NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402740 |
1wft   |
10008 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wft
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 1360
_Distance_constraint_stats_list.Viol_count 465
_Distance_constraint_stats_list.Viol_total 167.589
_Distance_constraint_stats_list.Viol_max 0.345
_Distance_constraint_stats_list.Viol_rms 0.0051
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0180
_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 7 GLY 0.001 0.001 9 0 "[ . 1 . 2]"
1 8 PRO 0.009 0.007 10 0 "[ . 1 . 2]"
1 9 GLY 0.010 0.007 10 0 "[ . 1 . 2]"
1 10 ALA 0.006 0.006 10 0 "[ . 1 . 2]"
1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 THR 0.003 0.003 13 0 "[ . 1 . 2]"
1 14 VAL 0.020 0.010 18 0 "[ . 1 . 2]"
1 15 ARG 0.007 0.004 16 0 "[ . 1 . 2]"
1 16 ILE 0.098 0.013 11 0 "[ . 1 . 2]"
1 17 SER 0.038 0.010 12 0 "[ . 1 . 2]"
1 18 LYS 0.069 0.024 18 0 "[ . 1 . 2]"
1 19 ASN 0.051 0.024 18 0 "[ . 1 . 2]"
1 20 VAL 0.009 0.009 4 0 "[ . 1 . 2]"
1 21 ASP 0.009 0.009 4 0 "[ . 1 . 2]"
1 22 GLY 0.034 0.021 12 0 "[ . 1 . 2]"
1 23 ILE 0.076 0.018 17 0 "[ . 1 . 2]"
1 24 HIS 0.024 0.010 13 0 "[ . 1 . 2]"
1 25 LEU 0.169 0.028 10 0 "[ . 1 . 2]"
1 26 SER 0.083 0.028 11 0 "[ . 1 . 2]"
1 27 TRP 0.210 0.029 19 0 "[ . 1 . 2]"
1 28 GLU 0.040 0.026 19 0 "[ . 1 . 2]"
1 29 PRO 0.049 0.026 19 0 "[ . 1 . 2]"
1 30 PRO 0.246 0.127 14 0 "[ . 1 . 2]"
1 31 THR 0.260 0.127 14 0 "[ . 1 . 2]"
1 32 SER 0.548 0.093 12 0 "[ . 1 . 2]"
1 33 PRO 0.515 0.093 12 0 "[ . 1 . 2]"
1 34 SER 0.042 0.011 10 0 "[ . 1 . 2]"
1 36 ASN 0.038 0.013 20 0 "[ . 1 . 2]"
1 37 ILE 0.116 0.042 10 0 "[ . 1 . 2]"
1 38 LEU 0.022 0.009 11 0 "[ . 1 . 2]"
1 39 GLU 0.105 0.050 19 0 "[ . 1 . 2]"
1 40 TYR 0.048 0.015 19 0 "[ . 1 . 2]"
1 41 SER 0.066 0.025 11 0 "[ . 1 . 2]"
1 42 ALA 0.029 0.013 11 0 "[ . 1 . 2]"
1 43 TYR 0.036 0.019 16 0 "[ . 1 . 2]"
1 44 LEU 0.095 0.066 16 0 "[ . 1 . 2]"
1 45 ALA 0.030 0.016 19 0 "[ . 1 . 2]"
1 46 ILE 0.178 0.079 14 0 "[ . 1 . 2]"
1 47 ARG 0.081 0.044 16 0 "[ . 1 . 2]"
1 48 THR 0.037 0.035 16 0 "[ . 1 . 2]"
1 50 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 PRO 0.011 0.011 6 0 "[ . 1 . 2]"
1 56 SER 0.011 0.011 6 0 "[ . 1 . 2]"
1 57 GLN 0.909 0.060 18 0 "[ . 1 . 2]"
1 58 LEU 1.035 0.060 18 0 "[ . 1 . 2]"
1 59 VAL 0.055 0.043 14 0 "[ . 1 . 2]"
1 60 PHE 0.073 0.043 14 0 "[ . 1 . 2]"
1 61 MET 0.187 0.079 14 0 "[ . 1 . 2]"
1 62 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ILE 0.030 0.015 16 0 "[ . 1 . 2]"
1 64 TYR 0.041 0.013 11 0 "[ . 1 . 2]"
1 65 CYS 0.017 0.013 19 0 "[ . 1 . 2]"
1 66 GLY 0.034 0.015 19 0 "[ . 1 . 2]"
1 67 LEU 0.231 0.050 19 0 "[ . 1 . 2]"
1 68 LYS 1.068 0.098 14 0 "[ . 1 . 2]"
1 69 THR 0.584 0.098 14 0 "[ . 1 . 2]"
1 70 SER 0.199 0.031 15 0 "[ . 1 . 2]"
1 71 CYS 0.172 0.061 13 0 "[ . 1 . 2]"
1 72 THR 0.114 0.061 13 0 "[ . 1 . 2]"
1 73 VAL 0.049 0.015 16 0 "[ . 1 . 2]"
1 74 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 0.047 0.008 13 0 "[ . 1 . 2]"
1 79 ALA 0.009 0.005 18 0 "[ . 1 . 2]"
1 80 ASN 0.019 0.009 14 0 "[ . 1 . 2]"
1 81 ALA 0.072 0.020 11 0 "[ . 1 . 2]"
1 82 HIS 0.017 0.006 10 0 "[ . 1 . 2]"
1 83 ILE 0.290 0.078 11 0 "[ . 1 . 2]"
1 84 ASP 0.096 0.025 19 0 "[ . 1 . 2]"
1 85 TYR 0.480 0.078 11 0 "[ . 1 . 2]"
1 86 THR 0.034 0.015 3 0 "[ . 1 . 2]"
1 87 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ARG 0.236 0.075 20 0 "[ . 1 . 2]"
1 89 PRO 0.585 0.075 20 0 "[ . 1 . 2]"
1 90 ALA 0.090 0.020 20 0 "[ . 1 . 2]"
1 91 ILE 1.455 0.345 15 0 "[ . 1 . 2]"
1 92 VAL 0.044 0.016 19 0 "[ . 1 . 2]"
1 93 PHE 0.110 0.015 10 0 "[ . 1 . 2]"
1 94 ARG 0.126 0.025 4 0 "[ . 1 . 2]"
1 95 ILE 0.206 0.049 20 0 "[ . 1 . 2]"
1 96 SER 0.123 0.039 7 0 "[ . 1 . 2]"
1 97 ALA 0.045 0.010 11 0 "[ . 1 . 2]"
1 98 LYS 0.010 0.009 20 0 "[ . 1 . 2]"
1 99 ASN 0.065 0.025 16 0 "[ . 1 . 2]"
1 100 GLU 0.030 0.025 16 0 "[ . 1 . 2]"
1 101 LYS 0.375 0.134 15 0 "[ . 1 . 2]"
1 102 GLY 0.003 0.002 13 0 "[ . 1 . 2]"
1 103 TYR 0.052 0.017 19 0 "[ . 1 . 2]"
1 104 GLY 0.037 0.017 19 0 "[ . 1 . 2]"
1 105 PRO 0.010 0.005 1 0 "[ . 1 . 2]"
1 106 ALA 0.071 0.039 7 0 "[ . 1 . 2]"
1 107 THR 0.170 0.070 19 0 "[ . 1 . 2]"
1 108 GLN 0.140 0.070 19 0 "[ . 1 . 2]"
1 109 ILE 0.164 0.015 10 0 "[ . 1 . 2]"
1 110 ARG 0.153 0.087 20 0 "[ . 1 . 2]"
1 111 TRP 0.115 0.016 19 0 "[ . 1 . 2]"
1 112 LEU 0.156 0.043 12 0 "[ . 1 . 2]"
1 113 GLN 0.056 0.043 12 0 "[ . 1 . 2]"
1 114 GLY 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 7 GLY H 1 8 PRO HD2 . . 5.360 4.520 3.466 4.809 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY H 1 8 PRO QD . . 4.680 4.180 3.367 4.379 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY H 1 8 PRO HD3 . . 5.360 4.978 4.110 5.128 . 0 0 "[ . 1 . 2]" 1
4 1 7 GLY QA 1 8 PRO QD . . 3.160 1.967 1.874 2.034 . 0 0 "[ . 1 . 2]" 1
5 1 7 GLY QA 1 8 PRO QG . . 4.670 3.679 3.653 3.699 . 0 0 "[ . 1 . 2]" 1
6 1 7 GLY QA 1 99 ASN QD . . 3.780 3.296 2.657 3.781 0.001 9 0 "[ . 1 . 2]" 1
7 1 8 PRO HA 1 9 GLY H . . 3.480 2.706 2.155 3.462 . 0 0 "[ . 1 . 2]" 1
8 1 8 PRO HA 1 34 SER QB . . 4.540 2.729 1.873 4.389 . 0 0 "[ . 1 . 2]" 1
9 1 8 PRO QB 1 9 GLY H . . 3.650 3.073 2.065 3.657 0.007 10 0 "[ . 1 . 2]" 1
10 1 8 PRO QB 1 34 SER QB . . 3.750 3.267 2.133 3.747 . 0 0 "[ . 1 . 2]" 1
11 1 8 PRO QB 1 37 ILE MD . . 3.850 2.751 2.042 3.806 . 0 0 "[ . 1 . 2]" 1
12 1 8 PRO QB 1 97 ALA MB . . 3.870 2.336 1.852 3.197 . 0 0 "[ . 1 . 2]" 1
13 1 8 PRO QD 1 98 LYS HA . . 5.350 4.559 3.414 5.298 . 0 0 "[ . 1 . 2]" 1
14 1 8 PRO QD 1 99 ASN H . . 4.410 3.784 2.718 4.409 . 0 0 "[ . 1 . 2]" 1
15 1 8 PRO QD 1 99 ASN QD . . 4.540 2.667 1.883 3.752 . 0 0 "[ . 1 . 2]" 1
16 1 8 PRO QD 1 104 GLY H . . 4.010 3.040 2.310 4.004 . 0 0 "[ . 1 . 2]" 1
17 1 8 PRO QD 1 104 GLY QA . . 4.060 2.597 1.975 3.366 . 0 0 "[ . 1 . 2]" 1
18 1 8 PRO HD2 1 104 GLY H . . 4.870 3.124 2.337 4.264 . 0 0 "[ . 1 . 2]" 1
19 1 8 PRO HD3 1 104 GLY H . . 4.870 4.301 3.606 4.858 . 0 0 "[ . 1 . 2]" 1
20 1 8 PRO QG 1 97 ALA HA . . 5.260 4.533 3.877 5.250 . 0 0 "[ . 1 . 2]" 1
21 1 8 PRO QG 1 97 ALA MB . . 3.140 2.663 2.232 3.117 . 0 0 "[ . 1 . 2]" 1
22 1 8 PRO QG 1 99 ASN H . . 4.400 3.219 2.830 3.555 . 0 0 "[ . 1 . 2]" 1
23 1 8 PRO QG 1 104 GLY H . . 3.930 2.782 1.955 3.537 . 0 0 "[ . 1 . 2]" 1
24 1 8 PRO QG 1 104 GLY QA . . 4.810 3.268 1.968 4.171 . 0 0 "[ . 1 . 2]" 1
25 1 8 PRO HG2 1 97 ALA MB . . 3.620 2.969 2.311 3.577 . 0 0 "[ . 1 . 2]" 1
26 1 8 PRO HG2 1 99 ASN H . . 5.090 4.860 4.302 5.091 0.001 12 0 "[ . 1 . 2]" 1
27 1 8 PRO HG2 1 104 GLY H . . 4.680 2.937 2.044 3.802 . 0 0 "[ . 1 . 2]" 1
28 1 8 PRO HG3 1 97 ALA MB . . 3.620 3.087 2.419 3.533 . 0 0 "[ . 1 . 2]" 1
29 1 8 PRO HG3 1 99 ASN H . . 5.090 3.268 2.870 3.645 . 0 0 "[ . 1 . 2]" 1
30 1 8 PRO HG3 1 104 GLY H . . 4.680 3.556 2.491 4.209 . 0 0 "[ . 1 . 2]" 1
31 1 9 GLY H 1 10 ALA H . . 4.760 4.472 4.060 4.648 . 0 0 "[ . 1 . 2]" 1
32 1 9 GLY HA2 1 10 ALA H . . 3.160 2.353 2.166 2.718 . 0 0 "[ . 1 . 2]" 1
33 1 9 GLY HA2 1 10 ALA MB . . 4.510 3.973 3.836 4.101 . 0 0 "[ . 1 . 2]" 1
34 1 9 GLY HA2 1 30 PRO HB2 . . 5.340 4.737 4.011 5.249 . 0 0 "[ . 1 . 2]" 1
35 1 9 GLY HA2 1 30 PRO QB . . 4.500 4.075 3.374 4.451 . 0 0 "[ . 1 . 2]" 1
36 1 9 GLY HA2 1 30 PRO HB3 . . 5.340 4.468 3.628 4.822 . 0 0 "[ . 1 . 2]" 1
37 1 9 GLY HA2 1 105 PRO HG2 . . 4.520 3.484 2.765 4.116 . 0 0 "[ . 1 . 2]" 1
38 1 9 GLY HA2 1 105 PRO HG3 . . 4.520 3.550 2.589 4.522 0.002 16 0 "[ . 1 . 2]" 1
39 1 9 GLY HA3 1 10 ALA H . . 3.160 2.816 2.418 3.110 . 0 0 "[ . 1 . 2]" 1
40 1 9 GLY HA3 1 10 ALA MB . . 4.810 4.559 4.311 4.745 . 0 0 "[ . 1 . 2]" 1
41 1 9 GLY HA3 1 30 PRO HB2 . . 4.690 3.068 2.381 3.652 . 0 0 "[ . 1 . 2]" 1
42 1 9 GLY HA3 1 30 PRO QB . . 3.980 2.713 2.131 3.222 . 0 0 "[ . 1 . 2]" 1
43 1 9 GLY HA3 1 30 PRO HB3 . . 4.690 3.093 2.383 3.584 . 0 0 "[ . 1 . 2]" 1
44 1 9 GLY HA3 1 105 PRO QG . . 5.350 4.471 3.808 5.225 . 0 0 "[ . 1 . 2]" 1
45 1 10 ALA H 1 10 ALA MB . . 2.940 2.225 2.075 2.428 . 0 0 "[ . 1 . 2]" 1
46 1 10 ALA H 1 105 PRO HG2 . . 4.540 3.327 2.337 3.806 . 0 0 "[ . 1 . 2]" 1
47 1 10 ALA H 1 105 PRO HG3 . . 4.540 4.031 2.860 4.531 . 0 0 "[ . 1 . 2]" 1
48 1 10 ALA MB 1 11 PRO HD2 . . 3.780 2.206 1.973 2.570 . 0 0 "[ . 1 . 2]" 1
49 1 10 ALA MB 1 11 PRO HD3 . . 3.780 3.351 3.160 3.606 . 0 0 "[ . 1 . 2]" 1
50 1 10 ALA MB 1 11 PRO QG . . 4.140 3.630 3.451 3.864 . 0 0 "[ . 1 . 2]" 1
51 1 10 ALA MB 1 105 PRO QB . . 4.300 2.709 1.956 3.344 . 0 0 "[ . 1 . 2]" 1
52 1 10 ALA MB 1 105 PRO HG2 . . 4.180 2.687 1.998 3.196 . 0 0 "[ . 1 . 2]" 1
53 1 10 ALA MB 1 105 PRO QG . . 3.390 2.622 1.982 3.058 . 0 0 "[ . 1 . 2]" 1
54 1 10 ALA MB 1 105 PRO HG3 . . 4.180 3.734 3.294 4.068 . 0 0 "[ . 1 . 2]" 1
55 1 10 ALA MB 1 107 THR H . . 4.250 3.660 3.018 4.230 . 0 0 "[ . 1 . 2]" 1
56 1 10 ALA MB 1 107 THR HA . . 4.140 3.926 3.194 4.146 0.006 10 0 "[ . 1 . 2]" 1
57 1 10 ALA MB 1 107 THR HB . . 4.050 3.711 2.196 4.032 . 0 0 "[ . 1 . 2]" 1
58 1 11 PRO HA 1 12 SER H . . 3.190 2.210 2.150 2.319 . 0 0 "[ . 1 . 2]" 1
59 1 11 PRO QB 1 12 SER H . . 3.810 3.095 2.728 3.574 . 0 0 "[ . 1 . 2]" 1
60 1 11 PRO QB 1 14 VAL MG2 . . 4.320 2.770 2.337 3.268 . 0 0 "[ . 1 . 2]" 1
61 1 11 PRO QB 1 27 TRP HD1 . . 3.800 2.714 1.967 3.581 . 0 0 "[ . 1 . 2]" 1
62 1 11 PRO QB 1 95 ILE HB . . 4.310 3.861 3.272 4.310 . 0 0 "[ . 1 . 2]" 1
63 1 11 PRO QB 1 95 ILE MG . . 3.780 2.996 2.455 3.531 . 0 0 "[ . 1 . 2]" 1
64 1 11 PRO HB2 1 12 SER H . . 4.420 3.271 2.831 3.855 . 0 0 "[ . 1 . 2]" 1
65 1 11 PRO HB2 1 27 TRP HD1 . . 4.480 3.262 2.285 4.106 . 0 0 "[ . 1 . 2]" 1
66 1 11 PRO HB2 1 95 ILE MG . . 4.360 3.520 2.884 4.073 . 0 0 "[ . 1 . 2]" 1
67 1 11 PRO HB3 1 12 SER H . . 4.420 3.836 3.569 4.228 . 0 0 "[ . 1 . 2]" 1
68 1 11 PRO HB3 1 27 TRP HD1 . . 4.480 2.918 2.070 3.944 . 0 0 "[ . 1 . 2]" 1
69 1 11 PRO HB3 1 95 ILE MG . . 4.360 3.267 2.553 3.871 . 0 0 "[ . 1 . 2]" 1
70 1 11 PRO QD 1 95 ILE HB . . 4.410 3.834 3.469 4.378 . 0 0 "[ . 1 . 2]" 1
71 1 11 PRO QG 1 95 ILE HB . . 4.030 2.337 1.964 2.700 . 0 0 "[ . 1 . 2]" 1
72 1 11 PRO QG 1 95 ILE MG . . 3.420 2.044 1.844 2.537 . 0 0 "[ . 1 . 2]" 1
73 1 12 SER H 1 13 THR H . . 4.630 4.473 4.425 4.571 . 0 0 "[ . 1 . 2]" 1
74 1 12 SER H 1 28 GLU H . . 4.310 3.704 3.101 4.269 . 0 0 "[ . 1 . 2]" 1
75 1 12 SER H 1 28 GLU HB2 . . 4.460 3.646 2.880 4.173 . 0 0 "[ . 1 . 2]" 1
76 1 12 SER QB 1 13 THR H . . 3.410 2.639 2.192 3.318 . 0 0 "[ . 1 . 2]" 1
77 1 12 SER HB2 1 13 THR H . . 4.090 3.546 2.372 3.969 . 0 0 "[ . 1 . 2]" 1
78 1 12 SER HB3 1 13 THR H . . 4.090 2.932 2.213 3.907 . 0 0 "[ . 1 . 2]" 1
79 1 13 THR H 1 13 THR MG . . 4.400 3.940 3.818 4.006 . 0 0 "[ . 1 . 2]" 1
80 1 13 THR H 1 14 VAL H . . 3.740 2.727 2.518 2.962 . 0 0 "[ . 1 . 2]" 1
81 1 13 THR HA 1 13 THR MG . . 3.090 2.256 2.144 2.345 . 0 0 "[ . 1 . 2]" 1
82 1 13 THR HA 1 14 VAL H . . 3.120 2.733 2.649 2.827 . 0 0 "[ . 1 . 2]" 1
83 1 13 THR HA 1 14 VAL HB . . 5.220 5.096 4.981 5.197 . 0 0 "[ . 1 . 2]" 1
84 1 13 THR HA 1 14 VAL MG2 . . 4.530 4.470 4.343 4.527 . 0 0 "[ . 1 . 2]" 1
85 1 13 THR HB 1 14 VAL H . . 4.690 4.264 4.191 4.327 . 0 0 "[ . 1 . 2]" 1
86 1 13 THR HB 1 27 TRP HA . . 4.960 4.536 4.017 4.963 0.003 13 0 "[ . 1 . 2]" 1
87 1 13 THR HB 1 28 GLU H . . 4.420 3.698 3.117 4.297 . 0 0 "[ . 1 . 2]" 1
88 1 13 THR HB 1 28 GLU HB2 . . 3.810 2.575 2.004 3.135 . 0 0 "[ . 1 . 2]" 1
89 1 13 THR HB 1 28 GLU HB3 . . 4.670 4.008 3.566 4.628 . 0 0 "[ . 1 . 2]" 1
90 1 13 THR HB 1 28 GLU HG2 . . 3.930 3.050 2.134 3.921 . 0 0 "[ . 1 . 2]" 1
91 1 13 THR HB 1 28 GLU QG . . 3.370 2.422 1.966 2.929 . 0 0 "[ . 1 . 2]" 1
92 1 13 THR HB 1 28 GLU HG3 . . 3.930 2.708 2.084 3.412 . 0 0 "[ . 1 . 2]" 1
93 1 13 THR MG 1 14 VAL H . . 4.170 4.067 3.975 4.164 . 0 0 "[ . 1 . 2]" 1
94 1 13 THR MG 1 15 ARG QD . . 4.110 3.484 1.962 4.060 . 0 0 "[ . 1 . 2]" 1
95 1 13 THR MG 1 15 ARG QG . . 3.510 3.046 2.652 3.510 0.000 12 0 "[ . 1 . 2]" 1
96 1 13 THR MG 1 28 GLU HG2 . . 4.010 3.477 2.735 3.976 . 0 0 "[ . 1 . 2]" 1
97 1 13 THR MG 1 28 GLU QG . . 3.400 2.801 2.434 3.391 . 0 0 "[ . 1 . 2]" 1
98 1 13 THR MG 1 28 GLU HG3 . . 4.010 3.034 2.486 3.721 . 0 0 "[ . 1 . 2]" 1
99 1 14 VAL H 1 14 VAL HB . . 3.150 2.485 2.407 2.551 . 0 0 "[ . 1 . 2]" 1
100 1 14 VAL H 1 14 VAL MG1 . . 4.230 3.768 3.745 3.789 . 0 0 "[ . 1 . 2]" 1
101 1 14 VAL H 1 14 VAL MG2 . . 3.080 2.313 2.118 2.587 . 0 0 "[ . 1 . 2]" 1
102 1 14 VAL HB 1 95 ILE MD . . 4.460 4.309 3.922 4.459 . 0 0 "[ . 1 . 2]" 1
103 1 14 VAL HB 1 109 ILE MD . . 3.000 2.470 2.025 2.981 . 0 0 "[ . 1 . 2]" 1
104 1 14 VAL MG1 1 15 ARG H . . 3.420 2.752 2.160 3.072 . 0 0 "[ . 1 . 2]" 1
105 1 14 VAL MG1 1 16 ILE H . . 5.070 4.548 4.158 4.845 . 0 0 "[ . 1 . 2]" 1
106 1 14 VAL MG1 1 25 LEU MD1 . . 3.990 3.532 3.190 3.764 . 0 0 "[ . 1 . 2]" 1
107 1 14 VAL MG1 1 25 LEU MD2 . . 3.800 3.489 3.179 3.719 . 0 0 "[ . 1 . 2]" 1
108 1 14 VAL MG1 1 26 SER H . . 4.370 3.595 3.211 4.034 . 0 0 "[ . 1 . 2]" 1
109 1 14 VAL MG1 1 27 TRP HA . . 4.460 3.502 3.128 3.819 . 0 0 "[ . 1 . 2]" 1
110 1 14 VAL MG1 1 27 TRP HB2 . . 4.430 3.595 3.178 4.122 . 0 0 "[ . 1 . 2]" 1
111 1 14 VAL MG1 1 27 TRP QB . . 3.790 2.434 2.015 2.944 . 0 0 "[ . 1 . 2]" 1
112 1 14 VAL MG1 1 27 TRP HB3 . . 4.430 2.476 2.038 3.015 . 0 0 "[ . 1 . 2]" 1
113 1 14 VAL MG1 1 27 TRP HE3 . . 4.200 3.377 3.004 3.698 . 0 0 "[ . 1 . 2]" 1
114 1 14 VAL MG1 1 95 ILE MD . . 3.050 2.364 2.024 2.606 . 0 0 "[ . 1 . 2]" 1
115 1 14 VAL MG1 1 109 ILE MD . . 4.500 2.179 1.875 2.649 . 0 0 "[ . 1 . 2]" 1
116 1 14 VAL MG2 1 15 ARG H . . 4.410 4.095 3.913 4.207 . 0 0 "[ . 1 . 2]" 1
117 1 14 VAL MG2 1 27 TRP HA . . 4.110 3.203 2.664 3.663 . 0 0 "[ . 1 . 2]" 1
118 1 14 VAL MG2 1 27 TRP HB2 . . 3.740 2.238 1.913 2.601 . 0 0 "[ . 1 . 2]" 1
119 1 14 VAL MG2 1 27 TRP QB . . 3.240 1.970 1.754 2.275 . 0 0 "[ . 1 . 2]" 1
120 1 14 VAL MG2 1 27 TRP HB3 . . 3.740 2.197 1.998 2.512 . 0 0 "[ . 1 . 2]" 1
121 1 14 VAL MG2 1 27 TRP HE3 . . 4.310 4.130 3.879 4.320 0.010 18 0 "[ . 1 . 2]" 1
122 1 14 VAL MG2 1 28 GLU H . . 4.560 3.382 2.881 3.879 . 0 0 "[ . 1 . 2]" 1
123 1 14 VAL MG2 1 95 ILE HB . . 4.470 3.803 3.433 3.985 . 0 0 "[ . 1 . 2]" 1
124 1 14 VAL MG2 1 95 ILE MD . . 3.430 2.508 2.167 2.718 . 0 0 "[ . 1 . 2]" 1
125 1 14 VAL MG2 1 95 ILE MG . . 4.150 3.872 3.422 4.148 . 0 0 "[ . 1 . 2]" 1
126 1 14 VAL MG2 1 107 THR HB . . 4.190 3.861 3.277 4.200 0.010 19 0 "[ . 1 . 2]" 1
127 1 15 ARG H 1 15 ARG QB . . 3.520 2.561 2.281 3.120 . 0 0 "[ . 1 . 2]" 1
128 1 15 ARG H 1 15 ARG QG . . 3.900 2.872 2.014 3.573 . 0 0 "[ . 1 . 2]" 1
129 1 15 ARG H 1 26 SER H . . 4.040 3.885 3.640 4.044 0.004 16 0 "[ . 1 . 2]" 1
130 1 15 ARG H 1 27 TRP HA . . 4.150 2.981 2.537 3.373 . 0 0 "[ . 1 . 2]" 1
131 1 15 ARG HA 1 15 ARG QG . . 3.560 2.593 2.241 3.340 . 0 0 "[ . 1 . 2]" 1
132 1 15 ARG HA 1 16 ILE H . . 2.910 2.242 2.161 2.359 . 0 0 "[ . 1 . 2]" 1
133 1 15 ARG QB 1 15 ARG QD . . 3.160 2.221 2.037 2.681 . 0 0 "[ . 1 . 2]" 1
134 1 15 ARG QB 1 16 ILE H . . 3.520 2.848 2.496 3.171 . 0 0 "[ . 1 . 2]" 1
135 1 15 ARG QG 1 16 ILE H . . 4.460 3.959 3.491 4.461 0.001 2 0 "[ . 1 . 2]" 1
136 1 16 ILE H 1 16 ILE HB . . 3.350 2.720 2.624 2.797 . 0 0 "[ . 1 . 2]" 1
137 1 16 ILE H 1 16 ILE HG12 . . 4.390 3.975 3.529 4.174 . 0 0 "[ . 1 . 2]" 1
138 1 16 ILE H 1 16 ILE HG13 . . 4.040 2.846 2.642 3.066 . 0 0 "[ . 1 . 2]" 1
139 1 16 ILE H 1 16 ILE MG . . 4.060 3.879 3.833 3.910 . 0 0 "[ . 1 . 2]" 1
140 1 16 ILE H 1 109 ILE MD . . 5.360 4.478 3.794 5.103 . 0 0 "[ . 1 . 2]" 1
141 1 16 ILE HB 1 111 TRP HD1 . . 4.850 2.730 2.268 3.120 . 0 0 "[ . 1 . 2]" 1
142 1 16 ILE HB 1 111 TRP HE1 . . 4.550 3.022 2.702 3.503 . 0 0 "[ . 1 . 2]" 1
143 1 16 ILE MD 1 16 ILE MG . . 2.940 2.117 1.908 2.436 . 0 0 "[ . 1 . 2]" 1
144 1 16 ILE MD 1 17 SER H . . 5.300 5.124 4.845 5.282 . 0 0 "[ . 1 . 2]" 1
145 1 16 ILE MD 1 25 LEU HA . . 4.490 4.234 4.006 4.474 . 0 0 "[ . 1 . 2]" 1
146 1 16 ILE MD 1 25 LEU MD2 . . 4.080 4.012 3.799 4.087 0.007 10 0 "[ . 1 . 2]" 1
147 1 16 ILE MD 1 93 PHE QD . . 3.720 2.794 2.038 3.153 . 0 0 "[ . 1 . 2]" 1
148 1 16 ILE MD 1 93 PHE QE . . 4.030 3.140 2.387 3.649 . 0 0 "[ . 1 . 2]" 1
149 1 16 ILE MD 1 93 PHE HZ . . 4.970 4.676 4.071 4.979 0.009 16 0 "[ . 1 . 2]" 1
150 1 16 ILE MD 1 109 ILE HB . . 4.730 4.546 4.267 4.731 0.001 20 0 "[ . 1 . 2]" 1
151 1 16 ILE MD 1 109 ILE MD . . 3.460 2.397 1.996 2.934 . 0 0 "[ . 1 . 2]" 1
152 1 16 ILE MD 1 109 ILE MG . . 3.330 2.496 1.978 2.802 . 0 0 "[ . 1 . 2]" 1
153 1 16 ILE MD 1 111 TRP HA . . 4.370 3.547 3.181 3.858 . 0 0 "[ . 1 . 2]" 1
154 1 16 ILE MD 1 111 TRP HB2 . . 4.090 1.958 1.856 2.108 . 0 0 "[ . 1 . 2]" 1
155 1 16 ILE MD 1 111 TRP QB . . 3.400 1.940 1.843 2.081 . 0 0 "[ . 1 . 2]" 1
156 1 16 ILE MD 1 111 TRP HB3 . . 4.090 3.172 2.943 3.412 . 0 0 "[ . 1 . 2]" 1
157 1 16 ILE MD 1 111 TRP HD1 . . 4.140 2.761 2.144 3.226 . 0 0 "[ . 1 . 2]" 1
158 1 16 ILE MD 1 111 TRP HE1 . . 4.440 4.136 3.844 4.437 . 0 0 "[ . 1 . 2]" 1
159 1 16 ILE MD 1 111 TRP HE3 . . 4.500 4.256 3.961 4.512 0.012 18 0 "[ . 1 . 2]" 1
160 1 16 ILE HG12 1 17 SER H . . 4.630 4.448 4.228 4.597 . 0 0 "[ . 1 . 2]" 1
161 1 16 ILE HG12 1 23 ILE MG . . 4.610 4.188 3.808 4.610 . 0 0 "[ . 1 . 2]" 1
162 1 16 ILE HG13 1 16 ILE MG . . 3.670 3.185 3.153 3.199 . 0 0 "[ . 1 . 2]" 1
163 1 16 ILE HG13 1 109 ILE MD . . 4.550 2.975 2.383 3.773 . 0 0 "[ . 1 . 2]" 1
164 1 16 ILE MG 1 17 SER H . . 3.520 2.461 1.888 2.847 . 0 0 "[ . 1 . 2]" 1
165 1 16 ILE MG 1 23 ILE MD . . 4.020 3.768 3.227 4.033 0.013 11 0 "[ . 1 . 2]" 1
166 1 16 ILE MG 1 23 ILE MG . . 3.300 2.146 1.851 2.527 . 0 0 "[ . 1 . 2]" 1
167 1 16 ILE MG 1 24 HIS H . . 4.670 3.538 3.170 3.910 . 0 0 "[ . 1 . 2]" 1
168 1 16 ILE MG 1 111 TRP HD1 . . 4.610 3.373 3.068 3.693 . 0 0 "[ . 1 . 2]" 1
169 1 16 ILE MG 1 111 TRP HE1 . . 4.160 2.980 2.545 3.313 . 0 0 "[ . 1 . 2]" 1
170 1 16 ILE MG 1 111 TRP HE3 . . 4.560 3.944 3.801 4.084 . 0 0 "[ . 1 . 2]" 1
171 1 16 ILE MG 1 111 TRP HZ3 . . 4.610 4.556 4.384 4.618 0.008 19 0 "[ . 1 . 2]" 1
172 1 17 SER H 1 17 SER QB . . 3.600 2.570 2.344 2.869 . 0 0 "[ . 1 . 2]" 1
173 1 17 SER H 1 23 ILE MG . . 4.360 3.666 3.254 4.073 . 0 0 "[ . 1 . 2]" 1
174 1 17 SER H 1 24 HIS H . . 3.690 3.490 3.032 3.688 . 0 0 "[ . 1 . 2]" 1
175 1 17 SER H 1 24 HIS HB2 . . 4.830 4.721 4.534 4.840 0.010 13 0 "[ . 1 . 2]" 1
176 1 17 SER H 1 24 HIS QB . . 4.030 3.149 2.858 3.442 . 0 0 "[ . 1 . 2]" 1
177 1 17 SER H 1 24 HIS HB3 . . 4.830 3.200 2.888 3.531 . 0 0 "[ . 1 . 2]" 1
178 1 17 SER H 1 25 LEU HA . . 4.020 3.859 3.565 4.020 0.000 4 0 "[ . 1 . 2]" 1
179 1 17 SER QB 1 18 LYS H . . 3.780 3.205 2.195 3.790 0.010 12 0 "[ . 1 . 2]" 1
180 1 17 SER QB 1 24 HIS HB2 . . 4.430 4.028 3.725 4.433 0.003 12 0 "[ . 1 . 2]" 1
181 1 17 SER QB 1 24 HIS QB . . 3.770 2.704 2.332 3.297 . 0 0 "[ . 1 . 2]" 1
182 1 17 SER QB 1 24 HIS HB3 . . 4.430 2.751 2.355 3.401 . 0 0 "[ . 1 . 2]" 1
183 1 18 LYS H 1 18 LYS HB2 . . 3.940 2.535 2.288 3.513 . 0 0 "[ . 1 . 2]" 1
184 1 18 LYS H 1 18 LYS HB3 . . 3.940 2.593 2.217 2.837 . 0 0 "[ . 1 . 2]" 1
185 1 18 LYS H 1 18 LYS QG . . 4.530 3.982 3.503 4.087 . 0 0 "[ . 1 . 2]" 1
186 1 18 LYS HA 1 18 LYS QG . . 3.680 2.535 2.205 3.370 . 0 0 "[ . 1 . 2]" 1
187 1 18 LYS HA 1 19 ASN H . . 2.910 2.158 2.141 2.186 . 0 0 "[ . 1 . 2]" 1
188 1 18 LYS QB 1 18 LYS QE . . 4.270 2.784 2.030 3.770 . 0 0 "[ . 1 . 2]" 1
189 1 18 LYS QB 1 111 TRP HZ2 . . 4.560 2.731 1.989 3.904 . 0 0 "[ . 1 . 2]" 1
190 1 18 LYS HB2 1 19 ASN H . . 4.370 4.246 3.260 4.394 0.024 18 0 "[ . 1 . 2]" 1
191 1 18 LYS HB3 1 19 ASN H . . 4.370 4.116 3.898 4.343 . 0 0 "[ . 1 . 2]" 1
192 1 18 LYS QD 1 19 ASN H . . 4.800 4.060 3.127 4.783 . 0 0 "[ . 1 . 2]" 1
193 1 18 LYS QD 1 111 TRP HZ2 . . 4.480 3.359 2.707 4.478 . 0 0 "[ . 1 . 2]" 1
194 1 18 LYS QE 1 18 LYS QG . . 3.240 2.282 2.030 2.668 . 0 0 "[ . 1 . 2]" 1
195 1 18 LYS QE 1 111 TRP HZ2 . . 4.600 4.034 2.878 4.599 . 0 0 "[ . 1 . 2]" 1
196 1 18 LYS QG 1 19 ASN H . . 3.600 2.748 2.389 3.511 . 0 0 "[ . 1 . 2]" 1
197 1 18 LYS QG 1 22 GLY H . . 4.950 4.793 4.314 4.971 0.021 12 0 "[ . 1 . 2]" 1
198 1 18 LYS QG 1 111 TRP HZ2 . . 4.750 4.377 3.692 4.760 0.010 18 0 "[ . 1 . 2]" 1
199 1 19 ASN H 1 19 ASN QB . . 3.560 2.417 2.337 2.465 . 0 0 "[ . 1 . 2]" 1
200 1 19 ASN H 1 22 GLY H . . 4.040 3.685 3.325 4.048 0.008 16 0 "[ . 1 . 2]" 1
201 1 19 ASN H 1 22 GLY QA . . 4.940 4.185 4.012 4.329 . 0 0 "[ . 1 . 2]" 1
202 1 19 ASN H 1 23 ILE HG12 . . 4.720 4.245 3.677 4.566 . 0 0 "[ . 1 . 2]" 1
203 1 19 ASN H 1 23 ILE HG13 . . 4.760 4.489 3.891 4.760 . 0 0 "[ . 1 . 2]" 1
204 1 19 ASN H 1 23 ILE MG . . 4.260 4.064 3.717 4.278 0.018 17 0 "[ . 1 . 2]" 1
205 1 19 ASN QB 1 20 VAL QG . . 4.680 4.059 2.881 4.623 . 0 0 "[ . 1 . 2]" 1
206 1 19 ASN QB 1 22 GLY H . . 4.380 2.455 1.931 3.944 . 0 0 "[ . 1 . 2]" 1
207 1 19 ASN HB2 1 72 THR MG . . 5.500 3.980 3.140 4.716 . 0 0 "[ . 1 . 2]" 1
208 1 19 ASN HB3 1 72 THR MG . . 5.500 3.713 3.003 5.132 . 0 0 "[ . 1 . 2]" 1
209 1 19 ASN QD 1 20 VAL QG . . 4.710 3.831 2.031 4.672 . 0 0 "[ . 1 . 2]" 1
210 1 19 ASN QD 1 72 THR MG . . 4.550 3.318 2.208 4.504 . 0 0 "[ . 1 . 2]" 1
211 1 20 VAL HB 1 21 ASP H . . 4.040 3.302 2.602 4.049 0.009 4 0 "[ . 1 . 2]" 1
212 1 20 VAL QG 1 21 ASP H . . 3.650 2.743 1.864 3.574 . 0 0 "[ . 1 . 2]" 1
213 1 20 VAL QG 1 21 ASP QB . . 4.040 3.602 2.837 4.040 . 5 0 "[ . 1 . 2]" 1
214 1 20 VAL QG 1 22 GLY H . . 5.190 4.205 3.743 4.539 . 0 0 "[ . 1 . 2]" 1
215 1 21 ASP H 1 21 ASP QB . . 3.770 2.313 2.174 2.553 . 0 0 "[ . 1 . 2]" 1
216 1 21 ASP H 1 22 GLY H . . 3.130 2.398 2.073 2.914 . 0 0 "[ . 1 . 2]" 1
217 1 21 ASP QB 1 22 GLY H . . 3.990 3.184 2.827 3.775 . 0 0 "[ . 1 . 2]" 1
218 1 21 ASP QB 1 72 THR MG . . 3.930 3.319 1.904 3.906 . 0 0 "[ . 1 . 2]" 1
219 1 22 GLY H 1 23 ILE H . . 4.450 4.003 3.562 4.384 . 0 0 "[ . 1 . 2]" 1
220 1 22 GLY H 1 72 THR MG . . 5.500 4.394 3.749 5.164 . 0 0 "[ . 1 . 2]" 1
221 1 22 GLY QA 1 23 ILE H . . 3.090 2.135 2.109 2.264 . 0 0 "[ . 1 . 2]" 1
222 1 22 GLY QA 1 72 THR MG . . 4.400 3.679 3.010 4.312 . 0 0 "[ . 1 . 2]" 1
223 1 22 GLY HA2 1 78 LEU MD1 . . 4.600 3.920 3.437 4.258 . 0 0 "[ . 1 . 2]" 1
224 1 22 GLY HA3 1 78 LEU MD1 . . 4.600 4.040 3.668 4.605 0.005 17 0 "[ . 1 . 2]" 1
225 1 23 ILE H 1 23 ILE HB . . 3.550 2.677 2.524 2.832 . 0 0 "[ . 1 . 2]" 1
226 1 23 ILE H 1 23 ILE MD . . 4.370 3.852 3.518 4.052 . 0 0 "[ . 1 . 2]" 1
227 1 23 ILE H 1 23 ILE HG12 . . 4.250 4.052 3.594 4.237 . 0 0 "[ . 1 . 2]" 1
228 1 23 ILE H 1 23 ILE HG13 . . 3.540 2.789 2.240 3.007 . 0 0 "[ . 1 . 2]" 1
229 1 23 ILE H 1 23 ILE MG . . 4.010 3.862 3.780 3.933 . 0 0 "[ . 1 . 2]" 1
230 1 23 ILE H 1 72 THR MG . . 4.060 3.211 2.820 3.885 . 0 0 "[ . 1 . 2]" 1
231 1 23 ILE H 1 73 VAL H . . 3.750 3.099 2.541 3.601 . 0 0 "[ . 1 . 2]" 1
232 1 23 ILE H 1 73 VAL HB . . 4.040 3.537 3.027 4.042 0.002 20 0 "[ . 1 . 2]" 1
233 1 23 ILE H 1 73 VAL MG2 . . 5.120 4.705 4.210 5.072 . 0 0 "[ . 1 . 2]" 1
234 1 23 ILE H 1 78 LEU MD1 . . 4.490 3.886 3.469 4.473 . 0 0 "[ . 1 . 2]" 1
235 1 23 ILE HA 1 23 ILE HG12 . . 4.160 2.663 2.532 2.818 . 0 0 "[ . 1 . 2]" 1
236 1 23 ILE HA 1 23 ILE MG . . 3.440 2.329 2.183 2.436 . 0 0 "[ . 1 . 2]" 1
237 1 23 ILE HA 1 24 HIS H . . 3.050 2.212 2.171 2.302 . 0 0 "[ . 1 . 2]" 1
238 1 23 ILE HA 1 24 HIS HB2 . . 5.190 4.298 4.129 4.514 . 0 0 "[ . 1 . 2]" 1
239 1 23 ILE HA 1 24 HIS QB . . 4.480 3.991 3.932 4.032 . 0 0 "[ . 1 . 2]" 1
240 1 23 ILE HA 1 24 HIS HB3 . . 5.190 4.770 4.502 4.958 . 0 0 "[ . 1 . 2]" 1
241 1 23 ILE HB 1 23 ILE MD . . 3.560 2.325 2.216 2.393 . 0 0 "[ . 1 . 2]" 1
242 1 23 ILE HB 1 24 HIS H . . 4.160 3.967 3.791 4.088 . 0 0 "[ . 1 . 2]" 1
243 1 23 ILE HB 1 73 VAL HB . . 3.800 2.397 2.048 2.560 . 0 0 "[ . 1 . 2]" 1
244 1 23 ILE HB 1 73 VAL MG1 . . 4.110 3.761 3.468 3.937 . 0 0 "[ . 1 . 2]" 1
245 1 23 ILE HB 1 73 VAL MG2 . . 3.930 3.482 3.061 3.732 . 0 0 "[ . 1 . 2]" 1
246 1 23 ILE MD 1 23 ILE MG . . 2.890 2.118 1.941 2.299 . 0 0 "[ . 1 . 2]" 1
247 1 23 ILE MD 1 24 HIS H . . 5.480 4.973 4.781 5.095 . 0 0 "[ . 1 . 2]" 1
248 1 23 ILE MD 1 73 VAL H . . 5.500 4.893 4.379 5.455 . 0 0 "[ . 1 . 2]" 1
249 1 23 ILE MD 1 73 VAL HB . . 3.960 3.178 2.698 3.516 . 0 0 "[ . 1 . 2]" 1
250 1 23 ILE MD 1 73 VAL MG1 . . 4.360 3.216 2.814 3.609 . 0 0 "[ . 1 . 2]" 1
251 1 23 ILE MD 1 73 VAL MG2 . . 4.210 3.983 3.594 4.211 0.001 9 0 "[ . 1 . 2]" 1
252 1 23 ILE MD 1 78 LEU MD1 . . 3.790 1.851 1.716 2.085 . 0 0 "[ . 1 . 2]" 1
253 1 23 ILE MD 1 78 LEU MD2 . . 3.670 1.929 1.799 2.164 . 0 0 "[ . 1 . 2]" 1
254 1 23 ILE MD 1 91 ILE MD . . 3.590 2.665 2.312 3.344 . 0 0 "[ . 1 . 2]" 1
255 1 23 ILE MD 1 93 PHE QE . . 3.960 3.597 3.128 3.973 0.013 16 0 "[ . 1 . 2]" 1
256 1 23 ILE MD 1 93 PHE HZ . . 3.830 3.053 2.653 3.469 . 0 0 "[ . 1 . 2]" 1
257 1 23 ILE MD 1 111 TRP HE3 . . 4.430 3.041 2.747 3.268 . 0 0 "[ . 1 . 2]" 1
258 1 23 ILE HG12 1 23 ILE MG . . 3.500 2.262 2.147 2.384 . 0 0 "[ . 1 . 2]" 1
259 1 23 ILE HG12 1 24 HIS H . . 4.560 4.311 4.098 4.549 . 0 0 "[ . 1 . 2]" 1
260 1 23 ILE HG13 1 23 ILE MG . . 3.260 3.180 3.160 3.202 . 0 0 "[ . 1 . 2]" 1
261 1 23 ILE MG 1 24 HIS H . . 3.690 2.089 1.884 2.300 . 0 0 "[ . 1 . 2]" 1
262 1 23 ILE MG 1 24 HIS HA . . 4.530 3.726 3.491 3.983 . 0 0 "[ . 1 . 2]" 1
263 1 23 ILE MG 1 25 LEU H . . 4.530 3.596 3.180 4.024 . 0 0 "[ . 1 . 2]" 1
264 1 23 ILE MG 1 73 VAL MG1 . . 5.050 4.526 4.223 4.742 . 0 0 "[ . 1 . 2]" 1
265 1 23 ILE MG 1 73 VAL MG2 . . 3.850 3.643 3.236 3.853 0.003 16 0 "[ . 1 . 2]" 1
266 1 23 ILE MG 1 78 LEU MD1 . . 4.380 4.313 4.079 4.386 0.006 11 0 "[ . 1 . 2]" 1
267 1 23 ILE MG 1 78 LEU MD2 . . 4.380 4.122 3.897 4.379 . 0 0 "[ . 1 . 2]" 1
268 1 23 ILE MG 1 93 PHE HZ . . 4.200 3.673 3.233 4.198 . 0 0 "[ . 1 . 2]" 1
269 1 24 HIS H 1 24 HIS HB2 . . 3.650 2.814 2.559 3.048 . 0 0 "[ . 1 . 2]" 1
270 1 24 HIS H 1 24 HIS HB3 . . 3.650 2.732 2.514 2.964 . 0 0 "[ . 1 . 2]" 1
271 1 24 HIS H 1 25 LEU H . . 4.830 4.087 3.964 4.284 . 0 0 "[ . 1 . 2]" 1
272 1 24 HIS HA 1 25 LEU H . . 2.900 2.185 2.143 2.206 . 0 0 "[ . 1 . 2]" 1
273 1 24 HIS HA 1 71 CYS H . . 5.500 4.945 4.579 5.345 . 0 0 "[ . 1 . 2]" 1
274 1 24 HIS QB 1 25 LEU H . . 4.000 3.945 3.858 3.990 . 0 0 "[ . 1 . 2]" 1
275 1 24 HIS HB2 1 25 LEU H . . 4.650 4.541 4.325 4.615 . 0 0 "[ . 1 . 2]" 1
276 1 24 HIS HB3 1 25 LEU H . . 4.650 4.338 4.176 4.475 . 0 0 "[ . 1 . 2]" 1
277 1 25 LEU H 1 25 LEU HB2 . . 3.660 2.360 2.300 2.536 . 0 0 "[ . 1 . 2]" 1
278 1 25 LEU H 1 25 LEU HB3 . . 3.690 2.824 2.756 2.865 . 0 0 "[ . 1 . 2]" 1
279 1 25 LEU H 1 25 LEU MD1 . . 4.410 3.863 3.744 4.053 . 0 0 "[ . 1 . 2]" 1
280 1 25 LEU H 1 25 LEU MD2 . . 4.580 4.364 4.306 4.448 . 0 0 "[ . 1 . 2]" 1
281 1 25 LEU H 1 25 LEU HG . . 4.750 4.518 4.494 4.571 . 0 0 "[ . 1 . 2]" 1
282 1 25 LEU H 1 72 THR MG . . 4.740 4.558 4.268 4.741 0.001 7 0 "[ . 1 . 2]" 1
283 1 25 LEU H 1 73 VAL H . . 5.190 3.982 3.606 4.286 . 0 0 "[ . 1 . 2]" 1
284 1 25 LEU H 1 73 VAL MG2 . . 4.590 3.926 3.444 4.473 . 0 0 "[ . 1 . 2]" 1
285 1 25 LEU HA 1 25 LEU MD1 . . 3.740 2.508 2.401 2.710 . 0 0 "[ . 1 . 2]" 1
286 1 25 LEU HA 1 25 LEU MD2 . . 3.830 3.788 3.758 3.816 . 0 0 "[ . 1 . 2]" 1
287 1 25 LEU HA 1 26 SER H . . 3.000 2.170 2.138 2.283 . 0 0 "[ . 1 . 2]" 1
288 1 25 LEU HA 1 71 CYS H . . 5.500 4.748 4.233 5.006 . 0 0 "[ . 1 . 2]" 1
289 1 25 LEU HB2 1 25 LEU MD1 . . 3.570 2.141 1.983 2.214 . 0 0 "[ . 1 . 2]" 1
290 1 25 LEU HB2 1 25 LEU MD2 . . 3.480 2.639 2.580 2.706 . 0 0 "[ . 1 . 2]" 1
291 1 25 LEU HB2 1 26 SER H . . 4.610 4.375 4.143 4.490 . 0 0 "[ . 1 . 2]" 1
292 1 25 LEU HB2 1 27 TRP HE3 . . 5.270 5.212 5.120 5.298 0.028 10 0 "[ . 1 . 2]" 1
293 1 25 LEU HB2 1 27 TRP HZ3 . . 4.420 4.268 4.000 4.423 0.003 19 0 "[ . 1 . 2]" 1
294 1 25 LEU HB2 1 71 CYS H . . 4.490 4.347 3.660 4.498 0.008 13 0 "[ . 1 . 2]" 1
295 1 25 LEU HB3 1 25 LEU MD2 . . 3.430 2.138 1.970 2.192 . 0 0 "[ . 1 . 2]" 1
296 1 25 LEU HB3 1 26 SER H . . 4.110 3.872 3.497 4.107 . 0 0 "[ . 1 . 2]" 1
297 1 25 LEU HB3 1 27 TRP HE3 . . 4.340 3.786 3.611 3.928 . 0 0 "[ . 1 . 2]" 1
298 1 25 LEU HB3 1 27 TRP HZ3 . . 4.010 2.594 2.256 2.818 . 0 0 "[ . 1 . 2]" 1
299 1 25 LEU HB3 1 71 CYS H . . 4.520 2.993 2.405 3.299 . 0 0 "[ . 1 . 2]" 1
300 1 25 LEU HB3 1 71 CYS HG . . 4.430 2.880 1.989 4.352 . 0 0 "[ . 1 . 2]" 1
301 1 25 LEU MD1 1 26 SER H . . 4.160 3.780 3.548 4.019 . 0 0 "[ . 1 . 2]" 1
302 1 25 LEU MD1 1 27 TRP HZ3 . . 4.820 4.605 4.334 4.822 0.002 16 0 "[ . 1 . 2]" 1
303 1 25 LEU MD1 1 73 VAL MG2 . . 3.670 3.443 3.107 3.677 0.007 10 0 "[ . 1 . 2]" 1
304 1 25 LEU MD1 1 93 PHE HB2 . . 4.470 3.517 3.188 3.937 . 0 0 "[ . 1 . 2]" 1
305 1 25 LEU MD1 1 93 PHE HB3 . . 4.480 3.381 2.974 3.879 . 0 0 "[ . 1 . 2]" 1
306 1 25 LEU MD1 1 93 PHE QD . . 3.970 2.969 2.501 3.372 . 0 0 "[ . 1 . 2]" 1
307 1 25 LEU MD2 1 26 SER H . . 4.480 4.130 3.578 4.448 . 0 0 "[ . 1 . 2]" 1
308 1 25 LEU MD2 1 27 TRP HE3 . . 4.340 2.618 2.388 2.888 . 0 0 "[ . 1 . 2]" 1
309 1 25 LEU MD2 1 42 ALA MB . . 3.740 2.925 2.475 3.273 . 0 0 "[ . 1 . 2]" 1
310 1 25 LEU MD2 1 63 ILE MD . . 4.220 3.735 3.199 4.227 0.007 19 0 "[ . 1 . 2]" 1
311 1 25 LEU MD2 1 93 PHE HB2 . . 4.420 4.021 3.646 4.433 0.013 11 0 "[ . 1 . 2]" 1
312 1 25 LEU MD2 1 93 PHE HB3 . . 4.140 3.058 2.575 3.478 . 0 0 "[ . 1 . 2]" 1
313 1 25 LEU MD2 1 93 PHE QD . . 3.770 3.289 2.670 3.689 . 0 0 "[ . 1 . 2]" 1
314 1 25 LEU MD2 1 93 PHE QE . . 4.550 3.972 3.279 4.290 . 0 0 "[ . 1 . 2]" 1
315 1 25 LEU MD2 1 95 ILE MD . . 3.300 1.991 1.812 2.271 . 0 0 "[ . 1 . 2]" 1
316 1 25 LEU MD2 1 95 ILE MG . . 4.750 3.998 3.647 4.317 . 0 0 "[ . 1 . 2]" 1
317 1 25 LEU MD2 1 109 ILE MG . . 4.000 3.979 3.851 4.013 0.013 10 0 "[ . 1 . 2]" 1
318 1 25 LEU HG 1 26 SER H . . 4.500 2.762 2.175 3.108 . 0 0 "[ . 1 . 2]" 1
319 1 25 LEU HG 1 27 TRP HE3 . . 4.060 3.164 2.908 3.414 . 0 0 "[ . 1 . 2]" 1
320 1 25 LEU HG 1 27 TRP HZ3 . . 4.180 3.737 3.410 4.143 . 0 0 "[ . 1 . 2]" 1
321 1 25 LEU HG 1 95 ILE MD . . 4.320 3.278 2.758 3.578 . 0 0 "[ . 1 . 2]" 1
322 1 26 SER H 1 26 SER QB . . 3.680 2.856 2.581 3.121 . 0 0 "[ . 1 . 2]" 1
323 1 26 SER H 1 70 SER HA . . 4.930 4.682 4.279 4.881 . 0 0 "[ . 1 . 2]" 1
324 1 26 SER HA 1 27 TRP H . . 3.050 2.316 2.181 2.398 . 0 0 "[ . 1 . 2]" 1
325 1 26 SER HA 1 27 TRP HE3 . . 4.430 3.130 2.812 3.549 . 0 0 "[ . 1 . 2]" 1
326 1 26 SER HA 1 70 SER HA . . 3.490 2.212 2.061 2.437 . 0 0 "[ . 1 . 2]" 1
327 1 26 SER HA 1 70 SER HB2 . . 4.170 3.561 2.796 4.177 0.007 15 0 "[ . 1 . 2]" 1
328 1 26 SER HA 1 70 SER QB . . 3.660 3.037 2.461 3.621 . 0 0 "[ . 1 . 2]" 1
329 1 26 SER HA 1 70 SER HB3 . . 4.170 3.440 2.719 4.173 0.003 16 0 "[ . 1 . 2]" 1
330 1 26 SER HA 1 71 CYS H . . 4.020 3.571 3.176 3.796 . 0 0 "[ . 1 . 2]" 1
331 1 26 SER QB 1 27 TRP H . . 3.250 2.883 2.482 3.278 0.028 11 0 "[ . 1 . 2]" 1
332 1 26 SER QB 1 70 SER HA . . 4.170 3.789 3.408 4.033 . 0 0 "[ . 1 . 2]" 1
333 1 26 SER QB 1 70 SER QB . . 3.750 3.107 2.452 3.701 . 0 0 "[ . 1 . 2]" 1
334 1 26 SER HB2 1 27 TRP H . . 4.040 3.440 2.515 4.051 0.011 17 0 "[ . 1 . 2]" 1
335 1 26 SER HB2 1 70 SER HA . . 4.990 4.374 3.868 4.994 0.004 7 0 "[ . 1 . 2]" 1
336 1 26 SER HB3 1 27 TRP H . . 4.040 3.454 2.625 4.042 0.002 15 0 "[ . 1 . 2]" 1
337 1 26 SER HB3 1 70 SER HA . . 4.990 4.342 3.707 5.006 0.016 10 0 "[ . 1 . 2]" 1
338 1 27 TRP H 1 27 TRP QB . . 3.660 3.244 3.126 3.301 . 0 0 "[ . 1 . 2]" 1
339 1 27 TRP H 1 27 TRP HE3 . . 4.000 3.531 2.979 3.812 . 0 0 "[ . 1 . 2]" 1
340 1 27 TRP H 1 69 THR HB . . 4.170 3.228 2.996 3.361 . 0 0 "[ . 1 . 2]" 1
341 1 27 TRP H 1 69 THR MG . . 4.830 4.709 4.512 4.836 0.006 14 0 "[ . 1 . 2]" 1
342 1 27 TRP H 1 70 SER HA . . 3.900 3.675 3.406 3.862 . 0 0 "[ . 1 . 2]" 1
343 1 27 TRP HA 1 27 TRP HD1 . . 4.780 4.373 4.237 4.476 . 0 0 "[ . 1 . 2]" 1
344 1 27 TRP HA 1 27 TRP HE3 . . 5.100 4.336 4.189 4.516 . 0 0 "[ . 1 . 2]" 1
345 1 27 TRP HA 1 28 GLU H . . 3.450 2.526 2.403 2.639 . 0 0 "[ . 1 . 2]" 1
346 1 27 TRP QB 1 28 GLU H . . 3.250 2.199 1.982 2.426 . 0 0 "[ . 1 . 2]" 1
347 1 27 TRP QB 1 95 ILE MD . . 4.320 2.682 2.100 3.054 . 0 0 "[ . 1 . 2]" 1
348 1 27 TRP QB 1 95 ILE MG . . 4.060 3.563 2.893 4.049 . 0 0 "[ . 1 . 2]" 1
349 1 27 TRP HB2 1 27 TRP HE3 . . 4.180 4.085 4.028 4.137 . 0 0 "[ . 1 . 2]" 1
350 1 27 TRP HB2 1 28 GLU H . . 3.850 2.217 1.993 2.455 . 0 0 "[ . 1 . 2]" 1
351 1 27 TRP HB2 1 95 ILE MG . . 4.890 4.030 3.257 4.585 . 0 0 "[ . 1 . 2]" 1
352 1 27 TRP HB3 1 27 TRP HE3 . . 4.180 2.536 2.472 2.612 . 0 0 "[ . 1 . 2]" 1
353 1 27 TRP HB3 1 28 GLU H . . 3.850 3.665 3.510 3.796 . 0 0 "[ . 1 . 2]" 1
354 1 27 TRP HB3 1 95 ILE MG . . 4.890 3.976 3.239 4.507 . 0 0 "[ . 1 . 2]" 1
355 1 27 TRP HD1 1 28 GLU H . . 4.460 3.170 2.806 3.540 . 0 0 "[ . 1 . 2]" 1
356 1 27 TRP HD1 1 29 PRO HD2 . . 5.500 5.339 5.059 5.503 0.003 14 0 "[ . 1 . 2]" 1
357 1 27 TRP HD1 1 69 THR HA . . 4.830 4.201 3.699 4.705 . 0 0 "[ . 1 . 2]" 1
358 1 27 TRP HD1 1 69 THR HB . . 4.630 3.586 2.924 4.160 . 0 0 "[ . 1 . 2]" 1
359 1 27 TRP HD1 1 69 THR MG . . 4.150 3.416 2.868 4.114 . 0 0 "[ . 1 . 2]" 1
360 1 27 TRP HE1 1 69 THR HA . . 3.500 2.718 2.114 3.425 . 0 0 "[ . 1 . 2]" 1
361 1 27 TRP HE1 1 69 THR HB . . 4.400 3.766 3.078 4.407 0.007 17 0 "[ . 1 . 2]" 1
362 1 27 TRP HE1 1 69 THR MG . . 3.600 2.784 2.179 3.522 . 0 0 "[ . 1 . 2]" 1
363 1 27 TRP HE3 1 71 CYS H . . 4.770 4.594 4.317 4.774 0.004 16 0 "[ . 1 . 2]" 1
364 1 27 TRP HE3 1 95 ILE MD . . 3.760 2.519 2.118 2.950 . 0 0 "[ . 1 . 2]" 1
365 1 27 TRP HE3 1 95 ILE MG . . 4.530 4.034 3.617 4.424 . 0 0 "[ . 1 . 2]" 1
366 1 27 TRP HH2 1 64 TYR QE . . 4.110 3.423 2.278 4.028 . 0 0 "[ . 1 . 2]" 1
367 1 27 TRP HH2 1 69 THR HA . . 5.260 4.487 3.762 4.943 . 0 0 "[ . 1 . 2]" 1
368 1 27 TRP HH2 1 71 CYS QB . . 4.710 3.003 2.099 4.046 . 0 0 "[ . 1 . 2]" 1
369 1 27 TRP HZ2 1 40 TYR HB2 . . 4.060 3.278 2.834 3.916 . 0 0 "[ . 1 . 2]" 1
370 1 27 TRP HZ2 1 40 TYR HB3 . . 3.950 2.997 2.345 3.514 . 0 0 "[ . 1 . 2]" 1
371 1 27 TRP HZ2 1 41 SER H . . 5.030 4.656 3.896 5.042 0.012 19 0 "[ . 1 . 2]" 1
372 1 27 TRP HZ2 1 69 THR HA . . 3.930 2.950 2.292 3.506 . 0 0 "[ . 1 . 2]" 1
373 1 27 TRP HZ2 1 69 THR MG . . 4.760 4.317 3.663 4.761 0.001 17 0 "[ . 1 . 2]" 1
374 1 27 TRP HZ2 1 95 ILE MG . . 4.800 3.629 3.016 4.146 . 0 0 "[ . 1 . 2]" 1
375 1 27 TRP HZ3 1 70 SER HA . . 4.210 3.487 2.870 4.239 0.029 19 0 "[ . 1 . 2]" 1
376 1 27 TRP HZ3 1 71 CYS H . . 4.110 3.199 2.877 3.664 . 0 0 "[ . 1 . 2]" 1
377 1 27 TRP HZ3 1 71 CYS QB . . 5.020 3.568 1.984 4.386 . 0 0 "[ . 1 . 2]" 1
378 1 27 TRP HZ3 1 71 CYS HG . . 4.480 3.577 2.008 4.481 0.001 1 0 "[ . 1 . 2]" 1
379 1 28 GLU H 1 28 GLU HB2 . . 3.790 2.568 2.426 2.803 . 0 0 "[ . 1 . 2]" 1
380 1 28 GLU H 1 28 GLU HB3 . . 4.050 3.728 3.648 3.858 . 0 0 "[ . 1 . 2]" 1
381 1 28 GLU H 1 28 GLU HG2 . . 4.550 3.217 2.743 4.061 . 0 0 "[ . 1 . 2]" 1
382 1 28 GLU H 1 28 GLU QG . . 3.970 2.994 2.682 3.328 . 0 0 "[ . 1 . 2]" 1
383 1 28 GLU H 1 28 GLU HG3 . . 4.550 4.006 2.917 4.549 . 0 0 "[ . 1 . 2]" 1
384 1 28 GLU HA 1 28 GLU HG2 . . 4.140 2.864 2.311 3.242 . 0 0 "[ . 1 . 2]" 1
385 1 28 GLU HA 1 28 GLU QG . . 3.610 2.754 2.258 3.036 . 0 0 "[ . 1 . 2]" 1
386 1 28 GLU HA 1 28 GLU HG3 . . 4.140 3.621 3.172 3.794 . 0 0 "[ . 1 . 2]" 1
387 1 28 GLU HA 1 29 PRO HD2 . . 3.370 2.383 2.312 2.434 . 0 0 "[ . 1 . 2]" 1
388 1 28 GLU HA 1 29 PRO HD3 . . 3.280 2.292 2.270 2.311 . 0 0 "[ . 1 . 2]" 1
389 1 28 GLU HA 1 29 PRO HG2 . . 4.670 4.498 4.441 4.540 . 0 0 "[ . 1 . 2]" 1
390 1 28 GLU HA 1 29 PRO HG3 . . 4.660 4.461 4.421 4.491 . 0 0 "[ . 1 . 2]" 1
391 1 28 GLU HB2 1 29 PRO HD2 . . 4.230 3.648 3.586 3.735 . 0 0 "[ . 1 . 2]" 1
392 1 28 GLU HB2 1 29 PRO HD3 . . 4.740 4.714 4.674 4.766 0.026 19 0 "[ . 1 . 2]" 1
393 1 28 GLU HB3 1 29 PRO HD2 . . 3.230 2.067 1.991 2.183 . 0 0 "[ . 1 . 2]" 1
394 1 28 GLU HB3 1 29 PRO HD3 . . 3.640 3.508 3.442 3.608 . 0 0 "[ . 1 . 2]" 1
395 1 28 GLU QG 1 29 PRO HD2 . . 3.930 3.624 3.029 3.931 0.001 12 0 "[ . 1 . 2]" 1
396 1 28 GLU QG 1 29 PRO HD3 . . 4.800 4.467 3.713 4.782 . 0 0 "[ . 1 . 2]" 1
397 1 28 GLU HG2 1 29 PRO HD2 . . 4.550 4.144 3.092 4.545 . 0 0 "[ . 1 . 2]" 1
398 1 28 GLU HG3 1 29 PRO HD2 . . 4.550 4.149 3.674 4.544 . 0 0 "[ . 1 . 2]" 1
399 1 29 PRO HA 1 30 PRO QD . . 3.110 2.083 1.968 2.197 . 0 0 "[ . 1 . 2]" 1
400 1 29 PRO HB2 1 30 PRO QD . . 3.830 2.406 1.987 2.889 . 0 0 "[ . 1 . 2]" 1
401 1 29 PRO HB3 1 30 PRO QD . . 3.830 2.844 2.630 3.122 . 0 0 "[ . 1 . 2]" 1
402 1 29 PRO HD2 1 69 THR MG . . 4.620 3.856 3.526 4.164 . 0 0 "[ . 1 . 2]" 1
403 1 29 PRO HD3 1 69 THR MG . . 4.360 2.301 1.967 2.638 . 0 0 "[ . 1 . 2]" 1
404 1 29 PRO HG2 1 69 THR MG . . 4.830 4.665 4.250 4.836 0.006 15 0 "[ . 1 . 2]" 1
405 1 29 PRO HG3 1 69 THR MG . . 3.920 3.576 3.095 3.791 . 0 0 "[ . 1 . 2]" 1
406 1 30 PRO HA 1 31 THR H . . 3.470 2.315 2.151 3.570 0.100 9 0 "[ . 1 . 2]" 1
407 1 30 PRO QB 1 31 THR H . . 4.060 3.114 1.859 3.782 . 0 0 "[ . 1 . 2]" 1
408 1 30 PRO QB 1 31 THR HA . . 5.340 4.516 4.107 5.009 . 0 0 "[ . 1 . 2]" 1
409 1 30 PRO QB 1 31 THR MG . . 4.570 4.150 3.280 4.697 0.127 14 0 "[ . 1 . 2]" 1
410 1 30 PRO QD 1 37 ILE MD . . 4.050 3.518 2.654 4.058 0.008 19 0 "[ . 1 . 2]" 1
411 1 30 PRO QD 1 97 ALA MB . . 4.040 3.547 2.832 4.038 . 0 0 "[ . 1 . 2]" 1
412 1 30 PRO QG 1 34 SER QB . . 4.640 3.770 2.281 4.495 . 0 0 "[ . 1 . 2]" 1
413 1 30 PRO QG 1 37 ILE MD . . 3.760 2.785 2.313 3.521 . 0 0 "[ . 1 . 2]" 1
414 1 30 PRO QG 1 97 ALA MB . . 3.680 3.293 2.459 3.682 0.002 3 0 "[ . 1 . 2]" 1
415 1 30 PRO HG2 1 37 ILE MD . . 4.340 3.123 2.449 3.836 . 0 0 "[ . 1 . 2]" 1
416 1 30 PRO HG3 1 37 ILE MD . . 4.340 3.197 2.445 4.200 . 0 0 "[ . 1 . 2]" 1
417 1 31 THR H 1 31 THR MG . . 3.990 2.179 1.877 3.574 . 0 0 "[ . 1 . 2]" 1
418 1 31 THR H 1 32 SER H . . 4.580 3.002 1.947 4.583 0.003 14 0 "[ . 1 . 2]" 1
419 1 31 THR HA 1 31 THR MG . . 3.410 3.098 2.207 3.207 . 0 0 "[ . 1 . 2]" 1
420 1 31 THR MG 1 32 SER QB . . 4.660 3.768 2.753 4.690 0.030 18 0 "[ . 1 . 2]" 1
421 1 32 SER H 1 33 PRO QD . . 4.700 3.879 1.879 4.377 . 0 0 "[ . 1 . 2]" 1
422 1 32 SER HA 1 33 PRO HD2 . . 3.960 2.617 2.175 3.770 . 0 0 "[ . 1 . 2]" 1
423 1 32 SER HA 1 33 PRO QD . . 3.430 2.334 1.969 3.468 0.038 8 0 "[ . 1 . 2]" 1
424 1 32 SER HA 1 33 PRO HD3 . . 3.960 2.635 2.250 4.053 0.093 12 0 "[ . 1 . 2]" 1
425 1 34 SER QB 1 97 ALA MB . . 5.180 4.971 4.515 5.189 0.009 13 0 "[ . 1 . 2]" 1
426 1 34 SER HB2 1 37 ILE MD . . 4.390 3.274 2.008 4.401 0.011 10 0 "[ . 1 . 2]" 1
427 1 34 SER HB3 1 37 ILE MD . . 4.390 3.161 2.054 4.399 0.009 20 0 "[ . 1 . 2]" 1
428 1 36 ASN QB 1 37 ILE H . . 3.760 3.365 2.187 3.773 0.013 20 0 "[ . 1 . 2]" 1
429 1 36 ASN QB 1 38 LEU H . . 4.640 4.426 4.094 4.640 . 0 0 "[ . 1 . 2]" 1
430 1 36 ASN QB 1 38 LEU MD2 . . 4.040 3.689 2.881 4.047 0.007 10 0 "[ . 1 . 2]" 1
431 1 36 ASN HB2 1 37 ILE H . . 4.540 4.138 2.214 4.521 . 0 0 "[ . 1 . 2]" 1
432 1 36 ASN HB3 1 37 ILE H . . 4.540 3.678 2.399 4.390 . 0 0 "[ . 1 . 2]" 1
433 1 37 ILE H 1 37 ILE HB . . 3.270 2.573 2.366 2.822 . 0 0 "[ . 1 . 2]" 1
434 1 37 ILE H 1 37 ILE MD . . 4.200 3.541 1.980 3.936 . 0 0 "[ . 1 . 2]" 1
435 1 37 ILE H 1 37 ILE QG . . 3.430 2.579 2.096 3.162 . 0 0 "[ . 1 . 2]" 1
436 1 37 ILE H 1 37 ILE MG . . 4.350 3.801 3.703 3.929 . 0 0 "[ . 1 . 2]" 1
437 1 37 ILE HA 1 37 ILE MD . . 3.820 2.436 1.974 3.862 0.042 10 0 "[ . 1 . 2]" 1
438 1 37 ILE HA 1 38 LEU HG . . 4.620 4.013 3.812 4.375 . 0 0 "[ . 1 . 2]" 1
439 1 37 ILE HA 1 99 ASN HA . . 4.440 3.560 2.322 4.442 0.002 15 0 "[ . 1 . 2]" 1
440 1 37 ILE MD 1 37 ILE MG . . 3.620 2.043 1.856 3.171 . 0 0 "[ . 1 . 2]" 1
441 1 37 ILE MD 1 97 ALA MB . . 3.490 2.697 1.889 3.332 . 0 0 "[ . 1 . 2]" 1
442 1 37 ILE MG 1 97 ALA MB . . 3.780 2.555 1.954 3.687 . 0 0 "[ . 1 . 2]" 1
443 1 38 LEU H 1 38 LEU MD1 . . 4.780 3.497 3.248 3.757 . 0 0 "[ . 1 . 2]" 1
444 1 38 LEU H 1 38 LEU MD2 . . 4.780 3.315 2.804 3.655 . 0 0 "[ . 1 . 2]" 1
445 1 38 LEU H 1 38 LEU HG . . 4.380 2.144 1.898 2.524 . 0 0 "[ . 1 . 2]" 1
446 1 38 LEU H 1 99 ASN HA . . 4.800 3.216 2.210 3.827 . 0 0 "[ . 1 . 2]" 1
447 1 38 LEU HA 1 38 LEU MD1 . . 4.630 3.910 3.827 3.964 . 0 0 "[ . 1 . 2]" 1
448 1 38 LEU HA 1 38 LEU MD2 . . 3.120 2.188 1.990 2.463 . 0 0 "[ . 1 . 2]" 1
449 1 38 LEU HA 1 38 LEU HG . . 3.870 3.084 2.887 3.300 . 0 0 "[ . 1 . 2]" 1
450 1 38 LEU HB2 1 38 LEU MD1 . . 3.590 2.203 2.020 2.336 . 0 0 "[ . 1 . 2]" 1
451 1 38 LEU HB3 1 38 LEU MD1 . . 3.590 2.465 2.331 2.647 . 0 0 "[ . 1 . 2]" 1
452 1 38 LEU MD1 1 98 LYS QD . . 4.530 3.458 2.260 4.359 . 0 0 "[ . 1 . 2]" 1
453 1 38 LEU MD1 1 98 LYS QE . . 4.020 2.929 1.994 4.018 . 0 0 "[ . 1 . 2]" 1
454 1 38 LEU MD1 1 98 LYS QG . . 4.070 2.979 1.927 4.058 . 0 0 "[ . 1 . 2]" 1
455 1 38 LEU MD1 1 99 ASN HA . . 4.490 3.367 2.516 4.139 . 0 0 "[ . 1 . 2]" 1
456 1 38 LEU MD1 1 100 GLU H . . 4.840 3.404 2.145 4.578 . 0 0 "[ . 1 . 2]" 1
457 1 38 LEU MD1 1 100 GLU HA . . 3.600 2.538 2.052 3.233 . 0 0 "[ . 1 . 2]" 1
458 1 38 LEU MD1 1 100 GLU HB2 . . 5.460 4.565 1.929 5.414 . 0 0 "[ . 1 . 2]" 1
459 1 38 LEU MD1 1 100 GLU QB . . 4.610 4.049 1.918 4.611 0.001 17 0 "[ . 1 . 2]" 1
460 1 38 LEU MD1 1 100 GLU HB3 . . 5.460 4.637 3.396 5.248 . 0 0 "[ . 1 . 2]" 1
461 1 38 LEU MD1 1 100 GLU QG . . 3.930 3.514 2.461 3.932 0.002 17 0 "[ . 1 . 2]" 1
462 1 38 LEU MD2 1 99 ASN HA . . 4.900 4.682 4.302 4.909 0.009 11 0 "[ . 1 . 2]" 1
463 1 38 LEU HG 1 99 ASN HA . . 4.320 3.297 2.937 3.563 . 0 0 "[ . 1 . 2]" 1
464 1 39 GLU HA 1 67 LEU QB . . 4.770 2.508 1.805 2.808 . 0 0 "[ . 1 . 2]" 1
465 1 39 GLU HA 1 67 LEU MD1 . . 4.520 4.220 2.797 4.525 0.005 11 0 "[ . 1 . 2]" 1
466 1 39 GLU HA 1 67 LEU MD2 . . 4.840 4.074 2.967 4.702 . 0 0 "[ . 1 . 2]" 1
467 1 39 GLU QB 1 66 GLY H . . 5.340 4.360 3.534 5.333 . 0 0 "[ . 1 . 2]" 1
468 1 39 GLU QB 1 67 LEU MD2 . . 4.300 3.779 2.489 4.318 0.018 16 0 "[ . 1 . 2]" 1
469 1 39 GLU QG 1 67 LEU MD1 . . 4.560 3.802 3.199 4.610 0.050 19 0 "[ . 1 . 2]" 1
470 1 39 GLU QG 1 67 LEU MD2 . . 4.860 2.795 1.871 4.720 . 0 0 "[ . 1 . 2]" 1
471 1 40 TYR H 1 40 TYR HB2 . . 2.700 2.479 2.241 2.618 . 0 0 "[ . 1 . 2]" 1
472 1 40 TYR H 1 40 TYR HB3 . . 3.800 3.671 3.517 3.767 . 0 0 "[ . 1 . 2]" 1
473 1 40 TYR H 1 66 GLY H . . 4.380 4.189 3.697 4.395 0.015 19 0 "[ . 1 . 2]" 1
474 1 40 TYR H 1 67 LEU H . . 5.310 4.266 3.657 4.590 . 0 0 "[ . 1 . 2]" 1
475 1 40 TYR HA 1 41 SER H . . 3.240 2.443 2.393 2.468 . 0 0 "[ . 1 . 2]" 1
476 1 40 TYR HA 1 97 ALA HA . . 3.740 2.986 2.517 3.342 . 0 0 "[ . 1 . 2]" 1
477 1 40 TYR HA 1 97 ALA MB . . 4.560 4.044 3.053 4.561 0.001 18 0 "[ . 1 . 2]" 1
478 1 40 TYR HA 1 103 TYR QE . . 4.200 3.558 2.423 4.202 0.002 16 0 "[ . 1 . 2]" 1
479 1 40 TYR HB2 1 41 SER H . . 3.800 3.628 3.440 3.790 . 0 0 "[ . 1 . 2]" 1
480 1 40 TYR HB2 1 64 TYR QE . . 4.130 3.904 2.951 4.137 0.007 10 0 "[ . 1 . 2]" 1
481 1 40 TYR HB3 1 41 SER H . . 2.500 2.346 2.279 2.455 . 0 0 "[ . 1 . 2]" 1
482 1 40 TYR HB3 1 64 TYR QE . . 4.890 4.607 3.958 4.889 . 0 0 "[ . 1 . 2]" 1
483 1 40 TYR HB3 1 95 ILE MG . . 4.610 3.839 3.589 4.298 . 0 0 "[ . 1 . 2]" 1
484 1 41 SER H 1 41 SER QB . . 3.670 2.887 2.652 3.251 . 0 0 "[ . 1 . 2]" 1
485 1 41 SER H 1 96 SER H . . 3.870 3.739 3.457 3.895 0.025 11 0 "[ . 1 . 2]" 1
486 1 41 SER H 1 97 ALA HA . . 4.290 3.898 3.406 4.275 . 0 0 "[ . 1 . 2]" 1
487 1 41 SER H 1 97 ALA MB . . 5.500 5.078 4.251 5.491 . 0 0 "[ . 1 . 2]" 1
488 1 41 SER H 1 103 TYR QE . . 3.810 3.394 2.750 3.813 0.003 4 0 "[ . 1 . 2]" 1
489 1 41 SER HA 1 42 ALA H . . 3.040 2.193 2.138 2.344 . 0 0 "[ . 1 . 2]" 1
490 1 41 SER HA 1 42 ALA MB . . 4.700 3.912 3.803 3.999 . 0 0 "[ . 1 . 2]" 1
491 1 41 SER HA 1 64 TYR HB3 . . 5.500 5.081 4.371 5.493 . 0 0 "[ . 1 . 2]" 1
492 1 41 SER HA 1 65 CYS HA . . 3.890 3.183 2.373 3.849 . 0 0 "[ . 1 . 2]" 1
493 1 41 SER HA 1 65 CYS QB . . 5.330 4.783 4.020 5.343 0.013 19 0 "[ . 1 . 2]" 1
494 1 41 SER HA 1 66 GLY H . . 4.150 3.458 2.849 4.026 . 0 0 "[ . 1 . 2]" 1
495 1 41 SER QB 1 42 ALA H . . 3.900 3.347 2.536 3.820 . 0 0 "[ . 1 . 2]" 1
496 1 41 SER QB 1 43 TYR QE . . 3.600 2.494 2.033 3.292 . 0 0 "[ . 1 . 2]" 1
497 1 41 SER QB 1 103 TYR QE . . 4.090 2.771 2.018 3.751 . 0 0 "[ . 1 . 2]" 1
498 1 41 SER HB2 1 42 ALA H . . 4.650 3.877 2.840 4.431 . 0 0 "[ . 1 . 2]" 1
499 1 41 SER HB2 1 43 TYR QE . . 4.170 3.466 2.413 4.007 . 0 0 "[ . 1 . 2]" 1
500 1 41 SER HB3 1 42 ALA H . . 4.650 3.894 2.583 4.234 . 0 0 "[ . 1 . 2]" 1
501 1 41 SER HB3 1 43 TYR QE . . 4.170 2.865 2.044 4.172 0.002 4 0 "[ . 1 . 2]" 1
502 1 42 ALA H 1 42 ALA MB . . 3.480 2.355 2.214 2.529 . 0 0 "[ . 1 . 2]" 1
503 1 42 ALA H 1 43 TYR QD . . 4.660 4.492 4.261 4.665 0.005 16 0 "[ . 1 . 2]" 1
504 1 42 ALA H 1 62 ARG QG . . 4.260 3.355 2.964 4.084 . 0 0 "[ . 1 . 2]" 1
505 1 42 ALA H 1 64 TYR H . . 3.860 3.435 2.961 3.691 . 0 0 "[ . 1 . 2]" 1
506 1 42 ALA H 1 64 TYR HB3 . . 4.020 3.520 3.142 4.017 . 0 0 "[ . 1 . 2]" 1
507 1 42 ALA H 1 65 CYS HA . . 4.330 4.020 3.293 4.331 0.001 17 0 "[ . 1 . 2]" 1
508 1 42 ALA HA 1 43 TYR H . . 3.100 2.225 2.141 2.420 . 0 0 "[ . 1 . 2]" 1
509 1 42 ALA HA 1 43 TYR QD . . 3.870 2.973 2.496 3.559 . 0 0 "[ . 1 . 2]" 1
510 1 42 ALA HA 1 95 ILE HA . . 3.720 2.838 2.553 3.150 . 0 0 "[ . 1 . 2]" 1
511 1 42 ALA HA 1 95 ILE MG . . 4.260 3.378 2.723 3.825 . 0 0 "[ . 1 . 2]" 1
512 1 42 ALA HA 1 96 SER H . . 4.550 3.953 3.556 4.363 . 0 0 "[ . 1 . 2]" 1
513 1 42 ALA MB 1 43 TYR H . . 3.670 2.906 2.334 3.360 . 0 0 "[ . 1 . 2]" 1
514 1 42 ALA MB 1 63 ILE MD . . 3.300 3.049 2.344 3.299 . 0 0 "[ . 1 . 2]" 1
515 1 42 ALA MB 1 63 ILE HG12 . . 4.180 3.180 2.692 3.576 . 0 0 "[ . 1 . 2]" 1
516 1 42 ALA MB 1 63 ILE QG . . 3.580 2.724 2.203 3.082 . 0 0 "[ . 1 . 2]" 1
517 1 42 ALA MB 1 63 ILE HG13 . . 4.180 2.979 2.326 3.380 . 0 0 "[ . 1 . 2]" 1
518 1 42 ALA MB 1 64 TYR H . . 3.930 3.205 2.617 3.831 . 0 0 "[ . 1 . 2]" 1
519 1 42 ALA MB 1 64 TYR HB2 . . 3.940 3.725 3.294 3.953 0.013 11 0 "[ . 1 . 2]" 1
520 1 42 ALA MB 1 64 TYR HB3 . . 3.450 2.249 1.962 2.543 . 0 0 "[ . 1 . 2]" 1
521 1 42 ALA MB 1 95 ILE HA . . 4.590 3.943 3.376 4.393 . 0 0 "[ . 1 . 2]" 1
522 1 42 ALA MB 1 95 ILE MG . . 3.700 3.396 2.949 3.703 0.003 14 0 "[ . 1 . 2]" 1
523 1 43 TYR H 1 43 TYR QB . . 3.570 2.620 2.439 2.855 . 0 0 "[ . 1 . 2]" 1
524 1 43 TYR H 1 43 TYR QD . . 3.630 2.460 2.031 3.070 . 0 0 "[ . 1 . 2]" 1
525 1 43 TYR H 1 63 ILE MD . . 5.500 4.694 3.983 5.274 . 0 0 "[ . 1 . 2]" 1
526 1 43 TYR H 1 94 ARG H . . 3.800 3.547 3.171 3.802 0.002 10 0 "[ . 1 . 2]" 1
527 1 43 TYR H 1 94 ARG QB . . 5.340 3.489 2.818 4.149 . 0 0 "[ . 1 . 2]" 1
528 1 43 TYR H 1 95 ILE HA . . 4.260 3.502 2.891 4.075 . 0 0 "[ . 1 . 2]" 1
529 1 43 TYR HA 1 43 TYR QD . . 4.340 3.159 3.031 3.261 . 0 0 "[ . 1 . 2]" 1
530 1 43 TYR HA 1 44 LEU H . . 3.260 2.312 2.189 2.403 . 0 0 "[ . 1 . 2]" 1
531 1 43 TYR HA 1 62 ARG HA . . 3.850 2.396 2.158 2.707 . 0 0 "[ . 1 . 2]" 1
532 1 43 TYR HA 1 62 ARG QG . . 5.190 4.214 3.969 4.552 . 0 0 "[ . 1 . 2]" 1
533 1 43 TYR HA 1 63 ILE H . . 3.780 2.778 2.592 3.017 . 0 0 "[ . 1 . 2]" 1
534 1 43 TYR HA 1 63 ILE MD . . 4.470 4.205 3.737 4.466 . 0 0 "[ . 1 . 2]" 1
535 1 43 TYR HA 1 63 ILE QG . . 4.250 2.925 2.414 3.206 . 0 0 "[ . 1 . 2]" 1
536 1 43 TYR HA 1 63 ILE MG . . 3.950 3.347 2.920 3.756 . 0 0 "[ . 1 . 2]" 1
537 1 43 TYR HA 1 64 TYR H . . 4.630 4.415 4.249 4.548 . 0 0 "[ . 1 . 2]" 1
538 1 43 TYR QB 1 44 LEU H . . 3.850 2.628 2.392 2.982 . 0 0 "[ . 1 . 2]" 1
539 1 43 TYR QB 1 60 PHE QB . . 3.840 1.927 1.744 2.182 . 0 0 "[ . 1 . 2]" 1
540 1 43 TYR QB 1 60 PHE QD . . 3.830 3.287 2.565 3.724 . 0 0 "[ . 1 . 2]" 1
541 1 43 TYR QB 1 94 ARG H . . 4.420 3.947 3.440 4.439 0.019 16 0 "[ . 1 . 2]" 1
542 1 43 TYR QB 1 94 ARG QB . . 4.120 2.294 1.960 2.839 . 0 0 "[ . 1 . 2]" 1
543 1 43 TYR HB2 1 60 PHE QD . . 4.440 3.735 2.896 4.420 . 0 0 "[ . 1 . 2]" 1
544 1 43 TYR HB3 1 60 PHE QD . . 4.440 3.694 2.851 4.158 . 0 0 "[ . 1 . 2]" 1
545 1 43 TYR QD 1 44 LEU H . . 4.490 4.055 3.533 4.350 . 0 0 "[ . 1 . 2]" 1
546 1 43 TYR QD 1 60 PHE QB . . 4.360 3.208 2.786 3.544 . 0 0 "[ . 1 . 2]" 1
547 1 43 TYR QD 1 61 MET H . . 5.050 3.839 3.181 4.598 . 0 0 "[ . 1 . 2]" 1
548 1 43 TYR QD 1 62 ARG HA . . 4.070 3.120 2.874 3.329 . 0 0 "[ . 1 . 2]" 1
549 1 43 TYR QD 1 62 ARG QB . . 4.580 3.432 3.082 3.807 . 0 0 "[ . 1 . 2]" 1
550 1 43 TYR QD 1 62 ARG QG . . 5.340 4.253 3.827 4.736 . 0 0 "[ . 1 . 2]" 1
551 1 43 TYR QD 1 94 ARG QB . . 4.220 3.574 2.977 4.102 . 0 0 "[ . 1 . 2]" 1
552 1 43 TYR QD 1 96 SER H . . 4.840 4.169 3.355 4.657 . 0 0 "[ . 1 . 2]" 1
553 1 43 TYR QE 1 62 ARG HB2 . . 4.540 2.764 2.531 2.933 . 0 0 "[ . 1 . 2]" 1
554 1 43 TYR QE 1 62 ARG QB . . 3.910 2.730 2.511 2.898 . 0 0 "[ . 1 . 2]" 1
555 1 43 TYR QE 1 62 ARG HB3 . . 4.540 4.259 3.789 4.526 . 0 0 "[ . 1 . 2]" 1
556 1 43 TYR QE 1 96 SER H . . 4.720 4.232 3.274 4.723 0.003 20 0 "[ . 1 . 2]" 1
557 1 44 LEU H 1 44 LEU HB2 . . 3.740 3.299 2.852 3.495 . 0 0 "[ . 1 . 2]" 1
558 1 44 LEU H 1 44 LEU QB . . 3.280 2.539 2.344 2.690 . 0 0 "[ . 1 . 2]" 1
559 1 44 LEU H 1 44 LEU HB3 . . 3.740 2.643 2.432 2.846 . 0 0 "[ . 1 . 2]" 1
560 1 44 LEU H 1 44 LEU MD1 . . 4.650 4.480 4.287 4.637 . 0 0 "[ . 1 . 2]" 1
561 1 44 LEU H 1 44 LEU MD2 . . 4.520 4.399 4.241 4.586 0.066 16 0 "[ . 1 . 2]" 1
562 1 44 LEU H 1 60 PHE QB . . 4.950 3.217 2.505 4.113 . 0 0 "[ . 1 . 2]" 1
563 1 44 LEU H 1 62 ARG HA . . 4.410 4.073 3.848 4.366 . 0 0 "[ . 1 . 2]" 1
564 1 44 LEU H 1 63 ILE MG . . 3.880 2.809 1.899 3.391 . 0 0 "[ . 1 . 2]" 1
565 1 44 LEU HA 1 44 LEU MD1 . . 3.300 2.364 2.029 2.702 . 0 0 "[ . 1 . 2]" 1
566 1 44 LEU HA 1 44 LEU MD2 . . 4.400 3.968 3.908 4.017 . 0 0 "[ . 1 . 2]" 1
567 1 44 LEU HA 1 45 ALA H . . 3.370 2.155 2.139 2.217 . 0 0 "[ . 1 . 2]" 1
568 1 44 LEU HA 1 45 ALA MB . . 4.560 3.950 3.899 4.006 . 0 0 "[ . 1 . 2]" 1
569 1 44 LEU HA 1 63 ILE MD . . 5.010 4.095 3.582 4.407 . 0 0 "[ . 1 . 2]" 1
570 1 44 LEU HA 1 63 ILE MG . . 4.570 4.198 3.516 4.560 . 0 0 "[ . 1 . 2]" 1
571 1 44 LEU HA 1 93 PHE HA . . 3.760 3.059 2.611 3.473 . 0 0 "[ . 1 . 2]" 1
572 1 44 LEU HA 1 93 PHE QD . . 4.440 3.365 2.747 3.921 . 0 0 "[ . 1 . 2]" 1
573 1 44 LEU QB 1 44 LEU MD1 . . 3.030 2.176 2.024 2.314 . 0 0 "[ . 1 . 2]" 1
574 1 44 LEU QB 1 46 ILE MG . . 4.010 3.459 2.796 3.756 . 0 0 "[ . 1 . 2]" 1
575 1 44 LEU QB 1 63 ILE MD . . 3.660 2.168 1.932 2.777 . 0 0 "[ . 1 . 2]" 1
576 1 44 LEU HB2 1 44 LEU MD2 . . 3.380 2.546 2.422 2.712 . 0 0 "[ . 1 . 2]" 1
577 1 44 LEU HB2 1 63 ILE MD . . 4.190 2.241 1.974 2.893 . 0 0 "[ . 1 . 2]" 1
578 1 44 LEU HB2 1 63 ILE MG . . 3.540 2.726 1.959 3.382 . 0 0 "[ . 1 . 2]" 1
579 1 44 LEU HB3 1 44 LEU MD2 . . 3.380 2.127 1.976 2.285 . 0 0 "[ . 1 . 2]" 1
580 1 44 LEU HB3 1 63 ILE MD . . 4.190 2.995 2.337 3.581 . 0 0 "[ . 1 . 2]" 1
581 1 44 LEU HB3 1 63 ILE MG . . 3.540 2.002 1.841 2.190 . 0 0 "[ . 1 . 2]" 1
582 1 44 LEU MD1 1 45 ALA H . . 3.460 2.809 2.391 3.204 . 0 0 "[ . 1 . 2]" 1
583 1 44 LEU MD1 1 63 ILE MD . . 4.570 3.350 2.642 4.024 . 0 0 "[ . 1 . 2]" 1
584 1 44 LEU MD1 1 73 VAL MG1 . . 4.280 3.755 3.332 4.246 . 0 0 "[ . 1 . 2]" 1
585 1 44 LEU MD1 1 78 LEU HA . . 4.580 4.043 3.466 4.485 . 0 0 "[ . 1 . 2]" 1
586 1 44 LEU MD1 1 81 ALA H . . 4.800 4.635 4.214 4.812 0.012 19 0 "[ . 1 . 2]" 1
587 1 44 LEU MD1 1 81 ALA HA . . 4.130 3.421 2.980 3.976 . 0 0 "[ . 1 . 2]" 1
588 1 44 LEU MD1 1 81 ALA MB . . 3.190 1.991 1.833 2.289 . 0 0 "[ . 1 . 2]" 1
589 1 44 LEU MD1 1 91 ILE MG . . 3.170 2.348 1.989 2.762 . 0 0 "[ . 1 . 2]" 1
590 1 44 LEU MD1 1 93 PHE HA . . 4.530 3.147 2.572 3.542 . 0 0 "[ . 1 . 2]" 1
591 1 44 LEU MD1 1 93 PHE QD . . 4.470 2.807 2.246 3.284 . 0 0 "[ . 1 . 2]" 1
592 1 44 LEU MD1 1 93 PHE QE . . 3.550 2.259 1.867 2.707 . 0 0 "[ . 1 . 2]" 1
593 1 44 LEU MD1 1 93 PHE HZ . . 4.070 3.175 2.534 3.604 . 0 0 "[ . 1 . 2]" 1
594 1 44 LEU MD2 1 46 ILE MG . . 3.460 2.953 2.451 3.390 . 0 0 "[ . 1 . 2]" 1
595 1 44 LEU MD2 1 61 MET ME . . 3.430 2.930 2.326 3.382 . 0 0 "[ . 1 . 2]" 1
596 1 44 LEU MD2 1 63 ILE MG . . 3.320 2.403 1.975 2.795 . 0 0 "[ . 1 . 2]" 1
597 1 44 LEU MD2 1 77 GLN QB . . 4.350 2.911 2.386 3.327 . 0 0 "[ . 1 . 2]" 1
598 1 44 LEU MD2 1 78 LEU HA . . 3.740 2.907 2.495 3.138 . 0 0 "[ . 1 . 2]" 1
599 1 44 LEU MD2 1 78 LEU HG . . 4.550 4.283 3.876 4.546 . 0 0 "[ . 1 . 2]" 1
600 1 44 LEU MD2 1 81 ALA H . . 3.980 3.109 2.802 3.836 . 0 0 "[ . 1 . 2]" 1
601 1 44 LEU MD2 1 81 ALA HA . . 4.150 2.802 2.502 3.499 . 0 0 "[ . 1 . 2]" 1
602 1 44 LEU MD2 1 81 ALA MB . . 3.190 1.948 1.790 2.173 . 0 0 "[ . 1 . 2]" 1
603 1 44 LEU HG 1 45 ALA H . . 4.290 3.184 2.577 3.750 . 0 0 "[ . 1 . 2]" 1
604 1 44 LEU HG 1 45 ALA MB . . 4.620 4.053 3.723 4.383 . 0 0 "[ . 1 . 2]" 1
605 1 44 LEU HG 1 46 ILE MG . . 3.570 2.920 2.018 3.550 . 0 0 "[ . 1 . 2]" 1
606 1 45 ALA H 1 45 ALA MB . . 3.470 2.111 2.026 2.231 . 0 0 "[ . 1 . 2]" 1
607 1 45 ALA H 1 46 ILE MG . . 5.100 4.449 4.088 4.735 . 0 0 "[ . 1 . 2]" 1
608 1 45 ALA H 1 93 PHE HA . . 4.780 3.557 2.749 4.308 . 0 0 "[ . 1 . 2]" 1
609 1 45 ALA HA 1 46 ILE H . . 3.280 2.162 2.141 2.220 . 0 0 "[ . 1 . 2]" 1
610 1 45 ALA HA 1 60 PHE HA . . 3.850 2.230 2.051 2.574 . 0 0 "[ . 1 . 2]" 1
611 1 45 ALA HA 1 60 PHE QD . . 4.600 3.042 2.124 3.771 . 0 0 "[ . 1 . 2]" 1
612 1 45 ALA HA 1 61 MET H . . 4.080 3.770 3.353 4.082 0.002 13 0 "[ . 1 . 2]" 1
613 1 45 ALA MB 1 46 ILE H . . 3.940 3.132 2.834 3.500 . 0 0 "[ . 1 . 2]" 1
614 1 45 ALA MB 1 58 LEU HB2 . . 4.530 4.022 2.776 4.511 . 0 0 "[ . 1 . 2]" 1
615 1 45 ALA MB 1 58 LEU QB . . 3.800 2.775 2.250 3.188 . 0 0 "[ . 1 . 2]" 1
616 1 45 ALA MB 1 58 LEU HB3 . . 4.530 2.841 2.276 3.262 . 0 0 "[ . 1 . 2]" 1
617 1 45 ALA MB 1 58 LEU MD1 . . 4.410 3.098 2.490 3.862 . 0 0 "[ . 1 . 2]" 1
618 1 45 ALA MB 1 58 LEU MD2 . . 3.490 2.635 2.042 3.468 . 0 0 "[ . 1 . 2]" 1
619 1 45 ALA MB 1 60 PHE HA . . 4.400 3.720 3.391 4.106 . 0 0 "[ . 1 . 2]" 1
620 1 45 ALA MB 1 60 PHE QD . . 4.350 2.855 2.025 3.411 . 0 0 "[ . 1 . 2]" 1
621 1 45 ALA MB 1 60 PHE QE . . 3.950 2.426 1.955 3.027 . 0 0 "[ . 1 . 2]" 1
622 1 45 ALA MB 1 82 HIS QB . . 3.800 2.877 2.070 3.806 0.006 10 0 "[ . 1 . 2]" 1
623 1 45 ALA MB 1 92 VAL H . . 4.590 3.963 3.419 4.606 0.016 19 0 "[ . 1 . 2]" 1
624 1 45 ALA MB 1 92 VAL HB . . 3.470 2.682 1.952 3.286 . 0 0 "[ . 1 . 2]" 1
625 1 46 ILE H 1 46 ILE MD . . 3.980 3.328 1.716 3.961 . 0 0 "[ . 1 . 2]" 1
626 1 46 ILE H 1 46 ILE HG12 . . 4.030 2.699 2.097 3.772 . 0 0 "[ . 1 . 2]" 1
627 1 46 ILE H 1 46 ILE QG . . 3.540 2.402 2.025 3.298 . 0 0 "[ . 1 . 2]" 1
628 1 46 ILE H 1 46 ILE HG13 . . 4.030 2.981 2.093 4.026 . 0 0 "[ . 1 . 2]" 1
629 1 46 ILE H 1 46 ILE MG . . 3.960 2.886 2.504 3.161 . 0 0 "[ . 1 . 2]" 1
630 1 46 ILE H 1 60 PHE HA . . 3.940 3.185 2.559 3.825 . 0 0 "[ . 1 . 2]" 1
631 1 46 ILE H 1 61 MET H . . 4.500 4.226 3.913 4.446 . 0 0 "[ . 1 . 2]" 1
632 1 46 ILE HA 1 46 ILE MG . . 3.350 2.359 2.222 2.527 . 0 0 "[ . 1 . 2]" 1
633 1 46 ILE HA 1 61 MET ME . . 5.500 5.004 4.599 5.547 0.047 14 0 "[ . 1 . 2]" 1
634 1 46 ILE HA 1 81 ALA HA . . 3.820 2.796 2.050 3.578 . 0 0 "[ . 1 . 2]" 1
635 1 46 ILE HA 1 82 HIS H . . 3.910 2.628 1.921 3.732 . 0 0 "[ . 1 . 2]" 1
636 1 46 ILE HB 1 46 ILE MD . . 3.270 2.507 2.116 3.224 . 0 0 "[ . 1 . 2]" 1
637 1 46 ILE HB 1 47 ARG H . . 3.920 2.529 1.914 3.691 . 0 0 "[ . 1 . 2]" 1
638 1 46 ILE HB 1 80 ASN HB2 . . 4.620 3.976 2.506 4.603 . 0 0 "[ . 1 . 2]" 1
639 1 46 ILE HB 1 80 ASN HB3 . . 4.620 3.203 2.225 4.472 . 0 0 "[ . 1 . 2]" 1
640 1 46 ILE MD 1 61 MET QB . . 3.270 2.605 1.966 3.349 0.079 14 0 "[ . 1 . 2]" 1
641 1 46 ILE MD 1 61 MET HG2 . . 4.440 2.541 1.874 3.527 . 0 0 "[ . 1 . 2]" 1
642 1 46 ILE MD 1 61 MET QG . . 3.740 2.479 1.862 3.393 . 0 0 "[ . 1 . 2]" 1
643 1 46 ILE MD 1 61 MET HG3 . . 4.440 3.698 3.073 4.410 . 0 0 "[ . 1 . 2]" 1
644 1 46 ILE QG 1 61 MET QB . . 3.950 3.270 2.485 3.873 . 0 0 "[ . 1 . 2]" 1
645 1 46 ILE QG 1 61 MET QG . . 3.850 2.731 1.844 3.826 . 0 0 "[ . 1 . 2]" 1
646 1 46 ILE MG 1 47 ARG H . . 4.150 3.724 3.453 3.998 . 0 0 "[ . 1 . 2]" 1
647 1 46 ILE MG 1 61 MET H . . 4.030 3.505 2.703 4.039 0.009 14 0 "[ . 1 . 2]" 1
648 1 46 ILE MG 1 61 MET HB2 . . 5.100 4.444 3.608 5.124 0.024 14 0 "[ . 1 . 2]" 1
649 1 46 ILE MG 1 61 MET QB . . 4.460 3.555 2.396 4.258 . 0 0 "[ . 1 . 2]" 1
650 1 46 ILE MG 1 61 MET HB3 . . 5.100 3.752 2.432 4.551 . 0 0 "[ . 1 . 2]" 1
651 1 46 ILE MG 1 61 MET ME . . 3.220 2.099 1.847 2.646 . 0 0 "[ . 1 . 2]" 1
652 1 46 ILE MG 1 61 MET HG2 . . 4.070 2.177 1.779 2.983 . 0 0 "[ . 1 . 2]" 1
653 1 46 ILE MG 1 61 MET HG3 . . 4.070 2.948 1.928 3.820 . 0 0 "[ . 1 . 2]" 1
654 1 46 ILE MG 1 80 ASN HB2 . . 4.100 2.720 2.096 3.327 . 0 0 "[ . 1 . 2]" 1
655 1 46 ILE MG 1 80 ASN HB3 . . 4.100 2.771 2.171 4.106 0.006 16 0 "[ . 1 . 2]" 1
656 1 46 ILE MG 1 81 ALA HA . . 3.730 2.840 1.957 3.701 . 0 0 "[ . 1 . 2]" 1
657 1 46 ILE MG 1 82 HIS H . . 5.360 3.880 3.147 4.569 . 0 0 "[ . 1 . 2]" 1
658 1 47 ARG H 1 47 ARG QB . . 3.690 2.582 2.134 3.350 . 0 0 "[ . 1 . 2]" 1
659 1 47 ARG H 1 47 ARG QD . . 4.980 4.192 3.387 5.024 0.044 16 0 "[ . 1 . 2]" 1
660 1 47 ARG H 1 47 ARG QG . . 4.380 3.038 1.847 4.119 . 0 0 "[ . 1 . 2]" 1
661 1 47 ARG QB 1 48 THR MG . . 4.630 4.326 3.402 4.632 0.002 6 0 "[ . 1 . 2]" 1
662 1 47 ARG QD 1 48 THR H . . 5.410 3.901 2.225 5.445 0.035 16 0 "[ . 1 . 2]" 1
663 1 47 ARG QG 1 48 THR H . . 4.860 3.660 1.879 4.625 . 0 0 "[ . 1 . 2]" 1
664 1 48 THR H 1 48 THR MG . . 4.200 2.439 1.888 3.217 . 0 0 "[ . 1 . 2]" 1
665 1 50 GLN HA 1 50 GLN QG . . 3.570 2.612 2.247 3.338 . 0 0 "[ . 1 . 2]" 1
666 1 51 MET H 1 51 MET QG . . 4.670 3.380 2.176 4.470 . 0 0 "[ . 1 . 2]" 1
667 1 52 GLN HA 1 52 GLN QG . . 3.810 2.715 2.166 3.513 . 0 0 "[ . 1 . 2]" 1
668 1 52 GLN QB 1 53 ASP H . . 4.400 3.001 2.020 4.030 . 0 0 "[ . 1 . 2]" 1
669 1 52 GLN QG 1 53 ASP H . . 4.600 3.543 1.913 4.529 . 0 0 "[ . 1 . 2]" 1
670 1 53 ASP H 1 54 ASN H . . 4.610 3.615 2.490 4.590 . 0 0 "[ . 1 . 2]" 1
671 1 53 ASP QB 1 54 ASN H . . 4.440 3.294 1.898 4.036 . 0 0 "[ . 1 . 2]" 1
672 1 54 ASN HA 1 55 PRO HD2 . . 3.470 2.330 2.124 2.482 . 0 0 "[ . 1 . 2]" 1
673 1 54 ASN HA 1 55 PRO QD . . 2.970 2.053 1.945 2.138 . 0 0 "[ . 1 . 2]" 1
674 1 54 ASN HA 1 55 PRO HD3 . . 3.470 2.283 2.256 2.334 . 0 0 "[ . 1 . 2]" 1
675 1 54 ASN HA 1 55 PRO QG . . 4.450 3.961 3.845 4.054 . 0 0 "[ . 1 . 2]" 1
676 1 54 ASN QB 1 55 PRO QD . . 3.700 2.144 1.964 2.538 . 0 0 "[ . 1 . 2]" 1
677 1 54 ASN QB 1 55 PRO QG . . 4.270 3.697 3.458 4.020 . 0 0 "[ . 1 . 2]" 1
678 1 54 ASN HB2 1 55 PRO HD2 . . 4.820 2.990 1.997 3.745 . 0 0 "[ . 1 . 2]" 1
679 1 54 ASN HB2 1 55 PRO HD3 . . 4.820 4.210 3.375 4.779 . 0 0 "[ . 1 . 2]" 1
680 1 54 ASN HB3 1 55 PRO HD2 . . 4.820 2.725 2.000 3.710 . 0 0 "[ . 1 . 2]" 1
681 1 54 ASN HB3 1 55 PRO HD3 . . 4.820 3.939 3.406 4.614 . 0 0 "[ . 1 . 2]" 1
682 1 55 PRO QB 1 56 SER QB . . 5.340 4.220 3.162 5.075 . 0 0 "[ . 1 . 2]" 1
683 1 55 PRO QG 1 56 SER H . . 5.390 4.066 1.985 4.735 . 0 0 "[ . 1 . 2]" 1
684 1 55 PRO QG 1 56 SER QB . . 5.500 4.987 3.468 5.511 0.011 6 0 "[ . 1 . 2]" 1
685 1 57 GLN H 1 57 GLN QG . . 4.630 3.500 1.935 4.222 . 0 0 "[ . 1 . 2]" 1
686 1 57 GLN HA 1 57 GLN QG . . 3.580 2.517 2.178 3.334 . 0 0 "[ . 1 . 2]" 1
687 1 57 GLN HA 1 58 LEU H . . 3.200 2.271 2.172 2.544 . 0 0 "[ . 1 . 2]" 1
688 1 57 GLN HA 1 58 LEU HB2 . . 5.500 4.276 4.056 5.142 . 0 0 "[ . 1 . 2]" 1
689 1 57 GLN HA 1 58 LEU HB3 . . 5.500 5.545 5.522 5.560 0.060 18 0 "[ . 1 . 2]" 1
690 1 57 GLN HA 1 58 LEU MD1 . . 5.500 4.945 4.180 5.424 . 0 0 "[ . 1 . 2]" 1
691 1 57 GLN HA 1 58 LEU HG . . 5.500 4.371 3.074 4.973 . 0 0 "[ . 1 . 2]" 1
692 1 57 GLN QB 1 58 LEU H . . 4.310 3.269 2.200 3.983 . 0 0 "[ . 1 . 2]" 1
693 1 57 GLN QG 1 58 LEU H . . 4.500 3.519 2.015 4.410 . 0 0 "[ . 1 . 2]" 1
694 1 58 LEU H 1 58 LEU QB . . 3.330 2.531 2.227 3.040 . 0 0 "[ . 1 . 2]" 1
695 1 58 LEU H 1 58 LEU MD1 . . 4.680 3.933 3.366 4.328 . 0 0 "[ . 1 . 2]" 1
696 1 58 LEU H 1 58 LEU MD2 . . 4.480 4.108 3.587 4.404 . 0 0 "[ . 1 . 2]" 1
697 1 58 LEU H 1 58 LEU HG . . 3.750 3.234 2.215 3.774 0.024 10 0 "[ . 1 . 2]" 1
698 1 58 LEU HA 1 58 LEU MD2 . . 3.370 2.225 1.998 2.761 . 0 0 "[ . 1 . 2]" 1
699 1 58 LEU QB 1 60 PHE QD . . 4.350 3.759 3.333 4.279 . 0 0 "[ . 1 . 2]" 1
700 1 58 LEU QB 1 60 PHE QE . . 3.720 2.529 1.965 3.204 . 0 0 "[ . 1 . 2]" 1
701 1 58 LEU HB2 1 60 PHE QE . . 4.280 2.903 1.995 4.019 . 0 0 "[ . 1 . 2]" 1
702 1 58 LEU HB2 1 60 PHE HZ . . 4.590 3.432 2.358 4.583 . 0 0 "[ . 1 . 2]" 1
703 1 58 LEU HB3 1 60 PHE QE . . 4.280 3.008 2.156 3.814 . 0 0 "[ . 1 . 2]" 1
704 1 58 LEU HB3 1 60 PHE HZ . . 4.590 3.501 2.790 4.527 . 0 0 "[ . 1 . 2]" 1
705 1 58 LEU MD1 1 60 PHE QD . . 5.500 4.935 4.218 5.495 . 0 0 "[ . 1 . 2]" 1
706 1 58 LEU MD1 1 60 PHE QE . . 4.420 3.342 2.350 4.045 . 0 0 "[ . 1 . 2]" 1
707 1 58 LEU MD1 1 60 PHE HZ . . 4.700 2.991 2.041 4.542 . 0 0 "[ . 1 . 2]" 1
708 1 58 LEU MD1 1 82 HIS HD2 . . 4.720 3.656 2.015 4.554 . 0 0 "[ . 1 . 2]" 1
709 1 58 LEU MD1 1 92 VAL HB . . 4.620 3.706 2.848 4.216 . 0 0 "[ . 1 . 2]" 1
710 1 58 LEU MD2 1 60 PHE QE . . 4.520 4.209 3.594 4.525 0.005 16 0 "[ . 1 . 2]" 1
711 1 58 LEU MD2 1 82 HIS HD2 . . 3.810 3.002 2.084 3.814 0.004 19 0 "[ . 1 . 2]" 1
712 1 58 LEU MD2 1 82 HIS HE1 . . 4.570 4.086 2.968 4.575 0.005 16 0 "[ . 1 . 2]" 1
713 1 58 LEU MD2 1 92 VAL MG1 . . 4.890 4.367 3.595 4.891 0.001 16 0 "[ . 1 . 2]" 1
714 1 58 LEU MD2 1 92 VAL MG2 . . 4.580 4.238 3.531 4.586 0.006 13 0 "[ . 1 . 2]" 1
715 1 59 VAL HA 1 59 VAL QG . . 2.940 2.167 2.043 2.367 . 0 0 "[ . 1 . 2]" 1
716 1 59 VAL HA 1 60 PHE H . . 3.350 2.175 2.139 2.256 . 0 0 "[ . 1 . 2]" 1
717 1 59 VAL HA 1 60 PHE QB . . 4.600 4.450 4.241 4.583 . 0 0 "[ . 1 . 2]" 1
718 1 59 VAL HB 1 60 PHE H . . 4.680 4.108 2.798 4.442 . 0 0 "[ . 1 . 2]" 1
719 1 59 VAL QG 1 60 PHE H . . 3.500 2.612 1.938 3.302 . 0 0 "[ . 1 . 2]" 1
720 1 59 VAL QG 1 60 PHE HA . . 4.450 3.678 3.359 3.964 . 0 0 "[ . 1 . 2]" 1
721 1 59 VAL QG 1 60 PHE QB . . 4.580 4.229 3.845 4.623 0.043 14 0 "[ . 1 . 2]" 1
722 1 59 VAL QG 1 60 PHE QD . . 4.600 4.122 3.710 4.476 . 0 0 "[ . 1 . 2]" 1
723 1 60 PHE H 1 60 PHE QB . . 3.630 2.556 2.414 2.765 . 0 0 "[ . 1 . 2]" 1
724 1 60 PHE H 1 60 PHE QD . . 4.040 2.298 1.894 3.050 . 0 0 "[ . 1 . 2]" 1
725 1 60 PHE H 1 60 PHE QE . . 5.130 4.384 4.032 4.950 . 0 0 "[ . 1 . 2]" 1
726 1 60 PHE HA 1 60 PHE QD . . 4.410 3.078 2.637 3.197 . 0 0 "[ . 1 . 2]" 1
727 1 60 PHE HA 1 61 MET H . . 3.270 2.241 2.140 2.461 . 0 0 "[ . 1 . 2]" 1
728 1 60 PHE HA 1 61 MET QG . . 4.710 3.881 3.642 4.254 . 0 0 "[ . 1 . 2]" 1
729 1 60 PHE QB 1 61 MET H . . 3.860 2.892 2.276 3.407 . 0 0 "[ . 1 . 2]" 1
730 1 60 PHE QD 1 61 MET H . . 4.700 4.266 3.845 4.625 . 0 0 "[ . 1 . 2]" 1
731 1 60 PHE QD 1 92 VAL MG1 . . 4.220 4.046 3.320 4.218 . 0 0 "[ . 1 . 2]" 1
732 1 60 PHE QD 1 94 ARG QB . . 4.590 2.792 2.010 3.519 . 0 0 "[ . 1 . 2]" 1
733 1 60 PHE QD 1 94 ARG QD . . 4.560 3.735 2.572 4.529 . 0 0 "[ . 1 . 2]" 1
734 1 60 PHE QE 1 92 VAL MG1 . . 3.370 2.129 1.856 2.514 . 0 0 "[ . 1 . 2]" 1
735 1 60 PHE QE 1 94 ARG H . . 5.500 4.749 3.564 5.508 0.008 18 0 "[ . 1 . 2]" 1
736 1 60 PHE QE 1 94 ARG QD . . 4.800 3.797 2.930 4.629 . 0 0 "[ . 1 . 2]" 1
737 1 60 PHE QE 1 94 ARG QG . . 4.640 2.788 2.135 4.008 . 0 0 "[ . 1 . 2]" 1
738 1 60 PHE HZ 1 92 VAL MG1 . . 3.680 2.692 1.855 3.560 . 0 0 "[ . 1 . 2]" 1
739 1 60 PHE HZ 1 92 VAL MG2 . . 5.500 4.709 3.920 5.473 . 0 0 "[ . 1 . 2]" 1
740 1 60 PHE HZ 1 94 ARG QG . . 4.580 3.459 2.577 4.581 0.001 1 0 "[ . 1 . 2]" 1
741 1 61 MET H 1 61 MET QB . . 3.360 2.909 2.522 3.161 . 0 0 "[ . 1 . 2]" 1
742 1 61 MET H 1 61 MET ME . . 4.610 4.340 3.966 4.606 . 0 0 "[ . 1 . 2]" 1
743 1 61 MET H 1 61 MET HG2 . . 4.580 2.831 2.287 3.795 . 0 0 "[ . 1 . 2]" 1
744 1 61 MET H 1 61 MET HG3 . . 4.580 2.682 1.894 3.599 . 0 0 "[ . 1 . 2]" 1
745 1 61 MET HA 1 61 MET ME . . 5.500 5.316 5.231 5.392 . 0 0 "[ . 1 . 2]" 1
746 1 61 MET HA 1 61 MET QG . . 3.650 3.360 3.308 3.462 . 0 0 "[ . 1 . 2]" 1
747 1 61 MET ME 1 61 MET HG2 . . 3.650 2.536 2.255 2.710 . 0 0 "[ . 1 . 2]" 1
748 1 61 MET ME 1 61 MET QG . . 3.150 2.179 2.113 2.232 . 0 0 "[ . 1 . 2]" 1
749 1 61 MET ME 1 61 MET HG3 . . 3.650 2.418 2.214 2.691 . 0 0 "[ . 1 . 2]" 1
750 1 61 MET ME 1 63 ILE HA . . 4.250 3.849 3.394 4.165 . 0 0 "[ . 1 . 2]" 1
751 1 61 MET ME 1 63 ILE MD . . 4.700 4.412 4.019 4.694 . 0 0 "[ . 1 . 2]" 1
752 1 61 MET ME 1 63 ILE MG . . 3.000 2.120 1.839 2.377 . 0 0 "[ . 1 . 2]" 1
753 1 61 MET ME 1 77 GLN HE21 . . 4.800 3.505 2.255 4.750 . 0 0 "[ . 1 . 2]" 1
754 1 61 MET ME 1 77 GLN QE . . 4.080 2.903 2.040 4.019 . 0 0 "[ . 1 . 2]" 1
755 1 61 MET ME 1 77 GLN HE22 . . 4.800 3.423 2.086 4.774 . 0 0 "[ . 1 . 2]" 1
756 1 61 MET ME 1 80 ASN HA . . 5.500 5.376 4.807 5.509 0.009 14 0 "[ . 1 . 2]" 1
757 1 61 MET ME 1 80 ASN HB2 . . 4.320 3.127 2.115 3.712 . 0 0 "[ . 1 . 2]" 1
758 1 61 MET ME 1 80 ASN QB . . 3.720 2.902 2.080 3.441 . 0 0 "[ . 1 . 2]" 1
759 1 61 MET ME 1 80 ASN HB3 . . 4.320 3.512 2.921 4.304 . 0 0 "[ . 1 . 2]" 1
760 1 61 MET ME 1 80 ASN HD21 . . 5.090 3.238 2.066 4.812 . 0 0 "[ . 1 . 2]" 1
761 1 61 MET ME 1 80 ASN QD . . 4.260 3.029 2.050 4.254 . 0 0 "[ . 1 . 2]" 1
762 1 61 MET ME 1 80 ASN HD22 . . 5.090 4.036 2.217 5.093 0.003 10 0 "[ . 1 . 2]" 1
763 1 61 MET QG 1 63 ILE MG . . 3.950 2.736 2.099 3.434 . 0 0 "[ . 1 . 2]" 1
764 1 62 ARG HA 1 62 ARG QG . . 3.620 2.416 2.283 2.616 . 0 0 "[ . 1 . 2]" 1
765 1 62 ARG HA 1 63 ILE H . . 3.480 2.152 2.140 2.187 . 0 0 "[ . 1 . 2]" 1
766 1 62 ARG HA 1 64 TYR H . . 3.900 3.680 3.378 3.839 . 0 0 "[ . 1 . 2]" 1
767 1 62 ARG QB 1 64 TYR H . . 5.280 4.543 3.998 4.898 . 0 0 "[ . 1 . 2]" 1
768 1 62 ARG QD 1 65 CYS QB . . 3.720 2.474 1.978 3.442 . 0 0 "[ . 1 . 2]" 1
769 1 62 ARG HD2 1 65 CYS QB . . 4.530 3.094 1.989 4.131 . 0 0 "[ . 1 . 2]" 1
770 1 62 ARG HD3 1 65 CYS QB . . 4.530 3.246 2.020 4.414 . 0 0 "[ . 1 . 2]" 1
771 1 62 ARG QG 1 63 ILE H . . 4.430 2.831 2.467 3.071 . 0 0 "[ . 1 . 2]" 1
772 1 62 ARG QG 1 64 TYR H . . 3.780 2.820 2.037 3.389 . 0 0 "[ . 1 . 2]" 1
773 1 62 ARG QG 1 65 CYS QB . . 4.740 3.514 2.939 4.452 . 0 0 "[ . 1 . 2]" 1
774 1 63 ILE H 1 63 ILE HG12 . . 3.810 2.222 2.030 2.519 . 0 0 "[ . 1 . 2]" 1
775 1 63 ILE H 1 63 ILE HG13 . . 3.810 2.759 2.435 3.129 . 0 0 "[ . 1 . 2]" 1
776 1 63 ILE H 1 63 ILE MG . . 3.660 2.828 2.673 3.031 . 0 0 "[ . 1 . 2]" 1
777 1 63 ILE H 1 64 TYR H . . 3.140 1.992 1.801 2.139 . 0 0 "[ . 1 . 2]" 1
778 1 63 ILE HA 1 63 ILE MG . . 3.210 2.282 2.189 2.393 . 0 0 "[ . 1 . 2]" 1
779 1 63 ILE HB 1 63 ILE MD . . 3.270 2.289 2.151 2.446 . 0 0 "[ . 1 . 2]" 1
780 1 63 ILE HB 1 77 GLN HE21 . . 4.490 2.989 1.935 4.192 . 0 0 "[ . 1 . 2]" 1
781 1 63 ILE HB 1 77 GLN QE . . 3.880 2.394 1.914 3.323 . 0 0 "[ . 1 . 2]" 1
782 1 63 ILE HB 1 77 GLN HE22 . . 4.490 2.936 1.923 4.339 . 0 0 "[ . 1 . 2]" 1
783 1 63 ILE MD 1 73 VAL HB . . 4.460 4.350 4.186 4.457 . 0 0 "[ . 1 . 2]" 1
784 1 63 ILE MD 1 73 VAL MG1 . . 3.120 2.764 2.391 3.125 0.005 14 0 "[ . 1 . 2]" 1
785 1 63 ILE MD 1 77 GLN QE . . 5.260 3.793 2.950 4.715 . 0 0 "[ . 1 . 2]" 1
786 1 63 ILE MD 1 93 PHE QD . . 4.230 3.458 2.883 4.064 . 0 0 "[ . 1 . 2]" 1
787 1 63 ILE MD 1 93 PHE QE . . 3.520 2.892 2.289 3.402 . 0 0 "[ . 1 . 2]" 1
788 1 63 ILE MD 1 93 PHE HZ . . 5.500 4.725 3.947 5.407 . 0 0 "[ . 1 . 2]" 1
789 1 63 ILE QG 1 64 TYR H . . 3.220 2.247 1.919 2.840 . 0 0 "[ . 1 . 2]" 1
790 1 63 ILE QG 1 73 VAL MG2 . . 3.960 3.659 3.392 3.807 . 0 0 "[ . 1 . 2]" 1
791 1 63 ILE HG12 1 64 TYR H . . 3.970 3.049 2.622 3.800 . 0 0 "[ . 1 . 2]" 1
792 1 63 ILE HG12 1 73 VAL MG2 . . 4.520 4.421 4.300 4.535 0.015 16 0 "[ . 1 . 2]" 1
793 1 63 ILE HG13 1 64 TYR H . . 3.970 2.323 1.936 2.984 . 0 0 "[ . 1 . 2]" 1
794 1 63 ILE HG13 1 73 VAL MG2 . . 4.520 3.908 3.552 4.144 . 0 0 "[ . 1 . 2]" 1
795 1 63 ILE MG 1 77 GLN HE21 . . 4.430 2.993 2.123 3.795 . 0 0 "[ . 1 . 2]" 1
796 1 63 ILE MG 1 77 GLN QE . . 3.890 2.636 1.995 3.273 . 0 0 "[ . 1 . 2]" 1
797 1 63 ILE MG 1 77 GLN HE22 . . 4.430 3.018 2.425 3.701 . 0 0 "[ . 1 . 2]" 1
798 1 64 TYR H 1 64 TYR HB2 . . 4.030 3.420 3.199 3.585 . 0 0 "[ . 1 . 2]" 1
799 1 64 TYR H 1 64 TYR HB3 . . 3.810 2.644 2.417 2.877 . 0 0 "[ . 1 . 2]" 1
800 1 64 TYR HB2 1 65 CYS H . . 4.080 3.947 3.735 4.077 . 0 0 "[ . 1 . 2]" 1
801 1 64 TYR QE 1 66 GLY H . . 4.410 3.150 2.223 4.339 . 0 0 "[ . 1 . 2]" 1
802 1 64 TYR QE 1 67 LEU H . . 4.730 4.422 3.835 4.742 0.012 20 0 "[ . 1 . 2]" 1
803 1 64 TYR QE 1 68 LYS H . . 4.360 3.806 3.183 4.364 0.004 16 0 "[ . 1 . 2]" 1
804 1 65 CYS H 1 65 CYS QB . . 3.300 2.811 2.443 3.067 . 0 0 "[ . 1 . 2]" 1
805 1 65 CYS H 1 66 GLY H . . 4.320 4.081 3.741 4.323 0.003 17 0 "[ . 1 . 2]" 1
806 1 65 CYS HA 1 66 GLY H . . 3.150 2.179 2.143 2.268 . 0 0 "[ . 1 . 2]" 1
807 1 65 CYS QB 1 66 GLY H . . 4.300 3.621 3.195 4.024 . 0 0 "[ . 1 . 2]" 1
808 1 66 GLY QA 1 67 LEU MD2 . . 4.020 2.911 2.516 3.274 . 0 0 "[ . 1 . 2]" 1
809 1 66 GLY HA2 1 67 LEU MD2 . . 4.850 3.065 2.587 3.492 . 0 0 "[ . 1 . 2]" 1
810 1 66 GLY HA3 1 67 LEU MD2 . . 4.850 3.687 3.342 4.008 . 0 0 "[ . 1 . 2]" 1
811 1 67 LEU H 1 67 LEU HB2 . . 3.870 3.680 3.584 3.802 . 0 0 "[ . 1 . 2]" 1
812 1 67 LEU H 1 67 LEU QB . . 3.250 2.856 2.473 3.155 . 0 0 "[ . 1 . 2]" 1
813 1 67 LEU H 1 67 LEU HB3 . . 3.870 2.987 2.521 3.392 . 0 0 "[ . 1 . 2]" 1
814 1 67 LEU H 1 67 LEU MD1 . . 4.680 3.909 3.749 4.052 . 0 0 "[ . 1 . 2]" 1
815 1 67 LEU H 1 67 LEU MD2 . . 4.310 1.913 1.716 2.186 . 0 0 "[ . 1 . 2]" 1
816 1 67 LEU H 1 67 LEU HG . . 3.750 2.663 2.203 3.281 . 0 0 "[ . 1 . 2]" 1
817 1 67 LEU H 1 68 LYS H . . 3.350 2.251 1.801 2.758 . 0 0 "[ . 1 . 2]" 1
818 1 67 LEU H 1 68 LYS HB2 . . 4.830 4.041 3.618 4.721 . 0 0 "[ . 1 . 2]" 1
819 1 67 LEU HA 1 67 LEU MD1 . . 4.280 4.088 4.022 4.130 . 0 0 "[ . 1 . 2]" 1
820 1 67 LEU HA 1 67 LEU MD2 . . 3.650 3.531 3.402 3.651 0.001 13 0 "[ . 1 . 2]" 1
821 1 67 LEU QB 1 67 LEU MD1 . . 3.100 2.049 1.934 2.097 . 0 0 "[ . 1 . 2]" 1
822 1 67 LEU HB2 1 67 LEU MD1 . . 3.630 2.162 1.986 2.391 . 0 0 "[ . 1 . 2]" 1
823 1 67 LEU HB3 1 67 LEU MD1 . . 3.630 2.579 2.296 2.690 . 0 0 "[ . 1 . 2]" 1
824 1 67 LEU MD1 1 68 LYS H . . 4.880 4.411 3.688 4.923 0.043 10 0 "[ . 1 . 2]" 1
825 1 67 LEU MD2 1 68 LYS H . . 4.660 3.271 1.946 4.153 . 0 0 "[ . 1 . 2]" 1
826 1 67 LEU HG 1 68 LYS HA . . 4.270 3.675 3.025 4.260 . 0 0 "[ . 1 . 2]" 1
827 1 68 LYS H 1 68 LYS HB2 . . 3.270 2.289 2.166 2.632 . 0 0 "[ . 1 . 2]" 1
828 1 68 LYS H 1 68 LYS HB3 . . 3.370 2.927 2.559 3.466 0.096 5 0 "[ . 1 . 2]" 1
829 1 68 LYS H 1 68 LYS HG2 . . 4.720 4.520 4.119 4.658 . 0 0 "[ . 1 . 2]" 1
830 1 68 LYS H 1 68 LYS QG . . 4.080 3.942 3.669 4.057 . 0 0 "[ . 1 . 2]" 1
831 1 68 LYS H 1 68 LYS HG3 . . 4.720 4.353 4.031 4.628 . 0 0 "[ . 1 . 2]" 1
832 1 68 LYS HA 1 68 LYS QD . . 4.150 2.938 2.026 4.096 . 0 0 "[ . 1 . 2]" 1
833 1 68 LYS HA 1 68 LYS QG . . 3.720 2.365 2.134 2.653 . 0 0 "[ . 1 . 2]" 1
834 1 68 LYS HA 1 69 THR H . . 3.120 2.465 2.206 3.211 0.091 15 0 "[ . 1 . 2]" 1
835 1 68 LYS HA 1 69 THR MG . . 4.490 3.786 3.534 4.402 . 0 0 "[ . 1 . 2]" 1
836 1 68 LYS HA 1 70 SER H . . 4.250 4.079 3.884 4.269 0.019 10 0 "[ . 1 . 2]" 1
837 1 68 LYS HB2 1 68 LYS QD . . 3.680 2.368 2.079 3.228 . 0 0 "[ . 1 . 2]" 1
838 1 68 LYS HB2 1 69 THR H . . 4.270 4.165 3.754 4.368 0.098 14 0 "[ . 1 . 2]" 1
839 1 68 LYS HB2 1 70 SER H . . 4.430 4.211 3.482 4.428 . 0 0 "[ . 1 . 2]" 1
840 1 68 LYS HB3 1 68 LYS QD . . 3.910 3.063 2.201 3.441 . 0 0 "[ . 1 . 2]" 1
841 1 68 LYS HB3 1 68 LYS QE . . 4.960 3.758 2.361 4.457 . 0 0 "[ . 1 . 2]" 1
842 1 68 LYS HB3 1 69 THR H . . 3.780 3.474 2.308 3.779 . 0 0 "[ . 1 . 2]" 1
843 1 68 LYS HB3 1 70 SER H . . 3.500 2.630 2.067 2.895 . 0 0 "[ . 1 . 2]" 1
844 1 68 LYS HG2 1 70 SER H . . 4.310 3.683 2.574 4.324 0.014 10 0 "[ . 1 . 2]" 1
845 1 68 LYS HG3 1 70 SER H . . 4.310 3.836 2.771 4.341 0.031 15 0 "[ . 1 . 2]" 1
846 1 69 THR H 1 69 THR MG . . 3.670 2.575 2.273 3.000 . 0 0 "[ . 1 . 2]" 1
847 1 69 THR H 1 70 SER H . . 3.610 2.907 2.256 3.248 . 0 0 "[ . 1 . 2]" 1
848 1 69 THR HA 1 69 THR MG . . 3.270 2.283 2.111 2.382 . 0 0 "[ . 1 . 2]" 1
849 1 69 THR HA 1 70 SER H . . 3.520 2.947 2.786 3.430 . 0 0 "[ . 1 . 2]" 1
850 1 69 THR MG 1 70 SER H . . 4.550 4.335 4.116 4.416 . 0 0 "[ . 1 . 2]" 1
851 1 70 SER H 1 71 CYS H . . 4.410 4.156 3.981 4.372 . 0 0 "[ . 1 . 2]" 1
852 1 70 SER HA 1 71 CYS H . . 3.070 2.197 2.143 2.345 . 0 0 "[ . 1 . 2]" 1
853 1 70 SER QB 1 71 CYS H . . 3.260 3.145 2.596 3.271 0.011 14 0 "[ . 1 . 2]" 1
854 1 71 CYS H 1 71 CYS HG . . 4.320 3.545 2.291 4.337 0.017 6 0 "[ . 1 . 2]" 1
855 1 71 CYS H 1 72 THR HA . . 5.500 4.782 4.643 4.918 . 0 0 "[ . 1 . 2]" 1
856 1 71 CYS HA 1 72 THR H . . 3.020 2.452 2.374 2.500 . 0 0 "[ . 1 . 2]" 1
857 1 71 CYS HA 1 72 THR HB . . 5.280 4.690 4.551 4.833 . 0 0 "[ . 1 . 2]" 1
858 1 71 CYS QB 1 72 THR H . . 3.220 2.436 2.220 3.281 0.061 13 0 "[ . 1 . 2]" 1
859 1 71 CYS HB2 1 72 THR H . . 3.940 2.538 2.239 3.528 . 0 0 "[ . 1 . 2]" 1
860 1 71 CYS HB3 1 72 THR H . . 3.940 3.723 2.297 3.929 . 0 0 "[ . 1 . 2]" 1
861 1 71 CYS HG 1 72 THR H . . 4.880 3.903 2.655 4.838 . 0 0 "[ . 1 . 2]" 1
862 1 72 THR H 1 72 THR HB . . 3.300 2.709 2.577 2.833 . 0 0 "[ . 1 . 2]" 1
863 1 72 THR H 1 72 THR MG . . 4.170 3.885 3.827 3.933 . 0 0 "[ . 1 . 2]" 1
864 1 72 THR H 1 73 VAL H . . 4.500 4.385 4.216 4.482 . 0 0 "[ . 1 . 2]" 1
865 1 72 THR H 1 73 VAL MG2 . . 5.200 4.244 3.758 4.561 . 0 0 "[ . 1 . 2]" 1
866 1 72 THR HA 1 72 THR MG . . 3.320 2.331 2.216 2.455 . 0 0 "[ . 1 . 2]" 1
867 1 72 THR HA 1 73 VAL H . . 2.970 2.181 2.145 2.237 . 0 0 "[ . 1 . 2]" 1
868 1 72 THR HA 1 73 VAL MG2 . . 4.710 3.599 3.364 3.762 . 0 0 "[ . 1 . 2]" 1
869 1 72 THR HB 1 73 VAL H . . 4.190 4.053 3.836 4.178 . 0 0 "[ . 1 . 2]" 1
870 1 72 THR HB 1 73 VAL HA . . 5.500 4.779 4.600 4.928 . 0 0 "[ . 1 . 2]" 1
871 1 72 THR MG 1 73 VAL H . . 3.540 2.360 2.005 2.751 . 0 0 "[ . 1 . 2]" 1
872 1 72 THR MG 1 73 VAL HA . . 3.920 3.783 3.606 3.922 0.002 7 0 "[ . 1 . 2]" 1
873 1 72 THR MG 1 73 VAL HB . . 4.890 4.435 4.172 4.754 . 0 0 "[ . 1 . 2]" 1
874 1 72 THR MG 1 74 THR H . . 4.620 4.230 3.789 4.512 . 0 0 "[ . 1 . 2]" 1
875 1 72 THR MG 1 74 THR MG . . 3.500 3.159 2.734 3.483 . 0 0 "[ . 1 . 2]" 1
876 1 73 VAL H 1 73 VAL HB . . 3.670 2.617 2.538 2.769 . 0 0 "[ . 1 . 2]" 1
877 1 73 VAL H 1 73 VAL MG1 . . 4.320 3.840 3.806 3.907 . 0 0 "[ . 1 . 2]" 1
878 1 73 VAL H 1 73 VAL MG2 . . 3.530 2.702 2.389 2.869 . 0 0 "[ . 1 . 2]" 1
879 1 73 VAL HA 1 73 VAL MG1 . . 3.320 2.403 2.299 2.466 . 0 0 "[ . 1 . 2]" 1
880 1 73 VAL HA 1 73 VAL MG2 . . 3.490 2.363 2.269 2.459 . 0 0 "[ . 1 . 2]" 1
881 1 73 VAL HA 1 74 THR H . . 2.790 2.168 2.139 2.232 . 0 0 "[ . 1 . 2]" 1
882 1 73 VAL HB 1 74 THR H . . 4.740 4.163 3.943 4.402 . 0 0 "[ . 1 . 2]" 1
883 1 73 VAL MG1 1 74 THR H . . 3.530 2.505 1.983 3.013 . 0 0 "[ . 1 . 2]" 1
884 1 73 VAL MG1 1 75 ALA HA . . 4.880 4.457 4.186 4.710 . 0 0 "[ . 1 . 2]" 1
885 1 73 VAL MG1 1 77 GLN H . . 4.360 3.956 3.725 4.148 . 0 0 "[ . 1 . 2]" 1
886 1 73 VAL MG1 1 77 GLN HA . . 5.290 4.742 4.346 5.113 . 0 0 "[ . 1 . 2]" 1
887 1 73 VAL MG1 1 77 GLN HB2 . . 3.700 2.395 1.958 2.696 . 0 0 "[ . 1 . 2]" 1
888 1 73 VAL MG1 1 77 GLN HB3 . . 3.700 3.039 2.431 3.588 . 0 0 "[ . 1 . 2]" 1
889 1 73 VAL MG1 1 77 GLN QG . . 4.390 3.626 2.925 4.203 . 0 0 "[ . 1 . 2]" 1
890 1 73 VAL MG1 1 78 LEU H . . 4.150 3.078 2.683 3.425 . 0 0 "[ . 1 . 2]" 1
891 1 73 VAL MG1 1 78 LEU HA . . 4.640 3.423 2.938 3.883 . 0 0 "[ . 1 . 2]" 1
892 1 73 VAL MG1 1 78 LEU HG . . 3.300 2.159 1.944 2.595 . 0 0 "[ . 1 . 2]" 1
893 1 73 VAL MG1 1 93 PHE QE . . 3.800 3.550 3.101 3.799 . 0 0 "[ . 1 . 2]" 1
894 1 73 VAL MG1 1 93 PHE HZ . . 4.090 3.683 3.020 4.095 0.005 20 0 "[ . 1 . 2]" 1
895 1 73 VAL MG2 1 74 THR H . . 4.170 4.041 3.884 4.170 . 0 0 "[ . 1 . 2]" 1
896 1 73 VAL MG2 1 77 GLN QB . . 4.490 4.122 3.653 4.480 . 0 0 "[ . 1 . 2]" 1
897 1 73 VAL MG2 1 93 PHE QE . . 3.650 2.710 2.118 3.229 . 0 0 "[ . 1 . 2]" 1
898 1 73 VAL MG2 1 93 PHE HZ . . 4.100 3.446 2.618 4.043 . 0 0 "[ . 1 . 2]" 1
899 1 74 THR H 1 74 THR MG . . 3.170 2.587 2.264 2.826 . 0 0 "[ . 1 . 2]" 1
900 1 74 THR H 1 77 GLN H . . 4.250 4.123 3.692 4.248 . 0 0 "[ . 1 . 2]" 1
901 1 74 THR H 1 77 GLN QB . . 3.510 3.227 2.741 3.464 . 0 0 "[ . 1 . 2]" 1
902 1 74 THR HA 1 74 THR MG . . 3.110 2.297 2.155 2.431 . 0 0 "[ . 1 . 2]" 1
903 1 74 THR HA 1 75 ALA H . . 3.160 2.413 2.234 2.555 . 0 0 "[ . 1 . 2]" 1
904 1 74 THR HA 1 75 ALA MB . . 4.270 4.140 4.073 4.258 . 0 0 "[ . 1 . 2]" 1
905 1 74 THR MG 1 75 ALA H . . 3.930 3.620 3.473 3.781 . 0 0 "[ . 1 . 2]" 1
906 1 75 ALA H 1 75 ALA MB . . 3.100 2.124 2.030 2.232 . 0 0 "[ . 1 . 2]" 1
907 1 75 ALA HA 1 77 GLN H . . 5.020 4.274 3.893 4.857 . 0 0 "[ . 1 . 2]" 1
908 1 75 ALA HA 1 78 LEU H . . 3.970 3.253 3.079 3.545 . 0 0 "[ . 1 . 2]" 1
909 1 75 ALA HA 1 78 LEU HB2 . . 4.180 2.183 1.999 2.562 . 0 0 "[ . 1 . 2]" 1
910 1 75 ALA HA 1 78 LEU QB . . 3.360 2.169 1.989 2.540 . 0 0 "[ . 1 . 2]" 1
911 1 75 ALA HA 1 78 LEU HB3 . . 4.180 3.731 3.417 4.176 . 0 0 "[ . 1 . 2]" 1
912 1 75 ALA HA 1 78 LEU MD1 . . 3.580 2.202 2.035 2.560 . 0 0 "[ . 1 . 2]" 1
913 1 75 ALA HA 1 78 LEU HG . . 4.480 3.518 3.010 3.861 . 0 0 "[ . 1 . 2]" 1
914 1 75 ALA HA 1 79 ALA H . . 5.340 4.078 3.636 4.515 . 0 0 "[ . 1 . 2]" 1
915 1 75 ALA MB 1 76 GLY QA . . 4.020 3.452 3.343 3.524 . 0 0 "[ . 1 . 2]" 1
916 1 75 ALA MB 1 78 LEU H . . 5.040 4.460 4.318 4.649 . 0 0 "[ . 1 . 2]" 1
917 1 75 ALA MB 1 78 LEU MD1 . . 4.120 3.272 2.968 3.547 . 0 0 "[ . 1 . 2]" 1
918 1 76 GLY QA 1 79 ALA MB . . 4.160 3.221 2.783 3.630 . 0 0 "[ . 1 . 2]" 1
919 1 77 GLN H 1 77 GLN HB2 . . 3.670 2.380 2.203 2.557 . 0 0 "[ . 1 . 2]" 1
920 1 77 GLN H 1 77 GLN QB . . 3.030 2.346 2.181 2.505 . 0 0 "[ . 1 . 2]" 1
921 1 77 GLN H 1 77 GLN HB3 . . 3.670 3.578 3.505 3.613 . 0 0 "[ . 1 . 2]" 1
922 1 77 GLN H 1 77 GLN HG2 . . 4.140 3.035 2.088 4.125 . 0 0 "[ . 1 . 2]" 1
923 1 77 GLN H 1 77 GLN QG . . 3.620 2.482 2.065 2.867 . 0 0 "[ . 1 . 2]" 1
924 1 77 GLN H 1 77 GLN HG3 . . 4.140 3.100 2.416 3.811 . 0 0 "[ . 1 . 2]" 1
925 1 77 GLN H 1 78 LEU H . . 3.390 2.561 2.426 2.738 . 0 0 "[ . 1 . 2]" 1
926 1 77 GLN HA 1 77 GLN HG2 . . 3.830 2.625 2.279 2.884 . 0 0 "[ . 1 . 2]" 1
927 1 77 GLN HA 1 77 GLN QG . . 3.250 2.523 2.234 2.800 . 0 0 "[ . 1 . 2]" 1
928 1 77 GLN HA 1 77 GLN HG3 . . 3.830 3.384 2.550 3.818 . 0 0 "[ . 1 . 2]" 1
929 1 77 GLN HA 1 80 ASN H . . 4.350 3.506 3.358 3.837 . 0 0 "[ . 1 . 2]" 1
930 1 77 GLN QB 1 78 LEU H . . 3.600 2.521 2.367 2.653 . 0 0 "[ . 1 . 2]" 1
931 1 77 GLN HB2 1 78 LEU H . . 4.350 2.590 2.404 2.765 . 0 0 "[ . 1 . 2]" 1
932 1 77 GLN HB3 1 78 LEU H . . 4.350 3.490 3.295 3.709 . 0 0 "[ . 1 . 2]" 1
933 1 77 GLN QG 1 78 LEU H . . 4.470 4.110 3.872 4.352 . 0 0 "[ . 1 . 2]" 1
934 1 78 LEU H 1 78 LEU HB2 . . 3.770 2.291 2.207 2.367 . 0 0 "[ . 1 . 2]" 1
935 1 78 LEU H 1 78 LEU QB . . 3.030 2.264 2.185 2.335 . 0 0 "[ . 1 . 2]" 1
936 1 78 LEU H 1 78 LEU HB3 . . 3.770 3.548 3.509 3.574 . 0 0 "[ . 1 . 2]" 1
937 1 78 LEU H 1 78 LEU HG . . 3.730 2.666 2.461 2.865 . 0 0 "[ . 1 . 2]" 1
938 1 78 LEU H 1 79 ALA H . . 3.690 2.860 2.672 3.050 . 0 0 "[ . 1 . 2]" 1
939 1 78 LEU H 1 79 ALA MB . . 5.380 4.430 4.254 4.596 . 0 0 "[ . 1 . 2]" 1
940 1 78 LEU HA 1 78 LEU MD2 . . 3.090 2.062 1.965 2.271 . 0 0 "[ . 1 . 2]" 1
941 1 78 LEU HA 1 78 LEU HG . . 4.230 2.748 2.604 2.894 . 0 0 "[ . 1 . 2]" 1
942 1 78 LEU HA 1 79 ALA MB . . 5.190 4.995 4.951 5.022 . 0 0 "[ . 1 . 2]" 1
943 1 78 LEU HA 1 80 ASN H . . 4.500 4.079 3.424 4.271 . 0 0 "[ . 1 . 2]" 1
944 1 78 LEU HA 1 81 ALA H . . 4.020 3.135 2.993 3.538 . 0 0 "[ . 1 . 2]" 1
945 1 78 LEU HA 1 81 ALA MB . . 3.690 2.239 1.969 2.671 . 0 0 "[ . 1 . 2]" 1
946 1 78 LEU HA 1 91 ILE MD . . 4.650 4.262 3.860 4.568 . 0 0 "[ . 1 . 2]" 1
947 1 78 LEU QB 1 78 LEU MD2 . . 3.180 2.265 2.175 2.307 . 0 0 "[ . 1 . 2]" 1
948 1 78 LEU QB 1 79 ALA H . . 3.430 2.623 2.410 2.859 . 0 0 "[ . 1 . 2]" 1
949 1 78 LEU HB2 1 78 LEU MD1 . . 3.420 2.214 2.056 2.342 . 0 0 "[ . 1 . 2]" 1
950 1 78 LEU HB2 1 79 ALA H . . 4.100 2.743 2.513 2.991 . 0 0 "[ . 1 . 2]" 1
951 1 78 LEU HB3 1 78 LEU MD1 . . 3.420 2.457 2.352 2.593 . 0 0 "[ . 1 . 2]" 1
952 1 78 LEU HB3 1 79 ALA H . . 4.100 3.343 3.099 3.633 . 0 0 "[ . 1 . 2]" 1
953 1 78 LEU MD1 1 79 ALA H . . 5.070 4.538 4.374 4.727 . 0 0 "[ . 1 . 2]" 1
954 1 78 LEU MD1 1 111 TRP HH2 . . 5.070 4.983 4.586 5.078 0.008 13 0 "[ . 1 . 2]" 1
955 1 78 LEU MD1 1 111 TRP HZ3 . . 4.050 3.870 3.498 4.047 . 0 0 "[ . 1 . 2]" 1
956 1 78 LEU MD2 1 79 ALA H . . 5.490 4.663 4.559 4.841 . 0 0 "[ . 1 . 2]" 1
957 1 78 LEU MD2 1 81 ALA H . . 4.470 4.391 4.123 4.473 0.003 17 0 "[ . 1 . 2]" 1
958 1 78 LEU MD2 1 81 ALA MB . . 3.480 2.650 2.519 2.812 . 0 0 "[ . 1 . 2]" 1
959 1 78 LEU MD2 1 93 PHE QE . . 3.900 3.809 3.640 3.906 0.006 16 0 "[ . 1 . 2]" 1
960 1 78 LEU MD2 1 93 PHE HZ . . 3.630 2.989 2.679 3.382 . 0 0 "[ . 1 . 2]" 1
961 1 78 LEU MD2 1 111 TRP HZ3 . . 3.910 3.681 3.411 3.876 . 0 0 "[ . 1 . 2]" 1
962 1 79 ALA H 1 79 ALA MB . . 2.810 2.138 2.025 2.239 . 0 0 "[ . 1 . 2]" 1
963 1 79 ALA H 1 80 ASN H . . 3.620 2.816 2.654 2.895 . 0 0 "[ . 1 . 2]" 1
964 1 79 ALA HA 1 81 ALA H . . 4.190 4.079 3.697 4.195 0.005 18 0 "[ . 1 . 2]" 1
965 1 79 ALA MB 1 80 ASN H . . 3.510 2.674 2.486 3.088 . 0 0 "[ . 1 . 2]" 1
966 1 79 ALA MB 1 80 ASN HA . . 4.550 3.823 3.724 4.010 . 0 0 "[ . 1 . 2]" 1
967 1 79 ALA MB 1 80 ASN QB . . 4.610 4.252 3.788 4.559 . 0 0 "[ . 1 . 2]" 1
968 1 80 ASN H 1 80 ASN HB2 . . 3.980 2.690 2.228 3.610 . 0 0 "[ . 1 . 2]" 1
969 1 80 ASN H 1 80 ASN QB . . 3.280 2.509 2.205 2.974 . 0 0 "[ . 1 . 2]" 1
970 1 80 ASN H 1 80 ASN HB3 . . 3.980 3.476 2.524 3.679 . 0 0 "[ . 1 . 2]" 1
971 1 80 ASN HA 1 81 ALA MB . . 5.070 4.936 4.717 4.983 . 0 0 "[ . 1 . 2]" 1
972 1 80 ASN QB 1 81 ALA H . . 4.220 3.076 2.833 3.942 . 0 0 "[ . 1 . 2]" 1
973 1 80 ASN QB 1 81 ALA MB . . 5.210 4.198 3.877 4.792 . 0 0 "[ . 1 . 2]" 1
974 1 80 ASN QD 1 81 ALA H . . 4.940 4.467 3.838 4.935 . 0 0 "[ . 1 . 2]" 1
975 1 81 ALA H 1 81 ALA MB . . 2.890 2.131 2.028 2.232 . 0 0 "[ . 1 . 2]" 1
976 1 81 ALA H 1 82 HIS H . . 4.630 4.545 4.384 4.627 . 0 0 "[ . 1 . 2]" 1
977 1 81 ALA HA 1 82 HIS H . . 3.500 2.173 2.141 2.236 . 0 0 "[ . 1 . 2]" 1
978 1 81 ALA MB 1 82 HIS H . . 3.910 3.082 2.823 3.395 . 0 0 "[ . 1 . 2]" 1
979 1 81 ALA MB 1 91 ILE MD . . 3.420 3.277 2.927 3.440 0.020 11 0 "[ . 1 . 2]" 1
980 1 81 ALA MB 1 91 ILE MG . . 3.300 2.606 2.185 3.086 . 0 0 "[ . 1 . 2]" 1
981 1 82 HIS H 1 82 HIS QB . . 3.670 2.247 2.164 2.487 . 0 0 "[ . 1 . 2]" 1
982 1 82 HIS HA 1 83 ILE H . . 3.200 2.173 2.140 2.249 . 0 0 "[ . 1 . 2]" 1
983 1 82 HIS HD2 1 92 VAL MG2 . . 4.640 3.932 2.903 4.642 0.002 10 0 "[ . 1 . 2]" 1
984 1 83 ILE H 1 83 ILE HB . . 3.520 2.526 2.412 2.698 . 0 0 "[ . 1 . 2]" 1
985 1 83 ILE H 1 83 ILE MD . . 4.420 3.528 1.878 4.069 . 0 0 "[ . 1 . 2]" 1
986 1 83 ILE H 1 83 ILE HG12 . . 4.140 3.293 2.233 4.073 . 0 0 "[ . 1 . 2]" 1
987 1 83 ILE H 1 83 ILE HG13 . . 4.140 3.125 2.207 4.093 . 0 0 "[ . 1 . 2]" 1
988 1 83 ILE H 1 83 ILE MG . . 4.390 3.794 3.743 3.870 . 0 0 "[ . 1 . 2]" 1
989 1 83 ILE HA 1 83 ILE MD . . 3.850 3.067 1.963 3.855 0.005 6 0 "[ . 1 . 2]" 1
990 1 83 ILE HA 1 83 ILE QG . . 3.730 2.616 2.293 3.073 . 0 0 "[ . 1 . 2]" 1
991 1 83 ILE HA 1 83 ILE MG . . 3.430 2.376 2.288 2.451 . 0 0 "[ . 1 . 2]" 1
992 1 83 ILE HA 1 84 ASP H . . 3.340 2.162 2.138 2.204 . 0 0 "[ . 1 . 2]" 1
993 1 83 ILE HA 1 84 ASP HA . . 4.540 4.389 4.354 4.451 . 0 0 "[ . 1 . 2]" 1
994 1 83 ILE HB 1 83 ILE MD . . 3.370 2.713 2.227 3.231 . 0 0 "[ . 1 . 2]" 1
995 1 83 ILE HB 1 85 TYR QE . . 3.550 3.082 2.317 3.545 . 0 0 "[ . 1 . 2]" 1
996 1 83 ILE MD 1 83 ILE MG . . 3.070 2.080 1.915 3.115 0.045 14 0 "[ . 1 . 2]" 1
997 1 83 ILE MD 1 84 ASP H . . 5.190 4.534 3.477 5.215 0.025 19 0 "[ . 1 . 2]" 1
998 1 83 ILE MD 1 85 TYR QE . . 4.950 4.036 2.903 5.028 0.078 11 0 "[ . 1 . 2]" 1
999 1 83 ILE MD 1 91 ILE HG12 . . 4.240 2.981 1.898 4.244 0.004 15 0 "[ . 1 . 2]" 1
1000 1 83 ILE MD 1 91 ILE QG . . 3.600 2.763 1.870 3.580 . 0 0 "[ . 1 . 2]" 1
1001 1 83 ILE MD 1 91 ILE HG13 . . 4.240 3.423 2.499 4.230 . 0 0 "[ . 1 . 2]" 1
1002 1 83 ILE MD 1 113 GLN QG . . 3.840 3.391 2.311 3.831 . 0 0 "[ . 1 . 2]" 1
1003 1 83 ILE HG12 1 83 ILE MG . . 3.710 2.661 2.117 3.202 . 0 0 "[ . 1 . 2]" 1
1004 1 83 ILE HG13 1 83 ILE MG . . 3.710 2.817 2.150 3.200 . 0 0 "[ . 1 . 2]" 1
1005 1 83 ILE MG 1 84 ASP H . . 3.840 2.619 2.066 3.273 . 0 0 "[ . 1 . 2]" 1
1006 1 83 ILE MG 1 84 ASP HA . . 4.850 4.011 3.799 4.263 . 0 0 "[ . 1 . 2]" 1
1007 1 83 ILE MG 1 85 TYR HA . . 5.170 3.696 3.468 4.042 . 0 0 "[ . 1 . 2]" 1
1008 1 83 ILE MG 1 85 TYR QD . . 4.540 3.318 2.623 3.699 . 0 0 "[ . 1 . 2]" 1
1009 1 83 ILE MG 1 85 TYR QE . . 3.870 2.939 2.406 3.476 . 0 0 "[ . 1 . 2]" 1
1010 1 83 ILE MG 1 89 PRO HA . . 3.960 2.671 2.141 3.129 . 0 0 "[ . 1 . 2]" 1
1011 1 83 ILE MG 1 89 PRO QB . . 3.400 3.032 2.561 3.451 0.051 11 0 "[ . 1 . 2]" 1
1012 1 83 ILE MG 1 90 ALA H . . 3.690 2.856 2.237 3.440 . 0 0 "[ . 1 . 2]" 1
1013 1 83 ILE MG 1 113 GLN QG . . 4.640 3.935 2.878 4.643 0.003 7 0 "[ . 1 . 2]" 1
1014 1 84 ASP H 1 84 ASP HB2 . . 3.990 2.663 2.185 3.540 . 0 0 "[ . 1 . 2]" 1
1015 1 84 ASP H 1 84 ASP HB3 . . 3.990 2.773 2.256 3.557 . 0 0 "[ . 1 . 2]" 1
1016 1 84 ASP H 1 90 ALA H . . 4.040 3.564 3.032 4.058 0.018 10 0 "[ . 1 . 2]" 1
1017 1 84 ASP HA 1 85 TYR H . . 3.030 2.183 2.140 2.218 . 0 0 "[ . 1 . 2]" 1
1018 1 84 ASP QB 1 90 ALA H . . 4.270 3.659 3.136 4.253 . 0 0 "[ . 1 . 2]" 1
1019 1 84 ASP QB 1 90 ALA MB . . 4.330 4.199 3.689 4.341 0.011 17 0 "[ . 1 . 2]" 1
1020 1 84 ASP QB 1 92 VAL MG2 . . 3.550 2.871 1.985 3.386 . 0 0 "[ . 1 . 2]" 1
1021 1 84 ASP HB2 1 92 VAL MG2 . . 4.040 3.145 2.113 3.955 . 0 0 "[ . 1 . 2]" 1
1022 1 84 ASP HB3 1 92 VAL MG2 . . 4.040 3.538 2.147 4.034 . 0 0 "[ . 1 . 2]" 1
1023 1 85 TYR H 1 85 TYR HB2 . . 3.820 2.317 2.193 2.530 . 0 0 "[ . 1 . 2]" 1
1024 1 85 TYR H 1 85 TYR QB . . 3.190 2.289 2.172 2.490 . 0 0 "[ . 1 . 2]" 1
1025 1 85 TYR H 1 85 TYR HB3 . . 3.820 3.577 3.495 3.713 . 0 0 "[ . 1 . 2]" 1
1026 1 85 TYR H 1 85 TYR QD . . 3.930 3.279 2.988 3.628 . 0 0 "[ . 1 . 2]" 1
1027 1 85 TYR H 1 86 THR H . . 3.620 2.781 2.367 3.145 . 0 0 "[ . 1 . 2]" 1
1028 1 85 TYR HA 1 85 TYR QD . . 3.680 2.376 2.098 2.698 . 0 0 "[ . 1 . 2]" 1
1029 1 85 TYR HA 1 90 ALA H . . 5.230 4.499 3.614 5.201 . 0 0 "[ . 1 . 2]" 1
1030 1 85 TYR QB 1 86 THR H . . 4.380 3.642 2.802 3.869 . 0 0 "[ . 1 . 2]" 1
1031 1 85 TYR QD 1 89 PRO QB . . 4.270 2.307 2.148 2.930 . 0 0 "[ . 1 . 2]" 1
1032 1 85 TYR QD 1 89 PRO HG2 . . 5.040 4.983 4.860 5.054 0.014 9 0 "[ . 1 . 2]" 1
1033 1 85 TYR QD 1 89 PRO HG3 . . 3.920 3.892 3.534 3.968 0.048 16 0 "[ . 1 . 2]" 1
1034 1 85 TYR QE 1 89 PRO QB . . 4.360 2.032 1.951 2.811 . 0 0 "[ . 1 . 2]" 1
1035 1 85 TYR QE 1 89 PRO HG2 . . 4.860 4.645 4.412 4.867 0.007 6 0 "[ . 1 . 2]" 1
1036 1 85 TYR QE 1 89 PRO HG3 . . 3.890 3.673 3.332 3.896 0.006 18 0 "[ . 1 . 2]" 1
1037 1 86 THR H 1 86 THR HB . . 3.720 3.039 2.485 3.699 . 0 0 "[ . 1 . 2]" 1
1038 1 86 THR H 1 86 THR MG . . 3.780 3.050 1.962 3.789 0.009 12 0 "[ . 1 . 2]" 1
1039 1 86 THR H 1 87 SER H . . 4.360 3.133 1.984 4.156 . 0 0 "[ . 1 . 2]" 1
1040 1 86 THR HA 1 86 THR MG . . 3.180 2.438 2.217 3.195 0.015 3 0 "[ . 1 . 2]" 1
1041 1 87 SER HB2 1 88 ARG H . . 5.300 3.409 2.262 4.485 . 0 0 "[ . 1 . 2]" 1
1042 1 87 SER HB3 1 88 ARG H . . 5.300 3.649 2.237 4.495 . 0 0 "[ . 1 . 2]" 1
1043 1 88 ARG HA 1 88 ARG QD . . 4.370 4.060 3.729 4.256 . 0 0 "[ . 1 . 2]" 1
1044 1 88 ARG HA 1 88 ARG HG2 . . 4.230 2.900 2.608 3.165 . 0 0 "[ . 1 . 2]" 1
1045 1 88 ARG HA 1 88 ARG QG . . 3.570 2.319 2.138 2.541 . 0 0 "[ . 1 . 2]" 1
1046 1 88 ARG HA 1 88 ARG HG3 . . 4.230 2.460 2.174 2.735 . 0 0 "[ . 1 . 2]" 1
1047 1 88 ARG HA 1 89 PRO HD2 . . 3.310 2.017 1.915 2.192 . 0 0 "[ . 1 . 2]" 1
1048 1 88 ARG HA 1 89 PRO QD . . 2.870 1.896 1.851 1.979 . 0 0 "[ . 1 . 2]" 1
1049 1 88 ARG HA 1 89 PRO HD3 . . 3.310 2.344 2.253 2.455 . 0 0 "[ . 1 . 2]" 1
1050 1 88 ARG HA 1 89 PRO HG2 . . 4.530 4.205 4.121 4.345 . 0 0 "[ . 1 . 2]" 1
1051 1 88 ARG HA 1 89 PRO HG3 . . 4.640 4.342 4.316 4.365 . 0 0 "[ . 1 . 2]" 1
1052 1 88 ARG QB 1 88 ARG QD . . 3.290 2.205 2.013 2.384 . 0 0 "[ . 1 . 2]" 1
1053 1 88 ARG QB 1 89 PRO QD . . 3.970 3.406 2.757 3.683 . 0 0 "[ . 1 . 2]" 1
1054 1 88 ARG QB 1 112 LEU MD1 . . 4.770 4.403 3.513 4.780 0.010 13 0 "[ . 1 . 2]" 1
1055 1 88 ARG HB2 1 112 LEU MD2 . . 4.210 3.988 3.308 4.235 0.025 11 0 "[ . 1 . 2]" 1
1056 1 88 ARG HB3 1 112 LEU MD2 . . 4.210 3.266 2.122 4.227 0.017 18 0 "[ . 1 . 2]" 1
1057 1 88 ARG QD 1 112 LEU MD1 . . 3.600 2.716 2.014 3.629 0.029 18 0 "[ . 1 . 2]" 1
1058 1 88 ARG QD 1 112 LEU MD2 . . 3.770 2.464 1.837 3.559 . 0 0 "[ . 1 . 2]" 1
1059 1 88 ARG QG 1 89 PRO QD . . 3.660 2.528 1.822 3.086 . 0 0 "[ . 1 . 2]" 1
1060 1 88 ARG QG 1 112 LEU MD2 . . 4.310 2.093 1.710 3.264 . 0 0 "[ . 1 . 2]" 1
1061 1 88 ARG HG2 1 89 PRO HD2 . . 4.740 2.929 2.045 3.540 . 0 0 "[ . 1 . 2]" 1
1062 1 88 ARG HG2 1 89 PRO HD3 . . 4.740 4.350 3.685 4.815 0.075 20 0 "[ . 1 . 2]" 1
1063 1 88 ARG HG3 1 89 PRO HD2 . . 4.740 2.975 1.997 3.963 . 0 0 "[ . 1 . 2]" 1
1064 1 88 ARG HG3 1 89 PRO HD3 . . 4.740 4.258 3.374 4.775 0.035 18 0 "[ . 1 . 2]" 1
1065 1 89 PRO HA 1 90 ALA H . . 2.890 2.298 2.250 2.397 . 0 0 "[ . 1 . 2]" 1
1066 1 89 PRO HA 1 90 ALA MB . . 4.330 4.243 4.175 4.337 0.007 15 0 "[ . 1 . 2]" 1
1067 1 89 PRO QB 1 90 ALA H . . 3.920 3.806 3.748 3.896 . 0 0 "[ . 1 . 2]" 1
1068 1 90 ALA H 1 90 ALA MB . . 3.360 2.601 2.534 2.662 . 0 0 "[ . 1 . 2]" 1
1069 1 90 ALA H 1 91 ILE H . . 5.020 4.421 4.373 4.464 . 0 0 "[ . 1 . 2]" 1
1070 1 90 ALA H 1 91 ILE HA . . 5.500 4.808 4.740 4.948 . 0 0 "[ . 1 . 2]" 1
1071 1 90 ALA HA 1 91 ILE H . . 3.230 2.394 2.251 2.509 . 0 0 "[ . 1 . 2]" 1
1072 1 90 ALA HA 1 112 LEU HA . . 3.790 2.446 1.995 3.016 . 0 0 "[ . 1 . 2]" 1
1073 1 90 ALA HA 1 112 LEU MD2 . . 4.080 3.406 3.063 3.781 . 0 0 "[ . 1 . 2]" 1
1074 1 90 ALA HA 1 113 GLN H . . 3.570 2.632 1.898 3.344 . 0 0 "[ . 1 . 2]" 1
1075 1 90 ALA HA 1 113 GLN QG . . 5.100 3.449 2.561 4.868 . 0 0 "[ . 1 . 2]" 1
1076 1 90 ALA MB 1 91 ILE H . . 3.490 2.455 2.242 2.850 . 0 0 "[ . 1 . 2]" 1
1077 1 90 ALA MB 1 110 ARG HA . . 3.740 3.262 2.839 3.748 0.008 20 0 "[ . 1 . 2]" 1
1078 1 90 ALA MB 1 110 ARG HB2 . . 4.180 3.746 3.336 4.144 . 0 0 "[ . 1 . 2]" 1
1079 1 90 ALA MB 1 110 ARG HB3 . . 3.260 2.329 1.921 3.280 0.020 20 0 "[ . 1 . 2]" 1
1080 1 90 ALA MB 1 110 ARG QD . . 4.480 3.445 1.956 4.485 0.005 10 0 "[ . 1 . 2]" 1
1081 1 90 ALA MB 1 110 ARG QG . . 3.500 3.035 1.768 3.401 . 0 0 "[ . 1 . 2]" 1
1082 1 90 ALA MB 1 111 TRP H . . 3.800 2.944 2.299 3.619 . 0 0 "[ . 1 . 2]" 1
1083 1 90 ALA MB 1 112 LEU H . . 4.860 3.249 2.655 3.722 . 0 0 "[ . 1 . 2]" 1
1084 1 90 ALA MB 1 112 LEU HA . . 3.530 2.222 1.975 2.674 . 0 0 "[ . 1 . 2]" 1
1085 1 90 ALA MB 1 112 LEU MD2 . . 3.120 2.195 1.854 3.010 . 0 0 "[ . 1 . 2]" 1
1086 1 90 ALA MB 1 113 GLN H . . 4.030 3.621 3.177 4.025 . 0 0 "[ . 1 . 2]" 1
1087 1 91 ILE H 1 91 ILE HB . . 3.640 2.482 2.403 2.571 . 0 0 "[ . 1 . 2]" 1
1088 1 91 ILE H 1 91 ILE MG . . 4.300 3.774 3.701 3.810 . 0 0 "[ . 1 . 2]" 1
1089 1 91 ILE H 1 111 TRP H . . 4.060 2.817 2.114 3.532 . 0 0 "[ . 1 . 2]" 1
1090 1 91 ILE H 1 113 GLN H . . 5.370 4.104 2.958 5.081 . 0 0 "[ . 1 . 2]" 1
1091 1 91 ILE H 1 113 GLN QG . . 5.290 4.139 3.417 5.286 . 0 0 "[ . 1 . 2]" 1
1092 1 91 ILE HA 1 91 ILE HG12 . . 2.500 2.555 2.449 2.845 0.345 15 0 "[ . 1 . 2]" 1
1093 1 91 ILE HA 1 91 ILE HG13 . . 3.000 2.904 2.471 3.021 0.021 17 0 "[ . 1 . 2]" 1
1094 1 91 ILE HA 1 92 VAL MG2 . . 4.090 3.648 3.436 3.798 . 0 0 "[ . 1 . 2]" 1
1095 1 91 ILE HB 1 91 ILE MD . . 3.380 2.315 2.082 2.441 . 0 0 "[ . 1 . 2]" 1
1096 1 91 ILE HB 1 93 PHE QE . . 4.660 2.787 2.197 3.523 . 0 0 "[ . 1 . 2]" 1
1097 1 91 ILE HB 1 111 TRP HB2 . . 4.430 3.925 3.210 4.433 0.003 12 0 "[ . 1 . 2]" 1
1098 1 91 ILE HB 1 111 TRP QB . . 3.880 2.470 2.114 2.839 . 0 0 "[ . 1 . 2]" 1
1099 1 91 ILE HB 1 111 TRP HB3 . . 4.430 2.497 2.136 2.873 . 0 0 "[ . 1 . 2]" 1
1100 1 91 ILE HB 1 111 TRP HE3 . . 4.090 2.866 2.494 3.282 . 0 0 "[ . 1 . 2]" 1
1101 1 91 ILE MD 1 91 ILE MG . . 2.920 2.168 1.927 2.541 . 0 0 "[ . 1 . 2]" 1
1102 1 91 ILE MD 1 93 PHE QE . . 3.940 3.125 2.709 3.784 . 0 0 "[ . 1 . 2]" 1
1103 1 91 ILE MD 1 93 PHE HZ . . 4.240 3.388 2.771 4.236 . 0 0 "[ . 1 . 2]" 1
1104 1 91 ILE MD 1 111 TRP H . . 5.500 5.118 4.746 5.495 . 0 0 "[ . 1 . 2]" 1
1105 1 91 ILE MD 1 111 TRP QB . . 4.500 3.512 3.188 3.953 . 0 0 "[ . 1 . 2]" 1
1106 1 91 ILE MD 1 111 TRP HE3 . . 3.830 2.182 1.941 2.691 . 0 0 "[ . 1 . 2]" 1
1107 1 91 ILE MD 1 111 TRP HZ3 . . 4.170 2.790 2.399 3.416 . 0 0 "[ . 1 . 2]" 1
1108 1 91 ILE MG 1 92 VAL H . . 3.980 2.461 2.150 2.916 . 0 0 "[ . 1 . 2]" 1
1109 1 91 ILE MG 1 92 VAL HB . . 5.050 4.196 3.967 4.551 . 0 0 "[ . 1 . 2]" 1
1110 1 91 ILE MG 1 93 PHE QD . . 4.290 3.079 2.453 3.410 . 0 0 "[ . 1 . 2]" 1
1111 1 91 ILE MG 1 93 PHE QE . . 3.800 2.419 2.067 2.861 . 0 0 "[ . 1 . 2]" 1
1112 1 91 ILE MG 1 93 PHE HZ . . 4.280 2.733 2.226 3.235 . 0 0 "[ . 1 . 2]" 1
1113 1 91 ILE MG 1 111 TRP QB . . 4.520 3.675 3.278 4.066 . 0 0 "[ . 1 . 2]" 1
1114 1 91 ILE MG 1 111 TRP HE3 . . 4.000 3.841 3.555 4.011 0.011 16 0 "[ . 1 . 2]" 1
1115 1 92 VAL H 1 92 VAL HB . . 3.880 2.516 2.446 2.596 . 0 0 "[ . 1 . 2]" 1
1116 1 92 VAL H 1 92 VAL MG2 . . 3.840 2.498 2.263 2.695 . 0 0 "[ . 1 . 2]" 1
1117 1 92 VAL HA 1 92 VAL MG1 . . 3.480 2.379 2.307 2.473 . 0 0 "[ . 1 . 2]" 1
1118 1 92 VAL HA 1 92 VAL MG2 . . 3.530 2.343 2.245 2.439 . 0 0 "[ . 1 . 2]" 1
1119 1 92 VAL HA 1 93 PHE H . . 3.040 2.169 2.140 2.217 . 0 0 "[ . 1 . 2]" 1
1120 1 92 VAL HA 1 110 ARG HA . . 4.370 2.893 2.334 3.253 . 0 0 "[ . 1 . 2]" 1
1121 1 92 VAL MG1 1 93 PHE H . . 3.550 2.626 2.009 3.197 . 0 0 "[ . 1 . 2]" 1
1122 1 92 VAL MG1 1 108 GLN QB . . 4.490 3.773 3.502 4.379 . 0 0 "[ . 1 . 2]" 1
1123 1 92 VAL MG1 1 108 GLN HE21 . . 4.750 2.661 1.883 4.399 . 0 0 "[ . 1 . 2]" 1
1124 1 92 VAL MG1 1 108 GLN QE . . 4.080 2.535 1.873 4.055 . 0 0 "[ . 1 . 2]" 1
1125 1 92 VAL MG1 1 108 GLN HE22 . . 4.750 3.431 2.617 4.751 0.001 19 0 "[ . 1 . 2]" 1
1126 1 92 VAL MG1 1 108 GLN HG2 . . 3.750 2.549 1.966 3.108 . 0 0 "[ . 1 . 2]" 1
1127 1 92 VAL MG1 1 108 GLN QG . . 3.280 2.056 1.834 2.626 . 0 0 "[ . 1 . 2]" 1
1128 1 92 VAL MG1 1 108 GLN HG3 . . 3.750 2.262 1.920 2.835 . 0 0 "[ . 1 . 2]" 1
1129 1 92 VAL MG1 1 109 ILE H . . 4.350 3.444 3.093 3.818 . 0 0 "[ . 1 . 2]" 1
1130 1 92 VAL MG2 1 108 GLN QE . . 5.340 3.169 2.098 4.749 . 0 0 "[ . 1 . 2]" 1
1131 1 92 VAL MG2 1 110 ARG HA . . 4.090 3.518 3.196 3.799 . 0 0 "[ . 1 . 2]" 1
1132 1 92 VAL MG2 1 110 ARG HB3 . . 4.570 4.437 4.022 4.580 0.010 20 0 "[ . 1 . 2]" 1
1133 1 92 VAL MG2 1 110 ARG QG . . 3.520 2.432 2.002 2.839 . 0 0 "[ . 1 . 2]" 1
1134 1 92 VAL MG2 1 111 TRP H . . 5.500 4.720 4.163 5.128 . 0 0 "[ . 1 . 2]" 1
1135 1 93 PHE H 1 93 PHE HB2 . . 3.890 2.471 2.280 2.679 . 0 0 "[ . 1 . 2]" 1
1136 1 93 PHE H 1 93 PHE HB3 . . 4.100 3.656 3.519 3.788 . 0 0 "[ . 1 . 2]" 1
1137 1 93 PHE H 1 93 PHE QD . . 4.050 3.299 2.672 3.655 . 0 0 "[ . 1 . 2]" 1
1138 1 93 PHE H 1 108 GLN HG2 . . 5.120 4.159 3.196 5.124 0.004 1 0 "[ . 1 . 2]" 1
1139 1 93 PHE H 1 108 GLN QG . . 4.500 3.677 3.016 4.443 . 0 0 "[ . 1 . 2]" 1
1140 1 93 PHE H 1 108 GLN HG3 . . 5.120 4.314 3.308 5.112 . 0 0 "[ . 1 . 2]" 1
1141 1 93 PHE H 1 109 ILE H . . 3.850 2.804 2.513 3.175 . 0 0 "[ . 1 . 2]" 1
1142 1 93 PHE H 1 109 ILE MG . . 4.290 2.595 2.064 3.009 . 0 0 "[ . 1 . 2]" 1
1143 1 93 PHE H 1 110 ARG HA . . 4.410 3.993 3.511 4.410 . 17 0 "[ . 1 . 2]" 1
1144 1 93 PHE HA 1 93 PHE QD . . 3.830 2.652 2.201 2.933 . 0 0 "[ . 1 . 2]" 1
1145 1 93 PHE HA 1 94 ARG H . . 3.100 2.417 2.173 2.553 . 0 0 "[ . 1 . 2]" 1
1146 1 93 PHE HB2 1 94 ARG H . . 4.500 3.775 3.434 4.328 . 0 0 "[ . 1 . 2]" 1
1147 1 93 PHE HB2 1 109 ILE HB . . 4.550 4.509 4.335 4.565 0.015 10 0 "[ . 1 . 2]" 1
1148 1 93 PHE HB2 1 109 ILE MD . . 4.900 4.607 4.175 4.904 0.004 15 0 "[ . 1 . 2]" 1
1149 1 93 PHE HB2 1 109 ILE MG . . 3.560 1.893 1.819 1.945 . 0 0 "[ . 1 . 2]" 1
1150 1 93 PHE HB3 1 94 ARG H . . 3.570 2.447 2.112 3.243 . 0 0 "[ . 1 . 2]" 1
1151 1 93 PHE HB3 1 109 ILE MG . . 3.890 2.992 2.619 3.218 . 0 0 "[ . 1 . 2]" 1
1152 1 93 PHE QD 1 94 ARG H . . 4.370 3.143 2.736 3.416 . 0 0 "[ . 1 . 2]" 1
1153 1 93 PHE QD 1 109 ILE MG . . 3.640 2.720 2.486 2.991 . 0 0 "[ . 1 . 2]" 1
1154 1 93 PHE QD 1 111 TRP QB . . 4.560 3.093 2.740 3.520 . 0 0 "[ . 1 . 2]" 1
1155 1 93 PHE QE 1 111 TRP HB2 . . 4.250 3.458 2.656 4.147 . 0 0 "[ . 1 . 2]" 1
1156 1 93 PHE QE 1 111 TRP HB3 . . 4.250 3.008 2.227 3.807 . 0 0 "[ . 1 . 2]" 1
1157 1 93 PHE QE 1 111 TRP HE3 . . 4.200 3.248 2.865 3.882 . 0 0 "[ . 1 . 2]" 1
1158 1 94 ARG H 1 94 ARG HB2 . . 4.040 2.759 2.457 3.158 . 0 0 "[ . 1 . 2]" 1
1159 1 94 ARG H 1 94 ARG QB . . 3.480 2.651 2.418 2.840 . 0 0 "[ . 1 . 2]" 1
1160 1 94 ARG H 1 94 ARG HB3 . . 4.040 3.584 2.781 3.811 . 0 0 "[ . 1 . 2]" 1
1161 1 94 ARG H 1 94 ARG QG . . 4.220 3.722 3.376 4.245 0.025 4 0 "[ . 1 . 2]" 1
1162 1 94 ARG HA 1 94 ARG QG . . 3.890 2.347 2.131 2.587 . 0 0 "[ . 1 . 2]" 1
1163 1 94 ARG HA 1 95 ILE H . . 3.120 2.169 2.141 2.213 . 0 0 "[ . 1 . 2]" 1
1164 1 94 ARG HA 1 108 GLN HA . . 3.710 3.141 2.588 3.701 . 0 0 "[ . 1 . 2]" 1
1165 1 94 ARG HA 1 109 ILE H . . 4.430 4.255 3.864 4.443 0.013 19 0 "[ . 1 . 2]" 1
1166 1 94 ARG QB 1 95 ILE H . . 3.780 3.291 3.005 3.690 . 0 0 "[ . 1 . 2]" 1
1167 1 94 ARG HB2 1 95 ILE H . . 4.640 4.348 4.238 4.494 . 0 0 "[ . 1 . 2]" 1
1168 1 94 ARG HB3 1 95 ILE H . . 4.640 3.420 3.074 3.956 . 0 0 "[ . 1 . 2]" 1
1169 1 94 ARG QD 1 106 ALA MB . . 3.140 2.244 1.862 2.834 . 0 0 "[ . 1 . 2]" 1
1170 1 94 ARG HD2 1 106 ALA MB . . 3.720 2.876 1.910 3.720 0.000 2 0 "[ . 1 . 2]" 1
1171 1 94 ARG HD3 1 106 ALA MB . . 3.720 2.659 1.903 3.734 0.014 7 0 "[ . 1 . 2]" 1
1172 1 94 ARG QG 1 108 GLN HA . . 4.240 3.332 2.628 3.953 . 0 0 "[ . 1 . 2]" 1
1173 1 94 ARG QG 1 108 GLN QB . . 5.190 3.720 3.037 4.750 . 0 0 "[ . 1 . 2]" 1
1174 1 94 ARG QG 1 109 ILE H . . 5.190 4.637 4.108 5.200 0.010 1 0 "[ . 1 . 2]" 1
1175 1 95 ILE H 1 95 ILE HB . . 3.400 2.830 2.706 2.935 . 0 0 "[ . 1 . 2]" 1
1176 1 95 ILE H 1 95 ILE HG12 . . 4.470 4.225 4.037 4.339 . 0 0 "[ . 1 . 2]" 1
1177 1 95 ILE H 1 95 ILE HG13 . . 4.470 2.927 2.692 3.059 . 0 0 "[ . 1 . 2]" 1
1178 1 95 ILE H 1 95 ILE MG . . 4.500 3.922 3.874 3.961 . 0 0 "[ . 1 . 2]" 1
1179 1 95 ILE H 1 106 ALA MB . . 4.010 3.501 2.737 4.011 0.001 5 0 "[ . 1 . 2]" 1
1180 1 95 ILE H 1 107 THR H . . 3.720 2.882 2.564 3.305 . 0 0 "[ . 1 . 2]" 1
1181 1 95 ILE H 1 107 THR HB . . 4.370 3.593 2.959 4.377 0.007 19 0 "[ . 1 . 2]" 1
1182 1 95 ILE HA 1 95 ILE HG12 . . 2.800 2.773 2.669 2.849 0.049 20 0 "[ . 1 . 2]" 1
1183 1 95 ILE HA 1 95 ILE HG13 . . 3.000 2.845 2.727 3.008 0.008 7 0 "[ . 1 . 2]" 1
1184 1 95 ILE HA 1 95 ILE MG . . 3.420 2.372 2.305 2.433 . 0 0 "[ . 1 . 2]" 1
1185 1 95 ILE HA 1 96 SER H . . 3.020 2.207 2.149 2.265 . 0 0 "[ . 1 . 2]" 1
1186 1 95 ILE HB 1 95 ILE MD . . 3.000 2.235 2.100 2.368 . 0 0 "[ . 1 . 2]" 1
1187 1 95 ILE HB 1 96 SER H . . 4.110 3.952 3.809 4.131 0.021 7 0 "[ . 1 . 2]" 1
1188 1 95 ILE HB 1 107 THR HB . . 4.720 3.491 2.709 3.939 . 0 0 "[ . 1 . 2]" 1
1189 1 95 ILE MD 1 95 ILE MG . . 3.160 2.288 2.119 2.450 . 0 0 "[ . 1 . 2]" 1
1190 1 95 ILE QG 1 95 ILE MG . . 3.300 2.163 2.047 2.232 . 0 0 "[ . 1 . 2]" 1
1191 1 95 ILE MG 1 96 SER H . . 3.390 2.244 2.046 2.509 . 0 0 "[ . 1 . 2]" 1
1192 1 95 ILE MG 1 96 SER QB . . 4.570 4.194 4.056 4.566 . 0 0 "[ . 1 . 2]" 1
1193 1 95 ILE MG 1 107 THR HB . . 5.090 4.709 3.901 5.090 . 3 0 "[ . 1 . 2]" 1
1194 1 96 SER H 1 96 SER QB . . 3.660 2.853 2.704 3.238 . 0 0 "[ . 1 . 2]" 1
1195 1 96 SER H 1 103 TYR QE . . 5.300 4.720 4.181 5.307 0.007 1 0 "[ . 1 . 2]" 1
1196 1 96 SER QB 1 97 ALA H . . 3.650 2.949 2.110 3.328 . 0 0 "[ . 1 . 2]" 1
1197 1 96 SER QB 1 97 ALA MB . . 4.740 4.535 4.136 4.741 0.001 4 0 "[ . 1 . 2]" 1
1198 1 96 SER QB 1 103 TYR QD . . 3.700 2.469 1.971 2.833 . 0 0 "[ . 1 . 2]" 1
1199 1 96 SER QB 1 106 ALA HA . . 3.800 2.637 2.120 3.061 . 0 0 "[ . 1 . 2]" 1
1200 1 96 SER QB 1 106 ALA MB . . 3.470 2.613 2.098 3.509 0.039 7 0 "[ . 1 . 2]" 1
1201 1 96 SER QB 1 107 THR H . . 4.290 4.039 3.393 4.298 0.008 1 0 "[ . 1 . 2]" 1
1202 1 96 SER HB2 1 97 ALA H . . 4.290 3.616 2.125 4.067 . 0 0 "[ . 1 . 2]" 1
1203 1 96 SER HB2 1 103 TYR QD . . 4.390 3.773 2.046 4.393 0.003 1 0 "[ . 1 . 2]" 1
1204 1 96 SER HB2 1 106 ALA MB . . 4.190 2.828 2.112 4.167 . 0 0 "[ . 1 . 2]" 1
1205 1 96 SER HB3 1 97 ALA H . . 4.290 3.249 2.482 3.623 . 0 0 "[ . 1 . 2]" 1
1206 1 96 SER HB3 1 103 TYR QD . . 4.390 2.699 1.980 4.066 . 0 0 "[ . 1 . 2]" 1
1207 1 96 SER HB3 1 106 ALA MB . . 4.190 3.745 2.783 4.199 0.009 14 0 "[ . 1 . 2]" 1
1208 1 97 ALA H 1 97 ALA MB . . 3.660 2.371 2.222 2.546 . 0 0 "[ . 1 . 2]" 1
1209 1 97 ALA HA 1 103 TYR QE . . 5.300 3.396 2.277 4.236 . 0 0 "[ . 1 . 2]" 1
1210 1 97 ALA MB 1 98 LYS H . . 3.930 2.774 2.450 3.063 . 0 0 "[ . 1 . 2]" 1
1211 1 97 ALA MB 1 103 TYR QD . . 5.010 4.339 3.761 4.903 . 0 0 "[ . 1 . 2]" 1
1212 1 97 ALA MB 1 103 TYR QE . . 5.110 4.707 3.938 5.111 0.001 3 0 "[ . 1 . 2]" 1
1213 1 97 ALA MB 1 104 GLY H . . 4.970 4.578 3.916 4.980 0.010 11 0 "[ . 1 . 2]" 1
1214 1 98 LYS HA 1 99 ASN H . . 3.340 2.170 2.141 2.231 . 0 0 "[ . 1 . 2]" 1
1215 1 98 LYS HA 1 103 TYR HA . . 4.080 2.634 2.053 3.290 . 0 0 "[ . 1 . 2]" 1
1216 1 98 LYS QB 1 103 TYR HH . . 3.950 2.763 1.996 3.614 . 0 0 "[ . 1 . 2]" 1
1217 1 98 LYS QD 1 103 TYR QD . . 4.600 3.996 3.032 4.589 . 0 0 "[ . 1 . 2]" 1
1218 1 98 LYS QD 1 103 TYR QE . . 3.580 2.779 2.291 3.577 . 0 0 "[ . 1 . 2]" 1
1219 1 98 LYS HD2 1 103 TYR QE . . 4.430 2.990 2.310 4.176 . 0 0 "[ . 1 . 2]" 1
1220 1 98 LYS HD3 1 103 TYR QE . . 4.430 3.885 2.574 4.439 0.009 20 0 "[ . 1 . 2]" 1
1221 1 98 LYS QE 1 98 LYS HG2 . . 3.780 2.399 2.115 3.245 . 0 0 "[ . 1 . 2]" 1
1222 1 98 LYS QE 1 98 LYS HG3 . . 3.780 2.749 2.254 3.398 . 0 0 "[ . 1 . 2]" 1
1223 1 98 LYS QE 1 102 GLY HA2 . . 4.380 3.417 1.897 4.380 0.000 3 0 "[ . 1 . 2]" 1
1224 1 98 LYS QE 1 103 TYR QE . . 5.320 3.873 1.827 4.766 . 0 0 "[ . 1 . 2]" 1
1225 1 98 LYS QG 1 99 ASN H . . 3.660 2.699 2.431 3.065 . 0 0 "[ . 1 . 2]" 1
1226 1 98 LYS QG 1 102 GLY H . . 4.500 3.909 3.186 4.467 . 0 0 "[ . 1 . 2]" 1
1227 1 98 LYS QG 1 103 TYR HH . . 4.480 3.776 2.694 4.318 . 0 0 "[ . 1 . 2]" 1
1228 1 98 LYS HG2 1 99 ASN H . . 4.250 2.989 2.509 4.178 . 0 0 "[ . 1 . 2]" 1
1229 1 98 LYS HG2 1 102 GLY HA2 . . 4.630 3.574 2.676 4.626 . 0 0 "[ . 1 . 2]" 1
1230 1 98 LYS HG3 1 99 ASN H . . 4.250 3.385 2.470 4.238 . 0 0 "[ . 1 . 2]" 1
1231 1 98 LYS HG3 1 102 GLY HA2 . . 4.630 3.028 2.108 4.465 . 0 0 "[ . 1 . 2]" 1
1232 1 99 ASN H 1 99 ASN QB . . 3.700 2.598 2.242 3.054 . 0 0 "[ . 1 . 2]" 1
1233 1 99 ASN H 1 101 LYS H . . 4.380 4.263 3.201 4.393 0.013 20 0 "[ . 1 . 2]" 1
1234 1 99 ASN H 1 102 GLY H . . 3.720 3.184 2.763 3.721 0.001 12 0 "[ . 1 . 2]" 1
1235 1 99 ASN H 1 103 TYR HA . . 4.190 3.674 2.883 4.169 . 0 0 "[ . 1 . 2]" 1
1236 1 99 ASN QB 1 100 GLU H . . 3.620 2.403 1.891 3.645 0.025 16 0 "[ . 1 . 2]" 1
1237 1 99 ASN HB2 1 100 GLU H . . 4.260 3.109 1.921 3.964 . 0 0 "[ . 1 . 2]" 1
1238 1 99 ASN HB3 1 100 GLU H . . 4.260 3.004 1.901 4.255 . 0 0 "[ . 1 . 2]" 1
1239 1 100 GLU H 1 101 LYS H . . 4.010 2.700 2.066 3.072 . 0 0 "[ . 1 . 2]" 1
1240 1 100 GLU HA 1 100 GLU HG2 . . 4.080 2.674 2.227 3.610 . 0 0 "[ . 1 . 2]" 1
1241 1 100 GLU HA 1 100 GLU QG . . 3.570 2.413 2.183 2.769 . 0 0 "[ . 1 . 2]" 1
1242 1 100 GLU HA 1 100 GLU HG3 . . 4.080 3.070 2.269 3.781 . 0 0 "[ . 1 . 2]" 1
1243 1 100 GLU HA 1 102 GLY H . . 5.220 5.092 4.663 5.222 0.002 13 0 "[ . 1 . 2]" 1
1244 1 100 GLU QB 1 101 LYS H . . 4.020 2.559 2.188 3.777 . 0 0 "[ . 1 . 2]" 1
1245 1 100 GLU HG2 1 101 LYS H . . 5.500 4.668 3.915 5.022 . 0 0 "[ . 1 . 2]" 1
1246 1 100 GLU HG3 1 101 LYS H . . 5.500 4.717 4.182 5.413 . 0 0 "[ . 1 . 2]" 1
1247 1 101 LYS H 1 101 LYS HB2 . . 3.660 2.385 2.136 3.172 . 0 0 "[ . 1 . 2]" 1
1248 1 101 LYS H 1 101 LYS QB . . 3.150 2.302 2.094 2.544 . 0 0 "[ . 1 . 2]" 1
1249 1 101 LYS H 1 101 LYS HB3 . . 3.660 3.473 2.162 3.681 0.021 16 0 "[ . 1 . 2]" 1
1250 1 101 LYS H 1 101 LYS HG2 . . 4.310 3.179 2.231 4.419 0.109 8 0 "[ . 1 . 2]" 1
1251 1 101 LYS H 1 101 LYS QG . . 3.580 2.975 2.208 3.714 0.134 15 0 "[ . 1 . 2]" 1
1252 1 101 LYS H 1 101 LYS HG3 . . 4.310 3.835 3.340 4.332 0.022 16 0 "[ . 1 . 2]" 1
1253 1 101 LYS H 1 102 GLY H . . 3.080 2.520 1.812 2.943 . 0 0 "[ . 1 . 2]" 1
1254 1 101 LYS HA 1 101 LYS QD . . 3.460 2.569 1.986 3.389 . 0 0 "[ . 1 . 2]" 1
1255 1 101 LYS HA 1 101 LYS HG2 . . 4.100 2.753 2.156 4.013 . 0 0 "[ . 1 . 2]" 1
1256 1 101 LYS HA 1 101 LYS QG . . 3.530 2.540 2.136 3.257 . 0 0 "[ . 1 . 2]" 1
1257 1 101 LYS HA 1 101 LYS HG3 . . 4.100 3.523 2.208 3.779 . 0 0 "[ . 1 . 2]" 1
1258 1 101 LYS QB 1 102 GLY HA3 . . 4.570 3.903 3.753 4.571 0.001 8 0 "[ . 1 . 2]" 1
1259 1 101 LYS HB2 1 102 GLY H . . 4.000 2.643 2.138 3.953 . 0 0 "[ . 1 . 2]" 1
1260 1 101 LYS HB3 1 102 GLY H . . 4.000 3.146 2.274 3.966 . 0 0 "[ . 1 . 2]" 1
1261 1 101 LYS QG 1 102 GLY H . . 5.340 4.077 2.440 4.522 . 0 0 "[ . 1 . 2]" 1
1262 1 102 GLY H 1 103 TYR H . . 4.530 4.086 3.415 4.405 . 0 0 "[ . 1 . 2]" 1
1263 1 102 GLY HA2 1 103 TYR H . . 3.560 2.971 2.166 3.498 . 0 0 "[ . 1 . 2]" 1
1264 1 102 GLY HA2 1 103 TYR QD . . 5.310 3.874 2.635 4.540 . 0 0 "[ . 1 . 2]" 1
1265 1 102 GLY HA3 1 103 TYR H . . 3.430 2.334 2.138 3.378 . 0 0 "[ . 1 . 2]" 1
1266 1 103 TYR H 1 103 TYR HB2 . . 3.800 2.502 2.202 2.771 . 0 0 "[ . 1 . 2]" 1
1267 1 103 TYR H 1 103 TYR QB . . 3.170 2.461 2.180 2.702 . 0 0 "[ . 1 . 2]" 1
1268 1 103 TYR H 1 103 TYR HB3 . . 3.800 3.667 3.502 3.785 . 0 0 "[ . 1 . 2]" 1
1269 1 103 TYR H 1 103 TYR QD . . 4.040 2.772 1.950 4.045 0.005 15 0 "[ . 1 . 2]" 1
1270 1 103 TYR HA 1 103 TYR QD . . 4.370 2.866 2.454 3.210 . 0 0 "[ . 1 . 2]" 1
1271 1 103 TYR HA 1 104 GLY H . . 3.290 2.260 2.143 2.561 . 0 0 "[ . 1 . 2]" 1
1272 1 103 TYR QB 1 104 GLY H . . 3.820 2.877 2.099 3.372 . 0 0 "[ . 1 . 2]" 1
1273 1 103 TYR HB2 1 104 GLY H . . 4.490 4.020 3.336 4.446 . 0 0 "[ . 1 . 2]" 1
1274 1 103 TYR HB3 1 104 GLY H . . 4.490 2.952 2.121 3.498 . 0 0 "[ . 1 . 2]" 1
1275 1 103 TYR QD 1 104 GLY H . . 4.010 3.753 3.322 4.027 0.017 19 0 "[ . 1 . 2]" 1
1276 1 104 GLY QA 1 105 PRO QB . . 4.710 4.285 4.276 4.317 . 0 0 "[ . 1 . 2]" 1
1277 1 104 GLY QA 1 105 PRO QD . . 3.000 1.887 1.834 1.997 . 0 0 "[ . 1 . 2]" 1
1278 1 104 GLY QA 1 105 PRO QG . . 4.330 3.683 3.641 3.803 . 0 0 "[ . 1 . 2]" 1
1279 1 104 GLY HA2 1 105 PRO HD2 . . 3.970 3.480 3.140 3.769 . 0 0 "[ . 1 . 2]" 1
1280 1 104 GLY HA2 1 105 PRO HD3 . . 3.970 3.297 2.849 3.771 . 0 0 "[ . 1 . 2]" 1
1281 1 104 GLY HA3 1 105 PRO HD2 . . 3.970 2.013 1.915 2.260 . 0 0 "[ . 1 . 2]" 1
1282 1 104 GLY HA3 1 105 PRO HD3 . . 3.970 2.459 2.253 2.783 . 0 0 "[ . 1 . 2]" 1
1283 1 105 PRO HA 1 106 ALA H . . 2.880 2.177 2.150 2.300 . 0 0 "[ . 1 . 2]" 1
1284 1 105 PRO HA 1 106 ALA MB . . 4.160 3.942 3.856 4.017 . 0 0 "[ . 1 . 2]" 1
1285 1 105 PRO QB 1 106 ALA H . . 3.490 3.210 2.775 3.388 . 0 0 "[ . 1 . 2]" 1
1286 1 105 PRO HB2 1 106 ALA H . . 4.060 3.409 2.886 3.627 . 0 0 "[ . 1 . 2]" 1
1287 1 105 PRO HB3 1 106 ALA H . . 4.060 3.922 3.600 4.065 0.005 1 0 "[ . 1 . 2]" 1
1288 1 106 ALA H 1 106 ALA MB . . 3.070 2.320 2.094 2.541 . 0 0 "[ . 1 . 2]" 1
1289 1 106 ALA H 1 107 THR H . . 4.650 4.467 4.338 4.604 . 0 0 "[ . 1 . 2]" 1
1290 1 106 ALA HA 1 107 THR H . . 3.140 2.223 2.141 2.425 . 0 0 "[ . 1 . 2]" 1
1291 1 106 ALA MB 1 107 THR H . . 3.490 2.915 2.329 3.198 . 0 0 "[ . 1 . 2]" 1
1292 1 107 THR H 1 107 THR HB . . 3.500 2.542 2.318 2.756 . 0 0 "[ . 1 . 2]" 1
1293 1 107 THR H 1 107 THR MG . . 3.950 3.690 2.578 3.905 . 0 0 "[ . 1 . 2]" 1
1294 1 107 THR HA 1 107 THR MG . . 3.550 2.464 2.297 3.147 . 0 0 "[ . 1 . 2]" 1
1295 1 107 THR HA 1 108 GLN H . . 2.920 2.192 2.145 2.287 . 0 0 "[ . 1 . 2]" 1
1296 1 107 THR MG 1 108 GLN H . . 3.650 2.379 1.902 3.057 . 0 0 "[ . 1 . 2]" 1
1297 1 107 THR MG 1 108 GLN HA . . 4.690 3.704 3.252 4.009 . 0 0 "[ . 1 . 2]" 1
1298 1 107 THR MG 1 108 GLN QB . . 4.290 4.020 3.825 4.360 0.070 19 0 "[ . 1 . 2]" 1
1299 1 107 THR MG 1 108 GLN QG . . 5.340 4.992 4.767 5.245 . 0 0 "[ . 1 . 2]" 1
1300 1 107 THR MG 1 109 ILE H . . 5.500 4.274 3.438 4.920 . 0 0 "[ . 1 . 2]" 1
1301 1 108 GLN H 1 108 GLN HB2 . . 3.700 2.847 2.597 3.243 . 0 0 "[ . 1 . 2]" 1
1302 1 108 GLN H 1 108 GLN QB . . 3.210 2.417 2.310 2.535 . 0 0 "[ . 1 . 2]" 1
1303 1 108 GLN H 1 108 GLN HB3 . . 3.700 2.650 2.418 2.844 . 0 0 "[ . 1 . 2]" 1
1304 1 108 GLN H 1 108 GLN HG2 . . 5.500 4.498 4.282 4.676 . 0 0 "[ . 1 . 2]" 1
1305 1 108 GLN H 1 108 GLN HG3 . . 5.500 4.636 4.497 4.965 . 0 0 "[ . 1 . 2]" 1
1306 1 108 GLN H 1 109 ILE H . . 4.620 4.406 4.102 4.567 . 0 0 "[ . 1 . 2]" 1
1307 1 108 GLN HA 1 109 ILE H . . 3.010 2.203 2.139 2.372 . 0 0 "[ . 1 . 2]" 1
1308 1 108 GLN HA 1 109 ILE MG . . 4.340 3.710 3.484 3.930 . 0 0 "[ . 1 . 2]" 1
1309 1 108 GLN HB2 1 109 ILE H . . 4.610 4.219 3.850 4.468 . 0 0 "[ . 1 . 2]" 1
1310 1 108 GLN HB3 1 109 ILE H . . 4.610 4.014 3.375 4.412 . 0 0 "[ . 1 . 2]" 1
1311 1 108 GLN QG 1 109 ILE H . . 3.670 2.646 1.961 3.180 . 0 0 "[ . 1 . 2]" 1
1312 1 108 GLN HG2 1 109 ILE H . . 4.210 2.847 1.969 3.780 . 0 0 "[ . 1 . 2]" 1
1313 1 108 GLN HG3 1 109 ILE H . . 4.210 3.399 2.464 4.161 . 0 0 "[ . 1 . 2]" 1
1314 1 109 ILE H 1 109 ILE HB . . 3.730 3.178 2.917 3.438 . 0 0 "[ . 1 . 2]" 1
1315 1 109 ILE H 1 109 ILE MG . . 3.620 2.177 1.931 2.580 . 0 0 "[ . 1 . 2]" 1
1316 1 109 ILE HA 1 109 ILE HG12 . . 3.300 3.243 3.125 3.304 0.004 18 0 "[ . 1 . 2]" 1
1317 1 109 ILE HA 1 109 ILE HG13 . . 2.400 2.341 2.263 2.408 0.008 20 0 "[ . 1 . 2]" 1
1318 1 109 ILE HB 1 110 ARG H . . 4.330 4.016 3.791 4.198 . 0 0 "[ . 1 . 2]" 1
1319 1 109 ILE MD 1 109 ILE MG . . 3.260 2.255 2.069 2.457 . 0 0 "[ . 1 . 2]" 1
1320 1 109 ILE QG 1 110 ARG H . . 3.340 2.192 1.801 2.601 . 0 0 "[ . 1 . 2]" 1
1321 1 109 ILE HG12 1 110 ARG H . . 4.150 2.706 2.139 3.203 . 0 0 "[ . 1 . 2]" 1
1322 1 109 ILE HG13 1 110 ARG H . . 4.150 2.325 1.939 2.796 . 0 0 "[ . 1 . 2]" 1
1323 1 109 ILE MG 1 110 ARG H . . 3.970 3.714 3.381 3.961 . 0 0 "[ . 1 . 2]" 1
1324 1 110 ARG H 1 110 ARG HB2 . . 3.260 2.457 2.281 2.597 . 0 0 "[ . 1 . 2]" 1
1325 1 110 ARG H 1 110 ARG HG2 . . 4.550 4.273 3.923 4.568 0.018 20 0 "[ . 1 . 2]" 1
1326 1 110 ARG H 1 110 ARG QG . . 3.860 3.245 2.745 3.947 0.087 20 0 "[ . 1 . 2]" 1
1327 1 110 ARG H 1 110 ARG HG3 . . 4.550 3.386 2.787 4.318 . 0 0 "[ . 1 . 2]" 1
1328 1 110 ARG HA 1 111 TRP H . . 3.150 2.167 2.139 2.224 . 0 0 "[ . 1 . 2]" 1
1329 1 110 ARG HB3 1 111 TRP HA . . 4.960 4.675 4.383 4.887 . 0 0 "[ . 1 . 2]" 1
1330 1 110 ARG QG 1 111 TRP H . . 4.780 4.006 2.458 4.329 . 0 0 "[ . 1 . 2]" 1
1331 1 111 TRP H 1 111 TRP HB2 . . 3.890 2.769 2.570 3.087 . 0 0 "[ . 1 . 2]" 1
1332 1 111 TRP H 1 111 TRP QB . . 3.380 2.389 2.278 2.542 . 0 0 "[ . 1 . 2]" 1
1333 1 111 TRP H 1 111 TRP HB3 . . 3.890 2.616 2.467 2.743 . 0 0 "[ . 1 . 2]" 1
1334 1 111 TRP HA 1 111 TRP HD1 . . 3.620 2.535 2.313 2.757 . 0 0 "[ . 1 . 2]" 1
1335 1 111 TRP HA 1 111 TRP HE1 . . 5.000 4.782 4.652 4.903 . 0 0 "[ . 1 . 2]" 1
1336 1 111 TRP HA 1 111 TRP HE3 . . 5.070 4.980 4.860 5.086 0.016 19 0 "[ . 1 . 2]" 1
1337 1 111 TRP HA 1 112 LEU H . . 3.210 2.173 2.140 2.296 . 0 0 "[ . 1 . 2]" 1
1338 1 111 TRP HA 1 112 LEU HB2 . . 4.590 4.364 4.238 4.504 . 0 0 "[ . 1 . 2]" 1
1339 1 111 TRP HA 1 112 LEU HG . . 5.500 4.595 4.075 5.512 0.012 12 0 "[ . 1 . 2]" 1
1340 1 111 TRP HD1 1 112 LEU H . . 4.200 3.782 3.141 4.202 0.002 10 0 "[ . 1 . 2]" 1
1341 1 112 LEU H 1 112 LEU HB2 . . 3.620 2.281 2.184 2.424 . 0 0 "[ . 1 . 2]" 1
1342 1 112 LEU H 1 112 LEU HB3 . . 4.050 3.541 3.493 3.586 . 0 0 "[ . 1 . 2]" 1
1343 1 112 LEU H 1 112 LEU MD1 . . 4.200 3.516 3.238 4.013 . 0 0 "[ . 1 . 2]" 1
1344 1 112 LEU H 1 112 LEU MD2 . . 4.150 3.813 2.018 4.149 . 0 0 "[ . 1 . 2]" 1
1345 1 112 LEU H 1 112 LEU HG . . 3.590 2.788 2.347 3.530 . 0 0 "[ . 1 . 2]" 1
1346 1 112 LEU HA 1 112 LEU MD1 . . 4.190 3.774 2.462 3.893 . 0 0 "[ . 1 . 2]" 1
1347 1 112 LEU HA 1 112 LEU MD2 . . 3.180 2.218 1.953 2.573 . 0 0 "[ . 1 . 2]" 1
1348 1 112 LEU HA 1 112 LEU HG . . 4.140 2.774 2.431 3.717 . 0 0 "[ . 1 . 2]" 1
1349 1 112 LEU HA 1 113 GLN H . . 2.990 2.175 2.140 2.440 . 0 0 "[ . 1 . 2]" 1
1350 1 112 LEU HB2 1 112 LEU MD1 . . 3.310 2.253 1.979 3.119 . 0 0 "[ . 1 . 2]" 1
1351 1 112 LEU HB2 1 112 LEU MD2 . . 3.400 3.137 2.651 3.188 . 0 0 "[ . 1 . 2]" 1
1352 1 112 LEU HB3 1 112 LEU MD1 . . 3.370 2.487 2.185 2.667 . 0 0 "[ . 1 . 2]" 1
1353 1 112 LEU HB3 1 112 LEU MD2 . . 3.380 2.274 2.025 3.137 . 0 0 "[ . 1 . 2]" 1
1354 1 112 LEU HB3 1 113 GLN H . . 4.000 3.473 2.341 3.901 . 0 0 "[ . 1 . 2]" 1
1355 1 112 LEU MD2 1 113 GLN H . . 3.830 3.373 2.826 3.873 0.043 12 0 "[ . 1 . 2]" 1
1356 1 113 GLN H 1 113 GLN HB2 . . 3.820 2.852 2.187 3.790 . 0 0 "[ . 1 . 2]" 1
1357 1 113 GLN H 1 113 GLN QB . . 3.320 2.471 2.166 2.922 . 0 0 "[ . 1 . 2]" 1
1358 1 113 GLN H 1 113 GLN HB3 . . 3.820 3.208 2.428 3.619 . 0 0 "[ . 1 . 2]" 1
1359 1 113 GLN H 1 113 GLN QG . . 4.020 2.607 1.922 4.029 0.009 12 0 "[ . 1 . 2]" 1
1360 1 113 GLN QG 1 114 GLY H . . 5.490 3.937 3.138 4.466 . 0 0 "[ . 1 . 2]" 1
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