NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
457624 |
2rqq   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rqq
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 1791
_Distance_constraint_stats_list.Viol_count 4345
_Distance_constraint_stats_list.Viol_total 4246.664
_Distance_constraint_stats_list.Viol_max 0.364
_Distance_constraint_stats_list.Viol_rms 0.0215
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0059
_Distance_constraint_stats_list.Viol_average_violations_only 0.0489
_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 2 PRO 2.128 0.196 19 0 "[ . 1 . 2]"
1 3 LEU 1.534 0.196 19 0 "[ . 1 . 2]"
1 4 GLY 0.056 0.031 19 0 "[ . 1 . 2]"
1 6 MET 0.650 0.119 6 0 "[ . 1 . 2]"
1 7 THR 0.827 0.110 2 0 "[ . 1 . 2]"
1 8 ARG 1.964 0.122 2 0 "[ . 1 . 2]"
1 9 CYS 1.573 0.122 2 0 "[ . 1 . 2]"
1 10 PRO 0.913 0.119 1 0 "[ . 1 . 2]"
1 11 GLU 2.342 0.101 12 0 "[ . 1 . 2]"
1 12 GLN 8.454 0.364 13 0 "[ . 1 . 2]"
1 13 GLU 6.901 0.239 17 0 "[ . 1 . 2]"
1 14 LEU 2.825 0.129 8 0 "[ . 1 . 2]"
1 15 ARG 8.802 0.239 17 0 "[ . 1 . 2]"
1 16 LEU 4.715 0.163 14 0 "[ . 1 . 2]"
1 17 GLN 5.102 0.137 3 0 "[ . 1 . 2]"
1 18 ARG 2.851 0.231 14 0 "[ . 1 . 2]"
1 19 LEU 11.980 0.231 14 0 "[ . 1 . 2]"
1 20 GLU 2.115 0.153 4 0 "[ . 1 . 2]"
1 21 ARG 7.154 0.161 14 0 "[ . 1 . 2]"
1 22 LEU 2.512 0.122 9 0 "[ . 1 . 2]"
1 23 PRO 6.402 0.153 4 0 "[ . 1 . 2]"
1 24 GLU 5.258 0.137 14 0 "[ . 1 . 2]"
1 25 LEU 7.580 0.144 14 0 "[ . 1 . 2]"
1 26 ALA 5.856 0.137 16 0 "[ . 1 . 2]"
1 27 ARG 3.132 0.186 11 0 "[ . 1 . 2]"
1 28 VAL 7.791 0.186 11 0 "[ . 1 . 2]"
1 29 LEU 5.710 0.220 18 0 "[ . 1 . 2]"
1 30 ARG 3.577 0.220 18 0 "[ . 1 . 2]"
1 31 ASN 3.440 0.214 18 0 "[ . 1 . 2]"
1 32 VAL 7.848 0.211 11 0 "[ . 1 . 2]"
1 33 PHE 2.813 0.158 18 0 "[ . 1 . 2]"
1 34 VAL 7.007 0.188 10 0 "[ . 1 . 2]"
1 35 SER 1.858 0.069 2 0 "[ . 1 . 2]"
1 36 GLU 4.047 0.121 17 0 "[ . 1 . 2]"
1 37 ARG 1.081 0.118 12 0 "[ . 1 . 2]"
1 38 LYS 5.728 0.188 10 0 "[ . 1 . 2]"
1 39 PRO 0.101 0.017 17 0 "[ . 1 . 2]"
1 40 ALA 5.632 0.183 18 0 "[ . 1 . 2]"
1 41 LEU 0.811 0.080 7 0 "[ . 1 . 2]"
1 42 THR 8.826 0.200 15 0 "[ . 1 . 2]"
1 43 MET 4.211 0.200 15 0 "[ . 1 . 2]"
1 44 GLU 3.561 0.169 7 0 "[ . 1 . 2]"
1 45 VAL 2.945 0.105 3 0 "[ . 1 . 2]"
1 46 VAL 1.324 0.083 19 0 "[ . 1 . 2]"
1 47 CYS 1.092 0.141 14 0 "[ . 1 . 2]"
1 48 ALA 3.320 0.145 15 0 "[ . 1 . 2]"
1 49 ARG 4.854 0.157 19 0 "[ . 1 . 2]"
1 50 MET 7.577 0.211 11 0 "[ . 1 . 2]"
1 51 VAL 4.103 0.157 19 0 "[ . 1 . 2]"
1 52 ASP 2.661 0.119 8 0 "[ . 1 . 2]"
1 53 SER 6.028 0.145 15 0 "[ . 1 . 2]"
1 54 CYS 7.261 0.182 7 0 "[ . 1 . 2]"
1 55 GLN 1.096 0.096 18 0 "[ . 1 . 2]"
1 56 THR 1.907 0.117 13 0 "[ . 1 . 2]"
1 57 ALA 4.222 0.182 7 0 "[ . 1 . 2]"
1 58 LEU 3.460 0.148 13 0 "[ . 1 . 2]"
1 59 SER 0.941 0.065 8 0 "[ . 1 . 2]"
1 60 PRO 0.043 0.043 14 0 "[ . 1 . 2]"
1 61 GLY 0.326 0.050 3 0 "[ . 1 . 2]"
1 62 GLU 2.166 0.152 9 0 "[ . 1 . 2]"
1 63 MET 2.871 0.164 6 0 "[ . 1 . 2]"
1 64 GLU 0.913 0.102 17 0 "[ . 1 . 2]"
1 65 LYS 2.787 0.203 4 0 "[ . 1 . 2]"
1 66 HIS 6.136 0.169 12 0 "[ . 1 . 2]"
1 67 LEU 2.310 0.164 6 0 "[ . 1 . 2]"
1 68 VAL 8.141 0.188 6 0 "[ . 1 . 2]"
1 69 LEU 3.767 0.123 7 0 "[ . 1 . 2]"
1 70 LEU 2.898 0.123 7 0 "[ . 1 . 2]"
1 71 ALA 7.053 0.144 20 0 "[ . 1 . 2]"
1 72 GLU 1.560 0.076 14 0 "[ . 1 . 2]"
1 73 LEU 4.031 0.119 12 0 "[ . 1 . 2]"
1 74 LEU 5.915 0.223 16 0 "[ . 1 . 2]"
1 75 PRO 0.767 0.068 18 0 "[ . 1 . 2]"
1 76 ASP 2.299 0.074 8 0 "[ . 1 . 2]"
1 77 TRP 2.538 0.109 20 0 "[ . 1 . 2]"
1 78 LEU 6.996 0.223 16 0 "[ . 1 . 2]"
1 79 SER 1.159 0.090 13 0 "[ . 1 . 2]"
1 80 LEU 5.174 0.188 6 0 "[ . 1 . 2]"
1 81 HIS 3.506 0.165 2 0 "[ . 1 . 2]"
1 82 ARG 2.410 0.109 15 0 "[ . 1 . 2]"
1 83 ILE 6.488 0.182 18 0 "[ . 1 . 2]"
1 84 ARG 2.908 0.108 7 0 "[ . 1 . 2]"
1 85 THR 1.569 0.234 18 0 "[ . 1 . 2]"
1 86 ASP 3.042 0.108 7 0 "[ . 1 . 2]"
1 87 THR 3.796 0.144 4 0 "[ . 1 . 2]"
1 88 TYR 6.909 0.183 18 0 "[ . 1 . 2]"
1 89 VAL 2.180 0.098 15 0 "[ . 1 . 2]"
1 90 LYS 2.837 0.155 5 0 "[ . 1 . 2]"
1 91 LEU 5.674 0.158 18 0 "[ . 1 . 2]"
1 92 ASP 2.226 0.141 9 0 "[ . 1 . 2]"
1 93 LYS 1.684 0.124 4 0 "[ . 1 . 2]"
1 94 ALA 2.193 0.085 2 0 "[ . 1 . 2]"
1 95 VAL 10.944 0.182 20 0 "[ . 1 . 2]"
1 96 ASP 6.958 0.163 9 0 "[ . 1 . 2]"
1 97 LEU 5.116 0.203 14 0 "[ . 1 . 2]"
1 98 ALA 1.630 0.093 13 0 "[ . 1 . 2]"
1 99 GLY 3.704 0.203 14 0 "[ . 1 . 2]"
1 100 LEU 8.213 0.182 20 0 "[ . 1 . 2]"
1 101 THR 7.783 0.161 5 0 "[ . 1 . 2]"
1 102 ALA 2.882 0.101 8 0 "[ . 1 . 2]"
1 103 ARG 1.832 0.101 19 0 "[ . 1 . 2]"
1 104 LEU 6.342 0.137 16 0 "[ . 1 . 2]"
1 105 ALA 0.435 0.090 20 0 "[ . 1 . 2]"
1 106 HIS 1.609 0.112 2 0 "[ . 1 . 2]"
1 107 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 VAL 2.654 0.157 3 0 "[ . 1 . 2]"
1 109 HIS 0.997 0.101 15 0 "[ . 1 . 2]"
1 110 ALA 0.735 0.086 15 0 "[ . 1 . 2]"
1 111 GLU 0.413 0.073 13 0 "[ . 1 . 2]"
1 112 GLY 0.066 0.032 8 0 "[ . 1 . 2]"
1 113 LEU 0.747 0.082 11 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 2 PRO HB2 1 3 LEU QD . . 3.940 3.560 2.261 4.136 0.196 19 0 "[ . 1 . 2]" 1
2 1 2 PRO HB2 1 3 LEU HG . . 4.750 4.448 2.862 4.836 0.086 4 0 "[ . 1 . 2]" 1
3 1 2 PRO HB2 1 6 MET HA . . 4.990 4.355 2.263 5.066 0.076 16 0 "[ . 1 . 2]" 1
4 1 2 PRO HB2 1 6 MET QB . . 3.500 2.681 2.160 3.619 0.119 6 0 "[ . 1 . 2]" 1
5 1 2 PRO HB2 1 6 MET QG . . 4.340 3.502 2.011 4.406 0.066 11 0 "[ . 1 . 2]" 1
6 1 2 PRO QG 1 3 LEU H . . 5.500 3.673 2.043 4.811 . 0 0 "[ . 1 . 2]" 1
7 1 2 PRO QG 1 3 LEU QB . . 5.500 5.162 4.485 5.546 0.046 14 0 "[ . 1 . 2]" 1
8 1 2 PRO QG 1 6 MET H . . 4.990 3.768 2.284 5.002 0.012 1 0 "[ . 1 . 2]" 1
9 1 2 PRO QG 1 6 MET HA . . 5.020 4.602 3.787 5.030 0.010 6 0 "[ . 1 . 2]" 1
10 1 2 PRO QG 1 6 MET HB2 . . 4.260 3.055 2.408 4.321 0.061 8 0 "[ . 1 . 2]" 1
11 1 2 PRO QG 1 6 MET QB . . 3.730 2.701 2.225 3.622 . 0 0 "[ . 1 . 2]" 1
12 1 2 PRO QG 1 6 MET HB3 . . 4.260 3.352 2.373 4.261 0.001 10 0 "[ . 1 . 2]" 1
13 1 3 LEU H 1 3 LEU HG . . 4.360 3.037 2.276 4.352 . 0 0 "[ . 1 . 2]" 1
14 1 3 LEU HA 1 3 LEU MD1 . . 4.540 3.809 2.206 4.123 . 0 0 "[ . 1 . 2]" 1
15 1 3 LEU HA 1 3 LEU QD . . 3.990 3.031 2.114 3.493 . 0 0 "[ . 1 . 2]" 1
16 1 3 LEU HA 1 3 LEU MD2 . . 4.540 3.320 2.173 4.096 . 0 0 "[ . 1 . 2]" 1
17 1 3 LEU HA 1 4 GLY QA . . 4.420 4.141 3.981 4.342 . 0 0 "[ . 1 . 2]" 1
18 1 4 GLY QA 1 6 MET H . . 5.500 4.428 3.016 5.531 0.031 19 0 "[ . 1 . 2]" 1
19 1 6 MET H 1 7 THR H . . 4.930 4.022 2.875 4.701 . 0 0 "[ . 1 . 2]" 1
20 1 6 MET HA 1 7 THR HA . . 5.120 4.536 4.344 4.889 . 0 0 "[ . 1 . 2]" 1
21 1 7 THR HA 1 7 THR MG . . 3.520 2.611 2.239 3.285 . 0 0 "[ . 1 . 2]" 1
22 1 7 THR HA 1 8 ARG H . . 3.220 2.478 2.085 3.309 0.089 5 0 "[ . 1 . 2]" 1
23 1 7 THR HA 1 8 ARG HA . . 4.710 4.438 4.285 4.637 . 0 0 "[ . 1 . 2]" 1
24 1 7 THR HA 1 8 ARG QD . . 4.810 4.530 3.675 4.920 0.110 2 0 "[ . 1 . 2]" 1
25 1 7 THR MG 1 8 ARG H . . 4.430 3.431 2.088 4.438 0.008 17 0 "[ . 1 . 2]" 1
26 1 7 THR MG 1 8 ARG QB . . 5.340 4.114 2.673 5.292 . 0 0 "[ . 1 . 2]" 1
27 1 7 THR MG 1 8 ARG QG . . 4.840 4.068 2.223 4.892 0.052 15 0 "[ . 1 . 2]" 1
28 1 8 ARG H 1 8 ARG QB . . 3.600 2.933 2.349 3.375 . 0 0 "[ . 1 . 2]" 1
29 1 8 ARG H 1 8 ARG QD . . 4.990 3.280 2.001 4.376 . 0 0 "[ . 1 . 2]" 1
30 1 8 ARG H 1 8 ARG HG2 . . 5.290 3.719 2.037 5.107 . 0 0 "[ . 1 . 2]" 1
31 1 8 ARG H 1 8 ARG QG . . 4.410 3.101 2.024 4.085 . 0 0 "[ . 1 . 2]" 1
32 1 8 ARG H 1 8 ARG HG3 . . 5.290 3.822 2.562 4.722 . 0 0 "[ . 1 . 2]" 1
33 1 8 ARG H 1 9 CYS H . . 4.610 3.392 2.172 4.678 0.068 8 0 "[ . 1 . 2]" 1
34 1 8 ARG HA 1 8 ARG QD . . 4.140 3.508 2.122 4.217 0.077 10 0 "[ . 1 . 2]" 1
35 1 8 ARG HA 1 9 CYS H . . 3.210 2.638 2.109 3.194 . 0 0 "[ . 1 . 2]" 1
36 1 8 ARG HA 1 9 CYS HA . . 4.570 4.498 4.378 4.687 0.117 19 0 "[ . 1 . 2]" 1
37 1 8 ARG QB 1 9 CYS H . . 3.920 3.457 2.050 4.042 0.122 2 0 "[ . 1 . 2]" 1
38 1 9 CYS H 1 9 CYS QB . . 3.360 2.602 2.089 3.363 0.003 9 0 "[ . 1 . 2]" 1
39 1 9 CYS QB 1 10 PRO QD . . 4.040 3.174 2.019 3.925 . 0 0 "[ . 1 . 2]" 1
40 1 9 CYS QB 1 11 GLU H . . 4.340 3.136 2.388 3.917 . 0 0 "[ . 1 . 2]" 1
41 1 9 CYS QB 1 11 GLU QG . . 4.070 2.526 2.126 3.269 . 0 0 "[ . 1 . 2]" 1
42 1 9 CYS QB 1 12 GLN H . . 4.120 3.250 2.661 3.628 . 0 0 "[ . 1 . 2]" 1
43 1 9 CYS QB 1 12 GLN QB . . 4.440 3.354 2.639 4.360 . 0 0 "[ . 1 . 2]" 1
44 1 9 CYS QB 1 12 GLN QG . . 4.450 4.251 3.636 4.481 0.031 11 0 "[ . 1 . 2]" 1
45 1 9 CYS QB 1 13 GLU H . . 5.490 5.463 4.754 5.570 0.080 2 0 "[ . 1 . 2]" 1
46 1 10 PRO HA 1 11 GLU H . . 3.570 3.481 3.302 3.556 . 0 0 "[ . 1 . 2]" 1
47 1 10 PRO HA 1 11 GLU HA . . 4.890 4.791 4.652 4.903 0.013 9 0 "[ . 1 . 2]" 1
48 1 10 PRO HA 1 12 GLN H . . 4.250 3.776 3.631 4.077 . 0 0 "[ . 1 . 2]" 1
49 1 10 PRO HA 1 13 GLU H . . 4.270 3.618 3.257 3.931 . 0 0 "[ . 1 . 2]" 1
50 1 10 PRO HA 1 13 GLU QB . . 4.750 4.623 4.148 4.869 0.119 1 0 "[ . 1 . 2]" 1
51 1 10 PRO HA 1 14 LEU H . . 5.210 4.719 3.891 5.242 0.032 1 0 "[ . 1 . 2]" 1
52 1 10 PRO QD 1 11 GLU H . . 3.870 2.981 2.792 3.116 . 0 0 "[ . 1 . 2]" 1
53 1 10 PRO QD 1 12 GLN H . . 5.060 4.787 4.564 4.982 . 0 0 "[ . 1 . 2]" 1
54 1 11 GLU H 1 11 GLU QB . . 3.020 2.548 2.411 2.807 . 0 0 "[ . 1 . 2]" 1
55 1 11 GLU H 1 11 GLU QG . . 3.420 2.329 2.107 2.688 . 0 0 "[ . 1 . 2]" 1
56 1 11 GLU H 1 12 GLN H . . 3.870 2.722 2.350 2.940 . 0 0 "[ . 1 . 2]" 1
57 1 11 GLU H 1 13 GLU H . . 4.750 4.423 4.298 4.608 . 0 0 "[ . 1 . 2]" 1
58 1 11 GLU H 1 14 LEU QB . . 5.340 5.378 5.349 5.419 0.079 11 0 "[ . 1 . 2]" 1
59 1 11 GLU H 1 14 LEU QD . . 4.600 4.137 3.522 4.527 . 0 0 "[ . 1 . 2]" 1
60 1 11 GLU H 1 14 LEU HG . . 5.210 4.739 4.527 5.038 . 0 0 "[ . 1 . 2]" 1
61 1 11 GLU HA 1 14 LEU QB . . 4.160 3.081 2.590 4.035 . 0 0 "[ . 1 . 2]" 1
62 1 11 GLU HA 1 14 LEU QD . . 3.250 2.381 2.113 2.551 . 0 0 "[ . 1 . 2]" 1
63 1 11 GLU HA 1 14 LEU HG . . 4.060 2.345 2.131 2.502 . 0 0 "[ . 1 . 2]" 1
64 1 11 GLU QB 1 12 GLN H . . 3.690 3.725 3.572 3.791 0.101 12 0 "[ . 1 . 2]" 1
65 1 11 GLU QB 1 14 LEU HG . . 4.060 4.002 3.629 4.119 0.059 13 0 "[ . 1 . 2]" 1
66 1 11 GLU QG 1 12 GLN H . . 4.050 2.658 2.359 2.821 . 0 0 "[ . 1 . 2]" 1
67 1 11 GLU QG 1 15 ARG QD . . 4.290 4.131 3.469 4.318 0.028 1 0 "[ . 1 . 2]" 1
68 1 12 GLN H 1 12 GLN QB . . 3.110 2.271 1.978 2.475 . 0 0 "[ . 1 . 2]" 1
69 1 12 GLN H 1 12 GLN QG . . 3.500 3.039 2.597 3.864 0.364 13 0 "[ . 1 . 2]" 1
70 1 12 GLN H 1 14 LEU QD . . 5.130 4.960 4.624 5.127 . 0 0 "[ . 1 . 2]" 1
71 1 12 GLN H 1 14 LEU HG . . 4.950 4.944 4.659 5.028 0.078 15 0 "[ . 1 . 2]" 1
72 1 12 GLN HA 1 12 GLN QG . . 3.880 3.458 3.051 3.564 . 0 0 "[ . 1 . 2]" 1
73 1 12 GLN HA 1 15 ARG H . . 4.390 4.190 3.865 4.386 . 0 0 "[ . 1 . 2]" 1
74 1 12 GLN HA 1 15 ARG QD . . 4.220 2.235 2.064 2.446 . 0 0 "[ . 1 . 2]" 1
75 1 12 GLN QB 1 15 ARG QD . . 4.050 3.470 3.245 3.872 . 0 0 "[ . 1 . 2]" 1
76 1 12 GLN QE 1 13 GLU HA . . 4.510 2.318 2.142 2.561 . 0 0 "[ . 1 . 2]" 1
77 1 12 GLN QE 1 16 LEU H . . 4.940 4.885 4.672 4.993 0.053 8 0 "[ . 1 . 2]" 1
78 1 12 GLN QE 1 17 GLN HE21 . . 3.740 3.801 3.771 3.848 0.108 2 0 "[ . 1 . 2]" 1
79 1 12 GLN QE 1 17 GLN HE22 . . 3.970 4.078 4.021 4.107 0.137 3 0 "[ . 1 . 2]" 1
80 1 12 GLN HE21 1 17 GLN HE22 . . 4.620 4.649 4.580 4.691 0.071 20 0 "[ . 1 . 2]" 1
81 1 12 GLN HE22 1 17 GLN HE22 . . 4.620 4.516 4.384 4.625 0.005 9 0 "[ . 1 . 2]" 1
82 1 12 GLN QG 1 13 GLU H . . 3.800 2.687 2.267 3.833 0.033 5 0 "[ . 1 . 2]" 1
83 1 12 GLN QG 1 15 ARG QD . . 4.770 4.686 3.872 4.886 0.116 19 0 "[ . 1 . 2]" 1
84 1 12 GLN QG 1 16 LEU MD2 . . 4.480 4.162 3.246 4.477 . 0 0 "[ . 1 . 2]" 1
85 1 13 GLU H 1 13 GLU QB . . 3.040 2.965 2.837 3.122 0.082 8 0 "[ . 1 . 2]" 1
86 1 13 GLU H 1 13 GLU QG . . 2.990 2.062 1.839 2.385 . 0 0 "[ . 1 . 2]" 1
87 1 13 GLU H 1 14 LEU QB . . 4.630 4.561 4.471 4.655 0.025 1 0 "[ . 1 . 2]" 1
88 1 13 GLU H 1 14 LEU HG . . 4.420 4.060 3.885 4.440 0.020 8 0 "[ . 1 . 2]" 1
89 1 13 GLU H 1 15 ARG H . . 4.590 3.983 3.846 4.124 . 0 0 "[ . 1 . 2]" 1
90 1 13 GLU H 1 16 LEU MD2 . . 4.630 4.615 4.528 4.656 0.026 16 0 "[ . 1 . 2]" 1
91 1 13 GLU H 1 17 GLN HE21 . . 5.410 4.785 4.709 4.916 . 0 0 "[ . 1 . 2]" 1
92 1 13 GLU HA 1 13 GLU QG . . 3.630 3.391 3.358 3.516 . 0 0 "[ . 1 . 2]" 1
93 1 13 GLU HA 1 15 ARG H . . 3.940 3.770 3.618 3.968 0.028 8 0 "[ . 1 . 2]" 1
94 1 13 GLU HA 1 15 ARG QD . . 4.880 4.881 4.609 4.978 0.098 12 0 "[ . 1 . 2]" 1
95 1 13 GLU HA 1 16 LEU H . . 3.310 3.294 3.220 3.362 0.052 1 0 "[ . 1 . 2]" 1
96 1 13 GLU HA 1 16 LEU MD2 . . 3.540 2.462 2.373 2.552 . 0 0 "[ . 1 . 2]" 1
97 1 13 GLU HA 1 16 LEU HG . . 4.390 2.630 2.541 2.760 . 0 0 "[ . 1 . 2]" 1
98 1 13 GLU HA 1 17 GLN H . . 4.120 3.758 3.671 3.878 . 0 0 "[ . 1 . 2]" 1
99 1 13 GLU HA 1 17 GLN HE21 . . 4.250 2.367 2.254 2.524 . 0 0 "[ . 1 . 2]" 1
100 1 13 GLU HA 1 17 GLN HE22 . . 4.410 3.502 3.371 3.753 . 0 0 "[ . 1 . 2]" 1
101 1 13 GLU QB 1 14 LEU H . . 3.300 3.280 2.957 3.335 0.035 6 0 "[ . 1 . 2]" 1
102 1 13 GLU QB 1 15 ARG H . . 4.430 4.627 4.546 4.669 0.239 17 0 "[ . 1 . 2]" 1
103 1 13 GLU QB 1 16 LEU MD2 . . 3.830 3.381 3.240 3.574 . 0 0 "[ . 1 . 2]" 1
104 1 13 GLU QB 1 16 LEU HG . . 4.430 3.681 3.568 3.781 . 0 0 "[ . 1 . 2]" 1
105 1 13 GLU QB 1 17 GLN HE21 . . 4.090 1.883 1.668 2.017 . 0 0 "[ . 1 . 2]" 1
106 1 13 GLU QB 1 17 GLN HE22 . . 4.190 2.965 2.867 3.047 . 0 0 "[ . 1 . 2]" 1
107 1 13 GLU QG 1 14 LEU H . . 3.600 2.299 2.021 2.637 . 0 0 "[ . 1 . 2]" 1
108 1 13 GLU QG 1 14 LEU HA . . 4.150 3.923 3.746 4.279 0.129 8 0 "[ . 1 . 2]" 1
109 1 13 GLU QG 1 14 LEU QB . . 5.100 3.894 3.261 4.317 . 0 0 "[ . 1 . 2]" 1
110 1 14 LEU H 1 14 LEU QB . . 2.990 2.471 2.259 2.600 . 0 0 "[ . 1 . 2]" 1
111 1 14 LEU H 1 14 LEU QD . . 3.640 2.929 2.750 3.230 . 0 0 "[ . 1 . 2]" 1
112 1 14 LEU H 1 14 LEU HG . . 2.970 2.261 2.029 2.745 . 0 0 "[ . 1 . 2]" 1
113 1 14 LEU H 1 17 GLN HE21 . . 5.500 4.463 4.370 4.592 . 0 0 "[ . 1 . 2]" 1
114 1 14 LEU HA 1 17 GLN H . . 4.720 3.601 3.414 3.861 . 0 0 "[ . 1 . 2]" 1
115 1 14 LEU QB 1 14 LEU QD . . 2.810 1.961 1.916 1.989 . 0 0 "[ . 1 . 2]" 1
116 1 14 LEU HG 1 15 ARG H . . 4.390 3.869 2.637 4.475 0.085 6 0 "[ . 1 . 2]" 1
117 1 15 ARG H 1 15 ARG QB . . 2.940 2.549 2.393 2.653 . 0 0 "[ . 1 . 2]" 1
118 1 15 ARG H 1 15 ARG QD . . 3.950 3.489 2.436 3.762 . 0 0 "[ . 1 . 2]" 1
119 1 15 ARG H 1 17 GLN QG . . 4.650 4.663 4.561 4.709 0.059 5 0 "[ . 1 . 2]" 1
120 1 15 ARG HA 1 15 ARG QD . . 4.550 4.452 3.780 4.580 0.030 18 0 "[ . 1 . 2]" 1
121 1 15 ARG QB 1 15 ARG QD . . 3.330 2.315 2.111 2.428 . 0 0 "[ . 1 . 2]" 1
122 1 15 ARG QD 1 16 LEU H . . 3.830 3.900 3.858 3.936 0.106 17 0 "[ . 1 . 2]" 1
123 1 15 ARG QD 1 16 LEU MD2 . . 4.620 4.226 3.886 4.642 0.022 6 0 "[ . 1 . 2]" 1
124 1 15 ARG QG 1 110 ALA MB . . 4.450 4.385 3.956 4.536 0.086 15 0 "[ . 1 . 2]" 1
125 1 16 LEU H 1 16 LEU MD1 . . 4.160 4.045 3.965 4.117 . 0 0 "[ . 1 . 2]" 1
126 1 16 LEU H 1 16 LEU MD2 . . 4.010 3.241 2.967 3.407 . 0 0 "[ . 1 . 2]" 1
127 1 16 LEU H 1 16 LEU HG . . 2.800 2.635 2.460 2.779 . 0 0 "[ . 1 . 2]" 1
128 1 16 LEU H 1 17 GLN HE21 . . 4.610 4.060 3.815 4.359 . 0 0 "[ . 1 . 2]" 1
129 1 16 LEU H 1 17 GLN HE22 . . 5.300 5.176 5.052 5.323 0.023 8 0 "[ . 1 . 2]" 1
130 1 16 LEU H 1 17 GLN QG . . 4.480 4.479 4.300 4.546 0.066 11 0 "[ . 1 . 2]" 1
131 1 16 LEU H 1 19 LEU H . . 5.500 4.752 4.560 4.937 . 0 0 "[ . 1 . 2]" 1
132 1 16 LEU HA 1 16 LEU MD1 . . 3.780 3.537 3.481 3.624 . 0 0 "[ . 1 . 2]" 1
133 1 16 LEU HA 1 19 LEU MD1 . . 4.090 2.919 2.486 4.241 0.151 14 0 "[ . 1 . 2]" 1
134 1 16 LEU HA 1 19 LEU MD2 . . 4.090 2.621 1.955 2.984 . 0 0 "[ . 1 . 2]" 1
135 1 16 LEU HA 1 111 GLU QG . . 3.540 3.252 2.543 3.546 0.006 6 0 "[ . 1 . 2]" 1
136 1 16 LEU QB 1 16 LEU MD1 . . 3.040 2.200 2.151 2.232 . 0 0 "[ . 1 . 2]" 1
137 1 16 LEU QB 1 16 LEU MD2 . . 3.260 2.110 2.091 2.123 . 0 0 "[ . 1 . 2]" 1
138 1 16 LEU QB 1 17 GLN HE21 . . 4.890 4.542 4.399 4.713 . 0 0 "[ . 1 . 2]" 1
139 1 16 LEU MD1 1 17 GLN H . . 3.290 3.300 3.230 3.325 0.035 3 0 "[ . 1 . 2]" 1
140 1 16 LEU MD1 1 17 GLN HA . . 3.750 3.001 2.866 3.110 . 0 0 "[ . 1 . 2]" 1
141 1 16 LEU MD1 1 17 GLN QG . . 4.240 4.092 3.967 4.165 . 0 0 "[ . 1 . 2]" 1
142 1 16 LEU MD1 1 20 GLU QG . . 4.300 3.164 2.604 3.735 . 0 0 "[ . 1 . 2]" 1
143 1 16 LEU MD2 1 17 GLN HE21 . . 4.260 3.165 3.079 3.250 . 0 0 "[ . 1 . 2]" 1
144 1 16 LEU MD2 1 17 GLN HE22 . . 4.190 2.848 2.638 3.042 . 0 0 "[ . 1 . 2]" 1
145 1 16 LEU MD2 1 17 GLN QG . . 5.150 4.664 4.494 4.802 . 0 0 "[ . 1 . 2]" 1
146 1 16 LEU HG 1 17 GLN H . . 3.140 2.397 2.317 2.480 . 0 0 "[ . 1 . 2]" 1
147 1 16 LEU HG 1 17 GLN HA . . 4.230 4.002 3.879 4.154 . 0 0 "[ . 1 . 2]" 1
148 1 16 LEU HG 1 19 LEU H . . 5.500 5.605 5.575 5.663 0.163 14 0 "[ . 1 . 2]" 1
149 1 17 GLN H 1 17 GLN HE21 . . 4.080 2.883 2.673 3.180 . 0 0 "[ . 1 . 2]" 1
150 1 17 GLN H 1 17 GLN HE22 . . 4.140 3.947 3.864 4.073 . 0 0 "[ . 1 . 2]" 1
151 1 17 GLN H 1 19 LEU H . . 4.240 4.078 3.978 4.174 . 0 0 "[ . 1 . 2]" 1
152 1 17 GLN HA 1 18 ARG HA . . 4.910 4.819 4.751 4.895 . 0 0 "[ . 1 . 2]" 1
153 1 17 GLN HA 1 19 LEU QB . . 5.260 5.118 4.966 5.316 0.056 14 0 "[ . 1 . 2]" 1
154 1 17 GLN HA 1 21 ARG H . . 5.090 4.178 3.872 5.033 . 0 0 "[ . 1 . 2]" 1
155 1 17 GLN QB 1 18 ARG H . . 3.770 2.443 2.330 2.738 . 0 0 "[ . 1 . 2]" 1
156 1 17 GLN QB 1 18 ARG QB . . 4.750 3.953 3.805 4.180 . 0 0 "[ . 1 . 2]" 1
157 1 18 ARG H 1 18 ARG QB . . 2.960 2.382 2.198 2.653 . 0 0 "[ . 1 . 2]" 1
158 1 18 ARG H 1 18 ARG QD . . 4.780 4.246 3.421 4.765 . 0 0 "[ . 1 . 2]" 1
159 1 18 ARG H 1 18 ARG QG . . 4.450 2.938 2.160 3.991 . 0 0 "[ . 1 . 2]" 1
160 1 18 ARG H 1 19 LEU H . . 3.560 2.826 2.707 2.944 . 0 0 "[ . 1 . 2]" 1
161 1 18 ARG HA 1 18 ARG QG . . 3.750 3.066 2.414 3.457 . 0 0 "[ . 1 . 2]" 1
162 1 18 ARG QB 1 19 LEU H . . 3.370 3.246 2.633 3.601 0.231 14 0 "[ . 1 . 2]" 1
163 1 18 ARG QB 1 19 LEU HA . . 4.850 4.465 4.295 4.637 . 0 0 "[ . 1 . 2]" 1
164 1 18 ARG QD 1 19 LEU H . . 5.120 4.499 3.180 5.199 0.079 13 0 "[ . 1 . 2]" 1
165 1 18 ARG QG 1 19 LEU HA . . 3.910 3.571 3.326 3.993 0.083 5 0 "[ . 1 . 2]" 1
166 1 18 ARG QG 1 19 LEU QB . . 4.190 3.624 3.165 4.262 0.072 16 0 "[ . 1 . 2]" 1
167 1 19 LEU H 1 19 LEU QB . . 3.400 2.061 2.000 2.126 . 0 0 "[ . 1 . 2]" 1
168 1 19 LEU H 1 19 LEU MD1 . . 4.650 4.182 4.059 4.314 . 0 0 "[ . 1 . 2]" 1
169 1 19 LEU H 1 19 LEU QD . . 3.350 3.376 3.268 3.444 0.094 14 0 "[ . 1 . 2]" 1
170 1 19 LEU H 1 19 LEU MD2 . . 4.650 3.567 3.388 3.645 . 0 0 "[ . 1 . 2]" 1
171 1 19 LEU H 1 20 GLU H . . 3.540 2.860 2.786 2.960 . 0 0 "[ . 1 . 2]" 1
172 1 19 LEU H 1 20 GLU QG . . 5.180 4.406 4.280 4.745 . 0 0 "[ . 1 . 2]" 1
173 1 19 LEU H 1 21 ARG H . . 4.510 4.117 3.975 4.363 . 0 0 "[ . 1 . 2]" 1
174 1 19 LEU HA 1 19 LEU MD1 . . 4.130 3.789 3.368 3.869 . 0 0 "[ . 1 . 2]" 1
175 1 19 LEU HA 1 19 LEU QD . . 3.610 3.343 3.227 3.381 . 0 0 "[ . 1 . 2]" 1
176 1 19 LEU HA 1 19 LEU MD2 . . 4.130 3.736 3.613 4.131 0.001 14 0 "[ . 1 . 2]" 1
177 1 19 LEU HA 1 22 LEU HB2 . . 4.430 3.244 2.954 3.560 . 0 0 "[ . 1 . 2]" 1
178 1 19 LEU HA 1 23 PRO QD . . 4.490 3.550 3.459 3.933 . 0 0 "[ . 1 . 2]" 1
179 1 19 LEU QB 1 19 LEU QD . . 2.630 1.903 1.880 1.929 . 0 0 "[ . 1 . 2]" 1
180 1 19 LEU QB 1 20 GLU H . . 3.570 3.201 3.059 3.421 . 0 0 "[ . 1 . 2]" 1
181 1 19 LEU QB 1 21 ARG H . . 5.330 4.957 4.861 5.096 . 0 0 "[ . 1 . 2]" 1
182 1 19 LEU QB 1 23 PRO HG3 . . 5.500 5.575 5.530 5.614 0.114 6 0 "[ . 1 . 2]" 1
183 1 19 LEU QB 1 108 VAL H . . 5.170 5.051 4.926 5.173 0.003 3 0 "[ . 1 . 2]" 1
184 1 19 LEU QB 1 108 VAL HA . . 4.420 2.558 2.388 2.830 . 0 0 "[ . 1 . 2]" 1
185 1 19 LEU QB 1 108 VAL MG1 . . 3.940 3.360 2.969 3.872 . 0 0 "[ . 1 . 2]" 1
186 1 19 LEU QB 1 108 VAL MG2 . . 3.940 3.516 2.981 3.909 . 0 0 "[ . 1 . 2]" 1
187 1 19 LEU QB 1 110 ALA H . . 5.220 4.940 4.702 5.174 . 0 0 "[ . 1 . 2]" 1
188 1 19 LEU QB 1 110 ALA MB . . 4.270 4.010 3.654 4.322 0.052 5 0 "[ . 1 . 2]" 1
189 1 19 LEU QB 1 111 GLU H . . 4.290 4.010 3.617 4.258 . 0 0 "[ . 1 . 2]" 1
190 1 19 LEU QB 1 111 GLU QB . . 3.550 3.291 2.971 3.623 0.073 13 0 "[ . 1 . 2]" 1
191 1 19 LEU QD 1 20 GLU H . . 3.200 2.491 2.338 2.976 . 0 0 "[ . 1 . 2]" 1
192 1 19 LEU QD 1 20 GLU HA . . 4.440 2.879 2.432 3.236 . 0 0 "[ . 1 . 2]" 1
193 1 19 LEU QD 1 20 GLU QB . . 3.890 2.514 2.337 2.892 . 0 0 "[ . 1 . 2]" 1
194 1 19 LEU QD 1 21 ARG H . . 4.300 4.342 4.300 4.440 0.140 14 0 "[ . 1 . 2]" 1
195 1 19 LEU QD 1 21 ARG QG . . 5.280 5.400 5.361 5.441 0.161 14 0 "[ . 1 . 2]" 1
196 1 19 LEU QD 1 23 PRO QD . . 4.910 4.237 3.837 4.469 . 0 0 "[ . 1 . 2]" 1
197 1 19 LEU QD 1 23 PRO HG3 . . 4.590 4.157 3.534 4.535 . 0 0 "[ . 1 . 2]" 1
198 1 19 LEU QD 1 108 VAL HA . . 3.440 3.120 2.568 3.476 0.036 16 0 "[ . 1 . 2]" 1
199 1 19 LEU QD 1 110 ALA H . . 4.900 4.549 3.960 4.972 0.072 14 0 "[ . 1 . 2]" 1
200 1 19 LEU QD 1 110 ALA MB . . 4.440 4.071 3.406 4.359 . 0 0 "[ . 1 . 2]" 1
201 1 19 LEU QD 1 111 GLU H . . 3.720 2.982 2.532 3.577 . 0 0 "[ . 1 . 2]" 1
202 1 19 LEU QD 1 111 GLU QB . . 4.130 1.952 1.887 2.026 . 0 0 "[ . 1 . 2]" 1
203 1 19 LEU QD 1 111 GLU QG . . 3.450 2.998 2.250 3.401 . 0 0 "[ . 1 . 2]" 1
204 1 19 LEU QD 1 112 GLY H . . 4.280 3.034 2.715 3.643 . 0 0 "[ . 1 . 2]" 1
205 1 19 LEU QD 1 112 GLY QA . . 4.900 4.090 3.540 4.461 . 0 0 "[ . 1 . 2]" 1
206 1 19 LEU MD1 1 111 GLU QG . . 4.330 3.194 2.393 4.357 0.027 14 0 "[ . 1 . 2]" 1
207 1 19 LEU MD2 1 111 GLU QG . . 4.330 4.087 2.258 4.378 0.048 11 0 "[ . 1 . 2]" 1
208 1 19 LEU HG 1 108 VAL HB . . 4.580 3.685 2.436 4.737 0.157 3 0 "[ . 1 . 2]" 1
209 1 19 LEU HG 1 111 GLU QB . . 4.790 4.538 4.332 4.856 0.066 6 0 "[ . 1 . 2]" 1
210 1 20 GLU H 1 20 GLU QB . . 2.840 2.789 2.580 2.862 0.022 2 0 "[ . 1 . 2]" 1
211 1 20 GLU H 1 20 GLU HG2 . . 3.860 2.464 2.213 3.528 . 0 0 "[ . 1 . 2]" 1
212 1 20 GLU H 1 20 GLU QG . . 3.120 2.273 2.156 2.608 . 0 0 "[ . 1 . 2]" 1
213 1 20 GLU H 1 20 GLU HG3 . . 3.860 3.004 2.276 3.355 . 0 0 "[ . 1 . 2]" 1
214 1 20 GLU H 1 21 ARG H . . 3.370 2.358 2.253 2.522 . 0 0 "[ . 1 . 2]" 1
215 1 20 GLU H 1 21 ARG HA . . 5.490 5.072 4.991 5.215 . 0 0 "[ . 1 . 2]" 1
216 1 20 GLU H 1 21 ARG QG . . 4.270 3.913 3.744 4.075 . 0 0 "[ . 1 . 2]" 1
217 1 20 GLU H 1 23 PRO HG3 . . 5.180 5.282 5.255 5.333 0.153 4 0 "[ . 1 . 2]" 1
218 1 20 GLU QB 1 21 ARG H . . 4.490 3.628 3.563 3.799 . 0 0 "[ . 1 . 2]" 1
219 1 20 GLU QG 1 21 ARG HA . . 4.480 3.687 3.506 4.443 . 0 0 "[ . 1 . 2]" 1
220 1 20 GLU QG 1 21 ARG QB . . 4.290 3.978 3.719 4.171 . 0 0 "[ . 1 . 2]" 1
221 1 20 GLU QG 1 21 ARG QD . . 4.580 4.014 3.394 4.602 0.022 4 0 "[ . 1 . 2]" 1
222 1 21 ARG H 1 21 ARG QB . . 3.470 2.391 2.292 2.526 . 0 0 "[ . 1 . 2]" 1
223 1 21 ARG H 1 21 ARG HD2 . . 4.950 4.858 3.769 5.085 0.135 15 0 "[ . 1 . 2]" 1
224 1 21 ARG H 1 21 ARG QD . . 4.360 4.038 3.620 4.376 0.016 14 0 "[ . 1 . 2]" 1
225 1 21 ARG H 1 21 ARG HD3 . . 4.950 4.359 3.845 4.872 . 0 0 "[ . 1 . 2]" 1
226 1 21 ARG H 1 21 ARG QG . . 2.950 2.310 2.234 2.529 . 0 0 "[ . 1 . 2]" 1
227 1 21 ARG H 1 22 LEU H . . 3.500 2.747 2.442 2.904 . 0 0 "[ . 1 . 2]" 1
228 1 21 ARG H 1 22 LEU HA . . 5.500 5.352 5.103 5.462 . 0 0 "[ . 1 . 2]" 1
229 1 21 ARG H 1 22 LEU HG . . 5.500 5.119 4.848 5.608 0.108 15 0 "[ . 1 . 2]" 1
230 1 21 ARG H 1 23 PRO QD . . 3.990 3.415 3.114 3.580 . 0 0 "[ . 1 . 2]" 1
231 1 21 ARG H 1 24 GLU H . . 4.950 4.859 4.793 4.995 0.045 4 0 "[ . 1 . 2]" 1
232 1 21 ARG H 1 25 LEU H . . 5.500 5.599 5.558 5.644 0.144 14 0 "[ . 1 . 2]" 1
233 1 21 ARG HA 1 24 GLU H . . 4.040 3.692 3.533 3.906 . 0 0 "[ . 1 . 2]" 1
234 1 21 ARG HA 1 24 GLU QB . . 3.600 2.487 2.303 2.705 . 0 0 "[ . 1 . 2]" 1
235 1 21 ARG HA 1 25 LEU H . . 4.680 3.251 3.048 3.425 . 0 0 "[ . 1 . 2]" 1
236 1 21 ARG QB 1 22 LEU H . . 3.780 2.528 2.404 3.596 . 0 0 "[ . 1 . 2]" 1
237 1 21 ARG QD 1 58 LEU MD1 . . 4.340 2.501 2.056 3.388 . 0 0 "[ . 1 . 2]" 1
238 1 21 ARG QD 1 58 LEU MD2 . . 4.260 2.645 1.987 3.350 . 0 0 "[ . 1 . 2]" 1
239 1 21 ARG QG 1 22 LEU H . . 4.020 4.000 2.215 4.142 0.122 9 0 "[ . 1 . 2]" 1
240 1 22 LEU H 1 22 LEU HB2 . . 3.440 2.301 2.160 2.424 . 0 0 "[ . 1 . 2]" 1
241 1 22 LEU H 1 22 LEU QD . . 3.890 3.139 2.165 3.318 . 0 0 "[ . 1 . 2]" 1
242 1 22 LEU H 1 23 PRO QD . . 3.460 2.520 2.467 2.568 . 0 0 "[ . 1 . 2]" 1
243 1 22 LEU H 1 25 LEU H . . 4.880 4.808 4.746 4.864 . 0 0 "[ . 1 . 2]" 1
244 1 22 LEU H 1 25 LEU HB2 . . 4.840 4.860 4.672 4.936 0.096 11 0 "[ . 1 . 2]" 1
245 1 22 LEU HA 1 22 LEU QD . . 4.130 2.103 2.025 2.162 . 0 0 "[ . 1 . 2]" 1
246 1 22 LEU HA 1 22 LEU HG . . 3.950 2.847 2.637 3.703 . 0 0 "[ . 1 . 2]" 1
247 1 22 LEU HA 1 25 LEU H . . 4.600 4.162 3.985 4.356 . 0 0 "[ . 1 . 2]" 1
248 1 22 LEU HA 1 70 LEU QD . . 4.670 2.964 2.615 3.308 . 0 0 "[ . 1 . 2]" 1
249 1 22 LEU HA 1 104 LEU MD1 . . 4.610 3.715 3.162 4.321 . 0 0 "[ . 1 . 2]" 1
250 1 22 LEU HA 1 104 LEU QD . . 3.860 3.381 3.069 3.772 . 0 0 "[ . 1 . 2]" 1
251 1 22 LEU HA 1 104 LEU MD2 . . 4.610 4.082 3.499 4.515 . 0 0 "[ . 1 . 2]" 1
252 1 22 LEU HB2 1 23 PRO QD . . 3.660 2.158 2.082 2.209 . 0 0 "[ . 1 . 2]" 1
253 1 22 LEU HB2 1 104 LEU MD1 . . 4.180 3.569 2.899 4.123 . 0 0 "[ . 1 . 2]" 1
254 1 22 LEU HB2 1 104 LEU QD . . 3.510 3.120 2.730 3.402 . 0 0 "[ . 1 . 2]" 1
255 1 22 LEU HB2 1 104 LEU MD2 . . 4.180 3.640 3.109 4.205 0.025 13 0 "[ . 1 . 2]" 1
256 1 22 LEU HB2 1 108 VAL QG . . 3.630 2.994 2.501 3.640 0.010 13 0 "[ . 1 . 2]" 1
257 1 22 LEU HB3 1 23 PRO QD . . 4.250 2.733 2.513 2.969 . 0 0 "[ . 1 . 2]" 1
258 1 22 LEU HB3 1 70 LEU QD . . 4.220 3.664 3.209 4.077 . 0 0 "[ . 1 . 2]" 1
259 1 22 LEU HB3 1 104 LEU QD . . 3.390 2.025 1.919 2.158 . 0 0 "[ . 1 . 2]" 1
260 1 22 LEU HB3 1 108 VAL QG . . 3.730 3.435 2.825 3.794 0.064 11 0 "[ . 1 . 2]" 1
261 1 22 LEU QD 1 66 HIS HA . . 4.550 4.028 3.629 4.295 . 0 0 "[ . 1 . 2]" 1
262 1 22 LEU QD 1 66 HIS QB . . 5.220 4.229 3.828 4.899 . 0 0 "[ . 1 . 2]" 1
263 1 22 LEU QD 1 69 LEU QD . . 3.110 2.004 1.824 2.380 . 0 0 "[ . 1 . 2]" 1
264 1 22 LEU QD 1 70 LEU H . . 4.380 3.763 3.458 4.276 . 0 0 "[ . 1 . 2]" 1
265 1 22 LEU QD 1 70 LEU HA . . 3.700 3.164 2.858 3.597 . 0 0 "[ . 1 . 2]" 1
266 1 22 LEU QD 1 70 LEU HB3 . . 5.130 4.702 4.288 5.078 . 0 0 "[ . 1 . 2]" 1
267 1 22 LEU QD 1 73 LEU HB2 . . 5.140 4.068 3.748 4.485 . 0 0 "[ . 1 . 2]" 1
268 1 22 LEU QD 1 73 LEU QD . . 3.340 2.109 1.890 2.763 . 0 0 "[ . 1 . 2]" 1
269 1 22 LEU QD 1 104 LEU QB . . 4.790 3.979 3.767 4.398 . 0 0 "[ . 1 . 2]" 1
270 1 22 LEU QD 1 104 LEU QD . . 2.380 2.048 1.831 2.382 0.002 2 0 "[ . 1 . 2]" 1
271 1 22 LEU HG 1 73 LEU QD . . 5.280 4.274 3.564 5.099 . 0 0 "[ . 1 . 2]" 1
272 1 23 PRO HA 1 26 ALA MB . . 4.390 2.570 2.402 2.788 . 0 0 "[ . 1 . 2]" 1
273 1 23 PRO HA 1 101 THR MG . . 4.750 4.475 4.203 4.699 . 0 0 "[ . 1 . 2]" 1
274 1 23 PRO HA 1 104 LEU QD . . 3.820 2.878 2.664 3.305 . 0 0 "[ . 1 . 2]" 1
275 1 23 PRO HB2 1 24 GLU H . . 3.060 3.169 3.150 3.197 0.137 14 0 "[ . 1 . 2]" 1
276 1 23 PRO HB3 1 104 LEU QD . . 4.330 3.391 2.811 4.262 . 0 0 "[ . 1 . 2]" 1
277 1 23 PRO QD 1 24 GLU H . . 3.380 2.795 2.703 2.863 . 0 0 "[ . 1 . 2]" 1
278 1 23 PRO QD 1 25 LEU H . . 4.390 4.423 4.400 4.447 0.057 2 0 "[ . 1 . 2]" 1
279 1 23 PRO QD 1 26 ALA H . . 5.440 5.031 4.896 5.113 . 0 0 "[ . 1 . 2]" 1
280 1 23 PRO QD 1 104 LEU MD1 . . 4.520 3.814 2.401 4.542 0.022 20 0 "[ . 1 . 2]" 1
281 1 23 PRO QD 1 104 LEU QD . . 3.920 2.939 2.381 3.592 . 0 0 "[ . 1 . 2]" 1
282 1 23 PRO QD 1 104 LEU MD2 . . 4.520 3.211 2.599 4.008 . 0 0 "[ . 1 . 2]" 1
283 1 23 PRO QD 1 108 VAL MG1 . . 5.500 3.437 2.182 4.698 . 0 0 "[ . 1 . 2]" 1
284 1 23 PRO QD 1 108 VAL QG . . 3.970 2.536 2.172 2.850 . 0 0 "[ . 1 . 2]" 1
285 1 23 PRO QD 1 108 VAL MG2 . . 5.500 3.384 2.667 4.148 . 0 0 "[ . 1 . 2]" 1
286 1 23 PRO HG2 1 24 GLU H . . 3.390 2.235 2.128 2.351 . 0 0 "[ . 1 . 2]" 1
287 1 23 PRO HG2 1 24 GLU QB . . 4.090 3.662 3.483 3.869 . 0 0 "[ . 1 . 2]" 1
288 1 23 PRO HG3 1 108 VAL QG . . 4.580 3.083 2.859 3.362 . 0 0 "[ . 1 . 2]" 1
289 1 24 GLU H 1 24 GLU QB . . 2.700 2.298 2.252 2.365 . 0 0 "[ . 1 . 2]" 1
290 1 24 GLU H 1 24 GLU QG . . 4.170 4.063 4.013 4.164 . 0 0 "[ . 1 . 2]" 1
291 1 24 GLU H 1 25 LEU H . . 3.220 2.886 2.823 2.932 . 0 0 "[ . 1 . 2]" 1
292 1 24 GLU H 1 25 LEU HB2 . . 4.910 4.870 4.692 4.932 0.022 11 0 "[ . 1 . 2]" 1
293 1 24 GLU H 1 26 ALA H . . 3.960 3.963 3.881 4.015 0.055 14 0 "[ . 1 . 2]" 1
294 1 24 GLU H 1 26 ALA MB . . 4.790 4.707 4.565 4.791 0.001 15 0 "[ . 1 . 2]" 1
295 1 24 GLU H 1 27 ARG H . . 5.420 5.058 4.818 5.280 . 0 0 "[ . 1 . 2]" 1
296 1 24 GLU HA 1 24 GLU QG . . 3.380 2.578 2.271 2.915 . 0 0 "[ . 1 . 2]" 1
297 1 24 GLU HA 1 27 ARG H . . 3.710 3.492 3.336 3.713 0.003 8 0 "[ . 1 . 2]" 1
298 1 24 GLU HA 1 28 VAL H . . 4.760 4.399 4.105 4.763 0.003 14 0 "[ . 1 . 2]" 1
299 1 24 GLU QB 1 25 LEU H . . 3.120 2.283 2.160 2.387 . 0 0 "[ . 1 . 2]" 1
300 1 24 GLU QB 1 25 LEU HA . . 4.740 4.145 3.893 4.235 . 0 0 "[ . 1 . 2]" 1
301 1 24 GLU QB 1 25 LEU HB2 . . 4.430 4.388 4.139 4.465 0.035 19 0 "[ . 1 . 2]" 1
302 1 24 GLU QB 1 25 LEU QD . . 3.490 2.942 2.747 3.562 0.072 14 0 "[ . 1 . 2]" 1
303 1 24 GLU QB 1 26 ALA H . . 4.440 4.480 4.456 4.519 0.079 7 0 "[ . 1 . 2]" 1
304 1 24 GLU QG 1 25 LEU H . . 3.560 3.346 3.242 3.530 . 0 0 "[ . 1 . 2]" 1
305 1 24 GLU QG 1 25 LEU QD . . 4.080 2.886 2.631 3.471 . 0 0 "[ . 1 . 2]" 1
306 1 24 GLU QG 1 26 ALA H . . 4.900 4.981 4.924 5.037 0.137 16 0 "[ . 1 . 2]" 1
307 1 24 GLU QG 1 28 VAL H . . 4.410 4.143 3.866 4.301 . 0 0 "[ . 1 . 2]" 1
308 1 24 GLU QG 1 28 VAL MG2 . . 3.650 3.363 3.039 3.662 0.012 14 0 "[ . 1 . 2]" 1
309 1 25 LEU H 1 25 LEU HB2 . . 3.570 2.374 2.264 2.474 . 0 0 "[ . 1 . 2]" 1
310 1 25 LEU H 1 25 LEU HB3 . . 3.620 3.593 3.405 3.633 0.013 11 0 "[ . 1 . 2]" 1
311 1 25 LEU H 1 25 LEU MD1 . . 4.380 3.970 3.002 4.177 . 0 0 "[ . 1 . 2]" 1
312 1 25 LEU H 1 25 LEU QD . . 3.250 2.477 2.309 3.150 . 0 0 "[ . 1 . 2]" 1
313 1 25 LEU H 1 25 LEU MD2 . . 4.380 2.575 2.323 4.292 . 0 0 "[ . 1 . 2]" 1
314 1 25 LEU H 1 26 ALA H . . 3.510 2.809 2.786 2.835 . 0 0 "[ . 1 . 2]" 1
315 1 25 LEU H 1 26 ALA MB . . 4.700 4.565 4.523 4.618 . 0 0 "[ . 1 . 2]" 1
316 1 25 LEU H 1 27 ARG H . . 4.470 4.446 4.337 4.513 0.043 5 0 "[ . 1 . 2]" 1
317 1 25 LEU H 1 28 VAL MG1 . . 4.490 4.561 4.503 4.600 0.110 16 0 "[ . 1 . 2]" 1
318 1 25 LEU HA 1 25 LEU MD1 . . 4.240 2.326 2.054 3.753 . 0 0 "[ . 1 . 2]" 1
319 1 25 LEU HA 1 25 LEU QD . . 3.170 2.002 1.951 2.218 . 0 0 "[ . 1 . 2]" 1
320 1 25 LEU HA 1 25 LEU MD2 . . 4.240 2.367 1.993 3.688 . 0 0 "[ . 1 . 2]" 1
321 1 25 LEU HA 1 26 ALA H . . 3.510 3.505 3.447 3.529 0.019 10 0 "[ . 1 . 2]" 1
322 1 25 LEU HA 1 28 VAL H . . 3.580 3.308 3.066 3.489 . 0 0 "[ . 1 . 2]" 1
323 1 25 LEU HA 1 28 VAL HB . . 5.130 4.746 4.572 4.805 . 0 0 "[ . 1 . 2]" 1
324 1 25 LEU HA 1 28 VAL MG2 . . 3.820 1.889 1.851 1.933 . 0 0 "[ . 1 . 2]" 1
325 1 25 LEU HA 1 29 LEU H . . 3.830 3.702 3.585 3.874 0.044 18 0 "[ . 1 . 2]" 1
326 1 25 LEU HA 1 29 LEU QD . . 4.430 3.365 3.136 3.514 . 0 0 "[ . 1 . 2]" 1
327 1 25 LEU HB2 1 28 VAL MG2 . . 4.320 4.369 4.120 4.418 0.098 17 0 "[ . 1 . 2]" 1
328 1 25 LEU HB2 1 29 LEU QD . . 3.840 3.793 3.584 3.895 0.055 20 0 "[ . 1 . 2]" 1
329 1 25 LEU HB3 1 25 LEU MD1 . . 3.330 2.312 2.220 3.224 . 0 0 "[ . 1 . 2]" 1
330 1 25 LEU HB3 1 25 LEU MD2 . . 3.330 3.143 2.257 3.285 . 0 0 "[ . 1 . 2]" 1
331 1 25 LEU HB3 1 26 ALA H . . 3.870 3.658 3.420 3.777 . 0 0 "[ . 1 . 2]" 1
332 1 25 LEU HB3 1 29 LEU H . . 4.980 4.626 4.354 4.995 0.015 18 0 "[ . 1 . 2]" 1
333 1 25 LEU HB3 1 29 LEU HB2 . . 4.940 4.501 4.236 4.650 . 0 0 "[ . 1 . 2]" 1
334 1 25 LEU HB3 1 29 LEU QD . . 3.570 2.419 2.235 2.593 . 0 0 "[ . 1 . 2]" 1
335 1 25 LEU QD 1 28 VAL H . . 4.720 4.287 4.149 4.568 . 0 0 "[ . 1 . 2]" 1
336 1 25 LEU QD 1 28 VAL HB . . 5.440 4.349 4.213 4.675 . 0 0 "[ . 1 . 2]" 1
337 1 25 LEU QD 1 28 VAL MG1 . . 3.460 3.432 3.224 3.518 0.058 20 0 "[ . 1 . 2]" 1
338 1 25 LEU QD 1 28 VAL MG2 . . 3.450 2.123 2.030 2.392 . 0 0 "[ . 1 . 2]" 1
339 1 25 LEU QD 1 29 LEU HB2 . . 4.600 4.600 4.400 4.707 0.107 11 0 "[ . 1 . 2]" 1
340 1 25 LEU QD 1 29 LEU QD . . 3.440 2.318 2.080 2.731 . 0 0 "[ . 1 . 2]" 1
341 1 25 LEU QD 1 54 CYS QB . . 4.270 3.675 3.298 4.037 . 0 0 "[ . 1 . 2]" 1
342 1 25 LEU QD 1 56 THR H . . 5.440 5.329 4.900 5.506 0.066 7 0 "[ . 1 . 2]" 1
343 1 25 LEU QD 1 67 LEU QD . . 3.690 3.200 2.839 3.499 . 0 0 "[ . 1 . 2]" 1
344 1 26 ALA H 1 26 ALA MB . . 2.920 2.318 2.300 2.344 . 0 0 "[ . 1 . 2]" 1
345 1 26 ALA H 1 27 ARG H . . 3.360 2.743 2.593 2.819 . 0 0 "[ . 1 . 2]" 1
346 1 26 ALA H 1 27 ARG QG . . 4.730 4.691 4.406 4.814 0.084 17 0 "[ . 1 . 2]" 1
347 1 26 ALA H 1 28 VAL H . . 4.380 4.177 4.069 4.263 . 0 0 "[ . 1 . 2]" 1
348 1 26 ALA H 1 29 LEU H . . 4.710 4.768 4.717 4.814 0.104 7 0 "[ . 1 . 2]" 1
349 1 26 ALA H 1 29 LEU QD . . 4.340 4.273 4.095 4.400 0.060 14 0 "[ . 1 . 2]" 1
350 1 26 ALA H 1 70 LEU QD . . 4.820 3.789 3.463 4.117 . 0 0 "[ . 1 . 2]" 1
351 1 26 ALA HA 1 70 LEU QD . . 5.050 3.352 3.003 3.703 . 0 0 "[ . 1 . 2]" 1
352 1 26 ALA MB 1 27 ARG H . . 3.150 2.805 2.623 2.972 . 0 0 "[ . 1 . 2]" 1
353 1 26 ALA MB 1 27 ARG HB3 . . 4.010 3.874 3.671 4.045 0.035 4 0 "[ . 1 . 2]" 1
354 1 26 ALA MB 1 27 ARG QG . . 5.020 4.603 4.316 4.896 . 0 0 "[ . 1 . 2]" 1
355 1 26 ALA MB 1 28 VAL H . . 4.680 4.685 4.607 4.725 0.045 9 0 "[ . 1 . 2]" 1
356 1 26 ALA MB 1 70 LEU QD . . 3.490 2.984 2.508 3.251 . 0 0 "[ . 1 . 2]" 1
357 1 26 ALA MB 1 97 LEU MD1 . . 4.390 3.259 2.182 4.159 . 0 0 "[ . 1 . 2]" 1
358 1 26 ALA MB 1 97 LEU QD . . 3.330 2.330 2.173 2.541 . 0 0 "[ . 1 . 2]" 1
359 1 26 ALA MB 1 97 LEU MD2 . . 4.390 2.626 2.182 4.314 . 0 0 "[ . 1 . 2]" 1
360 1 26 ALA MB 1 101 THR MG . . 3.890 3.932 3.905 3.962 0.072 6 0 "[ . 1 . 2]" 1
361 1 26 ALA MB 1 104 LEU QB . . 5.230 4.535 4.139 5.044 . 0 0 "[ . 1 . 2]" 1
362 1 26 ALA MB 1 104 LEU MD1 . . 4.710 3.698 2.736 4.734 0.024 20 0 "[ . 1 . 2]" 1
363 1 26 ALA MB 1 104 LEU QD . . 3.820 2.791 2.641 3.494 . 0 0 "[ . 1 . 2]" 1
364 1 26 ALA MB 1 104 LEU MD2 . . 4.710 3.262 2.657 4.710 0.000 8 0 "[ . 1 . 2]" 1
365 1 26 ALA MB 1 104 LEU HG . . 5.500 5.194 3.695 5.554 0.054 9 0 "[ . 1 . 2]" 1
366 1 27 ARG H 1 27 ARG HB2 . . 3.730 3.684 3.610 3.739 0.009 7 0 "[ . 1 . 2]" 1
367 1 27 ARG H 1 27 ARG HB3 . . 3.030 2.528 2.384 2.642 . 0 0 "[ . 1 . 2]" 1
368 1 27 ARG H 1 27 ARG QD . . 4.160 4.172 4.093 4.231 0.071 12 0 "[ . 1 . 2]" 1
369 1 27 ARG H 1 27 ARG HG2 . . 3.790 3.502 2.517 3.826 0.036 17 0 "[ . 1 . 2]" 1
370 1 27 ARG H 1 27 ARG HG3 . . 3.790 2.788 2.551 3.813 0.023 20 0 "[ . 1 . 2]" 1
371 1 27 ARG H 1 28 VAL H . . 3.310 2.462 2.323 2.635 . 0 0 "[ . 1 . 2]" 1
372 1 27 ARG H 1 28 VAL HA . . 5.250 5.149 5.036 5.296 0.046 16 0 "[ . 1 . 2]" 1
373 1 27 ARG H 1 28 VAL MG2 . . 4.080 4.064 3.858 4.137 0.057 14 0 "[ . 1 . 2]" 1
374 1 27 ARG H 1 29 LEU H . . 4.090 4.015 3.921 4.109 0.019 3 0 "[ . 1 . 2]" 1
375 1 27 ARG H 1 97 LEU MD1 . . 4.880 4.072 2.992 4.854 . 0 0 "[ . 1 . 2]" 1
376 1 27 ARG H 1 97 LEU QD . . 3.520 3.027 2.908 3.220 . 0 0 "[ . 1 . 2]" 1
377 1 27 ARG H 1 97 LEU MD2 . . 4.880 3.280 2.932 4.337 . 0 0 "[ . 1 . 2]" 1
378 1 27 ARG HA 1 27 ARG QD . . 4.680 3.787 3.403 4.639 . 0 0 "[ . 1 . 2]" 1
379 1 27 ARG HA 1 97 LEU HB2 . . 5.100 4.190 3.411 4.806 . 0 0 "[ . 1 . 2]" 1
380 1 27 ARG HA 1 97 LEU QD . . 3.700 2.240 1.986 2.583 . 0 0 "[ . 1 . 2]" 1
381 1 27 ARG HB2 1 27 ARG QD . . 3.660 2.554 2.183 2.998 . 0 0 "[ . 1 . 2]" 1
382 1 27 ARG HB2 1 97 LEU HB3 . . 5.500 5.088 4.545 5.526 0.026 11 0 "[ . 1 . 2]" 1
383 1 27 ARG HB2 1 97 LEU MD1 . . 3.940 3.511 3.011 3.930 . 0 0 "[ . 1 . 2]" 1
384 1 27 ARG HB2 1 97 LEU QD . . 3.450 2.941 2.205 3.272 . 0 0 "[ . 1 . 2]" 1
385 1 27 ARG HB2 1 97 LEU MD2 . . 3.940 3.198 2.264 3.570 . 0 0 "[ . 1 . 2]" 1
386 1 27 ARG HB3 1 28 VAL H . . 3.990 3.998 3.862 4.079 0.089 11 0 "[ . 1 . 2]" 1
387 1 27 ARG HB3 1 97 LEU QD . . 3.790 2.283 2.012 2.615 . 0 0 "[ . 1 . 2]" 1
388 1 27 ARG HB3 1 97 LEU HG . . 4.280 3.042 2.419 4.283 0.003 12 0 "[ . 1 . 2]" 1
389 1 27 ARG QD 1 28 VAL HA . . 4.760 3.337 2.670 4.946 0.186 11 0 "[ . 1 . 2]" 1
390 1 27 ARG QD 1 97 LEU QD . . 4.500 4.335 3.838 4.549 0.049 18 0 "[ . 1 . 2]" 1
391 1 27 ARG QG 1 28 VAL H . . 3.660 2.496 2.204 2.677 . 0 0 "[ . 1 . 2]" 1
392 1 27 ARG QG 1 28 VAL MG1 . . 3.790 2.424 2.147 2.647 . 0 0 "[ . 1 . 2]" 1
393 1 27 ARG QG 1 29 LEU H . . 5.340 4.881 4.499 5.068 . 0 0 "[ . 1 . 2]" 1
394 1 27 ARG HG2 1 28 VAL H . . 4.280 4.028 2.464 4.331 0.051 15 0 "[ . 1 . 2]" 1
395 1 27 ARG HG3 1 28 VAL H . . 4.280 2.542 2.251 2.779 . 0 0 "[ . 1 . 2]" 1
396 1 28 VAL H 1 28 VAL HB . . 3.960 3.714 3.687 3.749 . 0 0 "[ . 1 . 2]" 1
397 1 28 VAL H 1 28 VAL MG1 . . 3.140 2.186 2.012 2.265 . 0 0 "[ . 1 . 2]" 1
398 1 28 VAL H 1 28 VAL MG2 . . 3.370 2.291 2.074 2.444 . 0 0 "[ . 1 . 2]" 1
399 1 28 VAL H 1 29 LEU H . . 3.630 2.591 2.508 2.652 . 0 0 "[ . 1 . 2]" 1
400 1 28 VAL H 1 30 ARG H . . 4.800 4.510 4.331 4.801 0.001 18 0 "[ . 1 . 2]" 1
401 1 28 VAL H 1 54 CYS QB . . 5.500 5.566 5.515 5.594 0.094 7 0 "[ . 1 . 2]" 1
402 1 28 VAL HA 1 28 VAL MG1 . . 3.640 2.458 2.326 2.589 . 0 0 "[ . 1 . 2]" 1
403 1 28 VAL HA 1 28 VAL MG2 . . 3.210 3.198 3.184 3.214 0.004 16 0 "[ . 1 . 2]" 1
404 1 28 VAL HA 1 30 ARG H . . 4.470 4.082 3.894 4.245 . 0 0 "[ . 1 . 2]" 1
405 1 28 VAL HA 1 31 ASN H . . 3.630 3.109 2.923 3.389 . 0 0 "[ . 1 . 2]" 1
406 1 28 VAL HA 1 31 ASN QB . . 4.030 2.544 2.282 3.056 . 0 0 "[ . 1 . 2]" 1
407 1 28 VAL HB 1 32 VAL H . . 4.670 4.515 4.286 4.681 0.011 18 0 "[ . 1 . 2]" 1
408 1 28 VAL HB 1 54 CYS H . . 5.010 4.482 3.939 4.878 . 0 0 "[ . 1 . 2]" 1
409 1 28 VAL MG1 1 29 LEU H . . 3.910 3.971 3.916 4.022 0.112 15 0 "[ . 1 . 2]" 1
410 1 28 VAL MG1 1 54 CYS HA . . 4.550 2.870 2.235 3.318 . 0 0 "[ . 1 . 2]" 1
411 1 28 VAL MG1 1 54 CYS QB . . 4.200 2.651 2.254 3.113 . 0 0 "[ . 1 . 2]" 1
412 1 28 VAL MG1 1 55 GLN QE . . 4.100 3.339 2.182 3.922 . 0 0 "[ . 1 . 2]" 1
413 1 28 VAL MG1 1 55 GLN QG . . 3.880 3.112 2.654 3.731 . 0 0 "[ . 1 . 2]" 1
414 1 28 VAL MG1 1 56 THR H . . 4.600 3.899 3.534 4.427 . 0 0 "[ . 1 . 2]" 1
415 1 28 VAL MG1 1 56 THR HB . . 5.060 4.868 4.354 5.126 0.066 1 0 "[ . 1 . 2]" 1
416 1 28 VAL MG2 1 29 LEU H . . 4.520 2.412 2.266 2.548 . 0 0 "[ . 1 . 2]" 1
417 1 28 VAL MG2 1 29 LEU QD . . 3.420 2.793 2.613 2.960 . 0 0 "[ . 1 . 2]" 1
418 1 28 VAL MG2 1 54 CYS HA . . 4.720 3.805 3.261 4.183 . 0 0 "[ . 1 . 2]" 1
419 1 28 VAL MG2 1 54 CYS QB . . 4.410 2.546 2.232 2.855 . 0 0 "[ . 1 . 2]" 1
420 1 29 LEU H 1 29 LEU HB2 . . 3.060 2.131 2.088 2.200 . 0 0 "[ . 1 . 2]" 1
421 1 29 LEU H 1 29 LEU HB3 . . 3.550 3.367 3.247 3.462 . 0 0 "[ . 1 . 2]" 1
422 1 29 LEU H 1 29 LEU QD . . 4.300 2.863 2.699 3.120 . 0 0 "[ . 1 . 2]" 1
423 1 29 LEU H 1 29 LEU HG . . 4.450 4.370 4.266 4.472 0.022 15 0 "[ . 1 . 2]" 1
424 1 29 LEU H 1 30 ARG H . . 3.630 2.905 2.808 2.961 . 0 0 "[ . 1 . 2]" 1
425 1 29 LEU H 1 30 ARG QB . . 4.990 4.740 4.442 5.210 0.220 18 0 "[ . 1 . 2]" 1
426 1 29 LEU H 1 31 ASN H . . 4.560 4.236 4.163 4.354 . 0 0 "[ . 1 . 2]" 1
427 1 29 LEU H 1 32 VAL H . . 5.220 4.741 4.635 4.899 . 0 0 "[ . 1 . 2]" 1
428 1 29 LEU H 1 32 VAL HB . . 5.500 5.064 4.798 5.355 . 0 0 "[ . 1 . 2]" 1
429 1 29 LEU H 1 91 LEU MD1 . . 5.000 4.820 4.668 4.971 . 0 0 "[ . 1 . 2]" 1
430 1 29 LEU HA 1 29 LEU MD1 . . 3.940 2.112 2.050 2.220 . 0 0 "[ . 1 . 2]" 1
431 1 29 LEU HA 1 29 LEU QD . . 3.370 2.065 1.971 2.205 . 0 0 "[ . 1 . 2]" 1
432 1 29 LEU HA 1 29 LEU MD2 . . 3.940 3.333 2.336 3.810 . 0 0 "[ . 1 . 2]" 1
433 1 29 LEU HA 1 31 ASN H . . 4.430 4.237 4.045 4.434 0.004 8 0 "[ . 1 . 2]" 1
434 1 29 LEU HA 1 32 VAL H . . 3.600 3.288 3.121 3.442 . 0 0 "[ . 1 . 2]" 1
435 1 29 LEU HA 1 32 VAL MG1 . . 4.900 3.879 3.656 4.178 . 0 0 "[ . 1 . 2]" 1
436 1 29 LEU HA 1 32 VAL MG2 . . 4.030 3.158 2.937 3.375 . 0 0 "[ . 1 . 2]" 1
437 1 29 LEU HA 1 33 PHE H . . 4.470 4.052 3.788 4.261 . 0 0 "[ . 1 . 2]" 1
438 1 29 LEU HB2 1 29 LEU MD1 . . 3.490 2.810 2.394 3.280 . 0 0 "[ . 1 . 2]" 1
439 1 29 LEU HB2 1 29 LEU MD2 . . 3.490 2.322 2.227 2.422 . 0 0 "[ . 1 . 2]" 1
440 1 29 LEU HB2 1 30 ARG H . . 3.500 3.213 3.041 3.349 . 0 0 "[ . 1 . 2]" 1
441 1 29 LEU HB2 1 30 ARG HA . . 5.340 5.242 5.154 5.351 0.011 20 0 "[ . 1 . 2]" 1
442 1 29 LEU HB2 1 91 LEU MD1 . . 4.480 3.471 3.345 3.632 . 0 0 "[ . 1 . 2]" 1
443 1 29 LEU HB3 1 30 ARG QB . . 4.550 4.294 3.982 4.669 0.119 18 0 "[ . 1 . 2]" 1
444 1 29 LEU HB3 1 31 ASN H . . 5.500 5.187 4.955 5.375 . 0 0 "[ . 1 . 2]" 1
445 1 29 LEU HB3 1 33 PHE H . . 5.500 5.107 4.850 5.361 . 0 0 "[ . 1 . 2]" 1
446 1 29 LEU HB3 1 91 LEU MD1 . . 4.410 2.154 2.084 2.233 . 0 0 "[ . 1 . 2]" 1
447 1 29 LEU QD 1 30 ARG HA . . 5.420 5.023 4.460 5.383 . 0 0 "[ . 1 . 2]" 1
448 1 29 LEU QD 1 67 LEU HA . . 3.830 3.739 3.565 3.853 0.023 6 0 "[ . 1 . 2]" 1
449 1 29 LEU QD 1 67 LEU QD . . 2.720 2.301 1.959 2.576 . 0 0 "[ . 1 . 2]" 1
450 1 29 LEU QD 1 78 LEU QD . . 3.220 2.214 1.879 2.769 . 0 0 "[ . 1 . 2]" 1
451 1 29 LEU QD 1 91 LEU QB . . 3.660 3.087 2.593 3.724 0.064 15 0 "[ . 1 . 2]" 1
452 1 29 LEU QD 1 91 LEU MD1 . . 3.490 2.950 2.613 3.390 . 0 0 "[ . 1 . 2]" 1
453 1 29 LEU MD1 1 91 LEU MD1 . . 4.360 3.994 2.917 4.478 0.118 1 0 "[ . 1 . 2]" 1
454 1 29 LEU MD2 1 91 LEU MD1 . . 4.360 3.445 2.631 4.425 0.065 14 0 "[ . 1 . 2]" 1
455 1 29 LEU HG 1 91 LEU QB . . 4.590 3.992 3.544 4.297 . 0 0 "[ . 1 . 2]" 1
456 1 29 LEU HG 1 91 LEU MD1 . . 3.850 3.556 3.425 3.661 . 0 0 "[ . 1 . 2]" 1
457 1 30 ARG H 1 31 ASN H . . 3.430 2.625 2.555 2.679 . 0 0 "[ . 1 . 2]" 1
458 1 30 ARG H 1 31 ASN HA . . 5.220 5.290 5.235 5.316 0.096 6 0 "[ . 1 . 2]" 1
459 1 30 ARG H 1 31 ASN QB . . 4.570 4.514 4.163 4.614 0.044 19 0 "[ . 1 . 2]" 1
460 1 30 ARG H 1 31 ASN QD . . 4.670 4.327 3.970 4.751 0.081 8 0 "[ . 1 . 2]" 1
461 1 30 ARG H 1 32 VAL H . . 5.150 4.086 3.895 4.163 . 0 0 "[ . 1 . 2]" 1
462 1 30 ARG H 1 32 VAL HB . . 5.500 5.150 5.015 5.335 . 0 0 "[ . 1 . 2]" 1
463 1 30 ARG H 1 33 PHE H . . 4.930 4.812 4.635 4.925 . 0 0 "[ . 1 . 2]" 1
464 1 30 ARG H 1 91 LEU MD1 . . 4.070 3.460 3.151 3.707 . 0 0 "[ . 1 . 2]" 1
465 1 30 ARG HA 1 31 ASN H . . 3.540 3.548 3.503 3.589 0.049 8 0 "[ . 1 . 2]" 1
466 1 30 ARG HA 1 91 LEU MD1 . . 4.060 2.577 2.279 3.019 . 0 0 "[ . 1 . 2]" 1
467 1 30 ARG HA 1 93 LYS QB . . 4.660 2.729 2.444 3.053 . 0 0 "[ . 1 . 2]" 1
468 1 30 ARG QB 1 31 ASN H . . 3.810 3.064 2.537 3.767 . 0 0 "[ . 1 . 2]" 1
469 1 30 ARG QB 1 34 VAL MG1 . . 5.250 4.685 3.984 4.956 . 0 0 "[ . 1 . 2]" 1
470 1 30 ARG QB 1 91 LEU MD1 . . 4.060 3.240 2.846 3.644 . 0 0 "[ . 1 . 2]" 1
471 1 30 ARG QD 1 31 ASN H . . 4.570 2.911 2.691 3.090 . 0 0 "[ . 1 . 2]" 1
472 1 30 ARG QD 1 32 VAL H . . 4.850 4.890 4.776 5.030 0.180 18 0 "[ . 1 . 2]" 1
473 1 31 ASN H 1 31 ASN HB2 . . 3.700 2.670 2.325 3.551 . 0 0 "[ . 1 . 2]" 1
474 1 31 ASN H 1 31 ASN QB . . 2.970 2.272 2.019 2.369 . 0 0 "[ . 1 . 2]" 1
475 1 31 ASN H 1 31 ASN HB3 . . 3.700 3.154 2.039 3.595 . 0 0 "[ . 1 . 2]" 1
476 1 31 ASN H 1 31 ASN HD21 . . 4.420 2.735 2.435 3.123 . 0 0 "[ . 1 . 2]" 1
477 1 31 ASN H 1 31 ASN QD . . 3.770 2.696 2.409 3.066 . 0 0 "[ . 1 . 2]" 1
478 1 31 ASN H 1 31 ASN HD22 . . 4.420 4.121 3.733 4.634 0.214 18 0 "[ . 1 . 2]" 1
479 1 31 ASN H 1 32 VAL H . . 3.250 2.544 2.385 2.654 . 0 0 "[ . 1 . 2]" 1
480 1 31 ASN H 1 32 VAL HB . . 5.080 4.668 4.440 4.955 . 0 0 "[ . 1 . 2]" 1
481 1 31 ASN H 1 32 VAL MG2 . . 4.320 4.232 4.026 4.332 0.012 5 0 "[ . 1 . 2]" 1
482 1 31 ASN H 1 34 VAL MG1 . . 4.850 4.197 4.121 4.265 . 0 0 "[ . 1 . 2]" 1
483 1 31 ASN HA 1 33 PHE H . . 4.710 4.539 4.459 4.640 . 0 0 "[ . 1 . 2]" 1
484 1 31 ASN HA 1 34 VAL H . . 3.820 3.647 3.498 3.779 . 0 0 "[ . 1 . 2]" 1
485 1 31 ASN HA 1 34 VAL HB . . 5.190 4.295 4.187 4.446 . 0 0 "[ . 1 . 2]" 1
486 1 31 ASN HA 1 34 VAL MG1 . . 3.630 2.027 1.977 2.120 . 0 0 "[ . 1 . 2]" 1
487 1 31 ASN HA 1 34 VAL MG2 . . 4.730 4.662 4.594 4.738 0.008 5 0 "[ . 1 . 2]" 1
488 1 31 ASN HA 1 35 SER H . . 4.080 3.845 3.698 3.962 . 0 0 "[ . 1 . 2]" 1
489 1 31 ASN QB 1 32 VAL HA . . 5.340 4.398 4.113 5.016 . 0 0 "[ . 1 . 2]" 1
490 1 31 ASN QB 1 32 VAL MG2 . . 4.340 3.649 3.315 4.294 . 0 0 "[ . 1 . 2]" 1
491 1 31 ASN HB2 1 32 VAL MG2 . . 4.960 4.064 3.510 5.111 0.151 18 0 "[ . 1 . 2]" 1
492 1 31 ASN HB3 1 32 VAL MG2 . . 4.960 4.278 4.072 4.689 . 0 0 "[ . 1 . 2]" 1
493 1 32 VAL H 1 32 VAL HB . . 3.110 2.429 2.335 2.543 . 0 0 "[ . 1 . 2]" 1
494 1 32 VAL H 1 32 VAL MG1 . . 3.920 3.803 3.753 3.865 . 0 0 "[ . 1 . 2]" 1
495 1 32 VAL H 1 32 VAL MG2 . . 2.870 2.349 2.251 2.487 . 0 0 "[ . 1 . 2]" 1
496 1 32 VAL H 1 33 PHE H . . 3.560 2.744 2.574 2.818 . 0 0 "[ . 1 . 2]" 1
497 1 32 VAL H 1 34 VAL H . . 4.620 4.371 4.176 4.493 . 0 0 "[ . 1 . 2]" 1
498 1 32 VAL H 1 34 VAL MG1 . . 4.300 4.308 4.167 4.347 0.047 19 0 "[ . 1 . 2]" 1
499 1 32 VAL HA 1 32 VAL MG1 . . 3.320 2.523 2.448 2.585 . 0 0 "[ . 1 . 2]" 1
500 1 32 VAL HA 1 32 VAL MG2 . . 3.550 2.304 2.257 2.357 . 0 0 "[ . 1 . 2]" 1
501 1 32 VAL HA 1 34 VAL H . . 5.050 4.675 4.524 4.776 . 0 0 "[ . 1 . 2]" 1
502 1 32 VAL HA 1 35 SER QB . . 4.110 2.728 2.422 2.919 . 0 0 "[ . 1 . 2]" 1
503 1 32 VAL HA 1 36 GLU H . . 4.470 4.442 4.268 4.521 0.051 20 0 "[ . 1 . 2]" 1
504 1 32 VAL HB 1 33 PHE H . . 3.670 2.817 2.744 2.937 . 0 0 "[ . 1 . 2]" 1
505 1 32 VAL HB 1 33 PHE QB . . 4.530 4.344 4.128 4.559 0.029 14 0 "[ . 1 . 2]" 1
506 1 32 VAL HB 1 34 VAL H . . 5.430 5.413 5.326 5.467 0.037 16 0 "[ . 1 . 2]" 1
507 1 32 VAL HB 1 50 MET H . . 5.300 5.423 5.353 5.511 0.211 11 0 "[ . 1 . 2]" 1
508 1 32 VAL HB 1 50 MET HA . . 5.000 4.793 4.643 5.010 0.010 11 0 "[ . 1 . 2]" 1
509 1 32 VAL MG1 1 33 PHE H . . 3.710 3.391 3.259 3.594 . 0 0 "[ . 1 . 2]" 1
510 1 32 VAL MG1 1 34 VAL H . . 5.500 5.256 5.168 5.338 . 0 0 "[ . 1 . 2]" 1
511 1 32 VAL MG1 1 36 GLU H . . 4.960 4.683 4.349 4.821 . 0 0 "[ . 1 . 2]" 1
512 1 32 VAL MG1 1 36 GLU QB . . 4.590 3.920 3.769 4.106 . 0 0 "[ . 1 . 2]" 1
513 1 32 VAL MG1 1 36 GLU QG . . 5.480 5.162 4.991 5.381 . 0 0 "[ . 1 . 2]" 1
514 1 32 VAL MG1 1 41 LEU HB3 . . 4.500 4.185 4.035 4.384 . 0 0 "[ . 1 . 2]" 1
515 1 32 VAL MG1 1 41 LEU QD . . 3.360 2.096 2.010 2.172 . 0 0 "[ . 1 . 2]" 1
516 1 32 VAL MG1 1 45 VAL QG . . 3.070 3.086 3.006 3.123 0.053 19 0 "[ . 1 . 2]" 1
517 1 32 VAL MG1 1 46 VAL HA . . 4.140 2.749 2.607 2.920 . 0 0 "[ . 1 . 2]" 1
518 1 32 VAL MG1 1 46 VAL HB . . 5.240 4.778 4.507 4.940 . 0 0 "[ . 1 . 2]" 1
519 1 32 VAL MG1 1 46 VAL MG1 . . 4.090 2.555 2.267 2.828 . 0 0 "[ . 1 . 2]" 1
520 1 32 VAL MG1 1 46 VAL QG . . 3.310 2.387 2.116 2.711 . 0 0 "[ . 1 . 2]" 1
521 1 32 VAL MG1 1 46 VAL MG2 . . 4.090 2.883 2.535 3.482 . 0 0 "[ . 1 . 2]" 1
522 1 32 VAL MG1 1 49 ARG H . . 4.310 4.141 3.974 4.276 . 0 0 "[ . 1 . 2]" 1
523 1 32 VAL MG1 1 49 ARG HA . . 5.260 4.354 4.280 4.421 . 0 0 "[ . 1 . 2]" 1
524 1 32 VAL MG1 1 49 ARG QB . . 3.620 1.950 1.924 1.984 . 0 0 "[ . 1 . 2]" 1
525 1 32 VAL MG1 1 49 ARG HD2 . . 4.890 4.873 4.647 4.934 0.044 18 0 "[ . 1 . 2]" 1
526 1 32 VAL MG1 1 49 ARG QD . . 4.200 4.123 3.959 4.230 0.030 13 0 "[ . 1 . 2]" 1
527 1 32 VAL MG1 1 49 ARG HD3 . . 4.890 4.457 4.234 4.866 . 0 0 "[ . 1 . 2]" 1
528 1 32 VAL MG1 1 49 ARG QG . . 4.290 2.771 2.524 2.983 . 0 0 "[ . 1 . 2]" 1
529 1 32 VAL MG1 1 50 MET H . . 4.070 2.991 2.792 3.260 . 0 0 "[ . 1 . 2]" 1
530 1 32 VAL MG1 1 53 SER H . . 5.500 5.437 5.348 5.519 0.019 4 0 "[ . 1 . 2]" 1
531 1 32 VAL MG1 1 54 CYS H . . 5.500 5.612 5.531 5.656 0.156 7 0 "[ . 1 . 2]" 1
532 1 32 VAL MG2 1 33 PHE H . . 4.130 4.061 3.966 4.130 . 0 0 "[ . 1 . 2]" 1
533 1 32 VAL MG2 1 35 SER QB . . 4.630 4.168 3.825 4.380 . 0 0 "[ . 1 . 2]" 1
534 1 32 VAL MG2 1 46 VAL HA . . 5.320 4.423 4.249 4.577 . 0 0 "[ . 1 . 2]" 1
535 1 32 VAL MG2 1 49 ARG QG . . 4.510 3.370 2.893 3.753 . 0 0 "[ . 1 . 2]" 1
536 1 32 VAL MG2 1 50 MET H . . 3.410 3.217 3.133 3.376 . 0 0 "[ . 1 . 2]" 1
537 1 32 VAL MG2 1 50 MET HA . . 3.510 2.250 2.073 2.483 . 0 0 "[ . 1 . 2]" 1
538 1 32 VAL MG2 1 50 MET HB2 . . 4.110 3.417 2.861 4.074 . 0 0 "[ . 1 . 2]" 1
539 1 32 VAL MG2 1 50 MET QB . . 3.590 2.848 2.470 3.268 . 0 0 "[ . 1 . 2]" 1
540 1 32 VAL MG2 1 50 MET HB3 . . 4.110 3.053 2.701 3.441 . 0 0 "[ . 1 . 2]" 1
541 1 32 VAL MG2 1 53 SER HA . . 5.360 4.851 4.575 5.239 . 0 0 "[ . 1 . 2]" 1
542 1 32 VAL MG2 1 53 SER HB2 . . 3.900 3.381 3.014 3.888 . 0 0 "[ . 1 . 2]" 1
543 1 32 VAL MG2 1 53 SER QB . . 3.390 2.228 2.008 2.586 . 0 0 "[ . 1 . 2]" 1
544 1 32 VAL MG2 1 53 SER HB3 . . 3.900 2.261 2.031 2.626 . 0 0 "[ . 1 . 2]" 1
545 1 32 VAL MG2 1 54 CYS H . . 3.860 3.549 3.414 3.657 . 0 0 "[ . 1 . 2]" 1
546 1 33 PHE H 1 33 PHE QB . . 3.210 2.123 2.043 2.189 . 0 0 "[ . 1 . 2]" 1
547 1 33 PHE H 1 34 VAL H . . 3.450 2.839 2.764 2.887 . 0 0 "[ . 1 . 2]" 1
548 1 33 PHE H 1 34 VAL HA . . 5.430 5.457 5.408 5.484 0.054 1 0 "[ . 1 . 2]" 1
549 1 33 PHE H 1 34 VAL MG1 . . 4.110 4.131 4.048 4.161 0.051 20 0 "[ . 1 . 2]" 1
550 1 33 PHE H 1 41 LEU QD . . 4.300 3.568 3.444 3.752 . 0 0 "[ . 1 . 2]" 1
551 1 33 PHE H 1 91 LEU MD1 . . 4.890 4.192 3.891 4.493 . 0 0 "[ . 1 . 2]" 1
552 1 33 PHE HA 1 41 LEU MD1 . . 3.780 2.210 1.992 2.505 . 0 0 "[ . 1 . 2]" 1
553 1 33 PHE HA 1 41 LEU MD2 . . 3.780 2.484 2.110 2.938 . 0 0 "[ . 1 . 2]" 1
554 1 33 PHE QB 1 34 VAL H . . 3.460 2.499 2.238 2.802 . 0 0 "[ . 1 . 2]" 1
555 1 33 PHE QB 1 34 VAL HB . . 5.170 3.928 3.770 4.231 . 0 0 "[ . 1 . 2]" 1
556 1 33 PHE QB 1 35 SER H . . 5.030 4.773 4.597 4.943 . 0 0 "[ . 1 . 2]" 1
557 1 33 PHE QB 1 36 GLU H . . 5.270 5.297 5.188 5.350 0.080 1 0 "[ . 1 . 2]" 1
558 1 33 PHE QB 1 38 LYS H . . 5.500 5.181 4.515 5.528 0.028 17 0 "[ . 1 . 2]" 1
559 1 33 PHE QB 1 41 LEU MD1 . . 4.560 3.608 3.033 3.916 . 0 0 "[ . 1 . 2]" 1
560 1 33 PHE QB 1 41 LEU QD . . 3.930 3.320 2.974 3.572 . 0 0 "[ . 1 . 2]" 1
561 1 33 PHE QB 1 41 LEU MD2 . . 4.560 3.976 3.463 4.565 0.005 9 0 "[ . 1 . 2]" 1
562 1 33 PHE QB 1 91 LEU H . . 4.900 4.919 4.599 5.058 0.158 18 0 "[ . 1 . 2]" 1
563 1 33 PHE QB 1 91 LEU MD1 . . 4.220 2.931 2.591 3.441 . 0 0 "[ . 1 . 2]" 1
564 1 33 PHE QD 1 41 LEU QD . . 4.140 2.860 2.206 3.809 . 0 0 "[ . 1 . 2]" 1
565 1 33 PHE QD 1 91 LEU MD1 . . 4.160 3.760 3.505 4.084 . 0 0 "[ . 1 . 2]" 1
566 1 34 VAL H 1 34 VAL HB . . 3.120 2.548 2.483 2.612 . 0 0 "[ . 1 . 2]" 1
567 1 34 VAL H 1 34 VAL MG1 . . 3.000 2.156 2.104 2.257 . 0 0 "[ . 1 . 2]" 1
568 1 34 VAL H 1 34 VAL MG2 . . 3.890 3.816 3.787 3.836 . 0 0 "[ . 1 . 2]" 1
569 1 34 VAL H 1 35 SER H . . 3.680 2.720 2.685 2.757 . 0 0 "[ . 1 . 2]" 1
570 1 34 VAL H 1 35 SER HA . . 5.320 5.337 5.316 5.358 0.038 15 0 "[ . 1 . 2]" 1
571 1 34 VAL H 1 36 GLU H . . 4.370 4.209 4.098 4.321 . 0 0 "[ . 1 . 2]" 1
572 1 34 VAL H 1 36 GLU QB . . 5.500 5.400 5.246 5.510 0.010 9 0 "[ . 1 . 2]" 1
573 1 34 VAL H 1 38 LYS H . . 5.500 5.636 5.585 5.688 0.188 10 0 "[ . 1 . 2]" 1
574 1 34 VAL HA 1 34 VAL MG1 . . 3.250 3.237 3.223 3.248 . 0 0 "[ . 1 . 2]" 1
575 1 34 VAL HA 1 34 VAL MG2 . . 3.250 2.309 2.272 2.334 . 0 0 "[ . 1 . 2]" 1
576 1 34 VAL HA 1 37 ARG H . . 5.000 2.946 2.817 3.078 . 0 0 "[ . 1 . 2]" 1
577 1 34 VAL HA 1 38 LYS H . . 4.640 4.121 3.920 4.362 . 0 0 "[ . 1 . 2]" 1
578 1 34 VAL HA 1 93 LYS QD . . 4.340 4.137 3.389 4.434 0.094 7 0 "[ . 1 . 2]" 1
579 1 34 VAL HB 1 35 SER H . . 4.200 4.091 4.054 4.123 . 0 0 "[ . 1 . 2]" 1
580 1 34 VAL HB 1 93 LYS QD . . 4.010 2.810 2.355 3.170 . 0 0 "[ . 1 . 2]" 1
581 1 34 VAL HB 1 93 LYS QE . . 5.410 4.272 3.182 5.008 . 0 0 "[ . 1 . 2]" 1
582 1 34 VAL MG1 1 35 SER H . . 3.860 2.332 2.256 2.379 . 0 0 "[ . 1 . 2]" 1
583 1 34 VAL MG1 1 36 GLU H . . 4.430 4.468 4.431 4.520 0.090 5 0 "[ . 1 . 2]" 1
584 1 34 VAL MG1 1 93 LYS QB . . 5.500 4.374 3.887 4.746 . 0 0 "[ . 1 . 2]" 1
585 1 34 VAL MG1 1 93 LYS QD . . 4.370 4.044 3.536 4.378 0.008 1 0 "[ . 1 . 2]" 1
586 1 34 VAL MG2 1 35 SER H . . 3.850 3.864 3.792 3.905 0.055 20 0 "[ . 1 . 2]" 1
587 1 34 VAL MG2 1 35 SER HA . . 4.010 3.988 3.865 4.048 0.038 1 0 "[ . 1 . 2]" 1
588 1 34 VAL MG2 1 35 SER QB . . 5.130 5.024 4.841 5.192 0.062 11 0 "[ . 1 . 2]" 1
589 1 34 VAL MG2 1 36 GLU H . . 5.000 4.999 4.897 5.035 0.035 13 0 "[ . 1 . 2]" 1
590 1 34 VAL MG2 1 93 LYS QD . . 4.330 3.456 3.041 3.787 . 0 0 "[ . 1 . 2]" 1
591 1 35 SER H 1 35 SER QB . . 3.250 2.329 2.214 2.489 . 0 0 "[ . 1 . 2]" 1
592 1 35 SER H 1 36 GLU H . . 3.780 2.756 2.684 2.813 . 0 0 "[ . 1 . 2]" 1
593 1 35 SER H 1 36 GLU HA . . 5.490 5.457 5.406 5.491 0.001 8 0 "[ . 1 . 2]" 1
594 1 35 SER H 1 36 GLU QB . . 4.890 4.644 4.549 4.713 . 0 0 "[ . 1 . 2]" 1
595 1 35 SER QB 1 36 GLU H . . 3.280 2.813 2.646 3.082 . 0 0 "[ . 1 . 2]" 1
596 1 35 SER QB 1 36 GLU HA . . 4.320 4.293 4.129 4.389 0.069 2 0 "[ . 1 . 2]" 1
597 1 35 SER QB 1 36 GLU QB . . 4.580 3.838 3.671 4.061 . 0 0 "[ . 1 . 2]" 1
598 1 36 GLU H 1 36 GLU QB . . 3.240 2.385 2.354 2.455 . 0 0 "[ . 1 . 2]" 1
599 1 36 GLU H 1 36 GLU QG . . 4.530 4.177 4.139 4.209 . 0 0 "[ . 1 . 2]" 1
600 1 36 GLU H 1 37 ARG H . . 4.050 2.307 2.159 2.416 . 0 0 "[ . 1 . 2]" 1
601 1 36 GLU H 1 37 ARG QD . . 5.500 5.031 3.721 5.601 0.101 1 0 "[ . 1 . 2]" 1
602 1 36 GLU H 1 37 ARG QG . . 4.520 4.343 3.946 4.638 0.118 12 0 "[ . 1 . 2]" 1
603 1 36 GLU H 1 38 LYS H . . 4.270 4.231 4.099 4.292 0.022 20 0 "[ . 1 . 2]" 1
604 1 36 GLU H 1 41 LEU MD1 . . 5.100 4.367 3.999 5.030 . 0 0 "[ . 1 . 2]" 1
605 1 36 GLU H 1 41 LEU QD . . 3.860 3.590 3.268 3.862 0.002 7 0 "[ . 1 . 2]" 1
606 1 36 GLU H 1 41 LEU MD2 . . 5.100 3.843 3.418 4.162 . 0 0 "[ . 1 . 2]" 1
607 1 36 GLU H 1 45 VAL QG . . 5.440 4.646 4.334 4.783 . 0 0 "[ . 1 . 2]" 1
608 1 36 GLU QB 1 38 LYS QD . . 3.920 3.704 3.030 3.951 0.031 20 0 "[ . 1 . 2]" 1
609 1 36 GLU QB 1 41 LEU MD1 . . 3.720 2.878 2.176 3.431 . 0 0 "[ . 1 . 2]" 1
610 1 36 GLU QB 1 41 LEU QD . . 2.940 2.177 1.974 2.515 . 0 0 "[ . 1 . 2]" 1
611 1 36 GLU QB 1 41 LEU MD2 . . 3.720 2.288 2.069 2.595 . 0 0 "[ . 1 . 2]" 1
612 1 36 GLU QB 1 49 ARG QB . . 5.500 4.257 4.102 4.413 . 0 0 "[ . 1 . 2]" 1
613 1 36 GLU QG 1 38 LYS H . . 4.000 3.943 3.755 4.121 0.121 17 0 "[ . 1 . 2]" 1
614 1 36 GLU QG 1 38 LYS HD2 . . 4.100 2.935 2.093 3.591 . 0 0 "[ . 1 . 2]" 1
615 1 36 GLU QG 1 38 LYS QD . . 3.500 2.161 2.072 2.296 . 0 0 "[ . 1 . 2]" 1
616 1 36 GLU QG 1 38 LYS HD3 . . 4.100 2.372 2.097 3.597 . 0 0 "[ . 1 . 2]" 1
617 1 36 GLU QG 1 41 LEU MD1 . . 4.180 3.593 2.989 4.172 . 0 0 "[ . 1 . 2]" 1
618 1 36 GLU QG 1 41 LEU QD . . 3.320 2.667 2.160 3.323 0.003 13 0 "[ . 1 . 2]" 1
619 1 36 GLU QG 1 41 LEU MD2 . . 4.180 2.870 2.171 3.503 . 0 0 "[ . 1 . 2]" 1
620 1 36 GLU QG 1 45 VAL QG . . 4.840 2.033 1.940 2.159 . 0 0 "[ . 1 . 2]" 1
621 1 37 ARG H 1 37 ARG QB . . 3.680 3.384 3.283 3.473 . 0 0 "[ . 1 . 2]" 1
622 1 37 ARG H 1 37 ARG QD . . 4.660 3.623 2.761 4.530 . 0 0 "[ . 1 . 2]" 1
623 1 37 ARG H 1 37 ARG QG . . 3.740 2.742 2.610 3.006 . 0 0 "[ . 1 . 2]" 1
624 1 37 ARG H 1 38 LYS H . . 4.020 2.887 2.663 3.044 . 0 0 "[ . 1 . 2]" 1
625 1 37 ARG HA 1 37 ARG QD . . 4.190 3.297 2.146 4.243 0.053 16 0 "[ . 1 . 2]" 1
626 1 37 ARG HA 1 37 ARG QG . . 3.850 2.680 2.279 2.988 . 0 0 "[ . 1 . 2]" 1
627 1 38 LYS H 1 38 LYS HB2 . . 4.060 2.935 2.551 3.979 . 0 0 "[ . 1 . 2]" 1
628 1 38 LYS H 1 38 LYS QB . . 3.430 2.754 2.509 3.222 . 0 0 "[ . 1 . 2]" 1
629 1 38 LYS H 1 38 LYS HB3 . . 4.060 3.725 3.324 3.882 . 0 0 "[ . 1 . 2]" 1
630 1 38 LYS H 1 38 LYS QE . . 5.500 5.239 4.503 5.509 0.009 4 0 "[ . 1 . 2]" 1
631 1 38 LYS H 1 39 PRO HA . . 5.210 5.044 4.970 5.177 . 0 0 "[ . 1 . 2]" 1
632 1 38 LYS H 1 39 PRO QD . . 4.980 4.397 4.370 4.449 . 0 0 "[ . 1 . 2]" 1
633 1 38 LYS H 1 40 ALA H . . 5.060 5.152 5.120 5.180 0.120 17 0 "[ . 1 . 2]" 1
634 1 38 LYS H 1 41 LEU MD1 . . 4.880 3.819 2.888 4.903 0.023 14 0 "[ . 1 . 2]" 1
635 1 38 LYS H 1 41 LEU QD . . 3.890 3.113 2.858 3.634 . 0 0 "[ . 1 . 2]" 1
636 1 38 LYS H 1 41 LEU MD2 . . 4.880 3.995 3.071 4.654 . 0 0 "[ . 1 . 2]" 1
637 1 38 LYS H 1 41 LEU HG . . 5.270 5.065 4.646 5.350 0.080 7 0 "[ . 1 . 2]" 1
638 1 38 LYS HA 1 39 PRO QD . . 3.700 2.105 2.070 2.140 . 0 0 "[ . 1 . 2]" 1
639 1 38 LYS HA 1 41 LEU QD . . 4.780 4.377 4.139 4.763 . 0 0 "[ . 1 . 2]" 1
640 1 38 LYS QB 1 38 LYS QD . . 3.040 2.365 2.253 2.530 . 0 0 "[ . 1 . 2]" 1
641 1 38 LYS QB 1 38 LYS QE . . 3.210 2.101 1.998 2.230 . 0 0 "[ . 1 . 2]" 1
642 1 38 LYS QB 1 40 ALA H . . 3.110 2.534 2.327 2.980 . 0 0 "[ . 1 . 2]" 1
643 1 38 LYS QB 1 40 ALA MB . . 4.200 4.141 3.911 4.254 0.054 6 0 "[ . 1 . 2]" 1
644 1 38 LYS QB 1 41 LEU QD . . 4.330 2.457 2.057 4.058 . 0 0 "[ . 1 . 2]" 1
645 1 38 LYS HB2 1 38 LYS QE . . 3.960 2.918 2.157 3.265 . 0 0 "[ . 1 . 2]" 1
646 1 38 LYS HB3 1 38 LYS QE . . 3.960 2.210 2.065 2.768 . 0 0 "[ . 1 . 2]" 1
647 1 38 LYS QD 1 41 LEU QD . . 3.790 3.312 2.753 3.794 0.004 5 0 "[ . 1 . 2]" 1
648 1 38 LYS QE 1 39 PRO QD . . 4.460 3.540 3.175 4.056 . 0 0 "[ . 1 . 2]" 1
649 1 38 LYS QE 1 40 ALA H . . 4.260 3.662 3.291 4.331 0.071 17 0 "[ . 1 . 2]" 1
650 1 38 LYS QE 1 41 LEU QD . . 4.180 3.693 2.880 4.214 0.034 17 0 "[ . 1 . 2]" 1
651 1 39 PRO HA 1 40 ALA H . . 3.480 3.467 3.419 3.497 0.017 17 0 "[ . 1 . 2]" 1
652 1 39 PRO QB 1 40 ALA H . . 3.700 3.610 3.462 3.715 0.015 6 0 "[ . 1 . 2]" 1
653 1 39 PRO QD 1 40 ALA H . . 2.990 2.714 2.616 2.928 . 0 0 "[ . 1 . 2]" 1
654 1 39 PRO QG 1 40 ALA H . . 4.170 2.772 2.586 2.955 . 0 0 "[ . 1 . 2]" 1
655 1 40 ALA H 1 40 ALA MB . . 2.830 2.605 2.490 2.662 . 0 0 "[ . 1 . 2]" 1
656 1 40 ALA H 1 41 LEU H . . 4.330 4.221 4.145 4.284 . 0 0 "[ . 1 . 2]" 1
657 1 40 ALA H 1 41 LEU HA . . 5.160 4.710 4.604 4.901 . 0 0 "[ . 1 . 2]" 1
658 1 40 ALA H 1 41 LEU QD . . 3.680 3.272 2.883 3.702 0.022 7 0 "[ . 1 . 2]" 1
659 1 40 ALA H 1 88 TYR QB . . 5.340 5.477 5.438 5.523 0.183 18 0 "[ . 1 . 2]" 1
660 1 40 ALA HA 1 41 LEU H . . 3.060 2.194 2.118 2.257 . 0 0 "[ . 1 . 2]" 1
661 1 40 ALA HA 1 89 VAL H . . 4.440 4.336 3.989 4.478 0.038 14 0 "[ . 1 . 2]" 1
662 1 40 ALA MB 1 41 LEU H . . 3.370 3.066 2.850 3.237 . 0 0 "[ . 1 . 2]" 1
663 1 40 ALA MB 1 41 LEU QD . . 4.290 4.095 3.826 4.311 0.021 14 0 "[ . 1 . 2]" 1
664 1 40 ALA MB 1 88 TYR H . . 5.430 5.417 5.343 5.459 0.029 3 0 "[ . 1 . 2]" 1
665 1 40 ALA MB 1 88 TYR HA . . 4.970 4.408 4.254 4.583 . 0 0 "[ . 1 . 2]" 1
666 1 40 ALA MB 1 88 TYR HB2 . . 4.130 2.803 2.162 3.313 . 0 0 "[ . 1 . 2]" 1
667 1 40 ALA MB 1 88 TYR HB3 . . 4.130 2.765 2.164 3.587 . 0 0 "[ . 1 . 2]" 1
668 1 40 ALA MB 1 88 TYR QD . . 4.160 2.390 2.067 3.345 . 0 0 "[ . 1 . 2]" 1
669 1 40 ALA MB 1 89 VAL H . . 4.410 4.041 3.845 4.446 0.036 7 0 "[ . 1 . 2]" 1
670 1 40 ALA MB 1 90 LYS HA . . 5.370 4.066 3.551 4.483 . 0 0 "[ . 1 . 2]" 1
671 1 40 ALA MB 1 90 LYS HB2 . . 4.530 3.589 2.950 4.048 . 0 0 "[ . 1 . 2]" 1
672 1 40 ALA MB 1 90 LYS QD . . 4.570 4.072 3.189 4.569 . 0 0 "[ . 1 . 2]" 1
673 1 40 ALA MB 1 90 LYS QG . . 3.810 3.582 2.603 3.856 0.046 19 0 "[ . 1 . 2]" 1
674 1 41 LEU H 1 41 LEU HB2 . . 3.500 2.547 2.428 2.670 . 0 0 "[ . 1 . 2]" 1
675 1 41 LEU H 1 41 LEU MD1 . . 4.390 3.337 2.553 4.176 . 0 0 "[ . 1 . 2]" 1
676 1 41 LEU H 1 41 LEU QD . . 3.500 3.021 2.532 3.412 . 0 0 "[ . 1 . 2]" 1
677 1 41 LEU H 1 41 LEU MD2 . . 4.390 3.979 3.518 4.354 . 0 0 "[ . 1 . 2]" 1
678 1 41 LEU H 1 88 TYR HB2 . . 5.180 4.335 3.224 5.196 0.016 17 0 "[ . 1 . 2]" 1
679 1 41 LEU H 1 88 TYR QB . . 4.330 3.347 3.169 3.649 . 0 0 "[ . 1 . 2]" 1
680 1 41 LEU H 1 88 TYR HB3 . . 5.180 4.075 3.208 5.048 . 0 0 "[ . 1 . 2]" 1
681 1 41 LEU H 1 89 VAL H . . 3.740 2.814 2.652 2.990 . 0 0 "[ . 1 . 2]" 1
682 1 41 LEU H 1 89 VAL HA . . 5.270 4.910 4.702 5.188 . 0 0 "[ . 1 . 2]" 1
683 1 41 LEU H 1 90 LYS H . . 5.500 5.307 5.169 5.530 0.030 18 0 "[ . 1 . 2]" 1
684 1 41 LEU HA 1 41 LEU MD1 . . 4.020 3.259 2.636 3.939 . 0 0 "[ . 1 . 2]" 1
685 1 41 LEU HA 1 41 LEU QD . . 3.030 2.565 2.171 3.052 0.022 6 0 "[ . 1 . 2]" 1
686 1 41 LEU HA 1 41 LEU MD2 . . 4.020 3.179 2.184 3.854 . 0 0 "[ . 1 . 2]" 1
687 1 41 LEU HA 1 42 THR H . . 2.900 2.278 2.184 2.340 . 0 0 "[ . 1 . 2]" 1
688 1 41 LEU HA 1 45 VAL H . . 5.500 5.379 5.309 5.503 0.003 19 0 "[ . 1 . 2]" 1
689 1 41 LEU HA 1 45 VAL MG1 . . 4.770 3.849 3.491 4.064 . 0 0 "[ . 1 . 2]" 1
690 1 41 LEU HA 1 45 VAL QG . . 4.180 3.421 3.212 3.549 . 0 0 "[ . 1 . 2]" 1
691 1 41 LEU HA 1 45 VAL MG2 . . 4.770 3.837 3.712 3.987 . 0 0 "[ . 1 . 2]" 1
692 1 41 LEU HA 1 46 VAL H . . 5.280 5.280 5.188 5.335 0.055 11 0 "[ . 1 . 2]" 1
693 1 41 LEU HA 1 46 VAL QG . . 4.450 4.026 3.910 4.113 . 0 0 "[ . 1 . 2]" 1
694 1 41 LEU HB2 1 41 LEU MD1 . . 3.510 2.420 2.250 2.508 . 0 0 "[ . 1 . 2]" 1
695 1 41 LEU HB2 1 41 LEU QD . . 3.020 2.217 2.116 2.352 . 0 0 "[ . 1 . 2]" 1
696 1 41 LEU HB2 1 41 LEU MD2 . . 3.510 2.732 2.362 3.252 . 0 0 "[ . 1 . 2]" 1
697 1 41 LEU HB2 1 45 VAL QG . . 4.860 3.976 3.644 4.162 . 0 0 "[ . 1 . 2]" 1
698 1 41 LEU HB2 1 46 VAL QG . . 3.600 2.458 2.195 2.942 . 0 0 "[ . 1 . 2]" 1
699 1 41 LEU HB2 1 89 VAL H . . 4.670 3.806 3.482 4.174 . 0 0 "[ . 1 . 2]" 1
700 1 41 LEU HB3 1 42 THR H . . 3.290 3.149 3.017 3.320 0.030 7 0 "[ . 1 . 2]" 1
701 1 41 LEU HB3 1 45 VAL MG1 . . 5.080 2.812 2.369 3.200 . 0 0 "[ . 1 . 2]" 1
702 1 41 LEU HB3 1 45 VAL QG . . 3.720 2.756 2.348 3.110 . 0 0 "[ . 1 . 2]" 1
703 1 41 LEU HB3 1 45 VAL MG2 . . 5.080 3.990 3.806 4.235 . 0 0 "[ . 1 . 2]" 1
704 1 41 LEU HB3 1 46 VAL H . . 3.970 3.495 3.320 3.721 . 0 0 "[ . 1 . 2]" 1
705 1 41 LEU HB3 1 46 VAL QG . . 3.760 2.196 2.115 2.310 . 0 0 "[ . 1 . 2]" 1
706 1 41 LEU QD 1 42 THR H . . 4.730 4.048 3.635 4.464 . 0 0 "[ . 1 . 2]" 1
707 1 41 LEU QD 1 45 VAL H . . 5.440 5.187 4.806 5.460 0.020 6 0 "[ . 1 . 2]" 1
708 1 41 LEU QD 1 45 VAL QG . . 3.250 2.040 1.867 2.213 . 0 0 "[ . 1 . 2]" 1
709 1 41 LEU QD 1 46 VAL H . . 4.330 4.047 3.861 4.341 0.011 7 0 "[ . 1 . 2]" 1
710 1 41 LEU QD 1 46 VAL HA . . 4.520 3.421 2.964 3.985 . 0 0 "[ . 1 . 2]" 1
711 1 41 LEU QD 1 46 VAL QG . . 3.090 2.348 2.158 2.563 . 0 0 "[ . 1 . 2]" 1
712 1 41 LEU QD 1 49 ARG QB . . 4.380 3.504 3.338 3.976 . 0 0 "[ . 1 . 2]" 1
713 1 41 LEU QD 1 89 VAL H . . 5.440 4.779 4.274 5.010 . 0 0 "[ . 1 . 2]" 1
714 1 41 LEU HG 1 46 VAL QG . . 4.210 3.937 3.742 4.124 . 0 0 "[ . 1 . 2]" 1
715 1 42 THR H 1 42 THR HB . . 3.910 2.851 2.612 2.986 . 0 0 "[ . 1 . 2]" 1
716 1 42 THR H 1 43 MET QG . . 5.500 5.634 5.584 5.700 0.200 15 0 "[ . 1 . 2]" 1
717 1 42 THR H 1 44 GLU H . . 4.410 4.522 4.447 4.579 0.169 7 0 "[ . 1 . 2]" 1
718 1 42 THR H 1 45 VAL H . . 4.110 3.545 3.452 3.620 . 0 0 "[ . 1 . 2]" 1
719 1 42 THR H 1 45 VAL HA . . 5.500 5.549 5.504 5.593 0.093 8 0 "[ . 1 . 2]" 1
720 1 42 THR H 1 45 VAL HB . . 4.120 2.795 2.694 2.903 . 0 0 "[ . 1 . 2]" 1
721 1 42 THR H 1 45 VAL QG . . 4.430 3.156 3.022 3.266 . 0 0 "[ . 1 . 2]" 1
722 1 42 THR H 1 46 VAL QG . . 4.170 3.781 3.532 3.924 . 0 0 "[ . 1 . 2]" 1
723 1 42 THR H 1 89 VAL H . . 5.400 4.952 4.820 5.077 . 0 0 "[ . 1 . 2]" 1
724 1 42 THR HA 1 42 THR MG . . 3.350 2.247 2.175 2.338 . 0 0 "[ . 1 . 2]" 1
725 1 42 THR HA 1 43 MET H . . 3.440 2.317 2.268 2.343 . 0 0 "[ . 1 . 2]" 1
726 1 42 THR HA 1 44 GLU H . . 3.990 4.039 3.969 4.088 0.098 2 0 "[ . 1 . 2]" 1
727 1 42 THR HA 1 45 VAL H . . 4.860 4.770 4.669 4.870 0.010 16 0 "[ . 1 . 2]" 1
728 1 42 THR HA 1 87 THR H . . 4.780 4.472 4.246 4.586 . 0 0 "[ . 1 . 2]" 1
729 1 42 THR HA 1 87 THR HB . . 5.200 4.978 4.748 5.141 . 0 0 "[ . 1 . 2]" 1
730 1 42 THR HA 1 88 TYR H . . 5.490 4.583 4.475 4.914 . 0 0 "[ . 1 . 2]" 1
731 1 42 THR HA 1 88 TYR HA . . 3.890 2.178 2.068 2.550 . 0 0 "[ . 1 . 2]" 1
732 1 42 THR HA 1 89 VAL H . . 3.980 3.699 3.565 3.838 . 0 0 "[ . 1 . 2]" 1
733 1 42 THR HB 1 43 MET H . . 3.860 3.444 3.247 3.820 . 0 0 "[ . 1 . 2]" 1
734 1 42 THR HB 1 44 GLU H . . 3.540 2.288 2.016 2.825 . 0 0 "[ . 1 . 2]" 1
735 1 42 THR HB 1 45 VAL H . . 4.270 2.800 2.577 3.138 . 0 0 "[ . 1 . 2]" 1
736 1 42 THR HB 1 45 VAL HB . . 4.700 4.076 3.755 4.253 . 0 0 "[ . 1 . 2]" 1
737 1 42 THR HB 1 87 THR H . . 5.390 5.448 5.408 5.504 0.114 2 0 "[ . 1 . 2]" 1
738 1 42 THR MG 1 43 MET H . . 3.410 2.245 2.146 2.444 . 0 0 "[ . 1 . 2]" 1
739 1 42 THR MG 1 43 MET HA . . 4.410 4.421 4.313 4.458 0.048 13 0 "[ . 1 . 2]" 1
740 1 42 THR MG 1 44 GLU H . . 3.530 2.635 2.018 2.872 . 0 0 "[ . 1 . 2]" 1
741 1 42 THR MG 1 45 VAL H . . 4.380 4.222 3.782 4.411 0.031 20 0 "[ . 1 . 2]" 1
742 1 42 THR MG 1 86 ASP HB2 . . 4.400 3.282 3.059 3.525 . 0 0 "[ . 1 . 2]" 1
743 1 42 THR MG 1 86 ASP HB3 . . 4.010 2.197 2.071 2.388 . 0 0 "[ . 1 . 2]" 1
744 1 42 THR MG 1 87 THR H . . 4.180 2.656 2.436 2.805 . 0 0 "[ . 1 . 2]" 1
745 1 42 THR MG 1 87 THR HA . . 4.400 4.374 4.231 4.453 0.053 17 0 "[ . 1 . 2]" 1
746 1 42 THR MG 1 88 TYR H . . 5.340 4.321 4.079 4.489 . 0 0 "[ . 1 . 2]" 1
747 1 42 THR MG 1 88 TYR HA . . 4.370 3.454 3.270 3.625 . 0 0 "[ . 1 . 2]" 1
748 1 42 THR MG 1 88 TYR QD . . 4.700 3.618 2.365 4.653 . 0 0 "[ . 1 . 2]" 1
749 1 43 MET H 1 43 MET HB2 . . 4.190 3.587 3.559 3.607 . 0 0 "[ . 1 . 2]" 1
750 1 43 MET H 1 43 MET QB . . 3.650 2.510 2.334 2.643 . 0 0 "[ . 1 . 2]" 1
751 1 43 MET H 1 43 MET HB3 . . 4.190 2.566 2.366 2.720 . 0 0 "[ . 1 . 2]" 1
752 1 43 MET H 1 43 MET ME . . 4.100 4.141 4.111 4.181 0.081 18 0 "[ . 1 . 2]" 1
753 1 43 MET H 1 43 MET QG . . 3.630 2.124 1.993 2.246 . 0 0 "[ . 1 . 2]" 1
754 1 43 MET H 1 44 GLU H . . 3.610 2.991 2.907 3.049 . 0 0 "[ . 1 . 2]" 1
755 1 43 MET H 1 45 VAL H . . 5.010 4.678 4.581 4.753 . 0 0 "[ . 1 . 2]" 1
756 1 43 MET H 1 87 THR H . . 4.410 3.824 3.581 4.298 . 0 0 "[ . 1 . 2]" 1
757 1 43 MET H 1 87 THR HB . . 4.310 3.699 3.188 4.085 . 0 0 "[ . 1 . 2]" 1
758 1 43 MET HA 1 45 VAL H . . 5.100 4.463 4.345 4.660 . 0 0 "[ . 1 . 2]" 1
759 1 43 MET HA 1 46 VAL H . . 3.970 3.454 3.328 3.622 . 0 0 "[ . 1 . 2]" 1
760 1 43 MET HA 1 46 VAL HB . . 4.290 2.617 2.291 2.769 . 0 0 "[ . 1 . 2]" 1
761 1 43 MET HA 1 46 VAL MG1 . . 4.280 4.165 3.843 4.309 0.029 9 0 "[ . 1 . 2]" 1
762 1 43 MET HA 1 46 VAL MG2 . . 4.280 3.286 2.851 3.456 . 0 0 "[ . 1 . 2]" 1
763 1 43 MET HA 1 47 CYS H . . 3.870 3.436 3.177 3.656 . 0 0 "[ . 1 . 2]" 1
764 1 43 MET QB 1 44 GLU H . . 3.900 3.627 3.562 3.692 . 0 0 "[ . 1 . 2]" 1
765 1 43 MET ME 1 44 GLU H . . 3.240 2.978 2.676 3.264 0.024 7 0 "[ . 1 . 2]" 1
766 1 43 MET ME 1 44 GLU HA . . 3.750 3.233 2.636 3.773 0.023 17 0 "[ . 1 . 2]" 1
767 1 43 MET ME 1 44 GLU QB . . 3.190 2.510 2.208 3.181 . 0 0 "[ . 1 . 2]" 1
768 1 43 MET QG 1 44 GLU H . . 3.660 2.330 2.137 2.500 . 0 0 "[ . 1 . 2]" 1
769 1 43 MET QG 1 44 GLU HA . . 5.020 4.216 3.909 4.436 . 0 0 "[ . 1 . 2]" 1
770 1 43 MET QG 1 87 THR H . . 4.600 2.938 2.351 3.869 . 0 0 "[ . 1 . 2]" 1
771 1 44 GLU H 1 44 GLU QB . . 3.350 2.275 2.226 2.319 . 0 0 "[ . 1 . 2]" 1
772 1 44 GLU H 1 44 GLU QG . . 4.100 4.060 4.022 4.105 0.005 14 0 "[ . 1 . 2]" 1
773 1 44 GLU H 1 45 VAL H . . 3.590 2.602 2.512 2.687 . 0 0 "[ . 1 . 2]" 1
774 1 44 GLU H 1 45 VAL HA . . 5.430 5.334 5.261 5.403 . 0 0 "[ . 1 . 2]" 1
775 1 44 GLU H 1 46 VAL H . . 4.440 4.038 3.892 4.131 . 0 0 "[ . 1 . 2]" 1
776 1 44 GLU H 1 47 CYS H . . 4.930 4.762 4.630 4.868 . 0 0 "[ . 1 . 2]" 1
777 1 44 GLU HA 1 44 GLU QG . . 3.290 2.587 2.358 2.942 . 0 0 "[ . 1 . 2]" 1
778 1 44 GLU QB 1 45 VAL H . . 3.860 2.547 2.416 2.748 . 0 0 "[ . 1 . 2]" 1
779 1 44 GLU QB 1 45 VAL QG . . 4.240 3.366 3.172 3.551 . 0 0 "[ . 1 . 2]" 1
780 1 44 GLU QB 1 46 VAL H . . 5.030 4.803 4.684 4.988 . 0 0 "[ . 1 . 2]" 1
781 1 44 GLU QG 1 45 VAL H . . 4.080 3.729 3.577 4.006 . 0 0 "[ . 1 . 2]" 1
782 1 44 GLU QG 1 45 VAL QG . . 4.590 3.784 3.515 4.089 . 0 0 "[ . 1 . 2]" 1
783 1 44 GLU QG 1 48 ALA MB . . 4.600 4.453 3.919 4.655 0.055 18 0 "[ . 1 . 2]" 1
784 1 45 VAL H 1 45 VAL HB . . 2.980 2.397 2.307 2.431 . 0 0 "[ . 1 . 2]" 1
785 1 45 VAL H 1 45 VAL MG1 . . 3.800 3.800 3.754 3.815 0.015 14 0 "[ . 1 . 2]" 1
786 1 45 VAL H 1 45 VAL QG . . 2.990 2.560 2.481 2.660 . 0 0 "[ . 1 . 2]" 1
787 1 45 VAL H 1 45 VAL MG2 . . 3.800 2.602 2.514 2.716 . 0 0 "[ . 1 . 2]" 1
788 1 45 VAL H 1 46 VAL H . . 3.270 2.580 2.524 2.666 . 0 0 "[ . 1 . 2]" 1
789 1 45 VAL H 1 46 VAL QG . . 4.530 3.938 3.852 4.049 . 0 0 "[ . 1 . 2]" 1
790 1 45 VAL H 1 47 CYS H . . 4.430 4.308 4.242 4.452 0.022 19 0 "[ . 1 . 2]" 1
791 1 45 VAL H 1 47 CYS QB . . 5.340 5.094 4.891 5.339 . 0 0 "[ . 1 . 2]" 1
792 1 45 VAL H 1 48 ALA H . . 5.130 5.039 4.835 5.146 0.016 18 0 "[ . 1 . 2]" 1
793 1 45 VAL HA 1 45 VAL MG1 . . 3.280 2.562 2.518 2.669 . 0 0 "[ . 1 . 2]" 1
794 1 45 VAL HA 1 45 VAL QG . . 2.870 2.122 2.103 2.145 . 0 0 "[ . 1 . 2]" 1
795 1 45 VAL HA 1 45 VAL MG2 . . 3.280 2.265 2.229 2.285 . 0 0 "[ . 1 . 2]" 1
796 1 45 VAL HA 1 46 VAL QG . . 5.440 4.781 4.708 4.824 . 0 0 "[ . 1 . 2]" 1
797 1 45 VAL HA 1 47 CYS H . . 5.180 4.759 4.633 4.864 . 0 0 "[ . 1 . 2]" 1
798 1 45 VAL HA 1 48 ALA H . . 3.820 3.680 3.543 3.788 . 0 0 "[ . 1 . 2]" 1
799 1 45 VAL HA 1 48 ALA MB . . 3.340 3.023 2.704 3.164 . 0 0 "[ . 1 . 2]" 1
800 1 45 VAL HA 1 49 ARG H . . 4.580 4.011 3.829 4.191 . 0 0 "[ . 1 . 2]" 1
801 1 45 VAL HA 1 49 ARG QD . . 4.380 3.749 3.222 4.162 . 0 0 "[ . 1 . 2]" 1
802 1 45 VAL HB 1 46 VAL H . . 3.150 2.515 2.428 2.563 . 0 0 "[ . 1 . 2]" 1
803 1 45 VAL QG 1 46 VAL H . . 4.380 2.960 2.834 3.035 . 0 0 "[ . 1 . 2]" 1
804 1 45 VAL QG 1 46 VAL HA . . 4.240 2.863 2.750 2.959 . 0 0 "[ . 1 . 2]" 1
805 1 45 VAL QG 1 48 ALA MB . . 3.710 3.588 3.424 3.717 0.007 7 0 "[ . 1 . 2]" 1
806 1 45 VAL QG 1 49 ARG QB . . 3.490 2.510 2.428 2.680 . 0 0 "[ . 1 . 2]" 1
807 1 45 VAL QG 1 49 ARG QD . . 3.790 2.281 2.028 2.567 . 0 0 "[ . 1 . 2]" 1
808 1 45 VAL QG 1 49 ARG QG . . 3.920 3.002 2.463 3.239 . 0 0 "[ . 1 . 2]" 1
809 1 45 VAL MG1 1 48 ALA MB . . 4.740 3.839 3.660 4.085 . 0 0 "[ . 1 . 2]" 1
810 1 45 VAL MG1 1 49 ARG QB . . 4.600 2.520 2.437 2.696 . 0 0 "[ . 1 . 2]" 1
811 1 45 VAL MG2 1 48 ALA MB . . 4.740 4.316 4.072 4.480 . 0 0 "[ . 1 . 2]" 1
812 1 45 VAL MG2 1 49 ARG QB . . 4.600 4.668 4.634 4.705 0.105 3 0 "[ . 1 . 2]" 1
813 1 46 VAL H 1 46 VAL HB . . 3.320 2.727 2.653 2.835 . 0 0 "[ . 1 . 2]" 1
814 1 46 VAL H 1 46 VAL QG . . 2.770 2.059 1.994 2.096 . 0 0 "[ . 1 . 2]" 1
815 1 46 VAL H 1 47 CYS H . . 3.420 2.924 2.847 3.001 . 0 0 "[ . 1 . 2]" 1
816 1 46 VAL H 1 47 CYS QB . . 5.040 4.610 4.445 4.875 . 0 0 "[ . 1 . 2]" 1
817 1 46 VAL H 1 48 ALA H . . 4.320 4.257 4.157 4.340 0.020 6 0 "[ . 1 . 2]" 1
818 1 46 VAL H 1 48 ALA MB . . 5.090 5.108 5.020 5.140 0.050 11 0 "[ . 1 . 2]" 1
819 1 46 VAL HA 1 46 VAL MG1 . . 3.700 2.323 2.293 2.360 . 0 0 "[ . 1 . 2]" 1
820 1 46 VAL HA 1 46 VAL MG2 . . 3.700 2.425 2.374 2.509 . 0 0 "[ . 1 . 2]" 1
821 1 46 VAL HA 1 49 ARG H . . 4.140 3.361 3.079 3.786 . 0 0 "[ . 1 . 2]" 1
822 1 46 VAL HA 1 50 MET H . . 4.140 3.089 2.773 3.619 . 0 0 "[ . 1 . 2]" 1
823 1 46 VAL HB 1 47 CYS H . . 3.260 2.757 2.547 2.850 . 0 0 "[ . 1 . 2]" 1
824 1 46 VAL HB 1 47 CYS HA . . 4.910 4.454 4.294 4.592 . 0 0 "[ . 1 . 2]" 1
825 1 46 VAL QG 1 47 CYS H . . 3.360 3.363 3.273 3.389 0.029 15 0 "[ . 1 . 2]" 1
826 1 46 VAL QG 1 47 CYS HA . . 4.330 3.757 3.677 3.886 . 0 0 "[ . 1 . 2]" 1
827 1 46 VAL QG 1 48 ALA H . . 4.750 4.570 4.486 4.833 0.083 19 0 "[ . 1 . 2]" 1
828 1 46 VAL QG 1 50 MET QB . . 3.690 2.415 2.097 3.030 . 0 0 "[ . 1 . 2]" 1
829 1 46 VAL QG 1 67 LEU HB2 . . 4.800 4.644 4.304 4.820 0.020 11 0 "[ . 1 . 2]" 1
830 1 46 VAL MG1 1 47 CYS H . . 4.340 3.648 3.555 3.710 . 0 0 "[ . 1 . 2]" 1
831 1 46 VAL MG2 1 47 CYS H . . 4.340 3.945 3.804 4.048 . 0 0 "[ . 1 . 2]" 1
832 1 47 CYS H 1 47 CYS HB2 . . 3.400 2.380 2.264 2.464 . 0 0 "[ . 1 . 2]" 1
833 1 47 CYS H 1 47 CYS HB3 . . 3.400 2.715 2.496 3.541 0.141 14 0 "[ . 1 . 2]" 1
834 1 47 CYS H 1 48 ALA H . . 3.200 2.889 2.808 2.954 . 0 0 "[ . 1 . 2]" 1
835 1 47 CYS H 1 48 ALA MB . . 4.600 4.599 4.547 4.615 0.015 17 0 "[ . 1 . 2]" 1
836 1 47 CYS H 1 50 MET QB . . 5.340 5.346 5.249 5.404 0.064 13 0 "[ . 1 . 2]" 1
837 1 47 CYS HA 1 50 MET QG . . 4.420 2.643 2.217 2.937 . 0 0 "[ . 1 . 2]" 1
838 1 47 CYS QB 1 48 ALA H . . 3.370 2.986 2.512 3.204 . 0 0 "[ . 1 . 2]" 1
839 1 47 CYS QB 1 49 ARG H . . 5.340 5.027 4.606 5.155 . 0 0 "[ . 1 . 2]" 1
840 1 48 ALA H 1 48 ALA MB . . 2.640 2.275 2.211 2.309 . 0 0 "[ . 1 . 2]" 1
841 1 48 ALA H 1 49 ARG H . . 3.190 2.371 2.282 2.661 . 0 0 "[ . 1 . 2]" 1
842 1 48 ALA H 1 49 ARG QB . . 4.450 4.100 3.942 4.458 0.008 6 0 "[ . 1 . 2]" 1
843 1 48 ALA H 1 50 MET H . . 4.370 4.184 4.108 4.370 . 19 0 "[ . 1 . 2]" 1
844 1 48 ALA H 1 51 VAL H . . 4.890 4.891 4.752 4.950 0.060 11 0 "[ . 1 . 2]" 1
845 1 48 ALA HA 1 49 ARG HA . . 4.950 4.756 4.712 4.802 . 0 0 "[ . 1 . 2]" 1
846 1 48 ALA HA 1 51 VAL HB . . 4.730 3.511 2.887 4.549 . 0 0 "[ . 1 . 2]" 1
847 1 48 ALA HA 1 51 VAL MG1 . . 4.960 4.294 2.261 4.851 . 0 0 "[ . 1 . 2]" 1
848 1 48 ALA HA 1 51 VAL QG . . 3.760 3.114 2.258 3.607 . 0 0 "[ . 1 . 2]" 1
849 1 48 ALA HA 1 51 VAL MG2 . . 4.960 3.469 2.463 4.932 . 0 0 "[ . 1 . 2]" 1
850 1 48 ALA MB 1 49 ARG H . . 3.050 2.396 2.274 2.641 . 0 0 "[ . 1 . 2]" 1
851 1 48 ALA MB 1 49 ARG HA . . 3.890 3.702 3.600 3.860 . 0 0 "[ . 1 . 2]" 1
852 1 48 ALA MB 1 49 ARG QB . . 3.950 3.647 3.477 3.867 . 0 0 "[ . 1 . 2]" 1
853 1 48 ALA MB 1 49 ARG QD . . 3.750 2.827 2.347 3.172 . 0 0 "[ . 1 . 2]" 1
854 1 48 ALA MB 1 52 ASP H . . 5.180 4.593 4.482 4.671 . 0 0 "[ . 1 . 2]" 1
855 1 48 ALA MB 1 53 SER H . . 5.500 5.599 5.561 5.645 0.145 15 0 "[ . 1 . 2]" 1
856 1 49 ARG H 1 49 ARG QB . . 2.960 2.114 2.037 2.214 . 0 0 "[ . 1 . 2]" 1
857 1 49 ARG H 1 49 ARG HD2 . . 4.270 3.186 2.592 3.938 . 0 0 "[ . 1 . 2]" 1
858 1 49 ARG H 1 49 ARG QD . . 3.740 2.959 2.540 3.365 . 0 0 "[ . 1 . 2]" 1
859 1 49 ARG H 1 49 ARG HD3 . . 4.270 3.658 3.041 4.312 0.042 13 0 "[ . 1 . 2]" 1
860 1 49 ARG H 1 49 ARG QG . . 4.360 3.865 3.727 4.007 . 0 0 "[ . 1 . 2]" 1
861 1 49 ARG H 1 50 MET H . . 3.450 2.750 2.487 2.884 . 0 0 "[ . 1 . 2]" 1
862 1 49 ARG H 1 50 MET QG . . 4.420 4.353 4.046 4.506 0.086 7 0 "[ . 1 . 2]" 1
863 1 49 ARG H 1 51 VAL H . . 4.150 3.951 3.669 4.101 . 0 0 "[ . 1 . 2]" 1
864 1 49 ARG H 1 51 VAL QG . . 4.580 4.608 4.113 4.737 0.157 19 0 "[ . 1 . 2]" 1
865 1 49 ARG H 1 52 ASP H . . 4.920 4.778 4.484 4.948 0.028 9 0 "[ . 1 . 2]" 1
866 1 49 ARG H 1 52 ASP QB . . 5.500 5.203 4.910 5.392 . 0 0 "[ . 1 . 2]" 1
867 1 49 ARG HA 1 49 ARG HD2 . . 4.220 2.405 2.246 3.016 . 0 0 "[ . 1 . 2]" 1
868 1 49 ARG HA 1 49 ARG QD . . 3.630 2.373 2.212 2.924 . 0 0 "[ . 1 . 2]" 1
869 1 49 ARG HA 1 49 ARG HD3 . . 4.220 3.678 3.319 3.995 . 0 0 "[ . 1 . 2]" 1
870 1 49 ARG HA 1 52 ASP H . . 3.790 3.283 3.020 3.413 . 0 0 "[ . 1 . 2]" 1
871 1 49 ARG HA 1 52 ASP QB . . 4.120 3.214 2.826 3.615 . 0 0 "[ . 1 . 2]" 1
872 1 49 ARG HA 1 53 SER H . . 4.200 2.711 2.492 2.786 . 0 0 "[ . 1 . 2]" 1
873 1 49 ARG HA 1 53 SER QB . . 4.410 2.940 2.652 3.227 . 0 0 "[ . 1 . 2]" 1
874 1 49 ARG QB 1 49 ARG QD . . 3.370 2.405 2.336 2.516 . 0 0 "[ . 1 . 2]" 1
875 1 49 ARG QB 1 50 MET H . . 3.320 2.675 2.596 2.752 . 0 0 "[ . 1 . 2]" 1
876 1 49 ARG QB 1 50 MET HA . . 4.530 3.953 3.833 4.096 . 0 0 "[ . 1 . 2]" 1
877 1 49 ARG QB 1 53 SER H . . 4.220 4.187 4.006 4.282 0.062 7 0 "[ . 1 . 2]" 1
878 1 49 ARG QG 1 50 MET H . . 4.390 4.452 4.393 4.535 0.145 6 0 "[ . 1 . 2]" 1
879 1 49 ARG QG 1 53 SER H . . 4.980 3.794 3.489 4.416 . 0 0 "[ . 1 . 2]" 1
880 1 50 MET H 1 50 MET QB . . 3.370 2.298 2.231 2.432 . 0 0 "[ . 1 . 2]" 1
881 1 50 MET H 1 50 MET QG . . 3.320 2.674 2.468 2.852 . 0 0 "[ . 1 . 2]" 1
882 1 50 MET H 1 51 VAL H . . 3.580 2.879 2.757 3.034 . 0 0 "[ . 1 . 2]" 1
883 1 50 MET H 1 52 ASP H . . 5.130 4.636 4.450 4.826 . 0 0 "[ . 1 . 2]" 1
884 1 50 MET H 1 53 SER H . . 4.690 4.794 4.758 4.829 0.139 3 0 "[ . 1 . 2]" 1
885 1 50 MET HA 1 54 CYS H . . 4.610 3.351 3.241 3.571 . 0 0 "[ . 1 . 2]" 1
886 1 50 MET QB 1 51 VAL H . . 4.230 3.757 3.678 3.895 . 0 0 "[ . 1 . 2]" 1
887 1 50 MET QB 1 51 VAL QG . . 4.790 4.229 3.906 4.840 0.050 14 0 "[ . 1 . 2]" 1
888 1 50 MET QB 1 54 CYS H . . 5.340 4.960 4.849 5.155 . 0 0 "[ . 1 . 2]" 1
889 1 50 MET QB 1 67 LEU QD . . 5.210 3.330 2.533 3.885 . 0 0 "[ . 1 . 2]" 1
890 1 50 MET QG 1 52 ASP H . . 4.860 4.898 4.713 4.979 0.119 8 0 "[ . 1 . 2]" 1
891 1 51 VAL H 1 51 VAL HB . . 3.020 2.589 2.349 2.892 . 0 0 "[ . 1 . 2]" 1
892 1 51 VAL H 1 51 VAL MG1 . . 3.840 3.683 2.280 3.879 0.039 9 0 "[ . 1 . 2]" 1
893 1 51 VAL H 1 51 VAL QG . . 2.680 2.279 2.169 2.505 . 0 0 "[ . 1 . 2]" 1
894 1 51 VAL H 1 51 VAL MG2 . . 3.840 2.450 2.181 3.853 0.013 6 0 "[ . 1 . 2]" 1
895 1 51 VAL H 1 52 ASP H . . 3.340 2.467 2.411 2.528 . 0 0 "[ . 1 . 2]" 1
896 1 51 VAL H 1 52 ASP HA . . 5.150 5.154 5.124 5.201 0.051 6 0 "[ . 1 . 2]" 1
897 1 51 VAL H 1 52 ASP QB . . 4.590 4.435 4.215 4.596 0.006 6 0 "[ . 1 . 2]" 1
898 1 51 VAL H 1 53 SER H . . 4.140 3.948 3.850 4.077 . 0 0 "[ . 1 . 2]" 1
899 1 51 VAL H 1 54 CYS H . . 4.950 4.492 4.384 4.607 . 0 0 "[ . 1 . 2]" 1
900 1 51 VAL H 1 54 CYS QB . . 5.500 4.824 4.514 5.169 . 0 0 "[ . 1 . 2]" 1
901 1 51 VAL HA 1 51 VAL MG1 . . 3.580 2.487 2.261 3.269 . 0 0 "[ . 1 . 2]" 1
902 1 51 VAL HA 1 51 VAL MG2 . . 3.580 2.436 2.188 2.695 . 0 0 "[ . 1 . 2]" 1
903 1 51 VAL HA 1 54 CYS H . . 4.660 4.661 4.462 4.743 0.083 19 0 "[ . 1 . 2]" 1
904 1 51 VAL HA 1 54 CYS QB . . 4.350 3.826 3.425 4.122 . 0 0 "[ . 1 . 2]" 1
905 1 51 VAL HA 1 58 LEU H . . 4.930 2.606 2.432 2.863 . 0 0 "[ . 1 . 2]" 1
906 1 51 VAL HB 1 52 ASP H . . 3.830 2.524 2.233 3.908 0.078 6 0 "[ . 1 . 2]" 1
907 1 51 VAL HB 1 57 ALA MB . . 5.480 4.571 4.348 4.757 . 0 0 "[ . 1 . 2]" 1
908 1 51 VAL HB 1 58 LEU H . . 5.310 5.094 3.880 5.363 0.053 11 0 "[ . 1 . 2]" 1
909 1 51 VAL QG 1 52 ASP H . . 3.100 3.026 2.230 3.167 0.067 10 0 "[ . 1 . 2]" 1
910 1 51 VAL QG 1 52 ASP HA . . 3.810 3.458 3.220 3.622 . 0 0 "[ . 1 . 2]" 1
911 1 51 VAL QG 1 52 ASP QB . . 4.250 3.818 2.678 4.210 . 0 0 "[ . 1 . 2]" 1
912 1 51 VAL QG 1 57 ALA HA . . 4.560 2.643 2.378 2.909 . 0 0 "[ . 1 . 2]" 1
913 1 51 VAL QG 1 57 ALA MB . . 4.250 2.096 2.022 2.188 . 0 0 "[ . 1 . 2]" 1
914 1 51 VAL QG 1 58 LEU HB3 . . 4.220 3.678 2.935 4.197 . 0 0 "[ . 1 . 2]" 1
915 1 51 VAL QG 1 60 PRO HA . . 4.730 4.427 4.061 4.773 0.043 14 0 "[ . 1 . 2]" 1
916 1 51 VAL QG 1 63 MET QB . . 4.900 4.241 3.217 4.917 0.017 14 0 "[ . 1 . 2]" 1
917 1 51 VAL QG 1 63 MET QG . . 4.250 4.099 3.465 4.361 0.111 3 0 "[ . 1 . 2]" 1
918 1 51 VAL MG1 1 52 ASP H . . 3.990 3.270 2.244 3.664 . 0 0 "[ . 1 . 2]" 1
919 1 51 VAL MG2 1 52 ASP H . . 3.990 3.701 3.376 3.919 . 0 0 "[ . 1 . 2]" 1
920 1 52 ASP H 1 52 ASP QB . . 2.770 2.305 2.151 2.406 . 0 0 "[ . 1 . 2]" 1
921 1 52 ASP H 1 54 CYS H . . 4.430 4.094 3.971 4.176 . 0 0 "[ . 1 . 2]" 1
922 1 52 ASP H 1 54 CYS QB . . 5.410 5.103 4.756 5.404 . 0 0 "[ . 1 . 2]" 1
923 1 52 ASP H 1 57 ALA HA . . 5.500 5.291 5.155 5.379 . 0 0 "[ . 1 . 2]" 1
924 1 52 ASP HA 1 57 ALA HA . . 5.070 5.085 4.822 5.157 0.087 20 0 "[ . 1 . 2]" 1
925 1 52 ASP QB 1 53 SER H . . 3.070 2.800 2.613 2.969 . 0 0 "[ . 1 . 2]" 1
926 1 52 ASP QB 1 53 SER HA . . 4.400 4.083 3.965 4.385 . 0 0 "[ . 1 . 2]" 1
927 1 53 SER H 1 53 SER HA . . 2.820 2.903 2.889 2.918 0.098 12 0 "[ . 1 . 2]" 1
928 1 53 SER H 1 53 SER HB2 . . 3.420 2.476 2.190 2.607 . 0 0 "[ . 1 . 2]" 1
929 1 53 SER H 1 53 SER QB . . 2.850 2.285 2.145 2.326 . 0 0 "[ . 1 . 2]" 1
930 1 53 SER H 1 53 SER HB3 . . 3.420 2.717 2.596 3.071 . 0 0 "[ . 1 . 2]" 1
931 1 53 SER H 1 54 CYS H . . 3.020 2.604 2.514 2.702 . 0 0 "[ . 1 . 2]" 1
932 1 53 SER QB 1 54 CYS H . . 3.440 2.723 2.599 2.834 . 0 0 "[ . 1 . 2]" 1
933 1 53 SER HB2 1 54 CYS H . . 3.990 3.894 3.591 3.996 0.006 2 0 "[ . 1 . 2]" 1
934 1 53 SER HB3 1 54 CYS H . . 3.990 2.782 2.641 2.946 . 0 0 "[ . 1 . 2]" 1
935 1 54 CYS H 1 54 CYS HA . . 2.910 2.911 2.884 2.933 0.023 15 0 "[ . 1 . 2]" 1
936 1 54 CYS H 1 54 CYS QB . . 3.020 2.403 2.204 2.586 . 0 0 "[ . 1 . 2]" 1
937 1 54 CYS H 1 55 GLN H . . 4.780 4.683 4.658 4.711 . 0 0 "[ . 1 . 2]" 1
938 1 54 CYS H 1 57 ALA HA . . 5.500 5.603 5.466 5.682 0.182 7 0 "[ . 1 . 2]" 1
939 1 54 CYS HA 1 56 THR H . . 4.050 4.068 3.954 4.130 0.080 18 0 "[ . 1 . 2]" 1
940 1 54 CYS QB 1 55 GLN H . . 4.650 3.224 2.710 3.695 . 0 0 "[ . 1 . 2]" 1
941 1 54 CYS QB 1 55 GLN QG . . 4.900 4.175 3.449 4.929 0.029 13 0 "[ . 1 . 2]" 1
942 1 54 CYS QB 1 56 THR H . . 3.630 3.091 2.666 3.581 . 0 0 "[ . 1 . 2]" 1
943 1 55 GLN H 1 55 GLN QG . . 4.550 2.149 1.896 2.253 . 0 0 "[ . 1 . 2]" 1
944 1 55 GLN H 1 56 THR H . . 4.060 2.777 2.608 2.873 . 0 0 "[ . 1 . 2]" 1
945 1 55 GLN HA 1 55 GLN QG . . 3.340 3.343 2.513 3.436 0.096 18 0 "[ . 1 . 2]" 1
946 1 55 GLN QB 1 56 THR H . . 3.660 3.564 2.717 3.664 0.004 14 0 "[ . 1 . 2]" 1
947 1 55 GLN HB2 1 56 THR H . . 4.190 3.915 2.772 4.060 . 0 0 "[ . 1 . 2]" 1
948 1 55 GLN HB3 1 56 THR H . . 4.190 4.131 3.912 4.254 0.064 18 0 "[ . 1 . 2]" 1
949 1 55 GLN QE 1 56 THR H . . 4.850 4.633 3.655 4.867 0.017 15 0 "[ . 1 . 2]" 1
950 1 55 GLN QG 1 56 THR H . . 3.790 2.593 2.321 3.852 0.062 13 0 "[ . 1 . 2]" 1
951 1 56 THR H 1 56 THR HB . . 3.140 2.673 2.520 2.836 . 0 0 "[ . 1 . 2]" 1
952 1 56 THR H 1 57 ALA H . . 4.810 4.377 4.334 4.484 . 0 0 "[ . 1 . 2]" 1
953 1 56 THR H 1 57 ALA MB . . 5.480 5.464 5.326 5.525 0.045 13 0 "[ . 1 . 2]" 1
954 1 56 THR HA 1 56 THR MG . . 3.730 2.333 2.209 2.435 . 0 0 "[ . 1 . 2]" 1
955 1 56 THR HA 1 57 ALA H . . 3.390 2.175 2.150 2.224 . 0 0 "[ . 1 . 2]" 1
956 1 56 THR HA 1 57 ALA MB . . 4.140 3.995 3.963 4.058 . 0 0 "[ . 1 . 2]" 1
957 1 56 THR HB 1 57 ALA H . . 4.510 4.271 4.076 4.421 . 0 0 "[ . 1 . 2]" 1
958 1 56 THR HB 1 57 ALA HA . . 5.380 5.133 4.862 5.315 . 0 0 "[ . 1 . 2]" 1
959 1 56 THR HB 1 58 LEU H . . 5.500 5.396 4.929 5.617 0.117 13 0 "[ . 1 . 2]" 1
960 1 56 THR MG 1 57 ALA MB . . 4.670 3.936 3.769 4.113 . 0 0 "[ . 1 . 2]" 1
961 1 57 ALA H 1 57 ALA MB . . 3.350 2.189 2.162 2.231 . 0 0 "[ . 1 . 2]" 1
962 1 57 ALA H 1 58 LEU H . . 4.410 4.463 4.344 4.558 0.148 13 0 "[ . 1 . 2]" 1
963 1 57 ALA HA 1 58 LEU H . . 2.840 2.202 2.137 2.278 . 0 0 "[ . 1 . 2]" 1
964 1 57 ALA MB 1 58 LEU H . . 3.700 3.312 2.936 3.570 . 0 0 "[ . 1 . 2]" 1
965 1 58 LEU H 1 58 LEU HB2 . . 3.100 2.792 2.530 3.102 0.002 8 0 "[ . 1 . 2]" 1
966 1 58 LEU H 1 58 LEU HB3 . . 3.180 2.472 2.350 2.604 . 0 0 "[ . 1 . 2]" 1
967 1 58 LEU H 1 58 LEU MD1 . . 4.510 4.338 4.188 4.517 0.007 8 0 "[ . 1 . 2]" 1
968 1 58 LEU H 1 58 LEU MD2 . . 4.380 4.326 4.203 4.429 0.049 13 0 "[ . 1 . 2]" 1
969 1 58 LEU H 1 58 LEU HG . . 4.610 4.478 4.384 4.557 . 0 0 "[ . 1 . 2]" 1
970 1 58 LEU H 1 59 SER H . . 5.140 4.619 4.543 4.707 . 0 0 "[ . 1 . 2]" 1
971 1 58 LEU HA 1 58 LEU MD1 . . 3.230 2.224 2.151 2.414 . 0 0 "[ . 1 . 2]" 1
972 1 58 LEU HA 1 58 LEU MD2 . . 4.310 3.900 3.844 3.999 . 0 0 "[ . 1 . 2]" 1
973 1 58 LEU HA 1 59 SER H . . 3.020 2.316 2.236 2.438 . 0 0 "[ . 1 . 2]" 1
974 1 58 LEU HB2 1 58 LEU MD1 . . 3.280 2.422 2.325 2.485 . 0 0 "[ . 1 . 2]" 1
975 1 58 LEU HB3 1 58 LEU MD1 . . 3.330 3.247 3.197 3.268 . 0 0 "[ . 1 . 2]" 1
976 1 58 LEU HB3 1 59 SER H . . 3.870 3.880 3.790 3.935 0.065 8 0 "[ . 1 . 2]" 1
977 1 58 LEU HB3 1 63 MET H . . 5.470 5.062 4.471 5.504 0.034 18 0 "[ . 1 . 2]" 1
978 1 58 LEU MD1 1 59 SER H . . 3.460 2.055 1.770 2.358 . 0 0 "[ . 1 . 2]" 1
979 1 58 LEU MD1 1 62 GLU H . . 4.730 4.546 4.247 4.744 0.014 6 0 "[ . 1 . 2]" 1
980 1 58 LEU MD1 1 62 GLU QB . . 4.010 2.441 2.174 2.708 . 0 0 "[ . 1 . 2]" 1
981 1 58 LEU MD1 1 62 GLU QG . . 3.800 3.145 2.765 3.822 0.022 4 0 "[ . 1 . 2]" 1
982 1 58 LEU MD1 1 63 MET H . . 4.820 4.232 3.811 4.460 . 0 0 "[ . 1 . 2]" 1
983 1 58 LEU MD1 1 63 MET HA . . 4.620 4.566 4.137 4.728 0.108 5 0 "[ . 1 . 2]" 1
984 1 58 LEU MD2 1 59 SER H . . 4.120 4.042 3.943 4.133 0.013 5 0 "[ . 1 . 2]" 1
985 1 58 LEU MD2 1 62 GLU H . . 4.940 4.801 4.276 4.975 0.035 4 0 "[ . 1 . 2]" 1
986 1 58 LEU MD2 1 63 MET H . . 4.840 3.382 2.900 3.890 . 0 0 "[ . 1 . 2]" 1
987 1 58 LEU MD2 1 63 MET HA . . 4.230 2.432 2.197 3.014 . 0 0 "[ . 1 . 2]" 1
988 1 58 LEU HG 1 59 SER H . . 3.730 2.518 2.313 2.696 . 0 0 "[ . 1 . 2]" 1
989 1 58 LEU HG 1 62 GLU H . . 4.460 4.363 4.111 4.509 0.049 11 0 "[ . 1 . 2]" 1
990 1 58 LEU HG 1 63 MET H . . 4.730 3.253 3.044 3.506 . 0 0 "[ . 1 . 2]" 1
991 1 58 LEU HG 1 63 MET HA . . 4.580 3.861 3.478 4.234 . 0 0 "[ . 1 . 2]" 1
992 1 59 SER H 1 59 SER QB . . 3.640 2.420 2.201 2.514 . 0 0 "[ . 1 . 2]" 1
993 1 59 SER H 1 61 GLY H . . 5.500 5.470 5.236 5.550 0.050 3 0 "[ . 1 . 2]" 1
994 1 59 SER H 1 62 GLU H . . 5.290 4.714 4.515 4.869 . 0 0 "[ . 1 . 2]" 1
995 1 59 SER H 1 62 GLU QB . . 4.090 3.729 3.175 4.105 0.015 10 0 "[ . 1 . 2]" 1
996 1 59 SER H 1 62 GLU QG . . 4.720 4.320 3.826 4.722 0.002 10 0 "[ . 1 . 2]" 1
997 1 59 SER H 1 63 MET H . . 4.860 4.798 4.599 4.907 0.047 7 0 "[ . 1 . 2]" 1
998 1 59 SER QB 1 62 GLU H . . 4.730 2.842 2.487 3.079 . 0 0 "[ . 1 . 2]" 1
999 1 59 SER QB 1 62 GLU QB . . 3.650 3.076 2.451 3.514 . 0 0 "[ . 1 . 2]" 1
1000 1 59 SER QB 1 63 MET H . . 4.810 4.069 3.825 4.255 . 0 0 "[ . 1 . 2]" 1
1001 1 60 PRO HA 1 63 MET H . . 5.020 3.517 3.282 3.892 . 0 0 "[ . 1 . 2]" 1
1002 1 60 PRO HA 1 63 MET QB . . 4.150 2.604 2.060 3.702 . 0 0 "[ . 1 . 2]" 1
1003 1 60 PRO QB 1 61 GLY QA . . 4.650 4.044 3.921 4.125 . 0 0 "[ . 1 . 2]" 1
1004 1 60 PRO QG 1 61 GLY H . . 4.920 2.671 2.512 2.777 . 0 0 "[ . 1 . 2]" 1
1005 1 61 GLY H 1 62 GLU H . . 4.500 2.670 2.414 2.814 . 0 0 "[ . 1 . 2]" 1
1006 1 61 GLY QA 1 62 GLU H . . 3.500 2.728 2.640 2.806 . 0 0 "[ . 1 . 2]" 1
1007 1 61 GLY QA 1 62 GLU QB . . 5.360 4.638 4.572 4.702 . 0 0 "[ . 1 . 2]" 1
1008 1 61 GLY QA 1 63 MET H . . 4.240 4.201 4.039 4.279 0.039 9 0 "[ . 1 . 2]" 1
1009 1 62 GLU H 1 62 GLU QB . . 3.350 2.443 2.371 2.560 . 0 0 "[ . 1 . 2]" 1
1010 1 62 GLU H 1 62 GLU QG . . 3.560 2.529 2.362 2.686 . 0 0 "[ . 1 . 2]" 1
1011 1 62 GLU H 1 63 MET H . . 3.770 2.477 2.309 2.639 . 0 0 "[ . 1 . 2]" 1
1012 1 62 GLU H 1 63 MET QB . . 5.030 4.243 3.904 4.753 . 0 0 "[ . 1 . 2]" 1
1013 1 62 GLU H 1 64 GLU H . . 5.500 4.537 4.087 5.082 . 0 0 "[ . 1 . 2]" 1
1014 1 62 GLU HA 1 63 MET HA . . 5.060 4.902 4.693 4.995 . 0 0 "[ . 1 . 2]" 1
1015 1 62 GLU HA 1 65 LYS H . . 3.880 3.572 3.323 3.769 . 0 0 "[ . 1 . 2]" 1
1016 1 62 GLU HA 1 65 LYS QB . . 4.030 2.819 2.231 4.047 0.017 12 0 "[ . 1 . 2]" 1
1017 1 62 GLU HA 1 65 LYS QD . . 5.420 4.881 3.794 5.426 0.006 17 0 "[ . 1 . 2]" 1
1018 1 62 GLU HA 1 66 HIS H . . 4.470 4.280 4.105 4.510 0.040 6 0 "[ . 1 . 2]" 1
1019 1 62 GLU QB 1 63 MET H . . 3.940 2.621 2.467 2.900 . 0 0 "[ . 1 . 2]" 1
1020 1 62 GLU QB 1 66 HIS H . . 4.340 4.405 4.247 4.492 0.152 9 0 "[ . 1 . 2]" 1
1021 1 62 GLU QG 1 63 MET H . . 4.130 4.137 4.024 4.180 0.050 2 0 "[ . 1 . 2]" 1
1022 1 63 MET H 1 63 MET HB2 . . 4.160 2.827 2.367 3.636 . 0 0 "[ . 1 . 2]" 1
1023 1 63 MET H 1 63 MET QB . . 3.500 2.248 2.141 2.420 . 0 0 "[ . 1 . 2]" 1
1024 1 63 MET H 1 63 MET HB3 . . 4.160 2.479 2.283 3.610 . 0 0 "[ . 1 . 2]" 1
1025 1 63 MET H 1 63 MET QG . . 4.520 3.526 2.451 4.050 . 0 0 "[ . 1 . 2]" 1
1026 1 63 MET H 1 64 GLU H . . 4.130 3.088 2.857 3.287 . 0 0 "[ . 1 . 2]" 1
1027 1 63 MET H 1 65 LYS H . . 4.850 4.527 4.386 4.656 . 0 0 "[ . 1 . 2]" 1
1028 1 63 MET HA 1 66 HIS H . . 4.210 3.522 2.975 3.984 . 0 0 "[ . 1 . 2]" 1
1029 1 63 MET HA 1 67 LEU H . . 4.380 3.968 3.407 4.462 0.082 16 0 "[ . 1 . 2]" 1
1030 1 63 MET HA 1 67 LEU HG . . 5.060 4.023 3.640 4.544 . 0 0 "[ . 1 . 2]" 1
1031 1 63 MET QB 1 67 LEU QD . . 4.450 3.781 2.831 4.385 . 0 0 "[ . 1 . 2]" 1
1032 1 63 MET QG 1 67 LEU H . . 5.080 4.690 4.018 5.244 0.164 6 0 "[ . 1 . 2]" 1
1033 1 63 MET QG 1 67 LEU QD . . 4.400 2.920 2.104 3.890 . 0 0 "[ . 1 . 2]" 1
1034 1 63 MET QG 1 67 LEU HG . . 4.270 3.589 2.736 4.359 0.089 17 0 "[ . 1 . 2]" 1
1035 1 64 GLU H 1 65 LYS H . . 3.700 2.776 2.641 2.901 . 0 0 "[ . 1 . 2]" 1
1036 1 64 GLU HA 1 64 GLU HG2 . . 3.940 3.206 2.485 3.813 . 0 0 "[ . 1 . 2]" 1
1037 1 64 GLU HA 1 64 GLU HG3 . . 3.940 2.673 2.332 3.815 . 0 0 "[ . 1 . 2]" 1
1038 1 64 GLU HA 1 67 LEU H . . 3.790 3.675 3.437 3.829 0.039 17 0 "[ . 1 . 2]" 1
1039 1 64 GLU HA 1 67 LEU HB2 . . 4.440 2.907 2.540 3.031 . 0 0 "[ . 1 . 2]" 1
1040 1 64 GLU HA 1 67 LEU HB3 . . 4.500 4.498 4.097 4.602 0.102 17 0 "[ . 1 . 2]" 1
1041 1 64 GLU HA 1 67 LEU QD . . 3.980 2.718 2.243 3.310 . 0 0 "[ . 1 . 2]" 1
1042 1 64 GLU QB 1 65 LYS H . . 3.280 2.581 2.381 3.354 0.074 14 0 "[ . 1 . 2]" 1
1043 1 64 GLU QB 1 67 LEU QD . . 5.080 4.233 3.899 4.636 . 0 0 "[ . 1 . 2]" 1
1044 1 64 GLU QB 1 68 VAL QG . . 4.670 4.497 3.955 4.683 0.013 9 0 "[ . 1 . 2]" 1
1045 1 64 GLU QG 1 67 LEU QD . . 5.280 4.138 3.399 5.163 . 0 0 "[ . 1 . 2]" 1
1046 1 64 GLU QG 1 68 VAL QG . . 4.190 3.651 3.284 4.214 0.024 14 0 "[ . 1 . 2]" 1
1047 1 65 LYS H 1 65 LYS QB . . 3.160 2.372 2.078 2.545 . 0 0 "[ . 1 . 2]" 1
1048 1 65 LYS H 1 65 LYS QD . . 4.450 4.157 3.389 4.487 0.037 13 0 "[ . 1 . 2]" 1
1049 1 65 LYS H 1 65 LYS QE . . 4.550 4.080 3.045 4.599 0.049 16 0 "[ . 1 . 2]" 1
1050 1 65 LYS H 1 65 LYS QG . . 2.960 2.439 2.104 2.986 0.026 11 0 "[ . 1 . 2]" 1
1051 1 65 LYS H 1 66 HIS H . . 3.730 2.676 2.357 2.879 . 0 0 "[ . 1 . 2]" 1
1052 1 65 LYS H 1 66 HIS QB . . 5.210 4.609 4.207 4.909 . 0 0 "[ . 1 . 2]" 1
1053 1 65 LYS H 1 67 LEU H . . 4.740 4.372 4.145 4.497 . 0 0 "[ . 1 . 2]" 1
1054 1 65 LYS H 1 67 LEU HB2 . . 5.490 5.288 5.131 5.492 0.002 13 0 "[ . 1 . 2]" 1
1055 1 65 LYS H 1 68 VAL H . . 5.230 4.997 4.903 5.097 . 0 0 "[ . 1 . 2]" 1
1056 1 65 LYS H 1 68 VAL QG . . 3.990 4.031 3.956 4.062 0.072 9 0 "[ . 1 . 2]" 1
1057 1 65 LYS HA 1 65 LYS QD . . 4.460 3.206 2.179 4.303 . 0 0 "[ . 1 . 2]" 1
1058 1 65 LYS HA 1 65 LYS QE . . 4.030 2.636 1.863 4.099 0.069 15 0 "[ . 1 . 2]" 1
1059 1 65 LYS HA 1 66 HIS HA . . 4.870 4.770 4.712 4.817 . 0 0 "[ . 1 . 2]" 1
1060 1 65 LYS HA 1 68 VAL H . . 4.100 3.856 3.699 3.938 . 0 0 "[ . 1 . 2]" 1
1061 1 65 LYS HA 1 68 VAL MG1 . . 4.470 2.070 2.002 2.123 . 0 0 "[ . 1 . 2]" 1
1062 1 65 LYS HA 1 68 VAL QG . . 3.740 2.067 2.000 2.119 . 0 0 "[ . 1 . 2]" 1
1063 1 65 LYS HA 1 68 VAL MG2 . . 4.470 4.518 4.483 4.553 0.083 1 0 "[ . 1 . 2]" 1
1064 1 65 LYS QB 1 65 LYS QE . . 3.250 2.514 1.998 3.453 0.203 4 0 "[ . 1 . 2]" 1
1065 1 65 LYS QB 1 66 HIS H . . 3.380 2.852 2.674 3.549 0.169 12 0 "[ . 1 . 2]" 1
1066 1 65 LYS QB 1 68 VAL QG . . 4.450 3.570 3.294 3.700 . 0 0 "[ . 1 . 2]" 1
1067 1 65 LYS HB2 1 66 HIS H . . 4.010 2.969 2.735 3.956 . 0 0 "[ . 1 . 2]" 1
1068 1 65 LYS HB3 1 66 HIS H . . 4.010 3.775 3.428 4.012 0.002 12 0 "[ . 1 . 2]" 1
1069 1 65 LYS QD 1 68 VAL QG . . 4.960 3.947 2.927 4.823 . 0 0 "[ . 1 . 2]" 1
1070 1 65 LYS QE 1 65 LYS QG . . 3.210 2.372 2.122 2.742 . 0 0 "[ . 1 . 2]" 1
1071 1 65 LYS QG 1 68 VAL QG . . 4.280 3.986 3.170 4.339 0.059 12 0 "[ . 1 . 2]" 1
1072 1 66 HIS H 1 66 HIS HB2 . . 3.740 2.346 2.149 2.531 . 0 0 "[ . 1 . 2]" 1
1073 1 66 HIS H 1 66 HIS HB3 . . 3.740 3.472 2.497 3.649 . 0 0 "[ . 1 . 2]" 1
1074 1 66 HIS H 1 67 LEU H . . 3.360 2.616 2.443 2.767 . 0 0 "[ . 1 . 2]" 1
1075 1 66 HIS H 1 67 LEU HB2 . . 4.940 4.575 4.319 4.702 . 0 0 "[ . 1 . 2]" 1
1076 1 66 HIS H 1 67 LEU HG . . 5.370 4.639 4.375 4.889 . 0 0 "[ . 1 . 2]" 1
1077 1 66 HIS H 1 68 VAL H . . 4.120 4.123 3.988 4.183 0.063 17 0 "[ . 1 . 2]" 1
1078 1 66 HIS H 1 68 VAL QG . . 3.860 3.927 3.865 3.998 0.138 20 0 "[ . 1 . 2]" 1
1079 1 66 HIS H 1 69 LEU H . . 4.510 4.576 4.545 4.631 0.121 6 0 "[ . 1 . 2]" 1
1080 1 66 HIS H 1 69 LEU QB . . 5.340 4.510 4.356 5.208 . 0 0 "[ . 1 . 2]" 1
1081 1 66 HIS HA 1 69 LEU H . . 3.470 3.297 3.162 3.479 0.009 14 0 "[ . 1 . 2]" 1
1082 1 66 HIS HA 1 69 LEU QB . . 4.400 2.290 2.027 3.400 . 0 0 "[ . 1 . 2]" 1
1083 1 66 HIS HA 1 69 LEU QD . . 4.690 3.089 2.346 3.730 . 0 0 "[ . 1 . 2]" 1
1084 1 66 HIS QB 1 67 LEU H . . 3.490 2.631 2.469 2.753 . 0 0 "[ . 1 . 2]" 1
1085 1 66 HIS QB 1 67 LEU HG . . 5.170 3.688 3.354 3.991 . 0 0 "[ . 1 . 2]" 1
1086 1 66 HIS QB 1 68 VAL H . . 4.830 4.775 4.631 4.833 0.003 19 0 "[ . 1 . 2]" 1
1087 1 66 HIS QB 1 69 LEU H . . 5.340 4.800 4.689 4.937 . 0 0 "[ . 1 . 2]" 1
1088 1 66 HIS HB2 1 67 LEU H . . 3.980 2.885 2.671 3.840 . 0 0 "[ . 1 . 2]" 1
1089 1 66 HIS HB2 1 68 VAL H . . 5.500 5.288 5.157 5.658 0.158 4 0 "[ . 1 . 2]" 1
1090 1 66 HIS HB3 1 67 LEU H . . 3.980 3.340 2.499 3.658 . 0 0 "[ . 1 . 2]" 1
1091 1 66 HIS HB3 1 68 VAL H . . 5.500 5.481 4.915 5.594 0.094 7 0 "[ . 1 . 2]" 1
1092 1 67 LEU H 1 67 LEU HB2 . . 3.420 2.364 2.286 2.422 . 0 0 "[ . 1 . 2]" 1
1093 1 67 LEU H 1 67 LEU HB3 . . 3.710 3.571 3.542 3.606 . 0 0 "[ . 1 . 2]" 1
1094 1 67 LEU H 1 67 LEU MD1 . . 4.070 3.543 3.185 3.842 . 0 0 "[ . 1 . 2]" 1
1095 1 67 LEU H 1 67 LEU QD . . 3.500 3.154 3.045 3.228 . 0 0 "[ . 1 . 2]" 1
1096 1 67 LEU H 1 67 LEU MD2 . . 4.070 3.585 3.380 3.871 . 0 0 "[ . 1 . 2]" 1
1097 1 67 LEU H 1 67 LEU HG . . 3.210 2.454 2.242 2.616 . 0 0 "[ . 1 . 2]" 1
1098 1 67 LEU H 1 68 VAL H . . 3.960 2.789 2.719 2.842 . 0 0 "[ . 1 . 2]" 1
1099 1 67 LEU H 1 68 VAL HA . . 5.500 5.458 5.394 5.513 0.013 6 0 "[ . 1 . 2]" 1
1100 1 67 LEU H 1 68 VAL QG . . 4.310 3.903 3.842 3.996 . 0 0 "[ . 1 . 2]" 1
1101 1 67 LEU H 1 69 LEU H . . 4.450 4.153 4.047 4.366 . 0 0 "[ . 1 . 2]" 1
1102 1 67 LEU HA 1 67 LEU MD1 . . 3.970 3.856 3.803 3.893 . 0 0 "[ . 1 . 2]" 1
1103 1 67 LEU HA 1 67 LEU QD . . 2.990 2.119 2.032 2.273 . 0 0 "[ . 1 . 2]" 1
1104 1 67 LEU HA 1 67 LEU MD2 . . 3.970 2.129 2.040 2.290 . 0 0 "[ . 1 . 2]" 1
1105 1 67 LEU HA 1 67 LEU HG . . 3.780 2.989 2.640 3.235 . 0 0 "[ . 1 . 2]" 1
1106 1 67 LEU HB2 1 68 VAL H . . 3.620 2.605 2.513 2.713 . 0 0 "[ . 1 . 2]" 1
1107 1 67 LEU HB2 1 68 VAL QG . . 4.050 4.027 3.922 4.094 0.044 14 0 "[ . 1 . 2]" 1
1108 1 67 LEU HB3 1 68 VAL H . . 4.910 3.461 3.360 3.592 . 0 0 "[ . 1 . 2]" 1
1109 1 67 LEU QD 1 78 LEU QD . . 4.030 3.050 2.589 3.447 . 0 0 "[ . 1 . 2]" 1
1110 1 67 LEU HG 1 68 VAL H . . 5.010 4.562 4.458 4.680 . 0 0 "[ . 1 . 2]" 1
1111 1 68 VAL H 1 68 VAL HB . . 3.140 2.664 2.567 2.796 . 0 0 "[ . 1 . 2]" 1
1112 1 68 VAL H 1 68 VAL MG1 . . 3.900 2.040 1.951 2.131 . 0 0 "[ . 1 . 2]" 1
1113 1 68 VAL H 1 68 VAL QG . . 3.310 2.033 1.945 2.120 . 0 0 "[ . 1 . 2]" 1
1114 1 68 VAL H 1 68 VAL MG2 . . 3.900 3.832 3.796 3.863 . 0 0 "[ . 1 . 2]" 1
1115 1 68 VAL H 1 69 LEU H . . 3.050 2.626 2.555 2.681 . 0 0 "[ . 1 . 2]" 1
1116 1 68 VAL H 1 69 LEU HA . . 5.190 5.228 5.194 5.258 0.068 18 0 "[ . 1 . 2]" 1
1117 1 68 VAL H 1 69 LEU QB . . 5.140 4.292 4.178 4.659 . 0 0 "[ . 1 . 2]" 1
1118 1 68 VAL H 1 80 LEU QD . . 4.560 3.658 3.430 4.012 . 0 0 "[ . 1 . 2]" 1
1119 1 68 VAL HA 1 68 VAL MG1 . . 3.440 3.267 3.250 3.281 . 0 0 "[ . 1 . 2]" 1
1120 1 68 VAL HA 1 68 VAL QG . . 3.010 2.324 2.282 2.431 . 0 0 "[ . 1 . 2]" 1
1121 1 68 VAL HA 1 68 VAL MG2 . . 3.440 2.379 2.329 2.506 . 0 0 "[ . 1 . 2]" 1
1122 1 68 VAL HA 1 70 LEU H . . 4.820 4.394 4.242 4.603 . 0 0 "[ . 1 . 2]" 1
1123 1 68 VAL HA 1 71 ALA H . . 3.970 3.786 3.602 3.938 . 0 0 "[ . 1 . 2]" 1
1124 1 68 VAL HA 1 71 ALA MB . . 3.820 3.231 3.121 3.414 . 0 0 "[ . 1 . 2]" 1
1125 1 68 VAL HA 1 72 GLU H . . 4.900 4.434 4.102 4.615 . 0 0 "[ . 1 . 2]" 1
1126 1 68 VAL HA 1 80 LEU H . . 5.500 5.567 5.495 5.688 0.188 6 0 "[ . 1 . 2]" 1
1127 1 68 VAL HA 1 80 LEU QD . . 3.580 2.175 1.895 2.474 . 0 0 "[ . 1 . 2]" 1
1128 1 68 VAL HB 1 69 LEU H . . 4.220 4.044 3.954 4.148 . 0 0 "[ . 1 . 2]" 1
1129 1 68 VAL HB 1 80 LEU QD . . 3.930 2.979 2.365 3.489 . 0 0 "[ . 1 . 2]" 1
1130 1 68 VAL QG 1 69 LEU H . . 2.890 2.248 2.172 2.372 . 0 0 "[ . 1 . 2]" 1
1131 1 68 VAL QG 1 69 LEU HA . . 3.510 3.175 3.094 3.282 . 0 0 "[ . 1 . 2]" 1
1132 1 68 VAL QG 1 69 LEU QB . . 4.900 3.269 2.940 3.445 . 0 0 "[ . 1 . 2]" 1
1133 1 68 VAL QG 1 71 ALA MB . . 4.280 3.551 3.360 3.793 . 0 0 "[ . 1 . 2]" 1
1134 1 68 VAL QG 1 78 LEU QD . . 5.140 4.571 4.419 4.755 . 0 0 "[ . 1 . 2]" 1
1135 1 68 VAL QG 1 80 LEU QD . . 3.180 2.740 2.048 3.202 0.022 1 0 "[ . 1 . 2]" 1
1136 1 68 VAL QG 1 80 LEU HG . . 4.620 3.056 2.468 4.164 . 0 0 "[ . 1 . 2]" 1
1137 1 68 VAL MG1 1 69 LEU H . . 3.640 2.269 2.187 2.403 . 0 0 "[ . 1 . 2]" 1
1138 1 68 VAL MG1 1 69 LEU HA . . 4.210 3.429 3.289 3.634 . 0 0 "[ . 1 . 2]" 1
1139 1 68 VAL MG2 1 69 LEU H . . 3.640 3.674 3.633 3.704 0.064 16 0 "[ . 1 . 2]" 1
1140 1 68 VAL MG2 1 69 LEU HA . . 4.210 3.758 3.594 3.927 . 0 0 "[ . 1 . 2]" 1
1141 1 69 LEU H 1 69 LEU QB . . 2.890 2.110 1.997 2.314 . 0 0 "[ . 1 . 2]" 1
1142 1 69 LEU H 1 69 LEU QD . . 4.520 3.524 3.144 3.767 . 0 0 "[ . 1 . 2]" 1
1143 1 69 LEU H 1 70 LEU H . . 3.450 2.977 2.807 3.154 . 0 0 "[ . 1 . 2]" 1
1144 1 69 LEU H 1 72 GLU H . . 5.110 4.850 4.759 5.037 . 0 0 "[ . 1 . 2]" 1
1145 1 69 LEU H 1 78 LEU QD . . 5.290 5.236 5.040 5.309 0.019 4 0 "[ . 1 . 2]" 1
1146 1 69 LEU HA 1 69 LEU QD . . 3.470 2.444 1.959 3.282 . 0 0 "[ . 1 . 2]" 1
1147 1 69 LEU HA 1 72 GLU H . . 3.470 3.354 3.056 3.496 0.026 7 0 "[ . 1 . 2]" 1
1148 1 69 LEU QB 1 70 LEU H . . 4.390 2.781 2.495 3.729 . 0 0 "[ . 1 . 2]" 1
1149 1 69 LEU QD 1 70 LEU H . . 4.320 3.836 3.154 4.031 . 0 0 "[ . 1 . 2]" 1
1150 1 69 LEU QD 1 70 LEU HA . . 4.000 3.887 2.831 4.123 0.123 7 0 "[ . 1 . 2]" 1
1151 1 69 LEU QD 1 73 LEU H . . 4.180 4.015 3.850 4.186 0.006 20 0 "[ . 1 . 2]" 1
1152 1 69 LEU QD 1 73 LEU QD . . 3.140 1.986 1.841 2.290 . 0 0 "[ . 1 . 2]" 1
1153 1 70 LEU H 1 70 LEU HB2 . . 3.100 2.301 2.145 2.415 . 0 0 "[ . 1 . 2]" 1
1154 1 70 LEU H 1 70 LEU QD . . 4.370 2.914 2.120 3.288 . 0 0 "[ . 1 . 2]" 1
1155 1 70 LEU HA 1 70 LEU QD . . 3.980 2.090 2.000 2.193 . 0 0 "[ . 1 . 2]" 1
1156 1 70 LEU HA 1 73 LEU QD . . 4.630 3.084 2.634 3.308 . 0 0 "[ . 1 . 2]" 1
1157 1 70 LEU HA 1 78 LEU QD . . 5.310 4.197 4.119 4.321 . 0 0 "[ . 1 . 2]" 1
1158 1 70 LEU HA 1 104 LEU QB . . 5.150 5.045 4.755 5.232 0.082 8 0 "[ . 1 . 2]" 1
1159 1 70 LEU HB2 1 71 ALA H . . 3.730 2.551 2.416 2.762 . 0 0 "[ . 1 . 2]" 1
1160 1 70 LEU HB2 1 71 ALA MB . . 4.370 4.155 4.030 4.391 0.021 7 0 "[ . 1 . 2]" 1
1161 1 70 LEU HB2 1 78 LEU QD . . 4.180 2.207 2.021 2.440 . 0 0 "[ . 1 . 2]" 1
1162 1 70 LEU HB2 1 89 VAL QG . . 5.170 4.947 4.654 5.244 0.074 19 0 "[ . 1 . 2]" 1
1163 1 70 LEU HB3 1 71 ALA H . . 3.070 3.073 2.824 3.150 0.080 9 0 "[ . 1 . 2]" 1
1164 1 70 LEU HB3 1 71 ALA MB . . 4.720 4.368 4.176 4.510 . 0 0 "[ . 1 . 2]" 1
1165 1 70 LEU HB3 1 74 LEU QD . . 3.700 3.551 3.336 3.750 0.050 17 0 "[ . 1 . 2]" 1
1166 1 70 LEU HB3 1 78 LEU QB . . 4.340 2.649 2.321 3.037 . 0 0 "[ . 1 . 2]" 1
1167 1 70 LEU HB3 1 78 LEU QD . . 3.890 2.383 2.255 2.708 . 0 0 "[ . 1 . 2]" 1
1168 1 70 LEU HB3 1 78 LEU HG . . 4.810 4.806 4.621 4.899 0.089 15 0 "[ . 1 . 2]" 1
1169 1 70 LEU QD 1 73 LEU HB2 . . 4.710 3.993 3.616 4.506 . 0 0 "[ . 1 . 2]" 1
1170 1 70 LEU QD 1 73 LEU QD . . 4.600 3.270 3.048 4.062 . 0 0 "[ . 1 . 2]" 1
1171 1 70 LEU QD 1 74 LEU QD . . 3.570 3.135 2.480 3.456 . 0 0 "[ . 1 . 2]" 1
1172 1 70 LEU QD 1 78 LEU QD . . 5.180 2.444 2.073 3.210 . 0 0 "[ . 1 . 2]" 1
1173 1 70 LEU QD 1 104 LEU QB . . 3.780 3.747 3.594 3.829 0.049 7 0 "[ . 1 . 2]" 1
1174 1 70 LEU QD 1 104 LEU QD . . 3.090 2.185 1.959 2.637 . 0 0 "[ . 1 . 2]" 1
1175 1 71 ALA H 1 71 ALA MB . . 2.770 2.228 2.114 2.261 . 0 0 "[ . 1 . 2]" 1
1176 1 71 ALA H 1 72 GLU H . . 3.020 2.822 2.715 2.915 . 0 0 "[ . 1 . 2]" 1
1177 1 71 ALA H 1 73 LEU H . . 4.480 4.350 4.267 4.458 . 0 0 "[ . 1 . 2]" 1
1178 1 71 ALA H 1 78 LEU QB . . 3.390 3.357 3.022 3.460 0.070 1 0 "[ . 1 . 2]" 1
1179 1 71 ALA H 1 78 LEU QD . . 3.330 2.092 2.022 2.195 . 0 0 "[ . 1 . 2]" 1
1180 1 71 ALA H 1 80 LEU H . . 5.500 5.508 5.372 5.644 0.144 20 0 "[ . 1 . 2]" 1
1181 1 71 ALA HA 1 74 LEU H . . 3.780 3.304 3.206 3.371 . 0 0 "[ . 1 . 2]" 1
1182 1 71 ALA HA 1 74 LEU QD . . 3.970 3.401 2.951 3.666 . 0 0 "[ . 1 . 2]" 1
1183 1 71 ALA HA 1 76 ASP H . . 5.270 4.832 4.678 4.979 . 0 0 "[ . 1 . 2]" 1
1184 1 71 ALA HA 1 77 TRP H . . 5.500 5.218 4.766 5.523 0.023 16 0 "[ . 1 . 2]" 1
1185 1 71 ALA HA 1 78 LEU H . . 4.360 3.887 3.654 4.138 . 0 0 "[ . 1 . 2]" 1
1186 1 71 ALA HA 1 78 LEU QB . . 4.230 3.006 2.565 3.558 . 0 0 "[ . 1 . 2]" 1
1187 1 71 ALA HA 1 78 LEU QD . . 4.040 3.291 3.037 3.767 . 0 0 "[ . 1 . 2]" 1
1188 1 71 ALA HA 1 79 SER H . . 5.500 5.531 5.383 5.590 0.090 13 0 "[ . 1 . 2]" 1
1189 1 71 ALA HA 1 80 LEU H . . 5.500 5.128 4.967 5.303 . 0 0 "[ . 1 . 2]" 1
1190 1 71 ALA MB 1 72 GLU H . . 3.070 2.797 2.698 2.934 . 0 0 "[ . 1 . 2]" 1
1191 1 71 ALA MB 1 73 LEU H . . 4.550 4.567 4.492 4.624 0.074 9 0 "[ . 1 . 2]" 1
1192 1 71 ALA MB 1 74 LEU H . . 4.540 4.580 4.477 4.630 0.090 12 0 "[ . 1 . 2]" 1
1193 1 71 ALA MB 1 74 LEU QD . . 4.960 4.519 4.070 4.709 . 0 0 "[ . 1 . 2]" 1
1194 1 71 ALA MB 1 75 PRO QB . . 4.870 3.618 3.260 3.996 . 0 0 "[ . 1 . 2]" 1
1195 1 71 ALA MB 1 76 ASP H . . 5.500 5.517 5.359 5.561 0.061 7 0 "[ . 1 . 2]" 1
1196 1 71 ALA MB 1 78 LEU MD1 . . 4.310 4.122 3.718 4.235 . 0 0 "[ . 1 . 2]" 1
1197 1 71 ALA MB 1 78 LEU QD . . 3.170 2.068 1.939 2.479 . 0 0 "[ . 1 . 2]" 1
1198 1 71 ALA MB 1 78 LEU MD2 . . 4.310 2.075 1.942 2.499 . 0 0 "[ . 1 . 2]" 1
1199 1 71 ALA MB 1 78 LEU HG . . 4.190 3.763 2.208 4.191 0.001 1 0 "[ . 1 . 2]" 1
1200 1 71 ALA MB 1 79 SER H . . 4.180 4.137 3.947 4.229 0.049 9 0 "[ . 1 . 2]" 1
1201 1 71 ALA MB 1 79 SER HA . . 4.480 2.725 2.575 2.877 . 0 0 "[ . 1 . 2]" 1
1202 1 71 ALA MB 1 80 LEU HB2 . . 4.810 3.580 2.952 4.193 . 0 0 "[ . 1 . 2]" 1
1203 1 71 ALA MB 1 80 LEU QB . . 4.160 3.455 2.905 3.958 . 0 0 "[ . 1 . 2]" 1
1204 1 71 ALA MB 1 80 LEU HB3 . . 4.810 4.659 4.323 4.883 0.073 11 0 "[ . 1 . 2]" 1
1205 1 71 ALA MB 1 80 LEU QD . . 2.960 2.198 1.701 2.856 . 0 0 "[ . 1 . 2]" 1
1206 1 71 ALA MB 1 80 LEU HG . . 3.430 3.087 2.268 3.570 0.140 20 0 "[ . 1 . 2]" 1
1207 1 71 ALA MB 1 89 VAL QG . . 3.910 3.975 3.923 4.008 0.098 15 0 "[ . 1 . 2]" 1
1208 1 72 GLU H 1 73 LEU H . . 3.180 2.716 2.563 2.819 . 0 0 "[ . 1 . 2]" 1
1209 1 72 GLU H 1 73 LEU QD . . 4.340 4.168 3.913 4.416 0.076 14 0 "[ . 1 . 2]" 1
1210 1 72 GLU H 1 74 LEU H . . 4.240 4.177 4.056 4.251 0.011 6 0 "[ . 1 . 2]" 1
1211 1 72 GLU H 1 74 LEU QD . . 5.440 5.005 4.864 5.139 . 0 0 "[ . 1 . 2]" 1
1212 1 72 GLU H 1 78 LEU QD . . 4.440 4.468 4.414 4.504 0.064 3 0 "[ . 1 . 2]" 1
1213 1 72 GLU HA 1 73 LEU QD . . 4.440 4.435 4.213 4.512 0.072 3 0 "[ . 1 . 2]" 1
1214 1 72 GLU QB 1 73 LEU QD . . 4.230 2.727 2.467 3.051 . 0 0 "[ . 1 . 2]" 1
1215 1 72 GLU QB 1 74 LEU H . . 5.080 4.903 4.828 4.990 . 0 0 "[ . 1 . 2]" 1
1216 1 73 LEU H 1 73 LEU HB2 . . 3.540 2.331 2.165 2.609 . 0 0 "[ . 1 . 2]" 1
1217 1 73 LEU H 1 73 LEU MD1 . . 3.710 3.189 2.571 3.829 0.119 12 0 "[ . 1 . 2]" 1
1218 1 73 LEU H 1 73 LEU QD . . 3.210 2.720 2.412 3.127 . 0 0 "[ . 1 . 2]" 1
1219 1 73 LEU H 1 73 LEU MD2 . . 3.710 3.347 2.441 3.753 0.043 19 0 "[ . 1 . 2]" 1
1220 1 73 LEU H 1 74 LEU H . . 3.360 2.347 2.207 2.500 . 0 0 "[ . 1 . 2]" 1
1221 1 73 LEU H 1 74 LEU HA . . 5.220 4.931 4.798 5.117 . 0 0 "[ . 1 . 2]" 1
1222 1 73 LEU H 1 74 LEU QD . . 3.580 3.641 3.593 3.672 0.092 18 0 "[ . 1 . 2]" 1
1223 1 73 LEU HA 1 73 LEU MD1 . . 4.390 2.677 1.995 3.843 . 0 0 "[ . 1 . 2]" 1
1224 1 73 LEU HA 1 73 LEU QD . . 3.210 2.179 1.962 2.313 . 0 0 "[ . 1 . 2]" 1
1225 1 73 LEU HA 1 73 LEU MD2 . . 4.390 3.198 2.171 3.838 . 0 0 "[ . 1 . 2]" 1
1226 1 73 LEU HB2 1 74 LEU H . . 3.720 2.867 2.685 3.044 . 0 0 "[ . 1 . 2]" 1
1227 1 73 LEU HB2 1 74 LEU QD . . 3.310 2.745 2.286 2.997 . 0 0 "[ . 1 . 2]" 1
1228 1 73 LEU HB2 1 104 LEU QD . . 3.730 3.585 2.753 3.797 0.067 1 0 "[ . 1 . 2]" 1
1229 1 73 LEU HB3 1 73 LEU MD1 . . 3.500 2.845 2.240 3.273 . 0 0 "[ . 1 . 2]" 1
1230 1 73 LEU HB3 1 73 LEU QD . . 2.970 2.301 2.107 2.424 . 0 0 "[ . 1 . 2]" 1
1231 1 73 LEU HB3 1 73 LEU MD2 . . 3.500 2.586 2.382 3.220 . 0 0 "[ . 1 . 2]" 1
1232 1 73 LEU HB3 1 74 LEU H . . 3.900 3.572 3.357 3.902 0.002 3 0 "[ . 1 . 2]" 1
1233 1 73 LEU QD 1 74 LEU H . . 4.130 4.035 3.940 4.136 0.006 3 0 "[ . 1 . 2]" 1
1234 1 73 LEU QD 1 74 LEU QD . . 3.980 3.584 3.414 3.868 . 0 0 "[ . 1 . 2]" 1
1235 1 73 LEU QD 1 104 LEU QD . . 2.990 2.354 1.950 3.007 0.017 9 0 "[ . 1 . 2]" 1
1236 1 73 LEU QD 1 108 VAL H . . 4.730 4.538 4.147 4.810 0.080 19 0 "[ . 1 . 2]" 1
1237 1 73 LEU MD1 1 74 LEU H . . 4.830 4.509 4.312 4.731 . 0 0 "[ . 1 . 2]" 1
1238 1 73 LEU MD2 1 74 LEU H . . 4.830 4.580 4.236 4.787 . 0 0 "[ . 1 . 2]" 1
1239 1 74 LEU H 1 74 LEU HB2 . . 4.080 4.060 4.022 4.079 . 0 0 "[ . 1 . 2]" 1
1240 1 74 LEU H 1 74 LEU HB3 . . 4.060 3.395 3.267 3.469 . 0 0 "[ . 1 . 2]" 1
1241 1 74 LEU H 1 74 LEU QD . . 3.270 2.272 2.222 2.321 . 0 0 "[ . 1 . 2]" 1
1242 1 74 LEU H 1 74 LEU HG . . 4.500 4.024 3.902 4.413 . 0 0 "[ . 1 . 2]" 1
1243 1 74 LEU H 1 75 PRO HD2 . . 4.430 4.460 4.412 4.498 0.068 18 0 "[ . 1 . 2]" 1
1244 1 74 LEU HA 1 74 LEU MD1 . . 4.260 4.004 3.619 4.083 . 0 0 "[ . 1 . 2]" 1
1245 1 74 LEU HA 1 74 LEU QD . . 3.400 3.369 3.286 3.397 . 0 0 "[ . 1 . 2]" 1
1246 1 74 LEU HA 1 74 LEU MD2 . . 4.260 3.641 3.594 3.845 . 0 0 "[ . 1 . 2]" 1
1247 1 74 LEU HB2 1 77 TRP H . . 4.170 3.716 3.429 4.186 0.016 19 0 "[ . 1 . 2]" 1
1248 1 74 LEU HB3 1 76 ASP H . . 5.200 4.456 4.314 4.646 . 0 0 "[ . 1 . 2]" 1
1249 1 74 LEU HB3 1 104 LEU QB . . 4.750 4.772 4.549 4.840 0.090 20 0 "[ . 1 . 2]" 1
1250 1 74 LEU QD 1 76 ASP H . . 3.620 3.508 2.526 3.694 0.074 8 0 "[ . 1 . 2]" 1
1251 1 74 LEU QD 1 77 TRP H . . 3.790 2.927 1.706 3.468 . 0 0 "[ . 1 . 2]" 1
1252 1 74 LEU QD 1 77 TRP QB . . 4.930 2.218 1.889 2.761 . 0 0 "[ . 1 . 2]" 1
1253 1 74 LEU QD 1 78 LEU H . . 3.700 3.176 2.281 3.693 . 0 0 "[ . 1 . 2]" 1
1254 1 74 LEU QD 1 104 LEU QB . . 3.390 2.834 2.591 3.120 . 0 0 "[ . 1 . 2]" 1
1255 1 74 LEU MD1 1 76 ASP H . . 4.140 4.105 4.028 4.207 0.067 20 0 "[ . 1 . 2]" 1
1256 1 74 LEU MD1 1 104 LEU QB . . 4.900 3.372 2.800 3.773 . 0 0 "[ . 1 . 2]" 1
1257 1 74 LEU MD2 1 76 ASP H . . 4.140 3.927 2.548 4.205 0.065 3 0 "[ . 1 . 2]" 1
1258 1 74 LEU MD2 1 104 LEU QB . . 4.900 3.245 2.785 4.612 . 0 0 "[ . 1 . 2]" 1
1259 1 74 LEU HG 1 76 ASP H . . 5.420 3.278 2.975 4.844 . 0 0 "[ . 1 . 2]" 1
1260 1 74 LEU HG 1 77 TRP H . . 4.220 2.547 2.082 4.329 0.109 20 0 "[ . 1 . 2]" 1
1261 1 74 LEU HG 1 78 LEU H . . 5.030 3.486 2.897 5.253 0.223 16 0 "[ . 1 . 2]" 1
1262 1 75 PRO QB 1 76 ASP H . . 4.000 3.937 3.862 4.007 0.007 11 0 "[ . 1 . 2]" 1
1263 1 75 PRO HD2 1 76 ASP H . . 3.570 3.307 3.103 3.532 . 0 0 "[ . 1 . 2]" 1
1264 1 75 PRO QG 1 76 ASP H . . 3.670 3.567 3.357 3.719 0.049 11 0 "[ . 1 . 2]" 1
1265 1 76 ASP H 1 76 ASP QB . . 3.150 2.339 2.139 2.537 . 0 0 "[ . 1 . 2]" 1
1266 1 76 ASP H 1 77 TRP H . . 3.180 2.334 2.096 2.690 . 0 0 "[ . 1 . 2]" 1
1267 1 76 ASP H 1 77 TRP QB . . 4.820 4.237 4.049 4.550 . 0 0 "[ . 1 . 2]" 1
1268 1 76 ASP H 1 78 LEU H . . 4.320 3.828 3.447 4.237 . 0 0 "[ . 1 . 2]" 1
1269 1 76 ASP HA 1 77 TRP HA . . 4.780 4.690 4.554 4.750 . 0 0 "[ . 1 . 2]" 1
1270 1 76 ASP HA 1 78 LEU H . . 5.500 5.132 4.867 5.403 . 0 0 "[ . 1 . 2]" 1
1271 1 76 ASP QB 1 77 TRP H . . 3.920 2.705 2.276 3.202 . 0 0 "[ . 1 . 2]" 1
1272 1 76 ASP QB 1 78 LEU H . . 5.090 4.835 4.630 5.097 0.007 2 0 "[ . 1 . 2]" 1
1273 1 77 TRP H 1 77 TRP HB2 . . 3.620 2.833 2.690 3.169 . 0 0 "[ . 1 . 2]" 1
1274 1 77 TRP H 1 77 TRP QB . . 3.170 2.342 2.258 2.530 . 0 0 "[ . 1 . 2]" 1
1275 1 77 TRP H 1 77 TRP HB3 . . 3.620 2.500 2.423 2.660 . 0 0 "[ . 1 . 2]" 1
1276 1 77 TRP H 1 78 LEU H . . 3.240 2.396 2.143 2.652 . 0 0 "[ . 1 . 2]" 1
1277 1 77 TRP H 1 100 LEU QD . . 5.070 4.742 4.201 5.117 0.047 14 0 "[ . 1 . 2]" 1
1278 1 77 TRP QB 1 77 TRP HE1 . . 4.570 4.539 4.489 4.560 . 0 0 "[ . 1 . 2]" 1
1279 1 77 TRP QB 1 78 LEU H . . 3.290 2.422 2.266 2.499 . 0 0 "[ . 1 . 2]" 1
1280 1 77 TRP QB 1 92 ASP H . . 5.340 4.902 4.760 5.130 . 0 0 "[ . 1 . 2]" 1
1281 1 77 TRP QB 1 100 LEU QD . . 4.290 2.529 2.202 2.776 . 0 0 "[ . 1 . 2]" 1
1282 1 77 TRP HB2 1 78 LEU H . . 3.780 3.824 3.757 3.859 0.079 14 0 "[ . 1 . 2]" 1
1283 1 77 TRP HB3 1 78 LEU H . . 3.780 2.449 2.285 2.531 . 0 0 "[ . 1 . 2]" 1
1284 1 77 TRP HE1 1 91 LEU MD1 . . 3.400 3.182 3.030 3.391 . 0 0 "[ . 1 . 2]" 1
1285 1 77 TRP HE1 1 92 ASP H . . 4.320 2.910 2.486 3.260 . 0 0 "[ . 1 . 2]" 1
1286 1 77 TRP HE1 1 92 ASP HB2 . . 4.350 2.655 2.470 2.926 . 0 0 "[ . 1 . 2]" 1
1287 1 77 TRP HE1 1 92 ASP HB3 . . 4.350 3.709 3.537 3.803 . 0 0 "[ . 1 . 2]" 1
1288 1 77 TRP HE1 1 93 LYS HA . . 4.340 4.191 3.936 4.370 0.030 14 0 "[ . 1 . 2]" 1
1289 1 77 TRP HE1 1 94 ALA H . . 4.810 4.798 4.681 4.844 0.034 4 0 "[ . 1 . 2]" 1
1290 1 77 TRP HE1 1 95 VAL H . . 3.620 3.612 3.499 3.673 0.053 4 0 "[ . 1 . 2]" 1
1291 1 77 TRP HE1 1 95 VAL HA . . 5.210 5.222 5.127 5.261 0.051 13 0 "[ . 1 . 2]" 1
1292 1 77 TRP HE1 1 95 VAL HB . . 3.560 2.741 2.606 2.828 . 0 0 "[ . 1 . 2]" 1
1293 1 77 TRP HE1 1 95 VAL MG1 . . 3.620 2.191 2.083 2.281 . 0 0 "[ . 1 . 2]" 1
1294 1 77 TRP HE1 1 95 VAL MG2 . . 3.600 3.594 3.398 3.679 0.079 11 0 "[ . 1 . 2]" 1
1295 1 77 TRP HE1 1 100 LEU MD1 . . 4.350 3.662 3.131 4.004 . 0 0 "[ . 1 . 2]" 1
1296 1 77 TRP HE1 1 100 LEU QD . . 3.720 3.380 2.946 3.696 . 0 0 "[ . 1 . 2]" 1
1297 1 77 TRP HE1 1 100 LEU MD2 . . 4.350 3.979 3.482 4.339 . 0 0 "[ . 1 . 2]" 1
1298 1 78 LEU H 1 78 LEU HB2 . . 3.950 2.961 2.791 3.102 . 0 0 "[ . 1 . 2]" 1
1299 1 78 LEU H 1 78 LEU QB . . 3.310 2.502 2.435 2.570 . 0 0 "[ . 1 . 2]" 1
1300 1 78 LEU H 1 78 LEU HB3 . . 3.950 2.701 2.624 2.768 . 0 0 "[ . 1 . 2]" 1
1301 1 78 LEU H 1 78 LEU QD . . 4.400 3.937 3.884 3.991 . 0 0 "[ . 1 . 2]" 1
1302 1 78 LEU H 1 78 LEU HG . . 4.880 4.621 4.497 4.702 . 0 0 "[ . 1 . 2]" 1
1303 1 78 LEU H 1 79 SER H . . 4.760 4.403 4.305 4.495 . 0 0 "[ . 1 . 2]" 1
1304 1 78 LEU H 1 100 LEU QD . . 5.080 5.012 4.587 5.126 0.046 2 0 "[ . 1 . 2]" 1
1305 1 78 LEU HA 1 79 SER H . . 2.860 2.129 2.080 2.196 . 0 0 "[ . 1 . 2]" 1
1306 1 78 LEU HA 1 89 VAL QG . . 4.680 4.011 3.712 4.382 . 0 0 "[ . 1 . 2]" 1
1307 1 78 LEU QB 1 79 SER H . . 3.850 3.721 3.672 3.803 . 0 0 "[ . 1 . 2]" 1
1308 1 78 LEU HB2 1 79 SER H . . 4.640 4.235 4.144 4.356 . 0 0 "[ . 1 . 2]" 1
1309 1 78 LEU HB3 1 79 SER H . . 4.640 4.126 4.013 4.192 . 0 0 "[ . 1 . 2]" 1
1310 1 78 LEU QD 1 79 SER H . . 3.290 2.874 2.415 2.981 . 0 0 "[ . 1 . 2]" 1
1311 1 78 LEU QD 1 80 LEU H . . 4.480 3.564 3.125 4.356 . 0 0 "[ . 1 . 2]" 1
1312 1 78 LEU QD 1 80 LEU QD . . 3.130 1.998 1.867 2.504 . 0 0 "[ . 1 . 2]" 1
1313 1 78 LEU QD 1 81 HIS H . . 5.440 5.507 5.451 5.605 0.165 2 0 "[ . 1 . 2]" 1
1314 1 78 LEU QD 1 89 VAL QG . . 3.120 1.924 1.793 2.060 . 0 0 "[ . 1 . 2]" 1
1315 1 78 LEU QD 1 90 LYS H . . 4.020 3.817 2.981 4.059 0.039 9 0 "[ . 1 . 2]" 1
1316 1 78 LEU QD 1 91 LEU QB . . 3.700 2.405 2.093 3.034 . 0 0 "[ . 1 . 2]" 1
1317 1 78 LEU QD 1 91 LEU MD1 . . 4.000 3.750 3.401 4.027 0.027 20 0 "[ . 1 . 2]" 1
1318 1 78 LEU MD1 1 91 LEU HB2 . . 5.850 2.853 2.114 3.409 . 0 0 "[ . 1 . 2]" 1
1319 1 78 LEU MD1 1 91 LEU HB3 . . 5.850 3.085 2.254 4.379 . 0 0 "[ . 1 . 2]" 1
1320 1 78 LEU MD2 1 91 LEU HB2 . . 5.850 4.966 4.411 5.641 . 0 0 "[ . 1 . 2]" 1
1321 1 78 LEU MD2 1 91 LEU HB3 . . 5.850 5.106 4.288 5.920 0.070 9 0 "[ . 1 . 2]" 1
1322 1 78 LEU HG 1 79 SER H . . 3.710 2.673 2.490 2.910 . 0 0 "[ . 1 . 2]" 1
1323 1 78 LEU HG 1 80 LEU QD . . 3.520 3.386 2.520 3.674 0.154 9 0 "[ . 1 . 2]" 1
1324 1 79 SER H 1 79 SER HB3 . . 3.910 3.840 3.764 3.889 . 0 0 "[ . 1 . 2]" 1
1325 1 79 SER H 1 80 LEU H . . 4.290 4.270 4.214 4.314 0.024 7 0 "[ . 1 . 2]" 1
1326 1 79 SER H 1 80 LEU QD . . 4.310 4.136 3.955 4.313 0.003 6 0 "[ . 1 . 2]" 1
1327 1 79 SER H 1 89 VAL QG . . 4.200 3.311 3.052 3.698 . 0 0 "[ . 1 . 2]" 1
1328 1 79 SER H 1 90 LYS H . . 3.560 3.114 2.999 3.363 . 0 0 "[ . 1 . 2]" 1
1329 1 79 SER H 1 90 LYS HB2 . . 5.340 4.939 4.719 5.203 . 0 0 "[ . 1 . 2]" 1
1330 1 79 SER H 1 90 LYS HB3 . . 4.250 3.537 3.338 3.747 . 0 0 "[ . 1 . 2]" 1
1331 1 79 SER H 1 91 LEU H . . 5.380 5.147 5.028 5.328 . 0 0 "[ . 1 . 2]" 1
1332 1 79 SER H 1 91 LEU QB . . 4.770 4.427 4.214 4.783 0.013 20 0 "[ . 1 . 2]" 1
1333 1 79 SER HA 1 80 LEU H . . 2.810 2.137 2.101 2.188 . 0 0 "[ . 1 . 2]" 1
1334 1 79 SER HA 1 80 LEU QD . . 4.050 3.701 3.173 4.062 0.012 7 0 "[ . 1 . 2]" 1
1335 1 79 SER HB2 1 80 LEU H . . 4.400 4.287 4.174 4.401 0.001 6 0 "[ . 1 . 2]" 1
1336 1 79 SER HB2 1 90 LYS H . . 5.010 3.734 3.464 4.157 . 0 0 "[ . 1 . 2]" 1
1337 1 79 SER HB3 1 80 LEU H . . 3.590 3.429 3.301 3.537 . 0 0 "[ . 1 . 2]" 1
1338 1 80 LEU H 1 80 LEU HB2 . . 3.800 2.382 2.126 2.790 . 0 0 "[ . 1 . 2]" 1
1339 1 80 LEU H 1 80 LEU QB . . 3.330 2.343 2.105 2.710 . 0 0 "[ . 1 . 2]" 1
1340 1 80 LEU H 1 80 LEU HB3 . . 3.800 3.542 3.410 3.680 . 0 0 "[ . 1 . 2]" 1
1341 1 80 LEU H 1 80 LEU QD . . 3.230 2.614 1.964 2.977 . 0 0 "[ . 1 . 2]" 1
1342 1 80 LEU H 1 80 LEU HG . . 3.950 3.361 1.930 4.028 0.078 16 0 "[ . 1 . 2]" 1
1343 1 80 LEU H 1 81 HIS H . . 4.660 4.466 4.369 4.595 . 0 0 "[ . 1 . 2]" 1
1344 1 80 LEU H 1 90 LYS H . . 5.350 5.101 4.953 5.238 . 0 0 "[ . 1 . 2]" 1
1345 1 80 LEU HA 1 80 LEU QD . . 3.190 2.178 1.995 2.424 . 0 0 "[ . 1 . 2]" 1
1346 1 80 LEU HA 1 81 HIS H . . 3.070 2.153 2.110 2.213 . 0 0 "[ . 1 . 2]" 1
1347 1 80 LEU HA 1 87 THR MG . . 4.800 3.977 3.619 4.359 . 0 0 "[ . 1 . 2]" 1
1348 1 80 LEU HA 1 89 VAL HA . . 4.380 2.694 2.376 2.924 . 0 0 "[ . 1 . 2]" 1
1349 1 80 LEU HA 1 89 VAL QG . . 4.430 2.590 2.131 3.028 . 0 0 "[ . 1 . 2]" 1
1350 1 80 LEU HA 1 90 LYS H . . 4.170 3.853 3.550 4.072 . 0 0 "[ . 1 . 2]" 1
1351 1 80 LEU QB 1 81 HIS H . . 3.820 3.367 2.963 3.616 . 0 0 "[ . 1 . 2]" 1
1352 1 80 LEU QB 1 87 THR MG . . 4.580 3.320 2.749 3.832 . 0 0 "[ . 1 . 2]" 1
1353 1 80 LEU QD 1 81 HIS H . . 4.090 3.567 3.039 4.091 0.001 6 0 "[ . 1 . 2]" 1
1354 1 80 LEU QD 1 89 VAL HA . . 4.310 3.330 2.999 3.829 . 0 0 "[ . 1 . 2]" 1
1355 1 80 LEU QD 1 89 VAL HB . . 4.600 3.477 2.114 4.311 . 0 0 "[ . 1 . 2]" 1
1356 1 80 LEU QD 1 89 VAL QG . . 2.760 1.894 1.771 2.229 . 0 0 "[ . 1 . 2]" 1
1357 1 80 LEU QD 1 90 LYS H . . 4.650 4.076 3.854 4.329 . 0 0 "[ . 1 . 2]" 1
1358 1 80 LEU HG 1 89 VAL QG . . 4.380 4.080 3.833 4.422 0.042 1 0 "[ . 1 . 2]" 1
1359 1 81 HIS H 1 81 HIS HB2 . . 3.880 2.662 2.353 3.155 . 0 0 "[ . 1 . 2]" 1
1360 1 81 HIS H 1 81 HIS QB . . 3.330 2.488 2.305 2.663 . 0 0 "[ . 1 . 2]" 1
1361 1 81 HIS H 1 81 HIS HB3 . . 3.880 3.327 2.540 3.832 . 0 0 "[ . 1 . 2]" 1
1362 1 81 HIS H 1 82 ARG H . . 4.720 4.454 4.146 4.585 . 0 0 "[ . 1 . 2]" 1
1363 1 81 HIS H 1 82 ARG HA . . 5.040 5.002 4.786 5.105 0.065 8 0 "[ . 1 . 2]" 1
1364 1 81 HIS H 1 82 ARG QB . . 5.340 5.259 5.085 5.397 0.057 15 0 "[ . 1 . 2]" 1
1365 1 81 HIS H 1 87 THR MG . . 3.970 3.446 3.055 3.813 . 0 0 "[ . 1 . 2]" 1
1366 1 81 HIS H 1 88 TYR H . . 4.590 3.923 3.639 4.329 . 0 0 "[ . 1 . 2]" 1
1367 1 81 HIS H 1 89 VAL H . . 5.320 4.839 4.700 4.950 . 0 0 "[ . 1 . 2]" 1
1368 1 81 HIS H 1 89 VAL HA . . 3.790 2.875 2.620 3.156 . 0 0 "[ . 1 . 2]" 1
1369 1 81 HIS H 1 90 LYS H . . 4.360 4.268 3.999 4.418 0.058 18 0 "[ . 1 . 2]" 1
1370 1 81 HIS H 1 90 LYS HB2 . . 5.500 5.530 5.314 5.655 0.155 5 0 "[ . 1 . 2]" 1
1371 1 81 HIS QB 1 88 TYR H . . 4.470 3.710 3.534 3.938 . 0 0 "[ . 1 . 2]" 1
1372 1 81 HIS HB2 1 82 ARG H . . 4.280 4.131 3.800 4.369 0.089 6 0 "[ . 1 . 2]" 1
1373 1 81 HIS HB3 1 82 ARG H . . 4.280 3.303 2.665 4.356 0.076 1 0 "[ . 1 . 2]" 1
1374 1 82 ARG H 1 82 ARG HB2 . . 3.780 2.819 2.456 3.158 . 0 0 "[ . 1 . 2]" 1
1375 1 82 ARG H 1 82 ARG HB3 . . 3.780 2.695 2.481 3.078 . 0 0 "[ . 1 . 2]" 1
1376 1 82 ARG H 1 82 ARG QG . . 4.590 4.128 4.020 4.276 . 0 0 "[ . 1 . 2]" 1
1377 1 82 ARG H 1 83 ILE H . . 4.450 4.405 4.297 4.535 0.085 6 0 "[ . 1 . 2]" 1
1378 1 82 ARG H 1 87 THR MG . . 4.720 4.300 3.713 4.677 . 0 0 "[ . 1 . 2]" 1
1379 1 82 ARG HA 1 82 ARG QD . . 4.180 2.698 2.127 3.279 . 0 0 "[ . 1 . 2]" 1
1380 1 82 ARG HA 1 82 ARG HG2 . . 4.190 3.313 2.167 3.838 . 0 0 "[ . 1 . 2]" 1
1381 1 82 ARG HA 1 82 ARG HG3 . . 4.190 2.971 2.601 3.637 . 0 0 "[ . 1 . 2]" 1
1382 1 82 ARG HA 1 83 ILE H . . 2.950 2.147 2.080 2.200 . 0 0 "[ . 1 . 2]" 1
1383 1 82 ARG HA 1 83 ILE MG . . 4.520 4.351 4.269 4.445 . 0 0 "[ . 1 . 2]" 1
1384 1 82 ARG HA 1 87 THR HA . . 4.110 2.180 2.092 2.298 . 0 0 "[ . 1 . 2]" 1
1385 1 82 ARG HA 1 87 THR MG . . 4.330 2.819 2.438 3.025 . 0 0 "[ . 1 . 2]" 1
1386 1 82 ARG HA 1 88 TYR H . . 3.930 3.061 2.818 3.244 . 0 0 "[ . 1 . 2]" 1
1387 1 82 ARG QB 1 87 THR MG . . 3.130 3.096 2.702 3.165 0.035 7 0 "[ . 1 . 2]" 1
1388 1 82 ARG QD 1 83 ILE H . . 4.010 3.254 2.750 3.818 . 0 0 "[ . 1 . 2]" 1
1389 1 82 ARG QD 1 86 ASP H . . 5.320 4.606 4.001 5.236 . 0 0 "[ . 1 . 2]" 1
1390 1 82 ARG QD 1 87 THR MG . . 4.330 3.137 2.423 4.359 0.029 9 0 "[ . 1 . 2]" 1
1391 1 82 ARG QG 1 87 THR MG . . 4.570 3.735 2.405 4.323 . 0 0 "[ . 1 . 2]" 1
1392 1 82 ARG QG 1 88 TYR H . . 5.340 5.105 4.176 5.449 0.109 15 0 "[ . 1 . 2]" 1
1393 1 82 ARG HG2 1 87 THR MG . . 5.200 4.267 2.473 5.165 . 0 0 "[ . 1 . 2]" 1
1394 1 82 ARG HG3 1 87 THR MG . . 5.200 4.238 3.214 4.840 . 0 0 "[ . 1 . 2]" 1
1395 1 83 ILE H 1 83 ILE HB . . 3.250 2.458 2.376 2.541 . 0 0 "[ . 1 . 2]" 1
1396 1 83 ILE H 1 83 ILE MD . . 4.090 4.012 3.887 4.183 0.093 4 0 "[ . 1 . 2]" 1
1397 1 83 ILE H 1 83 ILE QG . . 4.740 4.169 4.103 4.211 . 0 0 "[ . 1 . 2]" 1
1398 1 83 ILE H 1 83 ILE MG . . 3.500 2.525 2.442 2.628 . 0 0 "[ . 1 . 2]" 1
1399 1 83 ILE H 1 86 ASP H . . 4.530 4.002 3.526 4.144 . 0 0 "[ . 1 . 2]" 1
1400 1 83 ILE H 1 86 ASP HB3 . . 5.000 4.861 4.436 5.079 0.079 20 0 "[ . 1 . 2]" 1
1401 1 83 ILE H 1 87 THR H . . 4.760 4.620 4.573 4.681 . 0 0 "[ . 1 . 2]" 1
1402 1 83 ILE H 1 87 THR MG . . 4.460 4.383 4.119 4.511 0.051 20 0 "[ . 1 . 2]" 1
1403 1 83 ILE H 1 88 TYR H . . 4.270 3.562 3.430 3.670 . 0 0 "[ . 1 . 2]" 1
1404 1 83 ILE HA 1 83 ILE MD . . 4.330 2.465 2.140 3.168 . 0 0 "[ . 1 . 2]" 1
1405 1 83 ILE HA 1 83 ILE QG . . 3.730 2.376 2.133 2.557 . 0 0 "[ . 1 . 2]" 1
1406 1 83 ILE HA 1 83 ILE MG . . 3.280 3.246 3.224 3.274 . 0 0 "[ . 1 . 2]" 1
1407 1 83 ILE HA 1 88 TYR H . . 5.500 5.619 5.560 5.682 0.182 18 0 "[ . 1 . 2]" 1
1408 1 83 ILE HB 1 87 THR H . . 5.390 5.474 5.433 5.534 0.144 4 0 "[ . 1 . 2]" 1
1409 1 83 ILE HB 1 88 TYR H . . 4.510 4.031 3.786 4.228 . 0 0 "[ . 1 . 2]" 1
1410 1 83 ILE MD 1 83 ILE MG . . 3.210 3.024 2.488 3.219 0.009 7 0 "[ . 1 . 2]" 1
1411 1 83 ILE MD 1 88 TYR H . . 4.990 4.822 4.548 5.029 0.039 16 0 "[ . 1 . 2]" 1
1412 1 83 ILE QG 1 83 ILE MG . . 2.770 2.111 2.093 2.138 . 0 0 "[ . 1 . 2]" 1
1413 1 83 ILE QG 1 84 ARG HB2 . . 3.940 3.738 3.476 3.946 0.006 20 0 "[ . 1 . 2]" 1
1414 1 83 ILE QG 1 84 ARG QG . . 3.450 2.723 2.512 2.975 . 0 0 "[ . 1 . 2]" 1
1415 1 83 ILE QG 1 88 TYR QD . . 4.930 4.211 4.043 4.361 . 0 0 "[ . 1 . 2]" 1
1416 1 83 ILE HG12 1 83 ILE MG . . 3.240 2.199 2.170 2.239 . 0 0 "[ . 1 . 2]" 1
1417 1 83 ILE HG12 1 84 ARG HB2 . . 4.530 4.342 3.600 4.621 0.091 6 0 "[ . 1 . 2]" 1
1418 1 83 ILE HG12 1 84 ARG QG . . 4.140 3.590 2.746 4.020 . 0 0 "[ . 1 . 2]" 1
1419 1 83 ILE HG13 1 83 ILE MG . . 3.240 2.757 2.563 3.100 . 0 0 "[ . 1 . 2]" 1
1420 1 83 ILE HG13 1 84 ARG HB2 . . 4.530 4.185 3.846 4.584 0.054 18 0 "[ . 1 . 2]" 1
1421 1 83 ILE HG13 1 84 ARG QG . . 4.140 2.877 2.550 3.208 . 0 0 "[ . 1 . 2]" 1
1422 1 83 ILE MG 1 84 ARG H . . 4.440 2.137 2.057 2.267 . 0 0 "[ . 1 . 2]" 1
1423 1 83 ILE MG 1 84 ARG HB2 . . 4.230 2.730 2.568 2.807 . 0 0 "[ . 1 . 2]" 1
1424 1 83 ILE MG 1 84 ARG HB3 . . 4.220 4.204 4.091 4.255 0.035 9 0 "[ . 1 . 2]" 1
1425 1 83 ILE MG 1 84 ARG QG . . 3.490 3.370 3.173 3.506 0.016 16 0 "[ . 1 . 2]" 1
1426 1 83 ILE MG 1 85 THR H . . 5.010 2.168 2.091 2.236 . 0 0 "[ . 1 . 2]" 1
1427 1 83 ILE MG 1 85 THR MG . . 4.900 4.250 3.343 4.625 . 0 0 "[ . 1 . 2]" 1
1428 1 83 ILE MG 1 86 ASP H . . 4.040 1.899 1.737 2.022 . 0 0 "[ . 1 . 2]" 1
1429 1 83 ILE MG 1 87 THR HA . . 4.450 4.159 4.001 4.368 . 0 0 "[ . 1 . 2]" 1
1430 1 83 ILE MG 1 88 TYR H . . 5.500 4.587 4.402 4.757 . 0 0 "[ . 1 . 2]" 1
1431 1 83 ILE MG 1 88 TYR QD . . 4.120 3.249 2.859 3.927 . 0 0 "[ . 1 . 2]" 1
1432 1 84 ARG H 1 84 ARG QG . . 4.470 2.064 1.938 2.168 . 0 0 "[ . 1 . 2]" 1
1433 1 84 ARG HA 1 84 ARG QD . . 4.090 3.118 2.107 4.113 0.023 9 0 "[ . 1 . 2]" 1
1434 1 84 ARG HA 1 84 ARG QG . . 3.630 2.680 2.296 3.078 . 0 0 "[ . 1 . 2]" 1
1435 1 84 ARG HA 1 86 ASP H . . 5.300 5.266 5.017 5.345 0.045 12 0 "[ . 1 . 2]" 1
1436 1 84 ARG HB2 1 85 THR H . . 3.840 2.498 2.330 2.677 . 0 0 "[ . 1 . 2]" 1
1437 1 84 ARG HB2 1 86 ASP H . . 3.960 4.018 3.973 4.068 0.108 7 0 "[ . 1 . 2]" 1
1438 1 84 ARG HB3 1 84 ARG QD . . 3.710 2.398 2.216 2.688 . 0 0 "[ . 1 . 2]" 1
1439 1 84 ARG HB3 1 85 THR H . . 3.800 3.485 3.371 3.675 . 0 0 "[ . 1 . 2]" 1
1440 1 84 ARG QG 1 85 THR H . . 4.120 4.082 3.986 4.145 0.025 12 0 "[ . 1 . 2]" 1
1441 1 84 ARG QG 1 85 THR MG . . 5.500 4.737 4.564 4.912 . 0 0 "[ . 1 . 2]" 1
1442 1 84 ARG QG 1 86 ASP H . . 5.380 5.394 5.273 5.476 0.096 1 0 "[ . 1 . 2]" 1
1443 1 85 THR H 1 85 THR HB . . 3.960 3.759 3.301 3.942 . 0 0 "[ . 1 . 2]" 1
1444 1 85 THR H 1 85 THR MG . . 3.890 3.076 2.494 3.323 . 0 0 "[ . 1 . 2]" 1
1445 1 85 THR H 1 86 ASP H . . 3.670 1.824 1.784 1.890 . 0 0 "[ . 1 . 2]" 1
1446 1 85 THR HA 1 85 THR MG . . 2.970 2.569 2.300 3.204 0.234 18 0 "[ . 1 . 2]" 1
1447 1 85 THR HA 1 86 ASP H . . 3.480 3.476 3.343 3.504 0.024 9 0 "[ . 1 . 2]" 1
1448 1 85 THR HB 1 86 ASP H . . 4.130 3.953 3.842 4.162 0.032 12 0 "[ . 1 . 2]" 1
1449 1 85 THR MG 1 86 ASP H . . 4.310 3.783 2.485 4.328 0.018 7 0 "[ . 1 . 2]" 1
1450 1 86 ASP H 1 86 ASP HB2 . . 3.070 2.337 2.131 2.540 . 0 0 "[ . 1 . 2]" 1
1451 1 86 ASP H 1 86 ASP HB3 . . 3.630 3.569 3.329 3.702 0.072 7 0 "[ . 1 . 2]" 1
1452 1 86 ASP H 1 87 THR H . . 4.720 4.540 4.474 4.582 . 0 0 "[ . 1 . 2]" 1
1453 1 86 ASP HA 1 87 THR H . . 2.820 2.505 2.468 2.554 . 0 0 "[ . 1 . 2]" 1
1454 1 86 ASP HB2 1 87 THR H . . 3.980 3.561 3.386 3.753 . 0 0 "[ . 1 . 2]" 1
1455 1 86 ASP HB3 1 87 THR H . . 3.360 2.188 2.080 2.314 . 0 0 "[ . 1 . 2]" 1
1456 1 86 ASP HB3 1 88 TYR QD . . 4.780 4.241 3.462 4.832 0.052 3 0 "[ . 1 . 2]" 1
1457 1 87 THR H 1 87 THR HB . . 3.410 2.916 2.829 3.001 . 0 0 "[ . 1 . 2]" 1
1458 1 87 THR H 1 87 THR MG . . 4.140 4.005 3.965 4.038 . 0 0 "[ . 1 . 2]" 1
1459 1 87 THR H 1 88 TYR H . . 4.430 4.243 4.129 4.332 . 0 0 "[ . 1 . 2]" 1
1460 1 87 THR HA 1 87 THR MG . . 3.640 2.308 2.257 2.356 . 0 0 "[ . 1 . 2]" 1
1461 1 87 THR HB 1 88 TYR H . . 4.600 4.219 4.123 4.355 . 0 0 "[ . 1 . 2]" 1
1462 1 87 THR HB 1 88 TYR HA . . 4.770 4.740 4.629 4.821 0.051 17 0 "[ . 1 . 2]" 1
1463 1 87 THR MG 1 88 TYR H . . 3.430 2.951 2.779 3.252 . 0 0 "[ . 1 . 2]" 1
1464 1 88 TYR H 1 88 TYR HB2 . . 3.790 3.146 2.499 3.846 0.056 18 0 "[ . 1 . 2]" 1
1465 1 88 TYR H 1 88 TYR HB3 . . 3.790 3.468 3.088 3.789 . 0 0 "[ . 1 . 2]" 1
1466 1 88 TYR QB 1 89 VAL H . . 3.650 2.760 2.508 3.042 . 0 0 "[ . 1 . 2]" 1
1467 1 88 TYR HB2 1 89 VAL H . . 4.320 3.442 2.546 4.223 . 0 0 "[ . 1 . 2]" 1
1468 1 88 TYR HB3 1 89 VAL H . . 4.320 3.345 2.681 3.965 . 0 0 "[ . 1 . 2]" 1
1469 1 89 VAL H 1 89 VAL HB . . 3.640 2.866 2.646 3.156 . 0 0 "[ . 1 . 2]" 1
1470 1 89 VAL H 1 89 VAL QG . . 3.930 2.447 2.091 2.728 . 0 0 "[ . 1 . 2]" 1
1471 1 89 VAL H 1 90 LYS H . . 4.690 4.495 4.436 4.562 . 0 0 "[ . 1 . 2]" 1
1472 1 89 VAL H 1 90 LYS HB2 . . 5.500 5.501 5.313 5.585 0.085 14 0 "[ . 1 . 2]" 1
1473 1 89 VAL HA 1 90 LYS H . . 3.060 2.184 2.144 2.260 . 0 0 "[ . 1 . 2]" 1
1474 1 89 VAL HB 1 90 LYS H . . 4.330 3.989 3.771 4.182 . 0 0 "[ . 1 . 2]" 1
1475 1 89 VAL QG 1 90 LYS H . . 3.240 2.363 2.222 2.555 . 0 0 "[ . 1 . 2]" 1
1476 1 89 VAL QG 1 90 LYS HA . . 4.930 3.677 3.397 4.097 . 0 0 "[ . 1 . 2]" 1
1477 1 89 VAL QG 1 91 LEU H . . 4.760 4.135 3.803 4.685 . 0 0 "[ . 1 . 2]" 1
1478 1 90 LYS H 1 90 LYS HB2 . . 3.780 2.915 2.730 3.111 . 0 0 "[ . 1 . 2]" 1
1479 1 90 LYS H 1 90 LYS HB3 . . 3.780 2.747 2.605 2.931 . 0 0 "[ . 1 . 2]" 1
1480 1 90 LYS H 1 90 LYS QG . . 4.360 4.103 4.057 4.145 . 0 0 "[ . 1 . 2]" 1
1481 1 90 LYS H 1 91 LEU H . . 4.460 4.352 4.290 4.416 . 0 0 "[ . 1 . 2]" 1
1482 1 90 LYS H 1 91 LEU QB . . 4.890 4.703 4.446 4.897 0.007 11 0 "[ . 1 . 2]" 1
1483 1 90 LYS HB2 1 90 LYS QD . . 3.810 2.570 2.313 2.731 . 0 0 "[ . 1 . 2]" 1
1484 1 90 LYS HB2 1 91 LEU H . . 4.540 4.357 4.228 4.462 . 0 0 "[ . 1 . 2]" 1
1485 1 90 LYS HB3 1 90 LYS QD . . 3.530 2.486 2.308 2.916 . 0 0 "[ . 1 . 2]" 1
1486 1 90 LYS HB3 1 91 LEU H . . 4.090 4.118 3.992 4.198 0.108 15 0 "[ . 1 . 2]" 1
1487 1 90 LYS QE 1 91 LEU H . . 5.310 4.525 3.992 4.972 . 0 0 "[ . 1 . 2]" 1
1488 1 90 LYS HE2 1 90 LYS QG . . 3.780 2.558 2.250 3.324 . 0 0 "[ . 1 . 2]" 1
1489 1 90 LYS HE3 1 90 LYS QG . . 3.780 2.455 2.303 3.328 . 0 0 "[ . 1 . 2]" 1
1490 1 90 LYS QG 1 91 LEU H . . 3.370 2.716 2.601 2.922 . 0 0 "[ . 1 . 2]" 1
1491 1 91 LEU H 1 91 LEU QB . . 3.030 2.775 2.424 3.046 0.016 13 0 "[ . 1 . 2]" 1
1492 1 91 LEU H 1 91 LEU MD1 . . 4.200 4.165 4.078 4.224 0.024 8 0 "[ . 1 . 2]" 1
1493 1 91 LEU H 1 92 ASP H . . 4.520 4.448 4.364 4.501 . 0 0 "[ . 1 . 2]" 1
1494 1 91 LEU HA 1 91 LEU MD1 . . 4.290 3.563 3.280 3.799 . 0 0 "[ . 1 . 2]" 1
1495 1 91 LEU HA 1 92 ASP H . . 2.990 2.318 2.247 2.373 . 0 0 "[ . 1 . 2]" 1
1496 1 91 LEU QB 1 92 ASP H . . 3.830 3.242 2.619 3.895 0.065 9 0 "[ . 1 . 2]" 1
1497 1 91 LEU MD1 1 92 ASP H . . 3.150 3.071 2.821 3.217 0.067 5 0 "[ . 1 . 2]" 1
1498 1 91 LEU MD1 1 92 ASP QB . . 5.030 4.141 3.948 4.352 . 0 0 "[ . 1 . 2]" 1
1499 1 91 LEU MD1 1 93 LYS H . . 4.100 3.448 3.226 3.634 . 0 0 "[ . 1 . 2]" 1
1500 1 91 LEU MD1 1 93 LYS HA . . 4.290 2.862 2.658 3.064 . 0 0 "[ . 1 . 2]" 1
1501 1 91 LEU MD1 1 93 LYS QB . . 4.550 3.198 2.973 3.430 . 0 0 "[ . 1 . 2]" 1
1502 1 91 LEU MD1 1 93 LYS HG2 . . 5.490 4.812 4.382 5.165 . 0 0 "[ . 1 . 2]" 1
1503 1 91 LEU MD1 1 93 LYS HG3 . . 5.260 5.204 4.995 5.310 0.050 2 0 "[ . 1 . 2]" 1
1504 1 91 LEU MD1 1 94 ALA H . . 5.160 4.909 4.766 4.991 . 0 0 "[ . 1 . 2]" 1
1505 1 91 LEU MD1 1 95 VAL H . . 5.000 5.043 4.951 5.122 0.122 11 0 "[ . 1 . 2]" 1
1506 1 91 LEU MD1 1 100 LEU QD . . 5.440 4.650 4.070 5.329 . 0 0 "[ . 1 . 2]" 1
1507 1 92 ASP H 1 92 ASP HB2 . . 3.670 2.438 2.378 2.515 . 0 0 "[ . 1 . 2]" 1
1508 1 92 ASP H 1 92 ASP QB . . 3.090 2.404 2.348 2.476 . 0 0 "[ . 1 . 2]" 1
1509 1 92 ASP H 1 92 ASP HB3 . . 3.670 3.657 3.621 3.698 0.028 4 0 "[ . 1 . 2]" 1
1510 1 92 ASP H 1 93 LYS H . . 4.630 4.291 4.241 4.326 . 0 0 "[ . 1 . 2]" 1
1511 1 92 ASP H 1 94 ALA H . . 5.500 5.407 5.328 5.474 . 0 0 "[ . 1 . 2]" 1
1512 1 92 ASP H 1 95 VAL H . . 5.500 5.523 5.316 5.641 0.141 9 0 "[ . 1 . 2]" 1
1513 1 92 ASP H 1 95 VAL HB . . 5.500 4.875 4.547 5.308 . 0 0 "[ . 1 . 2]" 1
1514 1 92 ASP H 1 95 VAL MG1 . . 4.800 4.628 4.271 4.814 0.014 10 0 "[ . 1 . 2]" 1
1515 1 92 ASP HA 1 93 LYS HG2 . . 5.120 4.386 3.797 4.907 . 0 0 "[ . 1 . 2]" 1
1516 1 92 ASP HA 1 93 LYS HG3 . . 5.010 4.321 3.768 5.017 0.007 20 0 "[ . 1 . 2]" 1
1517 1 92 ASP HA 1 94 ALA MB . . 5.430 4.452 4.322 4.610 . 0 0 "[ . 1 . 2]" 1
1518 1 92 ASP QB 1 93 LYS H . . 3.860 3.573 3.536 3.615 . 0 0 "[ . 1 . 2]" 1
1519 1 92 ASP QB 1 94 ALA H . . 3.890 2.878 2.778 3.012 . 0 0 "[ . 1 . 2]" 1
1520 1 92 ASP QB 1 95 VAL HB . . 4.170 2.755 2.353 3.190 . 0 0 "[ . 1 . 2]" 1
1521 1 92 ASP QB 1 95 VAL MG1 . . 3.700 3.578 3.378 3.744 0.044 17 0 "[ . 1 . 2]" 1
1522 1 92 ASP HB2 1 94 ALA H . . 4.670 4.290 4.144 4.424 . 0 0 "[ . 1 . 2]" 1
1523 1 92 ASP HB2 1 95 VAL H . . 4.090 3.981 3.634 4.128 0.038 2 0 "[ . 1 . 2]" 1
1524 1 92 ASP HB2 1 95 VAL MG1 . . 4.370 3.856 3.578 4.085 . 0 0 "[ . 1 . 2]" 1
1525 1 92 ASP HB3 1 94 ALA H . . 4.670 2.924 2.818 3.076 . 0 0 "[ . 1 . 2]" 1
1526 1 92 ASP HB3 1 95 VAL H . . 4.090 3.311 3.110 3.498 . 0 0 "[ . 1 . 2]" 1
1527 1 92 ASP HB3 1 95 VAL MG1 . . 4.370 4.250 4.139 4.404 0.034 3 0 "[ . 1 . 2]" 1
1528 1 93 LYS H 1 93 LYS QB . . 3.340 2.574 2.396 2.732 . 0 0 "[ . 1 . 2]" 1
1529 1 93 LYS H 1 93 LYS QE . . 5.270 4.444 3.855 5.167 . 0 0 "[ . 1 . 2]" 1
1530 1 93 LYS H 1 93 LYS HG2 . . 3.660 2.533 1.970 3.057 . 0 0 "[ . 1 . 2]" 1
1531 1 93 LYS H 1 93 LYS HG3 . . 3.660 2.574 2.145 3.148 . 0 0 "[ . 1 . 2]" 1
1532 1 93 LYS H 1 94 ALA HA . . 5.210 5.245 5.217 5.267 0.057 18 0 "[ . 1 . 2]" 1
1533 1 93 LYS H 1 95 VAL H . . 4.660 4.543 4.459 4.650 . 0 0 "[ . 1 . 2]" 1
1534 1 93 LYS H 1 95 VAL MG1 . . 5.340 5.172 4.984 5.292 . 0 0 "[ . 1 . 2]" 1
1535 1 93 LYS HA 1 93 LYS QE . . 5.200 4.490 3.822 5.324 0.124 4 0 "[ . 1 . 2]" 1
1536 1 93 LYS HA 1 94 ALA H . . 3.530 3.399 3.352 3.434 . 0 0 "[ . 1 . 2]" 1
1537 1 93 LYS HA 1 94 ALA HA . . 5.500 4.760 4.718 4.784 . 0 0 "[ . 1 . 2]" 1
1538 1 93 LYS HA 1 95 VAL H . . 3.910 3.795 3.702 3.908 . 0 0 "[ . 1 . 2]" 1
1539 1 93 LYS QB 1 93 LYS QE . . 4.240 2.697 2.043 3.693 . 0 0 "[ . 1 . 2]" 1
1540 1 93 LYS QB 1 94 ALA H . . 3.820 3.780 3.727 3.844 0.024 2 0 "[ . 1 . 2]" 1
1541 1 93 LYS QB 1 94 ALA MB . . 4.830 4.577 4.481 4.665 . 0 0 "[ . 1 . 2]" 1
1542 1 93 LYS QD 1 94 ALA MB . . 4.870 4.322 3.675 4.847 . 0 0 "[ . 1 . 2]" 1
1543 1 93 LYS QE 1 94 ALA H . . 5.050 4.021 3.316 5.062 0.012 2 0 "[ . 1 . 2]" 1
1544 1 93 LYS QE 1 94 ALA MB . . 4.810 3.252 2.447 4.856 0.046 2 0 "[ . 1 . 2]" 1
1545 1 93 LYS HG3 1 94 ALA H . . 4.020 2.700 2.487 2.986 . 0 0 "[ . 1 . 2]" 1
1546 1 93 LYS HG3 1 94 ALA HA . . 4.370 3.908 3.308 4.324 . 0 0 "[ . 1 . 2]" 1
1547 1 93 LYS HG3 1 94 ALA MB . . 3.440 3.119 2.803 3.444 0.004 8 0 "[ . 1 . 2]" 1
1548 1 93 LYS HG3 1 95 VAL H . . 5.160 5.014 4.824 5.187 0.027 4 0 "[ . 1 . 2]" 1
1549 1 94 ALA H 1 94 ALA MB . . 2.490 2.237 2.215 2.263 . 0 0 "[ . 1 . 2]" 1
1550 1 94 ALA H 1 95 VAL H . . 2.860 2.593 2.521 2.653 . 0 0 "[ . 1 . 2]" 1
1551 1 94 ALA H 1 95 VAL HA . . 4.970 4.998 4.944 5.055 0.085 2 0 "[ . 1 . 2]" 1
1552 1 94 ALA HA 1 95 VAL H . . 3.330 3.357 3.320 3.389 0.059 8 0 "[ . 1 . 2]" 1
1553 1 94 ALA MB 1 95 VAL H . . 3.350 3.324 3.224 3.366 0.016 4 0 "[ . 1 . 2]" 1
1554 1 94 ALA MB 1 95 VAL HA . . 4.330 4.137 4.069 4.181 . 0 0 "[ . 1 . 2]" 1
1555 1 94 ALA MB 1 95 VAL HB . . 4.670 4.587 4.493 4.672 0.002 7 0 "[ . 1 . 2]" 1
1556 1 95 VAL H 1 95 VAL HB . . 2.860 2.286 2.188 2.405 . 0 0 "[ . 1 . 2]" 1
1557 1 95 VAL H 1 95 VAL MG1 . . 2.750 2.294 2.194 2.442 . 0 0 "[ . 1 . 2]" 1
1558 1 95 VAL H 1 95 VAL MG2 . . 3.880 3.685 3.611 3.770 . 0 0 "[ . 1 . 2]" 1
1559 1 95 VAL H 1 96 ASP H . . 4.780 4.658 4.636 4.694 . 0 0 "[ . 1 . 2]" 1
1560 1 95 VAL H 1 96 ASP HA . . 5.500 5.624 5.587 5.663 0.163 9 0 "[ . 1 . 2]" 1
1561 1 95 VAL H 1 100 LEU MD1 . . 5.500 5.472 4.889 5.682 0.182 20 0 "[ . 1 . 2]" 1
1562 1 95 VAL H 1 100 LEU QD . . 4.630 4.583 4.539 4.657 0.027 19 0 "[ . 1 . 2]" 1
1563 1 95 VAL H 1 100 LEU MD2 . . 5.500 4.997 4.772 5.527 0.027 18 0 "[ . 1 . 2]" 1
1564 1 95 VAL HA 1 95 VAL MG1 . . 3.350 3.230 3.208 3.240 . 0 0 "[ . 1 . 2]" 1
1565 1 95 VAL HA 1 95 VAL MG2 . . 3.310 2.230 2.181 2.300 . 0 0 "[ . 1 . 2]" 1
1566 1 95 VAL HA 1 96 ASP H . . 2.850 2.377 2.331 2.434 . 0 0 "[ . 1 . 2]" 1
1567 1 95 VAL HA 1 96 ASP QB . . 4.500 4.502 4.236 4.530 0.030 20 0 "[ . 1 . 2]" 1
1568 1 95 VAL HB 1 96 ASP H . . 4.360 4.083 4.012 4.156 . 0 0 "[ . 1 . 2]" 1
1569 1 95 VAL HB 1 100 LEU QD . . 4.400 3.425 3.307 3.614 . 0 0 "[ . 1 . 2]" 1
1570 1 95 VAL MG1 1 96 ASP H . . 3.460 3.269 3.039 3.375 . 0 0 "[ . 1 . 2]" 1
1571 1 95 VAL MG1 1 97 LEU H . . 4.780 3.706 3.457 4.046 . 0 0 "[ . 1 . 2]" 1
1572 1 95 VAL MG1 1 97 LEU HA . . 4.150 3.092 2.821 3.550 . 0 0 "[ . 1 . 2]" 1
1573 1 95 VAL MG1 1 97 LEU QD . . 4.590 3.693 2.976 4.524 . 0 0 "[ . 1 . 2]" 1
1574 1 95 VAL MG1 1 100 LEU H . . 4.220 4.260 4.049 4.390 0.170 17 0 "[ . 1 . 2]" 1
1575 1 95 VAL MG1 1 100 LEU QD . . 3.850 1.809 1.780 1.828 . 0 0 "[ . 1 . 2]" 1
1576 1 95 VAL MG1 1 100 LEU HG . . 3.420 2.738 2.383 3.409 . 0 0 "[ . 1 . 2]" 1
1577 1 95 VAL MG2 1 96 ASP H . . 3.170 2.113 2.063 2.201 . 0 0 "[ . 1 . 2]" 1
1578 1 95 VAL MG2 1 96 ASP HA . . 4.480 4.336 4.183 4.470 . 0 0 "[ . 1 . 2]" 1
1579 1 95 VAL MG2 1 99 GLY H . . 5.260 4.608 3.998 4.983 . 0 0 "[ . 1 . 2]" 1
1580 1 95 VAL MG2 1 100 LEU H . . 4.920 4.113 3.639 4.514 . 0 0 "[ . 1 . 2]" 1
1581 1 95 VAL MG2 1 100 LEU QD . . 3.120 1.987 1.804 2.416 . 0 0 "[ . 1 . 2]" 1
1582 1 95 VAL MG2 1 100 LEU HG . . 4.720 3.597 2.718 4.376 . 0 0 "[ . 1 . 2]" 1
1583 1 96 ASP H 1 96 ASP QB . . 2.880 2.356 2.319 2.403 . 0 0 "[ . 1 . 2]" 1
1584 1 96 ASP H 1 97 LEU H . . 4.600 4.392 4.263 4.561 . 0 0 "[ . 1 . 2]" 1
1585 1 96 ASP H 1 99 GLY HA3 . . 4.800 4.774 4.426 4.912 0.112 15 0 "[ . 1 . 2]" 1
1586 1 96 ASP H 1 100 LEU MD1 . . 5.020 5.073 5.021 5.153 0.133 11 0 "[ . 1 . 2]" 1
1587 1 96 ASP H 1 100 LEU MD2 . . 5.020 3.915 3.263 5.040 0.020 12 0 "[ . 1 . 2]" 1
1588 1 96 ASP HA 1 97 LEU H . . 3.180 2.177 2.136 2.212 . 0 0 "[ . 1 . 2]" 1
1589 1 96 ASP HA 1 97 LEU HB2 . . 4.890 4.476 4.254 4.638 . 0 0 "[ . 1 . 2]" 1
1590 1 96 ASP HA 1 97 LEU HB3 . . 5.180 4.696 4.382 4.926 . 0 0 "[ . 1 . 2]" 1
1591 1 96 ASP HA 1 98 ALA H . . 4.550 4.154 4.089 4.203 . 0 0 "[ . 1 . 2]" 1
1592 1 96 ASP HA 1 99 GLY H . . 4.490 4.566 4.333 4.627 0.137 8 0 "[ . 1 . 2]" 1
1593 1 96 ASP QB 1 97 LEU H . . 3.720 3.520 3.262 3.768 0.048 14 0 "[ . 1 . 2]" 1
1594 1 96 ASP QB 1 98 ALA H . . 4.180 3.494 3.035 3.890 . 0 0 "[ . 1 . 2]" 1
1595 1 96 ASP QB 1 99 GLY H . . 4.080 2.942 2.645 3.115 . 0 0 "[ . 1 . 2]" 1
1596 1 96 ASP QB 1 100 LEU H . . 4.740 4.677 4.113 4.805 0.065 9 0 "[ . 1 . 2]" 1
1597 1 97 LEU H 1 97 LEU HB2 . . 3.350 2.347 2.164 2.558 . 0 0 "[ . 1 . 2]" 1
1598 1 97 LEU H 1 97 LEU HB3 . . 3.270 2.650 2.367 2.882 . 0 0 "[ . 1 . 2]" 1
1599 1 97 LEU H 1 98 ALA H . . 3.930 2.976 2.898 3.058 . 0 0 "[ . 1 . 2]" 1
1600 1 97 LEU H 1 98 ALA HA . . 5.500 5.548 5.509 5.593 0.093 13 0 "[ . 1 . 2]" 1
1601 1 97 LEU H 1 100 LEU QD . . 4.770 3.987 3.777 4.512 . 0 0 "[ . 1 . 2]" 1
1602 1 97 LEU HA 1 97 LEU MD1 . . 3.990 3.065 2.240 3.501 . 0 0 "[ . 1 . 2]" 1
1603 1 97 LEU HA 1 97 LEU QD . . 3.250 2.131 1.997 2.298 . 0 0 "[ . 1 . 2]" 1
1604 1 97 LEU HA 1 97 LEU MD2 . . 3.990 2.329 2.056 3.923 . 0 0 "[ . 1 . 2]" 1
1605 1 97 LEU HA 1 100 LEU H . . 4.240 3.464 3.264 3.599 . 0 0 "[ . 1 . 2]" 1
1606 1 97 LEU HA 1 100 LEU HB2 . . 4.240 3.393 2.844 4.017 . 0 0 "[ . 1 . 2]" 1
1607 1 97 LEU HA 1 100 LEU QD . . 4.660 2.158 1.995 2.511 . 0 0 "[ . 1 . 2]" 1
1608 1 97 LEU HA 1 100 LEU HG . . 4.680 3.669 2.852 4.674 . 0 0 "[ . 1 . 2]" 1
1609 1 97 LEU HB2 1 97 LEU QD . . 3.060 2.378 2.118 2.528 . 0 0 "[ . 1 . 2]" 1
1610 1 97 LEU HB2 1 101 THR MG . . 5.090 5.085 4.734 5.176 0.086 7 0 "[ . 1 . 2]" 1
1611 1 97 LEU HB3 1 98 ALA MB . . 3.920 3.914 3.806 3.957 0.037 4 0 "[ . 1 . 2]" 1
1612 1 97 LEU HB3 1 101 THR MG . . 4.360 4.311 4.037 4.422 0.062 14 0 "[ . 1 . 2]" 1
1613 1 97 LEU QD 1 98 ALA H . . 4.070 3.260 3.003 3.627 . 0 0 "[ . 1 . 2]" 1
1614 1 97 LEU QD 1 98 ALA MB . . 4.960 3.698 3.337 4.161 . 0 0 "[ . 1 . 2]" 1
1615 1 97 LEU QD 1 100 LEU H . . 4.420 3.849 3.626 4.283 . 0 0 "[ . 1 . 2]" 1
1616 1 97 LEU QD 1 100 LEU HB2 . . 3.440 2.789 2.499 3.303 . 0 0 "[ . 1 . 2]" 1
1617 1 97 LEU QD 1 100 LEU QD . . 4.870 2.726 2.040 3.108 . 0 0 "[ . 1 . 2]" 1
1618 1 97 LEU QD 1 100 LEU HG . . 5.200 3.659 2.926 4.383 . 0 0 "[ . 1 . 2]" 1
1619 1 97 LEU QD 1 101 THR H . . 3.700 2.987 2.761 3.572 . 0 0 "[ . 1 . 2]" 1
1620 1 97 LEU QD 1 101 THR MG . . 3.260 2.028 1.898 2.900 . 0 0 "[ . 1 . 2]" 1
1621 1 97 LEU MD1 1 98 ALA H . . 4.880 3.416 3.073 4.378 . 0 0 "[ . 1 . 2]" 1
1622 1 97 LEU MD1 1 99 GLY H . . 5.500 4.725 4.628 5.036 . 0 0 "[ . 1 . 2]" 1
1623 1 97 LEU MD1 1 101 THR MG . . 4.020 2.072 1.912 3.072 . 0 0 "[ . 1 . 2]" 1
1624 1 97 LEU MD2 1 98 ALA H . . 4.880 4.399 3.669 4.750 . 0 0 "[ . 1 . 2]" 1
1625 1 97 LEU MD2 1 99 GLY H . . 5.500 5.216 4.779 5.703 0.203 14 0 "[ . 1 . 2]" 1
1626 1 97 LEU MD2 1 101 THR MG . . 4.020 3.285 2.451 4.075 0.055 11 0 "[ . 1 . 2]" 1
1627 1 97 LEU HG 1 101 THR MG . . 4.260 4.180 2.280 4.421 0.161 5 0 "[ . 1 . 2]" 1
1628 1 98 ALA H 1 98 ALA MB . . 2.830 2.193 2.173 2.215 . 0 0 "[ . 1 . 2]" 1
1629 1 98 ALA H 1 99 GLY H . . 3.750 2.884 2.670 2.940 . 0 0 "[ . 1 . 2]" 1
1630 1 98 ALA H 1 100 LEU H . . 5.090 4.558 4.451 4.769 . 0 0 "[ . 1 . 2]" 1
1631 1 98 ALA H 1 101 THR MG . . 4.670 4.028 3.951 4.084 . 0 0 "[ . 1 . 2]" 1
1632 1 98 ALA HA 1 100 LEU H . . 5.500 4.475 4.321 4.749 . 0 0 "[ . 1 . 2]" 1
1633 1 98 ALA HA 1 101 THR H . . 4.290 3.969 3.806 4.096 . 0 0 "[ . 1 . 2]" 1
1634 1 98 ALA HA 1 102 ALA H . . 4.630 4.255 4.040 4.454 . 0 0 "[ . 1 . 2]" 1
1635 1 98 ALA MB 1 99 GLY H . . 3.210 2.974 2.857 3.041 . 0 0 "[ . 1 . 2]" 1
1636 1 98 ALA MB 1 99 GLY HA2 . . 4.160 4.159 4.117 4.194 0.034 15 0 "[ . 1 . 2]" 1
1637 1 98 ALA MB 1 101 THR MG . . 3.520 3.524 3.414 3.554 0.034 12 0 "[ . 1 . 2]" 1
1638 1 99 GLY H 1 100 LEU H . . 3.610 2.579 2.381 2.668 . 0 0 "[ . 1 . 2]" 1
1639 1 99 GLY H 1 100 LEU HB2 . . 5.370 4.830 4.425 5.184 . 0 0 "[ . 1 . 2]" 1
1640 1 99 GLY H 1 100 LEU MD1 . . 5.310 5.105 4.592 5.362 0.052 15 0 "[ . 1 . 2]" 1
1641 1 99 GLY H 1 100 LEU QD . . 4.530 3.489 3.050 4.563 0.033 6 0 "[ . 1 . 2]" 1
1642 1 99 GLY H 1 100 LEU MD2 . . 5.310 3.669 3.071 5.310 0.000 6 0 "[ . 1 . 2]" 1
1643 1 99 GLY H 1 101 THR H . . 4.670 4.503 4.170 4.661 . 0 0 "[ . 1 . 2]" 1
1644 1 99 GLY H 1 102 ALA H . . 4.770 4.777 4.645 4.832 0.062 9 0 "[ . 1 . 2]" 1
1645 1 99 GLY H 1 102 ALA MB . . 4.890 4.677 4.616 4.831 . 0 0 "[ . 1 . 2]" 1
1646 1 99 GLY HA2 1 102 ALA H . . 4.130 3.812 3.653 3.935 . 0 0 "[ . 1 . 2]" 1
1647 1 99 GLY HA2 1 102 ALA MB . . 3.640 2.763 2.644 2.895 . 0 0 "[ . 1 . 2]" 1
1648 1 99 GLY HA3 1 102 ALA MB . . 4.220 4.170 4.078 4.281 0.061 14 0 "[ . 1 . 2]" 1
1649 1 99 GLY HA3 1 103 ARG QD . . 4.960 4.250 3.925 4.829 . 0 0 "[ . 1 . 2]" 1
1650 1 100 LEU H 1 100 LEU HB2 . . 3.820 2.563 2.429 2.783 . 0 0 "[ . 1 . 2]" 1
1651 1 100 LEU H 1 100 LEU HB3 . . 3.650 3.626 3.592 3.693 0.043 9 0 "[ . 1 . 2]" 1
1652 1 100 LEU H 1 100 LEU MD1 . . 3.550 3.340 2.763 3.584 0.034 15 0 "[ . 1 . 2]" 1
1653 1 100 LEU H 1 100 LEU MD2 . . 3.550 2.197 1.701 3.438 . 0 0 "[ . 1 . 2]" 1
1654 1 100 LEU H 1 100 LEU HG . . 3.920 3.379 2.139 3.938 0.018 2 0 "[ . 1 . 2]" 1
1655 1 100 LEU H 1 101 THR H . . 3.440 2.848 2.742 2.955 . 0 0 "[ . 1 . 2]" 1
1656 1 100 LEU H 1 102 ALA H . . 4.050 3.891 3.724 4.083 0.033 8 0 "[ . 1 . 2]" 1
1657 1 100 LEU H 1 103 ARG H . . 5.130 4.840 4.669 5.022 . 0 0 "[ . 1 . 2]" 1
1658 1 100 LEU H 1 103 ARG QD . . 4.450 4.386 4.142 4.496 0.046 8 0 "[ . 1 . 2]" 1
1659 1 100 LEU H 1 103 ARG QG . . 4.700 4.402 4.292 4.531 . 0 0 "[ . 1 . 2]" 1
1660 1 100 LEU HA 1 100 LEU QD . . 3.460 2.213 2.137 2.273 . 0 0 "[ . 1 . 2]" 1
1661 1 100 LEU HA 1 102 ALA H . . 4.440 4.089 3.966 4.312 . 0 0 "[ . 1 . 2]" 1
1662 1 100 LEU HA 1 103 ARG H . . 3.630 3.497 3.370 3.656 0.026 6 0 "[ . 1 . 2]" 1
1663 1 100 LEU HA 1 103 ARG QG . . 4.480 2.177 2.080 2.362 . 0 0 "[ . 1 . 2]" 1
1664 1 100 LEU HB2 1 100 LEU QD . . 3.120 2.248 2.084 2.397 . 0 0 "[ . 1 . 2]" 1
1665 1 100 LEU HB2 1 101 THR H . . 3.480 2.176 2.115 2.259 . 0 0 "[ . 1 . 2]" 1
1666 1 100 LEU HB2 1 102 ALA H . . 4.580 4.641 4.582 4.681 0.101 8 0 "[ . 1 . 2]" 1
1667 1 100 LEU HB3 1 101 THR H . . 3.660 3.279 3.179 3.498 . 0 0 "[ . 1 . 2]" 1
1668 1 100 LEU HB3 1 101 THR MG . . 5.470 4.699 4.497 5.024 . 0 0 "[ . 1 . 2]" 1
1669 1 100 LEU HB3 1 104 LEU QB . . 3.930 3.608 3.098 3.853 . 0 0 "[ . 1 . 2]" 1
1670 1 100 LEU HB3 1 104 LEU QD . . 4.440 3.303 2.771 4.220 . 0 0 "[ . 1 . 2]" 1
1671 1 100 LEU QD 1 101 THR H . . 3.720 3.521 3.201 3.769 0.049 12 0 "[ . 1 . 2]" 1
1672 1 100 LEU QD 1 102 ALA H . . 5.440 4.791 4.581 5.290 . 0 0 "[ . 1 . 2]" 1
1673 1 100 LEU QD 1 103 ARG H . . 5.380 4.788 4.528 5.128 . 0 0 "[ . 1 . 2]" 1
1674 1 100 LEU QD 1 103 ARG QG . . 4.270 3.380 3.143 3.670 . 0 0 "[ . 1 . 2]" 1
1675 1 100 LEU MD1 1 101 THR H . . 4.610 4.462 3.950 4.671 0.061 20 0 "[ . 1 . 2]" 1
1676 1 100 LEU MD2 1 101 THR H . . 4.610 3.818 3.275 4.619 0.009 6 0 "[ . 1 . 2]" 1
1677 1 101 THR H 1 101 THR HB . . 3.290 2.830 2.610 3.016 . 0 0 "[ . 1 . 2]" 1
1678 1 101 THR H 1 101 THR MG . . 3.190 2.008 1.917 2.127 . 0 0 "[ . 1 . 2]" 1
1679 1 101 THR H 1 102 ALA H . . 3.340 2.862 2.792 2.917 . 0 0 "[ . 1 . 2]" 1
1680 1 101 THR H 1 102 ALA MB . . 4.690 4.567 4.460 4.646 . 0 0 "[ . 1 . 2]" 1
1681 1 101 THR H 1 103 ARG H . . 4.750 4.574 4.487 4.676 . 0 0 "[ . 1 . 2]" 1
1682 1 101 THR H 1 104 LEU H . . 4.950 4.858 4.821 4.904 . 0 0 "[ . 1 . 2]" 1
1683 1 101 THR H 1 104 LEU QB . . 4.680 4.695 4.357 4.817 0.137 16 0 "[ . 1 . 2]" 1
1684 1 101 THR HA 1 101 THR MG . . 3.440 3.215 3.173 3.239 . 0 0 "[ . 1 . 2]" 1
1685 1 101 THR HA 1 103 ARG H . . 5.010 4.542 4.322 4.754 . 0 0 "[ . 1 . 2]" 1
1686 1 101 THR HA 1 104 LEU QB . . 4.050 3.347 2.472 3.838 . 0 0 "[ . 1 . 2]" 1
1687 1 101 THR HA 1 104 LEU QD . . 3.710 2.295 2.023 2.688 . 0 0 "[ . 1 . 2]" 1
1688 1 101 THR HA 1 105 ALA H . . 3.940 3.780 3.510 3.986 0.046 15 0 "[ . 1 . 2]" 1
1689 1 101 THR MG 1 102 ALA H . . 3.590 2.753 2.621 2.935 . 0 0 "[ . 1 . 2]" 1
1690 1 101 THR MG 1 102 ALA MB . . 3.660 3.652 3.528 3.698 0.038 2 0 "[ . 1 . 2]" 1
1691 1 101 THR MG 1 103 ARG QG . . 5.500 5.528 5.504 5.558 0.058 8 0 "[ . 1 . 2]" 1
1692 1 101 THR MG 1 104 LEU H . . 5.500 5.542 5.445 5.609 0.109 5 0 "[ . 1 . 2]" 1
1693 1 101 THR MG 1 104 LEU QD . . 4.570 4.295 4.034 4.581 0.011 8 0 "[ . 1 . 2]" 1
1694 1 102 ALA H 1 102 ALA MB . . 2.600 2.271 2.222 2.300 . 0 0 "[ . 1 . 2]" 1
1695 1 102 ALA H 1 103 ARG QD . . 5.150 5.130 4.969 5.251 0.101 19 0 "[ . 1 . 2]" 1
1696 1 102 ALA H 1 103 ARG QG . . 4.090 3.920 3.660 4.029 . 0 0 "[ . 1 . 2]" 1
1697 1 102 ALA H 1 104 LEU H . . 4.160 4.076 3.877 4.190 0.030 20 0 "[ . 1 . 2]" 1
1698 1 102 ALA HA 1 103 ARG HA . . 4.830 4.728 4.715 4.757 . 0 0 "[ . 1 . 2]" 1
1699 1 102 ALA MB 1 103 ARG H . . 2.980 2.597 2.470 2.750 . 0 0 "[ . 1 . 2]" 1
1700 1 102 ALA MB 1 103 ARG QB . . 3.980 3.760 3.586 3.910 . 0 0 "[ . 1 . 2]" 1
1701 1 102 ALA MB 1 103 ARG QG . . 4.000 3.992 3.858 4.050 0.050 5 0 "[ . 1 . 2]" 1
1702 1 103 ARG H 1 103 ARG QB . . 2.950 2.627 2.537 2.768 . 0 0 "[ . 1 . 2]" 1
1703 1 103 ARG H 1 103 ARG QD . . 3.750 3.548 3.362 3.831 0.081 19 0 "[ . 1 . 2]" 1
1704 1 103 ARG H 1 103 ARG QG . . 3.510 2.014 1.856 2.116 . 0 0 "[ . 1 . 2]" 1
1705 1 103 ARG H 1 104 LEU H . . 3.410 2.558 2.433 2.703 . 0 0 "[ . 1 . 2]" 1
1706 1 103 ARG H 1 104 LEU QD . . 5.210 4.902 4.602 5.225 0.015 20 0 "[ . 1 . 2]" 1
1707 1 103 ARG H 1 105 ALA H . . 4.350 3.930 3.809 4.107 . 0 0 "[ . 1 . 2]" 1
1708 1 103 ARG QB 1 103 ARG QD . . 3.500 2.324 2.111 2.665 . 0 0 "[ . 1 . 2]" 1
1709 1 103 ARG QD 1 104 LEU H . . 4.340 4.249 4.115 4.374 0.034 8 0 "[ . 1 . 2]" 1
1710 1 103 ARG QG 1 104 LEU HA . . 4.590 3.719 3.517 3.922 . 0 0 "[ . 1 . 2]" 1
1711 1 103 ARG QG 1 104 LEU QB . . 4.300 3.095 2.924 3.297 . 0 0 "[ . 1 . 2]" 1
1712 1 103 ARG QG 1 104 LEU QD . . 4.590 4.177 4.004 4.547 . 0 0 "[ . 1 . 2]" 1
1713 1 104 LEU H 1 104 LEU QB . . 3.140 2.093 2.046 2.151 . 0 0 "[ . 1 . 2]" 1
1714 1 104 LEU H 1 104 LEU QD . . 3.630 3.337 3.029 3.651 0.021 20 0 "[ . 1 . 2]" 1
1715 1 104 LEU HA 1 104 LEU MD1 . . 4.040 3.424 2.386 3.943 . 0 0 "[ . 1 . 2]" 1
1716 1 104 LEU HA 1 104 LEU QD . . 3.490 3.081 2.368 3.384 . 0 0 "[ . 1 . 2]" 1
1717 1 104 LEU HA 1 104 LEU MD2 . . 4.040 3.797 2.533 4.115 0.075 14 0 "[ . 1 . 2]" 1
1718 1 104 LEU QD 1 105 ALA H . . 3.790 3.231 2.542 3.880 0.090 20 0 "[ . 1 . 2]" 1
1719 1 104 LEU QD 1 106 HIS H . . 4.350 4.419 4.199 4.462 0.112 2 0 "[ . 1 . 2]" 1
1720 1 104 LEU QD 1 108 VAL H . . 4.580 3.837 3.244 4.209 . 0 0 "[ . 1 . 2]" 1
1721 1 104 LEU QD 1 108 VAL HB . . 5.440 4.779 4.278 5.481 0.041 20 0 "[ . 1 . 2]" 1
1722 1 104 LEU QD 1 108 VAL QG . . 3.040 2.654 2.076 3.057 0.017 20 0 "[ . 1 . 2]" 1
1723 1 104 LEU HG 1 108 VAL QG . . 4.300 3.581 2.856 4.368 0.068 8 0 "[ . 1 . 2]" 1
1724 1 105 ALA H 1 105 ALA MB . . 2.660 2.251 2.214 2.286 . 0 0 "[ . 1 . 2]" 1
1725 1 105 ALA H 1 106 HIS H . . 3.570 2.999 2.841 3.174 . 0 0 "[ . 1 . 2]" 1
1726 1 105 ALA H 1 108 VAL H . . 5.350 5.039 4.927 5.222 . 0 0 "[ . 1 . 2]" 1
1727 1 105 ALA HA 1 106 HIS H . . 3.530 3.462 3.435 3.497 . 0 0 "[ . 1 . 2]" 1
1728 1 105 ALA HA 1 106 HIS HA . . 4.960 4.939 4.884 4.975 0.015 7 0 "[ . 1 . 2]" 1
1729 1 105 ALA HA 1 108 VAL HB . . 4.670 3.325 2.112 4.626 . 0 0 "[ . 1 . 2]" 1
1730 1 105 ALA HA 1 108 VAL MG1 . . 4.490 2.987 2.204 3.725 . 0 0 "[ . 1 . 2]" 1
1731 1 105 ALA HA 1 108 VAL QG . . 3.600 2.209 1.897 2.617 . 0 0 "[ . 1 . 2]" 1
1732 1 105 ALA HA 1 108 VAL MG2 . . 4.490 2.302 2.035 2.678 . 0 0 "[ . 1 . 2]" 1
1733 1 105 ALA HA 1 109 HIS H . . 5.140 3.932 3.629 4.285 . 0 0 "[ . 1 . 2]" 1
1734 1 105 ALA MB 1 106 HIS H . . 3.130 3.041 2.976 3.122 . 0 0 "[ . 1 . 2]" 1
1735 1 105 ALA MB 1 106 HIS HA . . 5.030 4.110 4.033 4.168 . 0 0 "[ . 1 . 2]" 1
1736 1 105 ALA MB 1 107 HIS H . . 5.310 4.567 4.477 4.633 . 0 0 "[ . 1 . 2]" 1
1737 1 105 ALA MB 1 108 VAL H . . 4.740 4.175 4.016 4.325 . 0 0 "[ . 1 . 2]" 1
1738 1 105 ALA MB 1 108 VAL MG1 . . 4.940 3.612 3.412 3.824 . 0 0 "[ . 1 . 2]" 1
1739 1 105 ALA MB 1 108 VAL QG . . 3.700 2.801 2.306 3.326 . 0 0 "[ . 1 . 2]" 1
1740 1 105 ALA MB 1 108 VAL MG2 . . 4.940 3.009 2.334 3.702 . 0 0 "[ . 1 . 2]" 1
1741 1 105 ALA MB 1 109 HIS H . . 5.100 4.015 3.808 4.298 . 0 0 "[ . 1 . 2]" 1
1742 1 106 HIS H 1 106 HIS HB2 . . 3.570 2.321 2.050 3.578 0.008 5 0 "[ . 1 . 2]" 1
1743 1 106 HIS H 1 106 HIS QB . . 2.980 2.222 2.031 2.426 . 0 0 "[ . 1 . 2]" 1
1744 1 106 HIS H 1 106 HIS HB3 . . 3.570 3.352 2.342 3.586 0.016 14 0 "[ . 1 . 2]" 1
1745 1 106 HIS HA 1 109 HIS H . . 4.380 3.864 3.718 4.048 . 0 0 "[ . 1 . 2]" 1
1746 1 107 HIS H 1 108 VAL HA . . 5.310 5.209 5.150 5.261 . 0 0 "[ . 1 . 2]" 1
1747 1 108 VAL H 1 108 VAL HB . . 3.670 3.055 2.401 3.672 0.002 14 0 "[ . 1 . 2]" 1
1748 1 108 VAL H 1 108 VAL QG . . 2.640 2.081 1.914 2.329 . 0 0 "[ . 1 . 2]" 1
1749 1 108 VAL H 1 110 ALA H . . 4.680 4.395 4.254 4.562 . 0 0 "[ . 1 . 2]" 1
1750 1 108 VAL HA 1 108 VAL MG1 . . 3.420 2.555 2.519 2.608 . 0 0 "[ . 1 . 2]" 1
1751 1 108 VAL HA 1 108 VAL QG . . 2.870 2.319 2.158 2.503 . 0 0 "[ . 1 . 2]" 1
1752 1 108 VAL HA 1 108 VAL MG2 . . 3.420 2.793 2.322 3.243 . 0 0 "[ . 1 . 2]" 1
1753 1 108 VAL HA 1 110 ALA H . . 4.620 3.531 3.379 3.707 . 0 0 "[ . 1 . 2]" 1
1754 1 108 VAL HA 1 111 GLU H . . 4.250 3.981 3.822 4.087 . 0 0 "[ . 1 . 2]" 1
1755 1 108 VAL HA 1 112 GLY H . . 5.300 4.648 4.435 4.931 . 0 0 "[ . 1 . 2]" 1
1756 1 108 VAL HB 1 109 HIS H . . 4.100 3.544 2.858 4.201 0.101 15 0 "[ . 1 . 2]" 1
1757 1 108 VAL HB 1 110 ALA H . . 5.230 5.144 5.075 5.246 0.016 20 0 "[ . 1 . 2]" 1
1758 1 108 VAL HB 1 113 LEU H . . 4.430 4.302 3.903 4.512 0.082 11 0 "[ . 1 . 2]" 1
1759 1 108 VAL QG 1 109 HIS H . . 3.660 2.924 2.409 3.411 . 0 0 "[ . 1 . 2]" 1
1760 1 108 VAL QG 1 109 HIS HA . . 4.470 3.538 3.295 3.817 . 0 0 "[ . 1 . 2]" 1
1761 1 108 VAL QG 1 110 ALA H . . 5.200 4.312 4.219 4.412 . 0 0 "[ . 1 . 2]" 1
1762 1 108 VAL QG 1 110 ALA MB . . 5.440 4.627 4.424 4.718 . 0 0 "[ . 1 . 2]" 1
1763 1 108 VAL QG 1 111 GLU QB . . 5.010 4.456 3.886 4.952 . 0 0 "[ . 1 . 2]" 1
1764 1 108 VAL QG 1 112 GLY H . . 4.630 3.740 3.427 4.026 . 0 0 "[ . 1 . 2]" 1
1765 1 108 VAL QG 1 112 GLY QA . . 4.310 3.973 3.699 4.229 . 0 0 "[ . 1 . 2]" 1
1766 1 108 VAL QG 1 113 LEU H . . 3.000 2.439 2.115 2.808 . 0 0 "[ . 1 . 2]" 1
1767 1 108 VAL MG1 1 109 HIS H . . 4.660 3.672 3.448 3.872 . 0 0 "[ . 1 . 2]" 1
1768 1 108 VAL MG2 1 109 HIS H . . 4.660 3.313 2.440 4.121 . 0 0 "[ . 1 . 2]" 1
1769 1 109 HIS H 1 109 HIS QB . . 3.000 2.157 2.013 2.495 . 0 0 "[ . 1 . 2]" 1
1770 1 109 HIS H 1 110 ALA H . . 3.560 2.989 2.914 3.042 . 0 0 "[ . 1 . 2]" 1
1771 1 109 HIS H 1 110 ALA MB . . 4.640 4.577 4.476 4.641 0.001 18 0 "[ . 1 . 2]" 1
1772 1 109 HIS HA 1 111 GLU H . . 4.020 3.844 3.689 4.013 . 0 0 "[ . 1 . 2]" 1
1773 1 109 HIS HA 1 112 GLY H . . 3.620 2.700 2.467 2.861 . 0 0 "[ . 1 . 2]" 1
1774 1 109 HIS HA 1 113 LEU H . . 3.510 3.454 3.164 3.575 0.065 3 0 "[ . 1 . 2]" 1
1775 1 109 HIS QB 1 110 ALA H . . 3.400 3.232 3.128 3.309 . 0 0 "[ . 1 . 2]" 1
1776 1 109 HIS HB2 1 112 GLY H . . 5.500 5.300 5.060 5.438 . 0 0 "[ . 1 . 2]" 1
1777 1 109 HIS HB3 1 112 GLY H . . 5.500 5.084 4.763 5.369 . 0 0 "[ . 1 . 2]" 1
1778 1 110 ALA H 1 110 ALA MB . . 2.790 2.198 2.138 2.222 . 0 0 "[ . 1 . 2]" 1
1779 1 110 ALA H 1 111 GLU H . . 3.840 2.833 2.738 2.922 . 0 0 "[ . 1 . 2]" 1
1780 1 110 ALA H 1 111 GLU QB . . 5.340 4.908 4.769 5.103 . 0 0 "[ . 1 . 2]" 1
1781 1 110 ALA H 1 112 GLY QA . . 5.500 5.005 4.930 5.193 . 0 0 "[ . 1 . 2]" 1
1782 1 110 ALA MB 1 111 GLU H . . 3.010 2.640 2.485 2.777 . 0 0 "[ . 1 . 2]" 1
1783 1 110 ALA MB 1 111 GLU QG . . 5.280 4.513 3.021 5.319 0.039 20 0 "[ . 1 . 2]" 1
1784 1 110 ALA MB 1 112 GLY H . . 4.560 4.320 4.226 4.427 . 0 0 "[ . 1 . 2]" 1
1785 1 111 GLU H 1 111 GLU QB . . 2.890 2.476 2.379 2.591 . 0 0 "[ . 1 . 2]" 1
1786 1 111 GLU H 1 112 GLY QA . . 4.080 4.007 3.963 4.083 0.003 15 0 "[ . 1 . 2]" 1
1787 1 111 GLU H 1 113 LEU H . . 4.750 4.231 3.875 4.613 . 0 0 "[ . 1 . 2]" 1
1788 1 111 GLU QB 1 112 GLY H . . 3.590 3.048 2.858 3.191 . 0 0 "[ . 1 . 2]" 1
1789 1 112 GLY H 1 112 GLY QA . . 2.580 2.270 2.246 2.297 . 0 0 "[ . 1 . 2]" 1
1790 1 112 GLY H 1 113 LEU H . . 2.860 2.562 2.311 2.836 . 0 0 "[ . 1 . 2]" 1
1791 1 112 GLY QA 1 113 LEU H . . 2.770 2.601 2.395 2.802 0.032 8 0 "[ . 1 . 2]" 1
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