Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
420038 | 2ee9 RC | 10159 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ee9
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 1573
_Distance_constraint_stats_list.Viol_count 434
_Distance_constraint_stats_list.Viol_total 104.211
_Distance_constraint_stats_list.Viol_max 0.146
_Distance_constraint_stats_list.Viol_rms 0.0031
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0120
_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 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 VAL 0.120 0.120 14 0 "[ . 1 . 2]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.072 0.039 12 0 "[ . 1 . 2]"
1 15 GLY 0.070 0.039 12 0 "[ . 1 . 2]"
1 16 PHE 0.013 0.004 3 0 "[ . 1 . 2]"
1 17 LYS 0.009 0.009 13 0 "[ . 1 . 2]"
1 18 PRO 0.018 0.009 13 0 "[ . 1 . 2]"
1 19 PHE 0.006 0.004 8 0 "[ . 1 . 2]"
1 20 ASP 0.012 0.004 5 0 "[ . 1 . 2]"
1 21 LEU 0.044 0.011 9 0 "[ . 1 . 2]"
1 22 VAL 0.026 0.011 9 0 "[ . 1 . 2]"
1 23 ILE 0.035 0.017 10 0 "[ . 1 . 2]"
1 24 PRO 0.031 0.017 10 0 "[ . 1 . 2]"
1 25 PHE 0.001 0.001 12 0 "[ . 1 . 2]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 VAL 1.898 0.116 6 0 "[ . 1 . 2]"
1 28 ARG 1.996 0.116 6 0 "[ . 1 . 2]"
1 29 LYS 0.177 0.146 17 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.065 0.016 4 0 "[ . 1 . 2]"
1 32 ILE 0.071 0.016 4 0 "[ . 1 . 2]"
1 33 THR 0.004 0.001 14 0 "[ . 1 . 2]"
1 34 GLY 0.016 0.004 2 0 "[ . 1 . 2]"
1 35 GLU 0.029 0.006 7 0 "[ . 1 . 2]"
1 36 VAL 0.098 0.012 13 0 "[ . 1 . 2]"
1 37 HIS 0.014 0.006 13 0 "[ . 1 . 2]"
1 38 MET 0.154 0.084 13 0 "[ . 1 . 2]"
1 39 PRO 0.097 0.084 13 0 "[ . 1 . 2]"
1 40 SER 0.075 0.066 10 0 "[ . 1 . 2]"
1 41 GLY 0.004 0.004 13 0 "[ . 1 . 2]"
1 42 LYS 0.155 0.020 6 0 "[ . 1 . 2]"
1 43 THR 0.166 0.020 6 0 "[ . 1 . 2]"
1 44 ALA 0.013 0.006 13 0 "[ . 1 . 2]"
1 45 THR 0.001 0.001 17 0 "[ . 1 . 2]"
1 46 PRO 0.154 0.018 18 0 "[ . 1 . 2]"
1 47 GLU 0.425 0.086 19 0 "[ . 1 . 2]"
1 48 ILE 0.316 0.042 16 0 "[ . 1 . 2]"
1 49 VAL 0.145 0.042 16 0 "[ . 1 . 2]"
1 50 ASP 0.053 0.013 16 0 "[ . 1 . 2]"
1 51 ASN 0.020 0.005 15 0 "[ . 1 . 2]"
1 52 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ASP 0.015 0.009 6 0 "[ . 1 . 2]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 THR 0.014 0.005 15 0 "[ . 1 . 2]"
1 56 VAL 0.018 0.014 12 0 "[ . 1 . 2]"
1 57 THR 0.258 0.041 15 0 "[ . 1 . 2]"
1 58 VAL 0.026 0.008 12 0 "[ . 1 . 2]"
1 59 ARG 0.491 0.086 19 0 "[ . 1 . 2]"
1 60 TYR 0.058 0.014 18 0 "[ . 1 . 2]"
1 61 ALA 0.030 0.019 7 0 "[ . 1 . 2]"
1 62 PRO 0.051 0.019 7 0 "[ . 1 . 2]"
1 63 THR 0.013 0.004 3 0 "[ . 1 . 2]"
1 64 GLU 0.006 0.002 19 0 "[ . 1 . 2]"
1 65 VAL 0.003 0.001 8 0 "[ . 1 . 2]"
1 66 GLY 0.003 0.003 5 0 "[ . 1 . 2]"
1 67 LEU 0.016 0.003 10 0 "[ . 1 . 2]"
1 68 HIS 0.005 0.002 11 0 "[ . 1 . 2]"
1 69 GLU 0.031 0.019 12 0 "[ . 1 . 2]"
1 70 MET 0.009 0.003 15 0 "[ . 1 . 2]"
1 71 HIS 0.016 0.004 10 0 "[ . 1 . 2]"
1 72 ILE 0.009 0.004 11 0 "[ . 1 . 2]"
1 73 LYS 0.012 0.003 15 0 "[ . 1 . 2]"
1 74 TYR 0.018 0.006 18 0 "[ . 1 . 2]"
1 75 MET 0.003 0.001 6 0 "[ . 1 . 2]"
1 76 GLY 0.001 0.001 10 0 "[ . 1 . 2]"
1 77 SER 0.278 0.069 13 0 "[ . 1 . 2]"
1 78 HIS 0.104 0.034 13 0 "[ . 1 . 2]"
1 79 ILE 0.214 0.022 12 0 "[ . 1 . 2]"
1 80 PRO 0.077 0.020 20 0 "[ . 1 . 2]"
1 81 GLU 0.264 0.042 12 0 "[ . 1 . 2]"
1 82 SER 0.426 0.031 9 0 "[ . 1 . 2]"
1 83 PRO 0.008 0.007 20 0 "[ . 1 . 2]"
1 84 LEU 0.016 0.004 15 0 "[ . 1 . 2]"
1 85 GLN 0.009 0.005 12 0 "[ . 1 . 2]"
1 86 PHE 0.009 0.005 12 0 "[ . 1 . 2]"
1 87 TYR 0.008 0.003 10 0 "[ . 1 . 2]"
1 88 VAL 0.005 0.002 11 0 "[ . 1 . 2]"
1 89 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 TYR 0.003 0.003 13 0 "[ . 1 . 2]"
1 91 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 6 SER QB 1 7 GLY H . . 5.500 3.212 2.056 3.944 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY H 1 8 VAL H . . 5.210 3.821 2.329 4.633 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY QA 1 8 VAL H . . 3.360 2.291 2.111 2.702 . 0 0 "[ . 1 . 2]" 1
4 1 8 VAL H 1 8 VAL HB . . 3.750 2.989 2.412 3.870 0.120 14 0 "[ . 1 . 2]" 1
5 1 8 VAL H 1 8 VAL MG1 . . 4.380 2.899 2.062 3.941 . 0 0 "[ . 1 . 2]" 1
6 1 8 VAL H 1 8 VAL QG . . 3.840 2.304 1.878 2.908 . 0 0 "[ . 1 . 2]" 1
7 1 8 VAL H 1 8 VAL MG2 . . 4.380 3.055 1.930 3.995 . 0 0 "[ . 1 . 2]" 1
8 1 8 VAL H 1 9 SER H . . 5.500 4.116 2.109 4.632 . 0 0 "[ . 1 . 2]" 1
9 1 8 VAL HB 1 9 SER H . . 4.940 3.890 2.448 4.595 . 0 0 "[ . 1 . 2]" 1
10 1 9 SER QB 1 10 ASP H . . 4.620 3.381 2.088 4.014 . 0 0 "[ . 1 . 2]" 1
11 1 10 ASP QB 1 11 MET H . . 4.300 3.159 2.362 4.034 . 0 0 "[ . 1 . 2]" 1
12 1 10 ASP HB2 1 11 MET H . . 4.920 3.848 2.541 4.594 . 0 0 "[ . 1 . 2]" 1
13 1 10 ASP HB3 1 11 MET H . . 4.920 3.617 2.385 4.524 . 0 0 "[ . 1 . 2]" 1
14 1 11 MET H 1 11 MET QG . . 4.860 3.352 1.891 4.356 . 0 0 "[ . 1 . 2]" 1
15 1 13 GLY H 1 14 LEU H . . 4.660 3.600 1.882 4.624 . 0 0 "[ . 1 . 2]" 1
16 1 14 LEU H 1 14 LEU QB . . 3.360 2.536 2.138 3.246 . 0 0 "[ . 1 . 2]" 1
17 1 14 LEU H 1 14 LEU HG . . 3.990 3.123 2.196 3.993 0.003 4 0 "[ . 1 . 2]" 1
18 1 14 LEU H 1 15 GLY H . . 4.190 3.474 2.120 4.184 . 0 0 "[ . 1 . 2]" 1
19 1 14 LEU HA 1 14 LEU MD1 . . 4.270 3.405 2.031 4.079 . 0 0 "[ . 1 . 2]" 1
20 1 14 LEU HA 1 14 LEU QD . . 3.440 2.605 1.945 3.364 . 0 0 "[ . 1 . 2]" 1
21 1 14 LEU HA 1 14 LEU MD2 . . 4.270 2.989 2.178 4.115 . 0 0 "[ . 1 . 2]" 1
22 1 14 LEU HA 1 14 LEU HG . . 3.840 3.166 2.316 3.705 . 0 0 "[ . 1 . 2]" 1
23 1 14 LEU HA 1 15 GLY H . . 3.550 2.713 2.143 3.552 0.002 14 0 "[ . 1 . 2]" 1
24 1 14 LEU HA 1 15 GLY QA . . 4.650 4.044 3.892 4.259 . 0 0 "[ . 1 . 2]" 1
25 1 14 LEU QB 1 14 LEU QD . . 2.670 1.879 1.746 2.052 . 0 0 "[ . 1 . 2]" 1
26 1 14 LEU QB 1 15 GLY H . . 3.790 3.276 2.486 3.818 0.028 12 0 "[ . 1 . 2]" 1
27 1 14 LEU HB2 1 14 LEU MD1 . . 3.600 2.313 2.019 3.188 . 0 0 "[ . 1 . 2]" 1
28 1 14 LEU HB2 1 14 LEU MD2 . . 3.600 2.848 2.381 3.185 . 0 0 "[ . 1 . 2]" 1
29 1 14 LEU HB2 1 15 GLY H . . 4.490 3.657 2.551 4.529 0.039 12 0 "[ . 1 . 2]" 1
30 1 14 LEU HB3 1 14 LEU MD1 . . 3.600 2.691 2.220 3.191 . 0 0 "[ . 1 . 2]" 1
31 1 14 LEU HB3 1 14 LEU MD2 . . 3.600 2.322 1.972 3.189 . 0 0 "[ . 1 . 2]" 1
32 1 14 LEU HB3 1 15 GLY H . . 4.490 3.876 3.249 4.487 . 0 0 "[ . 1 . 2]" 1
33 1 14 LEU QD 1 15 GLY H . . 4.720 3.837 2.374 4.490 . 0 0 "[ . 1 . 2]" 1
34 1 15 GLY H 1 16 PHE H . . 4.030 3.225 2.282 3.982 . 0 0 "[ . 1 . 2]" 1
35 1 15 GLY QA 1 16 PHE HA . . 4.720 4.009 3.932 4.125 . 0 0 "[ . 1 . 2]" 1
36 1 16 PHE H 1 16 PHE QB . . 3.580 2.617 2.353 2.820 . 0 0 "[ . 1 . 2]" 1
37 1 16 PHE H 1 16 PHE QD . . 4.230 2.771 2.030 3.916 . 0 0 "[ . 1 . 2]" 1
38 1 16 PHE HA 1 16 PHE QD . . 3.640 2.761 2.055 3.098 . 0 0 "[ . 1 . 2]" 1
39 1 16 PHE HA 1 17 LYS H . . 2.930 2.227 2.141 2.415 . 0 0 "[ . 1 . 2]" 1
40 1 16 PHE HA 1 88 VAL MG1 . . 4.620 4.144 3.222 4.555 . 0 0 "[ . 1 . 2]" 1
41 1 16 PHE QB 1 17 LYS H . . 3.540 2.898 2.369 3.413 . 0 0 "[ . 1 . 2]" 1
42 1 16 PHE QB 1 62 PRO HB2 . . 4.050 3.098 2.689 3.336 . 0 0 "[ . 1 . 2]" 1
43 1 16 PHE QB 1 62 PRO HB3 . . 4.360 4.200 3.997 4.359 . 0 0 "[ . 1 . 2]" 1
44 1 16 PHE QB 1 62 PRO HD2 . . 3.900 3.410 3.252 3.556 . 0 0 "[ . 1 . 2]" 1
45 1 16 PHE QB 1 62 PRO HD3 . . 4.550 4.395 4.278 4.501 . 0 0 "[ . 1 . 2]" 1
46 1 16 PHE QB 1 62 PRO QG . . 3.560 1.877 1.784 1.982 . 0 0 "[ . 1 . 2]" 1
47 1 16 PHE QB 1 88 VAL MG1 . . 4.070 2.410 2.064 2.668 . 0 0 "[ . 1 . 2]" 1
48 1 16 PHE QB 1 91 PRO HD3 . . 5.340 4.621 3.822 5.311 . 0 0 "[ . 1 . 2]" 1
49 1 16 PHE HB2 1 17 LYS H . . 4.250 3.978 3.534 4.230 . 0 0 "[ . 1 . 2]" 1
50 1 16 PHE HB2 1 62 PRO HB2 . . 4.630 3.424 2.768 3.786 . 0 0 "[ . 1 . 2]" 1
51 1 16 PHE HB2 1 62 PRO HB3 . . 5.010 4.709 4.237 4.951 . 0 0 "[ . 1 . 2]" 1
52 1 16 PHE HB2 1 62 PRO HD2 . . 4.430 3.610 3.443 3.840 . 0 0 "[ . 1 . 2]" 1
53 1 16 PHE HB2 1 62 PRO HD3 . . 5.360 4.820 4.758 4.884 . 0 0 "[ . 1 . 2]" 1
54 1 16 PHE HB2 1 62 PRO HG2 . . 4.920 2.042 1.998 2.141 . 0 0 "[ . 1 . 2]" 1
55 1 16 PHE HB2 1 62 PRO HG3 . . 4.920 3.723 3.530 3.854 . 0 0 "[ . 1 . 2]" 1
56 1 16 PHE HB2 1 88 VAL MG1 . . 4.820 3.430 2.834 3.825 . 0 0 "[ . 1 . 2]" 1
57 1 16 PHE HB3 1 17 LYS H . . 4.250 2.983 2.399 3.602 . 0 0 "[ . 1 . 2]" 1
58 1 16 PHE HB3 1 62 PRO HB2 . . 4.630 3.585 3.293 3.794 . 0 0 "[ . 1 . 2]" 1
59 1 16 PHE HB3 1 62 PRO HB3 . . 5.010 4.747 4.366 4.940 . 0 0 "[ . 1 . 2]" 1
60 1 16 PHE HB3 1 62 PRO HD2 . . 4.430 4.210 3.999 4.411 . 0 0 "[ . 1 . 2]" 1
61 1 16 PHE HB3 1 62 PRO HD3 . . 5.360 5.077 4.754 5.307 . 0 0 "[ . 1 . 2]" 1
62 1 16 PHE HB3 1 62 PRO HG2 . . 4.920 2.262 2.006 2.463 . 0 0 "[ . 1 . 2]" 1
63 1 16 PHE HB3 1 62 PRO HG3 . . 4.920 3.321 2.842 3.563 . 0 0 "[ . 1 . 2]" 1
64 1 16 PHE HB3 1 88 VAL MG1 . . 4.820 2.467 2.083 2.723 . 0 0 "[ . 1 . 2]" 1
65 1 16 PHE QD 1 17 LYS H . . 4.370 3.957 3.038 4.293 . 0 0 "[ . 1 . 2]" 1
66 1 16 PHE QD 1 62 PRO HB2 . . 4.300 3.848 2.418 4.282 . 0 0 "[ . 1 . 2]" 1
67 1 16 PHE QD 1 62 PRO QG . . 4.790 3.567 2.610 3.803 . 0 0 "[ . 1 . 2]" 1
68 1 16 PHE QD 1 63 THR HA . . 4.210 3.219 2.332 3.839 . 0 0 "[ . 1 . 2]" 1
69 1 16 PHE QD 1 65 VAL MG1 . . 4.300 3.411 3.095 3.730 . 0 0 "[ . 1 . 2]" 1
70 1 16 PHE QD 1 88 VAL MG1 . . 3.590 2.486 2.132 2.925 . 0 0 "[ . 1 . 2]" 1
71 1 16 PHE QD 1 90 TYR HA . . 3.830 3.322 2.927 3.719 . 0 0 "[ . 1 . 2]" 1
72 1 16 PHE QD 1 91 PRO HD2 . . 4.970 4.058 3.524 4.800 . 0 0 "[ . 1 . 2]" 1
73 1 16 PHE QD 1 91 PRO HD3 . . 4.790 2.834 2.003 3.687 . 0 0 "[ . 1 . 2]" 1
74 1 16 PHE QE 1 63 THR HA . . 4.390 3.976 2.298 4.394 0.004 3 0 "[ . 1 . 2]" 1
75 1 16 PHE QE 1 64 GLU HA . . 4.720 3.213 2.150 3.965 . 0 0 "[ . 1 . 2]" 1
76 1 16 PHE QE 1 65 VAL H . . 4.600 4.270 3.428 4.583 . 0 0 "[ . 1 . 2]" 1
77 1 16 PHE QE 1 65 VAL MG1 . . 3.410 2.102 1.808 2.537 . 0 0 "[ . 1 . 2]" 1
78 1 16 PHE QE 1 65 VAL MG2 . . 4.300 4.225 4.064 4.301 0.001 8 0 "[ . 1 . 2]" 1
79 1 16 PHE QE 1 90 TYR HA . . 4.270 2.625 2.097 3.545 . 0 0 "[ . 1 . 2]" 1
80 1 16 PHE QE 1 90 TYR QB . . 5.260 3.675 2.530 4.740 . 0 0 "[ . 1 . 2]" 1
81 1 16 PHE QE 1 91 PRO HD2 . . 5.180 3.253 2.003 4.151 . 0 0 "[ . 1 . 2]" 1
82 1 16 PHE QE 1 91 PRO HD3 . . 4.550 3.128 2.203 4.377 . 0 0 "[ . 1 . 2]" 1
83 1 16 PHE HZ 1 64 GLU HA . . 4.300 3.823 2.931 4.271 . 0 0 "[ . 1 . 2]" 1
84 1 16 PHE HZ 1 65 VAL H . . 4.630 4.238 3.895 4.495 . 0 0 "[ . 1 . 2]" 1
85 1 16 PHE HZ 1 65 VAL MG1 . . 3.850 2.400 1.913 3.144 . 0 0 "[ . 1 . 2]" 1
86 1 17 LYS H 1 17 LYS HB2 . . 3.610 2.359 2.170 2.764 . 0 0 "[ . 1 . 2]" 1
87 1 17 LYS H 1 17 LYS QB . . 3.030 2.214 2.118 2.348 . 0 0 "[ . 1 . 2]" 1
88 1 17 LYS H 1 17 LYS HB3 . . 3.610 2.903 2.300 3.574 . 0 0 "[ . 1 . 2]" 1
89 1 17 LYS H 1 17 LYS QG . . 4.090 3.648 2.371 4.071 . 0 0 "[ . 1 . 2]" 1
90 1 17 LYS HA 1 17 LYS QD . . 4.750 3.530 1.995 4.216 . 0 0 "[ . 1 . 2]" 1
91 1 17 LYS HA 1 17 LYS QG . . 3.680 2.441 2.156 2.738 . 0 0 "[ . 1 . 2]" 1
92 1 17 LYS HA 1 18 PRO HD2 . . 3.080 2.205 2.100 2.426 . 0 0 "[ . 1 . 2]" 1
93 1 17 LYS HA 1 18 PRO HD3 . . 3.010 2.261 2.253 2.311 . 0 0 "[ . 1 . 2]" 1
94 1 17 LYS HA 1 18 PRO QG . . 4.290 3.889 3.833 4.019 . 0 0 "[ . 1 . 2]" 1
95 1 17 LYS QB 1 17 LYS QE . . 4.260 2.755 1.966 3.650 . 0 0 "[ . 1 . 2]" 1
96 1 17 LYS QB 1 18 PRO HD2 . . 3.850 3.123 2.108 3.469 . 0 0 "[ . 1 . 2]" 1
97 1 17 LYS HB2 1 18 PRO HD2 . . 4.380 3.777 3.468 4.035 . 0 0 "[ . 1 . 2]" 1
98 1 17 LYS HB3 1 18 PRO HD2 . . 4.380 3.498 2.120 4.221 . 0 0 "[ . 1 . 2]" 1
99 1 17 LYS QD 1 18 PRO HD2 . . 4.350 3.268 1.956 4.291 . 0 0 "[ . 1 . 2]" 1
100 1 17 LYS QE 1 17 LYS QG . . 3.270 2.222 2.063 2.636 . 0 0 "[ . 1 . 2]" 1
101 1 17 LYS QG 1 18 PRO HD2 . . 3.800 2.148 1.816 3.607 . 0 0 "[ . 1 . 2]" 1
102 1 17 LYS QG 1 18 PRO HD3 . . 4.300 3.420 3.136 4.309 0.009 13 0 "[ . 1 . 2]" 1
103 1 18 PRO HA 1 19 PHE H . . 3.270 2.320 2.175 2.562 . 0 0 "[ . 1 . 2]" 1
104 1 18 PRO HA 1 19 PHE HB2 . . 4.780 4.689 4.487 4.779 . 0 0 "[ . 1 . 2]" 1
105 1 18 PRO HA 1 19 PHE HB3 . . 4.470 4.293 4.190 4.448 . 0 0 "[ . 1 . 2]" 1
106 1 18 PRO HA 1 60 TYR H . . 5.500 4.996 4.660 5.453 . 0 0 "[ . 1 . 2]" 1
107 1 18 PRO HA 1 62 PRO HD2 . . 4.610 2.680 2.407 3.237 . 0 0 "[ . 1 . 2]" 1
108 1 18 PRO HA 1 62 PRO HD3 . . 3.730 3.290 2.910 3.697 . 0 0 "[ . 1 . 2]" 1
109 1 18 PRO HA 1 62 PRO HG2 . . 4.890 4.626 4.389 4.892 0.002 12 0 "[ . 1 . 2]" 1
110 1 18 PRO HA 1 62 PRO HG3 . . 4.890 4.520 4.077 4.892 0.002 20 0 "[ . 1 . 2]" 1
111 1 18 PRO QB 1 59 ARG QD . . 4.090 3.211 2.373 4.067 . 0 0 "[ . 1 . 2]" 1
112 1 18 PRO HB2 1 19 PHE H . . 4.210 2.845 2.233 3.364 . 0 0 "[ . 1 . 2]" 1
113 1 18 PRO HB2 1 59 ARG HD2 . . 5.310 4.411 3.720 5.026 . 0 0 "[ . 1 . 2]" 1
114 1 18 PRO HB2 1 59 ARG HD3 . . 5.310 3.752 2.479 5.090 . 0 0 "[ . 1 . 2]" 1
115 1 18 PRO HB3 1 19 PHE H . . 4.210 3.582 3.274 3.889 . 0 0 "[ . 1 . 2]" 1
116 1 18 PRO HB3 1 59 ARG HD2 . . 5.310 4.781 4.160 5.282 . 0 0 "[ . 1 . 2]" 1
117 1 18 PRO HB3 1 59 ARG HD3 . . 5.310 4.192 3.014 5.314 0.004 8 0 "[ . 1 . 2]" 1
118 1 19 PHE H 1 19 PHE HB2 . . 3.870 3.334 3.038 3.534 . 0 0 "[ . 1 . 2]" 1
119 1 19 PHE H 1 19 PHE HB3 . . 3.830 2.502 2.362 2.739 . 0 0 "[ . 1 . 2]" 1
120 1 19 PHE H 1 59 ARG QB . . 5.500 4.986 3.694 5.497 . 0 0 "[ . 1 . 2]" 1
121 1 19 PHE H 1 60 TYR H . . 4.000 3.083 2.766 3.446 . 0 0 "[ . 1 . 2]" 1
122 1 19 PHE H 1 60 TYR QB . . 5.340 4.743 4.271 5.177 . 0 0 "[ . 1 . 2]" 1
123 1 19 PHE H 1 62 PRO HD2 . . 4.980 4.066 3.718 4.591 . 0 0 "[ . 1 . 2]" 1
124 1 19 PHE H 1 62 PRO HD3 . . 4.350 3.574 3.174 4.180 . 0 0 "[ . 1 . 2]" 1
125 1 19 PHE HA 1 19 PHE QD . . 4.230 2.670 2.221 3.024 . 0 0 "[ . 1 . 2]" 1
126 1 19 PHE HA 1 20 ASP H . . 3.400 2.184 2.144 2.196 . 0 0 "[ . 1 . 2]" 1
127 1 19 PHE HA 1 20 ASP HA . . 5.180 4.423 4.397 4.442 . 0 0 "[ . 1 . 2]" 1
128 1 19 PHE HB2 1 60 TYR H . . 5.220 4.918 4.419 5.150 . 0 0 "[ . 1 . 2]" 1
129 1 19 PHE HB2 1 62 PRO HD3 . . 5.500 4.088 3.421 4.790 . 0 0 "[ . 1 . 2]" 1
130 1 19 PHE HB3 1 20 ASP H . . 5.090 4.543 4.483 4.587 . 0 0 "[ . 1 . 2]" 1
131 1 19 PHE HB3 1 60 TYR H . . 4.330 3.292 2.744 3.604 . 0 0 "[ . 1 . 2]" 1
132 1 19 PHE QD 1 20 ASP H . . 5.130 3.587 2.630 4.121 . 0 0 "[ . 1 . 2]" 1
133 1 19 PHE QD 1 60 TYR H . . 4.720 3.244 2.524 4.160 . 0 0 "[ . 1 . 2]" 1
134 1 19 PHE QD 1 70 MET ME . . 4.020 3.018 2.512 3.318 . 0 0 "[ . 1 . 2]" 1
135 1 19 PHE QE 1 21 LEU HB2 . . 4.240 2.985 2.351 3.326 . 0 0 "[ . 1 . 2]" 1
136 1 19 PHE QE 1 21 LEU HB3 . . 4.200 3.563 3.010 4.052 . 0 0 "[ . 1 . 2]" 1
137 1 19 PHE QE 1 21 LEU HG . . 5.070 4.798 4.479 5.069 . 0 0 "[ . 1 . 2]" 1
138 1 19 PHE QE 1 70 MET ME . . 3.630 2.453 1.964 2.986 . 0 0 "[ . 1 . 2]" 1
139 1 19 PHE QE 1 84 LEU MD1 . . 3.810 3.087 2.412 3.637 . 0 0 "[ . 1 . 2]" 1
140 1 19 PHE QE 1 84 LEU MD2 . . 4.660 3.504 2.899 3.865 . 0 0 "[ . 1 . 2]" 1
141 1 19 PHE QE 1 86 PHE QB . . 4.190 3.919 3.006 4.194 0.004 8 0 "[ . 1 . 2]" 1
142 1 19 PHE HZ 1 21 LEU HB2 . . 4.470 2.628 2.266 2.994 . 0 0 "[ . 1 . 2]" 1
143 1 19 PHE HZ 1 21 LEU HB3 . . 4.840 3.588 3.008 3.847 . 0 0 "[ . 1 . 2]" 1
144 1 19 PHE HZ 1 21 LEU MD1 . . 4.670 2.077 1.949 2.286 . 0 0 "[ . 1 . 2]" 1
145 1 19 PHE HZ 1 21 LEU MD2 . . 4.330 4.231 3.986 4.332 0.002 19 0 "[ . 1 . 2]" 1
146 1 19 PHE HZ 1 84 LEU MD1 . . 3.740 3.102 2.615 3.584 . 0 0 "[ . 1 . 2]" 1
147 1 19 PHE HZ 1 84 LEU MD2 . . 4.480 2.967 2.498 3.389 . 0 0 "[ . 1 . 2]" 1
148 1 19 PHE HZ 1 86 PHE QB . . 4.830 4.579 4.105 4.829 . 0 0 "[ . 1 . 2]" 1
149 1 20 ASP H 1 20 ASP QB . . 3.840 2.607 2.203 2.944 . 0 0 "[ . 1 . 2]" 1
150 1 20 ASP HA 1 21 LEU H . . 3.020 2.186 2.139 2.272 . 0 0 "[ . 1 . 2]" 1
151 1 20 ASP HA 1 21 LEU HA . . 4.880 4.423 4.392 4.470 . 0 0 "[ . 1 . 2]" 1
152 1 20 ASP HA 1 21 LEU HB2 . . 4.980 4.610 4.456 4.925 . 0 0 "[ . 1 . 2]" 1
153 1 20 ASP HA 1 21 LEU HB3 . . 4.400 4.373 4.285 4.404 0.004 5 0 "[ . 1 . 2]" 1
154 1 20 ASP HA 1 57 THR MG . . 4.110 3.524 3.093 3.951 . 0 0 "[ . 1 . 2]" 1
155 1 20 ASP HA 1 59 ARG HA . . 3.450 2.557 2.002 2.918 . 0 0 "[ . 1 . 2]" 1
156 1 20 ASP HA 1 59 ARG QB . . 4.310 2.826 1.881 3.973 . 0 0 "[ . 1 . 2]" 1
157 1 20 ASP HA 1 59 ARG QG . . 4.430 3.077 2.106 4.430 . 0 0 "[ . 1 . 2]" 1
158 1 20 ASP HA 1 60 TYR H . . 4.490 4.028 3.563 4.432 . 0 0 "[ . 1 . 2]" 1
159 1 20 ASP QB 1 21 LEU H . . 4.020 3.169 2.722 3.551 . 0 0 "[ . 1 . 2]" 1
160 1 20 ASP QB 1 57 THR MG . . 3.410 3.013 2.310 3.354 . 0 0 "[ . 1 . 2]" 1
161 1 20 ASP QB 1 59 ARG HA . . 4.860 4.161 3.415 4.612 . 0 0 "[ . 1 . 2]" 1
162 1 20 ASP QB 1 59 ARG QG . . 4.570 3.166 2.492 4.565 . 0 0 "[ . 1 . 2]" 1
163 1 21 LEU H 1 21 LEU HB2 . . 4.130 3.341 3.106 3.437 . 0 0 "[ . 1 . 2]" 1
164 1 21 LEU H 1 21 LEU HB3 . . 3.820 2.684 2.306 2.830 . 0 0 "[ . 1 . 2]" 1
165 1 21 LEU H 1 21 LEU MD2 . . 4.240 3.792 3.529 3.942 . 0 0 "[ . 1 . 2]" 1
166 1 21 LEU H 1 22 VAL H . . 4.630 4.355 4.178 4.554 . 0 0 "[ . 1 . 2]" 1
167 1 21 LEU H 1 57 THR HA . . 5.020 4.350 4.081 4.960 . 0 0 "[ . 1 . 2]" 1
168 1 21 LEU H 1 57 THR MG . . 3.930 2.825 2.472 3.281 . 0 0 "[ . 1 . 2]" 1
169 1 21 LEU H 1 58 VAL H . . 3.610 3.449 3.146 3.608 . 0 0 "[ . 1 . 2]" 1
170 1 21 LEU H 1 58 VAL HB . . 4.330 3.920 3.351 4.315 . 0 0 "[ . 1 . 2]" 1
171 1 21 LEU H 1 59 ARG HA . . 4.370 3.416 2.983 3.764 . 0 0 "[ . 1 . 2]" 1
172 1 21 LEU HA 1 21 LEU MD1 . . 4.380 3.601 3.557 3.764 . 0 0 "[ . 1 . 2]" 1
173 1 21 LEU HA 1 21 LEU MD2 . . 3.590 3.461 3.398 3.547 . 0 0 "[ . 1 . 2]" 1
174 1 21 LEU HA 1 21 LEU HG . . 3.980 2.636 2.555 2.760 . 0 0 "[ . 1 . 2]" 1
175 1 21 LEU HA 1 22 VAL H . . 2.730 2.229 2.158 2.299 . 0 0 "[ . 1 . 2]" 1
176 1 21 LEU HA 1 22 VAL HB . . 4.510 4.447 4.263 4.521 0.011 9 0 "[ . 1 . 2]" 1
177 1 21 LEU HA 1 22 VAL MG1 . . 4.140 3.756 3.558 4.070 . 0 0 "[ . 1 . 2]" 1
178 1 21 LEU HB2 1 21 LEU MD1 . . 3.430 2.174 1.980 2.280 . 0 0 "[ . 1 . 2]" 1
179 1 21 LEU HB2 1 21 LEU MD2 . . 3.320 3.136 3.124 3.160 . 0 0 "[ . 1 . 2]" 1
180 1 21 LEU HB2 1 22 VAL H . . 4.180 3.942 3.709 4.132 . 0 0 "[ . 1 . 2]" 1
181 1 21 LEU HB2 1 58 VAL H . . 5.210 5.113 4.934 5.212 0.002 15 0 "[ . 1 . 2]" 1
182 1 21 LEU HB2 1 58 VAL HB . . 4.210 4.162 3.961 4.214 0.004 18 0 "[ . 1 . 2]" 1
183 1 21 LEU HB3 1 21 LEU MD1 . . 3.390 2.607 2.454 2.674 . 0 0 "[ . 1 . 2]" 1
184 1 21 LEU HB3 1 22 VAL H . . 4.400 4.064 3.882 4.234 . 0 0 "[ . 1 . 2]" 1
185 1 21 LEU HB3 1 58 VAL H . . 4.180 3.542 3.293 3.698 . 0 0 "[ . 1 . 2]" 1
186 1 21 LEU HB3 1 58 VAL HB . . 3.650 2.446 2.217 2.554 . 0 0 "[ . 1 . 2]" 1
187 1 21 LEU MD1 1 22 VAL H . . 4.800 3.989 3.693 4.293 . 0 0 "[ . 1 . 2]" 1
188 1 21 LEU MD1 1 23 ILE HA . . 4.860 4.726 4.544 4.862 0.002 2 0 "[ . 1 . 2]" 1
189 1 21 LEU MD1 1 58 VAL HB . . 4.060 3.723 3.484 4.017 . 0 0 "[ . 1 . 2]" 1
190 1 21 LEU MD2 1 22 VAL H . . 3.530 2.924 2.634 3.258 . 0 0 "[ . 1 . 2]" 1
191 1 21 LEU MD2 1 22 VAL HA . . 4.350 2.954 2.628 3.198 . 0 0 "[ . 1 . 2]" 1
192 1 21 LEU MD2 1 23 ILE H . . 4.620 3.029 2.664 3.416 . 0 0 "[ . 1 . 2]" 1
193 1 21 LEU MD2 1 24 PRO HD3 . . 4.520 4.093 3.552 4.402 . 0 0 "[ . 1 . 2]" 1
194 1 21 LEU MD2 1 57 THR HA . . 4.940 3.920 3.560 4.204 . 0 0 "[ . 1 . 2]" 1
195 1 21 LEU MD2 1 58 VAL HB . . 3.270 2.095 1.871 2.652 . 0 0 "[ . 1 . 2]" 1
196 1 21 LEU HG 1 22 VAL H . . 4.320 2.324 1.987 2.709 . 0 0 "[ . 1 . 2]" 1
197 1 21 LEU HG 1 58 VAL H . . 5.500 5.001 4.609 5.377 . 0 0 "[ . 1 . 2]" 1
198 1 22 VAL H 1 22 VAL HB . . 3.210 3.080 2.839 3.207 . 0 0 "[ . 1 . 2]" 1
199 1 22 VAL H 1 22 VAL MG1 . . 3.050 2.050 1.954 2.181 . 0 0 "[ . 1 . 2]" 1
200 1 22 VAL H 1 22 VAL MG2 . . 4.050 3.877 3.851 3.920 . 0 0 "[ . 1 . 2]" 1
201 1 22 VAL H 1 23 ILE H . . 4.680 4.287 4.131 4.423 . 0 0 "[ . 1 . 2]" 1
202 1 22 VAL H 1 57 THR HA . . 5.190 4.874 4.658 5.143 . 0 0 "[ . 1 . 2]" 1
203 1 22 VAL HA 1 22 VAL MG1 . . 3.250 3.191 3.184 3.202 . 0 0 "[ . 1 . 2]" 1
204 1 22 VAL HA 1 22 VAL MG2 . . 3.270 2.352 2.104 2.454 . 0 0 "[ . 1 . 2]" 1
205 1 22 VAL HA 1 23 ILE H . . 3.070 2.150 2.140 2.178 . 0 0 "[ . 1 . 2]" 1
206 1 22 VAL HA 1 23 ILE HB . . 4.890 4.617 4.556 4.674 . 0 0 "[ . 1 . 2]" 1
207 1 22 VAL HA 1 57 THR HA . . 3.800 2.473 2.108 2.885 . 0 0 "[ . 1 . 2]" 1
208 1 22 VAL HA 1 57 THR MG . . 4.430 3.996 3.527 4.435 0.005 18 0 "[ . 1 . 2]" 1
209 1 22 VAL HA 1 58 VAL H . . 3.790 3.211 2.964 3.733 . 0 0 "[ . 1 . 2]" 1
210 1 22 VAL HB 1 23 ILE H . . 4.910 4.275 4.073 4.464 . 0 0 "[ . 1 . 2]" 1
211 1 22 VAL HB 1 57 THR MG . . 4.910 4.199 3.721 4.794 . 0 0 "[ . 1 . 2]" 1
212 1 22 VAL MG1 1 23 ILE H . . 4.180 4.013 3.754 4.130 . 0 0 "[ . 1 . 2]" 1
213 1 22 VAL MG2 1 23 ILE H . . 3.590 2.662 2.154 3.011 . 0 0 "[ . 1 . 2]" 1
214 1 22 VAL MG2 1 23 ILE HB . . 4.180 3.909 3.702 4.180 . 0 0 "[ . 1 . 2]" 1
215 1 22 VAL MG2 1 51 ASN HD21 . . 4.050 3.910 3.132 4.054 0.004 9 0 "[ . 1 . 2]" 1
216 1 22 VAL MG2 1 51 ASN HD22 . . 4.280 3.349 2.849 3.767 . 0 0 "[ . 1 . 2]" 1
217 1 22 VAL MG2 1 55 THR HB . . 3.290 2.882 2.317 3.274 . 0 0 "[ . 1 . 2]" 1
218 1 22 VAL MG2 1 56 VAL H . . 4.070 3.458 2.930 3.928 . 0 0 "[ . 1 . 2]" 1
219 1 22 VAL MG2 1 57 THR HA . . 4.030 3.542 3.174 3.918 . 0 0 "[ . 1 . 2]" 1
220 1 23 ILE H 1 23 ILE HB . . 3.580 2.532 2.437 2.615 . 0 0 "[ . 1 . 2]" 1
221 1 23 ILE H 1 23 ILE MD . . 4.450 3.609 3.538 3.699 . 0 0 "[ . 1 . 2]" 1
222 1 23 ILE H 1 23 ILE HG12 . . 4.070 3.353 3.188 3.549 . 0 0 "[ . 1 . 2]" 1
223 1 23 ILE H 1 23 ILE QG . . 3.560 2.107 1.982 2.302 . 0 0 "[ . 1 . 2]" 1
224 1 23 ILE H 1 23 ILE HG13 . . 4.070 2.129 2.001 2.332 . 0 0 "[ . 1 . 2]" 1
225 1 23 ILE H 1 23 ILE MG . . 4.640 3.763 3.748 3.769 . 0 0 "[ . 1 . 2]" 1
226 1 23 ILE H 1 55 THR HB . . 5.020 4.724 4.166 5.019 . 0 0 "[ . 1 . 2]" 1
227 1 23 ILE H 1 56 VAL H . . 4.560 3.963 3.357 4.433 . 0 0 "[ . 1 . 2]" 1
228 1 23 ILE H 1 57 THR HA . . 3.990 3.681 3.134 3.982 . 0 0 "[ . 1 . 2]" 1
229 1 23 ILE H 1 58 VAL H . . 4.480 4.000 3.607 4.448 . 0 0 "[ . 1 . 2]" 1
230 1 23 ILE H 1 58 VAL MG2 . . 5.340 3.937 3.241 4.352 . 0 0 "[ . 1 . 2]" 1
231 1 23 ILE HA 1 23 ILE MD . . 3.910 3.810 3.795 3.833 . 0 0 "[ . 1 . 2]" 1
232 1 23 ILE HA 1 23 ILE HG12 . . 4.250 2.497 2.465 2.537 . 0 0 "[ . 1 . 2]" 1
233 1 23 ILE HA 1 23 ILE HG13 . . 4.250 3.020 2.944 3.050 . 0 0 "[ . 1 . 2]" 1
234 1 23 ILE HA 1 24 PRO HD2 . . 3.170 2.159 2.118 2.178 . 0 0 "[ . 1 . 2]" 1
235 1 23 ILE HA 1 24 PRO HD3 . . 3.110 2.253 2.252 2.257 . 0 0 "[ . 1 . 2]" 1
236 1 23 ILE HA 1 24 PRO HG2 . . 4.580 4.319 4.287 4.334 . 0 0 "[ . 1 . 2]" 1
237 1 23 ILE HA 1 24 PRO HG3 . . 4.580 4.352 4.338 4.359 . 0 0 "[ . 1 . 2]" 1
238 1 23 ILE HB 1 23 ILE MD . . 3.380 2.421 2.359 2.497 . 0 0 "[ . 1 . 2]" 1
239 1 23 ILE HB 1 24 PRO HD2 . . 4.080 3.972 3.934 4.084 0.004 9 0 "[ . 1 . 2]" 1
240 1 23 ILE HB 1 24 PRO HD3 . . 5.040 4.898 4.876 4.960 . 0 0 "[ . 1 . 2]" 1
241 1 23 ILE HB 1 27 VAL MG1 . . 4.280 3.356 2.737 4.126 . 0 0 "[ . 1 . 2]" 1
242 1 23 ILE HB 1 56 VAL H . . 4.860 3.524 2.844 4.082 . 0 0 "[ . 1 . 2]" 1
243 1 23 ILE HB 1 56 VAL MG2 . . 4.840 3.793 2.920 4.653 . 0 0 "[ . 1 . 2]" 1
244 1 23 ILE MD 1 23 ILE MG . . 3.180 2.036 1.953 2.142 . 0 0 "[ . 1 . 2]" 1
245 1 23 ILE MD 1 24 PRO HD2 . . 4.420 4.235 4.165 4.285 . 0 0 "[ . 1 . 2]" 1
246 1 23 ILE MD 1 24 PRO HD3 . . 5.370 5.343 5.299 5.387 0.017 10 0 "[ . 1 . 2]" 1
247 1 23 ILE MD 1 25 PHE QD . . 4.360 4.089 3.942 4.340 . 0 0 "[ . 1 . 2]" 1
248 1 23 ILE MD 1 25 PHE QE . . 4.140 2.784 2.427 3.216 . 0 0 "[ . 1 . 2]" 1
249 1 23 ILE MD 1 25 PHE HZ . . 4.950 3.441 2.723 3.845 . 0 0 "[ . 1 . 2]" 1
250 1 23 ILE MD 1 56 VAL HB . . 3.960 2.439 2.035 2.894 . 0 0 "[ . 1 . 2]" 1
251 1 23 ILE MD 1 58 VAL MG2 . . 3.480 2.821 2.302 3.226 . 0 0 "[ . 1 . 2]" 1
252 1 23 ILE MD 1 79 ILE HB . . 5.210 5.027 4.741 5.212 0.002 3 0 "[ . 1 . 2]" 1
253 1 23 ILE MD 1 79 ILE MD . . 3.290 3.122 2.819 3.289 . 0 0 "[ . 1 . 2]" 1
254 1 23 ILE MD 1 79 ILE MG . . 4.060 3.468 3.168 3.628 . 0 0 "[ . 1 . 2]" 1
255 1 23 ILE QG 1 25 PHE QD . . 5.340 4.606 4.395 5.081 . 0 0 "[ . 1 . 2]" 1
256 1 23 ILE QG 1 56 VAL HB . . 3.830 3.122 2.323 3.665 . 0 0 "[ . 1 . 2]" 1
257 1 23 ILE QG 1 58 VAL H . . 5.340 3.928 3.264 4.262 . 0 0 "[ . 1 . 2]" 1
258 1 23 ILE QG 1 58 VAL MG2 . . 3.150 2.608 2.014 2.932 . 0 0 "[ . 1 . 2]" 1
259 1 23 ILE HG12 1 58 VAL MG2 . . 3.730 3.313 2.666 3.689 . 0 0 "[ . 1 . 2]" 1
260 1 23 ILE HG13 1 58 VAL MG2 . . 3.730 2.736 2.056 3.105 . 0 0 "[ . 1 . 2]" 1
261 1 23 ILE MG 1 24 PRO HD2 . . 3.710 1.847 1.814 1.925 . 0 0 "[ . 1 . 2]" 1
262 1 23 ILE MG 1 24 PRO HD3 . . 4.040 3.182 3.139 3.323 . 0 0 "[ . 1 . 2]" 1
263 1 23 ILE MG 1 25 PHE H . . 4.330 2.033 1.879 2.199 . 0 0 "[ . 1 . 2]" 1
264 1 23 ILE MG 1 25 PHE HB2 . . 4.870 4.362 4.159 4.454 . 0 0 "[ . 1 . 2]" 1
265 1 23 ILE MG 1 25 PHE QB . . 4.210 3.527 3.466 3.610 . 0 0 "[ . 1 . 2]" 1
266 1 23 ILE MG 1 25 PHE HB3 . . 4.870 3.728 3.642 3.872 . 0 0 "[ . 1 . 2]" 1
267 1 23 ILE MG 1 25 PHE QD . . 4.290 2.068 1.896 2.618 . 0 0 "[ . 1 . 2]" 1
268 1 23 ILE MG 1 25 PHE QE . . 4.310 2.109 1.933 2.301 . 0 0 "[ . 1 . 2]" 1
269 1 23 ILE MG 1 25 PHE HZ . . 4.680 3.490 2.843 3.765 . 0 0 "[ . 1 . 2]" 1
270 1 24 PRO HD2 1 25 PHE QD . . 4.490 2.898 2.769 3.107 . 0 0 "[ . 1 . 2]" 1
271 1 24 PRO HD2 1 25 PHE QE . . 4.860 3.939 3.321 4.219 . 0 0 "[ . 1 . 2]" 1
272 1 24 PRO HD2 1 79 ILE MD . . 4.750 4.285 4.053 4.462 . 0 0 "[ . 1 . 2]" 1
273 1 24 PRO HD3 1 25 PHE QD . . 4.640 4.528 4.402 4.625 . 0 0 "[ . 1 . 2]" 1
274 1 24 PRO HD3 1 79 ILE MD . . 5.330 5.195 4.905 5.329 . 0 0 "[ . 1 . 2]" 1
275 1 24 PRO QG 1 25 PHE QD . . 3.760 2.629 2.158 2.888 . 0 0 "[ . 1 . 2]" 1
276 1 25 PHE H 1 25 PHE QD . . 4.690 2.047 1.910 2.184 . 0 0 "[ . 1 . 2]" 1
277 1 25 PHE H 1 26 ALA H . . 4.810 4.572 4.494 4.618 . 0 0 "[ . 1 . 2]" 1
278 1 25 PHE HA 1 25 PHE QD . . 3.840 3.704 3.692 3.729 . 0 0 "[ . 1 . 2]" 1
279 1 25 PHE HA 1 26 ALA H . . 2.930 2.466 2.312 2.650 . 0 0 "[ . 1 . 2]" 1
280 1 25 PHE HA 1 26 ALA HA . . 4.880 4.353 4.312 4.405 . 0 0 "[ . 1 . 2]" 1
281 1 25 PHE QB 1 26 ALA H . . 3.480 2.456 2.210 2.668 . 0 0 "[ . 1 . 2]" 1
282 1 25 PHE HB2 1 26 ALA H . . 4.000 2.485 2.228 2.709 . 0 0 "[ . 1 . 2]" 1
283 1 25 PHE HB3 1 26 ALA H . . 4.000 3.863 3.669 4.000 . 0 0 "[ . 1 . 2]" 1
284 1 25 PHE QD 1 26 ALA H . . 4.340 2.833 2.338 3.443 . 0 0 "[ . 1 . 2]" 1
285 1 25 PHE QD 1 27 VAL HB . . 5.180 3.877 3.047 4.236 . 0 0 "[ . 1 . 2]" 1
286 1 25 PHE QD 1 79 ILE MD . . 4.850 4.558 4.259 4.851 0.001 12 0 "[ . 1 . 2]" 1
287 1 25 PHE QE 1 27 VAL HA . . 4.890 3.463 2.846 4.600 . 0 0 "[ . 1 . 2]" 1
288 1 25 PHE QE 1 27 VAL HB . . 4.750 2.318 1.999 2.786 . 0 0 "[ . 1 . 2]" 1
289 1 25 PHE QE 1 27 VAL MG1 . . 3.740 2.993 1.969 3.451 . 0 0 "[ . 1 . 2]" 1
290 1 25 PHE QE 1 27 VAL MG2 . . 4.270 3.581 3.149 3.913 . 0 0 "[ . 1 . 2]" 1
291 1 25 PHE QE 1 74 TYR HB2 . . 4.920 3.997 3.062 4.551 . 0 0 "[ . 1 . 2]" 1
292 1 25 PHE QE 1 79 ILE HB . . 4.860 3.438 2.679 3.784 . 0 0 "[ . 1 . 2]" 1
293 1 25 PHE QE 1 79 ILE MD . . 4.380 3.170 2.645 3.644 . 0 0 "[ . 1 . 2]" 1
294 1 25 PHE QE 1 79 ILE MG . . 4.050 2.239 1.883 2.744 . 0 0 "[ . 1 . 2]" 1
295 1 25 PHE QE 1 80 PRO HD3 . . 5.500 5.345 4.700 5.499 . 0 0 "[ . 1 . 2]" 1
296 1 25 PHE HZ 1 27 VAL MG1 . . 4.640 3.089 2.524 3.788 . 0 0 "[ . 1 . 2]" 1
297 1 25 PHE HZ 1 27 VAL MG2 . . 5.090 3.582 2.960 5.061 . 0 0 "[ . 1 . 2]" 1
298 1 25 PHE HZ 1 32 ILE MD . . 5.320 3.475 2.090 4.001 . 0 0 "[ . 1 . 2]" 1
299 1 25 PHE HZ 1 74 TYR HB2 . . 4.480 2.941 2.415 3.467 . 0 0 "[ . 1 . 2]" 1
300 1 25 PHE HZ 1 74 TYR HB3 . . 4.650 3.513 2.903 4.279 . 0 0 "[ . 1 . 2]" 1
301 1 25 PHE HZ 1 79 ILE HB . . 5.500 5.004 3.921 5.486 . 0 0 "[ . 1 . 2]" 1
302 1 25 PHE HZ 1 79 ILE MG . . 3.940 2.705 2.051 3.149 . 0 0 "[ . 1 . 2]" 1
303 1 26 ALA H 1 26 ALA MB . . 3.030 2.284 2.098 2.421 . 0 0 "[ . 1 . 2]" 1
304 1 26 ALA HA 1 27 VAL H . . 2.600 2.223 2.143 2.389 . 0 0 "[ . 1 . 2]" 1
305 1 26 ALA HA 1 27 VAL HB . . 4.960 4.845 4.760 4.942 . 0 0 "[ . 1 . 2]" 1
306 1 26 ALA HA 1 27 VAL MG1 . . 4.020 3.225 3.096 3.318 . 0 0 "[ . 1 . 2]" 1
307 1 26 ALA HA 1 55 THR HA . . 4.660 4.004 3.073 4.638 . 0 0 "[ . 1 . 2]" 1
308 1 26 ALA HA 1 55 THR MG . . 4.530 3.919 2.882 4.440 . 0 0 "[ . 1 . 2]" 1
309 1 26 ALA MB 1 27 VAL H . . 3.250 2.851 2.406 3.176 . 0 0 "[ . 1 . 2]" 1
310 1 27 VAL H 1 27 VAL HB . . 3.820 3.623 3.403 3.798 . 0 0 "[ . 1 . 2]" 1
311 1 27 VAL H 1 27 VAL MG1 . . 2.970 2.114 1.876 2.403 . 0 0 "[ . 1 . 2]" 1
312 1 27 VAL H 1 27 VAL MG2 . . 3.880 3.752 3.693 3.818 . 0 0 "[ . 1 . 2]" 1
313 1 27 VAL H 1 28 ARG H . . 4.500 4.395 4.314 4.481 . 0 0 "[ . 1 . 2]" 1
314 1 27 VAL H 1 55 THR HA . . 4.510 4.046 3.382 4.437 . 0 0 "[ . 1 . 2]" 1
315 1 27 VAL HA 1 27 VAL MG1 . . 3.540 3.142 3.135 3.149 . 0 0 "[ . 1 . 2]" 1
316 1 27 VAL HA 1 27 VAL MG2 . . 3.410 2.601 2.579 2.627 . 0 0 "[ . 1 . 2]" 1
317 1 27 VAL HA 1 28 ARG H . . 3.120 2.371 2.355 2.374 . 0 0 "[ . 1 . 2]" 1
318 1 27 VAL HA 1 74 TYR QE . . 4.550 3.943 3.274 4.405 . 0 0 "[ . 1 . 2]" 1
319 1 27 VAL HB 1 28 ARG H . . 3.420 3.515 3.498 3.536 0.116 6 0 "[ . 1 . 2]" 1
320 1 27 VAL HB 1 74 TYR QD . . 4.790 3.896 3.539 4.144 . 0 0 "[ . 1 . 2]" 1
321 1 27 VAL HB 1 74 TYR QE . . 4.340 3.896 3.412 4.263 . 0 0 "[ . 1 . 2]" 1
322 1 27 VAL MG1 1 28 ARG H . . 4.180 3.884 3.855 3.941 . 0 0 "[ . 1 . 2]" 1
323 1 27 VAL MG1 1 55 THR HA . . 4.500 4.244 3.880 4.499 . 0 0 "[ . 1 . 2]" 1
324 1 27 VAL MG1 1 56 VAL H . . 4.510 4.013 3.763 4.279 . 0 0 "[ . 1 . 2]" 1
325 1 27 VAL MG1 1 56 VAL HB . . 3.640 3.342 2.782 3.641 0.001 6 0 "[ . 1 . 2]" 1
326 1 27 VAL MG2 1 28 ARG H . . 3.640 1.809 1.801 1.831 . 0 0 "[ . 1 . 2]" 1
327 1 27 VAL MG2 1 32 ILE HB . . 3.760 2.996 2.486 3.345 . 0 0 "[ . 1 . 2]" 1
328 1 27 VAL MG2 1 32 ILE MD . . 2.730 2.090 1.786 2.639 . 0 0 "[ . 1 . 2]" 1
329 1 27 VAL MG2 1 32 ILE HG12 . . 4.670 4.389 4.004 4.667 . 0 0 "[ . 1 . 2]" 1
330 1 27 VAL MG2 1 32 ILE QG . . 4.070 3.859 3.573 4.046 . 0 0 "[ . 1 . 2]" 1
331 1 27 VAL MG2 1 32 ILE HG13 . . 4.670 4.288 4.017 4.509 . 0 0 "[ . 1 . 2]" 1
332 1 27 VAL MG2 1 74 TYR QD . . 3.690 2.990 2.552 3.681 . 0 0 "[ . 1 . 2]" 1
333 1 27 VAL MG2 1 74 TYR QE . . 3.470 2.729 2.318 3.311 . 0 0 "[ . 1 . 2]" 1
334 1 28 ARG H 1 28 ARG HB2 . . 3.820 2.824 2.211 3.793 . 0 0 "[ . 1 . 2]" 1
335 1 28 ARG H 1 28 ARG QB . . 2.970 2.521 2.189 2.970 . 0 0 "[ . 1 . 2]" 1
336 1 28 ARG H 1 28 ARG HB3 . . 3.820 3.406 2.319 3.824 0.004 14 0 "[ . 1 . 2]" 1
337 1 28 ARG H 1 28 ARG QG . . 3.570 2.829 1.949 3.663 0.093 12 0 "[ . 1 . 2]" 1
338 1 28 ARG H 1 74 TYR QE . . 4.470 3.364 2.660 4.472 0.002 4 0 "[ . 1 . 2]" 1
339 1 28 ARG HA 1 28 ARG QD . . 4.440 3.554 2.054 4.417 . 0 0 "[ . 1 . 2]" 1
340 1 28 ARG HA 1 28 ARG QG . . 3.580 2.728 2.273 3.441 . 0 0 "[ . 1 . 2]" 1
341 1 28 ARG QB 1 29 LYS H . . 4.150 2.963 1.906 3.912 . 0 0 "[ . 1 . 2]" 1
342 1 28 ARG HB2 1 28 ARG QD . . 3.530 2.697 2.135 3.496 . 0 0 "[ . 1 . 2]" 1
343 1 28 ARG HB3 1 28 ARG QD . . 3.530 2.635 2.101 3.486 . 0 0 "[ . 1 . 2]" 1
344 1 29 LYS H 1 29 LYS QB . . 3.860 2.429 2.163 3.075 . 0 0 "[ . 1 . 2]" 1
345 1 29 LYS H 1 29 LYS QG . . 5.030 3.095 1.889 4.274 . 0 0 "[ . 1 . 2]" 1
346 1 29 LYS HA 1 29 LYS QD . . 4.200 3.863 2.249 4.346 0.146 17 0 "[ . 1 . 2]" 1
347 1 29 LYS HA 1 29 LYS QE . . 4.770 4.443 3.599 4.769 . 0 0 "[ . 1 . 2]" 1
348 1 29 LYS HA 1 29 LYS QG . . 3.740 2.650 2.205 3.380 . 0 0 "[ . 1 . 2]" 1
349 1 29 LYS QB 1 29 LYS QD . . 3.180 2.167 2.022 2.400 . 0 0 "[ . 1 . 2]" 1
350 1 29 LYS QB 1 29 LYS QE . . 4.130 2.628 2.049 3.643 . 0 0 "[ . 1 . 2]" 1
351 1 29 LYS QB 1 30 GLY H . . 4.450 3.625 2.464 4.039 . 0 0 "[ . 1 . 2]" 1
352 1 29 LYS QD 1 50 ASP QB . . 4.610 2.698 1.855 4.080 . 0 0 "[ . 1 . 2]" 1
353 1 29 LYS QE 1 29 LYS QG . . 3.260 2.256 2.113 2.683 . 0 0 "[ . 1 . 2]" 1
354 1 29 LYS QG 1 30 GLY H . . 4.780 3.794 2.076 4.612 . 0 0 "[ . 1 . 2]" 1
355 1 30 GLY H 1 31 GLU H . . 3.920 2.954 2.152 3.730 . 0 0 "[ . 1 . 2]" 1
356 1 30 GLY QA 1 31 GLU H . . 3.000 2.390 2.114 2.610 . 0 0 "[ . 1 . 2]" 1
357 1 30 GLY QA 1 31 GLU QG . . 4.760 3.623 3.076 3.874 . 0 0 "[ . 1 . 2]" 1
358 1 30 GLY HA2 1 31 GLU HA . . 4.840 4.543 4.450 4.618 . 0 0 "[ . 1 . 2]" 1
359 1 30 GLY HA3 1 31 GLU HA . . 4.840 4.363 4.321 4.470 . 0 0 "[ . 1 . 2]" 1
360 1 31 GLU H 1 31 GLU QB . . 2.830 2.366 2.227 2.691 . 0 0 "[ . 1 . 2]" 1
361 1 31 GLU H 1 31 GLU QG . . 2.890 2.824 2.556 2.889 . 0 0 "[ . 1 . 2]" 1
362 1 31 GLU H 1 32 ILE HA . . 5.200 5.012 4.819 5.185 . 0 0 "[ . 1 . 2]" 1
363 1 31 GLU H 1 32 ILE HB . . 4.650 4.341 4.046 4.591 . 0 0 "[ . 1 . 2]" 1
364 1 31 GLU H 1 74 TYR QD . . 4.950 4.647 4.087 4.949 . 0 0 "[ . 1 . 2]" 1
365 1 31 GLU H 1 74 TYR QE . . 4.410 3.695 2.699 4.303 . 0 0 "[ . 1 . 2]" 1
366 1 31 GLU H 1 75 MET QG . . 4.150 3.833 3.222 4.151 0.001 6 0 "[ . 1 . 2]" 1
367 1 31 GLU HA 1 31 GLU QG . . 3.110 2.633 2.284 3.017 . 0 0 "[ . 1 . 2]" 1
368 1 31 GLU HA 1 32 ILE H . . 3.190 2.767 2.257 2.939 . 0 0 "[ . 1 . 2]" 1
369 1 31 GLU HA 1 75 MET H . . 5.050 4.804 4.454 5.045 . 0 0 "[ . 1 . 2]" 1
370 1 31 GLU QB 1 32 ILE H . . 3.800 3.795 3.748 3.816 0.016 4 0 "[ . 1 . 2]" 1
371 1 31 GLU QB 1 74 TYR QD . . 4.180 4.024 3.809 4.179 . 0 0 "[ . 1 . 2]" 1
372 1 31 GLU QB 1 74 TYR QE . . 3.620 3.505 3.144 3.621 0.001 16 0 "[ . 1 . 2]" 1
373 1 31 GLU QB 1 75 MET H . . 3.930 3.251 2.657 3.631 . 0 0 "[ . 1 . 2]" 1
374 1 31 GLU QB 1 75 MET HA . . 4.510 2.282 1.936 2.941 . 0 0 "[ . 1 . 2]" 1
375 1 31 GLU QB 1 75 MET QG . . 3.680 1.938 1.726 2.567 . 0 0 "[ . 1 . 2]" 1
376 1 31 GLU QG 1 75 MET HA . . 4.840 4.114 3.246 4.687 . 0 0 "[ . 1 . 2]" 1
377 1 32 ILE H 1 32 ILE HB . . 3.390 3.056 2.838 3.391 0.001 18 0 "[ . 1 . 2]" 1
378 1 32 ILE H 1 32 ILE HG12 . . 4.760 4.599 4.488 4.756 . 0 0 "[ . 1 . 2]" 1
379 1 32 ILE H 1 32 ILE QG . . 4.180 4.079 4.010 4.182 0.002 13 0 "[ . 1 . 2]" 1
380 1 32 ILE H 1 32 ILE HG13 . . 4.760 4.560 4.499 4.638 . 0 0 "[ . 1 . 2]" 1
381 1 32 ILE H 1 32 ILE MG . . 3.840 2.170 1.889 2.562 . 0 0 "[ . 1 . 2]" 1
382 1 32 ILE H 1 33 THR H . . 4.650 4.460 4.310 4.556 . 0 0 "[ . 1 . 2]" 1
383 1 32 ILE HA 1 32 ILE MD . . 3.630 3.514 3.490 3.582 . 0 0 "[ . 1 . 2]" 1
384 1 32 ILE HA 1 32 ILE HG12 . . 4.240 3.329 3.253 3.401 . 0 0 "[ . 1 . 2]" 1
385 1 32 ILE HA 1 32 ILE HG13 . . 4.240 2.278 2.225 2.342 . 0 0 "[ . 1 . 2]" 1
386 1 32 ILE HA 1 32 ILE MG . . 3.360 3.198 3.189 3.202 . 0 0 "[ . 1 . 2]" 1
387 1 32 ILE HA 1 33 THR H . . 2.640 2.265 2.237 2.303 . 0 0 "[ . 1 . 2]" 1
388 1 32 ILE HA 1 33 THR HA . . 4.980 4.465 4.445 4.480 . 0 0 "[ . 1 . 2]" 1
389 1 32 ILE HA 1 74 TYR HB2 . . 5.090 4.575 3.988 4.916 . 0 0 "[ . 1 . 2]" 1
390 1 32 ILE HA 1 74 TYR QD . . 4.320 3.173 2.704 3.514 . 0 0 "[ . 1 . 2]" 1
391 1 32 ILE HA 1 75 MET H . . 4.720 2.664 2.397 3.094 . 0 0 "[ . 1 . 2]" 1
392 1 32 ILE HB 1 32 ILE MD . . 3.700 2.270 2.199 2.326 . 0 0 "[ . 1 . 2]" 1
393 1 32 ILE HB 1 33 THR H . . 4.060 3.990 3.904 4.060 . 0 0 "[ . 1 . 2]" 1
394 1 32 ILE HB 1 74 TYR QD . . 4.420 2.389 2.022 2.831 . 0 0 "[ . 1 . 2]" 1
395 1 32 ILE MD 1 32 ILE MG . . 2.940 2.288 2.141 2.448 . 0 0 "[ . 1 . 2]" 1
396 1 32 ILE MD 1 33 THR H . . 4.040 3.771 3.648 3.874 . 0 0 "[ . 1 . 2]" 1
397 1 32 ILE MD 1 72 ILE MG . . 2.660 2.563 2.370 2.664 0.004 11 0 "[ . 1 . 2]" 1
398 1 32 ILE MD 1 74 TYR HA . . 3.640 2.915 2.589 3.315 . 0 0 "[ . 1 . 2]" 1
399 1 32 ILE MD 1 74 TYR HB2 . . 3.850 2.269 1.991 2.502 . 0 0 "[ . 1 . 2]" 1
400 1 32 ILE MD 1 74 TYR HB3 . . 4.050 3.822 3.591 4.039 . 0 0 "[ . 1 . 2]" 1
401 1 32 ILE MD 1 74 TYR QD . . 3.580 2.805 2.416 3.107 . 0 0 "[ . 1 . 2]" 1
402 1 32 ILE MD 1 74 TYR QE . . 4.620 4.265 3.955 4.519 . 0 0 "[ . 1 . 2]" 1
403 1 32 ILE MD 1 75 MET H . . 4.750 4.422 4.071 4.751 0.001 14 0 "[ . 1 . 2]" 1
404 1 32 ILE MD 1 79 ILE MG . . 4.470 3.677 3.262 4.075 . 0 0 "[ . 1 . 2]" 1
405 1 32 ILE QG 1 32 ILE MG . . 2.970 2.163 2.020 2.225 . 0 0 "[ . 1 . 2]" 1
406 1 32 ILE QG 1 33 THR H . . 3.830 2.038 1.891 2.146 . 0 0 "[ . 1 . 2]" 1
407 1 32 ILE QG 1 73 LYS H . . 4.990 3.692 3.492 3.959 . 0 0 "[ . 1 . 2]" 1
408 1 32 ILE QG 1 74 TYR QD . . 3.910 3.502 3.273 3.722 . 0 0 "[ . 1 . 2]" 1
409 1 32 ILE HG12 1 32 ILE MG . . 3.560 2.204 2.046 2.273 . 0 0 "[ . 1 . 2]" 1
410 1 32 ILE HG12 1 33 THR H . . 4.420 2.741 2.540 2.859 . 0 0 "[ . 1 . 2]" 1
411 1 32 ILE HG13 1 32 ILE MG . . 3.560 3.148 3.126 3.169 . 0 0 "[ . 1 . 2]" 1
412 1 32 ILE HG13 1 33 THR H . . 4.420 2.104 1.927 2.254 . 0 0 "[ . 1 . 2]" 1
413 1 32 ILE MG 1 33 THR H . . 3.660 3.601 3.511 3.661 0.001 9 0 "[ . 1 . 2]" 1
414 1 32 ILE MG 1 33 THR HA . . 4.210 3.593 3.486 3.696 . 0 0 "[ . 1 . 2]" 1
415 1 32 ILE MG 1 74 TYR QD . . 4.490 4.010 3.694 4.390 . 0 0 "[ . 1 . 2]" 1
416 1 33 THR H 1 33 THR HB . . 4.000 3.867 3.812 3.916 . 0 0 "[ . 1 . 2]" 1
417 1 33 THR H 1 33 THR MG . . 3.570 3.285 3.197 3.483 . 0 0 "[ . 1 . 2]" 1
418 1 33 THR H 1 34 GLY H . . 4.540 4.406 4.371 4.432 . 0 0 "[ . 1 . 2]" 1
419 1 33 THR H 1 48 ILE MD . . 4.500 4.109 3.728 4.500 0.000 4 0 "[ . 1 . 2]" 1
420 1 33 THR H 1 73 LYS HB2 . . 4.420 4.226 3.906 4.384 . 0 0 "[ . 1 . 2]" 1
421 1 33 THR H 1 74 TYR HA . . 4.130 3.665 3.388 3.885 . 0 0 "[ . 1 . 2]" 1
422 1 33 THR HA 1 33 THR MG . . 3.110 2.275 2.170 2.353 . 0 0 "[ . 1 . 2]" 1
423 1 33 THR HA 1 34 GLY H . . 2.830 2.425 2.316 2.568 . 0 0 "[ . 1 . 2]" 1
424 1 33 THR HA 1 34 GLY HA3 . . 4.730 4.311 4.304 4.320 . 0 0 "[ . 1 . 2]" 1
425 1 33 THR HA 1 48 ILE MD . . 3.310 2.716 2.356 3.011 . 0 0 "[ . 1 . 2]" 1
426 1 33 THR HB 1 34 GLY H . . 3.000 2.353 2.041 2.666 . 0 0 "[ . 1 . 2]" 1
427 1 33 THR HB 1 34 GLY HA2 . . 4.870 4.164 4.042 4.233 . 0 0 "[ . 1 . 2]" 1
428 1 33 THR HB 1 34 GLY HA3 . . 4.850 4.697 4.522 4.793 . 0 0 "[ . 1 . 2]" 1
429 1 33 THR HB 1 73 LYS HB2 . . 5.500 5.385 5.085 5.501 0.001 14 0 "[ . 1 . 2]" 1
430 1 33 THR MG 1 34 GLY H . . 3.540 3.458 3.283 3.540 0.000 18 0 "[ . 1 . 2]" 1
431 1 34 GLY H 1 35 GLU H . . 4.490 4.385 4.328 4.453 . 0 0 "[ . 1 . 2]" 1
432 1 34 GLY H 1 45 THR MG . . 4.500 4.053 3.734 4.331 . 0 0 "[ . 1 . 2]" 1
433 1 34 GLY H 1 46 PRO HD2 . . 4.340 3.774 3.554 3.942 . 0 0 "[ . 1 . 2]" 1
434 1 34 GLY H 1 46 PRO HG2 . . 4.560 4.187 3.899 4.370 . 0 0 "[ . 1 . 2]" 1
435 1 34 GLY H 1 46 PRO HG3 . . 5.140 4.858 4.471 5.144 0.004 18 0 "[ . 1 . 2]" 1
436 1 34 GLY H 1 48 ILE MD . . 3.570 3.144 2.669 3.573 0.003 14 0 "[ . 1 . 2]" 1
437 1 34 GLY HA2 1 35 GLU H . . 2.860 2.294 2.248 2.369 . 0 0 "[ . 1 . 2]" 1
438 1 34 GLY HA2 1 35 GLU HA . . 4.780 4.461 4.441 4.497 . 0 0 "[ . 1 . 2]" 1
439 1 34 GLY HA2 1 35 GLU QB . . 4.830 3.910 3.837 3.940 . 0 0 "[ . 1 . 2]" 1
440 1 34 GLY HA2 1 46 PRO HG2 . . 4.460 4.179 3.861 4.391 . 0 0 "[ . 1 . 2]" 1
441 1 34 GLY HA2 1 46 PRO HG3 . . 4.490 3.757 3.517 3.994 . 0 0 "[ . 1 . 2]" 1
442 1 34 GLY HA2 1 48 ILE MD . . 4.600 4.437 4.050 4.604 0.004 2 0 "[ . 1 . 2]" 1
443 1 34 GLY HA2 1 72 ILE HA . . 3.860 2.225 2.038 2.413 . 0 0 "[ . 1 . 2]" 1
444 1 34 GLY HA2 1 72 ILE MD . . 4.510 4.411 4.111 4.511 0.001 17 0 "[ . 1 . 2]" 1
445 1 34 GLY HA2 1 72 ILE HG12 . . 4.880 2.844 2.460 2.972 . 0 0 "[ . 1 . 2]" 1
446 1 34 GLY HA2 1 72 ILE HG13 . . 5.100 3.871 3.393 4.168 . 0 0 "[ . 1 . 2]" 1
447 1 34 GLY HA2 1 72 ILE MG . . 4.280 3.273 3.100 3.417 . 0 0 "[ . 1 . 2]" 1
448 1 34 GLY HA2 1 73 LYS H . . 3.880 3.512 3.248 3.739 . 0 0 "[ . 1 . 2]" 1
449 1 34 GLY HA3 1 35 GLU H . . 3.090 2.880 2.779 2.946 . 0 0 "[ . 1 . 2]" 1
450 1 34 GLY HA3 1 35 GLU HA . . 4.660 4.372 4.347 4.389 . 0 0 "[ . 1 . 2]" 1
451 1 34 GLY HA3 1 46 PRO HB2 . . 5.000 4.519 4.270 4.686 . 0 0 "[ . 1 . 2]" 1
452 1 34 GLY HA3 1 46 PRO HG2 . . 3.610 2.474 2.172 2.685 . 0 0 "[ . 1 . 2]" 1
453 1 34 GLY HA3 1 46 PRO HG3 . . 4.000 2.514 2.295 2.757 . 0 0 "[ . 1 . 2]" 1
454 1 34 GLY HA3 1 48 ILE MD . . 3.800 3.344 2.976 3.585 . 0 0 "[ . 1 . 2]" 1
455 1 34 GLY HA3 1 58 VAL MG1 . . 4.920 4.560 4.097 4.918 . 0 0 "[ . 1 . 2]" 1
456 1 34 GLY HA3 1 72 ILE HA . . 4.040 3.539 3.250 3.846 . 0 0 "[ . 1 . 2]" 1
457 1 34 GLY HA3 1 72 ILE MD . . 4.160 4.004 3.734 4.159 . 0 0 "[ . 1 . 2]" 1
458 1 34 GLY HA3 1 72 ILE HG13 . . 4.930 4.162 3.774 4.507 . 0 0 "[ . 1 . 2]" 1
459 1 34 GLY HA3 1 72 ILE MG . . 4.260 3.473 3.232 3.702 . 0 0 "[ . 1 . 2]" 1
460 1 34 GLY HA3 1 73 LYS H . . 5.200 4.790 4.500 5.012 . 0 0 "[ . 1 . 2]" 1
461 1 35 GLU H 1 35 GLU QB . . 3.310 2.713 2.654 2.789 . 0 0 "[ . 1 . 2]" 1
462 1 35 GLU H 1 36 VAL H . . 4.410 4.395 4.361 4.414 0.004 10 0 "[ . 1 . 2]" 1
463 1 35 GLU H 1 36 VAL MG2 . . 4.670 3.988 3.824 4.314 . 0 0 "[ . 1 . 2]" 1
464 1 35 GLU H 1 46 PRO HD2 . . 4.570 3.767 3.402 4.176 . 0 0 "[ . 1 . 2]" 1
465 1 35 GLU H 1 46 PRO HD3 . . 5.150 3.351 3.095 3.855 . 0 0 "[ . 1 . 2]" 1
466 1 35 GLU H 1 46 PRO HG2 . . 4.630 4.389 3.975 4.627 . 0 0 "[ . 1 . 2]" 1
467 1 35 GLU H 1 46 PRO HG3 . . 4.530 3.260 2.783 3.508 . 0 0 "[ . 1 . 2]" 1
468 1 35 GLU H 1 70 MET HA . . 5.210 4.630 4.371 4.939 . 0 0 "[ . 1 . 2]" 1
469 1 35 GLU H 1 70 MET HG2 . . 4.560 3.844 3.580 4.122 . 0 0 "[ . 1 . 2]" 1
470 1 35 GLU H 1 70 MET HG3 . . 4.410 3.596 3.329 3.854 . 0 0 "[ . 1 . 2]" 1
471 1 35 GLU H 1 71 HIS H . . 3.460 2.823 2.603 3.073 . 0 0 "[ . 1 . 2]" 1
472 1 35 GLU H 1 71 HIS HA . . 5.500 4.743 4.628 4.856 . 0 0 "[ . 1 . 2]" 1
473 1 35 GLU H 1 71 HIS HB2 . . 3.870 3.742 3.516 3.850 . 0 0 "[ . 1 . 2]" 1
474 1 35 GLU H 1 71 HIS HB3 . . 4.660 4.561 4.371 4.660 . 0 0 "[ . 1 . 2]" 1
475 1 35 GLU H 1 72 ILE HA . . 4.000 3.546 3.398 3.732 . 0 0 "[ . 1 . 2]" 1
476 1 35 GLU H 1 72 ILE MD . . 4.980 4.779 4.523 4.970 . 0 0 "[ . 1 . 2]" 1
477 1 35 GLU H 1 72 ILE HG12 . . 4.910 3.577 3.279 3.787 . 0 0 "[ . 1 . 2]" 1
478 1 35 GLU HA 1 35 GLU HG2 . . 4.130 3.276 2.397 3.688 . 0 0 "[ . 1 . 2]" 1
479 1 35 GLU HA 1 35 GLU HG3 . . 4.130 2.577 2.262 3.528 . 0 0 "[ . 1 . 2]" 1
480 1 35 GLU HA 1 36 VAL H . . 2.800 2.336 2.273 2.404 . 0 0 "[ . 1 . 2]" 1
481 1 35 GLU HA 1 46 PRO HD2 . . 3.940 2.887 2.652 3.058 . 0 0 "[ . 1 . 2]" 1
482 1 35 GLU HA 1 46 PRO HD3 . . 3.840 2.532 2.269 2.741 . 0 0 "[ . 1 . 2]" 1
483 1 35 GLU HA 1 46 PRO HG2 . . 4.890 4.837 4.649 4.896 0.006 7 0 "[ . 1 . 2]" 1
484 1 35 GLU QB 1 36 VAL H . . 3.990 3.330 3.251 3.459 . 0 0 "[ . 1 . 2]" 1
485 1 35 GLU QB 1 37 HIS HD2 . . 3.860 3.526 3.268 3.839 . 0 0 "[ . 1 . 2]" 1
486 1 35 GLU QB 1 71 HIS H . . 3.840 3.506 3.186 3.772 . 0 0 "[ . 1 . 2]" 1
487 1 35 GLU QB 1 71 HIS HB2 . . 3.880 2.638 2.294 2.892 . 0 0 "[ . 1 . 2]" 1
488 1 35 GLU QB 1 71 HIS HB3 . . 4.150 3.860 3.599 4.077 . 0 0 "[ . 1 . 2]" 1
489 1 35 GLU QG 1 36 VAL H . . 3.240 2.068 1.918 2.431 . 0 0 "[ . 1 . 2]" 1
490 1 35 GLU QG 1 43 THR HB . . 3.470 3.323 3.104 3.468 . 0 0 "[ . 1 . 2]" 1
491 1 35 GLU QG 1 43 THR MG . . 3.850 3.265 2.687 3.533 . 0 0 "[ . 1 . 2]" 1
492 1 35 GLU QG 1 44 ALA H . . 4.880 3.407 3.155 3.690 . 0 0 "[ . 1 . 2]" 1
493 1 35 GLU QG 1 71 HIS HB2 . . 4.440 4.263 3.936 4.439 . 0 0 "[ . 1 . 2]" 1
494 1 35 GLU HG2 1 36 VAL H . . 3.930 2.710 2.016 3.875 . 0 0 "[ . 1 . 2]" 1
495 1 35 GLU HG2 1 37 HIS HD2 . . 4.750 3.242 2.546 4.751 0.001 13 0 "[ . 1 . 2]" 1
496 1 35 GLU HG2 1 43 THR HB . . 4.240 3.942 3.515 4.241 0.001 1 0 "[ . 1 . 2]" 1
497 1 35 GLU HG2 1 43 THR MG . . 4.380 3.589 2.788 3.998 . 0 0 "[ . 1 . 2]" 1
498 1 35 GLU HG3 1 36 VAL H . . 3.930 2.378 1.982 3.761 . 0 0 "[ . 1 . 2]" 1
499 1 35 GLU HG3 1 37 HIS HD2 . . 4.750 4.260 2.799 4.723 . 0 0 "[ . 1 . 2]" 1
500 1 35 GLU HG3 1 43 THR HB . . 4.240 3.607 3.303 4.241 0.001 13 0 "[ . 1 . 2]" 1
501 1 35 GLU HG3 1 43 THR MG . . 4.380 3.853 3.342 4.274 . 0 0 "[ . 1 . 2]" 1
502 1 36 VAL H 1 36 VAL HB . . 3.120 2.750 2.542 2.855 . 0 0 "[ . 1 . 2]" 1
503 1 36 VAL H 1 36 VAL MG1 . . 4.000 3.888 3.748 3.945 . 0 0 "[ . 1 . 2]" 1
504 1 36 VAL H 1 36 VAL MG2 . . 3.440 2.902 2.677 3.037 . 0 0 "[ . 1 . 2]" 1
505 1 36 VAL H 1 43 THR HB . . 4.530 4.234 3.967 4.402 . 0 0 "[ . 1 . 2]" 1
506 1 36 VAL H 1 43 THR MG . . 4.500 4.391 3.966 4.508 0.008 4 0 "[ . 1 . 2]" 1
507 1 36 VAL H 1 44 ALA H . . 3.280 2.725 2.553 2.889 . 0 0 "[ . 1 . 2]" 1
508 1 36 VAL H 1 44 ALA MB . . 4.330 4.198 4.018 4.314 . 0 0 "[ . 1 . 2]" 1
509 1 36 VAL H 1 45 THR HA . . 3.700 3.337 3.177 3.547 . 0 0 "[ . 1 . 2]" 1
510 1 36 VAL H 1 46 PRO HD2 . . 4.720 4.639 4.505 4.723 0.003 11 0 "[ . 1 . 2]" 1
511 1 36 VAL H 1 46 PRO HD3 . . 3.790 3.518 3.304 3.658 . 0 0 "[ . 1 . 2]" 1
512 1 36 VAL H 1 71 HIS H . . 5.470 4.839 4.727 5.011 . 0 0 "[ . 1 . 2]" 1
513 1 36 VAL HA 1 36 VAL MG1 . . 3.370 2.372 2.219 2.474 . 0 0 "[ . 1 . 2]" 1
514 1 36 VAL HA 1 36 VAL MG2 . . 3.390 2.357 2.263 2.471 . 0 0 "[ . 1 . 2]" 1
515 1 36 VAL HA 1 37 HIS H . . 2.810 2.154 2.140 2.177 . 0 0 "[ . 1 . 2]" 1
516 1 36 VAL HA 1 37 HIS HD2 . . 4.260 3.858 3.592 4.251 . 0 0 "[ . 1 . 2]" 1
517 1 36 VAL HA 1 70 MET HA . . 3.400 2.260 2.109 2.381 . 0 0 "[ . 1 . 2]" 1
518 1 36 VAL HA 1 70 MET HG2 . . 4.910 4.758 4.547 4.910 . 12 0 "[ . 1 . 2]" 1
519 1 36 VAL HA 1 70 MET HG3 . . 4.820 3.397 3.271 3.529 . 0 0 "[ . 1 . 2]" 1
520 1 36 VAL HA 1 71 HIS H . . 3.810 3.461 3.175 3.677 . 0 0 "[ . 1 . 2]" 1
521 1 36 VAL HB 1 37 HIS H . . 4.380 4.207 4.026 4.369 . 0 0 "[ . 1 . 2]" 1
522 1 36 VAL HB 1 44 ALA H . . 3.540 2.915 2.661 3.162 . 0 0 "[ . 1 . 2]" 1
523 1 36 VAL HB 1 46 PRO HD3 . . 5.060 4.162 3.749 4.324 . 0 0 "[ . 1 . 2]" 1
524 1 36 VAL HB 1 70 MET HA . . 5.500 5.070 4.798 5.206 . 0 0 "[ . 1 . 2]" 1
525 1 36 VAL MG1 1 37 HIS H . . 3.320 2.565 2.151 2.885 . 0 0 "[ . 1 . 2]" 1
526 1 36 VAL MG1 1 38 MET H . . 4.530 3.815 3.313 4.288 . 0 0 "[ . 1 . 2]" 1
527 1 36 VAL MG1 1 38 MET HA . . 4.580 3.685 3.411 3.932 . 0 0 "[ . 1 . 2]" 1
528 1 36 VAL MG1 1 38 MET HG2 . . 4.250 3.112 2.840 3.386 . 0 0 "[ . 1 . 2]" 1
529 1 36 VAL MG1 1 38 MET HG3 . . 4.200 3.678 3.292 4.212 0.012 13 0 "[ . 1 . 2]" 1
530 1 36 VAL MG1 1 44 ALA H . . 4.300 3.945 3.307 4.181 . 0 0 "[ . 1 . 2]" 1
531 1 36 VAL MG1 1 68 HIS HB2 . . 4.050 3.833 3.526 4.026 . 0 0 "[ . 1 . 2]" 1
532 1 36 VAL MG1 1 68 HIS HB3 . . 3.660 2.634 2.363 2.812 . 0 0 "[ . 1 . 2]" 1
533 1 36 VAL MG1 1 68 HIS HD2 . . 3.190 2.931 2.597 3.155 . 0 0 "[ . 1 . 2]" 1
534 1 36 VAL MG1 1 69 GLU H . . 4.020 3.799 3.605 4.016 . 0 0 "[ . 1 . 2]" 1
535 1 36 VAL MG1 1 70 MET HA . . 4.390 3.479 3.017 3.903 . 0 0 "[ . 1 . 2]" 1
536 1 36 VAL MG1 1 86 PHE QE . . 4.130 3.324 3.003 3.730 . 0 0 "[ . 1 . 2]" 1
537 1 36 VAL MG1 1 86 PHE HZ . . 3.630 2.358 2.011 2.834 . 0 0 "[ . 1 . 2]" 1
538 1 36 VAL MG2 1 37 HIS H . . 4.310 4.049 3.817 4.161 . 0 0 "[ . 1 . 2]" 1
539 1 36 VAL MG2 1 44 ALA H . . 4.650 4.224 4.018 4.436 . 0 0 "[ . 1 . 2]" 1
540 1 36 VAL MG2 1 46 PRO HB2 . . 4.470 4.137 3.913 4.274 . 0 0 "[ . 1 . 2]" 1
541 1 36 VAL MG2 1 46 PRO HB3 . . 3.730 2.765 2.528 2.906 . 0 0 "[ . 1 . 2]" 1
542 1 36 VAL MG2 1 46 PRO HD2 . . 4.110 3.657 3.535 3.796 . 0 0 "[ . 1 . 2]" 1
543 1 36 VAL MG2 1 46 PRO HD3 . . 3.560 2.133 1.975 2.342 . 0 0 "[ . 1 . 2]" 1
544 1 36 VAL MG2 1 46 PRO HG2 . . 4.320 4.314 4.239 4.332 0.012 13 0 "[ . 1 . 2]" 1
545 1 36 VAL MG2 1 46 PRO HG3 . . 4.580 3.314 3.195 3.414 . 0 0 "[ . 1 . 2]" 1
546 1 36 VAL MG2 1 60 TYR HB2 . . 4.450 3.209 2.691 3.687 . 0 0 "[ . 1 . 2]" 1
547 1 36 VAL MG2 1 60 TYR QB . . 3.840 2.998 2.596 3.369 . 0 0 "[ . 1 . 2]" 1
548 1 36 VAL MG2 1 60 TYR HB3 . . 4.450 3.631 3.156 4.076 . 0 0 "[ . 1 . 2]" 1
549 1 36 VAL MG2 1 70 MET HA . . 3.950 3.101 2.747 3.421 . 0 0 "[ . 1 . 2]" 1
550 1 36 VAL MG2 1 70 MET HB2 . . 4.540 3.125 2.504 3.515 . 0 0 "[ . 1 . 2]" 1
551 1 36 VAL MG2 1 70 MET ME . . 3.130 2.019 1.798 2.499 . 0 0 "[ . 1 . 2]" 1
552 1 36 VAL MG2 1 70 MET HG2 . . 4.080 3.863 3.612 4.066 . 0 0 "[ . 1 . 2]" 1
553 1 36 VAL MG2 1 70 MET HG3 . . 3.390 2.308 2.038 2.585 . 0 0 "[ . 1 . 2]" 1
554 1 36 VAL MG2 1 71 HIS H . . 4.550 3.832 3.572 4.069 . 0 0 "[ . 1 . 2]" 1
555 1 36 VAL MG2 1 86 PHE QE . . 4.480 3.924 3.527 4.291 . 0 0 "[ . 1 . 2]" 1
556 1 36 VAL MG2 1 86 PHE HZ . . 4.480 3.392 3.070 3.864 . 0 0 "[ . 1 . 2]" 1
557 1 37 HIS H 1 37 HIS HB2 . . 3.300 2.311 2.256 2.378 . 0 0 "[ . 1 . 2]" 1
558 1 37 HIS H 1 37 HIS HB3 . . 3.620 3.563 3.509 3.607 . 0 0 "[ . 1 . 2]" 1
559 1 37 HIS H 1 37 HIS HD2 . . 3.740 3.112 2.784 3.387 . 0 0 "[ . 1 . 2]" 1
560 1 37 HIS H 1 38 MET H . . 4.520 4.248 4.037 4.473 . 0 0 "[ . 1 . 2]" 1
561 1 37 HIS H 1 69 GLU H . . 3.530 3.288 3.066 3.508 . 0 0 "[ . 1 . 2]" 1
562 1 37 HIS H 1 69 GLU QB . . 4.010 3.853 3.672 3.999 . 0 0 "[ . 1 . 2]" 1
563 1 37 HIS H 1 70 MET HA . . 3.700 3.219 3.047 3.325 . 0 0 "[ . 1 . 2]" 1
564 1 37 HIS H 1 71 HIS H . . 4.830 4.707 4.450 4.831 0.001 11 0 "[ . 1 . 2]" 1
565 1 37 HIS HA 1 37 HIS HD2 . . 4.490 3.509 3.254 3.720 . 0 0 "[ . 1 . 2]" 1
566 1 37 HIS HA 1 38 MET H . . 2.710 2.170 2.140 2.218 . 0 0 "[ . 1 . 2]" 1
567 1 37 HIS HA 1 38 MET HA . . 4.700 4.428 4.378 4.479 . 0 0 "[ . 1 . 2]" 1
568 1 37 HIS HA 1 43 THR HA . . 3.580 2.924 2.731 3.181 . 0 0 "[ . 1 . 2]" 1
569 1 37 HIS HA 1 43 THR MG . . 3.320 2.751 2.426 3.006 . 0 0 "[ . 1 . 2]" 1
570 1 37 HIS HA 1 44 ALA H . . 4.430 4.133 3.923 4.436 0.006 13 0 "[ . 1 . 2]" 1
571 1 37 HIS HB2 1 38 MET H . . 4.760 4.513 4.362 4.586 . 0 0 "[ . 1 . 2]" 1
572 1 37 HIS HB2 1 69 GLU H . . 3.750 3.092 2.790 3.481 . 0 0 "[ . 1 . 2]" 1
573 1 37 HIS HB2 1 69 GLU QB . . 3.500 2.565 2.229 2.799 . 0 0 "[ . 1 . 2]" 1
574 1 37 HIS HB3 1 38 MET H . . 3.960 3.739 3.376 3.960 . 0 0 "[ . 1 . 2]" 1
575 1 37 HIS HB3 1 69 GLU H . . 4.100 3.861 3.393 4.099 . 0 0 "[ . 1 . 2]" 1
576 1 37 HIS HB3 1 69 GLU QB . . 3.930 3.573 3.043 3.935 0.005 11 0 "[ . 1 . 2]" 1
577 1 37 HIS HD2 1 43 THR MG . . 4.210 3.849 3.139 4.210 . 0 0 "[ . 1 . 2]" 1
578 1 37 HIS HD2 1 70 MET HA . . 4.960 4.586 4.368 4.940 . 0 0 "[ . 1 . 2]" 1
579 1 37 HIS HD2 1 71 HIS H . . 4.830 4.620 4.466 4.827 . 0 0 "[ . 1 . 2]" 1
580 1 37 HIS HD2 1 71 HIS HD2 . . 4.090 3.964 3.283 4.091 0.001 1 0 "[ . 1 . 2]" 1
581 1 37 HIS HE1 1 43 THR MG . . 4.130 3.806 3.414 4.122 . 0 0 "[ . 1 . 2]" 1
582 1 38 MET H 1 38 MET HB2 . . 4.170 2.548 2.457 2.604 . 0 0 "[ . 1 . 2]" 1
583 1 38 MET H 1 38 MET HG2 . . 3.530 3.148 2.016 3.396 . 0 0 "[ . 1 . 2]" 1
584 1 38 MET H 1 38 MET HG3 . . 3.310 2.323 2.128 3.339 0.029 13 0 "[ . 1 . 2]" 1
585 1 38 MET H 1 42 LYS H . . 4.610 3.734 3.520 4.384 . 0 0 "[ . 1 . 2]" 1
586 1 38 MET H 1 43 THR HA . . 3.720 2.843 2.556 2.970 . 0 0 "[ . 1 . 2]" 1
587 1 38 MET H 1 44 ALA H . . 4.980 4.475 4.290 4.744 . 0 0 "[ . 1 . 2]" 1
588 1 38 MET H 1 68 HIS HD2 . . 4.620 4.339 4.112 4.546 . 0 0 "[ . 1 . 2]" 1
589 1 38 MET HA 1 38 MET HG2 . . 4.030 2.532 2.431 2.926 . 0 0 "[ . 1 . 2]" 1
590 1 38 MET HA 1 38 MET HG3 . . 4.250 3.320 3.240 3.829 . 0 0 "[ . 1 . 2]" 1
591 1 38 MET HA 1 39 PRO HD2 . . 3.470 2.334 2.257 2.398 . 0 0 "[ . 1 . 2]" 1
592 1 38 MET HA 1 39 PRO HD3 . . 3.220 2.278 2.260 2.299 . 0 0 "[ . 1 . 2]" 1
593 1 38 MET HA 1 39 PRO HG2 . . 4.880 4.459 4.398 4.511 . 0 0 "[ . 1 . 2]" 1
594 1 38 MET HA 1 39 PRO HG3 . . 4.510 4.434 4.394 4.471 . 0 0 "[ . 1 . 2]" 1
595 1 38 MET HA 1 42 LYS H . . 5.240 4.753 4.640 5.014 . 0 0 "[ . 1 . 2]" 1
596 1 38 MET HA 1 68 HIS HA . . 4.060 3.344 3.111 3.446 . 0 0 "[ . 1 . 2]" 1
597 1 38 MET HA 1 68 HIS HB3 . . 4.220 3.664 3.422 3.872 . 0 0 "[ . 1 . 2]" 1
598 1 38 MET HA 1 68 HIS HD2 . . 4.060 2.192 2.002 2.509 . 0 0 "[ . 1 . 2]" 1
599 1 38 MET HA 1 69 GLU H . . 4.660 4.372 4.115 4.549 . 0 0 "[ . 1 . 2]" 1
600 1 38 MET HB2 1 39 PRO HD2 . . 4.000 3.631 3.510 3.796 . 0 0 "[ . 1 . 2]" 1
601 1 38 MET HB2 1 40 SER H . . 3.520 3.397 3.194 3.530 0.010 13 0 "[ . 1 . 2]" 1
602 1 38 MET HB2 1 41 GLY H . . 3.820 2.993 2.906 3.140 . 0 0 "[ . 1 . 2]" 1
603 1 38 MET HB2 1 42 LYS H . . 2.970 2.018 1.916 2.172 . 0 0 "[ . 1 . 2]" 1
604 1 38 MET HB2 1 42 LYS HA . . 4.310 4.159 3.807 4.309 . 0 0 "[ . 1 . 2]" 1
605 1 38 MET HB2 1 68 HIS HD2 . . 4.680 4.494 4.307 4.607 . 0 0 "[ . 1 . 2]" 1
606 1 38 MET HB3 1 39 PRO HD2 . . 3.330 2.122 1.976 2.296 . 0 0 "[ . 1 . 2]" 1
607 1 38 MET HB3 1 40 SER H . . 4.710 2.737 2.546 2.870 . 0 0 "[ . 1 . 2]" 1
608 1 38 MET HB3 1 41 GLY H . . 4.600 3.688 3.560 3.933 . 0 0 "[ . 1 . 2]" 1
609 1 38 MET HB3 1 42 LYS H . . 4.890 3.419 3.236 3.616 . 0 0 "[ . 1 . 2]" 1
610 1 38 MET ME 1 38 MET HG2 . . 3.620 2.854 2.618 3.029 . 0 0 "[ . 1 . 2]" 1
611 1 38 MET ME 1 38 MET HG3 . . 3.440 2.133 1.993 2.363 . 0 0 "[ . 1 . 2]" 1
612 1 38 MET ME 1 43 THR H . . 3.710 3.019 2.615 3.724 0.014 13 0 "[ . 1 . 2]" 1
613 1 38 MET ME 1 43 THR HA . . 3.900 3.312 2.988 3.692 . 0 0 "[ . 1 . 2]" 1
614 1 38 MET ME 1 44 ALA H . . 3.740 3.551 3.312 3.739 . 0 0 "[ . 1 . 2]" 1
615 1 38 MET ME 1 44 ALA MB . . 2.780 1.942 1.793 2.168 . 0 0 "[ . 1 . 2]" 1
616 1 38 MET HG2 1 39 PRO HD2 . . 5.080 3.654 3.489 4.430 . 0 0 "[ . 1 . 2]" 1
617 1 38 MET HG2 1 42 LYS H . . 5.150 4.963 4.548 5.144 . 0 0 "[ . 1 . 2]" 1
618 1 38 MET HG2 1 42 LYS HB3 . . 5.500 5.070 3.821 5.402 . 0 0 "[ . 1 . 2]" 1
619 1 38 MET HG2 1 44 ALA MB . . 3.960 3.864 3.670 3.961 0.001 10 0 "[ . 1 . 2]" 1
620 1 38 MET HG2 1 68 HIS HD2 . . 4.070 2.277 2.018 3.460 . 0 0 "[ . 1 . 2]" 1
621 1 38 MET HG3 1 39 PRO HD2 . . 5.180 4.669 4.388 4.752 . 0 0 "[ . 1 . 2]" 1
622 1 38 MET HG3 1 39 PRO HD3 . . 5.500 5.459 5.388 5.584 0.084 13 0 "[ . 1 . 2]" 1
623 1 38 MET HG3 1 42 LYS H . . 4.450 4.011 3.736 4.211 . 0 0 "[ . 1 . 2]" 1
624 1 38 MET HG3 1 42 LYS HB2 . . 4.050 3.194 1.995 3.508 . 0 0 "[ . 1 . 2]" 1
625 1 38 MET HG3 1 43 THR HA . . 4.700 3.001 2.807 3.351 . 0 0 "[ . 1 . 2]" 1
626 1 38 MET HG3 1 44 ALA MB . . 4.550 3.484 3.277 3.973 . 0 0 "[ . 1 . 2]" 1
627 1 38 MET HG3 1 68 HIS HD2 . . 4.430 3.842 3.600 4.430 . 0 0 "[ . 1 . 2]" 1
628 1 39 PRO HA 1 41 GLY H . . 3.960 3.862 3.747 3.923 . 0 0 "[ . 1 . 2]" 1
629 1 39 PRO HB2 1 40 SER H . . 3.650 3.460 3.286 3.643 . 0 0 "[ . 1 . 2]" 1
630 1 39 PRO HB2 1 66 GLY HA2 . . 4.890 4.620 4.153 4.876 . 0 0 "[ . 1 . 2]" 1
631 1 39 PRO HB2 1 66 GLY HA3 . . 4.750 3.133 2.668 3.540 . 0 0 "[ . 1 . 2]" 1
632 1 39 PRO HB2 1 67 LEU H . . 4.090 3.340 2.955 3.677 . 0 0 "[ . 1 . 2]" 1
633 1 39 PRO HB3 1 40 SER H . . 4.410 4.214 4.113 4.321 . 0 0 "[ . 1 . 2]" 1
634 1 39 PRO HB3 1 66 GLY HA2 . . 5.190 4.609 4.044 4.865 . 0 0 "[ . 1 . 2]" 1
635 1 39 PRO HB3 1 66 GLY HA3 . . 4.660 3.271 2.718 3.487 . 0 0 "[ . 1 . 2]" 1
636 1 39 PRO HB3 1 67 LEU H . . 4.900 2.394 1.899 2.665 . 0 0 "[ . 1 . 2]" 1
637 1 39 PRO HD2 1 40 SER H . . 3.970 2.668 2.647 2.730 . 0 0 "[ . 1 . 2]" 1
638 1 39 PRO HD2 1 64 GLU QB . . 4.030 3.647 3.178 3.873 . 0 0 "[ . 1 . 2]" 1
639 1 39 PRO HD2 1 68 HIS HA . . 4.650 4.370 4.071 4.650 . 13 0 "[ . 1 . 2]" 1
640 1 39 PRO HD2 1 68 HIS HE1 . . 4.770 3.522 3.212 3.854 . 0 0 "[ . 1 . 2]" 1
641 1 39 PRO HD3 1 64 GLU QB . . 5.340 4.999 4.479 5.247 . 0 0 "[ . 1 . 2]" 1
642 1 39 PRO HD3 1 68 HIS HA . . 4.460 2.734 2.369 3.071 . 0 0 "[ . 1 . 2]" 1
643 1 39 PRO HD3 1 68 HIS HE1 . . 5.070 3.533 3.140 3.842 . 0 0 "[ . 1 . 2]" 1
644 1 39 PRO HG2 1 40 SER HA . . 5.170 4.263 4.218 4.351 . 0 0 "[ . 1 . 2]" 1
645 1 39 PRO HG2 1 66 GLY HA2 . . 5.030 4.923 4.800 5.033 0.003 5 0 "[ . 1 . 2]" 1
646 1 39 PRO HG2 1 66 GLY HA3 . . 4.110 3.177 3.047 3.299 . 0 0 "[ . 1 . 2]" 1
647 1 39 PRO HG2 1 67 LEU H . . 4.400 4.280 3.964 4.403 0.003 8 0 "[ . 1 . 2]" 1
648 1 39 PRO HG2 1 68 HIS HE1 . . 4.800 3.668 3.398 4.271 . 0 0 "[ . 1 . 2]" 1
649 1 39 PRO HG3 1 66 GLY HA2 . . 4.410 3.892 3.709 4.081 . 0 0 "[ . 1 . 2]" 1
650 1 39 PRO HG3 1 66 GLY HA3 . . 4.160 2.267 2.002 2.487 . 0 0 "[ . 1 . 2]" 1
651 1 39 PRO HG3 1 67 LEU H . . 4.200 2.914 2.582 3.247 . 0 0 "[ . 1 . 2]" 1
652 1 39 PRO HG3 1 68 HIS HE1 . . 4.990 2.814 2.490 3.439 . 0 0 "[ . 1 . 2]" 1
653 1 40 SER H 1 40 SER HB2 . . 3.530 2.443 2.184 2.779 . 0 0 "[ . 1 . 2]" 1
654 1 40 SER H 1 40 SER QB . . 2.860 2.244 2.163 2.565 . 0 0 "[ . 1 . 2]" 1
655 1 40 SER H 1 40 SER HB3 . . 3.530 2.935 2.355 3.596 0.066 10 0 "[ . 1 . 2]" 1
656 1 40 SER H 1 41 GLY H . . 3.240 2.495 2.368 2.556 . 0 0 "[ . 1 . 2]" 1
657 1 40 SER H 1 42 LYS H . . 4.280 3.667 3.451 3.784 . 0 0 "[ . 1 . 2]" 1
658 1 40 SER H 1 64 GLU QB . . 4.540 4.156 3.718 4.446 . 0 0 "[ . 1 . 2]" 1
659 1 40 SER HA 1 41 GLY H . . 3.450 3.426 3.347 3.446 . 0 0 "[ . 1 . 2]" 1
660 1 40 SER QB 1 42 LYS H . . 4.260 3.330 2.894 3.509 . 0 0 "[ . 1 . 2]" 1
661 1 40 SER HB2 1 41 GLY H . . 4.350 3.769 3.061 4.236 . 0 0 "[ . 1 . 2]" 1
662 1 40 SER HB3 1 41 GLY H . . 4.350 3.405 3.051 4.112 . 0 0 "[ . 1 . 2]" 1
663 1 41 GLY H 1 41 GLY QA . . 2.560 2.335 2.316 2.344 . 0 0 "[ . 1 . 2]" 1
664 1 41 GLY H 1 42 LYS H . . 3.020 2.002 1.950 2.270 . 0 0 "[ . 1 . 2]" 1
665 1 41 GLY H 1 42 LYS HB2 . . 4.340 4.163 4.010 4.321 . 0 0 "[ . 1 . 2]" 1
666 1 41 GLY H 1 42 LYS QG . . 4.580 4.258 4.045 4.584 0.004 13 0 "[ . 1 . 2]" 1
667 1 42 LYS H 1 42 LYS HB2 . . 3.340 2.447 2.320 2.555 . 0 0 "[ . 1 . 2]" 1
668 1 42 LYS H 1 42 LYS HB3 . . 3.900 3.656 3.566 3.715 . 0 0 "[ . 1 . 2]" 1
669 1 42 LYS H 1 42 LYS QE . . 5.340 4.842 3.072 5.300 . 0 0 "[ . 1 . 2]" 1
670 1 42 LYS H 1 42 LYS QG . . 3.110 2.976 2.603 3.116 0.006 4 0 "[ . 1 . 2]" 1
671 1 42 LYS H 1 43 THR H . . 4.520 4.459 4.419 4.511 . 0 0 "[ . 1 . 2]" 1
672 1 42 LYS HA 1 42 LYS HD2 . . 4.860 4.085 2.000 4.848 . 0 0 "[ . 1 . 2]" 1
673 1 42 LYS HA 1 42 LYS QD . . 4.240 3.550 1.987 4.194 . 0 0 "[ . 1 . 2]" 1
674 1 42 LYS HA 1 42 LYS HD3 . . 4.860 4.144 2.193 4.727 . 0 0 "[ . 1 . 2]" 1
675 1 42 LYS HA 1 42 LYS QE . . 4.630 3.750 1.925 4.606 . 0 0 "[ . 1 . 2]" 1
676 1 42 LYS HA 1 42 LYS HG2 . . 3.710 2.588 2.306 3.054 . 0 0 "[ . 1 . 2]" 1
677 1 42 LYS HA 1 42 LYS QG . . 3.120 2.450 2.264 2.908 . 0 0 "[ . 1 . 2]" 1
678 1 42 LYS HA 1 42 LYS HG3 . . 3.710 3.191 2.664 3.680 . 0 0 "[ . 1 . 2]" 1
679 1 42 LYS HA 1 43 THR H . . 2.640 2.582 2.505 2.653 0.013 6 0 "[ . 1 . 2]" 1
680 1 42 LYS HA 1 43 THR HA . . 4.880 4.513 4.469 4.569 . 0 0 "[ . 1 . 2]" 1
681 1 42 LYS HB2 1 42 LYS QE . . 3.820 3.197 2.115 3.820 . 1 0 "[ . 1 . 2]" 1
682 1 42 LYS HB2 1 43 THR H . . 3.540 3.409 3.212 3.532 . 0 0 "[ . 1 . 2]" 1
683 1 42 LYS HB3 1 42 LYS QE . . 3.540 2.437 1.997 3.557 0.017 6 0 "[ . 1 . 2]" 1
684 1 42 LYS HB3 1 43 THR H . . 3.510 2.055 1.918 2.202 . 0 0 "[ . 1 . 2]" 1
685 1 42 LYS QE 1 42 LYS QG . . 3.060 2.329 2.054 2.646 . 0 0 "[ . 1 . 2]" 1
686 1 42 LYS QG 1 43 THR H . . 3.860 3.722 3.472 3.880 0.020 6 0 "[ . 1 . 2]" 1
687 1 43 THR H 1 43 THR HB . . 3.970 3.794 3.705 3.853 . 0 0 "[ . 1 . 2]" 1
688 1 43 THR H 1 43 THR MG . . 3.510 3.295 3.130 3.516 0.006 13 0 "[ . 1 . 2]" 1
689 1 43 THR H 1 44 ALA H . . 4.540 4.405 4.356 4.444 . 0 0 "[ . 1 . 2]" 1
690 1 43 THR H 1 44 ALA MB . . 5.340 4.407 4.275 4.543 . 0 0 "[ . 1 . 2]" 1
691 1 43 THR HA 1 43 THR MG . . 3.270 2.267 2.078 2.325 . 0 0 "[ . 1 . 2]" 1
692 1 43 THR HA 1 44 ALA H . . 2.770 2.296 2.230 2.342 . 0 0 "[ . 1 . 2]" 1
693 1 43 THR HA 1 44 ALA MB . . 4.400 3.809 3.733 3.885 . 0 0 "[ . 1 . 2]" 1
694 1 43 THR HB 1 44 ALA H . . 3.140 2.691 2.546 2.900 . 0 0 "[ . 1 . 2]" 1
695 1 43 THR HB 1 44 ALA HA . . 4.140 4.061 3.967 4.136 . 0 0 "[ . 1 . 2]" 1
696 1 43 THR MG 1 44 ALA H . . 3.630 3.490 3.278 3.605 . 0 0 "[ . 1 . 2]" 1
697 1 44 ALA H 1 44 ALA MB . . 3.210 2.742 2.705 2.788 . 0 0 "[ . 1 . 2]" 1
698 1 44 ALA H 1 45 THR H . . 4.650 4.295 4.225 4.356 . 0 0 "[ . 1 . 2]" 1
699 1 44 ALA HA 1 45 THR H . . 2.840 2.268 2.208 2.353 . 0 0 "[ . 1 . 2]" 1
700 1 44 ALA MB 1 45 THR H . . 2.930 2.748 2.474 2.931 0.001 17 0 "[ . 1 . 2]" 1
701 1 44 ALA MB 1 60 TYR HE1 . . 3.330 2.529 1.917 2.895 . 0 0 "[ . 1 . 2]" 1
702 1 44 ALA MB 1 60 TYR HE2 . . 5.390 5.070 3.713 5.394 0.004 11 0 "[ . 1 . 2]" 1
703 1 45 THR H 1 45 THR HB . . 3.710 3.629 3.571 3.673 . 0 0 "[ . 1 . 2]" 1
704 1 45 THR H 1 45 THR MG . . 3.230 2.809 2.502 3.113 . 0 0 "[ . 1 . 2]" 1
705 1 45 THR H 1 46 PRO HD2 . . 5.020 4.838 4.831 4.842 . 0 0 "[ . 1 . 2]" 1
706 1 45 THR H 1 46 PRO HD3 . . 5.090 4.888 4.778 4.945 . 0 0 "[ . 1 . 2]" 1
707 1 45 THR HA 1 45 THR MG . . 3.220 2.167 2.068 2.253 . 0 0 "[ . 1 . 2]" 1
708 1 45 THR HA 1 46 PRO HD2 . . 3.250 2.163 2.077 2.238 . 0 0 "[ . 1 . 2]" 1
709 1 45 THR HA 1 46 PRO HD3 . . 3.300 2.257 2.254 2.268 . 0 0 "[ . 1 . 2]" 1
710 1 45 THR HA 1 46 PRO HG2 . . 4.610 4.323 4.255 4.382 . 0 0 "[ . 1 . 2]" 1
711 1 45 THR HA 1 46 PRO HG3 . . 4.800 4.356 4.327 4.386 . 0 0 "[ . 1 . 2]" 1
712 1 45 THR HB 1 46 PRO HD2 . . 4.250 2.610 2.374 2.976 . 0 0 "[ . 1 . 2]" 1
713 1 45 THR HB 1 46 PRO HD3 . . 4.580 3.954 3.769 4.224 . 0 0 "[ . 1 . 2]" 1
714 1 45 THR MG 1 46 PRO HD2 . . 3.390 3.026 2.821 3.174 . 0 0 "[ . 1 . 2]" 1
715 1 45 THR MG 1 46 PRO HD3 . . 3.930 3.818 3.716 3.918 . 0 0 "[ . 1 . 2]" 1
716 1 46 PRO HA 1 47 GLU H . . 3.020 2.535 2.381 2.645 . 0 0 "[ . 1 . 2]" 1
717 1 46 PRO HA 1 47 GLU HB2 . . 5.200 4.264 4.160 4.587 . 0 0 "[ . 1 . 2]" 1
718 1 46 PRO HA 1 47 GLU HB3 . . 5.200 5.055 4.665 5.215 0.015 18 0 "[ . 1 . 2]" 1
719 1 46 PRO HA 1 60 TYR QB . . 5.060 2.324 1.991 2.864 . 0 0 "[ . 1 . 2]" 1
720 1 46 PRO HA 1 70 MET ME . . 4.410 3.603 3.208 4.019 . 0 0 "[ . 1 . 2]" 1
721 1 46 PRO HB2 1 47 GLU H . . 3.310 2.305 2.059 2.667 . 0 0 "[ . 1 . 2]" 1
722 1 46 PRO HB2 1 58 VAL MG1 . . 3.260 2.137 1.862 2.821 . 0 0 "[ . 1 . 2]" 1
723 1 46 PRO HB2 1 59 ARG H . . 4.400 4.146 3.477 4.398 . 0 0 "[ . 1 . 2]" 1
724 1 46 PRO HB2 1 60 TYR QB . . 4.140 3.741 3.403 4.154 0.014 18 0 "[ . 1 . 2]" 1
725 1 46 PRO HB2 1 70 MET ME . . 4.000 3.389 3.041 3.774 . 0 0 "[ . 1 . 2]" 1
726 1 46 PRO HB3 1 47 GLU H . . 3.790 3.310 3.204 3.481 . 0 0 "[ . 1 . 2]" 1
727 1 46 PRO HB3 1 58 VAL MG1 . . 3.900 2.810 2.497 3.411 . 0 0 "[ . 1 . 2]" 1
728 1 46 PRO HB3 1 60 TYR HB2 . . 4.740 3.053 2.593 3.428 . 0 0 "[ . 1 . 2]" 1
729 1 46 PRO HB3 1 60 TYR QB . . 3.910 2.957 2.538 3.270 . 0 0 "[ . 1 . 2]" 1
730 1 46 PRO HB3 1 60 TYR HB3 . . 4.740 4.002 3.597 4.417 . 0 0 "[ . 1 . 2]" 1
731 1 46 PRO HB3 1 70 MET ME . . 3.510 2.135 1.948 2.691 . 0 0 "[ . 1 . 2]" 1
732 1 46 PRO HD3 1 58 VAL MG1 . . 5.460 4.889 4.561 5.411 . 0 0 "[ . 1 . 2]" 1
733 1 46 PRO HD3 1 70 MET HG3 . . 5.290 3.771 3.436 4.021 . 0 0 "[ . 1 . 2]" 1
734 1 46 PRO HG2 1 47 GLU H . . 4.580 4.165 3.944 4.464 . 0 0 "[ . 1 . 2]" 1
735 1 46 PRO HG2 1 48 ILE MD . . 3.760 3.398 3.121 3.544 . 0 0 "[ . 1 . 2]" 1
736 1 46 PRO HG2 1 58 VAL MG1 . . 3.790 3.474 3.029 3.791 0.001 12 0 "[ . 1 . 2]" 1
737 1 46 PRO HG3 1 48 ILE MD . . 4.750 4.655 4.390 4.768 0.018 18 0 "[ . 1 . 2]" 1
738 1 46 PRO HG3 1 58 VAL MG1 . . 4.150 3.263 2.954 3.729 . 0 0 "[ . 1 . 2]" 1
739 1 46 PRO HG3 1 72 ILE MD . . 4.670 3.580 3.252 3.985 . 0 0 "[ . 1 . 2]" 1
740 1 47 GLU H 1 47 GLU HB2 . . 3.330 2.654 2.370 2.832 . 0 0 "[ . 1 . 2]" 1
741 1 47 GLU H 1 47 GLU HB3 . . 3.330 2.744 2.379 2.843 . 0 0 "[ . 1 . 2]" 1
742 1 47 GLU H 1 47 GLU HG2 . . 4.700 4.636 4.478 4.704 0.004 12 0 "[ . 1 . 2]" 1
743 1 47 GLU H 1 47 GLU QG . . 4.120 4.073 3.996 4.108 . 0 0 "[ . 1 . 2]" 1
744 1 47 GLU H 1 47 GLU HG3 . . 4.700 4.517 4.419 4.698 . 0 0 "[ . 1 . 2]" 1
745 1 47 GLU H 1 48 ILE H . . 4.630 4.283 4.106 4.576 . 0 0 "[ . 1 . 2]" 1
746 1 47 GLU H 1 58 VAL MG1 . . 4.240 3.082 2.726 3.994 . 0 0 "[ . 1 . 2]" 1
747 1 47 GLU H 1 59 ARG H . . 3.790 2.928 2.107 3.317 . 0 0 "[ . 1 . 2]" 1
748 1 47 GLU H 1 59 ARG QB . . 4.620 4.262 3.904 4.625 0.005 18 0 "[ . 1 . 2]" 1
749 1 47 GLU H 1 60 TYR HA . . 5.110 3.849 3.369 4.372 . 0 0 "[ . 1 . 2]" 1
750 1 47 GLU H 1 60 TYR QB . . 4.540 3.298 2.900 3.901 . 0 0 "[ . 1 . 2]" 1
751 1 47 GLU HA 1 47 GLU HG2 . . 3.890 3.196 2.529 3.682 . 0 0 "[ . 1 . 2]" 1
752 1 47 GLU HA 1 47 GLU HG3 . . 3.890 2.413 2.245 3.602 . 0 0 "[ . 1 . 2]" 1
753 1 47 GLU HA 1 48 ILE H . . 2.530 2.173 2.149 2.210 . 0 0 "[ . 1 . 2]" 1
754 1 47 GLU HA 1 48 ILE HB . . 4.890 4.623 4.496 4.699 . 0 0 "[ . 1 . 2]" 1
755 1 47 GLU HA 1 48 ILE HG13 . . 4.490 3.859 3.574 3.989 . 0 0 "[ . 1 . 2]" 1
756 1 47 GLU QB 1 48 ILE H . . 3.910 3.812 3.493 3.921 0.011 7 0 "[ . 1 . 2]" 1
757 1 47 GLU QB 1 59 ARG H . . 3.620 2.317 1.820 2.686 . 0 0 "[ . 1 . 2]" 1
758 1 47 GLU QB 1 59 ARG QB . . 3.220 2.471 1.999 3.250 0.030 16 0 "[ . 1 . 2]" 1
759 1 47 GLU QB 1 59 ARG QD . . 3.900 3.454 2.611 3.908 0.008 18 0 "[ . 1 . 2]" 1
760 1 47 GLU HB2 1 48 ILE H . . 4.550 4.445 3.995 4.556 0.006 17 0 "[ . 1 . 2]" 1
761 1 47 GLU HB2 1 59 ARG QB . . 3.710 3.509 2.855 3.765 0.055 19 0 "[ . 1 . 2]" 1
762 1 47 GLU HB3 1 48 ILE H . . 4.550 4.153 3.709 4.283 . 0 0 "[ . 1 . 2]" 1
763 1 47 GLU HB3 1 59 ARG QB . . 3.710 2.551 2.011 3.577 . 0 0 "[ . 1 . 2]" 1
764 1 47 GLU QG 1 49 VAL MG2 . . 3.480 2.284 2.059 2.667 . 0 0 "[ . 1 . 2]" 1
765 1 47 GLU QG 1 59 ARG QB . . 4.100 3.707 3.268 4.186 0.086 19 0 "[ . 1 . 2]" 1
766 1 47 GLU HG2 1 48 ILE H . . 3.990 3.800 2.273 4.012 0.022 16 0 "[ . 1 . 2]" 1
767 1 47 GLU HG2 1 49 VAL MG2 . . 4.090 2.460 2.077 3.426 . 0 0 "[ . 1 . 2]" 1
768 1 47 GLU HG3 1 48 ILE H . . 3.990 3.377 2.299 3.994 0.004 14 0 "[ . 1 . 2]" 1
769 1 47 GLU HG3 1 49 VAL MG2 . . 4.090 3.251 2.472 3.652 . 0 0 "[ . 1 . 2]" 1
770 1 48 ILE H 1 48 ILE HB . . 2.940 2.576 2.487 2.768 . 0 0 "[ . 1 . 2]" 1
771 1 48 ILE H 1 48 ILE MD . . 4.180 3.756 3.487 4.211 0.031 16 0 "[ . 1 . 2]" 1
772 1 48 ILE H 1 48 ILE HG12 . . 4.140 3.862 3.658 4.154 0.014 18 0 "[ . 1 . 2]" 1
773 1 48 ILE H 1 48 ILE HG13 . . 3.500 2.601 2.348 3.091 . 0 0 "[ . 1 . 2]" 1
774 1 48 ILE H 1 48 ILE MG . . 4.140 3.814 3.779 3.893 . 0 0 "[ . 1 . 2]" 1
775 1 48 ILE H 1 49 VAL H . . 4.380 4.171 3.720 4.366 . 0 0 "[ . 1 . 2]" 1
776 1 48 ILE H 1 49 VAL MG2 . . 3.990 3.723 3.018 3.992 0.002 15 0 "[ . 1 . 2]" 1
777 1 48 ILE HA 1 48 ILE HG12 . . 3.900 2.603 2.459 2.709 . 0 0 "[ . 1 . 2]" 1
778 1 48 ILE HA 1 48 ILE HG13 . . 3.940 2.923 2.804 3.035 . 0 0 "[ . 1 . 2]" 1
779 1 48 ILE HA 1 48 ILE MG . . 3.180 2.377 2.297 2.465 . 0 0 "[ . 1 . 2]" 1
780 1 48 ILE HA 1 49 VAL H . . 2.960 2.173 2.141 2.251 . 0 0 "[ . 1 . 2]" 1
781 1 48 ILE HA 1 49 VAL HA . . 4.450 4.392 4.372 4.400 . 0 0 "[ . 1 . 2]" 1
782 1 48 ILE HA 1 49 VAL HB . . 4.900 4.693 4.613 4.792 . 0 0 "[ . 1 . 2]" 1
783 1 48 ILE HB 1 48 ILE MD . . 3.150 2.328 2.185 2.406 . 0 0 "[ . 1 . 2]" 1
784 1 48 ILE HB 1 49 VAL H . . 4.540 4.395 4.298 4.491 . 0 0 "[ . 1 . 2]" 1
785 1 48 ILE HB 1 49 VAL MG2 . . 4.870 4.713 4.277 4.849 . 0 0 "[ . 1 . 2]" 1
786 1 48 ILE HG12 1 48 ILE MG . . 3.330 2.266 2.167 2.380 . 0 0 "[ . 1 . 2]" 1
787 1 48 ILE HG12 1 49 VAL H . . 4.690 4.666 4.543 4.732 0.042 16 0 "[ . 1 . 2]" 1
788 1 48 ILE HG13 1 48 ILE MG . . 3.500 3.184 3.168 3.201 . 0 0 "[ . 1 . 2]" 1
789 1 48 ILE HG13 1 49 VAL H . . 5.130 5.022 4.918 5.119 . 0 0 "[ . 1 . 2]" 1
790 1 48 ILE MG 1 49 VAL H . . 3.370 3.004 2.642 3.283 . 0 0 "[ . 1 . 2]" 1
791 1 49 VAL H 1 49 VAL HB . . 3.210 2.651 2.600 2.727 . 0 0 "[ . 1 . 2]" 1
792 1 49 VAL H 1 49 VAL MG2 . . 3.030 2.866 2.745 3.043 0.013 16 0 "[ . 1 . 2]" 1
793 1 49 VAL H 1 50 ASP H . . 4.560 4.411 4.337 4.501 . 0 0 "[ . 1 . 2]" 1
794 1 49 VAL H 1 56 VAL HA . . 4.710 4.384 4.022 4.621 . 0 0 "[ . 1 . 2]" 1
795 1 49 VAL H 1 56 VAL MG1 . . 5.040 2.658 2.423 2.877 . 0 0 "[ . 1 . 2]" 1
796 1 49 VAL H 1 57 THR H . . 3.600 2.719 2.473 2.887 . 0 0 "[ . 1 . 2]" 1
797 1 49 VAL H 1 57 THR HB . . 4.040 3.841 3.367 4.032 . 0 0 "[ . 1 . 2]" 1
798 1 49 VAL HA 1 49 VAL MG1 . . 3.060 2.413 2.322 2.497 . 0 0 "[ . 1 . 2]" 1
799 1 49 VAL HA 1 49 VAL MG2 . . 3.250 2.380 2.282 2.429 . 0 0 "[ . 1 . 2]" 1
800 1 49 VAL HA 1 50 ASP H . . 2.630 2.202 2.150 2.299 . 0 0 "[ . 1 . 2]" 1
801 1 49 VAL HA 1 50 ASP HA . . 4.580 4.376 4.358 4.385 . 0 0 "[ . 1 . 2]" 1
802 1 49 VAL HA 1 50 ASP HB2 . . 4.790 4.419 4.330 4.558 . 0 0 "[ . 1 . 2]" 1
803 1 49 VAL HA 1 50 ASP QB . . 4.120 4.030 4.014 4.067 . 0 0 "[ . 1 . 2]" 1
804 1 49 VAL HA 1 50 ASP HB3 . . 4.790 4.657 4.486 4.767 . 0 0 "[ . 1 . 2]" 1
805 1 49 VAL HB 1 50 ASP H . . 4.250 4.043 3.793 4.202 . 0 0 "[ . 1 . 2]" 1
806 1 49 VAL HB 1 56 VAL HA . . 5.160 5.022 4.802 5.128 . 0 0 "[ . 1 . 2]" 1
807 1 49 VAL HB 1 57 THR H . . 3.790 3.535 3.351 3.724 . 0 0 "[ . 1 . 2]" 1
808 1 49 VAL HB 1 57 THR HB . . 3.080 2.807 2.327 3.075 . 0 0 "[ . 1 . 2]" 1
809 1 49 VAL HB 1 57 THR MG . . 4.150 3.586 3.225 3.913 . 0 0 "[ . 1 . 2]" 1
810 1 49 VAL MG1 1 50 ASP H . . 3.170 2.171 1.936 2.397 . 0 0 "[ . 1 . 2]" 1
811 1 49 VAL MG1 1 50 ASP HA . . 4.210 3.699 3.520 3.895 . 0 0 "[ . 1 . 2]" 1
812 1 49 VAL MG1 1 50 ASP HB2 . . 4.620 4.547 4.390 4.624 0.004 18 0 "[ . 1 . 2]" 1
813 1 49 VAL MG1 1 50 ASP QB . . 3.840 3.811 3.642 3.852 0.012 16 0 "[ . 1 . 2]" 1
814 1 49 VAL MG1 1 50 ASP HB3 . . 4.620 4.093 3.890 4.169 . 0 0 "[ . 1 . 2]" 1
815 1 49 VAL MG1 1 51 ASN H . . 4.040 3.764 3.305 4.023 . 0 0 "[ . 1 . 2]" 1
816 1 49 VAL MG1 1 51 ASN HA . . 4.130 3.527 3.310 3.670 . 0 0 "[ . 1 . 2]" 1
817 1 49 VAL MG1 1 57 THR H . . 4.390 4.276 4.119 4.398 0.008 18 0 "[ . 1 . 2]" 1
818 1 49 VAL MG1 1 57 THR HB . . 3.810 3.679 3.346 3.812 0.002 8 0 "[ . 1 . 2]" 1
819 1 50 ASP H 1 50 ASP HB2 . . 3.140 2.827 2.592 3.050 . 0 0 "[ . 1 . 2]" 1
820 1 50 ASP H 1 50 ASP HB3 . . 3.140 2.573 2.423 2.665 . 0 0 "[ . 1 . 2]" 1
821 1 50 ASP H 1 51 ASN H . . 4.510 4.238 4.086 4.411 . 0 0 "[ . 1 . 2]" 1
822 1 50 ASP HA 1 51 ASN H . . 2.930 2.161 2.140 2.196 . 0 0 "[ . 1 . 2]" 1
823 1 50 ASP HA 1 56 VAL HA . . 3.720 2.383 2.169 2.688 . 0 0 "[ . 1 . 2]" 1
824 1 50 ASP HA 1 56 VAL MG1 . . 3.990 3.249 2.831 3.665 . 0 0 "[ . 1 . 2]" 1
825 1 50 ASP HA 1 56 VAL MG2 . . 3.380 3.103 2.811 3.309 . 0 0 "[ . 1 . 2]" 1
826 1 50 ASP HA 1 57 THR H . . 4.130 3.889 3.633 4.143 0.013 16 0 "[ . 1 . 2]" 1
827 1 50 ASP QB 1 51 ASN H . . 4.200 3.920 3.824 3.979 . 0 0 "[ . 1 . 2]" 1
828 1 50 ASP HB2 1 51 ASN H . . 4.960 4.446 4.298 4.550 . 0 0 "[ . 1 . 2]" 1
829 1 50 ASP HB3 1 51 ASN H . . 4.960 4.361 4.267 4.449 . 0 0 "[ . 1 . 2]" 1
830 1 51 ASN H 1 51 ASN HB2 . . 3.740 2.583 2.442 2.716 . 0 0 "[ . 1 . 2]" 1
831 1 51 ASN H 1 51 ASN QB . . 3.140 2.526 2.404 2.637 . 0 0 "[ . 1 . 2]" 1
832 1 51 ASN H 1 51 ASN HB3 . . 3.740 3.588 3.574 3.595 . 0 0 "[ . 1 . 2]" 1
833 1 51 ASN H 1 51 ASN HD21 . . 4.260 2.183 1.883 2.754 . 0 0 "[ . 1 . 2]" 1
834 1 51 ASN H 1 51 ASN HD22 . . 4.650 3.208 2.912 3.662 . 0 0 "[ . 1 . 2]" 1
835 1 51 ASN H 1 52 LYS H . . 5.150 4.628 4.593 4.645 . 0 0 "[ . 1 . 2]" 1
836 1 51 ASN H 1 53 ASP H . . 4.620 4.560 4.412 4.615 . 0 0 "[ . 1 . 2]" 1
837 1 51 ASN H 1 55 THR H . . 4.780 3.535 3.197 4.026 . 0 0 "[ . 1 . 2]" 1
838 1 51 ASN H 1 56 VAL HA . . 3.330 2.955 2.550 3.175 . 0 0 "[ . 1 . 2]" 1
839 1 51 ASN H 1 56 VAL MG2 . . 4.620 4.297 4.088 4.479 . 0 0 "[ . 1 . 2]" 1
840 1 51 ASN H 1 57 THR H . . 4.470 4.288 3.973 4.473 0.003 4 0 "[ . 1 . 2]" 1
841 1 51 ASN QB 1 51 ASN HD21 . . 3.080 2.188 2.097 2.260 . 0 0 "[ . 1 . 2]" 1
842 1 51 ASN QB 1 51 ASN HD22 . . 3.520 3.281 3.240 3.308 . 0 0 "[ . 1 . 2]" 1
843 1 51 ASN QB 1 55 THR H . . 3.970 2.614 2.375 2.926 . 0 0 "[ . 1 . 2]" 1
844 1 51 ASN HB2 1 53 ASP H . . 3.790 2.736 2.586 2.882 . 0 0 "[ . 1 . 2]" 1
845 1 51 ASN HB2 1 55 THR H . . 4.740 2.638 2.392 2.956 . 0 0 "[ . 1 . 2]" 1
846 1 51 ASN HB3 1 53 ASP H . . 3.790 2.930 2.494 3.399 . 0 0 "[ . 1 . 2]" 1
847 1 51 ASN HB3 1 55 THR H . . 4.740 4.291 3.873 4.697 . 0 0 "[ . 1 . 2]" 1
848 1 51 ASN HD21 1 53 ASP H . . 5.040 4.862 4.679 5.031 . 0 0 "[ . 1 . 2]" 1
849 1 51 ASN HD21 1 55 THR H . . 4.800 3.262 3.012 3.525 . 0 0 "[ . 1 . 2]" 1
850 1 51 ASN HD21 1 55 THR HA . . 4.710 4.235 4.032 4.475 . 0 0 "[ . 1 . 2]" 1
851 1 51 ASN HD21 1 55 THR HB . . 4.460 3.409 3.065 3.668 . 0 0 "[ . 1 . 2]" 1
852 1 51 ASN HD21 1 55 THR MG . . 4.290 4.135 3.920 4.295 0.005 15 0 "[ . 1 . 2]" 1
853 1 51 ASN HD21 1 56 VAL H . . 5.080 3.594 3.237 3.995 . 0 0 "[ . 1 . 2]" 1
854 1 51 ASN HD21 1 56 VAL HA . . 4.230 3.136 2.875 3.417 . 0 0 "[ . 1 . 2]" 1
855 1 51 ASN HD21 1 57 THR H . . 4.430 4.329 4.024 4.431 0.001 19 0 "[ . 1 . 2]" 1
856 1 51 ASN HD21 1 57 THR HB . . 4.990 4.623 4.311 4.922 . 0 0 "[ . 1 . 2]" 1
857 1 51 ASN HD21 1 57 THR HG1 . . 4.220 3.657 3.249 4.141 . 0 0 "[ . 1 . 2]" 1
858 1 51 ASN HD22 1 55 THR HB . . 5.190 4.186 3.798 4.574 . 0 0 "[ . 1 . 2]" 1
859 1 51 ASN HD22 1 55 THR MG . . 5.270 5.025 4.781 5.267 . 0 0 "[ . 1 . 2]" 1
860 1 51 ASN HD22 1 56 VAL HA . . 4.540 3.590 3.303 3.820 . 0 0 "[ . 1 . 2]" 1
861 1 51 ASN HD22 1 57 THR H . . 4.170 3.773 3.436 4.069 . 0 0 "[ . 1 . 2]" 1
862 1 51 ASN HD22 1 57 THR HB . . 4.420 3.305 2.888 3.636 . 0 0 "[ . 1 . 2]" 1
863 1 51 ASN HD22 1 57 THR HG1 . . 4.230 2.077 1.892 2.461 . 0 0 "[ . 1 . 2]" 1
864 1 52 LYS H 1 53 ASP H . . 4.170 2.815 2.566 3.014 . 0 0 "[ . 1 . 2]" 1
865 1 52 LYS HA 1 52 LYS HD2 . . 4.430 3.399 2.028 4.344 . 0 0 "[ . 1 . 2]" 1
866 1 52 LYS HA 1 52 LYS QD . . 3.810 2.743 1.988 3.745 . 0 0 "[ . 1 . 2]" 1
867 1 52 LYS HA 1 52 LYS HD3 . . 4.430 3.251 2.010 4.423 . 0 0 "[ . 1 . 2]" 1
868 1 52 LYS HA 1 52 LYS QE . . 4.820 3.798 1.966 4.796 . 0 0 "[ . 1 . 2]" 1
869 1 52 LYS HA 1 52 LYS HG2 . . 3.810 3.114 2.177 3.660 . 0 0 "[ . 1 . 2]" 1
870 1 52 LYS HA 1 52 LYS QG . . 3.250 2.417 2.151 2.780 . 0 0 "[ . 1 . 2]" 1
871 1 52 LYS HA 1 52 LYS HG3 . . 3.810 2.905 2.189 3.771 . 0 0 "[ . 1 . 2]" 1
872 1 52 LYS HA 1 53 ASP H . . 3.570 3.015 2.876 3.196 . 0 0 "[ . 1 . 2]" 1
873 1 52 LYS QB 1 52 LYS QD . . 3.110 2.233 2.020 2.517 . 0 0 "[ . 1 . 2]" 1
874 1 52 LYS HB2 1 53 ASP H . . 4.470 4.215 3.819 4.462 . 0 0 "[ . 1 . 2]" 1
875 1 52 LYS HB3 1 53 ASP H . . 4.470 4.124 3.716 4.431 . 0 0 "[ . 1 . 2]" 1
876 1 52 LYS QG 1 53 ASP H . . 5.050 4.632 4.484 4.783 . 0 0 "[ . 1 . 2]" 1
877 1 53 ASP H 1 53 ASP HB2 . . 3.820 2.787 2.367 3.829 0.009 6 0 "[ . 1 . 2]" 1
878 1 53 ASP H 1 53 ASP QB . . 3.310 2.457 2.314 2.812 . 0 0 "[ . 1 . 2]" 1
879 1 53 ASP H 1 53 ASP HB3 . . 3.820 3.156 2.393 3.736 . 0 0 "[ . 1 . 2]" 1
880 1 53 ASP H 1 54 GLY H . . 3.230 1.992 1.798 2.227 . 0 0 "[ . 1 . 2]" 1
881 1 53 ASP H 1 54 GLY HA2 . . 4.960 4.255 4.111 4.482 . 0 0 "[ . 1 . 2]" 1
882 1 53 ASP H 1 54 GLY QA . . 4.220 3.954 3.838 4.145 . 0 0 "[ . 1 . 2]" 1
883 1 53 ASP H 1 54 GLY HA3 . . 4.960 4.700 4.572 4.883 . 0 0 "[ . 1 . 2]" 1
884 1 53 ASP H 1 55 THR H . . 3.580 3.373 3.137 3.543 . 0 0 "[ . 1 . 2]" 1
885 1 53 ASP H 1 55 THR MG . . 5.200 4.999 4.752 5.203 0.003 15 0 "[ . 1 . 2]" 1
886 1 54 GLY H 1 55 THR H . . 3.640 1.880 1.807 1.948 . 0 0 "[ . 1 . 2]" 1
887 1 55 THR H 1 55 THR MG . . 3.590 3.022 2.518 3.240 . 0 0 "[ . 1 . 2]" 1
888 1 55 THR HA 1 55 THR MG . . 3.280 2.293 2.193 2.387 . 0 0 "[ . 1 . 2]" 1
889 1 55 THR HB 1 56 VAL H . . 3.680 2.101 1.930 2.391 . 0 0 "[ . 1 . 2]" 1
890 1 55 THR HG1 1 55 THR MG . . 3.290 2.457 2.032 2.949 . 0 0 "[ . 1 . 2]" 1
891 1 55 THR MG 1 56 VAL H . . 4.070 3.571 3.453 3.688 . 0 0 "[ . 1 . 2]" 1
892 1 56 VAL H 1 56 VAL MG1 . . 3.960 3.901 3.846 3.951 . 0 0 "[ . 1 . 2]" 1
893 1 56 VAL H 1 56 VAL MG2 . . 4.290 2.611 2.401 2.803 . 0 0 "[ . 1 . 2]" 1
894 1 56 VAL H 1 57 THR H . . 4.920 4.486 4.452 4.533 . 0 0 "[ . 1 . 2]" 1
895 1 56 VAL HA 1 56 VAL MG1 . . 3.590 2.253 2.055 2.348 . 0 0 "[ . 1 . 2]" 1
896 1 56 VAL HA 1 56 VAL MG2 . . 3.330 2.435 2.328 2.585 . 0 0 "[ . 1 . 2]" 1
897 1 56 VAL HA 1 57 THR H . . 2.750 2.317 2.251 2.381 . 0 0 "[ . 1 . 2]" 1
898 1 56 VAL HA 1 57 THR HB . . 4.360 4.322 4.263 4.374 0.014 12 0 "[ . 1 . 2]" 1
899 1 56 VAL HB 1 57 THR H . . 3.680 3.596 3.403 3.680 0.000 9 0 "[ . 1 . 2]" 1
900 1 56 VAL MG1 1 57 THR H . . 3.710 1.950 1.850 2.144 . 0 0 "[ . 1 . 2]" 1
901 1 56 VAL MG1 1 57 THR HA . . 5.380 3.710 3.396 4.079 . 0 0 "[ . 1 . 2]" 1
902 1 56 VAL MG1 1 58 VAL H . . 4.350 3.902 3.473 4.275 . 0 0 "[ . 1 . 2]" 1
903 1 56 VAL MG2 1 57 THR H . . 4.080 3.951 3.815 4.082 0.002 11 0 "[ . 1 . 2]" 1
904 1 57 THR H 1 57 THR HB . . 3.120 2.628 2.451 2.719 . 0 0 "[ . 1 . 2]" 1
905 1 57 THR H 1 57 THR HG1 . . 4.580 3.676 3.269 4.139 . 0 0 "[ . 1 . 2]" 1
906 1 57 THR H 1 57 THR MG . . 3.920 3.758 3.694 3.819 . 0 0 "[ . 1 . 2]" 1
907 1 57 THR H 1 58 VAL H . . 4.320 4.064 3.955 4.210 . 0 0 "[ . 1 . 2]" 1
908 1 57 THR HA 1 57 THR MG . . 3.280 2.510 2.448 2.562 . 0 0 "[ . 1 . 2]" 1
909 1 57 THR HA 1 58 VAL H . . 2.740 2.158 2.142 2.185 . 0 0 "[ . 1 . 2]" 1
910 1 57 THR HA 1 58 VAL HA . . 4.700 4.416 4.390 4.442 . 0 0 "[ . 1 . 2]" 1
911 1 57 THR HA 1 58 VAL HB . . 4.710 4.668 4.595 4.709 . 0 0 "[ . 1 . 2]" 1
912 1 57 THR HA 1 58 VAL MG2 . . 5.110 3.819 3.688 3.917 . 0 0 "[ . 1 . 2]" 1
913 1 57 THR HB 1 58 VAL H . . 4.710 4.476 4.354 4.535 . 0 0 "[ . 1 . 2]" 1
914 1 57 THR MG 1 58 VAL H . . 3.200 2.988 2.592 3.193 . 0 0 "[ . 1 . 2]" 1
915 1 57 THR MG 1 59 ARG H . . 4.190 3.497 3.234 4.193 0.003 19 0 "[ . 1 . 2]" 1
916 1 57 THR MG 1 59 ARG HA . . 4.670 4.086 3.666 4.681 0.011 16 0 "[ . 1 . 2]" 1
917 1 57 THR MG 1 59 ARG HD2 . . 5.500 5.148 4.235 5.523 0.023 16 0 "[ . 1 . 2]" 1
918 1 57 THR MG 1 59 ARG QD . . 4.770 4.624 4.088 4.811 0.041 15 0 "[ . 1 . 2]" 1
919 1 57 THR MG 1 59 ARG HD3 . . 5.500 5.328 4.619 5.511 0.011 12 0 "[ . 1 . 2]" 1
920 1 58 VAL H 1 58 VAL HB . . 3.220 2.531 2.471 2.596 . 0 0 "[ . 1 . 2]" 1
921 1 58 VAL H 1 58 VAL MG1 . . 4.190 3.791 3.771 3.828 . 0 0 "[ . 1 . 2]" 1
922 1 58 VAL H 1 58 VAL MG2 . . 3.190 2.452 2.220 2.604 . 0 0 "[ . 1 . 2]" 1
923 1 58 VAL HA 1 58 VAL MG1 . . 3.310 2.362 2.253 2.460 . 0 0 "[ . 1 . 2]" 1
924 1 58 VAL HA 1 58 VAL MG2 . . 3.290 2.357 2.272 2.433 . 0 0 "[ . 1 . 2]" 1
925 1 58 VAL HA 1 59 ARG H . . 2.810 2.183 2.145 2.214 . 0 0 "[ . 1 . 2]" 1
926 1 58 VAL HA 1 59 ARG QB . . 4.310 4.193 4.114 4.264 . 0 0 "[ . 1 . 2]" 1
927 1 58 VAL HB 1 59 ARG H . . 4.880 4.385 4.060 4.458 . 0 0 "[ . 1 . 2]" 1
928 1 58 VAL MG1 1 59 ARG H . . 3.230 3.030 2.459 3.233 0.003 4 0 "[ . 1 . 2]" 1
929 1 58 VAL MG1 1 60 TYR HB2 . . 4.930 4.057 3.486 4.693 . 0 0 "[ . 1 . 2]" 1
930 1 58 VAL MG1 1 60 TYR QB . . 4.180 3.672 3.230 4.188 0.008 12 0 "[ . 1 . 2]" 1
931 1 58 VAL MG1 1 60 TYR HB3 . . 4.930 4.203 3.606 4.768 . 0 0 "[ . 1 . 2]" 1
932 1 58 VAL MG1 1 70 MET ME . . 2.990 2.543 2.181 2.950 . 0 0 "[ . 1 . 2]" 1
933 1 59 ARG H 1 59 ARG QB . . 3.250 2.499 2.259 3.051 . 0 0 "[ . 1 . 2]" 1
934 1 59 ARG H 1 59 ARG QG . . 4.340 3.878 2.759 4.245 . 0 0 "[ . 1 . 2]" 1
935 1 59 ARG HA 1 59 ARG QD . . 4.880 3.483 2.486 4.231 . 0 0 "[ . 1 . 2]" 1
936 1 59 ARG HA 1 59 ARG QG . . 3.710 2.631 2.275 3.420 . 0 0 "[ . 1 . 2]" 1
937 1 59 ARG HA 1 60 TYR H . . 3.060 2.223 2.140 2.322 . 0 0 "[ . 1 . 2]" 1
938 1 59 ARG QB 1 59 ARG HD2 . . 3.460 2.530 2.199 3.292 . 0 0 "[ . 1 . 2]" 1
939 1 59 ARG QB 1 59 ARG HD3 . . 3.460 2.766 2.261 3.469 0.009 7 0 "[ . 1 . 2]" 1
940 1 59 ARG QB 1 60 TYR H . . 3.920 3.465 2.774 3.765 . 0 0 "[ . 1 . 2]" 1
941 1 59 ARG QD 1 61 ALA H . . 4.360 4.072 3.601 4.363 0.003 2 0 "[ . 1 . 2]" 1
942 1 59 ARG QG 1 60 TYR H . . 3.980 2.709 1.910 3.795 . 0 0 "[ . 1 . 2]" 1
943 1 60 TYR H 1 60 TYR HB2 . . 3.960 3.551 3.407 3.662 . 0 0 "[ . 1 . 2]" 1
944 1 60 TYR H 1 60 TYR HB3 . . 3.960 2.781 2.629 2.891 . 0 0 "[ . 1 . 2]" 1
945 1 60 TYR H 1 61 ALA H . . 5.100 4.129 3.832 4.365 . 0 0 "[ . 1 . 2]" 1
946 1 60 TYR H 1 61 ALA HA . . 5.500 4.573 4.400 4.715 . 0 0 "[ . 1 . 2]" 1
947 1 60 TYR HA 1 61 ALA H . . 2.860 2.185 2.140 2.317 . 0 0 "[ . 1 . 2]" 1
948 1 60 TYR HA 1 61 ALA MB . . 4.140 3.934 3.871 4.007 . 0 0 "[ . 1 . 2]" 1
949 1 60 TYR QB 1 61 ALA H . . 4.030 3.703 3.351 3.919 . 0 0 "[ . 1 . 2]" 1
950 1 60 TYR QB 1 70 MET ME . . 3.190 2.441 1.977 2.985 . 0 0 "[ . 1 . 2]" 1
951 1 60 TYR HB2 1 61 ALA H . . 4.670 4.036 3.588 4.296 . 0 0 "[ . 1 . 2]" 1
952 1 60 TYR HB2 1 70 MET ME . . 3.670 2.919 2.088 3.592 . 0 0 "[ . 1 . 2]" 1
953 1 60 TYR HB3 1 61 ALA H . . 4.670 4.313 4.020 4.532 . 0 0 "[ . 1 . 2]" 1
954 1 60 TYR HB3 1 70 MET ME . . 3.670 2.639 2.161 3.190 . 0 0 "[ . 1 . 2]" 1
955 1 60 TYR HE1 1 62 PRO HA . . 4.730 4.553 4.074 4.734 0.004 6 0 "[ . 1 . 2]" 1
956 1 60 TYR HE2 1 62 PRO HA . . 3.470 3.004 2.054 3.472 0.002 14 0 "[ . 1 . 2]" 1
957 1 60 TYR HE2 1 62 PRO HB3 . . 4.150 3.360 2.328 4.156 0.006 15 0 "[ . 1 . 2]" 1
958 1 61 ALA H 1 61 ALA MB . . 3.030 2.277 2.191 2.424 . 0 0 "[ . 1 . 2]" 1
959 1 61 ALA HA 1 62 PRO HB3 . . 5.490 4.897 4.836 4.942 . 0 0 "[ . 1 . 2]" 1
960 1 61 ALA HA 1 62 PRO HD2 . . 3.440 1.970 1.924 2.126 . 0 0 "[ . 1 . 2]" 1
961 1 61 ALA HA 1 62 PRO HD3 . . 3.850 2.348 2.256 2.421 . 0 0 "[ . 1 . 2]" 1
962 1 61 ALA HA 1 62 PRO HG2 . . 5.240 4.169 4.130 4.293 . 0 0 "[ . 1 . 2]" 1
963 1 61 ALA HA 1 62 PRO HG3 . . 5.240 4.327 4.316 4.345 . 0 0 "[ . 1 . 2]" 1
964 1 61 ALA MB 1 62 PRO HA . . 5.260 4.554 4.515 4.568 . 0 0 "[ . 1 . 2]" 1
965 1 61 ALA MB 1 62 PRO HD2 . . 4.220 2.973 2.534 3.167 . 0 0 "[ . 1 . 2]" 1
966 1 61 ALA MB 1 62 PRO HD3 . . 3.980 3.894 3.624 3.999 0.019 7 0 "[ . 1 . 2]" 1
967 1 62 PRO HA 1 63 THR H . . 3.260 2.162 2.150 2.250 . 0 0 "[ . 1 . 2]" 1
968 1 62 PRO HA 1 63 THR MG . . 5.500 5.041 3.692 5.483 . 0 0 "[ . 1 . 2]" 1
969 1 62 PRO HA 1 64 GLU H . . 3.890 3.762 3.532 3.892 0.002 5 0 "[ . 1 . 2]" 1
970 1 62 PRO HB2 1 64 GLU H . . 4.060 3.663 2.971 4.034 . 0 0 "[ . 1 . 2]" 1
971 1 62 PRO HB2 1 88 VAL MG1 . . 3.870 2.386 2.024 2.989 . 0 0 "[ . 1 . 2]" 1
972 1 62 PRO HB2 1 88 VAL MG2 . . 4.180 2.404 2.047 3.150 . 0 0 "[ . 1 . 2]" 1
973 1 62 PRO HB3 1 63 THR H . . 4.060 3.972 3.687 4.062 0.002 19 0 "[ . 1 . 2]" 1
974 1 62 PRO HB3 1 86 PHE QE . . 4.310 3.234 2.749 3.549 . 0 0 "[ . 1 . 2]" 1
975 1 62 PRO HB3 1 88 VAL MG2 . . 3.580 2.110 1.860 2.953 . 0 0 "[ . 1 . 2]" 1
976 1 62 PRO QG 1 88 VAL MG1 . . 3.590 2.531 2.133 2.902 . 0 0 "[ . 1 . 2]" 1
977 1 62 PRO QG 1 88 VAL MG2 . . 3.480 2.373 1.982 2.881 . 0 0 "[ . 1 . 2]" 1
978 1 62 PRO HG2 1 88 VAL MG1 . . 4.320 2.913 2.541 3.274 . 0 0 "[ . 1 . 2]" 1
979 1 62 PRO HG2 1 88 VAL MG2 . . 4.010 3.393 3.076 3.738 . 0 0 "[ . 1 . 2]" 1
980 1 62 PRO HG3 1 88 VAL MG1 . . 4.320 2.793 2.291 3.241 . 0 0 "[ . 1 . 2]" 1
981 1 62 PRO HG3 1 88 VAL MG2 . . 4.010 2.427 2.006 2.997 . 0 0 "[ . 1 . 2]" 1
982 1 63 THR H 1 63 THR MG . . 4.040 3.452 1.881 3.912 . 0 0 "[ . 1 . 2]" 1
983 1 63 THR H 1 64 GLU H . . 3.010 2.190 1.923 2.310 . 0 0 "[ . 1 . 2]" 1
984 1 63 THR HA 1 63 THR MG . . 3.320 2.419 2.117 3.208 . 0 0 "[ . 1 . 2]" 1
985 1 63 THR HB 1 64 GLU H . . 4.780 3.166 2.655 4.107 . 0 0 "[ . 1 . 2]" 1
986 1 63 THR MG 1 64 GLU H . . 4.570 3.622 2.135 4.308 . 0 0 "[ . 1 . 2]" 1
987 1 64 GLU H 1 64 GLU HB2 . . 3.990 2.542 2.408 2.740 . 0 0 "[ . 1 . 2]" 1
988 1 64 GLU H 1 64 GLU QB . . 3.330 2.498 2.372 2.684 . 0 0 "[ . 1 . 2]" 1
989 1 64 GLU H 1 64 GLU HB3 . . 3.990 3.685 3.575 3.835 . 0 0 "[ . 1 . 2]" 1
990 1 64 GLU H 1 64 GLU HG2 . . 4.770 4.008 3.105 4.700 . 0 0 "[ . 1 . 2]" 1
991 1 64 GLU H 1 64 GLU QG . . 3.900 3.347 2.946 3.902 0.002 19 0 "[ . 1 . 2]" 1
992 1 64 GLU H 1 64 GLU HG3 . . 4.770 3.836 3.018 4.581 . 0 0 "[ . 1 . 2]" 1
993 1 64 GLU H 1 65 VAL H . . 4.620 4.459 4.399 4.496 . 0 0 "[ . 1 . 2]" 1
994 1 64 GLU H 1 68 HIS HE1 . . 4.800 4.215 3.880 4.539 . 0 0 "[ . 1 . 2]" 1
995 1 64 GLU H 1 88 VAL MG1 . . 4.950 4.688 4.044 4.952 0.002 15 0 "[ . 1 . 2]" 1
996 1 64 GLU HA 1 64 GLU HG2 . . 4.170 2.659 2.221 3.534 . 0 0 "[ . 1 . 2]" 1
997 1 64 GLU HA 1 64 GLU QG . . 3.650 2.419 2.178 2.914 . 0 0 "[ . 1 . 2]" 1
998 1 64 GLU HA 1 64 GLU HG3 . . 4.170 3.107 2.200 3.791 . 0 0 "[ . 1 . 2]" 1
999 1 64 GLU HA 1 65 VAL H . . 2.900 2.477 2.419 2.567 . 0 0 "[ . 1 . 2]" 1
1000 1 64 GLU HA 1 65 VAL HA . . 4.490 4.358 4.338 4.402 . 0 0 "[ . 1 . 2]" 1
1001 1 64 GLU QB 1 65 VAL H . . 3.280 2.262 2.092 2.384 . 0 0 "[ . 1 . 2]" 1
1002 1 64 GLU QB 1 68 HIS HE1 . . 4.120 3.809 3.344 4.074 . 0 0 "[ . 1 . 2]" 1
1003 1 64 GLU HB2 1 65 VAL H . . 3.790 3.668 3.413 3.784 . 0 0 "[ . 1 . 2]" 1
1004 1 64 GLU HB2 1 68 HIS HE1 . . 4.710 4.194 3.772 4.553 . 0 0 "[ . 1 . 2]" 1
1005 1 64 GLU HB3 1 65 VAL H . . 3.790 2.284 2.106 2.409 . 0 0 "[ . 1 . 2]" 1
1006 1 64 GLU HB3 1 68 HIS HE1 . . 4.710 4.387 3.735 4.633 . 0 0 "[ . 1 . 2]" 1
1007 1 64 GLU QG 1 65 VAL H . . 4.230 3.650 3.269 4.172 . 0 0 "[ . 1 . 2]" 1
1008 1 64 GLU HG2 1 65 VAL H . . 4.890 3.968 3.454 4.757 . 0 0 "[ . 1 . 2]" 1
1009 1 64 GLU HG3 1 65 VAL H . . 4.890 4.459 3.501 4.815 . 0 0 "[ . 1 . 2]" 1
1010 1 65 VAL H 1 65 VAL HB . . 3.850 3.679 3.648 3.719 . 0 0 "[ . 1 . 2]" 1
1011 1 65 VAL H 1 65 VAL MG1 . . 3.300 2.602 2.488 2.893 . 0 0 "[ . 1 . 2]" 1
1012 1 65 VAL H 1 65 VAL MG2 . . 3.670 2.018 1.896 2.159 . 0 0 "[ . 1 . 2]" 1
1013 1 65 VAL H 1 66 GLY H . . 4.620 4.568 4.528 4.589 . 0 0 "[ . 1 . 2]" 1
1014 1 65 VAL HA 1 65 VAL MG1 . . 3.420 2.323 2.194 2.431 . 0 0 "[ . 1 . 2]" 1
1015 1 65 VAL HA 1 65 VAL MG2 . . 3.410 3.198 3.186 3.203 . 0 0 "[ . 1 . 2]" 1
1016 1 65 VAL HA 1 66 GLY H . . 3.100 2.352 2.255 2.440 . 0 0 "[ . 1 . 2]" 1
1017 1 65 VAL HA 1 66 GLY HA2 . . 4.900 4.610 4.538 4.670 . 0 0 "[ . 1 . 2]" 1
1018 1 65 VAL HA 1 66 GLY HA3 . . 4.780 4.396 4.368 4.433 . 0 0 "[ . 1 . 2]" 1
1019 1 65 VAL HA 1 68 HIS HE1 . . 4.410 3.109 2.490 3.463 . 0 0 "[ . 1 . 2]" 1
1020 1 65 VAL HA 1 88 VAL H . . 4.720 4.225 3.884 4.557 . 0 0 "[ . 1 . 2]" 1
1021 1 65 VAL HA 1 88 VAL HB . . 3.410 2.332 2.032 2.720 . 0 0 "[ . 1 . 2]" 1
1022 1 65 VAL HA 1 88 VAL MG1 . . 3.660 2.834 2.492 3.167 . 0 0 "[ . 1 . 2]" 1
1023 1 65 VAL HA 1 88 VAL MG2 . . 4.440 3.729 3.392 4.182 . 0 0 "[ . 1 . 2]" 1
1024 1 65 VAL HB 1 66 GLY H . . 3.780 2.528 2.303 2.797 . 0 0 "[ . 1 . 2]" 1
1025 1 65 VAL HB 1 66 GLY HA2 . . 5.180 4.063 3.964 4.158 . 0 0 "[ . 1 . 2]" 1
1026 1 65 VAL HB 1 66 GLY HA3 . . 4.750 4.562 4.406 4.708 . 0 0 "[ . 1 . 2]" 1
1027 1 65 VAL MG1 1 66 GLY H . . 4.110 3.708 3.549 3.860 . 0 0 "[ . 1 . 2]" 1
1028 1 65 VAL MG1 1 90 TYR H . . 4.530 3.867 3.333 4.451 . 0 0 "[ . 1 . 2]" 1
1029 1 65 VAL MG1 1 90 TYR HA . . 3.650 3.308 2.920 3.647 . 0 0 "[ . 1 . 2]" 1
1030 1 65 VAL MG1 1 90 TYR QD . . 4.030 2.922 1.916 3.958 . 0 0 "[ . 1 . 2]" 1
1031 1 65 VAL MG2 1 66 GLY H . . 3.660 3.532 3.303 3.661 0.001 6 0 "[ . 1 . 2]" 1
1032 1 66 GLY H 1 67 LEU H . . 4.760 4.481 4.445 4.518 . 0 0 "[ . 1 . 2]" 1
1033 1 66 GLY H 1 68 HIS HE1 . . 4.890 3.501 3.036 4.016 . 0 0 "[ . 1 . 2]" 1
1034 1 66 GLY H 1 87 TYR QE . . 4.820 4.141 3.918 4.285 . 0 0 "[ . 1 . 2]" 1
1035 1 66 GLY H 1 88 VAL H . . 4.020 2.929 2.650 3.388 . 0 0 "[ . 1 . 2]" 1
1036 1 66 GLY H 1 88 VAL HB . . 3.620 2.777 2.182 3.328 . 0 0 "[ . 1 . 2]" 1
1037 1 66 GLY H 1 88 VAL MG2 . . 4.720 4.020 3.497 4.612 . 0 0 "[ . 1 . 2]" 1
1038 1 66 GLY HA2 1 67 LEU H . . 3.460 2.813 2.718 2.895 . 0 0 "[ . 1 . 2]" 1
1039 1 66 GLY HA2 1 67 LEU QB . . 4.600 4.201 4.144 4.268 . 0 0 "[ . 1 . 2]" 1
1040 1 66 GLY HA2 1 87 TYR QD . . 4.540 3.971 3.793 4.124 . 0 0 "[ . 1 . 2]" 1
1041 1 66 GLY HA2 1 87 TYR QE . . 3.780 2.563 2.363 2.861 . 0 0 "[ . 1 . 2]" 1
1042 1 66 GLY HA3 1 67 LEU H . . 3.240 2.342 2.282 2.418 . 0 0 "[ . 1 . 2]" 1
1043 1 66 GLY HA3 1 67 LEU HB2 . . 5.160 4.919 4.796 5.052 . 0 0 "[ . 1 . 2]" 1
1044 1 66 GLY HA3 1 67 LEU QB . . 4.530 4.345 4.292 4.384 . 0 0 "[ . 1 . 2]" 1
1045 1 66 GLY HA3 1 67 LEU HB3 . . 5.160 4.842 4.706 4.959 . 0 0 "[ . 1 . 2]" 1
1046 1 66 GLY HA3 1 87 TYR QD . . 5.110 4.883 4.719 5.079 . 0 0 "[ . 1 . 2]" 1
1047 1 66 GLY HA3 1 87 TYR QE . . 4.140 3.835 3.510 4.111 . 0 0 "[ . 1 . 2]" 1
1048 1 67 LEU H 1 67 LEU HB2 . . 3.410 2.842 2.671 2.926 . 0 0 "[ . 1 . 2]" 1
1049 1 67 LEU H 1 67 LEU QB . . 2.980 2.346 2.283 2.399 . 0 0 "[ . 1 . 2]" 1
1050 1 67 LEU H 1 67 LEU HB3 . . 3.410 2.505 2.384 2.601 . 0 0 "[ . 1 . 2]" 1
1051 1 67 LEU H 1 67 LEU MD1 . . 4.690 4.286 4.172 4.383 . 0 0 "[ . 1 . 2]" 1
1052 1 67 LEU H 1 67 LEU MD2 . . 4.450 4.289 4.133 4.388 . 0 0 "[ . 1 . 2]" 1
1053 1 67 LEU H 1 67 LEU HG . . 4.600 4.447 4.350 4.522 . 0 0 "[ . 1 . 2]" 1
1054 1 67 LEU H 1 68 HIS H . . 4.450 4.359 4.220 4.451 0.001 13 0 "[ . 1 . 2]" 1
1055 1 67 LEU H 1 87 TYR QD . . 4.610 3.738 3.569 3.946 . 0 0 "[ . 1 . 2]" 1
1056 1 67 LEU H 1 87 TYR QE . . 4.300 3.078 2.729 3.375 . 0 0 "[ . 1 . 2]" 1
1057 1 67 LEU HA 1 67 LEU MD1 . . 3.290 2.279 1.979 2.576 . 0 0 "[ . 1 . 2]" 1
1058 1 67 LEU HA 1 67 LEU MD2 . . 4.110 3.922 3.875 3.975 . 0 0 "[ . 1 . 2]" 1
1059 1 67 LEU HA 1 67 LEU HG . . 4.040 3.004 2.821 3.130 . 0 0 "[ . 1 . 2]" 1
1060 1 67 LEU HA 1 68 HIS H . . 2.800 2.146 2.139 2.159 . 0 0 "[ . 1 . 2]" 1
1061 1 67 LEU HA 1 86 PHE H . . 4.540 4.428 4.319 4.534 . 0 0 "[ . 1 . 2]" 1
1062 1 67 LEU HA 1 87 TYR HA . . 3.510 2.517 2.259 2.764 . 0 0 "[ . 1 . 2]" 1
1063 1 67 LEU HA 1 87 TYR HB2 . . 5.240 4.167 3.943 4.381 . 0 0 "[ . 1 . 2]" 1
1064 1 67 LEU HA 1 87 TYR QB . . 4.610 4.003 3.795 4.171 . 0 0 "[ . 1 . 2]" 1
1065 1 67 LEU HA 1 87 TYR HB3 . . 5.240 5.178 4.939 5.243 0.003 10 0 "[ . 1 . 2]" 1
1066 1 67 LEU HA 1 87 TYR QD . . 3.910 2.297 1.999 2.625 . 0 0 "[ . 1 . 2]" 1
1067 1 67 LEU HA 1 88 VAL H . . 4.230 3.821 3.481 4.141 . 0 0 "[ . 1 . 2]" 1
1068 1 67 LEU QB 1 68 HIS H . . 4.000 3.827 3.709 3.913 . 0 0 "[ . 1 . 2]" 1
1069 1 67 LEU QB 1 87 TYR QD . . 3.660 2.298 2.012 2.519 . 0 0 "[ . 1 . 2]" 1
1070 1 67 LEU QB 1 87 TYR QE . . 3.670 2.749 2.564 2.963 . 0 0 "[ . 1 . 2]" 1
1071 1 67 LEU HB2 1 67 LEU MD1 . . 3.460 2.214 2.042 2.383 . 0 0 "[ . 1 . 2]" 1
1072 1 67 LEU HB2 1 67 LEU MD2 . . 3.220 2.490 2.333 2.659 . 0 0 "[ . 1 . 2]" 1
1073 1 67 LEU HB2 1 68 HIS H . . 4.580 4.317 4.184 4.464 . 0 0 "[ . 1 . 2]" 1
1074 1 67 LEU HB2 1 87 TYR QD . . 4.210 2.316 2.023 2.545 . 0 0 "[ . 1 . 2]" 1
1075 1 67 LEU HB2 1 87 TYR QE . . 4.330 2.803 2.614 3.019 . 0 0 "[ . 1 . 2]" 1
1076 1 67 LEU HB3 1 67 LEU MD1 . . 3.460 3.168 3.130 3.194 . 0 0 "[ . 1 . 2]" 1
1077 1 67 LEU HB3 1 67 LEU MD2 . . 3.220 2.203 1.997 2.346 . 0 0 "[ . 1 . 2]" 1
1078 1 67 LEU HB3 1 68 HIS H . . 4.580 4.277 4.092 4.369 . 0 0 "[ . 1 . 2]" 1
1079 1 67 LEU HB3 1 87 TYR QD . . 4.210 3.882 3.560 4.025 . 0 0 "[ . 1 . 2]" 1
1080 1 67 LEU HB3 1 87 TYR QE . . 4.330 3.979 3.661 4.332 0.002 3 0 "[ . 1 . 2]" 1
1081 1 67 LEU MD1 1 68 HIS H . . 3.370 2.989 2.520 3.287 . 0 0 "[ . 1 . 2]" 1
1082 1 67 LEU MD1 1 85 GLN H . . 5.360 5.118 4.916 5.312 . 0 0 "[ . 1 . 2]" 1
1083 1 67 LEU MD1 1 85 GLN HA . . 4.310 3.617 3.188 4.025 . 0 0 "[ . 1 . 2]" 1
1084 1 67 LEU MD1 1 85 GLN HB2 . . 3.900 3.096 1.982 3.894 . 0 0 "[ . 1 . 2]" 1
1085 1 67 LEU MD1 1 85 GLN QB . . 3.290 2.085 1.954 2.460 . 0 0 "[ . 1 . 2]" 1
1086 1 67 LEU MD1 1 85 GLN HB3 . . 3.900 2.544 1.965 3.853 . 0 0 "[ . 1 . 2]" 1
1087 1 67 LEU MD1 1 85 GLN HG2 . . 4.450 3.380 2.672 4.242 . 0 0 "[ . 1 . 2]" 1
1088 1 67 LEU MD1 1 85 GLN QG . . 3.720 2.893 2.232 3.695 . 0 0 "[ . 1 . 2]" 1
1089 1 67 LEU MD1 1 85 GLN HG3 . . 4.450 3.675 2.252 4.443 . 0 0 "[ . 1 . 2]" 1
1090 1 67 LEU MD1 1 86 PHE H . . 3.700 3.019 2.561 3.507 . 0 0 "[ . 1 . 2]" 1
1091 1 67 LEU MD1 1 86 PHE QB . . 5.300 4.788 4.336 5.282 . 0 0 "[ . 1 . 2]" 1
1092 1 67 LEU MD1 1 87 TYR H . . 4.240 3.525 3.041 4.088 . 0 0 "[ . 1 . 2]" 1
1093 1 67 LEU MD1 1 87 TYR HA . . 3.960 3.046 2.428 3.700 . 0 0 "[ . 1 . 2]" 1
1094 1 67 LEU MD1 1 87 TYR QB . . 4.260 2.956 2.607 3.508 . 0 0 "[ . 1 . 2]" 1
1095 1 67 LEU MD1 1 87 TYR QD . . 3.370 2.356 2.102 2.703 . 0 0 "[ . 1 . 2]" 1
1096 1 67 LEU MD1 1 87 TYR QE . . 4.200 4.004 3.799 4.162 . 0 0 "[ . 1 . 2]" 1
1097 1 67 LEU MD2 1 68 HIS H . . 5.050 4.666 4.360 4.927 . 0 0 "[ . 1 . 2]" 1
1098 1 67 LEU MD2 1 85 GLN HE21 . . 3.960 3.000 2.033 3.909 . 0 0 "[ . 1 . 2]" 1
1099 1 67 LEU MD2 1 85 GLN HE22 . . 3.960 2.797 2.118 3.505 . 0 0 "[ . 1 . 2]" 1
1100 1 67 LEU MD2 1 85 GLN HG2 . . 4.650 3.638 2.431 4.609 . 0 0 "[ . 1 . 2]" 1
1101 1 67 LEU MD2 1 85 GLN QG . . 3.890 3.270 2.406 3.659 . 0 0 "[ . 1 . 2]" 1
1102 1 67 LEU MD2 1 85 GLN HG3 . . 4.650 4.122 3.486 4.524 . 0 0 "[ . 1 . 2]" 1
1103 1 67 LEU HG 1 68 HIS H . . 3.980 3.215 2.775 3.596 . 0 0 "[ . 1 . 2]" 1
1104 1 67 LEU HG 1 68 HIS HA . . 5.150 4.095 3.815 4.449 . 0 0 "[ . 1 . 2]" 1
1105 1 67 LEU HG 1 85 GLN QG . . 4.820 3.606 2.704 4.623 . 0 0 "[ . 1 . 2]" 1
1106 1 67 LEU HG 1 86 PHE H . . 5.000 4.108 3.710 4.584 . 0 0 "[ . 1 . 2]" 1
1107 1 68 HIS H 1 68 HIS HB2 . . 3.320 2.539 2.471 2.670 . 0 0 "[ . 1 . 2]" 1
1108 1 68 HIS H 1 68 HIS HB3 . . 3.800 3.708 3.659 3.790 . 0 0 "[ . 1 . 2]" 1
1109 1 68 HIS H 1 68 HIS HD1 . . 5.130 2.435 2.163 2.669 . 0 0 "[ . 1 . 2]" 1
1110 1 68 HIS H 1 69 GLU H . . 4.580 4.451 4.354 4.523 . 0 0 "[ . 1 . 2]" 1
1111 1 68 HIS H 1 86 PHE H . . 3.520 3.132 2.959 3.513 . 0 0 "[ . 1 . 2]" 1
1112 1 68 HIS H 1 86 PHE QD . . 4.740 4.315 4.157 4.448 . 0 0 "[ . 1 . 2]" 1
1113 1 68 HIS H 1 87 TYR HA . . 3.600 3.394 3.168 3.540 . 0 0 "[ . 1 . 2]" 1
1114 1 68 HIS H 1 87 TYR QD . . 4.570 4.259 3.960 4.560 . 0 0 "[ . 1 . 2]" 1
1115 1 68 HIS H 1 88 VAL H . . 4.560 4.511 4.282 4.562 0.002 11 0 "[ . 1 . 2]" 1
1116 1 68 HIS HA 1 68 HIS HD2 . . 4.860 3.768 3.595 3.892 . 0 0 "[ . 1 . 2]" 1
1117 1 68 HIS HA 1 69 GLU H . . 2.780 2.175 2.148 2.217 . 0 0 "[ . 1 . 2]" 1
1118 1 68 HIS HA 1 69 GLU HA . . 4.800 4.387 4.385 4.399 . 0 0 "[ . 1 . 2]" 1
1119 1 68 HIS HA 1 69 GLU QB . . 4.830 4.024 3.991 4.054 . 0 0 "[ . 1 . 2]" 1
1120 1 68 HIS HB2 1 69 GLU H . . 4.250 4.134 3.990 4.240 . 0 0 "[ . 1 . 2]" 1
1121 1 68 HIS HB2 1 86 PHE H . . 4.190 3.759 3.502 4.190 . 0 0 "[ . 1 . 2]" 1
1122 1 68 HIS HB2 1 86 PHE QD . . 4.650 3.445 3.270 3.618 . 0 0 "[ . 1 . 2]" 1
1123 1 68 HIS HB2 1 86 PHE QE . . 4.350 2.753 2.564 3.114 . 0 0 "[ . 1 . 2]" 1
1124 1 68 HIS HB2 1 86 PHE HZ . . 4.810 3.003 2.649 3.295 . 0 0 "[ . 1 . 2]" 1
1125 1 68 HIS HB3 1 68 HIS HD2 . . 3.770 2.704 2.693 2.730 . 0 0 "[ . 1 . 2]" 1
1126 1 68 HIS HB3 1 69 GLU H . . 4.060 3.159 2.966 3.343 . 0 0 "[ . 1 . 2]" 1
1127 1 68 HIS HB3 1 86 PHE QD . . 4.830 4.655 4.402 4.818 . 0 0 "[ . 1 . 2]" 1
1128 1 68 HIS HB3 1 86 PHE QE . . 4.380 3.371 3.147 3.614 . 0 0 "[ . 1 . 2]" 1
1129 1 68 HIS HB3 1 86 PHE HZ . . 4.340 2.839 2.450 3.221 . 0 0 "[ . 1 . 2]" 1
1130 1 68 HIS HD1 1 87 TYR HA . . 4.360 3.777 3.527 4.049 . 0 0 "[ . 1 . 2]" 1
1131 1 68 HIS HD1 1 88 VAL H . . 5.500 3.538 3.258 3.795 . 0 0 "[ . 1 . 2]" 1
1132 1 68 HIS HD1 1 88 VAL MG2 . . 4.960 2.592 2.041 3.224 . 0 0 "[ . 1 . 2]" 1
1133 1 68 HIS HD2 1 69 GLU H . . 5.270 4.959 4.827 5.099 . 0 0 "[ . 1 . 2]" 1
1134 1 68 HIS HD2 1 86 PHE HZ . . 4.740 4.541 4.213 4.717 . 0 0 "[ . 1 . 2]" 1
1135 1 68 HIS HE1 1 88 VAL H . . 4.570 4.287 3.944 4.562 . 0 0 "[ . 1 . 2]" 1
1136 1 68 HIS HE1 1 88 VAL HB . . 3.610 3.170 2.659 3.481 . 0 0 "[ . 1 . 2]" 1
1137 1 68 HIS HE1 1 88 VAL MG1 . . 4.450 4.136 3.853 4.421 . 0 0 "[ . 1 . 2]" 1
1138 1 68 HIS HE1 1 88 VAL MG2 . . 4.040 2.918 2.451 3.565 . 0 0 "[ . 1 . 2]" 1
1139 1 69 GLU H 1 69 GLU QB . . 2.950 2.381 2.362 2.432 . 0 0 "[ . 1 . 2]" 1
1140 1 69 GLU H 1 69 GLU HG2 . . 4.320 4.311 4.261 4.323 0.003 9 0 "[ . 1 . 2]" 1
1141 1 69 GLU H 1 69 GLU HG3 . . 4.580 4.555 4.512 4.599 0.019 12 0 "[ . 1 . 2]" 1
1142 1 69 GLU H 1 70 MET H . . 4.530 4.325 4.282 4.376 . 0 0 "[ . 1 . 2]" 1
1143 1 69 GLU HA 1 69 GLU HG2 . . 3.760 3.498 3.392 3.584 . 0 0 "[ . 1 . 2]" 1
1144 1 69 GLU HA 1 69 GLU HG3 . . 3.560 2.568 2.557 2.610 . 0 0 "[ . 1 . 2]" 1
1145 1 69 GLU HA 1 70 MET H . . 2.720 2.141 2.139 2.148 . 0 0 "[ . 1 . 2]" 1
1146 1 69 GLU HA 1 84 LEU H . . 4.880 4.281 3.998 4.656 . 0 0 "[ . 1 . 2]" 1
1147 1 69 GLU HA 1 86 PHE H . . 4.130 3.904 3.702 4.124 . 0 0 "[ . 1 . 2]" 1
1148 1 69 GLU HA 1 86 PHE QE . . 4.830 3.852 3.169 4.337 . 0 0 "[ . 1 . 2]" 1
1149 1 69 GLU QB 1 70 MET H . . 4.130 3.819 3.756 3.839 . 0 0 "[ . 1 . 2]" 1
1150 1 69 GLU QB 1 71 HIS HD2 . . 3.930 3.795 3.682 3.890 . 0 0 "[ . 1 . 2]" 1
1151 1 69 GLU HG2 1 70 MET H . . 3.880 3.810 3.550 3.874 . 0 0 "[ . 1 . 2]" 1
1152 1 69 GLU HG2 1 71 HIS HD2 . . 3.600 2.008 1.999 2.032 . 0 0 "[ . 1 . 2]" 1
1153 1 69 GLU HG2 1 83 PRO HB2 . . 4.420 3.473 2.716 3.844 . 0 0 "[ . 1 . 2]" 1
1154 1 69 GLU HG2 1 83 PRO QB . . 3.780 3.220 2.612 3.510 . 0 0 "[ . 1 . 2]" 1
1155 1 69 GLU HG2 1 83 PRO HB3 . . 4.420 3.825 3.392 4.172 . 0 0 "[ . 1 . 2]" 1
1156 1 69 GLU HG3 1 70 MET H . . 3.410 2.944 2.711 3.036 . 0 0 "[ . 1 . 2]" 1
1157 1 69 GLU HG3 1 71 HIS HD2 . . 4.180 2.940 2.494 3.380 . 0 0 "[ . 1 . 2]" 1
1158 1 69 GLU HG3 1 83 PRO HB2 . . 4.750 2.630 2.340 2.899 . 0 0 "[ . 1 . 2]" 1
1159 1 69 GLU HG3 1 83 PRO QB . . 3.960 2.575 2.318 2.826 . 0 0 "[ . 1 . 2]" 1
1160 1 69 GLU HG3 1 83 PRO HB3 . . 4.750 3.697 3.367 4.021 . 0 0 "[ . 1 . 2]" 1
1161 1 69 GLU HG3 1 84 LEU H . . 4.040 3.312 2.918 3.707 . 0 0 "[ . 1 . 2]" 1
1162 1 70 MET H 1 70 MET HB2 . . 3.500 2.751 2.623 2.861 . 0 0 "[ . 1 . 2]" 1
1163 1 70 MET H 1 70 MET HB3 . . 3.300 2.540 2.484 2.608 . 0 0 "[ . 1 . 2]" 1
1164 1 70 MET H 1 70 MET HG2 . . 4.700 4.456 4.404 4.534 . 0 0 "[ . 1 . 2]" 1
1165 1 70 MET H 1 70 MET HG3 . . 4.630 4.553 4.479 4.588 . 0 0 "[ . 1 . 2]" 1
1166 1 70 MET H 1 71 HIS H . . 4.690 4.564 4.537 4.582 . 0 0 "[ . 1 . 2]" 1
1167 1 70 MET H 1 71 HIS HD2 . . 4.480 3.799 3.658 3.998 . 0 0 "[ . 1 . 2]" 1
1168 1 70 MET H 1 84 LEU H . . 3.500 2.969 2.748 3.211 . 0 0 "[ . 1 . 2]" 1
1169 1 70 MET H 1 84 LEU HB2 . . 4.930 4.849 4.695 4.933 0.003 15 0 "[ . 1 . 2]" 1
1170 1 70 MET H 1 84 LEU HB3 . . 5.500 5.281 5.128 5.426 . 0 0 "[ . 1 . 2]" 1
1171 1 70 MET H 1 84 LEU MD1 . . 4.670 2.502 2.286 2.797 . 0 0 "[ . 1 . 2]" 1
1172 1 70 MET H 1 84 LEU HG . . 3.990 3.170 2.876 3.608 . 0 0 "[ . 1 . 2]" 1
1173 1 70 MET H 1 85 GLN HA . . 4.190 3.653 3.205 4.193 0.003 15 0 "[ . 1 . 2]" 1
1174 1 70 MET HA 1 70 MET ME . . 4.200 3.689 3.430 3.952 . 0 0 "[ . 1 . 2]" 1
1175 1 70 MET HA 1 70 MET HG2 . . 3.760 3.148 3.017 3.294 . 0 0 "[ . 1 . 2]" 1
1176 1 70 MET HA 1 70 MET HG3 . . 3.760 2.492 2.365 2.591 . 0 0 "[ . 1 . 2]" 1
1177 1 70 MET HA 1 71 HIS H . . 2.670 2.256 2.223 2.264 . 0 0 "[ . 1 . 2]" 1
1178 1 70 MET HA 1 71 HIS HD2 . . 3.720 3.309 3.234 3.466 . 0 0 "[ . 1 . 2]" 1
1179 1 70 MET HA 1 84 LEU H . . 5.420 4.830 4.744 4.933 . 0 0 "[ . 1 . 2]" 1
1180 1 70 MET HA 1 84 LEU MD1 . . 5.290 4.248 4.073 4.424 . 0 0 "[ . 1 . 2]" 1
1181 1 70 MET HA 1 86 PHE QE . . 5.200 3.970 3.603 4.251 . 0 0 "[ . 1 . 2]" 1
1182 1 70 MET HB2 1 70 MET ME . . 3.330 2.073 1.944 2.231 . 0 0 "[ . 1 . 2]" 1
1183 1 70 MET HB2 1 71 HIS H . . 4.190 4.034 3.990 4.102 . 0 0 "[ . 1 . 2]" 1
1184 1 70 MET HB2 1 84 LEU MD1 . . 4.610 2.521 2.218 2.705 . 0 0 "[ . 1 . 2]" 1
1185 1 70 MET HB2 1 86 PHE QE . . 3.430 2.147 1.999 2.296 . 0 0 "[ . 1 . 2]" 1
1186 1 70 MET HB3 1 70 MET ME . . 3.690 3.196 2.944 3.451 . 0 0 "[ . 1 . 2]" 1
1187 1 70 MET HB3 1 71 HIS H . . 4.990 3.862 3.777 3.932 . 0 0 "[ . 1 . 2]" 1
1188 1 70 MET HB3 1 84 LEU H . . 3.910 3.267 2.826 3.656 . 0 0 "[ . 1 . 2]" 1
1189 1 70 MET HB3 1 84 LEU MD1 . . 3.750 2.113 1.971 2.333 . 0 0 "[ . 1 . 2]" 1
1190 1 70 MET HB3 1 84 LEU HG . . 3.480 2.088 2.000 2.351 . 0 0 "[ . 1 . 2]" 1
1191 1 70 MET HB3 1 86 PHE QD . . 4.470 4.394 4.276 4.469 . 0 0 "[ . 1 . 2]" 1
1192 1 70 MET HB3 1 86 PHE QE . . 3.780 3.261 3.072 3.489 . 0 0 "[ . 1 . 2]" 1
1193 1 70 MET ME 1 70 MET HG2 . . 3.880 3.379 3.363 3.398 . 0 0 "[ . 1 . 2]" 1
1194 1 70 MET ME 1 70 MET HG3 . . 3.220 2.427 2.318 2.521 . 0 0 "[ . 1 . 2]" 1
1195 1 70 MET ME 1 86 PHE QE . . 3.900 2.771 2.395 3.189 . 0 0 "[ . 1 . 2]" 1
1196 1 70 MET ME 1 86 PHE HZ . . 3.190 3.081 2.886 3.187 . 0 0 "[ . 1 . 2]" 1
1197 1 70 MET HG2 1 71 HIS H . . 3.600 2.564 2.347 2.765 . 0 0 "[ . 1 . 2]" 1
1198 1 70 MET HG2 1 71 HIS HA . . 4.570 3.803 3.693 4.039 . 0 0 "[ . 1 . 2]" 1
1199 1 70 MET HG2 1 72 ILE MD . . 3.370 2.964 2.746 3.135 . 0 0 "[ . 1 . 2]" 1
1200 1 70 MET HG2 1 72 ILE HG12 . . 3.740 3.415 3.288 3.573 . 0 0 "[ . 1 . 2]" 1
1201 1 70 MET HG2 1 72 ILE HG13 . . 3.760 2.196 2.079 2.319 . 0 0 "[ . 1 . 2]" 1
1202 1 70 MET HG2 1 86 PHE QE . . 5.330 5.055 4.933 5.189 . 0 0 "[ . 1 . 2]" 1
1203 1 70 MET HG3 1 71 HIS H . . 3.620 2.615 2.414 2.841 . 0 0 "[ . 1 . 2]" 1
1204 1 70 MET HG3 1 72 ILE MD . . 3.980 3.918 3.729 3.981 0.001 11 0 "[ . 1 . 2]" 1
1205 1 70 MET HG3 1 72 ILE HG12 . . 4.300 4.239 4.143 4.300 0.000 12 0 "[ . 1 . 2]" 1
1206 1 70 MET HG3 1 72 ILE HG13 . . 3.870 3.607 3.409 3.788 . 0 0 "[ . 1 . 2]" 1
1207 1 70 MET HG3 1 86 PHE QE . . 4.720 4.481 4.257 4.713 . 0 0 "[ . 1 . 2]" 1
1208 1 71 HIS H 1 71 HIS HB2 . . 3.250 2.631 2.601 2.660 . 0 0 "[ . 1 . 2]" 1
1209 1 71 HIS H 1 71 HIS HB3 . . 3.850 3.750 3.725 3.771 . 0 0 "[ . 1 . 2]" 1
1210 1 71 HIS H 1 71 HIS HD2 . . 3.710 3.344 3.289 3.462 . 0 0 "[ . 1 . 2]" 1
1211 1 71 HIS H 1 72 ILE H . . 4.700 4.036 3.911 4.160 . 0 0 "[ . 1 . 2]" 1
1212 1 71 HIS H 1 72 ILE MD . . 5.050 4.903 4.726 5.003 . 0 0 "[ . 1 . 2]" 1
1213 1 71 HIS H 1 72 ILE HG12 . . 4.780 4.642 4.440 4.757 . 0 0 "[ . 1 . 2]" 1
1214 1 71 HIS H 1 72 ILE HG13 . . 4.910 3.716 3.594 3.826 . 0 0 "[ . 1 . 2]" 1
1215 1 71 HIS HA 1 71 HIS HD2 . . 3.940 3.280 3.126 3.481 . 0 0 "[ . 1 . 2]" 1
1216 1 71 HIS HA 1 72 ILE H . . 2.850 2.156 2.140 2.181 . 0 0 "[ . 1 . 2]" 1
1217 1 71 HIS HA 1 72 ILE HA . . 4.610 4.397 4.390 4.408 . 0 0 "[ . 1 . 2]" 1
1218 1 71 HIS HA 1 72 ILE HB . . 4.760 4.720 4.654 4.761 0.001 1 0 "[ . 1 . 2]" 1
1219 1 71 HIS HA 1 72 ILE MD . . 5.240 5.080 4.880 5.226 . 0 0 "[ . 1 . 2]" 1
1220 1 71 HIS HA 1 72 ILE HG12 . . 5.450 5.251 5.007 5.358 . 0 0 "[ . 1 . 2]" 1
1221 1 71 HIS HA 1 72 ILE HG13 . . 4.720 3.859 3.668 3.970 . 0 0 "[ . 1 . 2]" 1
1222 1 71 HIS HA 1 78 HIS HE1 . . 4.400 4.219 3.400 4.402 0.002 11 0 "[ . 1 . 2]" 1
1223 1 71 HIS HA 1 82 SER QB . . 4.880 2.864 2.618 3.724 . 0 0 "[ . 1 . 2]" 1
1224 1 71 HIS HA 1 83 PRO HB2 . . 4.690 4.359 3.912 4.687 . 0 0 "[ . 1 . 2]" 1
1225 1 71 HIS HA 1 83 PRO QB . . 4.000 2.999 2.357 3.363 . 0 0 "[ . 1 . 2]" 1
1226 1 71 HIS HA 1 83 PRO HB3 . . 4.690 3.057 2.377 3.446 . 0 0 "[ . 1 . 2]" 1
1227 1 71 HIS HA 1 84 LEU H . . 4.480 4.185 3.896 4.409 . 0 0 "[ . 1 . 2]" 1
1228 1 71 HIS HB2 1 72 ILE H . . 4.580 4.482 4.411 4.530 . 0 0 "[ . 1 . 2]" 1
1229 1 71 HIS HB2 1 78 HIS HE1 . . 5.100 5.002 4.512 5.104 0.004 10 0 "[ . 1 . 2]" 1
1230 1 71 HIS HB3 1 72 ILE H . . 4.190 3.698 3.523 3.845 . 0 0 "[ . 1 . 2]" 1
1231 1 71 HIS HB3 1 73 LYS HE2 . . 4.520 3.696 2.924 4.487 . 0 0 "[ . 1 . 2]" 1
1232 1 71 HIS HB3 1 73 LYS QE . . 3.740 2.916 2.412 3.599 . 0 0 "[ . 1 . 2]" 1
1233 1 71 HIS HB3 1 73 LYS HE3 . . 4.520 3.199 2.454 4.490 . 0 0 "[ . 1 . 2]" 1
1234 1 71 HIS HB3 1 78 HIS HE1 . . 3.940 3.393 2.874 3.530 . 0 0 "[ . 1 . 2]" 1
1235 1 71 HIS HD2 1 83 PRO HA . . 4.510 4.236 3.890 4.467 . 0 0 "[ . 1 . 2]" 1
1236 1 71 HIS HD2 1 83 PRO HB2 . . 4.110 3.638 3.305 4.027 . 0 0 "[ . 1 . 2]" 1
1237 1 71 HIS HD2 1 83 PRO QB . . 3.490 2.978 2.714 3.296 . 0 0 "[ . 1 . 2]" 1
1238 1 71 HIS HD2 1 83 PRO HB3 . . 4.110 3.164 2.847 3.498 . 0 0 "[ . 1 . 2]" 1
1239 1 71 HIS HD2 1 84 LEU H . . 4.630 4.242 3.791 4.630 0.000 12 0 "[ . 1 . 2]" 1
1240 1 71 HIS HE1 1 78 HIS HE1 . . 4.880 4.073 3.770 4.488 . 0 0 "[ . 1 . 2]" 1
1241 1 72 ILE H 1 72 ILE HB . . 3.690 2.659 2.601 2.768 . 0 0 "[ . 1 . 2]" 1
1242 1 72 ILE H 1 72 ILE MD . . 4.670 3.891 3.737 4.095 . 0 0 "[ . 1 . 2]" 1
1243 1 72 ILE H 1 72 ILE HG12 . . 4.060 3.937 3.856 4.061 0.001 15 0 "[ . 1 . 2]" 1
1244 1 72 ILE H 1 72 ILE HG13 . . 4.200 2.708 2.597 2.906 . 0 0 "[ . 1 . 2]" 1
1245 1 72 ILE H 1 73 LYS H . . 4.750 4.433 4.308 4.492 . 0 0 "[ . 1 . 2]" 1
1246 1 72 ILE H 1 73 LYS HG3 . . 5.240 4.094 3.878 4.274 . 0 0 "[ . 1 . 2]" 1
1247 1 72 ILE H 1 79 ILE MD . . 5.270 3.896 3.634 4.261 . 0 0 "[ . 1 . 2]" 1
1248 1 72 ILE H 1 79 ILE QG . . 4.270 3.792 3.522 4.118 . 0 0 "[ . 1 . 2]" 1
1249 1 72 ILE H 1 82 SER HA . . 4.990 4.748 4.138 4.933 . 0 0 "[ . 1 . 2]" 1
1250 1 72 ILE H 1 82 SER HB2 . . 4.090 2.941 2.683 3.336 . 0 0 "[ . 1 . 2]" 1
1251 1 72 ILE H 1 82 SER QB . . 3.470 2.241 2.103 2.393 . 0 0 "[ . 1 . 2]" 1
1252 1 72 ILE H 1 82 SER HB3 . . 4.090 2.330 2.155 2.507 . 0 0 "[ . 1 . 2]" 1
1253 1 72 ILE HA 1 72 ILE MD . . 3.910 3.871 3.834 3.911 0.001 20 0 "[ . 1 . 2]" 1
1254 1 72 ILE HA 1 72 ILE HG12 . . 4.160 2.622 2.541 2.723 . 0 0 "[ . 1 . 2]" 1
1255 1 72 ILE HA 1 72 ILE HG13 . . 4.030 2.981 2.933 3.077 . 0 0 "[ . 1 . 2]" 1
1256 1 72 ILE HA 1 72 ILE MG . . 3.360 2.349 2.242 2.436 . 0 0 "[ . 1 . 2]" 1
1257 1 72 ILE HA 1 73 LYS H . . 2.820 2.190 2.147 2.256 . 0 0 "[ . 1 . 2]" 1
1258 1 72 ILE HB 1 72 ILE MD . . 3.310 2.329 2.257 2.411 . 0 0 "[ . 1 . 2]" 1
1259 1 72 ILE HB 1 73 LYS H . . 4.390 4.012 3.849 4.166 . 0 0 "[ . 1 . 2]" 1
1260 1 72 ILE HB 1 79 ILE H . . 4.710 4.503 4.267 4.699 . 0 0 "[ . 1 . 2]" 1
1261 1 72 ILE HB 1 79 ILE MD . . 3.510 2.077 1.861 2.303 . 0 0 "[ . 1 . 2]" 1
1262 1 72 ILE HB 1 79 ILE QG . . 3.430 2.769 2.508 3.058 . 0 0 "[ . 1 . 2]" 1
1263 1 72 ILE HB 1 82 SER H . . 5.500 5.229 4.993 5.488 . 0 0 "[ . 1 . 2]" 1
1264 1 72 ILE HB 1 82 SER HB2 . . 4.600 2.944 2.471 3.179 . 0 0 "[ . 1 . 2]" 1
1265 1 72 ILE HB 1 82 SER QB . . 3.720 2.842 2.360 3.076 . 0 0 "[ . 1 . 2]" 1
1266 1 72 ILE HB 1 82 SER HB3 . . 4.600 3.760 2.917 4.097 . 0 0 "[ . 1 . 2]" 1
1267 1 72 ILE MD 1 82 SER HG . . 4.740 3.281 2.479 4.110 . 0 0 "[ . 1 . 2]" 1
1268 1 72 ILE HG12 1 72 ILE MG . . 3.110 2.284 2.167 2.400 . 0 0 "[ . 1 . 2]" 1
1269 1 72 ILE HG12 1 73 LYS H . . 5.430 4.362 4.211 4.493 . 0 0 "[ . 1 . 2]" 1
1270 1 72 ILE HG13 1 72 ILE MG . . 3.270 3.188 3.171 3.203 . 0 0 "[ . 1 . 2]" 1
1271 1 72 ILE HG13 1 73 LYS H . . 5.180 4.969 4.896 5.093 . 0 0 "[ . 1 . 2]" 1
1272 1 72 ILE HG13 1 82 SER HG . . 5.500 3.420 2.159 4.247 . 0 0 "[ . 1 . 2]" 1
1273 1 72 ILE MG 1 73 LYS H . . 3.220 2.207 1.916 2.676 . 0 0 "[ . 1 . 2]" 1
1274 1 73 LYS H 1 73 LYS HB2 . . 3.390 2.764 2.632 2.903 . 0 0 "[ . 1 . 2]" 1
1275 1 73 LYS H 1 73 LYS HB3 . . 4.000 3.840 3.759 3.920 . 0 0 "[ . 1 . 2]" 1
1276 1 73 LYS H 1 73 LYS HG2 . . 4.540 4.280 4.083 4.541 0.001 15 0 "[ . 1 . 2]" 1
1277 1 73 LYS H 1 73 LYS HG3 . . 3.420 3.019 2.844 3.421 0.001 15 0 "[ . 1 . 2]" 1
1278 1 73 LYS H 1 74 TYR H . . 4.460 4.261 4.137 4.363 . 0 0 "[ . 1 . 2]" 1
1279 1 73 LYS HA 1 73 LYS HD2 . . 5.040 4.556 4.438 4.694 . 0 0 "[ . 1 . 2]" 1
1280 1 73 LYS HA 1 73 LYS QD . . 4.400 4.119 4.088 4.134 . 0 0 "[ . 1 . 2]" 1
1281 1 73 LYS HA 1 73 LYS HD3 . . 5.040 4.706 4.561 4.812 . 0 0 "[ . 1 . 2]" 1
1282 1 73 LYS HA 1 73 LYS HG2 . . 3.910 2.811 2.652 2.929 . 0 0 "[ . 1 . 2]" 1
1283 1 73 LYS HA 1 73 LYS HG3 . . 4.120 2.866 2.670 3.013 . 0 0 "[ . 1 . 2]" 1
1284 1 73 LYS HA 1 74 TYR H . . 2.790 2.156 2.141 2.199 . 0 0 "[ . 1 . 2]" 1
1285 1 73 LYS HA 1 74 TYR HA . . 4.950 4.383 4.374 4.390 . 0 0 "[ . 1 . 2]" 1
1286 1 73 LYS HA 1 74 TYR HB2 . . 4.810 4.664 4.461 4.781 . 0 0 "[ . 1 . 2]" 1
1287 1 73 LYS HA 1 74 TYR HB3 . . 4.980 4.457 4.386 4.557 . 0 0 "[ . 1 . 2]" 1
1288 1 73 LYS HA 1 78 HIS HA . . 4.380 2.457 2.220 2.706 . 0 0 "[ . 1 . 2]" 1
1289 1 73 LYS HA 1 79 ILE H . . 3.530 3.347 3.180 3.496 . 0 0 "[ . 1 . 2]" 1
1290 1 73 LYS HA 1 79 ILE MG . . 4.320 3.560 2.944 4.207 . 0 0 "[ . 1 . 2]" 1
1291 1 73 LYS HB2 1 73 LYS HD2 . . 4.030 2.304 2.109 2.717 . 0 0 "[ . 1 . 2]" 1
1292 1 73 LYS HB2 1 73 LYS QD . . 3.510 2.218 2.072 2.527 . 0 0 "[ . 1 . 2]" 1
1293 1 73 LYS HB2 1 73 LYS HD3 . . 4.030 3.176 2.321 3.683 . 0 0 "[ . 1 . 2]" 1
1294 1 73 LYS HB2 1 73 LYS QE . . 4.890 3.475 2.423 4.027 . 0 0 "[ . 1 . 2]" 1
1295 1 73 LYS HB2 1 74 TYR H . . 4.430 4.168 3.970 4.352 . 0 0 "[ . 1 . 2]" 1
1296 1 73 LYS HB2 1 76 GLY H . . 4.250 4.096 3.586 4.251 0.001 10 0 "[ . 1 . 2]" 1
1297 1 73 LYS HB2 1 76 GLY HA2 . . 5.010 4.039 3.666 4.249 . 0 0 "[ . 1 . 2]" 1
1298 1 73 LYS HB2 1 77 SER H . . 4.430 4.263 4.047 4.433 0.003 15 0 "[ . 1 . 2]" 1
1299 1 73 LYS HB3 1 74 TYR H . . 3.450 3.291 3.037 3.439 . 0 0 "[ . 1 . 2]" 1
1300 1 73 LYS HB3 1 76 GLY H . . 3.970 3.631 3.197 3.937 . 0 0 "[ . 1 . 2]" 1
1301 1 73 LYS HB3 1 76 GLY HA2 . . 4.320 3.308 3.066 3.597 . 0 0 "[ . 1 . 2]" 1
1302 1 73 LYS HB3 1 76 GLY HA3 . . 5.150 4.840 4.594 5.105 . 0 0 "[ . 1 . 2]" 1
1303 1 73 LYS HB3 1 77 SER H . . 3.410 2.864 2.584 3.129 . 0 0 "[ . 1 . 2]" 1
1304 1 73 LYS HB3 1 78 HIS H . . 5.030 4.254 4.008 4.792 . 0 0 "[ . 1 . 2]" 1
1305 1 73 LYS QD 1 77 SER H . . 5.230 4.866 4.532 5.205 . 0 0 "[ . 1 . 2]" 1
1306 1 73 LYS QE 1 73 LYS HG2 . . 3.570 2.814 2.358 3.290 . 0 0 "[ . 1 . 2]" 1
1307 1 73 LYS QE 1 73 LYS HG3 . . 3.540 2.231 2.066 2.665 . 0 0 "[ . 1 . 2]" 1
1308 1 73 LYS QE 1 78 HIS HD2 . . 4.470 3.918 3.506 4.467 . 0 0 "[ . 1 . 2]" 1
1309 1 73 LYS QE 1 78 HIS HE1 . . 4.170 3.062 2.442 4.070 . 0 0 "[ . 1 . 2]" 1
1310 1 73 LYS HE2 1 73 LYS HG2 . . 4.160 3.237 2.392 4.115 . 0 0 "[ . 1 . 2]" 1
1311 1 73 LYS HE2 1 73 LYS HG3 . . 4.120 3.036 2.420 3.662 . 0 0 "[ . 1 . 2]" 1
1312 1 73 LYS HE2 1 78 HIS HD2 . . 5.250 4.191 3.596 4.928 . 0 0 "[ . 1 . 2]" 1
1313 1 73 LYS HE2 1 78 HIS HE1 . . 4.890 3.412 2.588 4.728 . 0 0 "[ . 1 . 2]" 1
1314 1 73 LYS HE3 1 73 LYS HG2 . . 4.160 3.266 2.541 3.625 . 0 0 "[ . 1 . 2]" 1
1315 1 73 LYS HE3 1 73 LYS HG3 . . 4.120 2.405 2.084 3.736 . 0 0 "[ . 1 . 2]" 1
1316 1 73 LYS HE3 1 78 HIS HD2 . . 5.250 4.983 3.849 5.253 0.003 15 0 "[ . 1 . 2]" 1
1317 1 73 LYS HE3 1 78 HIS HE1 . . 4.890 3.916 2.464 4.881 . 0 0 "[ . 1 . 2]" 1
1318 1 73 LYS HG2 1 74 TYR H . . 4.700 4.554 4.252 4.701 0.001 10 0 "[ . 1 . 2]" 1
1319 1 73 LYS HG2 1 77 SER H . . 5.110 4.719 4.100 5.083 . 0 0 "[ . 1 . 2]" 1
1320 1 73 LYS HG2 1 78 HIS H . . 4.840 3.826 3.067 4.347 . 0 0 "[ . 1 . 2]" 1
1321 1 73 LYS HG2 1 78 HIS HA . . 3.920 2.648 2.107 2.910 . 0 0 "[ . 1 . 2]" 1
1322 1 73 LYS HG2 1 79 ILE H . . 4.740 4.545 4.195 4.726 . 0 0 "[ . 1 . 2]" 1
1323 1 73 LYS HG3 1 78 HIS HA . . 4.440 3.594 2.838 4.127 . 0 0 "[ . 1 . 2]" 1
1324 1 74 TYR H 1 74 TYR HB2 . . 3.650 3.007 2.897 3.140 . 0 0 "[ . 1 . 2]" 1
1325 1 74 TYR H 1 74 TYR HB3 . . 3.380 2.416 2.321 2.576 . 0 0 "[ . 1 . 2]" 1
1326 1 74 TYR H 1 74 TYR QD . . 4.340 4.224 4.162 4.306 . 0 0 "[ . 1 . 2]" 1
1327 1 74 TYR H 1 76 GLY H . . 4.740 4.416 4.195 4.652 . 0 0 "[ . 1 . 2]" 1
1328 1 74 TYR H 1 77 SER H . . 3.190 2.998 2.850 3.120 . 0 0 "[ . 1 . 2]" 1
1329 1 74 TYR H 1 77 SER HB2 . . 4.910 4.376 3.847 4.916 0.006 18 0 "[ . 1 . 2]" 1
1330 1 74 TYR H 1 77 SER HB3 . . 4.910 4.345 3.563 4.905 . 0 0 "[ . 1 . 2]" 1
1331 1 74 TYR H 1 78 HIS HA . . 3.950 3.653 3.497 3.847 . 0 0 "[ . 1 . 2]" 1
1332 1 74 TYR H 1 79 ILE H . . 4.400 4.216 3.841 4.401 0.001 1 0 "[ . 1 . 2]" 1
1333 1 74 TYR H 1 79 ILE HA . . 5.360 5.024 4.794 5.303 . 0 0 "[ . 1 . 2]" 1
1334 1 74 TYR H 1 79 ILE MG . . 3.430 3.005 2.621 3.432 0.002 7 0 "[ . 1 . 2]" 1
1335 1 74 TYR HA 1 74 TYR QD . . 3.260 2.216 2.052 2.348 . 0 0 "[ . 1 . 2]" 1
1336 1 74 TYR HA 1 74 TYR QE . . 4.680 4.516 4.395 4.621 . 0 0 "[ . 1 . 2]" 1
1337 1 74 TYR HA 1 75 MET H . . 2.770 2.148 2.140 2.162 . 0 0 "[ . 1 . 2]" 1
1338 1 74 TYR HA 1 75 MET HA . . 4.420 4.365 4.358 4.375 . 0 0 "[ . 1 . 2]" 1
1339 1 74 TYR HA 1 76 GLY H . . 4.350 3.910 3.724 4.225 . 0 0 "[ . 1 . 2]" 1
1340 1 74 TYR HA 1 77 SER H . . 4.730 4.200 4.107 4.410 . 0 0 "[ . 1 . 2]" 1
1341 1 74 TYR HB2 1 75 MET H . . 4.510 4.250 4.146 4.369 . 0 0 "[ . 1 . 2]" 1
1342 1 74 TYR HB2 1 79 ILE MG . . 3.610 3.059 2.839 3.255 . 0 0 "[ . 1 . 2]" 1
1343 1 74 TYR HB3 1 75 MET H . . 4.540 4.379 4.222 4.494 . 0 0 "[ . 1 . 2]" 1
1344 1 74 TYR HB3 1 77 SER H . . 4.670 4.288 4.083 4.605 . 0 0 "[ . 1 . 2]" 1
1345 1 74 TYR HB3 1 79 ILE MG . . 3.600 2.875 2.530 3.316 . 0 0 "[ . 1 . 2]" 1
1346 1 74 TYR QD 1 75 MET H . . 3.660 2.532 2.172 2.932 . 0 0 "[ . 1 . 2]" 1
1347 1 74 TYR QD 1 75 MET QB . . 4.520 3.514 3.299 3.781 . 0 0 "[ . 1 . 2]" 1
1348 1 74 TYR QD 1 75 MET QG . . 3.960 3.054 2.858 3.361 . 0 0 "[ . 1 . 2]" 1
1349 1 74 TYR QD 1 79 ILE MG . . 4.180 3.809 3.434 4.184 0.004 3 0 "[ . 1 . 2]" 1
1350 1 74 TYR QE 1 75 MET H . . 4.480 4.143 3.831 4.480 0.000 13 0 "[ . 1 . 2]" 1
1351 1 74 TYR QE 1 75 MET ME . . 4.340 3.595 2.407 4.326 . 0 0 "[ . 1 . 2]" 1
1352 1 74 TYR QE 1 75 MET QG . . 3.760 2.481 2.066 2.870 . 0 0 "[ . 1 . 2]" 1
1353 1 75 MET H 1 75 MET HA . . 2.780 2.277 2.273 2.291 . 0 0 "[ . 1 . 2]" 1
1354 1 75 MET H 1 75 MET HB2 . . 4.200 3.301 3.179 3.446 . 0 0 "[ . 1 . 2]" 1
1355 1 75 MET H 1 75 MET QB . . 3.670 3.165 3.067 3.272 . 0 0 "[ . 1 . 2]" 1
1356 1 75 MET H 1 75 MET HB3 . . 4.200 4.067 4.019 4.102 . 0 0 "[ . 1 . 2]" 1
1357 1 75 MET H 1 75 MET QG . . 3.260 2.954 2.608 3.161 . 0 0 "[ . 1 . 2]" 1
1358 1 75 MET H 1 76 GLY H . . 3.490 2.786 2.667 2.938 . 0 0 "[ . 1 . 2]" 1
1359 1 75 MET H 1 77 SER H . . 4.500 4.080 3.910 4.217 . 0 0 "[ . 1 . 2]" 1
1360 1 75 MET HA 1 75 MET QG . . 3.270 2.278 2.124 2.564 . 0 0 "[ . 1 . 2]" 1
1361 1 75 MET HA 1 76 GLY H . . 3.250 2.794 2.666 2.886 . 0 0 "[ . 1 . 2]" 1
1362 1 75 MET HA 1 76 GLY HA2 . . 4.960 4.744 4.708 4.774 . 0 0 "[ . 1 . 2]" 1
1363 1 75 MET HA 1 76 GLY HA3 . . 5.070 4.338 4.318 4.357 . 0 0 "[ . 1 . 2]" 1
1364 1 75 MET QB 1 76 GLY H . . 4.050 3.855 3.804 3.903 . 0 0 "[ . 1 . 2]" 1
1365 1 75 MET QB 1 77 SER H . . 4.420 4.009 3.734 4.293 . 0 0 "[ . 1 . 2]" 1
1366 1 75 MET HB2 1 76 GLY H . . 4.630 4.298 4.181 4.419 . 0 0 "[ . 1 . 2]" 1
1367 1 75 MET HB3 1 76 GLY H . . 4.630 4.359 4.325 4.414 . 0 0 "[ . 1 . 2]" 1
1368 1 75 MET ME 1 75 MET QG . . 3.570 2.212 1.967 2.537 . 0 0 "[ . 1 . 2]" 1
1369 1 76 GLY H 1 77 SER H . . 3.220 2.559 2.416 2.758 . 0 0 "[ . 1 . 2]" 1
1370 1 77 SER H 1 77 SER HB2 . . 3.740 2.908 2.584 3.809 0.069 13 0 "[ . 1 . 2]" 1
1371 1 77 SER H 1 77 SER QB . . 2.890 2.655 2.534 2.829 . 0 0 "[ . 1 . 2]" 1
1372 1 77 SER H 1 77 SER HB3 . . 3.740 3.427 2.890 3.719 . 0 0 "[ . 1 . 2]" 1
1373 1 77 SER H 1 78 HIS H . . 4.520 4.182 4.083 4.350 . 0 0 "[ . 1 . 2]" 1
1374 1 77 SER H 1 78 HIS HA . . 4.870 4.731 4.633 4.904 0.034 13 0 "[ . 1 . 2]" 1
1375 1 77 SER HA 1 78 HIS H . . 3.080 2.141 2.137 2.154 . 0 0 "[ . 1 . 2]" 1
1376 1 77 SER HA 1 78 HIS HD2 . . 4.870 4.219 4.073 4.414 . 0 0 "[ . 1 . 2]" 1
1377 1 77 SER QB 1 78 HIS H . . 3.770 3.461 3.210 3.753 . 0 0 "[ . 1 . 2]" 1
1378 1 77 SER HB2 1 78 HIS H . . 4.470 4.299 3.309 4.473 0.003 5 0 "[ . 1 . 2]" 1
1379 1 77 SER HB3 1 78 HIS H . . 4.470 3.763 3.446 4.422 . 0 0 "[ . 1 . 2]" 1
1380 1 78 HIS H 1 78 HIS HB2 . . 3.790 2.196 2.170 2.215 . 0 0 "[ . 1 . 2]" 1
1381 1 78 HIS H 1 78 HIS QB . . 3.190 2.174 2.149 2.193 . 0 0 "[ . 1 . 2]" 1
1382 1 78 HIS H 1 78 HIS HB3 . . 3.790 3.501 3.479 3.515 . 0 0 "[ . 1 . 2]" 1
1383 1 78 HIS H 1 78 HIS HD2 . . 3.820 2.882 2.700 3.168 . 0 0 "[ . 1 . 2]" 1
1384 1 78 HIS H 1 79 ILE H . . 4.910 4.611 4.478 4.641 . 0 0 "[ . 1 . 2]" 1
1385 1 78 HIS HA 1 79 ILE H . . 2.840 2.225 2.140 2.276 . 0 0 "[ . 1 . 2]" 1
1386 1 78 HIS HA 1 79 ILE QG . . 5.060 3.584 3.407 3.739 . 0 0 "[ . 1 . 2]" 1
1387 1 78 HIS QB 1 78 HIS HD2 . . 3.440 2.842 2.734 2.956 . 0 0 "[ . 1 . 2]" 1
1388 1 78 HIS QB 1 79 ILE H . . 3.590 2.979 2.810 3.426 . 0 0 "[ . 1 . 2]" 1
1389 1 78 HIS HE1 1 83 PRO QB . . 5.030 3.957 3.514 4.298 . 0 0 "[ . 1 . 2]" 1
1390 1 78 HIS HE1 1 83 PRO HG3 . . 4.380 4.295 3.643 4.387 0.007 20 0 "[ . 1 . 2]" 1
1391 1 79 ILE H 1 79 ILE HB . . 4.090 3.608 3.543 3.669 . 0 0 "[ . 1 . 2]" 1
1392 1 79 ILE H 1 79 ILE MD . . 3.780 3.605 3.520 3.687 . 0 0 "[ . 1 . 2]" 1
1393 1 79 ILE H 1 79 ILE QG . . 2.980 1.888 1.806 2.002 . 0 0 "[ . 1 . 2]" 1
1394 1 79 ILE H 1 79 ILE MG . . 3.130 2.821 2.519 3.092 . 0 0 "[ . 1 . 2]" 1
1395 1 79 ILE H 1 81 GLU H . . 4.630 4.427 4.363 4.513 . 0 0 "[ . 1 . 2]" 1
1396 1 79 ILE H 1 82 SER H . . 4.260 3.954 3.847 4.057 . 0 0 "[ . 1 . 2]" 1
1397 1 79 ILE H 1 82 SER HB2 . . 4.420 3.595 3.433 4.432 0.012 20 0 "[ . 1 . 2]" 1
1398 1 79 ILE H 1 82 SER QB . . 3.830 3.375 3.222 3.556 . 0 0 "[ . 1 . 2]" 1
1399 1 79 ILE H 1 82 SER HB3 . . 4.420 4.325 3.334 4.442 0.022 12 0 "[ . 1 . 2]" 1
1400 1 79 ILE HA 1 79 ILE MG . . 3.470 2.239 2.083 2.319 . 0 0 "[ . 1 . 2]" 1
1401 1 79 ILE HA 1 80 PRO HD2 . . 3.270 2.426 2.381 2.479 . 0 0 "[ . 1 . 2]" 1
1402 1 79 ILE HA 1 80 PRO HD3 . . 3.540 2.310 2.293 2.334 . 0 0 "[ . 1 . 2]" 1
1403 1 79 ILE HA 1 80 PRO HG2 . . 4.700 4.534 4.498 4.577 . 0 0 "[ . 1 . 2]" 1
1404 1 79 ILE HA 1 80 PRO HG3 . . 4.790 4.488 4.462 4.522 . 0 0 "[ . 1 . 2]" 1
1405 1 79 ILE HB 1 79 ILE MD . . 3.170 2.265 2.137 2.416 . 0 0 "[ . 1 . 2]" 1
1406 1 79 ILE HB 1 80 PRO HD2 . . 3.410 1.993 1.978 2.002 . 0 0 "[ . 1 . 2]" 1
1407 1 79 ILE HB 1 80 PRO HD3 . . 3.460 3.443 3.428 3.450 . 0 0 "[ . 1 . 2]" 1
1408 1 79 ILE HB 1 81 GLU H . . 3.490 2.368 2.201 2.506 . 0 0 "[ . 1 . 2]" 1
1409 1 79 ILE HB 1 82 SER H . . 4.080 3.669 3.445 3.899 . 0 0 "[ . 1 . 2]" 1
1410 1 79 ILE MD 1 80 PRO HD2 . . 4.480 3.908 3.800 4.019 . 0 0 "[ . 1 . 2]" 1
1411 1 79 ILE MD 1 80 PRO HD3 . . 5.500 5.224 5.139 5.292 . 0 0 "[ . 1 . 2]" 1
1412 1 79 ILE MD 1 81 GLU H . . 3.970 3.087 2.877 3.280 . 0 0 "[ . 1 . 2]" 1
1413 1 79 ILE MD 1 81 GLU HB2 . . 3.980 2.937 2.074 3.779 . 0 0 "[ . 1 . 2]" 1
1414 1 79 ILE MD 1 81 GLU QB . . 3.260 2.177 1.983 2.363 . 0 0 "[ . 1 . 2]" 1
1415 1 79 ILE MD 1 81 GLU HB3 . . 3.980 2.712 1.995 3.512 . 0 0 "[ . 1 . 2]" 1
1416 1 79 ILE MD 1 81 GLU HG2 . . 4.750 3.753 2.984 4.516 . 0 0 "[ . 1 . 2]" 1
1417 1 79 ILE MD 1 81 GLU QG . . 4.020 3.314 2.721 3.829 . 0 0 "[ . 1 . 2]" 1
1418 1 79 ILE MD 1 81 GLU HG3 . . 4.750 3.838 2.930 4.696 . 0 0 "[ . 1 . 2]" 1
1419 1 79 ILE MD 1 82 SER H . . 3.820 3.215 2.825 3.545 . 0 0 "[ . 1 . 2]" 1
1420 1 79 ILE MD 1 82 SER HB2 . . 4.370 2.300 1.999 2.618 . 0 0 "[ . 1 . 2]" 1
1421 1 79 ILE MD 1 82 SER QB . . 3.610 2.278 1.988 2.585 . 0 0 "[ . 1 . 2]" 1
1422 1 79 ILE MD 1 82 SER HB3 . . 4.370 3.716 3.075 4.024 . 0 0 "[ . 1 . 2]" 1
1423 1 79 ILE MD 1 82 SER HG . . 4.730 3.159 2.205 4.100 . 0 0 "[ . 1 . 2]" 1
1424 1 79 ILE QG 1 81 GLU H . . 3.590 2.648 2.267 3.048 . 0 0 "[ . 1 . 2]" 1
1425 1 79 ILE QG 1 81 GLU HB2 . . 4.980 4.060 3.073 5.000 0.020 20 0 "[ . 1 . 2]" 1
1426 1 79 ILE QG 1 81 GLU QB . . 4.140 3.257 3.003 3.562 . 0 0 "[ . 1 . 2]" 1
1427 1 79 ILE QG 1 81 GLU HB3 . . 4.980 3.875 3.052 4.808 . 0 0 "[ . 1 . 2]" 1
1428 1 79 ILE QG 1 82 SER H . . 3.210 2.163 1.890 2.507 . 0 0 "[ . 1 . 2]" 1
1429 1 79 ILE QG 1 82 SER HA . . 4.700 4.141 3.924 4.436 . 0 0 "[ . 1 . 2]" 1
1430 1 79 ILE QG 1 82 SER HB2 . . 4.020 1.987 1.873 2.492 . 0 0 "[ . 1 . 2]" 1
1431 1 79 ILE QG 1 82 SER QB . . 3.370 1.949 1.862 2.201 . 0 0 "[ . 1 . 2]" 1
1432 1 79 ILE QG 1 82 SER HB3 . . 4.020 3.271 2.323 3.487 . 0 0 "[ . 1 . 2]" 1
1433 1 79 ILE MG 1 80 PRO HD2 . . 4.150 2.676 2.381 2.987 . 0 0 "[ . 1 . 2]" 1
1434 1 79 ILE MG 1 80 PRO HD3 . . 4.090 3.504 3.193 3.726 . 0 0 "[ . 1 . 2]" 1
1435 1 80 PRO HA 1 81 GLU H . . 3.350 3.309 3.287 3.362 0.012 7 0 "[ . 1 . 2]" 1
1436 1 80 PRO HA 1 81 GLU HA . . 4.820 4.574 4.534 4.617 . 0 0 "[ . 1 . 2]" 1
1437 1 80 PRO HA 1 82 SER H . . 3.990 3.942 3.816 4.010 0.020 20 0 "[ . 1 . 2]" 1
1438 1 80 PRO QB 1 81 GLU H . . 3.840 3.706 3.630 3.736 . 0 0 "[ . 1 . 2]" 1
1439 1 80 PRO HD2 1 81 GLU H . . 4.880 3.005 2.891 3.056 . 0 0 "[ . 1 . 2]" 1
1440 1 80 PRO HD3 1 81 GLU H . . 4.170 4.032 3.972 4.058 . 0 0 "[ . 1 . 2]" 1
1441 1 80 PRO HG2 1 81 GLU H . . 3.830 3.313 3.136 3.386 . 0 0 "[ . 1 . 2]" 1
1442 1 80 PRO HG3 1 81 GLU H . . 5.040 4.592 4.457 4.648 . 0 0 "[ . 1 . 2]" 1
1443 1 81 GLU H 1 81 GLU HB2 . . 3.680 2.722 2.315 3.158 . 0 0 "[ . 1 . 2]" 1
1444 1 81 GLU H 1 81 GLU QB . . 3.140 2.339 2.287 2.501 . 0 0 "[ . 1 . 2]" 1
1445 1 81 GLU H 1 81 GLU HB3 . . 3.680 3.005 2.367 3.706 0.026 3 0 "[ . 1 . 2]" 1
1446 1 81 GLU H 1 81 GLU HG2 . . 4.710 3.993 2.726 4.694 . 0 0 "[ . 1 . 2]" 1
1447 1 81 GLU H 1 81 GLU QG . . 3.910 3.577 2.678 3.952 0.042 12 0 "[ . 1 . 2]" 1
1448 1 81 GLU H 1 81 GLU HG3 . . 4.710 4.232 3.921 4.574 . 0 0 "[ . 1 . 2]" 1
1449 1 81 GLU H 1 82 SER H . . 3.340 2.067 1.987 2.154 . 0 0 "[ . 1 . 2]" 1
1450 1 81 GLU HA 1 81 GLU HG2 . . 3.920 3.330 2.426 3.874 . 0 0 "[ . 1 . 2]" 1
1451 1 81 GLU HA 1 81 GLU QG . . 3.290 2.738 2.196 3.085 . 0 0 "[ . 1 . 2]" 1
1452 1 81 GLU HA 1 81 GLU HG3 . . 3.920 3.208 2.219 3.787 . 0 0 "[ . 1 . 2]" 1
1453 1 81 GLU QB 1 82 SER H . . 3.800 3.193 3.103 3.347 . 0 0 "[ . 1 . 2]" 1
1454 1 81 GLU QB 1 84 LEU MD2 . . 4.080 3.676 3.073 4.083 0.003 16 0 "[ . 1 . 2]" 1
1455 1 81 GLU HB2 1 82 SER H . . 4.520 3.848 3.265 4.394 . 0 0 "[ . 1 . 2]" 1
1456 1 81 GLU HB3 1 82 SER H . . 4.520 3.624 3.189 4.186 . 0 0 "[ . 1 . 2]" 1
1457 1 82 SER H 1 82 SER HB2 . . 3.620 2.595 2.500 2.913 . 0 0 "[ . 1 . 2]" 1
1458 1 82 SER H 1 82 SER QB . . 3.000 2.526 2.456 2.655 . 0 0 "[ . 1 . 2]" 1
1459 1 82 SER H 1 82 SER HB3 . . 3.620 3.569 3.030 3.651 0.031 9 0 "[ . 1 . 2]" 1
1460 1 82 SER H 1 82 SER HG . . 4.930 4.150 3.623 4.799 . 0 0 "[ . 1 . 2]" 1
1461 1 82 SER H 1 83 PRO HA . . 4.860 4.750 4.741 4.796 . 0 0 "[ . 1 . 2]" 1
1462 1 82 SER HA 1 83 PRO HA . . 3.170 2.472 2.219 2.509 . 0 0 "[ . 1 . 2]" 1
1463 1 82 SER HA 1 83 PRO HB2 . . 4.660 4.454 4.310 4.476 . 0 0 "[ . 1 . 2]" 1
1464 1 82 SER HA 1 83 PRO HB3 . . 4.660 4.562 4.357 4.593 . 0 0 "[ . 1 . 2]" 1
1465 1 82 SER HA 1 83 PRO HD2 . . 4.900 4.404 4.402 4.415 . 0 0 "[ . 1 . 2]" 1
1466 1 82 SER HA 1 83 PRO QD . . 4.230 4.027 3.999 4.031 . 0 0 "[ . 1 . 2]" 1
1467 1 82 SER HA 1 83 PRO HD3 . . 4.900 4.662 4.571 4.677 . 0 0 "[ . 1 . 2]" 1
1468 1 82 SER HA 1 84 LEU H . . 3.510 3.240 3.013 3.484 . 0 0 "[ . 1 . 2]" 1
1469 1 82 SER HA 1 84 LEU MD2 . . 4.410 3.371 3.126 3.565 . 0 0 "[ . 1 . 2]" 1
1470 1 82 SER HA 1 84 LEU HG . . 4.920 3.687 3.355 3.904 . 0 0 "[ . 1 . 2]" 1
1471 1 82 SER QB 1 83 PRO HA . . 4.190 2.097 1.973 3.202 . 0 0 "[ . 1 . 2]" 1
1472 1 82 SER HB2 1 83 PRO HA . . 5.000 3.569 3.535 3.807 . 0 0 "[ . 1 . 2]" 1
1473 1 82 SER HB3 1 83 PRO HA . . 5.000 2.130 1.983 3.445 . 0 0 "[ . 1 . 2]" 1
1474 1 82 SER HG 1 83 PRO HA . . 4.600 3.074 2.213 3.719 . 0 0 "[ . 1 . 2]" 1
1475 1 83 PRO HA 1 84 LEU H . . 2.710 2.330 2.243 2.476 . 0 0 "[ . 1 . 2]" 1
1476 1 83 PRO HA 1 84 LEU HA . . 4.520 4.453 4.414 4.505 . 0 0 "[ . 1 . 2]" 1
1477 1 83 PRO HA 1 84 LEU HB3 . . 4.800 4.498 4.406 4.676 . 0 0 "[ . 1 . 2]" 1
1478 1 83 PRO HA 1 84 LEU HG . . 4.610 3.679 3.421 3.839 . 0 0 "[ . 1 . 2]" 1
1479 1 83 PRO HB2 1 84 LEU H . . 3.790 2.815 2.431 3.072 . 0 0 "[ . 1 . 2]" 1
1480 1 83 PRO HB3 1 84 LEU H . . 3.790 3.565 3.364 3.708 . 0 0 "[ . 1 . 2]" 1
1481 1 84 LEU H 1 84 LEU HB2 . . 3.880 3.788 3.680 3.856 . 0 0 "[ . 1 . 2]" 1
1482 1 84 LEU H 1 84 LEU HB3 . . 3.460 3.281 3.156 3.464 0.004 15 0 "[ . 1 . 2]" 1
1483 1 84 LEU H 1 84 LEU MD1 . . 4.060 3.260 2.978 3.467 . 0 0 "[ . 1 . 2]" 1
1484 1 84 LEU H 1 84 LEU MD2 . . 4.490 3.631 3.494 3.770 . 0 0 "[ . 1 . 2]" 1
1485 1 84 LEU H 1 84 LEU HG . . 3.390 2.104 1.920 2.250 . 0 0 "[ . 1 . 2]" 1
1486 1 84 LEU H 1 85 GLN H . . 4.740 4.451 4.417 4.482 . 0 0 "[ . 1 . 2]" 1
1487 1 84 LEU HA 1 84 LEU MD1 . . 4.110 3.670 3.583 3.748 . 0 0 "[ . 1 . 2]" 1
1488 1 84 LEU HA 1 84 LEU MD2 . . 4.050 4.007 3.953 4.044 . 0 0 "[ . 1 . 2]" 1
1489 1 84 LEU HA 1 85 GLN H . . 2.760 2.418 2.384 2.458 . 0 0 "[ . 1 . 2]" 1
1490 1 84 LEU HA 1 85 GLN HA . . 4.850 4.454 4.424 4.474 . 0 0 "[ . 1 . 2]" 1
1491 1 84 LEU HA 1 85 GLN QB . . 4.690 4.150 4.085 4.230 . 0 0 "[ . 1 . 2]" 1
1492 1 84 LEU HB2 1 84 LEU MD2 . . 3.480 2.669 2.619 2.706 . 0 0 "[ . 1 . 2]" 1
1493 1 84 LEU HB2 1 85 GLN H . . 4.200 2.380 2.295 2.458 . 0 0 "[ . 1 . 2]" 1
1494 1 84 LEU HB3 1 85 GLN H . . 3.780 3.671 3.516 3.744 . 0 0 "[ . 1 . 2]" 1
1495 1 84 LEU MD1 1 85 GLN H . . 4.020 3.093 2.868 3.273 . 0 0 "[ . 1 . 2]" 1
1496 1 84 LEU MD1 1 86 PHE QB . . 4.310 3.217 2.948 3.421 . 0 0 "[ . 1 . 2]" 1
1497 1 84 LEU MD1 1 86 PHE QD . . 3.940 1.910 1.832 2.086 . 0 0 "[ . 1 . 2]" 1
1498 1 84 LEU MD2 1 85 GLN H . . 4.640 4.617 4.545 4.641 0.001 3 0 "[ . 1 . 2]" 1
1499 1 84 LEU MD2 1 86 PHE QD . . 4.390 4.250 4.087 4.384 . 0 0 "[ . 1 . 2]" 1
1500 1 85 GLN H 1 85 GLN HB2 . . 3.870 2.968 2.486 3.866 . 0 0 "[ . 1 . 2]" 1
1501 1 85 GLN H 1 85 GLN QB . . 3.000 2.670 2.447 2.989 . 0 0 "[ . 1 . 2]" 1
1502 1 85 GLN H 1 85 GLN HB3 . . 3.870 3.528 3.061 3.810 . 0 0 "[ . 1 . 2]" 1
1503 1 85 GLN H 1 85 GLN QG . . 3.450 3.028 2.230 3.449 . 0 0 "[ . 1 . 2]" 1
1504 1 85 GLN H 1 86 PHE H . . 4.390 4.345 4.260 4.395 0.005 12 0 "[ . 1 . 2]" 1
1505 1 85 GLN HA 1 85 GLN HG2 . . 3.910 2.816 2.234 3.830 . 0 0 "[ . 1 . 2]" 1
1506 1 85 GLN HA 1 85 GLN QG . . 3.380 2.599 2.188 3.338 . 0 0 "[ . 1 . 2]" 1
1507 1 85 GLN HA 1 85 GLN HG3 . . 3.910 3.175 2.558 3.836 . 0 0 "[ . 1 . 2]" 1
1508 1 85 GLN HA 1 86 PHE H . . 2.730 2.179 2.151 2.218 . 0 0 "[ . 1 . 2]" 1
1509 1 85 GLN HA 1 86 PHE HA . . 5.200 4.420 4.401 4.438 . 0 0 "[ . 1 . 2]" 1
1510 1 85 GLN HA 1 86 PHE QD . . 4.460 3.193 2.954 3.485 . 0 0 "[ . 1 . 2]" 1
1511 1 85 GLN QB 1 85 GLN QE . . 3.670 3.092 1.969 3.565 . 0 0 "[ . 1 . 2]" 1
1512 1 85 GLN QB 1 86 PHE H . . 3.310 3.072 2.907 3.223 . 0 0 "[ . 1 . 2]" 1
1513 1 85 GLN QB 1 86 PHE HA . . 4.880 4.138 3.965 4.466 . 0 0 "[ . 1 . 2]" 1
1514 1 85 GLN HB2 1 85 GLN HE22 . . 4.990 4.392 3.765 4.912 . 0 0 "[ . 1 . 2]" 1
1515 1 85 GLN HB3 1 85 GLN HE22 . . 4.990 4.304 3.448 4.715 . 0 0 "[ . 1 . 2]" 1
1516 1 85 GLN QE 1 85 GLN QG . . 3.020 2.240 2.076 2.643 . 0 0 "[ . 1 . 2]" 1
1517 1 85 GLN QG 1 86 PHE H . . 3.990 3.813 3.666 3.938 . 0 0 "[ . 1 . 2]" 1
1518 1 86 PHE H 1 86 PHE QB . . 3.870 3.175 3.121 3.229 . 0 0 "[ . 1 . 2]" 1
1519 1 86 PHE H 1 86 PHE QD . . 3.450 2.718 2.476 2.926 . 0 0 "[ . 1 . 2]" 1
1520 1 86 PHE H 1 87 TYR H . . 5.040 4.119 4.033 4.294 . 0 0 "[ . 1 . 2]" 1
1521 1 86 PHE H 1 87 TYR HA . . 5.110 4.603 4.499 4.706 . 0 0 "[ . 1 . 2]" 1
1522 1 86 PHE HA 1 86 PHE QD . . 4.350 3.692 3.647 3.717 . 0 0 "[ . 1 . 2]" 1
1523 1 86 PHE HA 1 87 TYR H . . 3.250 2.141 2.138 2.169 . 0 0 "[ . 1 . 2]" 1
1524 1 86 PHE HA 1 87 TYR QB . . 4.640 4.052 4.013 4.063 . 0 0 "[ . 1 . 2]" 1
1525 1 86 PHE QB 1 87 TYR H . . 3.750 3.327 3.078 3.367 . 0 0 "[ . 1 . 2]" 1
1526 1 86 PHE QD 1 87 TYR H . . 4.860 4.553 4.345 4.688 . 0 0 "[ . 1 . 2]" 1
1527 1 86 PHE QD 1 88 VAL MG2 . . 3.560 2.664 2.336 2.997 . 0 0 "[ . 1 . 2]" 1
1528 1 86 PHE QE 1 88 VAL MG2 . . 3.470 3.146 2.942 3.438 . 0 0 "[ . 1 . 2]" 1
1529 1 86 PHE HZ 1 88 VAL MG2 . . 5.370 5.051 4.875 5.256 . 0 0 "[ . 1 . 2]" 1
1530 1 87 TYR H 1 87 TYR HB2 . . 3.870 2.384 2.320 2.490 . 0 0 "[ . 1 . 2]" 1
1531 1 87 TYR H 1 87 TYR QB . . 3.290 2.259 2.222 2.324 . 0 0 "[ . 1 . 2]" 1
1532 1 87 TYR H 1 87 TYR HB3 . . 3.870 2.803 2.770 2.843 . 0 0 "[ . 1 . 2]" 1
1533 1 87 TYR H 1 87 TYR QD . . 4.540 4.111 4.046 4.197 . 0 0 "[ . 1 . 2]" 1
1534 1 87 TYR H 1 88 VAL H . . 5.210 4.559 4.480 4.592 . 0 0 "[ . 1 . 2]" 1
1535 1 87 TYR HA 1 87 TYR QD . . 3.860 2.410 2.028 2.727 . 0 0 "[ . 1 . 2]" 1
1536 1 87 TYR HA 1 87 TYR QE . . 4.820 4.329 4.171 4.456 . 0 0 "[ . 1 . 2]" 1
1537 1 87 TYR HA 1 88 VAL H . . 3.140 2.189 2.142 2.226 . 0 0 "[ . 1 . 2]" 1
1538 1 87 TYR HA 1 88 VAL HB . . 4.810 4.593 4.490 4.661 . 0 0 "[ . 1 . 2]" 1
1539 1 87 TYR HA 1 88 VAL MG2 . . 4.880 3.650 3.493 3.822 . 0 0 "[ . 1 . 2]" 1
1540 1 87 TYR QB 1 88 VAL H . . 4.130 3.564 3.458 3.737 . 0 0 "[ . 1 . 2]" 1
1541 1 87 TYR HB2 1 88 VAL H . . 4.730 4.296 4.222 4.414 . 0 0 "[ . 1 . 2]" 1
1542 1 87 TYR HB3 1 88 VAL H . . 4.730 3.808 3.667 4.034 . 0 0 "[ . 1 . 2]" 1
1543 1 87 TYR QD 1 88 VAL H . . 4.570 3.451 3.198 3.747 . 0 0 "[ . 1 . 2]" 1
1544 1 87 TYR QD 1 89 ASN H . . 4.910 4.535 3.738 4.905 . 0 0 "[ . 1 . 2]" 1
1545 1 88 VAL H 1 88 VAL HB . . 3.570 2.547 2.389 2.636 . 0 0 "[ . 1 . 2]" 1
1546 1 88 VAL H 1 88 VAL MG1 . . 4.400 3.808 3.728 3.844 . 0 0 "[ . 1 . 2]" 1
1547 1 88 VAL H 1 88 VAL MG2 . . 3.850 2.672 2.330 2.959 . 0 0 "[ . 1 . 2]" 1
1548 1 88 VAL HA 1 89 ASN H . . 2.920 2.162 2.141 2.213 . 0 0 "[ . 1 . 2]" 1
1549 1 88 VAL MG1 1 89 ASN H . . 4.100 2.961 2.626 3.296 . 0 0 "[ . 1 . 2]" 1
1550 1 89 ASN H 1 89 ASN HB2 . . 4.030 2.528 2.242 3.603 . 0 0 "[ . 1 . 2]" 1
1551 1 89 ASN H 1 89 ASN QB . . 3.440 2.397 2.219 2.734 . 0 0 "[ . 1 . 2]" 1
1552 1 89 ASN H 1 89 ASN HB3 . . 4.030 3.375 2.562 3.685 . 0 0 "[ . 1 . 2]" 1
1553 1 89 ASN HA 1 90 TYR H . . 3.250 2.321 2.169 2.458 . 0 0 "[ . 1 . 2]" 1
1554 1 89 ASN QB 1 90 TYR H . . 3.510 2.794 2.325 3.278 . 0 0 "[ . 1 . 2]" 1
1555 1 89 ASN HB2 1 90 TYR H . . 4.240 3.815 2.618 4.153 . 0 0 "[ . 1 . 2]" 1
1556 1 89 ASN HB3 1 90 TYR H . . 4.240 2.944 2.359 3.787 . 0 0 "[ . 1 . 2]" 1
1557 1 90 TYR H 1 90 TYR HB2 . . 4.070 2.619 2.185 3.321 . 0 0 "[ . 1 . 2]" 1
1558 1 90 TYR H 1 90 TYR QB . . 3.350 2.213 2.129 2.433 . 0 0 "[ . 1 . 2]" 1
1559 1 90 TYR H 1 90 TYR HB3 . . 4.070 2.665 2.178 3.588 . 0 0 "[ . 1 . 2]" 1
1560 1 90 TYR H 1 90 TYR QD . . 4.070 3.885 2.796 4.073 0.003 13 0 "[ . 1 . 2]" 1
1561 1 90 TYR HA 1 90 TYR QD . . 3.680 2.838 2.166 3.209 . 0 0 "[ . 1 . 2]" 1
1562 1 90 TYR HA 1 90 TYR QE . . 5.190 4.635 4.207 5.031 . 0 0 "[ . 1 . 2]" 1
1563 1 90 TYR HA 1 91 PRO HD2 . . 3.610 2.216 2.168 2.381 . 0 0 "[ . 1 . 2]" 1
1564 1 90 TYR HA 1 91 PRO HD3 . . 3.280 2.254 2.250 2.290 . 0 0 "[ . 1 . 2]" 1
1565 1 90 TYR HA 1 91 PRO QG . . 4.590 3.893 3.866 3.989 . 0 0 "[ . 1 . 2]" 1
1566 1 90 TYR QB 1 91 PRO HD2 . . 3.860 3.152 2.026 3.384 . 0 0 "[ . 1 . 2]" 1
1567 1 90 TYR QB 1 91 PRO HD3 . . 4.350 4.072 3.394 4.226 . 0 0 "[ . 1 . 2]" 1
1568 1 90 TYR HB2 1 91 PRO HD2 . . 4.520 3.592 3.097 3.904 . 0 0 "[ . 1 . 2]" 1
1569 1 90 TYR HB2 1 91 PRO HD3 . . 5.020 4.542 4.154 4.781 . 0 0 "[ . 1 . 2]" 1
1570 1 90 TYR HB3 1 91 PRO HD2 . . 4.520 3.695 2.037 4.124 . 0 0 "[ . 1 . 2]" 1
1571 1 90 TYR HB3 1 91 PRO HD3 . . 5.020 4.710 3.483 4.993 . 0 0 "[ . 1 . 2]" 1
1572 1 90 TYR QD 1 91 PRO HD2 . . 4.360 2.533 2.026 2.842 . 0 0 "[ . 1 . 2]" 1
1573 1 90 TYR QD 1 91 PRO HD3 . . 4.460 3.773 3.353 3.957 . 0 0 "[ . 1 . 2]" 1
stop_
save_