . 0 0 "[ . 1 . 2]" 1
78 1 11 PHE QE 1 87 THR MG . . 4.150 2.723 2.184 3.318 . 0 0 "[ . 1 . 2]" 1
79 1 11 PHE HZ 1 14 ALA MB . . 4.870 4.852 4.652 4.883 0.013 20 0 "[ . 1 . 2]" 1
80 1 11 PHE HZ 1 32 LEU QD . . 4.220 3.533 3.251 3.975 . 0 0 "[ . 1 . 2]" 1
81 1 11 PHE HZ 1 39 VAL QG . . 5.280 4.701 3.957 5.259 . 0 0 "[ . 1 . 2]" 1
82 1 11 PHE HZ 1 63 LEU QD . . 5.440 5.166 4.498 5.437 . 0 0 "[ . 1 . 2]" 1
83 1 11 PHE HZ 1 80 CYS HB2 . . 5.010 4.822 3.964 5.011 0.001 12 0 "[ . 1 . 2]" 1
84 1 11 PHE HZ 1 80 CYS QB . . 4.360 3.149 2.213 3.426 . 0 0 "[ . 1 . 2]" 1
85 1 11 PHE HZ 1 80 CYS HB3 . . 5.010 3.194 2.225 3.488 . 0 0 "[ . 1 . 2]" 1
86 1 11 PHE HZ 1 81 SER HA . . 4.760 4.480 4.146 4.757 . 0 0 "[ . 1 . 2]" 1
87 1 11 PHE HZ 1 82 PHE HB2 . . 4.820 3.402 2.262 4.352 . 0 0 "[ . 1 . 2]" 1
88 1 11 PHE HZ 1 82 PHE HB3 . . 4.820 2.950 2.100 3.618 . 0 0 "[ . 1 . 2]" 1
89 1 11 PHE HZ 1 87 THR MG . . 4.520 2.836 2.356 3.412 . 0 0 "[ . 1 . 2]" 1
90 1 12 GLN H 1 12 GLN HB2 . . 3.780 2.518 2.265 3.623 . 0 0 "[ . 1 . 2]" 1
91 1 12 GLN H 1 12 GLN HB3 . . 3.780 2.610 2.455 2.844 . 0 0 "[ . 1 . 2]" 1
92 1 12 GLN H 1 12 GLN QG . . 4.650 3.929 2.172 4.061 . 0 0 "[ . 1 . 2]" 1
93 1 12 GLN H 1 13 GLU H . . 3.030 2.817 2.363 2.995 . 0 0 "[ . 1 . 2]" 1
94 1 12 GLN H 1 32 LEU HA . . 3.960 2.746 2.296 3.149 . 0 0 "[ . 1 . 2]" 1
95 1 12 GLN H 1 33 SER H . . 4.200 2.864 2.424 3.434 . 0 0 "[ . 1 . 2]" 1
96 1 12 GLN HA 1 12 GLN QG . . 3.620 2.829 2.450 3.339 . 0 0 "[ . 1 . 2]" 1
97 1 12 GLN QB 1 13 GLU H . . 3.540 2.329 2.003 3.443 . 0 0 "[ . 1 . 2]" 1
98 1 12 GLN QB 1 31 VAL MG1 . . 4.510 3.320 2.680 4.295 . 0 0 "[ . 1 . 2]" 1
99 1 12 GLN QB 1 33 SER HA . . 3.350 2.681 2.148 3.046 . 0 0 "[ . 1 . 2]" 1
100 1 12 GLN QB 1 33 SER QB . . 4.010 3.260 2.497 3.852 . 0 0 "[ . 1 . 2]" 1
101 1 12 GLN HB2 1 33 SER HA . . 4.080 2.830 2.169 4.093 0.013 20 0 "[ . 1 . 2]" 1
102 1 12 GLN HB3 1 33 SER HA . . 4.080 3.650 2.742 4.080 0.000 10 0 "[ . 1 . 2]" 1
103 1 12 GLN QG 1 13 GLU H . . 4.390 3.364 1.873 4.010 . 0 0 "[ . 1 . 2]" 1
104 1 12 GLN QG 1 31 VAL MG1 . . 4.550 3.742 2.811 4.337 . 0 0 "[ . 1 . 2]" 1
105 1 12 GLN QG 1 33 SER HA . . 4.360 3.875 2.645 4.359 . 0 0 "[ . 1 . 2]" 1
106 1 13 GLU H 1 13 GLU QB . . 3.310 2.550 2.430 2.621 . 0 0 "[ . 1 . 2]" 1
107 1 13 GLU H 1 13 GLU QG . . 4.810 3.813 3.121 4.304 . 0 0 "[ . 1 . 2]" 1
108 1 13 GLU H 1 31 VAL H . . 3.720 3.515 3.109 3.715 . 0 0 "[ . 1 . 2]" 1
109 1 13 GLU H 1 31 VAL HB . . 3.990 3.536 3.131 3.913 . 0 0 "[ . 1 . 2]" 1
110 1 13 GLU H 1 31 VAL MG1 . . 4.450 4.123 3.738 4.440 . 0 0 "[ . 1 . 2]" 1
111 1 13 GLU HA 1 13 GLU HG2 . . 4.170 2.881 2.285 3.696 . 0 0 "[ . 1 . 2]" 1
112 1 13 GLU HA 1 13 GLU QG . . 3.540 2.481 2.186 2.803 . 0 0 "[ . 1 . 2]" 1
113 1 13 GLU HA 1 13 GLU HG3 . . 4.170 3.111 2.208 3.737 . 0 0 "[ . 1 . 2]" 1
114 1 13 GLU HA 1 14 ALA H . . 2.840 2.519 2.355 2.719 . 0 0 "[ . 1 . 2]" 1
115 1 13 GLU HA 1 14 ALA MB . . 4.180 4.174 4.115 4.219 0.039 20 0 "[ . 1 . 2]" 1
116 1 13 GLU QB 1 14 ALA H . . 4.410 3.942 3.867 4.014 . 0 0 "[ . 1 . 2]" 1
117 1 13 GLU QB 1 31 VAL H . . 3.370 2.209 1.863 2.703 . 0 0 "[ . 1 . 2]" 1
118 1 13 GLU QB 1 31 VAL HB . . 4.140 2.202 1.991 2.648 . 0 0 "[ . 1 . 2]" 1
119 1 13 GLU HB2 1 31 VAL H . . 4.090 3.076 1.896 4.080 . 0 0 "[ . 1 . 2]" 1
120 1 13 GLU HB2 1 31 VAL MG2 . . 3.990 3.539 2.888 3.990 0.000 14 0 "[ . 1 . 2]" 1
121 1 13 GLU HB3 1 31 VAL H . . 4.090 2.486 1.930 3.403 . 0 0 "[ . 1 . 2]" 1
122 1 13 GLU HB3 1 31 VAL MG2 . . 3.990 3.411 2.848 3.970 . 0 0 "[ . 1 . 2]" 1
123 1 13 GLU QG 1 31 VAL MG2 . . 4.430 3.861 3.078 4.405 . 0 0 "[ . 1 . 2]" 1
124 1 14 ALA H 1 14 ALA MB . . 3.030 2.047 2.024 2.132 . 0 0 "[ . 1 . 2]" 1
125 1 14 ALA HA 1 15 LEU H . . 3.280 2.534 2.286 2.649 . 0 0 "[ . 1 . 2]" 1
126 1 14 ALA HA 1 30 CYS HB3 . . 4.550 3.220 2.604 3.669 . 0 0 "[ . 1 . 2]" 1
127 1 14 ALA HA 1 87 THR MG . . 4.220 3.502 2.848 4.099 . 0 0 "[ . 1 . 2]" 1
128 1 14 ALA MB 1 15 LEU H . . 3.390 2.334 2.125 2.757 . 0 0 "[ . 1 . 2]" 1
129 1 14 ALA MB 1 87 THR HB . . 4.320 2.243 1.995 2.633 . 0 0 "[ . 1 . 2]" 1
130 1 14 ALA MB 1 87 THR HG1 . . 3.650 2.296 1.837 2.810 . 0 0 "[ . 1 . 2]" 1
131 1 15 LEU H 1 15 LEU HB2 . . 3.870 2.610 2.483 2.696 . 0 0 "[ . 1 . 2]" 1
132 1 15 LEU H 1 15 LEU QB . . 3.310 2.550 2.441 2.622 . 0 0 "[ . 1 . 2]" 1
133 1 15 LEU H 1 15 LEU HB3 . . 3.870 3.586 3.575 3.604 . 0 0 "[ . 1 . 2]" 1
134 1 15 LEU H 1 15 LEU MD1 . . 4.530 3.328 3.136 3.585 . 0 0 "[ . 1 . 2]" 1
135 1 15 LEU H 1 15 LEU HG . . 3.880 2.042 1.900 2.265 . 0 0 "[ . 1 . 2]" 1
136 1 15 LEU H 1 87 THR HB . . 4.940 4.083 3.660 4.691 . 0 0 "[ . 1 . 2]" 1
137 1 15 LEU H 1 87 THR HG1 . . 4.130 2.712 1.903 3.889 . 0 0 "[ . 1 . 2]" 1
138 1 15 LEU H 1 87 THR MG . . 4.020 2.630 2.033 3.267 . 0 0 "[ . 1 . 2]" 1
139 1 15 LEU HA 1 15 LEU MD1 . . 4.630 3.935 3.876 3.983 . 0 0 "[ . 1 . 2]" 1
140 1 15 LEU HA 1 15 LEU MD2 . . 3.240 2.372 1.987 2.590 . 0 0 "[ . 1 . 2]" 1
141 1 15 LEU HA 1 15 LEU HG . . 4.210 3.008 2.805 3.202 . 0 0 "[ . 1 . 2]" 1
142 1 15 LEU HA 1 16 LYS H . . 2.920 2.415 2.199 2.642 . 0 0 "[ . 1 . 2]" 1
143 1 15 LEU HA 1 16 LYS QG . . 4.560 3.645 3.394 4.044 . 0 0 "[ . 1 . 2]" 1
144 1 15 LEU HA 1 30 CYS HB3 . . 4.430 2.787 2.353 3.249 . 0 0 "[ . 1 . 2]" 1
145 1 15 LEU QB 1 16 LYS H . . 4.000 2.394 2.012 2.927 . 0 0 "[ . 1 . 2]" 1
146 1 15 LEU QB 1 87 THR MG . . 4.210 3.274 2.733 3.824 . 0 0 "[ . 1 . 2]" 1
147 1 15 LEU MD1 1 41 TRP HH2 . . 4.690 3.296 2.388 4.341 . 0 0 "[ . 1 . 2]" 1
148 1 15 LEU MD1 1 41 TRP HZ3 . . 4.070 3.069 2.154 3.563 . 0 0 "[ . 1 . 2]" 1
149 1 15 LEU MD1 1 78 TYR QB . . 4.730 3.076 2.185 4.541 . 0 0 "[ . 1 . 2]" 1
150 1 15 LEU MD1 1 79 SER HA . . 3.860 3.180 2.727 3.738 . 0 0 "[ . 1 . 2]" 1
151 1 15 LEU MD1 1 79 SER QB . . 5.340 4.612 4.160 5.139 . 0 0 "[ . 1 . 2]" 1
152 1 15 LEU MD1 1 80 CYS H . . 4.400 3.371 2.860 3.912 . 0 0 "[ . 1 . 2]" 1
153 1 15 LEU MD1 1 87 THR MG . . 3.630 2.346 1.934 3.047 . 0 0 "[ . 1 . 2]" 1
154 1 15 LEU MD1 1 88 SER HA . . 4.110 3.553 2.691 3.934 . 0 0 "[ . 1 . 2]" 1
155 1 15 LEU MD1 1 88 SER QB . . 5.500 4.992 4.233 5.325 . 0 0 "[ . 1 . 2]" 1
156 1 15 LEU MD1 1 89 ALA H . . 3.810 3.412 2.577 3.810 . 0 0 "[ . 1 . 2]" 1
157 1 15 LEU MD1 1 89 ALA MB . . 3.720 2.578 2.067 3.051 . 0 0 "[ . 1 . 2]" 1
158 1 15 LEU MD2 1 16 LYS H . . 3.970 3.447 3.148 3.794 . 0 0 "[ . 1 . 2]" 1
159 1 15 LEU MD2 1 28 LEU HA . . 4.300 3.632 3.076 4.219 . 0 0 "[ . 1 . 2]" 1
160 1 15 LEU MD2 1 28 LEU HB2 . . 4.180 3.058 2.485 3.624 . 0 0 "[ . 1 . 2]" 1
161 1 15 LEU MD2 1 28 LEU HB3 . . 3.840 1.968 1.802 2.329 . 0 0 "[ . 1 . 2]" 1
162 1 15 LEU MD2 1 28 LEU MD1 . . 4.090 3.907 3.547 4.085 . 0 0 "[ . 1 . 2]" 1
163 1 15 LEU MD2 1 29 ARG H . . 4.050 3.170 2.545 3.664 . 0 0 "[ . 1 . 2]" 1
164 1 15 LEU MD2 1 30 CYS H . . 4.750 4.060 3.580 4.583 . 0 0 "[ . 1 . 2]" 1
165 1 15 LEU MD2 1 30 CYS HA . . 4.600 4.121 3.839 4.592 . 0 0 "[ . 1 . 2]" 1
166 1 15 LEU MD2 1 30 CYS HB2 . . 4.130 3.725 3.330 4.129 . 0 0 "[ . 1 . 2]" 1
167 1 15 LEU MD2 1 30 CYS HB3 . . 3.550 2.326 1.977 2.748 . 0 0 "[ . 1 . 2]" 1
168 1 15 LEU MD2 1 41 TRP HH2 . . 3.490 2.343 2.018 3.268 . 0 0 "[ . 1 . 2]" 1
169 1 15 LEU MD2 1 41 TRP HZ3 . . 3.920 3.407 2.517 3.872 . 0 0 "[ . 1 . 2]" 1
170 1 15 LEU MD2 1 87 THR MG . . 4.250 3.888 3.466 4.166 . 0 0 "[ . 1 . 2]" 1
171 1 15 LEU HG 1 30 CYS HB2 . . 4.860 3.821 3.374 4.643 . 0 0 "[ . 1 . 2]" 1
172 1 15 LEU HG 1 30 CYS HB3 . . 4.450 2.868 2.299 3.690 . 0 0 "[ . 1 . 2]" 1
173 1 15 LEU HG 1 87 THR MG . . 3.410 2.689 2.238 3.066 . 0 0 "[ . 1 . 2]" 1
174 1 16 LYS H 1 16 LYS HB2 . . 4.160 3.245 2.470 4.017 . 0 0 "[ . 1 . 2]" 1
175 1 16 LYS H 1 16 LYS QB . . 3.610 2.903 2.433 3.328 . 0 0 "[ . 1 . 2]" 1
176 1 16 LYS H 1 16 LYS HB3 . . 4.160 3.648 3.145 3.945 . 0 0 "[ . 1 . 2]" 1
177 1 16 LYS H 1 16 LYS QG . . 3.840 2.891 2.069 3.563 . 0 0 "[ . 1 . 2]" 1
178 1 16 LYS H 1 89 ALA MB . . 3.830 3.166 2.700 3.627 . 0 0 "[ . 1 . 2]" 1
179 1 16 LYS HA 1 16 LYS HD2 . . 5.500 4.395 2.138 5.036 . 0 0 "[ . 1 . 2]" 1
180 1 16 LYS HA 1 16 LYS QD . . 4.730 3.808 2.119 4.388 . 0 0 "[ . 1 . 2]" 1
181 1 16 LYS HA 1 16 LYS HD3 . . 5.500 4.349 2.283 5.486 . 0 0 "[ . 1 . 2]" 1
182 1 16 LYS HA 1 16 LYS QG . . 3.780 2.812 2.248 3.409 . 0 0 "[ . 1 . 2]" 1
183 1 16 LYS HA 1 17 ASP H . . 2.870 2.388 2.176 2.603 . 0 0 "[ . 1 . 2]" 1
184 1 16 LYS HA 1 89 ALA MB . . 3.190 3.014 2.762 3.191 0.001 17 0 "[ . 1 . 2]" 1
185 1 16 LYS QB 1 17 ASP H . . 3.690 2.477 2.037 3.073 . 0 0 "[ . 1 . 2]" 1
186 1 16 LYS HB2 1 17 ASP H . . 4.480 3.221 2.357 4.257 . 0 0 "[ . 1 . 2]" 1
187 1 16 LYS HB3 1 17 ASP H . . 4.480 3.028 2.061 3.996 . 0 0 "[ . 1 . 2]" 1
188 1 16 LYS QG 1 17 ASP H . . 4.660 3.847 3.295 4.429 . 0 0 "[ . 1 . 2]" 1
189 1 17 ASP H 1 17 ASP HB2 . . 3.960 2.970 2.176 3.625 . 0 0 "[ . 1 . 2]" 1
190 1 17 ASP H 1 17 ASP QB . . 3.230 2.409 2.126 2.685 . 0 0 "[ . 1 . 2]" 1
191 1 17 ASP H 1 17 ASP HB3 . . 3.960 2.937 2.235 3.628 . 0 0 "[ . 1 . 2]" 1
192 1 17 ASP H 1 89 ALA MB . . 4.200 3.852 3.222 4.184 . 0 0 "[ . 1 . 2]" 1
193 1 17 ASP HA 1 18 LEU H . . 2.870 2.183 2.139 2.317 . 0 0 "[ . 1 . 2]" 1
194 1 17 ASP HA 1 18 LEU QD . . 5.440 3.915 2.594 5.110 . 0 0 "[ . 1 . 2]" 1
195 1 17 ASP HA 1 89 ALA MB . . 4.030 3.387 2.911 3.724 . 0 0 "[ . 1 . 2]" 1
196 1 17 ASP HA 1 90 THR H . . 3.730 2.969 2.280 3.631 . 0 0 "[ . 1 . 2]" 1
197 1 17 ASP QB 1 18 LEU H . . 3.570 3.222 2.797 3.571 0.001 18 0 "[ . 1 . 2]" 1
198 1 17 ASP HB2 1 18 LEU H . . 4.430 3.755 2.850 4.332 . 0 0 "[ . 1 . 2]" 1
199 1 17 ASP HB3 1 18 LEU H . . 4.430 3.797 2.900 4.414 . 0 0 "[ . 1 . 2]" 1
200 1 18 LEU H 1 18 LEU MD1 . . 4.410 3.447 1.884 4.412 0.002 18 0 "[ . 1 . 2]" 1
201 1 18 LEU H 1 18 LEU MD2 . . 4.410 4.122 2.293 4.410 . 0 0 "[ . 1 . 2]" 1
202 1 18 LEU H 1 18 LEU HG . . 4.490 3.406 2.558 4.492 0.002 18 0 "[ . 1 . 2]" 1
203 1 18 LEU H 1 89 ALA MB . . 4.940 4.501 3.510 4.935 . 0 0 "[ . 1 . 2]" 1
204 1 18 LEU H 1 91 LEU HA . . 3.850 2.852 2.536 3.469 . 0 0 "[ . 1 . 2]" 1
205 1 18 LEU H 1 92 THR H . . 4.710 3.750 3.361 4.253 . 0 0 "[ . 1 . 2]" 1
206 1 18 LEU HA 1 18 LEU QD . . 4.160 2.542 1.921 3.336 . 0 0 "[ . 1 . 2]" 1
207 1 18 LEU QB 1 19 GLU H . . 3.590 2.670 2.306 3.551 . 0 0 "[ . 1 . 2]" 1
208 1 18 LEU QB 1 20 VAL QG . . 3.380 3.096 2.734 3.362 . 0 0 "[ . 1 . 2]" 1
209 1 18 LEU QB 1 91 LEU HA . . 4.550 3.208 2.309 4.057 . 0 0 "[ . 1 . 2]" 1
210 1 18 LEU QB 1 91 LEU MD1 . . 3.260 2.061 1.762 2.575 . 0 0 "[ . 1 . 2]" 1
211 1 18 LEU HB2 1 19 GLU H . . 4.200 3.786 2.868 4.164 . 0 0 "[ . 1 . 2]" 1
212 1 18 LEU HB2 1 91 LEU MD1 . . 3.900 2.217 1.866 3.530 . 0 0 "[ . 1 . 2]" 1
213 1 18 LEU HB3 1 19 GLU H . . 4.200 2.786 2.348 3.931 . 0 0 "[ . 1 . 2]" 1
214 1 18 LEU HB3 1 91 LEU MD1 . . 3.900 2.814 1.998 3.818 . 0 0 "[ . 1 . 2]" 1
215 1 18 LEU QD 1 19 GLU H . . 4.410 3.349 2.416 4.103 . 0 0 "[ . 1 . 2]" 1
216 1 18 LEU QD 1 26 ALA HA . . 5.440 4.057 2.908 4.702 . 0 0 "[ . 1 . 2]" 1
217 1 18 LEU QD 1 26 ALA MB . . 3.550 3.102 2.382 3.526 . 0 0 "[ . 1 . 2]" 1
218 1 18 LEU QD 1 27 THR H . . 4.270 3.453 2.551 3.971 . 0 0 "[ . 1 . 2]" 1
219 1 18 LEU QD 1 28 LEU HA . . 3.900 2.379 1.975 3.094 . 0 0 "[ . 1 . 2]" 1
220 1 18 LEU QD 1 28 LEU MD1 . . 4.010 2.930 2.492 3.491 . 0 0 "[ . 1 . 2]" 1
221 1 18 LEU QD 1 28 LEU HG . . 3.530 2.108 1.829 2.820 . 0 0 "[ . 1 . 2]" 1
222 1 18 LEU QD 1 91 LEU HA . . 4.470 3.962 3.047 4.469 . 0 0 "[ . 1 . 2]" 1
223 1 18 LEU MD1 1 28 LEU HA . . 4.460 2.709 1.987 3.698 . 0 0 "[ . 1 . 2]" 1
224 1 18 LEU MD1 1 28 LEU HG . . 4.220 2.284 1.831 4.095 . 0 0 "[ . 1 . 2]" 1
225 1 18 LEU MD2 1 28 LEU HA . . 4.460 3.288 2.054 4.002 . 0 0 "[ . 1 . 2]" 1
226 1 18 LEU MD2 1 28 LEU HG . . 4.220 3.613 2.329 4.218 . 0 0 "[ . 1 . 2]" 1
227 1 19 GLU H 1 19 GLU QB . . 3.350 2.556 2.436 2.655 . 0 0 "[ . 1 . 2]" 1
228 1 19 GLU HA 1 19 GLU HG2 . . 4.240 2.761 2.378 3.467 . 0 0 "[ . 1 . 2]" 1
229 1 19 GLU HA 1 19 GLU QG . . 3.620 2.391 2.141 2.546 . 0 0 "[ . 1 . 2]" 1
230 1 19 GLU HA 1 19 GLU HG3 . . 4.240 2.926 2.162 3.696 . 0 0 "[ . 1 . 2]" 1
231 1 19 GLU HA 1 20 VAL H . . 2.890 2.151 2.138 2.219 . 0 0 "[ . 1 . 2]" 1
232 1 19 GLU HA 1 20 VAL QG . . 4.610 3.511 3.248 3.713 . 0 0 "[ . 1 . 2]" 1
233 1 19 GLU HA 1 91 LEU MD1 . . 4.500 3.529 2.247 4.227 . 0 0 "[ . 1 . 2]" 1
234 1 19 GLU HA 1 92 THR H . . 3.750 3.114 2.383 3.603 . 0 0 "[ . 1 . 2]" 1
235 1 19 GLU HA 1 92 THR HB . . 3.790 2.387 2.029 2.811 . 0 0 "[ . 1 . 2]" 1
236 1 19 GLU HA 1 92 THR MG . . 4.480 3.614 3.233 4.073 . 0 0 "[ . 1 . 2]" 1
237 1 19 GLU QB 1 20 VAL H . . 3.970 3.728 2.976 3.907 . 0 0 "[ . 1 . 2]" 1
238 1 19 GLU QB 1 92 THR HB . . 4.110 3.381 2.363 4.070 . 0 0 "[ . 1 . 2]" 1
239 1 19 GLU QB 1 92 THR MG . . 4.300 3.984 3.401 4.300 . 0 0 "[ . 1 . 2]" 1
240 1 19 GLU QG 1 20 VAL H . . 3.930 3.013 2.559 3.930 . 0 0 "[ . 1 . 2]" 1
241 1 19 GLU QG 1 92 THR HB . . 3.900 2.771 2.073 3.444 . 0 0 "[ . 1 . 2]" 1
242 1 19 GLU QG 1 92 THR MG . . 3.530 2.702 2.210 3.297 . 0 0 "[ . 1 . 2]" 1
243 1 19 GLU HG2 1 20 VAL H . . 4.490 3.229 2.646 4.490 0.000 12 0 "[ . 1 . 2]" 1
244 1 19 GLU HG2 1 92 THR HB . . 4.490 3.542 2.549 4.439 . 0 0 "[ . 1 . 2]" 1
245 1 19 GLU HG2 1 92 THR MG . . 4.090 3.365 2.288 4.006 . 0 0 "[ . 1 . 2]" 1
246 1 19 GLU HG3 1 20 VAL H . . 4.490 4.025 3.221 4.492 0.002 17 0 "[ . 1 . 2]" 1
247 1 19 GLU HG3 1 92 THR HB . . 4.490 3.169 2.084 4.369 . 0 0 "[ . 1 . 2]" 1
248 1 19 GLU HG3 1 92 THR MG . . 4.090 3.105 2.226 4.075 . 0 0 "[ . 1 . 2]" 1
249 1 20 VAL H 1 20 VAL HB . . 4.000 3.145 2.759 4.009 0.009 17 0 "[ . 1 . 2]" 1
250 1 20 VAL H 1 20 VAL MG1 . . 4.310 3.518 2.239 4.019 . 0 0 "[ . 1 . 2]" 1
251 1 20 VAL H 1 20 VAL QG . . 3.450 2.649 2.223 3.035 . 0 0 "[ . 1 . 2]" 1
252 1 20 VAL H 1 20 VAL MG2 . . 4.310 3.022 2.340 3.928 . 0 0 "[ . 1 . 2]" 1
253 1 20 VAL H 1 91 LEU MD1 . . 4.270 3.562 2.492 4.156 . 0 0 "[ . 1 . 2]" 1
254 1 20 VAL H 1 92 THR H . . 4.540 4.008 3.627 4.524 . 0 0 "[ . 1 . 2]" 1
255 1 20 VAL H 1 92 THR MG . . 4.490 3.960 3.643 4.460 . 0 0 "[ . 1 . 2]" 1
256 1 20 VAL H 1 93 VAL HA . . 4.020 3.437 2.892 3.866 . 0 0 "[ . 1 . 2]" 1
257 1 20 VAL H 1 93 VAL MG2 . . 4.800 4.084 3.543 4.637 . 0 0 "[ . 1 . 2]" 1
258 1 20 VAL HA 1 20 VAL MG1 . . 3.490 2.480 2.026 3.194 . 0 0 "[ . 1 . 2]" 1
259 1 20 VAL HA 1 20 VAL MG2 . . 3.490 2.529 2.278 3.192 . 0 0 "[ . 1 . 2]" 1
260 1 20 VAL HA 1 21 LEU H . . 2.860 2.325 2.254 2.440 . 0 0 "[ . 1 . 2]" 1
261 1 20 VAL HA 1 21 LEU HB2 . . 4.330 4.231 4.162 4.310 . 0 0 "[ . 1 . 2]" 1
262 1 20 VAL HA 1 21 LEU HB3 . . 5.140 4.967 4.685 5.139 . 0 0 "[ . 1 . 2]" 1
263 1 20 VAL HB 1 21 LEU H . . 3.810 3.538 2.366 3.809 . 0 0 "[ . 1 . 2]" 1
264 1 20 VAL HB 1 70 LEU QD . . 3.540 2.779 2.263 3.539 . 0 0 "[ . 1 . 2]" 1
265 1 20 VAL HB 1 91 LEU MD1 . . 4.090 3.605 2.848 4.053 . 0 0 "[ . 1 . 2]" 1
266 1 20 VAL QG 1 21 LEU H . . 3.290 2.026 1.753 2.982 . 0 0 "[ . 1 . 2]" 1
267 1 20 VAL QG 1 21 LEU HB2 . . 4.730 4.019 3.658 4.716 . 0 0 "[ . 1 . 2]" 1
268 1 20 VAL QG 1 24 GLY H . . 4.780 4.152 3.483 4.746 . 0 0 "[ . 1 . 2]" 1
269 1 20 VAL QG 1 24 GLY QA . . 4.490 3.408 2.745 4.292 . 0 0 "[ . 1 . 2]" 1
270 1 20 VAL QG 1 26 ALA HA . . 3.980 2.763 2.162 3.634 . 0 0 "[ . 1 . 2]" 1
271 1 20 VAL QG 1 26 ALA MB . . 3.250 2.607 1.700 2.993 . 0 0 "[ . 1 . 2]" 1
272 1 20 VAL QG 1 70 LEU QB . . 4.890 3.673 3.147 4.477 . 0 0 "[ . 1 . 2]" 1
273 1 20 VAL QG 1 70 LEU QD . . 3.400 2.043 1.658 2.674 . 0 0 "[ . 1 . 2]" 1
274 1 20 VAL QG 1 93 VAL HA . . 4.830 3.893 2.550 4.578 . 0 0 "[ . 1 . 2]" 1
275 1 20 VAL MG1 1 21 LEU H . . 4.110 2.494 1.757 4.000 . 0 0 "[ . 1 . 2]" 1
276 1 20 VAL MG2 1 21 LEU H . . 4.110 3.424 1.802 4.124 0.014 7 0 "[ . 1 . 2]" 1
277 1 21 LEU H 1 21 LEU HB2 . . 3.110 2.504 2.284 2.880 . 0 0 "[ . 1 . 2]" 1
278 1 21 LEU H 1 21 LEU HB3 . . 3.360 2.727 2.615 2.827 . 0 0 "[ . 1 . 2]" 1
279 1 21 LEU H 1 21 LEU MD1 . . 4.470 4.099 3.703 4.463 . 0 0 "[ . 1 . 2]" 1
280 1 21 LEU H 1 21 LEU MD2 . . 4.470 4.242 3.811 4.408 . 0 0 "[ . 1 . 2]" 1
281 1 21 LEU H 1 21 LEU HG . . 4.610 4.525 4.326 4.642 0.032 10 0 "[ . 1 . 2]" 1
282 1 21 LEU H 1 22 GLU H . . 4.620 4.551 4.445 4.619 . 0 0 "[ . 1 . 2]" 1
283 1 21 LEU HA 1 21 LEU MD1 . . 3.860 2.789 2.044 3.659 . 0 0 "[ . 1 . 2]" 1
284 1 21 LEU HA 1 21 LEU QD . . 3.120 2.512 1.899 3.068 . 0 0 "[ . 1 . 2]" 1
285 1 21 LEU HA 1 21 LEU MD2 . . 3.860 3.432 1.972 3.879 0.019 12 0 "[ . 1 . 2]" 1
286 1 21 LEU HA 1 22 GLU H . . 2.890 2.231 2.156 2.315 . 0 0 "[ . 1 . 2]" 1
287 1 21 LEU HA 1 93 VAL MG1 . . 4.340 3.607 3.048 4.040 . 0 0 "[ . 1 . 2]" 1
288 1 21 LEU HA 1 94 THR H . . 3.720 2.567 2.254 3.187 . 0 0 "[ . 1 . 2]" 1
289 1 21 LEU HA 1 94 THR HB . . 3.630 2.778 2.267 3.153 . 0 0 "[ . 1 . 2]" 1
290 1 21 LEU HA 1 94 THR MG . . 4.680 4.340 3.907 4.677 . 0 0 "[ . 1 . 2]" 1
291 1 21 LEU HB3 1 21 LEU QD . . 3.140 2.102 1.953 2.339 . 0 0 "[ . 1 . 2]" 1
292 1 21 LEU HB3 1 22 GLU H . . 4.250 3.747 3.519 4.010 . 0 0 "[ . 1 . 2]" 1
293 1 21 LEU QD 1 22 GLU H . . 3.550 2.655 1.896 3.409 . 0 0 "[ . 1 . 2]" 1
294 1 21 LEU QD 1 94 THR HB . . 3.640 2.394 1.821 3.456 . 0 0 "[ . 1 . 2]" 1
295 1 21 LEU QD 1 97 PRO HD2 . . 4.260 3.505 3.113 3.998 . 0 0 "[ . 1 . 2]" 1
296 1 21 LEU QD 1 97 PRO HD3 . . 3.960 3.402 2.318 3.953 . 0 0 "[ . 1 . 2]" 1
297 1 21 LEU MD1 1 22 GLU H . . 4.180 3.445 1.908 4.195 0.015 17 0 "[ . 1 . 2]" 1
298 1 21 LEU MD1 1 94 THR HB . . 4.420 2.580 1.822 3.764 . 0 0 "[ . 1 . 2]" 1
299 1 21 LEU MD1 1 96 LEU HA . . 3.860 3.445 2.407 3.858 . 0 0 "[ . 1 . 2]" 1
300 1 21 LEU MD1 1 97 PRO HD2 . . 5.260 4.306 3.339 4.958 . 0 0 "[ . 1 . 2]" 1
301 1 21 LEU MD1 1 97 PRO HD3 . . 4.540 3.843 2.928 4.480 . 0 0 "[ . 1 . 2]" 1
302 1 21 LEU MD2 1 22 GLU H . . 4.180 3.263 1.926 4.150 . 0 0 "[ . 1 . 2]" 1
303 1 21 LEU MD2 1 94 THR HB . . 4.420 3.983 2.179 4.391 . 0 0 "[ . 1 . 2]" 1
304 1 21 LEU MD2 1 96 LEU HA . . 3.860 3.241 2.407 3.861 0.001 6 0 "[ . 1 . 2]" 1
305 1 21 LEU MD2 1 97 PRO HD2 . . 5.260 3.848 3.147 4.585 . 0 0 "[ . 1 . 2]" 1
306 1 21 LEU MD2 1 97 PRO HD3 . . 4.540 3.897 2.341 4.513 . 0 0 "[ . 1 . 2]" 1
307 1 21 LEU HG 1 22 GLU H . . 4.840 2.709 2.080 4.577 . 0 0 "[ . 1 . 2]" 1
308 1 22 GLU H 1 22 GLU HB2 . . 3.570 3.078 2.403 3.575 0.005 3 0 "[ . 1 . 2]" 1
309 1 22 GLU H 1 22 GLU HB3 . . 3.570 2.352 2.243 2.670 . 0 0 "[ . 1 . 2]" 1
310 1 22 GLU H 1 22 GLU QG . . 4.090 3.331 2.460 3.994 . 0 0 "[ . 1 . 2]" 1
311 1 22 GLU H 1 23 GLY H . . 5.350 4.601 4.494 4.653 . 0 0 "[ . 1 . 2]" 1
312 1 22 GLU H 1 93 VAL MG1 . . 3.680 2.806 2.520 3.158 . 0 0 "[ . 1 . 2]" 1
313 1 22 GLU H 1 94 THR H . . 4.290 3.196 2.768 3.637 . 0 0 "[ . 1 . 2]" 1
314 1 22 GLU H 1 94 THR HB . . 4.750 3.506 2.962 3.925 . 0 0 "[ . 1 . 2]" 1
315 1 22 GLU H 1 96 LEU H . . 5.500 4.038 3.418 4.519 . 0 0 "[ . 1 . 2]" 1
316 1 22 GLU H 1 96 LEU QD . . 5.430 4.769 3.719 5.429 . 0 0 "[ . 1 . 2]" 1
317 1 22 GLU HA 1 22 GLU QG . . 3.860 3.024 2.531 3.508 . 0 0 "[ . 1 . 2]" 1
318 1 22 GLU HA 1 23 GLY H . . 3.250 2.289 2.143 2.589 . 0 0 "[ . 1 . 2]" 1
319 1 22 GLU HA 1 24 GLY H . . 4.220 3.514 3.133 4.015 . 0 0 "[ . 1 . 2]" 1
320 1 22 GLU HA 1 70 LEU HB2 . . 4.170 3.332 2.690 3.776 . 0 0 "[ . 1 . 2]" 1
321 1 22 GLU HA 1 70 LEU QB . . 3.640 2.832 2.101 3.255 . 0 0 "[ . 1 . 2]" 1
322 1 22 GLU HA 1 70 LEU HB3 . . 4.170 3.104 2.193 3.847 . 0 0 "[ . 1 . 2]" 1
323 1 22 GLU HA 1 70 LEU QD . . 4.540 3.604 2.931 4.030 . 0 0 "[ . 1 . 2]" 1
324 1 22 GLU HA 1 93 VAL MG1 . . 3.310 2.394 2.054 2.775 . 0 0 "[ . 1 . 2]" 1
325 1 22 GLU QB 1 23 GLY H . . 3.980 3.156 2.188 3.822 . 0 0 "[ . 1 . 2]" 1
326 1 22 GLU QB 1 71 ARG HA . . 4.470 3.308 2.469 4.263 . 0 0 "[ . 1 . 2]" 1
327 1 22 GLU QB 1 72 PRO HD3 . . 4.100 2.656 1.972 3.277 . 0 0 "[ . 1 . 2]" 1
328 1 22 GLU QB 1 93 VAL MG1 . . 3.370 2.326 2.100 2.648 . 0 0 "[ . 1 . 2]" 1
329 1 22 GLU QB 1 95 ALA HA . . 3.640 2.609 2.213 3.062 . 0 0 "[ . 1 . 2]" 1
330 1 22 GLU QB 1 96 LEU H . . 3.680 2.673 1.882 3.584 . 0 0 "[ . 1 . 2]" 1
331 1 22 GLU HB2 1 23 GLY H . . 4.610 3.362 2.204 4.302 . 0 0 "[ . 1 . 2]" 1
332 1 22 GLU HB2 1 72 PRO HD3 . . 4.860 2.754 2.016 3.355 . 0 0 "[ . 1 . 2]" 1
333 1 22 GLU HB2 1 93 VAL MG1 . . 3.930 2.656 2.125 3.236 . 0 0 "[ . 1 . 2]" 1
334 1 22 GLU HB2 1 95 ALA HA . . 4.170 3.370 2.474 4.071 . 0 0 "[ . 1 . 2]" 1
335 1 22 GLU HB2 1 96 LEU H . . 4.450 3.755 2.745 4.449 . 0 0 "[ . 1 . 2]" 1
336 1 22 GLU HB3 1 23 GLY H . . 4.610 4.092 3.691 4.407 . 0 0 "[ . 1 . 2]" 1
337 1 22 GLU HB3 1 72 PRO HD3 . . 4.860 3.689 2.488 4.627 . 0 0 "[ . 1 . 2]" 1
338 1 22 GLU HB3 1 93 VAL MG1 . . 3.930 3.059 2.181 3.920 . 0 0 "[ . 1 . 2]" 1
339 1 22 GLU HB3 1 95 ALA HA . . 4.170 2.824 2.281 3.831 . 0 0 "[ . 1 . 2]" 1
340 1 22 GLU HB3 1 96 LEU H . . 4.450 2.758 1.901 3.784 . 0 0 "[ . 1 . 2]" 1
341 1 22 GLU QG 1 23 GLY H . . 3.820 2.987 1.905 3.800 . 0 0 "[ . 1 . 2]" 1
342 1 22 GLU QG 1 71 ARG HA . . 4.650 3.896 2.134 4.650 0.000 7 0 "[ . 1 . 2]" 1
343 1 22 GLU QG 1 72 PRO HD3 . . 4.030 3.404 2.291 4.007 . 0 0 "[ . 1 . 2]" 1
344 1 22 GLU QG 1 93 VAL MG1 . . 4.200 3.723 3.247 4.199 . 0 0 "[ . 1 . 2]" 1
345 1 22 GLU QG 1 95 ALA HA . . 3.940 3.240 2.247 3.914 . 0 0 "[ . 1 . 2]" 1
346 1 22 GLU QG 1 95 ALA MB . . 4.940 4.348 3.556 4.856 . 0 0 "[ . 1 . 2]" 1
347 1 22 GLU QG 1 96 LEU H . . 3.840 2.539 1.862 3.556 . 0 0 "[ . 1 . 2]" 1
348 1 22 GLU QG 1 96 LEU QB . . 4.290 3.054 2.143 4.135 . 0 0 "[ . 1 . 2]" 1
349 1 22 GLU QG 1 96 LEU QD . . 3.930 2.608 2.167 2.935 . 0 0 "[ . 1 . 2]" 1
350 1 22 GLU QG 1 96 LEU HG . . 3.950 3.008 1.917 3.897 . 0 0 "[ . 1 . 2]" 1
351 1 23 GLY H 1 24 GLY H . . 3.680 2.405 1.803 3.152 . 0 0 "[ . 1 . 2]" 1
352 1 23 GLY H 1 70 LEU H . . 4.310 3.950 3.251 4.290 . 0 0 "[ . 1 . 2]" 1
353 1 23 GLY H 1 70 LEU HB2 . . 4.250 2.917 2.191 3.488 . 0 0 "[ . 1 . 2]" 1
354 1 23 GLY H 1 70 LEU QB . . 3.590 2.792 2.134 3.253 . 0 0 "[ . 1 . 2]" 1
355 1 23 GLY H 1 70 LEU HB3 . . 4.250 3.638 2.939 4.199 . 0 0 "[ . 1 . 2]" 1
356 1 23 GLY H 1 93 VAL MG1 . . 4.490 4.008 3.618 4.410 . 0 0 "[ . 1 . 2]" 1
357 1 23 GLY QA 1 24 GLY H . . 3.130 2.798 2.550 2.916 . 0 0 "[ . 1 . 2]" 1
358 1 24 GLY H 1 25 ALA H . . 4.140 4.097 4.011 4.144 0.004 9 0 "[ . 1 . 2]" 1
359 1 24 GLY H 1 70 LEU HB2 . . 4.390 2.312 1.928 2.976 . 0 0 "[ . 1 . 2]" 1
360 1 24 GLY H 1 70 LEU QB . . 3.620 2.291 1.917 2.926 . 0 0 "[ . 1 . 2]" 1
361 1 24 GLY H 1 70 LEU HB3 . . 4.390 3.794 3.387 4.347 . 0 0 "[ . 1 . 2]" 1
362 1 24 GLY H 1 70 LEU QD . . 4.050 3.040 2.711 3.402 . 0 0 "[ . 1 . 2]" 1
363 1 24 GLY H 1 70 LEU HG . . 4.640 4.149 3.276 4.596 . 0 0 "[ . 1 . 2]" 1
364 1 24 GLY QA 1 25 ALA H . . 2.790 2.161 2.143 2.181 . 0 0 "[ . 1 . 2]" 1
365 1 24 GLY HA2 1 25 ALA H . . 3.300 3.001 2.949 3.056 . 0 0 "[ . 1 . 2]" 1
366 1 24 GLY HA3 1 25 ALA H . . 3.300 2.216 2.188 2.247 . 0 0 "[ . 1 . 2]" 1
367 1 25 ALA H 1 25 ALA MB . . 3.280 2.566 2.496 2.649 . 0 0 "[ . 1 . 2]" 1
368 1 25 ALA H 1 70 LEU QD . . 4.510 2.842 2.538 3.251 . 0 0 "[ . 1 . 2]" 1
369 1 25 ALA HA 1 26 ALA H . . 3.030 2.278 2.143 2.374 . 0 0 "[ . 1 . 2]" 1
370 1 25 ALA HA 1 68 ARG HA . . 3.640 2.891 2.195 3.205 . 0 0 "[ . 1 . 2]" 1
371 1 25 ALA HA 1 69 ASN H . . 4.620 4.361 3.871 4.620 0.000 2 0 "[ . 1 . 2]" 1
372 1 25 ALA HA 1 70 LEU H . . 4.300 3.872 3.505 4.293 . 0 0 "[ . 1 . 2]" 1
373 1 25 ALA HA 1 70 LEU MD1 . . 4.180 2.514 2.201 3.160 . 0 0 "[ . 1 . 2]" 1
374 1 25 ALA HA 1 70 LEU QD . . 3.630 2.463 2.190 3.022 . 0 0 "[ . 1 . 2]" 1
375 1 25 ALA HA 1 70 LEU MD2 . . 4.180 3.704 3.217 4.120 . 0 0 "[ . 1 . 2]" 1
376 1 25 ALA HA 1 70 LEU HG . . 3.830 2.424 2.003 2.875 . 0 0 "[ . 1 . 2]" 1
377 1 25 ALA MB 1 26 ALA H . . 3.660 2.728 2.509 3.323 . 0 0 "[ . 1 . 2]" 1
378 1 25 ALA MB 1 66 VAL MG1 . . 3.100 2.478 2.185 2.972 . 0 0 "[ . 1 . 2]" 1
379 1 25 ALA MB 1 67 VAL H . . 4.490 3.401 2.648 4.124 . 0 0 "[ . 1 . 2]" 1
380 1 25 ALA MB 1 68 ARG HA . . 3.610 2.524 2.143 2.988 . 0 0 "[ . 1 . 2]" 1
381 1 25 ALA MB 1 68 ARG QG . . 4.150 2.944 1.939 4.127 . 0 0 "[ . 1 . 2]" 1
382 1 25 ALA MB 1 69 ASN H . . 4.480 4.131 3.749 4.381 . 0 0 "[ . 1 . 2]" 1
383 1 26 ALA H 1 26 ALA MB . . 3.430 2.407 2.315 2.517 . 0 0 "[ . 1 . 2]" 1
384 1 26 ALA H 1 66 VAL MG1 . . 4.230 3.765 3.279 4.230 . 6 0 "[ . 1 . 2]" 1
385 1 26 ALA H 1 67 VAL H . . 3.690 2.680 2.385 3.368 . 0 0 "[ . 1 . 2]" 1
386 1 26 ALA H 1 67 VAL HB . . 4.360 2.908 2.161 3.322 . 0 0 "[ . 1 . 2]" 1
387 1 26 ALA H 1 70 LEU MD1 . . 4.380 2.886 2.043 3.465 . 0 0 "[ . 1 . 2]" 1
388 1 26 ALA H 1 70 LEU QD . . 3.830 2.665 1.953 3.230 . 0 0 "[ . 1 . 2]" 1
389 1 26 ALA H 1 70 LEU MD2 . . 4.380 3.241 2.487 3.860 . 0 0 "[ . 1 . 2]" 1
390 1 26 ALA H 1 70 LEU HG . . 4.430 3.231 2.888 3.664 . 0 0 "[ . 1 . 2]" 1
391 1 26 ALA HA 1 27 THR H . . 2.810 2.153 2.140 2.207 . 0 0 "[ . 1 . 2]" 1
392 1 26 ALA HA 1 91 LEU MD2 . . 4.440 4.317 4.089 4.439 . 0 0 "[ . 1 . 2]" 1
393 1 26 ALA MB 1 27 THR H . . 3.590 3.161 2.859 3.339 . 0 0 "[ . 1 . 2]" 1
394 1 26 ALA MB 1 67 VAL H . . 4.420 3.614 3.337 4.397 . 0 0 "[ . 1 . 2]" 1
395 1 26 ALA MB 1 67 VAL HB . . 3.440 2.728 2.079 3.409 . 0 0 "[ . 1 . 2]" 1
396 1 26 ALA MB 1 67 VAL QG . . 4.010 3.066 2.273 3.699 . 0 0 "[ . 1 . 2]" 1
397 1 26 ALA MB 1 70 LEU MD1 . . 3.130 2.154 1.805 2.575 . 0 0 "[ . 1 . 2]" 1
398 1 26 ALA MB 1 70 LEU QD . . 2.630 1.896 1.729 2.181 . 0 0 "[ . 1 . 2]" 1
399 1 26 ALA MB 1 70 LEU MD2 . . 3.130 2.162 1.948 2.581 . 0 0 "[ . 1 . 2]" 1
400 1 26 ALA MB 1 70 LEU HG . . 4.770 3.531 3.031 4.048 . 0 0 "[ . 1 . 2]" 1
401 1 26 ALA MB 1 91 LEU MD1 . . 3.450 2.319 1.978 2.709 . 0 0 "[ . 1 . 2]" 1
402 1 26 ALA MB 1 91 LEU MD2 . . 3.220 2.043 1.900 2.157 . 0 0 "[ . 1 . 2]" 1
403 1 27 THR H 1 27 THR HB . . 3.290 2.647 2.450 2.839 . 0 0 "[ . 1 . 2]" 1
404 1 27 THR H 1 27 THR MG . . 4.000 3.763 2.169 3.898 . 0 0 "[ . 1 . 2]" 1
405 1 27 THR HA 1 28 LEU MD1 . . 4.480 3.219 2.888 3.706 . 0 0 "[ . 1 . 2]" 1
406 1 27 THR HA 1 67 VAL H . . 4.300 4.021 3.046 4.294 . 0 0 "[ . 1 . 2]" 1
407 1 27 THR MG 1 28 LEU H . . 3.910 2.949 2.300 3.495 . 0 0 "[ . 1 . 2]" 1
408 1 27 THR MG 1 28 LEU HA . . 4.790 4.009 3.646 4.276 . 0 0 "[ . 1 . 2]" 1
409 1 27 THR MG 1 29 ARG HG2 . . 4.470 3.699 2.467 4.249 . 0 0 "[ . 1 . 2]" 1
410 1 27 THR MG 1 29 ARG QG . . 3.600 2.864 2.433 3.599 . 0 0 "[ . 1 . 2]" 1
411 1 27 THR MG 1 29 ARG HG3 . . 4.470 3.317 2.685 4.438 . 0 0 "[ . 1 . 2]" 1
412 1 27 THR MG 1 64 GLU HB2 . . 4.930 4.329 3.876 4.811 . 0 0 "[ . 1 . 2]" 1
413 1 27 THR MG 1 64 GLU HB3 . . 4.930 4.480 4.086 4.852 . 0 0 "[ . 1 . 2]" 1
414 1 27 THR MG 1 64 GLU HG2 . . 3.630 2.427 1.890 2.928 . 0 0 "[ . 1 . 2]" 1
415 1 27 THR MG 1 64 GLU HG3 . . 3.630 2.544 2.011 3.304 . 0 0 "[ . 1 . 2]" 1
416 1 28 LEU H 1 28 LEU HB2 . . 4.010 2.430 2.188 2.587 . 0 0 "[ . 1 . 2]" 1
417 1 28 LEU H 1 28 LEU MD1 . . 3.640 2.177 1.827 2.561 . 0 0 "[ . 1 . 2]" 1
418 1 28 LEU H 1 28 LEU MD2 . . 4.840 4.206 3.940 4.390 . 0 0 "[ . 1 . 2]" 1
419 1 28 LEU H 1 28 LEU HG . . 4.380 3.558 3.049 3.952 . 0 0 "[ . 1 . 2]" 1
420 1 28 LEU H 1 65 LEU H . . 4.060 2.850 2.351 3.201 . 0 0 "[ . 1 . 2]" 1
421 1 28 LEU H 1 66 VAL HA . . 4.370 4.023 3.721 4.348 . 0 0 "[ . 1 . 2]" 1
422 1 28 LEU H 1 66 VAL MG2 . . 4.580 4.376 3.916 4.582 0.002 17 0 "[ . 1 . 2]" 1
423 1 28 LEU HA 1 28 LEU MD1 . . 4.020 3.266 2.949 3.460 . 0 0 "[ . 1 . 2]" 1
424 1 28 LEU HA 1 28 LEU MD2 . . 3.880 3.587 3.521 3.722 . 0 0 "[ . 1 . 2]" 1
425 1 28 LEU HA 1 28 LEU HG . . 3.490 2.438 2.282 2.608 . 0 0 "[ . 1 . 2]" 1
426 1 28 LEU HA 1 29 ARG H . . 2.930 2.223 2.140 2.415 . 0 0 "[ . 1 . 2]" 1
427 1 28 LEU HB2 1 28 LEU MD1 . . 3.300 2.114 2.009 2.248 . 0 0 "[ . 1 . 2]" 1
428 1 28 LEU HB2 1 41 TRP HH2 . . 4.790 3.050 2.592 3.436 . 0 0 "[ . 1 . 2]" 1
429 1 28 LEU HB2 1 65 LEU H . . 4.210 3.111 2.669 3.531 . 0 0 "[ . 1 . 2]" 1
430 1 28 LEU HB2 1 65 LEU QB . . 4.120 2.536 1.983 2.991 . 0 0 "[ . 1 . 2]" 1
431 1 28 LEU HB2 1 65 LEU MD2 . . 4.750 3.315 2.733 3.891 . 0 0 "[ . 1 . 2]" 1
432 1 28 LEU HB3 1 28 LEU MD1 . . 3.580 3.134 3.108 3.173 . 0 0 "[ . 1 . 2]" 1
433 1 28 LEU HB3 1 28 LEU MD2 . . 3.390 2.108 1.995 2.215 . 0 0 "[ . 1 . 2]" 1
434 1 28 LEU HB3 1 29 ARG H . . 3.880 3.071 2.380 3.775 . 0 0 "[ . 1 . 2]" 1
435 1 28 LEU HB3 1 41 TRP HH2 . . 4.970 3.292 2.131 4.206 . 0 0 "[ . 1 . 2]" 1
436 1 28 LEU MD1 1 41 TRP HH2 . . 4.690 4.190 3.871 4.580 . 0 0 "[ . 1 . 2]" 1
437 1 28 LEU MD1 1 41 TRP HZ3 . . 4.240 3.960 3.112 4.236 . 0 0 "[ . 1 . 2]" 1
438 1 28 LEU MD1 1 66 VAL HA . . 4.670 4.189 3.588 4.573 . 0 0 "[ . 1 . 2]" 1
439 1 28 LEU MD1 1 67 VAL H . . 4.880 4.408 3.861 4.825 . 0 0 "[ . 1 . 2]" 1
440 1 28 LEU MD1 1 67 VAL HB . . 5.090 4.323 3.797 4.641 . 0 0 "[ . 1 . 2]" 1
441 1 28 LEU MD1 1 67 VAL QG . . 3.450 2.972 2.531 3.322 . 0 0 "[ . 1 . 2]" 1
442 1 28 LEU MD1 1 78 TYR QB . . 4.510 4.121 3.276 4.509 . 0 0 "[ . 1 . 2]" 1
443 1 28 LEU MD1 1 78 TYR QD . . 4.630 3.978 2.681 4.457 . 0 0 "[ . 1 . 2]" 1
444 1 28 LEU MD2 1 29 ARG H . . 4.910 4.458 3.899 4.908 . 0 0 "[ . 1 . 2]" 1
445 1 28 LEU MD2 1 41 TRP HZ3 . . 4.010 2.930 1.844 3.902 . 0 0 "[ . 1 . 2]" 1
446 1 28 LEU MD2 1 78 TYR QB . . 3.570 2.758 1.982 3.569 . 0 0 "[ . 1 . 2]" 1
447 1 28 LEU MD2 1 78 TYR QD . . 4.650 3.264 1.892 3.730 . 0 0 "[ . 1 . 2]" 1
448 1 28 LEU HG 1 29 ARG H . . 5.010 4.275 3.674 4.494 . 0 0 "[ . 1 . 2]" 1
449 1 29 ARG H 1 29 ARG QB . . 3.590 2.600 2.345 3.220 . 0 0 "[ . 1 . 2]" 1
450 1 29 ARG H 1 29 ARG HG2 . . 5.040 4.049 2.530 4.630 . 0 0 "[ . 1 . 2]" 1
451 1 29 ARG H 1 29 ARG QG . . 4.360 3.346 2.199 4.114 . 0 0 "[ . 1 . 2]" 1
452 1 29 ARG H 1 29 ARG HG3 . . 5.040 3.674 2.415 4.791 . 0 0 "[ . 1 . 2]" 1
453 1 29 ARG HA 1 30 CYS H . . 3.010 2.249 2.145 2.355 . 0 0 "[ . 1 . 2]" 1
454 1 29 ARG HA 1 64 GLU HA . . 3.560 3.191 2.302 3.539 . 0 0 "[ . 1 . 2]" 1
455 1 29 ARG HA 1 65 LEU H . . 4.740 4.411 3.514 4.742 0.002 16 0 "[ . 1 . 2]" 1
456 1 29 ARG QB 1 29 ARG QD . . 3.420 2.197 1.996 2.561 . 0 0 "[ . 1 . 2]" 1
457 1 29 ARG QB 1 30 CYS H . . 3.890 2.907 2.506 3.721 . 0 0 "[ . 1 . 2]" 1
458 1 29 ARG HB2 1 30 CYS H . . 4.520 3.973 2.545 4.449 . 0 0 "[ . 1 . 2]" 1
459 1 29 ARG HB3 1 30 CYS H . . 4.520 3.133 2.622 3.990 . 0 0 "[ . 1 . 2]" 1
460 1 29 ARG QD 1 31 VAL MG2 . . 4.890 4.425 2.868 4.889 . 0 0 "[ . 1 . 2]" 1
461 1 29 ARG QD 1 62 MET ME . . 3.950 2.710 1.813 3.950 0.000 15 0 "[ . 1 . 2]" 1
462 1 29 ARG QD 1 62 MET HG2 . . 5.100 3.946 2.271 4.866 . 0 0 "[ . 1 . 2]" 1
463 1 29 ARG QD 1 62 MET QG . . 4.250 3.554 2.218 4.233 . 0 0 "[ . 1 . 2]" 1
464 1 29 ARG QD 1 62 MET HG3 . . 5.100 4.170 3.114 4.978 . 0 0 "[ . 1 . 2]" 1
465 1 29 ARG QG 1 30 CYS H . . 4.460 3.656 3.223 4.373 . 0 0 "[ . 1 . 2]" 1
466 1 29 ARG QG 1 31 VAL MG2 . . 5.190 5.100 4.560 5.201 0.011 9 0 "[ . 1 . 2]" 1
467 1 29 ARG QG 1 64 GLU QG . . 3.960 3.154 2.107 3.950 . 0 0 "[ . 1 . 2]" 1
468 1 30 CYS H 1 30 CYS HG . . 3.870 3.082 2.427 3.465 . 0 0 "[ . 1 . 2]" 1
469 1 30 CYS H 1 62 MET QG . . 4.760 3.393 2.317 4.521 . 0 0 "[ . 1 . 2]" 1
470 1 30 CYS H 1 63 LEU H . . 3.810 2.946 2.483 3.516 . 0 0 "[ . 1 . 2]" 1
471 1 30 CYS H 1 63 LEU QB . . 4.920 3.485 2.287 4.202 . 0 0 "[ . 1 . 2]" 1
472 1 30 CYS H 1 63 LEU QD . . 5.020 3.974 2.416 4.647 . 0 0 "[ . 1 . 2]" 1
473 1 30 CYS HA 1 31 VAL H . . 3.230 2.195 2.145 2.597 . 0 0 "[ . 1 . 2]" 1
474 1 30 CYS HA 1 31 VAL MG2 . . 4.220 3.593 3.436 3.769 . 0 0 "[ . 1 . 2]" 1
475 1 30 CYS HB2 1 31 VAL H . . 3.620 3.132 2.027 3.382 . 0 0 "[ . 1 . 2]" 1
476 1 30 CYS HB2 1 87 THR MG . . 4.610 4.326 4.049 4.610 . 0 0 "[ . 1 . 2]" 1
477 1 30 CYS HB3 1 31 VAL H . . 4.230 4.065 3.453 4.253 0.023 9 0 "[ . 1 . 2]" 1
478 1 30 CYS HB3 1 87 THR MG . . 4.780 4.425 4.161 4.761 . 0 0 "[ . 1 . 2]" 1
479 1 30 CYS HG 1 41 TRP HH2 . . 4.190 3.551 2.782 4.185 . 0 0 "[ . 1 . 2]" 1
480 1 30 CYS HG 1 41 TRP HZ2 . . 4.870 3.416 2.353 4.708 . 0 0 "[ . 1 . 2]" 1
481 1 30 CYS HG 1 63 LEU QB . . 4.470 2.504 2.056 3.171 . 0 0 "[ . 1 . 2]" 1
482 1 31 VAL H 1 31 VAL HB . . 4.160 2.581 2.484 2.853 . 0 0 "[ . 1 . 2]" 1
483 1 31 VAL H 1 31 VAL MG1 . . 4.210 3.822 3.771 3.913 . 0 0 "[ . 1 . 2]" 1
484 1 31 VAL H 1 31 VAL MG2 . . 3.800 2.645 2.429 3.149 . 0 0 "[ . 1 . 2]" 1
485 1 31 VAL HA 1 31 VAL MG1 . . 3.420 2.372 2.258 2.490 . 0 0 "[ . 1 . 2]" 1
486 1 31 VAL HA 1 31 VAL MG2 . . 3.490 2.360 2.250 2.481 . 0 0 "[ . 1 . 2]" 1
487 1 31 VAL HA 1 32 LEU H . . 3.030 2.184 2.141 2.249 . 0 0 "[ . 1 . 2]" 1
488 1 31 VAL HA 1 61 ALA MB . . 4.390 3.895 3.353 4.307 . 0 0 "[ . 1 . 2]" 1
489 1 31 VAL HA 1 62 MET HA . . 3.540 2.698 2.094 3.294 . 0 0 "[ . 1 . 2]" 1
490 1 31 VAL MG1 1 32 LEU H . . 3.490 2.330 1.916 2.758 . 0 0 "[ . 1 . 2]" 1
491 1 31 VAL MG1 1 32 LEU HA . . 4.370 3.820 3.559 4.094 . 0 0 "[ . 1 . 2]" 1
492 1 31 VAL MG1 1 61 ALA MB . . 3.090 2.581 2.106 3.068 . 0 0 "[ . 1 . 2]" 1
493 1 31 VAL MG1 1 62 MET HA . . 4.700 3.918 3.342 4.185 . 0 0 "[ . 1 . 2]" 1
494 1 31 VAL MG1 1 62 MET HB2 . . 4.920 3.937 3.040 4.671 . 0 0 "[ . 1 . 2]" 1
495 1 31 VAL MG2 1 32 LEU H . . 4.390 3.967 3.802 4.111 . 0 0 "[ . 1 . 2]" 1
496 1 31 VAL MG2 1 62 MET HA . . 3.610 3.216 2.650 3.543 . 0 0 "[ . 1 . 2]" 1
497 1 31 VAL MG2 1 62 MET HB2 . . 4.010 3.226 2.072 3.941 . 0 0 "[ . 1 . 2]" 1
498 1 31 VAL MG2 1 62 MET HG2 . . 4.110 3.483 2.540 4.105 . 0 0 "[ . 1 . 2]" 1
499 1 31 VAL MG2 1 62 MET HG3 . . 4.110 2.851 1.970 4.111 0.001 17 0 "[ . 1 . 2]" 1
500 1 32 LEU H 1 32 LEU HB2 . . 3.730 2.590 2.519 2.833 . 0 0 "[ . 1 . 2]" 1
501 1 32 LEU H 1 32 LEU MD1 . . 4.590 3.127 1.894 3.682 . 0 0 "[ . 1 . 2]" 1
502 1 32 LEU H 1 32 LEU QD . . 3.780 2.703 1.752 3.286 . 0 0 "[ . 1 . 2]" 1
503 1 32 LEU H 1 32 LEU MD2 . . 4.590 3.504 1.761 4.369 . 0 0 "[ . 1 . 2]" 1
504 1 32 LEU H 1 32 LEU HG . . 3.810 2.834 2.131 3.832 0.022 14 0 "[ . 1 . 2]" 1
505 1 32 LEU H 1 61 ALA MB . . 3.360 2.802 2.169 3.147 . 0 0 "[ . 1 . 2]" 1
506 1 32 LEU HA 1 32 LEU MD1 . . 4.460 3.568 1.969 3.978 . 0 0 "[ . 1 . 2]" 1
507 1 32 LEU HA 1 32 LEU QD . . 3.450 2.491 1.942 3.127 . 0 0 "[ . 1 . 2]" 1
508 1 32 LEU HA 1 32 LEU MD2 . . 4.460 2.755 2.115 3.609 . 0 0 "[ . 1 . 2]" 1
509 1 32 LEU HA 1 33 SER H . . 3.170 2.355 2.177 2.616 . 0 0 "[ . 1 . 2]" 1
510 1 32 LEU HA 1 34 SER H . . 4.420 4.156 3.919 4.349 . 0 0 "[ . 1 . 2]" 1
511 1 32 LEU HB2 1 33 SER H . . 4.430 3.589 3.116 3.982 . 0 0 "[ . 1 . 2]" 1
512 1 32 LEU HB2 1 34 SER H . . 3.620 2.989 2.310 3.542 . 0 0 "[ . 1 . 2]" 1
513 1 32 LEU HB2 1 36 ALA MB . . 5.500 4.395 3.165 5.303 . 0 0 "[ . 1 . 2]" 1
514 1 32 LEU HB2 1 61 ALA HA . . 4.250 3.599 2.682 4.250 . 0 0 "[ . 1 . 2]" 1
515 1 32 LEU HB2 1 61 ALA MB . . 3.470 2.913 2.324 3.258 . 0 0 "[ . 1 . 2]" 1
516 1 32 LEU HB3 1 33 SER H . . 3.970 2.586 2.038 3.120 . 0 0 "[ . 1 . 2]" 1
517 1 32 LEU HB3 1 34 SER H . . 3.340 2.935 2.683 3.214 . 0 0 "[ . 1 . 2]" 1
518 1 32 LEU HB3 1 36 ALA MB . . 4.920 4.463 3.173 4.909 . 0 0 "[ . 1 . 2]" 1
519 1 32 LEU HB3 1 61 ALA MB . . 4.640 4.346 3.766 4.639 . 0 0 "[ . 1 . 2]" 1
520 1 32 LEU QD 1 33 SER H . . 4.190 3.621 3.341 3.993 . 0 0 "[ . 1 . 2]" 1
521 1 32 LEU QD 1 34 SER H . . 4.640 3.970 3.719 4.138 . 0 0 "[ . 1 . 2]" 1
522 1 32 LEU QD 1 35 VAL HA . . 4.440 3.876 3.177 4.322 . 0 0 "[ . 1 . 2]" 1
523 1 32 LEU QD 1 36 ALA H . . 4.030 3.209 2.660 3.990 . 0 0 "[ . 1 . 2]" 1
524 1 32 LEU QD 1 36 ALA MB . . 4.680 3.164 1.896 4.325 . 0 0 "[ . 1 . 2]" 1
525 1 32 LEU QD 1 39 VAL QG . . 3.350 2.809 2.346 3.333 . 0 0 "[ . 1 . 2]" 1
526 1 32 LEU QD 1 61 ALA HA . . 4.060 2.976 2.404 3.657 . 0 0 "[ . 1 . 2]" 1
527 1 32 LEU QD 1 61 ALA MB . . 4.370 3.338 2.509 3.804 . 0 0 "[ . 1 . 2]" 1
528 1 32 LEU QD 1 63 LEU QD . . 2.800 1.946 1.745 2.391 . 0 0 "[ . 1 . 2]" 1
529 1 32 LEU QD 1 82 PHE QB . . 3.650 3.166 2.651 3.647 . 0 0 "[ . 1 . 2]" 1
530 1 32 LEU QD 1 82 PHE QE . . 4.420 2.583 1.934 3.252 . 0 0 "[ . 1 . 2]" 1
531 1 32 LEU MD1 1 63 LEU MD1 . . 4.930 3.529 2.349 4.925 . 0 0 "[ . 1 . 2]" 1
532 1 32 LEU MD1 1 63 LEU MD2 . . 4.930 2.295 1.764 3.489 . 0 0 "[ . 1 . 2]" 1
533 1 32 LEU MD2 1 63 LEU MD1 . . 4.930 4.223 2.674 4.921 . 0 0 "[ . 1 . 2]" 1
534 1 32 LEU MD2 1 63 LEU MD2 . . 4.930 2.909 1.796 4.436 . 0 0 "[ . 1 . 2]" 1
535 1 32 LEU HG 1 63 LEU QD . . 3.910 3.035 2.366 3.853 . 0 0 "[ . 1 . 2]" 1
536 1 33 SER H 1 33 SER HB2 . . 4.170 2.575 2.238 3.584 . 0 0 "[ . 1 . 2]" 1
537 1 33 SER H 1 33 SER QB . . 3.540 2.261 2.170 2.391 . 0 0 "[ . 1 . 2]" 1
538 1 33 SER H 1 33 SER HB3 . . 4.170 2.747 2.370 3.600 . 0 0 "[ . 1 . 2]" 1
539 1 33 SER H 1 34 SER H . . 3.700 2.764 2.534 2.998 . 0 0 "[ . 1 . 2]" 1
540 1 33 SER QB 1 34 SER H . . 4.370 2.893 2.508 3.630 . 0 0 "[ . 1 . 2]" 1
541 1 34 SER H 1 61 ALA MB . . 4.450 3.786 3.147 4.289 . 0 0 "[ . 1 . 2]" 1
542 1 34 SER HA 1 35 VAL H . . 3.120 2.394 2.139 2.620 . 0 0 "[ . 1 . 2]" 1
543 1 34 SER HA 1 35 VAL QG . . 4.390 3.503 3.236 3.752 . 0 0 "[ . 1 . 2]" 1
544 1 34 SER HA 1 61 ALA MB . . 4.110 3.342 2.700 3.910 . 0 0 "[ . 1 . 2]" 1
545 1 34 SER QB 1 35 VAL H . . 3.420 2.755 2.099 3.402 . 0 0 "[ . 1 . 2]" 1
546 1 34 SER HB2 1 35 VAL H . . 4.230 3.677 2.245 4.191 . 0 0 "[ . 1 . 2]" 1
547 1 34 SER HB3 1 35 VAL H . . 4.230 3.001 2.129 3.700 . 0 0 "[ . 1 . 2]" 1
548 1 35 VAL H 1 35 VAL HB . . 3.280 2.632 2.482 2.765 . 0 0 "[ . 1 . 2]" 1
549 1 35 VAL H 1 35 VAL MG1 . . 4.080 3.241 1.879 3.819 . 0 0 "[ . 1 . 2]" 1
550 1 35 VAL H 1 35 VAL QG . . 3.020 2.107 1.874 2.512 . 0 0 "[ . 1 . 2]" 1
551 1 35 VAL H 1 35 VAL MG2 . . 4.080 2.656 1.896 3.780 . 0 0 "[ . 1 . 2]" 1
552 1 35 VAL H 1 36 ALA H . . 4.720 4.328 3.876 4.597 . 0 0 "[ . 1 . 2]" 1
553 1 35 VAL H 1 61 ALA MB . . 3.860 3.103 2.198 3.805 . 0 0 "[ . 1 . 2]" 1
554 1 35 VAL HA 1 35 VAL MG1 . . 3.410 2.570 2.218 3.193 . 0 0 "[ . 1 . 2]" 1
555 1 35 VAL HA 1 35 VAL QG . . 2.980 2.174 2.063 2.367 . 0 0 "[ . 1 . 2]" 1
556 1 35 VAL HA 1 35 VAL MG2 . . 3.410 2.430 2.307 2.542 . 0 0 "[ . 1 . 2]" 1
557 1 35 VAL HA 1 36 ALA H . . 2.970 2.181 2.140 2.295 . 0 0 "[ . 1 . 2]" 1
558 1 35 VAL HA 1 36 ALA MB . . 4.580 4.056 3.857 4.187 . 0 0 "[ . 1 . 2]" 1
559 1 35 VAL HA 1 61 ALA HA . . 3.580 2.539 2.009 3.036 . 0 0 "[ . 1 . 2]" 1
560 1 35 VAL HA 1 61 ALA MB . . 3.920 2.358 1.916 2.952 . 0 0 "[ . 1 . 2]" 1
561 1 35 VAL HB 1 36 ALA H . . 4.760 4.300 3.988 4.472 . 0 0 "[ . 1 . 2]" 1
562 1 35 VAL QG 1 36 ALA H . . 3.520 2.869 2.235 3.273 . 0 0 "[ . 1 . 2]" 1
563 1 35 VAL QG 1 36 ALA HA . . 4.240 3.573 3.111 3.882 . 0 0 "[ . 1 . 2]" 1
564 1 35 VAL QG 1 58 GLN QE . . 3.850 2.786 1.931 3.768 . 0 0 "[ . 1 . 2]" 1
565 1 35 VAL QG 1 60 GLY QA . . 3.180 2.232 1.927 2.890 . 0 0 "[ . 1 . 2]" 1
566 1 35 VAL QG 1 61 ALA H . . 3.620 2.347 1.826 3.459 . 0 0 "[ . 1 . 2]" 1
567 1 35 VAL QG 1 61 ALA HA . . 3.870 3.183 2.762 3.618 . 0 0 "[ . 1 . 2]" 1
568 1 35 VAL QG 1 61 ALA MB . . 3.340 2.376 1.758 3.159 . 0 0 "[ . 1 . 2]" 1
569 1 35 VAL MG1 1 36 ALA H . . 4.290 3.390 2.795 4.222 . 0 0 "[ . 1 . 2]" 1
570 1 35 VAL MG1 1 60 GLY HA2 . . 4.210 2.772 2.004 3.475 . 0 0 "[ . 1 . 2]" 1
571 1 35 VAL MG1 1 60 GLY HA3 . . 4.210 3.994 3.502 4.213 0.003 16 0 "[ . 1 . 2]" 1
572 1 35 VAL MG1 1 61 ALA H . . 4.860 3.076 1.915 4.601 . 0 0 "[ . 1 . 2]" 1
573 1 35 VAL MG1 1 61 ALA HA . . 4.560 3.780 2.895 4.558 . 0 0 "[ . 1 . 2]" 1
574 1 35 VAL MG1 1 61 ALA MB . . 4.510 3.316 2.987 4.007 . 0 0 "[ . 1 . 2]" 1
575 1 35 VAL MG2 1 36 ALA H . . 4.290 3.755 2.245 4.304 0.014 13 0 "[ . 1 . 2]" 1
576 1 35 VAL MG2 1 60 GLY HA2 . . 4.210 2.644 1.985 3.753 . 0 0 "[ . 1 . 2]" 1
577 1 35 VAL MG2 1 60 GLY HA3 . . 4.210 3.640 2.718 4.158 . 0 0 "[ . 1 . 2]" 1
578 1 35 VAL MG2 1 61 ALA H . . 4.860 2.735 1.837 3.664 . 0 0 "[ . 1 . 2]" 1
579 1 35 VAL MG2 1 61 ALA HA . . 4.560 3.559 2.928 4.206 . 0 0 "[ . 1 . 2]" 1
580 1 35 VAL MG2 1 61 ALA MB . . 4.510 2.579 1.764 3.893 . 0 0 "[ . 1 . 2]" 1
581 1 36 ALA H 1 36 ALA MB . . 3.520 2.543 2.248 2.795 . 0 0 "[ . 1 . 2]" 1
582 1 36 ALA H 1 58 GLN QE . . 4.490 3.576 2.441 4.462 . 0 0 "[ . 1 . 2]" 1
583 1 36 ALA H 1 61 ALA HA . . 4.390 3.488 2.791 4.237 . 0 0 "[ . 1 . 2]" 1
584 1 36 ALA H 1 82 PHE HZ . . 5.500 4.223 1.899 5.500 . 0 0 "[ . 1 . 2]" 1
585 1 36 ALA HA 1 37 ALA H . . 3.070 2.296 2.141 3.052 . 0 0 "[ . 1 . 2]" 1
586 1 36 ALA MB 1 37 ALA H . . 3.540 2.994 2.637 3.542 0.002 12 0 "[ . 1 . 2]" 1
587 1 36 ALA MB 1 37 ALA MB . . 4.770 4.196 4.079 4.626 . 0 0 "[ . 1 . 2]" 1
588 1 36 ALA MB 1 82 PHE QD . . 4.970 3.814 3.488 4.103 . 0 0 "[ . 1 . 2]" 1
589 1 36 ALA MB 1 82 PHE QE . . 3.930 2.107 1.824 2.579 . 0 0 "[ . 1 . 2]" 1
590 1 36 ALA MB 1 82 PHE HZ . . 3.820 2.030 1.879 2.402 . 0 0 "[ . 1 . 2]" 1
591 1 37 ALA H 1 37 ALA MB . . 3.400 2.729 2.033 2.867 . 0 0 "[ . 1 . 2]" 1
592 1 37 ALA HA 1 38 PRO HA . . 3.200 2.592 2.591 2.600 . 0 0 "[ . 1 . 2]" 1
593 1 37 ALA HA 1 39 VAL H . . 4.090 3.574 3.156 3.770 . 0 0 "[ . 1 . 2]" 1
594 1 37 ALA HA 1 39 VAL QG . . 4.190 2.609 2.160 4.081 . 0 0 "[ . 1 . 2]" 1
595 1 37 ALA MB 1 38 PRO HA . . 2.960 1.889 1.877 1.908 . 0 0 "[ . 1 . 2]" 1
596 1 37 ALA MB 1 38 PRO HB2 . . 4.390 4.161 4.157 4.168 . 0 0 "[ . 1 . 2]" 1
597 1 37 ALA MB 1 38 PRO QB . . 3.780 3.341 3.320 3.377 . 0 0 "[ . 1 . 2]" 1
598 1 37 ALA MB 1 38 PRO HB3 . . 4.390 3.520 3.490 3.572 . 0 0 "[ . 1 . 2]" 1
599 1 37 ALA MB 1 39 VAL H . . 3.950 3.323 2.836 3.539 . 0 0 "[ . 1 . 2]" 1
600 1 37 ALA MB 1 58 GLN QE . . 3.610 2.491 1.767 3.576 . 0 0 "[ . 1 . 2]" 1
601 1 38 PRO HA 1 39 VAL H . . 3.150 2.436 2.260 2.535 . 0 0 "[ . 1 . 2]" 1
602 1 38 PRO HA 1 39 VAL QG . . 4.640 3.277 3.104 3.776 . 0 0 "[ . 1 . 2]" 1
603 1 38 PRO QB 1 39 VAL H . . 3.530 2.469 2.255 2.879 . 0 0 "[ . 1 . 2]" 1
604 1 38 PRO HB2 1 39 VAL H . . 4.180 2.536 2.296 3.009 . 0 0 "[ . 1 . 2]" 1
605 1 38 PRO HB3 1 39 VAL H . . 4.180 3.420 3.302 3.671 . 0 0 "[ . 1 . 2]" 1
606 1 39 VAL H 1 39 VAL MG1 . . 3.870 3.450 2.023 3.901 0.031 10 0 "[ . 1 . 2]" 1
607 1 39 VAL H 1 39 VAL QG . . 3.110 2.328 1.931 2.792 . 0 0 "[ . 1 . 2]" 1
608 1 39 VAL H 1 39 VAL MG2 . . 3.870 2.535 1.956 3.844 . 0 0 "[ . 1 . 2]" 1
609 1 39 VAL HA 1 40 LYS H . . 3.220 2.361 2.204 2.541 . 0 0 "[ . 1 . 2]" 1
610 1 39 VAL HA 1 82 PHE HA . . 4.870 4.714 4.282 4.869 . 0 0 "[ . 1 . 2]" 1
611 1 39 VAL HA 1 82 PHE QD . . 4.060 3.215 2.595 3.920 . 0 0 "[ . 1 . 2]" 1
612 1 39 VAL HB 1 40 LYS H . . 3.860 3.269 2.089 3.860 . 0 0 "[ . 1 . 2]" 1
613 1 39 VAL HB 1 80 CYS HG . . 4.560 4.280 3.680 4.563 0.003 17 0 "[ . 1 . 2]" 1
614 1 39 VAL QG 1 41 TRP HD1 . . 3.650 3.040 2.172 3.649 . 0 0 "[ . 1 . 2]" 1
615 1 39 VAL QG 1 41 TRP HE1 . . 3.690 2.943 2.031 3.689 . 0 0 "[ . 1 . 2]" 1
616 1 39 VAL QG 1 63 LEU HG . . 3.710 2.729 1.985 3.694 . 0 0 "[ . 1 . 2]" 1
617 1 39 VAL QG 1 80 CYS HG . . 3.830 2.632 1.887 3.800 . 0 0 "[ . 1 . 2]" 1
618 1 39 VAL QG 1 82 PHE HA . . 5.130 3.991 3.314 5.063 . 0 0 "[ . 1 . 2]" 1
619 1 39 VAL QG 1 82 PHE QB . . 3.450 2.837 1.947 3.450 . 0 0 "[ . 1 . 2]" 1
620 1 39 VAL QG 1 82 PHE QD . . 3.560 2.613 1.837 3.352 . 0 0 "[ . 1 . 2]" 1
621 1 39 VAL QG 1 82 PHE HZ . . 5.440 4.093 2.759 5.182 . 0 0 "[ . 1 . 2]" 1
622 1 39 VAL MG1 1 40 LYS H . . 4.320 2.543 1.770 3.934 . 0 0 "[ . 1 . 2]" 1
623 1 39 VAL MG1 1 41 TRP HE1 . . 4.920 3.553 2.085 4.752 . 0 0 "[ . 1 . 2]" 1
624 1 39 VAL MG1 1 63 LEU HG . . 4.540 3.139 2.037 4.494 . 0 0 "[ . 1 . 2]" 1
625 1 39 VAL MG2 1 40 LYS H . . 4.320 3.570 1.884 4.142 . 0 0 "[ . 1 . 2]" 1
626 1 39 VAL MG2 1 41 TRP HE1 . . 4.920 3.695 2.036 4.677 . 0 0 "[ . 1 . 2]" 1
627 1 39 VAL MG2 1 63 LEU HG . . 4.540 3.156 2.046 4.098 . 0 0 "[ . 1 . 2]" 1
628 1 40 LYS H 1 40 LYS QB . . 3.700 2.448 2.356 2.581 . 0 0 "[ . 1 . 2]" 1
629 1 40 LYS H 1 81 SER H . . 4.910 4.770 4.445 4.912 0.002 14 0 "[ . 1 . 2]" 1
630 1 40 LYS QB 1 40 LYS QE . . 3.890 3.420 2.316 3.774 . 0 0 "[ . 1 . 2]" 1
631 1 40 LYS QB 1 41 TRP H . . 4.510 3.716 3.508 3.928 . 0 0 "[ . 1 . 2]" 1
632 1 40 LYS QB 1 47 VAL QG . . 5.150 4.593 4.171 5.132 . 0 0 "[ . 1 . 2]" 1
633 1 40 LYS QB 1 81 SER H . . 4.520 3.771 3.343 4.408 . 0 0 "[ . 1 . 2]" 1
634 1 40 LYS QB 1 81 SER HB2 . . 4.470 3.679 2.295 4.437 . 0 0 "[ . 1 . 2]" 1
635 1 40 LYS QB 1 81 SER QB . . 3.780 2.834 2.274 3.737 . 0 0 "[ . 1 . 2]" 1
636 1 40 LYS QB 1 81 SER HB3 . . 4.470 3.370 2.423 4.415 . 0 0 "[ . 1 . 2]" 1
637 1 40 LYS QD 1 47 VAL QG . . 3.930 3.487 2.014 3.934 0.004 20 0 "[ . 1 . 2]" 1
638 1 40 LYS QE 1 47 VAL MG1 . . 4.350 3.504 2.197 4.251 . 0 0 "[ . 1 . 2]" 1
639 1 40 LYS QE 1 47 VAL QG . . 3.700 2.508 2.093 3.127 . 0 0 "[ . 1 . 2]" 1
640 1 40 LYS QE 1 47 VAL MG2 . . 4.350 2.794 2.098 3.964 . 0 0 "[ . 1 . 2]" 1
641 1 40 LYS QG 1 41 TRP H . . 4.560 2.751 2.198 3.331 . 0 0 "[ . 1 . 2]" 1
642 1 40 LYS QG 1 47 VAL QG . . 3.590 3.001 2.389 3.570 . 0 0 "[ . 1 . 2]" 1
643 1 41 TRP H 1 41 TRP QB . . 3.570 2.361 2.216 2.498 . 0 0 "[ . 1 . 2]" 1
644 1 41 TRP HA 1 41 TRP HE3 . . 4.440 3.541 3.071 4.211 . 0 0 "[ . 1 . 2]" 1
645 1 41 TRP HA 1 42 CYS H . . 3.150 2.237 2.141 2.385 . 0 0 "[ . 1 . 2]" 1
646 1 41 TRP HA 1 80 CYS HA . . 3.540 2.887 2.247 3.537 . 0 0 "[ . 1 . 2]" 1
647 1 41 TRP HA 1 81 SER H . . 4.500 3.431 2.712 4.111 . 0 0 "[ . 1 . 2]" 1
648 1 41 TRP QB 1 48 LEU QB . . 4.150 2.271 1.940 2.912 . 0 0 "[ . 1 . 2]" 1
649 1 41 TRP QB 1 48 LEU MD1 . . 3.490 2.350 1.988 2.696 . 0 0 "[ . 1 . 2]" 1
650 1 41 TRP QB 1 56 LEU QD . . 4.060 2.624 2.005 3.429 . 0 0 "[ . 1 . 2]" 1
651 1 41 TRP QB 1 65 LEU MD1 . . 4.620 3.779 2.941 4.522 . 0 0 "[ . 1 . 2]" 1
652 1 41 TRP HB2 1 48 LEU MD1 . . 4.030 3.633 2.905 4.013 . 0 0 "[ . 1 . 2]" 1
653 1 41 TRP HB3 1 48 LEU MD1 . . 4.030 2.385 1.998 2.745 . 0 0 "[ . 1 . 2]" 1
654 1 41 TRP HD1 1 56 LEU QD . . 3.450 2.501 2.041 2.937 . 0 0 "[ . 1 . 2]" 1
655 1 41 TRP HD1 1 56 LEU HG . . 5.240 4.782 3.938 5.245 0.005 20 0 "[ . 1 . 2]" 1
656 1 41 TRP HE1 1 56 LEU QD . . 4.600 3.037 2.136 3.916 . 0 0 "[ . 1 . 2]" 1
657 1 41 TRP HE1 1 63 LEU QB . . 4.340 2.893 2.316 4.187 . 0 0 "[ . 1 . 2]" 1
658 1 41 TRP HE1 1 63 LEU MD1 . . 5.310 3.013 2.308 3.617 . 0 0 "[ . 1 . 2]" 1
659 1 41 TRP HE1 1 63 LEU QD . . 4.590 2.886 2.140 3.381 . 0 0 "[ . 1 . 2]" 1
660 1 41 TRP HE1 1 63 LEU MD2 . . 5.310 4.282 2.533 5.159 . 0 0 "[ . 1 . 2]" 1
661 1 41 TRP HE1 1 80 CYS HG . . 4.950 4.063 3.246 4.890 . 0 0 "[ . 1 . 2]" 1
662 1 41 TRP HE3 1 48 LEU MD1 . . 4.750 2.591 1.981 3.746 . 0 0 "[ . 1 . 2]" 1
663 1 41 TRP HE3 1 65 LEU MD2 . . 3.970 2.752 2.051 3.429 . 0 0 "[ . 1 . 2]" 1
664 1 41 TRP HZ2 1 63 LEU HA . . 4.680 4.483 3.881 4.680 0.000 17 0 "[ . 1 . 2]" 1
665 1 41 TRP HZ2 1 63 LEU HB2 . . 4.000 2.880 2.155 3.678 . 0 0 "[ . 1 . 2]" 1
666 1 41 TRP HZ2 1 63 LEU QB . . 3.470 2.094 1.972 2.369 . 0 0 "[ . 1 . 2]" 1
667 1 41 TRP HZ2 1 63 LEU HB3 . . 4.000 2.195 2.003 2.578 . 0 0 "[ . 1 . 2]" 1
668 1 41 TRP HZ2 1 63 LEU MD1 . . 4.660 3.775 2.393 4.581 . 0 0 "[ . 1 . 2]" 1
669 1 41 TRP HZ2 1 63 LEU MD2 . . 4.660 4.248 3.580 4.607 . 0 0 "[ . 1 . 2]" 1
670 1 41 TRP HZ2 1 63 LEU HG . . 5.140 3.644 3.111 5.122 . 0 0 "[ . 1 . 2]" 1
671 1 41 TRP HZ2 1 64 GLU H . . 4.510 3.857 2.882 4.414 . 0 0 "[ . 1 . 2]" 1
672 1 41 TRP HZ2 1 64 GLU HA . . 4.710 4.512 3.813 4.711 0.001 16 0 "[ . 1 . 2]" 1
673 1 41 TRP HZ2 1 65 LEU H . . 4.700 4.366 3.896 4.700 . 0 0 "[ . 1 . 2]" 1
674 1 41 TRP HZ3 1 65 LEU MD2 . . 4.710 2.349 1.997 3.052 . 0 0 "[ . 1 . 2]" 1
675 1 42 CYS H 1 80 CYS HA . . 4.510 2.960 2.415 3.528 . 0 0 "[ . 1 . 2]" 1
676 1 42 CYS HA 1 43 TYR H . . 3.200 2.183 2.139 2.304 . 0 0 "[ . 1 . 2]" 1
677 1 42 CYS HA 1 47 VAL HA . . 3.740 2.686 2.172 3.572 . 0 0 "[ . 1 . 2]" 1
678 1 42 CYS HA 1 47 VAL QG . . 4.730 3.156 2.067 4.663 . 0 0 "[ . 1 . 2]" 1
679 1 42 CYS HA 1 48 LEU H . . 4.080 2.773 1.897 3.978 . 0 0 "[ . 1 . 2]" 1
680 1 42 CYS HA 1 48 LEU MD1 . . 4.320 3.827 2.688 4.314 . 0 0 "[ . 1 . 2]" 1
681 1 42 CYS HA 1 48 LEU MD2 . . 5.170 4.717 3.982 5.160 . 0 0 "[ . 1 . 2]" 1
682 1 42 CYS HA 1 48 LEU HG . . 3.800 3.331 2.325 3.798 . 0 0 "[ . 1 . 2]" 1
683 1 42 CYS QB 1 43 TYR H . . 3.940 3.245 2.707 3.826 . 0 0 "[ . 1 . 2]" 1
684 1 42 CYS HB2 1 43 TYR H . . 4.500 3.681 2.751 4.460 . 0 0 "[ . 1 . 2]" 1
685 1 42 CYS HB3 1 43 TYR H . . 4.500 3.962 3.175 4.338 . 0 0 "[ . 1 . 2]" 1
686 1 43 TYR H 1 43 TYR QB . . 3.390 2.552 2.359 2.694 . 0 0 "[ . 1 . 2]" 1
687 1 43 TYR H 1 48 LEU MD1 . . 4.470 3.585 3.026 4.217 . 0 0 "[ . 1 . 2]" 1
688 1 43 TYR H 1 48 LEU MD2 . . 4.230 3.860 3.459 4.201 . 0 0 "[ . 1 . 2]" 1
689 1 43 TYR H 1 48 LEU HG . . 4.310 2.907 2.329 3.598 . 0 0 "[ . 1 . 2]" 1
690 1 43 TYR QB 1 48 LEU MD1 . . 3.730 2.026 1.825 2.238 . 0 0 "[ . 1 . 2]" 1
691 1 43 TYR QB 1 48 LEU MD2 . . 3.380 2.303 1.849 2.909 . 0 0 "[ . 1 . 2]" 1
692 1 43 TYR QD 1 44 GLY H . . 4.060 3.339 2.704 3.722 . 0 0 "[ . 1 . 2]" 1
693 1 43 TYR QD 1 48 LEU MD2 . . 4.810 2.602 1.976 3.544 . 0 0 "[ . 1 . 2]" 1
694 1 43 TYR QE 1 76 GLY QA . . 4.030 3.173 2.113 3.921 . 0 0 "[ . 1 . 2]" 1
695 1 43 TYR QE 1 77 ARG H . . 4.760 3.195 1.970 4.658 . 0 0 "[ . 1 . 2]" 1
696 1 45 ASN QB 1 46 ASN H . . 4.120 2.668 1.967 4.040 . 0 0 "[ . 1 . 2]" 1
697 1 46 ASN H 1 46 ASN HB2 . . 4.160 2.761 2.207 3.639 . 0 0 "[ . 1 . 2]" 1
698 1 46 ASN H 1 46 ASN QB . . 3.320 2.485 2.185 2.981 . 0 0 "[ . 1 . 2]" 1
699 1 46 ASN H 1 46 ASN HB3 . . 4.160 3.253 2.466 4.009 . 0 0 "[ . 1 . 2]" 1
700 1 46 ASN QB 1 47 VAL H . . 3.800 2.832 1.951 3.656 . 0 0 "[ . 1 . 2]" 1
701 1 46 ASN HB2 1 47 VAL H . . 4.540 3.674 2.284 4.508 . 0 0 "[ . 1 . 2]" 1
702 1 46 ASN HB3 1 47 VAL H . . 4.540 3.131 1.966 4.049 . 0 0 "[ . 1 . 2]" 1
703 1 47 VAL H 1 47 VAL HB . . 3.230 2.661 2.416 3.229 . 0 0 "[ . 1 . 2]" 1
704 1 47 VAL H 1 47 VAL MG1 . . 4.370 2.985 1.881 3.862 . 0 0 "[ . 1 . 2]" 1
705 1 47 VAL H 1 47 VAL QG . . 3.040 2.289 1.862 2.683 . 0 0 "[ . 1 . 2]" 1
706 1 47 VAL H 1 47 VAL MG2 . . 4.370 3.138 1.866 3.979 . 0 0 "[ . 1 . 2]" 1
707 1 47 VAL HA 1 47 VAL MG1 . . 3.340 2.768 2.217 3.201 . 0 0 "[ . 1 . 2]" 1
708 1 47 VAL HA 1 47 VAL MG2 . . 3.340 2.315 2.152 2.529 . 0 0 "[ . 1 . 2]" 1
709 1 47 VAL HA 1 48 LEU H . . 3.140 2.188 2.140 2.285 . 0 0 "[ . 1 . 2]" 1
710 1 47 VAL HA 1 48 LEU MD1 . . 5.280 4.975 4.546 5.245 . 0 0 "[ . 1 . 2]" 1
711 1 47 VAL HA 1 48 LEU HG . . 4.320 3.794 3.466 4.218 . 0 0 "[ . 1 . 2]" 1
712 1 47 VAL QG 1 48 LEU H . . 3.560 2.304 1.874 2.779 . 0 0 "[ . 1 . 2]" 1
713 1 47 VAL QG 1 49 ARG QD . . 4.150 3.392 2.811 4.147 . 0 0 "[ . 1 . 2]" 1
714 1 47 VAL QG 1 49 ARG QG . . 3.780 2.583 1.940 2.906 . 0 0 "[ . 1 . 2]" 1
715 1 47 VAL MG1 1 48 LEU H . . 4.600 3.068 2.034 3.965 . 0 0 "[ . 1 . 2]" 1
716 1 47 VAL MG1 1 49 ARG QG . . 4.700 2.659 2.264 3.093 . 0 0 "[ . 1 . 2]" 1
717 1 47 VAL MG2 1 48 LEU H . . 4.600 3.124 1.880 4.130 . 0 0 "[ . 1 . 2]" 1
718 1 47 VAL MG2 1 49 ARG QG . . 4.700 3.984 2.110 4.699 . 0 0 "[ . 1 . 2]" 1
719 1 48 LEU H 1 48 LEU MD1 . . 3.780 3.580 3.257 3.720 . 0 0 "[ . 1 . 2]" 1
720 1 48 LEU H 1 48 LEU MD2 . . 4.160 3.536 2.965 3.978 . 0 0 "[ . 1 . 2]" 1
721 1 48 LEU H 1 48 LEU HG . . 3.540 2.392 1.962 2.941 . 0 0 "[ . 1 . 2]" 1
722 1 48 LEU HA 1 48 LEU MD1 . . 4.380 3.908 3.851 3.991 . 0 0 "[ . 1 . 2]" 1
723 1 48 LEU HA 1 48 LEU MD2 . . 3.230 2.217 2.007 2.478 . 0 0 "[ . 1 . 2]" 1
724 1 48 LEU HA 1 49 ARG H . . 3.070 2.203 2.140 2.285 . 0 0 "[ . 1 . 2]" 1
725 1 48 LEU HA 1 49 ARG HB2 . . 5.410 4.494 4.296 4.633 . 0 0 "[ . 1 . 2]" 1
726 1 48 LEU HA 1 49 ARG QG . . 5.500 3.811 3.393 4.374 . 0 0 "[ . 1 . 2]" 1
727 1 48 LEU QB 1 49 ARG H . . 4.080 3.035 2.665 3.715 . 0 0 "[ . 1 . 2]" 1
728 1 48 LEU MD1 1 54 TYR QD . . 4.550 4.055 3.388 4.522 . 0 0 "[ . 1 . 2]" 1
729 1 48 LEU MD1 1 54 TYR QE . . 4.360 3.891 3.239 4.286 . 0 0 "[ . 1 . 2]" 1
730 1 48 LEU MD1 1 78 TYR QB . . 5.500 4.254 2.375 5.212 . 0 0 "[ . 1 . 2]" 1
731 1 48 LEU MD1 1 78 TYR QD . . 4.140 3.218 2.247 4.044 . 0 0 "[ . 1 . 2]" 1
732 1 48 LEU MD1 1 78 TYR QE . . 4.560 3.681 2.464 4.560 0.000 16 0 "[ . 1 . 2]" 1
733 1 48 LEU MD2 1 49 ARG H . . 4.130 3.561 3.045 4.040 . 0 0 "[ . 1 . 2]" 1
734 1 48 LEU MD2 1 54 TYR QB . . 4.880 4.203 3.518 4.853 . 0 0 "[ . 1 . 2]" 1
735 1 48 LEU MD2 1 54 TYR QD . . 4.540 3.331 2.829 3.926 . 0 0 "[ . 1 . 2]" 1
736 1 48 LEU MD2 1 54 TYR QE . . 3.900 2.654 2.065 3.215 . 0 0 "[ . 1 . 2]" 1
737 1 49 ARG H 1 49 ARG HB2 . . 3.660 2.643 2.402 2.850 . 0 0 "[ . 1 . 2]" 1
738 1 49 ARG H 1 49 ARG QG . . 4.000 3.024 2.547 3.394 . 0 0 "[ . 1 . 2]" 1
739 1 49 ARG H 1 54 TYR QD . . 4.490 3.922 3.001 4.483 . 0 0 "[ . 1 . 2]" 1
740 1 49 ARG HA 1 49 ARG QG . . 3.680 2.446 2.286 2.632 . 0 0 "[ . 1 . 2]" 1
741 1 49 ARG HA 1 50 PRO HD2 . . 3.420 2.317 2.219 2.424 . 0 0 "[ . 1 . 2]" 1
742 1 49 ARG HA 1 50 PRO QD . . 2.940 2.044 1.992 2.103 . 0 0 "[ . 1 . 2]" 1
743 1 49 ARG HA 1 50 PRO HD3 . . 3.420 2.274 2.254 2.308 . 0 0 "[ . 1 . 2]" 1
744 1 49 ARG HA 1 56 LEU MD1 . . 5.060 3.683 2.512 5.018 . 0 0 "[ . 1 . 2]" 1
745 1 49 ARG HA 1 56 LEU QD . . 3.900 3.234 2.406 3.714 . 0 0 "[ . 1 . 2]" 1
746 1 49 ARG HA 1 56 LEU MD2 . . 5.060 4.079 2.818 5.047 . 0 0 "[ . 1 . 2]" 1
747 1 49 ARG HB2 1 49 ARG QD . . 3.450 2.665 2.161 3.472 0.022 7 0 "[ . 1 . 2]" 1
748 1 49 ARG HB2 1 50 PRO QD . . 4.340 3.614 3.452 3.795 . 0 0 "[ . 1 . 2]" 1
749 1 49 ARG HB3 1 49 ARG QD . . 3.710 2.598 2.249 3.056 . 0 0 "[ . 1 . 2]" 1
750 1 49 ARG HB3 1 50 PRO HD2 . . 4.050 2.215 2.006 2.474 . 0 0 "[ . 1 . 2]" 1
751 1 49 ARG HB3 1 50 PRO QD . . 3.500 2.196 1.993 2.446 . 0 0 "[ . 1 . 2]" 1
752 1 49 ARG HB3 1 50 PRO HD3 . . 4.050 3.631 3.456 3.843 . 0 0 "[ . 1 . 2]" 1
753 1 49 ARG QG 1 50 PRO HD2 . . 4.510 3.322 2.721 3.770 . 0 0 "[ . 1 . 2]" 1
754 1 49 ARG QG 1 50 PRO QD . . 3.950 3.184 2.644 3.588 . 0 0 "[ . 1 . 2]" 1
755 1 49 ARG QG 1 50 PRO HD3 . . 4.510 4.095 3.594 4.499 . 0 0 "[ . 1 . 2]" 1
756 1 50 PRO HA 1 51 GLY H . . 2.840 2.215 2.159 2.336 . 0 0 "[ . 1 . 2]" 1
757 1 50 PRO HA 1 54 TYR QB . . 4.170 3.210 2.679 3.635 . 0 0 "[ . 1 . 2]" 1
758 1 50 PRO HA 1 55 SER HA . . 4.510 3.600 2.380 4.317 . 0 0 "[ . 1 . 2]" 1
759 1 50 PRO HA 1 56 LEU QD . . 3.580 2.443 1.911 3.463 . 0 0 "[ . 1 . 2]" 1
760 1 50 PRO QB 1 51 GLY H . . 3.530 3.061 2.702 3.315 . 0 0 "[ . 1 . 2]" 1
761 1 50 PRO QB 1 55 SER HA . . 4.360 3.871 2.504 4.359 . 0 0 "[ . 1 . 2]" 1
762 1 50 PRO QB 1 56 LEU QD . . 3.790 2.402 1.818 2.866 . 0 0 "[ . 1 . 2]" 1
763 1 50 PRO HB2 1 51 GLY H . . 4.030 3.228 2.800 3.537 . 0 0 "[ . 1 . 2]" 1
764 1 50 PRO HB2 1 56 LEU H . . 4.780 3.923 3.192 4.402 . 0 0 "[ . 1 . 2]" 1
765 1 50 PRO HB3 1 51 GLY H . . 4.030 3.808 3.554 4.005 . 0 0 "[ . 1 . 2]" 1
766 1 50 PRO HB3 1 56 LEU H . . 4.780 2.913 2.024 3.406 . 0 0 "[ . 1 . 2]" 1
767 1 50 PRO QD 1 56 LEU QD . . 3.480 2.508 1.854 3.289 . 0 0 "[ . 1 . 2]" 1
768 1 50 PRO QG 1 56 LEU H . . 5.200 4.786 3.840 5.203 0.003 17 0 "[ . 1 . 2]" 1
769 1 50 PRO QG 1 56 LEU QB . . 4.290 3.573 2.669 4.239 . 0 0 "[ . 1 . 2]" 1
770 1 50 PRO QG 1 56 LEU QD . . 4.260 3.329 2.735 4.039 . 0 0 "[ . 1 . 2]" 1
771 1 51 GLY H 1 54 TYR H . . 3.980 3.774 3.493 3.981 0.001 17 0 "[ . 1 . 2]" 1
772 1 51 GLY H 1 54 TYR QB . . 4.430 3.663 3.190 4.433 0.003 20 0 "[ . 1 . 2]" 1
773 1 51 GLY QA 1 54 TYR H . . 4.630 4.110 3.634 4.416 . 0 0 "[ . 1 . 2]" 1
774 1 53 LYS H 1 54 TYR H . . 3.620 2.722 2.296 2.937 . 0 0 "[ . 1 . 2]" 1
775 1 53 LYS HA 1 53 LYS QD . . 3.300 2.464 1.994 3.225 . 0 0 "[ . 1 . 2]" 1
776 1 53 LYS HA 1 68 ARG H . . 5.010 4.644 3.985 5.007 . 0 0 "[ . 1 . 2]" 1
777 1 53 LYS HA 1 68 ARG QB . . 4.610 3.966 3.233 4.499 . 0 0 "[ . 1 . 2]" 1
778 1 53 LYS QB 1 54 TYR H . . 3.470 2.431 2.036 2.913 . 0 0 "[ . 1 . 2]" 1
779 1 53 LYS QB 1 54 TYR QD . . 5.040 2.943 2.324 3.854 . 0 0 "[ . 1 . 2]" 1
780 1 53 LYS HB2 1 54 TYR H . . 3.990 3.514 2.539 3.953 . 0 0 "[ . 1 . 2]" 1
781 1 53 LYS HB3 1 54 TYR H . . 3.990 2.579 2.050 3.354 . 0 0 "[ . 1 . 2]" 1
782 1 53 LYS QE 1 53 LYS QG . . 3.340 2.246 2.044 2.607 . 0 0 "[ . 1 . 2]" 1
783 1 53 LYS QE 1 67 VAL QG . . 3.570 3.315 2.594 3.567 . 0 0 "[ . 1 . 2]" 1
784 1 53 LYS QG 1 54 TYR QE . . 4.460 3.452 2.354 4.362 . 0 0 "[ . 1 . 2]" 1
785 1 53 LYS HG2 1 54 TYR QE . . 5.340 4.054 2.400 5.340 . 0 0 "[ . 1 . 2]" 1
786 1 53 LYS HG3 1 54 TYR QE . . 5.340 3.912 2.881 4.644 . 0 0 "[ . 1 . 2]" 1
787 1 54 TYR H 1 54 TYR HB2 . . 4.060 2.563 2.414 2.831 . 0 0 "[ . 1 . 2]" 1
788 1 54 TYR H 1 54 TYR QB . . 3.320 2.517 2.382 2.761 . 0 0 "[ . 1 . 2]" 1
789 1 54 TYR H 1 54 TYR HB3 . . 4.060 3.694 3.584 3.829 . 0 0 "[ . 1 . 2]" 1
790 1 54 TYR HA 1 54 TYR QD . . 3.730 2.688 2.182 3.130 . 0 0 "[ . 1 . 2]" 1
791 1 54 TYR HA 1 55 SER H . . 3.130 2.416 2.268 2.595 . 0 0 "[ . 1 . 2]" 1
792 1 54 TYR HA 1 65 LEU MD1 . . 4.430 3.834 3.299 4.409 . 0 0 "[ . 1 . 2]" 1
793 1 54 TYR HA 1 67 VAL HA . . 4.060 3.452 3.036 3.798 . 0 0 "[ . 1 . 2]" 1
794 1 54 TYR HA 1 68 ARG H . . 4.540 4.225 3.936 4.536 . 0 0 "[ . 1 . 2]" 1
795 1 54 TYR QB 1 55 SER H . . 4.210 2.401 2.054 2.732 . 0 0 "[ . 1 . 2]" 1
796 1 54 TYR QB 1 56 LEU QD . . 3.260 2.648 1.994 3.220 . 0 0 "[ . 1 . 2]" 1
797 1 54 TYR QB 1 65 LEU MD1 . . 3.450 2.513 2.026 2.985 . 0 0 "[ . 1 . 2]" 1
798 1 54 TYR QD 1 56 LEU QD . . 4.330 3.973 2.717 4.327 . 0 0 "[ . 1 . 2]" 1
799 1 54 TYR QD 1 65 LEU MD1 . . 3.420 2.624 2.011 3.382 . 0 0 "[ . 1 . 2]" 1
800 1 54 TYR QD 1 65 LEU MD2 . . 5.340 3.832 3.193 4.515 . 0 0 "[ . 1 . 2]" 1
801 1 54 TYR QD 1 67 VAL HA . . 3.820 3.337 2.275 3.814 . 0 0 "[ . 1 . 2]" 1
802 1 54 TYR QD 1 67 VAL MG1 . . 3.940 3.525 3.102 3.927 . 0 0 "[ . 1 . 2]" 1
803 1 54 TYR QD 1 67 VAL QG . . 3.270 2.433 1.949 3.268 . 0 0 "[ . 1 . 2]" 1
804 1 54 TYR QD 1 67 VAL MG2 . . 3.940 2.509 1.964 3.514 . 0 0 "[ . 1 . 2]" 1
805 1 54 TYR QE 1 65 LEU MD2 . . 5.160 4.180 2.729 5.135 . 0 0 "[ . 1 . 2]" 1
806 1 54 TYR QE 1 67 VAL MG1 . . 3.810 2.548 2.037 3.120 . 0 0 "[ . 1 . 2]" 1
807 1 54 TYR QE 1 67 VAL QG . . 3.160 2.242 1.803 2.900 . 0 0 "[ . 1 . 2]" 1
808 1 54 TYR QE 1 67 VAL MG2 . . 3.810 2.580 1.923 3.655 . 0 0 "[ . 1 . 2]" 1
809 1 55 SER H 1 55 SER HB2 . . 3.920 3.001 2.619 3.380 . 0 0 "[ . 1 . 2]" 1
810 1 55 SER H 1 55 SER QB . . 3.400 2.696 2.485 2.910 . 0 0 "[ . 1 . 2]" 1
811 1 55 SER H 1 55 SER HB3 . . 3.920 3.279 2.572 3.880 . 0 0 "[ . 1 . 2]" 1
812 1 55 SER H 1 56 LEU MD1 . . 5.500 3.955 2.744 5.497 . 0 0 "[ . 1 . 2]" 1
813 1 55 SER H 1 56 LEU QD . . 4.240 3.165 2.737 4.004 . 0 0 "[ . 1 . 2]" 1
814 1 55 SER H 1 56 LEU MD2 . . 5.500 4.524 3.094 5.503 0.003 17 0 "[ . 1 . 2]" 1
815 1 55 SER H 1 65 LEU MD1 . . 3.990 2.878 2.024 3.530 . 0 0 "[ . 1 . 2]" 1
816 1 55 SER H 1 66 VAL HB . . 4.100 3.573 2.741 3.905 . 0 0 "[ . 1 . 2]" 1
817 1 55 SER H 1 66 VAL MG2 . . 4.750 4.526 3.939 4.747 . 0 0 "[ . 1 . 2]" 1
818 1 55 SER HA 1 56 LEU H . . 3.090 2.160 2.138 2.234 . 0 0 "[ . 1 . 2]" 1
819 1 55 SER HA 1 56 LEU QD . . 4.220 3.354 2.820 4.220 . 0 0 "[ . 1 . 2]" 1
820 1 55 SER QB 1 66 VAL H . . 4.270 2.897 2.254 3.555 . 0 0 "[ . 1 . 2]" 1
821 1 55 SER QB 1 66 VAL HB . . 3.130 2.185 1.989 2.675 . 0 0 "[ . 1 . 2]" 1
822 1 55 SER QB 1 66 VAL MG1 . . 3.970 3.518 3.232 3.811 . 0 0 "[ . 1 . 2]" 1
823 1 55 SER QB 1 66 VAL MG2 . . 3.730 2.755 2.069 3.100 . 0 0 "[ . 1 . 2]" 1
824 1 55 SER QB 1 68 ARG QG . . 5.340 5.135 4.791 5.337 . 0 0 "[ . 1 . 2]" 1
825 1 55 SER HB2 1 56 LEU H . . 4.540 4.412 4.023 4.540 . 13 0 "[ . 1 . 2]" 1
826 1 55 SER HB2 1 66 VAL HB . . 3.710 2.714 1.997 3.579 . 0 0 "[ . 1 . 2]" 1
827 1 55 SER HB2 1 66 VAL MG1 . . 4.760 3.919 3.469 4.611 . 0 0 "[ . 1 . 2]" 1
828 1 55 SER HB2 1 66 VAL MG2 . . 4.320 3.602 2.540 4.313 . 0 0 "[ . 1 . 2]" 1
829 1 55 SER HB3 1 56 LEU H . . 4.540 3.943 2.984 4.433 . 0 0 "[ . 1 . 2]" 1
830 1 55 SER HB3 1 66 VAL HB . . 3.710 2.803 2.025 3.706 . 0 0 "[ . 1 . 2]" 1
831 1 55 SER HB3 1 66 VAL MG1 . . 4.760 4.215 3.523 4.775 0.015 17 0 "[ . 1 . 2]" 1
832 1 55 SER HB3 1 66 VAL MG2 . . 4.320 3.046 2.091 3.862 . 0 0 "[ . 1 . 2]" 1
833 1 56 LEU H 1 56 LEU QB . . 3.460 2.491 2.295 2.688 . 0 0 "[ . 1 . 2]" 1
834 1 56 LEU H 1 56 LEU QD . . 3.970 2.514 1.932 3.532 . 0 0 "[ . 1 . 2]" 1
835 1 56 LEU HA 1 56 LEU MD1 . . 4.270 3.160 2.082 3.997 . 0 0 "[ . 1 . 2]" 1
836 1 56 LEU HA 1 56 LEU QD . . 3.660 2.616 1.971 3.068 . 0 0 "[ . 1 . 2]" 1
837 1 56 LEU HA 1 56 LEU MD2 . . 4.270 3.097 1.978 3.768 . 0 0 "[ . 1 . 2]" 1
838 1 56 LEU HA 1 56 LEU HG . . 4.060 2.894 2.370 3.757 . 0 0 "[ . 1 . 2]" 1
839 1 56 LEU HA 1 57 ARG H . . 2.960 2.160 2.139 2.227 . 0 0 "[ . 1 . 2]" 1
840 1 56 LEU HA 1 65 LEU HA . . 3.730 3.217 2.907 3.427 . 0 0 "[ . 1 . 2]" 1
841 1 56 LEU HA 1 65 LEU MD1 . . 4.340 3.729 3.321 4.337 . 0 0 "[ . 1 . 2]" 1
842 1 56 LEU HA 1 66 VAL H . . 4.690 4.388 3.900 4.691 0.001 15 0 "[ . 1 . 2]" 1
843 1 56 LEU QB 1 57 ARG H . . 4.060 3.297 2.971 3.682 . 0 0 "[ . 1 . 2]" 1
844 1 56 LEU QD 1 57 ARG H . . 4.930 3.968 3.076 4.475 . 0 0 "[ . 1 . 2]" 1
845 1 56 LEU QD 1 65 LEU HA . . 4.540 3.422 2.519 4.386 . 0 0 "[ . 1 . 2]" 1
846 1 56 LEU QD 1 65 LEU MD1 . . 3.360 2.091 1.790 2.697 . 0 0 "[ . 1 . 2]" 1
847 1 56 LEU HG 1 65 LEU MD1 . . 4.090 3.032 2.083 4.086 . 0 0 "[ . 1 . 2]" 1
848 1 57 ARG H 1 57 ARG QB . . 3.560 2.638 2.394 3.080 . 0 0 "[ . 1 . 2]" 1
849 1 57 ARG H 1 57 ARG QG . . 4.510 3.774 2.315 4.243 . 0 0 "[ . 1 . 2]" 1
850 1 57 ARG H 1 64 GLU H . . 3.920 3.139 2.683 3.750 . 0 0 "[ . 1 . 2]" 1
851 1 57 ARG H 1 64 GLU QB . . 4.450 3.192 2.599 4.191 . 0 0 "[ . 1 . 2]" 1
852 1 57 ARG H 1 65 LEU HA . . 4.610 4.366 4.070 4.604 . 0 0 "[ . 1 . 2]" 1
853 1 57 ARG QB 1 57 ARG QD . . 3.330 2.198 2.033 2.547 . 0 0 "[ . 1 . 2]" 1
854 1 57 ARG QB 1 58 GLN H . . 3.910 3.565 3.105 3.894 . 0 0 "[ . 1 . 2]" 1
855 1 57 ARG HB2 1 58 GLN H . . 4.610 4.176 3.235 4.554 . 0 0 "[ . 1 . 2]" 1
856 1 57 ARG HB3 1 58 GLN H . . 4.610 3.959 3.186 4.381 . 0 0 "[ . 1 . 2]" 1
857 1 57 ARG QG 1 58 GLN H . . 4.310 3.122 1.910 4.252 . 0 0 "[ . 1 . 2]" 1
858 1 58 GLN H 1 58 GLN QB . . 3.550 2.384 2.280 2.500 . 0 0 "[ . 1 . 2]" 1
859 1 58 GLN HA 1 58 GLN HG2 . . 4.050 3.143 2.238 3.915 . 0 0 "[ . 1 . 2]" 1
860 1 58 GLN HA 1 58 GLN QG . . 3.420 2.548 2.214 3.136 . 0 0 "[ . 1 . 2]" 1
861 1 58 GLN HA 1 58 GLN HG3 . . 4.050 2.974 2.440 3.687 . 0 0 "[ . 1 . 2]" 1
862 1 58 GLN HA 1 59 GLU H . . 3.130 2.178 2.139 2.250 . 0 0 "[ . 1 . 2]" 1
863 1 58 GLN HA 1 63 LEU QD . . 3.980 2.892 2.265 3.484 . 0 0 "[ . 1 . 2]" 1
864 1 58 GLN HA 1 64 GLU H . . 4.650 4.242 3.413 4.633 . 0 0 "[ . 1 . 2]" 1
865 1 58 GLN QB 1 63 LEU QD . . 3.930 2.978 2.013 3.672 . 0 0 "[ . 1 . 2]" 1
866 1 58 GLN QE 1 61 ALA HA . . 4.440 3.270 1.895 4.095 . 0 0 "[ . 1 . 2]" 1
867 1 58 GLN QE 1 63 LEU QD . . 3.870 2.937 1.797 3.864 . 0 0 "[ . 1 . 2]" 1
868 1 58 GLN QG 1 63 LEU QD . . 3.590 2.753 1.974 3.586 . 0 0 "[ . 1 . 2]" 1
869 1 58 GLN HG2 1 59 GLU H . . 4.410 3.357 2.094 4.410 . 0 0 "[ . 1 . 2]" 1
870 1 58 GLN HG3 1 59 GLU H . . 4.410 3.278 2.420 4.347 . 0 0 "[ . 1 . 2]" 1
871 1 59 GLU H 1 59 GLU HB2 . . 4.120 2.938 2.515 3.387 . 0 0 "[ . 1 . 2]" 1
872 1 59 GLU H 1 59 GLU QB . . 3.590 2.659 2.417 2.870 . 0 0 "[ . 1 . 2]" 1
873 1 59 GLU H 1 59 GLU HB3 . . 4.120 3.204 2.559 3.946 . 0 0 "[ . 1 . 2]" 1
874 1 59 GLU H 1 59 GLU QG . . 4.650 3.969 3.156 4.398 . 0 0 "[ . 1 . 2]" 1
875 1 59 GLU H 1 62 MET HB3 . . 5.060 3.061 2.194 4.644 . 0 0 "[ . 1 . 2]" 1
876 1 59 GLU H 1 63 LEU QD . . 4.620 3.730 3.173 4.322 . 0 0 "[ . 1 . 2]" 1
877 1 59 GLU HA 1 59 GLU QG . . 3.800 2.523 2.258 2.962 . 0 0 "[ . 1 . 2]" 1
878 1 59 GLU QB 1 62 MET HB3 . . 4.250 2.570 2.026 3.461 . 0 0 "[ . 1 . 2]" 1
879 1 59 GLU HB2 1 62 MET HB3 . . 4.940 3.580 2.038 4.946 0.006 17 0 "[ . 1 . 2]" 1
880 1 59 GLU HB3 1 62 MET HB3 . . 4.940 2.942 2.054 4.322 . 0 0 "[ . 1 . 2]" 1
881 1 60 GLY QA 1 61 ALA H . . 3.010 2.264 2.109 2.514 . 0 0 "[ . 1 . 2]" 1
882 1 60 GLY QA 1 61 ALA MB . . 4.300 3.499 3.395 3.681 . 0 0 "[ . 1 . 2]" 1
883 1 60 GLY QA 1 62 MET H . . 4.250 3.978 3.638 4.226 . 0 0 "[ . 1 . 2]" 1
884 1 61 ALA H 1 61 ALA MB . . 3.410 2.740 2.326 2.911 . 0 0 "[ . 1 . 2]" 1
885 1 61 ALA H 1 62 MET H . . 3.380 2.810 2.528 3.274 . 0 0 "[ . 1 . 2]" 1
886 1 61 ALA HA 1 63 LEU MD1 . . 5.370 4.871 4.233 5.376 0.006 17 0 "[ . 1 . 2]" 1
887 1 61 ALA HA 1 63 LEU MD2 . . 5.370 4.107 3.439 4.841 . 0 0 "[ . 1 . 2]" 1
888 1 61 ALA MB 1 62 MET H . . 4.000 3.689 3.631 3.719 . 0 0 "[ . 1 . 2]" 1
889 1 62 MET H 1 62 MET HB2 . . 3.530 3.185 2.906 3.452 . 0 0 "[ . 1 . 2]" 1
890 1 62 MET H 1 62 MET HB3 . . 3.340 2.977 2.568 3.282 . 0 0 "[ . 1 . 2]" 1
891 1 62 MET H 1 62 MET QG . . 4.810 4.233 3.971 4.399 . 0 0 "[ . 1 . 2]" 1
892 1 62 MET HA 1 62 MET QG . . 3.680 2.383 2.199 3.105 . 0 0 "[ . 1 . 2]" 1
893 1 62 MET HA 1 63 LEU H . . 3.040 2.175 2.141 2.228 . 0 0 "[ . 1 . 2]" 1
894 1 62 MET HA 1 63 LEU MD1 . . 4.500 4.331 3.630 4.505 0.005 17 0 "[ . 1 . 2]" 1
895 1 62 MET HA 1 63 LEU MD2 . . 4.500 3.158 2.494 4.504 0.004 17 0 "[ . 1 . 2]" 1
896 1 62 MET HB3 1 62 MET ME . . 4.660 3.401 2.265 4.144 . 0 0 "[ . 1 . 2]" 1
897 1 62 MET ME 1 62 MET QG . . 3.560 2.120 1.970 2.371 . 0 0 "[ . 1 . 2]" 1
898 1 62 MET QG 1 63 LEU H . . 3.930 2.760 2.327 3.240 . 0 0 "[ . 1 . 2]" 1
899 1 62 MET HG2 1 63 LEU H . . 4.740 3.027 2.362 4.449 . 0 0 "[ . 1 . 2]" 1
900 1 62 MET HG3 1 63 LEU H . . 4.740 3.712 2.749 4.679 . 0 0 "[ . 1 . 2]" 1
901 1 63 LEU H 1 63 LEU QB . . 3.440 2.492 2.299 2.775 . 0 0 "[ . 1 . 2]" 1
902 1 63 LEU H 1 63 LEU MD1 . . 3.990 3.537 2.847 3.770 . 0 0 "[ . 1 . 2]" 1
903 1 63 LEU H 1 63 LEU QD . . 3.420 2.292 1.889 3.428 0.008 7 0 "[ . 1 . 2]" 1
904 1 63 LEU H 1 63 LEU MD2 . . 3.990 2.388 1.898 3.981 . 0 0 "[ . 1 . 2]" 1
905 1 63 LEU H 1 63 LEU HG . . 4.360 4.011 2.764 4.365 0.005 9 0 "[ . 1 . 2]" 1
906 1 63 LEU HA 1 63 LEU MD1 . . 3.950 2.287 1.919 3.988 0.038 15 0 "[ . 1 . 2]" 1
907 1 63 LEU HA 1 63 LEU QD . . 3.160 2.050 1.906 2.558 . 0 0 "[ . 1 . 2]" 1
908 1 63 LEU HA 1 63 LEU MD2 . . 3.950 3.049 2.516 3.461 . 0 0 "[ . 1 . 2]" 1
909 1 63 LEU HA 1 64 GLU H . . 3.030 2.303 2.169 2.383 . 0 0 "[ . 1 . 2]" 1
910 1 63 LEU QB 1 64 GLU H . . 3.860 2.642 2.438 3.053 . 0 0 "[ . 1 . 2]" 1
911 1 63 LEU QD 1 64 GLU H . . 4.020 3.262 2.945 3.681 . 0 0 "[ . 1 . 2]" 1
912 1 63 LEU MD1 1 64 GLU H . . 4.850 3.490 2.977 4.848 . 0 0 "[ . 1 . 2]" 1
913 1 63 LEU MD2 1 64 GLU H . . 4.850 4.598 3.702 4.850 0.000 2 0 "[ . 1 . 2]" 1
914 1 64 GLU H 1 64 GLU HB2 . . 3.890 3.174 2.858 3.371 . 0 0 "[ . 1 . 2]" 1
915 1 64 GLU H 1 64 GLU QB . . 3.400 2.728 2.535 2.813 . 0 0 "[ . 1 . 2]" 1
916 1 64 GLU H 1 64 GLU HB3 . . 3.890 2.987 2.717 3.188 . 0 0 "[ . 1 . 2]" 1
917 1 64 GLU H 1 64 GLU QG . . 4.780 4.234 4.090 4.414 . 0 0 "[ . 1 . 2]" 1
918 1 64 GLU HA 1 64 GLU HG2 . . 4.180 2.807 2.321 3.668 . 0 0 "[ . 1 . 2]" 1
919 1 64 GLU HA 1 64 GLU HG3 . . 4.180 2.802 2.258 3.733 . 0 0 "[ . 1 . 2]" 1
920 1 64 GLU HA 1 65 LEU H . . 3.060 2.148 2.139 2.182 . 0 0 "[ . 1 . 2]" 1
921 1 64 GLU QB 1 66 VAL MG2 . . 4.730 4.106 3.825 4.586 . 0 0 "[ . 1 . 2]" 1
922 1 64 GLU QG 1 65 LEU H . . 4.010 3.068 2.604 3.515 . 0 0 "[ . 1 . 2]" 1
923 1 64 GLU QG 1 66 VAL MG2 . . 3.450 2.899 2.396 3.451 0.001 19 0 "[ . 1 . 2]" 1
924 1 64 GLU HG2 1 65 LEU H . . 4.840 3.336 2.646 4.528 . 0 0 "[ . 1 . 2]" 1
925 1 64 GLU HG3 1 65 LEU H . . 4.840 3.926 2.854 4.837 . 0 0 "[ . 1 . 2]" 1
926 1 65 LEU H 1 65 LEU QB . . 3.540 2.407 2.275 2.532 . 0 0 "[ . 1 . 2]" 1
927 1 65 LEU HA 1 65 LEU MD1 . . 3.420 2.421 2.167 2.704 . 0 0 "[ . 1 . 2]" 1
928 1 65 LEU HA 1 65 LEU MD2 . . 4.530 3.973 3.929 4.020 . 0 0 "[ . 1 . 2]" 1
929 1 65 LEU HA 1 65 LEU HG . . 4.240 3.104 2.837 3.391 . 0 0 "[ . 1 . 2]" 1
930 1 65 LEU HA 1 66 VAL H . . 3.120 2.150 2.140 2.174 . 0 0 "[ . 1 . 2]" 1
931 1 65 LEU HA 1 66 VAL MG2 . . 4.570 3.821 3.593 4.199 . 0 0 "[ . 1 . 2]" 1
932 1 65 LEU MD1 1 66 VAL H . . 3.530 3.100 2.366 3.463 . 0 0 "[ . 1 . 2]" 1
933 1 65 LEU MD1 1 67 VAL QG . . 3.650 3.021 2.407 3.645 . 0 0 "[ . 1 . 2]" 1
934 1 65 LEU MD2 1 67 VAL QG . . 3.110 2.634 2.227 3.022 . 0 0 "[ . 1 . 2]" 1
935 1 65 LEU MD2 1 78 TYR QB . . 5.500 3.851 3.036 4.285 . 0 0 "[ . 1 . 2]" 1
936 1 65 LEU MD2 1 78 TYR QD . . 4.200 3.210 2.448 3.964 . 0 0 "[ . 1 . 2]" 1
937 1 65 LEU HG 1 66 VAL H . . 4.680 3.388 2.739 3.779 . 0 0 "[ . 1 . 2]" 1
938 1 65 LEU HG 1 67 VAL QG . . 3.230 2.479 2.200 2.714 . 0 0 "[ . 1 . 2]" 1
939 1 66 VAL H 1 66 VAL HB . . 3.740 2.538 2.337 2.631 . 0 0 "[ . 1 . 2]" 1
940 1 66 VAL H 1 66 VAL MG1 . . 4.620 3.800 3.703 3.836 . 0 0 "[ . 1 . 2]" 1
941 1 66 VAL H 1 66 VAL MG2 . . 3.760 2.593 2.227 2.863 . 0 0 "[ . 1 . 2]" 1
942 1 66 VAL H 1 67 VAL QG . . 5.270 4.164 3.967 4.386 . 0 0 "[ . 1 . 2]" 1
943 1 66 VAL HA 1 66 VAL MG1 . . 3.430 2.382 2.255 2.486 . 0 0 "[ . 1 . 2]" 1
944 1 66 VAL HA 1 66 VAL MG2 . . 3.360 2.325 2.127 2.456 . 0 0 "[ . 1 . 2]" 1
945 1 66 VAL HA 1 67 VAL H . . 2.990 2.178 2.141 2.265 . 0 0 "[ . 1 . 2]" 1
946 1 66 VAL MG1 1 67 VAL H . . 3.480 2.401 2.065 2.824 . 0 0 "[ . 1 . 2]" 1
947 1 66 VAL MG1 1 68 ARG H . . 4.570 3.649 3.239 4.008 . 0 0 "[ . 1 . 2]" 1
948 1 66 VAL MG1 1 68 ARG HA . . 4.310 4.048 3.873 4.302 . 0 0 "[ . 1 . 2]" 1
949 1 66 VAL MG1 1 68 ARG QG . . 3.530 2.646 2.436 2.907 . 0 0 "[ . 1 . 2]" 1
950 1 66 VAL MG2 1 67 VAL H . . 4.120 3.980 3.671 4.120 . 0 0 "[ . 1 . 2]" 1
951 1 67 VAL H 1 67 VAL HB . . 3.770 2.710 2.618 2.813 . 0 0 "[ . 1 . 2]" 1
952 1 67 VAL H 1 67 VAL MG1 . . 4.670 3.876 3.838 3.923 . 0 0 "[ . 1 . 2]" 1
953 1 67 VAL H 1 67 VAL QG . . 3.620 2.714 2.411 2.907 . 0 0 "[ . 1 . 2]" 1
954 1 67 VAL H 1 67 VAL MG2 . . 4.670 2.774 2.435 3.007 . 0 0 "[ . 1 . 2]" 1
955 1 67 VAL HA 1 67 VAL MG1 . . 3.660 2.364 2.243 2.468 . 0 0 "[ . 1 . 2]" 1
956 1 67 VAL HA 1 67 VAL MG2 . . 3.660 2.378 2.253 2.537 . 0 0 "[ . 1 . 2]" 1
957 1 67 VAL HA 1 68 ARG H . . 3.080 2.156 2.140 2.172 . 0 0 "[ . 1 . 2]" 1
958 1 67 VAL HB 1 70 LEU QD . . 3.380 2.817 2.324 3.305 . 0 0 "[ . 1 . 2]" 1
959 1 67 VAL HB 1 91 LEU MD2 . . 4.480 4.147 3.673 4.436 . 0 0 "[ . 1 . 2]" 1
960 1 67 VAL QG 1 68 ARG H . . 3.810 2.889 2.578 3.076 . 0 0 "[ . 1 . 2]" 1
961 1 67 VAL QG 1 70 LEU HA . . 4.430 3.503 3.004 3.912 . 0 0 "[ . 1 . 2]" 1
962 1 67 VAL QG 1 78 TYR QE . . 4.320 3.293 2.343 4.173 . 0 0 "[ . 1 . 2]" 1
963 1 67 VAL MG1 1 68 ARG H . . 5.160 2.948 2.604 3.154 . 0 0 "[ . 1 . 2]" 1
964 1 67 VAL MG2 1 68 ARG H . . 5.160 4.176 4.068 4.277 . 0 0 "[ . 1 . 2]" 1
965 1 68 ARG H 1 68 ARG QB . . 3.510 2.398 2.214 2.964 . 0 0 "[ . 1 . 2]" 1
966 1 68 ARG H 1 68 ARG QD . . 4.870 4.047 3.570 4.739 . 0 0 "[ . 1 . 2]" 1
967 1 68 ARG H 1 68 ARG QG . . 3.610 2.571 1.870 3.145 . 0 0 "[ . 1 . 2]" 1
968 1 68 ARG HA 1 68 ARG QG . . 3.540 2.585 2.239 3.264 . 0 0 "[ . 1 . 2]" 1
969 1 68 ARG HA 1 69 ASN H . . 3.050 2.432 2.317 2.584 . 0 0 "[ . 1 . 2]" 1
970 1 68 ARG HA 1 69 ASN HA . . 4.710 4.536 4.482 4.625 . 0 0 "[ . 1 . 2]" 1
971 1 68 ARG QB 1 69 ASN H . . 3.460 2.359 2.031 2.640 . 0 0 "[ . 1 . 2]" 1
972 1 68 ARG QB 1 69 ASN HA . . 5.020 4.134 3.937 4.250 . 0 0 "[ . 1 . 2]" 1
973 1 68 ARG QB 1 69 ASN HB2 . . 4.860 3.563 3.253 4.157 . 0 0 "[ . 1 . 2]" 1
974 1 68 ARG QB 1 69 ASN QB . . 4.190 3.431 3.150 3.926 . 0 0 "[ . 1 . 2]" 1
975 1 68 ARG QB 1 69 ASN HB3 . . 4.860 4.537 3.851 4.878 0.018 12 0 "[ . 1 . 2]" 1
976 1 68 ARG QG 1 69 ASN H . . 4.310 3.999 3.502 4.292 . 0 0 "[ . 1 . 2]" 1
977 1 69 ASN H 1 70 LEU H . . 3.830 2.808 2.693 2.901 . 0 0 "[ . 1 . 2]" 1
978 1 69 ASN HA 1 70 LEU H . . 3.520 2.665 2.620 2.752 . 0 0 "[ . 1 . 2]" 1
979 1 70 LEU H 1 70 LEU HB2 . . 4.090 2.258 2.166 2.539 . 0 0 "[ . 1 . 2]" 1
980 1 70 LEU H 1 70 LEU QB . . 3.410 2.232 2.145 2.491 . 0 0 "[ . 1 . 2]" 1
981 1 70 LEU H 1 70 LEU HB3 . . 4.090 3.526 3.483 3.606 . 0 0 "[ . 1 . 2]" 1
982 1 70 LEU H 1 70 LEU MD1 . . 4.190 3.670 3.346 3.885 . 0 0 "[ . 1 . 2]" 1
983 1 70 LEU H 1 70 LEU MD2 . . 4.190 3.766 3.404 4.002 . 0 0 "[ . 1 . 2]" 1
984 1 70 LEU H 1 70 LEU HG . . 3.240 2.731 2.212 2.981 . 0 0 "[ . 1 . 2]" 1
985 1 70 LEU HA 1 70 LEU MD1 . . 4.510 3.827 3.776 3.930 . 0 0 "[ . 1 . 2]" 1
986 1 70 LEU HA 1 70 LEU QD . . 3.080 2.072 1.948 2.350 . 0 0 "[ . 1 . 2]" 1
987 1 70 LEU HA 1 70 LEU MD2 . . 4.510 2.082 1.954 2.371 . 0 0 "[ . 1 . 2]" 1
988 1 70 LEU HA 1 70 LEU HG . . 4.140 2.823 2.622 3.119 . 0 0 "[ . 1 . 2]" 1
989 1 70 LEU HA 1 71 ARG H . . 3.160 2.332 2.146 2.614 . 0 0 "[ . 1 . 2]" 1
990 1 70 LEU QB 1 70 LEU QD . . 2.840 1.913 1.851 1.945 . 0 0 "[ . 1 . 2]" 1
991 1 70 LEU QB 1 71 ARG H . . 4.420 2.644 1.962 3.306 . 0 0 "[ . 1 . 2]" 1
992 1 70 LEU QB 1 93 VAL MG1 . . 3.230 2.545 2.165 2.998 . 0 0 "[ . 1 . 2]" 1
993 1 70 LEU HB2 1 93 VAL MG1 . . 3.980 3.841 3.511 3.968 . 0 0 "[ . 1 . 2]" 1
994 1 70 LEU HB2 1 93 VAL MG2 . . 4.540 4.359 3.904 4.539 . 0 0 "[ . 1 . 2]" 1
995 1 70 LEU HB3 1 93 VAL MG1 . . 3.980 2.589 2.181 3.161 . 0 0 "[ . 1 . 2]" 1
996 1 70 LEU HB3 1 93 VAL MG2 . . 4.540 2.963 2.484 3.178 . 0 0 "[ . 1 . 2]" 1
997 1 70 LEU QD 1 71 ARG H . . 3.920 2.729 2.346 3.314 . 0 0 "[ . 1 . 2]" 1
998 1 70 LEU QD 1 74 ASP QB . . 3.740 3.479 2.956 3.740 . 0 0 "[ . 1 . 2]" 1
999 1 71 ARG H 1 71 ARG HG2 . . 4.560 3.710 2.373 4.505 . 0 0 "[ . 1 . 2]" 1
1000 1 71 ARG H 1 71 ARG QG . . 4.010 3.158 2.323 3.732 . 0 0 "[ . 1 . 2]" 1
1001 1 71 ARG H 1 71 ARG HG3 . . 4.560 3.754 2.655 4.571 0.011 20 0 "[ . 1 . 2]" 1
1002 1 71 ARG H 1 74 ASP QB . . 4.120 2.837 2.400 3.373 . 0 0 "[ . 1 . 2]" 1
1003 1 71 ARG H 1 93 VAL MG1 . . 4.700 3.142 2.726 3.680 . 0 0 "[ . 1 . 2]" 1
1004 1 71 ARG HA 1 72 PRO HD2 . . 3.750 2.373 2.261 2.482 . 0 0 "[ . 1 . 2]" 1
1005 1 71 ARG HA 1 72 PRO HD3 . . 3.450 2.291 2.259 2.334 . 0 0 "[ . 1 . 2]" 1
1006 1 71 ARG QB 1 72 PRO HD2 . . 3.610 2.132 1.971 2.439 . 0 0 "[ . 1 . 2]" 1
1007 1 71 ARG QB 1 72 PRO HD3 . . 4.030 3.452 3.322 3.698 . 0 0 "[ . 1 . 2]" 1
1008 1 71 ARG QB 1 73 GLN QG . . 4.200 2.891 1.954 4.150 . 0 0 "[ . 1 . 2]" 1
1009 1 71 ARG HB2 1 72 PRO HD2 . . 4.280 3.381 2.103 3.915 . 0 0 "[ . 1 . 2]" 1
1010 1 71 ARG HB2 1 72 PRO HD3 . . 4.910 4.507 3.540 4.880 . 0 0 "[ . 1 . 2]" 1
1011 1 71 ARG HB2 1 73 GLN QG . . 4.830 3.629 2.115 4.801 . 0 0 "[ . 1 . 2]" 1
1012 1 71 ARG HB3 1 72 PRO HD2 . . 4.280 2.340 1.980 3.212 . 0 0 "[ . 1 . 2]" 1
1013 1 71 ARG HB3 1 72 PRO HD3 . . 4.910 3.681 3.426 4.208 . 0 0 "[ . 1 . 2]" 1
1014 1 71 ARG HB3 1 73 GLN QG . . 4.830 3.305 1.996 4.798 . 0 0 "[ . 1 . 2]" 1
1015 1 72 PRO HA 1 74 ASP H . . 5.070 4.073 3.564 4.639 . 0 0 "[ . 1 . 2]" 1
1016 1 72 PRO HA 1 75 SER HG . . 4.450 3.409 2.732 4.380 . 0 0 "[ . 1 . 2]" 1
1017 1 72 PRO HA 1 93 VAL H . . 4.550 4.335 4.165 4.550 . 0 0 "[ . 1 . 2]" 1
1018 1 72 PRO HA 1 93 VAL HB . . 3.440 2.202 2.000 2.460 . 0 0 "[ . 1 . 2]" 1
1019 1 72 PRO HA 1 93 VAL MG1 . . 3.710 2.441 2.089 2.812 . 0 0 "[ . 1 . 2]" 1
1020 1 72 PRO HA 1 93 VAL MG2 . . 4.190 3.611 3.384 3.889 . 0 0 "[ . 1 . 2]" 1
1021 1 72 PRO HG2 1 95 ALA MB . . 4.400 3.998 3.484 4.383 . 0 0 "[ . 1 . 2]" 1
1022 1 72 PRO HG3 1 95 ALA HA . . 4.090 3.489 2.443 3.973 . 0 0 "[ . 1 . 2]" 1
1023 1 73 GLN H 1 73 GLN QG . . 4.320 2.445 1.969 3.716 . 0 0 "[ . 1 . 2]" 1
1024 1 73 GLN H 1 74 ASP H . . 4.530 2.192 1.948 2.723 . 0 0 "[ . 1 . 2]" 1
1025 1 73 GLN HA 1 73 GLN QG . . 3.450 3.036 2.407 3.429 . 0 0 "[ . 1 . 2]" 1
1026 1 73 GLN HA 1 75 SER H . . 4.230 4.026 3.623 4.222 . 0 0 "[ . 1 . 2]" 1
1027 1 73 GLN QB 1 74 ASP HA . . 4.550 4.227 3.857 4.551 0.001 8 0 "[ . 1 . 2]" 1
1028 1 73 GLN QG 1 74 ASP H . . 4.740 3.505 2.288 4.533 . 0 0 "[ . 1 . 2]" 1
1029 1 74 ASP H 1 74 ASP HB2 . . 4.120 2.515 2.196 3.113 . 0 0 "[ . 1 . 2]" 1
1030 1 74 ASP H 1 74 ASP QB . . 3.480 2.288 2.165 2.663 . 0 0 "[ . 1 . 2]" 1
1031 1 74 ASP H 1 74 ASP HB3 . . 4.120 3.008 2.233 3.598 . 0 0 "[ . 1 . 2]" 1
1032 1 74 ASP H 1 75 SER H . . 3.500 2.455 1.861 2.808 . 0 0 "[ . 1 . 2]" 1
1033 1 74 ASP H 1 93 VAL MG2 . . 4.670 4.390 3.695 4.664 . 0 0 "[ . 1 . 2]" 1
1034 1 74 ASP QB 1 93 VAL MG2 . . 3.860 3.472 2.924 3.706 . 0 0 "[ . 1 . 2]" 1
1035 1 75 SER H 1 75 SER HB2 . . 3.970 2.840 2.409 3.619 . 0 0 "[ . 1 . 2]" 1
1036 1 75 SER H 1 75 SER QB . . 3.350 2.530 2.375 2.789 . 0 0 "[ . 1 . 2]" 1
1037 1 75 SER H 1 75 SER HB3 . . 3.970 3.352 2.559 3.622 . 0 0 "[ . 1 . 2]" 1
1038 1 75 SER H 1 75 SER HG . . 3.660 2.828 1.965 3.643 . 0 0 "[ . 1 . 2]" 1
1039 1 75 SER H 1 93 VAL HB . . 4.660 4.002 3.632 4.573 . 0 0 "[ . 1 . 2]" 1
1040 1 75 SER H 1 93 VAL MG2 . . 4.380 3.428 2.921 4.061 . 0 0 "[ . 1 . 2]" 1
1041 1 75 SER HA 1 76 GLY H . . 3.230 2.175 2.143 2.283 . 0 0 "[ . 1 . 2]" 1
1042 1 75 SER HA 1 93 VAL MG2 . . 4.030 3.572 2.874 4.021 . 0 0 "[ . 1 . 2]" 1
1043 1 75 SER QB 1 76 GLY H . . 3.660 3.488 2.705 3.661 0.001 9 0 "[ . 1 . 2]" 1
1044 1 75 SER QB 1 90 THR MG . . 4.620 3.815 3.210 4.415 . 0 0 "[ . 1 . 2]" 1
1045 1 75 SER HB2 1 76 GLY H . . 4.530 4.184 2.765 4.537 0.007 14 0 "[ . 1 . 2]" 1
1046 1 75 SER HB3 1 76 GLY H . . 4.530 3.864 3.197 4.439 . 0 0 "[ . 1 . 2]" 1
1047 1 75 SER HG 1 93 VAL H . . 4.020 2.996 1.924 3.853 . 0 0 "[ . 1 . 2]" 1
1048 1 76 GLY H 1 90 THR HA . . 5.160 4.756 4.275 5.134 . 0 0 "[ . 1 . 2]" 1
1049 1 76 GLY H 1 90 THR MG . . 4.380 4.041 3.581 4.334 . 0 0 "[ . 1 . 2]" 1
1050 1 76 GLY H 1 91 LEU H . . 3.950 3.610 3.222 3.931 . 0 0 "[ . 1 . 2]" 1
1051 1 76 GLY H 1 91 LEU QB . . 4.500 3.459 2.506 4.112 . 0 0 "[ . 1 . 2]" 1
1052 1 76 GLY QA 1 90 THR MG . . 4.180 4.013 3.667 4.174 . 0 0 "[ . 1 . 2]" 1
1053 1 77 ARG H 1 77 ARG HB2 . . 3.750 3.081 2.742 3.764 0.014 12 0 "[ . 1 . 2]" 1
1054 1 77 ARG H 1 77 ARG QB . . 3.280 2.534 2.451 2.641 . 0 0 "[ . 1 . 2]" 1
1055 1 77 ARG H 1 77 ARG HB3 . . 3.750 2.721 2.549 2.974 . 0 0 "[ . 1 . 2]" 1
1056 1 77 ARG H 1 77 ARG QG . . 4.770 4.045 3.357 4.143 . 0 0 "[ . 1 . 2]" 1
1057 1 77 ARG HA 1 77 ARG QD . . 4.210 4.046 3.789 4.177 . 0 0 "[ . 1 . 2]" 1
1058 1 77 ARG HA 1 77 ARG HG2 . . 4.250 3.082 2.665 3.552 . 0 0 "[ . 1 . 2]" 1
1059 1 77 ARG HA 1 77 ARG QG . . 3.610 2.474 2.310 3.373 . 0 0 "[ . 1 . 2]" 1
1060 1 77 ARG HA 1 77 ARG HG3 . . 4.250 2.645 2.403 4.203 . 0 0 "[ . 1 . 2]" 1
1061 1 77 ARG HA 1 78 TYR H . . 3.160 2.170 2.140 2.222 . 0 0 "[ . 1 . 2]" 1
1062 1 77 ARG QB 1 77 ARG QD . . 3.190 2.264 2.091 2.778 . 0 0 "[ . 1 . 2]" 1
1063 1 77 ARG QD 1 88 SER QB . . 4.060 3.124 2.074 4.029 . 0 0 "[ . 1 . 2]" 1
1064 1 77 ARG QG 1 78 TYR H . . 4.220 3.274 2.939 3.475 . 0 0 "[ . 1 . 2]" 1
1065 1 77 ARG QG 1 88 SER QB . . 3.790 2.818 2.194 3.677 . 0 0 "[ . 1 . 2]" 1
1066 1 77 ARG HG2 1 78 TYR H . . 4.920 3.650 3.379 4.353 . 0 0 "[ . 1 . 2]" 1
1067 1 77 ARG HG2 1 88 SER QB . . 4.360 3.115 2.266 4.120 . 0 0 "[ . 1 . 2]" 1
1068 1 77 ARG HG3 1 78 TYR H . . 4.920 3.817 3.116 4.767 . 0 0 "[ . 1 . 2]" 1
1069 1 77 ARG HG3 1 88 SER QB . . 4.360 3.363 2.656 4.216 . 0 0 "[ . 1 . 2]" 1
1070 1 78 TYR H 1 78 TYR QD . . 4.340 2.367 1.902 3.181 . 0 0 "[ . 1 . 2]" 1
1071 1 78 TYR H 1 89 ALA H . . 3.910 3.376 2.834 3.871 . 0 0 "[ . 1 . 2]" 1
1072 1 78 TYR HA 1 78 TYR QD . . 4.580 3.000 2.414 3.473 . 0 0 "[ . 1 . 2]" 1
1073 1 78 TYR HA 1 79 SER H . . 3.130 2.197 2.138 2.399 . 0 0 "[ . 1 . 2]" 1
1074 1 78 TYR QB 1 79 SER H . . 4.130 3.133 2.400 3.604 . 0 0 "[ . 1 . 2]" 1
1075 1 78 TYR QB 1 89 ALA H . . 4.890 3.626 3.285 4.724 . 0 0 "[ . 1 . 2]" 1
1076 1 78 TYR QD 1 91 LEU H . . 4.440 3.710 3.004 4.386 . 0 0 "[ . 1 . 2]" 1
1077 1 78 TYR QD 1 91 LEU HB2 . . 4.720 3.753 2.907 4.660 . 0 0 "[ . 1 . 2]" 1
1078 1 78 TYR QD 1 91 LEU HB3 . . 4.720 3.913 3.224 4.719 . 0 0 "[ . 1 . 2]" 1
1079 1 78 TYR QE 1 91 LEU QB . . 3.890 2.631 1.995 3.732 . 0 0 "[ . 1 . 2]" 1
1080 1 78 TYR QE 1 91 LEU MD2 . . 3.860 3.013 2.375 3.857 . 0 0 "[ . 1 . 2]" 1
1081 1 78 TYR HH 1 91 LEU MD2 . . 4.070 3.247 2.331 3.987 . 0 0 "[ . 1 . 2]" 1
1082 1 79 SER HA 1 80 CYS H . . 3.240 2.265 2.143 2.450 . 0 0 "[ . 1 . 2]" 1
1083 1 79 SER HA 1 86 THR MG . . 4.640 4.092 3.753 4.442 . 0 0 "[ . 1 . 2]" 1
1084 1 79 SER HA 1 88 SER HA . . 3.320 2.302 2.010 2.795 . 0 0 "[ . 1 . 2]" 1
1085 1 79 SER HA 1 88 SER QB . . 4.360 3.639 2.848 4.352 . 0 0 "[ . 1 . 2]" 1
1086 1 79 SER HA 1 89 ALA H . . 3.990 3.586 3.000 3.967 . 0 0 "[ . 1 . 2]" 1
1087 1 79 SER HB2 1 80 CYS H . . 4.300 3.315 2.457 4.232 . 0 0 "[ . 1 . 2]" 1
1088 1 79 SER HB2 1 86 THR MG . . 4.000 3.020 2.243 3.980 . 0 0 "[ . 1 . 2]" 1
1089 1 79 SER HB3 1 80 CYS H . . 4.300 3.648 2.325 4.250 . 0 0 "[ . 1 . 2]" 1
1090 1 79 SER HB3 1 86 THR MG . . 4.000 3.452 2.217 3.977 . 0 0 "[ . 1 . 2]" 1
1091 1 80 CYS H 1 80 CYS QB . . 3.580 2.494 2.288 2.729 . 0 0 "[ . 1 . 2]" 1
1092 1 80 CYS H 1 86 THR MG . . 4.630 3.204 2.639 3.958 . 0 0 "[ . 1 . 2]" 1
1093 1 80 CYS H 1 87 THR MG . . 4.090 2.349 1.941 3.006 . 0 0 "[ . 1 . 2]" 1
1094 1 80 CYS H 1 88 SER HA . . 4.680 3.955 3.412 4.626 . 0 0 "[ . 1 . 2]" 1
1095 1 80 CYS HA 1 80 CYS HG . . 4.050 3.325 2.371 3.875 . 0 0 "[ . 1 . 2]" 1
1096 1 80 CYS HA 1 81 SER H . . 3.140 2.150 2.139 2.185 . 0 0 "[ . 1 . 2]" 1
1097 1 80 CYS HB2 1 87 THR MG . . 4.010 3.287 2.536 3.907 . 0 0 "[ . 1 . 2]" 1
1098 1 80 CYS HB3 1 87 THR MG . . 4.010 2.391 1.930 3.101 . 0 0 "[ . 1 . 2]" 1
1099 1 80 CYS HG 1 81 SER H . . 4.400 3.861 2.951 4.349 . 0 0 "[ . 1 . 2]" 1
1100 1 81 SER H 1 81 SER QB . . 3.670 2.392 2.232 2.695 . 0 0 "[ . 1 . 2]" 1
1101 1 81 SER HA 1 82 PHE H . . 3.050 2.153 2.138 2.208 . 0 0 "[ . 1 . 2]" 1
1102 1 81 SER HA 1 82 PHE QB . . 4.650 4.050 3.941 4.184 . 0 0 "[ . 1 . 2]" 1
1103 1 81 SER HA 1 86 THR HA . . 3.430 3.151 2.727 3.407 . 0 0 "[ . 1 . 2]" 1
1104 1 81 SER HA 1 87 THR H . . 4.370 4.274 4.039 4.370 . 0 0 "[ . 1 . 2]" 1
1105 1 81 SER QB 1 82 PHE H . . 3.820 3.504 2.912 3.793 . 0 0 "[ . 1 . 2]" 1
1106 1 81 SER HB2 1 82 PHE H . . 4.430 4.185 2.987 4.406 . 0 0 "[ . 1 . 2]" 1
1107 1 81 SER HB3 1 82 PHE H . . 4.430 3.862 3.216 4.426 . 0 0 "[ . 1 . 2]" 1
1108 1 82 PHE H 1 82 PHE HB2 . . 4.180 3.319 3.023 3.746 . 0 0 "[ . 1 . 2]" 1
1109 1 82 PHE H 1 82 PHE QB . . 3.570 2.782 2.580 2.883 . 0 0 "[ . 1 . 2]" 1
1110 1 82 PHE H 1 82 PHE HB3 . . 4.180 3.028 2.742 3.274 . 0 0 "[ . 1 . 2]" 1
1111 1 82 PHE H 1 83 GLY H . . 4.610 4.040 3.748 4.231 . 0 0 "[ . 1 . 2]" 1
1112 1 82 PHE H 1 86 THR HA . . 4.370 3.489 2.970 4.151 . 0 0 "[ . 1 . 2]" 1
1113 1 82 PHE HA 1 82 PHE QD . . 3.870 2.463 2.007 3.093 . 0 0 "[ . 1 . 2]" 1
1114 1 85 GLN H 1 85 GLN QB . . 3.390 2.433 2.213 2.779 . 0 0 "[ . 1 . 2]" 1
1115 1 85 GLN H 1 85 GLN HG2 . . 4.010 3.104 2.274 3.993 . 0 0 "[ . 1 . 2]" 1
1116 1 85 GLN H 1 85 GLN QG . . 3.490 2.817 2.255 3.418 . 0 0 "[ . 1 . 2]" 1
1117 1 85 GLN H 1 85 GLN HG3 . . 4.010 3.575 2.570 4.010 . 0 0 "[ . 1 . 2]" 1
1118 1 85 GLN H 1 86 THR H . . 4.630 4.555 4.396 4.606 . 0 0 "[ . 1 . 2]" 1
1119 1 85 GLN HA 1 85 GLN QG . . 3.740 2.613 2.236 3.445 . 0 0 "[ . 1 . 2]" 1
1120 1 85 GLN HA 1 86 THR H . . 3.050 2.297 2.185 2.368 . 0 0 "[ . 1 . 2]" 1
1121 1 85 GLN QB 1 86 THR H . . 4.110 2.666 2.479 2.998 . 0 0 "[ . 1 . 2]" 1
1122 1 86 THR H 1 86 THR HB . . 3.610 2.832 2.725 2.910 . 0 0 "[ . 1 . 2]" 1
1123 1 86 THR H 1 86 THR MG . . 4.620 3.929 3.883 3.966 . 0 0 "[ . 1 . 2]" 1
1124 1 86 THR HA 1 86 THR MG . . 3.590 2.309 2.237 2.418 . 0 0 "[ . 1 . 2]" 1
1125 1 86 THR HA 1 87 THR H . . 3.090 2.177 2.140 2.298 . 0 0 "[ . 1 . 2]" 1
1126 1 86 THR HA 1 87 THR MG . . 4.610 3.779 3.622 4.033 . 0 0 "[ . 1 . 2]" 1
1127 1 86 THR HB 1 87 THR H . . 4.570 4.110 3.769 4.361 . 0 0 "[ . 1 . 2]" 1
1128 1 86 THR MG 1 87 THR H . . 3.670 2.436 1.902 3.131 . 0 0 "[ . 1 . 2]" 1
1129 1 86 THR MG 1 88 SER QB . . 4.490 3.838 3.601 4.445 . 0 0 "[ . 1 . 2]" 1
1130 1 87 THR H 1 87 THR MG . . 3.530 2.026 1.873 2.313 . 0 0 "[ . 1 . 2]" 1
1131 1 87 THR HA 1 87 THR HG1 . . 3.660 3.243 2.335 3.629 . 0 0 "[ . 1 . 2]" 1
1132 1 87 THR HA 1 88 SER H . . 3.080 2.325 2.169 2.386 . 0 0 "[ . 1 . 2]" 1
1133 1 87 THR HB 1 88 SER H . . 4.140 3.882 3.750 4.121 . 0 0 "[ . 1 . 2]" 1
1134 1 87 THR HG1 1 88 SER H . . 4.080 2.850 1.902 4.030 . 0 0 "[ . 1 . 2]" 1
1135 1 87 THR MG 1 89 ALA MB . . 4.950 4.355 4.162 4.578 . 0 0 "[ . 1 . 2]" 1
1136 1 88 SER H 1 88 SER HG . . 4.510 3.238 2.060 4.493 . 0 0 "[ . 1 . 2]" 1
1137 1 88 SER HA 1 89 ALA H . . 3.030 2.187 2.138 2.288 . 0 0 "[ . 1 . 2]" 1
1138 1 88 SER QB 1 89 ALA H . . 3.660 3.165 2.679 3.648 . 0 0 "[ . 1 . 2]" 1
1139 1 89 ALA H 1 89 ALA MB . . 3.600 2.530 2.389 2.617 . 0 0 "[ . 1 . 2]" 1
1140 1 89 ALA HA 1 90 THR H . . 3.030 2.478 2.221 2.568 . 0 0 "[ . 1 . 2]" 1
1141 1 89 ALA HA 1 90 THR HA . . 4.500 4.453 4.348 4.486 . 0 0 "[ . 1 . 2]" 1
1142 1 89 ALA MB 1 90 THR H . . 3.350 2.311 2.101 2.882 . 0 0 "[ . 1 . 2]" 1
1143 1 89 ALA MB 1 90 THR HB . . 4.730 4.668 4.574 4.730 . 17 0 "[ . 1 . 2]" 1
1144 1 90 THR H 1 90 THR HB . . 3.310 2.740 2.403 2.889 . 0 0 "[ . 1 . 2]" 1
1145 1 90 THR H 1 90 THR MG . . 4.090 3.896 3.745 3.953 . 0 0 "[ . 1 . 2]" 1
1146 1 90 THR HA 1 90 THR MG . . 3.320 2.336 2.177 2.466 . 0 0 "[ . 1 . 2]" 1
1147 1 90 THR HA 1 91 LEU H . . 3.090 2.234 2.148 2.335 . 0 0 "[ . 1 . 2]" 1
1148 1 90 THR HB 1 91 LEU H . . 4.890 3.904 3.528 4.172 . 0 0 "[ . 1 . 2]" 1
1149 1 90 THR MG 1 91 LEU H . . 3.630 2.146 1.989 2.437 . 0 0 "[ . 1 . 2]" 1
1150 1 90 THR MG 1 92 THR H . . 4.760 4.398 3.871 4.732 . 0 0 "[ . 1 . 2]" 1
1151 1 90 THR MG 1 92 THR HA . . 5.420 4.130 3.801 4.425 . 0 0 "[ . 1 . 2]" 1
1152 1 91 LEU H 1 91 LEU HB2 . . 4.090 3.005 2.767 3.256 . 0 0 "[ . 1 . 2]" 1
1153 1 91 LEU H 1 91 LEU QB . . 3.540 2.394 2.246 2.609 . 0 0 "[ . 1 . 2]" 1
1154 1 91 LEU H 1 91 LEU HB3 . . 4.090 2.526 2.299 2.828 . 0 0 "[ . 1 . 2]" 1
1155 1 91 LEU HA 1 91 LEU MD1 . . 3.470 2.201 1.987 2.468 . 0 0 "[ . 1 . 2]" 1
1156 1 91 LEU HA 1 91 LEU MD2 . . 4.620 3.908 3.841 4.002 . 0 0 "[ . 1 . 2]" 1
1157 1 91 LEU HA 1 92 THR H . . 2.990 2.186 2.141 2.273 . 0 0 "[ . 1 . 2]" 1
1158 1 91 LEU QB 1 91 LEU MD2 . . 3.150 2.052 1.979 2.094 . 0 0 "[ . 1 . 2]" 1
1159 1 91 LEU QB 1 92 THR H . . 4.280 3.658 3.481 3.894 . 0 0 "[ . 1 . 2]" 1
1160 1 91 LEU HB2 1 91 LEU MD2 . . 3.640 2.394 2.240 2.617 . 0 0 "[ . 1 . 2]" 1
1161 1 91 LEU HB3 1 91 LEU MD2 . . 3.640 2.256 2.048 2.419 . 0 0 "[ . 1 . 2]" 1
1162 1 91 LEU MD1 1 92 THR H . . 3.640 2.361 1.865 3.107 . 0 0 "[ . 1 . 2]" 1
1163 1 91 LEU MD2 1 93 VAL MG2 . . 3.230 2.466 2.085 2.868 . 0 0 "[ . 1 . 2]" 1
1164 1 91 LEU HG 1 92 THR H . . 4.680 2.935 2.516 3.558 . 0 0 "[ . 1 . 2]" 1
1165 1 91 LEU HG 1 93 VAL MG2 . . 3.560 2.352 2.002 2.739 . 0 0 "[ . 1 . 2]" 1
1166 1 92 THR H 1 92 THR HB . . 3.670 2.563 2.418 2.648 . 0 0 "[ . 1 . 2]" 1
1167 1 92 THR H 1 92 THR MG . . 4.410 3.819 3.753 3.860 . 0 0 "[ . 1 . 2]" 1
1168 1 92 THR HA 1 92 THR MG . . 3.290 2.383 2.279 2.479 . 0 0 "[ . 1 . 2]" 1
1169 1 92 THR HA 1 93 VAL H . . 3.040 2.153 2.142 2.191 . 0 0 "[ . 1 . 2]" 1
1170 1 92 THR MG 1 93 VAL H . . 3.860 2.645 2.221 3.123 . 0 0 "[ . 1 . 2]" 1
1171 1 92 THR MG 1 94 THR H . . 5.090 3.922 3.611 4.234 . 0 0 "[ . 1 . 2]" 1
1172 1 93 VAL H 1 93 VAL HB . . 3.730 2.663 2.534 2.750 . 0 0 "[ . 1 . 2]" 1
1173 1 93 VAL H 1 93 VAL MG1 . . 4.590 3.859 3.804 3.896 . 0 0 "[ . 1 . 2]" 1
1174 1 93 VAL H 1 93 VAL MG2 . . 3.720 2.729 2.391 3.028 . 0 0 "[ . 1 . 2]" 1
1175 1 93 VAL HA 1 93 VAL MG1 . . 3.350 2.350 2.267 2.456 . 0 0 "[ . 1 . 2]" 1
1176 1 93 VAL HA 1 93 VAL MG2 . . 3.480 2.418 2.297 2.475 . 0 0 "[ . 1 . 2]" 1
1177 1 93 VAL HA 1 94 THR H . . 2.940 2.145 2.139 2.155 . 0 0 "[ . 1 . 2]" 1
1178 1 93 VAL MG1 1 94 THR H . . 3.720 2.711 2.395 2.949 . 0 0 "[ . 1 . 2]" 1
1179 1 93 VAL MG1 1 95 ALA HA . . 4.790 3.983 3.824 4.211 . 0 0 "[ . 1 . 2]" 1
1180 1 93 VAL MG2 1 94 THR H . . 4.390 4.123 4.026 4.206 . 0 0 "[ . 1 . 2]" 1
1181 1 94 THR H 1 94 THR HB . . 3.550 2.608 2.516 2.714 . 0 0 "[ . 1 . 2]" 1
1182 1 94 THR H 1 94 THR MG . . 3.890 3.804 3.788 3.832 . 0 0 "[ . 1 . 2]" 1
1183 1 94 THR HA 1 94 THR MG . . 3.450 2.281 2.176 2.429 . 0 0 "[ . 1 . 2]" 1
1184 1 94 THR HA 1 95 ALA H . . 2.820 2.180 2.146 2.253 . 0 0 "[ . 1 . 2]" 1
1185 1 94 THR HA 1 95 ALA HA . . 4.670 4.357 4.339 4.377 . 0 0 "[ . 1 . 2]" 1
1186 1 94 THR HA 1 95 ALA MB . . 4.010 3.952 3.902 4.001 . 0 0 "[ . 1 . 2]" 1
1187 1 94 THR HB 1 95 ALA H . . 4.100 4.018 3.761 4.100 0.000 10 0 "[ . 1 . 2]" 1
1188 1 94 THR MG 1 95 ALA H . . 3.850 2.325 1.902 2.770 . 0 0 "[ . 1 . 2]" 1
1189 1 94 THR MG 1 95 ALA HA . . 5.070 4.144 3.937 4.331 . 0 0 "[ . 1 . 2]" 1
1190 1 95 ALA H 1 95 ALA MB . . 3.020 2.140 2.034 2.284 . 0 0 "[ . 1 . 2]" 1
1191 1 95 ALA HA 1 96 LEU H . . 2.840 2.150 2.141 2.176 . 0 0 "[ . 1 . 2]" 1
1192 1 95 ALA HA 1 96 LEU QB . . 4.490 4.206 4.116 4.449 . 0 0 "[ . 1 . 2]" 1
1193 1 95 ALA MB 1 96 LEU H . . 3.550 3.250 3.014 3.465 . 0 0 "[ . 1 . 2]" 1
1194 1 96 LEU H 1 96 LEU QB . . 3.130 2.278 2.135 2.570 . 0 0 "[ . 1 . 2]" 1
1195 1 96 LEU H 1 96 LEU MD1 . . 4.550 3.757 3.159 4.098 . 0 0 "[ . 1 . 2]" 1
1196 1 96 LEU H 1 96 LEU MD2 . . 4.550 3.625 3.479 3.973 . 0 0 "[ . 1 . 2]" 1
1197 1 96 LEU H 1 96 LEU HG . . 3.430 2.709 2.013 3.106 . 0 0 "[ . 1 . 2]" 1
1198 1 96 LEU HA 1 96 LEU MD1 . . 4.250 3.487 3.163 3.940 . 0 0 "[ . 1 . 2]" 1
1199 1 96 LEU HA 1 96 LEU QD . . 3.050 2.689 1.980 3.092 0.042 17 0 "[ . 1 . 2]" 1
1200 1 96 LEU HA 1 96 LEU MD2 . . 4.250 3.264 1.986 4.117 . 0 0 "[ . 1 . 2]" 1
1201 1 96 LEU HA 1 96 LEU HG . . 4.170 3.296 2.525 3.775 . 0 0 "[ . 1 . 2]" 1
1202 1 96 LEU HA 1 97 PRO HD2 . . 3.170 2.294 2.254 2.385 . 0 0 "[ . 1 . 2]" 1
1203 1 96 LEU HA 1 97 PRO HD3 . . 3.080 2.268 2.259 2.294 . 0 0 "[ . 1 . 2]" 1
1204 1 96 LEU HA 1 97 PRO QG . . 4.390 3.938 3.914 3.993 . 0 0 "[ . 1 . 2]" 1
1205 1 96 LEU QB 1 96 LEU MD1 . . 3.210 2.114 1.996 2.170 . 0 0 "[ . 1 . 2]" 1
1206 1 96 LEU QB 1 96 LEU QD . . 2.800 1.868 1.825 1.918 . 0 0 "[ . 1 . 2]" 1
1207 1 96 LEU QB 1 96 LEU MD2 . . 3.210 2.095 1.988 2.283 . 0 0 "[ . 1 . 2]" 1
1208 1 96 LEU QB 1 97 PRO HD2 . . 3.670 2.271 2.089 2.542 . 0 0 "[ . 1 . 2]" 1
1209 1 96 LEU QB 1 97 PRO HD3 . . 4.110 3.544 3.435 3.764 . 0 0 "[ . 1 . 2]" 1
1210 1 96 LEU QD 1 97 PRO HD2 . . 3.490 2.236 1.838 2.749 . 0 0 "[ . 1 . 2]" 1
1211 1 96 LEU QD 1 97 PRO HD3 . . 3.810 3.272 2.496 3.551 . 0 0 "[ . 1 . 2]" 1
1212 1 96 LEU MD1 1 97 PRO HD2 . . 4.510 3.119 2.272 4.301 . 0 0 "[ . 1 . 2]" 1
1213 1 96 LEU MD2 1 97 PRO HD2 . . 4.510 3.307 1.842 4.301 . 0 0 "[ . 1 . 2]" 1
1214 1 97 PRO HA 1 98 SER H . . 3.410 2.388 2.152 3.338 . 0 0 "[ . 1 . 2]" 1
1215 1 99 GLY QA 1 100 PRO QD . . 2.790 1.990 1.904 2.276 . 0 0 "[ . 1 . 2]" 1
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