NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
420148 |
2eec   |
10162 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2eec
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 1296
_Distance_constraint_stats_list.Viol_count 152
_Distance_constraint_stats_list.Viol_total 35.829
_Distance_constraint_stats_list.Viol_max 0.154
_Distance_constraint_stats_list.Viol_rms 0.0021
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0118
_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 9 LYS 0.010 0.010 4 0 "[ . 1 . 2]"
1 10 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ARG 0.074 0.044 9 0 "[ . 1 . 2]"
1 12 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLY 0.055 0.053 16 0 "[ . 1 . 2]"
1 14 GLU 0.063 0.053 16 0 "[ . 1 . 2]"
1 15 PRO 0.007 0.005 9 0 "[ . 1 . 2]"
1 17 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASN 0.072 0.047 2 0 "[ . 1 . 2]"
1 21 PRO 0.009 0.004 14 0 "[ . 1 . 2]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LEU 0.024 0.011 14 0 "[ . 1 . 2]"
1 24 VAL 0.000 0.000 9 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 5 0 "[ . 1 . 2]"
1 31 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLU 0.005 0.005 11 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.020 0.010 16 0 "[ . 1 . 2]"
1 35 THR 0.012 0.005 13 0 "[ . 1 . 2]"
1 36 THR 0.030 0.010 16 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ILE 0.192 0.023 9 0 "[ . 1 . 2]"
1 39 GLN 0.079 0.017 17 0 "[ . 1 . 2]"
1 40 SER 0.003 0.003 2 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 5 0 "[ . 1 . 2]"
1 42 PHE 0.001 0.001 12 0 "[ . 1 . 2]"
1 43 PHE 0.000 0.000 18 0 "[ . 1 . 2]"
1 44 ILE 0.000 0.000 18 0 "[ . 1 . 2]"
1 45 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 THR 0.003 0.003 11 0 "[ . 1 . 2]"
1 48 ARG 0.615 0.154 11 0 "[ . 1 . 2]"
1 49 ALA 0.002 0.002 6 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 VAL 0.001 0.001 9 0 "[ . 1 . 2]"
1 57 THR 0.001 0.001 9 0 "[ . 1 . 2]"
1 58 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLU 0.050 0.031 16 0 "[ . 1 . 2]"
1 60 GLY 0.023 0.021 16 0 "[ . 1 . 2]"
1 61 PRO 0.023 0.021 16 0 "[ . 1 . 2]"
1 62 SER 0.036 0.018 16 0 "[ . 1 . 2]"
1 63 LYS 0.052 0.041 16 0 "[ . 1 . 2]"
1 64 VAL 0.084 0.041 16 0 "[ . 1 . 2]"
1 65 LYS 0.013 0.011 17 0 "[ . 1 . 2]"
1 66 MET 0.011 0.006 11 0 "[ . 1 . 2]"
1 67 ASP 0.000 0.000 16 0 "[ . 1 . 2]"
1 68 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.001 0.001 19 0 "[ . 1 . 2]"
1 78 MET 0.002 0.001 3 0 "[ . 1 . 2]"
1 79 TYR 0.032 0.007 20 0 "[ . 1 . 2]"
1 80 THR 0.001 0.001 14 0 "[ . 1 . 2]"
1 81 PRO 0.020 0.007 20 0 "[ . 1 . 2]"
1 82 MET 0.004 0.004 7 0 "[ . 1 . 2]"
1 83 ALA 0.009 0.004 16 0 "[ . 1 . 2]"
1 84 PRO 0.061 0.015 3 0 "[ . 1 . 2]"
1 85 GLY 0.060 0.015 3 0 "[ . 1 . 2]"
1 86 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 TYR 0.031 0.008 15 0 "[ . 1 . 2]"
1 88 LEU 0.043 0.031 16 0 "[ . 1 . 2]"
1 89 ILE 0.017 0.013 16 0 "[ . 1 . 2]"
1 90 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LYS 0.051 0.047 5 0 "[ . 1 . 2]"
1 93 TYR 0.003 0.003 16 0 "[ . 1 . 2]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 PRO 0.003 0.003 19 0 "[ . 1 . 2]"
1 97 ASN 0.003 0.001 13 0 "[ . 1 . 2]"
1 98 HIS 0.050 0.047 5 0 "[ . 1 . 2]"
1 99 ILE 0.002 0.001 8 0 "[ . 1 . 2]"
1 100 VAL 0.010 0.009 17 0 "[ . 1 . 2]"
1 101 GLY 0.009 0.009 17 0 "[ . 1 . 2]"
1 102 SER 0.013 0.011 12 0 "[ . 1 . 2]"
1 103 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 PHE 0.000 0.000 10 0 "[ . 1 . 2]"
1 105 LYS 0.032 0.010 1 0 "[ . 1 . 2]"
1 106 ALA 0.017 0.008 19 0 "[ . 1 . 2]"
1 107 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 VAL 0.006 0.005 13 0 "[ . 1 . 2]"
1 109 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 GLY 0.094 0.064 8 0 "[ . 1 . 2]"
1 111 GLN 0.299 0.064 8 0 "[ . 1 . 2]"
1 112 ARG 0.000 0.000 17 0 "[ . 1 . 2]"
1 113 LEU 0.003 0.003 17 0 "[ . 1 . 2]"
1 119 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 ASN 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 9 LYS H 1 9 LYS QG . . 3.850 2.840 1.947 3.860 0.010 4 0 "[ . 1 . 2]" 1
2 1 10 VAL HA 1 11 ARG HA . . 4.780 4.364 4.314 4.393 . 0 0 "[ . 1 . 2]" 1
3 1 10 VAL HB 1 11 ARG H . . 4.410 3.883 2.962 4.294 . 0 0 "[ . 1 . 2]" 1
4 1 11 ARG H 1 11 ARG HB2 . . 4.060 2.647 2.179 3.712 . 0 0 "[ . 1 . 2]" 1
5 1 11 ARG H 1 11 ARG QB . . 3.470 2.375 2.158 2.884 . 0 0 "[ . 1 . 2]" 1
6 1 11 ARG H 1 11 ARG HB3 . . 4.060 3.265 2.355 3.669 . 0 0 "[ . 1 . 2]" 1
7 1 11 ARG H 1 11 ARG QG . . 4.630 3.066 1.891 4.083 . 0 0 "[ . 1 . 2]" 1
8 1 11 ARG HA 1 11 ARG QD . . 4.120 3.463 2.075 4.164 0.044 9 0 "[ . 1 . 2]" 1
9 1 11 ARG HA 1 11 ARG QG . . 3.970 2.592 2.181 3.423 . 0 0 "[ . 1 . 2]" 1
10 1 12 VAL QG 1 13 GLY H . . 4.640 2.776 1.878 3.432 . 0 0 "[ . 1 . 2]" 1
11 1 13 GLY H 1 14 GLU H . . 5.050 3.905 1.777 4.634 . 0 0 "[ . 1 . 2]" 1
12 1 13 GLY QA 1 14 GLU H . . 3.020 2.267 2.109 2.881 . 0 0 "[ . 1 . 2]" 1
13 1 13 GLY HA2 1 14 GLU H . . 3.450 2.612 2.141 3.503 0.053 16 0 "[ . 1 . 2]" 1
14 1 13 GLY HA3 1 14 GLU H . . 3.450 2.854 2.137 3.418 . 0 0 "[ . 1 . 2]" 1
15 1 14 GLU H 1 14 GLU HB2 . . 3.850 2.850 2.182 3.817 . 0 0 "[ . 1 . 2]" 1
16 1 14 GLU H 1 14 GLU QB . . 3.270 2.396 2.161 2.753 . 0 0 "[ . 1 . 2]" 1
17 1 14 GLU H 1 14 GLU HB3 . . 3.850 3.206 2.196 3.749 . 0 0 "[ . 1 . 2]" 1
18 1 14 GLU H 1 14 GLU QG . . 3.810 2.857 2.113 3.514 . 0 0 "[ . 1 . 2]" 1
19 1 14 GLU HA 1 14 GLU QG . . 3.900 2.739 2.173 3.428 . 0 0 "[ . 1 . 2]" 1
20 1 14 GLU HA 1 15 PRO HD2 . . 3.260 2.412 2.360 2.516 . 0 0 "[ . 1 . 2]" 1
21 1 14 GLU HA 1 15 PRO HD3 . . 3.080 2.303 2.283 2.350 . 0 0 "[ . 1 . 2]" 1
22 1 14 GLU QB 1 15 PRO HD2 . . 3.080 2.003 1.990 2.038 . 0 0 "[ . 1 . 2]" 1
23 1 14 GLU QB 1 15 PRO HD3 . . 3.370 3.350 3.281 3.375 0.005 9 0 "[ . 1 . 2]" 1
24 1 14 GLU QG 1 15 PRO HD2 . . 4.090 3.164 2.481 3.659 . 0 0 "[ . 1 . 2]" 1
25 1 14 GLU QG 1 15 PRO HD3 . . 4.530 4.053 3.220 4.532 0.002 13 0 "[ . 1 . 2]" 1
26 1 17 GLN HA 1 17 GLN QG . . 3.850 2.850 2.189 3.488 . 0 0 "[ . 1 . 2]" 1
27 1 17 GLN HA 1 18 ALA H . . 3.330 2.314 2.139 3.236 . 0 0 "[ . 1 . 2]" 1
28 1 17 GLN QB 1 17 GLN QE . . 3.770 3.191 2.023 3.709 . 0 0 "[ . 1 . 2]" 1
29 1 17 GLN QB 1 18 ALA H . . 4.340 3.250 2.197 3.972 . 0 0 "[ . 1 . 2]" 1
30 1 18 ALA H 1 18 ALA MB . . 3.650 2.403 2.060 2.871 . 0 0 "[ . 1 . 2]" 1
31 1 18 ALA H 1 19 GLY H . . 4.980 4.121 2.686 4.597 . 0 0 "[ . 1 . 2]" 1
32 1 18 ALA HA 1 19 GLY H . . 2.990 2.330 2.147 2.800 . 0 0 "[ . 1 . 2]" 1
33 1 18 ALA HA 1 19 GLY QA . . 5.020 3.960 3.893 4.108 . 0 0 "[ . 1 . 2]" 1
34 1 18 ALA MB 1 19 GLY H . . 3.720 3.113 2.141 3.701 . 0 0 "[ . 1 . 2]" 1
35 1 19 GLY H 1 20 ASN H . . 4.680 3.628 2.294 4.647 . 0 0 "[ . 1 . 2]" 1
36 1 20 ASN H 1 20 ASN HB2 . . 3.600 3.116 2.722 3.567 . 0 0 "[ . 1 . 2]" 1
37 1 20 ASN H 1 20 ASN HB3 . . 3.600 2.680 2.378 2.976 . 0 0 "[ . 1 . 2]" 1
38 1 20 ASN H 1 21 PRO HA . . 5.390 4.994 4.705 5.386 . 0 0 "[ . 1 . 2]" 1
39 1 20 ASN H 1 49 ALA HA . . 5.500 3.557 2.728 4.691 . 0 0 "[ . 1 . 2]" 1
40 1 20 ASN H 1 49 ALA MB . . 4.080 3.287 2.585 4.082 0.002 6 0 "[ . 1 . 2]" 1
41 1 20 ASN HA 1 20 ASN QD . . 4.430 4.035 3.828 4.208 . 0 0 "[ . 1 . 2]" 1
42 1 20 ASN HA 1 20 ASN HD22 . . 5.040 4.713 4.488 5.043 0.003 2 0 "[ . 1 . 2]" 1
43 1 20 ASN HA 1 21 PRO HD2 . . 3.300 1.997 1.913 2.109 . 0 0 "[ . 1 . 2]" 1
44 1 20 ASN HA 1 21 PRO HD3 . . 3.300 2.333 2.258 2.472 . 0 0 "[ . 1 . 2]" 1
45 1 20 ASN HA 1 21 PRO HG2 . . 4.720 4.190 4.119 4.279 . 0 0 "[ . 1 . 2]" 1
46 1 20 ASN HA 1 21 PRO QG . . 4.120 3.791 3.767 3.837 . 0 0 "[ . 1 . 2]" 1
47 1 20 ASN HA 1 21 PRO HG3 . . 4.720 4.329 4.315 4.369 . 0 0 "[ . 1 . 2]" 1
48 1 20 ASN HA 1 22 ALA H . . 4.430 3.872 3.488 4.298 . 0 0 "[ . 1 . 2]" 1
49 1 20 ASN QB 1 20 ASN QD . . 2.980 2.188 2.080 2.309 . 0 0 "[ . 1 . 2]" 1
50 1 20 ASN QB 1 21 PRO QD . . 4.200 3.426 2.974 3.693 . 0 0 "[ . 1 . 2]" 1
51 1 20 ASN QB 1 22 ALA MB . . 5.130 4.061 2.862 4.435 . 0 0 "[ . 1 . 2]" 1
52 1 20 ASN QB 1 23 LEU H . . 4.070 3.297 2.798 3.670 . 0 0 "[ . 1 . 2]" 1
53 1 20 ASN QB 1 23 LEU MD1 . . 3.510 2.172 1.929 3.459 . 0 0 "[ . 1 . 2]" 1
54 1 20 ASN QB 1 23 LEU HG . . 3.910 3.037 2.326 3.412 . 0 0 "[ . 1 . 2]" 1
55 1 20 ASN HB2 1 20 ASN HD22 . . 4.040 3.668 3.500 3.863 . 0 0 "[ . 1 . 2]" 1
56 1 20 ASN HB2 1 23 LEU H . . 4.790 4.548 3.042 4.787 . 0 0 "[ . 1 . 2]" 1
57 1 20 ASN HB2 1 23 LEU MD1 . . 4.130 3.314 2.626 3.956 . 0 0 "[ . 1 . 2]" 1
58 1 20 ASN HB2 1 23 LEU HG . . 4.780 4.269 3.218 4.716 . 0 0 "[ . 1 . 2]" 1
59 1 20 ASN HB3 1 20 ASN HD22 . . 4.040 3.585 3.445 4.087 0.047 2 0 "[ . 1 . 2]" 1
60 1 20 ASN HB3 1 23 LEU H . . 4.790 3.467 2.826 4.734 . 0 0 "[ . 1 . 2]" 1
61 1 20 ASN HB3 1 23 LEU MD1 . . 4.130 2.231 1.950 4.133 0.003 2 0 "[ . 1 . 2]" 1
62 1 20 ASN HB3 1 23 LEU HG . . 4.780 3.168 2.366 4.481 . 0 0 "[ . 1 . 2]" 1
63 1 20 ASN QD 1 22 ALA H . . 4.520 3.707 3.286 4.188 . 0 0 "[ . 1 . 2]" 1
64 1 20 ASN QD 1 22 ALA MB . . 3.710 2.374 1.846 3.670 . 0 0 "[ . 1 . 2]" 1
65 1 20 ASN QD 1 23 LEU H . . 3.460 2.886 2.120 3.461 0.001 18 0 "[ . 1 . 2]" 1
66 1 20 ASN QD 1 23 LEU MD1 . . 3.530 2.473 1.774 2.927 . 0 0 "[ . 1 . 2]" 1
67 1 20 ASN QD 1 23 LEU HG . . 3.770 2.210 1.866 2.582 . 0 0 "[ . 1 . 2]" 1
68 1 20 ASN HD21 1 23 LEU MD1 . . 4.030 2.561 1.961 3.012 . 0 0 "[ . 1 . 2]" 1
69 1 20 ASN HD21 1 23 LEU HG . . 4.610 2.329 1.899 2.935 . 0 0 "[ . 1 . 2]" 1
70 1 20 ASN HD22 1 23 LEU MD1 . . 4.030 3.715 1.796 4.041 0.011 14 0 "[ . 1 . 2]" 1
71 1 20 ASN HD22 1 23 LEU HG . . 4.610 2.956 2.467 3.912 . 0 0 "[ . 1 . 2]" 1
72 1 21 PRO HA 1 23 LEU H . . 4.680 4.350 3.978 4.684 0.004 14 0 "[ . 1 . 2]" 1
73 1 21 PRO HA 1 24 VAL H . . 4.350 3.448 3.160 3.721 . 0 0 "[ . 1 . 2]" 1
74 1 21 PRO HA 1 24 VAL HB . . 4.040 3.209 2.183 3.819 . 0 0 "[ . 1 . 2]" 1
75 1 21 PRO HA 1 24 VAL MG2 . . 3.710 2.418 1.882 2.767 . 0 0 "[ . 1 . 2]" 1
76 1 21 PRO HA 1 49 ALA MB . . 4.480 3.975 3.413 4.444 . 0 0 "[ . 1 . 2]" 1
77 1 21 PRO HA 1 93 TYR QB . . 3.640 3.000 2.250 3.636 . 0 0 "[ . 1 . 2]" 1
78 1 21 PRO HA 1 93 TYR QD . . 3.990 2.791 2.039 3.993 0.003 16 0 "[ . 1 . 2]" 1
79 1 21 PRO HA 1 99 ILE MG . . 3.910 2.895 2.302 3.644 . 0 0 "[ . 1 . 2]" 1
80 1 21 PRO QB 1 93 TYR QB . . 4.900 2.849 1.960 4.203 . 0 0 "[ . 1 . 2]" 1
81 1 21 PRO QB 1 97 ASN QB . . 4.320 3.477 2.888 4.059 . 0 0 "[ . 1 . 2]" 1
82 1 21 PRO QB 1 99 ILE HA . . 3.830 2.634 1.978 3.184 . 0 0 "[ . 1 . 2]" 1
83 1 21 PRO HB2 1 22 ALA H . . 4.660 3.215 2.871 3.493 . 0 0 "[ . 1 . 2]" 1
84 1 21 PRO HB2 1 99 ILE MG . . 3.710 2.650 2.142 3.633 . 0 0 "[ . 1 . 2]" 1
85 1 21 PRO HB3 1 22 ALA H . . 4.660 4.072 3.874 4.233 . 0 0 "[ . 1 . 2]" 1
86 1 21 PRO HB3 1 99 ILE MG . . 3.710 3.142 2.213 3.694 . 0 0 "[ . 1 . 2]" 1
87 1 21 PRO QD 1 22 ALA H . . 3.620 2.631 2.602 2.712 . 0 0 "[ . 1 . 2]" 1
88 1 21 PRO HD2 1 22 ALA H . . 4.310 2.678 2.647 2.769 . 0 0 "[ . 1 . 2]" 1
89 1 21 PRO HD3 1 22 ALA H . . 4.310 3.848 3.836 3.879 . 0 0 "[ . 1 . 2]" 1
90 1 21 PRO QG 1 22 ALA H . . 3.360 2.230 1.890 2.551 . 0 0 "[ . 1 . 2]" 1
91 1 21 PRO QG 1 97 ASN QB . . 3.450 2.755 2.114 3.211 . 0 0 "[ . 1 . 2]" 1
92 1 21 PRO QG 1 99 ILE HA . . 4.790 4.127 3.664 4.491 . 0 0 "[ . 1 . 2]" 1
93 1 21 PRO HG2 1 22 ALA H . . 4.060 2.247 1.897 2.579 . 0 0 "[ . 1 . 2]" 1
94 1 21 PRO HG2 1 97 ASN HB2 . . 4.740 4.374 3.145 4.740 0.000 4 0 "[ . 1 . 2]" 1
95 1 21 PRO HG2 1 97 ASN HB3 . . 4.740 4.396 3.683 4.741 0.001 3 0 "[ . 1 . 2]" 1
96 1 21 PRO HG3 1 22 ALA H . . 4.060 3.789 3.527 4.036 . 0 0 "[ . 1 . 2]" 1
97 1 21 PRO HG3 1 97 ASN HB2 . . 4.740 3.038 2.165 3.520 . 0 0 "[ . 1 . 2]" 1
98 1 21 PRO HG3 1 97 ASN HB3 . . 4.740 3.527 2.517 4.208 . 0 0 "[ . 1 . 2]" 1
99 1 22 ALA H 1 22 ALA MB . . 2.940 2.130 2.025 2.233 . 0 0 "[ . 1 . 2]" 1
100 1 22 ALA H 1 23 LEU H . . 3.310 2.844 2.643 3.075 . 0 0 "[ . 1 . 2]" 1
101 1 22 ALA H 1 24 VAL H . . 4.650 4.302 3.989 4.557 . 0 0 "[ . 1 . 2]" 1
102 1 22 ALA MB 1 23 LEU H . . 3.380 2.533 2.340 2.760 . 0 0 "[ . 1 . 2]" 1
103 1 22 ALA MB 1 24 VAL H . . 5.050 4.509 4.358 4.683 . 0 0 "[ . 1 . 2]" 1
104 1 23 LEU H 1 23 LEU QB . . 3.190 2.291 2.189 2.473 . 0 0 "[ . 1 . 2]" 1
105 1 23 LEU H 1 23 LEU MD1 . . 4.000 3.588 3.413 3.775 . 0 0 "[ . 1 . 2]" 1
106 1 23 LEU H 1 23 LEU MD2 . . 4.120 3.708 3.256 3.942 . 0 0 "[ . 1 . 2]" 1
107 1 23 LEU H 1 23 LEU HG . . 3.700 2.595 2.258 2.834 . 0 0 "[ . 1 . 2]" 1
108 1 23 LEU H 1 24 VAL H . . 3.210 2.755 2.409 2.930 . 0 0 "[ . 1 . 2]" 1
109 1 23 LEU H 1 24 VAL MG2 . . 4.360 4.140 3.544 4.359 . 0 0 "[ . 1 . 2]" 1
110 1 23 LEU H 1 49 ALA MB . . 4.530 4.305 3.824 4.517 . 0 0 "[ . 1 . 2]" 1
111 1 23 LEU HA 1 23 LEU MD1 . . 4.040 3.845 3.799 3.900 . 0 0 "[ . 1 . 2]" 1
112 1 23 LEU HA 1 23 LEU MD2 . . 2.900 2.105 1.959 2.345 . 0 0 "[ . 1 . 2]" 1
113 1 23 LEU HA 1 23 LEU HG . . 4.030 2.842 2.643 3.205 . 0 0 "[ . 1 . 2]" 1
114 1 23 LEU QB 1 23 LEU MD1 . . 2.990 2.055 1.996 2.096 . 0 0 "[ . 1 . 2]" 1
115 1 23 LEU QB 1 23 LEU MD2 . . 3.120 2.240 2.112 2.299 . 0 0 "[ . 1 . 2]" 1
116 1 23 LEU QB 1 24 VAL H . . 3.960 2.593 2.412 2.985 . 0 0 "[ . 1 . 2]" 1
117 1 23 LEU QB 1 49 ALA H . . 4.680 3.833 3.016 4.496 . 0 0 "[ . 1 . 2]" 1
118 1 23 LEU QB 1 49 ALA HA . . 3.500 3.116 2.120 3.488 . 0 0 "[ . 1 . 2]" 1
119 1 23 LEU QB 1 49 ALA MB . . 3.580 2.613 2.117 2.965 . 0 0 "[ . 1 . 2]" 1
120 1 23 LEU MD1 1 24 VAL H . . 5.160 4.508 4.320 4.786 . 0 0 "[ . 1 . 2]" 1
121 1 23 LEU MD1 1 48 ARG HA . . 5.450 4.658 3.862 5.415 . 0 0 "[ . 1 . 2]" 1
122 1 23 LEU MD1 1 48 ARG QD . . 4.470 3.903 2.848 4.465 . 0 0 "[ . 1 . 2]" 1
123 1 23 LEU MD1 1 49 ALA HA . . 3.820 2.631 2.071 3.010 . 0 0 "[ . 1 . 2]" 1
124 1 23 LEU MD2 1 24 VAL H . . 4.890 4.678 4.537 4.816 . 0 0 "[ . 1 . 2]" 1
125 1 23 LEU MD2 1 48 ARG QD . . 4.330 3.428 1.915 4.284 . 0 0 "[ . 1 . 2]" 1
126 1 23 LEU HG 1 24 VAL H . . 5.470 4.617 4.211 4.834 . 0 0 "[ . 1 . 2]" 1
127 1 24 VAL H 1 24 VAL HB . . 3.170 2.567 2.418 2.728 . 0 0 "[ . 1 . 2]" 1
128 1 24 VAL H 1 24 VAL MG1 . . 4.090 3.764 3.745 3.778 . 0 0 "[ . 1 . 2]" 1
129 1 24 VAL H 1 24 VAL MG2 . . 3.390 2.113 1.934 2.531 . 0 0 "[ . 1 . 2]" 1
130 1 24 VAL H 1 25 SER H . . 4.810 4.572 4.496 4.628 . 0 0 "[ . 1 . 2]" 1
131 1 24 VAL H 1 49 ALA MB . . 4.300 3.055 2.322 3.406 . 0 0 "[ . 1 . 2]" 1
132 1 24 VAL H 1 99 ILE MG . . 4.290 4.025 3.598 4.290 0.000 9 0 "[ . 1 . 2]" 1
133 1 24 VAL HA 1 24 VAL MG1 . . 3.460 2.394 2.250 2.491 . 0 0 "[ . 1 . 2]" 1
134 1 24 VAL HA 1 24 VAL MG2 . . 3.620 2.338 2.208 2.436 . 0 0 "[ . 1 . 2]" 1
135 1 24 VAL HA 1 25 SER H . . 2.800 2.176 2.140 2.239 . 0 0 "[ . 1 . 2]" 1
136 1 24 VAL HA 1 46 THR HA . . 4.260 3.299 2.874 3.724 . 0 0 "[ . 1 . 2]" 1
137 1 24 VAL HA 1 49 ALA MB . . 4.260 3.228 1.970 3.634 . 0 0 "[ . 1 . 2]" 1
138 1 24 VAL HB 1 25 SER H . . 4.430 4.121 3.912 4.284 . 0 0 "[ . 1 . 2]" 1
139 1 24 VAL HB 1 99 ILE HB . . 4.140 3.025 2.437 3.644 . 0 0 "[ . 1 . 2]" 1
140 1 24 VAL HB 1 99 ILE MG . . 3.430 2.059 1.877 2.261 . 0 0 "[ . 1 . 2]" 1
141 1 24 VAL MG1 1 25 SER H . . 3.240 2.391 1.900 2.793 . 0 0 "[ . 1 . 2]" 1
142 1 24 VAL MG1 1 25 SER HA . . 4.390 3.477 3.226 3.740 . 0 0 "[ . 1 . 2]" 1
143 1 24 VAL MG1 1 93 TYR QD . . 4.550 3.773 2.814 4.439 . 0 0 "[ . 1 . 2]" 1
144 1 24 VAL MG1 1 99 ILE MD . . 3.310 2.191 1.941 2.673 . 0 0 "[ . 1 . 2]" 1
145 1 24 VAL MG1 1 99 ILE MG . . 3.080 2.195 1.811 2.635 . 0 0 "[ . 1 . 2]" 1
146 1 24 VAL MG2 1 25 SER H . . 4.070 3.936 3.709 4.067 . 0 0 "[ . 1 . 2]" 1
147 1 24 VAL MG2 1 46 THR HA . . 3.930 2.939 2.445 3.454 . 0 0 "[ . 1 . 2]" 1
148 1 24 VAL MG2 1 49 ALA MB . . 3.360 1.923 1.667 2.216 . 0 0 "[ . 1 . 2]" 1
149 1 24 VAL MG2 1 93 TYR QB . . 4.110 2.761 2.189 3.288 . 0 0 "[ . 1 . 2]" 1
150 1 24 VAL MG2 1 93 TYR QD . . 4.140 2.645 2.001 3.294 . 0 0 "[ . 1 . 2]" 1
151 1 24 VAL MG2 1 93 TYR QE . . 4.830 3.257 2.521 4.152 . 0 0 "[ . 1 . 2]" 1
152 1 25 SER H 1 25 SER HB2 . . 4.120 2.930 2.433 3.896 . 0 0 "[ . 1 . 2]" 1
153 1 25 SER H 1 25 SER QB . . 3.500 2.663 2.399 3.086 . 0 0 "[ . 1 . 2]" 1
154 1 25 SER H 1 25 SER HB3 . . 4.120 3.388 2.656 3.908 . 0 0 "[ . 1 . 2]" 1
155 1 25 SER H 1 26 ALA H . . 4.770 4.446 4.379 4.525 . 0 0 "[ . 1 . 2]" 1
156 1 25 SER H 1 26 ALA MB . . 5.440 4.904 4.677 5.085 . 0 0 "[ . 1 . 2]" 1
157 1 25 SER H 1 44 ILE MG . . 4.970 3.347 2.808 3.968 . 0 0 "[ . 1 . 2]" 1
158 1 25 SER H 1 45 ASN H . . 3.860 3.345 2.936 3.801 . 0 0 "[ . 1 . 2]" 1
159 1 25 SER H 1 45 ASN HB2 . . 4.360 3.878 2.648 4.354 . 0 0 "[ . 1 . 2]" 1
160 1 25 SER H 1 45 ASN QB . . 3.670 2.516 2.215 3.171 . 0 0 "[ . 1 . 2]" 1
161 1 25 SER H 1 45 ASN HB3 . . 4.360 2.583 2.241 3.282 . 0 0 "[ . 1 . 2]" 1
162 1 25 SER H 1 46 THR HA . . 4.440 4.277 3.986 4.428 . 0 0 "[ . 1 . 2]" 1
163 1 25 SER H 1 49 ALA MB . . 5.500 4.970 3.632 5.383 . 0 0 "[ . 1 . 2]" 1
164 1 25 SER H 1 99 ILE MD . . 4.700 4.201 3.714 4.623 . 0 0 "[ . 1 . 2]" 1
165 1 25 SER HA 1 26 ALA H . . 3.010 2.379 2.197 2.477 . 0 0 "[ . 1 . 2]" 1
166 1 25 SER HA 1 26 ALA MB . . 4.400 3.799 3.725 3.869 . 0 0 "[ . 1 . 2]" 1
167 1 25 SER HA 1 99 ILE MD . . 4.030 2.997 2.250 3.725 . 0 0 "[ . 1 . 2]" 1
168 1 25 SER QB 1 26 ALA H . . 3.410 2.801 2.247 3.350 . 0 0 "[ . 1 . 2]" 1
169 1 25 SER QB 1 45 ASN QB . . 3.790 2.209 1.957 3.482 . 0 0 "[ . 1 . 2]" 1
170 1 25 SER HB2 1 26 ALA H . . 4.070 3.689 2.620 3.972 . 0 0 "[ . 1 . 2]" 1
171 1 25 SER HB3 1 26 ALA H . . 4.070 3.002 2.274 3.994 . 0 0 "[ . 1 . 2]" 1
172 1 26 ALA H 1 26 ALA MB . . 3.290 2.576 2.346 2.692 . 0 0 "[ . 1 . 2]" 1
173 1 26 ALA H 1 99 ILE MD . . 4.160 3.615 2.946 4.103 . 0 0 "[ . 1 . 2]" 1
174 1 26 ALA HA 1 27 TYR H . . 2.920 2.178 2.148 2.261 . 0 0 "[ . 1 . 2]" 1
175 1 26 ALA HA 1 27 TYR QD . . 4.300 3.659 2.980 4.182 . 0 0 "[ . 1 . 2]" 1
176 1 26 ALA HA 1 44 ILE HA . . 3.690 2.474 2.211 2.798 . 0 0 "[ . 1 . 2]" 1
177 1 26 ALA HA 1 45 ASN H . . 3.880 3.178 2.661 3.650 . 0 0 "[ . 1 . 2]" 1
178 1 26 ALA MB 1 27 TYR H . . 3.470 3.020 2.769 3.149 . 0 0 "[ . 1 . 2]" 1
179 1 26 ALA MB 1 31 LEU MD1 . . 3.250 2.302 1.927 2.754 . 0 0 "[ . 1 . 2]" 1
180 1 26 ALA MB 1 31 LEU MD2 . . 3.750 3.463 3.076 3.746 . 0 0 "[ . 1 . 2]" 1
181 1 26 ALA MB 1 42 PHE QD . . 4.020 3.166 2.519 3.796 . 0 0 "[ . 1 . 2]" 1
182 1 26 ALA MB 1 44 ILE QG . . 3.820 2.664 1.982 3.256 . 0 0 "[ . 1 . 2]" 1
183 1 27 TYR H 1 27 TYR QD . . 3.640 3.107 2.296 3.456 . 0 0 "[ . 1 . 2]" 1
184 1 27 TYR H 1 27 TYR QE . . 4.900 4.411 4.093 4.618 . 0 0 "[ . 1 . 2]" 1
185 1 27 TYR H 1 31 LEU MD1 . . 4.010 3.174 2.669 3.674 . 0 0 "[ . 1 . 2]" 1
186 1 27 TYR H 1 42 PHE HB2 . . 4.780 3.615 3.095 4.125 . 0 0 "[ . 1 . 2]" 1
187 1 27 TYR H 1 43 PHE H . . 4.050 3.840 3.571 4.038 . 0 0 "[ . 1 . 2]" 1
188 1 27 TYR H 1 43 PHE QB . . 4.640 4.394 4.120 4.637 . 0 0 "[ . 1 . 2]" 1
189 1 27 TYR H 1 44 ILE HA . . 4.180 3.640 3.207 3.949 . 0 0 "[ . 1 . 2]" 1
190 1 27 TYR HA 1 27 TYR QD . . 3.990 3.723 3.693 3.741 . 0 0 "[ . 1 . 2]" 1
191 1 27 TYR HA 1 28 GLY H . . 3.160 2.380 2.311 2.510 . 0 0 "[ . 1 . 2]" 1
192 1 27 TYR HA 1 31 LEU MD1 . . 3.700 2.289 1.927 2.802 . 0 0 "[ . 1 . 2]" 1
193 1 27 TYR QB 1 28 GLY H . . 3.060 2.472 2.185 2.626 . 0 0 "[ . 1 . 2]" 1
194 1 27 TYR QB 1 31 LEU MD1 . . 4.680 3.797 3.473 4.200 . 0 0 "[ . 1 . 2]" 1
195 1 27 TYR HB2 1 28 GLY H . . 3.880 2.507 2.204 2.671 . 0 0 "[ . 1 . 2]" 1
196 1 27 TYR HB3 1 28 GLY H . . 3.880 3.777 3.588 3.871 . 0 0 "[ . 1 . 2]" 1
197 1 27 TYR QD 1 28 GLY H . . 3.840 3.477 2.929 3.790 . 0 0 "[ . 1 . 2]" 1
198 1 27 TYR QD 1 28 GLY QA . . 4.310 3.082 2.684 3.538 . 0 0 "[ . 1 . 2]" 1
199 1 27 TYR QD 1 43 PHE QB . . 4.770 4.094 3.363 4.713 . 0 0 "[ . 1 . 2]" 1
200 1 27 TYR QE 1 43 PHE QB . . 4.070 3.217 2.233 4.051 . 0 0 "[ . 1 . 2]" 1
201 1 27 TYR QE 1 45 ASN QB . . 3.690 2.446 1.981 3.127 . 0 0 "[ . 1 . 2]" 1
202 1 28 GLY H 1 31 LEU MD1 . . 3.930 3.280 2.456 3.771 . 0 0 "[ . 1 . 2]" 1
203 1 28 GLY QA 1 30 GLY H . . 4.090 3.283 3.099 3.533 . 0 0 "[ . 1 . 2]" 1
204 1 28 GLY QA 1 43 PHE H . . 4.020 3.211 2.838 3.482 . 0 0 "[ . 1 . 2]" 1
205 1 28 GLY HA2 1 30 GLY H . . 4.800 4.556 4.348 4.754 . 0 0 "[ . 1 . 2]" 1
206 1 28 GLY HA3 1 30 GLY H . . 4.800 3.368 3.172 3.643 . 0 0 "[ . 1 . 2]" 1
207 1 29 THR H 1 29 THR MG . . 4.530 3.769 2.911 3.915 . 0 0 "[ . 1 . 2]" 1
208 1 29 THR HA 1 29 THR MG . . 3.180 2.232 1.998 2.347 . 0 0 "[ . 1 . 2]" 1
209 1 29 THR HA 1 31 LEU H . . 4.360 4.008 3.477 4.322 . 0 0 "[ . 1 . 2]" 1
210 1 29 THR HA 1 32 GLU H . . 4.010 3.401 3.183 3.647 . 0 0 "[ . 1 . 2]" 1
211 1 29 THR HA 1 32 GLU QB . . 3.970 3.367 2.687 3.743 . 0 0 "[ . 1 . 2]" 1
212 1 29 THR HA 1 32 GLU HG2 . . 4.290 2.631 2.006 4.029 . 0 0 "[ . 1 . 2]" 1
213 1 29 THR HA 1 32 GLU HG3 . . 4.290 2.762 2.000 4.041 . 0 0 "[ . 1 . 2]" 1
214 1 29 THR HB 1 30 GLY H . . 3.420 3.131 2.809 3.418 . 0 0 "[ . 1 . 2]" 1
215 1 29 THR MG 1 30 GLY H . . 4.490 3.996 3.748 4.197 . 0 0 "[ . 1 . 2]" 1
216 1 30 GLY H 1 31 LEU H . . 3.640 2.534 2.304 2.755 . 0 0 "[ . 1 . 2]" 1
217 1 30 GLY H 1 32 GLU H . . 4.650 4.017 3.835 4.253 . 0 0 "[ . 1 . 2]" 1
218 1 30 GLY H 1 40 SER HB2 . . 4.470 3.762 2.437 4.437 . 0 0 "[ . 1 . 2]" 1
219 1 30 GLY H 1 40 SER QB . . 3.900 2.783 2.416 3.160 . 0 0 "[ . 1 . 2]" 1
220 1 30 GLY H 1 40 SER HB3 . . 4.470 3.268 2.505 4.460 . 0 0 "[ . 1 . 2]" 1
221 1 30 GLY H 1 42 PHE HA . . 4.470 4.067 3.648 4.356 . 0 0 "[ . 1 . 2]" 1
222 1 30 GLY H 1 42 PHE HB2 . . 4.490 4.342 4.094 4.483 . 0 0 "[ . 1 . 2]" 1
223 1 30 GLY H 1 42 PHE HB3 . . 4.110 3.017 2.701 3.285 . 0 0 "[ . 1 . 2]" 1
224 1 30 GLY H 1 42 PHE QD . . 4.900 4.310 3.552 4.778 . 0 0 "[ . 1 . 2]" 1
225 1 30 GLY HA2 1 32 GLU H . . 4.440 4.175 3.937 4.358 . 0 0 "[ . 1 . 2]" 1
226 1 30 GLY HA2 1 40 SER HB2 . . 4.290 2.526 2.080 3.090 . 0 0 "[ . 1 . 2]" 1
227 1 30 GLY HA2 1 40 SER QB . . 3.670 2.149 1.940 2.370 . 0 0 "[ . 1 . 2]" 1
228 1 30 GLY HA2 1 40 SER HB3 . . 4.290 2.435 2.010 2.897 . 0 0 "[ . 1 . 2]" 1
229 1 30 GLY HA2 1 41 GLU H . . 4.610 4.509 4.317 4.610 . 5 0 "[ . 1 . 2]" 1
230 1 30 GLY HA2 1 79 TYR HH . . 4.820 3.627 2.631 4.678 . 0 0 "[ . 1 . 2]" 1
231 1 30 GLY HA3 1 40 SER HB2 . . 4.170 2.716 2.063 3.305 . 0 0 "[ . 1 . 2]" 1
232 1 30 GLY HA3 1 40 SER QB . . 3.580 2.354 2.045 2.939 . 0 0 "[ . 1 . 2]" 1
233 1 30 GLY HA3 1 40 SER HB3 . . 4.170 2.904 2.205 3.818 . 0 0 "[ . 1 . 2]" 1
234 1 30 GLY HA3 1 41 GLU H . . 4.480 4.063 3.728 4.351 . 0 0 "[ . 1 . 2]" 1
235 1 30 GLY HA3 1 42 PHE QD . . 4.460 3.495 2.740 4.131 . 0 0 "[ . 1 . 2]" 1
236 1 30 GLY HA3 1 79 TYR HH . . 4.610 3.609 2.666 4.603 . 0 0 "[ . 1 . 2]" 1
237 1 31 LEU H 1 31 LEU HB2 . . 3.670 2.435 2.256 2.635 . 0 0 "[ . 1 . 2]" 1
238 1 31 LEU H 1 31 LEU QB . . 3.100 2.397 2.232 2.573 . 0 0 "[ . 1 . 2]" 1
239 1 31 LEU H 1 31 LEU HB3 . . 3.670 3.602 3.539 3.666 . 0 0 "[ . 1 . 2]" 1
240 1 31 LEU H 1 31 LEU MD1 . . 3.920 3.601 3.262 3.855 . 0 0 "[ . 1 . 2]" 1
241 1 31 LEU H 1 31 LEU MD2 . . 4.010 3.675 3.313 3.965 . 0 0 "[ . 1 . 2]" 1
242 1 31 LEU H 1 31 LEU HG . . 3.300 2.535 2.038 2.999 . 0 0 "[ . 1 . 2]" 1
243 1 31 LEU H 1 32 GLU H . . 3.170 2.367 2.016 2.627 . 0 0 "[ . 1 . 2]" 1
244 1 31 LEU H 1 33 GLY H . . 4.460 4.170 3.670 4.457 . 0 0 "[ . 1 . 2]" 1
245 1 31 LEU H 1 42 PHE HB2 . . 4.570 4.190 3.870 4.564 . 0 0 "[ . 1 . 2]" 1
246 1 31 LEU H 1 42 PHE HB3 . . 4.180 3.349 2.926 3.815 . 0 0 "[ . 1 . 2]" 1
247 1 31 LEU HA 1 31 LEU MD1 . . 4.130 3.895 3.819 3.973 . 0 0 "[ . 1 . 2]" 1
248 1 31 LEU HA 1 31 LEU MD2 . . 3.210 2.137 1.986 2.437 . 0 0 "[ . 1 . 2]" 1
249 1 31 LEU HA 1 31 LEU HG . . 4.210 2.988 2.824 3.134 . 0 0 "[ . 1 . 2]" 1
250 1 31 LEU HA 1 89 ILE MD . . 3.720 3.391 3.005 3.649 . 0 0 "[ . 1 . 2]" 1
251 1 31 LEU QB 1 31 LEU MD2 . . 3.240 2.230 2.078 2.301 . 0 0 "[ . 1 . 2]" 1
252 1 31 LEU QB 1 32 GLU H . . 3.480 2.851 2.623 3.049 . 0 0 "[ . 1 . 2]" 1
253 1 31 LEU HB2 1 31 LEU MD1 . . 3.460 2.222 2.110 2.314 . 0 0 "[ . 1 . 2]" 1
254 1 31 LEU HB2 1 32 GLU H . . 3.980 2.937 2.680 3.168 . 0 0 "[ . 1 . 2]" 1
255 1 31 LEU HB3 1 31 LEU MD1 . . 3.460 2.461 2.307 2.614 . 0 0 "[ . 1 . 2]" 1
256 1 31 LEU HB3 1 32 GLU H . . 3.980 3.865 3.610 3.975 . 0 0 "[ . 1 . 2]" 1
257 1 31 LEU MD1 1 42 PHE HB2 . . 4.370 2.577 2.009 3.050 . 0 0 "[ . 1 . 2]" 1
258 1 31 LEU MD1 1 42 PHE HB3 . . 4.610 3.464 2.990 4.006 . 0 0 "[ . 1 . 2]" 1
259 1 31 LEU MD1 1 42 PHE QD . . 4.550 3.223 2.446 4.033 . 0 0 "[ . 1 . 2]" 1
260 1 31 LEU MD1 1 104 PHE QB . . 5.310 4.240 3.693 4.824 . 0 0 "[ . 1 . 2]" 1
261 1 31 LEU MD1 1 104 PHE QD . . 4.350 3.986 3.640 4.266 . 0 0 "[ . 1 . 2]" 1
262 1 31 LEU MD1 1 104 PHE QE . . 4.480 3.808 3.142 4.327 . 0 0 "[ . 1 . 2]" 1
263 1 31 LEU MD2 1 42 PHE QD . . 4.030 3.669 3.384 3.926 . 0 0 "[ . 1 . 2]" 1
264 1 31 LEU MD2 1 42 PHE QE . . 4.410 3.907 3.513 4.376 . 0 0 "[ . 1 . 2]" 1
265 1 31 LEU MD2 1 89 ILE HB . . 4.470 3.365 2.679 3.848 . 0 0 "[ . 1 . 2]" 1
266 1 31 LEU MD2 1 89 ILE MD . . 3.440 2.111 1.832 2.430 . 0 0 "[ . 1 . 2]" 1
267 1 31 LEU MD2 1 104 PHE HB2 . . 4.370 3.118 2.580 3.582 . 0 0 "[ . 1 . 2]" 1
268 1 31 LEU MD2 1 104 PHE HB3 . . 4.370 2.808 2.176 3.175 . 0 0 "[ . 1 . 2]" 1
269 1 31 LEU MD2 1 104 PHE QD . . 3.970 3.052 2.656 3.512 . 0 0 "[ . 1 . 2]" 1
270 1 31 LEU MD2 1 104 PHE QE . . 4.760 3.811 2.948 4.351 . 0 0 "[ . 1 . 2]" 1
271 1 31 LEU HG 1 32 GLU H . . 4.710 4.487 4.110 4.706 . 0 0 "[ . 1 . 2]" 1
272 1 31 LEU HG 1 42 PHE HB2 . . 4.200 3.068 2.565 3.634 . 0 0 "[ . 1 . 2]" 1
273 1 31 LEU HG 1 42 PHE HB3 . . 4.200 2.863 2.276 3.250 . 0 0 "[ . 1 . 2]" 1
274 1 31 LEU HG 1 42 PHE QD . . 4.720 3.461 2.549 3.894 . 0 0 "[ . 1 . 2]" 1
275 1 32 GLU H 1 32 GLU HB2 . . 3.640 2.915 2.459 3.645 0.005 11 0 "[ . 1 . 2]" 1
276 1 32 GLU H 1 32 GLU QB . . 3.100 2.493 2.368 2.654 . 0 0 "[ . 1 . 2]" 1
277 1 32 GLU H 1 32 GLU HB3 . . 3.640 3.226 2.402 3.615 . 0 0 "[ . 1 . 2]" 1
278 1 32 GLU H 1 32 GLU HG2 . . 3.720 2.398 1.917 3.404 . 0 0 "[ . 1 . 2]" 1
279 1 32 GLU H 1 32 GLU QG . . 3.240 2.162 1.901 2.475 . 0 0 "[ . 1 . 2]" 1
280 1 32 GLU H 1 32 GLU HG3 . . 3.720 3.096 2.046 3.707 . 0 0 "[ . 1 . 2]" 1
281 1 32 GLU H 1 33 GLY H . . 3.010 2.704 2.381 2.950 . 0 0 "[ . 1 . 2]" 1
282 1 32 GLU HA 1 32 GLU HG2 . . 3.940 3.112 2.373 3.925 . 0 0 "[ . 1 . 2]" 1
283 1 32 GLU HA 1 32 GLU HG3 . . 3.940 3.607 2.972 3.813 . 0 0 "[ . 1 . 2]" 1
284 1 32 GLU QB 1 33 GLY H . . 3.860 2.986 2.511 3.812 . 0 0 "[ . 1 . 2]" 1
285 1 32 GLU HB2 1 33 GLY H . . 4.550 3.188 2.557 4.400 . 0 0 "[ . 1 . 2]" 1
286 1 32 GLU HB3 1 33 GLY H . . 4.550 3.830 3.585 4.240 . 0 0 "[ . 1 . 2]" 1
287 1 33 GLY H 1 106 ALA MB . . 4.290 3.981 3.367 4.272 . 0 0 "[ . 1 . 2]" 1
288 1 33 GLY HA2 1 34 GLY H . . 3.340 2.586 2.384 2.767 . 0 0 "[ . 1 . 2]" 1
289 1 33 GLY HA2 1 106 ALA MB . . 3.810 2.936 2.569 3.114 . 0 0 "[ . 1 . 2]" 1
290 1 33 GLY HA2 1 107 LYS H . . 3.790 3.155 2.698 3.711 . 0 0 "[ . 1 . 2]" 1
291 1 33 GLY HA3 1 34 GLY H . . 3.150 2.553 2.384 2.765 . 0 0 "[ . 1 . 2]" 1
292 1 33 GLY HA3 1 106 ALA MB . . 4.510 4.385 4.097 4.510 . 0 0 "[ . 1 . 2]" 1
293 1 34 GLY H 1 35 THR H . . 4.260 4.200 4.162 4.249 . 0 0 "[ . 1 . 2]" 1
294 1 34 GLY H 1 106 ALA MB . . 4.550 3.871 3.589 4.138 . 0 0 "[ . 1 . 2]" 1
295 1 34 GLY H 1 108 VAL HA . . 3.330 2.831 2.553 3.174 . 0 0 "[ . 1 . 2]" 1
296 1 34 GLY H 1 108 VAL MG1 . . 4.500 4.154 3.912 4.405 . 0 0 "[ . 1 . 2]" 1
297 1 34 GLY H 1 108 VAL MG2 . . 4.070 3.771 3.483 4.033 . 0 0 "[ . 1 . 2]" 1
298 1 34 GLY H 1 109 THR H . . 4.320 4.073 3.844 4.294 . 0 0 "[ . 1 . 2]" 1
299 1 34 GLY HA2 1 35 THR H . . 3.160 2.171 2.157 2.176 . 0 0 "[ . 1 . 2]" 1
300 1 34 GLY HA2 1 35 THR HA . . 4.770 4.413 4.405 4.418 . 0 0 "[ . 1 . 2]" 1
301 1 34 GLY HA2 1 36 THR HG1 . . 5.500 5.499 5.492 5.510 0.010 16 0 "[ . 1 . 2]" 1
302 1 34 GLY HA3 1 35 THR H . . 3.510 3.388 3.361 3.398 . 0 0 "[ . 1 . 2]" 1
303 1 34 GLY HA3 1 35 THR HA . . 4.890 4.602 4.581 4.620 . 0 0 "[ . 1 . 2]" 1
304 1 34 GLY HA3 1 36 THR HG1 . . 5.020 4.825 4.760 4.904 . 0 0 "[ . 1 . 2]" 1
305 1 35 THR H 1 35 THR HB . . 3.730 3.364 2.804 3.571 . 0 0 "[ . 1 . 2]" 1
306 1 35 THR H 1 35 THR MG . . 4.310 3.317 3.093 3.839 . 0 0 "[ . 1 . 2]" 1
307 1 35 THR H 1 38 ILE HB . . 5.150 5.057 4.816 5.148 . 0 0 "[ . 1 . 2]" 1
308 1 35 THR H 1 108 VAL MG1 . . 4.370 3.730 3.523 3.894 . 0 0 "[ . 1 . 2]" 1
309 1 35 THR HA 1 35 THR MG . . 3.370 2.072 2.025 2.136 . 0 0 "[ . 1 . 2]" 1
310 1 35 THR HA 1 36 THR H . . 3.170 2.161 2.144 2.173 . 0 0 "[ . 1 . 2]" 1
311 1 35 THR HA 1 108 VAL HA . . 4.900 4.759 4.539 4.898 . 0 0 "[ . 1 . 2]" 1
312 1 35 THR HA 1 108 VAL MG1 . . 3.680 3.636 3.536 3.685 0.005 13 0 "[ . 1 . 2]" 1
313 1 35 THR HA 1 109 THR H . . 4.230 4.086 3.810 4.229 . 0 0 "[ . 1 . 2]" 1
314 1 35 THR HB 1 36 THR H . . 4.570 3.858 3.623 4.247 . 0 0 "[ . 1 . 2]" 1
315 1 35 THR HB 1 38 ILE H . . 4.360 3.186 2.891 3.757 . 0 0 "[ . 1 . 2]" 1
316 1 35 THR HB 1 38 ILE HB . . 3.420 2.250 2.050 2.453 . 0 0 "[ . 1 . 2]" 1
317 1 35 THR HB 1 38 ILE MD . . 3.650 2.891 2.169 3.648 . 0 0 "[ . 1 . 2]" 1
318 1 35 THR HB 1 38 ILE QG . . 3.920 3.123 2.571 3.827 . 0 0 "[ . 1 . 2]" 1
319 1 35 THR HB 1 38 ILE MG . . 4.100 3.758 3.517 3.934 . 0 0 "[ . 1 . 2]" 1
320 1 35 THR MG 1 36 THR H . . 3.760 3.602 3.075 3.762 0.002 18 0 "[ . 1 . 2]" 1
321 1 35 THR MG 1 38 ILE H . . 4.850 4.263 3.052 4.791 . 0 0 "[ . 1 . 2]" 1
322 1 35 THR MG 1 38 ILE HB . . 3.710 3.106 2.260 3.661 . 0 0 "[ . 1 . 2]" 1
323 1 35 THR MG 1 38 ILE MD . . 3.200 2.313 1.856 3.062 . 0 0 "[ . 1 . 2]" 1
324 1 36 THR H 1 36 THR HB . . 3.960 2.829 2.645 2.889 . 0 0 "[ . 1 . 2]" 1
325 1 36 THR H 1 36 THR MG . . 3.800 3.743 3.712 3.792 . 0 0 "[ . 1 . 2]" 1
326 1 36 THR H 1 108 VAL MG1 . . 3.510 3.069 2.950 3.196 . 0 0 "[ . 1 . 2]" 1
327 1 36 THR H 1 109 THR H . . 4.310 4.043 3.753 4.251 . 0 0 "[ . 1 . 2]" 1
328 1 36 THR HA 1 36 THR MG . . 3.450 2.181 2.034 2.255 . 0 0 "[ . 1 . 2]" 1
329 1 36 THR HA 1 37 GLY H . . 3.280 2.156 2.145 2.198 . 0 0 "[ . 1 . 2]" 1
330 1 36 THR HA 1 38 ILE H . . 4.280 3.670 3.438 3.898 . 0 0 "[ . 1 . 2]" 1
331 1 36 THR HA 1 81 PRO HB2 . . 4.820 3.635 3.301 4.021 . 0 0 "[ . 1 . 2]" 1
332 1 36 THR HA 1 81 PRO HG2 . . 3.990 2.213 2.004 2.491 . 0 0 "[ . 1 . 2]" 1
333 1 36 THR HA 1 81 PRO HG3 . . 4.530 3.909 3.654 4.218 . 0 0 "[ . 1 . 2]" 1
334 1 36 THR HA 1 108 VAL MG1 . . 4.160 3.489 3.234 3.729 . 0 0 "[ . 1 . 2]" 1
335 1 36 THR HB 1 37 GLY H . . 4.270 4.095 3.796 4.230 . 0 0 "[ . 1 . 2]" 1
336 1 36 THR HB 1 113 LEU MD1 . . 3.700 3.405 2.868 3.703 0.003 17 0 "[ . 1 . 2]" 1
337 1 36 THR HB 1 113 LEU HG . . 4.010 3.626 3.194 4.005 . 0 0 "[ . 1 . 2]" 1
338 1 36 THR MG 1 83 ALA H . . 3.610 3.360 2.977 3.589 . 0 0 "[ . 1 . 2]" 1
339 1 36 THR MG 1 83 ALA HA . . 3.530 2.759 2.491 2.982 . 0 0 "[ . 1 . 2]" 1
340 1 36 THR MG 1 84 PRO HA . . 4.230 3.848 3.411 4.109 . 0 0 "[ . 1 . 2]" 1
341 1 36 THR MG 1 84 PRO HD2 . . 4.170 4.069 3.873 4.171 0.001 8 0 "[ . 1 . 2]" 1
342 1 36 THR MG 1 84 PRO QD . . 3.510 2.818 2.521 3.044 . 0 0 "[ . 1 . 2]" 1
343 1 36 THR MG 1 84 PRO HD3 . . 4.170 2.875 2.554 3.129 . 0 0 "[ . 1 . 2]" 1
344 1 36 THR MG 1 112 ARG HA . . 4.170 3.352 2.516 4.165 . 0 0 "[ . 1 . 2]" 1
345 1 36 THR MG 1 113 LEU H . . 3.470 3.122 2.107 3.449 . 0 0 "[ . 1 . 2]" 1
346 1 37 GLY H 1 38 ILE H . . 3.570 2.583 2.288 2.839 . 0 0 "[ . 1 . 2]" 1
347 1 37 GLY H 1 80 THR MG . . 3.830 2.737 2.317 3.143 . 0 0 "[ . 1 . 2]" 1
348 1 37 GLY H 1 82 MET HA . . 4.510 4.228 3.777 4.495 . 0 0 "[ . 1 . 2]" 1
349 1 37 GLY H 1 113 LEU MD1 . . 4.030 2.819 2.384 3.356 . 0 0 "[ . 1 . 2]" 1
350 1 37 GLY QA 1 80 THR MG . . 3.420 3.283 2.731 3.419 . 0 0 "[ . 1 . 2]" 1
351 1 37 GLY QA 1 113 LEU MD1 . . 3.150 2.099 1.795 2.681 . 0 0 "[ . 1 . 2]" 1
352 1 37 GLY HA2 1 113 LEU MD1 . . 3.620 2.211 1.898 2.777 . 0 0 "[ . 1 . 2]" 1
353 1 37 GLY HA3 1 113 LEU MD1 . . 3.620 2.666 2.184 3.535 . 0 0 "[ . 1 . 2]" 1
354 1 38 ILE H 1 38 ILE HB . . 3.230 2.676 2.624 2.730 . 0 0 "[ . 1 . 2]" 1
355 1 38 ILE H 1 38 ILE MD . . 4.090 3.832 3.538 4.089 . 0 0 "[ . 1 . 2]" 1
356 1 38 ILE H 1 38 ILE HG12 . . 3.820 3.537 3.215 3.791 . 0 0 "[ . 1 . 2]" 1
357 1 38 ILE H 1 38 ILE HG13 . . 3.820 2.429 2.098 2.721 . 0 0 "[ . 1 . 2]" 1
358 1 38 ILE H 1 38 ILE MG . . 3.850 3.850 3.800 3.873 0.023 9 0 "[ . 1 . 2]" 1
359 1 38 ILE H 1 39 GLN H . . 4.750 4.529 4.493 4.595 . 0 0 "[ . 1 . 2]" 1
360 1 38 ILE H 1 80 THR MG . . 4.000 3.393 3.020 3.792 . 0 0 "[ . 1 . 2]" 1
361 1 38 ILE HA 1 38 ILE MD . . 3.930 3.837 3.704 3.932 0.002 12 0 "[ . 1 . 2]" 1
362 1 38 ILE HA 1 38 ILE HG12 . . 4.010 2.615 2.468 2.772 . 0 0 "[ . 1 . 2]" 1
363 1 38 ILE HA 1 38 ILE QG . . 3.460 2.493 2.388 2.565 . 0 0 "[ . 1 . 2]" 1
364 1 38 ILE HA 1 38 ILE HG13 . . 4.010 3.186 2.980 3.391 . 0 0 "[ . 1 . 2]" 1
365 1 38 ILE HA 1 38 ILE MG . . 3.280 2.299 2.166 2.411 . 0 0 "[ . 1 . 2]" 1
366 1 38 ILE HA 1 39 GLN H . . 2.700 2.299 2.223 2.439 . 0 0 "[ . 1 . 2]" 1
367 1 38 ILE HA 1 39 GLN HB2 . . 4.710 4.643 4.543 4.705 . 0 0 "[ . 1 . 2]" 1
368 1 38 ILE HA 1 39 GLN HB3 . . 4.520 4.427 4.355 4.510 . 0 0 "[ . 1 . 2]" 1
369 1 38 ILE HB 1 38 ILE MD . . 3.510 2.461 2.337 2.548 . 0 0 "[ . 1 . 2]" 1
370 1 38 ILE HB 1 39 GLN H . . 4.670 3.667 3.358 3.896 . 0 0 "[ . 1 . 2]" 1
371 1 38 ILE MD 1 38 ILE MG . . 2.810 1.927 1.874 2.061 . 0 0 "[ . 1 . 2]" 1
372 1 38 ILE MD 1 39 GLN H . . 4.720 4.691 4.567 4.737 0.017 17 0 "[ . 1 . 2]" 1
373 1 38 ILE QG 1 38 ILE MG . . 2.940 2.329 2.259 2.425 . 0 0 "[ . 1 . 2]" 1
374 1 38 ILE QG 1 39 GLN H . . 4.290 4.107 3.989 4.236 . 0 0 "[ . 1 . 2]" 1
375 1 38 ILE HG12 1 38 ILE MG . . 3.370 2.395 2.309 2.518 . 0 0 "[ . 1 . 2]" 1
376 1 38 ILE HG13 1 38 ILE MG . . 3.370 3.189 3.166 3.202 . 0 0 "[ . 1 . 2]" 1
377 1 38 ILE MG 1 39 GLN H . . 3.240 1.894 1.762 2.097 . 0 0 "[ . 1 . 2]" 1
378 1 39 GLN H 1 39 GLN HB2 . . 3.220 3.059 2.891 3.213 . 0 0 "[ . 1 . 2]" 1
379 1 39 GLN H 1 39 GLN HB3 . . 2.900 2.357 2.286 2.453 . 0 0 "[ . 1 . 2]" 1
380 1 39 GLN H 1 39 GLN HG2 . . 4.770 4.183 4.078 4.268 . 0 0 "[ . 1 . 2]" 1
381 1 39 GLN H 1 39 GLN QG . . 3.970 3.886 3.818 3.945 . 0 0 "[ . 1 . 2]" 1
382 1 39 GLN H 1 39 GLN HG3 . . 4.770 4.616 4.539 4.711 . 0 0 "[ . 1 . 2]" 1
383 1 39 GLN H 1 40 SER H . . 4.460 4.331 4.142 4.442 . 0 0 "[ . 1 . 2]" 1
384 1 39 GLN HA 1 39 GLN HG2 . . 4.050 3.319 3.126 3.430 . 0 0 "[ . 1 . 2]" 1
385 1 39 GLN HA 1 39 GLN QG . . 3.460 2.621 2.575 2.670 . 0 0 "[ . 1 . 2]" 1
386 1 39 GLN HA 1 39 GLN HG3 . . 4.050 2.749 2.678 2.825 . 0 0 "[ . 1 . 2]" 1
387 1 39 GLN HA 1 40 SER H . . 2.880 2.148 2.138 2.169 . 0 0 "[ . 1 . 2]" 1
388 1 39 GLN HA 1 80 THR HA . . 3.840 3.316 2.978 3.552 . 0 0 "[ . 1 . 2]" 1
389 1 39 GLN HA 1 80 THR MG . . 3.920 3.013 2.268 3.734 . 0 0 "[ . 1 . 2]" 1
390 1 39 GLN HB2 1 39 GLN HE21 . . 4.310 2.836 2.122 3.722 . 0 0 "[ . 1 . 2]" 1
391 1 39 GLN HB2 1 39 GLN QE . . 3.500 2.749 2.106 3.496 . 0 0 "[ . 1 . 2]" 1
392 1 39 GLN HB2 1 39 GLN HE22 . . 4.310 3.865 3.549 4.243 . 0 0 "[ . 1 . 2]" 1
393 1 39 GLN HB2 1 40 SER H . . 4.650 4.225 4.033 4.361 . 0 0 "[ . 1 . 2]" 1
394 1 39 GLN HB2 1 80 THR HB . . 4.520 4.440 4.095 4.521 0.001 14 0 "[ . 1 . 2]" 1
395 1 39 GLN HB3 1 39 GLN QE . . 3.840 3.112 2.130 3.734 . 0 0 "[ . 1 . 2]" 1
396 1 39 GLN HB3 1 40 SER H . . 4.730 4.435 4.320 4.508 . 0 0 "[ . 1 . 2]" 1
397 1 39 GLN QE 1 39 GLN QG . . 3.080 2.307 2.091 2.474 . 0 0 "[ . 1 . 2]" 1
398 1 39 GLN QG 1 40 SER H . . 3.330 3.091 2.756 3.328 . 0 0 "[ . 1 . 2]" 1
399 1 39 GLN HG2 1 40 SER H . . 3.960 3.623 3.123 3.941 . 0 0 "[ . 1 . 2]" 1
400 1 39 GLN HG3 1 40 SER H . . 3.960 3.369 2.916 3.593 . 0 0 "[ . 1 . 2]" 1
401 1 40 SER H 1 40 SER HB2 . . 3.790 2.845 2.244 3.631 . 0 0 "[ . 1 . 2]" 1
402 1 40 SER H 1 40 SER QB . . 3.190 2.577 2.220 2.983 . 0 0 "[ . 1 . 2]" 1
403 1 40 SER H 1 40 SER HB3 . . 3.790 3.459 2.735 3.793 0.003 2 0 "[ . 1 . 2]" 1
404 1 40 SER H 1 41 GLU H . . 4.600 4.552 4.483 4.597 . 0 0 "[ . 1 . 2]" 1
405 1 40 SER H 1 79 TYR H . . 3.690 3.569 3.316 3.683 . 0 0 "[ . 1 . 2]" 1
406 1 40 SER H 1 80 THR HA . . 4.110 3.778 3.159 4.083 . 0 0 "[ . 1 . 2]" 1
407 1 40 SER HA 1 41 GLU H . . 2.840 2.379 2.308 2.408 . 0 0 "[ . 1 . 2]" 1
408 1 40 SER QB 1 41 GLU H . . 3.270 2.471 2.390 2.630 . 0 0 "[ . 1 . 2]" 1
409 1 40 SER QB 1 79 TYR H . . 5.060 4.181 3.454 5.034 . 0 0 "[ . 1 . 2]" 1
410 1 40 SER QB 1 79 TYR QE . . 4.470 4.047 3.508 4.432 . 0 0 "[ . 1 . 2]" 1
411 1 40 SER HB2 1 41 GLU H . . 3.870 3.320 2.421 3.868 . 0 0 "[ . 1 . 2]" 1
412 1 40 SER HB3 1 41 GLU H . . 3.870 2.864 2.447 3.832 . 0 0 "[ . 1 . 2]" 1
413 1 41 GLU H 1 41 GLU HB2 . . 4.040 3.904 3.799 3.983 . 0 0 "[ . 1 . 2]" 1
414 1 41 GLU H 1 41 GLU HB3 . . 3.880 3.358 3.143 3.510 . 0 0 "[ . 1 . 2]" 1
415 1 41 GLU H 1 41 GLU HG2 . . 4.080 3.102 2.302 4.024 . 0 0 "[ . 1 . 2]" 1
416 1 41 GLU H 1 41 GLU QG . . 3.360 2.578 2.251 3.339 . 0 0 "[ . 1 . 2]" 1
417 1 41 GLU H 1 41 GLU HG3 . . 4.080 3.385 2.283 4.076 . 0 0 "[ . 1 . 2]" 1
418 1 41 GLU HA 1 42 PHE H . . 2.910 2.177 2.142 2.282 . 0 0 "[ . 1 . 2]" 1
419 1 41 GLU HA 1 78 MET HA . . 3.600 2.702 2.361 2.953 . 0 0 "[ . 1 . 2]" 1
420 1 41 GLU HA 1 78 MET QG . . 4.890 2.862 1.997 3.515 . 0 0 "[ . 1 . 2]" 1
421 1 41 GLU HB2 1 42 PHE H . . 3.740 3.155 2.736 3.373 . 0 0 "[ . 1 . 2]" 1
422 1 41 GLU HB2 1 76 LYS QE . . 4.000 2.515 1.876 3.915 . 0 0 "[ . 1 . 2]" 1
423 1 41 GLU HB2 1 76 LYS QG . . 3.230 2.659 2.238 3.093 . 0 0 "[ . 1 . 2]" 1
424 1 41 GLU HB2 1 77 VAL H . . 5.140 4.506 3.818 5.042 . 0 0 "[ . 1 . 2]" 1
425 1 41 GLU HB2 1 78 MET HG2 . . 4.090 3.017 2.266 3.565 . 0 0 "[ . 1 . 2]" 1
426 1 41 GLU HB2 1 78 MET HG3 . . 4.090 3.287 2.097 4.081 . 0 0 "[ . 1 . 2]" 1
427 1 41 GLU HB3 1 42 PHE H . . 4.300 4.126 3.905 4.292 . 0 0 "[ . 1 . 2]" 1
428 1 41 GLU HB3 1 76 LYS QE . . 4.570 3.173 2.142 4.428 . 0 0 "[ . 1 . 2]" 1
429 1 41 GLU HB3 1 78 MET HA . . 4.960 3.779 3.254 4.474 . 0 0 "[ . 1 . 2]" 1
430 1 41 GLU HB3 1 78 MET QG . . 3.140 2.079 1.924 2.211 . 0 0 "[ . 1 . 2]" 1
431 1 41 GLU QG 1 42 PHE H . . 5.340 4.215 3.624 4.573 . 0 0 "[ . 1 . 2]" 1
432 1 41 GLU QG 1 78 MET QG . . 4.030 3.779 3.338 4.017 . 0 0 "[ . 1 . 2]" 1
433 1 42 PHE H 1 42 PHE QD . . 4.090 2.930 2.591 3.185 . 0 0 "[ . 1 . 2]" 1
434 1 42 PHE H 1 43 PHE H . . 5.070 4.332 4.195 4.434 . 0 0 "[ . 1 . 2]" 1
435 1 42 PHE H 1 76 LYS QG . . 4.570 3.662 3.123 4.144 . 0 0 "[ . 1 . 2]" 1
436 1 42 PHE H 1 77 VAL H . . 3.620 3.175 2.909 3.605 . 0 0 "[ . 1 . 2]" 1
437 1 42 PHE H 1 77 VAL HB . . 4.210 3.952 3.194 4.194 . 0 0 "[ . 1 . 2]" 1
438 1 42 PHE H 1 77 VAL MG1 . . 4.810 4.638 4.308 4.800 . 0 0 "[ . 1 . 2]" 1
439 1 42 PHE H 1 78 MET HA . . 4.530 4.027 3.551 4.373 . 0 0 "[ . 1 . 2]" 1
440 1 42 PHE H 1 78 MET HG2 . . 5.500 4.878 4.058 5.489 . 0 0 "[ . 1 . 2]" 1
441 1 42 PHE H 1 78 MET QG . . 4.750 4.065 3.297 4.661 . 0 0 "[ . 1 . 2]" 1
442 1 42 PHE H 1 78 MET HG3 . . 5.500 4.493 3.346 5.379 . 0 0 "[ . 1 . 2]" 1
443 1 42 PHE HA 1 43 PHE H . . 3.480 2.175 2.140 2.287 . 0 0 "[ . 1 . 2]" 1
444 1 42 PHE HB2 1 43 PHE H . . 3.480 3.216 2.768 3.467 . 0 0 "[ . 1 . 2]" 1
445 1 42 PHE HB3 1 43 PHE H . . 4.550 4.268 4.026 4.401 . 0 0 "[ . 1 . 2]" 1
446 1 42 PHE QD 1 43 PHE H . . 3.930 3.611 3.157 3.918 . 0 0 "[ . 1 . 2]" 1
447 1 42 PHE QD 1 44 ILE HA . . 5.110 4.078 3.793 4.396 . 0 0 "[ . 1 . 2]" 1
448 1 42 PHE QD 1 44 ILE HG12 . . 4.780 3.441 3.017 3.927 . 0 0 "[ . 1 . 2]" 1
449 1 42 PHE QD 1 44 ILE HG13 . . 4.780 3.023 2.637 3.664 . 0 0 "[ . 1 . 2]" 1
450 1 42 PHE QD 1 77 VAL HB . . 5.280 3.624 3.364 3.911 . 0 0 "[ . 1 . 2]" 1
451 1 42 PHE QD 1 79 TYR QE . . 3.790 3.204 2.778 3.585 . 0 0 "[ . 1 . 2]" 1
452 1 42 PHE QD 1 89 ILE MD . . 4.270 4.019 3.656 4.267 . 0 0 "[ . 1 . 2]" 1
453 1 42 PHE QE 1 44 ILE MD . . 3.710 2.369 1.995 3.051 . 0 0 "[ . 1 . 2]" 1
454 1 42 PHE QE 1 44 ILE HG12 . . 4.640 2.526 2.017 3.147 . 0 0 "[ . 1 . 2]" 1
455 1 42 PHE QE 1 44 ILE HG13 . . 4.640 2.532 2.073 3.178 . 0 0 "[ . 1 . 2]" 1
456 1 42 PHE QE 1 56 VAL QG . . 4.250 3.725 3.293 4.136 . 0 0 "[ . 1 . 2]" 1
457 1 42 PHE QE 1 58 ILE MD . . 4.220 3.666 3.195 4.129 . 0 0 "[ . 1 . 2]" 1
458 1 42 PHE QE 1 77 VAL HB . . 4.690 2.670 2.280 2.926 . 0 0 "[ . 1 . 2]" 1
459 1 42 PHE QE 1 77 VAL MG2 . . 4.170 3.190 2.270 3.688 . 0 0 "[ . 1 . 2]" 1
460 1 42 PHE QE 1 79 TYR QD . . 3.970 3.258 2.547 3.765 . 0 0 "[ . 1 . 2]" 1
461 1 42 PHE QE 1 79 TYR QE . . 3.920 3.566 2.565 3.921 0.001 12 0 "[ . 1 . 2]" 1
462 1 42 PHE QE 1 89 ILE MD . . 4.030 3.476 2.749 4.021 . 0 0 "[ . 1 . 2]" 1
463 1 42 PHE QE 1 89 ILE MG . . 3.900 3.258 2.828 3.578 . 0 0 "[ . 1 . 2]" 1
464 1 42 PHE QE 1 91 VAL MG2 . . 3.940 3.576 3.029 3.911 . 0 0 "[ . 1 . 2]" 1
465 1 42 PHE HZ 1 44 ILE MD . . 4.430 3.478 2.826 3.998 . 0 0 "[ . 1 . 2]" 1
466 1 42 PHE HZ 1 56 VAL QG . . 3.830 3.011 2.545 3.589 . 0 0 "[ . 1 . 2]" 1
467 1 42 PHE HZ 1 77 VAL HB . . 5.500 2.869 2.524 3.431 . 0 0 "[ . 1 . 2]" 1
468 1 42 PHE HZ 1 77 VAL MG2 . . 4.100 2.816 2.092 3.320 . 0 0 "[ . 1 . 2]" 1
469 1 42 PHE HZ 1 89 ILE MG . . 3.660 3.253 2.811 3.549 . 0 0 "[ . 1 . 2]" 1
470 1 42 PHE HZ 1 91 VAL MG2 . . 4.080 3.672 3.212 4.072 . 0 0 "[ . 1 . 2]" 1
471 1 43 PHE H 1 43 PHE HB2 . . 3.890 2.495 2.240 2.820 . 0 0 "[ . 1 . 2]" 1
472 1 43 PHE H 1 43 PHE QB . . 3.220 2.452 2.216 2.733 . 0 0 "[ . 1 . 2]" 1
473 1 43 PHE H 1 43 PHE HB3 . . 3.890 3.639 3.528 3.723 . 0 0 "[ . 1 . 2]" 1
474 1 43 PHE H 1 43 PHE QD . . 3.890 2.554 1.900 3.355 . 0 0 "[ . 1 . 2]" 1
475 1 43 PHE H 1 44 ILE H . . 5.060 4.564 4.528 4.599 . 0 0 "[ . 1 . 2]" 1
476 1 43 PHE HA 1 43 PHE QD . . 3.790 2.825 2.227 3.234 . 0 0 "[ . 1 . 2]" 1
477 1 43 PHE HA 1 44 ILE H . . 2.950 2.331 2.187 2.489 . 0 0 "[ . 1 . 2]" 1
478 1 43 PHE HA 1 44 ILE HB . . 4.880 4.613 4.446 4.880 . 18 0 "[ . 1 . 2]" 1
479 1 43 PHE HA 1 76 LYS HA . . 4.290 2.709 2.368 3.492 . 0 0 "[ . 1 . 2]" 1
480 1 43 PHE HA 1 77 VAL H . . 4.310 3.881 3.501 4.297 . 0 0 "[ . 1 . 2]" 1
481 1 43 PHE QB 1 44 ILE H . . 3.830 2.604 2.217 3.074 . 0 0 "[ . 1 . 2]" 1
482 1 43 PHE QD 1 44 ILE H . . 4.430 3.776 2.975 4.428 . 0 0 "[ . 1 . 2]" 1
483 1 43 PHE QD 1 71 THR MG . . 4.250 3.487 2.469 4.231 . 0 0 "[ . 1 . 2]" 1
484 1 43 PHE QD 1 76 LYS HA . . 4.180 3.536 2.863 3.986 . 0 0 "[ . 1 . 2]" 1
485 1 43 PHE QD 1 76 LYS QB . . 4.070 2.752 2.136 3.814 . 0 0 "[ . 1 . 2]" 1
486 1 43 PHE QE 1 71 THR MG . . 4.260 2.854 2.038 4.123 . 0 0 "[ . 1 . 2]" 1
487 1 43 PHE QE 1 76 LYS QB . . 4.060 2.764 2.024 3.819 . 0 0 "[ . 1 . 2]" 1
488 1 43 PHE QE 1 76 LYS HD2 . . 4.590 2.877 2.001 4.322 . 0 0 "[ . 1 . 2]" 1
489 1 43 PHE QE 1 76 LYS QD . . 3.750 2.549 1.991 3.745 . 0 0 "[ . 1 . 2]" 1
490 1 43 PHE QE 1 76 LYS HD3 . . 4.590 3.694 2.060 4.554 . 0 0 "[ . 1 . 2]" 1
491 1 43 PHE QE 1 76 LYS QE . . 4.390 3.030 1.975 4.105 . 0 0 "[ . 1 . 2]" 1
492 1 43 PHE QE 1 76 LYS QG . . 4.510 3.124 2.390 4.078 . 0 0 "[ . 1 . 2]" 1
493 1 43 PHE HZ 1 76 LYS QD . . 4.690 3.416 2.283 4.608 . 0 0 "[ . 1 . 2]" 1
494 1 43 PHE HZ 1 76 LYS QE . . 4.520 2.974 2.009 4.321 . 0 0 "[ . 1 . 2]" 1
495 1 44 ILE H 1 44 ILE HB . . 3.460 2.620 2.409 2.798 . 0 0 "[ . 1 . 2]" 1
496 1 44 ILE H 1 44 ILE MD . . 4.330 3.835 3.501 4.227 . 0 0 "[ . 1 . 2]" 1
497 1 44 ILE H 1 44 ILE HG12 . . 4.240 4.022 3.524 4.187 . 0 0 "[ . 1 . 2]" 1
498 1 44 ILE H 1 44 ILE QG . . 3.640 2.725 2.100 2.984 . 0 0 "[ . 1 . 2]" 1
499 1 44 ILE H 1 44 ILE HG13 . . 4.240 2.774 2.116 3.057 . 0 0 "[ . 1 . 2]" 1
500 1 44 ILE H 1 44 ILE MG . . 4.170 3.829 3.730 3.918 . 0 0 "[ . 1 . 2]" 1
501 1 44 ILE H 1 45 ASN H . . 4.490 4.255 4.018 4.466 . 0 0 "[ . 1 . 2]" 1
502 1 44 ILE H 1 76 LYS HA . . 4.380 4.084 3.643 4.352 . 0 0 "[ . 1 . 2]" 1
503 1 44 ILE HA 1 44 ILE MD . . 4.610 3.864 3.788 3.956 . 0 0 "[ . 1 . 2]" 1
504 1 44 ILE HA 1 44 ILE MG . . 3.670 2.369 2.181 2.501 . 0 0 "[ . 1 . 2]" 1
505 1 44 ILE HA 1 45 ASN H . . 3.170 2.157 2.139 2.211 . 0 0 "[ . 1 . 2]" 1
506 1 44 ILE HB 1 45 ASN H . . 4.870 4.286 4.001 4.458 . 0 0 "[ . 1 . 2]" 1
507 1 44 ILE HB 1 75 TYR H . . 4.420 3.049 2.478 3.810 . 0 0 "[ . 1 . 2]" 1
508 1 44 ILE HB 1 75 TYR QB . . 3.860 3.049 2.023 3.844 . 0 0 "[ . 1 . 2]" 1
509 1 44 ILE HB 1 75 TYR QD . . 4.220 3.718 2.885 4.123 . 0 0 "[ . 1 . 2]" 1
510 1 44 ILE MD 1 44 ILE MG . . 2.990 2.174 1.927 2.393 . 0 0 "[ . 1 . 2]" 1
511 1 44 ILE MD 1 75 TYR QB . . 4.090 2.345 1.882 3.296 . 0 0 "[ . 1 . 2]" 1
512 1 44 ILE MD 1 75 TYR QD . . 4.170 2.942 1.834 3.699 . 0 0 "[ . 1 . 2]" 1
513 1 44 ILE QG 1 44 ILE MG . . 3.040 2.227 2.061 2.362 . 0 0 "[ . 1 . 2]" 1
514 1 44 ILE MG 1 45 ASN H . . 3.660 2.764 2.066 3.178 . 0 0 "[ . 1 . 2]" 1
515 1 44 ILE MG 1 75 TYR H . . 4.870 4.386 3.822 4.783 . 0 0 "[ . 1 . 2]" 1
516 1 44 ILE MG 1 75 TYR QD . . 4.320 3.899 2.999 4.284 . 0 0 "[ . 1 . 2]" 1
517 1 45 ASN H 1 45 ASN HB2 . . 3.640 2.395 2.203 2.824 . 0 0 "[ . 1 . 2]" 1
518 1 45 ASN H 1 45 ASN QB . . 3.120 2.225 2.157 2.346 . 0 0 "[ . 1 . 2]" 1
519 1 45 ASN H 1 45 ASN HB3 . . 3.640 2.771 2.279 3.507 . 0 0 "[ . 1 . 2]" 1
520 1 45 ASN HA 1 45 ASN HD21 . . 4.850 3.639 2.196 4.422 . 0 0 "[ . 1 . 2]" 1
521 1 45 ASN HA 1 45 ASN QD . . 4.130 3.397 2.171 4.035 . 0 0 "[ . 1 . 2]" 1
522 1 45 ASN HA 1 45 ASN HD22 . . 4.850 4.158 3.410 4.786 . 0 0 "[ . 1 . 2]" 1
523 1 45 ASN HA 1 46 THR HA . . 5.060 4.429 4.383 4.590 . 0 0 "[ . 1 . 2]" 1
524 1 45 ASN HA 1 47 THR H . . 3.900 3.531 3.245 3.890 . 0 0 "[ . 1 . 2]" 1
525 1 46 THR H 1 47 THR H . . 4.050 2.717 1.974 3.290 . 0 0 "[ . 1 . 2]" 1
526 1 46 THR HA 1 46 THR MG . . 3.570 2.907 2.039 3.205 . 0 0 "[ . 1 . 2]" 1
527 1 46 THR HA 1 48 ARG H . . 4.390 3.630 3.123 4.219 . 0 0 "[ . 1 . 2]" 1
528 1 46 THR HA 1 49 ALA H . . 3.890 3.180 2.754 3.655 . 0 0 "[ . 1 . 2]" 1
529 1 46 THR HA 1 49 ALA MB . . 3.980 2.734 2.058 3.284 . 0 0 "[ . 1 . 2]" 1
530 1 47 THR H 1 47 THR HB . . 3.890 3.570 2.290 3.726 . 0 0 "[ . 1 . 2]" 1
531 1 47 THR H 1 47 THR HG1 . . 4.060 2.548 1.907 4.063 0.003 11 0 "[ . 1 . 2]" 1
532 1 47 THR H 1 47 THR MG . . 3.260 2.599 1.896 3.040 . 0 0 "[ . 1 . 2]" 1
533 1 47 THR H 1 48 ARG H . . 3.740 2.281 1.875 2.649 . 0 0 "[ . 1 . 2]" 1
534 1 47 THR H 1 49 ALA H . . 4.980 3.636 3.137 4.055 . 0 0 "[ . 1 . 2]" 1
535 1 47 THR HA 1 47 THR MG . . 3.200 2.387 2.154 3.168 . 0 0 "[ . 1 . 2]" 1
536 1 47 THR HA 1 49 ALA H . . 4.610 4.315 3.847 4.607 . 0 0 "[ . 1 . 2]" 1
537 1 47 THR HB 1 48 ARG H . . 4.210 3.868 3.456 4.181 . 0 0 "[ . 1 . 2]" 1
538 1 47 THR MG 1 73 GLU HA . . 3.370 3.058 2.552 3.349 . 0 0 "[ . 1 . 2]" 1
539 1 47 THR MG 1 73 GLU QB . . 4.910 3.904 2.900 4.550 . 0 0 "[ . 1 . 2]" 1
540 1 47 THR MG 1 73 GLU HG2 . . 4.520 3.839 3.000 4.514 . 0 0 "[ . 1 . 2]" 1
541 1 47 THR MG 1 73 GLU QG . . 3.770 2.994 2.242 3.731 . 0 0 "[ . 1 . 2]" 1
542 1 47 THR MG 1 73 GLU HG3 . . 4.520 3.241 2.270 4.371 . 0 0 "[ . 1 . 2]" 1
543 1 48 ARG H 1 48 ARG HB2 . . 3.760 2.672 2.213 3.725 . 0 0 "[ . 1 . 2]" 1
544 1 48 ARG H 1 48 ARG HB3 . . 3.760 3.397 2.422 3.694 . 0 0 "[ . 1 . 2]" 1
545 1 48 ARG H 1 48 ARG QD . . 4.610 3.934 1.978 4.521 . 0 0 "[ . 1 . 2]" 1
546 1 48 ARG H 1 48 ARG HG2 . . 4.070 3.278 1.884 4.071 0.001 19 0 "[ . 1 . 2]" 1
547 1 48 ARG H 1 48 ARG QG . . 3.450 2.734 1.876 3.342 . 0 0 "[ . 1 . 2]" 1
548 1 48 ARG H 1 48 ARG HG3 . . 4.070 3.278 1.914 4.030 . 0 0 "[ . 1 . 2]" 1
549 1 48 ARG H 1 49 ALA H . . 3.240 2.233 1.812 2.493 . 0 0 "[ . 1 . 2]" 1
550 1 48 ARG H 1 49 ALA MB . . 4.420 3.888 3.402 4.167 . 0 0 "[ . 1 . 2]" 1
551 1 48 ARG H 1 50 GLY H . . 4.710 4.151 3.815 4.448 . 0 0 "[ . 1 . 2]" 1
552 1 48 ARG HA 1 48 ARG QD . . 4.020 3.274 2.010 4.141 0.121 13 0 "[ . 1 . 2]" 1
553 1 48 ARG HA 1 48 ARG HG2 . . 4.050 2.891 2.228 4.204 0.154 11 0 "[ . 1 . 2]" 1
554 1 48 ARG HA 1 48 ARG QG . . 3.470 2.653 2.179 3.414 . 0 0 "[ . 1 . 2]" 1
555 1 48 ARG HA 1 48 ARG HG3 . . 4.050 3.473 2.285 4.195 0.145 7 0 "[ . 1 . 2]" 1
556 1 48 ARG QB 1 48 ARG QD . . 3.030 2.194 2.010 2.610 . 0 0 "[ . 1 . 2]" 1
557 1 48 ARG QB 1 49 ALA H . . 4.200 3.069 2.717 3.832 . 0 0 "[ . 1 . 2]" 1
558 1 48 ARG HB2 1 48 ARG QD . . 3.590 2.833 2.042 3.458 . 0 0 "[ . 1 . 2]" 1
559 1 48 ARG HB3 1 48 ARG QD . . 3.590 2.463 2.093 3.508 . 0 0 "[ . 1 . 2]" 1
560 1 49 ALA H 1 49 ALA MB . . 3.280 2.166 2.034 2.314 . 0 0 "[ . 1 . 2]" 1
561 1 49 ALA H 1 50 GLY H . . 3.300 2.585 2.320 2.891 . 0 0 "[ . 1 . 2]" 1
562 1 49 ALA MB 1 50 GLY H . . 3.620 2.444 2.002 2.682 . 0 0 "[ . 1 . 2]" 1
563 1 49 ALA MB 1 93 TYR QE . . 4.060 3.130 2.244 4.020 . 0 0 "[ . 1 . 2]" 1
564 1 50 GLY H 1 51 PRO QD . . 4.510 4.010 3.409 4.315 . 0 0 "[ . 1 . 2]" 1
565 1 50 GLY HA2 1 51 PRO QD . . 3.490 2.246 2.011 3.401 . 0 0 "[ . 1 . 2]" 1
566 1 50 GLY HA3 1 51 PRO QD . . 3.490 2.478 2.024 2.705 . 0 0 "[ . 1 . 2]" 1
567 1 52 GLY QA 1 53 THR HA . . 5.320 3.961 3.932 4.049 . 0 0 "[ . 1 . 2]" 1
568 1 53 THR H 1 53 THR HB . . 4.080 3.041 2.405 3.811 . 0 0 "[ . 1 . 2]" 1
569 1 54 LEU HA 1 54 LEU MD2 . . 4.270 3.238 1.968 4.109 . 0 0 "[ . 1 . 2]" 1
570 1 54 LEU MD2 1 55 SER H . . 4.520 3.525 2.109 4.519 . 0 0 "[ . 1 . 2]" 1
571 1 54 LEU MD2 1 75 TYR QD . . 3.610 2.847 2.062 3.609 . 0 0 "[ . 1 . 2]" 1
572 1 55 SER H 1 55 SER QB . . 3.740 2.593 2.410 3.162 . 0 0 "[ . 1 . 2]" 1
573 1 55 SER HA 1 56 VAL H . . 3.510 2.168 2.138 2.253 . 0 0 "[ . 1 . 2]" 1
574 1 55 SER QB 1 56 VAL H . . 4.070 3.494 2.785 3.973 . 0 0 "[ . 1 . 2]" 1
575 1 55 SER QB 1 92 LYS H . . 4.110 3.279 2.279 3.984 . 0 0 "[ . 1 . 2]" 1
576 1 55 SER QB 1 92 LYS HB2 . . 4.090 2.604 2.103 3.908 . 0 0 "[ . 1 . 2]" 1
577 1 55 SER QB 1 92 LYS QB . . 3.590 2.470 2.083 3.554 . 0 0 "[ . 1 . 2]" 1
578 1 55 SER QB 1 92 LYS HB3 . . 4.090 3.639 2.241 4.084 . 0 0 "[ . 1 . 2]" 1
579 1 56 VAL H 1 56 VAL QG . . 4.010 2.300 1.884 2.971 . 0 0 "[ . 1 . 2]" 1
580 1 56 VAL H 1 57 THR H . . 4.890 4.299 3.963 4.511 . 0 0 "[ . 1 . 2]" 1
581 1 56 VAL HA 1 57 THR H . . 2.930 2.172 2.141 2.258 . 0 0 "[ . 1 . 2]" 1
582 1 56 VAL QG 1 57 THR H . . 3.380 2.667 1.889 3.381 0.001 9 0 "[ . 1 . 2]" 1
583 1 56 VAL QG 1 58 ILE H . . 5.230 4.117 3.700 4.602 . 0 0 "[ . 1 . 2]" 1
584 1 56 VAL QG 1 89 ILE MG . . 3.690 3.069 2.643 3.576 . 0 0 "[ . 1 . 2]" 1
585 1 56 VAL QG 1 90 SER H . . 5.360 4.332 3.342 5.248 . 0 0 "[ . 1 . 2]" 1
586 1 57 THR H 1 57 THR HB . . 3.540 2.853 2.608 2.995 . 0 0 "[ . 1 . 2]" 1
587 1 57 THR H 1 57 THR MG . . 4.290 3.935 3.835 3.987 . 0 0 "[ . 1 . 2]" 1
588 1 57 THR H 1 58 ILE H . . 4.800 4.244 4.017 4.400 . 0 0 "[ . 1 . 2]" 1
589 1 57 THR H 1 90 SER H . . 3.890 3.266 2.617 3.739 . 0 0 "[ . 1 . 2]" 1
590 1 57 THR HA 1 57 THR MG . . 3.480 2.322 2.095 2.478 . 0 0 "[ . 1 . 2]" 1
591 1 57 THR HA 1 58 ILE H . . 3.400 2.179 2.141 2.279 . 0 0 "[ . 1 . 2]" 1
592 1 57 THR HB 1 58 ILE H . . 4.300 4.091 3.788 4.297 . 0 0 "[ . 1 . 2]" 1
593 1 57 THR HB 1 90 SER H . . 4.690 3.774 2.679 4.500 . 0 0 "[ . 1 . 2]" 1
594 1 57 THR MG 1 58 ILE H . . 3.900 2.475 1.971 2.979 . 0 0 "[ . 1 . 2]" 1
595 1 58 ILE H 1 58 ILE HB . . 4.090 2.673 2.474 2.850 . 0 0 "[ . 1 . 2]" 1
596 1 58 ILE H 1 58 ILE QG . . 4.410 2.650 2.080 3.054 . 0 0 "[ . 1 . 2]" 1
597 1 58 ILE H 1 58 ILE MG . . 4.720 3.854 3.771 3.935 . 0 0 "[ . 1 . 2]" 1
598 1 58 ILE HA 1 58 ILE MD . . 4.670 3.866 3.736 3.928 . 0 0 "[ . 1 . 2]" 1
599 1 58 ILE HA 1 58 ILE MG . . 3.710 2.315 2.143 2.470 . 0 0 "[ . 1 . 2]" 1
600 1 58 ILE HA 1 59 GLU H . . 3.180 2.216 2.145 2.306 . 0 0 "[ . 1 . 2]" 1
601 1 58 ILE HA 1 89 ILE HA . . 4.600 2.555 2.386 2.752 . 0 0 "[ . 1 . 2]" 1
602 1 58 ILE HA 1 90 SER H . . 4.370 3.460 3.056 3.900 . 0 0 "[ . 1 . 2]" 1
603 1 58 ILE HB 1 64 VAL MG2 . . 3.640 3.225 2.634 3.640 . 0 0 "[ . 1 . 2]" 1
604 1 58 ILE MD 1 58 ILE MG . . 3.140 2.102 1.907 2.340 . 0 0 "[ . 1 . 2]" 1
605 1 58 ILE MD 1 66 MET ME . . 3.830 2.790 1.919 3.761 . 0 0 "[ . 1 . 2]" 1
606 1 58 ILE MD 1 66 MET HG2 . . 4.780 2.320 1.840 3.268 . 0 0 "[ . 1 . 2]" 1
607 1 58 ILE MD 1 66 MET QG . . 4.170 2.108 1.811 2.564 . 0 0 "[ . 1 . 2]" 1
608 1 58 ILE MD 1 66 MET HG3 . . 4.780 2.787 2.072 3.492 . 0 0 "[ . 1 . 2]" 1
609 1 58 ILE MD 1 79 TYR HB2 . . 4.420 3.248 2.794 3.824 . 0 0 "[ . 1 . 2]" 1
610 1 58 ILE MD 1 79 TYR QB . . 3.860 2.678 2.302 3.252 . 0 0 "[ . 1 . 2]" 1
611 1 58 ILE MD 1 79 TYR HB3 . . 4.420 2.860 2.451 3.520 . 0 0 "[ . 1 . 2]" 1
612 1 58 ILE MD 1 79 TYR QD . . 4.100 3.015 2.431 3.361 . 0 0 "[ . 1 . 2]" 1
613 1 58 ILE QG 1 58 ILE MG . . 3.120 2.271 2.123 2.429 . 0 0 "[ . 1 . 2]" 1
614 1 58 ILE QG 1 59 GLU H . . 4.460 4.075 3.936 4.209 . 0 0 "[ . 1 . 2]" 1
615 1 58 ILE QG 1 89 ILE HA . . 4.710 2.936 2.389 3.334 . 0 0 "[ . 1 . 2]" 1
616 1 58 ILE QG 1 89 ILE QG . . 4.080 2.288 1.993 2.790 . 0 0 "[ . 1 . 2]" 1
617 1 58 ILE QG 1 90 SER H . . 5.340 3.992 3.572 4.343 . 0 0 "[ . 1 . 2]" 1
618 1 58 ILE HG12 1 59 GLU H . . 5.070 4.346 4.111 4.570 . 0 0 "[ . 1 . 2]" 1
619 1 58 ILE HG12 1 89 ILE MG . . 3.830 2.545 2.205 3.076 . 0 0 "[ . 1 . 2]" 1
620 1 58 ILE HG13 1 59 GLU H . . 5.070 4.938 4.747 5.064 . 0 0 "[ . 1 . 2]" 1
621 1 58 ILE HG13 1 89 ILE MG . . 3.830 3.436 2.887 3.813 . 0 0 "[ . 1 . 2]" 1
622 1 58 ILE MG 1 59 GLU H . . 3.740 2.207 1.870 2.713 . 0 0 "[ . 1 . 2]" 1
623 1 58 ILE MG 1 87 TYR HB2 . . 4.630 4.297 3.864 4.558 . 0 0 "[ . 1 . 2]" 1
624 1 58 ILE MG 1 87 TYR HB3 . . 3.850 2.948 2.607 3.162 . 0 0 "[ . 1 . 2]" 1
625 1 58 ILE MG 1 87 TYR QD . . 3.610 2.528 2.250 2.756 . 0 0 "[ . 1 . 2]" 1
626 1 58 ILE MG 1 88 LEU H . . 4.320 3.255 2.856 3.725 . 0 0 "[ . 1 . 2]" 1
627 1 58 ILE MG 1 88 LEU HA . . 5.500 4.775 4.439 5.203 . 0 0 "[ . 1 . 2]" 1
628 1 58 ILE MG 1 89 ILE QG . . 3.810 2.530 2.001 2.899 . 0 0 "[ . 1 . 2]" 1
629 1 58 ILE MG 1 90 SER H . . 5.320 4.927 4.251 5.272 . 0 0 "[ . 1 . 2]" 1
630 1 59 GLU H 1 59 GLU HB2 . . 4.150 2.783 2.395 3.880 . 0 0 "[ . 1 . 2]" 1
631 1 59 GLU H 1 59 GLU QB . . 3.630 2.539 2.361 2.817 . 0 0 "[ . 1 . 2]" 1
632 1 59 GLU H 1 59 GLU HB3 . . 4.150 3.280 2.754 3.732 . 0 0 "[ . 1 . 2]" 1
633 1 59 GLU H 1 59 GLU QG . . 4.240 3.593 2.561 4.233 . 0 0 "[ . 1 . 2]" 1
634 1 59 GLU H 1 87 TYR HA . . 4.680 4.484 4.318 4.635 . 0 0 "[ . 1 . 2]" 1
635 1 59 GLU H 1 88 LEU H . . 3.730 2.600 2.435 2.766 . 0 0 "[ . 1 . 2]" 1
636 1 59 GLU H 1 88 LEU HB2 . . 4.610 4.383 4.090 4.609 . 0 0 "[ . 1 . 2]" 1
637 1 59 GLU H 1 88 LEU HB3 . . 4.610 3.265 2.933 3.594 . 0 0 "[ . 1 . 2]" 1
638 1 59 GLU H 1 88 LEU QD . . 4.840 4.430 4.065 4.736 . 0 0 "[ . 1 . 2]" 1
639 1 59 GLU H 1 89 ILE HA . . 3.930 3.820 3.639 3.943 0.013 16 0 "[ . 1 . 2]" 1
640 1 59 GLU HA 1 60 GLY H . . 3.410 2.351 2.159 2.611 . 0 0 "[ . 1 . 2]" 1
641 1 59 GLU QB 1 60 GLY H . . 4.040 2.882 2.161 3.666 . 0 0 "[ . 1 . 2]" 1
642 1 59 GLU QB 1 88 LEU H . . 4.560 3.125 2.635 3.792 . 0 0 "[ . 1 . 2]" 1
643 1 59 GLU QB 1 88 LEU QB . . 3.510 2.343 1.978 2.840 . 0 0 "[ . 1 . 2]" 1
644 1 59 GLU HB2 1 60 GLY H . . 4.650 3.858 2.355 4.387 . 0 0 "[ . 1 . 2]" 1
645 1 59 GLU HB2 1 88 LEU HB2 . . 4.630 3.932 3.252 4.661 0.031 16 0 "[ . 1 . 2]" 1
646 1 59 GLU HB2 1 88 LEU HB3 . . 4.630 2.848 2.206 4.256 . 0 0 "[ . 1 . 2]" 1
647 1 59 GLU HB3 1 60 GLY H . . 4.650 3.121 2.177 3.930 . 0 0 "[ . 1 . 2]" 1
648 1 59 GLU HB3 1 88 LEU HB2 . . 4.630 3.806 2.630 4.631 0.001 10 0 "[ . 1 . 2]" 1
649 1 59 GLU HB3 1 88 LEU HB3 . . 4.630 3.199 2.100 4.232 . 0 0 "[ . 1 . 2]" 1
650 1 60 GLY QA 1 61 PRO QD . . 2.870 2.029 2.009 2.035 . 0 0 "[ . 1 . 2]" 1
651 1 60 GLY QA 1 61 PRO HG2 . . 4.260 4.049 4.032 4.059 . 0 0 "[ . 1 . 2]" 1
652 1 60 GLY QA 1 61 PRO HG3 . . 4.330 4.272 4.264 4.277 . 0 0 "[ . 1 . 2]" 1
653 1 60 GLY QA 1 87 TYR HA . . 3.660 2.582 2.286 2.765 . 0 0 "[ . 1 . 2]" 1
654 1 60 GLY QA 1 87 TYR QD . . 4.240 3.088 2.755 3.340 . 0 0 "[ . 1 . 2]" 1
655 1 60 GLY HA2 1 61 PRO HD2 . . 3.730 2.723 2.634 2.851 . 0 0 "[ . 1 . 2]" 1
656 1 60 GLY HA2 1 61 PRO HD3 . . 3.730 2.481 2.420 2.578 . 0 0 "[ . 1 . 2]" 1
657 1 60 GLY HA2 1 61 PRO HG2 . . 4.900 4.780 4.705 4.890 . 0 0 "[ . 1 . 2]" 1
658 1 60 GLY HA2 1 61 PRO HG3 . . 4.970 4.699 4.629 4.804 . 0 0 "[ . 1 . 2]" 1
659 1 60 GLY HA2 1 87 TYR HA . . 4.260 2.778 2.388 3.041 . 0 0 "[ . 1 . 2]" 1
660 1 60 GLY HA2 1 87 TYR QD . . 4.840 4.141 3.886 4.389 . 0 0 "[ . 1 . 2]" 1
661 1 60 GLY HA2 1 88 LEU H . . 4.510 4.115 3.783 4.334 . 0 0 "[ . 1 . 2]" 1
662 1 60 GLY HA3 1 61 PRO HD2 . . 3.730 2.314 2.203 2.394 . 0 0 "[ . 1 . 2]" 1
663 1 60 GLY HA3 1 61 PRO HD3 . . 3.730 3.198 3.074 3.283 . 0 0 "[ . 1 . 2]" 1
664 1 60 GLY HA3 1 61 PRO HG2 . . 4.900 4.375 4.294 4.436 . 0 0 "[ . 1 . 2]" 1
665 1 60 GLY HA3 1 61 PRO HG3 . . 4.970 4.911 4.798 4.991 0.021 16 0 "[ . 1 . 2]" 1
666 1 60 GLY HA3 1 87 TYR HA . . 4.260 3.086 2.922 3.239 . 0 0 "[ . 1 . 2]" 1
667 1 60 GLY HA3 1 87 TYR QD . . 4.840 3.193 2.806 3.484 . 0 0 "[ . 1 . 2]" 1
668 1 60 GLY HA3 1 88 LEU H . . 4.510 4.319 4.109 4.482 . 0 0 "[ . 1 . 2]" 1
669 1 61 PRO QB 1 62 SER H . . 3.840 3.180 2.861 3.506 . 0 0 "[ . 1 . 2]" 1
670 1 61 PRO QB 1 83 ALA MB . . 4.350 4.042 3.807 4.276 . 0 0 "[ . 1 . 2]" 1
671 1 61 PRO HB2 1 62 SER H . . 4.390 3.309 2.941 3.698 . 0 0 "[ . 1 . 2]" 1
672 1 61 PRO HB3 1 62 SER H . . 4.390 4.126 3.914 4.351 . 0 0 "[ . 1 . 2]" 1
673 1 61 PRO QD 1 62 SER H . . 3.790 2.621 2.601 2.709 . 0 0 "[ . 1 . 2]" 1
674 1 61 PRO QD 1 85 GLY HA2 . . 5.140 4.843 4.652 5.086 . 0 0 "[ . 1 . 2]" 1
675 1 61 PRO QD 1 85 GLY HA3 . . 4.300 3.450 3.247 3.656 . 0 0 "[ . 1 . 2]" 1
676 1 61 PRO QD 1 86 ASN H . . 3.880 2.818 2.405 3.111 . 0 0 "[ . 1 . 2]" 1
677 1 61 PRO QD 1 87 TYR HA . . 4.830 3.560 3.386 3.800 . 0 0 "[ . 1 . 2]" 1
678 1 61 PRO QD 1 87 TYR QE . . 4.000 2.761 2.442 3.190 . 0 0 "[ . 1 . 2]" 1
679 1 61 PRO HD2 1 85 GLY HA3 . . 4.900 4.018 3.779 4.228 . 0 0 "[ . 1 . 2]" 1
680 1 61 PRO HD2 1 86 ASN H . . 4.460 3.813 3.457 4.124 . 0 0 "[ . 1 . 2]" 1
681 1 61 PRO HD3 1 85 GLY HA3 . . 4.900 3.764 3.498 4.002 . 0 0 "[ . 1 . 2]" 1
682 1 61 PRO HD3 1 86 ASN H . . 4.460 2.906 2.452 3.218 . 0 0 "[ . 1 . 2]" 1
683 1 61 PRO HG2 1 62 SER H . . 4.160 2.353 1.954 2.881 . 0 0 "[ . 1 . 2]" 1
684 1 61 PRO HG2 1 62 SER QB . . 4.590 3.237 3.069 3.443 . 0 0 "[ . 1 . 2]" 1
685 1 61 PRO HG2 1 85 GLY HA3 . . 4.180 3.465 3.135 3.864 . 0 0 "[ . 1 . 2]" 1
686 1 61 PRO HG2 1 86 ASN H . . 4.660 4.408 3.941 4.626 . 0 0 "[ . 1 . 2]" 1
687 1 61 PRO HG2 1 87 TYR HH . . 4.650 3.197 2.687 3.779 . 0 0 "[ . 1 . 2]" 1
688 1 61 PRO HG3 1 85 GLY HA2 . . 4.280 3.902 3.602 4.270 . 0 0 "[ . 1 . 2]" 1
689 1 61 PRO HG3 1 85 GLY HA3 . . 3.960 2.304 2.013 2.686 . 0 0 "[ . 1 . 2]" 1
690 1 61 PRO HG3 1 86 ASN H . . 3.980 2.992 2.539 3.281 . 0 0 "[ . 1 . 2]" 1
691 1 62 SER H 1 62 SER QB . . 3.570 2.473 2.344 2.635 . 0 0 "[ . 1 . 2]" 1
692 1 62 SER H 1 63 LYS H . . 4.540 4.281 3.854 4.528 . 0 0 "[ . 1 . 2]" 1
693 1 62 SER H 1 83 ALA MB . . 4.630 4.322 3.967 4.527 . 0 0 "[ . 1 . 2]" 1
694 1 62 SER H 1 87 TYR QD . . 5.040 4.977 4.921 5.038 . 0 0 "[ . 1 . 2]" 1
695 1 62 SER H 1 87 TYR QE . . 3.830 3.567 3.394 3.750 . 0 0 "[ . 1 . 2]" 1
696 1 62 SER H 1 87 TYR HH . . 4.490 3.399 2.842 3.917 . 0 0 "[ . 1 . 2]" 1
697 1 62 SER QB 1 82 MET QB . . 3.630 3.337 2.898 3.634 0.004 7 0 "[ . 1 . 2]" 1
698 1 62 SER QB 1 83 ALA H . . 3.900 2.896 2.379 3.269 . 0 0 "[ . 1 . 2]" 1
699 1 62 SER QB 1 83 ALA MB . . 3.070 2.438 2.054 2.885 . 0 0 "[ . 1 . 2]" 1
700 1 62 SER HB2 1 63 LYS H . . 4.790 4.320 3.719 4.640 . 0 0 "[ . 1 . 2]" 1
701 1 62 SER HB2 1 64 VAL MG1 . . 4.530 4.306 4.034 4.548 0.018 16 0 "[ . 1 . 2]" 1
702 1 62 SER HB2 1 83 ALA MB . . 3.650 2.531 2.070 3.077 . 0 0 "[ . 1 . 2]" 1
703 1 62 SER HB3 1 63 LYS H . . 4.790 3.471 2.454 4.352 . 0 0 "[ . 1 . 2]" 1
704 1 62 SER HB3 1 64 VAL MG1 . . 4.530 3.886 2.929 4.497 . 0 0 "[ . 1 . 2]" 1
705 1 62 SER HB3 1 83 ALA MB . . 3.650 3.299 2.666 3.649 . 0 0 "[ . 1 . 2]" 1
706 1 63 LYS HA 1 64 VAL H . . 3.150 2.243 2.142 2.436 . 0 0 "[ . 1 . 2]" 1
707 1 63 LYS QB 1 63 LYS QE . . 4.510 3.131 1.977 3.779 . 0 0 "[ . 1 . 2]" 1
708 1 63 LYS QB 1 64 VAL H . . 3.860 3.235 2.355 3.901 0.041 16 0 "[ . 1 . 2]" 1
709 1 63 LYS HB2 1 64 VAL H . . 4.690 3.924 2.500 4.505 . 0 0 "[ . 1 . 2]" 1
710 1 63 LYS HB3 1 64 VAL H . . 4.690 3.649 2.380 4.465 . 0 0 "[ . 1 . 2]" 1
711 1 63 LYS QD 1 64 VAL H . . 5.150 3.729 2.256 5.161 0.011 19 0 "[ . 1 . 2]" 1
712 1 64 VAL H 1 64 VAL MG1 . . 3.490 2.882 2.383 3.291 . 0 0 "[ . 1 . 2]" 1
713 1 64 VAL H 1 64 VAL MG2 . . 3.310 2.080 1.894 2.376 . 0 0 "[ . 1 . 2]" 1
714 1 64 VAL HA 1 64 VAL MG1 . . 3.530 2.330 2.147 2.474 . 0 0 "[ . 1 . 2]" 1
715 1 64 VAL HB 1 65 LYS H . . 4.650 2.919 2.419 3.993 . 0 0 "[ . 1 . 2]" 1
716 1 64 VAL HB 1 79 TYR HA . . 4.850 3.994 3.573 4.538 . 0 0 "[ . 1 . 2]" 1
717 1 64 VAL HB 1 79 TYR HB2 . . 4.840 2.920 2.271 3.270 . 0 0 "[ . 1 . 2]" 1
718 1 64 VAL HB 1 79 TYR QB . . 4.120 2.886 2.257 3.221 . 0 0 "[ . 1 . 2]" 1
719 1 64 VAL HB 1 79 TYR HB3 . . 4.840 4.555 3.903 4.839 . 0 0 "[ . 1 . 2]" 1
720 1 64 VAL HB 1 79 TYR QD . . 4.100 3.721 2.965 4.091 . 0 0 "[ . 1 . 2]" 1
721 1 64 VAL HB 1 81 PRO HA . . 5.100 3.964 3.411 4.318 . 0 0 "[ . 1 . 2]" 1
722 1 64 VAL MG1 1 79 TYR QD . . 3.800 3.112 2.702 3.664 . 0 0 "[ . 1 . 2]" 1
723 1 64 VAL MG1 1 81 PRO HA . . 3.320 1.978 1.842 2.211 . 0 0 "[ . 1 . 2]" 1
724 1 64 VAL MG1 1 81 PRO HB2 . . 4.190 3.933 3.426 4.181 . 0 0 "[ . 1 . 2]" 1
725 1 64 VAL MG1 1 81 PRO HB3 . . 3.940 2.899 2.120 3.300 . 0 0 "[ . 1 . 2]" 1
726 1 64 VAL MG1 1 82 MET H . . 4.490 3.033 2.592 3.563 . 0 0 "[ . 1 . 2]" 1
727 1 64 VAL MG1 1 83 ALA H . . 4.580 4.397 4.172 4.578 . 0 0 "[ . 1 . 2]" 1
728 1 64 VAL MG1 1 87 TYR QE . . 3.620 2.122 1.819 2.637 . 0 0 "[ . 1 . 2]" 1
729 1 64 VAL MG2 1 66 MET HG2 . . 4.170 3.656 2.753 4.121 . 0 0 "[ . 1 . 2]" 1
730 1 64 VAL MG2 1 66 MET QG . . 3.640 2.801 2.261 3.479 . 0 0 "[ . 1 . 2]" 1
731 1 64 VAL MG2 1 66 MET HG3 . . 4.170 2.992 2.281 3.821 . 0 0 "[ . 1 . 2]" 1
732 1 64 VAL MG2 1 79 TYR HA . . 4.690 4.189 3.728 4.607 . 0 0 "[ . 1 . 2]" 1
733 1 64 VAL MG2 1 79 TYR HB2 . . 4.090 2.515 2.033 2.849 . 0 0 "[ . 1 . 2]" 1
734 1 64 VAL MG2 1 79 TYR QB . . 3.540 2.467 2.010 2.781 . 0 0 "[ . 1 . 2]" 1
735 1 64 VAL MG2 1 79 TYR HB3 . . 4.090 3.601 3.151 3.992 . 0 0 "[ . 1 . 2]" 1
736 1 64 VAL MG2 1 79 TYR QD . . 4.010 3.428 2.832 3.880 . 0 0 "[ . 1 . 2]" 1
737 1 64 VAL MG2 1 87 TYR QE . . 4.100 3.133 1.979 3.861 . 0 0 "[ . 1 . 2]" 1
738 1 65 LYS HA 1 65 LYS HG2 . . 4.200 3.212 2.251 4.211 0.011 17 0 "[ . 1 . 2]" 1
739 1 65 LYS HA 1 65 LYS HG3 . . 4.200 3.240 2.258 4.203 0.003 20 0 "[ . 1 . 2]" 1
740 1 65 LYS HA 1 66 MET H . . 3.170 2.295 2.148 2.971 . 0 0 "[ . 1 . 2]" 1
741 1 65 LYS QB 1 66 MET H . . 4.350 3.571 2.812 4.054 . 0 0 "[ . 1 . 2]" 1
742 1 66 MET H 1 66 MET QG . . 4.890 2.900 1.900 3.890 . 0 0 "[ . 1 . 2]" 1
743 1 66 MET HA 1 67 ASP H . . 3.220 2.250 2.140 2.628 . 0 0 "[ . 1 . 2]" 1
744 1 66 MET HA 1 79 TYR HA . . 3.570 3.230 2.336 3.542 . 0 0 "[ . 1 . 2]" 1
745 1 66 MET HA 1 79 TYR HB2 . . 4.360 4.132 3.079 4.366 0.006 11 0 "[ . 1 . 2]" 1
746 1 66 MET HA 1 79 TYR HB3 . . 4.360 3.758 2.931 4.307 . 0 0 "[ . 1 . 2]" 1
747 1 66 MET QB 1 66 MET ME . . 3.200 2.575 1.938 3.202 0.002 2 0 "[ . 1 . 2]" 1
748 1 66 MET QB 1 66 MET QG . . 2.360 2.040 1.983 2.085 . 0 0 "[ . 1 . 2]" 1
749 1 66 MET QB 1 67 ASP H . . 4.230 2.988 1.977 3.618 . 0 0 "[ . 1 . 2]" 1
750 1 66 MET HB2 1 67 ASP H . . 4.910 3.788 1.988 4.537 . 0 0 "[ . 1 . 2]" 1
751 1 66 MET HB3 1 67 ASP H . . 4.910 3.415 2.454 4.102 . 0 0 "[ . 1 . 2]" 1
752 1 66 MET ME 1 66 MET HG2 . . 3.590 2.719 2.072 3.385 . 0 0 "[ . 1 . 2]" 1
753 1 66 MET ME 1 66 MET QG . . 3.140 2.208 2.024 2.537 . 0 0 "[ . 1 . 2]" 1
754 1 66 MET ME 1 66 MET HG3 . . 3.590 2.808 2.054 3.400 . 0 0 "[ . 1 . 2]" 1
755 1 66 MET QG 1 67 ASP H . . 4.580 3.890 2.445 4.484 . 0 0 "[ . 1 . 2]" 1
756 1 66 MET QG 1 77 VAL MG1 . . 3.950 3.152 2.574 3.917 . 0 0 "[ . 1 . 2]" 1
757 1 66 MET QG 1 79 TYR QB . . 3.630 2.768 2.241 3.337 . 0 0 "[ . 1 . 2]" 1
758 1 66 MET HG2 1 77 VAL MG1 . . 4.560 3.297 2.605 4.380 . 0 0 "[ . 1 . 2]" 1
759 1 66 MET HG2 1 79 TYR HB2 . . 4.660 4.028 3.180 4.652 . 0 0 "[ . 1 . 2]" 1
760 1 66 MET HG2 1 79 TYR HB3 . . 4.660 3.332 2.802 4.288 . 0 0 "[ . 1 . 2]" 1
761 1 66 MET HG3 1 77 VAL MG1 . . 4.560 4.212 3.045 4.561 0.001 19 0 "[ . 1 . 2]" 1
762 1 66 MET HG3 1 79 TYR HB2 . . 4.660 3.842 2.802 4.644 . 0 0 "[ . 1 . 2]" 1
763 1 66 MET HG3 1 79 TYR HB3 . . 4.660 3.645 2.443 4.511 . 0 0 "[ . 1 . 2]" 1
764 1 67 ASP H 1 67 ASP QB . . 3.830 2.575 2.250 3.107 . 0 0 "[ . 1 . 2]" 1
765 1 67 ASP H 1 78 MET H . . 3.910 3.226 2.515 3.910 0.000 16 0 "[ . 1 . 2]" 1
766 1 67 ASP H 1 79 TYR HA . . 4.660 4.334 3.677 4.641 . 0 0 "[ . 1 . 2]" 1
767 1 67 ASP QB 1 68 CYS H . . 4.830 3.160 2.059 4.038 . 0 0 "[ . 1 . 2]" 1
768 1 67 ASP QB 1 78 MET H . . 5.300 3.890 2.849 5.200 . 0 0 "[ . 1 . 2]" 1
769 1 68 CYS HA 1 69 GLN H . . 3.470 2.298 2.140 2.750 . 0 0 "[ . 1 . 2]" 1
770 1 68 CYS HA 1 77 VAL HA . . 4.040 3.353 2.006 4.032 . 0 0 "[ . 1 . 2]" 1
771 1 68 CYS HA 1 77 VAL MG2 . . 4.410 3.520 2.545 4.349 . 0 0 "[ . 1 . 2]" 1
772 1 70 GLU H 1 70 GLU QB . . 3.260 2.345 2.215 2.540 . 0 0 "[ . 1 . 2]" 1
773 1 70 GLU H 1 70 GLU QG . . 4.160 3.269 2.117 4.048 . 0 0 "[ . 1 . 2]" 1
774 1 70 GLU H 1 71 THR H . . 4.750 4.548 4.297 4.638 . 0 0 "[ . 1 . 2]" 1
775 1 70 GLU HA 1 71 THR H . . 3.540 2.218 2.141 2.334 . 0 0 "[ . 1 . 2]" 1
776 1 70 GLU QB 1 71 THR H . . 3.940 3.194 2.572 3.905 . 0 0 "[ . 1 . 2]" 1
777 1 70 GLU QG 1 71 THR H . . 3.760 3.340 2.549 3.754 . 0 0 "[ . 1 . 2]" 1
778 1 71 THR H 1 71 THR HG1 . . 4.180 3.136 2.119 3.857 . 0 0 "[ . 1 . 2]" 1
779 1 71 THR H 1 71 THR MG . . 3.550 3.126 2.756 3.337 . 0 0 "[ . 1 . 2]" 1
780 1 71 THR H 1 74 GLY H . . 4.120 3.949 3.721 4.116 . 0 0 "[ . 1 . 2]" 1
781 1 71 THR H 1 75 TYR HA . . 4.170 3.218 2.410 3.712 . 0 0 "[ . 1 . 2]" 1
782 1 71 THR H 1 75 TYR QD . . 4.510 3.808 3.186 4.425 . 0 0 "[ . 1 . 2]" 1
783 1 71 THR H 1 76 LYS H . . 4.470 4.070 3.113 4.464 . 0 0 "[ . 1 . 2]" 1
784 1 71 THR HA 1 71 THR MG . . 3.430 2.242 2.096 2.462 . 0 0 "[ . 1 . 2]" 1
785 1 71 THR HA 1 72 PRO HD2 . . 3.680 2.390 2.346 2.471 . 0 0 "[ . 1 . 2]" 1
786 1 71 THR HA 1 72 PRO QD . . 3.140 2.085 2.060 2.132 . 0 0 "[ . 1 . 2]" 1
787 1 71 THR HA 1 72 PRO HD3 . . 3.680 2.297 2.282 2.330 . 0 0 "[ . 1 . 2]" 1
788 1 71 THR HA 1 72 PRO HG2 . . 4.760 4.505 4.469 4.571 . 0 0 "[ . 1 . 2]" 1
789 1 71 THR HA 1 72 PRO HG3 . . 4.760 4.467 4.441 4.517 . 0 0 "[ . 1 . 2]" 1
790 1 71 THR HB 1 72 PRO HD2 . . 3.500 2.028 1.998 2.065 . 0 0 "[ . 1 . 2]" 1
791 1 71 THR HB 1 72 PRO HD3 . . 3.500 3.476 3.446 3.500 . 0 0 "[ . 1 . 2]" 1
792 1 71 THR HB 1 72 PRO HG2 . . 4.860 3.762 3.695 3.840 . 0 0 "[ . 1 . 2]" 1
793 1 71 THR HB 1 72 PRO QG . . 4.220 3.612 3.559 3.676 . 0 0 "[ . 1 . 2]" 1
794 1 71 THR HB 1 72 PRO HG3 . . 4.860 4.662 4.622 4.707 . 0 0 "[ . 1 . 2]" 1
795 1 71 THR HB 1 73 GLU H . . 3.870 2.412 2.174 2.612 . 0 0 "[ . 1 . 2]" 1
796 1 71 THR HB 1 74 GLY H . . 4.330 3.190 2.910 3.572 . 0 0 "[ . 1 . 2]" 1
797 1 71 THR HG1 1 71 THR MG . . 3.490 2.601 2.319 3.047 . 0 0 "[ . 1 . 2]" 1
798 1 71 THR HG1 1 73 GLU H . . 3.470 3.202 2.877 3.470 . 0 0 "[ . 1 . 2]" 1
799 1 71 THR HG1 1 74 GLY H . . 3.500 2.288 1.901 2.983 . 0 0 "[ . 1 . 2]" 1
800 1 71 THR HG1 1 76 LYS H . . 4.380 3.591 3.009 4.130 . 0 0 "[ . 1 . 2]" 1
801 1 71 THR MG 1 72 PRO HD2 . . 4.040 2.938 2.274 3.282 . 0 0 "[ . 1 . 2]" 1
802 1 71 THR MG 1 72 PRO HD3 . . 4.040 3.702 3.140 4.009 . 0 0 "[ . 1 . 2]" 1
803 1 71 THR MG 1 73 GLU H . . 4.200 4.048 3.851 4.144 . 0 0 "[ . 1 . 2]" 1
804 1 71 THR MG 1 74 GLY H . . 4.450 4.170 3.961 4.445 . 0 0 "[ . 1 . 2]" 1
805 1 71 THR MG 1 76 LYS H . . 4.060 2.759 2.205 3.338 . 0 0 "[ . 1 . 2]" 1
806 1 71 THR MG 1 76 LYS HB2 . . 3.570 2.310 1.950 2.921 . 0 0 "[ . 1 . 2]" 1
807 1 71 THR MG 1 76 LYS QB . . 3.090 2.093 1.778 2.478 . 0 0 "[ . 1 . 2]" 1
808 1 71 THR MG 1 76 LYS HB3 . . 3.570 2.539 1.934 3.195 . 0 0 "[ . 1 . 2]" 1
809 1 72 PRO QB 1 73 GLU H . . 3.850 3.597 3.398 3.720 . 0 0 "[ . 1 . 2]" 1
810 1 72 PRO QD 1 73 GLU H . . 3.830 2.804 2.645 2.947 . 0 0 "[ . 1 . 2]" 1
811 1 72 PRO HD2 1 73 GLU H . . 4.490 2.868 2.693 3.028 . 0 0 "[ . 1 . 2]" 1
812 1 72 PRO HD3 1 73 GLU H . . 4.490 3.960 3.867 4.044 . 0 0 "[ . 1 . 2]" 1
813 1 72 PRO QG 1 73 GLU H . . 3.740 3.019 2.648 3.272 . 0 0 "[ . 1 . 2]" 1
814 1 73 GLU H 1 73 GLU HB2 . . 4.070 2.645 2.310 3.028 . 0 0 "[ . 1 . 2]" 1
815 1 73 GLU H 1 73 GLU QB . . 3.410 2.341 2.281 2.421 . 0 0 "[ . 1 . 2]" 1
816 1 73 GLU H 1 73 GLU HB3 . . 4.070 2.868 2.386 3.602 . 0 0 "[ . 1 . 2]" 1
817 1 73 GLU H 1 73 GLU HG2 . . 4.860 4.387 3.285 4.773 . 0 0 "[ . 1 . 2]" 1
818 1 73 GLU H 1 73 GLU QG . . 4.130 3.845 3.154 4.130 . 0 0 "[ . 1 . 2]" 1
819 1 73 GLU H 1 73 GLU HG3 . . 4.860 4.339 3.428 4.633 . 0 0 "[ . 1 . 2]" 1
820 1 73 GLU H 1 74 GLY H . . 2.980 2.192 1.957 2.434 . 0 0 "[ . 1 . 2]" 1
821 1 73 GLU HA 1 73 GLU HG2 . . 3.890 3.274 2.525 3.863 . 0 0 "[ . 1 . 2]" 1
822 1 73 GLU HA 1 73 GLU HG3 . . 3.890 2.770 2.196 3.657 . 0 0 "[ . 1 . 2]" 1
823 1 73 GLU QB 1 74 GLY H . . 3.590 2.662 2.292 3.149 . 0 0 "[ . 1 . 2]" 1
824 1 73 GLU HB2 1 74 GLY H . . 4.170 3.562 2.579 4.103 . 0 0 "[ . 1 . 2]" 1
825 1 73 GLU HB3 1 74 GLY H . . 4.170 2.900 2.315 3.786 . 0 0 "[ . 1 . 2]" 1
826 1 74 GLY H 1 75 TYR H . . 4.490 3.454 2.692 3.941 . 0 0 "[ . 1 . 2]" 1
827 1 75 TYR QB 1 76 LYS H . . 4.040 3.425 3.169 3.894 . 0 0 "[ . 1 . 2]" 1
828 1 75 TYR HB2 1 76 LYS H . . 4.610 4.294 4.116 4.493 . 0 0 "[ . 1 . 2]" 1
829 1 75 TYR HB3 1 76 LYS H . . 4.610 3.621 3.283 4.411 . 0 0 "[ . 1 . 2]" 1
830 1 76 LYS H 1 76 LYS QB . . 3.650 2.359 2.282 2.592 . 0 0 "[ . 1 . 2]" 1
831 1 76 LYS H 1 76 LYS QG . . 4.680 4.015 3.959 4.122 . 0 0 "[ . 1 . 2]" 1
832 1 76 LYS HA 1 77 VAL H . . 3.300 2.164 2.140 2.228 . 0 0 "[ . 1 . 2]" 1
833 1 76 LYS QB 1 76 LYS QE . . 4.000 3.177 2.033 3.562 . 0 0 "[ . 1 . 2]" 1
834 1 76 LYS QB 1 77 VAL H . . 4.390 3.733 3.541 3.874 . 0 0 "[ . 1 . 2]" 1
835 1 76 LYS HB2 1 76 LYS QE . . 4.820 3.626 2.506 4.139 . 0 0 "[ . 1 . 2]" 1
836 1 76 LYS HB3 1 76 LYS QE . . 4.820 3.622 2.056 4.180 . 0 0 "[ . 1 . 2]" 1
837 1 76 LYS QE 1 76 LYS HG2 . . 3.680 2.579 2.153 3.397 . 0 0 "[ . 1 . 2]" 1
838 1 76 LYS QE 1 76 LYS HG3 . . 3.680 2.469 2.097 3.321 . 0 0 "[ . 1 . 2]" 1
839 1 76 LYS HG2 1 77 VAL H . . 4.270 3.006 2.419 4.228 . 0 0 "[ . 1 . 2]" 1
840 1 76 LYS HG3 1 77 VAL H . . 4.270 3.324 2.581 3.839 . 0 0 "[ . 1 . 2]" 1
841 1 77 VAL H 1 77 VAL HB . . 3.800 2.637 2.539 2.818 . 0 0 "[ . 1 . 2]" 1
842 1 77 VAL H 1 77 VAL MG2 . . 3.920 2.801 2.655 3.031 . 0 0 "[ . 1 . 2]" 1
843 1 77 VAL H 1 78 MET H . . 4.850 4.368 4.144 4.508 . 0 0 "[ . 1 . 2]" 1
844 1 77 VAL HA 1 78 MET H . . 2.990 2.184 2.142 2.310 . 0 0 "[ . 1 . 2]" 1
845 1 77 VAL HB 1 78 MET H . . 4.680 4.119 3.752 4.399 . 0 0 "[ . 1 . 2]" 1
846 1 77 VAL MG1 1 78 MET H . . 3.400 2.494 2.000 2.973 . 0 0 "[ . 1 . 2]" 1
847 1 77 VAL MG2 1 78 MET H . . 4.480 3.971 3.797 4.125 . 0 0 "[ . 1 . 2]" 1
848 1 78 MET H 1 78 MET HB2 . . 3.940 2.707 2.517 2.934 . 0 0 "[ . 1 . 2]" 1
849 1 78 MET H 1 78 MET QB . . 3.290 2.651 2.478 2.852 . 0 0 "[ . 1 . 2]" 1
850 1 78 MET H 1 78 MET HB3 . . 3.940 3.790 3.680 3.889 . 0 0 "[ . 1 . 2]" 1
851 1 78 MET H 1 78 MET ME . . 3.560 3.306 2.700 3.561 0.001 3 0 "[ . 1 . 2]" 1
852 1 78 MET H 1 78 MET HG2 . . 4.390 4.143 3.746 4.390 0.000 5 0 "[ . 1 . 2]" 1
853 1 78 MET H 1 78 MET QG . . 3.730 2.918 2.417 3.364 . 0 0 "[ . 1 . 2]" 1
854 1 78 MET H 1 78 MET HG3 . . 4.390 2.990 2.443 3.503 . 0 0 "[ . 1 . 2]" 1
855 1 78 MET H 1 79 TYR H . . 4.710 4.398 4.278 4.511 . 0 0 "[ . 1 . 2]" 1
856 1 78 MET HA 1 78 MET HG2 . . 3.940 2.970 2.505 3.705 . 0 0 "[ . 1 . 2]" 1
857 1 78 MET HA 1 78 MET HG3 . . 3.940 2.839 2.470 3.130 . 0 0 "[ . 1 . 2]" 1
858 1 78 MET HA 1 79 TYR H . . 3.270 2.200 2.149 2.269 . 0 0 "[ . 1 . 2]" 1
859 1 78 MET QB 1 79 TYR H . . 4.180 2.981 2.729 3.200 . 0 0 "[ . 1 . 2]" 1
860 1 78 MET QB 1 79 TYR HA . . 4.720 4.017 3.928 4.111 . 0 0 "[ . 1 . 2]" 1
861 1 78 MET ME 1 78 MET HG2 . . 3.590 3.065 2.328 3.370 . 0 0 "[ . 1 . 2]" 1
862 1 78 MET ME 1 78 MET QG . . 2.900 2.220 1.986 2.414 . 0 0 "[ . 1 . 2]" 1
863 1 78 MET ME 1 78 MET HG3 . . 3.590 2.501 2.010 3.396 . 0 0 "[ . 1 . 2]" 1
864 1 78 MET QG 1 79 TYR H . . 5.290 4.144 3.725 4.395 . 0 0 "[ . 1 . 2]" 1
865 1 79 TYR H 1 79 TYR QD . . 4.280 3.150 2.581 3.568 . 0 0 "[ . 1 . 2]" 1
866 1 79 TYR HA 1 79 TYR QD . . 4.380 3.670 3.559 3.740 . 0 0 "[ . 1 . 2]" 1
867 1 79 TYR QD 1 79 TYR HH . . 4.830 4.288 4.243 4.347 . 0 0 "[ . 1 . 2]" 1
868 1 79 TYR QD 1 81 PRO QD . . 4.190 2.128 1.985 2.515 . 0 0 "[ . 1 . 2]" 1
869 1 79 TYR QD 1 81 PRO HG3 . . 4.440 3.949 3.362 4.447 0.007 20 0 "[ . 1 . 2]" 1
870 1 79 TYR QD 1 89 ILE MD . . 4.010 3.885 3.673 4.005 . 0 0 "[ . 1 . 2]" 1
871 1 79 TYR QE 1 81 PRO HB3 . . 4.500 3.572 2.918 4.228 . 0 0 "[ . 1 . 2]" 1
872 1 79 TYR QE 1 81 PRO QD . . 4.280 2.417 2.038 2.953 . 0 0 "[ . 1 . 2]" 1
873 1 79 TYR QE 1 81 PRO HG3 . . 4.290 2.805 2.184 3.269 . 0 0 "[ . 1 . 2]" 1
874 1 79 TYR QE 1 89 ILE MD . . 3.890 2.615 2.107 3.003 . 0 0 "[ . 1 . 2]" 1
875 1 79 TYR HH 1 89 ILE MD . . 3.710 3.172 2.211 3.713 0.003 11 0 "[ . 1 . 2]" 1
876 1 80 THR HA 1 80 THR MG . . 3.350 2.323 2.061 2.464 . 0 0 "[ . 1 . 2]" 1
877 1 80 THR HA 1 81 PRO HD2 . . 3.760 1.927 1.914 1.963 . 0 0 "[ . 1 . 2]" 1
878 1 80 THR HA 1 81 PRO QD . . 3.260 1.860 1.852 1.876 . 0 0 "[ . 1 . 2]" 1
879 1 80 THR HA 1 81 PRO HD3 . . 3.760 2.459 2.344 2.592 . 0 0 "[ . 1 . 2]" 1
880 1 80 THR HA 1 81 PRO HG3 . . 4.890 4.367 4.321 4.435 . 0 0 "[ . 1 . 2]" 1
881 1 80 THR MG 1 81 PRO HD2 . . 4.480 2.679 2.280 3.101 . 0 0 "[ . 1 . 2]" 1
882 1 80 THR MG 1 81 PRO QD . . 3.770 2.634 2.259 3.024 . 0 0 "[ . 1 . 2]" 1
883 1 80 THR MG 1 81 PRO HD3 . . 4.480 3.919 3.616 4.191 . 0 0 "[ . 1 . 2]" 1
884 1 81 PRO HA 1 83 ALA H . . 3.910 3.762 3.369 3.876 . 0 0 "[ . 1 . 2]" 1
885 1 81 PRO HB2 1 83 ALA H . . 3.880 3.394 2.959 3.596 . 0 0 "[ . 1 . 2]" 1
886 1 81 PRO HB2 1 87 TYR QE . . 4.320 3.971 3.593 4.275 . 0 0 "[ . 1 . 2]" 1
887 1 81 PRO HB2 1 108 VAL MG1 . . 3.290 2.629 2.203 3.010 . 0 0 "[ . 1 . 2]" 1
888 1 81 PRO HB2 1 108 VAL MG2 . . 4.360 3.418 2.983 3.868 . 0 0 "[ . 1 . 2]" 1
889 1 81 PRO HB3 1 83 ALA H . . 4.620 4.477 4.184 4.615 . 0 0 "[ . 1 . 2]" 1
890 1 81 PRO HB3 1 108 VAL MG1 . . 3.840 3.447 2.703 3.833 . 0 0 "[ . 1 . 2]" 1
891 1 81 PRO HB3 1 108 VAL MG2 . . 4.070 3.234 2.645 3.779 . 0 0 "[ . 1 . 2]" 1
892 1 81 PRO HG2 1 108 VAL MG1 . . 3.580 2.891 2.452 3.324 . 0 0 "[ . 1 . 2]" 1
893 1 81 PRO HG2 1 108 VAL MG2 . . 4.120 3.972 3.663 4.120 . 0 0 "[ . 1 . 2]" 1
894 1 81 PRO HG3 1 108 VAL MG1 . . 3.630 2.754 1.988 3.183 . 0 0 "[ . 1 . 2]" 1
895 1 81 PRO HG3 1 108 VAL MG2 . . 3.690 2.942 2.631 3.238 . 0 0 "[ . 1 . 2]" 1
896 1 82 MET H 1 82 MET QG . . 4.700 3.855 2.998 4.108 . 0 0 "[ . 1 . 2]" 1
897 1 82 MET H 1 83 ALA H . . 3.400 2.270 1.940 2.811 . 0 0 "[ . 1 . 2]" 1
898 1 82 MET HA 1 82 MET ME . . 4.350 4.089 3.502 4.347 . 0 0 "[ . 1 . 2]" 1
899 1 82 MET HA 1 113 LEU MD1 . . 4.140 2.629 1.999 3.280 . 0 0 "[ . 1 . 2]" 1
900 1 82 MET HA 1 113 LEU HG . . 4.850 4.444 3.845 4.847 . 0 0 "[ . 1 . 2]" 1
901 1 82 MET QB 1 83 ALA H . . 3.790 2.822 2.651 3.026 . 0 0 "[ . 1 . 2]" 1
902 1 82 MET HB2 1 83 ALA H . . 4.560 3.700 2.864 4.121 . 0 0 "[ . 1 . 2]" 1
903 1 82 MET HB3 1 83 ALA H . . 4.560 3.037 2.725 3.713 . 0 0 "[ . 1 . 2]" 1
904 1 82 MET ME 1 82 MET HG2 . . 3.780 2.829 2.040 3.319 . 0 0 "[ . 1 . 2]" 1
905 1 82 MET ME 1 82 MET QG . . 3.200 2.140 1.966 2.507 . 0 0 "[ . 1 . 2]" 1
906 1 82 MET ME 1 82 MET HG3 . . 3.780 2.420 1.989 3.384 . 0 0 "[ . 1 . 2]" 1
907 1 82 MET HG2 1 113 LEU MD1 . . 4.590 3.853 3.031 4.568 . 0 0 "[ . 1 . 2]" 1
908 1 82 MET HG3 1 113 LEU MD1 . . 4.590 3.465 1.972 4.515 . 0 0 "[ . 1 . 2]" 1
909 1 83 ALA H 1 83 ALA MB . . 3.320 2.512 2.346 2.579 . 0 0 "[ . 1 . 2]" 1
910 1 83 ALA H 1 87 TYR QE . . 4.660 4.622 4.523 4.664 0.004 16 0 "[ . 1 . 2]" 1
911 1 83 ALA H 1 87 TYR HH . . 3.100 2.962 2.624 3.101 0.001 4 0 "[ . 1 . 2]" 1
912 1 83 ALA HA 1 84 PRO HA . . 4.650 4.399 4.391 4.405 . 0 0 "[ . 1 . 2]" 1
913 1 83 ALA HA 1 84 PRO HD2 . . 3.900 2.291 2.232 2.405 . 0 0 "[ . 1 . 2]" 1
914 1 83 ALA HA 1 84 PRO QD . . 3.320 2.030 1.999 2.093 . 0 0 "[ . 1 . 2]" 1
915 1 83 ALA HA 1 84 PRO HD3 . . 3.900 2.268 2.256 2.301 . 0 0 "[ . 1 . 2]" 1
916 1 83 ALA HA 1 84 PRO QG . . 4.600 3.936 3.903 4.005 . 0 0 "[ . 1 . 2]" 1
917 1 83 ALA HA 1 112 ARG HA . . 3.800 3.215 2.892 3.620 . 0 0 "[ . 1 . 2]" 1
918 1 83 ALA MB 1 84 PRO HD2 . . 3.890 2.265 2.078 2.514 . 0 0 "[ . 1 . 2]" 1
919 1 83 ALA MB 1 84 PRO QD . . 3.120 2.233 2.058 2.462 . 0 0 "[ . 1 . 2]" 1
920 1 83 ALA MB 1 84 PRO HD3 . . 3.890 3.403 3.247 3.520 . 0 0 "[ . 1 . 2]" 1
921 1 83 ALA MB 1 87 TYR HH . . 3.800 3.397 3.124 3.703 . 0 0 "[ . 1 . 2]" 1
922 1 83 ALA MB 1 112 ARG HA . . 4.350 4.048 3.007 4.344 . 0 0 "[ . 1 . 2]" 1
923 1 83 ALA MB 1 112 ARG QD . . 5.270 4.042 2.670 5.113 . 0 0 "[ . 1 . 2]" 1
924 1 84 PRO HA 1 85 GLY H . . 3.060 2.445 2.258 2.538 . 0 0 "[ . 1 . 2]" 1
925 1 84 PRO HA 1 85 GLY HA2 . . 4.720 4.672 4.534 4.735 0.015 3 0 "[ . 1 . 2]" 1
926 1 84 PRO HA 1 85 GLY HA3 . . 4.880 4.373 4.340 4.402 . 0 0 "[ . 1 . 2]" 1
927 1 84 PRO HA 1 108 VAL H . . 4.870 4.662 4.425 4.830 . 0 0 "[ . 1 . 2]" 1
928 1 84 PRO HA 1 108 VAL HA . . 5.220 4.526 4.244 4.757 . 0 0 "[ . 1 . 2]" 1
929 1 84 PRO HA 1 108 VAL HB . . 3.820 2.124 1.998 2.353 . 0 0 "[ . 1 . 2]" 1
930 1 84 PRO HA 1 108 VAL MG1 . . 3.370 2.077 1.935 2.491 . 0 0 "[ . 1 . 2]" 1
931 1 84 PRO HA 1 109 THR HA . . 5.500 4.419 3.534 5.448 . 0 0 "[ . 1 . 2]" 1
932 1 84 PRO QB 1 85 GLY H . . 3.340 2.459 2.260 2.902 . 0 0 "[ . 1 . 2]" 1
933 1 84 PRO QB 1 109 THR HA . . 4.190 2.829 1.968 4.045 . 0 0 "[ . 1 . 2]" 1
934 1 84 PRO QB 1 110 GLY H . . 4.450 3.363 2.757 4.101 . 0 0 "[ . 1 . 2]" 1
935 1 84 PRO HD2 1 112 ARG HA . . 3.960 3.254 2.673 3.899 . 0 0 "[ . 1 . 2]" 1
936 1 84 PRO HD3 1 112 ARG HA . . 3.960 2.589 1.999 3.790 . 0 0 "[ . 1 . 2]" 1
937 1 85 GLY H 1 86 ASN H . . 4.630 4.392 4.279 4.475 . 0 0 "[ . 1 . 2]" 1
938 1 85 GLY H 1 87 TYR QE . . 4.110 3.868 3.541 4.106 . 0 0 "[ . 1 . 2]" 1
939 1 85 GLY H 1 108 VAL H . . 3.650 3.205 2.907 3.427 . 0 0 "[ . 1 . 2]" 1
940 1 85 GLY H 1 108 VAL HA . . 5.130 4.465 4.181 4.763 . 0 0 "[ . 1 . 2]" 1
941 1 85 GLY H 1 108 VAL HB . . 3.480 2.064 1.900 2.495 . 0 0 "[ . 1 . 2]" 1
942 1 85 GLY H 1 108 VAL MG1 . . 3.830 3.474 3.208 3.788 . 0 0 "[ . 1 . 2]" 1
943 1 85 GLY H 1 108 VAL MG2 . . 4.300 3.464 3.219 3.786 . 0 0 "[ . 1 . 2]" 1
944 1 85 GLY H 1 109 THR HA . . 5.500 4.237 3.711 5.155 . 0 0 "[ . 1 . 2]" 1
945 1 85 GLY HA2 1 86 ASN H . . 3.120 2.935 2.699 3.112 . 0 0 "[ . 1 . 2]" 1
946 1 85 GLY HA3 1 86 ASN H . . 3.000 2.264 2.165 2.435 . 0 0 "[ . 1 . 2]" 1
947 1 85 GLY HA3 1 86 ASN HA . . 4.990 4.404 4.368 4.492 . 0 0 "[ . 1 . 2]" 1
948 1 86 ASN H 1 86 ASN HB2 . . 3.780 3.559 2.621 3.777 . 0 0 "[ . 1 . 2]" 1
949 1 86 ASN H 1 86 ASN QB . . 3.190 3.007 2.569 3.180 . 0 0 "[ . 1 . 2]" 1
950 1 86 ASN H 1 86 ASN HB3 . . 3.780 3.338 2.839 3.764 . 0 0 "[ . 1 . 2]" 1
951 1 86 ASN H 1 86 ASN HD21 . . 4.980 4.034 2.614 4.645 . 0 0 "[ . 1 . 2]" 1
952 1 86 ASN H 1 86 ASN QD . . 4.230 3.567 2.539 4.161 . 0 0 "[ . 1 . 2]" 1
953 1 86 ASN H 1 86 ASN HD22 . . 4.980 4.000 3.449 4.709 . 0 0 "[ . 1 . 2]" 1
954 1 86 ASN H 1 87 TYR H . . 4.490 4.267 4.091 4.461 . 0 0 "[ . 1 . 2]" 1
955 1 86 ASN HA 1 87 TYR H . . 2.830 2.145 2.139 2.162 . 0 0 "[ . 1 . 2]" 1
956 1 86 ASN HA 1 87 TYR HA . . 4.940 4.395 4.391 4.403 . 0 0 "[ . 1 . 2]" 1
957 1 86 ASN HA 1 107 LYS HA . . 3.780 2.936 2.321 3.431 . 0 0 "[ . 1 . 2]" 1
958 1 86 ASN HA 1 108 VAL H . . 4.160 3.322 2.722 3.702 . 0 0 "[ . 1 . 2]" 1
959 1 86 ASN QB 1 87 TYR H . . 3.520 3.329 3.116 3.487 . 0 0 "[ . 1 . 2]" 1
960 1 86 ASN HB2 1 87 TYR H . . 4.280 3.591 3.242 4.195 . 0 0 "[ . 1 . 2]" 1
961 1 86 ASN HB3 1 87 TYR H . . 4.280 4.079 3.450 4.273 . 0 0 "[ . 1 . 2]" 1
962 1 87 TYR H 1 87 TYR HB2 . . 3.480 2.466 2.404 2.519 . 0 0 "[ . 1 . 2]" 1
963 1 87 TYR H 1 87 TYR HB3 . . 3.690 3.671 3.636 3.696 0.006 2 0 "[ . 1 . 2]" 1
964 1 87 TYR H 1 87 TYR QD . . 3.570 2.484 2.192 2.802 . 0 0 "[ . 1 . 2]" 1
965 1 87 TYR H 1 87 TYR QE . . 5.370 4.798 4.514 5.107 . 0 0 "[ . 1 . 2]" 1
966 1 87 TYR H 1 106 ALA H . . 3.980 3.938 3.789 3.982 0.002 6 0 "[ . 1 . 2]" 1
967 1 87 TYR H 1 106 ALA MB . . 4.250 3.810 3.320 4.178 . 0 0 "[ . 1 . 2]" 1
968 1 87 TYR H 1 107 LYS HA . . 3.960 3.618 3.202 3.909 . 0 0 "[ . 1 . 2]" 1
969 1 87 TYR H 1 108 VAL MG2 . . 4.280 3.349 2.836 3.778 . 0 0 "[ . 1 . 2]" 1
970 1 87 TYR HA 1 88 LEU H . . 2.890 2.301 2.196 2.428 . 0 0 "[ . 1 . 2]" 1
971 1 87 TYR HA 1 88 LEU QB . . 4.690 3.895 3.831 3.962 . 0 0 "[ . 1 . 2]" 1
972 1 87 TYR HB2 1 88 LEU H . . 4.140 3.927 3.650 4.148 0.008 15 0 "[ . 1 . 2]" 1
973 1 87 TYR HB2 1 106 ALA H . . 4.750 4.194 3.811 4.494 . 0 0 "[ . 1 . 2]" 1
974 1 87 TYR HB2 1 106 ALA MB . . 3.500 3.105 2.853 3.490 . 0 0 "[ . 1 . 2]" 1
975 1 87 TYR HB2 1 108 VAL MG2 . . 3.830 3.130 2.727 3.525 . 0 0 "[ . 1 . 2]" 1
976 1 87 TYR HB3 1 88 LEU H . . 3.850 2.713 2.369 3.049 . 0 0 "[ . 1 . 2]" 1
977 1 87 TYR HB3 1 106 ALA MB . . 4.390 4.199 3.895 4.363 . 0 0 "[ . 1 . 2]" 1
978 1 87 TYR QD 1 108 VAL H . . 4.380 3.770 3.479 4.009 . 0 0 "[ . 1 . 2]" 1
979 1 87 TYR QD 1 108 VAL HB . . 4.400 3.791 3.525 4.143 . 0 0 "[ . 1 . 2]" 1
980 1 87 TYR QD 1 108 VAL MG2 . . 3.780 2.067 1.945 2.260 . 0 0 "[ . 1 . 2]" 1
981 1 87 TYR QE 1 108 VAL H . . 4.910 4.783 4.381 4.890 . 0 0 "[ . 1 . 2]" 1
982 1 87 TYR QE 1 108 VAL HB . . 3.580 3.301 3.022 3.566 . 0 0 "[ . 1 . 2]" 1
983 1 87 TYR QE 1 108 VAL MG1 . . 4.520 3.706 3.500 3.932 . 0 0 "[ . 1 . 2]" 1
984 1 87 TYR QE 1 108 VAL MG2 . . 3.660 2.505 2.050 2.850 . 0 0 "[ . 1 . 2]" 1
985 1 88 LEU H 1 88 LEU HB2 . . 3.380 2.835 2.664 3.013 . 0 0 "[ . 1 . 2]" 1
986 1 88 LEU H 1 88 LEU HB3 . . 3.380 2.894 2.705 3.033 . 0 0 "[ . 1 . 2]" 1
987 1 88 LEU H 1 88 LEU MD1 . . 5.020 4.237 4.080 4.567 . 0 0 "[ . 1 . 2]" 1
988 1 88 LEU H 1 88 LEU QD . . 4.260 3.868 3.709 3.954 . 0 0 "[ . 1 . 2]" 1
989 1 88 LEU H 1 88 LEU MD2 . . 5.020 4.491 4.171 4.639 . 0 0 "[ . 1 . 2]" 1
990 1 88 LEU H 1 88 LEU HG . . 5.410 4.650 4.581 4.899 . 0 0 "[ . 1 . 2]" 1
991 1 88 LEU H 1 89 ILE QG . . 5.340 4.079 3.832 4.304 . 0 0 "[ . 1 . 2]" 1
992 1 88 LEU HA 1 88 LEU QD . . 3.350 2.348 1.970 2.897 . 0 0 "[ . 1 . 2]" 1
993 1 88 LEU HA 1 88 LEU HG . . 4.170 2.678 2.280 3.718 . 0 0 "[ . 1 . 2]" 1
994 1 88 LEU HA 1 89 ILE H . . 3.050 2.170 2.139 2.275 . 0 0 "[ . 1 . 2]" 1
995 1 88 LEU HA 1 89 ILE HB . . 4.790 4.669 4.530 4.789 . 0 0 "[ . 1 . 2]" 1
996 1 88 LEU HA 1 89 ILE MD . . 5.500 4.715 4.354 5.103 . 0 0 "[ . 1 . 2]" 1
997 1 88 LEU HA 1 89 ILE QG . . 5.340 3.511 3.257 3.777 . 0 0 "[ . 1 . 2]" 1
998 1 88 LEU HA 1 105 LYS HA . . 3.980 3.057 2.592 3.640 . 0 0 "[ . 1 . 2]" 1
999 1 88 LEU HA 1 106 ALA H . . 4.320 3.535 2.947 4.023 . 0 0 "[ . 1 . 2]" 1
1000 1 88 LEU QB 1 88 LEU QD . . 2.620 1.871 1.777 1.992 . 0 0 "[ . 1 . 2]" 1
1001 1 88 LEU QB 1 88 LEU HG . . 2.620 2.429 2.166 2.484 . 0 0 "[ . 1 . 2]" 1
1002 1 88 LEU QB 1 89 ILE H . . 3.960 3.643 3.338 3.789 . 0 0 "[ . 1 . 2]" 1
1003 1 88 LEU HB2 1 89 ILE H . . 4.640 4.342 4.158 4.499 . 0 0 "[ . 1 . 2]" 1
1004 1 88 LEU HB3 1 89 ILE H . . 4.640 3.916 3.516 4.102 . 0 0 "[ . 1 . 2]" 1
1005 1 88 LEU QD 1 89 ILE H . . 3.920 3.129 1.889 3.586 . 0 0 "[ . 1 . 2]" 1
1006 1 88 LEU QD 1 103 PRO QB . . 3.120 2.307 1.783 3.001 . 0 0 "[ . 1 . 2]" 1
1007 1 88 LEU QD 1 105 LYS QE . . 3.910 3.329 2.275 3.904 . 0 0 "[ . 1 . 2]" 1
1008 1 88 LEU QD 1 106 ALA H . . 4.590 4.153 3.594 4.578 . 0 0 "[ . 1 . 2]" 1
1009 1 88 LEU MD1 1 89 ILE H . . 4.570 3.471 1.912 4.541 . 0 0 "[ . 1 . 2]" 1
1010 1 88 LEU MD1 1 103 PRO HB2 . . 5.500 2.677 2.086 3.449 . 0 0 "[ . 1 . 2]" 1
1011 1 88 LEU MD1 1 103 PRO HB3 . . 5.500 3.870 2.782 4.519 . 0 0 "[ . 1 . 2]" 1
1012 1 88 LEU MD2 1 89 ILE H . . 4.570 4.022 2.174 4.569 . 0 0 "[ . 1 . 2]" 1
1013 1 88 LEU MD2 1 103 PRO HB2 . . 5.500 2.941 1.861 3.950 . 0 0 "[ . 1 . 2]" 1
1014 1 88 LEU MD2 1 103 PRO HB3 . . 5.500 3.235 2.248 4.196 . 0 0 "[ . 1 . 2]" 1
1015 1 88 LEU HG 1 89 ILE H . . 4.420 2.919 2.316 4.397 . 0 0 "[ . 1 . 2]" 1
1016 1 88 LEU HG 1 103 PRO QB . . 4.160 2.801 2.009 3.948 . 0 0 "[ . 1 . 2]" 1
1017 1 89 ILE H 1 89 ILE HB . . 3.750 2.690 2.533 2.850 . 0 0 "[ . 1 . 2]" 1
1018 1 89 ILE H 1 89 ILE MD . . 4.250 3.782 3.462 4.157 . 0 0 "[ . 1 . 2]" 1
1019 1 89 ILE H 1 89 ILE HG12 . . 4.650 3.941 3.617 4.260 . 0 0 "[ . 1 . 2]" 1
1020 1 89 ILE H 1 89 ILE QG . . 3.930 2.620 2.329 2.892 . 0 0 "[ . 1 . 2]" 1
1021 1 89 ILE H 1 89 ILE HG13 . . 4.650 2.661 2.351 2.942 . 0 0 "[ . 1 . 2]" 1
1022 1 89 ILE H 1 89 ILE MG . . 4.510 3.867 3.801 3.934 . 0 0 "[ . 1 . 2]" 1
1023 1 89 ILE H 1 104 PHE H . . 4.010 3.246 2.541 3.742 . 0 0 "[ . 1 . 2]" 1
1024 1 89 ILE H 1 104 PHE QB . . 4.370 3.147 2.710 3.896 . 0 0 "[ . 1 . 2]" 1
1025 1 89 ILE HA 1 89 ILE MD . . 4.330 3.891 3.825 3.954 . 0 0 "[ . 1 . 2]" 1
1026 1 89 ILE HA 1 89 ILE MG . . 3.680 2.337 2.208 2.460 . 0 0 "[ . 1 . 2]" 1
1027 1 89 ILE HA 1 90 SER H . . 3.420 2.143 2.139 2.149 . 0 0 "[ . 1 . 2]" 1
1028 1 89 ILE HB 1 89 ILE MD . . 3.490 2.297 2.152 2.429 . 0 0 "[ . 1 . 2]" 1
1029 1 89 ILE HB 1 104 PHE H . . 4.120 3.571 3.147 3.900 . 0 0 "[ . 1 . 2]" 1
1030 1 89 ILE HB 1 104 PHE HB2 . . 3.930 2.161 2.023 2.410 . 0 0 "[ . 1 . 2]" 1
1031 1 89 ILE HB 1 104 PHE QB . . 3.400 2.146 2.015 2.387 . 0 0 "[ . 1 . 2]" 1
1032 1 89 ILE HB 1 104 PHE HB3 . . 3.930 3.670 3.341 3.908 . 0 0 "[ . 1 . 2]" 1
1033 1 89 ILE HB 1 104 PHE QD . . 3.870 2.778 2.058 3.151 . 0 0 "[ . 1 . 2]" 1
1034 1 89 ILE MD 1 89 ILE MG . . 3.440 2.192 1.944 2.433 . 0 0 "[ . 1 . 2]" 1
1035 1 89 ILE MD 1 104 PHE HB2 . . 4.510 3.236 2.801 3.628 . 0 0 "[ . 1 . 2]" 1
1036 1 89 ILE MD 1 104 PHE QB . . 3.690 3.045 2.671 3.408 . 0 0 "[ . 1 . 2]" 1
1037 1 89 ILE MD 1 104 PHE HB3 . . 4.510 3.741 3.169 4.164 . 0 0 "[ . 1 . 2]" 1
1038 1 89 ILE MD 1 106 ALA H . . 4.800 4.373 3.901 4.709 . 0 0 "[ . 1 . 2]" 1
1039 1 89 ILE MD 1 106 ALA MB . . 3.130 2.942 2.624 3.118 . 0 0 "[ . 1 . 2]" 1
1040 1 89 ILE QG 1 89 ILE MG . . 3.070 2.200 2.058 2.370 . 0 0 "[ . 1 . 2]" 1
1041 1 89 ILE QG 1 90 SER H . . 4.730 4.294 4.174 4.409 . 0 0 "[ . 1 . 2]" 1
1042 1 89 ILE QG 1 104 PHE QD . . 4.990 4.752 4.172 4.987 . 0 0 "[ . 1 . 2]" 1
1043 1 89 ILE HG12 1 89 ILE MG . . 3.670 2.245 2.086 2.444 . 0 0 "[ . 1 . 2]" 1
1044 1 89 ILE HG12 1 90 SER H . . 5.500 4.680 4.473 4.908 . 0 0 "[ . 1 . 2]" 1
1045 1 89 ILE HG13 1 89 ILE MG . . 3.670 3.175 3.144 3.199 . 0 0 "[ . 1 . 2]" 1
1046 1 89 ILE HG13 1 90 SER H . . 5.500 5.006 4.763 5.269 . 0 0 "[ . 1 . 2]" 1
1047 1 89 ILE MG 1 90 SER H . . 4.090 2.819 2.514 3.049 . 0 0 "[ . 1 . 2]" 1
1048 1 89 ILE MG 1 91 VAL MG2 . . 3.200 2.549 2.161 2.901 . 0 0 "[ . 1 . 2]" 1
1049 1 89 ILE MG 1 104 PHE QD . . 3.990 2.847 2.453 3.341 . 0 0 "[ . 1 . 2]" 1
1050 1 90 SER H 1 90 SER QB . . 3.560 2.416 2.236 2.719 . 0 0 "[ . 1 . 2]" 1
1051 1 90 SER H 1 91 VAL H . . 4.930 4.479 4.355 4.563 . 0 0 "[ . 1 . 2]" 1
1052 1 90 SER HA 1 91 VAL H . . 3.340 2.217 2.138 2.432 . 0 0 "[ . 1 . 2]" 1
1053 1 90 SER HA 1 103 PRO HA . . 3.920 3.039 2.571 3.795 . 0 0 "[ . 1 . 2]" 1
1054 1 90 SER HA 1 103 PRO HB2 . . 4.830 4.474 4.033 4.811 . 0 0 "[ . 1 . 2]" 1
1055 1 90 SER HA 1 103 PRO QB . . 4.080 3.440 2.913 3.818 . 0 0 "[ . 1 . 2]" 1
1056 1 90 SER HA 1 103 PRO HB3 . . 4.830 3.580 2.988 4.012 . 0 0 "[ . 1 . 2]" 1
1057 1 90 SER HA 1 104 PHE H . . 4.340 3.690 3.078 4.236 . 0 0 "[ . 1 . 2]" 1
1058 1 90 SER QB 1 91 VAL H . . 4.080 3.072 2.397 3.714 . 0 0 "[ . 1 . 2]" 1
1059 1 90 SER HB2 1 91 VAL H . . 4.810 4.054 2.989 4.480 . 0 0 "[ . 1 . 2]" 1
1060 1 90 SER HB3 1 91 VAL H . . 4.810 3.290 2.422 4.339 . 0 0 "[ . 1 . 2]" 1
1061 1 91 VAL H 1 91 VAL MG1 . . 4.300 3.884 3.817 3.958 . 0 0 "[ . 1 . 2]" 1
1062 1 91 VAL H 1 91 VAL MG2 . . 4.230 2.918 2.704 3.159 . 0 0 "[ . 1 . 2]" 1
1063 1 91 VAL H 1 98 HIS HB2 . . 5.500 4.362 3.746 5.293 . 0 0 "[ . 1 . 2]" 1
1064 1 91 VAL H 1 98 HIS HB3 . . 5.500 4.594 3.596 5.442 . 0 0 "[ . 1 . 2]" 1
1065 1 91 VAL H 1 102 SER HB2 . . 4.840 3.527 2.389 4.468 . 0 0 "[ . 1 . 2]" 1
1066 1 91 VAL H 1 102 SER HB3 . . 4.840 3.520 2.831 4.584 . 0 0 "[ . 1 . 2]" 1
1067 1 91 VAL H 1 103 PRO HA . . 4.850 3.971 3.409 4.446 . 0 0 "[ . 1 . 2]" 1
1068 1 91 VAL HA 1 91 VAL MG1 . . 3.520 2.372 2.294 2.475 . 0 0 "[ . 1 . 2]" 1
1069 1 91 VAL HA 1 91 VAL MG2 . . 3.690 2.348 2.246 2.454 . 0 0 "[ . 1 . 2]" 1
1070 1 91 VAL HA 1 92 LYS H . . 3.150 2.159 2.139 2.231 . 0 0 "[ . 1 . 2]" 1
1071 1 91 VAL HB 1 99 ILE MD . . 3.540 2.679 2.070 3.286 . 0 0 "[ . 1 . 2]" 1
1072 1 91 VAL HB 1 99 ILE QG . . 3.570 2.387 1.990 3.221 . 0 0 "[ . 1 . 2]" 1
1073 1 91 VAL HB 1 102 SER HB2 . . 4.540 3.703 2.617 4.539 . 0 0 "[ . 1 . 2]" 1
1074 1 91 VAL HB 1 102 SER QB . . 3.970 3.310 2.525 3.969 . 0 0 "[ . 1 . 2]" 1
1075 1 91 VAL HB 1 102 SER HB3 . . 4.540 3.885 2.891 4.537 . 0 0 "[ . 1 . 2]" 1
1076 1 91 VAL HB 1 102 SER HG . . 5.030 3.239 2.289 4.310 . 0 0 "[ . 1 . 2]" 1
1077 1 91 VAL HB 1 104 PHE QE . . 4.460 3.208 2.212 4.138 . 0 0 "[ . 1 . 2]" 1
1078 1 91 VAL MG1 1 92 LYS H . . 3.480 2.722 2.219 3.386 . 0 0 "[ . 1 . 2]" 1
1079 1 91 VAL MG1 1 102 SER HG . . 5.500 4.590 3.908 5.461 . 0 0 "[ . 1 . 2]" 1
1080 1 91 VAL MG2 1 102 SER HG . . 4.900 3.880 2.576 4.887 . 0 0 "[ . 1 . 2]" 1
1081 1 91 VAL MG2 1 104 PHE QD . . 3.710 2.967 2.102 3.582 . 0 0 "[ . 1 . 2]" 1
1082 1 91 VAL MG2 1 104 PHE QE . . 3.810 2.520 1.879 3.027 . 0 0 "[ . 1 . 2]" 1
1083 1 92 LYS H 1 92 LYS QB . . 3.550 2.502 2.294 3.003 . 0 0 "[ . 1 . 2]" 1
1084 1 92 LYS H 1 92 LYS HG2 . . 4.670 4.032 2.130 4.545 . 0 0 "[ . 1 . 2]" 1
1085 1 92 LYS H 1 92 LYS QG . . 3.910 3.083 2.085 3.887 . 0 0 "[ . 1 . 2]" 1
1086 1 92 LYS H 1 92 LYS HG3 . . 4.670 3.262 2.683 4.669 . 0 0 "[ . 1 . 2]" 1
1087 1 92 LYS HA 1 93 TYR HA . . 4.510 4.435 4.380 4.508 . 0 0 "[ . 1 . 2]" 1
1088 1 92 LYS HA 1 98 HIS HA . . 4.130 2.484 2.041 3.009 . 0 0 "[ . 1 . 2]" 1
1089 1 92 LYS HA 1 99 ILE H . . 4.160 3.610 2.507 4.058 . 0 0 "[ . 1 . 2]" 1
1090 1 92 LYS QB 1 92 LYS QD . . 3.250 2.163 2.043 2.283 . 0 0 "[ . 1 . 2]" 1
1091 1 92 LYS QB 1 96 PRO HA . . 4.530 3.776 3.297 4.533 0.003 19 0 "[ . 1 . 2]" 1
1092 1 92 LYS QD 1 96 PRO HA . . 3.570 2.373 1.980 3.126 . 0 0 "[ . 1 . 2]" 1
1093 1 92 LYS HD2 1 96 PRO HA . . 4.280 2.994 2.021 4.234 . 0 0 "[ . 1 . 2]" 1
1094 1 92 LYS HD3 1 96 PRO HA . . 4.280 2.920 2.000 3.948 . 0 0 "[ . 1 . 2]" 1
1095 1 92 LYS QE 1 92 LYS QG . . 3.270 2.274 2.069 2.594 . 0 0 "[ . 1 . 2]" 1
1096 1 92 LYS HE2 1 92 LYS HG2 . . 4.240 3.461 2.176 4.178 . 0 0 "[ . 1 . 2]" 1
1097 1 92 LYS HE2 1 92 LYS HG3 . . 4.240 2.969 2.281 4.223 . 0 0 "[ . 1 . 2]" 1
1098 1 92 LYS HE3 1 92 LYS HG2 . . 4.240 3.454 2.209 4.230 . 0 0 "[ . 1 . 2]" 1
1099 1 92 LYS HE3 1 92 LYS HG3 . . 4.240 2.964 2.210 4.146 . 0 0 "[ . 1 . 2]" 1
1100 1 92 LYS QG 1 98 HIS HA . . 3.870 2.847 2.070 3.917 0.047 5 0 "[ . 1 . 2]" 1
1101 1 92 LYS HG2 1 98 HIS HA . . 4.560 3.019 2.079 4.498 . 0 0 "[ . 1 . 2]" 1
1102 1 92 LYS HG3 1 98 HIS HA . . 4.560 3.895 3.075 4.453 . 0 0 "[ . 1 . 2]" 1
1103 1 93 TYR HA 1 93 TYR QD . . 4.000 2.922 2.326 3.688 . 0 0 "[ . 1 . 2]" 1
1104 1 93 TYR HA 1 94 GLY HA2 . . 4.860 4.402 4.377 4.459 . 0 0 "[ . 1 . 2]" 1
1105 1 93 TYR HA 1 94 GLY HA3 . . 4.860 4.426 4.337 4.528 . 0 0 "[ . 1 . 2]" 1
1106 1 93 TYR HA 1 95 GLY H . . 4.830 4.293 3.677 4.817 . 0 0 "[ . 1 . 2]" 1
1107 1 93 TYR HA 1 99 ILE MG . . 4.760 4.616 4.098 4.760 . 0 0 "[ . 1 . 2]" 1
1108 1 93 TYR QB 1 99 ILE MG . . 3.740 2.530 2.047 3.013 . 0 0 "[ . 1 . 2]" 1
1109 1 94 GLY H 1 95 GLY H . . 3.730 3.215 2.512 3.706 . 0 0 "[ . 1 . 2]" 1
1110 1 95 GLY QA 1 96 PRO QD . . 2.970 1.965 1.883 2.034 . 0 0 "[ . 1 . 2]" 1
1111 1 95 GLY QA 1 96 PRO QG . . 4.400 3.679 3.659 3.699 . 0 0 "[ . 1 . 2]" 1
1112 1 97 ASN H 1 97 ASN QB . . 3.470 2.565 2.255 2.853 . 0 0 "[ . 1 . 2]" 1
1113 1 97 ASN H 1 97 ASN HD21 . . 4.870 3.195 1.891 4.493 . 0 0 "[ . 1 . 2]" 1
1114 1 97 ASN H 1 97 ASN QD . . 4.180 2.969 1.864 4.077 . 0 0 "[ . 1 . 2]" 1
1115 1 97 ASN H 1 97 ASN HD22 . . 4.870 3.708 2.590 4.746 . 0 0 "[ . 1 . 2]" 1
1116 1 97 ASN H 1 98 HIS H . . 5.130 4.451 4.255 4.626 . 0 0 "[ . 1 . 2]" 1
1117 1 97 ASN HA 1 97 ASN HD21 . . 4.910 3.905 2.663 4.541 . 0 0 "[ . 1 . 2]" 1
1118 1 97 ASN HA 1 97 ASN QD . . 4.290 3.654 2.624 4.177 . 0 0 "[ . 1 . 2]" 1
1119 1 97 ASN HA 1 97 ASN HD22 . . 4.910 4.500 3.954 4.910 0.000 17 0 "[ . 1 . 2]" 1
1120 1 97 ASN HA 1 98 HIS H . . 3.280 2.176 2.140 2.435 . 0 0 "[ . 1 . 2]" 1
1121 1 97 ASN QB 1 97 ASN QD . . 3.020 2.180 2.063 2.500 . 0 0 "[ . 1 . 2]" 1
1122 1 97 ASN QB 1 98 HIS H . . 3.640 3.290 2.349 3.628 . 0 0 "[ . 1 . 2]" 1
1123 1 97 ASN HB2 1 98 HIS H . . 4.410 4.131 3.115 4.411 0.001 13 0 "[ . 1 . 2]" 1
1124 1 97 ASN HB3 1 98 HIS H . . 4.410 3.509 2.374 4.293 . 0 0 "[ . 1 . 2]" 1
1125 1 98 HIS H 1 98 HIS HB2 . . 3.850 3.508 2.629 3.702 . 0 0 "[ . 1 . 2]" 1
1126 1 98 HIS H 1 98 HIS QB . . 3.200 2.708 2.389 2.932 . 0 0 "[ . 1 . 2]" 1
1127 1 98 HIS H 1 98 HIS HB3 . . 3.850 2.893 2.425 3.637 . 0 0 "[ . 1 . 2]" 1
1128 1 98 HIS H 1 98 HIS HD2 . . 3.730 2.713 1.918 3.728 . 0 0 "[ . 1 . 2]" 1
1129 1 98 HIS H 1 99 ILE H . . 5.050 4.583 4.482 4.638 . 0 0 "[ . 1 . 2]" 1
1130 1 98 HIS HA 1 99 ILE H . . 3.210 2.436 2.242 2.650 . 0 0 "[ . 1 . 2]" 1
1131 1 98 HIS HA 1 99 ILE QG . . 4.740 4.172 3.966 4.338 . 0 0 "[ . 1 . 2]" 1
1132 1 98 HIS HA 1 99 ILE MG . . 4.350 3.533 3.388 3.626 . 0 0 "[ . 1 . 2]" 1
1133 1 98 HIS QB 1 99 ILE H . . 3.850 2.366 2.048 2.806 . 0 0 "[ . 1 . 2]" 1
1134 1 98 HIS QB 1 102 SER QB . . 3.670 2.934 1.986 3.613 . 0 0 "[ . 1 . 2]" 1
1135 1 98 HIS HB2 1 99 ILE H . . 4.510 2.480 2.117 3.196 . 0 0 "[ . 1 . 2]" 1
1136 1 98 HIS HB2 1 102 SER HG . . 5.500 3.457 2.007 5.274 . 0 0 "[ . 1 . 2]" 1
1137 1 98 HIS HB3 1 99 ILE H . . 4.510 3.525 2.089 3.953 . 0 0 "[ . 1 . 2]" 1
1138 1 98 HIS HB3 1 102 SER HG . . 5.500 4.437 2.564 5.501 0.001 5 0 "[ . 1 . 2]" 1
1139 1 99 ILE H 1 99 ILE MD . . 4.380 3.836 3.762 3.909 . 0 0 "[ . 1 . 2]" 1
1140 1 99 ILE H 1 99 ILE QG . . 3.530 2.176 2.081 2.260 . 0 0 "[ . 1 . 2]" 1
1141 1 99 ILE H 1 99 ILE MG . . 3.280 2.427 2.092 2.891 . 0 0 "[ . 1 . 2]" 1
1142 1 99 ILE H 1 102 SER HB2 . . 4.810 3.911 3.042 4.792 . 0 0 "[ . 1 . 2]" 1
1143 1 99 ILE H 1 102 SER HB3 . . 4.810 3.851 2.507 4.811 0.001 8 0 "[ . 1 . 2]" 1
1144 1 99 ILE H 1 102 SER HG . . 4.590 3.662 2.428 4.590 0.000 6 0 "[ . 1 . 2]" 1
1145 1 99 ILE HA 1 99 ILE MD . . 4.400 4.130 4.089 4.153 . 0 0 "[ . 1 . 2]" 1
1146 1 99 ILE HA 1 99 ILE MG . . 3.420 2.342 2.237 2.442 . 0 0 "[ . 1 . 2]" 1
1147 1 99 ILE HB 1 99 ILE MD . . 3.390 2.265 2.141 2.339 . 0 0 "[ . 1 . 2]" 1
1148 1 99 ILE HB 1 100 VAL H . . 4.210 2.203 1.995 2.349 . 0 0 "[ . 1 . 2]" 1
1149 1 99 ILE HB 1 100 VAL HA . . 4.830 4.722 4.587 4.809 . 0 0 "[ . 1 . 2]" 1
1150 1 99 ILE HB 1 100 VAL HB . . 4.440 4.100 3.938 4.441 0.001 18 0 "[ . 1 . 2]" 1
1151 1 99 ILE MD 1 102 SER H . . 4.270 3.778 3.524 4.061 . 0 0 "[ . 1 . 2]" 1
1152 1 99 ILE MD 1 102 SER QB . . 4.080 3.459 2.910 3.887 . 0 0 "[ . 1 . 2]" 1
1153 1 99 ILE MD 1 104 PHE QE . . 3.690 2.746 2.222 3.441 . 0 0 "[ . 1 . 2]" 1
1154 1 99 ILE MD 1 104 PHE HZ . . 3.820 2.617 2.074 3.676 . 0 0 "[ . 1 . 2]" 1
1155 1 99 ILE QG 1 102 SER H . . 3.840 2.820 2.618 3.191 . 0 0 "[ . 1 . 2]" 1
1156 1 99 ILE QG 1 102 SER HB2 . . 4.260 2.947 2.215 3.920 . 0 0 "[ . 1 . 2]" 1
1157 1 99 ILE QG 1 102 SER QB . . 3.620 2.442 1.921 3.074 . 0 0 "[ . 1 . 2]" 1
1158 1 99 ILE QG 1 102 SER HB3 . . 4.260 3.097 1.957 3.923 . 0 0 "[ . 1 . 2]" 1
1159 1 99 ILE QG 1 104 PHE HZ . . 5.330 3.664 2.721 4.912 . 0 0 "[ . 1 . 2]" 1
1160 1 99 ILE MG 1 100 VAL H . . 4.670 3.651 3.506 3.747 . 0 0 "[ . 1 . 2]" 1
1161 1 100 VAL H 1 100 VAL HB . . 3.950 2.370 2.279 2.448 . 0 0 "[ . 1 . 2]" 1
1162 1 100 VAL H 1 100 VAL MG2 . . 3.910 2.656 2.225 3.738 . 0 0 "[ . 1 . 2]" 1
1163 1 100 VAL HA 1 100 VAL MG1 . . 3.250 2.629 2.442 3.182 . 0 0 "[ . 1 . 2]" 1
1164 1 100 VAL HA 1 100 VAL MG2 . . 3.150 2.216 2.090 2.279 . 0 0 "[ . 1 . 2]" 1
1165 1 100 VAL HA 1 101 GLY H . . 2.680 2.227 2.186 2.307 . 0 0 "[ . 1 . 2]" 1
1166 1 100 VAL HA 1 101 GLY HA2 . . 4.620 4.478 4.443 4.530 . 0 0 "[ . 1 . 2]" 1
1167 1 100 VAL HA 1 101 GLY HA3 . . 4.620 4.450 4.425 4.494 . 0 0 "[ . 1 . 2]" 1
1168 1 100 VAL HA 1 102 SER H . . 4.130 3.839 3.531 4.088 . 0 0 "[ . 1 . 2]" 1
1169 1 100 VAL HB 1 101 GLY H . . 4.270 4.110 3.973 4.176 . 0 0 "[ . 1 . 2]" 1
1170 1 100 VAL MG1 1 101 GLY H . . 3.400 2.435 2.077 3.326 . 0 0 "[ . 1 . 2]" 1
1171 1 100 VAL MG1 1 101 GLY HA2 . . 4.120 3.405 3.123 4.113 . 0 0 "[ . 1 . 2]" 1
1172 1 100 VAL MG1 1 101 GLY HA3 . . 4.120 3.196 3.026 3.380 . 0 0 "[ . 1 . 2]" 1
1173 1 100 VAL MG2 1 101 GLY H . . 3.750 3.391 2.091 3.759 0.009 17 0 "[ . 1 . 2]" 1
1174 1 101 GLY H 1 102 SER H . . 3.470 3.241 2.963 3.467 . 0 0 "[ . 1 . 2]" 1
1175 1 101 GLY QA 1 104 PHE QE . . 3.830 2.577 2.079 3.375 . 0 0 "[ . 1 . 2]" 1
1176 1 101 GLY HA2 1 104 PHE QE . . 4.500 3.868 3.073 4.479 . 0 0 "[ . 1 . 2]" 1
1177 1 101 GLY HA3 1 104 PHE QE . . 4.500 2.621 2.111 3.519 . 0 0 "[ . 1 . 2]" 1
1178 1 102 SER H 1 102 SER HB2 . . 3.620 2.753 2.170 3.620 . 0 0 "[ . 1 . 2]" 1
1179 1 102 SER H 1 102 SER QB . . 3.070 2.289 2.127 2.828 . 0 0 "[ . 1 . 2]" 1
1180 1 102 SER H 1 102 SER HB3 . . 3.620 2.903 2.172 3.589 . 0 0 "[ . 1 . 2]" 1
1181 1 102 SER H 1 102 SER HG . . 4.280 3.687 2.385 4.291 0.011 12 0 "[ . 1 . 2]" 1
1182 1 102 SER H 1 103 PRO HA . . 4.940 4.724 4.683 4.758 . 0 0 "[ . 1 . 2]" 1
1183 1 102 SER HA 1 103 PRO HA . . 3.390 2.385 2.201 2.495 . 0 0 "[ . 1 . 2]" 1
1184 1 102 SER HA 1 103 PRO HB2 . . 4.860 4.399 4.301 4.467 . 0 0 "[ . 1 . 2]" 1
1185 1 102 SER HA 1 103 PRO QB . . 4.260 3.958 3.850 4.028 . 0 0 "[ . 1 . 2]" 1
1186 1 102 SER HA 1 103 PRO HB3 . . 4.860 4.490 4.343 4.581 . 0 0 "[ . 1 . 2]" 1
1187 1 102 SER HA 1 103 PRO QD . . 4.430 4.016 3.996 4.029 . 0 0 "[ . 1 . 2]" 1
1188 1 102 SER HA 1 104 PHE H . . 3.770 3.028 2.577 3.585 . 0 0 "[ . 1 . 2]" 1
1189 1 102 SER HA 1 104 PHE QD . . 4.130 3.479 2.808 3.718 . 0 0 "[ . 1 . 2]" 1
1190 1 102 SER HA 1 104 PHE QE . . 4.720 3.790 3.047 4.232 . 0 0 "[ . 1 . 2]" 1
1191 1 102 SER QB 1 103 PRO HA . . 4.190 2.342 1.949 3.254 . 0 0 "[ . 1 . 2]" 1
1192 1 102 SER QB 1 104 PHE QE . . 4.260 3.197 2.086 4.129 . 0 0 "[ . 1 . 2]" 1
1193 1 102 SER HB2 1 103 PRO HA . . 4.920 3.052 1.987 3.802 . 0 0 "[ . 1 . 2]" 1
1194 1 102 SER HB3 1 103 PRO HA . . 4.920 2.914 1.985 3.788 . 0 0 "[ . 1 . 2]" 1
1195 1 102 SER HG 1 103 PRO HA . . 5.190 3.378 2.143 4.597 . 0 0 "[ . 1 . 2]" 1
1196 1 103 PRO HA 1 104 PHE H . . 3.240 2.289 2.172 2.534 . 0 0 "[ . 1 . 2]" 1
1197 1 103 PRO HA 1 104 PHE QD . . 4.360 4.134 3.431 4.359 . 0 0 "[ . 1 . 2]" 1
1198 1 103 PRO HB2 1 104 PHE H . . 4.190 2.954 2.297 3.380 . 0 0 "[ . 1 . 2]" 1
1199 1 103 PRO HB3 1 104 PHE H . . 4.190 3.646 3.302 3.899 . 0 0 "[ . 1 . 2]" 1
1200 1 104 PHE H 1 104 PHE HB2 . . 4.050 2.512 2.326 2.729 . 0 0 "[ . 1 . 2]" 1
1201 1 104 PHE H 1 104 PHE QB . . 3.480 2.471 2.299 2.673 . 0 0 "[ . 1 . 2]" 1
1202 1 104 PHE H 1 104 PHE HB3 . . 4.050 3.671 3.587 3.817 . 0 0 "[ . 1 . 2]" 1
1203 1 104 PHE H 1 104 PHE QD . . 3.430 2.996 2.654 3.312 . 0 0 "[ . 1 . 2]" 1
1204 1 104 PHE H 1 105 LYS H . . 4.590 4.395 4.132 4.556 . 0 0 "[ . 1 . 2]" 1
1205 1 104 PHE HA 1 104 PHE QD . . 3.860 2.515 2.242 2.910 . 0 0 "[ . 1 . 2]" 1
1206 1 104 PHE HA 1 105 LYS H . . 2.730 2.149 2.137 2.218 . 0 0 "[ . 1 . 2]" 1
1207 1 104 PHE QB 1 105 LYS H . . 3.500 3.284 2.880 3.500 0.000 10 0 "[ . 1 . 2]" 1
1208 1 104 PHE QD 1 105 LYS H . . 4.410 4.023 3.705 4.393 . 0 0 "[ . 1 . 2]" 1
1209 1 105 LYS H 1 105 LYS HB2 . . 3.700 2.683 2.303 3.708 0.008 18 0 "[ . 1 . 2]" 1
1210 1 105 LYS H 1 105 LYS QB . . 3.060 2.452 2.277 3.050 . 0 0 "[ . 1 . 2]" 1
1211 1 105 LYS H 1 105 LYS HB3 . . 3.700 3.332 2.455 3.685 . 0 0 "[ . 1 . 2]" 1
1212 1 105 LYS H 1 105 LYS HG2 . . 4.760 3.783 1.948 4.671 . 0 0 "[ . 1 . 2]" 1
1213 1 105 LYS H 1 105 LYS QG . . 4.010 2.996 1.925 4.020 0.010 1 0 "[ . 1 . 2]" 1
1214 1 105 LYS H 1 105 LYS HG3 . . 4.760 3.343 2.083 4.693 . 0 0 "[ . 1 . 2]" 1
1215 1 105 LYS H 1 106 ALA H . . 4.520 4.165 3.883 4.458 . 0 0 "[ . 1 . 2]" 1
1216 1 105 LYS HA 1 106 ALA H . . 3.070 2.188 2.141 2.323 . 0 0 "[ . 1 . 2]" 1
1217 1 105 LYS QB 1 105 LYS QE . . 3.540 2.522 1.992 3.517 . 0 0 "[ . 1 . 2]" 1
1218 1 105 LYS HB2 1 105 LYS QE . . 4.260 3.323 2.147 4.032 . 0 0 "[ . 1 . 2]" 1
1219 1 105 LYS HB2 1 106 ALA H . . 4.550 4.347 3.227 4.558 0.008 19 0 "[ . 1 . 2]" 1
1220 1 105 LYS HB3 1 105 LYS QE . . 4.260 2.756 2.005 4.110 . 0 0 "[ . 1 . 2]" 1
1221 1 105 LYS HB3 1 106 ALA H . . 4.550 4.002 3.555 4.520 . 0 0 "[ . 1 . 2]" 1
1222 1 105 LYS QE 1 105 LYS HG2 . . 3.870 2.545 2.205 3.350 . 0 0 "[ . 1 . 2]" 1
1223 1 105 LYS QE 1 105 LYS HG3 . . 3.870 2.905 2.150 3.468 . 0 0 "[ . 1 . 2]" 1
1224 1 106 ALA H 1 106 ALA MB . . 3.310 2.377 2.205 2.523 . 0 0 "[ . 1 . 2]" 1
1225 1 106 ALA H 1 107 LYS H . . 4.920 4.514 4.355 4.596 . 0 0 "[ . 1 . 2]" 1
1226 1 106 ALA HA 1 107 LYS H . . 2.820 2.264 2.150 2.392 . 0 0 "[ . 1 . 2]" 1
1227 1 106 ALA HA 1 107 LYS HB2 . . 4.760 4.418 4.260 4.628 . 0 0 "[ . 1 . 2]" 1
1228 1 106 ALA HA 1 107 LYS QB . . 4.190 3.996 3.932 4.059 . 0 0 "[ . 1 . 2]" 1
1229 1 106 ALA HA 1 107 LYS HB3 . . 4.760 4.575 4.389 4.753 . 0 0 "[ . 1 . 2]" 1
1230 1 106 ALA MB 1 107 LYS H . . 3.550 2.759 2.467 3.104 . 0 0 "[ . 1 . 2]" 1
1231 1 107 LYS H 1 107 LYS HB2 . . 3.300 2.977 2.683 3.281 . 0 0 "[ . 1 . 2]" 1
1232 1 107 LYS H 1 107 LYS HB3 . . 3.300 2.584 2.399 2.764 . 0 0 "[ . 1 . 2]" 1
1233 1 107 LYS H 1 107 LYS HG2 . . 4.780 4.494 4.262 4.753 . 0 0 "[ . 1 . 2]" 1
1234 1 107 LYS H 1 107 LYS QG . . 4.200 4.026 3.914 4.112 . 0 0 "[ . 1 . 2]" 1
1235 1 107 LYS H 1 107 LYS HG3 . . 4.780 4.565 4.380 4.678 . 0 0 "[ . 1 . 2]" 1
1236 1 107 LYS H 1 108 VAL H . . 4.470 4.335 4.163 4.446 . 0 0 "[ . 1 . 2]" 1
1237 1 107 LYS HA 1 107 LYS QD . . 4.650 3.684 2.299 4.191 . 0 0 "[ . 1 . 2]" 1
1238 1 107 LYS HA 1 107 LYS HG2 . . 4.060 3.369 2.673 3.834 . 0 0 "[ . 1 . 2]" 1
1239 1 107 LYS HA 1 107 LYS QG . . 3.560 2.492 2.323 2.771 . 0 0 "[ . 1 . 2]" 1
1240 1 107 LYS HA 1 107 LYS HG3 . . 4.060 2.582 2.369 2.844 . 0 0 "[ . 1 . 2]" 1
1241 1 107 LYS HA 1 108 VAL H . . 2.900 2.147 2.141 2.175 . 0 0 "[ . 1 . 2]" 1
1242 1 107 LYS HA 1 108 VAL HB . . 4.910 4.819 4.704 4.909 . 0 0 "[ . 1 . 2]" 1
1243 1 107 LYS QB 1 107 LYS QE . . 4.140 2.605 1.985 3.729 . 0 0 "[ . 1 . 2]" 1
1244 1 107 LYS HB2 1 107 LYS QE . . 4.710 3.090 2.089 4.111 . 0 0 "[ . 1 . 2]" 1
1245 1 107 LYS HB2 1 108 VAL H . . 4.540 4.287 4.128 4.410 . 0 0 "[ . 1 . 2]" 1
1246 1 107 LYS HB3 1 107 LYS QE . . 4.710 3.128 2.015 4.419 . 0 0 "[ . 1 . 2]" 1
1247 1 107 LYS HB3 1 108 VAL H . . 4.540 4.255 4.112 4.395 . 0 0 "[ . 1 . 2]" 1
1248 1 107 LYS QE 1 107 LYS QG . . 3.490 2.273 2.055 2.664 . 0 0 "[ . 1 . 2]" 1
1249 1 107 LYS HG2 1 108 VAL H . . 4.450 3.688 2.795 4.443 . 0 0 "[ . 1 . 2]" 1
1250 1 107 LYS HG3 1 108 VAL H . . 4.450 3.086 2.537 3.852 . 0 0 "[ . 1 . 2]" 1
1251 1 108 VAL H 1 108 VAL HB . . 3.350 2.696 2.597 2.819 . 0 0 "[ . 1 . 2]" 1
1252 1 108 VAL H 1 108 VAL MG1 . . 4.130 3.823 3.803 3.864 . 0 0 "[ . 1 . 2]" 1
1253 1 108 VAL H 1 108 VAL MG2 . . 3.540 2.221 1.951 2.450 . 0 0 "[ . 1 . 2]" 1
1254 1 108 VAL H 1 109 THR H . . 4.620 4.492 4.281 4.584 . 0 0 "[ . 1 . 2]" 1
1255 1 108 VAL HA 1 108 VAL MG1 . . 3.470 2.248 2.082 2.361 . 0 0 "[ . 1 . 2]" 1
1256 1 108 VAL HA 1 108 VAL MG2 . . 3.500 2.515 2.438 2.589 . 0 0 "[ . 1 . 2]" 1
1257 1 108 VAL HA 1 109 THR H . . 2.820 2.183 2.140 2.272 . 0 0 "[ . 1 . 2]" 1
1258 1 108 VAL HB 1 109 THR H . . 4.590 3.950 3.587 4.195 . 0 0 "[ . 1 . 2]" 1
1259 1 108 VAL MG1 1 109 THR H . . 3.310 2.453 2.027 2.934 . 0 0 "[ . 1 . 2]" 1
1260 1 108 VAL MG2 1 109 THR H . . 4.330 4.146 4.005 4.325 . 0 0 "[ . 1 . 2]" 1
1261 1 109 THR H 1 109 THR HB . . 4.040 3.802 3.579 3.909 . 0 0 "[ . 1 . 2]" 1
1262 1 109 THR H 1 109 THR MG . . 3.410 3.012 2.620 3.263 . 0 0 "[ . 1 . 2]" 1
1263 1 109 THR HA 1 109 THR MG . . 3.230 2.282 2.125 2.404 . 0 0 "[ . 1 . 2]" 1
1264 1 109 THR HB 1 110 GLY H . . 3.420 2.589 1.928 3.190 . 0 0 "[ . 1 . 2]" 1
1265 1 109 THR HB 1 110 GLY QA . . 4.020 3.808 3.576 4.007 . 0 0 "[ . 1 . 2]" 1
1266 1 109 THR MG 1 110 GLY H . . 4.020 3.666 3.382 3.952 . 0 0 "[ . 1 . 2]" 1
1267 1 110 GLY H 1 111 GLN H . . 4.540 4.114 3.445 4.504 . 0 0 "[ . 1 . 2]" 1
1268 1 110 GLY QA 1 111 GLN H . . 3.010 2.200 2.112 2.284 . 0 0 "[ . 1 . 2]" 1
1269 1 110 GLY QA 1 111 GLN HA . . 4.500 4.019 3.935 4.161 . 0 0 "[ . 1 . 2]" 1
1270 1 110 GLY HA2 1 111 GLN H . . 3.440 2.458 2.140 3.470 0.030 6 0 "[ . 1 . 2]" 1
1271 1 110 GLY HA3 1 111 GLN H . . 3.440 2.829 2.221 3.504 0.064 8 0 "[ . 1 . 2]" 1
1272 1 111 GLN H 1 111 GLN HB2 . . 3.820 3.157 2.206 3.822 0.002 19 0 "[ . 1 . 2]" 1
1273 1 111 GLN H 1 111 GLN QB . . 3.180 2.545 2.184 3.234 0.054 6 0 "[ . 1 . 2]" 1
1274 1 111 GLN H 1 111 GLN HB3 . . 3.820 3.069 2.300 3.875 0.055 16 0 "[ . 1 . 2]" 1
1275 1 111 GLN H 1 111 GLN QG . . 3.750 2.597 1.908 3.730 . 0 0 "[ . 1 . 2]" 1
1276 1 111 GLN HA 1 111 GLN QG . . 3.660 2.980 2.212 3.438 . 0 0 "[ . 1 . 2]" 1
1277 1 112 ARG HA 1 112 ARG QG . . 3.690 2.731 2.257 3.383 . 0 0 "[ . 1 . 2]" 1
1278 1 112 ARG HA 1 113 LEU H . . 3.060 2.213 2.141 2.404 . 0 0 "[ . 1 . 2]" 1
1279 1 112 ARG HA 1 113 LEU HA . . 4.800 4.388 4.317 4.464 . 0 0 "[ . 1 . 2]" 1
1280 1 112 ARG HA 1 113 LEU HG . . 4.430 3.862 3.385 4.376 . 0 0 "[ . 1 . 2]" 1
1281 1 112 ARG QB 1 112 ARG QD . . 3.320 2.217 2.012 2.586 . 0 0 "[ . 1 . 2]" 1
1282 1 112 ARG QB 1 113 LEU H . . 3.810 3.278 2.418 3.810 0.000 17 0 "[ . 1 . 2]" 1
1283 1 112 ARG HB2 1 112 ARG QD . . 3.790 2.544 2.192 3.220 . 0 0 "[ . 1 . 2]" 1
1284 1 112 ARG HB2 1 113 LEU H . . 4.530 3.852 2.448 4.486 . 0 0 "[ . 1 . 2]" 1
1285 1 112 ARG HB3 1 112 ARG QD . . 3.790 2.555 2.078 3.499 . 0 0 "[ . 1 . 2]" 1
1286 1 112 ARG HB3 1 113 LEU H . . 4.530 3.802 2.743 4.401 . 0 0 "[ . 1 . 2]" 1
1287 1 113 LEU H 1 113 LEU QB . . 3.400 2.488 2.263 2.737 . 0 0 "[ . 1 . 2]" 1
1288 1 113 LEU H 1 113 LEU MD1 . . 4.170 3.553 1.906 4.026 . 0 0 "[ . 1 . 2]" 1
1289 1 113 LEU H 1 113 LEU MD2 . . 4.330 3.575 2.809 4.264 . 0 0 "[ . 1 . 2]" 1
1290 1 113 LEU H 1 113 LEU HG . . 3.800 2.518 1.963 3.231 . 0 0 "[ . 1 . 2]" 1
1291 1 113 LEU HA 1 113 LEU MD2 . . 3.580 2.296 1.978 3.571 . 0 0 "[ . 1 . 2]" 1
1292 1 113 LEU HA 1 113 LEU HG . . 3.910 3.055 2.529 3.429 . 0 0 "[ . 1 . 2]" 1
1293 1 113 LEU QB 1 113 LEU MD1 . . 2.950 2.042 1.932 2.098 . 0 0 "[ . 1 . 2]" 1
1294 1 113 LEU HB2 1 113 LEU MD1 . . 3.460 2.191 1.984 2.375 . 0 0 "[ . 1 . 2]" 1
1295 1 113 LEU HB3 1 113 LEU MD1 . . 3.460 2.510 2.324 3.113 . 0 0 "[ . 1 . 2]" 1
1296 1 119 ALA MB 1 120 ASN H . . 4.900 3.098 2.328 3.680 . 0 0 "[ . 1 . 2]" 1
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