NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
453665 |
2yt7   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yt7
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 1628
_Distance_constraint_stats_list.Viol_count 361
_Distance_constraint_stats_list.Viol_total 516.283
_Distance_constraint_stats_list.Viol_max 1.301
_Distance_constraint_stats_list.Viol_rms 0.0287
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0715
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 CYS 0.003 0.003 11 0 "[ . 1 . 2]"
1 11 ARG 0.076 0.024 7 0 "[ . 1 . 2]"
1 12 GLU 0.132 0.039 16 0 "[ . 1 . 2]"
1 13 VAL 0.046 0.011 3 0 "[ . 1 . 2]"
1 14 HIS 0.039 0.021 14 0 "[ . 1 . 2]"
1 15 LEU 0.053 0.011 14 0 "[ . 1 . 2]"
1 16 GLU 0.060 0.013 18 0 "[ . 1 . 2]"
1 17 LYS 0.290 0.050 11 0 "[ . 1 . 2]"
1 18 ARG 0.004 0.003 5 0 "[ . 1 . 2]"
1 19 ARG 0.008 0.004 6 0 "[ . 1 . 2]"
1 20 GLY 0.039 0.010 16 0 "[ . 1 . 2]"
1 21 GLU 0.012 0.008 11 0 "[ . 1 . 2]"
1 22 GLY 0.003 0.003 3 0 "[ . 1 . 2]"
1 23 LEU 0.039 0.007 18 0 "[ . 1 . 2]"
1 24 GLY 0.003 0.003 4 0 "[ . 1 . 2]"
1 25 VAL 0.012 0.007 18 0 "[ . 1 . 2]"
1 26 ALA 0.028 0.006 15 0 "[ . 1 . 2]"
1 27 LEU 0.007 0.003 18 0 "[ . 1 . 2]"
1 28 VAL 0.005 0.003 18 0 "[ . 1 . 2]"
1 29 GLU 0.003 0.003 10 0 "[ . 1 . 2]"
1 30 SER 0.006 0.005 10 0 "[ . 1 . 2]"
1 31 GLY 0.007 0.006 4 0 "[ . 1 . 2]"
1 32 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLY 0.002 0.002 7 0 "[ . 1 . 2]"
1 34 SER 0.002 0.002 7 0 "[ . 1 . 2]"
1 35 LEU 0.065 0.052 20 0 "[ . 1 . 2]"
1 36 LEU 0.113 0.038 6 0 "[ . 1 . 2]"
1 37 PRO 0.062 0.038 6 0 "[ . 1 . 2]"
1 38 THR 0.072 0.017 5 0 "[ . 1 . 2]"
1 39 ALA 0.046 0.014 5 0 "[ . 1 . 2]"
1 40 VAL 0.018 0.005 10 0 "[ . 1 . 2]"
1 41 ILE 23.083 1.301 5 20 [****+*******-*******]
1 42 ALA 0.007 0.003 18 0 "[ . 1 . 2]"
1 43 ASN 0.026 0.009 14 0 "[ . 1 . 2]"
1 44 LEU 0.026 0.009 14 0 "[ . 1 . 2]"
1 45 LEU 0.003 0.003 4 0 "[ . 1 . 2]"
1 46 HIS 0.009 0.004 5 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 3 0 "[ . 1 . 2]"
1 49 PRO 0.023 0.005 14 0 "[ . 1 . 2]"
1 50 ALA 0.007 0.004 14 0 "[ . 1 . 2]"
1 51 GLU 0.001 0.000 1 0 "[ . 1 . 2]"
1 52 ARG 0.155 0.024 15 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLY 0.001 0.001 10 0 "[ . 1 . 2]"
1 55 ALA 0.009 0.006 16 0 "[ . 1 . 2]"
1 56 LEU 0.012 0.012 19 0 "[ . 1 . 2]"
1 57 SER 0.009 0.004 5 0 "[ . 1 . 2]"
1 58 ILE 0.031 0.030 16 0 "[ . 1 . 2]"
1 59 GLY 0.010 0.004 4 0 "[ . 1 . 2]"
1 60 ASP 23.058 1.301 5 20 [****+*******-*******]
1 61 ARG 0.053 0.017 5 0 "[ . 1 . 2]"
1 62 LEU 0.009 0.003 11 0 "[ . 1 . 2]"
1 63 THR 0.065 0.017 5 0 "[ . 1 . 2]"
1 64 ALA 0.039 0.012 16 0 "[ . 1 . 2]"
1 65 ILE 0.009 0.005 5 0 "[ . 1 . 2]"
1 66 ASN 0.008 0.004 3 0 "[ . 1 . 2]"
1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 THR 0.001 0.001 9 0 "[ . 1 . 2]"
1 69 SER 0.000 0.000 15 0 "[ . 1 . 2]"
1 70 LEU 0.021 0.007 14 0 "[ . 1 . 2]"
1 71 VAL 0.045 0.010 10 0 "[ . 1 . 2]"
1 72 GLY 0.030 0.010 10 0 "[ . 1 . 2]"
1 73 LEU 0.007 0.007 14 0 "[ . 1 . 2]"
1 74 PRO 0.011 0.002 14 0 "[ . 1 . 2]"
1 75 LEU 0.019 0.012 11 0 "[ . 1 . 2]"
1 76 ALA 0.005 0.002 18 0 "[ . 1 . 2]"
1 77 ALA 0.007 0.002 14 0 "[ . 1 . 2]"
1 78 CYS 0.001 0.001 19 0 "[ . 1 . 2]"
1 79 GLN 0.010 0.003 18 0 "[ . 1 . 2]"
1 80 ALA 0.001 0.001 17 0 "[ . 1 . 2]"
1 81 ALA 0.006 0.005 19 0 "[ . 1 . 2]"
1 82 VAL 0.009 0.003 5 0 "[ . 1 . 2]"
1 83 ARG 0.003 0.001 17 0 "[ . 1 . 2]"
1 84 GLU 0.008 0.005 19 0 "[ . 1 . 2]"
1 85 THR 0.038 0.006 14 0 "[ . 1 . 2]"
1 86 LYS 0.100 0.028 3 0 "[ . 1 . 2]"
1 87 SER 0.026 0.012 11 0 "[ . 1 . 2]"
1 88 GLN 1.240 0.167 19 0 "[ . 1 . 2]"
1 89 THR 0.084 0.075 11 0 "[ . 1 . 2]"
1 90 SER 1.054 0.167 19 0 "[ . 1 . 2]"
1 91 VAL 0.164 0.026 13 0 "[ . 1 . 2]"
1 92 THR 0.021 0.007 11 0 "[ . 1 . 2]"
1 93 LEU 0.031 0.008 16 0 "[ . 1 . 2]"
1 94 SER 0.067 0.017 5 0 "[ . 1 . 2]"
1 95 ILE 0.046 0.012 11 0 "[ . 1 . 2]"
1 96 VAL 0.009 0.004 5 0 "[ . 1 . 2]"
1 97 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 PRO 0.000 0.000 1 0 "[ . 1 . 2]"
1 101 VAL 0.000 0.000 1 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 93 LEU H 1 93 LEU HB2 . . 3.670 2.456 2.344 2.559 . 0 0 "[ . 1 . 2]" 1
2 1 93 LEU H 1 93 LEU HG . . 3.990 2.589 2.336 2.874 . 0 0 "[ . 1 . 2]" 1
3 1 13 VAL MG1 1 93 LEU H . . 4.220 3.968 3.735 4.203 . 0 0 "[ . 1 . 2]" 1
4 1 93 LEU H 1 93 LEU MD1 . . 4.470 3.812 3.511 4.042 . 0 0 "[ . 1 . 2]" 1
5 1 92 THR HA 1 93 LEU H . . 2.930 2.164 2.143 2.187 . 0 0 "[ . 1 . 2]" 1
6 1 25 VAL HB 1 26 ALA H . . 3.830 3.186 2.607 3.533 . 0 0 "[ . 1 . 2]" 1
7 1 25 VAL MG1 1 26 ALA H . . 3.910 3.697 3.399 3.876 . 0 0 "[ . 1 . 2]" 1
8 1 66 ASN H 1 67 GLY H . . 3.880 2.731 2.619 2.870 . 0 0 "[ . 1 . 2]" 1
9 1 65 ILE HA 1 66 ASN H . . 3.100 2.156 2.139 2.184 . 0 0 "[ . 1 . 2]" 1
10 1 97 HIS H 1 97 HIS HB3 . . 3.980 2.630 2.303 3.611 . 0 0 "[ . 1 . 2]" 1
11 1 10 CYS HA 1 97 HIS H . . 4.310 3.147 2.262 4.102 . 0 0 "[ . 1 . 2]" 1
12 1 96 VAL HA 1 97 HIS H . . 3.150 2.167 2.140 2.225 . 0 0 "[ . 1 . 2]" 1
13 1 14 HIS H 1 14 HIS HB3 . . 3.780 3.601 2.861 3.663 . 0 0 "[ . 1 . 2]" 1
14 1 13 VAL HA 1 14 HIS H . . 2.910 2.165 2.148 2.182 . 0 0 "[ . 1 . 2]" 1
15 1 14 HIS H 1 14 HIS HB2 . . 3.510 2.584 2.383 2.679 . 0 0 "[ . 1 . 2]" 1
16 1 13 VAL MG1 1 14 HIS H . . 3.460 3.027 2.838 3.182 . 0 0 "[ . 1 . 2]" 1
17 1 85 THR H 1 86 LYS H . . 3.190 2.726 2.341 2.945 . 0 0 "[ . 1 . 2]" 1
18 1 83 ARG HA 1 86 LYS H . . 4.150 3.633 3.308 3.819 . 0 0 "[ . 1 . 2]" 1
19 1 86 LYS H 1 86 LYS HB3 . . 3.230 2.692 2.498 2.858 . 0 0 "[ . 1 . 2]" 1
20 1 86 LYS H 1 86 LYS HB2 . . 3.230 2.408 2.312 2.544 . 0 0 "[ . 1 . 2]" 1
21 1 64 ALA HA 1 70 LEU H . . 3.620 2.248 1.899 2.734 . 0 0 "[ . 1 . 2]" 1
22 1 70 LEU H 1 70 LEU HG . . 3.790 2.932 2.488 3.352 . 0 0 "[ . 1 . 2]" 1
23 1 70 LEU H 1 70 LEU HB2 . . 3.730 2.434 2.281 2.784 . 0 0 "[ . 1 . 2]" 1
24 1 62 LEU H 1 62 LEU HB3 . . 3.710 2.406 2.238 2.573 . 0 0 "[ . 1 . 2]" 1
25 1 62 LEU H 1 62 LEU HB2 . . 3.710 2.772 2.577 2.925 . 0 0 "[ . 1 . 2]" 1
26 1 13 VAL H 1 93 LEU H . . 3.800 3.456 3.161 3.633 . 0 0 "[ . 1 . 2]" 1
27 1 12 GLU HA 1 13 VAL H . . 2.890 2.150 2.138 2.184 . 0 0 "[ . 1 . 2]" 1
28 1 13 VAL H 1 13 VAL HB . . 3.370 2.689 2.559 2.841 . 0 0 "[ . 1 . 2]" 1
29 1 13 VAL H 1 13 VAL MG2 . . 3.460 2.644 2.480 2.808 . 0 0 "[ . 1 . 2]" 1
30 1 13 VAL H 1 92 THR HA . . 4.400 4.300 4.068 4.405 0.005 20 0 "[ . 1 . 2]" 1
31 1 75 LEU H 1 76 ALA H . . 3.960 2.986 2.715 3.103 . 0 0 "[ . 1 . 2]" 1
32 1 74 PRO HA 1 75 LEU H . . 3.180 2.248 2.185 2.426 . 0 0 "[ . 1 . 2]" 1
33 1 75 LEU H 1 75 LEU HB3 . . 3.610 2.509 2.242 2.730 . 0 0 "[ . 1 . 2]" 1
34 1 14 HIS HA 1 15 LEU H . . 2.940 2.224 2.167 2.278 . 0 0 "[ . 1 . 2]" 1
35 1 15 LEU H 1 15 LEU HG . . 3.370 2.822 2.630 3.090 . 0 0 "[ . 1 . 2]" 1
36 1 18 ARG HA 1 19 ARG H . . 2.990 2.189 2.145 2.303 . 0 0 "[ . 1 . 2]" 1
37 1 19 ARG H 1 19 ARG HB3 . . 3.780 2.778 2.508 2.978 . 0 0 "[ . 1 . 2]" 1
38 1 97 HIS HA 1 98 CYS H . . 3.220 2.248 2.142 2.518 . 0 0 "[ . 1 . 2]" 1
39 1 98 CYS H 1 98 CYS HB3 . . 4.110 3.040 2.356 3.795 . 0 0 "[ . 1 . 2]" 1
40 1 80 ALA HA 1 83 ARG H . . 3.940 3.703 3.488 3.850 . 0 0 "[ . 1 . 2]" 1
41 1 82 VAL HB 1 83 ARG H . . 4.210 4.029 3.921 4.132 . 0 0 "[ . 1 . 2]" 1
42 1 83 ARG H 1 83 ARG HB3 . . 3.750 3.293 2.324 3.599 . 0 0 "[ . 1 . 2]" 1
43 1 83 ARG H 1 83 ARG HG3 . . 4.220 3.403 2.753 4.043 . 0 0 "[ . 1 . 2]" 1
44 1 48 GLY HA3 1 51 GLU H . . 4.340 3.309 3.201 3.543 . 0 0 "[ . 1 . 2]" 1
45 1 51 GLU H 1 51 GLU HB3 . . 3.600 2.485 2.359 2.597 . 0 0 "[ . 1 . 2]" 1
46 1 51 GLU H 1 51 GLU HB2 . . 3.580 2.643 2.517 2.788 . 0 0 "[ . 1 . 2]" 1
47 1 15 LEU MD2 1 51 GLU H . . 5.500 4.722 4.441 5.001 . 0 0 "[ . 1 . 2]" 1
48 1 45 LEU H 1 45 LEU HB3 . . 3.400 2.659 2.530 2.765 . 0 0 "[ . 1 . 2]" 1
49 1 45 LEU H 1 45 LEU HB2 . . 3.400 2.566 2.422 2.709 . 0 0 "[ . 1 . 2]" 1
50 1 44 LEU MD2 1 45 LEU H . . 4.080 3.185 2.995 3.432 . 0 0 "[ . 1 . 2]" 1
51 1 100 PRO HA 1 101 VAL H . . 2.900 2.223 2.151 2.466 . 0 0 "[ . 1 . 2]" 1
52 1 101 VAL H 1 101 VAL HB . . 3.850 3.252 2.392 3.841 . 0 0 "[ . 1 . 2]" 1
53 1 101 VAL H 1 101 VAL MG1 . . 4.260 2.829 1.933 3.875 . 0 0 "[ . 1 . 2]" 1
54 1 15 LEU H 1 91 VAL H . . 3.790 2.638 2.376 2.892 . 0 0 "[ . 1 . 2]" 1
55 1 90 SER HA 1 91 VAL H . . 2.820 2.224 2.141 2.371 . 0 0 "[ . 1 . 2]" 1
56 1 58 ILE H 1 58 ILE MD . . 3.630 2.514 1.802 3.416 . 0 0 "[ . 1 . 2]" 1
57 1 44 LEU MD1 1 58 ILE H . . 3.910 2.955 2.162 3.795 . 0 0 "[ . 1 . 2]" 1
58 1 10 CYS HA 1 11 ARG H . . 2.970 2.421 2.196 2.655 . 0 0 "[ . 1 . 2]" 1
59 1 11 ARG H 1 11 ARG HB3 . . 3.920 2.810 2.370 3.058 . 0 0 "[ . 1 . 2]" 1
60 1 79 GLN H 1 80 ALA H . . 3.490 2.612 2.461 2.729 . 0 0 "[ . 1 . 2]" 1
61 1 79 GLN HB2 1 80 ALA H . . 3.650 2.921 2.672 3.220 . 0 0 "[ . 1 . 2]" 1
62 1 43 ASN HA 1 44 LEU H . . 2.990 2.343 2.252 2.401 . 0 0 "[ . 1 . 2]" 1
63 1 44 LEU H 1 58 ILE MD . . 3.920 2.541 1.904 3.007 . 0 0 "[ . 1 . 2]" 1
64 1 26 ALA HA 1 27 LEU H . . 2.920 2.153 2.144 2.159 . 0 0 "[ . 1 . 2]" 1
65 1 27 LEU H 1 27 LEU HB2 . . 3.540 2.660 2.542 2.758 . 0 0 "[ . 1 . 2]" 1
66 1 27 LEU H 1 27 LEU MD1 . . 4.120 3.411 3.310 3.525 . 0 0 "[ . 1 . 2]" 1
67 1 95 ILE HB 1 96 VAL H . . 3.240 2.267 2.024 2.629 . 0 0 "[ . 1 . 2]" 1
68 1 95 ILE HA 1 96 VAL H . . 3.170 2.475 2.313 2.607 . 0 0 "[ . 1 . 2]" 1
69 1 41 ILE H 1 41 ILE HB . . 3.380 2.536 2.452 2.601 . 0 0 "[ . 1 . 2]" 1
70 1 41 ILE H 1 41 ILE HG12 . . 3.840 3.514 3.349 3.840 . 0 0 "[ . 1 . 2]" 1
71 1 41 ILE H 1 41 ILE HG13 . . 3.840 2.141 1.988 2.390 . 0 0 "[ . 1 . 2]" 1
72 1 40 VAL MG1 1 41 ILE H . . 3.490 2.412 2.084 2.795 . 0 0 "[ . 1 . 2]" 1
73 1 95 ILE MD 1 96 VAL H . . 3.850 2.868 2.435 3.690 . 0 0 "[ . 1 . 2]" 1
74 1 12 GLU H 1 12 GLU HB2 . . 3.500 2.544 2.185 3.159 . 0 0 "[ . 1 . 2]" 1
75 1 12 GLU H 1 12 GLU HB3 . . 3.500 2.852 2.404 3.505 0.005 11 0 "[ . 1 . 2]" 1
76 1 16 GLU H 1 16 GLU HG3 . . 4.330 3.677 3.122 4.324 . 0 0 "[ . 1 . 2]" 1
77 1 16 GLU H 1 16 GLU HB3 . . 3.780 3.726 3.615 3.793 0.013 18 0 "[ . 1 . 2]" 1
78 1 16 GLU H 1 16 GLU HB2 . . 3.360 2.579 2.441 2.666 . 0 0 "[ . 1 . 2]" 1
79 1 15 LEU HB3 1 16 GLU H . . 3.840 2.499 2.350 2.735 . 0 0 "[ . 1 . 2]" 1
80 1 15 LEU HB2 1 16 GLU H . . 3.870 3.498 3.241 3.694 . 0 0 "[ . 1 . 2]" 1
81 1 70 LEU H 1 71 VAL H . . 3.100 2.196 1.815 2.470 . 0 0 "[ . 1 . 2]" 1
82 1 69 SER HA 1 71 VAL H . . 4.070 3.464 3.324 3.714 . 0 0 "[ . 1 . 2]" 1
83 1 71 VAL H 1 71 VAL HB . . 3.040 2.574 2.359 2.764 . 0 0 "[ . 1 . 2]" 1
84 1 71 VAL H 1 71 VAL MG1 . . 3.940 2.627 1.944 3.783 . 0 0 "[ . 1 . 2]" 1
85 1 71 VAL H 1 71 VAL MG2 . . 3.940 3.328 1.974 3.804 . 0 0 "[ . 1 . 2]" 1
86 1 63 THR H 1 64 ALA H . . 3.050 2.006 1.922 2.128 . 0 0 "[ . 1 . 2]" 1
87 1 64 ALA H 1 94 SER H . . 3.670 3.363 3.172 3.556 . 0 0 "[ . 1 . 2]" 1
88 1 64 ALA H 1 64 ALA MB . . 3.570 2.773 2.501 2.887 . 0 0 "[ . 1 . 2]" 1
89 1 62 LEU HA 1 64 ALA H . . 4.130 3.946 3.711 4.130 0.000 14 0 "[ . 1 . 2]" 1
90 1 64 ALA H 1 94 SER HB3 . . 4.060 3.564 2.462 4.053 . 0 0 "[ . 1 . 2]" 1
91 1 66 ASN H 1 92 THR H . . 4.020 3.372 2.878 3.910 . 0 0 "[ . 1 . 2]" 1
92 1 28 VAL HA 1 29 GLU H . . 3.070 2.574 2.440 2.645 . 0 0 "[ . 1 . 2]" 1
93 1 28 VAL HB 1 29 GLU H . . 3.170 2.027 1.914 2.309 . 0 0 "[ . 1 . 2]" 1
94 1 29 GLU H 1 29 GLU HB2 . . 3.700 2.709 2.216 3.641 . 0 0 "[ . 1 . 2]" 1
95 1 28 VAL MG1 1 29 GLU H . . 3.560 3.288 3.106 3.494 . 0 0 "[ . 1 . 2]" 1
96 1 23 LEU H 1 24 GLY H . . 4.110 2.909 2.758 2.985 . 0 0 "[ . 1 . 2]" 1
97 1 22 GLY HA2 1 23 LEU H . . 3.230 2.145 2.139 2.170 . 0 0 "[ . 1 . 2]" 1
98 1 22 GLY HA3 1 23 LEU H . . 3.460 3.286 3.187 3.387 . 0 0 "[ . 1 . 2]" 1
99 1 23 LEU H 1 23 LEU HB2 . . 3.280 2.159 2.145 2.175 . 0 0 "[ . 1 . 2]" 1
100 1 23 LEU H 1 23 LEU HB3 . . 3.540 2.994 2.905 3.052 . 0 0 "[ . 1 . 2]" 1
101 1 68 THR HA 1 69 SER H . . 3.050 2.215 2.158 2.348 . 0 0 "[ . 1 . 2]" 1
102 1 69 SER H 1 69 SER HB2 . . 3.700 2.979 2.191 3.599 . 0 0 "[ . 1 . 2]" 1
103 1 20 GLY H 1 21 GLU H . . 3.280 2.424 2.274 2.636 . 0 0 "[ . 1 . 2]" 1
104 1 19 ARG HA 1 21 GLU H . . 3.950 3.732 3.500 3.864 . 0 0 "[ . 1 . 2]" 1
105 1 21 GLU H 1 21 GLU HB3 . . 3.330 2.524 2.410 2.591 . 0 0 "[ . 1 . 2]" 1
106 1 21 GLU H 1 21 GLU HB2 . . 3.470 3.039 2.849 3.180 . 0 0 "[ . 1 . 2]" 1
107 1 72 GLY H 1 73 LEU H . . 3.370 2.365 1.822 2.905 . 0 0 "[ . 1 . 2]" 1
108 1 71 VAL HA 1 73 LEU H . . 4.260 3.772 3.216 4.097 . 0 0 "[ . 1 . 2]" 1
109 1 73 LEU H 1 73 LEU HB2 . . 3.090 2.502 2.253 2.787 . 0 0 "[ . 1 . 2]" 1
110 1 73 LEU H 1 73 LEU HG . . 3.630 3.210 2.473 3.622 . 0 0 "[ . 1 . 2]" 1
111 1 60 ASP H 1 60 ASP HB2 . . 3.610 2.612 2.310 2.956 . 0 0 "[ . 1 . 2]" 1
112 1 60 ASP H 1 60 ASP HB3 . . 4.020 3.594 3.524 3.626 . 0 0 "[ . 1 . 2]" 1
113 1 55 ALA H 1 56 LEU MD1 . . 4.620 4.485 4.165 4.614 . 0 0 "[ . 1 . 2]" 1
114 1 53 SER HG 1 55 ALA H . . 3.600 3.241 2.618 3.540 . 0 0 "[ . 1 . 2]" 1
115 1 53 SER HB2 1 55 ALA H . . 4.100 3.148 2.949 3.308 . 0 0 "[ . 1 . 2]" 1
116 1 55 ALA H 1 55 ALA MB . . 3.030 2.221 2.048 2.389 . 0 0 "[ . 1 . 2]" 1
117 1 80 ALA H 1 81 ALA H . . 3.290 2.442 2.264 2.623 . 0 0 "[ . 1 . 2]" 1
118 1 78 CYS HA 1 81 ALA H . . 3.750 3.362 3.166 3.544 . 0 0 "[ . 1 . 2]" 1
119 1 80 ALA MB 1 81 ALA H . . 3.160 2.709 2.491 3.001 . 0 0 "[ . 1 . 2]" 1
120 1 81 ALA H 1 81 ALA MB . . 2.870 2.166 2.035 2.269 . 0 0 "[ . 1 . 2]" 1
121 1 40 VAL H 1 40 VAL HB . . 3.590 2.768 2.621 2.958 . 0 0 "[ . 1 . 2]" 1
122 1 78 CYS H 1 78 CYS HG . . 3.180 2.297 1.985 2.842 . 0 0 "[ . 1 . 2]" 1
123 1 78 CYS H 1 79 GLN H . . 3.330 2.685 2.600 2.842 . 0 0 "[ . 1 . 2]" 1
124 1 78 CYS H 1 78 CYS HB2 . . 3.440 2.551 2.388 2.677 . 0 0 "[ . 1 . 2]" 1
125 1 78 CYS H 1 78 CYS HB3 . . 3.800 3.588 3.576 3.594 . 0 0 "[ . 1 . 2]" 1
126 1 94 SER HA 1 95 ILE H . . 3.010 2.148 2.138 2.165 . 0 0 "[ . 1 . 2]" 1
127 1 95 ILE H 1 95 ILE HB . . 4.050 3.840 3.753 3.915 . 0 0 "[ . 1 . 2]" 1
128 1 67 GLY H 1 68 THR H . . 3.690 2.527 2.355 2.726 . 0 0 "[ . 1 . 2]" 1
129 1 68 THR H 1 68 THR HB . . 3.010 2.613 2.300 2.895 . 0 0 "[ . 1 . 2]" 1
130 1 68 THR H 1 68 THR MG . . 3.980 3.746 2.583 3.943 . 0 0 "[ . 1 . 2]" 1
131 1 35 LEU H 1 36 LEU H . . 4.690 3.610 1.877 4.648 . 0 0 "[ . 1 . 2]" 1
132 1 35 LEU MD1 1 36 LEU H . . 5.440 4.132 1.828 4.990 . 0 0 "[ . 1 . 2]" 1
133 1 35 LEU MD2 1 36 LEU H . . 5.440 3.828 2.416 4.830 . 0 0 "[ . 1 . 2]" 1
134 1 76 ALA H 1 77 ALA H . . 3.580 3.006 2.881 3.092 . 0 0 "[ . 1 . 2]" 1
135 1 77 ALA H 1 78 CYS H . . 3.030 2.910 2.808 3.014 . 0 0 "[ . 1 . 2]" 1
136 1 77 ALA H 1 78 CYS HG . . 5.500 4.528 4.168 5.229 . 0 0 "[ . 1 . 2]" 1
137 1 74 PRO HB2 1 77 ALA H . . 3.570 3.433 3.348 3.506 . 0 0 "[ . 1 . 2]" 1
138 1 77 ALA H 1 77 ALA MB . . 2.960 2.038 2.026 2.057 . 0 0 "[ . 1 . 2]" 1
139 1 76 ALA MB 1 77 ALA H . . 3.390 2.434 2.232 2.582 . 0 0 "[ . 1 . 2]" 1
140 1 60 ASP HB3 1 61 ARG H . . 4.040 3.148 2.795 3.463 . 0 0 "[ . 1 . 2]" 1
141 1 61 ARG H 1 61 ARG HB3 . . 3.700 2.448 2.280 2.568 . 0 0 "[ . 1 . 2]" 1
142 1 88 GLN H 1 88 GLN HG3 . . 3.750 3.373 2.370 3.760 0.010 12 0 "[ . 1 . 2]" 1
143 1 88 GLN H 1 88 GLN HG2 . . 3.750 2.627 1.925 3.818 0.068 19 0 "[ . 1 . 2]" 1
144 1 87 SER H 1 88 GLN H . . 3.740 2.648 2.374 2.831 . 0 0 "[ . 1 . 2]" 1
145 1 16 GLU HA 1 17 LYS H . . 2.800 2.156 2.138 2.162 . 0 0 "[ . 1 . 2]" 1
146 1 17 LYS H 1 89 THR HA . . 3.920 3.324 2.830 3.535 . 0 0 "[ . 1 . 2]" 1
147 1 17 LYS H 1 89 THR HB . . 4.300 3.706 3.423 3.958 . 0 0 "[ . 1 . 2]" 1
148 1 16 GLU HB3 1 17 LYS H . . 3.760 3.719 3.476 3.772 0.012 7 0 "[ . 1 . 2]" 1
149 1 17 LYS H 1 17 LYS HG3 . . 3.890 3.484 3.253 3.616 . 0 0 "[ . 1 . 2]" 1
150 1 17 LYS H 1 17 LYS HG2 . . 3.890 2.593 2.505 2.647 . 0 0 "[ . 1 . 2]" 1
151 1 10 CYS H 1 10 CYS HB3 . . 4.110 3.232 2.614 3.839 . 0 0 "[ . 1 . 2]" 1
152 1 93 LEU HA 1 94 SER H . . 2.960 2.207 2.148 2.331 . 0 0 "[ . 1 . 2]" 1
153 1 94 SER H 1 94 SER HB2 . . 4.000 2.760 2.368 3.819 . 0 0 "[ . 1 . 2]" 1
154 1 94 SER H 1 94 SER HB3 . . 4.000 3.366 2.764 3.772 . 0 0 "[ . 1 . 2]" 1
155 1 93 LEU HB3 1 94 SER H . . 4.130 2.999 2.601 3.301 . 0 0 "[ . 1 . 2]" 1
156 1 74 PRO HB2 1 76 ALA H . . 4.030 2.762 2.530 2.898 . 0 0 "[ . 1 . 2]" 1
157 1 75 LEU HB2 1 76 ALA H . . 4.050 3.883 3.710 4.046 . 0 0 "[ . 1 . 2]" 1
158 1 75 LEU HB3 1 76 ALA H . . 4.050 2.515 2.358 2.745 . 0 0 "[ . 1 . 2]" 1
159 1 76 ALA H 1 76 ALA MB . . 2.930 2.145 2.044 2.249 . 0 0 "[ . 1 . 2]" 1
160 1 84 GLU H 1 84 GLU HG2 . . 3.940 3.085 2.440 3.940 . 0 0 "[ . 1 . 2]" 1
161 1 84 GLU H 1 84 GLU HB2 . . 3.590 2.594 2.197 3.573 . 0 0 "[ . 1 . 2]" 1
162 1 56 LEU H 1 56 LEU HG . . 3.240 2.221 1.953 2.745 . 0 0 "[ . 1 . 2]" 1
163 1 56 LEU H 1 56 LEU HB3 . . 3.840 3.664 3.588 3.852 0.012 19 0 "[ . 1 . 2]" 1
164 1 56 LEU H 1 56 LEU MD1 . . 3.830 3.316 3.117 3.759 . 0 0 "[ . 1 . 2]" 1
165 1 18 ARG H 1 21 GLU HB3 . . 4.000 2.340 2.192 2.580 . 0 0 "[ . 1 . 2]" 1
166 1 17 LYS HB3 1 18 ARG H . . 3.980 3.811 3.768 3.872 . 0 0 "[ . 1 . 2]" 1
167 1 18 ARG H 1 18 ARG HB3 . . 3.910 3.609 3.516 3.704 . 0 0 "[ . 1 . 2]" 1
168 1 18 ARG H 1 18 ARG HB2 . . 3.910 2.395 2.275 2.602 . 0 0 "[ . 1 . 2]" 1
169 1 17 LYS HB2 1 18 ARG H . . 3.680 2.406 2.320 2.498 . 0 0 "[ . 1 . 2]" 1
170 1 76 ALA HA 1 79 GLN H . . 3.990 3.510 3.390 3.688 . 0 0 "[ . 1 . 2]" 1
171 1 78 CYS HB2 1 79 GLN H . . 3.710 2.663 2.435 2.924 . 0 0 "[ . 1 . 2]" 1
172 1 79 GLN H 1 79 GLN HG2 . . 4.490 3.598 2.488 4.121 . 0 0 "[ . 1 . 2]" 1
173 1 79 GLN H 1 79 GLN HG3 . . 4.490 3.105 2.745 4.107 . 0 0 "[ . 1 . 2]" 1
174 1 79 GLN H 1 79 GLN HB2 . . 3.270 2.225 2.177 2.343 . 0 0 "[ . 1 . 2]" 1
175 1 49 PRO HD3 1 50 ALA H . . 3.930 3.846 3.836 3.861 . 0 0 "[ . 1 . 2]" 1
176 1 49 PRO HB2 1 50 ALA H . . 3.550 3.418 3.210 3.536 . 0 0 "[ . 1 . 2]" 1
177 1 50 ALA H 1 51 GLU H . . 3.500 2.301 2.212 2.415 . 0 0 "[ . 1 . 2]" 1
178 1 49 PRO HD2 1 50 ALA H . . 3.830 2.659 2.647 2.683 . 0 0 "[ . 1 . 2]" 1
179 1 50 ALA H 1 50 ALA MB . . 2.910 2.244 2.112 2.311 . 0 0 "[ . 1 . 2]" 1
180 1 15 LEU MD2 1 50 ALA H . . 4.550 4.359 4.201 4.554 0.004 14 0 "[ . 1 . 2]" 1
181 1 59 GLY H 1 60 ASP H . . 3.860 3.040 2.837 3.332 . 0 0 "[ . 1 . 2]" 1
182 1 41 ILE HB 1 59 GLY H . . 3.960 2.059 1.908 2.247 . 0 0 "[ . 1 . 2]" 1
183 1 40 VAL MG1 1 59 GLY H . . 4.070 3.238 2.979 3.537 . 0 0 "[ . 1 . 2]" 1
184 1 56 LEU HB3 1 57 SER H . . 3.810 3.528 2.926 3.724 . 0 0 "[ . 1 . 2]" 1
185 1 41 ILE MD 1 57 SER H . . 3.980 3.604 3.097 3.963 . 0 0 "[ . 1 . 2]" 1
186 1 65 ILE H 1 68 THR H . . 3.000 2.655 2.090 3.000 . 0 0 "[ . 1 . 2]" 1
187 1 64 ALA HA 1 65 ILE H . . 2.890 2.460 2.316 2.581 . 0 0 "[ . 1 . 2]" 1
188 1 65 ILE H 1 65 ILE HB . . 3.400 2.717 2.564 2.864 . 0 0 "[ . 1 . 2]" 1
189 1 65 ILE H 1 65 ILE MG . . 4.060 3.832 3.744 3.902 . 0 0 "[ . 1 . 2]" 1
190 1 65 ILE H 1 70 LEU MD1 . . 4.050 3.685 3.032 4.049 . 0 0 "[ . 1 . 2]" 1
191 1 79 GLN HA 1 82 VAL H . . 3.960 3.820 3.553 3.960 . 0 0 "[ . 1 . 2]" 1
192 1 82 VAL H 1 83 ARG H . . 3.310 2.642 2.388 2.829 . 0 0 "[ . 1 . 2]" 1
193 1 82 VAL H 1 82 VAL HB . . 3.030 2.473 2.361 2.664 . 0 0 "[ . 1 . 2]" 1
194 1 81 ALA MB 1 82 VAL H . . 3.470 2.519 2.211 2.898 . 0 0 "[ . 1 . 2]" 1
195 1 82 VAL H 1 82 VAL MG1 . . 3.090 2.259 1.882 2.508 . 0 0 "[ . 1 . 2]" 1
196 1 51 GLU H 1 52 ARG H . . 3.540 2.481 2.268 2.656 . 0 0 "[ . 1 . 2]" 1
197 1 51 GLU HB3 1 52 ARG H . . 3.560 2.609 2.376 2.847 . 0 0 "[ . 1 . 2]" 1
198 1 52 ARG H 1 52 ARG HB3 . . 3.300 2.413 2.314 2.500 . 0 0 "[ . 1 . 2]" 1
199 1 52 ARG H 1 52 ARG HG2 . . 3.750 2.480 2.297 2.719 . 0 0 "[ . 1 . 2]" 1
200 1 88 GLN HB2 1 90 SER H . . 4.220 2.940 2.340 3.751 . 0 0 "[ . 1 . 2]" 1
201 1 46 HIS HA 1 47 GLY H . . 2.990 2.236 2.157 2.297 . 0 0 "[ . 1 . 2]" 1
202 1 47 GLY H 1 51 GLU HB3 . . 4.150 2.357 2.197 2.565 . 0 0 "[ . 1 . 2]" 1
203 1 71 VAL MG2 1 72 GLY H . . 4.200 3.179 1.929 4.201 0.001 4 0 "[ . 1 . 2]" 1
204 1 71 VAL HA 1 72 GLY H . . 3.010 2.179 2.146 2.378 . 0 0 "[ . 1 . 2]" 1
205 1 27 LEU HA 1 28 VAL H . . 3.010 2.447 2.344 2.507 . 0 0 "[ . 1 . 2]" 1
206 1 28 VAL H 1 40 VAL H . . 3.570 2.949 2.633 3.285 . 0 0 "[ . 1 . 2]" 1
207 1 27 LEU HB3 1 28 VAL H . . 3.640 2.388 2.219 2.621 . 0 0 "[ . 1 . 2]" 1
208 1 28 VAL H 1 28 VAL MG2 . . 3.300 2.183 1.952 2.408 . 0 0 "[ . 1 . 2]" 1
209 1 24 GLY H 1 25 VAL H . . 3.380 2.759 2.536 2.915 . 0 0 "[ . 1 . 2]" 1
210 1 25 VAL H 1 25 VAL HB . . 3.970 3.838 3.756 3.880 . 0 0 "[ . 1 . 2]" 1
211 1 23 LEU HB3 1 25 VAL H . . 4.120 3.400 3.150 3.553 . 0 0 "[ . 1 . 2]" 1
212 1 25 VAL H 1 25 VAL MG2 . . 3.430 2.254 2.002 2.389 . 0 0 "[ . 1 . 2]" 1
213 1 62 LEU HA 1 63 THR H . . 3.180 2.213 2.171 2.281 . 0 0 "[ . 1 . 2]" 1
214 1 63 THR H 1 95 ILE HA . . 3.900 3.383 3.100 3.536 . 0 0 "[ . 1 . 2]" 1
215 1 37 PRO HA 1 38 THR H . . 3.100 2.349 2.182 2.530 . 0 0 "[ . 1 . 2]" 1
216 1 21 GLU HA 1 22 GLY H . . 3.440 2.150 2.142 2.166 . 0 0 "[ . 1 . 2]" 1
217 1 52 ARG H 1 53 SER H . . 3.460 2.821 2.651 2.944 . 0 0 "[ . 1 . 2]" 1
218 1 53 SER H 1 53 SER HG . . 3.240 2.534 2.182 2.954 . 0 0 "[ . 1 . 2]" 1
219 1 53 SER H 1 53 SER HB3 . . 3.680 2.319 2.211 2.453 . 0 0 "[ . 1 . 2]" 1
220 1 26 ALA H 1 43 ASN H . . 3.560 3.419 3.343 3.531 . 0 0 "[ . 1 . 2]" 1
221 1 28 VAL MG1 1 43 ASN H . . 5.350 4.658 4.461 4.934 . 0 0 "[ . 1 . 2]" 1
222 1 28 VAL MG2 1 43 ASN H . . 5.500 4.750 4.386 5.070 . 0 0 "[ . 1 . 2]" 1
223 1 54 GLY H 1 55 ALA H . . 3.420 2.871 2.495 3.041 . 0 0 "[ . 1 . 2]" 1
224 1 53 SER HG 1 54 GLY H . . 3.840 2.253 1.958 2.728 . 0 0 "[ . 1 . 2]" 1
225 1 88 GLN HB2 1 89 THR H . . 4.340 3.456 2.663 4.345 0.005 16 0 "[ . 1 . 2]" 1
226 1 89 THR H 1 89 THR MG . . 3.720 2.782 2.251 3.112 . 0 0 "[ . 1 . 2]" 1
227 1 47 GLY H 1 48 GLY H . . 3.660 2.001 1.814 2.407 . 0 0 "[ . 1 . 2]" 1
228 1 48 GLY H 1 51 GLU HB3 . . 3.930 2.484 1.981 2.784 . 0 0 "[ . 1 . 2]" 1
229 1 84 GLU H 1 85 THR H . . 3.410 2.733 2.451 2.980 . 0 0 "[ . 1 . 2]" 1
230 1 84 GLU HB2 1 85 THR H . . 4.480 2.969 2.372 4.276 . 0 0 "[ . 1 . 2]" 1
231 1 85 THR H 1 85 THR MG . . 3.100 2.282 1.902 2.787 . 0 0 "[ . 1 . 2]" 1
232 1 20 GLY H 1 86 LYS HG2 . . 4.540 3.580 3.158 3.935 . 0 0 "[ . 1 . 2]" 1
233 1 20 GLY H 1 89 THR MG . . 5.180 4.319 4.003 4.833 . 0 0 "[ . 1 . 2]" 1
234 1 19 ARG HG2 1 20 GLY H . . 4.510 3.630 3.143 4.512 0.002 20 0 "[ . 1 . 2]" 1
235 1 19 ARG HG3 1 20 GLY H . . 4.510 3.306 2.712 3.630 . 0 0 "[ . 1 . 2]" 1
236 1 17 LYS QZ 1 20 GLY H . . 5.500 5.326 5.110 5.508 0.008 20 0 "[ . 1 . 2]" 1
237 1 20 GLY H 1 88 GLN H . . 5.500 4.905 4.042 5.341 . 0 0 "[ . 1 . 2]" 1
238 1 19 ARG H 1 20 GLY H . . 4.830 4.456 4.382 4.537 . 0 0 "[ . 1 . 2]" 1
239 1 20 GLY H 1 86 LYS HA . . 4.660 4.576 4.215 4.670 0.010 16 0 "[ . 1 . 2]" 1
240 1 21 GLU H 1 22 GLY H . . 4.550 4.301 4.170 4.482 . 0 0 "[ . 1 . 2]" 1
241 1 18 ARG H 1 21 GLU H . . 4.710 4.384 4.208 4.611 . 0 0 "[ . 1 . 2]" 1
242 1 21 GLU H 1 21 GLU HG3 . . 4.780 4.458 4.302 4.650 . 0 0 "[ . 1 . 2]" 1
243 1 21 GLU H 1 86 LYS HG2 . . 4.560 3.162 2.758 3.448 . 0 0 "[ . 1 . 2]" 1
244 1 21 GLU HB2 1 22 GLY H . . 5.050 4.289 4.137 4.432 . 0 0 "[ . 1 . 2]" 1
245 1 23 LEU H 1 23 LEU MD1 . . 4.610 4.201 4.140 4.273 . 0 0 "[ . 1 . 2]" 1
246 1 23 LEU H 1 25 VAL H . . 5.310 5.205 4.980 5.306 . 0 0 "[ . 1 . 2]" 1
247 1 24 GLY H 1 25 VAL MG2 . . 4.900 3.507 3.350 3.709 . 0 0 "[ . 1 . 2]" 1
248 1 23 LEU MD2 1 24 GLY H . . 4.900 3.770 3.569 3.943 . 0 0 "[ . 1 . 2]" 1
249 1 23 LEU HB3 1 24 GLY H . . 4.270 2.786 2.612 2.946 . 0 0 "[ . 1 . 2]" 1
250 1 23 LEU HB2 1 24 GLY H . . 4.400 3.675 3.594 3.744 . 0 0 "[ . 1 . 2]" 1
251 1 25 VAL H 1 26 ALA H . . 4.500 4.205 3.997 4.401 . 0 0 "[ . 1 . 2]" 1
252 1 23 LEU MD2 1 25 VAL H . . 4.960 3.953 3.703 4.333 . 0 0 "[ . 1 . 2]" 1
253 1 26 ALA H 1 27 LEU H . . 4.980 4.212 4.030 4.293 . 0 0 "[ . 1 . 2]" 1
254 1 26 ALA H 1 42 ALA H . . 4.910 4.733 4.541 4.912 0.002 13 0 "[ . 1 . 2]" 1
255 1 28 VAL H 1 41 ILE HA . . 4.620 3.991 3.641 4.374 . 0 0 "[ . 1 . 2]" 1
256 1 28 VAL H 1 42 ALA H . . 4.360 3.557 3.319 3.804 . 0 0 "[ . 1 . 2]" 1
257 1 28 VAL H 1 28 VAL HB . . 4.180 3.842 3.740 3.949 . 0 0 "[ . 1 . 2]" 1
258 1 27 LEU HB2 1 28 VAL H . . 4.170 3.345 3.167 3.527 . 0 0 "[ . 1 . 2]" 1
259 1 28 VAL H 1 40 VAL MG1 . . 4.950 4.789 4.416 4.915 . 0 0 "[ . 1 . 2]" 1
260 1 28 VAL H 1 29 GLU H . . 4.720 4.387 4.359 4.440 . 0 0 "[ . 1 . 2]" 1
261 1 28 VAL MG2 1 30 SER H . . 5.400 4.621 4.048 5.051 . 0 0 "[ . 1 . 2]" 1
262 1 30 SER H 1 40 VAL H . . 4.910 4.475 3.890 4.906 . 0 0 "[ . 1 . 2]" 1
263 1 30 SER HB2 1 31 GLY H . . 5.500 3.821 2.439 4.542 . 0 0 "[ . 1 . 2]" 1
264 1 30 SER HB3 1 31 GLY H . . 5.500 3.165 2.041 4.001 . 0 0 "[ . 1 . 2]" 1
265 1 38 THR H 1 39 ALA MB . . 5.500 5.463 5.359 5.514 0.014 5 0 "[ . 1 . 2]" 1
266 1 37 PRO HB2 1 38 THR H . . 4.400 2.774 2.305 3.321 . 0 0 "[ . 1 . 2]" 1
267 1 37 PRO HB3 1 38 THR H . . 4.400 3.546 3.305 3.860 . 0 0 "[ . 1 . 2]" 1
268 1 30 SER H 1 38 THR H . . 4.230 3.301 2.670 3.974 . 0 0 "[ . 1 . 2]" 1
269 1 38 THR H 1 39 ALA H . . 5.010 4.440 4.384 4.506 . 0 0 "[ . 1 . 2]" 1
270 1 38 THR HA 1 39 ALA H . . 3.490 2.330 2.216 2.386 . 0 0 "[ . 1 . 2]" 1
271 1 39 ALA H 1 40 VAL H . . 5.270 4.427 4.248 4.551 . 0 0 "[ . 1 . 2]" 1
272 1 40 VAL H 1 62 LEU H . . 5.500 4.818 4.515 5.162 . 0 0 "[ . 1 . 2]" 1
273 1 27 LEU HB3 1 40 VAL H . . 4.670 3.606 3.181 3.999 . 0 0 "[ . 1 . 2]" 1
274 1 41 ILE H 1 42 ALA H . . 4.810 4.359 4.274 4.530 . 0 0 "[ . 1 . 2]" 1
275 1 41 ILE H 1 59 GLY H . . 4.530 3.256 2.997 3.532 . 0 0 "[ . 1 . 2]" 1
276 1 28 VAL MG2 1 42 ALA H . . 4.470 2.889 2.474 3.294 . 0 0 "[ . 1 . 2]" 1
277 1 41 ILE HA 1 43 ASN H . . 4.120 3.816 3.655 4.053 . 0 0 "[ . 1 . 2]" 1
278 1 27 LEU HA 1 43 ASN H . . 4.650 4.066 3.957 4.145 . 0 0 "[ . 1 . 2]" 1
279 1 42 ALA H 1 43 ASN H . . 3.100 2.561 2.223 2.682 . 0 0 "[ . 1 . 2]" 1
280 1 43 ASN HB3 1 44 LEU H . . 4.430 3.230 2.453 3.933 . 0 0 "[ . 1 . 2]" 1
281 1 43 ASN HB2 1 44 LEU H . . 4.430 3.913 3.556 4.126 . 0 0 "[ . 1 . 2]" 1
282 1 44 LEU H 1 44 LEU MD1 . . 4.600 4.342 4.238 4.443 . 0 0 "[ . 1 . 2]" 1
283 1 44 LEU H 1 44 LEU MD2 . . 4.820 3.837 3.675 3.897 . 0 0 "[ . 1 . 2]" 1
284 1 44 LEU H 1 44 LEU HB3 . . 4.190 3.796 3.669 3.844 . 0 0 "[ . 1 . 2]" 1
285 1 44 LEU H 1 44 LEU HB2 . . 3.620 2.676 2.476 2.754 . 0 0 "[ . 1 . 2]" 1
286 1 44 LEU H 1 44 LEU HG . . 4.040 3.303 3.184 3.439 . 0 0 "[ . 1 . 2]" 1
287 1 44 LEU H 1 45 LEU H . . 4.650 4.405 4.231 4.459 . 0 0 "[ . 1 . 2]" 1
288 1 44 LEU HA 1 45 LEU H . . 2.980 2.282 2.144 2.340 . 0 0 "[ . 1 . 2]" 1
289 1 44 LEU HB2 1 45 LEU H . . 4.650 3.908 3.740 4.264 . 0 0 "[ . 1 . 2]" 1
290 1 44 LEU HB3 1 45 LEU H . . 4.240 2.752 2.566 3.340 . 0 0 "[ . 1 . 2]" 1
291 1 47 GLY H 1 51 GLU HB2 . . 4.700 3.742 3.323 4.038 . 0 0 "[ . 1 . 2]" 1
292 1 46 HIS HB3 1 47 GLY H . . 4.430 3.981 3.716 4.108 . 0 0 "[ . 1 . 2]" 1
293 1 46 HIS HB2 1 47 GLY H . . 4.630 4.577 4.488 4.611 . 0 0 "[ . 1 . 2]" 1
294 1 45 LEU HG 1 48 GLY H . . 5.500 5.368 5.130 5.500 . 3 0 "[ . 1 . 2]" 1
295 1 48 GLY H 1 51 GLU HB2 . . 4.520 3.699 3.328 3.992 . 0 0 "[ . 1 . 2]" 1
296 1 48 GLY H 1 52 ARG H . . 4.830 3.857 3.137 4.168 . 0 0 "[ . 1 . 2]" 1
297 1 48 GLY H 1 51 GLU H . . 4.850 3.905 3.276 4.153 . 0 0 "[ . 1 . 2]" 1
298 1 50 ALA H 1 52 ARG H . . 4.800 3.876 3.674 4.145 . 0 0 "[ . 1 . 2]" 1
299 1 49 PRO HG2 1 50 ALA H . . 4.130 2.480 2.222 2.638 . 0 0 "[ . 1 . 2]" 1
300 1 49 PRO HG3 1 50 ALA H . . 4.600 3.963 3.771 4.081 . 0 0 "[ . 1 . 2]" 1
301 1 15 LEU MD1 1 50 ALA H . . 4.470 3.667 3.522 3.912 . 0 0 "[ . 1 . 2]" 1
302 1 23 LEU MD2 1 50 ALA H . . 4.420 3.061 2.864 3.177 . 0 0 "[ . 1 . 2]" 1
303 1 52 ARG H 1 52 ARG HD2 . . 5.500 4.543 4.089 5.042 . 0 0 "[ . 1 . 2]" 1
304 1 52 ARG H 1 52 ARG HD3 . . 5.500 4.774 4.420 5.091 . 0 0 "[ . 1 . 2]" 1
305 1 48 GLY HA3 1 52 ARG H . . 4.730 4.199 4.027 4.365 . 0 0 "[ . 1 . 2]" 1
306 1 49 PRO HA 1 52 ARG H . . 4.280 3.983 3.784 4.195 . 0 0 "[ . 1 . 2]" 1
307 1 47 GLY H 1 52 ARG H . . 4.610 3.900 3.495 4.356 . 0 0 "[ . 1 . 2]" 1
308 1 52 ARG H 1 52 ARG HG3 . . 3.750 3.352 3.033 3.566 . 0 0 "[ . 1 . 2]" 1
309 1 15 LEU MD2 1 53 SER H . . 4.200 3.356 3.099 3.503 . 0 0 "[ . 1 . 2]" 1
310 1 52 ARG HB3 1 53 SER H . . 4.080 3.970 3.876 4.060 . 0 0 "[ . 1 . 2]" 1
311 1 53 SER H 1 55 ALA H . . 5.060 4.858 4.472 5.055 . 0 0 "[ . 1 . 2]" 1
312 1 15 LEU MD2 1 54 GLY H . . 5.500 5.003 4.750 5.203 . 0 0 "[ . 1 . 2]" 1
313 1 54 GLY H 1 56 LEU MD1 . . 5.500 4.544 4.217 5.012 . 0 0 "[ . 1 . 2]" 1
314 1 54 GLY H 1 55 ALA MB . . 4.780 4.575 4.368 4.673 . 0 0 "[ . 1 . 2]" 1
315 1 51 GLU HA 1 54 GLY H . . 4.730 3.625 3.388 3.933 . 0 0 "[ . 1 . 2]" 1
316 1 52 ARG H 1 54 GLY H . . 4.950 4.583 4.431 4.773 . 0 0 "[ . 1 . 2]" 1
317 1 54 GLY H 1 55 ALA HA . . 5.310 5.227 5.106 5.311 0.001 10 0 "[ . 1 . 2]" 1
318 1 54 GLY H 1 56 LEU H . . 4.190 3.381 3.030 3.733 . 0 0 "[ . 1 . 2]" 1
319 1 53 SER HA 1 55 ALA H . . 4.430 4.081 3.952 4.185 . 0 0 "[ . 1 . 2]" 1
320 1 55 ALA H 1 56 LEU HG . . 4.290 3.821 3.405 4.128 . 0 0 "[ . 1 . 2]" 1
321 1 55 ALA H 1 56 LEU H . . 3.010 2.378 2.082 2.639 . 0 0 "[ . 1 . 2]" 1
322 1 41 ILE H 1 60 ASP H . . 3.500 4.653 4.430 4.801 1.301 5 20 [****+*******-*******] 1
323 1 57 SER H 1 60 ASP HB2 . . 4.510 3.604 3.158 4.291 . 0 0 "[ . 1 . 2]" 1
324 1 56 LEU HB2 1 57 SER H . . 4.310 4.162 3.782 4.291 . 0 0 "[ . 1 . 2]" 1
325 1 58 ILE H 1 58 ILE HG12 . . 3.880 3.372 1.907 3.910 0.030 16 0 "[ . 1 . 2]" 1
326 1 58 ILE H 1 58 ILE HB . . 3.170 2.623 2.453 2.860 . 0 0 "[ . 1 . 2]" 1
327 1 60 ASP HB2 1 61 ARG H . . 4.450 4.113 3.630 4.398 . 0 0 "[ . 1 . 2]" 1
328 1 61 ARG H 1 95 ILE MG . . 4.560 3.573 2.930 4.121 . 0 0 "[ . 1 . 2]" 1
329 1 61 ARG H 1 61 ARG HB2 . . 3.700 3.137 2.693 3.651 . 0 0 "[ . 1 . 2]" 1
330 1 40 VAL MG2 1 62 LEU H . . 4.550 4.342 3.842 4.551 0.001 1 0 "[ . 1 . 2]" 1
331 1 61 ARG HA 1 62 LEU H . . 3.220 2.164 2.140 2.221 . 0 0 "[ . 1 . 2]" 1
332 1 63 THR HB 1 64 ALA H . . 4.690 3.941 3.712 4.273 . 0 0 "[ . 1 . 2]" 1
333 1 64 ALA H 1 65 ILE H . . 4.630 4.376 4.319 4.421 . 0 0 "[ . 1 . 2]" 1
334 1 62 LEU HG 1 64 ALA H . . 4.530 2.675 2.223 2.960 . 0 0 "[ . 1 . 2]" 1
335 1 64 ALA H 1 70 LEU HG . . 5.500 5.302 5.122 5.492 . 0 0 "[ . 1 . 2]" 1
336 1 62 LEU MD2 1 64 ALA H . . 4.270 2.497 2.184 3.094 . 0 0 "[ . 1 . 2]" 1
337 1 63 THR MG 1 64 ALA H . . 4.150 3.732 3.403 3.873 . 0 0 "[ . 1 . 2]" 1
338 1 65 ILE H 1 69 SER HA . . 4.800 4.252 3.706 4.781 . 0 0 "[ . 1 . 2]" 1
339 1 65 ILE H 1 68 THR HB . . 4.160 2.609 2.258 3.994 . 0 0 "[ . 1 . 2]" 1
340 1 65 ILE H 1 70 LEU H . . 4.850 4.235 3.549 4.786 . 0 0 "[ . 1 . 2]" 1
341 1 65 ILE H 1 66 ASN H . . 4.900 4.048 3.825 4.210 . 0 0 "[ . 1 . 2]" 1
342 1 66 ASN H 1 93 LEU HA . . 4.420 4.035 3.509 4.331 . 0 0 "[ . 1 . 2]" 1
343 1 65 ILE HG12 1 66 ASN H . . 5.110 4.439 4.075 4.788 . 0 0 "[ . 1 . 2]" 1
344 1 65 ILE HG13 1 66 ASN H . . 5.110 4.987 4.840 5.098 . 0 0 "[ . 1 . 2]" 1
345 1 64 ALA MB 1 67 GLY H . . 4.510 3.231 3.034 3.660 . 0 0 "[ . 1 . 2]" 1
346 1 66 ASN HB2 1 67 GLY H . . 5.010 4.232 4.033 4.565 . 0 0 "[ . 1 . 2]" 1
347 1 66 ASN HB3 1 67 GLY H . . 5.010 4.452 4.323 4.642 . 0 0 "[ . 1 . 2]" 1
348 1 66 ASN H 1 68 THR H . . 5.120 4.249 3.987 4.459 . 0 0 "[ . 1 . 2]" 1
349 1 68 THR MG 1 69 SER H . . 3.860 3.246 2.925 3.711 . 0 0 "[ . 1 . 2]" 1
350 1 70 LEU H 1 70 LEU MD1 . . 4.370 3.963 3.636 4.286 . 0 0 "[ . 1 . 2]" 1
351 1 69 SER HB3 1 70 LEU H . . 4.950 4.163 3.569 4.526 . 0 0 "[ . 1 . 2]" 1
352 1 70 LEU H 1 71 VAL HB . . 4.910 4.400 3.856 4.779 . 0 0 "[ . 1 . 2]" 1
353 1 71 VAL MG1 1 72 GLY H . . 4.200 3.718 2.623 4.210 0.010 10 0 "[ . 1 . 2]" 1
354 1 38 THR HA 1 72 GLY H . . 4.620 3.872 3.339 4.375 . 0 0 "[ . 1 . 2]" 1
355 1 71 VAL HB 1 72 GLY H . . 4.890 4.343 4.047 4.630 . 0 0 "[ . 1 . 2]" 1
356 1 70 LEU HB3 1 73 LEU H . . 5.140 4.771 4.395 5.147 0.007 14 0 "[ . 1 . 2]" 1
357 1 73 LEU H 1 78 CYS HG . . 5.110 4.805 4.359 5.088 . 0 0 "[ . 1 . 2]" 1
358 1 73 LEU H 1 74 PRO HD2 . . 4.990 4.795 4.748 4.816 . 0 0 "[ . 1 . 2]" 1
359 1 29 GLU HG2 1 75 LEU H . . 5.500 3.946 2.636 4.769 . 0 0 "[ . 1 . 2]" 1
360 1 29 GLU HG3 1 75 LEU H . . 5.500 3.729 2.521 5.488 . 0 0 "[ . 1 . 2]" 1
361 1 75 LEU H 1 75 LEU HB2 . . 3.610 2.555 2.358 2.799 . 0 0 "[ . 1 . 2]" 1
362 1 75 LEU H 1 75 LEU HG . . 4.960 4.472 4.262 4.583 . 0 0 "[ . 1 . 2]" 1
363 1 75 LEU H 1 76 ALA MB . . 5.340 4.498 4.292 4.627 . 0 0 "[ . 1 . 2]" 1
364 1 75 LEU H 1 75 LEU MD2 . . 5.310 4.193 4.087 4.228 . 0 0 "[ . 1 . 2]" 1
365 1 74 PRO HB3 1 76 ALA H . . 4.530 4.439 4.244 4.532 0.002 18 0 "[ . 1 . 2]" 1
366 1 77 ALA H 1 78 CYS HB2 . . 5.290 5.099 4.974 5.289 . 0 0 "[ . 1 . 2]" 1
367 1 74 PRO HD2 1 77 ALA H . . 4.670 3.974 3.776 4.176 . 0 0 "[ . 1 . 2]" 1
368 1 75 LEU HA 1 77 ALA H . . 4.780 4.461 4.250 4.634 . 0 0 "[ . 1 . 2]" 1
369 1 77 ALA H 1 79 GLN H . . 4.640 4.132 3.924 4.328 . 0 0 "[ . 1 . 2]" 1
370 1 78 CYS H 1 79 GLN HA . . 5.500 5.285 5.210 5.407 . 0 0 "[ . 1 . 2]" 1
371 1 76 ALA H 1 78 CYS H . . 4.600 4.535 4.357 4.601 0.001 19 0 "[ . 1 . 2]" 1
372 1 27 LEU MD1 1 79 GLN H . . 4.660 4.571 4.437 4.661 0.001 18 0 "[ . 1 . 2]" 1
373 1 75 LEU HG 1 79 GLN H . . 5.010 3.908 3.716 4.212 . 0 0 "[ . 1 . 2]" 1
374 1 76 ALA MB 1 79 GLN H . . 5.350 4.562 4.405 4.714 . 0 0 "[ . 1 . 2]" 1
375 1 77 ALA MB 1 79 GLN H . . 4.730 4.392 4.191 4.554 . 0 0 "[ . 1 . 2]" 1
376 1 79 GLN H 1 79 GLN HB3 . . 3.860 3.515 3.482 3.564 . 0 0 "[ . 1 . 2]" 1
377 1 79 GLN HB3 1 80 ALA H . . 4.040 3.493 3.286 3.696 . 0 0 "[ . 1 . 2]" 1
378 1 77 ALA HA 1 80 ALA H . . 3.700 3.558 3.413 3.673 . 0 0 "[ . 1 . 2]" 1
379 1 81 ALA H 1 82 VAL MG1 . . 4.430 3.817 3.475 4.041 . 0 0 "[ . 1 . 2]" 1
380 1 70 LEU MD1 1 81 ALA H . . 4.980 4.616 4.329 4.915 . 0 0 "[ . 1 . 2]" 1
381 1 81 ALA H 1 83 ARG H . . 4.290 3.857 3.739 4.060 . 0 0 "[ . 1 . 2]" 1
382 1 19 ARG H 1 21 GLU H . . 5.130 5.037 4.779 5.121 . 0 0 "[ . 1 . 2]" 1
383 1 79 GLN H 1 81 ALA H . . 4.540 4.067 3.792 4.405 . 0 0 "[ . 1 . 2]" 1
384 1 70 LEU MD1 1 82 VAL H . . 4.260 4.128 3.700 4.263 0.003 5 0 "[ . 1 . 2]" 1
385 1 78 CYS HA 1 82 VAL H . . 4.600 3.629 3.430 3.909 . 0 0 "[ . 1 . 2]" 1
386 1 80 ALA HA 1 82 VAL H . . 5.290 4.669 4.246 5.036 . 0 0 "[ . 1 . 2]" 1
387 1 80 ALA H 1 82 VAL H . . 4.800 4.092 3.786 4.497 . 0 0 "[ . 1 . 2]" 1
388 1 82 VAL H 1 84 GLU H . . 5.190 4.242 3.870 4.441 . 0 0 "[ . 1 . 2]" 1
389 1 79 GLN HA 1 83 ARG H . . 4.810 4.457 4.119 4.784 . 0 0 "[ . 1 . 2]" 1
390 1 83 ARG H 1 83 ARG HG2 . . 4.220 3.374 2.370 4.174 . 0 0 "[ . 1 . 2]" 1
391 1 82 VAL MG1 1 83 ARG H . . 4.100 2.264 1.967 2.531 . 0 0 "[ . 1 . 2]" 1
392 1 83 ARG H 1 84 GLU H . . 3.400 2.431 2.275 2.616 . 0 0 "[ . 1 . 2]" 1
393 1 56 LEU H 1 57 SER H . . 4.540 4.371 4.264 4.525 . 0 0 "[ . 1 . 2]" 1
394 1 23 LEU MD1 1 85 THR H . . 4.650 4.552 4.201 4.655 0.005 16 0 "[ . 1 . 2]" 1
395 1 84 GLU HB3 1 85 THR H . . 4.480 3.524 3.162 4.115 . 0 0 "[ . 1 . 2]" 1
396 1 82 VAL HA 1 85 THR H . . 4.230 3.784 3.537 3.975 . 0 0 "[ . 1 . 2]" 1
397 1 83 ARG H 1 85 THR H . . 4.850 4.107 3.753 4.384 . 0 0 "[ . 1 . 2]" 1
398 1 23 LEU MD1 1 86 LYS H . . 5.300 4.853 4.541 5.253 . 0 0 "[ . 1 . 2]" 1
399 1 86 LYS H 1 91 VAL MG2 . . 5.500 5.061 4.758 5.417 . 0 0 "[ . 1 . 2]" 1
400 1 86 LYS H 1 86 LYS HG3 . . 4.480 4.370 4.259 4.487 0.007 3 0 "[ . 1 . 2]" 1
401 1 85 THR MG 1 86 LYS H . . 4.540 4.035 3.865 4.275 . 0 0 "[ . 1 . 2]" 1
402 1 23 LEU HB2 1 86 LYS H . . 4.610 4.332 4.107 4.578 . 0 0 "[ . 1 . 2]" 1
403 1 86 LYS H 1 86 LYS HG2 . . 4.560 4.501 4.430 4.557 . 0 0 "[ . 1 . 2]" 1
404 1 86 LYS HB2 1 87 SER H . . 5.130 3.879 3.537 4.212 . 0 0 "[ . 1 . 2]" 1
405 1 86 LYS HB3 1 87 SER H . . 5.130 2.670 2.127 3.285 . 0 0 "[ . 1 . 2]" 1
406 1 86 LYS HA 1 88 GLN H . . 5.240 4.688 3.695 5.242 0.002 3 0 "[ . 1 . 2]" 1
407 1 88 GLN H 1 89 THR H . . 4.680 4.580 4.191 4.644 . 0 0 "[ . 1 . 2]" 1
408 1 88 GLN H 1 91 VAL MG2 . . 5.500 5.068 4.472 5.492 . 0 0 "[ . 1 . 2]" 1
409 1 88 GLN HB3 1 89 THR H . . 4.340 3.213 2.393 4.415 0.075 11 0 "[ . 1 . 2]" 1
410 1 88 GLN HA 1 89 THR H . . 3.220 2.293 2.141 2.495 . 0 0 "[ . 1 . 2]" 1
411 1 88 GLN HG3 1 90 SER H . . 4.960 4.138 2.217 5.127 0.167 19 0 "[ . 1 . 2]" 1
412 1 90 SER H 1 90 SER HB2 . . 4.010 3.517 2.643 3.874 . 0 0 "[ . 1 . 2]" 1
413 1 88 GLN HA 1 90 SER H . . 4.080 3.777 3.461 4.060 . 0 0 "[ . 1 . 2]" 1
414 1 89 THR H 1 90 SER H . . 3.060 2.385 2.093 2.699 . 0 0 "[ . 1 . 2]" 1
415 1 88 GLN HB3 1 90 SER H . . 4.220 3.085 2.166 4.243 0.023 11 0 "[ . 1 . 2]" 1
416 1 89 THR MG 1 90 SER H . . 4.420 4.298 4.210 4.408 . 0 0 "[ . 1 . 2]" 1
417 1 16 GLU HA 1 91 VAL H . . 4.280 3.946 3.508 4.255 . 0 0 "[ . 1 . 2]" 1
418 1 90 SER HB2 1 91 VAL H . . 4.220 3.370 2.541 4.144 . 0 0 "[ . 1 . 2]" 1
419 1 15 LEU HG 1 91 VAL H . . 5.400 4.651 4.249 5.044 . 0 0 "[ . 1 . 2]" 1
420 1 15 LEU HB2 1 91 VAL H . . 4.710 2.988 2.789 3.273 . 0 0 "[ . 1 . 2]" 1
421 1 91 VAL H 1 91 VAL HB . . 3.470 2.820 2.648 2.989 . 0 0 "[ . 1 . 2]" 1
422 1 90 SER H 1 91 VAL H . . 4.850 4.358 4.095 4.445 . 0 0 "[ . 1 . 2]" 1
423 1 91 VAL H 1 91 VAL MG1 . . 4.490 3.881 3.786 3.985 . 0 0 "[ . 1 . 2]" 1
424 1 91 VAL HB 1 92 THR H . . 4.510 4.313 4.170 4.413 . 0 0 "[ . 1 . 2]" 1
425 1 66 ASN HA 1 92 THR H . . 4.200 3.443 2.878 3.944 . 0 0 "[ . 1 . 2]" 1
426 1 92 THR HB 1 93 LEU H . . 4.540 4.326 4.225 4.426 . 0 0 "[ . 1 . 2]" 1
427 1 13 VAL HB 1 93 LEU H . . 4.270 3.227 3.023 3.423 . 0 0 "[ . 1 . 2]" 1
428 1 65 ILE HA 1 94 SER H . . 4.420 4.042 3.500 4.323 . 0 0 "[ . 1 . 2]" 1
429 1 63 THR H 1 94 SER H . . 4.590 3.690 3.517 3.934 . 0 0 "[ . 1 . 2]" 1
430 1 94 SER H 1 95 ILE H . . 5.130 4.214 4.083 4.388 . 0 0 "[ . 1 . 2]" 1
431 1 93 LEU HB2 1 94 SER H . . 4.460 4.023 3.662 4.203 . 0 0 "[ . 1 . 2]" 1
432 1 62 LEU MD1 1 94 SER H . . 4.040 3.598 3.040 3.971 . 0 0 "[ . 1 . 2]" 1
433 1 12 GLU HA 1 95 ILE H . . 4.970 4.548 4.111 4.939 . 0 0 "[ . 1 . 2]" 1
434 1 13 VAL H 1 95 ILE H . . 5.370 4.901 4.613 5.192 . 0 0 "[ . 1 . 2]" 1
435 1 61 ARG H 1 96 VAL H . . 4.270 3.840 3.208 4.265 . 0 0 "[ . 1 . 2]" 1
436 1 98 CYS H 1 98 CYS HB2 . . 4.110 3.272 2.318 3.962 . 0 0 "[ . 1 . 2]" 1
437 1 100 PRO HB3 1 101 VAL H . . 4.420 3.943 3.374 4.420 0.000 1 0 "[ . 1 . 2]" 1
438 1 100 PRO HB2 1 101 VAL H . . 4.420 3.417 2.452 4.103 . 0 0 "[ . 1 . 2]" 1
439 1 18 ARG H 1 21 GLU HG3 . . 4.930 4.192 3.811 4.712 . 0 0 "[ . 1 . 2]" 1
440 1 16 GLU H 1 17 LYS H . . 4.430 4.076 3.981 4.237 . 0 0 "[ . 1 . 2]" 1
441 1 17 LYS H 1 89 THR MG . . 4.760 4.545 4.233 4.764 0.004 17 0 "[ . 1 . 2]" 1
442 1 16 GLU HB2 1 17 LYS H . . 4.650 4.464 4.340 4.528 . 0 0 "[ . 1 . 2]" 1
443 1 15 LEU MD2 1 16 GLU H . . 4.580 3.574 3.175 3.801 . 0 0 "[ . 1 . 2]" 1
444 1 15 LEU H 1 16 GLU H . . 4.540 4.464 4.432 4.496 . 0 0 "[ . 1 . 2]" 1
445 1 14 HIS HB2 1 15 LEU H . . 4.360 3.904 3.689 4.371 0.011 14 0 "[ . 1 . 2]" 1
446 1 15 LEU H 1 93 LEU H . . 4.940 4.622 4.317 4.844 . 0 0 "[ . 1 . 2]" 1
447 1 15 LEU H 1 15 LEU HB2 . . 4.170 2.759 2.584 2.871 . 0 0 "[ . 1 . 2]" 1
448 1 15 LEU H 1 91 VAL HB . . 4.490 3.951 3.575 4.286 . 0 0 "[ . 1 . 2]" 1
449 1 15 LEU H 1 15 LEU MD2 . . 4.340 3.952 3.720 4.198 . 0 0 "[ . 1 . 2]" 1
450 1 96 VAL HB 1 97 HIS H . . 5.290 4.189 3.117 4.451 . 0 0 "[ . 1 . 2]" 1
451 1 13 VAL H 1 93 LEU HB2 . . 4.370 3.979 3.536 4.192 . 0 0 "[ . 1 . 2]" 1
452 1 13 VAL H 1 14 HIS H . . 4.520 4.113 3.982 4.255 . 0 0 "[ . 1 . 2]" 1
453 1 12 GLU HG3 1 13 VAL H . . 4.850 3.610 2.783 4.627 . 0 0 "[ . 1 . 2]" 1
454 1 12 GLU H 1 12 GLU HG2 . . 4.710 4.578 4.318 4.749 0.039 16 0 "[ . 1 . 2]" 1
455 1 12 GLU H 1 12 GLU HG3 . . 4.710 4.293 3.182 4.648 . 0 0 "[ . 1 . 2]" 1
456 1 12 GLU H 1 13 VAL H . . 4.720 4.317 3.980 4.469 . 0 0 "[ . 1 . 2]" 1
457 1 11 ARG H 1 12 GLU H . . 4.510 4.238 4.004 4.534 0.024 7 0 "[ . 1 . 2]" 1
458 1 11 ARG H 1 96 VAL HA . . 4.450 3.947 3.529 4.371 . 0 0 "[ . 1 . 2]" 1
459 1 11 ARG H 1 11 ARG HB2 . . 4.140 3.035 2.587 3.434 . 0 0 "[ . 1 . 2]" 1
460 1 11 ARG H 1 95 ILE HG13 . . 4.450 3.708 3.058 4.345 . 0 0 "[ . 1 . 2]" 1
461 1 9 ASN H 1 10 CYS H . . 4.260 3.816 2.918 4.172 . 0 0 "[ . 1 . 2]" 1
462 1 10 CYS H 1 11 ARG H . . 4.980 4.447 4.302 4.619 . 0 0 "[ . 1 . 2]" 1
463 1 32 TRP H 1 32 TRP HE1 . . 4.880 4.442 3.914 4.875 . 0 0 "[ . 1 . 2]" 1
464 1 27 LEU H 1 27 LEU HG . . 3.580 2.498 2.339 2.723 . 0 0 "[ . 1 . 2]" 1
465 1 27 LEU H 1 28 VAL MG1 . . 5.340 4.387 4.138 4.598 . 0 0 "[ . 1 . 2]" 1
466 1 27 LEU H 1 82 VAL MG1 . . 5.500 4.622 4.358 4.910 . 0 0 "[ . 1 . 2]" 1
467 1 16 GLU H 1 16 GLU HG2 . . 4.330 3.896 2.877 4.331 0.001 5 0 "[ . 1 . 2]" 1
468 1 88 GLN HG2 1 90 SER H . . 4.960 4.664 3.728 5.017 0.057 13 0 "[ . 1 . 2]" 1
469 1 65 ILE MD 1 82 VAL HA . . 3.350 2.672 2.232 3.064 . 0 0 "[ . 1 . 2]" 1
470 1 24 GLY HA3 1 45 LEU HB2 . . 4.440 4.061 3.107 4.439 . 0 0 "[ . 1 . 2]" 1
471 1 23 LEU MD2 1 24 GLY HA2 . . 5.330 4.687 4.528 4.868 . 0 0 "[ . 1 . 2]" 1
472 1 95 ILE H 1 95 ILE MD . . 4.610 3.644 3.399 4.046 . 0 0 "[ . 1 . 2]" 1
473 1 95 ILE MD 1 97 HIS H . . 4.670 3.595 2.850 4.669 . 0 0 "[ . 1 . 2]" 1
474 1 95 ILE HA 1 95 ILE MD . . 4.190 3.725 3.524 4.122 . 0 0 "[ . 1 . 2]" 1
475 1 95 ILE MD 1 97 HIS HA . . 4.590 3.101 2.461 3.872 . 0 0 "[ . 1 . 2]" 1
476 1 60 ASP HB2 1 95 ILE MD . . 4.870 4.465 3.314 4.872 0.002 5 0 "[ . 1 . 2]" 1
477 1 60 ASP HB3 1 95 ILE MD . . 4.100 3.079 1.951 3.505 . 0 0 "[ . 1 . 2]" 1
478 1 95 ILE HB 1 95 ILE MD . . 3.420 2.199 2.088 2.276 . 0 0 "[ . 1 . 2]" 1
479 1 11 ARG HB3 1 95 ILE MD . . 4.120 2.984 1.951 3.960 . 0 0 "[ . 1 . 2]" 1
480 1 27 LEU HB2 1 27 LEU MD1 . . 3.370 2.121 1.985 2.232 . 0 0 "[ . 1 . 2]" 1
481 1 56 LEU H 1 56 LEU HB2 . . 3.760 2.681 2.578 2.842 . 0 0 "[ . 1 . 2]" 1
482 1 56 LEU HB2 1 56 LEU MD1 . . 3.240 2.162 2.095 2.258 . 0 0 "[ . 1 . 2]" 1
483 1 20 GLY HA3 1 86 LYS HG2 . . 4.190 3.904 3.588 4.145 . 0 0 "[ . 1 . 2]" 1
484 1 20 GLY HA2 1 86 LYS HG2 . . 3.910 2.304 2.048 2.511 . 0 0 "[ . 1 . 2]" 1
485 1 41 ILE H 1 41 ILE MD . . 3.930 3.439 3.140 3.598 . 0 0 "[ . 1 . 2]" 1
486 1 41 ILE MD 1 60 ASP H . . 4.310 3.386 3.085 3.662 . 0 0 "[ . 1 . 2]" 1
487 1 41 ILE HA 1 41 ILE MD . . 4.090 3.867 3.828 3.904 . 0 0 "[ . 1 . 2]" 1
488 1 41 ILE MD 1 60 ASP HB2 . . 3.460 2.104 1.944 2.399 . 0 0 "[ . 1 . 2]" 1
489 1 41 ILE MD 1 60 ASP HB3 . . 3.890 3.320 2.657 3.710 . 0 0 "[ . 1 . 2]" 1
490 1 41 ILE HB 1 41 ILE MD . . 3.360 2.301 2.131 2.424 . 0 0 "[ . 1 . 2]" 1
491 1 41 ILE MD 1 56 LEU HB3 . . 3.680 3.041 2.725 3.356 . 0 0 "[ . 1 . 2]" 1
492 1 23 LEU MD2 1 48 GLY HA3 . . 5.460 4.964 4.754 5.166 . 0 0 "[ . 1 . 2]" 1
493 1 45 LEU MD1 1 48 GLY HA3 . . 5.500 4.546 2.607 4.869 . 0 0 "[ . 1 . 2]" 1
494 1 22 GLY HA2 1 23 LEU HB2 . . 4.770 4.264 4.251 4.281 . 0 0 "[ . 1 . 2]" 1
495 1 43 ASN HA 1 58 ILE MD . . 3.430 2.549 1.955 3.103 . 0 0 "[ . 1 . 2]" 1
496 1 58 ILE HA 1 58 ILE MD . . 4.030 3.350 2.028 3.886 . 0 0 "[ . 1 . 2]" 1
497 1 58 ILE HB 1 58 ILE MD . . 3.280 2.328 2.086 3.223 . 0 0 "[ . 1 . 2]" 1
498 1 44 LEU HG 1 58 ILE MD . . 3.970 3.226 1.911 3.969 . 0 0 "[ . 1 . 2]" 1
499 1 15 LEU H 1 15 LEU HB3 . . 4.050 3.818 3.741 3.866 . 0 0 "[ . 1 . 2]" 1
500 1 15 LEU HB3 1 91 VAL HB . . 4.240 3.963 3.690 4.239 . 0 0 "[ . 1 . 2]" 1
501 1 13 VAL HB 1 93 LEU HB2 . . 3.760 2.630 2.501 2.739 . 0 0 "[ . 1 . 2]" 1
502 1 93 LEU HB2 1 93 LEU MD1 . . 3.320 2.332 2.134 2.519 . 0 0 "[ . 1 . 2]" 1
503 1 62 LEU MD1 1 93 LEU HB3 . . 3.740 3.465 2.714 3.743 0.003 11 0 "[ . 1 . 2]" 1
504 1 49 PRO HA 1 52 ARG HD2 . . 4.970 2.913 2.309 3.881 . 0 0 "[ . 1 . 2]" 1
505 1 49 PRO HA 1 52 ARG HD3 . . 4.970 2.897 1.996 4.534 . 0 0 "[ . 1 . 2]" 1
506 1 61 ARG HD2 1 95 ILE HB . . 5.500 4.688 3.839 5.500 0.000 3 0 "[ . 1 . 2]" 1
507 1 61 ARG HD3 1 95 ILE HB . . 5.500 5.172 4.703 5.499 . 0 0 "[ . 1 . 2]" 1
508 1 44 LEU HB3 1 44 LEU MD1 . . 3.610 2.231 2.132 2.335 . 0 0 "[ . 1 . 2]" 1
509 1 11 ARG HD3 1 13 VAL MG2 . . 4.270 2.950 2.078 4.200 . 0 0 "[ . 1 . 2]" 1
510 1 11 ARG HD2 1 13 VAL MG2 . . 4.270 3.219 1.858 4.196 . 0 0 "[ . 1 . 2]" 1
511 1 62 LEU HB2 1 62 LEU MD2 . . 3.480 3.139 3.118 3.161 . 0 0 "[ . 1 . 2]" 1
512 1 19 ARG HD2 1 89 THR MG . . 5.500 4.147 2.213 5.498 . 0 0 "[ . 1 . 2]" 1
513 1 19 ARG HD3 1 89 THR MG . . 5.500 4.429 2.514 5.388 . 0 0 "[ . 1 . 2]" 1
514 1 18 ARG HA 1 18 ARG HD3 . . 4.730 3.461 2.250 4.652 . 0 0 "[ . 1 . 2]" 1
515 1 60 ASP HB3 1 95 ILE HB . . 4.240 3.073 2.416 3.469 . 0 0 "[ . 1 . 2]" 1
516 1 23 LEU HB3 1 23 LEU MD1 . . 3.670 2.329 2.224 2.409 . 0 0 "[ . 1 . 2]" 1
517 1 24 GLY HA3 1 45 LEU HB3 . . 4.440 3.367 2.433 3.748 . 0 0 "[ . 1 . 2]" 1
518 1 24 GLY HA2 1 45 LEU HB3 . . 4.260 3.836 2.893 4.183 . 0 0 "[ . 1 . 2]" 1
519 1 86 LYS HB3 1 86 LYS HE2 . . 5.090 4.365 4.122 4.651 . 0 0 "[ . 1 . 2]" 1
520 1 86 LYS HB3 1 86 LYS HE3 . . 5.450 4.575 4.427 4.708 . 0 0 "[ . 1 . 2]" 1
521 1 86 LYS HB2 1 86 LYS HE2 . . 5.090 4.676 4.518 4.938 . 0 0 "[ . 1 . 2]" 1
522 1 86 LYS HB2 1 86 LYS HE3 . . 5.450 4.244 3.920 4.470 . 0 0 "[ . 1 . 2]" 1
523 1 86 LYS HE2 1 86 LYS HG2 . . 3.610 2.622 2.324 3.638 0.028 3 0 "[ . 1 . 2]" 1
524 1 86 LYS HE3 1 86 LYS HG2 . . 4.060 3.110 2.649 3.440 . 0 0 "[ . 1 . 2]" 1
525 1 20 GLY HA3 1 86 LYS HE2 . . 4.450 3.867 3.510 4.450 . 0 0 "[ . 1 . 2]" 1
526 1 22 GLY HA3 1 86 LYS HE3 . . 4.370 3.866 3.240 4.373 0.003 3 0 "[ . 1 . 2]" 1
527 1 17 LYS HE2 1 85 THR HB . . 4.510 3.890 3.429 4.289 . 0 0 "[ . 1 . 2]" 1
528 1 17 LYS HB3 1 17 LYS HE2 . . 4.150 2.324 2.173 2.567 . 0 0 "[ . 1 . 2]" 1
529 1 17 LYS HE2 1 91 VAL MG2 . . 3.660 1.973 1.776 2.187 . 0 0 "[ . 1 . 2]" 1
530 1 17 LYS HE3 1 90 SER H . . 4.170 3.983 3.738 4.177 0.007 11 0 "[ . 1 . 2]" 1
531 1 17 LYS HB3 1 17 LYS HE3 . . 4.470 3.591 3.338 3.737 . 0 0 "[ . 1 . 2]" 1
532 1 17 LYS HE3 1 91 VAL MG2 . . 3.560 2.054 1.900 2.335 . 0 0 "[ . 1 . 2]" 1
533 1 63 THR HA 1 70 LEU HB2 . . 4.480 4.121 3.898 4.308 . 0 0 "[ . 1 . 2]" 1
534 1 26 ALA MB 1 43 ASN HB3 . . 3.530 2.587 2.022 3.459 . 0 0 "[ . 1 . 2]" 1
535 1 43 ASN HB3 1 58 ILE MG . . 5.500 5.346 5.014 5.485 . 0 0 "[ . 1 . 2]" 1
536 1 73 LEU HB2 1 74 PRO HD2 . . 4.350 3.644 3.612 3.702 . 0 0 "[ . 1 . 2]" 1
537 1 73 LEU HB2 1 78 CYS HG . . 4.430 3.501 3.035 3.960 . 0 0 "[ . 1 . 2]" 1
538 1 73 LEU H 1 73 LEU HB3 . . 4.050 3.673 3.534 3.851 . 0 0 "[ . 1 . 2]" 1
539 1 65 ILE HB 1 65 ILE MD . . 3.410 2.384 2.230 2.509 . 0 0 "[ . 1 . 2]" 1
540 1 38 THR HB 1 39 ALA H . . 3.620 2.593 2.432 2.929 . 0 0 "[ . 1 . 2]" 1
541 1 85 THR HB 1 88 GLN HB3 . . 5.500 5.064 4.343 5.501 0.001 8 0 "[ . 1 . 2]" 1
542 1 85 THR HB 1 91 VAL MG2 . . 3.200 1.991 1.825 2.288 . 0 0 "[ . 1 . 2]" 1
543 1 66 ASN H 1 92 THR HB . . 4.040 2.892 2.239 3.379 . 0 0 "[ . 1 . 2]" 1
544 1 92 THR H 1 92 THR HB . . 3.300 2.652 2.549 2.774 . 0 0 "[ . 1 . 2]" 1
545 1 66 ASN HA 1 92 THR HB . . 3.590 2.441 2.001 3.011 . 0 0 "[ . 1 . 2]" 1
546 1 65 ILE MG 1 68 THR HB . . 4.210 3.807 3.393 4.211 0.001 9 0 "[ . 1 . 2]" 1
547 1 29 GLU HG2 1 75 LEU MD1 . . 5.500 4.557 2.671 5.467 . 0 0 "[ . 1 . 2]" 1
548 1 41 ILE HB 1 60 ASP H . . 4.040 3.872 3.581 4.036 . 0 0 "[ . 1 . 2]" 1
549 1 51 GLU HA 1 51 GLU HG2 . . 3.780 3.154 2.398 3.779 . 0 0 "[ . 1 . 2]" 1
550 1 84 GLU H 1 84 GLU HG3 . . 3.940 3.125 2.106 3.938 . 0 0 "[ . 1 . 2]" 1
551 1 16 GLU HA 1 16 GLU HG3 . . 4.250 3.199 2.546 3.792 . 0 0 "[ . 1 . 2]" 1
552 1 15 LEU HG 1 91 VAL HB . . 4.800 4.106 3.532 4.721 . 0 0 "[ . 1 . 2]" 1
553 1 25 VAL HB 1 82 VAL MG2 . . 4.270 3.642 3.361 3.869 . 0 0 "[ . 1 . 2]" 1
554 1 23 LEU MD1 1 25 VAL HB . . 4.360 4.053 3.931 4.252 . 0 0 "[ . 1 . 2]" 1
555 1 23 LEU MD2 1 25 VAL HB . . 4.760 4.124 3.903 4.397 . 0 0 "[ . 1 . 2]" 1
556 1 28 VAL H 1 40 VAL HB . . 4.260 3.950 3.681 4.108 . 0 0 "[ . 1 . 2]" 1
557 1 28 VAL MG2 1 40 VAL HB . . 3.360 2.618 2.350 2.908 . 0 0 "[ . 1 . 2]" 1
558 1 82 VAL HA 1 82 VAL MG1 . . 3.210 3.194 3.181 3.202 . 0 0 "[ . 1 . 2]" 1
559 1 17 LYS H 1 17 LYS HB3 . . 3.590 2.697 2.625 2.856 . 0 0 "[ . 1 . 2]" 1
560 1 17 LYS HB3 1 17 LYS HD3 . . 3.940 2.914 2.832 2.964 . 0 0 "[ . 1 . 2]" 1
561 1 17 LYS HB2 1 17 LYS HD3 . . 3.790 2.247 2.171 2.307 . 0 0 "[ . 1 . 2]" 1
562 1 85 THR HA 1 88 GLN HG3 . . 4.170 3.535 3.185 4.176 0.006 14 0 "[ . 1 . 2]" 1
563 1 88 GLN HA 1 88 GLN HG2 . . 4.030 3.379 2.372 3.748 . 0 0 "[ . 1 . 2]" 1
564 1 96 VAL H 1 96 VAL HB . . 3.920 2.609 2.484 3.642 . 0 0 "[ . 1 . 2]" 1
565 1 57 SER H 1 57 SER HB2 . . 4.050 3.727 2.883 3.911 . 0 0 "[ . 1 . 2]" 1
566 1 57 SER HB2 1 58 ILE H . . 4.090 2.466 1.954 4.010 . 0 0 "[ . 1 . 2]" 1
567 1 57 SER H 1 57 SER HB3 . . 4.050 3.295 3.009 3.530 . 0 0 "[ . 1 . 2]" 1
568 1 49 PRO HA 1 52 ARG HB3 . . 3.940 3.664 3.466 3.825 . 0 0 "[ . 1 . 2]" 1
569 1 49 PRO HA 1 52 ARG HG2 . . 4.320 2.255 2.033 2.565 . 0 0 "[ . 1 . 2]" 1
570 1 11 ARG HB2 1 12 GLU H . . 4.750 4.325 3.854 4.508 . 0 0 "[ . 1 . 2]" 1
571 1 11 ARG HB2 1 13 VAL MG2 . . 4.700 4.503 4.329 4.698 . 0 0 "[ . 1 . 2]" 1
572 1 11 ARG HB3 1 12 GLU H . . 4.260 4.143 3.876 4.277 0.017 11 0 "[ . 1 . 2]" 1
573 1 11 ARG HB3 1 95 ILE H . . 4.800 3.091 2.280 3.717 . 0 0 "[ . 1 . 2]" 1
574 1 71 VAL HA 1 71 VAL MG1 . . 3.260 2.960 2.376 3.197 . 0 0 "[ . 1 . 2]" 1
575 1 86 LYS HB3 1 86 LYS HD2 . . 3.690 2.856 2.477 3.109 . 0 0 "[ . 1 . 2]" 1
576 1 86 LYS HB3 1 86 LYS HD3 . . 4.130 2.496 2.333 2.670 . 0 0 "[ . 1 . 2]" 1
577 1 86 LYS HB2 1 86 LYS HD2 . . 3.690 2.558 2.460 2.678 . 0 0 "[ . 1 . 2]" 1
578 1 86 LYS HB2 1 86 LYS HD3 . . 4.130 3.241 3.002 3.563 . 0 0 "[ . 1 . 2]" 1
579 1 90 SER HB3 1 91 VAL H . . 4.220 3.815 2.642 4.190 . 0 0 "[ . 1 . 2]" 1
580 1 90 SER H 1 90 SER HB3 . . 4.010 3.291 2.716 3.881 . 0 0 "[ . 1 . 2]" 1
581 1 30 SER H 1 30 SER HB2 . . 4.180 2.873 2.363 3.629 . 0 0 "[ . 1 . 2]" 1
582 1 30 SER H 1 30 SER HB3 . . 4.180 3.239 2.464 3.955 . 0 0 "[ . 1 . 2]" 1
583 1 74 PRO HB3 1 75 LEU H . . 4.280 3.711 3.422 3.856 . 0 0 "[ . 1 . 2]" 1
584 1 74 PRO HB2 1 77 ALA MB . . 4.330 4.131 4.037 4.217 . 0 0 "[ . 1 . 2]" 1
585 1 53 SER H 1 53 SER HB2 . . 3.690 3.559 3.513 3.587 . 0 0 "[ . 1 . 2]" 1
586 1 53 SER HB2 1 55 ALA MB . . 4.110 3.410 3.197 3.705 . 0 0 "[ . 1 . 2]" 1
587 1 53 SER HB2 1 56 LEU MD1 . . 4.210 3.281 2.746 3.999 . 0 0 "[ . 1 . 2]" 1
588 1 53 SER HB3 1 55 ALA MB . . 4.920 4.685 4.454 4.909 . 0 0 "[ . 1 . 2]" 1
589 1 15 LEU MD2 1 53 SER HB3 . . 3.770 2.093 1.884 2.374 . 0 0 "[ . 1 . 2]" 1
590 1 49 PRO HB3 1 50 ALA H . . 4.360 4.190 4.069 4.258 . 0 0 "[ . 1 . 2]" 1
591 1 17 LYS HB3 1 49 PRO HB3 . . 3.940 2.963 2.741 3.240 . 0 0 "[ . 1 . 2]" 1
592 1 17 LYS HB2 1 49 PRO HB3 . . 3.840 2.943 2.775 3.130 . 0 0 "[ . 1 . 2]" 1
593 1 17 LYS HD3 1 49 PRO HB3 . . 5.070 4.832 4.654 5.001 . 0 0 "[ . 1 . 2]" 1
594 1 15 LEU MD1 1 49 PRO HB3 . . 5.500 5.069 4.673 5.422 . 0 0 "[ . 1 . 2]" 1
595 1 23 LEU MD2 1 49 PRO HB3 . . 4.910 4.780 4.547 4.903 . 0 0 "[ . 1 . 2]" 1
596 1 15 LEU HB2 1 49 PRO HB2 . . 4.600 3.814 3.465 4.329 . 0 0 "[ . 1 . 2]" 1
597 1 17 LYS HB2 1 49 PRO HB2 . . 4.200 3.575 3.308 3.929 . 0 0 "[ . 1 . 2]" 1
598 1 79 GLN HA 1 82 VAL HB . . 4.190 3.950 3.673 4.115 . 0 0 "[ . 1 . 2]" 1
599 1 58 ILE HA 1 59 GLY H . . 2.990 2.155 2.143 2.187 . 0 0 "[ . 1 . 2]" 1
600 1 58 ILE HA 1 60 ASP H . . 4.350 4.170 4.004 4.343 . 0 0 "[ . 1 . 2]" 1
601 1 41 ILE HB 1 58 ILE HA . . 3.890 2.416 2.006 2.892 . 0 0 "[ . 1 . 2]" 1
602 1 58 ILE HA 1 58 ILE HG12 . . 4.050 3.169 2.598 3.533 . 0 0 "[ . 1 . 2]" 1
603 1 69 SER H 1 69 SER HB3 . . 3.700 2.898 2.396 3.598 . 0 0 "[ . 1 . 2]" 1
604 1 29 GLU H 1 29 GLU HB3 . . 3.700 3.091 2.504 3.681 . 0 0 "[ . 1 . 2]" 1
605 1 29 GLU HB3 1 75 LEU MD1 . . 5.430 4.667 3.756 5.427 . 0 0 "[ . 1 . 2]" 1
606 1 12 GLU HB2 1 13 VAL H . . 4.660 4.484 4.235 4.584 . 0 0 "[ . 1 . 2]" 1
607 1 85 THR HA 1 88 GLN H . . 4.310 3.151 2.905 3.502 . 0 0 "[ . 1 . 2]" 1
608 1 85 THR HA 1 88 GLN HG2 . . 4.170 2.772 2.005 4.173 0.003 5 0 "[ . 1 . 2]" 1
609 1 85 THR HA 1 85 THR MG . . 3.170 2.274 2.057 2.447 . 0 0 "[ . 1 . 2]" 1
610 1 85 THR HA 1 91 VAL MG2 . . 4.160 3.855 3.357 4.166 0.006 5 0 "[ . 1 . 2]" 1
611 1 41 ILE HA 1 41 ILE HG12 . . 3.950 2.644 2.527 2.831 . 0 0 "[ . 1 . 2]" 1
612 1 27 LEU HB3 1 41 ILE HA . . 4.540 3.750 3.538 3.977 . 0 0 "[ . 1 . 2]" 1
613 1 41 ILE HA 1 42 ALA MB . . 4.960 3.990 3.928 4.027 . 0 0 "[ . 1 . 2]" 1
614 1 41 ILE HA 1 41 ILE HG13 . . 3.950 2.904 2.728 3.043 . 0 0 "[ . 1 . 2]" 1
615 1 41 ILE HA 1 42 ALA H . . 3.030 2.161 2.144 2.195 . 0 0 "[ . 1 . 2]" 1
616 1 18 ARG HB3 1 19 ARG H . . 4.680 3.141 2.710 3.451 . 0 0 "[ . 1 . 2]" 1
617 1 78 CYS HA 1 78 CYS HG . . 4.270 3.484 3.140 4.020 . 0 0 "[ . 1 . 2]" 1
618 1 78 CYS HA 1 81 ALA MB . . 3.370 2.641 2.214 3.070 . 0 0 "[ . 1 . 2]" 1
619 1 78 CYS HA 1 82 VAL MG1 . . 4.640 4.454 4.300 4.621 . 0 0 "[ . 1 . 2]" 1
620 1 77 ALA MB 1 78 CYS HA . . 4.270 3.648 3.603 3.703 . 0 0 "[ . 1 . 2]" 1
621 1 63 THR H 1 94 SER HB2 . . 4.620 4.117 3.427 4.631 0.011 16 0 "[ . 1 . 2]" 1
622 1 64 ALA H 1 94 SER HB2 . . 4.060 3.287 2.635 4.053 . 0 0 "[ . 1 . 2]" 1
623 1 63 THR H 1 94 SER HB3 . . 4.620 3.980 3.018 4.637 0.017 5 0 "[ . 1 . 2]" 1
624 1 88 GLN HB2 1 91 VAL MG2 . . 4.660 3.793 3.440 4.394 . 0 0 "[ . 1 . 2]" 1
625 1 88 GLN HB3 1 91 VAL MG2 . . 4.660 4.486 3.868 4.686 0.026 13 0 "[ . 1 . 2]" 1
626 1 63 THR HA 1 63 THR MG . . 3.300 2.432 2.344 2.634 . 0 0 "[ . 1 . 2]" 1
627 1 52 ARG H 1 52 ARG HB2 . . 3.920 3.584 3.565 3.600 . 0 0 "[ . 1 . 2]" 1
628 1 52 ARG HB2 1 52 ARG HD2 . . 4.210 2.865 2.141 3.619 . 0 0 "[ . 1 . 2]" 1
629 1 52 ARG HB2 1 52 ARG HD3 . . 4.210 3.303 2.338 3.754 . 0 0 "[ . 1 . 2]" 1
630 1 44 LEU HB3 1 51 GLU HB3 . . 4.600 4.143 3.641 4.482 . 0 0 "[ . 1 . 2]" 1
631 1 83 ARG HB3 1 84 GLU H . . 4.170 3.503 3.280 3.883 . 0 0 "[ . 1 . 2]" 1
632 1 83 ARG H 1 83 ARG HB2 . . 3.750 2.514 2.186 3.631 . 0 0 "[ . 1 . 2]" 1
633 1 83 ARG HB2 1 84 GLU H . . 4.170 3.077 2.642 4.171 0.001 17 0 "[ . 1 . 2]" 1
634 1 44 LEU HB3 1 51 GLU HB2 . . 4.120 2.517 2.005 2.836 . 0 0 "[ . 1 . 2]" 1
635 1 44 LEU MD1 1 51 GLU HB2 . . 4.680 3.082 2.538 3.406 . 0 0 "[ . 1 . 2]" 1
636 1 44 LEU MD2 1 51 GLU HB2 . . 5.220 3.725 3.374 4.235 . 0 0 "[ . 1 . 2]" 1
637 1 10 CYS HA 1 96 VAL HA . . 3.720 2.612 2.077 3.561 . 0 0 "[ . 1 . 2]" 1
638 1 96 VAL HA 1 96 VAL MG1 . . 3.660 2.423 2.214 3.201 . 0 0 "[ . 1 . 2]" 1
639 1 96 VAL HA 1 96 VAL MG2 . . 3.660 2.398 2.213 3.184 . 0 0 "[ . 1 . 2]" 1
640 1 97 HIS H 1 97 HIS HB2 . . 3.980 2.981 2.233 3.731 . 0 0 "[ . 1 . 2]" 1
641 1 95 ILE MD 1 97 HIS HB3 . . 4.820 4.172 3.473 4.759 . 0 0 "[ . 1 . 2]" 1
642 1 86 LYS HA 1 86 LYS HD2 . . 5.010 4.453 4.354 4.554 . 0 0 "[ . 1 . 2]" 1
643 1 86 LYS HA 1 86 LYS HD3 . . 5.430 4.679 4.601 4.774 . 0 0 "[ . 1 . 2]" 1
644 1 84 GLU H 1 84 GLU HB3 . . 3.590 3.304 2.211 3.592 0.002 1 0 "[ . 1 . 2]" 1
645 1 19 ARG H 1 19 ARG HB2 . . 3.780 2.352 2.225 2.596 . 0 0 "[ . 1 . 2]" 1
646 1 17 LYS HD2 1 90 SER H . . 5.230 5.076 4.883 5.231 0.001 12 0 "[ . 1 . 2]" 1
647 1 17 LYS HD2 1 21 GLU HB3 . . 4.450 3.606 3.032 4.320 . 0 0 "[ . 1 . 2]" 1
648 1 13 VAL MG1 1 92 THR HA . . 5.010 4.737 4.521 4.913 . 0 0 "[ . 1 . 2]" 1
649 1 13 VAL HA 1 13 VAL MG1 . . 3.120 2.284 2.159 2.424 . 0 0 "[ . 1 . 2]" 1
650 1 13 VAL HA 1 13 VAL MG2 . . 3.420 2.415 2.330 2.536 . 0 0 "[ . 1 . 2]" 1
651 1 53 SER HA 1 53 SER HB3 . . 2.940 2.556 2.494 2.636 . 0 0 "[ . 1 . 2]" 1
652 1 17 LYS QZ 1 86 LYS HA . . 3.650 1.952 1.805 2.278 . 0 0 "[ . 1 . 2]" 1
653 1 17 LYS HE3 1 86 LYS HA . . 4.520 4.023 3.580 4.308 . 0 0 "[ . 1 . 2]" 1
654 1 86 LYS HA 1 86 LYS HG3 . . 3.620 2.640 2.533 2.829 . 0 0 "[ . 1 . 2]" 1
655 1 23 LEU HB2 1 86 LYS HA . . 4.310 4.043 3.725 4.315 0.005 11 0 "[ . 1 . 2]" 1
656 1 24 GLY HA3 1 49 PRO HG2 . . 5.000 4.625 4.328 4.998 . 0 0 "[ . 1 . 2]" 1
657 1 23 LEU HA 1 49 PRO HG2 . . 3.550 2.652 2.370 3.034 . 0 0 "[ . 1 . 2]" 1
658 1 17 LYS HD3 1 49 PRO HG2 . . 4.710 4.453 4.111 4.555 . 0 0 "[ . 1 . 2]" 1
659 1 17 LYS HB2 1 49 PRO HG2 . . 4.240 3.919 3.610 4.235 . 0 0 "[ . 1 . 2]" 1
660 1 23 LEU MD2 1 49 PRO HG2 . . 4.220 2.242 2.021 2.403 . 0 0 "[ . 1 . 2]" 1
661 1 17 LYS HB2 1 49 PRO HG3 . . 4.260 2.451 2.217 2.653 . 0 0 "[ . 1 . 2]" 1
662 1 17 LYS HD3 1 49 PRO HG3 . . 4.550 3.320 2.948 3.552 . 0 0 "[ . 1 . 2]" 1
663 1 44 LEU HB3 1 51 GLU HA . . 4.340 4.048 3.645 4.283 . 0 0 "[ . 1 . 2]" 1
664 1 10 CYS HB2 1 11 ARG H . . 4.770 2.954 2.065 4.041 . 0 0 "[ . 1 . 2]" 1
665 1 10 CYS HB3 1 11 ARG H . . 4.770 3.422 1.925 4.085 . 0 0 "[ . 1 . 2]" 1
666 1 10 CYS H 1 10 CYS HB2 . . 4.110 3.426 2.257 3.977 . 0 0 "[ . 1 . 2]" 1
667 1 58 ILE H 1 58 ILE HG13 . . 3.880 2.609 1.897 3.500 . 0 0 "[ . 1 . 2]" 1
668 1 43 ASN HA 1 58 ILE HG13 . . 4.680 2.855 2.005 3.652 . 0 0 "[ . 1 . 2]" 1
669 1 58 ILE HA 1 58 ILE HG13 . . 4.050 2.709 2.274 3.757 . 0 0 "[ . 1 . 2]" 1
670 1 27 LEU HB3 1 28 VAL HA . . 4.880 4.498 4.345 4.643 . 0 0 "[ . 1 . 2]" 1
671 1 28 VAL HA 1 42 ALA MB . . 5.070 4.007 3.836 4.259 . 0 0 "[ . 1 . 2]" 1
672 1 28 VAL HA 1 75 LEU MD1 . . 3.750 2.158 1.907 2.476 . 0 0 "[ . 1 . 2]" 1
673 1 28 VAL HA 1 28 VAL MG1 . . 3.130 2.262 2.166 2.349 . 0 0 "[ . 1 . 2]" 1
674 1 83 ARG HA 1 86 LYS HB2 . . 4.770 3.379 3.047 3.655 . 0 0 "[ . 1 . 2]" 1
675 1 82 VAL MG2 1 83 ARG HA . . 4.120 3.890 3.444 4.013 . 0 0 "[ . 1 . 2]" 1
676 1 83 ARG HA 1 83 ARG HG3 . . 3.920 3.221 2.196 3.784 . 0 0 "[ . 1 . 2]" 1
677 1 83 ARG HA 1 83 ARG HG2 . . 3.920 2.812 2.184 3.872 . 0 0 "[ . 1 . 2]" 1
678 1 18 ARG HA 1 18 ARG HG2 . . 3.980 2.567 2.199 3.570 . 0 0 "[ . 1 . 2]" 1
679 1 18 ARG HA 1 18 ARG HG3 . . 3.980 3.404 2.372 3.758 . 0 0 "[ . 1 . 2]" 1
680 1 62 LEU HA 1 62 LEU HG . . 4.150 2.579 2.420 2.758 . 0 0 "[ . 1 . 2]" 1
681 1 73 LEU HB3 1 74 PRO HG2 . . 5.410 3.748 3.699 3.833 . 0 0 "[ . 1 . 2]" 1
682 1 74 PRO HG2 1 76 ALA MB . . 5.500 3.094 2.815 3.324 . 0 0 "[ . 1 . 2]" 1
683 1 74 PRO HG2 1 77 ALA H . . 4.530 2.538 2.360 2.689 . 0 0 "[ . 1 . 2]" 1
684 1 19 ARG HG3 1 20 GLY HA3 . . 5.290 4.751 3.749 5.258 . 0 0 "[ . 1 . 2]" 1
685 1 19 ARG HA 1 19 ARG HG3 . . 3.920 2.461 2.233 2.795 . 0 0 "[ . 1 . 2]" 1
686 1 49 PRO HA 1 52 ARG HG3 . . 4.320 3.780 3.485 4.004 . 0 0 "[ . 1 . 2]" 1
687 1 52 ARG HG3 1 53 SER HB3 . . 4.610 3.571 3.400 3.848 . 0 0 "[ . 1 . 2]" 1
688 1 70 LEU HA 1 70 LEU HG . . 4.220 3.051 2.850 3.195 . 0 0 "[ . 1 . 2]" 1
689 1 65 ILE H 1 70 LEU HG . . 4.430 3.365 2.864 3.618 . 0 0 "[ . 1 . 2]" 1
690 1 20 GLY H 1 87 SER HA . . 3.530 2.474 1.897 2.997 . 0 0 "[ . 1 . 2]" 1
691 1 98 CYS HA 1 99 PRO HG2 . . 5.020 4.373 4.149 4.558 . 0 0 "[ . 1 . 2]" 1
692 1 45 LEU H 1 45 LEU HG . . 4.910 4.515 4.423 4.628 . 0 0 "[ . 1 . 2]" 1
693 1 35 LEU HA 1 35 LEU HG . . 4.230 2.909 2.276 3.714 . 0 0 "[ . 1 . 2]" 1
694 1 13 VAL HB 1 93 LEU HG . . 4.790 4.438 3.945 4.765 . 0 0 "[ . 1 . 2]" 1
695 1 75 LEU HA 1 78 CYS HB2 . . 3.800 2.966 2.821 3.148 . 0 0 "[ . 1 . 2]" 1
696 1 75 LEU HA 1 78 CYS HG . . 3.810 3.391 2.688 3.777 . 0 0 "[ . 1 . 2]" 1
697 1 75 LEU HA 1 78 CYS HB3 . . 5.500 4.594 4.454 4.715 . 0 0 "[ . 1 . 2]" 1
698 1 75 LEU HA 1 75 LEU HG . . 3.920 3.204 3.081 3.347 . 0 0 "[ . 1 . 2]" 1
699 1 75 LEU HA 1 75 LEU MD1 . . 4.010 2.254 1.969 2.622 . 0 0 "[ . 1 . 2]" 1
700 1 75 LEU HA 1 78 CYS H . . 4.170 3.477 3.320 3.676 . 0 0 "[ . 1 . 2]" 1
701 1 79 GLN HA 1 82 VAL MG1 . . 3.820 1.993 1.899 2.185 . 0 0 "[ . 1 . 2]" 1
702 1 23 LEU HG 1 50 ALA MB . . 4.420 4.068 3.912 4.229 . 0 0 "[ . 1 . 2]" 1
703 1 23 LEU H 1 23 LEU HG . . 4.550 4.074 4.037 4.142 . 0 0 "[ . 1 . 2]" 1
704 1 23 LEU HG 1 82 VAL MG2 . . 4.280 3.999 3.848 4.165 . 0 0 "[ . 1 . 2]" 1
705 1 23 LEU HG 1 25 VAL MG2 . . 4.150 3.804 3.686 3.875 . 0 0 "[ . 1 . 2]" 1
706 1 36 LEU H 1 36 LEU HG . . 4.280 3.284 1.916 4.268 . 0 0 "[ . 1 . 2]" 1
707 1 52 ARG HA 1 52 ARG HD2 . . 5.500 4.892 4.500 5.511 0.011 14 0 "[ . 1 . 2]" 1
708 1 52 ARG HA 1 52 ARG HD3 . . 5.500 5.256 4.601 5.524 0.024 15 0 "[ . 1 . 2]" 1
709 1 19 ARG HA 1 20 GLY H . . 2.970 2.146 2.144 2.153 . 0 0 "[ . 1 . 2]" 1
710 1 19 ARG HA 1 87 SER HA . . 4.120 3.672 3.003 4.124 0.004 6 0 "[ . 1 . 2]" 1
711 1 19 ARG HA 1 19 ARG HG2 . . 3.920 3.217 2.943 3.716 . 0 0 "[ . 1 . 2]" 1
712 1 11 ARG H 1 11 ARG HG2 . . 5.500 4.626 4.189 4.969 . 0 0 "[ . 1 . 2]" 1
713 1 11 ARG H 1 11 ARG HG3 . . 5.500 4.673 4.302 5.031 . 0 0 "[ . 1 . 2]" 1
714 1 75 LEU HG 1 79 GLN HG2 . . 5.300 3.617 2.348 4.238 . 0 0 "[ . 1 . 2]" 1
715 1 75 LEU HG 1 79 GLN HG3 . . 5.300 2.487 2.021 4.433 . 0 0 "[ . 1 . 2]" 1
716 1 75 LEU HG 1 78 CYS HB2 . . 5.240 4.433 4.132 4.953 . 0 0 "[ . 1 . 2]" 1
717 1 27 LEU MD1 1 78 CYS HB2 . . 3.730 3.354 3.024 3.656 . 0 0 "[ . 1 . 2]" 1
718 1 70 LEU MD2 1 78 CYS HB3 . . 4.340 3.979 3.646 4.340 0.000 14 0 "[ . 1 . 2]" 1
719 1 27 LEU MD1 1 78 CYS HB3 . . 3.540 2.514 2.071 2.832 . 0 0 "[ . 1 . 2]" 1
720 1 78 CYS HB3 1 79 GLN H . . 4.210 3.738 3.525 3.935 . 0 0 "[ . 1 . 2]" 1
721 1 69 SER HA 1 70 LEU H . . 3.100 2.168 2.138 2.257 . 0 0 "[ . 1 . 2]" 1
722 1 84 GLU HA 1 86 LYS H . . 4.380 3.792 3.460 4.183 . 0 0 "[ . 1 . 2]" 1
723 1 84 GLU HA 1 84 GLU HG2 . . 4.110 2.854 2.334 3.937 . 0 0 "[ . 1 . 2]" 1
724 1 84 GLU HA 1 84 GLU HG3 . . 4.110 3.310 2.651 3.709 . 0 0 "[ . 1 . 2]" 1
725 1 95 ILE H 1 95 ILE HG13 . . 3.710 2.276 1.979 2.811 . 0 0 "[ . 1 . 2]" 1
726 1 11 ARG HB2 1 95 ILE HG13 . . 4.150 3.666 2.675 4.032 . 0 0 "[ . 1 . 2]" 1
727 1 11 ARG HB3 1 95 ILE HG13 . . 4.180 2.491 2.000 3.201 . 0 0 "[ . 1 . 2]" 1
728 1 95 ILE H 1 95 ILE HG12 . . 3.760 3.337 2.388 3.738 . 0 0 "[ . 1 . 2]" 1
729 1 11 ARG HB3 1 95 ILE HG12 . . 4.400 3.581 2.314 4.147 . 0 0 "[ . 1 . 2]" 1
730 1 53 SER HG 1 56 LEU MD1 . . 4.410 2.583 1.976 3.295 . 0 0 "[ . 1 . 2]" 1
731 1 50 ALA HA 1 56 LEU MD1 . . 3.520 2.985 2.645 3.393 . 0 0 "[ . 1 . 2]" 1
732 1 44 LEU MD1 1 51 GLU HG2 . . 4.390 3.642 2.865 4.102 . 0 0 "[ . 1 . 2]" 1
733 1 44 LEU MD1 1 51 GLU HG3 . . 4.390 4.136 3.558 4.389 . 0 0 "[ . 1 . 2]" 1
734 1 44 LEU HB2 1 44 LEU MD1 . . 3.260 2.413 2.309 2.503 . 0 0 "[ . 1 . 2]" 1
735 1 62 LEU HB3 1 62 LEU MD2 . . 3.480 2.133 2.026 2.221 . 0 0 "[ . 1 . 2]" 1
736 1 33 GLY HA2 1 34 SER HA . . 4.850 4.441 4.297 4.686 . 0 0 "[ . 1 . 2]" 1
737 1 46 HIS HA 1 48 GLY H . . 4.530 3.818 3.694 4.009 . 0 0 "[ . 1 . 2]" 1
738 1 15 LEU MD1 1 49 PRO HB2 . . 3.900 3.525 3.125 3.899 . 0 0 "[ . 1 . 2]" 1
739 1 15 LEU HB2 1 15 LEU MD1 . . 3.660 2.217 2.000 2.290 . 0 0 "[ . 1 . 2]" 1
740 1 13 VAL H 1 94 SER HA . . 4.440 3.596 3.307 3.842 . 0 0 "[ . 1 . 2]" 1
741 1 12 GLU HA 1 94 SER HA . . 3.520 3.120 2.618 3.524 0.004 11 0 "[ . 1 . 2]" 1
742 1 13 VAL MG2 1 94 SER HA . . 4.950 4.216 3.710 4.698 . 0 0 "[ . 1 . 2]" 1
743 1 94 SER HA 1 95 ILE MG . . 5.150 3.729 3.485 3.884 . 0 0 "[ . 1 . 2]" 1
744 1 29 GLU H 1 75 LEU MD1 . . 4.170 3.417 2.954 3.771 . 0 0 "[ . 1 . 2]" 1
745 1 75 LEU MD1 1 79 GLN HE21 . . 4.720 3.174 2.306 3.969 . 0 0 "[ . 1 . 2]" 1
746 1 29 GLU HG3 1 75 LEU MD1 . . 5.500 3.975 2.855 5.500 . 0 0 "[ . 1 . 2]" 1
747 1 75 LEU MD1 1 79 GLN HB2 . . 4.810 4.064 3.694 4.364 . 0 0 "[ . 1 . 2]" 1
748 1 29 GLU HB2 1 75 LEU MD1 . . 5.430 4.100 2.744 5.341 . 0 0 "[ . 1 . 2]" 1
749 1 75 LEU HB2 1 75 LEU MD1 . . 3.630 2.272 2.117 2.397 . 0 0 "[ . 1 . 2]" 1
750 1 75 LEU HB3 1 75 LEU MD1 . . 3.630 3.178 3.155 3.195 . 0 0 "[ . 1 . 2]" 1
751 1 27 LEU MD1 1 79 GLN HA . . 3.840 3.712 3.503 3.843 0.003 18 0 "[ . 1 . 2]" 1
752 1 27 LEU MD1 1 39 ALA MB . . 3.420 3.210 2.883 3.419 . 0 0 "[ . 1 . 2]" 1
753 1 27 LEU HB3 1 27 LEU MD1 . . 3.440 2.618 2.521 2.685 . 0 0 "[ . 1 . 2]" 1
754 1 62 LEU HA 1 95 ILE HA . . 3.810 3.032 2.723 3.249 . 0 0 "[ . 1 . 2]" 1
755 1 63 THR MG 1 95 ILE HA . . 4.280 2.440 2.246 2.599 . 0 0 "[ . 1 . 2]" 1
756 1 95 ILE HA 1 95 ILE MG . . 3.370 2.372 2.262 2.478 . 0 0 "[ . 1 . 2]" 1
757 1 15 LEU MD2 1 53 SER HG . . 4.300 3.421 3.075 3.729 . 0 0 "[ . 1 . 2]" 1
758 1 15 LEU MD2 1 53 SER HB2 . . 3.510 2.970 2.617 3.384 . 0 0 "[ . 1 . 2]" 1
759 1 70 LEU HA 1 70 LEU MD1 . . 4.220 3.838 3.748 3.908 . 0 0 "[ . 1 . 2]" 1
760 1 70 LEU MD1 1 78 CYS HA . . 3.980 2.300 2.014 2.703 . 0 0 "[ . 1 . 2]" 1
761 1 70 LEU MD1 1 78 CYS HB3 . . 4.090 2.807 2.388 3.254 . 0 0 "[ . 1 . 2]" 1
762 1 70 LEU HB3 1 70 LEU MD1 . . 3.310 2.308 2.145 2.504 . 0 0 "[ . 1 . 2]" 1
763 1 70 LEU MD1 1 81 ALA MB . . 3.050 2.664 2.258 3.046 . 0 0 "[ . 1 . 2]" 1
764 1 70 LEU HB2 1 70 LEU MD1 . . 3.290 2.345 2.185 2.479 . 0 0 "[ . 1 . 2]" 1
765 1 86 LYS HA 1 86 LYS HG2 . . 3.940 2.954 2.843 3.123 . 0 0 "[ . 1 . 2]" 1
766 1 20 GLY HA2 1 86 LYS HG3 . . 4.290 3.852 3.621 4.054 . 0 0 "[ . 1 . 2]" 1
767 1 73 LEU H 1 73 LEU MD1 . . 4.450 3.967 3.495 4.402 . 0 0 "[ . 1 . 2]" 1
768 1 70 LEU HA 1 73 LEU MD1 . . 3.220 2.063 1.815 2.464 . 0 0 "[ . 1 . 2]" 1
769 1 70 LEU HB3 1 73 LEU MD1 . . 4.260 3.761 3.345 4.131 . 0 0 "[ . 1 . 2]" 1
770 1 73 LEU MD1 1 74 PRO HD2 . . 4.330 3.798 3.602 4.024 . 0 0 "[ . 1 . 2]" 1
771 1 73 LEU MD1 1 77 ALA MB . . 3.160 2.429 2.130 2.773 . 0 0 "[ . 1 . 2]" 1
772 1 16 GLU HA 1 90 SER HA . . 3.560 2.702 2.155 3.048 . 0 0 "[ . 1 . 2]" 1
773 1 73 LEU HB3 1 73 LEU MD1 . . 2.940 2.448 2.320 2.593 . 0 0 "[ . 1 . 2]" 1
774 1 62 LEU MD1 1 63 THR H . . 4.340 4.090 3.777 4.284 . 0 0 "[ . 1 . 2]" 1
775 1 62 LEU MD1 1 64 ALA H . . 4.260 3.980 3.684 4.215 . 0 0 "[ . 1 . 2]" 1
776 1 62 LEU MD1 1 93 LEU HA . . 4.290 3.448 2.879 3.935 . 0 0 "[ . 1 . 2]" 1
777 1 13 VAL HB 1 56 LEU MD2 . . 3.910 2.676 2.206 3.238 . 0 0 "[ . 1 . 2]" 1
778 1 56 LEU MD2 1 57 SER H . . 4.290 4.139 3.881 4.288 . 0 0 "[ . 1 . 2]" 1
779 1 45 LEU MD1 1 48 GLY H . . 4.880 4.559 2.825 4.864 . 0 0 "[ . 1 . 2]" 1
780 1 56 LEU H 1 56 LEU MD2 . . 5.130 3.610 3.375 3.899 . 0 0 "[ . 1 . 2]" 1
781 1 23 LEU HA 1 23 LEU MD1 . . 4.090 3.821 3.806 3.833 . 0 0 "[ . 1 . 2]" 1
782 1 23 LEU MD1 1 82 VAL HA . . 4.450 2.930 2.588 3.336 . 0 0 "[ . 1 . 2]" 1
783 1 23 LEU HA 1 49 PRO HG3 . . 4.480 2.867 2.633 3.143 . 0 0 "[ . 1 . 2]" 1
784 1 23 LEU HA 1 49 PRO HB2 . . 4.950 4.552 4.227 4.811 . 0 0 "[ . 1 . 2]" 1
785 1 23 LEU HA 1 23 LEU HG . . 3.900 2.601 2.530 2.710 . 0 0 "[ . 1 . 2]" 1
786 1 17 LYS HD3 1 23 LEU HA . . 4.030 3.380 3.136 3.657 . 0 0 "[ . 1 . 2]" 1
787 1 45 LEU HA 1 45 LEU MD1 . . 4.180 3.609 2.907 3.764 . 0 0 "[ . 1 . 2]" 1
788 1 24 GLY HA2 1 45 LEU MD1 . . 4.430 3.831 3.105 4.427 . 0 0 "[ . 1 . 2]" 1
789 1 23 LEU MD2 1 49 PRO HD2 . . 4.580 3.608 3.412 3.793 . 0 0 "[ . 1 . 2]" 1
790 1 93 LEU MD2 1 94 SER H . . 4.190 3.462 3.216 3.765 . 0 0 "[ . 1 . 2]" 1
791 1 93 LEU HA 1 93 LEU MD2 . . 3.180 2.036 1.942 2.224 . 0 0 "[ . 1 . 2]" 1
792 1 35 LEU HA 1 35 LEU MD1 . . 4.320 2.981 1.947 4.121 . 0 0 "[ . 1 . 2]" 1
793 1 23 LEU MD2 1 85 THR HB . . 5.210 5.042 4.697 5.206 . 0 0 "[ . 1 . 2]" 1
794 1 23 LEU HA 1 23 LEU MD2 . . 3.090 2.386 2.081 2.584 . 0 0 "[ . 1 . 2]" 1
795 1 17 LYS HE2 1 23 LEU MD2 . . 4.130 3.717 3.300 3.961 . 0 0 "[ . 1 . 2]" 1
796 1 17 LYS HE3 1 23 LEU MD2 . . 5.170 4.923 4.589 5.174 0.004 13 0 "[ . 1 . 2]" 1
797 1 17 LYS HB3 1 23 LEU MD2 . . 4.840 4.501 4.162 4.790 . 0 0 "[ . 1 . 2]" 1
798 1 23 LEU MD2 1 49 PRO HG3 . . 5.010 3.584 3.373 3.826 . 0 0 "[ . 1 . 2]" 1
799 1 23 LEU MD2 1 49 PRO HB2 . . 3.730 3.688 3.446 3.735 0.005 14 0 "[ . 1 . 2]" 1
800 1 35 LEU HA 1 35 LEU MD2 . . 4.320 3.029 1.933 3.934 . 0 0 "[ . 1 . 2]" 1
801 1 45 LEU HA 1 45 LEU MD2 . . 3.490 2.934 2.025 3.145 . 0 0 "[ . 1 . 2]" 1
802 1 24 GLY HA2 1 45 LEU MD2 . . 5.500 5.051 4.323 5.423 . 0 0 "[ . 1 . 2]" 1
803 1 45 LEU MD2 1 48 GLY HA3 . . 5.500 3.906 3.191 5.431 . 0 0 "[ . 1 . 2]" 1
804 1 88 GLN HA 1 88 GLN HG3 . . 4.030 3.482 2.413 3.902 . 0 0 "[ . 1 . 2]" 1
805 1 17 LYS HB2 1 18 ARG HA . . 5.500 4.935 4.862 4.989 . 0 0 "[ . 1 . 2]" 1
806 1 18 ARG HA 1 89 THR MG . . 3.870 2.427 1.976 3.253 . 0 0 "[ . 1 . 2]" 1
807 1 76 ALA HA 1 79 GLN HG2 . . 5.120 4.800 3.799 5.119 . 0 0 "[ . 1 . 2]" 1
808 1 76 ALA HA 1 79 GLN HG3 . . 5.120 3.913 3.270 5.114 . 0 0 "[ . 1 . 2]" 1
809 1 76 ALA HA 1 79 GLN HB2 . . 3.540 2.415 2.190 2.601 . 0 0 "[ . 1 . 2]" 1
810 1 76 ALA HA 1 80 ALA H . . 4.460 4.150 4.024 4.273 . 0 0 "[ . 1 . 2]" 1
811 1 76 ALA HA 1 79 GLN HB3 . . 4.120 3.883 3.634 4.115 . 0 0 "[ . 1 . 2]" 1
812 1 50 ALA HA 1 53 SER HG . . 4.350 4.173 3.897 4.308 . 0 0 "[ . 1 . 2]" 1
813 1 15 LEU MD2 1 50 ALA HA . . 3.190 2.105 1.895 2.625 . 0 0 "[ . 1 . 2]" 1
814 1 15 LEU MD1 1 50 ALA HA . . 3.850 1.879 1.790 2.041 . 0 0 "[ . 1 . 2]" 1
815 1 27 LEU MD2 1 42 ALA H . . 4.190 3.604 3.399 3.844 . 0 0 "[ . 1 . 2]" 1
816 1 27 LEU H 1 27 LEU MD2 . . 4.040 3.827 3.658 4.000 . 0 0 "[ . 1 . 2]" 1
817 1 27 LEU MD2 1 28 VAL H . . 3.920 3.679 3.465 3.883 . 0 0 "[ . 1 . 2]" 1
818 1 27 LEU HA 1 27 LEU MD2 . . 3.070 2.478 2.311 2.668 . 0 0 "[ . 1 . 2]" 1
819 1 27 LEU MD2 1 41 ILE HA . . 3.310 2.059 1.983 2.276 . 0 0 "[ . 1 . 2]" 1
820 1 27 LEU MD2 1 41 ILE HG12 . . 3.590 2.157 1.955 2.377 . 0 0 "[ . 1 . 2]" 1
821 1 27 LEU HB3 1 27 LEU MD2 . . 3.390 2.182 2.055 2.256 . 0 0 "[ . 1 . 2]" 1
822 1 27 LEU MD2 1 41 ILE HG13 . . 3.590 2.722 2.281 2.961 . 0 0 "[ . 1 . 2]" 1
823 1 25 VAL MG2 1 82 VAL MG1 . . 3.430 3.338 3.200 3.433 0.003 10 0 "[ . 1 . 2]" 1
824 1 14 HIS HA 1 93 LEU H . . 4.330 3.603 3.469 3.775 . 0 0 "[ . 1 . 2]" 1
825 1 14 HIS HA 1 15 LEU HG . . 4.470 3.485 3.248 3.780 . 0 0 "[ . 1 . 2]" 1
826 1 14 HIS HA 1 92 THR MG . . 4.250 2.881 2.328 3.456 . 0 0 "[ . 1 . 2]" 1
827 1 12 GLU HA 1 12 GLU HG3 . . 4.200 2.438 2.206 2.659 . 0 0 "[ . 1 . 2]" 1
828 1 12 GLU HA 1 12 GLU HG2 . . 4.200 3.152 2.661 3.746 . 0 0 "[ . 1 . 2]" 1
829 1 11 ARG H 1 12 GLU HA . . 5.490 4.750 4.497 5.087 . 0 0 "[ . 1 . 2]" 1
830 1 12 GLU HA 1 13 VAL MG2 . . 4.260 3.690 3.384 3.919 . 0 0 "[ . 1 . 2]" 1
831 1 21 GLU HA 1 21 GLU HG3 . . 4.220 2.811 2.497 3.073 . 0 0 "[ . 1 . 2]" 1
832 1 21 GLU HA 1 21 GLU HG2 . . 4.220 3.645 3.244 3.867 . 0 0 "[ . 1 . 2]" 1
833 1 81 ALA HA 1 84 GLU H . . 3.940 3.343 3.137 3.592 . 0 0 "[ . 1 . 2]" 1
834 1 81 ALA HA 1 84 GLU HG2 . . 4.940 3.788 2.105 4.808 . 0 0 "[ . 1 . 2]" 1
835 1 81 ALA HA 1 84 GLU HG3 . . 4.940 3.402 2.509 4.374 . 0 0 "[ . 1 . 2]" 1
836 1 28 VAL H 1 75 LEU MD2 . . 5.090 4.864 4.579 5.055 . 0 0 "[ . 1 . 2]" 1
837 1 29 GLU H 1 75 LEU MD2 . . 4.170 3.056 2.462 3.798 . 0 0 "[ . 1 . 2]" 1
838 1 75 LEU MD2 1 79 GLN HE22 . . 4.720 3.317 1.900 4.686 . 0 0 "[ . 1 . 2]" 1
839 1 28 VAL HA 1 75 LEU MD2 . . 3.750 2.536 2.004 2.783 . 0 0 "[ . 1 . 2]" 1
840 1 75 LEU HA 1 75 LEU MD2 . . 4.010 3.938 3.827 4.022 0.012 11 0 "[ . 1 . 2]" 1
841 1 75 LEU MD2 1 79 GLN HB2 . . 4.810 4.703 4.548 4.811 0.001 20 0 "[ . 1 . 2]" 1
842 1 29 GLU HB2 1 75 LEU MD2 . . 5.430 3.363 2.093 5.024 . 0 0 "[ . 1 . 2]" 1
843 1 75 LEU HB2 1 75 LEU MD2 . . 3.630 2.452 2.248 2.600 . 0 0 "[ . 1 . 2]" 1
844 1 73 LEU H 1 73 LEU MD2 . . 4.370 4.074 3.637 4.303 . 0 0 "[ . 1 . 2]" 1
845 1 63 THR H 1 63 THR MG . . 3.560 2.534 2.176 2.698 . 0 0 "[ . 1 . 2]" 1
846 1 63 THR MG 1 95 ILE HB . . 4.450 4.367 4.138 4.455 0.005 11 0 "[ . 1 . 2]" 1
847 1 70 LEU H 1 70 LEU MD2 . . 4.430 3.765 3.432 4.003 . 0 0 "[ . 1 . 2]" 1
848 1 64 ALA HA 1 70 LEU MD2 . . 4.390 4.298 4.102 4.393 0.003 14 0 "[ . 1 . 2]" 1
849 1 70 LEU HA 1 70 LEU MD2 . . 2.970 2.014 1.956 2.125 . 0 0 "[ . 1 . 2]" 1
850 1 70 LEU MD2 1 78 CYS HA . . 3.390 2.370 1.981 2.788 . 0 0 "[ . 1 . 2]" 1
851 1 70 LEU HB3 1 70 LEU MD2 . . 3.420 2.358 2.260 2.435 . 0 0 "[ . 1 . 2]" 1
852 1 75 LEU HB3 1 75 LEU MD2 . . 3.630 2.196 2.088 2.368 . 0 0 "[ . 1 . 2]" 1
853 1 82 VAL H 1 82 VAL MG2 . . 3.970 3.753 3.720 3.788 . 0 0 "[ . 1 . 2]" 1
854 1 25 VAL H 1 82 VAL MG2 . . 4.380 4.057 3.674 4.377 . 0 0 "[ . 1 . 2]" 1
855 1 23 LEU HB2 1 82 VAL MG2 . . 3.450 3.135 2.770 3.445 . 0 0 "[ . 1 . 2]" 1
856 1 82 VAL MG2 1 83 ARG H . . 3.990 3.899 3.498 3.990 0.000 2 0 "[ . 1 . 2]" 1
857 1 79 GLN HA 1 82 VAL MG2 . . 4.620 4.478 4.309 4.611 . 0 0 "[ . 1 . 2]" 1
858 1 82 VAL HA 1 82 VAL MG2 . . 3.240 2.308 2.167 2.411 . 0 0 "[ . 1 . 2]" 1
859 1 23 LEU HB3 1 82 VAL MG2 . . 3.470 2.802 2.497 3.179 . 0 0 "[ . 1 . 2]" 1
860 1 66 ASN HD22 1 85 THR MG . . 4.290 2.608 1.800 3.743 . 0 0 "[ . 1 . 2]" 1
861 1 66 ASN HD21 1 85 THR MG . . 4.290 2.649 1.917 4.002 . 0 0 "[ . 1 . 2]" 1
862 1 82 VAL HA 1 85 THR MG . . 3.550 2.787 2.207 3.246 . 0 0 "[ . 1 . 2]" 1
863 1 19 ARG H 1 89 THR MG . . 3.610 1.967 1.807 2.273 . 0 0 "[ . 1 . 2]" 1
864 1 89 THR HA 1 89 THR MG . . 3.030 2.255 2.112 2.359 . 0 0 "[ . 1 . 2]" 1
865 1 91 VAL MG1 1 92 THR H . . 3.400 2.723 2.387 2.994 . 0 0 "[ . 1 . 2]" 1
866 1 66 ASN HD21 1 91 VAL MG1 . . 4.710 3.530 2.852 4.338 . 0 0 "[ . 1 . 2]" 1
867 1 85 THR HB 1 91 VAL MG1 . . 3.970 3.486 2.937 3.730 . 0 0 "[ . 1 . 2]" 1
868 1 91 VAL MG1 1 93 LEU HG . . 3.550 2.587 2.224 3.252 . 0 0 "[ . 1 . 2]" 1
869 1 85 THR MG 1 91 VAL MG1 . . 3.280 2.836 2.414 3.225 . 0 0 "[ . 1 . 2]" 1
870 1 25 VAL H 1 25 VAL MG1 . . 4.090 3.360 3.208 3.505 . 0 0 "[ . 1 . 2]" 1
871 1 25 VAL MG1 1 50 ALA HA . . 4.630 4.421 4.172 4.592 . 0 0 "[ . 1 . 2]" 1
872 1 64 ALA MB 1 94 SER H . . 4.530 4.480 4.270 4.542 0.012 16 0 "[ . 1 . 2]" 1
873 1 64 ALA MB 1 68 THR H . . 4.240 3.137 1.927 3.827 . 0 0 "[ . 1 . 2]" 1
874 1 64 ALA MB 1 69 SER HA . . 3.290 2.080 1.890 2.332 . 0 0 "[ . 1 . 2]" 1
875 1 63 THR HB 1 64 ALA MB . . 4.320 3.870 3.690 4.212 . 0 0 "[ . 1 . 2]" 1
876 1 19 ARG HA 1 89 THR MG . . 3.810 2.567 2.255 3.136 . 0 0 "[ . 1 . 2]" 1
877 1 64 ALA MB 1 70 LEU H . . 4.120 2.873 2.560 3.282 . 0 0 "[ . 1 . 2]" 1
878 1 64 ALA MB 1 65 ILE H . . 3.290 2.358 2.087 2.615 . 0 0 "[ . 1 . 2]" 1
879 1 92 THR MG 1 93 LEU H . . 3.620 3.010 2.697 3.207 . 0 0 "[ . 1 . 2]" 1
880 1 13 VAL H 1 92 THR MG . . 4.350 2.871 2.546 3.420 . 0 0 "[ . 1 . 2]" 1
881 1 92 THR H 1 92 THR MG . . 4.160 3.848 3.816 3.877 . 0 0 "[ . 1 . 2]" 1
882 1 92 THR HA 1 92 THR MG . . 3.310 2.330 2.165 2.449 . 0 0 "[ . 1 . 2]" 1
883 1 12 GLU HG2 1 92 THR MG . . 3.880 2.440 1.928 3.139 . 0 0 "[ . 1 . 2]" 1
884 1 13 VAL HB 1 92 THR MG . . 5.310 4.469 4.080 4.912 . 0 0 "[ . 1 . 2]" 1
885 1 26 ALA MB 1 27 LEU H . . 3.530 3.362 3.280 3.389 . 0 0 "[ . 1 . 2]" 1
886 1 26 ALA H 1 26 ALA MB . . 3.160 2.436 2.361 2.600 . 0 0 "[ . 1 . 2]" 1
887 1 26 ALA MB 1 43 ASN H . . 3.460 1.980 1.888 2.139 . 0 0 "[ . 1 . 2]" 1
888 1 26 ALA MB 1 43 ASN HB2 . . 3.530 2.868 1.947 3.524 . 0 0 "[ . 1 . 2]" 1
889 1 26 ALA MB 1 42 ALA H . . 4.450 3.653 3.525 3.756 . 0 0 "[ . 1 . 2]" 1
890 1 10 CYS HA 1 96 VAL MG1 . . 5.040 4.123 3.559 4.918 . 0 0 "[ . 1 . 2]" 1
891 1 10 CYS HA 1 96 VAL MG2 . . 5.040 3.827 3.042 4.983 . 0 0 "[ . 1 . 2]" 1
892 1 90 SER H 1 91 VAL MG2 . . 4.200 3.627 3.397 3.920 . 0 0 "[ . 1 . 2]" 1
893 1 90 SER HA 1 91 VAL MG2 . . 4.360 3.651 3.338 4.076 . 0 0 "[ . 1 . 2]" 1
894 1 91 VAL H 1 91 VAL MG2 . . 3.680 3.094 2.772 3.344 . 0 0 "[ . 1 . 2]" 1
895 1 17 LYS QZ 1 91 VAL MG2 . . 4.440 2.071 1.840 2.511 . 0 0 "[ . 1 . 2]" 1
896 1 17 LYS HB3 1 91 VAL MG2 . . 4.070 3.537 2.894 3.857 . 0 0 "[ . 1 . 2]" 1
897 1 55 ALA MB 1 56 LEU H . . 3.770 2.787 2.367 3.293 . 0 0 "[ . 1 . 2]" 1
898 1 54 GLY HA3 1 55 ALA MB . . 4.450 4.387 4.298 4.445 . 0 0 "[ . 1 . 2]" 1
899 1 42 ALA H 1 42 ALA MB . . 3.200 2.148 2.062 2.302 . 0 0 "[ . 1 . 2]" 1
900 1 28 VAL H 1 42 ALA MB . . 3.980 3.631 3.248 3.942 . 0 0 "[ . 1 . 2]" 1
901 1 28 VAL HB 1 42 ALA MB . . 3.730 3.625 3.499 3.733 0.003 18 0 "[ . 1 . 2]" 1
902 1 42 ALA MB 1 43 ASN H . . 3.530 2.595 2.345 2.726 . 0 0 "[ . 1 . 2]" 1
903 1 27 LEU HA 1 42 ALA MB . . 4.170 3.158 2.940 3.336 . 0 0 "[ . 1 . 2]" 1
904 1 38 THR MG 1 39 ALA H . . 3.960 3.749 3.471 3.922 . 0 0 "[ . 1 . 2]" 1
905 1 40 VAL H 1 40 VAL MG2 . . 3.490 2.710 2.562 2.897 . 0 0 "[ . 1 . 2]" 1
906 1 30 SER H 1 40 VAL MG2 . . 4.360 3.706 3.112 4.266 . 0 0 "[ . 1 . 2]" 1
907 1 40 VAL MG2 1 61 ARG HA . . 4.170 3.254 2.955 3.532 . 0 0 "[ . 1 . 2]" 1
908 1 30 SER HA 1 40 VAL MG2 . . 4.450 4.304 3.774 4.455 0.005 10 0 "[ . 1 . 2]" 1
909 1 27 LEU HA 1 42 ALA H . . 3.790 2.017 1.910 2.247 . 0 0 "[ . 1 . 2]" 1
910 1 27 LEU HA 1 41 ILE HA . . 3.850 2.241 2.109 2.448 . 0 0 "[ . 1 . 2]" 1
911 1 27 LEU HA 1 28 VAL MG2 . . 4.270 3.227 3.039 3.596 . 0 0 "[ . 1 . 2]" 1
912 1 27 LEU HA 1 41 ILE MG . . 4.390 3.763 3.536 3.960 . 0 0 "[ . 1 . 2]" 1
913 1 65 ILE HA 1 93 LEU HA . . 3.680 3.283 2.922 3.548 . 0 0 "[ . 1 . 2]" 1
914 1 28 VAL H 1 28 VAL MG1 . . 3.720 3.341 3.158 3.484 . 0 0 "[ . 1 . 2]" 1
915 1 28 VAL MG1 1 42 ALA MB . . 2.990 1.762 1.669 1.877 . 0 0 "[ . 1 . 2]" 1
916 1 40 VAL MG1 1 59 GLY HA3 . . 4.200 3.970 3.767 4.057 . 0 0 "[ . 1 . 2]" 1
917 1 40 VAL MG1 1 59 GLY HA2 . . 3.520 2.658 2.421 2.741 . 0 0 "[ . 1 . 2]" 1
918 1 40 VAL H 1 40 VAL MG1 . . 4.280 3.905 3.846 3.976 . 0 0 "[ . 1 . 2]" 1
919 1 40 VAL MG1 1 61 ARG HA . . 3.960 3.587 3.250 3.903 . 0 0 "[ . 1 . 2]" 1
920 1 30 SER HB2 1 40 VAL MG1 . . 5.300 4.200 3.557 5.206 . 0 0 "[ . 1 . 2]" 1
921 1 30 SER HB3 1 40 VAL MG1 . . 5.300 4.672 4.207 5.258 . 0 0 "[ . 1 . 2]" 1
922 1 64 ALA HA 1 69 SER HA . . 3.640 3.032 2.386 3.553 . 0 0 "[ . 1 . 2]" 1
923 1 64 ALA HA 1 70 LEU HG . . 3.440 2.785 2.602 3.007 . 0 0 "[ . 1 . 2]" 1
924 1 64 ALA HA 1 70 LEU MD1 . . 4.060 3.289 2.655 3.932 . 0 0 "[ . 1 . 2]" 1
925 1 71 VAL HA 1 71 VAL MG2 . . 3.260 2.335 2.135 2.477 . 0 0 "[ . 1 . 2]" 1
926 1 13 VAL MG1 1 53 SER HB3 . . 4.270 3.570 3.225 3.892 . 0 0 "[ . 1 . 2]" 1
927 1 13 VAL MG1 1 55 ALA MB . . 3.200 3.023 2.632 3.199 . 0 0 "[ . 1 . 2]" 1
928 1 17 LYS HG3 1 90 SER H . . 4.950 4.828 4.540 4.952 0.002 13 0 "[ . 1 . 2]" 1
929 1 17 LYS HG3 1 17 LYS QZ . . 4.560 4.101 4.038 4.120 . 0 0 "[ . 1 . 2]" 1
930 1 17 LYS HG2 1 17 LYS QZ . . 4.560 3.731 3.651 3.765 . 0 0 "[ . 1 . 2]" 1
931 1 25 VAL MG2 1 50 ALA MB . . 3.670 3.457 3.251 3.640 . 0 0 "[ . 1 . 2]" 1
932 1 23 LEU HB3 1 25 VAL MG2 . . 3.890 2.011 1.957 2.188 . 0 0 "[ . 1 . 2]" 1
933 1 42 ALA HA 1 58 ILE MG . . 3.400 3.176 2.724 3.396 . 0 0 "[ . 1 . 2]" 1
934 1 41 ILE MG 1 42 ALA HA . . 4.240 4.178 3.863 4.242 0.002 18 0 "[ . 1 . 2]" 1
935 1 39 ALA MB 1 40 VAL H . . 3.750 3.206 2.936 3.445 . 0 0 "[ . 1 . 2]" 1
936 1 39 ALA H 1 39 ALA MB . . 3.350 2.254 2.108 2.338 . 0 0 "[ . 1 . 2]" 1
937 1 39 ALA MB 1 62 LEU H . . 3.720 2.812 2.437 3.232 . 0 0 "[ . 1 . 2]" 1
938 1 39 ALA MB 1 78 CYS HB2 . . 4.600 4.045 3.680 4.471 . 0 0 "[ . 1 . 2]" 1
939 1 39 ALA MB 1 78 CYS HB3 . . 3.990 3.611 3.225 3.967 . 0 0 "[ . 1 . 2]" 1
940 1 39 ALA MB 1 62 LEU HB2 . . 4.140 3.564 3.120 3.966 . 0 0 "[ . 1 . 2]" 1
941 1 27 LEU MD2 1 39 ALA MB . . 3.250 2.875 2.547 3.152 . 0 0 "[ . 1 . 2]" 1
942 1 39 ALA MB 1 62 LEU MD2 . . 3.400 2.440 1.873 2.813 . 0 0 "[ . 1 . 2]" 1
943 1 101 VAL H 1 101 VAL MG2 . . 4.260 2.588 1.857 3.907 . 0 0 "[ . 1 . 2]" 1
944 1 50 ALA MB 1 51 GLU H . . 3.510 2.730 2.544 2.980 . 0 0 "[ . 1 . 2]" 1
945 1 49 PRO HB2 1 50 ALA MB . . 4.330 4.163 4.044 4.258 . 0 0 "[ . 1 . 2]" 1
946 1 23 LEU HB3 1 50 ALA MB . . 4.650 4.439 4.144 4.636 . 0 0 "[ . 1 . 2]" 1
947 1 50 ALA MB 1 56 LEU HB2 . . 4.870 3.882 3.518 4.070 . 0 0 "[ . 1 . 2]" 1
948 1 50 ALA MB 1 56 LEU MD1 . . 2.710 2.619 2.452 2.709 . 0 0 "[ . 1 . 2]" 1
949 1 28 VAL MG2 1 40 VAL H . . 4.390 3.481 2.732 3.750 . 0 0 "[ . 1 . 2]" 1
950 1 28 VAL MG2 1 29 GLU H . . 3.670 3.366 3.037 3.667 . 0 0 "[ . 1 . 2]" 1
951 1 28 VAL MG2 1 42 ALA HA . . 3.550 2.842 2.584 3.162 . 0 0 "[ . 1 . 2]" 1
952 1 28 VAL MG2 1 42 ALA MB . . 3.100 1.878 1.776 2.008 . 0 0 "[ . 1 . 2]" 1
953 1 77 ALA MB 1 78 CYS H . . 3.550 2.426 2.317 2.627 . 0 0 "[ . 1 . 2]" 1
954 1 74 PRO HD3 1 77 ALA MB . . 4.090 3.962 3.852 4.092 0.002 14 0 "[ . 1 . 2]" 1
955 1 74 PRO HD2 1 77 ALA MB . . 3.290 2.484 2.344 2.652 . 0 0 "[ . 1 . 2]" 1
956 1 77 ALA MB 1 78 CYS HG . . 4.150 3.131 2.737 3.747 . 0 0 "[ . 1 . 2]" 1
957 1 73 LEU HB3 1 74 PRO HD3 . . 3.900 3.479 3.445 3.544 . 0 0 "[ . 1 . 2]" 1
958 1 73 LEU MD2 1 74 PRO HD3 . . 3.890 2.805 2.367 3.159 . 0 0 "[ . 1 . 2]" 1
959 1 99 PRO HA 1 100 PRO HD3 . . 3.340 2.295 2.262 2.367 . 0 0 "[ . 1 . 2]" 1
960 1 73 LEU HB3 1 74 PRO HD2 . . 3.550 2.040 2.000 2.113 . 0 0 "[ . 1 . 2]" 1
961 1 73 LEU MD2 1 74 PRO HD2 . . 3.840 2.096 1.842 2.366 . 0 0 "[ . 1 . 2]" 1
962 1 36 LEU HA 1 37 PRO HD2 . . 3.150 2.290 1.915 2.486 . 0 0 "[ . 1 . 2]" 1
963 1 98 CYS HA 1 99 PRO HD2 . . 3.360 2.232 1.953 2.456 . 0 0 "[ . 1 . 2]" 1
964 1 95 ILE H 1 95 ILE MG . . 3.710 2.835 2.658 3.025 . 0 0 "[ . 1 . 2]" 1
965 1 62 LEU HA 1 95 ILE MG . . 3.740 2.179 1.976 2.772 . 0 0 "[ . 1 . 2]" 1
966 1 60 ASP HB2 1 95 ILE MG . . 4.310 3.244 2.702 3.776 . 0 0 "[ . 1 . 2]" 1
967 1 93 LEU HB2 1 95 ILE MG . . 5.010 4.035 3.777 4.299 . 0 0 "[ . 1 . 2]" 1
968 1 93 LEU HB3 1 95 ILE MG . . 3.550 3.207 2.875 3.474 . 0 0 "[ . 1 . 2]" 1
969 1 76 ALA MB 1 78 CYS H . . 4.830 4.624 4.445 4.753 . 0 0 "[ . 1 . 2]" 1
970 1 74 PRO HB3 1 76 ALA MB . . 4.560 4.358 4.260 4.532 . 0 0 "[ . 1 . 2]" 1
971 1 74 PRO HB2 1 76 ALA MB . . 3.990 2.883 2.711 3.130 . 0 0 "[ . 1 . 2]" 1
972 1 48 GLY HA2 1 49 PRO HD2 . . 3.510 2.708 2.647 2.857 . 0 0 "[ . 1 . 2]" 1
973 1 24 GLY HA3 1 49 PRO HD2 . . 4.570 2.987 2.721 3.307 . 0 0 "[ . 1 . 2]" 1
974 1 24 GLY HA3 1 49 PRO HD3 . . 4.870 4.408 4.179 4.660 . 0 0 "[ . 1 . 2]" 1
975 1 80 ALA H 1 80 ALA MB . . 2.830 2.178 2.055 2.281 . 0 0 "[ . 1 . 2]" 1
976 1 77 ALA HA 1 80 ALA MB . . 3.170 2.884 2.682 3.130 . 0 0 "[ . 1 . 2]" 1
977 1 81 ALA MB 1 82 VAL HB . . 4.500 4.014 3.816 4.254 . 0 0 "[ . 1 . 2]" 1
978 1 80 ALA H 1 81 ALA MB . . 4.370 4.112 3.897 4.265 . 0 0 "[ . 1 . 2]" 1
979 1 81 ALA MB 1 82 VAL MG1 . . 4.210 4.113 3.942 4.212 0.002 18 0 "[ . 1 . 2]" 1
980 1 70 LEU MD2 1 81 ALA MB . . 2.940 2.398 2.030 2.694 . 0 0 "[ . 1 . 2]" 1
981 1 41 ILE MG 1 42 ALA H . . 3.710 2.903 2.386 3.089 . 0 0 "[ . 1 . 2]" 1
982 1 41 ILE MG 1 59 GLY H . . 4.020 3.281 2.896 3.570 . 0 0 "[ . 1 . 2]" 1
983 1 41 ILE H 1 41 ILE MG . . 4.240 3.768 3.754 3.796 . 0 0 "[ . 1 . 2]" 1
984 1 26 ALA H 1 41 ILE MG . . 4.260 3.097 2.879 3.314 . 0 0 "[ . 1 . 2]" 1
985 1 41 ILE MG 1 43 ASN H . . 3.420 2.509 2.268 2.724 . 0 0 "[ . 1 . 2]" 1
986 1 41 ILE HA 1 41 ILE MG . . 3.330 2.352 2.267 2.415 . 0 0 "[ . 1 . 2]" 1
987 1 41 ILE MG 1 58 ILE HA . . 3.310 2.118 1.981 2.520 . 0 0 "[ . 1 . 2]" 1
988 1 26 ALA MB 1 41 ILE MG . . 3.590 3.577 3.511 3.596 0.006 15 0 "[ . 1 . 2]" 1
989 1 58 ILE MG 1 59 GLY H . . 3.490 2.514 2.097 2.890 . 0 0 "[ . 1 . 2]" 1
990 1 58 ILE H 1 58 ILE MG . . 3.820 3.765 3.703 3.790 . 0 0 "[ . 1 . 2]" 1
991 1 58 ILE MG 1 59 GLY HA3 . . 4.190 3.703 3.499 4.127 . 0 0 "[ . 1 . 2]" 1
992 1 58 ILE HA 1 58 ILE MG . . 3.290 2.384 2.211 2.457 . 0 0 "[ . 1 . 2]" 1
993 1 58 ILE MG 1 59 GLY HA2 . . 4.170 3.287 3.104 3.659 . 0 0 "[ . 1 . 2]" 1
994 1 42 ALA MB 1 58 ILE MG . . 4.330 4.172 3.860 4.294 . 0 0 "[ . 1 . 2]" 1
995 1 65 ILE MG 1 66 ASN HD22 . . 4.190 2.763 1.922 3.573 . 0 0 "[ . 1 . 2]" 1
996 1 65 ILE MG 1 66 ASN HD21 . . 4.190 2.124 1.728 3.344 . 0 0 "[ . 1 . 2]" 1
997 1 65 ILE HA 1 65 ILE MG . . 3.530 2.442 2.278 2.531 . 0 0 "[ . 1 . 2]" 1
998 1 65 ILE MG 1 66 ASN HB2 . . 4.730 3.106 2.352 4.436 . 0 0 "[ . 1 . 2]" 1
999 1 20 GLY HA2 1 86 LYS HD3 . . 4.900 3.722 2.801 4.082 . 0 0 "[ . 1 . 2]" 1
1000 1 20 GLY HA2 1 86 LYS HE2 . . 4.980 3.091 2.647 3.714 . 0 0 "[ . 1 . 2]" 1
1001 1 21 GLU HB3 1 86 LYS HG2 . . 5.500 5.319 4.926 5.508 0.008 11 0 "[ . 1 . 2]" 1
1002 1 17 LYS HD3 1 49 PRO HB2 . . 4.970 4.952 4.815 4.972 0.002 20 0 "[ . 1 . 2]" 1
1003 1 21 GLU H 1 21 GLU HG2 . . 4.780 4.575 4.227 4.768 . 0 0 "[ . 1 . 2]" 1
1004 1 18 ARG H 1 21 GLU HG2 . . 4.930 3.095 2.522 3.743 . 0 0 "[ . 1 . 2]" 1
1005 1 22 GLY HA3 1 86 LYS HG3 . . 4.810 3.813 3.482 4.122 . 0 0 "[ . 1 . 2]" 1
1006 1 22 GLY HA3 1 23 LEU HB2 . . 5.500 5.350 5.269 5.428 . 0 0 "[ . 1 . 2]" 1
1007 1 22 GLY HA3 1 86 LYS HD2 . . 5.500 4.832 3.933 5.460 . 0 0 "[ . 1 . 2]" 1
1008 1 23 LEU HA 1 49 PRO HB3 . . 5.450 5.030 4.820 5.302 . 0 0 "[ . 1 . 2]" 1
1009 1 17 LYS HE3 1 23 LEU HA . . 4.800 4.645 4.310 4.802 0.002 20 0 "[ . 1 . 2]" 1
1010 1 22 GLY HA2 1 23 LEU HA . . 5.420 4.391 4.352 4.444 . 0 0 "[ . 1 . 2]" 1
1011 1 23 LEU HA 1 24 GLY HA3 . . 5.500 4.593 4.573 4.612 . 0 0 "[ . 1 . 2]" 1
1012 1 23 LEU HB2 1 25 VAL MG2 . . 4.530 3.429 3.333 3.497 . 0 0 "[ . 1 . 2]" 1
1013 1 23 LEU HB2 1 23 LEU MD1 . . 3.370 2.358 2.266 2.494 . 0 0 "[ . 1 . 2]" 1
1014 1 23 LEU MD1 1 25 VAL H . . 4.640 4.552 4.407 4.647 0.007 18 0 "[ . 1 . 2]" 1
1015 1 24 GLY HA2 1 45 LEU H . . 4.650 4.431 3.762 4.647 . 0 0 "[ . 1 . 2]" 1
1016 1 24 GLY HA3 1 45 LEU H . . 4.880 4.194 3.675 4.455 . 0 0 "[ . 1 . 2]" 1
1017 1 24 GLY HA3 1 50 ALA H . . 5.270 4.462 3.969 5.026 . 0 0 "[ . 1 . 2]" 1
1018 1 23 LEU MD2 1 24 GLY HA3 . . 4.830 4.019 3.800 4.175 . 0 0 "[ . 1 . 2]" 1
1019 1 24 GLY HA3 1 45 LEU MD1 . . 5.500 4.050 3.671 4.454 . 0 0 "[ . 1 . 2]" 1
1020 1 40 VAL HA 1 40 VAL MG1 . . 3.520 2.272 2.132 2.417 . 0 0 "[ . 1 . 2]" 1
1021 1 25 VAL HB 1 50 ALA MB . . 4.630 4.373 4.132 4.601 . 0 0 "[ . 1 . 2]" 1
1022 1 25 VAL MG1 1 45 LEU H . . 5.120 4.343 3.557 4.716 . 0 0 "[ . 1 . 2]" 1
1023 1 25 VAL MG1 1 50 ALA H . . 5.390 3.942 3.694 4.333 . 0 0 "[ . 1 . 2]" 1
1024 1 23 LEU MD1 1 25 VAL MG2 . . 3.250 1.864 1.755 2.060 . 0 0 "[ . 1 . 2]" 1
1025 1 25 VAL MG2 1 82 VAL MG2 . . 3.540 1.806 1.686 1.930 . 0 0 "[ . 1 . 2]" 1
1026 1 25 VAL MG2 1 26 ALA H . . 4.340 4.096 3.865 4.250 . 0 0 "[ . 1 . 2]" 1
1027 1 25 VAL MG2 1 50 ALA H . . 5.500 5.367 5.196 5.498 . 0 0 "[ . 1 . 2]" 1
1028 1 25 VAL MG2 1 26 ALA HA . . 4.610 4.286 4.110 4.452 . 0 0 "[ . 1 . 2]" 1
1029 1 26 ALA MB 1 42 ALA HA . . 5.000 4.823 4.643 4.960 . 0 0 "[ . 1 . 2]" 1
1030 1 27 LEU HA 1 28 VAL HA . . 5.170 4.516 4.461 4.553 . 0 0 "[ . 1 . 2]" 1
1031 1 27 LEU HA 1 42 ALA HA . . 5.500 4.712 4.594 4.919 . 0 0 "[ . 1 . 2]" 1
1032 1 27 LEU MD1 1 82 VAL H . . 5.100 4.454 4.262 4.657 . 0 0 "[ . 1 . 2]" 1
1033 1 27 LEU HA 1 27 LEU MD1 . . 4.700 3.980 3.938 4.011 . 0 0 "[ . 1 . 2]" 1
1034 1 15 LEU MD1 1 53 SER HB3 . . 5.030 3.973 3.595 4.536 . 0 0 "[ . 1 . 2]" 1
1035 1 27 LEU MD1 1 82 VAL MG1 . . 3.260 2.770 2.115 3.211 . 0 0 "[ . 1 . 2]" 1
1036 1 26 ALA HA 1 27 LEU MD2 . . 5.420 4.893 4.673 5.181 . 0 0 "[ . 1 . 2]" 1
1037 1 27 LEU MD2 1 61 ARG HA . . 5.500 4.984 4.672 5.315 . 0 0 "[ . 1 . 2]" 1
1038 1 27 LEU MD2 1 41 ILE HB . . 4.850 4.102 3.942 4.285 . 0 0 "[ . 1 . 2]" 1
1039 1 28 VAL HB 1 40 VAL HB . . 5.270 5.091 4.622 5.272 0.002 16 0 "[ . 1 . 2]" 1
1040 1 29 GLU HB3 1 75 LEU MD2 . . 5.430 4.030 3.182 5.285 . 0 0 "[ . 1 . 2]" 1
1041 1 29 GLU H 1 29 GLU HG2 . . 5.220 4.049 1.922 4.787 . 0 0 "[ . 1 . 2]" 1
1042 1 29 GLU H 1 29 GLU HG3 . . 5.220 3.588 1.900 4.767 . 0 0 "[ . 1 . 2]" 1
1043 1 29 GLU HG2 1 75 LEU HB3 . . 5.500 4.269 2.575 5.461 . 0 0 "[ . 1 . 2]" 1
1044 1 29 GLU HG3 1 75 LEU HB3 . . 5.500 3.757 2.002 5.055 . 0 0 "[ . 1 . 2]" 1
1045 1 29 GLU HG2 1 75 LEU MD2 . . 5.500 4.126 2.027 5.490 . 0 0 "[ . 1 . 2]" 1
1046 1 29 GLU HG3 1 75 LEU MD2 . . 5.500 3.526 1.878 4.881 . 0 0 "[ . 1 . 2]" 1
1047 1 33 GLY HA3 1 34 SER HA . . 4.850 4.471 4.300 4.852 0.002 7 0 "[ . 1 . 2]" 1
1048 1 30 SER HB2 1 40 VAL HB . . 5.470 3.468 2.839 4.868 . 0 0 "[ . 1 . 2]" 1
1049 1 30 SER HB3 1 40 VAL HB . . 5.470 4.372 3.588 5.143 . 0 0 "[ . 1 . 2]" 1
1050 1 32 TRP HA 1 32 TRP HD1 . . 4.380 3.933 2.978 4.344 . 0 0 "[ . 1 . 2]" 1
1051 1 32 TRP HA 1 32 TRP HE3 . . 4.500 4.111 3.065 4.500 . 0 0 "[ . 1 . 2]" 1
1052 1 35 LEU H 1 35 LEU HG . . 5.130 3.723 2.272 4.765 . 0 0 "[ . 1 . 2]" 1
1053 1 65 ILE H 1 70 LEU MD2 . . 4.800 4.590 4.310 4.798 . 0 0 "[ . 1 . 2]" 1
1054 1 70 LEU MD2 1 78 CYS H . . 4.940 3.646 3.102 3.980 . 0 0 "[ . 1 . 2]" 1
1055 1 70 LEU MD2 1 81 ALA H . . 4.970 4.179 3.880 4.473 . 0 0 "[ . 1 . 2]" 1
1056 1 70 LEU MD2 1 78 CYS HG . . 4.730 3.356 2.826 4.246 . 0 0 "[ . 1 . 2]" 1
1057 1 37 PRO HA 1 38 THR MG . . 4.630 3.548 3.124 3.933 . 0 0 "[ . 1 . 2]" 1
1058 1 79 GLN HB3 1 82 VAL MG1 . . 4.650 3.915 3.807 4.023 . 0 0 "[ . 1 . 2]" 1
1059 1 38 THR HA 1 38 THR MG . . 3.630 2.325 2.131 2.489 . 0 0 "[ . 1 . 2]" 1
1060 1 38 THR H 1 38 THR MG . . 4.010 2.990 2.728 3.329 . 0 0 "[ . 1 . 2]" 1
1061 1 38 THR HB 1 39 ALA MB . . 4.550 4.330 4.159 4.552 0.002 4 0 "[ . 1 . 2]" 1
1062 1 40 VAL HB 1 59 GLY HA2 . . 5.500 5.434 5.167 5.504 0.004 4 0 "[ . 1 . 2]" 1
1063 1 28 VAL H 1 40 VAL MG2 . . 5.110 4.799 4.541 5.028 . 0 0 "[ . 1 . 2]" 1
1064 1 40 VAL MG2 1 59 GLY HA2 . . 4.970 4.835 4.536 4.970 0.000 4 0 "[ . 1 . 2]" 1
1065 1 40 VAL MG1 1 62 LEU H . . 5.480 5.008 4.747 5.309 . 0 0 "[ . 1 . 2]" 1
1066 1 41 ILE HB 1 60 ASP HB2 . . 4.620 4.081 3.663 4.390 . 0 0 "[ . 1 . 2]" 1
1067 1 41 ILE MG 1 60 ASP H . . 5.190 4.904 4.495 5.125 . 0 0 "[ . 1 . 2]" 1
1068 1 41 ILE MD 1 42 ALA H . . 5.500 5.410 5.188 5.491 . 0 0 "[ . 1 . 2]" 1
1069 1 41 ILE MD 1 56 LEU HB2 . . 4.380 4.115 3.853 4.368 . 0 0 "[ . 1 . 2]" 1
1070 1 29 GLU H 1 42 ALA MB . . 5.500 5.204 5.098 5.325 . 0 0 "[ . 1 . 2]" 1
1071 1 43 ASN HA 1 44 LEU MD2 . . 4.370 4.357 4.310 4.379 0.009 14 0 "[ . 1 . 2]" 1
1072 1 43 ASN HA 1 58 ILE MG . . 4.130 3.107 2.797 3.304 . 0 0 "[ . 1 . 2]" 1
1073 1 26 ALA MB 1 43 ASN HA . . 5.340 3.724 3.621 3.905 . 0 0 "[ . 1 . 2]" 1
1074 1 43 ASN HA 1 44 LEU HG . . 5.500 3.776 3.626 4.167 . 0 0 "[ . 1 . 2]" 1
1075 1 43 ASN HA 1 58 ILE HG12 . . 4.680 2.433 1.999 4.624 . 0 0 "[ . 1 . 2]" 1
1076 1 43 ASN HB2 1 58 ILE MG . . 5.500 4.745 4.030 5.498 . 0 0 "[ . 1 . 2]" 1
1077 1 44 LEU HB3 1 51 GLU H . . 5.000 4.791 4.304 4.975 . 0 0 "[ . 1 . 2]" 1
1078 1 44 LEU MD1 1 51 GLU H . . 5.190 4.502 3.963 4.812 . 0 0 "[ . 1 . 2]" 1
1079 1 51 GLU H 1 56 LEU MD1 . . 5.500 4.801 4.522 5.185 . 0 0 "[ . 1 . 2]" 1
1080 1 44 LEU MD1 1 45 LEU H . . 5.030 4.519 4.266 5.009 . 0 0 "[ . 1 . 2]" 1
1081 1 44 LEU HA 1 44 LEU MD1 . . 4.330 3.809 3.709 3.859 . 0 0 "[ . 1 . 2]" 1
1082 1 93 LEU HB3 1 93 LEU MD1 . . 3.210 2.337 2.154 2.504 . 0 0 "[ . 1 . 2]" 1
1083 1 24 GLY HA2 1 45 LEU HB2 . . 4.260 3.747 2.697 4.182 . 0 0 "[ . 1 . 2]" 1
1084 1 45 LEU H 1 45 LEU MD1 . . 4.700 4.281 4.083 4.393 . 0 0 "[ . 1 . 2]" 1
1085 1 45 LEU H 1 45 LEU MD2 . . 4.630 4.161 3.974 4.287 . 0 0 "[ . 1 . 2]" 1
1086 1 46 HIS HA 1 51 GLU HB2 . . 5.030 3.952 3.519 4.217 . 0 0 "[ . 1 . 2]" 1
1087 1 48 GLY HA2 1 49 PRO HB3 . . 5.120 4.928 4.905 4.990 . 0 0 "[ . 1 . 2]" 1
1088 1 15 LEU MD2 1 49 PRO HB3 . . 5.500 5.369 4.966 5.502 0.002 16 0 "[ . 1 . 2]" 1
1089 1 15 LEU MD2 1 49 PRO HB2 . . 4.720 4.218 3.953 4.383 . 0 0 "[ . 1 . 2]" 1
1090 1 17 LYS H 1 49 PRO HG3 . . 5.500 5.474 5.322 5.502 0.002 4 0 "[ . 1 . 2]" 1
1091 1 17 LYS HE2 1 49 PRO HG2 . . 4.860 3.992 3.549 4.479 . 0 0 "[ . 1 . 2]" 1
1092 1 48 GLY HA2 1 49 PRO HG2 . . 4.980 4.768 4.715 4.895 . 0 0 "[ . 1 . 2]" 1
1093 1 48 GLY HA2 1 49 PRO HD3 . . 3.690 2.470 2.427 2.583 . 0 0 "[ . 1 . 2]" 1
1094 1 49 PRO HD2 1 51 GLU HB3 . . 5.500 5.429 5.148 5.500 0.000 12 0 "[ . 1 . 2]" 1
1095 1 23 LEU MD2 1 49 PRO HD3 . . 5.210 4.716 4.550 4.920 . 0 0 "[ . 1 . 2]" 1
1096 1 48 GLY H 1 49 PRO HD2 . . 4.860 4.597 4.540 4.634 . 0 0 "[ . 1 . 2]" 1
1097 1 48 GLY H 1 49 PRO HD3 . . 5.230 5.106 5.084 5.120 . 0 0 "[ . 1 . 2]" 1
1098 1 49 PRO HB2 1 50 ALA HA . . 4.900 4.177 4.094 4.225 . 0 0 "[ . 1 . 2]" 1
1099 1 23 LEU HA 1 50 ALA MB . . 4.560 4.324 4.037 4.519 . 0 0 "[ . 1 . 2]" 1
1100 1 49 PRO HG2 1 50 ALA MB . . 5.060 3.238 3.127 3.400 . 0 0 "[ . 1 . 2]" 1
1101 1 25 VAL MG1 1 50 ALA MB . . 2.890 2.019 1.826 2.171 . 0 0 "[ . 1 . 2]" 1
1102 1 51 GLU HA 1 53 SER H . . 5.130 3.820 3.618 4.066 . 0 0 "[ . 1 . 2]" 1
1103 1 44 LEU MD1 1 51 GLU HA . . 3.540 2.929 2.317 3.316 . 0 0 "[ . 1 . 2]" 1
1104 1 50 ALA MB 1 51 GLU HA . . 4.660 3.833 3.687 3.970 . 0 0 "[ . 1 . 2]" 1
1105 1 51 GLU HA 1 51 GLU HG3 . . 3.780 3.373 2.967 3.673 . 0 0 "[ . 1 . 2]" 1
1106 1 44 LEU MD1 1 51 GLU HB3 . . 5.010 4.502 4.005 4.839 . 0 0 "[ . 1 . 2]" 1
1107 1 47 GLY H 1 52 ARG HB3 . . 5.500 4.589 4.055 5.383 . 0 0 "[ . 1 . 2]" 1
1108 1 51 GLU H 1 51 GLU HG2 . . 5.500 4.561 4.442 4.690 . 0 0 "[ . 1 . 2]" 1
1109 1 51 GLU H 1 51 GLU HG3 . . 5.500 4.537 4.339 4.707 . 0 0 "[ . 1 . 2]" 1
1110 1 51 GLU HB3 1 52 ARG HA . . 4.320 4.190 4.029 4.320 0.000 1 0 "[ . 1 . 2]" 1
1111 1 52 ARG HB2 1 53 SER H . . 4.950 3.939 3.685 4.128 . 0 0 "[ . 1 . 2]" 1
1112 1 52 ARG HG2 1 53 SER HB3 . . 4.610 4.407 4.066 4.600 . 0 0 "[ . 1 . 2]" 1
1113 1 53 SER HA 1 55 ALA MB . . 5.120 4.886 4.555 5.095 . 0 0 "[ . 1 . 2]" 1
1114 1 13 VAL HA 1 93 LEU HB2 . . 5.500 5.456 5.332 5.503 0.003 9 0 "[ . 1 . 2]" 1
1115 1 53 SER HB3 1 55 ALA H . . 4.490 4.245 3.938 4.412 . 0 0 "[ . 1 . 2]" 1
1116 1 53 SER HG 1 55 ALA MB . . 4.530 4.227 3.690 4.438 . 0 0 "[ . 1 . 2]" 1
1117 1 13 VAL HB 1 55 ALA MB . . 5.140 5.043 4.871 5.146 0.006 16 0 "[ . 1 . 2]" 1
1118 1 56 LEU HA 1 57 SER H . . 3.510 2.151 2.139 2.230 . 0 0 "[ . 1 . 2]" 1
1119 1 50 ALA HA 1 56 LEU HB2 . . 5.150 4.838 4.218 5.149 . 0 0 "[ . 1 . 2]" 1
1120 1 56 LEU HB3 1 56 LEU MD1 . . 3.330 2.557 2.421 2.598 . 0 0 "[ . 1 . 2]" 1
1121 1 70 LEU MD1 1 71 VAL H . . 5.500 5.020 4.610 5.468 . 0 0 "[ . 1 . 2]" 1
1122 1 70 LEU MD1 1 78 CYS H . . 5.500 4.351 4.060 4.753 . 0 0 "[ . 1 . 2]" 1
1123 1 64 ALA H 1 70 LEU MD1 . . 4.900 4.549 4.072 4.840 . 0 0 "[ . 1 . 2]" 1
1124 1 63 THR HA 1 70 LEU MD1 . . 5.500 5.327 4.920 5.501 0.001 7 0 "[ . 1 . 2]" 1
1125 1 70 LEU MD1 1 78 CYS HB2 . . 4.750 3.989 3.656 4.473 . 0 0 "[ . 1 . 2]" 1
1126 1 70 LEU MD1 1 78 CYS HG . . 4.750 3.753 3.082 4.528 . 0 0 "[ . 1 . 2]" 1
1127 1 44 LEU MD1 1 57 SER HB2 . . 4.920 4.024 3.739 4.288 . 0 0 "[ . 1 . 2]" 1
1128 1 44 LEU MD1 1 57 SER HB3 . . 4.920 4.077 3.898 4.473 . 0 0 "[ . 1 . 2]" 1
1129 1 57 SER HB3 1 58 ILE H . . 4.090 3.574 2.704 3.922 . 0 0 "[ . 1 . 2]" 1
1130 1 58 ILE HA 1 59 GLY HA3 . . 4.670 4.396 4.392 4.408 . 0 0 "[ . 1 . 2]" 1
1131 1 58 ILE HB 1 59 GLY H . . 4.970 4.220 4.073 4.352 . 0 0 "[ . 1 . 2]" 1
1132 1 44 LEU H 1 58 ILE MG . . 5.050 4.791 4.443 5.051 0.001 13 0 "[ . 1 . 2]" 1
1133 1 43 ASN H 1 58 ILE MD . . 5.500 4.696 3.441 5.273 . 0 0 "[ . 1 . 2]" 1
1134 1 58 ILE MD 1 59 GLY H . . 5.190 4.892 3.758 5.190 0.000 1 0 "[ . 1 . 2]" 1
1135 1 58 ILE HB 1 59 GLY HA2 . . 5.360 5.253 4.960 5.360 0.000 4 0 "[ . 1 . 2]" 1
1136 1 60 ASP HB3 1 95 ILE MG . . 3.820 2.265 1.979 2.532 . 0 0 "[ . 1 . 2]" 1
1137 1 39 ALA MB 1 61 ARG HA . . 4.450 4.243 4.014 4.431 . 0 0 "[ . 1 . 2]" 1
1138 1 41 ILE H 1 61 ARG HA . . 4.610 3.710 3.166 4.090 . 0 0 "[ . 1 . 2]" 1
1139 1 61 ARG HB3 1 96 VAL H . . 5.500 4.005 3.337 5.258 . 0 0 "[ . 1 . 2]" 1
1140 1 61 ARG HB2 1 96 VAL H . . 5.500 5.324 5.055 5.504 0.004 5 0 "[ . 1 . 2]" 1
1141 1 69 SER HA 1 70 LEU HG . . 4.680 4.299 3.717 4.609 . 0 0 "[ . 1 . 2]" 1
1142 1 61 ARG HA 1 61 ARG HD3 . . 5.290 3.712 3.434 4.575 . 0 0 "[ . 1 . 2]" 1
1143 1 61 ARG HD3 1 62 LEU HA . . 5.500 3.730 3.384 4.683 . 0 0 "[ . 1 . 2]" 1
1144 1 61 ARG HA 1 61 ARG HD2 . . 5.290 4.311 3.802 4.922 . 0 0 "[ . 1 . 2]" 1
1145 1 61 ARG HD2 1 62 LEU HA . . 5.500 4.465 3.426 5.356 . 0 0 "[ . 1 . 2]" 1
1146 1 62 LEU HA 1 62 LEU MD1 . . 3.800 3.633 3.558 3.753 . 0 0 "[ . 1 . 2]" 1
1147 1 39 ALA MB 1 62 LEU HB3 . . 4.140 2.158 1.865 2.554 . 0 0 "[ . 1 . 2]" 1
1148 1 62 LEU H 1 62 LEU HG . . 4.670 4.533 4.490 4.573 . 0 0 "[ . 1 . 2]" 1
1149 1 62 LEU MD2 1 63 THR HA . . 4.840 3.031 2.796 3.333 . 0 0 "[ . 1 . 2]" 1
1150 1 63 THR HA 1 64 ALA MB . . 4.830 4.409 4.282 4.666 . 0 0 "[ . 1 . 2]" 1
1151 1 63 THR HA 1 70 LEU HB3 . . 5.500 5.352 5.100 5.504 0.004 1 0 "[ . 1 . 2]" 1
1152 1 63 THR HA 1 70 LEU H . . 4.940 4.371 4.146 4.682 . 0 0 "[ . 1 . 2]" 1
1153 1 62 LEU HA 1 63 THR MG . . 4.560 3.416 3.164 3.604 . 0 0 "[ . 1 . 2]" 1
1154 1 63 THR HB 1 71 VAL H . . 5.050 4.413 3.814 4.976 . 0 0 "[ . 1 . 2]" 1
1155 1 63 THR HA 1 71 VAL H . . 5.050 3.706 3.133 4.463 . 0 0 "[ . 1 . 2]" 1
1156 1 63 THR H 1 64 ALA MB . . 4.880 4.296 4.173 4.431 . 0 0 "[ . 1 . 2]" 1
1157 1 64 ALA HA 1 65 ILE HB . . 4.890 4.447 4.273 4.697 . 0 0 "[ . 1 . 2]" 1
1158 1 65 ILE MG 1 85 THR HB . . 4.620 4.201 3.827 4.531 . 0 0 "[ . 1 . 2]" 1
1159 1 65 ILE MG 1 93 LEU HA . . 4.790 4.248 3.739 4.611 . 0 0 "[ . 1 . 2]" 1
1160 1 65 ILE MG 1 85 THR MG . . 3.040 2.176 2.035 2.383 . 0 0 "[ . 1 . 2]" 1
1161 1 65 ILE MG 1 66 ASN HB3 . . 4.730 3.800 2.770 4.207 . 0 0 "[ . 1 . 2]" 1
1162 1 65 ILE MG 1 85 THR H . . 4.960 4.704 4.009 4.958 . 0 0 "[ . 1 . 2]" 1
1163 1 65 ILE MG 1 92 THR H . . 4.880 3.632 3.077 4.163 . 0 0 "[ . 1 . 2]" 1
1164 1 65 ILE MG 1 66 ASN H . . 3.910 2.903 2.402 3.247 . 0 0 "[ . 1 . 2]" 1
1165 1 65 ILE H 1 65 ILE MD . . 4.590 4.225 3.848 4.506 . 0 0 "[ . 1 . 2]" 1
1166 1 65 ILE MD 1 82 VAL H . . 4.320 3.544 3.054 3.911 . 0 0 "[ . 1 . 2]" 1
1167 1 65 ILE HA 1 65 ILE MD . . 4.370 3.804 3.735 3.896 . 0 0 "[ . 1 . 2]" 1
1168 1 65 ILE MD 1 81 ALA HA . . 5.490 4.951 4.292 5.471 . 0 0 "[ . 1 . 2]" 1
1169 1 65 ILE MD 1 82 VAL HB . . 4.670 2.929 2.387 3.378 . 0 0 "[ . 1 . 2]" 1
1170 1 65 ILE MG 1 66 ASN HA . . 5.030 4.126 3.795 4.409 . 0 0 "[ . 1 . 2]" 1
1171 1 66 ASN HB2 1 92 THR H . . 5.500 4.280 3.136 5.241 . 0 0 "[ . 1 . 2]" 1
1172 1 66 ASN HB3 1 92 THR H . . 5.500 3.919 1.906 5.027 . 0 0 "[ . 1 . 2]" 1
1173 1 64 ALA MB 1 67 GLY HA3 . . 5.050 4.733 4.512 4.968 . 0 0 "[ . 1 . 2]" 1
1174 1 64 ALA MB 1 67 GLY HA2 . . 5.050 3.606 3.392 3.747 . 0 0 "[ . 1 . 2]" 1
1175 1 68 THR HB 1 69 SER H . . 4.740 4.420 4.188 4.506 . 0 0 "[ . 1 . 2]" 1
1176 1 65 ILE HB 1 68 THR HB . . 4.820 2.758 2.032 4.124 . 0 0 "[ . 1 . 2]" 1
1177 1 68 THR HA 1 68 THR MG . . 3.260 2.432 2.183 3.153 . 0 0 "[ . 1 . 2]" 1
1178 1 69 SER HB2 1 70 LEU H . . 4.950 4.110 3.418 4.491 . 0 0 "[ . 1 . 2]" 1
1179 1 69 SER HB3 1 71 VAL H . . 5.110 4.514 3.365 5.110 0.000 15 0 "[ . 1 . 2]" 1
1180 1 69 SER HB2 1 71 VAL H . . 5.110 4.432 3.091 5.105 . 0 0 "[ . 1 . 2]" 1
1181 1 70 LEU HA 1 73 LEU HB2 . . 4.610 3.118 2.857 3.374 . 0 0 "[ . 1 . 2]" 1
1182 1 70 LEU HA 1 73 LEU HG . . 4.370 3.829 3.247 4.123 . 0 0 "[ . 1 . 2]" 1
1183 1 70 LEU HB3 1 71 VAL H . . 4.970 3.966 3.653 4.466 . 0 0 "[ . 1 . 2]" 1
1184 1 70 LEU HB2 1 71 VAL H . . 4.990 3.234 2.749 3.979 . 0 0 "[ . 1 . 2]" 1
1185 1 38 THR HB 1 71 VAL HA . . 5.500 5.481 5.380 5.503 0.003 14 0 "[ . 1 . 2]" 1
1186 1 63 THR HA 1 71 VAL HA . . 4.860 3.819 3.190 4.765 . 0 0 "[ . 1 . 2]" 1
1187 1 38 THR HA 1 71 VAL HA . . 4.860 4.003 3.621 4.418 . 0 0 "[ . 1 . 2]" 1
1188 1 73 LEU HB3 1 78 CYS H . . 5.180 4.294 3.929 4.658 . 0 0 "[ . 1 . 2]" 1
1189 1 73 LEU HB3 1 78 CYS HG . . 4.770 3.904 3.562 4.355 . 0 0 "[ . 1 . 2]" 1
1190 1 73 LEU HB2 1 74 PRO HD3 . . 4.800 4.710 4.687 4.745 . 0 0 "[ . 1 . 2]" 1
1191 1 36 LEU HA 1 36 LEU HG . . 4.260 3.295 2.264 4.273 0.013 7 0 "[ . 1 . 2]" 1
1192 1 73 LEU HG 1 74 PRO HD2 . . 4.760 4.120 3.850 4.440 . 0 0 "[ . 1 . 2]" 1
1193 1 73 LEU HA 1 73 LEU MD2 . . 3.160 2.117 1.969 2.435 . 0 0 "[ . 1 . 2]" 1
1194 1 74 PRO HA 1 77 ALA MB . . 5.500 4.651 4.512 4.754 . 0 0 "[ . 1 . 2]" 1
1195 1 74 PRO HB3 1 77 ALA H . . 4.870 4.846 4.794 4.872 0.002 18 0 "[ . 1 . 2]" 1
1196 1 74 PRO HB3 1 77 ALA MB . . 4.890 4.837 4.766 4.873 . 0 0 "[ . 1 . 2]" 1
1197 1 74 PRO HG3 1 77 ALA H . . 4.530 4.281 4.108 4.430 . 0 0 "[ . 1 . 2]" 1
1198 1 73 LEU HB3 1 74 PRO HG3 . . 5.410 4.661 4.618 4.739 . 0 0 "[ . 1 . 2]" 1
1199 1 74 PRO HG3 1 76 ALA MB . . 5.500 4.052 3.873 4.203 . 0 0 "[ . 1 . 2]" 1
1200 1 73 LEU HA 1 74 PRO HD3 . . 2.980 2.310 2.288 2.331 . 0 0 "[ . 1 . 2]" 1
1201 1 73 LEU HA 1 74 PRO HD2 . . 3.150 2.423 2.364 2.475 . 0 0 "[ . 1 . 2]" 1
1202 1 75 LEU HA 1 79 GLN H . . 4.880 4.083 3.940 4.244 . 0 0 "[ . 1 . 2]" 1
1203 1 29 GLU HG2 1 75 LEU HB2 . . 5.500 3.409 1.995 4.298 . 0 0 "[ . 1 . 2]" 1
1204 1 29 GLU HG3 1 75 LEU HB2 . . 5.500 2.820 1.996 4.331 . 0 0 "[ . 1 . 2]" 1
1205 1 75 LEU HG 1 76 ALA HA . . 5.500 3.468 3.134 3.869 . 0 0 "[ . 1 . 2]" 1
1206 1 75 LEU HG 1 76 ALA H . . 5.020 3.448 3.119 3.747 . 0 0 "[ . 1 . 2]" 1
1207 1 28 VAL H 1 75 LEU MD1 . . 5.090 3.375 3.035 3.613 . 0 0 "[ . 1 . 2]" 1
1208 1 75 LEU H 1 75 LEU MD1 . . 5.310 4.069 3.895 4.271 . 0 0 "[ . 1 . 2]" 1
1209 1 75 LEU MD1 1 79 GLN HE22 . . 4.720 3.961 1.868 4.529 . 0 0 "[ . 1 . 2]" 1
1210 1 75 LEU MD2 1 79 GLN HE21 . . 4.720 3.284 2.713 4.400 . 0 0 "[ . 1 . 2]" 1
1211 1 77 ALA HA 1 81 ALA H . . 4.760 4.158 3.844 4.361 . 0 0 "[ . 1 . 2]" 1
1212 1 75 LEU HG 1 79 GLN HB2 . . 5.170 3.534 3.388 3.645 . 0 0 "[ . 1 . 2]" 1
1213 1 76 ALA MB 1 79 GLN HB2 . . 5.420 3.987 3.776 4.113 . 0 0 "[ . 1 . 2]" 1
1214 1 79 GLN H 1 80 ALA MB . . 4.600 4.284 4.055 4.435 . 0 0 "[ . 1 . 2]" 1
1215 1 80 ALA MB 1 83 ARG H . . 4.880 4.674 4.555 4.870 . 0 0 "[ . 1 . 2]" 1
1216 1 77 ALA H 1 80 ALA MB . . 4.920 4.716 4.510 4.915 . 0 0 "[ . 1 . 2]" 1
1217 1 79 GLN HB2 1 80 ALA MB . . 4.620 4.146 4.021 4.288 . 0 0 "[ . 1 . 2]" 1
1218 1 70 LEU MD2 1 81 ALA HA . . 5.390 4.881 4.485 5.208 . 0 0 "[ . 1 . 2]" 1
1219 1 82 VAL HA 1 84 GLU H . . 4.840 4.398 4.002 4.653 . 0 0 "[ . 1 . 2]" 1
1220 1 27 LEU MD1 1 82 VAL HB . . 4.610 2.777 2.590 3.012 . 0 0 "[ . 1 . 2]" 1
1221 1 83 ARG HA 1 85 THR H . . 4.610 4.234 3.533 4.594 . 0 0 "[ . 1 . 2]" 1
1222 1 17 LYS QZ 1 85 THR HB . . 4.660 2.051 1.861 2.559 . 0 0 "[ . 1 . 2]" 1
1223 1 85 THR HB 1 88 GLN HB2 . . 5.500 4.176 3.047 5.503 0.003 11 0 "[ . 1 . 2]" 1
1224 1 82 VAL HB 1 85 THR MG . . 5.360 4.920 4.485 5.288 . 0 0 "[ . 1 . 2]" 1
1225 1 65 ILE MD 1 85 THR MG . . 3.700 3.220 2.799 3.705 0.005 5 0 "[ . 1 . 2]" 1
1226 1 83 ARG HA 1 86 LYS HB3 . . 4.770 4.501 4.318 4.769 . 0 0 "[ . 1 . 2]" 1
1227 1 22 GLY HA2 1 86 LYS HG2 . . 4.780 4.082 3.871 4.346 . 0 0 "[ . 1 . 2]" 1
1228 1 22 GLY HA2 1 86 LYS HG3 . . 4.580 2.367 2.135 2.606 . 0 0 "[ . 1 . 2]" 1
1229 1 20 GLY HA3 1 86 LYS HG3 . . 5.500 5.220 4.945 5.502 0.002 16 0 "[ . 1 . 2]" 1
1230 1 86 LYS HG3 1 87 SER HA . . 5.500 5.449 5.253 5.512 0.012 11 0 "[ . 1 . 2]" 1
1231 1 22 GLY HA2 1 86 LYS HD2 . . 5.020 3.633 2.987 4.192 . 0 0 "[ . 1 . 2]" 1
1232 1 83 ARG HA 1 86 LYS HD2 . . 5.500 4.705 4.307 5.200 . 0 0 "[ . 1 . 2]" 1
1233 1 20 GLY HA3 1 86 LYS HD3 . . 5.500 5.144 4.273 5.500 0.000 2 0 "[ . 1 . 2]" 1
1234 1 86 LYS H 1 86 LYS HD2 . . 5.280 4.835 4.701 5.002 . 0 0 "[ . 1 . 2]" 1
1235 1 86 LYS H 1 86 LYS HD3 . . 5.500 5.084 4.875 5.210 . 0 0 "[ . 1 . 2]" 1
1236 1 22 GLY HA2 1 86 LYS HE2 . . 5.290 4.660 4.163 5.112 . 0 0 "[ . 1 . 2]" 1
1237 1 22 GLY HA2 1 86 LYS HE3 . . 5.460 3.348 2.724 3.852 . 0 0 "[ . 1 . 2]" 1
1238 1 21 GLU HA 1 86 LYS HE2 . . 5.160 4.270 3.745 5.129 . 0 0 "[ . 1 . 2]" 1
1239 1 21 GLU HA 1 86 LYS HE3 . . 5.500 4.016 3.136 4.880 . 0 0 "[ . 1 . 2]" 1
1240 1 86 LYS HG2 1 87 SER HA . . 4.860 3.871 3.719 4.091 . 0 0 "[ . 1 . 2]" 1
1241 1 20 GLY HA2 1 87 SER HA . . 4.620 3.189 2.507 3.538 . 0 0 "[ . 1 . 2]" 1
1242 1 87 SER HB2 1 88 GLN H . . 4.960 3.085 2.223 3.907 . 0 0 "[ . 1 . 2]" 1
1243 1 87 SER HB3 1 88 GLN H . . 4.960 3.147 2.101 4.314 . 0 0 "[ . 1 . 2]" 1
1244 1 99 PRO HA 1 100 PRO HD2 . . 3.340 2.306 1.993 2.534 . 0 0 "[ . 1 . 2]" 1
1245 1 17 LYS HG3 1 89 THR HA . . 3.920 2.204 2.005 2.492 . 0 0 "[ . 1 . 2]" 1
1246 1 17 LYS HB3 1 89 THR HA . . 5.150 4.282 3.974 4.593 . 0 0 "[ . 1 . 2]" 1
1247 1 17 LYS HG2 1 89 THR HA . . 3.920 2.166 1.989 2.591 . 0 0 "[ . 1 . 2]" 1
1248 1 89 THR HB 1 90 SER H . . 5.010 4.235 4.080 4.372 . 0 0 "[ . 1 . 2]" 1
1249 1 64 ALA MB 1 69 SER H . . 5.230 3.438 3.167 4.293 . 0 0 "[ . 1 . 2]" 1
1250 1 90 SER HA 1 91 VAL HB . . 5.000 4.465 4.354 4.629 . 0 0 "[ . 1 . 2]" 1
1251 1 15 LEU HB2 1 91 VAL HB . . 4.400 2.401 2.057 2.685 . 0 0 "[ . 1 . 2]" 1
1252 1 15 LEU MD1 1 91 VAL HB . . 4.350 2.608 1.983 3.175 . 0 0 "[ . 1 . 2]" 1
1253 1 14 HIS HD2 1 92 THR MG . . 4.810 2.848 2.148 3.945 . 0 0 "[ . 1 . 2]" 1
1254 1 66 ASN H 1 92 THR MG . . 5.060 3.936 3.567 4.515 . 0 0 "[ . 1 . 2]" 1
1255 1 14 HIS H 1 92 THR MG . . 5.040 3.681 3.244 4.339 . 0 0 "[ . 1 . 2]" 1
1256 1 66 ASN HA 1 92 THR MG . . 4.530 3.857 3.270 4.319 . 0 0 "[ . 1 . 2]" 1
1257 1 14 HIS HB2 1 92 THR MG . . 4.790 4.388 3.028 4.785 . 0 0 "[ . 1 . 2]" 1
1258 1 12 GLU HG3 1 92 THR MG . . 3.880 2.421 1.874 3.887 0.007 11 0 "[ . 1 . 2]" 1
1259 1 92 THR HA 1 93 LEU HB2 . . 5.010 4.604 4.501 4.739 . 0 0 "[ . 1 . 2]" 1
1260 1 92 THR HA 1 93 LEU HG . . 5.240 4.146 3.870 4.418 . 0 0 "[ . 1 . 2]" 1
1261 1 14 HIS HB3 1 92 THR HA . . 5.110 4.238 4.050 4.984 . 0 0 "[ . 1 . 2]" 1
1262 1 15 LEU H 1 92 THR HA . . 4.350 3.280 2.963 3.592 . 0 0 "[ . 1 . 2]" 1
1263 1 91 VAL MG1 1 92 THR HA . . 4.660 3.705 3.484 3.971 . 0 0 "[ . 1 . 2]" 1
1264 1 66 ASN HD22 1 91 VAL MG1 . . 4.710 3.181 1.872 4.654 . 0 0 "[ . 1 . 2]" 1
1265 1 15 LEU H 1 91 VAL MG1 . . 4.780 4.375 4.186 4.632 . 0 0 "[ . 1 . 2]" 1
1266 1 91 VAL MG1 1 93 LEU H . . 5.060 3.616 3.399 3.953 . 0 0 "[ . 1 . 2]" 1
1267 1 66 ASN H 1 91 VAL MG1 . . 4.840 4.317 3.848 4.819 . 0 0 "[ . 1 . 2]" 1
1268 1 13 VAL H 1 93 LEU HB3 . . 5.220 5.067 4.783 5.228 0.008 16 0 "[ . 1 . 2]" 1
1269 1 13 VAL HB 1 93 LEU HB3 . . 4.500 4.201 4.013 4.469 . 0 0 "[ . 1 . 2]" 1
1270 1 63 THR MG 1 94 SER HA . . 5.500 4.998 4.246 5.469 . 0 0 "[ . 1 . 2]" 1
1271 1 92 THR MG 1 94 SER HA . . 5.500 4.484 4.180 5.050 . 0 0 "[ . 1 . 2]" 1
1272 1 94 SER HA 1 95 ILE HG13 . . 5.170 4.207 3.766 4.918 . 0 0 "[ . 1 . 2]" 1
1273 1 63 THR MG 1 94 SER HB2 . . 5.310 4.548 3.104 5.318 0.008 16 0 "[ . 1 . 2]" 1
1274 1 63 THR MG 1 94 SER HB3 . . 5.310 3.917 2.974 5.155 . 0 0 "[ . 1 . 2]" 1
1275 1 64 ALA H 1 95 ILE HA . . 5.160 5.070 4.769 5.167 0.007 5 0 "[ . 1 . 2]" 1
1276 1 60 ASP HB2 1 95 ILE HB . . 5.500 4.704 4.011 5.219 . 0 0 "[ . 1 . 2]" 1
1277 1 95 ILE HG13 1 95 ILE MG . . 3.210 2.798 2.621 3.168 . 0 0 "[ . 1 . 2]" 1
1278 1 95 ILE HG12 1 95 ILE MG . . 2.980 2.130 1.999 2.229 . 0 0 "[ . 1 . 2]" 1
1279 1 61 ARG H 1 96 VAL HB . . 5.500 5.002 4.432 5.492 . 0 0 "[ . 1 . 2]" 1
1280 1 16 GLU HA 1 16 GLU HG2 . . 4.250 2.633 2.198 3.735 . 0 0 "[ . 1 . 2]" 1
1281 1 95 ILE MD 1 97 HIS HB2 . . 4.820 3.416 2.159 4.670 . 0 0 "[ . 1 . 2]" 1
1282 1 100 PRO HA 1 101 VAL MG1 . . 5.500 4.266 3.668 5.495 . 0 0 "[ . 1 . 2]" 1
1283 1 100 PRO HA 1 101 VAL MG2 . . 5.500 4.120 3.493 5.471 . 0 0 "[ . 1 . 2]" 1
1284 1 98 CYS HA 1 99 PRO HD3 . . 3.360 2.333 2.252 2.900 . 0 0 "[ . 1 . 2]" 1
1285 1 19 ARG HA 1 88 GLN H . . 5.500 5.185 4.259 5.495 . 0 0 "[ . 1 . 2]" 1
1286 1 19 ARG HB3 1 20 GLY H . . 4.860 4.230 4.086 4.410 . 0 0 "[ . 1 . 2]" 1
1287 1 19 ARG HB2 1 20 GLY H . . 4.860 4.392 4.264 4.526 . 0 0 "[ . 1 . 2]" 1
1288 1 19 ARG HG2 1 20 GLY HA3 . . 5.290 3.993 3.430 5.144 . 0 0 "[ . 1 . 2]" 1
1289 1 18 ARG HG2 1 19 ARG H . . 5.500 4.400 3.625 5.194 . 0 0 "[ . 1 . 2]" 1
1290 1 18 ARG HG3 1 19 ARG H . . 5.500 5.108 4.264 5.407 . 0 0 "[ . 1 . 2]" 1
1291 1 18 ARG HA 1 21 GLU H . . 5.500 5.427 5.216 5.502 0.002 11 0 "[ . 1 . 2]" 1
1292 1 18 ARG HB2 1 19 ARG H . . 4.680 4.198 3.691 4.430 . 0 0 "[ . 1 . 2]" 1
1293 1 18 ARG HA 1 18 ARG HD2 . . 4.730 3.707 2.058 4.714 . 0 0 "[ . 1 . 2]" 1
1294 1 17 LYS HB3 1 90 SER H . . 5.500 5.511 5.500 5.550 0.050 11 0 "[ . 1 . 2]" 1
1295 1 17 LYS HB2 1 17 LYS HE2 . . 4.950 3.279 3.126 3.383 . 0 0 "[ . 1 . 2]" 1
1296 1 17 LYS HG2 1 90 SER H . . 4.950 3.532 3.425 3.598 . 0 0 "[ . 1 . 2]" 1
1297 1 17 LYS HD2 1 18 ARG H . . 5.210 4.488 4.384 4.603 . 0 0 "[ . 1 . 2]" 1
1298 1 17 LYS HD3 1 18 ARG H . . 5.420 3.830 3.687 3.978 . 0 0 "[ . 1 . 2]" 1
1299 1 17 LYS HD2 1 89 THR HA . . 4.830 3.562 3.201 3.879 . 0 0 "[ . 1 . 2]" 1
1300 1 17 LYS HD2 1 91 VAL MG2 . . 4.840 3.943 3.796 4.082 . 0 0 "[ . 1 . 2]" 1
1301 1 17 LYS HD3 1 91 VAL MG2 . . 4.870 4.000 3.723 4.243 . 0 0 "[ . 1 . 2]" 1
1302 1 17 LYS HE2 1 86 LYS HA . . 4.940 4.614 4.330 4.848 . 0 0 "[ . 1 . 2]" 1
1303 1 17 LYS HE2 1 23 LEU HA . . 4.660 3.433 2.838 3.738 . 0 0 "[ . 1 . 2]" 1
1304 1 17 LYS HE3 1 85 THR HB . . 4.580 2.890 2.309 3.263 . 0 0 "[ . 1 . 2]" 1
1305 1 18 ARG H 1 21 GLU HB2 . . 4.380 2.988 2.531 3.512 . 0 0 "[ . 1 . 2]" 1
1306 1 14 HIS HA 1 15 LEU HB2 . . 5.050 4.654 4.476 4.780 . 0 0 "[ . 1 . 2]" 1
1307 1 15 LEU HB3 1 91 VAL H . . 4.870 4.457 4.143 4.729 . 0 0 "[ . 1 . 2]" 1
1308 1 15 LEU HB3 1 90 SER HA . . 5.500 5.451 5.216 5.509 0.009 7 0 "[ . 1 . 2]" 1
1309 1 15 LEU H 1 15 LEU MD1 . . 4.580 3.765 3.573 4.025 . 0 0 "[ . 1 . 2]" 1
1310 1 15 LEU MD1 1 16 GLU H . . 4.960 4.619 4.472 4.831 . 0 0 "[ . 1 . 2]" 1
1311 1 15 LEU MD1 1 49 PRO HG2 . . 4.820 3.944 3.605 4.204 . 0 0 "[ . 1 . 2]" 1
1312 1 15 LEU MD1 1 17 LYS HB3 . . 5.500 4.953 4.764 5.134 . 0 0 "[ . 1 . 2]" 1
1313 1 15 LEU MD1 1 49 PRO HG3 . . 5.500 5.202 4.853 5.471 . 0 0 "[ . 1 . 2]" 1
1314 1 13 VAL MG1 1 14 HIS HA . . 4.660 4.171 3.946 4.371 . 0 0 "[ . 1 . 2]" 1
1315 1 14 HIS HB3 1 15 LEU H . . 4.740 3.005 2.797 3.839 . 0 0 "[ . 1 . 2]" 1
1316 1 13 VAL HA 1 14 HIS HB2 . . 4.820 4.728 4.410 4.820 0.000 9 0 "[ . 1 . 2]" 1
1317 1 13 VAL HA 1 14 HIS HA . . 5.500 4.423 4.407 4.440 . 0 0 "[ . 1 . 2]" 1
1318 1 13 VAL HB 1 14 HIS H . . 4.770 4.353 4.269 4.416 . 0 0 "[ . 1 . 2]" 1
1319 1 13 VAL HB 1 93 LEU HA . . 5.460 5.081 4.879 5.333 . 0 0 "[ . 1 . 2]" 1
1320 1 13 VAL MG1 1 55 ALA H . . 4.820 4.522 4.225 4.747 . 0 0 "[ . 1 . 2]" 1
1321 1 13 VAL MG2 1 93 LEU H . . 5.480 4.594 4.356 4.736 . 0 0 "[ . 1 . 2]" 1
1322 1 11 ARG HB3 1 13 VAL MG2 . . 3.910 3.396 2.957 3.911 0.001 15 0 "[ . 1 . 2]" 1
1323 1 13 VAL MG1 1 93 LEU HB2 . . 4.510 3.706 3.373 4.063 . 0 0 "[ . 1 . 2]" 1
1324 1 13 VAL MG1 1 53 SER HG . . 4.890 4.315 3.693 4.806 . 0 0 "[ . 1 . 2]" 1
1325 1 13 VAL MG1 1 56 LEU HG . . 3.740 2.827 2.422 3.207 . 0 0 "[ . 1 . 2]" 1
1326 1 12 GLU HA 1 92 THR MG . . 4.630 3.234 2.897 3.860 . 0 0 "[ . 1 . 2]" 1
1327 1 12 GLU HB3 1 13 VAL H . . 4.660 4.125 3.599 4.423 . 0 0 "[ . 1 . 2]" 1
1328 1 12 GLU HG2 1 13 VAL H . . 4.850 3.986 3.191 4.812 . 0 0 "[ . 1 . 2]" 1
1329 1 11 ARG HB2 1 95 ILE HG12 . . 5.230 4.834 3.615 5.230 . 0 0 "[ . 1 . 2]" 1
1330 1 10 CYS HB2 1 96 VAL HA . . 5.500 4.705 3.545 5.503 0.003 11 0 "[ . 1 . 2]" 1
1331 1 10 CYS HB3 1 96 VAL HA . . 5.500 4.649 3.431 5.498 . 0 0 "[ . 1 . 2]" 1
1332 1 14 HIS HA 1 14 HIS HD2 . . 4.800 3.512 2.478 3.848 . 0 0 "[ . 1 . 2]" 1
1333 1 14 HIS H 1 14 HIS HD2 . . 4.980 4.147 1.985 5.001 0.021 14 0 "[ . 1 . 2]" 1
1334 1 14 HIS HD2 1 15 LEU H . . 5.490 4.948 1.894 5.483 . 0 0 "[ . 1 . 2]" 1
1335 1 14 HIS HE1 1 92 THR MG . . 4.240 3.711 3.232 4.245 0.005 14 0 "[ . 1 . 2]" 1
1336 1 46 HIS HE1 1 57 SER HB3 . . 5.500 5.454 5.309 5.502 0.002 4 0 "[ . 1 . 2]" 1
1337 1 46 HIS HE1 1 57 SER HB2 . . 5.500 5.401 5.075 5.504 0.004 5 0 "[ . 1 . 2]" 1
1338 1 98 CYS HA 1 99 PRO HG3 . . 5.020 4.422 4.315 4.652 . 0 0 "[ . 1 . 2]" 1
1339 1 36 LEU HA 1 37 PRO HD3 . . 3.150 2.288 2.253 2.454 . 0 0 "[ . 1 . 2]" 1
1340 1 39 ALA MB 1 75 LEU HA . . 5.130 4.800 4.290 5.119 . 0 0 "[ . 1 . 2]" 1
1341 1 93 LEU H 1 93 LEU MD2 . . 4.500 3.457 2.804 3.796 . 0 0 "[ . 1 . 2]" 1
1342 1 66 ASN H 1 93 LEU MD2 . . 4.650 4.399 3.964 4.654 0.004 16 0 "[ . 1 . 2]" 1
1343 1 44 LEU HA 1 44 LEU MD2 . . 3.370 2.063 1.905 2.178 . 0 0 "[ . 1 . 2]" 1
1344 1 62 LEU HA 1 62 LEU MD2 . . 4.520 3.379 3.205 3.587 . 0 0 "[ . 1 . 2]" 1
1345 1 70 LEU HB3 1 73 LEU HB2 . . 5.110 3.660 3.222 4.053 . 0 0 "[ . 1 . 2]" 1
1346 1 45 LEU MD1 1 48 GLY HA2 . . 5.070 4.675 3.055 5.049 . 0 0 "[ . 1 . 2]" 1
1347 1 43 ASN HB2 1 58 ILE MD . . 5.090 4.543 3.474 5.054 . 0 0 "[ . 1 . 2]" 1
1348 1 43 ASN HB3 1 58 ILE MD . . 5.090 4.517 3.729 5.090 . 0 0 "[ . 1 . 2]" 1
1349 1 27 LEU MD1 1 78 CYS HA . . 4.570 4.297 3.913 4.555 . 0 0 "[ . 1 . 2]" 1
1350 1 56 LEU HA 1 56 LEU MD2 . . 3.210 2.501 2.233 2.655 . 0 0 "[ . 1 . 2]" 1
1351 1 56 LEU HB3 1 56 LEU MD2 . . 3.290 2.144 2.044 2.268 . 0 0 "[ . 1 . 2]" 1
1352 1 73 LEU MD2 1 77 ALA MB . . 3.590 2.796 2.476 3.312 . 0 0 "[ . 1 . 2]" 1
1353 1 15 LEU MD1 1 91 VAL H . . 4.700 4.283 3.806 4.650 . 0 0 "[ . 1 . 2]" 1
1354 1 73 LEU MD1 1 74 PRO HD3 . . 5.250 5.006 4.815 5.181 . 0 0 "[ . 1 . 2]" 1
1355 1 23 LEU H 1 23 LEU MD2 . . 4.750 4.214 4.137 4.257 . 0 0 "[ . 1 . 2]" 1
1356 1 93 LEU HA 1 93 LEU MD1 . . 4.530 3.842 3.678 3.930 . 0 0 "[ . 1 . 2]" 1
1357 1 9 ASN QB 1 96 VAL QG . . 3.970 3.129 2.142 3.966 . 0 0 "[ . 1 . 2]" 1
1358 1 9 ASN QB 1 97 HIS H . . 4.730 3.958 2.697 4.700 . 0 0 "[ . 1 . 2]" 1
1359 1 10 CYS H 1 10 CYS QB . . 3.580 2.839 2.177 3.246 . 0 0 "[ . 1 . 2]" 1
1360 1 10 CYS HA 1 96 VAL QG . . 4.310 3.468 2.920 3.985 . 0 0 "[ . 1 . 2]" 1
1361 1 10 CYS QB 1 11 ARG H . . 4.110 2.516 1.914 3.229 . 0 0 "[ . 1 . 2]" 1
1362 1 11 ARG H 1 11 ARG QG . . 4.680 4.125 3.889 4.286 . 0 0 "[ . 1 . 2]" 1
1363 1 11 ARG H 1 11 ARG QD . . 5.340 4.726 4.375 5.214 . 0 0 "[ . 1 . 2]" 1
1364 1 11 ARG HB2 1 11 ARG QD . . 3.660 2.668 2.095 3.275 . 0 0 "[ . 1 . 2]" 1
1365 1 11 ARG HB3 1 11 ARG QD . . 3.430 2.562 2.100 3.433 0.003 12 0 "[ . 1 . 2]" 1
1366 1 11 ARG QG 1 12 GLU H . . 4.150 2.876 2.304 3.490 . 0 0 "[ . 1 . 2]" 1
1367 1 11 ARG QG 1 13 VAL MG2 . . 3.460 2.606 1.953 3.461 0.001 6 0 "[ . 1 . 2]" 1
1368 1 11 ARG QD 1 13 VAL MG2 . . 3.750 2.563 1.734 3.647 . 0 0 "[ . 1 . 2]" 1
1369 1 11 ARG QD 1 95 ILE H . . 5.340 4.977 4.084 5.352 0.012 11 0 "[ . 1 . 2]" 1
1370 1 11 ARG QD 1 95 ILE MD . . 4.180 3.502 2.687 4.135 . 0 0 "[ . 1 . 2]" 1
1371 1 12 GLU H 1 12 GLU QG . . 4.110 3.912 3.104 4.110 . 0 0 "[ . 1 . 2]" 1
1372 1 12 GLU QB 1 13 VAL H . . 3.940 3.802 3.460 3.951 0.011 3 0 "[ . 1 . 2]" 1
1373 1 12 GLU QB 1 92 THR MG . . 3.760 3.525 2.132 3.762 0.002 15 0 "[ . 1 . 2]" 1
1374 1 16 GLU HA 1 16 GLU QG . . 3.690 2.434 2.162 2.786 . 0 0 "[ . 1 . 2]" 1
1375 1 16 GLU QG 1 17 LYS H . . 4.650 4.304 4.014 4.656 0.006 9 0 "[ . 1 . 2]" 1
1376 1 16 GLU QG 1 90 SER HA . . 4.930 4.088 3.472 4.700 . 0 0 "[ . 1 . 2]" 1
1377 1 16 GLU QG 1 90 SER QB . . 5.100 4.141 3.322 4.768 . 0 0 "[ . 1 . 2]" 1
1378 1 17 LYS H 1 17 LYS QG . . 3.400 2.526 2.432 2.584 . 0 0 "[ . 1 . 2]" 1
1379 1 17 LYS HA 1 18 ARG QG . . 4.630 3.886 3.522 4.317 . 0 0 "[ . 1 . 2]" 1
1380 1 17 LYS HE2 1 17 LYS QG . . 3.720 2.573 2.450 2.785 . 0 0 "[ . 1 . 2]" 1
1381 1 17 LYS QG 1 17 LYS QZ . . 4.000 3.462 3.396 3.487 . 0 0 "[ . 1 . 2]" 1
1382 1 17 LYS QG 1 18 ARG H . . 4.370 2.674 2.548 2.862 . 0 0 "[ . 1 . 2]" 1
1383 1 17 LYS QG 1 18 ARG HA . . 5.340 3.576 3.474 3.717 . 0 0 "[ . 1 . 2]" 1
1384 1 17 LYS QG 1 89 THR HA . . 3.430 1.935 1.808 2.188 . 0 0 "[ . 1 . 2]" 1
1385 1 17 LYS QG 1 89 THR HB . . 4.130 3.772 3.489 4.117 . 0 0 "[ . 1 . 2]" 1
1386 1 17 LYS QG 1 90 SER H . . 4.180 3.449 3.334 3.516 . 0 0 "[ . 1 . 2]" 1
1387 1 18 ARG H 1 18 ARG QB . . 3.050 2.362 2.249 2.551 . 0 0 "[ . 1 . 2]" 1
1388 1 18 ARG H 1 18 ARG QG . . 3.400 3.006 2.391 3.335 . 0 0 "[ . 1 . 2]" 1
1389 1 18 ARG H 1 18 ARG QD . . 4.720 4.276 1.954 4.723 0.003 5 0 "[ . 1 . 2]" 1
1390 1 18 ARG H 1 21 GLU QG . . 4.180 3.002 2.489 3.565 . 0 0 "[ . 1 . 2]" 1
1391 1 18 ARG HA 1 18 ARG QG . . 3.320 2.447 2.156 3.075 . 0 0 "[ . 1 . 2]" 1
1392 1 18 ARG HA 1 18 ARG QD . . 4.110 3.053 2.041 3.863 . 0 0 "[ . 1 . 2]" 1
1393 1 18 ARG QB 1 18 ARG QD . . 3.130 2.185 2.053 2.686 . 0 0 "[ . 1 . 2]" 1
1394 1 18 ARG QB 1 19 ARG H . . 3.910 3.056 2.645 3.337 . 0 0 "[ . 1 . 2]" 1
1395 1 18 ARG QB 1 21 GLU H . . 4.580 4.399 4.196 4.577 . 0 0 "[ . 1 . 2]" 1
1396 1 18 ARG QB 1 21 GLU HB2 . . 3.520 2.378 2.112 2.537 . 0 0 "[ . 1 . 2]" 1
1397 1 18 ARG QB 1 21 GLU HB3 . . 4.120 3.168 2.798 3.522 . 0 0 "[ . 1 . 2]" 1
1398 1 18 ARG QG 1 19 ARG H . . 4.740 4.123 3.532 4.637 . 0 0 "[ . 1 . 2]" 1
1399 1 18 ARG QD 1 19 ARG H . . 5.340 3.993 3.057 5.119 . 0 0 "[ . 1 . 2]" 1
1400 1 18 ARG QD 1 89 THR MG . . 5.340 4.429 3.424 5.239 . 0 0 "[ . 1 . 2]" 1
1401 1 19 ARG H 1 19 ARG QB . . 3.000 2.218 2.157 2.278 . 0 0 "[ . 1 . 2]" 1
1402 1 19 ARG H 1 19 ARG QG . . 4.440 3.948 3.869 4.045 . 0 0 "[ . 1 . 2]" 1
1403 1 19 ARG H 1 19 ARG QD . . 5.340 4.369 3.756 4.695 . 0 0 "[ . 1 . 2]" 1
1404 1 19 ARG QB 1 20 GLY H . . 4.240 3.833 3.747 3.878 . 0 0 "[ . 1 . 2]" 1
1405 1 19 ARG QB 1 20 GLY HA3 . . 5.310 4.463 4.332 4.663 . 0 0 "[ . 1 . 2]" 1
1406 1 19 ARG QB 1 89 THR MG . . 3.490 2.447 2.280 2.778 . 0 0 "[ . 1 . 2]" 1
1407 1 19 ARG QG 1 20 GLY H . . 3.780 3.006 2.688 3.234 . 0 0 "[ . 1 . 2]" 1
1408 1 19 ARG QG 1 20 GLY HA3 . . 4.500 3.718 3.357 4.119 . 0 0 "[ . 1 . 2]" 1
1409 1 19 ARG QG 1 21 GLU H . . 5.340 4.989 4.794 5.176 . 0 0 "[ . 1 . 2]" 1
1410 1 19 ARG QG 1 87 SER HA . . 3.710 3.305 2.821 3.660 . 0 0 "[ . 1 . 2]" 1
1411 1 19 ARG QG 1 87 SER QB . . 4.890 4.080 3.233 4.742 . 0 0 "[ . 1 . 2]" 1
1412 1 21 GLU H 1 21 GLU QG . . 4.060 4.005 3.921 4.059 . 0 0 "[ . 1 . 2]" 1
1413 1 21 GLU HA 1 21 GLU QG . . 3.620 2.721 2.442 2.957 . 0 0 "[ . 1 . 2]" 1
1414 1 21 GLU QG 1 22 GLY H . . 4.990 3.042 2.675 3.381 . 0 0 "[ . 1 . 2]" 1
1415 1 21 GLU QG 1 22 GLY HA3 . . 5.180 4.134 3.941 4.297 . 0 0 "[ . 1 . 2]" 1
1416 1 21 GLU QG 1 49 PRO HG2 . . 4.750 4.500 4.242 4.751 0.001 18 0 "[ . 1 . 2]" 1
1417 1 21 GLU QG 1 49 PRO HG3 . . 4.370 3.024 2.752 3.316 . 0 0 "[ . 1 . 2]" 1
1418 1 21 GLU QG 1 49 PRO HD2 . . 4.620 4.155 3.865 4.379 . 0 0 "[ . 1 . 2]" 1
1419 1 21 GLU QG 1 49 PRO HD3 . . 4.550 3.092 2.800 3.510 . 0 0 "[ . 1 . 2]" 1
1420 1 24 GLY HA2 1 45 LEU QB . . 3.660 3.368 2.479 3.663 0.003 4 0 "[ . 1 . 2]" 1
1421 1 24 GLY HA3 1 45 LEU QB . . 3.720 3.208 2.374 3.528 . 0 0 "[ . 1 . 2]" 1
1422 1 26 ALA H 1 43 ASN QB . . 4.650 4.308 4.139 4.466 . 0 0 "[ . 1 . 2]" 1
1423 1 26 ALA MB 1 43 ASN QB . . 2.940 2.163 1.930 2.486 . 0 0 "[ . 1 . 2]" 1
1424 1 27 LEU H 1 75 LEU QD . . 4.550 4.150 3.669 4.551 0.001 19 0 "[ . 1 . 2]" 1
1425 1 27 LEU H 1 79 GLN QE . . 4.890 4.254 2.734 4.808 . 0 0 "[ . 1 . 2]" 1
1426 1 27 LEU HA 1 75 LEU QD . . 4.840 4.415 4.066 4.704 . 0 0 "[ . 1 . 2]" 1
1427 1 27 LEU HB2 1 75 LEU QD . . 3.400 2.877 2.569 3.218 . 0 0 "[ . 1 . 2]" 1
1428 1 27 LEU HB2 1 79 GLN QG . . 4.350 3.913 3.495 4.351 0.001 5 0 "[ . 1 . 2]" 1
1429 1 27 LEU HB3 1 75 LEU QD . . 3.690 3.505 2.980 3.689 . 0 0 "[ . 1 . 2]" 1
1430 1 27 LEU MD1 1 79 GLN QG . . 4.550 3.933 3.634 4.513 . 0 0 "[ . 1 . 2]" 1
1431 1 27 LEU MD2 1 41 ILE QG . . 3.130 2.064 1.860 2.249 . 0 0 "[ . 1 . 2]" 1
1432 1 27 LEU MD2 1 62 LEU QB . . 4.040 2.942 2.644 3.264 . 0 0 "[ . 1 . 2]" 1
1433 1 28 VAL H 1 75 LEU QD . . 3.950 3.315 2.998 3.531 . 0 0 "[ . 1 . 2]" 1
1434 1 28 VAL HA 1 75 LEU QD . . 3.220 2.039 1.802 2.305 . 0 0 "[ . 1 . 2]" 1
1435 1 29 GLU H 1 29 GLU QB . . 3.190 2.443 2.193 2.971 . 0 0 "[ . 1 . 2]" 1
1436 1 29 GLU H 1 29 GLU QG . . 4.470 3.298 1.846 4.171 . 0 0 "[ . 1 . 2]" 1
1437 1 29 GLU H 1 75 LEU QD . . 3.520 2.838 2.417 3.310 . 0 0 "[ . 1 . 2]" 1
1438 1 29 GLU QB 1 75 LEU H . . 4.750 3.962 2.280 4.737 . 0 0 "[ . 1 . 2]" 1
1439 1 29 GLU QB 1 75 LEU QB . . 4.020 2.671 1.908 3.701 . 0 0 "[ . 1 . 2]" 1
1440 1 29 GLU QB 1 75 LEU QD . . 3.510 2.901 2.047 3.513 0.003 10 0 "[ . 1 . 2]" 1
1441 1 29 GLU QG 1 75 LEU HA . . 5.200 4.122 3.215 5.200 . 0 0 "[ . 1 . 2]" 1
1442 1 29 GLU QG 1 75 LEU QB . . 4.240 2.399 1.716 3.227 . 0 0 "[ . 1 . 2]" 1
1443 1 29 GLU QG 1 75 LEU QD . . 4.010 2.941 1.835 3.900 . 0 0 "[ . 1 . 2]" 1
1444 1 30 SER H 1 30 SER QB . . 3.670 2.585 2.308 2.896 . 0 0 "[ . 1 . 2]" 1
1445 1 30 SER H 1 37 PRO QB . . 5.120 3.771 2.671 4.830 . 0 0 "[ . 1 . 2]" 1
1446 1 30 SER QB 1 38 THR H . . 4.500 3.491 2.341 4.421 . 0 0 "[ . 1 . 2]" 1
1447 1 30 SER QB 1 38 THR HB . . 5.280 4.750 3.724 5.249 . 0 0 "[ . 1 . 2]" 1
1448 1 30 SER QB 1 40 VAL HB . . 4.720 3.289 2.794 3.964 . 0 0 "[ . 1 . 2]" 1
1449 1 30 SER QB 1 40 VAL MG1 . . 4.540 3.888 3.386 4.370 . 0 0 "[ . 1 . 2]" 1
1450 1 30 SER QB 1 40 VAL MG2 . . 3.350 1.966 1.801 2.208 . 0 0 "[ . 1 . 2]" 1
1451 1 31 GLY QA 1 37 PRO HA . . 4.470 3.120 2.122 4.298 . 0 0 "[ . 1 . 2]" 1
1452 1 31 GLY QA 1 37 PRO QB . . 4.700 3.747 2.709 4.706 0.006 4 0 "[ . 1 . 2]" 1
1453 1 31 GLY QA 1 38 THR H . . 4.720 3.864 2.239 4.721 0.001 17 0 "[ . 1 . 2]" 1
1454 1 32 TRP HA 1 33 GLY QA . . 4.490 4.080 3.891 4.428 . 0 0 "[ . 1 . 2]" 1
1455 1 33 GLY QA 1 34 SER HA . . 4.090 3.961 3.930 4.046 . 0 0 "[ . 1 . 2]" 1
1456 1 35 LEU HA 1 35 LEU QD . . 3.100 2.382 1.907 3.152 0.052 20 0 "[ . 1 . 2]" 1
1457 1 35 LEU QB 1 36 LEU H . . 3.260 2.477 1.902 3.273 0.013 15 0 "[ . 1 . 2]" 1
1458 1 35 LEU QD 1 36 LEU H . . 4.590 3.372 1.776 4.102 . 0 0 "[ . 1 . 2]" 1
1459 1 36 LEU H 1 36 LEU QB . . 3.030 2.500 2.170 3.045 0.015 1 0 "[ . 1 . 2]" 1
1460 1 36 LEU H 1 36 LEU QD . . 4.730 2.654 1.745 3.842 . 0 0 "[ . 1 . 2]" 1
1461 1 36 LEU H 1 37 PRO QD . . 5.080 4.286 3.704 4.373 . 0 0 "[ . 1 . 2]" 1
1462 1 36 LEU HA 1 36 LEU QD . . 3.480 2.662 1.885 3.406 . 0 0 "[ . 1 . 2]" 1
1463 1 36 LEU QB 1 36 LEU QD . . 2.810 1.898 1.764 2.028 . 0 0 "[ . 1 . 2]" 1
1464 1 36 LEU QB 1 37 PRO QD . . 3.320 2.308 1.944 3.338 0.018 18 0 "[ . 1 . 2]" 1
1465 1 36 LEU QB 1 72 GLY H . . 4.990 4.285 3.777 4.990 0.000 18 0 "[ . 1 . 2]" 1
1466 1 36 LEU QB 1 72 GLY QA . . 4.290 2.661 1.948 4.031 . 0 0 "[ . 1 . 2]" 1
1467 1 36 LEU QD 1 37 PRO QD . . 3.330 2.634 1.839 3.368 0.038 6 0 "[ . 1 . 2]" 1
1468 1 38 THR HB 1 61 ARG QB . . 4.180 3.813 2.975 4.182 0.002 16 0 "[ . 1 . 2]" 1
1469 1 38 THR HB 1 61 ARG QD . . 4.680 3.600 2.569 4.186 . 0 0 "[ . 1 . 2]" 1
1470 1 38 THR MG 1 61 ARG QD . . 4.180 4.050 3.297 4.197 0.017 5 0 "[ . 1 . 2]" 1
1471 1 39 ALA MB 1 61 ARG QD . . 4.110 3.999 3.695 4.117 0.007 5 0 "[ . 1 . 2]" 1
1472 1 39 ALA MB 1 62 LEU QB . . 3.280 2.140 1.855 2.525 . 0 0 "[ . 1 . 2]" 1
1473 1 41 ILE H 1 41 ILE QG . . 3.050 2.123 1.975 2.368 . 0 0 "[ . 1 . 2]" 1
1474 1 41 ILE HA 1 41 ILE QG . . 3.260 2.445 2.390 2.510 . 0 0 "[ . 1 . 2]" 1
1475 1 41 ILE MG 1 58 ILE QG . . 4.250 2.769 2.264 3.995 . 0 0 "[ . 1 . 2]" 1
1476 1 41 ILE QG 1 59 GLY H . . 4.640 3.985 3.727 4.196 . 0 0 "[ . 1 . 2]" 1
1477 1 42 ALA MB 1 43 ASN QB . . 4.270 3.216 3.035 3.482 . 0 0 "[ . 1 . 2]" 1
1478 1 43 ASN HA 1 43 ASN QD . . 4.220 3.030 2.157 3.960 . 0 0 "[ . 1 . 2]" 1
1479 1 43 ASN HA 1 58 ILE QG . . 3.910 2.158 1.791 3.435 . 0 0 "[ . 1 . 2]" 1
1480 1 43 ASN QB 1 58 ILE MG . . 4.820 4.402 3.874 4.807 . 0 0 "[ . 1 . 2]" 1
1481 1 43 ASN QD 1 44 LEU H . . 4.020 3.132 2.637 4.014 . 0 0 "[ . 1 . 2]" 1
1482 1 43 ASN QD 1 58 ILE MD . . 5.340 3.458 2.363 4.582 . 0 0 "[ . 1 . 2]" 1
1483 1 44 LEU HB2 1 51 GLU QG . . 4.560 3.634 3.291 4.259 . 0 0 "[ . 1 . 2]" 1
1484 1 44 LEU MD1 1 57 SER QB . . 4.310 3.603 3.397 3.859 . 0 0 "[ . 1 . 2]" 1
1485 1 45 LEU H 1 45 LEU QB . . 2.930 2.321 2.227 2.397 . 0 0 "[ . 1 . 2]" 1
1486 1 45 LEU QB 1 48 GLY H . . 4.600 3.322 2.917 4.058 . 0 0 "[ . 1 . 2]" 1
1487 1 45 LEU QB 1 48 GLY HA3 . . 4.440 3.429 3.081 3.729 . 0 0 "[ . 1 . 2]" 1
1488 1 46 HIS HA 1 47 GLY QA . . 5.000 3.898 3.894 3.904 . 0 0 "[ . 1 . 2]" 1
1489 1 46 HIS HA 1 51 GLU QG . . 3.740 1.965 1.840 2.053 . 0 0 "[ . 1 . 2]" 1
1490 1 46 HIS HB3 1 47 GLY QA . . 4.850 4.177 4.108 4.228 . 0 0 "[ . 1 . 2]" 1
1491 1 47 GLY H 1 51 GLU QG . . 5.000 2.773 2.442 3.051 . 0 0 "[ . 1 . 2]" 1
1492 1 49 PRO HA 1 52 ARG QG . . 3.550 2.238 2.021 2.528 . 0 0 "[ . 1 . 2]" 1
1493 1 49 PRO HA 1 52 ARG QD . . 4.280 2.425 1.887 3.163 . 0 0 "[ . 1 . 2]" 1
1494 1 51 GLU H 1 51 GLU QG . . 4.640 4.046 3.981 4.089 . 0 0 "[ . 1 . 2]" 1
1495 1 51 GLU HA 1 51 GLU QG . . 3.250 2.743 2.363 3.120 . 0 0 "[ . 1 . 2]" 1
1496 1 51 GLU QG 1 52 ARG H . . 4.410 3.881 3.486 4.200 . 0 0 "[ . 1 . 2]" 1
1497 1 51 GLU QG 1 52 ARG HA . . 4.620 4.103 3.489 4.619 . 0 0 "[ . 1 . 2]" 1
1498 1 52 ARG H 1 52 ARG QG . . 3.010 2.416 2.254 2.639 . 0 0 "[ . 1 . 2]" 1
1499 1 52 ARG HA 1 52 ARG QG . . 3.640 3.339 3.329 3.344 . 0 0 "[ . 1 . 2]" 1
1500 1 52 ARG HB2 1 52 ARG QD . . 3.560 2.522 2.108 2.787 . 0 0 "[ . 1 . 2]" 1
1501 1 52 ARG HB3 1 52 ARG QD . . 3.680 2.691 2.318 3.208 . 0 0 "[ . 1 . 2]" 1
1502 1 52 ARG QG 1 53 SER H . . 3.890 2.209 2.010 2.401 . 0 0 "[ . 1 . 2]" 1
1503 1 57 SER H 1 57 SER QB . . 3.390 3.080 2.620 3.285 . 0 0 "[ . 1 . 2]" 1
1504 1 57 SER QB 1 58 ILE H . . 3.370 2.346 1.944 3.142 . 0 0 "[ . 1 . 2]" 1
1505 1 58 ILE H 1 58 ILE QG . . 3.200 2.333 1.885 2.984 . 0 0 "[ . 1 . 2]" 1
1506 1 58 ILE HA 1 58 ILE QG . . 3.550 2.469 2.246 3.228 . 0 0 "[ . 1 . 2]" 1
1507 1 58 ILE QG 1 58 ILE MG . . 3.290 2.070 1.946 2.268 . 0 0 "[ . 1 . 2]" 1
1508 1 61 ARG H 1 61 ARG QG . . 4.350 3.648 2.439 4.194 . 0 0 "[ . 1 . 2]" 1
1509 1 61 ARG H 1 61 ARG QD . . 4.880 3.996 3.655 4.189 . 0 0 "[ . 1 . 2]" 1
1510 1 61 ARG H 1 96 VAL QG . . 5.090 4.547 2.525 5.091 0.001 11 0 "[ . 1 . 2]" 1
1511 1 61 ARG HA 1 61 ARG QD . . 4.600 3.456 3.319 3.665 . 0 0 "[ . 1 . 2]" 1
1512 1 61 ARG QB 1 61 ARG QD . . 3.150 2.159 2.035 2.302 . 0 0 "[ . 1 . 2]" 1
1513 1 61 ARG QB 1 96 VAL H . . 4.820 3.857 3.294 4.785 . 0 0 "[ . 1 . 2]" 1
1514 1 61 ARG QB 1 96 VAL QG . . 4.110 3.599 2.066 3.906 . 0 0 "[ . 1 . 2]" 1
1515 1 61 ARG QD 1 62 LEU QB . . 4.330 4.197 3.974 4.331 0.001 20 0 "[ . 1 . 2]" 1
1516 1 61 ARG QD 1 95 ILE HB . . 4.720 4.305 3.770 4.687 . 0 0 "[ . 1 . 2]" 1
1517 1 61 ARG QD 1 95 ILE MG . . 4.590 4.106 3.877 4.535 . 0 0 "[ . 1 . 2]" 1
1518 1 61 ARG QD 1 96 VAL HB . . 4.880 4.004 3.142 4.736 . 0 0 "[ . 1 . 2]" 1
1519 1 61 ARG QD 1 96 VAL QG . . 3.850 2.699 1.904 3.733 . 0 0 "[ . 1 . 2]" 1
1520 1 62 LEU H 1 62 LEU QB . . 3.190 2.260 2.168 2.353 . 0 0 "[ . 1 . 2]" 1
1521 1 62 LEU QB 1 62 LEU MD2 . . 3.020 2.100 2.002 2.178 . 0 0 "[ . 1 . 2]" 1
1522 1 62 LEU QB 1 63 THR H . . 4.290 3.583 3.468 3.681 . 0 0 "[ . 1 . 2]" 1
1523 1 62 LEU QB 1 95 ILE MG . . 4.670 3.252 2.912 3.829 . 0 0 "[ . 1 . 2]" 1
1524 1 63 THR HA 1 71 VAL QG . . 3.480 2.999 1.968 3.481 0.001 3 0 "[ . 1 . 2]" 1
1525 1 63 THR HB 1 71 VAL QG . . 3.210 2.796 2.001 3.218 0.008 14 0 "[ . 1 . 2]" 1
1526 1 63 THR MG 1 94 SER QB . . 4.550 3.605 2.809 4.121 . 0 0 "[ . 1 . 2]" 1
1527 1 64 ALA H 1 94 SER QB . . 3.350 2.862 2.421 3.353 0.003 18 0 "[ . 1 . 2]" 1
1528 1 64 ALA MB 1 67 GLY QA . . 4.400 3.499 3.315 3.624 . 0 0 "[ . 1 . 2]" 1
1529 1 64 ALA MB 1 69 SER QB . . 4.470 3.509 3.149 3.783 . 0 0 "[ . 1 . 2]" 1
1530 1 64 ALA MB 1 94 SER QB . . 3.110 2.936 2.573 3.117 0.007 5 0 "[ . 1 . 2]" 1
1531 1 65 ILE HA 1 65 ILE QG . . 3.700 2.349 2.266 2.485 . 0 0 "[ . 1 . 2]" 1
1532 1 65 ILE MG 1 66 ASN QB . . 3.890 2.738 2.334 3.190 . 0 0 "[ . 1 . 2]" 1
1533 1 65 ILE MG 1 66 ASN QD . . 3.460 2.019 1.711 2.534 . 0 0 "[ . 1 . 2]" 1
1534 1 65 ILE QG 1 66 ASN H . . 4.360 4.145 3.889 4.364 0.004 3 0 "[ . 1 . 2]" 1
1535 1 65 ILE QG 1 66 ASN QD . . 5.120 4.570 3.719 5.116 . 0 0 "[ . 1 . 2]" 1
1536 1 66 ASN QB 1 66 ASN QD . . 3.080 2.147 2.062 2.588 . 0 0 "[ . 1 . 2]" 1
1537 1 66 ASN QB 1 67 GLY H . . 4.270 3.855 3.737 4.046 . 0 0 "[ . 1 . 2]" 1
1538 1 66 ASN QB 1 68 THR H . . 4.870 4.146 3.432 4.735 . 0 0 "[ . 1 . 2]" 1
1539 1 66 ASN QD 1 85 THR MG . . 3.630 2.289 1.726 3.281 . 0 0 "[ . 1 . 2]" 1
1540 1 66 ASN QD 1 91 VAL MG1 . . 3.910 2.788 1.854 3.415 . 0 0 "[ . 1 . 2]" 1
1541 1 66 ASN QD 1 91 VAL MG2 . . 4.400 2.931 2.096 4.001 . 0 0 "[ . 1 . 2]" 1
1542 1 66 ASN QD 1 92 THR H . . 4.540 2.826 1.709 3.822 . 0 0 "[ . 1 . 2]" 1
1543 1 68 THR MG 1 69 SER QB . . 5.050 4.449 3.912 4.815 . 0 0 "[ . 1 . 2]" 1
1544 1 69 SER H 1 69 SER QB . . 3.200 2.495 2.136 2.827 . 0 0 "[ . 1 . 2]" 1
1545 1 69 SER QB 1 70 LEU H . . 4.360 3.642 3.288 4.004 . 0 0 "[ . 1 . 2]" 1
1546 1 70 LEU H 1 71 VAL QG . . 4.040 3.496 3.079 3.949 . 0 0 "[ . 1 . 2]" 1
1547 1 71 VAL H 1 71 VAL QG . . 2.960 2.172 1.938 2.530 . 0 0 "[ . 1 . 2]" 1
1548 1 71 VAL HA 1 72 GLY QA . . 4.570 3.910 3.889 3.979 . 0 0 "[ . 1 . 2]" 1
1549 1 71 VAL QG 1 72 GLY H . . 3.420 2.776 1.923 3.352 . 0 0 "[ . 1 . 2]" 1
1550 1 71 VAL QG 1 72 GLY QA . . 3.620 3.075 2.808 3.311 . 0 0 "[ . 1 . 2]" 1
1551 1 71 VAL QG 1 73 LEU H . . 4.900 4.339 3.776 4.675 . 0 0 "[ . 1 . 2]" 1
1552 1 73 LEU HB3 1 74 PRO QG . . 4.680 3.602 3.557 3.679 . 0 0 "[ . 1 . 2]" 1
1553 1 73 LEU MD2 1 74 PRO QG . . 4.370 3.541 3.193 3.841 . 0 0 "[ . 1 . 2]" 1
1554 1 74 PRO HA 1 75 LEU QB . . 5.140 4.177 4.132 4.250 . 0 0 "[ . 1 . 2]" 1
1555 1 74 PRO QG 1 76 ALA MB . . 4.810 3.001 2.755 3.205 . 0 0 "[ . 1 . 2]" 1
1556 1 74 PRO QG 1 77 ALA MB . . 3.630 2.450 2.336 2.605 . 0 0 "[ . 1 . 2]" 1
1557 1 75 LEU H 1 75 LEU QB . . 3.160 2.241 2.156 2.273 . 0 0 "[ . 1 . 2]" 1
1558 1 75 LEU H 1 75 LEU QD . . 4.490 3.674 3.586 3.737 . 0 0 "[ . 1 . 2]" 1
1559 1 75 LEU HA 1 75 LEU QD . . 2.950 2.239 1.963 2.589 . 0 0 "[ . 1 . 2]" 1
1560 1 75 LEU QB 1 75 LEU QD . . 2.760 1.884 1.821 1.931 . 0 0 "[ . 1 . 2]" 1
1561 1 75 LEU QB 1 76 ALA H . . 3.360 2.485 2.334 2.703 . 0 0 "[ . 1 . 2]" 1
1562 1 75 LEU HG 1 79 GLN QG . . 4.620 2.350 2.011 3.059 . 0 0 "[ . 1 . 2]" 1
1563 1 75 LEU QD 1 76 ALA H . . 4.730 3.709 3.485 3.860 . 0 0 "[ . 1 . 2]" 1
1564 1 75 LEU QD 1 76 ALA HA . . 4.980 4.044 3.805 4.331 . 0 0 "[ . 1 . 2]" 1
1565 1 75 LEU QD 1 78 CYS H . . 5.350 4.329 3.898 4.538 . 0 0 "[ . 1 . 2]" 1
1566 1 75 LEU QD 1 78 CYS HB2 . . 3.810 2.880 2.365 3.118 . 0 0 "[ . 1 . 2]" 1
1567 1 75 LEU QD 1 78 CYS HB3 . . 4.480 4.019 3.620 4.336 . 0 0 "[ . 1 . 2]" 1
1568 1 75 LEU QD 1 79 GLN H . . 4.460 3.546 3.087 4.024 . 0 0 "[ . 1 . 2]" 1
1569 1 75 LEU QD 1 79 GLN HA . . 5.370 4.171 3.833 4.520 . 0 0 "[ . 1 . 2]" 1
1570 1 75 LEU QD 1 79 GLN HB2 . . 3.980 3.826 3.577 3.982 0.002 18 0 "[ . 1 . 2]" 1
1571 1 75 LEU QD 1 79 GLN QG . . 3.570 2.209 1.865 2.975 . 0 0 "[ . 1 . 2]" 1
1572 1 75 LEU QD 1 79 GLN QE . . 3.580 2.488 1.831 3.264 . 0 0 "[ . 1 . 2]" 1
1573 1 76 ALA HA 1 79 GLN QG . . 4.490 3.697 3.208 4.197 . 0 0 "[ . 1 . 2]" 1
1574 1 79 GLN H 1 79 GLN QG . . 3.850 2.801 2.447 3.562 . 0 0 "[ . 1 . 2]" 1
1575 1 79 GLN HA 1 79 GLN QG . . 3.300 2.309 2.141 2.740 . 0 0 "[ . 1 . 2]" 1
1576 1 80 ALA HA 1 83 ARG QB . . 3.420 2.947 2.582 3.421 0.001 17 0 "[ . 1 . 2]" 1
1577 1 80 ALA HA 1 83 ARG QG . . 4.370 3.445 2.197 4.318 . 0 0 "[ . 1 . 2]" 1
1578 1 80 ALA MB 1 83 ARG QB . . 4.800 4.227 3.888 4.740 . 0 0 "[ . 1 . 2]" 1
1579 1 81 ALA HA 1 84 GLU QB . . 3.580 2.953 2.545 3.301 . 0 0 "[ . 1 . 2]" 1
1580 1 81 ALA HA 1 84 GLU QG . . 4.100 2.929 2.095 3.600 . 0 0 "[ . 1 . 2]" 1
1581 1 81 ALA MB 1 84 GLU QB . . 4.600 4.055 3.710 4.605 0.005 19 0 "[ . 1 . 2]" 1
1582 1 83 ARG H 1 83 ARG QB . . 3.020 2.244 2.164 2.415 . 0 0 "[ . 1 . 2]" 1
1583 1 83 ARG H 1 83 ARG QG . . 3.450 2.820 2.333 3.451 0.001 11 0 "[ . 1 . 2]" 1
1584 1 83 ARG H 1 83 ARG QD . . 5.050 4.008 2.124 4.625 . 0 0 "[ . 1 . 2]" 1
1585 1 83 ARG HA 1 83 ARG QG . . 3.410 2.560 2.143 3.303 . 0 0 "[ . 1 . 2]" 1
1586 1 83 ARG HA 1 83 ARG QD . . 4.830 3.506 2.010 4.468 . 0 0 "[ . 1 . 2]" 1
1587 1 83 ARG QB 1 83 ARG QD . . 3.090 2.230 2.054 2.530 . 0 0 "[ . 1 . 2]" 1
1588 1 84 GLU H 1 84 GLU QB . . 2.930 2.310 2.175 2.481 . 0 0 "[ . 1 . 2]" 1
1589 1 84 GLU H 1 84 GLU QG . . 3.320 2.498 2.089 2.901 . 0 0 "[ . 1 . 2]" 1
1590 1 84 GLU HA 1 84 GLU QG . . 3.530 2.648 2.268 3.324 . 0 0 "[ . 1 . 2]" 1
1591 1 84 GLU QB 1 85 THR H . . 3.800 2.773 2.327 3.730 . 0 0 "[ . 1 . 2]" 1
1592 1 84 GLU QB 1 85 THR MG . . 4.490 3.595 3.122 4.465 . 0 0 "[ . 1 . 2]" 1
1593 1 84 GLU QG 1 85 THR H . . 4.790 3.868 2.250 4.418 . 0 0 "[ . 1 . 2]" 1
1594 1 85 THR HA 1 88 GLN QB . . 4.090 3.086 2.022 4.009 . 0 0 "[ . 1 . 2]" 1
1595 1 85 THR HA 1 88 GLN QE . . 4.780 3.243 1.949 4.662 . 0 0 "[ . 1 . 2]" 1
1596 1 85 THR MG 1 88 GLN QB . . 5.340 4.046 3.248 5.008 . 0 0 "[ . 1 . 2]" 1
1597 1 85 THR MG 1 88 GLN QE . . 4.820 3.621 2.534 4.721 . 0 0 "[ . 1 . 2]" 1
1598 1 86 LYS H 1 86 LYS QB . . 2.820 2.237 2.218 2.256 . 0 0 "[ . 1 . 2]" 1
1599 1 86 LYS QB 1 86 LYS HD3 . . 3.610 2.418 2.260 2.591 . 0 0 "[ . 1 . 2]" 1
1600 1 86 LYS QB 1 86 LYS HE2 . . 4.460 4.008 3.859 4.258 . 0 0 "[ . 1 . 2]" 1
1601 1 86 LYS QB 1 86 LYS HE3 . . 4.740 3.907 3.671 4.058 . 0 0 "[ . 1 . 2]" 1
1602 1 86 LYS QB 1 87 SER H . . 4.300 2.621 2.111 3.175 . 0 0 "[ . 1 . 2]" 1
1603 1 87 SER QB 1 88 GLN H . . 4.350 2.577 2.080 3.631 . 0 0 "[ . 1 . 2]" 1
1604 1 88 GLN H 1 88 GLN QB . . 3.110 2.515 2.152 2.905 . 0 0 "[ . 1 . 2]" 1
1605 1 88 GLN H 1 88 GLN QG . . 3.130 2.355 1.909 3.000 . 0 0 "[ . 1 . 2]" 1
1606 1 88 GLN QB 1 89 THR H . . 3.570 2.771 2.321 3.342 . 0 0 "[ . 1 . 2]" 1
1607 1 88 GLN QB 1 90 SER H . . 3.370 2.406 2.152 2.837 . 0 0 "[ . 1 . 2]" 1
1608 1 88 GLN QB 1 91 VAL MG2 . . 3.830 3.572 3.293 3.852 0.022 11 0 "[ . 1 . 2]" 1
1609 1 88 GLN QG 1 89 THR H . . 4.520 4.082 3.844 4.321 . 0 0 "[ . 1 . 2]" 1
1610 1 88 GLN QG 1 90 SER H . . 4.290 3.782 2.201 4.325 0.035 13 0 "[ . 1 . 2]" 1
1611 1 90 SER H 1 90 SER QB . . 3.400 2.928 2.589 3.195 . 0 0 "[ . 1 . 2]" 1
1612 1 90 SER QB 1 91 VAL H . . 3.700 3.017 2.509 3.644 . 0 0 "[ . 1 . 2]" 1
1613 1 92 THR MG 1 94 SER QB . . 5.340 4.320 3.744 5.051 . 0 0 "[ . 1 . 2]" 1
1614 1 93 LEU HA 1 94 SER QB . . 4.540 4.093 3.936 4.356 . 0 0 "[ . 1 . 2]" 1
1615 1 94 SER H 1 94 SER QB . . 3.390 2.537 2.337 3.026 . 0 0 "[ . 1 . 2]" 1
1616 1 94 SER QB 1 95 ILE H . . 4.160 3.521 3.093 3.872 . 0 0 "[ . 1 . 2]" 1
1617 1 95 ILE HA 1 96 VAL QG . . 4.240 3.507 3.297 4.203 . 0 0 "[ . 1 . 2]" 1
1618 1 95 ILE MD 1 97 HIS QB . . 4.050 3.165 2.139 3.877 . 0 0 "[ . 1 . 2]" 1
1619 1 96 VAL H 1 96 VAL QG . . 3.620 2.339 1.850 2.550 . 0 0 "[ . 1 . 2]" 1
1620 1 96 VAL HA 1 97 HIS QB . . 5.050 4.131 4.000 4.414 . 0 0 "[ . 1 . 2]" 1
1621 1 96 VAL QG 1 97 HIS H . . 3.620 2.659 2.001 3.471 . 0 0 "[ . 1 . 2]" 1
1622 1 97 HIS H 1 97 HIS QB . . 3.460 2.386 2.171 2.836 . 0 0 "[ . 1 . 2]" 1
1623 1 97 HIS QB 1 98 CYS H . . 4.360 3.680 2.386 4.029 . 0 0 "[ . 1 . 2]" 1
1624 1 98 CYS HA 1 99 PRO QG . . 4.420 3.914 3.771 4.037 . 0 0 "[ . 1 . 2]" 1
1625 1 98 CYS QB 1 99 PRO QD . . 3.820 2.588 1.982 3.780 . 0 0 "[ . 1 . 2]" 1
1626 1 99 PRO HA 1 100 PRO QD . . 2.810 2.045 1.885 2.174 . 0 0 "[ . 1 . 2]" 1
1627 1 99 PRO QB 1 100 PRO QD . . 3.230 2.410 1.999 3.022 . 0 0 "[ . 1 . 2]" 1
1628 1 100 PRO QB 1 101 VAL H . . 3.810 3.213 2.397 3.779 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.058
_Distance_constraint_stats_list.Viol_max 0.003
_Distance_constraint_stats_list.Viol_rms 0.0007
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0029
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 30 SER 0.003 0.003 17 0 "[ . 1 . 2]"
1 31 GLY 0.003 0.003 17 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 30 SER HA 1 31 GLY H . . 3.000 2.408 2.150 3.003 0.003 17 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 18
_Distance_constraint_stats_list.Viol_count 336
_Distance_constraint_stats_list.Viol_total 832.552
_Distance_constraint_stats_list.Viol_max 0.555
_Distance_constraint_stats_list.Viol_rms 0.0906
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1156
_Distance_constraint_stats_list.Viol_average_violations_only 0.1239
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 13 VAL 5.016 0.227 14 0 "[ . 1 . 2]"
1 14 HIS 1.444 0.107 19 0 "[ . 1 . 2]"
1 15 LEU 3.898 0.213 13 0 "[ . 1 . 2]"
1 22 GLY 3.924 0.555 6 1 "[ .+ 1 . 2]"
1 26 ALA 8.713 0.281 15 0 "[ . 1 . 2]"
1 43 ASN 8.713 0.281 15 0 "[ . 1 . 2]"
1 63 THR 1.818 0.196 14 0 "[ . 1 . 2]"
1 75 LEU 2.071 0.174 5 0 "[ . 1 . 2]"
1 76 ALA 5.417 0.215 10 0 "[ . 1 . 2]"
1 77 ALA 5.893 0.276 18 0 "[ . 1 . 2]"
1 78 CYS 3.435 0.235 13 0 "[ . 1 . 2]"
1 79 GLN 2.071 0.174 5 0 "[ . 1 . 2]"
1 80 ALA 5.417 0.215 10 0 "[ . 1 . 2]"
1 81 ALA 5.893 0.276 18 0 "[ . 1 . 2]"
1 82 VAL 3.435 0.235 13 0 "[ . 1 . 2]"
1 86 LYS 3.924 0.555 6 1 "[ .+ 1 . 2]"
1 91 VAL 3.898 0.213 13 0 "[ . 1 . 2]"
1 92 THR 1.444 0.107 19 0 "[ . 1 . 2]"
1 93 LEU 5.016 0.227 14 0 "[ . 1 . 2]"
1 94 SER 1.818 0.196 14 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 13 VAL O 1 93 LEU H . . 1.800 1.936 1.840 2.003 0.203 14 0 "[ . 1 . 2]" 3
2 1 13 VAL O 1 93 LEU N . . 2.700 2.815 2.721 2.927 0.227 14 0 "[ . 1 . 2]" 3
3 1 14 HIS HA 1 92 THR HA . . 2.000 2.072 2.001 2.107 0.107 19 0 "[ . 1 . 2]" 3
4 1 15 LEU H 1 91 VAL O . . 1.800 1.990 1.889 2.013 0.213 13 0 "[ . 1 . 2]" 3
5 1 15 LEU N 1 91 VAL O . . 2.700 2.699 2.681 2.753 0.053 10 0 "[ . 1 . 2]" 3
6 1 26 ALA O 1 43 ASN H . . 1.800 1.992 1.899 2.009 0.209 18 0 "[ . 1 . 2]" 3
7 1 26 ALA O 1 43 ASN N . . 2.700 2.944 2.855 2.981 0.281 15 0 "[ . 1 . 2]" 3
8 1 75 LEU O 1 79 GLN H . . 1.800 1.836 1.799 1.936 0.136 5 0 "[ . 1 . 2]" 3
9 1 75 LEU O 1 79 GLN N . . 2.700 2.767 2.700 2.874 0.174 5 0 "[ . 1 . 2]" 3
10 1 76 ALA O 1 80 ALA H . . 1.800 1.959 1.846 2.001 0.201 3 0 "[ . 1 . 2]" 3
11 1 76 ALA O 1 80 ALA N . . 2.700 2.812 2.701 2.915 0.215 10 0 "[ . 1 . 2]" 3
12 1 77 ALA O 1 81 ALA H . . 1.800 1.952 1.803 2.002 0.202 14 0 "[ . 1 . 2]" 3
13 1 77 ALA O 1 81 ALA N . . 2.700 2.843 2.706 2.976 0.276 18 0 "[ . 1 . 2]" 3
14 1 78 CYS O 1 82 VAL H . . 1.800 1.873 1.798 1.997 0.197 13 0 "[ . 1 . 2]" 3
15 1 78 CYS O 1 82 VAL N . . 2.700 2.799 2.700 2.935 0.235 13 0 "[ . 1 . 2]" 3
16 1 63 THR H 1 94 SER O . . 1.900 1.951 1.899 2.096 0.196 14 0 "[ . 1 . 2]" 3
17 1 63 THR N 1 94 SER O . . 2.800 2.839 2.791 2.985 0.185 14 0 "[ . 1 . 2]" 3
18 1 22 GLY H 1 86 LYS HA . . 5.000 5.196 5.001 5.555 0.555 6 1 "[ .+ 1 . 2]" 3
stop_
save_
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