Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
420102 | 2eeb RC | 10161 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2eeb
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 1694
_Distance_constraint_stats_list.Viol_count 205
_Distance_constraint_stats_list.Viol_total 37.709
_Distance_constraint_stats_list.Viol_max 0.114
_Distance_constraint_stats_list.Viol_rms 0.0018
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0092
_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 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASP 0.049 0.025 10 0 "[ . 1 . 2]"
1 11 ALA 0.045 0.025 10 0 "[ . 1 . 2]"
1 12 ARG 0.088 0.060 11 0 "[ . 1 . 2]"
1 13 ARG 0.146 0.060 11 0 "[ . 1 . 2]"
1 14 LEU 0.003 0.001 6 0 "[ . 1 . 2]"
1 15 THR 0.001 0.001 12 0 "[ . 1 . 2]"
1 16 VAL 0.001 0.001 17 0 "[ . 1 . 2]"
1 17 MET 0.000 0.000 18 0 "[ . 1 . 2]"
1 18 SER 0.006 0.006 6 0 "[ . 1 . 2]"
1 19 LEU 0.009 0.006 6 0 "[ . 1 . 2]"
1 20 GLN 0.014 0.012 17 0 "[ . 1 . 2]"
1 21 GLU 0.003 0.003 18 0 "[ . 1 . 2]"
1 22 SER 0.001 0.001 20 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 0.066 0.012 17 0 "[ . 1 . 2]"
1 25 LYS 0.009 0.008 13 0 "[ . 1 . 2]"
1 26 VAL 0.032 0.011 13 0 "[ . 1 . 2]"
1 27 ASN 0.015 0.007 13 0 "[ . 1 . 2]"
1 28 GLN 0.196 0.089 20 0 "[ . 1 . 2]"
1 29 PRO 0.042 0.017 13 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 PHE 0.004 0.001 17 0 "[ . 1 . 2]"
1 33 ALA 0.003 0.003 19 0 "[ . 1 . 2]"
1 34 ILE 0.001 0.001 11 0 "[ . 1 . 2]"
1 35 ARG 0.014 0.005 17 0 "[ . 1 . 2]"
1 36 LEU 0.006 0.002 13 0 "[ . 1 . 2]"
1 37 ASN 0.000 0.000 14 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ALA 0.047 0.023 16 0 "[ . 1 . 2]"
1 40 LYS 0.047 0.023 16 0 "[ . 1 . 2]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LYS 0.002 0.002 16 0 "[ . 1 . 2]"
1 43 ILE 0.002 0.002 16 0 "[ . 1 . 2]"
1 44 ASP 0.000 0.000 4 0 "[ . 1 . 2]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LYS 0.003 0.003 6 0 "[ . 1 . 2]"
1 47 VAL 0.009 0.005 11 0 "[ . 1 . 2]"
1 48 HIS 0.006 0.002 6 0 "[ . 1 . 2]"
1 49 SER 0.051 0.045 4 0 "[ . 1 . 2]"
1 50 PRO 0.046 0.045 4 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ALA 0.001 0.001 1 0 "[ . 1 . 2]"
1 54 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLU 0.068 0.063 11 0 "[ . 1 . 2]"
1 56 GLU 0.478 0.114 6 0 "[ . 1 . 2]"
1 57 CYS 0.026 0.014 11 0 "[ . 1 . 2]"
1 58 HIS 0.003 0.002 15 0 "[ . 1 . 2]"
1 59 VAL 0.004 0.002 15 0 "[ . 1 . 2]"
1 60 SER 0.007 0.005 16 0 "[ . 1 . 2]"
1 61 GLU 0.003 0.002 16 0 "[ . 1 . 2]"
1 62 LEU 0.007 0.003 13 0 "[ . 1 . 2]"
1 63 GLU 0.152 0.085 2 0 "[ . 1 . 2]"
1 64 PRO 0.136 0.045 2 0 "[ . 1 . 2]"
1 65 ASP 0.067 0.036 13 0 "[ . 1 . 2]"
1 66 LYS 0.195 0.085 2 0 "[ . 1 . 2]"
1 67 TYR 0.020 0.006 13 0 "[ . 1 . 2]"
1 68 ALA 0.002 0.002 16 0 "[ . 1 . 2]"
1 69 VAL 0.005 0.004 2 0 "[ . 1 . 2]"
1 70 ARG 0.041 0.017 13 0 "[ . 1 . 2]"
1 71 PHE 0.015 0.012 13 0 "[ . 1 . 2]"
1 72 ILE 0.036 0.007 13 0 "[ . 1 . 2]"
1 73 PRO 0.042 0.011 13 0 "[ . 1 . 2]"
1 74 HIS 0.051 0.010 4 0 "[ . 1 . 2]"
1 75 GLU 0.040 0.021 14 0 "[ . 1 . 2]"
1 76 ASN 0.039 0.021 14 0 "[ . 1 . 2]"
1 77 GLY 0.002 0.002 17 0 "[ . 1 . 2]"
1 78 VAL 0.002 0.001 16 0 "[ . 1 . 2]"
1 79 HIS 0.005 0.002 17 0 "[ . 1 . 2]"
1 80 THR 0.003 0.002 6 0 "[ . 1 . 2]"
1 81 ILE 0.004 0.003 12 0 "[ . 1 . 2]"
1 82 ASP 0.007 0.004 2 0 "[ . 1 . 2]"
1 83 VAL 0.003 0.001 15 0 "[ . 1 . 2]"
1 84 LYS 0.012 0.010 15 0 "[ . 1 . 2]"
1 85 PHE 0.004 0.003 16 0 "[ . 1 . 2]"
1 86 ASN 0.072 0.072 18 0 "[ . 1 . 2]"
1 87 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 SER 0.061 0.044 15 0 "[ . 1 . 2]"
1 89 HIS 0.025 0.006 15 0 "[ . 1 . 2]"
1 90 VAL 0.010 0.002 9 0 "[ . 1 . 2]"
1 91 VAL 0.035 0.011 14 0 "[ . 1 . 2]"
1 92 GLY 0.032 0.011 14 0 "[ . 1 . 2]"
1 93 SER 0.041 0.007 19 0 "[ . 1 . 2]"
1 94 PRO 0.000 0.000 8 0 "[ . 1 . 2]"
1 95 PHE 0.004 0.003 12 0 "[ . 1 . 2]"
1 96 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 VAL 0.002 0.001 10 0 "[ . 1 . 2]"
1 98 ARG 0.004 0.002 10 0 "[ . 1 . 2]"
1 99 VAL 0.004 0.002 10 0 "[ . 1 . 2]"
1 100 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 GLU 0.004 0.004 6 0 "[ . 1 . 2]"
1 102 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 ASP QB 1 10 ASP H . . 3.270 2.456 2.044 2.965 . 0 0 "[ . 1 . 2]" 1
2 1 9 ASP QB 1 11 ALA H . . 4.920 3.156 2.636 3.881 . 0 0 "[ . 1 . 2]" 1
3 1 9 ASP QB 1 85 PHE QE . . 4.290 3.721 2.547 4.285 . 0 0 "[ . 1 . 2]" 1
4 1 9 ASP HB2 1 10 ASP H . . 4.100 3.154 2.058 4.045 . 0 0 "[ . 1 . 2]" 1
5 1 9 ASP HB2 1 85 PHE QD . . 4.760 3.904 2.919 4.714 . 0 0 "[ . 1 . 2]" 1
6 1 9 ASP HB3 1 10 ASP H . . 4.100 2.904 2.157 3.845 . 0 0 "[ . 1 . 2]" 1
7 1 9 ASP HB3 1 85 PHE QD . . 4.760 3.739 2.051 4.668 . 0 0 "[ . 1 . 2]" 1
8 1 10 ASP H 1 10 ASP HB2 . . 4.180 2.857 2.352 3.692 . 0 0 "[ . 1 . 2]" 1
9 1 10 ASP H 1 10 ASP QB . . 3.480 2.703 2.322 3.391 . 0 0 "[ . 1 . 2]" 1
10 1 10 ASP H 1 10 ASP HB3 . . 4.180 3.648 3.125 3.952 . 0 0 "[ . 1 . 2]" 1
11 1 10 ASP H 1 11 ALA H . . 3.770 3.257 2.593 3.772 0.002 19 0 "[ . 1 . 2]" 1
12 1 10 ASP HA 1 11 ALA H . . 3.110 2.606 2.271 2.843 . 0 0 "[ . 1 . 2]" 1
13 1 10 ASP HA 1 11 ALA MB . . 4.840 4.375 4.175 4.503 . 0 0 "[ . 1 . 2]" 1
14 1 10 ASP HA 1 12 ARG H . . 4.370 3.623 3.191 4.093 . 0 0 "[ . 1 . 2]" 1
15 1 10 ASP HA 1 13 ARG H . . 4.570 3.672 3.188 4.267 . 0 0 "[ . 1 . 2]" 1
16 1 10 ASP HA 1 13 ARG HB2 . . 4.860 3.551 3.199 3.836 . 0 0 "[ . 1 . 2]" 1
17 1 10 ASP HA 1 13 ARG HD2 . . 4.820 3.491 2.828 4.642 . 0 0 "[ . 1 . 2]" 1
18 1 10 ASP HA 1 13 ARG QD . . 4.220 2.748 2.113 4.130 . 0 0 "[ . 1 . 2]" 1
19 1 10 ASP HA 1 13 ARG HD3 . . 4.820 3.196 2.157 4.809 . 0 0 "[ . 1 . 2]" 1
20 1 10 ASP HA 1 13 ARG QG . . 4.550 4.250 2.066 4.554 0.004 2 0 "[ . 1 . 2]" 1
21 1 10 ASP QB 1 12 ARG H . . 5.340 4.753 4.280 5.248 . 0 0 "[ . 1 . 2]" 1
22 1 10 ASP QB 1 13 ARG H . . 4.540 3.641 3.216 4.068 . 0 0 "[ . 1 . 2]" 1
23 1 10 ASP QB 1 13 ARG HB2 . . 4.870 2.226 1.927 2.683 . 0 0 "[ . 1 . 2]" 1
24 1 10 ASP QB 1 13 ARG HB3 . . 5.340 3.429 2.992 3.874 . 0 0 "[ . 1 . 2]" 1
25 1 10 ASP QB 1 13 ARG QD . . 4.070 2.396 1.927 3.748 . 0 0 "[ . 1 . 2]" 1
26 1 10 ASP QB 1 13 ARG QG . . 4.180 3.326 2.076 3.870 . 0 0 "[ . 1 . 2]" 1
27 1 10 ASP QB 1 14 LEU MD1 . . 4.910 3.413 3.027 3.733 . 0 0 "[ . 1 . 2]" 1
28 1 10 ASP QB 1 39 ALA HA . . 4.940 2.662 1.985 3.107 . 0 0 "[ . 1 . 2]" 1
29 1 10 ASP QB 1 39 ALA MB . . 3.500 2.015 1.837 2.450 . 0 0 "[ . 1 . 2]" 1
30 1 10 ASP HB2 1 11 ALA H . . 4.560 4.303 4.167 4.557 . 0 0 "[ . 1 . 2]" 1
31 1 10 ASP HB2 1 39 ALA MB . . 4.000 2.124 1.899 2.481 . 0 0 "[ . 1 . 2]" 1
32 1 10 ASP HB3 1 11 ALA H . . 4.560 4.431 4.060 4.585 0.025 10 0 "[ . 1 . 2]" 1
33 1 10 ASP HB3 1 39 ALA MB . . 4.000 2.861 2.046 3.784 . 0 0 "[ . 1 . 2]" 1
34 1 11 ALA H 1 11 ALA MB . . 2.990 2.236 2.046 2.371 . 0 0 "[ . 1 . 2]" 1
35 1 11 ALA H 1 12 ARG H . . 3.620 2.480 2.045 2.819 . 0 0 "[ . 1 . 2]" 1
36 1 11 ALA H 1 85 PHE QD . . 4.460 3.725 2.842 4.424 . 0 0 "[ . 1 . 2]" 1
37 1 11 ALA HA 1 13 ARG H . . 4.690 3.847 3.420 4.585 . 0 0 "[ . 1 . 2]" 1
38 1 11 ALA HA 1 14 LEU MD1 . . 3.770 2.297 1.971 2.784 . 0 0 "[ . 1 . 2]" 1
39 1 11 ALA HA 1 14 LEU MD2 . . 4.480 3.782 3.401 4.315 . 0 0 "[ . 1 . 2]" 1
40 1 11 ALA HA 1 85 PHE HB2 . . 4.240 3.514 3.303 3.754 . 0 0 "[ . 1 . 2]" 1
41 1 11 ALA HA 1 85 PHE HB3 . . 3.690 2.509 2.267 2.947 . 0 0 "[ . 1 . 2]" 1
42 1 11 ALA HA 1 85 PHE QD . . 3.630 2.688 1.997 3.328 . 0 0 "[ . 1 . 2]" 1
43 1 11 ALA HA 1 90 VAL HA . . 4.620 4.424 3.946 4.619 . 0 0 "[ . 1 . 2]" 1
44 1 11 ALA HA 1 90 VAL MG1 . . 4.220 3.003 2.527 3.452 . 0 0 "[ . 1 . 2]" 1
45 1 11 ALA MB 1 12 ARG H . . 3.690 2.606 2.267 2.835 . 0 0 "[ . 1 . 2]" 1
46 1 11 ALA MB 1 12 ARG HA . . 4.350 3.815 3.590 3.900 . 0 0 "[ . 1 . 2]" 1
47 1 11 ALA MB 1 85 PHE H . . 3.850 3.361 2.937 3.664 . 0 0 "[ . 1 . 2]" 1
48 1 11 ALA MB 1 85 PHE HB2 . . 4.060 3.301 3.038 3.636 . 0 0 "[ . 1 . 2]" 1
49 1 11 ALA MB 1 85 PHE HB3 . . 3.480 2.012 1.893 2.162 . 0 0 "[ . 1 . 2]" 1
50 1 11 ALA MB 1 85 PHE QD . . 3.930 2.662 2.113 3.305 . 0 0 "[ . 1 . 2]" 1
51 1 11 ALA MB 1 88 SER H . . 4.480 4.236 3.982 4.422 . 0 0 "[ . 1 . 2]" 1
52 1 11 ALA MB 1 88 SER HB2 . . 3.770 3.523 2.755 3.771 0.001 2 0 "[ . 1 . 2]" 1
53 1 11 ALA MB 1 88 SER QB . . 3.260 2.270 1.968 2.457 . 0 0 "[ . 1 . 2]" 1
54 1 11 ALA MB 1 88 SER HB3 . . 3.770 2.309 1.986 2.745 . 0 0 "[ . 1 . 2]" 1
55 1 11 ALA MB 1 89 HIS HA . . 5.190 4.598 4.263 4.998 . 0 0 "[ . 1 . 2]" 1
56 1 11 ALA MB 1 90 VAL H . . 4.740 3.738 3.391 4.263 . 0 0 "[ . 1 . 2]" 1
57 1 11 ALA MB 1 90 VAL HA . . 3.600 2.741 2.273 3.403 . 0 0 "[ . 1 . 2]" 1
58 1 11 ALA MB 1 90 VAL MG1 . . 3.550 2.422 2.042 3.082 . 0 0 "[ . 1 . 2]" 1
59 1 12 ARG H 1 12 ARG HB2 . . 3.710 2.688 2.215 3.633 . 0 0 "[ . 1 . 2]" 1
60 1 12 ARG H 1 12 ARG QB . . 3.080 2.370 2.193 2.559 . 0 0 "[ . 1 . 2]" 1
61 1 12 ARG H 1 12 ARG HB3 . . 3.710 3.302 2.306 3.680 . 0 0 "[ . 1 . 2]" 1
62 1 12 ARG H 1 12 ARG QD . . 4.670 3.954 1.842 4.433 . 0 0 "[ . 1 . 2]" 1
63 1 12 ARG H 1 12 ARG HG2 . . 4.170 3.288 2.242 4.016 . 0 0 "[ . 1 . 2]" 1
64 1 12 ARG H 1 12 ARG QG . . 3.290 2.476 2.222 2.779 . 0 0 "[ . 1 . 2]" 1
65 1 12 ARG H 1 12 ARG HG3 . . 4.170 2.841 2.308 3.732 . 0 0 "[ . 1 . 2]" 1
66 1 12 ARG H 1 13 ARG H . . 3.450 2.613 2.423 2.893 . 0 0 "[ . 1 . 2]" 1
67 1 12 ARG H 1 85 PHE HB3 . . 5.500 5.482 5.433 5.503 0.003 16 0 "[ . 1 . 2]" 1
68 1 12 ARG HA 1 12 ARG QD . . 4.320 3.973 2.409 4.331 0.011 3 0 "[ . 1 . 2]" 1
69 1 12 ARG HA 1 12 ARG HG2 . . 4.140 2.881 2.286 3.945 . 0 0 "[ . 1 . 2]" 1
70 1 12 ARG HA 1 12 ARG QG . . 3.440 2.604 2.235 3.335 . 0 0 "[ . 1 . 2]" 1
71 1 12 ARG HA 1 12 ARG HG3 . . 4.140 3.173 2.522 3.814 . 0 0 "[ . 1 . 2]" 1
72 1 12 ARG HA 1 91 VAL H . . 3.400 2.526 1.940 3.272 . 0 0 "[ . 1 . 2]" 1
73 1 12 ARG HA 1 91 VAL HA . . 5.110 4.513 4.128 5.052 . 0 0 "[ . 1 . 2]" 1
74 1 12 ARG HA 1 91 VAL MG1 . . 3.340 2.191 1.818 2.786 . 0 0 "[ . 1 . 2]" 1
75 1 12 ARG QB 1 12 ARG QD . . 3.380 2.204 2.017 2.468 . 0 0 "[ . 1 . 2]" 1
76 1 12 ARG QB 1 13 ARG H . . 4.010 3.232 2.506 3.915 . 0 0 "[ . 1 . 2]" 1
77 1 12 ARG QB 1 91 VAL MG1 . . 3.870 2.581 1.939 3.626 . 0 0 "[ . 1 . 2]" 1
78 1 12 ARG HB2 1 91 VAL MG1 . . 4.740 3.536 1.979 4.691 . 0 0 "[ . 1 . 2]" 1
79 1 12 ARG HB3 1 91 VAL MG1 . . 4.740 2.906 2.172 3.847 . 0 0 "[ . 1 . 2]" 1
80 1 12 ARG QD 1 91 VAL MG1 . . 4.780 3.646 2.054 4.652 . 0 0 "[ . 1 . 2]" 1
81 1 12 ARG QG 1 13 ARG H . . 4.450 4.010 2.745 4.510 0.060 11 0 "[ . 1 . 2]" 1
82 1 12 ARG QG 1 91 VAL MG1 . . 3.650 2.936 1.868 3.635 . 0 0 "[ . 1 . 2]" 1
83 1 13 ARG H 1 13 ARG HB2 . . 3.070 2.328 2.181 2.587 . 0 0 "[ . 1 . 2]" 1
84 1 13 ARG H 1 13 ARG HD2 . . 4.950 3.227 2.092 4.759 . 0 0 "[ . 1 . 2]" 1
85 1 13 ARG H 1 13 ARG QD . . 4.330 2.940 2.075 3.886 . 0 0 "[ . 1 . 2]" 1
86 1 13 ARG H 1 13 ARG HD3 . . 4.950 3.593 2.238 4.564 . 0 0 "[ . 1 . 2]" 1
87 1 13 ARG H 1 13 ARG QG . . 3.820 3.303 2.059 3.695 . 0 0 "[ . 1 . 2]" 1
88 1 13 ARG H 1 14 LEU H . . 3.420 3.060 2.498 3.385 . 0 0 "[ . 1 . 2]" 1
89 1 13 ARG H 1 14 LEU HB2 . . 5.020 4.377 4.000 4.982 . 0 0 "[ . 1 . 2]" 1
90 1 13 ARG H 1 14 LEU MD1 . . 4.320 3.137 2.230 4.171 . 0 0 "[ . 1 . 2]" 1
91 1 13 ARG H 1 39 ALA MB . . 5.500 4.251 3.818 4.990 . 0 0 "[ . 1 . 2]" 1
92 1 13 ARG H 1 91 VAL MG1 . . 5.500 4.579 4.082 5.116 . 0 0 "[ . 1 . 2]" 1
93 1 13 ARG HA 1 13 ARG HD2 . . 4.570 3.669 2.708 4.466 . 0 0 "[ . 1 . 2]" 1
94 1 13 ARG HA 1 13 ARG QD . . 3.940 3.363 2.409 3.981 0.041 2 0 "[ . 1 . 2]" 1
95 1 13 ARG HA 1 13 ARG HD3 . . 4.570 4.114 2.440 4.481 . 0 0 "[ . 1 . 2]" 1
96 1 13 ARG HA 1 13 ARG HG2 . . 3.940 3.201 2.703 3.635 . 0 0 "[ . 1 . 2]" 1
97 1 13 ARG HA 1 13 ARG QG . . 3.290 2.290 2.162 2.657 . 0 0 "[ . 1 . 2]" 1
98 1 13 ARG HA 1 13 ARG HG3 . . 3.940 2.419 2.183 3.777 . 0 0 "[ . 1 . 2]" 1
99 1 13 ARG HB2 1 13 ARG HD2 . . 3.690 2.854 2.462 3.549 . 0 0 "[ . 1 . 2]" 1
100 1 13 ARG HB2 1 13 ARG QD . . 3.220 2.265 2.084 3.221 0.001 12 0 "[ . 1 . 2]" 1
101 1 13 ARG HB2 1 13 ARG HD3 . . 3.690 2.423 2.126 3.690 0.000 12 0 "[ . 1 . 2]" 1
102 1 13 ARG HB2 1 14 LEU H . . 4.800 3.846 2.432 4.457 . 0 0 "[ . 1 . 2]" 1
103 1 13 ARG HB2 1 14 LEU MD1 . . 4.430 3.198 2.929 3.382 . 0 0 "[ . 1 . 2]" 1
104 1 13 ARG HB2 1 37 ASN HB2 . . 5.200 4.051 3.542 4.298 . 0 0 "[ . 1 . 2]" 1
105 1 13 ARG HB2 1 37 ASN HB3 . . 5.500 5.303 4.846 5.498 . 0 0 "[ . 1 . 2]" 1
106 1 13 ARG HB2 1 39 ALA MB . . 3.720 3.081 2.476 3.441 . 0 0 "[ . 1 . 2]" 1
107 1 13 ARG HB3 1 13 ARG HD2 . . 4.000 3.667 2.453 3.928 . 0 0 "[ . 1 . 2]" 1
108 1 13 ARG HB3 1 13 ARG QD . . 3.450 2.951 2.238 3.298 . 0 0 "[ . 1 . 2]" 1
109 1 13 ARG HB3 1 13 ARG HD3 . . 4.000 3.160 2.583 3.700 . 0 0 "[ . 1 . 2]" 1
110 1 13 ARG HB3 1 14 LEU H . . 5.050 4.017 2.792 4.404 . 0 0 "[ . 1 . 2]" 1
111 1 13 ARG HB3 1 14 LEU MD1 . . 4.800 3.708 3.356 4.081 . 0 0 "[ . 1 . 2]" 1
112 1 13 ARG HB3 1 37 ASN H . . 3.970 3.770 3.553 3.961 . 0 0 "[ . 1 . 2]" 1
113 1 13 ARG HB3 1 37 ASN HB2 . . 4.540 2.394 2.200 2.563 . 0 0 "[ . 1 . 2]" 1
114 1 13 ARG HB3 1 37 ASN HB3 . . 4.750 3.625 3.126 3.829 . 0 0 "[ . 1 . 2]" 1
115 1 13 ARG HB3 1 37 ASN HD21 . . 4.960 3.823 3.194 4.155 . 0 0 "[ . 1 . 2]" 1
116 1 13 ARG HB3 1 37 ASN HD22 . . 5.500 5.189 4.388 5.500 0.000 14 0 "[ . 1 . 2]" 1
117 1 13 ARG HB3 1 39 ALA MB . . 4.110 3.528 2.900 3.987 . 0 0 "[ . 1 . 2]" 1
118 1 13 ARG QD 1 39 ALA MB . . 4.910 4.093 3.060 4.867 . 0 0 "[ . 1 . 2]" 1
119 1 13 ARG QG 1 37 ASN HB2 . . 5.340 3.599 3.146 4.334 . 0 0 "[ . 1 . 2]" 1
120 1 13 ARG QG 1 37 ASN HB3 . . 5.340 4.041 3.493 5.019 . 0 0 "[ . 1 . 2]" 1
121 1 14 LEU H 1 14 LEU HB2 . . 3.910 2.490 2.207 2.661 . 0 0 "[ . 1 . 2]" 1
122 1 14 LEU H 1 14 LEU MD1 . . 4.080 2.726 1.924 3.256 . 0 0 "[ . 1 . 2]" 1
123 1 14 LEU H 1 14 LEU HG . . 4.520 4.074 3.318 4.404 . 0 0 "[ . 1 . 2]" 1
124 1 14 LEU HA 1 14 LEU MD1 . . 3.840 2.957 2.757 3.059 . 0 0 "[ . 1 . 2]" 1
125 1 14 LEU HA 1 14 LEU MD2 . . 4.210 3.641 3.573 3.752 . 0 0 "[ . 1 . 2]" 1
126 1 14 LEU HA 1 14 LEU HG . . 3.450 2.313 2.253 2.424 . 0 0 "[ . 1 . 2]" 1
127 1 14 LEU HA 1 15 THR H . . 2.990 2.192 2.138 2.376 . 0 0 "[ . 1 . 2]" 1
128 1 14 LEU HA 1 34 ILE MG . . 4.630 4.278 4.096 4.506 . 0 0 "[ . 1 . 2]" 1
129 1 14 LEU HA 1 35 ARG HG2 . . 4.660 4.315 3.983 4.498 . 0 0 "[ . 1 . 2]" 1
130 1 14 LEU HA 1 37 ASN HD21 . . 4.210 2.872 2.353 3.116 . 0 0 "[ . 1 . 2]" 1
131 1 14 LEU HA 1 37 ASN HD22 . . 4.600 4.149 3.410 4.507 . 0 0 "[ . 1 . 2]" 1
132 1 14 LEU HB2 1 14 LEU MD1 . . 3.630 2.147 2.019 2.284 . 0 0 "[ . 1 . 2]" 1
133 1 14 LEU HB2 1 15 THR H . . 4.500 4.257 3.872 4.438 . 0 0 "[ . 1 . 2]" 1
134 1 14 LEU HB2 1 90 VAL HB . . 4.650 3.262 2.612 3.832 . 0 0 "[ . 1 . 2]" 1
135 1 14 LEU HB2 1 90 VAL MG1 . . 3.580 2.476 2.034 3.153 . 0 0 "[ . 1 . 2]" 1
136 1 14 LEU HB3 1 14 LEU MD2 . . 3.610 2.080 1.982 2.273 . 0 0 "[ . 1 . 2]" 1
137 1 14 LEU HB3 1 15 THR H . . 3.980 3.146 2.516 3.507 . 0 0 "[ . 1 . 2]" 1
138 1 14 LEU HB3 1 34 ILE MG . . 3.730 3.108 2.792 3.451 . 0 0 "[ . 1 . 2]" 1
139 1 14 LEU HB3 1 36 LEU HA . . 4.970 4.688 4.360 4.955 . 0 0 "[ . 1 . 2]" 1
140 1 14 LEU HB3 1 90 VAL MG1 . . 3.940 3.267 2.783 3.895 . 0 0 "[ . 1 . 2]" 1
141 1 14 LEU MD1 1 15 THR H . . 5.190 4.699 4.470 4.785 . 0 0 "[ . 1 . 2]" 1
142 1 14 LEU MD1 1 34 ILE MG . . 4.670 4.414 4.197 4.671 0.001 11 0 "[ . 1 . 2]" 1
143 1 14 LEU MD1 1 36 LEU HA . . 4.040 3.897 3.405 4.041 0.001 6 0 "[ . 1 . 2]" 1
144 1 14 LEU MD1 1 36 LEU MD2 . . 3.920 3.016 2.701 3.278 . 0 0 "[ . 1 . 2]" 1
145 1 14 LEU MD1 1 39 ALA H . . 4.710 4.016 3.726 4.320 . 0 0 "[ . 1 . 2]" 1
146 1 14 LEU MD1 1 39 ALA MB . . 3.240 1.901 1.724 2.140 . 0 0 "[ . 1 . 2]" 1
147 1 14 LEU MD1 1 85 PHE HB2 . . 5.000 3.573 3.271 4.045 . 0 0 "[ . 1 . 2]" 1
148 1 14 LEU MD1 1 85 PHE HB3 . . 5.450 3.636 3.333 4.043 . 0 0 "[ . 1 . 2]" 1
149 1 14 LEU MD1 1 85 PHE QD . . 4.530 3.127 2.887 3.398 . 0 0 "[ . 1 . 2]" 1
150 1 14 LEU MD1 1 85 PHE QE . . 5.010 3.180 2.698 3.525 . 0 0 "[ . 1 . 2]" 1
151 1 14 LEU MD1 1 90 VAL MG1 . . 4.270 2.871 2.122 3.361 . 0 0 "[ . 1 . 2]" 1
152 1 14 LEU MD2 1 15 THR H . . 5.120 4.376 4.098 4.773 . 0 0 "[ . 1 . 2]" 1
153 1 14 LEU MD2 1 34 ILE MG . . 3.250 2.378 2.084 2.730 . 0 0 "[ . 1 . 2]" 1
154 1 14 LEU MD2 1 36 LEU HA . . 4.070 4.011 3.876 4.070 0.000 4 0 "[ . 1 . 2]" 1
155 1 14 LEU MD2 1 36 LEU MD1 . . 4.640 4.050 3.761 4.222 . 0 0 "[ . 1 . 2]" 1
156 1 14 LEU MD2 1 36 LEU MD2 . . 3.790 2.055 1.909 2.273 . 0 0 "[ . 1 . 2]" 1
157 1 14 LEU MD2 1 39 ALA MB . . 4.280 3.403 3.080 3.734 . 0 0 "[ . 1 . 2]" 1
158 1 14 LEU MD2 1 83 VAL MG1 . . 4.880 3.360 2.865 3.780 . 0 0 "[ . 1 . 2]" 1
159 1 14 LEU MD2 1 85 PHE HA . . 4.830 4.623 4.340 4.762 . 0 0 "[ . 1 . 2]" 1
160 1 14 LEU MD2 1 85 PHE HB2 . . 3.770 2.930 2.576 3.120 . 0 0 "[ . 1 . 2]" 1
161 1 14 LEU MD2 1 85 PHE HB3 . . 4.040 3.906 3.676 4.041 0.001 12 0 "[ . 1 . 2]" 1
162 1 14 LEU MD2 1 85 PHE QD . . 3.930 2.382 1.836 2.814 . 0 0 "[ . 1 . 2]" 1
163 1 14 LEU MD2 1 85 PHE QE . . 4.470 2.970 2.354 3.343 . 0 0 "[ . 1 . 2]" 1
164 1 14 LEU MD2 1 90 VAL MG1 . . 3.280 2.589 2.127 3.092 . 0 0 "[ . 1 . 2]" 1
165 1 14 LEU HG 1 15 THR H . . 4.850 3.830 3.589 4.028 . 0 0 "[ . 1 . 2]" 1
166 1 14 LEU HG 1 34 ILE MG . . 4.000 3.590 3.230 3.838 . 0 0 "[ . 1 . 2]" 1
167 1 14 LEU HG 1 36 LEU HA . . 3.380 2.800 2.538 2.922 . 0 0 "[ . 1 . 2]" 1
168 1 14 LEU HG 1 36 LEU MD2 . . 4.000 2.186 1.976 2.464 . 0 0 "[ . 1 . 2]" 1
169 1 15 THR H 1 15 THR HB . . 3.570 2.814 2.690 3.042 . 0 0 "[ . 1 . 2]" 1
170 1 15 THR H 1 15 THR MG . . 4.490 3.905 3.823 3.986 . 0 0 "[ . 1 . 2]" 1
171 1 15 THR H 1 34 ILE MG . . 4.350 3.728 3.265 4.023 . 0 0 "[ . 1 . 2]" 1
172 1 15 THR H 1 35 ARG H . . 3.960 3.722 3.279 3.957 . 0 0 "[ . 1 . 2]" 1
173 1 15 THR H 1 35 ARG HB2 . . 4.970 4.869 4.646 4.971 0.001 12 0 "[ . 1 . 2]" 1
174 1 15 THR H 1 35 ARG QB . . 4.300 3.284 2.989 3.400 . 0 0 "[ . 1 . 2]" 1
175 1 15 THR H 1 35 ARG HB3 . . 4.970 3.339 3.026 3.462 . 0 0 "[ . 1 . 2]" 1
176 1 15 THR H 1 37 ASN HD21 . . 4.270 3.396 3.033 3.853 . 0 0 "[ . 1 . 2]" 1
177 1 15 THR H 1 37 ASN HD22 . . 4.110 3.808 3.409 4.061 . 0 0 "[ . 1 . 2]" 1
178 1 15 THR HA 1 15 THR MG . . 3.430 2.206 2.066 2.366 . 0 0 "[ . 1 . 2]" 1
179 1 15 THR HA 1 16 VAL H . . 2.890 2.199 2.146 2.268 . 0 0 "[ . 1 . 2]" 1
180 1 15 THR HB 1 16 VAL H . . 4.020 3.877 3.636 4.008 . 0 0 "[ . 1 . 2]" 1
181 1 15 THR HB 1 17 MET QG . . 4.530 3.659 3.115 3.994 . 0 0 "[ . 1 . 2]" 1
182 1 15 THR HB 1 35 ARG H . . 4.390 3.799 3.529 4.103 . 0 0 "[ . 1 . 2]" 1
183 1 15 THR HB 1 35 ARG HB2 . . 3.870 3.697 3.505 3.862 . 0 0 "[ . 1 . 2]" 1
184 1 15 THR HB 1 35 ARG HB3 . . 3.870 2.184 2.003 2.389 . 0 0 "[ . 1 . 2]" 1
185 1 15 THR HB 1 35 ARG HG2 . . 5.120 2.460 2.144 2.931 . 0 0 "[ . 1 . 2]" 1
186 1 15 THR HB 1 35 ARG HG3 . . 5.500 4.051 3.791 4.358 . 0 0 "[ . 1 . 2]" 1
187 1 15 THR HB 1 37 ASN HD22 . . 4.140 3.679 3.382 4.100 . 0 0 "[ . 1 . 2]" 1
188 1 15 THR MG 1 16 VAL H . . 3.680 2.386 2.105 2.872 . 0 0 "[ . 1 . 2]" 1
189 1 15 THR MG 1 17 MET QG . . 3.770 3.045 2.616 3.464 . 0 0 "[ . 1 . 2]" 1
190 1 15 THR MG 1 35 ARG H . . 4.950 4.535 4.119 4.850 . 0 0 "[ . 1 . 2]" 1
191 1 15 THR MG 1 35 ARG QB . . 4.770 3.412 3.095 3.697 . 0 0 "[ . 1 . 2]" 1
192 1 15 THR MG 1 35 ARG QD . . 4.330 3.719 3.261 4.300 . 0 0 "[ . 1 . 2]" 1
193 1 15 THR MG 1 35 ARG HG2 . . 4.690 4.000 3.785 4.272 . 0 0 "[ . 1 . 2]" 1
194 1 15 THR MG 1 37 ASN HD21 . . 5.440 5.159 4.587 5.420 . 0 0 "[ . 1 . 2]" 1
195 1 15 THR MG 1 37 ASN HD22 . . 4.540 4.235 3.774 4.466 . 0 0 "[ . 1 . 2]" 1
196 1 16 VAL H 1 16 VAL HB . . 3.190 2.520 2.377 2.620 . 0 0 "[ . 1 . 2]" 1
197 1 16 VAL H 1 16 VAL MG1 . . 4.150 3.795 3.729 3.833 . 0 0 "[ . 1 . 2]" 1
198 1 16 VAL H 1 16 VAL MG2 . . 3.520 2.519 2.299 2.668 . 0 0 "[ . 1 . 2]" 1
199 1 16 VAL HA 1 16 VAL MG1 . . 3.410 2.417 2.329 2.484 . 0 0 "[ . 1 . 2]" 1
200 1 16 VAL HA 1 16 VAL MG2 . . 3.450 2.398 2.248 2.509 . 0 0 "[ . 1 . 2]" 1
201 1 16 VAL HA 1 17 MET H . . 3.350 2.173 2.142 2.230 . 0 0 "[ . 1 . 2]" 1
202 1 16 VAL HA 1 17 MET QG . . 4.720 3.924 3.507 4.445 . 0 0 "[ . 1 . 2]" 1
203 1 16 VAL HA 1 34 ILE HA . . 4.120 2.613 2.326 2.875 . 0 0 "[ . 1 . 2]" 1
204 1 16 VAL HA 1 34 ILE MD . . 5.460 5.115 4.890 5.399 . 0 0 "[ . 1 . 2]" 1
205 1 16 VAL HA 1 34 ILE HG12 . . 4.580 3.726 3.513 4.027 . 0 0 "[ . 1 . 2]" 1
206 1 16 VAL HA 1 34 ILE HG13 . . 4.910 4.711 4.423 4.904 . 0 0 "[ . 1 . 2]" 1
207 1 16 VAL HA 1 34 ILE MG . . 4.350 3.426 3.145 3.775 . 0 0 "[ . 1 . 2]" 1
208 1 16 VAL HA 1 35 ARG H . . 4.260 3.160 2.860 3.587 . 0 0 "[ . 1 . 2]" 1
209 1 16 VAL HB 1 95 PHE QE . . 4.800 4.287 3.484 4.674 . 0 0 "[ . 1 . 2]" 1
210 1 16 VAL HB 1 95 PHE HZ . . 4.720 4.373 3.698 4.690 . 0 0 "[ . 1 . 2]" 1
211 1 16 VAL MG1 1 17 MET H . . 3.900 2.487 1.961 3.141 . 0 0 "[ . 1 . 2]" 1
212 1 16 VAL MG1 1 19 LEU QB . . 4.030 1.947 1.821 2.278 . 0 0 "[ . 1 . 2]" 1
213 1 16 VAL MG1 1 19 LEU MD1 . . 4.430 2.090 1.830 2.577 . 0 0 "[ . 1 . 2]" 1
214 1 16 VAL MG1 1 32 PHE HB2 . . 4.780 3.204 2.849 3.603 . 0 0 "[ . 1 . 2]" 1
215 1 16 VAL MG1 1 32 PHE QB . . 4.120 3.111 2.778 3.483 . 0 0 "[ . 1 . 2]" 1
216 1 16 VAL MG1 1 32 PHE HB3 . . 4.780 4.215 3.849 4.620 . 0 0 "[ . 1 . 2]" 1
217 1 16 VAL MG1 1 32 PHE QD . . 3.610 3.163 2.695 3.553 . 0 0 "[ . 1 . 2]" 1
218 1 16 VAL MG1 1 33 ALA H . . 4.830 4.254 3.897 4.651 . 0 0 "[ . 1 . 2]" 1
219 1 16 VAL MG1 1 95 PHE QE . . 4.810 4.483 4.023 4.792 . 0 0 "[ . 1 . 2]" 1
220 1 16 VAL MG2 1 32 PHE QD . . 4.680 4.384 3.919 4.681 0.001 17 0 "[ . 1 . 2]" 1
221 1 16 VAL MG2 1 32 PHE QE . . 4.760 4.201 3.504 4.617 . 0 0 "[ . 1 . 2]" 1
222 1 16 VAL MG2 1 95 PHE QE . . 3.650 3.047 2.705 3.587 . 0 0 "[ . 1 . 2]" 1
223 1 16 VAL MG2 1 95 PHE HZ . . 3.720 2.977 2.236 3.608 . 0 0 "[ . 1 . 2]" 1
224 1 17 MET H 1 17 MET QB . . 3.680 2.515 2.280 2.707 . 0 0 "[ . 1 . 2]" 1
225 1 17 MET H 1 17 MET QG . . 3.920 2.987 2.704 3.312 . 0 0 "[ . 1 . 2]" 1
226 1 17 MET H 1 32 PHE QD . . 5.020 4.412 3.760 5.020 . 18 0 "[ . 1 . 2]" 1
227 1 17 MET H 1 33 ALA H . . 4.240 3.918 3.706 4.124 . 0 0 "[ . 1 . 2]" 1
228 1 17 MET H 1 33 ALA MB . . 5.060 3.817 3.457 4.270 . 0 0 "[ . 1 . 2]" 1
229 1 17 MET H 1 34 ILE HA . . 4.550 3.076 2.814 3.703 . 0 0 "[ . 1 . 2]" 1
230 1 17 MET H 1 35 ARG H . . 4.640 3.580 2.816 4.366 . 0 0 "[ . 1 . 2]" 1
231 1 17 MET HA 1 17 MET QG . . 3.640 2.528 2.248 2.810 . 0 0 "[ . 1 . 2]" 1
232 1 17 MET HA 1 18 SER H . . 3.120 2.503 2.296 2.648 . 0 0 "[ . 1 . 2]" 1
233 1 17 MET HA 1 18 SER HA . . 4.660 4.524 4.432 4.602 . 0 0 "[ . 1 . 2]" 1
234 1 17 MET HA 1 19 LEU H . . 3.890 3.515 3.078 3.832 . 0 0 "[ . 1 . 2]" 1
235 1 17 MET QB 1 18 SER H . . 3.800 2.210 1.948 2.659 . 0 0 "[ . 1 . 2]" 1
236 1 17 MET QB 1 18 SER QB . . 4.750 3.392 3.096 3.609 . 0 0 "[ . 1 . 2]" 1
237 1 17 MET QB 1 33 ALA H . . 4.020 3.779 3.521 3.961 . 0 0 "[ . 1 . 2]" 1
238 1 17 MET QB 1 33 ALA MB . . 3.380 2.613 2.128 3.093 . 0 0 "[ . 1 . 2]" 1
239 1 17 MET HB2 1 18 SER H . . 4.330 3.500 3.112 3.892 . 0 0 "[ . 1 . 2]" 1
240 1 17 MET HB3 1 18 SER H . . 4.330 2.236 1.964 2.707 . 0 0 "[ . 1 . 2]" 1
241 1 17 MET QG 1 18 SER H . . 4.890 3.942 3.686 4.145 . 0 0 "[ . 1 . 2]" 1
242 1 17 MET QG 1 33 ALA MB . . 4.250 4.066 3.538 4.220 . 0 0 "[ . 1 . 2]" 1
243 1 17 MET QG 1 35 ARG H . . 4.810 3.496 2.655 4.263 . 0 0 "[ . 1 . 2]" 1
244 1 18 SER H 1 19 LEU H . . 3.900 2.947 2.705 3.134 . 0 0 "[ . 1 . 2]" 1
245 1 18 SER HA 1 19 LEU H . . 3.280 2.760 2.619 2.981 . 0 0 "[ . 1 . 2]" 1
246 1 18 SER QB 1 19 LEU H . . 4.040 3.894 3.737 4.046 0.006 6 0 "[ . 1 . 2]" 1
247 1 18 SER QB 1 32 PHE HA . . 3.950 2.732 2.162 3.511 . 0 0 "[ . 1 . 2]" 1
248 1 18 SER QB 1 33 ALA H . . 4.030 2.317 1.885 3.577 . 0 0 "[ . 1 . 2]" 1
249 1 18 SER QB 1 33 ALA MB . . 4.390 2.868 2.324 3.756 . 0 0 "[ . 1 . 2]" 1
250 1 18 SER HB2 1 19 LEU H . . 4.840 4.396 4.071 4.627 . 0 0 "[ . 1 . 2]" 1
251 1 18 SER HB2 1 32 PHE HA . . 4.720 3.416 2.657 4.498 . 0 0 "[ . 1 . 2]" 1
252 1 18 SER HB3 1 19 LEU H . . 4.840 4.367 4.152 4.612 . 0 0 "[ . 1 . 2]" 1
253 1 18 SER HB3 1 32 PHE HA . . 4.720 3.126 2.176 4.540 . 0 0 "[ . 1 . 2]" 1
254 1 19 LEU H 1 19 LEU HB2 . . 3.470 2.805 2.523 3.096 . 0 0 "[ . 1 . 2]" 1
255 1 19 LEU H 1 19 LEU QB . . 2.990 2.362 2.240 2.424 . 0 0 "[ . 1 . 2]" 1
256 1 19 LEU H 1 19 LEU HB3 . . 3.470 2.567 2.305 2.768 . 0 0 "[ . 1 . 2]" 1
257 1 19 LEU H 1 19 LEU MD1 . . 4.780 4.258 3.962 4.487 . 0 0 "[ . 1 . 2]" 1
258 1 19 LEU H 1 19 LEU MD2 . . 4.700 4.293 4.050 4.445 . 0 0 "[ . 1 . 2]" 1
259 1 19 LEU H 1 19 LEU HG . . 4.590 4.472 4.229 4.592 0.002 15 0 "[ . 1 . 2]" 1
260 1 19 LEU H 1 20 GLN H . . 4.550 4.394 4.189 4.535 . 0 0 "[ . 1 . 2]" 1
261 1 19 LEU H 1 20 GLN HA . . 5.440 5.036 4.910 5.211 . 0 0 "[ . 1 . 2]" 1
262 1 19 LEU HA 1 19 LEU MD1 . . 3.740 2.391 2.047 2.677 . 0 0 "[ . 1 . 2]" 1
263 1 19 LEU HA 1 19 LEU MD2 . . 4.250 3.910 3.846 4.010 . 0 0 "[ . 1 . 2]" 1
264 1 19 LEU HA 1 19 LEU HG . . 4.200 2.844 2.628 3.140 . 0 0 "[ . 1 . 2]" 1
265 1 19 LEU HA 1 20 GLN H . . 3.040 2.161 2.139 2.256 . 0 0 "[ . 1 . 2]" 1
266 1 19 LEU HA 1 20 GLN QB . . 4.570 4.088 3.976 4.396 . 0 0 "[ . 1 . 2]" 1
267 1 19 LEU HA 1 32 PHE HA . . 5.030 4.552 4.208 5.019 . 0 0 "[ . 1 . 2]" 1
268 1 19 LEU HA 1 32 PHE HB2 . . 3.990 3.405 2.909 3.913 . 0 0 "[ . 1 . 2]" 1
269 1 19 LEU HA 1 32 PHE QB . . 3.390 2.736 2.343 3.089 . 0 0 "[ . 1 . 2]" 1
270 1 19 LEU HA 1 32 PHE HB3 . . 3.990 2.892 2.471 3.318 . 0 0 "[ . 1 . 2]" 1
271 1 19 LEU HA 1 32 PHE QD . . 4.690 4.201 3.866 4.627 . 0 0 "[ . 1 . 2]" 1
272 1 19 LEU QB 1 20 GLN H . . 4.080 3.756 3.514 3.945 . 0 0 "[ . 1 . 2]" 1
273 1 19 LEU QB 1 32 PHE QB . . 4.180 3.284 2.896 3.730 . 0 0 "[ . 1 . 2]" 1
274 1 19 LEU HB2 1 20 GLN H . . 4.710 4.286 3.953 4.466 . 0 0 "[ . 1 . 2]" 1
275 1 19 LEU HB3 1 20 GLN H . . 4.710 4.162 3.833 4.517 . 0 0 "[ . 1 . 2]" 1
276 1 19 LEU MD1 1 20 GLN H . . 4.360 3.262 2.633 3.678 . 0 0 "[ . 1 . 2]" 1
277 1 19 LEU MD1 1 32 PHE HB2 . . 5.040 3.140 2.466 3.563 . 0 0 "[ . 1 . 2]" 1
278 1 19 LEU MD1 1 32 PHE QB . . 4.330 2.693 2.227 3.039 . 0 0 "[ . 1 . 2]" 1
279 1 19 LEU MD1 1 32 PHE HB3 . . 5.040 2.943 2.535 3.323 . 0 0 "[ . 1 . 2]" 1
280 1 19 LEU MD1 1 32 PHE QD . . 4.150 2.958 2.512 3.200 . 0 0 "[ . 1 . 2]" 1
281 1 19 LEU MD1 1 32 PHE QE . . 4.930 3.689 3.308 4.057 . 0 0 "[ . 1 . 2]" 1
282 1 19 LEU MD1 1 97 VAL MG1 . . 4.020 3.426 2.484 4.021 0.001 10 0 "[ . 1 . 2]" 1
283 1 19 LEU MD2 1 21 GLU QG . . 4.480 3.911 3.284 4.479 . 0 0 "[ . 1 . 2]" 1
284 1 19 LEU MD2 1 32 PHE QD . . 5.500 5.177 4.712 5.494 . 0 0 "[ . 1 . 2]" 1
285 1 19 LEU MD2 1 95 PHE HB2 . . 4.760 3.984 3.419 4.696 . 0 0 "[ . 1 . 2]" 1
286 1 19 LEU MD2 1 95 PHE QB . . 4.020 3.122 2.610 3.682 . 0 0 "[ . 1 . 2]" 1
287 1 19 LEU MD2 1 95 PHE HB3 . . 4.760 3.268 2.708 3.847 . 0 0 "[ . 1 . 2]" 1
288 1 19 LEU MD2 1 95 PHE QD . . 4.140 3.304 2.558 4.074 . 0 0 "[ . 1 . 2]" 1
289 1 19 LEU MD2 1 95 PHE QE . . 4.610 3.921 3.397 4.547 . 0 0 "[ . 1 . 2]" 1
290 1 19 LEU MD2 1 97 VAL MG1 . . 3.810 3.197 2.767 3.449 . 0 0 "[ . 1 . 2]" 1
291 1 19 LEU HG 1 20 GLN H . . 4.720 2.927 2.300 3.664 . 0 0 "[ . 1 . 2]" 1
292 1 19 LEU HG 1 21 GLU QG . . 5.160 4.522 3.798 5.119 . 0 0 "[ . 1 . 2]" 1
293 1 19 LEU HG 1 32 PHE QD . . 5.500 5.263 4.861 5.478 . 0 0 "[ . 1 . 2]" 1
294 1 20 GLN H 1 20 GLN HB2 . . 3.830 2.645 2.241 3.765 . 0 0 "[ . 1 . 2]" 1
295 1 20 GLN H 1 20 GLN QB . . 3.300 2.364 2.164 2.930 . 0 0 "[ . 1 . 2]" 1
296 1 20 GLN H 1 20 GLN HB3 . . 3.830 2.800 2.358 3.059 . 0 0 "[ . 1 . 2]" 1
297 1 20 GLN H 1 20 GLN HG2 . . 4.770 4.326 1.976 4.769 . 0 0 "[ . 1 . 2]" 1
298 1 20 GLN H 1 20 GLN HG3 . . 4.770 4.376 3.348 4.737 . 0 0 "[ . 1 . 2]" 1
299 1 20 GLN H 1 24 LEU HG . . 5.390 4.953 4.589 5.402 0.012 17 0 "[ . 1 . 2]" 1
300 1 20 GLN HA 1 20 GLN HG2 . . 4.250 3.550 2.619 3.732 . 0 0 "[ . 1 . 2]" 1
301 1 20 GLN HA 1 20 GLN QG . . 3.610 2.629 2.170 3.422 . 0 0 "[ . 1 . 2]" 1
302 1 20 GLN HA 1 20 GLN HG3 . . 4.250 2.831 2.215 4.212 . 0 0 "[ . 1 . 2]" 1
303 1 20 GLN HA 1 21 GLU H . . 3.100 2.295 2.147 2.549 . 0 0 "[ . 1 . 2]" 1
304 1 20 GLN HA 1 22 SER H . . 5.500 4.488 3.566 4.887 . 0 0 "[ . 1 . 2]" 1
305 1 20 GLN HB2 1 24 LEU MD2 . . 4.220 3.050 2.538 4.195 . 0 0 "[ . 1 . 2]" 1
306 1 20 GLN HB3 1 24 LEU MD2 . . 4.220 2.485 1.972 4.222 0.002 2 0 "[ . 1 . 2]" 1
307 1 20 GLN QE 1 20 GLN QG . . 3.030 2.150 2.066 2.328 . 0 0 "[ . 1 . 2]" 1
308 1 20 GLN QE 1 23 GLY QA . . 3.980 3.208 1.895 3.914 . 0 0 "[ . 1 . 2]" 1
309 1 20 GLN QE 1 24 LEU HA . . 4.380 3.376 2.879 3.799 . 0 0 "[ . 1 . 2]" 1
310 1 20 GLN QE 1 24 LEU MD2 . . 4.250 3.371 1.871 4.207 . 0 0 "[ . 1 . 2]" 1
311 1 20 GLN QE 1 25 LYS H . . 5.340 5.049 4.537 5.335 . 0 0 "[ . 1 . 2]" 1
312 1 20 GLN QG 1 21 GLU H . . 4.820 2.531 1.886 3.671 . 0 0 "[ . 1 . 2]" 1
313 1 20 GLN QG 1 22 SER H . . 3.990 3.511 3.048 3.969 . 0 0 "[ . 1 . 2]" 1
314 1 20 GLN QG 1 24 LEU H . . 4.660 2.894 1.901 3.605 . 0 0 "[ . 1 . 2]" 1
315 1 20 GLN QG 1 24 LEU HG . . 4.350 2.836 2.120 3.362 . 0 0 "[ . 1 . 2]" 1
316 1 20 GLN HG2 1 24 LEU MD2 . . 4.510 2.669 2.130 4.369 . 0 0 "[ . 1 . 2]" 1
317 1 20 GLN HG2 1 24 LEU HG . . 4.950 3.099 2.564 3.795 . 0 0 "[ . 1 . 2]" 1
318 1 20 GLN HG3 1 24 LEU MD2 . . 4.510 3.531 1.994 4.322 . 0 0 "[ . 1 . 2]" 1
319 1 20 GLN HG3 1 24 LEU HG . . 4.950 3.548 2.136 4.775 . 0 0 "[ . 1 . 2]" 1
320 1 21 GLU H 1 21 GLU HB2 . . 4.080 2.737 2.239 3.770 . 0 0 "[ . 1 . 2]" 1
321 1 21 GLU H 1 21 GLU QB . . 3.390 2.530 2.165 3.191 . 0 0 "[ . 1 . 2]" 1
322 1 21 GLU H 1 21 GLU HB3 . . 4.080 3.469 2.227 3.752 . 0 0 "[ . 1 . 2]" 1
323 1 21 GLU H 1 21 GLU QG . . 3.840 2.986 1.881 3.843 0.003 18 0 "[ . 1 . 2]" 1
324 1 21 GLU H 1 22 SER H . . 3.540 2.361 1.843 2.935 . 0 0 "[ . 1 . 2]" 1
325 1 21 GLU HA 1 21 GLU QG . . 3.440 2.601 2.184 3.430 . 0 0 "[ . 1 . 2]" 1
326 1 21 GLU HA 1 97 VAL HA . . 3.980 3.301 2.526 3.974 . 0 0 "[ . 1 . 2]" 1
327 1 21 GLU HA 1 97 VAL HB . . 4.150 2.834 2.001 3.926 . 0 0 "[ . 1 . 2]" 1
328 1 21 GLU HA 1 97 VAL MG1 . . 3.440 2.221 1.958 2.620 . 0 0 "[ . 1 . 2]" 1
329 1 21 GLU HA 1 98 ARG H . . 4.800 3.839 2.789 4.796 . 0 0 "[ . 1 . 2]" 1
330 1 21 GLU QB 1 22 SER H . . 3.760 2.436 1.905 3.385 . 0 0 "[ . 1 . 2]" 1
331 1 21 GLU HB2 1 22 SER H . . 4.510 2.666 2.006 4.138 . 0 0 "[ . 1 . 2]" 1
332 1 21 GLU HB3 1 22 SER H . . 4.510 3.115 1.918 4.081 . 0 0 "[ . 1 . 2]" 1
333 1 22 SER H 1 22 SER QB . . 3.760 2.882 2.466 3.116 . 0 0 "[ . 1 . 2]" 1
334 1 22 SER H 1 23 GLY H . . 5.100 2.475 2.210 2.618 . 0 0 "[ . 1 . 2]" 1
335 1 22 SER HA 1 24 LEU H . . 4.960 3.705 3.268 4.413 . 0 0 "[ . 1 . 2]" 1
336 1 22 SER HA 1 98 ARG H . . 5.110 3.385 2.560 3.921 . 0 0 "[ . 1 . 2]" 1
337 1 22 SER HA 1 98 ARG HB2 . . 4.520 4.266 3.458 4.519 . 0 0 "[ . 1 . 2]" 1
338 1 22 SER HA 1 98 ARG QB . . 3.980 3.089 2.802 3.479 . 0 0 "[ . 1 . 2]" 1
339 1 22 SER HA 1 98 ARG HB3 . . 4.520 3.254 2.845 4.246 . 0 0 "[ . 1 . 2]" 1
340 1 22 SER QB 1 23 GLY H . . 4.310 3.981 3.677 4.053 . 0 0 "[ . 1 . 2]" 1
341 1 22 SER QB 1 98 ARG H . . 4.970 4.152 3.302 4.866 . 0 0 "[ . 1 . 2]" 1
342 1 22 SER QB 1 98 ARG HB2 . . 4.660 4.200 3.515 4.661 0.001 20 0 "[ . 1 . 2]" 1
343 1 22 SER QB 1 98 ARG QB . . 4.040 3.267 2.684 3.647 . 0 0 "[ . 1 . 2]" 1
344 1 22 SER QB 1 98 ARG HB3 . . 4.660 3.508 2.784 4.649 . 0 0 "[ . 1 . 2]" 1
345 1 23 GLY H 1 24 LEU H . . 4.230 2.378 1.803 3.409 . 0 0 "[ . 1 . 2]" 1
346 1 23 GLY H 1 24 LEU HG . . 5.140 3.749 3.299 3.997 . 0 0 "[ . 1 . 2]" 1
347 1 24 LEU H 1 24 LEU HB2 . . 3.720 2.246 2.165 2.426 . 0 0 "[ . 1 . 2]" 1
348 1 24 LEU H 1 24 LEU HB3 . . 3.830 3.522 3.477 3.637 . 0 0 "[ . 1 . 2]" 1
349 1 24 LEU H 1 24 LEU MD1 . . 4.010 3.962 3.803 4.010 0.000 9 0 "[ . 1 . 2]" 1
350 1 24 LEU H 1 24 LEU MD2 . . 4.540 3.673 2.707 4.287 . 0 0 "[ . 1 . 2]" 1
351 1 24 LEU H 1 24 LEU HG . . 3.620 2.956 2.560 3.554 . 0 0 "[ . 1 . 2]" 1
352 1 24 LEU H 1 25 LYS H . . 5.500 4.593 4.429 4.645 . 0 0 "[ . 1 . 2]" 1
353 1 24 LEU H 1 99 VAL HA . . 4.640 3.394 2.701 4.080 . 0 0 "[ . 1 . 2]" 1
354 1 24 LEU H 1 100 GLY H . . 4.590 3.353 2.690 4.164 . 0 0 "[ . 1 . 2]" 1
355 1 24 LEU HA 1 24 LEU MD1 . . 3.860 3.765 3.617 3.821 . 0 0 "[ . 1 . 2]" 1
356 1 24 LEU HA 1 24 LEU MD2 . . 3.190 2.006 1.895 2.319 . 0 0 "[ . 1 . 2]" 1
357 1 24 LEU HA 1 24 LEU HG . . 3.620 2.981 2.637 3.364 . 0 0 "[ . 1 . 2]" 1
358 1 24 LEU HA 1 25 LYS H . . 3.130 2.396 2.244 2.648 . 0 0 "[ . 1 . 2]" 1
359 1 24 LEU HB2 1 24 LEU MD1 . . 3.510 2.449 2.273 2.568 . 0 0 "[ . 1 . 2]" 1
360 1 24 LEU HB2 1 24 LEU HG . . 2.880 2.400 2.289 2.522 . 0 0 "[ . 1 . 2]" 1
361 1 24 LEU HB2 1 25 LYS H . . 4.370 3.843 3.433 4.143 . 0 0 "[ . 1 . 2]" 1
362 1 24 LEU HB2 1 99 VAL HA . . 3.510 2.088 1.998 2.362 . 0 0 "[ . 1 . 2]" 1
363 1 24 LEU HB2 1 99 VAL MG2 . . 3.990 2.707 1.980 3.274 . 0 0 "[ . 1 . 2]" 1
364 1 24 LEU HB2 1 100 GLY H . . 3.970 3.124 2.669 3.350 . 0 0 "[ . 1 . 2]" 1
365 1 24 LEU HB3 1 24 LEU MD1 . . 3.300 2.220 2.072 2.453 . 0 0 "[ . 1 . 2]" 1
366 1 24 LEU HB3 1 25 LYS H . . 3.720 2.496 1.972 2.921 . 0 0 "[ . 1 . 2]" 1
367 1 24 LEU HB3 1 26 VAL HA . . 5.500 5.170 4.929 5.400 . 0 0 "[ . 1 . 2]" 1
368 1 24 LEU HB3 1 73 PRO HB2 . . 3.600 2.929 2.681 3.160 . 0 0 "[ . 1 . 2]" 1
369 1 24 LEU HB3 1 73 PRO HG2 . . 4.930 3.238 2.937 3.513 . 0 0 "[ . 1 . 2]" 1
370 1 24 LEU HB3 1 99 VAL HA . . 3.930 3.233 2.685 3.735 . 0 0 "[ . 1 . 2]" 1
371 1 24 LEU HB3 1 99 VAL MG2 . . 3.520 2.298 1.952 2.799 . 0 0 "[ . 1 . 2]" 1
372 1 24 LEU HB3 1 100 GLY H . . 4.620 3.973 3.632 4.559 . 0 0 "[ . 1 . 2]" 1
373 1 24 LEU MD1 1 25 LYS H . . 4.770 4.120 3.710 4.397 . 0 0 "[ . 1 . 2]" 1
374 1 24 LEU MD1 1 71 PHE QE . . 3.770 3.074 2.650 3.391 . 0 0 "[ . 1 . 2]" 1
375 1 24 LEU MD1 1 71 PHE HZ . . 3.910 2.625 2.114 3.204 . 0 0 "[ . 1 . 2]" 1
376 1 24 LEU MD1 1 73 PRO HB2 . . 3.710 2.014 1.964 2.240 . 0 0 "[ . 1 . 2]" 1
377 1 24 LEU MD1 1 73 PRO HB3 . . 3.930 2.069 1.899 2.232 . 0 0 "[ . 1 . 2]" 1
378 1 24 LEU MD1 1 73 PRO HG2 . . 3.600 3.438 3.110 3.600 0.000 17 0 "[ . 1 . 2]" 1
379 1 24 LEU MD1 1 73 PRO HG3 . . 3.780 2.766 2.342 3.077 . 0 0 "[ . 1 . 2]" 1
380 1 24 LEU MD1 1 74 HIS H . . 5.500 5.501 5.482 5.510 0.010 4 0 "[ . 1 . 2]" 1
381 1 24 LEU MD1 1 98 ARG H . . 5.140 4.538 4.165 4.872 . 0 0 "[ . 1 . 2]" 1
382 1 24 LEU MD1 1 99 VAL HA . . 3.740 3.330 2.967 3.663 . 0 0 "[ . 1 . 2]" 1
383 1 24 LEU MD1 1 99 VAL HB . . 4.630 3.234 2.746 3.730 . 0 0 "[ . 1 . 2]" 1
384 1 24 LEU MD1 1 99 VAL MG2 . . 3.870 2.983 2.541 3.310 . 0 0 "[ . 1 . 2]" 1
385 1 24 LEU MD2 1 25 LYS H . . 4.050 2.616 2.197 3.242 . 0 0 "[ . 1 . 2]" 1
386 1 24 LEU MD2 1 73 PRO HB2 . . 4.450 3.520 2.999 4.147 . 0 0 "[ . 1 . 2]" 1
387 1 24 LEU MD2 1 73 PRO HG2 . . 4.590 3.230 2.799 3.988 . 0 0 "[ . 1 . 2]" 1
388 1 24 LEU MD2 1 73 PRO HG3 . . 3.990 2.105 1.819 2.700 . 0 0 "[ . 1 . 2]" 1
389 1 24 LEU HG 1 25 LYS H . . 5.500 4.666 4.221 4.981 . 0 0 "[ . 1 . 2]" 1
390 1 24 LEU HG 1 100 GLY H . . 5.500 5.361 4.958 5.500 . 0 0 "[ . 1 . 2]" 1
391 1 25 LYS H 1 25 LYS HB2 . . 3.550 2.601 2.445 2.848 . 0 0 "[ . 1 . 2]" 1
392 1 25 LYS H 1 25 LYS HB3 . . 3.910 3.737 3.615 3.896 . 0 0 "[ . 1 . 2]" 1
393 1 25 LYS H 1 25 LYS QG . . 3.750 3.277 2.879 3.743 . 0 0 "[ . 1 . 2]" 1
394 1 25 LYS H 1 26 VAL H . . 4.420 4.287 4.031 4.400 . 0 0 "[ . 1 . 2]" 1
395 1 25 LYS H 1 26 VAL HA . . 4.970 4.839 4.603 4.967 . 0 0 "[ . 1 . 2]" 1
396 1 25 LYS H 1 28 GLN QB . . 4.390 3.969 3.479 4.256 . 0 0 "[ . 1 . 2]" 1
397 1 25 LYS HA 1 25 LYS QG . . 3.790 2.339 2.136 2.554 . 0 0 "[ . 1 . 2]" 1
398 1 25 LYS HA 1 26 VAL H . . 2.930 2.158 2.141 2.186 . 0 0 "[ . 1 . 2]" 1
399 1 25 LYS HA 1 26 VAL HA . . 5.070 4.368 4.343 4.409 . 0 0 "[ . 1 . 2]" 1
400 1 25 LYS HA 1 26 VAL MG1 . . 4.780 3.680 3.451 4.018 . 0 0 "[ . 1 . 2]" 1
401 1 25 LYS HA 1 100 GLY QA . . 5.170 4.597 4.143 5.072 . 0 0 "[ . 1 . 2]" 1
402 1 25 LYS HB2 1 26 VAL H . . 4.500 4.294 4.119 4.417 . 0 0 "[ . 1 . 2]" 1
403 1 25 LYS HB2 1 28 GLN H . . 5.350 4.870 4.404 5.187 . 0 0 "[ . 1 . 2]" 1
404 1 25 LYS HB2 1 28 GLN HB2 . . 4.340 2.810 2.102 3.906 . 0 0 "[ . 1 . 2]" 1
405 1 25 LYS HB2 1 28 GLN QB . . 3.650 2.429 2.028 2.733 . 0 0 "[ . 1 . 2]" 1
406 1 25 LYS HB2 1 28 GLN HB3 . . 4.340 2.956 2.052 3.495 . 0 0 "[ . 1 . 2]" 1
407 1 25 LYS HB2 1 28 GLN QG . . 4.000 3.248 1.982 4.008 0.008 13 0 "[ . 1 . 2]" 1
408 1 25 LYS HB3 1 26 VAL H . . 3.710 3.328 3.112 3.615 . 0 0 "[ . 1 . 2]" 1
409 1 25 LYS HB3 1 28 GLN QB . . 4.710 2.540 2.103 3.072 . 0 0 "[ . 1 . 2]" 1
410 1 25 LYS HB3 1 28 GLN QG . . 4.340 3.052 2.210 3.890 . 0 0 "[ . 1 . 2]" 1
411 1 25 LYS QE 1 25 LYS QG . . 3.380 2.221 2.063 2.582 . 0 0 "[ . 1 . 2]" 1
412 1 25 LYS QG 1 26 VAL H . . 4.270 4.008 3.688 4.253 . 0 0 "[ . 1 . 2]" 1
413 1 26 VAL H 1 26 VAL HB . . 3.690 3.619 3.600 3.638 . 0 0 "[ . 1 . 2]" 1
414 1 26 VAL H 1 26 VAL MG1 . . 3.420 2.211 1.956 2.551 . 0 0 "[ . 1 . 2]" 1
415 1 26 VAL H 1 26 VAL MG2 . . 3.210 2.134 1.887 2.337 . 0 0 "[ . 1 . 2]" 1
416 1 26 VAL HA 1 26 VAL MG1 . . 3.460 2.375 2.195 2.481 . 0 0 "[ . 1 . 2]" 1
417 1 26 VAL HA 1 26 VAL MG2 . . 3.300 3.192 3.178 3.203 . 0 0 "[ . 1 . 2]" 1
418 1 26 VAL HA 1 27 ASN H . . 2.900 2.243 2.164 2.333 . 0 0 "[ . 1 . 2]" 1
419 1 26 VAL HA 1 27 ASN HA . . 4.660 4.415 4.381 4.444 . 0 0 "[ . 1 . 2]" 1
420 1 26 VAL HA 1 28 GLN H . . 4.070 3.552 3.331 3.832 . 0 0 "[ . 1 . 2]" 1
421 1 26 VAL HA 1 72 ILE MG . . 4.990 4.297 3.906 4.727 . 0 0 "[ . 1 . 2]" 1
422 1 26 VAL HA 1 73 PRO HG2 . . 4.240 3.735 3.582 3.803 . 0 0 "[ . 1 . 2]" 1
423 1 26 VAL HA 1 73 PRO HG3 . . 5.500 5.477 5.322 5.511 0.011 13 0 "[ . 1 . 2]" 1
424 1 26 VAL HB 1 27 ASN H . . 3.770 2.835 2.559 3.162 . 0 0 "[ . 1 . 2]" 1
425 1 26 VAL HB 1 74 HIS HA . . 4.570 3.899 3.505 4.325 . 0 0 "[ . 1 . 2]" 1
426 1 26 VAL HB 1 75 GLU H . . 5.500 4.981 4.597 5.421 . 0 0 "[ . 1 . 2]" 1
427 1 26 VAL MG1 1 27 ASN H . . 4.010 3.822 3.554 3.986 . 0 0 "[ . 1 . 2]" 1
428 1 26 VAL MG1 1 74 HIS HA . . 4.060 3.169 2.483 3.699 . 0 0 "[ . 1 . 2]" 1
429 1 26 VAL MG1 1 75 GLU H . . 4.070 3.424 2.887 3.941 . 0 0 "[ . 1 . 2]" 1
430 1 26 VAL MG1 1 100 GLY H . . 4.620 4.234 3.737 4.598 . 0 0 "[ . 1 . 2]" 1
431 1 26 VAL MG2 1 27 ASN H . . 4.070 3.729 3.543 3.947 . 0 0 "[ . 1 . 2]" 1
432 1 26 VAL MG2 1 27 ASN HA . . 5.140 4.826 4.600 5.092 . 0 0 "[ . 1 . 2]" 1
433 1 26 VAL MG2 1 27 ASN QB . . 3.770 3.248 2.638 3.720 . 0 0 "[ . 1 . 2]" 1
434 1 26 VAL MG2 1 27 ASN HD21 . . 4.270 2.747 1.898 4.090 . 0 0 "[ . 1 . 2]" 1
435 1 26 VAL MG2 1 27 ASN QD . . 3.740 2.502 1.799 3.331 . 0 0 "[ . 1 . 2]" 1
436 1 26 VAL MG2 1 27 ASN HD22 . . 4.270 3.177 2.075 4.222 . 0 0 "[ . 1 . 2]" 1
437 1 26 VAL MG2 1 28 GLN H . . 5.180 4.871 4.334 5.129 . 0 0 "[ . 1 . 2]" 1
438 1 27 ASN H 1 27 ASN HA . . 2.910 2.278 2.273 2.298 . 0 0 "[ . 1 . 2]" 1
439 1 27 ASN H 1 27 ASN QB . . 3.740 3.275 2.920 3.441 . 0 0 "[ . 1 . 2]" 1
440 1 27 ASN H 1 28 GLN H . . 3.580 2.730 2.542 2.890 . 0 0 "[ . 1 . 2]" 1
441 1 27 ASN H 1 72 ILE MG . . 3.740 3.177 2.658 3.597 . 0 0 "[ . 1 . 2]" 1
442 1 27 ASN H 1 73 PRO HG2 . . 4.930 4.802 4.327 4.934 0.004 10 0 "[ . 1 . 2]" 1
443 1 27 ASN H 1 74 HIS HA . . 4.000 3.707 3.235 3.983 . 0 0 "[ . 1 . 2]" 1
444 1 27 ASN HA 1 72 ILE MG . . 3.280 2.840 2.334 3.168 . 0 0 "[ . 1 . 2]" 1
445 1 27 ASN QB 1 27 ASN QD . . 3.030 2.136 2.064 2.614 . 0 0 "[ . 1 . 2]" 1
446 1 27 ASN QB 1 27 ASN HD22 . . 3.690 3.251 3.213 3.454 . 0 0 "[ . 1 . 2]" 1
447 1 27 ASN QB 1 28 GLN H . . 4.350 3.867 3.740 4.051 . 0 0 "[ . 1 . 2]" 1
448 1 27 ASN QB 1 72 ILE MG . . 4.740 4.389 3.793 4.747 0.007 13 0 "[ . 1 . 2]" 1
449 1 28 GLN H 1 28 GLN HB2 . . 3.820 2.960 2.652 3.828 0.008 19 0 "[ . 1 . 2]" 1
450 1 28 GLN H 1 28 GLN QB . . 3.190 2.636 2.449 2.740 . 0 0 "[ . 1 . 2]" 1
451 1 28 GLN H 1 28 GLN HB3 . . 3.820 3.425 2.537 3.822 0.002 8 0 "[ . 1 . 2]" 1
452 1 28 GLN H 1 28 GLN QG . . 3.860 3.570 2.589 3.949 0.089 20 0 "[ . 1 . 2]" 1
453 1 28 GLN H 1 29 PRO HD3 . . 4.990 4.723 4.587 4.835 . 0 0 "[ . 1 . 2]" 1
454 1 28 GLN H 1 72 ILE HA . . 5.020 4.355 4.061 4.651 . 0 0 "[ . 1 . 2]" 1
455 1 28 GLN H 1 72 ILE MG . . 4.020 2.752 2.411 3.063 . 0 0 "[ . 1 . 2]" 1
456 1 28 GLN H 1 73 PRO HD2 . . 4.650 3.631 3.217 3.817 . 0 0 "[ . 1 . 2]" 1
457 1 28 GLN HA 1 28 GLN QG . . 3.780 2.549 2.148 3.429 . 0 0 "[ . 1 . 2]" 1
458 1 28 GLN HA 1 29 PRO HD2 . . 3.170 2.214 2.132 2.263 . 0 0 "[ . 1 . 2]" 1
459 1 28 GLN HA 1 29 PRO HD3 . . 3.050 2.254 2.251 2.259 . 0 0 "[ . 1 . 2]" 1
460 1 28 GLN HA 1 29 PRO HG2 . . 4.670 4.363 4.298 4.402 . 0 0 "[ . 1 . 2]" 1
461 1 28 GLN HA 1 29 PRO HG3 . . 4.670 4.374 4.341 4.396 . 0 0 "[ . 1 . 2]" 1
462 1 28 GLN QB 1 29 PRO HD2 . . 3.390 2.707 2.357 3.280 . 0 0 "[ . 1 . 2]" 1
463 1 28 GLN QB 1 29 PRO HD3 . . 4.150 3.849 3.599 4.134 . 0 0 "[ . 1 . 2]" 1
464 1 28 GLN QB 1 73 PRO HD2 . . 5.040 4.459 4.246 4.803 . 0 0 "[ . 1 . 2]" 1
465 1 28 GLN QG 1 29 PRO HD2 . . 4.090 2.999 1.981 4.024 . 0 0 "[ . 1 . 2]" 1
466 1 29 PRO HA 1 30 ALA H . . 2.810 2.158 2.151 2.169 . 0 0 "[ . 1 . 2]" 1
467 1 29 PRO HA 1 71 PHE H . . 4.690 4.516 4.299 4.664 . 0 0 "[ . 1 . 2]" 1
468 1 29 PRO HA 1 72 ILE HA . . 3.660 3.275 2.946 3.662 0.002 19 0 "[ . 1 . 2]" 1
469 1 29 PRO HA 1 72 ILE MD . . 4.390 4.166 3.789 4.366 . 0 0 "[ . 1 . 2]" 1
470 1 29 PRO HA 1 72 ILE HG12 . . 3.950 2.810 2.619 2.972 . 0 0 "[ . 1 . 2]" 1
471 1 29 PRO HA 1 72 ILE QG . . 3.300 2.703 2.576 2.805 . 0 0 "[ . 1 . 2]" 1
472 1 29 PRO HA 1 72 ILE HG13 . . 3.950 3.579 3.169 3.931 . 0 0 "[ . 1 . 2]" 1
473 1 29 PRO HA 1 72 ILE MG . . 4.270 4.021 3.311 4.271 0.001 9 0 "[ . 1 . 2]" 1
474 1 29 PRO HB2 1 30 ALA H . . 4.090 3.732 3.518 3.842 . 0 0 "[ . 1 . 2]" 1
475 1 29 PRO HB2 1 70 ARG QD . . 3.690 3.090 2.515 3.707 0.017 13 0 "[ . 1 . 2]" 1
476 1 29 PRO HB3 1 30 ALA H . . 4.230 4.140 3.990 4.218 . 0 0 "[ . 1 . 2]" 1
477 1 29 PRO HB3 1 70 ARG QD . . 4.020 3.074 2.673 3.731 . 0 0 "[ . 1 . 2]" 1
478 1 29 PRO HB3 1 72 ILE MD . . 4.390 4.358 4.137 4.395 0.005 4 0 "[ . 1 . 2]" 1
479 1 29 PRO HB3 1 72 ILE QG . . 4.230 3.695 3.323 4.079 . 0 0 "[ . 1 . 2]" 1
480 1 29 PRO HD3 1 72 ILE MD . . 4.990 4.777 4.459 4.984 . 0 0 "[ . 1 . 2]" 1
481 1 30 ALA H 1 30 ALA MB . . 3.230 2.497 2.407 2.617 . 0 0 "[ . 1 . 2]" 1
482 1 30 ALA H 1 31 SER H . . 4.740 4.278 4.093 4.462 . 0 0 "[ . 1 . 2]" 1
483 1 30 ALA H 1 70 ARG HA . . 5.070 4.731 4.412 4.899 . 0 0 "[ . 1 . 2]" 1
484 1 30 ALA H 1 71 PHE H . . 3.790 3.156 2.827 3.329 . 0 0 "[ . 1 . 2]" 1
485 1 30 ALA H 1 72 ILE HA . . 3.800 3.128 2.966 3.374 . 0 0 "[ . 1 . 2]" 1
486 1 30 ALA H 1 72 ILE HG12 . . 4.930 4.195 3.546 4.474 . 0 0 "[ . 1 . 2]" 1
487 1 30 ALA H 1 72 ILE QG . . 4.330 3.817 3.393 4.027 . 0 0 "[ . 1 . 2]" 1
488 1 30 ALA H 1 72 ILE HG13 . . 4.930 4.428 4.043 4.741 . 0 0 "[ . 1 . 2]" 1
489 1 30 ALA H 1 73 PRO HD2 . . 4.600 3.273 2.941 3.641 . 0 0 "[ . 1 . 2]" 1
490 1 30 ALA H 1 73 PRO HD3 . . 4.500 3.162 2.780 3.598 . 0 0 "[ . 1 . 2]" 1
491 1 30 ALA HA 1 31 SER H . . 2.650 2.169 2.141 2.326 . 0 0 "[ . 1 . 2]" 1
492 1 30 ALA HA 1 31 SER HA . . 4.930 4.410 4.394 4.497 . 0 0 "[ . 1 . 2]" 1
493 1 30 ALA MB 1 31 SER H . . 3.350 3.123 2.662 3.348 . 0 0 "[ . 1 . 2]" 1
494 1 30 ALA MB 1 31 SER HA . . 4.890 4.048 3.841 4.181 . 0 0 "[ . 1 . 2]" 1
495 1 30 ALA MB 1 71 PHE H . . 4.260 3.984 3.593 4.240 . 0 0 "[ . 1 . 2]" 1
496 1 30 ALA MB 1 71 PHE QD . . 4.270 3.958 3.467 4.182 . 0 0 "[ . 1 . 2]" 1
497 1 30 ALA MB 1 71 PHE QE . . 3.770 3.341 3.051 3.581 . 0 0 "[ . 1 . 2]" 1
498 1 30 ALA MB 1 73 PRO HD2 . . 4.500 2.869 2.639 3.087 . 0 0 "[ . 1 . 2]" 1
499 1 30 ALA MB 1 73 PRO HD3 . . 4.170 2.252 1.931 2.663 . 0 0 "[ . 1 . 2]" 1
500 1 30 ALA MB 1 73 PRO HG3 . . 3.620 2.351 2.032 2.746 . 0 0 "[ . 1 . 2]" 1
501 1 31 SER H 1 31 SER HB2 . . 4.020 3.630 3.045 3.962 . 0 0 "[ . 1 . 2]" 1
502 1 31 SER H 1 31 SER QB . . 3.450 2.848 2.481 3.190 . 0 0 "[ . 1 . 2]" 1
503 1 31 SER H 1 31 SER HB3 . . 4.020 2.984 2.608 3.364 . 0 0 "[ . 1 . 2]" 1
504 1 31 SER H 1 32 PHE H . . 4.540 4.453 4.388 4.517 . 0 0 "[ . 1 . 2]" 1
505 1 31 SER H 1 71 PHE H . . 5.440 4.676 4.390 4.905 . 0 0 "[ . 1 . 2]" 1
506 1 31 SER HA 1 32 PHE H . . 2.790 2.360 2.228 2.469 . 0 0 "[ . 1 . 2]" 1
507 1 31 SER HA 1 32 PHE QD . . 4.510 3.645 3.192 4.081 . 0 0 "[ . 1 . 2]" 1
508 1 31 SER HA 1 69 VAL H . . 4.830 4.434 4.189 4.720 . 0 0 "[ . 1 . 2]" 1
509 1 31 SER HA 1 70 ARG HA . . 3.380 2.366 1.999 2.692 . 0 0 "[ . 1 . 2]" 1
510 1 31 SER HA 1 70 ARG HB2 . . 5.030 4.606 4.199 5.021 . 0 0 "[ . 1 . 2]" 1
511 1 31 SER HA 1 70 ARG QG . . 4.650 3.820 3.418 4.103 . 0 0 "[ . 1 . 2]" 1
512 1 31 SER HA 1 71 PHE H . . 4.030 3.247 3.009 3.487 . 0 0 "[ . 1 . 2]" 1
513 1 31 SER QB 1 32 PHE H . . 3.340 2.796 2.356 3.327 . 0 0 "[ . 1 . 2]" 1
514 1 31 SER QB 1 68 ALA MB . . 4.300 3.778 3.349 4.291 . 0 0 "[ . 1 . 2]" 1
515 1 31 SER QB 1 70 ARG HA . . 3.840 2.045 1.922 2.423 . 0 0 "[ . 1 . 2]" 1
516 1 31 SER QB 1 70 ARG HB2 . . 4.260 2.773 2.255 3.517 . 0 0 "[ . 1 . 2]" 1
517 1 31 SER QB 1 70 ARG QG . . 3.580 2.183 2.003 2.433 . 0 0 "[ . 1 . 2]" 1
518 1 31 SER QB 1 71 PHE H . . 3.730 3.545 3.405 3.683 . 0 0 "[ . 1 . 2]" 1
519 1 31 SER HB2 1 32 PHE H . . 4.160 2.983 2.380 4.022 . 0 0 "[ . 1 . 2]" 1
520 1 31 SER HB2 1 68 ALA MB . . 5.140 4.053 3.433 5.139 . 0 0 "[ . 1 . 2]" 1
521 1 31 SER HB2 1 70 ARG HA . . 4.370 2.513 1.999 2.955 . 0 0 "[ . 1 . 2]" 1
522 1 31 SER HB2 1 70 ARG HB2 . . 4.860 3.291 2.655 3.872 . 0 0 "[ . 1 . 2]" 1
523 1 31 SER HB2 1 70 ARG HG2 . . 4.930 4.047 3.052 4.912 . 0 0 "[ . 1 . 2]" 1
524 1 31 SER HB2 1 70 ARG HG3 . . 4.930 3.467 2.138 4.625 . 0 0 "[ . 1 . 2]" 1
525 1 31 SER HB3 1 32 PHE H . . 4.160 3.817 3.471 4.054 . 0 0 "[ . 1 . 2]" 1
526 1 31 SER HB3 1 68 ALA MB . . 5.140 4.779 4.488 5.081 . 0 0 "[ . 1 . 2]" 1
527 1 31 SER HB3 1 70 ARG HA . . 4.370 2.589 2.001 3.904 . 0 0 "[ . 1 . 2]" 1
528 1 31 SER HB3 1 70 ARG HB2 . . 4.860 3.308 2.311 4.840 . 0 0 "[ . 1 . 2]" 1
529 1 31 SER HB3 1 70 ARG HG2 . . 4.930 3.476 2.054 4.909 . 0 0 "[ . 1 . 2]" 1
530 1 31 SER HB3 1 70 ARG HG3 . . 4.930 2.821 2.061 3.854 . 0 0 "[ . 1 . 2]" 1
531 1 32 PHE H 1 32 PHE QB . . 3.660 3.130 2.999 3.230 . 0 0 "[ . 1 . 2]" 1
532 1 32 PHE H 1 32 PHE QD . . 3.700 3.095 2.744 3.289 . 0 0 "[ . 1 . 2]" 1
533 1 32 PHE H 1 32 PHE QE . . 4.940 4.248 4.052 4.391 . 0 0 "[ . 1 . 2]" 1
534 1 32 PHE H 1 68 ALA MB . . 5.000 4.661 4.309 4.957 . 0 0 "[ . 1 . 2]" 1
535 1 32 PHE H 1 69 VAL H . . 3.450 2.807 2.633 3.126 . 0 0 "[ . 1 . 2]" 1
536 1 32 PHE H 1 69 VAL HB . . 4.160 3.328 3.135 3.587 . 0 0 "[ . 1 . 2]" 1
537 1 32 PHE H 1 69 VAL MG1 . . 4.910 4.325 4.038 4.692 . 0 0 "[ . 1 . 2]" 1
538 1 32 PHE H 1 69 VAL MG2 . . 4.650 4.445 4.150 4.572 . 0 0 "[ . 1 . 2]" 1
539 1 32 PHE H 1 70 ARG HA . . 4.400 3.982 3.626 4.278 . 0 0 "[ . 1 . 2]" 1
540 1 32 PHE H 1 71 PHE QD . . 5.360 4.357 4.081 4.860 . 0 0 "[ . 1 . 2]" 1
541 1 32 PHE HA 1 32 PHE QD . . 4.140 3.713 3.681 3.727 . 0 0 "[ . 1 . 2]" 1
542 1 32 PHE HA 1 33 ALA H . . 3.150 2.415 2.369 2.445 . 0 0 "[ . 1 . 2]" 1
543 1 32 PHE QB 1 33 ALA H . . 3.040 2.377 2.316 2.472 . 0 0 "[ . 1 . 2]" 1
544 1 32 PHE HB2 1 33 ALA H . . 3.750 2.407 2.342 2.510 . 0 0 "[ . 1 . 2]" 1
545 1 32 PHE HB3 1 33 ALA H . . 3.750 3.695 3.619 3.750 . 0 0 "[ . 1 . 2]" 1
546 1 32 PHE QD 1 33 ALA H . . 3.700 3.379 3.030 3.575 . 0 0 "[ . 1 . 2]" 1
547 1 32 PHE QD 1 33 ALA HA . . 4.910 3.677 3.276 3.979 . 0 0 "[ . 1 . 2]" 1
548 1 32 PHE QD 1 34 ILE MD . . 4.150 3.567 3.287 3.844 . 0 0 "[ . 1 . 2]" 1
549 1 32 PHE QD 1 34 ILE HG12 . . 4.270 3.183 2.817 3.432 . 0 0 "[ . 1 . 2]" 1
550 1 32 PHE QD 1 34 ILE HG13 . . 4.350 2.596 2.257 2.835 . 0 0 "[ . 1 . 2]" 1
551 1 32 PHE QD 1 69 VAL MG2 . . 4.050 3.697 3.346 4.051 0.001 19 0 "[ . 1 . 2]" 1
552 1 32 PHE QE 1 34 ILE MD . . 3.700 2.097 1.919 2.387 . 0 0 "[ . 1 . 2]" 1
553 1 32 PHE QE 1 34 ILE HG12 . . 3.850 2.723 2.307 3.164 . 0 0 "[ . 1 . 2]" 1
554 1 32 PHE QE 1 34 ILE HG13 . . 4.260 2.727 2.049 3.118 . 0 0 "[ . 1 . 2]" 1
555 1 32 PHE QE 1 34 ILE MG . . 4.740 4.407 4.058 4.705 . 0 0 "[ . 1 . 2]" 1
556 1 32 PHE QE 1 69 VAL MG1 . . 3.820 3.049 2.504 3.640 . 0 0 "[ . 1 . 2]" 1
557 1 32 PHE QE 1 69 VAL MG2 . . 3.810 2.581 1.987 3.173 . 0 0 "[ . 1 . 2]" 1
558 1 32 PHE QE 1 81 ILE MD . . 3.960 3.257 2.658 3.961 0.001 10 0 "[ . 1 . 2]" 1
559 1 32 PHE QE 1 81 ILE MG . . 3.630 3.255 2.776 3.625 . 0 0 "[ . 1 . 2]" 1
560 1 32 PHE QE 1 83 VAL MG2 . . 4.070 3.797 3.486 3.998 . 0 0 "[ . 1 . 2]" 1
561 1 32 PHE HZ 1 45 ALA MB . . 4.460 2.941 2.404 3.535 . 0 0 "[ . 1 . 2]" 1
562 1 32 PHE HZ 1 69 VAL MG1 . . 3.690 2.569 2.293 3.301 . 0 0 "[ . 1 . 2]" 1
563 1 32 PHE HZ 1 69 VAL MG2 . . 4.110 3.208 2.653 3.766 . 0 0 "[ . 1 . 2]" 1
564 1 32 PHE HZ 1 81 ILE MG . . 3.680 3.136 2.727 3.570 . 0 0 "[ . 1 . 2]" 1
565 1 32 PHE HZ 1 83 VAL MG2 . . 3.780 3.616 3.363 3.768 . 0 0 "[ . 1 . 2]" 1
566 1 33 ALA H 1 33 ALA MB . . 3.260 2.319 2.250 2.443 . 0 0 "[ . 1 . 2]" 1
567 1 33 ALA H 1 34 ILE H . . 4.560 4.498 4.426 4.559 . 0 0 "[ . 1 . 2]" 1
568 1 33 ALA HA 1 34 ILE H . . 2.780 2.223 2.159 2.348 . 0 0 "[ . 1 . 2]" 1
569 1 33 ALA HA 1 34 ILE MD . . 4.980 4.706 4.407 4.974 . 0 0 "[ . 1 . 2]" 1
570 1 33 ALA HA 1 34 ILE HG13 . . 4.230 3.526 3.297 3.757 . 0 0 "[ . 1 . 2]" 1
571 1 33 ALA HA 1 68 ALA HA . . 3.400 2.809 2.444 3.112 . 0 0 "[ . 1 . 2]" 1
572 1 33 ALA HA 1 68 ALA MB . . 4.420 3.955 3.565 4.241 . 0 0 "[ . 1 . 2]" 1
573 1 33 ALA HA 1 69 VAL H . . 4.160 3.945 3.620 4.158 . 0 0 "[ . 1 . 2]" 1
574 1 33 ALA HA 1 69 VAL MG2 . . 4.950 4.621 4.229 4.876 . 0 0 "[ . 1 . 2]" 1
575 1 33 ALA MB 1 34 ILE H . . 3.200 2.876 2.605 3.089 . 0 0 "[ . 1 . 2]" 1
576 1 33 ALA MB 1 34 ILE HA . . 4.740 4.096 3.973 4.241 . 0 0 "[ . 1 . 2]" 1
577 1 33 ALA MB 1 66 LYS HE2 . . 3.630 2.490 1.945 3.554 . 0 0 "[ . 1 . 2]" 1
578 1 33 ALA MB 1 66 LYS HE3 . . 3.630 2.385 1.885 3.633 0.003 19 0 "[ . 1 . 2]" 1
579 1 33 ALA MB 1 68 ALA HA . . 5.010 3.985 3.625 4.271 . 0 0 "[ . 1 . 2]" 1
580 1 34 ILE H 1 34 ILE HB . . 3.400 2.630 2.535 2.771 . 0 0 "[ . 1 . 2]" 1
581 1 34 ILE H 1 34 ILE MD . . 4.210 3.784 3.520 4.050 . 0 0 "[ . 1 . 2]" 1
582 1 34 ILE H 1 34 ILE HG12 . . 4.300 3.945 3.690 4.099 . 0 0 "[ . 1 . 2]" 1
583 1 34 ILE H 1 34 ILE HG13 . . 3.680 2.667 2.450 2.904 . 0 0 "[ . 1 . 2]" 1
584 1 34 ILE H 1 34 ILE MG . . 4.160 3.844 3.800 3.906 . 0 0 "[ . 1 . 2]" 1
585 1 34 ILE H 1 35 ARG H . . 4.570 4.231 3.908 4.503 . 0 0 "[ . 1 . 2]" 1
586 1 34 ILE H 1 66 LYS QE . . 4.800 4.134 3.720 4.540 . 0 0 "[ . 1 . 2]" 1
587 1 34 ILE H 1 67 TYR HB2 . . 4.320 3.536 3.135 3.955 . 0 0 "[ . 1 . 2]" 1
588 1 34 ILE H 1 67 TYR HB3 . . 5.240 4.506 4.168 4.835 . 0 0 "[ . 1 . 2]" 1
589 1 34 ILE H 1 69 VAL MG2 . . 4.670 4.578 4.410 4.661 . 0 0 "[ . 1 . 2]" 1
590 1 34 ILE HA 1 34 ILE MD . . 4.440 3.878 3.827 3.923 . 0 0 "[ . 1 . 2]" 1
591 1 34 ILE HA 1 34 ILE HG12 . . 4.080 2.658 2.530 2.785 . 0 0 "[ . 1 . 2]" 1
592 1 34 ILE HA 1 34 ILE HG13 . . 4.200 2.927 2.790 3.084 . 0 0 "[ . 1 . 2]" 1
593 1 34 ILE HA 1 34 ILE MG . . 3.510 2.399 2.319 2.463 . 0 0 "[ . 1 . 2]" 1
594 1 34 ILE HA 1 35 ARG H . . 2.960 2.166 2.140 2.229 . 0 0 "[ . 1 . 2]" 1
595 1 34 ILE HB 1 34 ILE MD . . 3.290 2.332 2.268 2.416 . 0 0 "[ . 1 . 2]" 1
596 1 34 ILE HB 1 35 ARG H . . 4.700 4.285 3.886 4.427 . 0 0 "[ . 1 . 2]" 1
597 1 34 ILE HB 1 43 ILE MD . . 4.530 4.111 3.704 4.478 . 0 0 "[ . 1 . 2]" 1
598 1 34 ILE HB 1 67 TYR H . . 3.730 3.345 2.866 3.675 . 0 0 "[ . 1 . 2]" 1
599 1 34 ILE HB 1 67 TYR HB2 . . 3.820 2.368 2.003 2.848 . 0 0 "[ . 1 . 2]" 1
600 1 34 ILE HB 1 67 TYR HB3 . . 4.450 3.788 3.174 4.375 . 0 0 "[ . 1 . 2]" 1
601 1 34 ILE HB 1 67 TYR QD . . 4.910 4.072 3.821 4.262 . 0 0 "[ . 1 . 2]" 1
602 1 34 ILE MD 1 67 TYR HB2 . . 4.600 3.031 2.586 3.321 . 0 0 "[ . 1 . 2]" 1
603 1 34 ILE MD 1 67 TYR HB3 . . 3.900 3.342 2.845 3.810 . 0 0 "[ . 1 . 2]" 1
604 1 34 ILE MD 1 69 VAL MG2 . . 3.140 1.963 1.734 2.104 . 0 0 "[ . 1 . 2]" 1
605 1 34 ILE HG12 1 34 ILE MG . . 3.390 2.273 2.195 2.383 . 0 0 "[ . 1 . 2]" 1
606 1 34 ILE HG12 1 69 VAL MG2 . . 4.440 3.931 3.579 4.342 . 0 0 "[ . 1 . 2]" 1
607 1 34 ILE HG13 1 34 ILE MG . . 3.420 3.188 3.166 3.202 . 0 0 "[ . 1 . 2]" 1
608 1 34 ILE HG13 1 69 VAL MG2 . . 3.710 3.043 2.710 3.349 . 0 0 "[ . 1 . 2]" 1
609 1 34 ILE MG 1 35 ARG H . . 3.700 2.920 2.060 3.274 . 0 0 "[ . 1 . 2]" 1
610 1 34 ILE MG 1 35 ARG HA . . 4.830 4.041 3.701 4.318 . 0 0 "[ . 1 . 2]" 1
611 1 34 ILE MG 1 36 LEU H . . 5.050 4.587 4.309 4.815 . 0 0 "[ . 1 . 2]" 1
612 1 34 ILE MG 1 36 LEU HA . . 4.280 4.126 4.022 4.265 . 0 0 "[ . 1 . 2]" 1
613 1 34 ILE MG 1 67 TYR HB2 . . 4.390 3.715 3.327 4.185 . 0 0 "[ . 1 . 2]" 1
614 1 35 ARG H 1 35 ARG HB2 . . 3.770 3.048 2.923 3.330 . 0 0 "[ . 1 . 2]" 1
615 1 35 ARG H 1 35 ARG QB . . 3.300 2.161 2.124 2.328 . 0 0 "[ . 1 . 2]" 1
616 1 35 ARG H 1 35 ARG HB3 . . 3.770 2.211 2.174 2.376 . 0 0 "[ . 1 . 2]" 1
617 1 35 ARG H 1 35 ARG HG2 . . 4.770 4.080 4.026 4.146 . 0 0 "[ . 1 . 2]" 1
618 1 35 ARG H 1 35 ARG HG3 . . 4.600 4.402 4.377 4.432 . 0 0 "[ . 1 . 2]" 1
619 1 35 ARG H 1 36 LEU H . . 5.040 4.560 4.442 4.609 . 0 0 "[ . 1 . 2]" 1
620 1 35 ARG HA 1 35 ARG QD . . 4.220 3.936 3.708 4.225 0.005 17 0 "[ . 1 . 2]" 1
621 1 35 ARG HA 1 35 ARG HG2 . . 4.210 3.725 3.677 3.750 . 0 0 "[ . 1 . 2]" 1
622 1 35 ARG HA 1 35 ARG HG3 . . 3.840 2.793 2.760 2.823 . 0 0 "[ . 1 . 2]" 1
623 1 35 ARG HA 1 36 LEU H . . 2.810 2.188 2.163 2.224 . 0 0 "[ . 1 . 2]" 1
624 1 35 ARG HA 1 36 LEU HA . . 4.850 4.394 4.385 4.406 . 0 0 "[ . 1 . 2]" 1
625 1 35 ARG HA 1 36 LEU HG . . 4.760 3.600 3.426 3.732 . 0 0 "[ . 1 . 2]" 1
626 1 35 ARG HA 1 66 LYS HA . . 3.620 3.407 3.224 3.600 . 0 0 "[ . 1 . 2]" 1
627 1 35 ARG HA 1 66 LYS QG . . 4.410 3.444 2.884 3.856 . 0 0 "[ . 1 . 2]" 1
628 1 35 ARG HA 1 67 TYR H . . 4.720 4.534 4.275 4.719 . 0 0 "[ . 1 . 2]" 1
629 1 35 ARG QB 1 35 ARG QD . . 3.440 2.185 2.019 2.378 . 0 0 "[ . 1 . 2]" 1
630 1 35 ARG QB 1 36 LEU H . . 3.700 3.583 3.508 3.655 . 0 0 "[ . 1 . 2]" 1
631 1 35 ARG QB 1 37 ASN HD22 . . 5.340 4.539 4.058 4.925 . 0 0 "[ . 1 . 2]" 1
632 1 35 ARG QD 1 36 LEU H . . 4.740 4.326 3.988 4.688 . 0 0 "[ . 1 . 2]" 1
633 1 35 ARG HG2 1 36 LEU H . . 4.030 3.782 3.609 3.894 . 0 0 "[ . 1 . 2]" 1
634 1 35 ARG HG2 1 37 ASN H . . 4.320 4.222 3.998 4.309 . 0 0 "[ . 1 . 2]" 1
635 1 35 ARG HG2 1 37 ASN HD21 . . 5.110 3.268 2.905 3.760 . 0 0 "[ . 1 . 2]" 1
636 1 35 ARG HG2 1 37 ASN HD22 . . 4.440 2.750 2.235 3.199 . 0 0 "[ . 1 . 2]" 1
637 1 35 ARG HG3 1 36 LEU H . . 3.530 2.432 2.220 2.630 . 0 0 "[ . 1 . 2]" 1
638 1 35 ARG HG3 1 36 LEU HA . . 5.500 3.854 3.751 4.027 . 0 0 "[ . 1 . 2]" 1
639 1 35 ARG HG3 1 37 ASN H . . 4.290 4.261 4.169 4.290 . 0 0 "[ . 1 . 2]" 1
640 1 35 ARG HG3 1 37 ASN HD22 . . 5.160 3.983 3.582 4.440 . 0 0 "[ . 1 . 2]" 1
641 1 36 LEU H 1 36 LEU HB2 . . 3.260 2.662 2.560 2.770 . 0 0 "[ . 1 . 2]" 1
642 1 36 LEU H 1 36 LEU MD1 . . 4.290 3.834 3.666 4.033 . 0 0 "[ . 1 . 2]" 1
643 1 36 LEU H 1 36 LEU MD2 . . 4.300 3.701 3.327 3.962 . 0 0 "[ . 1 . 2]" 1
644 1 36 LEU H 1 36 LEU HG . . 3.450 2.707 2.479 2.888 . 0 0 "[ . 1 . 2]" 1
645 1 36 LEU H 1 37 ASN HA . . 4.950 4.869 4.804 4.931 . 0 0 "[ . 1 . 2]" 1
646 1 36 LEU H 1 65 ASP HA . . 4.550 4.286 3.936 4.551 0.001 16 0 "[ . 1 . 2]" 1
647 1 36 LEU H 1 65 ASP QB . . 4.490 4.010 3.579 4.485 . 0 0 "[ . 1 . 2]" 1
648 1 36 LEU H 1 66 LYS HA . . 4.060 3.853 3.578 4.042 . 0 0 "[ . 1 . 2]" 1
649 1 36 LEU H 1 67 TYR QD . . 5.500 5.402 5.262 5.501 0.001 10 0 "[ . 1 . 2]" 1
650 1 36 LEU HA 1 36 LEU MD1 . . 4.630 3.926 3.867 3.971 . 0 0 "[ . 1 . 2]" 1
651 1 36 LEU HA 1 36 LEU MD2 . . 3.380 2.329 2.126 2.491 . 0 0 "[ . 1 . 2]" 1
652 1 36 LEU HA 1 36 LEU HG . . 4.220 3.157 3.008 3.363 . 0 0 "[ . 1 . 2]" 1
653 1 36 LEU HA 1 37 ASN HD21 . . 4.980 3.711 3.366 4.264 . 0 0 "[ . 1 . 2]" 1
654 1 36 LEU HA 1 39 ALA H . . 4.540 3.923 3.712 4.034 . 0 0 "[ . 1 . 2]" 1
655 1 36 LEU HA 1 39 ALA MB . . 4.320 3.829 3.498 4.036 . 0 0 "[ . 1 . 2]" 1
656 1 36 LEU HB2 1 36 LEU MD1 . . 3.670 2.250 2.038 2.400 . 0 0 "[ . 1 . 2]" 1
657 1 36 LEU HB2 1 37 ASN H . . 4.270 4.218 4.145 4.266 . 0 0 "[ . 1 . 2]" 1
658 1 36 LEU HB2 1 38 GLY H . . 4.720 3.297 3.114 3.401 . 0 0 "[ . 1 . 2]" 1
659 1 36 LEU HB2 1 39 ALA H . . 4.150 4.010 3.665 4.128 . 0 0 "[ . 1 . 2]" 1
660 1 36 LEU HB2 1 39 ALA MB . . 5.110 4.888 4.558 5.090 . 0 0 "[ . 1 . 2]" 1
661 1 36 LEU HB2 1 65 ASP HA . . 4.740 2.642 2.357 3.020 . 0 0 "[ . 1 . 2]" 1
662 1 36 LEU HB3 1 36 LEU MD1 . . 3.550 2.443 2.267 2.592 . 0 0 "[ . 1 . 2]" 1
663 1 36 LEU HB3 1 36 LEU MD2 . . 3.460 2.216 2.085 2.405 . 0 0 "[ . 1 . 2]" 1
664 1 36 LEU HB3 1 38 GLY H . . 5.020 2.737 2.603 2.877 . 0 0 "[ . 1 . 2]" 1
665 1 36 LEU HB3 1 39 ALA H . . 3.490 2.592 2.385 2.784 . 0 0 "[ . 1 . 2]" 1
666 1 36 LEU HB3 1 39 ALA MB . . 4.200 3.365 2.989 3.586 . 0 0 "[ . 1 . 2]" 1
667 1 36 LEU MD1 1 65 ASP HA . . 4.160 2.359 2.026 3.018 . 0 0 "[ . 1 . 2]" 1
668 1 36 LEU MD1 1 67 TYR H . . 4.850 4.373 4.130 4.619 . 0 0 "[ . 1 . 2]" 1
669 1 36 LEU MD1 1 67 TYR HB2 . . 4.200 4.000 3.763 4.201 0.001 12 0 "[ . 1 . 2]" 1
670 1 36 LEU MD1 1 67 TYR QD . . 3.700 2.152 1.994 2.543 . 0 0 "[ . 1 . 2]" 1
671 1 36 LEU MD1 1 67 TYR QE . . 3.440 1.917 1.810 2.006 . 0 0 "[ . 1 . 2]" 1
672 1 36 LEU MD2 1 39 ALA H . . 4.860 3.684 3.378 4.065 . 0 0 "[ . 1 . 2]" 1
673 1 36 LEU MD2 1 39 ALA MB . . 3.840 2.879 2.409 3.325 . 0 0 "[ . 1 . 2]" 1
674 1 36 LEU MD2 1 67 TYR QD . . 4.890 3.625 3.195 3.884 . 0 0 "[ . 1 . 2]" 1
675 1 36 LEU MD2 1 67 TYR QE . . 4.050 3.931 3.737 4.052 0.002 13 0 "[ . 1 . 2]" 1
676 1 36 LEU MD2 1 85 PHE QD . . 4.860 4.177 3.511 4.744 . 0 0 "[ . 1 . 2]" 1
677 1 36 LEU MD2 1 85 PHE QE . . 4.200 3.166 2.186 3.950 . 0 0 "[ . 1 . 2]" 1
678 1 36 LEU MD2 1 85 PHE HZ . . 4.590 4.204 3.550 4.588 . 0 0 "[ . 1 . 2]" 1
679 1 36 LEU HG 1 65 ASP HA . . 4.770 3.998 3.574 4.543 . 0 0 "[ . 1 . 2]" 1
680 1 36 LEU HG 1 67 TYR QD . . 4.190 3.254 3.020 3.501 . 0 0 "[ . 1 . 2]" 1
681 1 36 LEU HG 1 67 TYR QE . . 4.380 4.167 3.878 4.313 . 0 0 "[ . 1 . 2]" 1
682 1 37 ASN H 1 37 ASN HB3 . . 4.120 3.580 3.541 3.613 . 0 0 "[ . 1 . 2]" 1
683 1 37 ASN H 1 37 ASN HD22 . . 5.210 3.845 3.595 4.146 . 0 0 "[ . 1 . 2]" 1
684 1 37 ASN H 1 38 GLY H . . 3.520 2.823 2.715 2.884 . 0 0 "[ . 1 . 2]" 1
685 1 37 ASN H 1 39 ALA H . . 4.650 3.555 3.394 3.634 . 0 0 "[ . 1 . 2]" 1
686 1 37 ASN HA 1 37 ASN HD21 . . 4.580 3.653 3.500 3.895 . 0 0 "[ . 1 . 2]" 1
687 1 37 ASN HA 1 37 ASN HD22 . . 4.820 4.157 4.062 4.293 . 0 0 "[ . 1 . 2]" 1
688 1 37 ASN HB2 1 37 ASN HD21 . . 3.410 2.280 2.163 2.375 . 0 0 "[ . 1 . 2]" 1
689 1 37 ASN HB2 1 37 ASN HD22 . . 3.640 3.498 3.453 3.537 . 0 0 "[ . 1 . 2]" 1
690 1 38 GLY H 1 39 ALA H . . 3.660 2.105 1.982 2.230 . 0 0 "[ . 1 . 2]" 1
691 1 39 ALA H 1 39 ALA MB . . 2.920 2.290 2.163 2.415 . 0 0 "[ . 1 . 2]" 1
692 1 39 ALA H 1 40 LYS H . . 4.470 4.433 4.351 4.493 0.023 16 0 "[ . 1 . 2]" 1
693 1 39 ALA HA 1 40 LYS H . . 2.950 2.184 2.141 2.528 . 0 0 "[ . 1 . 2]" 1
694 1 39 ALA HA 1 40 LYS HA . . 4.670 4.416 4.389 4.628 . 0 0 "[ . 1 . 2]" 1
695 1 39 ALA MB 1 40 LYS H . . 3.480 3.075 2.146 3.321 . 0 0 "[ . 1 . 2]" 1
696 1 39 ALA MB 1 85 PHE QD . . 5.290 3.757 3.429 4.191 . 0 0 "[ . 1 . 2]" 1
697 1 39 ALA MB 1 85 PHE QE . . 3.620 2.549 2.131 2.908 . 0 0 "[ . 1 . 2]" 1
698 1 39 ALA MB 1 85 PHE HZ . . 3.690 2.437 2.003 2.989 . 0 0 "[ . 1 . 2]" 1
699 1 40 LYS H 1 40 LYS QB . . 3.280 2.795 2.292 3.266 . 0 0 "[ . 1 . 2]" 1
700 1 40 LYS H 1 40 LYS HG2 . . 4.420 2.645 1.968 4.404 . 0 0 "[ . 1 . 2]" 1
701 1 40 LYS H 1 40 LYS HG3 . . 4.420 3.523 2.947 4.112 . 0 0 "[ . 1 . 2]" 1
702 1 40 LYS H 1 41 GLY H . . 4.800 4.416 4.145 4.543 . 0 0 "[ . 1 . 2]" 1
703 1 40 LYS H 1 85 PHE QE . . 4.550 3.584 2.624 4.165 . 0 0 "[ . 1 . 2]" 1
704 1 40 LYS H 1 85 PHE HZ . . 4.240 3.308 2.411 4.116 . 0 0 "[ . 1 . 2]" 1
705 1 40 LYS HA 1 40 LYS QG . . 3.690 3.166 2.286 3.414 . 0 0 "[ . 1 . 2]" 1
706 1 40 LYS HA 1 41 GLY H . . 2.840 2.218 2.144 2.430 . 0 0 "[ . 1 . 2]" 1
707 1 40 LYS HA 1 85 PHE HZ . . 4.880 2.925 2.209 3.702 . 0 0 "[ . 1 . 2]" 1
708 1 40 LYS QB 1 41 GLY H . . 3.630 2.985 2.357 3.372 . 0 0 "[ . 1 . 2]" 1
709 1 40 LYS QG 1 41 GLY H . . 4.320 3.888 3.371 4.211 . 0 0 "[ . 1 . 2]" 1
710 1 40 LYS HG2 1 41 GLY H . . 4.920 4.638 3.847 4.917 . 0 0 "[ . 1 . 2]" 1
711 1 40 LYS HG3 1 41 GLY H . . 4.920 4.270 3.481 4.825 . 0 0 "[ . 1 . 2]" 1
712 1 41 GLY H 1 42 LYS H . . 4.750 4.010 3.256 4.385 . 0 0 "[ . 1 . 2]" 1
713 1 41 GLY H 1 85 PHE QE . . 4.420 3.993 3.471 4.411 . 0 0 "[ . 1 . 2]" 1
714 1 41 GLY H 1 85 PHE HZ . . 4.080 3.359 2.462 3.919 . 0 0 "[ . 1 . 2]" 1
715 1 41 GLY QA 1 42 LYS H . . 2.890 2.147 2.108 2.260 . 0 0 "[ . 1 . 2]" 1
716 1 41 GLY QA 1 42 LYS HA . . 4.640 3.981 3.931 4.068 . 0 0 "[ . 1 . 2]" 1
717 1 41 GLY QA 1 85 PHE QE . . 4.150 3.377 2.730 3.827 . 0 0 "[ . 1 . 2]" 1
718 1 41 GLY QA 1 85 PHE HZ . . 3.820 3.588 3.186 3.756 . 0 0 "[ . 1 . 2]" 1
719 1 41 GLY QA 1 86 ASN HD21 . . 3.840 2.873 2.110 3.818 . 0 0 "[ . 1 . 2]" 1
720 1 41 GLY QA 1 86 ASN QD . . 3.110 2.360 1.936 2.871 . 0 0 "[ . 1 . 2]" 1
721 1 41 GLY QA 1 86 ASN HD22 . . 3.840 3.074 1.953 3.836 . 0 0 "[ . 1 . 2]" 1
722 1 42 LYS H 1 42 LYS HB2 . . 3.760 2.855 2.359 3.724 . 0 0 "[ . 1 . 2]" 1
723 1 42 LYS H 1 42 LYS QB . . 3.240 2.571 2.330 2.813 . 0 0 "[ . 1 . 2]" 1
724 1 42 LYS H 1 42 LYS HB3 . . 3.760 3.197 2.666 3.751 . 0 0 "[ . 1 . 2]" 1
725 1 42 LYS H 1 42 LYS QG . . 4.460 3.744 2.232 4.339 . 0 0 "[ . 1 . 2]" 1
726 1 42 LYS H 1 43 ILE H . . 4.790 4.233 3.895 4.532 . 0 0 "[ . 1 . 2]" 1
727 1 42 LYS H 1 85 PHE HA . . 4.940 4.204 3.831 4.649 . 0 0 "[ . 1 . 2]" 1
728 1 42 LYS H 1 85 PHE QD . . 5.190 4.284 3.815 5.005 . 0 0 "[ . 1 . 2]" 1
729 1 42 LYS H 1 86 ASN H . . 3.900 3.271 2.717 3.542 . 0 0 "[ . 1 . 2]" 1
730 1 42 LYS H 1 86 ASN HA . . 4.510 3.620 2.978 4.153 . 0 0 "[ . 1 . 2]" 1
731 1 42 LYS H 1 86 ASN QD . . 4.630 3.503 2.561 4.055 . 0 0 "[ . 1 . 2]" 1
732 1 42 LYS HA 1 42 LYS QE . . 5.290 4.143 1.887 5.273 . 0 0 "[ . 1 . 2]" 1
733 1 42 LYS HA 1 42 LYS QG . . 3.910 2.514 2.220 3.342 . 0 0 "[ . 1 . 2]" 1
734 1 42 LYS HA 1 43 ILE H . . 2.830 2.183 2.140 2.337 . 0 0 "[ . 1 . 2]" 1
735 1 42 LYS HA 1 43 ILE HB . . 4.700 4.627 4.559 4.694 . 0 0 "[ . 1 . 2]" 1
736 1 42 LYS HA 1 43 ILE HG13 . . 4.800 3.743 3.403 4.309 . 0 0 "[ . 1 . 2]" 1
737 1 42 LYS QB 1 86 ASN H . . 4.050 3.068 2.665 4.047 . 0 0 "[ . 1 . 2]" 1
738 1 42 LYS QB 1 86 ASN HA . . 4.320 3.223 2.644 4.234 . 0 0 "[ . 1 . 2]" 1
739 1 42 LYS HB2 1 43 ILE H . . 4.880 4.280 2.613 4.597 . 0 0 "[ . 1 . 2]" 1
740 1 42 LYS HB2 1 86 ASN H . . 4.620 3.961 2.785 4.538 . 0 0 "[ . 1 . 2]" 1
741 1 42 LYS HB3 1 43 ILE H . . 4.880 3.847 3.314 4.343 . 0 0 "[ . 1 . 2]" 1
742 1 42 LYS HB3 1 86 ASN H . . 4.620 3.536 2.694 4.582 . 0 0 "[ . 1 . 2]" 1
743 1 42 LYS QG 1 43 ILE H . . 4.270 3.343 1.920 4.272 0.002 16 0 "[ . 1 . 2]" 1
744 1 43 ILE H 1 43 ILE HB . . 3.200 2.555 2.383 2.754 . 0 0 "[ . 1 . 2]" 1
745 1 43 ILE H 1 43 ILE MD . . 4.440 3.671 3.417 4.017 . 0 0 "[ . 1 . 2]" 1
746 1 43 ILE H 1 43 ILE HG12 . . 4.190 3.844 3.526 4.155 . 0 0 "[ . 1 . 2]" 1
747 1 43 ILE H 1 43 ILE HG13 . . 3.460 2.533 2.134 2.912 . 0 0 "[ . 1 . 2]" 1
748 1 43 ILE H 1 43 ILE MG . . 3.990 3.806 3.730 3.890 . 0 0 "[ . 1 . 2]" 1
749 1 43 ILE HA 1 43 ILE MD . . 4.590 3.871 3.827 3.904 . 0 0 "[ . 1 . 2]" 1
750 1 43 ILE HA 1 43 ILE MG . . 3.510 2.405 2.271 2.463 . 0 0 "[ . 1 . 2]" 1
751 1 43 ILE HA 1 44 ASP H . . 3.060 2.152 2.139 2.170 . 0 0 "[ . 1 . 2]" 1
752 1 43 ILE HA 1 85 PHE HA . . 3.910 3.246 2.866 3.727 . 0 0 "[ . 1 . 2]" 1
753 1 43 ILE HB 1 43 ILE MD . . 3.280 2.315 2.248 2.422 . 0 0 "[ . 1 . 2]" 1
754 1 43 ILE HB 1 44 ASP H . . 4.550 4.269 4.082 4.429 . 0 0 "[ . 1 . 2]" 1
755 1 43 ILE HB 1 59 VAL QG . . 3.800 3.419 2.785 3.786 . 0 0 "[ . 1 . 2]" 1
756 1 43 ILE HB 1 67 TYR QD . . 5.470 4.167 3.875 4.661 . 0 0 "[ . 1 . 2]" 1
757 1 43 ILE MD 1 43 ILE MG . . 2.950 2.185 1.987 2.310 . 0 0 "[ . 1 . 2]" 1
758 1 43 ILE MD 1 67 TYR HB2 . . 3.900 3.318 2.600 3.749 . 0 0 "[ . 1 . 2]" 1
759 1 43 ILE MD 1 67 TYR HB3 . . 4.120 3.677 3.111 4.055 . 0 0 "[ . 1 . 2]" 1
760 1 43 ILE MD 1 67 TYR QD . . 3.890 2.830 2.471 3.168 . 0 0 "[ . 1 . 2]" 1
761 1 43 ILE MD 1 67 TYR QE . . 4.450 2.685 2.548 2.938 . 0 0 "[ . 1 . 2]" 1
762 1 43 ILE MD 1 85 PHE HZ . . 5.220 4.681 3.597 5.153 . 0 0 "[ . 1 . 2]" 1
763 1 43 ILE HG12 1 43 ILE MG . . 3.750 2.223 2.157 2.332 . 0 0 "[ . 1 . 2]" 1
764 1 43 ILE HG12 1 44 ASP H . . 4.690 4.539 4.175 4.676 . 0 0 "[ . 1 . 2]" 1
765 1 43 ILE HG12 1 85 PHE QD . . 3.930 2.496 2.135 2.764 . 0 0 "[ . 1 . 2]" 1
766 1 43 ILE HG12 1 85 PHE HZ . . 5.180 4.817 4.295 5.137 . 0 0 "[ . 1 . 2]" 1
767 1 43 ILE HG13 1 85 PHE QD . . 4.020 3.540 3.222 3.974 . 0 0 "[ . 1 . 2]" 1
768 1 43 ILE HG13 1 85 PHE QE . . 4.530 2.744 2.350 3.487 . 0 0 "[ . 1 . 2]" 1
769 1 43 ILE MG 1 44 ASP H . . 3.490 2.707 2.252 3.082 . 0 0 "[ . 1 . 2]" 1
770 1 43 ILE MG 1 44 ASP HA . . 3.810 3.611 3.289 3.793 . 0 0 "[ . 1 . 2]" 1
771 1 43 ILE MG 1 67 TYR QD . . 4.030 3.741 3.449 4.023 . 0 0 "[ . 1 . 2]" 1
772 1 44 ASP H 1 44 ASP HB2 . . 3.880 2.695 2.345 3.169 . 0 0 "[ . 1 . 2]" 1
773 1 44 ASP H 1 44 ASP QB . . 3.350 2.518 2.309 2.704 . 0 0 "[ . 1 . 2]" 1
774 1 44 ASP H 1 44 ASP HB3 . . 3.880 3.405 2.373 3.789 . 0 0 "[ . 1 . 2]" 1
775 1 44 ASP H 1 84 LYS HB3 . . 5.170 4.870 4.428 5.170 0.000 4 0 "[ . 1 . 2]" 1
776 1 44 ASP H 1 85 PHE HA . . 4.260 3.686 3.383 3.947 . 0 0 "[ . 1 . 2]" 1
777 1 44 ASP HA 1 45 ALA H . . 2.790 2.158 2.140 2.222 . 0 0 "[ . 1 . 2]" 1
778 1 44 ASP HA 1 45 ALA HA . . 4.680 4.407 4.393 4.439 . 0 0 "[ . 1 . 2]" 1
779 1 44 ASP QB 1 45 ALA H . . 3.790 3.405 2.890 3.744 . 0 0 "[ . 1 . 2]" 1
780 1 44 ASP QB 1 84 LYS HB2 . . 3.470 2.482 1.994 3.122 . 0 0 "[ . 1 . 2]" 1
781 1 44 ASP QB 1 84 LYS HB3 . . 4.020 3.497 2.738 3.858 . 0 0 "[ . 1 . 2]" 1
782 1 44 ASP QB 1 84 LYS QD . . 5.180 3.824 3.234 4.841 . 0 0 "[ . 1 . 2]" 1
783 1 44 ASP HB2 1 45 ALA H . . 4.550 4.296 3.775 4.523 . 0 0 "[ . 1 . 2]" 1
784 1 44 ASP HB2 1 84 LYS H . . 4.570 3.638 2.727 4.344 . 0 0 "[ . 1 . 2]" 1
785 1 44 ASP HB2 1 84 LYS HB2 . . 4.070 2.948 2.062 3.749 . 0 0 "[ . 1 . 2]" 1
786 1 44 ASP HB3 1 45 ALA H . . 4.550 3.607 3.000 4.364 . 0 0 "[ . 1 . 2]" 1
787 1 44 ASP HB3 1 84 LYS H . . 4.570 3.701 2.530 4.407 . 0 0 "[ . 1 . 2]" 1
788 1 44 ASP HB3 1 84 LYS HB2 . . 4.070 3.194 2.009 3.989 . 0 0 "[ . 1 . 2]" 1
789 1 45 ALA H 1 45 ALA MB . . 3.260 2.525 2.316 2.660 . 0 0 "[ . 1 . 2]" 1
790 1 45 ALA HA 1 46 LYS H . . 2.730 2.150 2.141 2.184 . 0 0 "[ . 1 . 2]" 1
791 1 45 ALA HA 1 81 ILE MG . . 4.510 4.157 3.800 4.492 . 0 0 "[ . 1 . 2]" 1
792 1 45 ALA HA 1 83 VAL HA . . 3.540 2.861 2.636 3.036 . 0 0 "[ . 1 . 2]" 1
793 1 45 ALA HA 1 83 VAL MG1 . . 4.440 4.044 3.514 4.379 . 0 0 "[ . 1 . 2]" 1
794 1 45 ALA HA 1 83 VAL MG2 . . 4.410 3.367 2.864 3.852 . 0 0 "[ . 1 . 2]" 1
795 1 45 ALA HA 1 84 LYS H . . 4.050 3.859 3.627 4.039 . 0 0 "[ . 1 . 2]" 1
796 1 45 ALA MB 1 46 LYS H . . 3.480 3.246 2.994 3.460 . 0 0 "[ . 1 . 2]" 1
797 1 45 ALA MB 1 57 CYS H . . 4.430 4.218 4.005 4.429 . 0 0 "[ . 1 . 2]" 1
798 1 45 ALA MB 1 57 CYS HB2 . . 3.310 2.695 2.303 2.924 . 0 0 "[ . 1 . 2]" 1
799 1 45 ALA MB 1 57 CYS HB3 . . 3.960 3.843 3.121 3.954 . 0 0 "[ . 1 . 2]" 1
800 1 45 ALA MB 1 69 VAL MG1 . . 3.230 2.057 1.888 2.271 . 0 0 "[ . 1 . 2]" 1
801 1 45 ALA MB 1 69 VAL MG2 . . 3.600 2.379 2.091 2.793 . 0 0 "[ . 1 . 2]" 1
802 1 45 ALA MB 1 83 VAL HA . . 3.920 3.747 3.329 3.919 . 0 0 "[ . 1 . 2]" 1
803 1 46 LYS H 1 46 LYS HB2 . . 3.660 2.726 2.428 2.952 . 0 0 "[ . 1 . 2]" 1
804 1 46 LYS H 1 46 LYS HB3 . . 3.970 3.807 3.628 3.950 . 0 0 "[ . 1 . 2]" 1
805 1 46 LYS H 1 46 LYS QG . . 4.490 3.214 2.821 3.782 . 0 0 "[ . 1 . 2]" 1
806 1 46 LYS H 1 47 VAL HA . . 5.240 4.766 4.650 4.977 . 0 0 "[ . 1 . 2]" 1
807 1 46 LYS H 1 81 ILE HA . . 5.500 5.049 4.677 5.383 . 0 0 "[ . 1 . 2]" 1
808 1 46 LYS H 1 81 ILE MG . . 4.120 3.731 3.319 4.082 . 0 0 "[ . 1 . 2]" 1
809 1 46 LYS H 1 82 ASP H . . 3.770 3.318 2.990 3.597 . 0 0 "[ . 1 . 2]" 1
810 1 46 LYS H 1 82 ASP QB . . 3.600 3.257 2.793 3.589 . 0 0 "[ . 1 . 2]" 1
811 1 46 LYS H 1 83 VAL HA . . 4.280 3.992 3.726 4.258 . 0 0 "[ . 1 . 2]" 1
812 1 46 LYS HA 1 46 LYS QD . . 4.780 3.737 2.362 4.242 . 0 0 "[ . 1 . 2]" 1
813 1 46 LYS HA 1 47 VAL H . . 2.800 2.278 2.218 2.379 . 0 0 "[ . 1 . 2]" 1
814 1 46 LYS HA 1 47 VAL HB . . 4.900 4.371 4.303 4.517 . 0 0 "[ . 1 . 2]" 1
815 1 46 LYS HA 1 47 VAL MG1 . . 4.440 3.952 3.781 4.112 . 0 0 "[ . 1 . 2]" 1
816 1 46 LYS HA 1 56 GLU HA . . 3.630 2.929 2.695 3.240 . 0 0 "[ . 1 . 2]" 1
817 1 46 LYS HA 1 57 CYS H . . 3.290 2.596 2.113 2.879 . 0 0 "[ . 1 . 2]" 1
818 1 46 LYS HB2 1 46 LYS QE . . 4.990 3.559 2.210 4.251 . 0 0 "[ . 1 . 2]" 1
819 1 46 LYS HB2 1 47 VAL H . . 4.250 3.926 3.681 4.177 . 0 0 "[ . 1 . 2]" 1
820 1 46 LYS HB2 1 54 VAL MG1 . . 4.110 3.550 3.001 4.051 . 0 0 "[ . 1 . 2]" 1
821 1 46 LYS HB2 1 82 ASP HB2 . . 4.610 4.182 3.111 4.613 0.003 6 0 "[ . 1 . 2]" 1
822 1 46 LYS HB2 1 82 ASP QB . . 3.980 2.973 2.571 3.464 . 0 0 "[ . 1 . 2]" 1
823 1 46 LYS HB2 1 82 ASP HB3 . . 4.610 3.239 2.600 4.252 . 0 0 "[ . 1 . 2]" 1
824 1 46 LYS HB3 1 47 VAL H . . 3.600 2.787 2.487 2.972 . 0 0 "[ . 1 . 2]" 1
825 1 46 LYS HB3 1 54 VAL MG1 . . 3.250 2.657 1.966 3.109 . 0 0 "[ . 1 . 2]" 1
826 1 46 LYS HB3 1 56 GLU HA . . 4.290 3.557 2.750 4.155 . 0 0 "[ . 1 . 2]" 1
827 1 46 LYS HB3 1 82 ASP QB . . 4.670 4.119 3.537 4.529 . 0 0 "[ . 1 . 2]" 1
828 1 46 LYS QD 1 54 VAL MG1 . . 3.740 2.768 2.004 3.703 . 0 0 "[ . 1 . 2]" 1
829 1 46 LYS QD 1 56 GLU QG . . 4.840 3.360 1.937 4.711 . 0 0 "[ . 1 . 2]" 1
830 1 46 LYS QE 1 54 VAL MG1 . . 3.980 3.111 1.845 3.977 . 0 0 "[ . 1 . 2]" 1
831 1 46 LYS QE 1 56 GLU HA . . 5.000 3.781 2.571 4.873 . 0 0 "[ . 1 . 2]" 1
832 1 46 LYS QE 1 56 GLU QG . . 4.020 3.031 1.843 4.011 . 0 0 "[ . 1 . 2]" 1
833 1 46 LYS QG 1 56 GLU HA . . 3.780 2.568 1.937 3.779 . 0 0 "[ . 1 . 2]" 1
834 1 46 LYS QG 1 56 GLU QG . . 4.570 2.834 2.184 3.761 . 0 0 "[ . 1 . 2]" 1
835 1 47 VAL H 1 47 VAL HB . . 3.480 2.793 2.673 2.952 . 0 0 "[ . 1 . 2]" 1
836 1 47 VAL H 1 47 VAL MG1 . . 3.270 2.042 1.888 2.157 . 0 0 "[ . 1 . 2]" 1
837 1 47 VAL H 1 47 VAL MG2 . . 3.950 3.841 3.805 3.884 . 0 0 "[ . 1 . 2]" 1
838 1 47 VAL H 1 48 HIS H . . 4.970 4.454 4.315 4.555 . 0 0 "[ . 1 . 2]" 1
839 1 47 VAL H 1 48 HIS HD2 . . 5.500 5.099 4.313 5.501 0.001 11 0 "[ . 1 . 2]" 1
840 1 47 VAL H 1 54 VAL MG1 . . 4.680 3.967 3.098 4.566 . 0 0 "[ . 1 . 2]" 1
841 1 47 VAL H 1 55 GLU H . . 3.870 3.665 3.345 3.865 . 0 0 "[ . 1 . 2]" 1
842 1 47 VAL H 1 55 GLU HB2 . . 4.920 4.005 3.772 4.454 . 0 0 "[ . 1 . 2]" 1
843 1 47 VAL H 1 55 GLU HB3 . . 4.860 4.248 3.367 4.671 . 0 0 "[ . 1 . 2]" 1
844 1 47 VAL H 1 56 GLU HA . . 4.110 3.609 3.349 4.007 . 0 0 "[ . 1 . 2]" 1
845 1 47 VAL H 1 57 CYS H . . 4.130 3.891 3.605 4.134 0.004 11 0 "[ . 1 . 2]" 1
846 1 47 VAL HA 1 47 VAL MG1 . . 3.630 3.196 3.187 3.203 . 0 0 "[ . 1 . 2]" 1
847 1 47 VAL HA 1 47 VAL MG2 . . 3.540 2.223 2.137 2.339 . 0 0 "[ . 1 . 2]" 1
848 1 47 VAL HA 1 48 HIS H . . 3.080 2.171 2.141 2.241 . 0 0 "[ . 1 . 2]" 1
849 1 47 VAL HA 1 48 HIS HD2 . . 4.610 3.690 3.145 4.402 . 0 0 "[ . 1 . 2]" 1
850 1 47 VAL HB 1 48 HIS H . . 4.390 4.238 4.053 4.386 . 0 0 "[ . 1 . 2]" 1
851 1 47 VAL HB 1 55 GLU HB2 . . 4.630 4.510 4.385 4.635 0.005 11 0 "[ . 1 . 2]" 1
852 1 47 VAL HB 1 55 GLU HB3 . . 5.010 4.883 3.624 5.009 . 0 0 "[ . 1 . 2]" 1
853 1 47 VAL HB 1 71 PHE QD . . 5.100 3.503 3.029 3.862 . 0 0 "[ . 1 . 2]" 1
854 1 47 VAL MG1 1 48 HIS H . . 4.060 3.828 3.564 4.038 . 0 0 "[ . 1 . 2]" 1
855 1 47 VAL MG1 1 55 GLU H . . 4.030 2.578 1.891 3.005 . 0 0 "[ . 1 . 2]" 1
856 1 47 VAL MG1 1 55 GLU HB2 . . 3.840 1.896 1.833 2.155 . 0 0 "[ . 1 . 2]" 1
857 1 47 VAL MG1 1 55 GLU HB3 . . 3.580 2.468 1.770 2.681 . 0 0 "[ . 1 . 2]" 1
858 1 47 VAL MG1 1 55 GLU QG . . 4.020 3.372 3.089 3.615 . 0 0 "[ . 1 . 2]" 1
859 1 47 VAL MG1 1 71 PHE HB2 . . 4.410 3.479 3.039 3.680 . 0 0 "[ . 1 . 2]" 1
860 1 47 VAL MG1 1 71 PHE HB3 . . 4.790 4.663 4.128 4.783 . 0 0 "[ . 1 . 2]" 1
861 1 47 VAL MG1 1 71 PHE QD . . 3.960 3.636 3.217 3.904 . 0 0 "[ . 1 . 2]" 1
862 1 47 VAL MG2 1 48 HIS H . . 3.710 2.442 2.010 2.934 . 0 0 "[ . 1 . 2]" 1
863 1 47 VAL MG2 1 71 PHE HB2 . . 4.460 4.009 3.605 4.272 . 0 0 "[ . 1 . 2]" 1
864 1 47 VAL MG2 1 71 PHE HB3 . . 5.250 5.006 4.767 5.243 . 0 0 "[ . 1 . 2]" 1
865 1 47 VAL MG2 1 71 PHE QD . . 3.900 2.866 2.332 3.304 . 0 0 "[ . 1 . 2]" 1
866 1 47 VAL MG2 1 79 HIS QB . . 3.690 3.017 2.697 3.207 . 0 0 "[ . 1 . 2]" 1
867 1 47 VAL MG2 1 80 THR H . . 4.710 3.456 3.104 3.751 . 0 0 "[ . 1 . 2]" 1
868 1 48 HIS H 1 48 HIS HB2 . . 3.960 2.404 2.238 2.547 . 0 0 "[ . 1 . 2]" 1
869 1 48 HIS H 1 48 HIS QB . . 3.340 2.372 2.213 2.506 . 0 0 "[ . 1 . 2]" 1
870 1 48 HIS H 1 48 HIS HB3 . . 3.960 3.631 3.511 3.724 . 0 0 "[ . 1 . 2]" 1
871 1 48 HIS H 1 48 HIS HD2 . . 3.660 2.984 2.661 3.349 . 0 0 "[ . 1 . 2]" 1
872 1 48 HIS H 1 49 SER H . . 5.030 4.542 4.486 4.602 . 0 0 "[ . 1 . 2]" 1
873 1 48 HIS H 1 79 HIS QB . . 4.800 4.698 4.478 4.801 0.001 7 0 "[ . 1 . 2]" 1
874 1 48 HIS H 1 80 THR H . . 4.020 3.490 3.072 3.699 . 0 0 "[ . 1 . 2]" 1
875 1 48 HIS H 1 80 THR HB . . 4.440 3.795 3.546 4.086 . 0 0 "[ . 1 . 2]" 1
876 1 48 HIS H 1 82 ASP H . . 5.290 4.183 3.799 4.464 . 0 0 "[ . 1 . 2]" 1
877 1 48 HIS HA 1 49 SER H . . 2.960 2.371 2.222 2.538 . 0 0 "[ . 1 . 2]" 1
878 1 48 HIS HA 1 54 VAL HA . . 3.760 2.824 2.523 3.114 . 0 0 "[ . 1 . 2]" 1
879 1 48 HIS HA 1 54 VAL MG2 . . 4.150 3.340 2.430 4.066 . 0 0 "[ . 1 . 2]" 1
880 1 48 HIS HA 1 55 GLU H . . 4.370 3.656 3.160 4.197 . 0 0 "[ . 1 . 2]" 1
881 1 48 HIS QB 1 49 SER H . . 3.880 2.499 2.146 2.901 . 0 0 "[ . 1 . 2]" 1
882 1 48 HIS QB 1 80 THR H . . 3.760 3.525 3.092 3.737 . 0 0 "[ . 1 . 2]" 1
883 1 48 HIS QB 1 80 THR HB . . 3.130 2.137 1.980 2.340 . 0 0 "[ . 1 . 2]" 1
884 1 48 HIS HB2 1 49 SER H . . 4.580 3.800 3.333 4.120 . 0 0 "[ . 1 . 2]" 1
885 1 48 HIS HB2 1 80 THR HB . . 3.760 2.169 2.002 2.373 . 0 0 "[ . 1 . 2]" 1
886 1 48 HIS HB3 1 49 SER H . . 4.580 2.535 2.173 2.965 . 0 0 "[ . 1 . 2]" 1
887 1 48 HIS HB3 1 80 THR HB . . 3.760 3.250 2.818 3.574 . 0 0 "[ . 1 . 2]" 1
888 1 48 HIS HD2 1 54 VAL MG2 . . 5.500 4.836 4.051 5.300 . 0 0 "[ . 1 . 2]" 1
889 1 48 HIS HD2 1 80 THR HB . . 4.600 4.455 3.669 4.602 0.002 6 0 "[ . 1 . 2]" 1
890 1 48 HIS HD2 1 80 THR MG . . 4.420 4.048 3.777 4.338 . 0 0 "[ . 1 . 2]" 1
891 1 48 HIS HD2 1 81 ILE HA . . 5.020 3.883 3.506 4.435 . 0 0 "[ . 1 . 2]" 1
892 1 48 HIS HD2 1 81 ILE MG . . 5.500 4.884 4.522 5.342 . 0 0 "[ . 1 . 2]" 1
893 1 48 HIS HD2 1 82 ASP H . . 4.670 3.088 2.585 3.557 . 0 0 "[ . 1 . 2]" 1
894 1 48 HIS HE1 1 54 VAL MG2 . . 4.350 2.900 2.392 3.427 . 0 0 "[ . 1 . 2]" 1
895 1 49 SER H 1 49 SER HB2 . . 3.880 3.193 2.624 3.860 . 0 0 "[ . 1 . 2]" 1
896 1 49 SER H 1 49 SER QB . . 3.380 2.756 2.444 3.132 . 0 0 "[ . 1 . 2]" 1
897 1 49 SER H 1 49 SER HB3 . . 3.880 3.431 2.505 3.885 0.005 10 0 "[ . 1 . 2]" 1
898 1 49 SER H 1 50 PRO HD2 . . 4.830 4.816 4.803 4.828 . 0 0 "[ . 1 . 2]" 1
899 1 49 SER H 1 52 GLY H . . 5.100 4.158 3.806 4.853 . 0 0 "[ . 1 . 2]" 1
900 1 49 SER H 1 53 ALA H . . 4.390 3.461 3.239 3.717 . 0 0 "[ . 1 . 2]" 1
901 1 49 SER H 1 53 ALA MB . . 4.600 4.360 3.976 4.601 0.001 1 0 "[ . 1 . 2]" 1
902 1 49 SER H 1 54 VAL HA . . 4.230 4.023 3.315 4.221 . 0 0 "[ . 1 . 2]" 1
903 1 49 SER H 1 54 VAL MG2 . . 5.040 3.974 3.158 4.669 . 0 0 "[ . 1 . 2]" 1
904 1 49 SER HA 1 50 PRO HD2 . . 3.720 2.353 2.259 2.426 . 0 0 "[ . 1 . 2]" 1
905 1 49 SER HA 1 50 PRO HD3 . . 3.490 2.282 2.258 2.308 . 0 0 "[ . 1 . 2]" 1
906 1 49 SER HA 1 50 PRO QG . . 4.660 3.972 3.916 4.017 . 0 0 "[ . 1 . 2]" 1
907 1 49 SER HA 1 79 HIS HA . . 4.560 4.030 3.271 4.447 . 0 0 "[ . 1 . 2]" 1
908 1 49 SER QB 1 50 PRO HD2 . . 3.400 2.211 1.989 3.050 . 0 0 "[ . 1 . 2]" 1
909 1 49 SER QB 1 50 PRO HD3 . . 3.920 3.487 3.291 3.965 0.045 4 0 "[ . 1 . 2]" 1
910 1 49 SER QB 1 51 SER H . . 3.670 2.617 2.368 3.287 . 0 0 "[ . 1 . 2]" 1
911 1 49 SER QB 1 53 ALA H . . 4.010 2.811 2.019 3.896 . 0 0 "[ . 1 . 2]" 1
912 1 49 SER QB 1 53 ALA MB . . 3.850 2.858 2.043 3.724 . 0 0 "[ . 1 . 2]" 1
913 1 49 SER HB2 1 50 PRO HD2 . . 3.880 3.093 2.005 3.743 . 0 0 "[ . 1 . 2]" 1
914 1 49 SER HB2 1 53 ALA H . . 4.790 3.232 2.030 4.636 . 0 0 "[ . 1 . 2]" 1
915 1 49 SER HB2 1 53 ALA MB . . 4.430 3.248 2.103 4.385 . 0 0 "[ . 1 . 2]" 1
916 1 49 SER HB3 1 50 PRO HD2 . . 3.880 2.769 2.009 3.866 . 0 0 "[ . 1 . 2]" 1
917 1 49 SER HB3 1 53 ALA H . . 4.790 3.763 2.496 4.396 . 0 0 "[ . 1 . 2]" 1
918 1 49 SER HB3 1 53 ALA MB . . 4.430 3.563 2.523 4.282 . 0 0 "[ . 1 . 2]" 1
919 1 50 PRO HA 1 52 GLY H . . 4.390 3.830 3.341 4.161 . 0 0 "[ . 1 . 2]" 1
920 1 50 PRO QB 1 51 SER H . . 3.940 3.640 3.439 3.722 . 0 0 "[ . 1 . 2]" 1
921 1 50 PRO HB2 1 51 SER H . . 4.570 3.864 3.616 3.968 . 0 0 "[ . 1 . 2]" 1
922 1 50 PRO HB3 1 51 SER H . . 4.570 4.447 4.304 4.505 . 0 0 "[ . 1 . 2]" 1
923 1 50 PRO HD2 1 51 SER H . . 4.490 2.916 2.715 3.031 . 0 0 "[ . 1 . 2]" 1
924 1 50 PRO HD2 1 75 GLU QB . . 4.410 3.708 2.924 4.358 . 0 0 "[ . 1 . 2]" 1
925 1 50 PRO HD2 1 75 GLU HG2 . . 4.790 3.537 2.614 4.791 0.001 9 0 "[ . 1 . 2]" 1
926 1 50 PRO HD2 1 75 GLU QG . . 4.120 2.967 2.377 3.409 . 0 0 "[ . 1 . 2]" 1
927 1 50 PRO HD2 1 75 GLU HG3 . . 4.790 3.709 2.528 4.715 . 0 0 "[ . 1 . 2]" 1
928 1 50 PRO HD3 1 51 SER H . . 4.690 3.984 3.879 4.045 . 0 0 "[ . 1 . 2]" 1
929 1 50 PRO HD3 1 75 GLU QB . . 5.340 3.874 2.868 4.791 . 0 0 "[ . 1 . 2]" 1
930 1 50 PRO HD3 1 75 GLU QG . . 5.340 3.306 2.556 4.403 . 0 0 "[ . 1 . 2]" 1
931 1 50 PRO HD3 1 79 HIS HA . . 4.840 3.656 3.048 4.069 . 0 0 "[ . 1 . 2]" 1
932 1 51 SER H 1 51 SER QB . . 3.860 2.449 2.254 2.955 . 0 0 "[ . 1 . 2]" 1
933 1 51 SER H 1 52 GLY H . . 3.330 2.371 2.161 2.744 . 0 0 "[ . 1 . 2]" 1
934 1 51 SER H 1 53 ALA H . . 4.620 3.475 3.139 3.821 . 0 0 "[ . 1 . 2]" 1
935 1 51 SER QB 1 52 GLY H . . 4.020 3.360 2.872 4.018 . 0 0 "[ . 1 . 2]" 1
936 1 51 SER QB 1 53 ALA H . . 4.980 3.667 3.260 4.437 . 0 0 "[ . 1 . 2]" 1
937 1 51 SER QB 1 53 ALA MB . . 4.920 3.314 2.713 4.162 . 0 0 "[ . 1 . 2]" 1
938 1 52 GLY H 1 53 ALA H . . 3.180 2.236 1.988 2.717 . 0 0 "[ . 1 . 2]" 1
939 1 52 GLY H 1 53 ALA MB . . 4.420 3.995 3.739 4.389 . 0 0 "[ . 1 . 2]" 1
940 1 53 ALA H 1 53 ALA MB . . 2.980 2.378 2.235 2.504 . 0 0 "[ . 1 . 2]" 1
941 1 53 ALA H 1 54 VAL H . . 4.580 4.477 4.372 4.540 . 0 0 "[ . 1 . 2]" 1
942 1 53 ALA HA 1 54 VAL H . . 2.680 2.243 2.166 2.303 . 0 0 "[ . 1 . 2]" 1
943 1 53 ALA HA 1 54 VAL HA . . 4.950 4.412 4.386 4.448 . 0 0 "[ . 1 . 2]" 1
944 1 53 ALA HA 1 54 VAL HB . . 4.610 4.553 4.437 4.603 . 0 0 "[ . 1 . 2]" 1
945 1 53 ALA HA 1 54 VAL MG2 . . 4.240 3.534 3.376 3.733 . 0 0 "[ . 1 . 2]" 1
946 1 53 ALA MB 1 54 VAL H . . 3.160 2.830 2.605 3.053 . 0 0 "[ . 1 . 2]" 1
947 1 53 ALA MB 1 55 GLU H . . 4.770 4.562 4.337 4.724 . 0 0 "[ . 1 . 2]" 1
948 1 54 VAL H 1 54 VAL HB . . 3.180 2.655 2.557 2.779 . 0 0 "[ . 1 . 2]" 1
949 1 54 VAL H 1 54 VAL MG1 . . 3.970 3.851 3.816 3.891 . 0 0 "[ . 1 . 2]" 1
950 1 54 VAL H 1 54 VAL MG2 . . 3.520 2.829 2.702 3.013 . 0 0 "[ . 1 . 2]" 1
951 1 54 VAL H 1 55 GLU H . . 4.670 4.210 4.040 4.357 . 0 0 "[ . 1 . 2]" 1
952 1 54 VAL HA 1 54 VAL MG1 . . 3.460 2.380 2.315 2.459 . 0 0 "[ . 1 . 2]" 1
953 1 54 VAL HA 1 54 VAL MG2 . . 3.490 2.363 2.277 2.431 . 0 0 "[ . 1 . 2]" 1
954 1 54 VAL HA 1 55 GLU H . . 2.820 2.146 2.141 2.163 . 0 0 "[ . 1 . 2]" 1
955 1 54 VAL HB 1 55 GLU H . . 4.480 4.321 4.226 4.411 . 0 0 "[ . 1 . 2]" 1
956 1 54 VAL MG1 1 55 GLU H . . 3.570 2.759 2.509 3.076 . 0 0 "[ . 1 . 2]" 1
957 1 54 VAL MG1 1 55 GLU HA . . 4.440 3.815 3.601 4.122 . 0 0 "[ . 1 . 2]" 1
958 1 55 GLU H 1 55 GLU HB2 . . 3.710 2.326 2.243 2.431 . 0 0 "[ . 1 . 2]" 1
959 1 55 GLU H 1 55 GLU HB3 . . 3.930 3.506 2.852 3.586 . 0 0 "[ . 1 . 2]" 1
960 1 55 GLU H 1 55 GLU QG . . 4.030 3.544 3.199 4.093 0.063 11 0 "[ . 1 . 2]" 1
961 1 55 GLU H 1 56 GLU H . . 4.740 4.519 4.437 4.573 . 0 0 "[ . 1 . 2]" 1
962 1 55 GLU HA 1 55 GLU QG . . 3.730 2.402 2.178 2.813 . 0 0 "[ . 1 . 2]" 1
963 1 55 GLU HA 1 56 GLU H . . 2.880 2.333 2.181 2.518 . 0 0 "[ . 1 . 2]" 1
964 1 55 GLU HA 1 56 GLU HA . . 4.710 4.375 4.342 4.425 . 0 0 "[ . 1 . 2]" 1
965 1 55 GLU HB2 1 56 GLU H . . 4.290 4.017 3.696 4.291 0.001 6 0 "[ . 1 . 2]" 1
966 1 55 GLU HB3 1 56 GLU H . . 3.190 2.752 2.236 3.185 . 0 0 "[ . 1 . 2]" 1
967 1 55 GLU QG 1 56 GLU H . . 3.850 3.436 1.891 3.845 . 0 0 "[ . 1 . 2]" 1
968 1 56 GLU H 1 56 GLU HB2 . . 3.350 2.618 2.169 3.100 . 0 0 "[ . 1 . 2]" 1
969 1 56 GLU H 1 56 GLU QB . . 2.860 2.353 2.148 2.496 . 0 0 "[ . 1 . 2]" 1
970 1 56 GLU H 1 56 GLU HB3 . . 3.350 2.859 2.501 3.464 0.114 6 0 "[ . 1 . 2]" 1
971 1 56 GLU H 1 56 GLU QG . . 4.240 3.895 3.050 4.211 . 0 0 "[ . 1 . 2]" 1
972 1 56 GLU H 1 57 CYS H . . 4.720 4.475 4.360 4.581 . 0 0 "[ . 1 . 2]" 1
973 1 56 GLU HA 1 56 GLU QG . . 3.820 2.354 2.136 2.927 . 0 0 "[ . 1 . 2]" 1
974 1 56 GLU HA 1 57 CYS H . . 2.740 2.174 2.141 2.247 . 0 0 "[ . 1 . 2]" 1
975 1 56 GLU QB 1 57 CYS H . . 3.740 3.565 3.068 3.754 0.014 11 0 "[ . 1 . 2]" 1
976 1 56 GLU HB2 1 57 CYS H . . 4.420 4.285 3.979 4.426 0.006 11 0 "[ . 1 . 2]" 1
977 1 56 GLU HB3 1 57 CYS H . . 4.420 3.844 3.144 4.171 . 0 0 "[ . 1 . 2]" 1
978 1 56 GLU QG 1 57 CYS H . . 3.680 2.844 2.160 3.613 . 0 0 "[ . 1 . 2]" 1
979 1 57 CYS H 1 57 CYS HB2 . . 3.290 2.538 2.451 2.601 . 0 0 "[ . 1 . 2]" 1
980 1 57 CYS H 1 57 CYS HB3 . . 3.720 3.664 3.629 3.719 . 0 0 "[ . 1 . 2]" 1
981 1 57 CYS H 1 58 HIS H . . 4.920 4.525 4.469 4.591 . 0 0 "[ . 1 . 2]" 1
982 1 57 CYS H 1 69 VAL MG1 . . 4.540 4.381 4.228 4.538 . 0 0 "[ . 1 . 2]" 1
983 1 57 CYS HA 1 58 HIS H . . 3.000 2.193 2.159 2.263 . 0 0 "[ . 1 . 2]" 1
984 1 57 CYS HB2 1 58 HIS H . . 4.120 4.031 3.860 4.121 0.001 17 0 "[ . 1 . 2]" 1
985 1 57 CYS HB2 1 59 VAL QG . . 4.240 3.245 2.906 4.177 . 0 0 "[ . 1 . 2]" 1
986 1 57 CYS HB2 1 69 VAL MG1 . . 3.670 2.366 2.171 2.567 . 0 0 "[ . 1 . 2]" 1
987 1 57 CYS HB2 1 70 ARG H . . 5.470 5.179 4.746 5.435 . 0 0 "[ . 1 . 2]" 1
988 1 57 CYS HB3 1 58 HIS H . . 3.390 3.075 2.808 3.246 . 0 0 "[ . 1 . 2]" 1
989 1 57 CYS HB3 1 59 VAL QG . . 4.910 3.909 3.490 4.885 . 0 0 "[ . 1 . 2]" 1
990 1 57 CYS HB3 1 69 VAL MG1 . . 3.460 2.112 1.842 2.486 . 0 0 "[ . 1 . 2]" 1
991 1 57 CYS HB3 1 70 ARG H . . 4.210 4.015 3.559 4.195 . 0 0 "[ . 1 . 2]" 1
992 1 58 HIS H 1 58 HIS QB . . 2.990 2.231 2.176 2.259 . 0 0 "[ . 1 . 2]" 1
993 1 58 HIS H 1 59 VAL H . . 4.560 4.396 4.275 4.562 0.002 15 0 "[ . 1 . 2]" 1
994 1 58 HIS H 1 59 VAL QG . . 5.260 4.415 4.210 5.020 . 0 0 "[ . 1 . 2]" 1
995 1 58 HIS H 1 69 VAL MG1 . . 4.370 3.933 3.749 4.277 . 0 0 "[ . 1 . 2]" 1
996 1 58 HIS H 1 70 ARG HB2 . . 5.450 5.116 4.691 5.343 . 0 0 "[ . 1 . 2]" 1
997 1 58 HIS H 1 70 ARG HB3 . . 3.950 3.700 3.299 3.897 . 0 0 "[ . 1 . 2]" 1
998 1 58 HIS HA 1 59 VAL H . . 2.920 2.159 2.140 2.184 . 0 0 "[ . 1 . 2]" 1
999 1 58 HIS QB 1 59 VAL H . . 4.010 3.883 3.690 3.971 . 0 0 "[ . 1 . 2]" 1
1000 1 58 HIS QB 1 70 ARG H . . 3.890 2.877 2.626 3.181 . 0 0 "[ . 1 . 2]" 1
1001 1 58 HIS QB 1 70 ARG HB2 . . 3.530 3.327 2.933 3.529 . 0 0 "[ . 1 . 2]" 1
1002 1 58 HIS QB 1 70 ARG HB3 . . 3.440 2.189 1.986 2.633 . 0 0 "[ . 1 . 2]" 1
1003 1 58 HIS QB 1 70 ARG QG . . 5.010 4.179 3.948 4.446 . 0 0 "[ . 1 . 2]" 1
1004 1 58 HIS HE1 1 60 SER QB . . 4.130 3.034 2.169 4.056 . 0 0 "[ . 1 . 2]" 1
1005 1 59 VAL H 1 59 VAL HB . . 3.310 2.678 2.514 3.242 . 0 0 "[ . 1 . 2]" 1
1006 1 59 VAL H 1 59 VAL QG . . 3.330 2.554 1.954 2.887 . 0 0 "[ . 1 . 2]" 1
1007 1 59 VAL H 1 60 SER H . . 4.280 4.252 4.205 4.281 0.001 16 0 "[ . 1 . 2]" 1
1008 1 59 VAL HA 1 59 VAL MG1 . . 3.570 2.397 2.221 3.180 . 0 0 "[ . 1 . 2]" 1
1009 1 59 VAL HA 1 59 VAL QG . . 3.010 2.106 2.038 2.377 . 0 0 "[ . 1 . 2]" 1
1010 1 59 VAL HA 1 59 VAL MG2 . . 3.570 2.373 2.244 2.550 . 0 0 "[ . 1 . 2]" 1
1011 1 59 VAL HA 1 60 SER H . . 2.750 2.148 2.139 2.166 . 0 0 "[ . 1 . 2]" 1
1012 1 59 VAL HA 1 69 VAL HA . . 3.740 2.536 2.142 2.762 . 0 0 "[ . 1 . 2]" 1
1013 1 59 VAL HA 1 69 VAL MG1 . . 4.820 3.458 3.076 3.700 . 0 0 "[ . 1 . 2]" 1
1014 1 59 VAL HA 1 69 VAL MG2 . . 4.380 2.875 2.540 3.127 . 0 0 "[ . 1 . 2]" 1
1015 1 59 VAL HA 1 70 ARG H . . 4.140 3.767 3.473 4.010 . 0 0 "[ . 1 . 2]" 1
1016 1 59 VAL HB 1 60 SER H . . 4.390 4.310 4.184 4.381 . 0 0 "[ . 1 . 2]" 1
1017 1 59 VAL QG 1 60 SER H . . 3.250 2.839 2.463 3.056 . 0 0 "[ . 1 . 2]" 1
1018 1 59 VAL QG 1 67 TYR HB3 . . 3.750 3.248 2.806 3.613 . 0 0 "[ . 1 . 2]" 1
1019 1 59 VAL QG 1 67 TYR QD . . 3.280 2.764 2.437 3.064 . 0 0 "[ . 1 . 2]" 1
1020 1 59 VAL QG 1 69 VAL HA . . 4.370 3.068 2.675 3.625 . 0 0 "[ . 1 . 2]" 1
1021 1 59 VAL QG 1 69 VAL MG1 . . 3.430 2.294 1.937 3.316 . 0 0 "[ . 1 . 2]" 1
1022 1 59 VAL QG 1 69 VAL MG2 . . 3.030 2.107 1.866 2.419 . 0 0 "[ . 1 . 2]" 1
1023 1 59 VAL MG1 1 69 VAL HA . . 5.090 3.903 3.608 4.521 . 0 0 "[ . 1 . 2]" 1
1024 1 59 VAL MG1 1 69 VAL MG2 . . 3.500 2.576 2.068 3.498 . 0 0 "[ . 1 . 2]" 1
1025 1 59 VAL MG1 1 70 ARG H . . 5.500 5.385 5.138 5.500 . 0 0 "[ . 1 . 2]" 1
1026 1 59 VAL MG2 1 69 VAL HA . . 5.090 3.227 2.757 3.841 . 0 0 "[ . 1 . 2]" 1
1027 1 59 VAL MG2 1 69 VAL MG2 . . 3.500 2.309 1.959 3.081 . 0 0 "[ . 1 . 2]" 1
1028 1 59 VAL MG2 1 70 ARG H . . 5.500 4.344 3.762 5.340 . 0 0 "[ . 1 . 2]" 1
1029 1 60 SER H 1 60 SER QB . . 3.660 2.541 2.397 2.965 . 0 0 "[ . 1 . 2]" 1
1030 1 60 SER H 1 67 TYR HB3 . . 5.210 4.900 4.602 5.196 . 0 0 "[ . 1 . 2]" 1
1031 1 60 SER H 1 67 TYR QD . . 5.190 4.837 4.559 5.184 . 0 0 "[ . 1 . 2]" 1
1032 1 60 SER H 1 68 ALA H . . 3.620 3.523 3.408 3.615 . 0 0 "[ . 1 . 2]" 1
1033 1 60 SER H 1 68 ALA MB . . 4.170 3.492 3.066 3.762 . 0 0 "[ . 1 . 2]" 1
1034 1 60 SER H 1 69 VAL HA . . 4.160 3.667 3.084 3.981 . 0 0 "[ . 1 . 2]" 1
1035 1 60 SER H 1 69 VAL MG2 . . 4.470 3.998 3.638 4.456 . 0 0 "[ . 1 . 2]" 1
1036 1 60 SER HA 1 61 GLU H . . 3.080 2.203 2.146 2.462 . 0 0 "[ . 1 . 2]" 1
1037 1 60 SER HA 1 67 TYR QD . . 5.500 5.263 5.034 5.505 0.005 16 0 "[ . 1 . 2]" 1
1038 1 60 SER QB 1 61 GLU H . . 3.630 3.435 2.941 3.629 . 0 0 "[ . 1 . 2]" 1
1039 1 60 SER QB 1 62 LEU MD2 . . 4.760 2.413 1.981 3.151 . 0 0 "[ . 1 . 2]" 1
1040 1 60 SER QB 1 68 ALA MB . . 4.120 3.381 2.111 4.099 . 0 0 "[ . 1 . 2]" 1
1041 1 61 GLU H 1 61 GLU HB2 . . 3.520 2.836 2.630 3.181 . 0 0 "[ . 1 . 2]" 1
1042 1 61 GLU H 1 61 GLU HB3 . . 3.520 2.472 2.336 2.774 . 0 0 "[ . 1 . 2]" 1
1043 1 61 GLU HA 1 61 GLU HG2 . . 3.980 3.142 3.022 3.213 . 0 0 "[ . 1 . 2]" 1
1044 1 61 GLU HA 1 61 GLU QG . . 3.350 2.497 2.300 2.629 . 0 0 "[ . 1 . 2]" 1
1045 1 61 GLU HA 1 61 GLU HG3 . . 3.980 2.627 2.363 2.863 . 0 0 "[ . 1 . 2]" 1
1046 1 61 GLU HA 1 62 LEU H . . 3.000 2.182 2.139 2.242 . 0 0 "[ . 1 . 2]" 1
1047 1 61 GLU HA 1 63 GLU H . . 3.930 3.790 3.598 3.931 0.001 3 0 "[ . 1 . 2]" 1
1048 1 61 GLU HA 1 67 TYR HA . . 3.540 3.239 2.723 3.481 . 0 0 "[ . 1 . 2]" 1
1049 1 61 GLU HA 1 67 TYR QD . . 4.330 3.129 2.806 3.490 . 0 0 "[ . 1 . 2]" 1
1050 1 61 GLU HA 1 67 TYR QE . . 4.580 3.630 3.302 4.096 . 0 0 "[ . 1 . 2]" 1
1051 1 61 GLU HA 1 68 ALA H . . 4.120 3.835 3.282 4.122 0.002 16 0 "[ . 1 . 2]" 1
1052 1 61 GLU QB 1 67 TYR QD . . 4.810 3.423 2.719 4.083 . 0 0 "[ . 1 . 2]" 1
1053 1 61 GLU QB 1 67 TYR QE . . 3.620 2.460 2.012 3.049 . 0 0 "[ . 1 . 2]" 1
1054 1 61 GLU HB2 1 62 LEU H . . 4.670 4.448 4.343 4.578 . 0 0 "[ . 1 . 2]" 1
1055 1 61 GLU HB3 1 62 LEU H . . 4.670 4.440 4.287 4.517 . 0 0 "[ . 1 . 2]" 1
1056 1 61 GLU QG 1 62 LEU H . . 3.660 3.367 3.014 3.591 . 0 0 "[ . 1 . 2]" 1
1057 1 61 GLU QG 1 63 GLU H . . 3.620 3.515 3.223 3.610 . 0 0 "[ . 1 . 2]" 1
1058 1 61 GLU QG 1 64 PRO HA . . 4.650 3.772 3.577 3.986 . 0 0 "[ . 1 . 2]" 1
1059 1 61 GLU QG 1 67 TYR QE . . 3.880 2.908 2.587 3.188 . 0 0 "[ . 1 . 2]" 1
1060 1 61 GLU HG2 1 62 LEU H . . 4.320 3.754 3.415 4.107 . 0 0 "[ . 1 . 2]" 1
1061 1 61 GLU HG2 1 63 GLU H . . 4.210 3.917 3.463 4.102 . 0 0 "[ . 1 . 2]" 1
1062 1 61 GLU HG2 1 67 TYR QE . . 4.650 4.317 4.021 4.595 . 0 0 "[ . 1 . 2]" 1
1063 1 61 GLU HG3 1 62 LEU H . . 4.320 3.821 3.352 4.128 . 0 0 "[ . 1 . 2]" 1
1064 1 61 GLU HG3 1 63 GLU H . . 4.210 3.988 3.833 4.198 . 0 0 "[ . 1 . 2]" 1
1065 1 61 GLU HG3 1 67 TYR QE . . 4.650 2.956 2.619 3.253 . 0 0 "[ . 1 . 2]" 1
1066 1 62 LEU H 1 62 LEU HB2 . . 3.990 2.747 2.665 2.846 . 0 0 "[ . 1 . 2]" 1
1067 1 62 LEU H 1 62 LEU QB . . 3.270 2.671 2.606 2.744 . 0 0 "[ . 1 . 2]" 1
1068 1 62 LEU H 1 62 LEU HB3 . . 3.990 3.655 3.600 3.736 . 0 0 "[ . 1 . 2]" 1
1069 1 62 LEU H 1 62 LEU MD1 . . 4.370 3.638 3.381 3.908 . 0 0 "[ . 1 . 2]" 1
1070 1 62 LEU H 1 62 LEU MD2 . . 4.380 3.147 2.744 3.399 . 0 0 "[ . 1 . 2]" 1
1071 1 62 LEU H 1 62 LEU HG . . 3.230 2.132 1.916 2.536 . 0 0 "[ . 1 . 2]" 1
1072 1 62 LEU H 1 63 GLU H . . 2.920 2.295 2.123 2.527 . 0 0 "[ . 1 . 2]" 1
1073 1 62 LEU H 1 67 TYR HA . . 3.360 3.006 2.744 3.239 . 0 0 "[ . 1 . 2]" 1
1074 1 62 LEU H 1 67 TYR QD . . 4.820 4.572 4.304 4.823 0.003 13 0 "[ . 1 . 2]" 1
1075 1 62 LEU H 1 68 ALA H . . 4.130 3.878 3.584 4.054 . 0 0 "[ . 1 . 2]" 1
1076 1 62 LEU H 1 68 ALA MB . . 4.480 4.254 3.892 4.478 . 0 0 "[ . 1 . 2]" 1
1077 1 62 LEU HA 1 62 LEU MD1 . . 4.150 3.950 3.893 3.999 . 0 0 "[ . 1 . 2]" 1
1078 1 62 LEU HA 1 62 LEU MD2 . . 2.990 2.152 1.977 2.342 . 0 0 "[ . 1 . 2]" 1
1079 1 62 LEU HA 1 62 LEU HG . . 3.950 3.362 3.223 3.537 . 0 0 "[ . 1 . 2]" 1
1080 1 62 LEU QB 1 62 LEU MD2 . . 3.070 2.295 2.208 2.396 . 0 0 "[ . 1 . 2]" 1
1081 1 62 LEU QB 1 63 GLU H . . 3.180 2.524 2.377 2.706 . 0 0 "[ . 1 . 2]" 1
1082 1 62 LEU QB 1 63 GLU QG . . 3.700 2.234 2.084 2.518 . 0 0 "[ . 1 . 2]" 1
1083 1 62 LEU HB2 1 62 LEU MD1 . . 3.320 2.291 2.175 2.433 . 0 0 "[ . 1 . 2]" 1
1084 1 62 LEU HB2 1 63 GLU H . . 4.030 2.559 2.405 2.751 . 0 0 "[ . 1 . 2]" 1
1085 1 62 LEU HB3 1 62 LEU MD1 . . 3.320 2.409 2.256 2.536 . 0 0 "[ . 1 . 2]" 1
1086 1 62 LEU HB3 1 63 GLU H . . 4.030 3.858 3.724 4.026 . 0 0 "[ . 1 . 2]" 1
1087 1 62 LEU MD1 1 63 GLU H . . 4.380 4.247 3.950 4.382 0.002 16 0 "[ . 1 . 2]" 1
1088 1 62 LEU MD1 1 67 TYR HA . . 5.010 4.323 4.026 4.591 . 0 0 "[ . 1 . 2]" 1
1089 1 62 LEU MD1 1 68 ALA H . . 4.440 4.060 3.825 4.301 . 0 0 "[ . 1 . 2]" 1
1090 1 62 LEU MD1 1 68 ALA HA . . 4.730 4.426 4.252 4.690 . 0 0 "[ . 1 . 2]" 1
1091 1 62 LEU MD1 1 68 ALA MB . . 3.030 2.180 1.943 2.403 . 0 0 "[ . 1 . 2]" 1
1092 1 62 LEU MD2 1 63 GLU H . . 4.920 4.493 4.273 4.607 . 0 0 "[ . 1 . 2]" 1
1093 1 62 LEU MD2 1 68 ALA H . . 4.790 4.557 3.984 4.785 . 0 0 "[ . 1 . 2]" 1
1094 1 62 LEU MD2 1 68 ALA MB . . 3.660 3.319 2.954 3.531 . 0 0 "[ . 1 . 2]" 1
1095 1 62 LEU HG 1 63 GLU H . . 4.570 3.784 3.595 3.957 . 0 0 "[ . 1 . 2]" 1
1096 1 62 LEU HG 1 67 TYR HA . . 4.490 3.749 3.528 4.061 . 0 0 "[ . 1 . 2]" 1
1097 1 62 LEU HG 1 68 ALA H . . 3.810 3.577 3.357 3.752 . 0 0 "[ . 1 . 2]" 1
1098 1 62 LEU HG 1 68 ALA MB . . 3.370 2.847 2.456 3.143 . 0 0 "[ . 1 . 2]" 1
1099 1 63 GLU H 1 63 GLU HB2 . . 4.160 3.026 2.692 3.813 . 0 0 "[ . 1 . 2]" 1
1100 1 63 GLU H 1 63 GLU QB . . 3.570 2.886 2.637 3.202 . 0 0 "[ . 1 . 2]" 1
1101 1 63 GLU H 1 63 GLU HB3 . . 4.160 3.803 3.441 3.920 . 0 0 "[ . 1 . 2]" 1
1102 1 63 GLU H 1 63 GLU HG2 . . 4.150 2.674 2.056 4.129 . 0 0 "[ . 1 . 2]" 1
1103 1 63 GLU H 1 63 GLU QG . . 3.600 2.418 2.034 2.701 . 0 0 "[ . 1 . 2]" 1
1104 1 63 GLU H 1 63 GLU HG3 . . 4.150 3.484 2.549 4.074 . 0 0 "[ . 1 . 2]" 1
1105 1 63 GLU H 1 66 LYS H . . 3.910 3.758 3.613 3.899 . 0 0 "[ . 1 . 2]" 1
1106 1 63 GLU H 1 66 LYS HB2 . . 5.320 5.177 4.902 5.329 0.009 13 0 "[ . 1 . 2]" 1
1107 1 63 GLU H 1 66 LYS QB . . 4.670 3.629 3.453 3.762 . 0 0 "[ . 1 . 2]" 1
1108 1 63 GLU H 1 66 LYS HB3 . . 5.320 3.707 3.519 3.858 . 0 0 "[ . 1 . 2]" 1
1109 1 63 GLU H 1 67 TYR HA . . 4.510 3.600 3.417 3.938 . 0 0 "[ . 1 . 2]" 1
1110 1 63 GLU HA 1 64 PRO HD2 . . 3.530 2.371 2.287 2.437 . 0 0 "[ . 1 . 2]" 1
1111 1 63 GLU HA 1 64 PRO HD3 . . 3.160 2.288 2.264 2.313 . 0 0 "[ . 1 . 2]" 1
1112 1 63 GLU HA 1 64 PRO HG2 . . 4.810 4.489 4.420 4.543 . 0 0 "[ . 1 . 2]" 1
1113 1 63 GLU HA 1 64 PRO QG . . 4.210 3.983 3.932 4.025 . 0 0 "[ . 1 . 2]" 1
1114 1 63 GLU HA 1 64 PRO HG3 . . 4.810 4.454 4.408 4.493 . 0 0 "[ . 1 . 2]" 1
1115 1 63 GLU QB 1 64 PRO HD3 . . 3.490 3.337 3.254 3.475 . 0 0 "[ . 1 . 2]" 1
1116 1 63 GLU QB 1 65 ASP H . . 4.240 2.467 2.398 2.651 . 0 0 "[ . 1 . 2]" 1
1117 1 63 GLU QB 1 66 LYS H . . 4.180 2.233 1.910 3.592 . 0 0 "[ . 1 . 2]" 1
1118 1 63 GLU HB2 1 64 PRO HD2 . . 3.450 3.180 1.993 3.495 0.045 2 0 "[ . 1 . 2]" 1
1119 1 63 GLU HB2 1 66 LYS H . . 4.940 2.260 1.920 3.713 . 0 0 "[ . 1 . 2]" 1
1120 1 63 GLU HB3 1 64 PRO HD2 . . 3.450 2.168 1.987 3.076 . 0 0 "[ . 1 . 2]" 1
1121 1 63 GLU HB3 1 66 LYS H . . 4.940 3.600 3.237 4.784 . 0 0 "[ . 1 . 2]" 1
1122 1 63 GLU QG 1 66 LYS H . . 4.460 3.730 2.178 4.409 . 0 0 "[ . 1 . 2]" 1
1123 1 63 GLU QG 1 66 LYS QB . . 3.460 2.264 1.845 3.107 . 0 0 "[ . 1 . 2]" 1
1124 1 63 GLU HG2 1 66 LYS H . . 5.100 4.434 3.332 5.105 0.005 2 0 "[ . 1 . 2]" 1
1125 1 63 GLU HG2 1 66 LYS HB2 . . 4.770 4.385 3.869 4.754 . 0 0 "[ . 1 . 2]" 1
1126 1 63 GLU HG2 1 66 LYS HB3 . . 4.770 3.013 2.222 3.987 . 0 0 "[ . 1 . 2]" 1
1127 1 63 GLU HG2 1 66 LYS QD . . 4.270 3.926 3.413 4.355 0.085 2 0 "[ . 1 . 2]" 1
1128 1 63 GLU HG3 1 66 LYS H . . 5.100 4.094 2.188 4.821 . 0 0 "[ . 1 . 2]" 1
1129 1 63 GLU HG3 1 66 LYS HB2 . . 4.770 3.504 2.993 4.578 . 0 0 "[ . 1 . 2]" 1
1130 1 63 GLU HG3 1 66 LYS HB3 . . 4.770 2.442 1.996 3.409 . 0 0 "[ . 1 . 2]" 1
1131 1 63 GLU HG3 1 66 LYS QD . . 4.270 3.212 2.515 4.238 . 0 0 "[ . 1 . 2]" 1
1132 1 64 PRO HA 1 65 ASP H . . 3.550 3.400 3.294 3.498 . 0 0 "[ . 1 . 2]" 1
1133 1 64 PRO HA 1 65 ASP HA . . 4.650 4.521 4.499 4.549 . 0 0 "[ . 1 . 2]" 1
1134 1 64 PRO HA 1 66 LYS H . . 4.230 4.144 3.897 4.253 0.023 16 0 "[ . 1 . 2]" 1
1135 1 64 PRO QB 1 65 ASP H . . 3.930 3.548 3.304 3.724 . 0 0 "[ . 1 . 2]" 1
1136 1 64 PRO HB2 1 65 ASP H . . 4.470 3.750 3.453 3.970 . 0 0 "[ . 1 . 2]" 1
1137 1 64 PRO HB3 1 65 ASP H . . 4.470 4.381 4.210 4.506 0.036 13 0 "[ . 1 . 2]" 1
1138 1 64 PRO QG 1 65 ASP H . . 4.530 2.924 2.499 3.282 . 0 0 "[ . 1 . 2]" 1
1139 1 64 PRO QG 1 66 LYS H . . 5.350 4.698 4.418 5.056 . 0 0 "[ . 1 . 2]" 1
1140 1 65 ASP H 1 65 ASP QB . . 3.700 2.711 2.409 3.076 . 0 0 "[ . 1 . 2]" 1
1141 1 65 ASP H 1 66 LYS H . . 3.350 1.943 1.826 2.100 . 0 0 "[ . 1 . 2]" 1
1142 1 65 ASP H 1 66 LYS QB . . 4.860 3.762 3.603 3.900 . 0 0 "[ . 1 . 2]" 1
1143 1 65 ASP H 1 67 TYR QE . . 5.320 4.614 4.378 5.049 . 0 0 "[ . 1 . 2]" 1
1144 1 65 ASP HA 1 67 TYR QE . . 4.160 4.056 3.728 4.155 . 0 0 "[ . 1 . 2]" 1
1145 1 65 ASP QB 1 66 LYS H . . 4.110 3.574 3.310 3.898 . 0 0 "[ . 1 . 2]" 1
1146 1 65 ASP HB2 1 66 LYS H . . 4.710 3.920 3.481 4.535 . 0 0 "[ . 1 . 2]" 1
1147 1 65 ASP HB3 1 66 LYS H . . 4.710 4.228 3.697 4.483 . 0 0 "[ . 1 . 2]" 1
1148 1 66 LYS H 1 66 LYS HB2 . . 3.430 3.062 2.875 3.400 . 0 0 "[ . 1 . 2]" 1
1149 1 66 LYS H 1 66 LYS HB3 . . 3.430 3.008 2.873 3.130 . 0 0 "[ . 1 . 2]" 1
1150 1 66 LYS H 1 66 LYS HG2 . . 4.850 4.662 4.529 4.761 . 0 0 "[ . 1 . 2]" 1
1151 1 66 LYS H 1 66 LYS HG3 . . 4.850 4.743 4.650 4.910 0.060 16 0 "[ . 1 . 2]" 1
1152 1 66 LYS H 1 67 TYR H . . 4.630 4.362 4.275 4.444 . 0 0 "[ . 1 . 2]" 1
1153 1 66 LYS H 1 67 TYR QD . . 4.750 3.469 3.271 3.701 . 0 0 "[ . 1 . 2]" 1
1154 1 66 LYS H 1 67 TYR QE . . 5.230 3.816 3.535 4.103 . 0 0 "[ . 1 . 2]" 1
1155 1 66 LYS HA 1 66 LYS HG2 . . 4.030 2.801 2.221 3.229 . 0 0 "[ . 1 . 2]" 1
1156 1 66 LYS HA 1 66 LYS QG . . 3.480 2.324 2.197 2.453 . 0 0 "[ . 1 . 2]" 1
1157 1 66 LYS HA 1 66 LYS HG3 . . 4.030 2.564 2.378 3.482 . 0 0 "[ . 1 . 2]" 1
1158 1 66 LYS HA 1 67 TYR H . . 2.880 2.256 2.164 2.328 . 0 0 "[ . 1 . 2]" 1
1159 1 66 LYS HA 1 67 TYR QD . . 4.530 3.052 2.787 3.268 . 0 0 "[ . 1 . 2]" 1
1160 1 66 LYS HA 1 67 TYR QE . . 5.290 4.819 4.364 5.154 . 0 0 "[ . 1 . 2]" 1
1161 1 66 LYS QB 1 67 TYR H . . 4.100 3.441 3.281 3.622 . 0 0 "[ . 1 . 2]" 1
1162 1 66 LYS HB2 1 67 TYR H . . 4.910 4.149 3.902 4.369 . 0 0 "[ . 1 . 2]" 1
1163 1 66 LYS HB3 1 67 TYR H . . 4.910 3.679 3.457 3.867 . 0 0 "[ . 1 . 2]" 1
1164 1 66 LYS QE 1 66 LYS QG . . 3.250 2.138 2.054 2.304 . 0 0 "[ . 1 . 2]" 1
1165 1 66 LYS QE 1 67 TYR H . . 4.270 4.095 3.426 4.276 0.006 13 0 "[ . 1 . 2]" 1
1166 1 66 LYS QG 1 67 TYR H . . 3.510 2.306 1.995 2.585 . 0 0 "[ . 1 . 2]" 1
1167 1 66 LYS HG2 1 67 TYR H . . 4.060 2.392 2.011 2.619 . 0 0 "[ . 1 . 2]" 1
1168 1 66 LYS HG3 1 67 TYR H . . 4.060 3.189 2.352 4.061 0.001 16 0 "[ . 1 . 2]" 1
1169 1 67 TYR H 1 67 TYR HB2 . . 3.480 2.656 2.489 2.759 . 0 0 "[ . 1 . 2]" 1
1170 1 67 TYR H 1 67 TYR QD . . 3.830 2.961 2.703 3.178 . 0 0 "[ . 1 . 2]" 1
1171 1 67 TYR H 1 67 TYR QE . . 5.500 5.217 5.004 5.384 . 0 0 "[ . 1 . 2]" 1
1172 1 67 TYR HA 1 67 TYR QD . . 4.320 3.084 2.993 3.144 . 0 0 "[ . 1 . 2]" 1
1173 1 67 TYR HA 1 67 TYR QE . . 4.860 4.605 4.550 4.677 . 0 0 "[ . 1 . 2]" 1
1174 1 67 TYR HA 1 68 ALA H . . 2.820 2.368 2.268 2.481 . 0 0 "[ . 1 . 2]" 1
1175 1 67 TYR HA 1 68 ALA MB . . 4.020 3.830 3.758 3.907 . 0 0 "[ . 1 . 2]" 1
1176 1 67 TYR HB2 1 68 ALA H . . 4.020 3.833 3.658 3.974 . 0 0 "[ . 1 . 2]" 1
1177 1 67 TYR HB3 1 68 ALA H . . 3.570 2.528 2.265 2.789 . 0 0 "[ . 1 . 2]" 1
1178 1 67 TYR QD 1 68 ALA H . . 4.480 3.703 3.454 3.985 . 0 0 "[ . 1 . 2]" 1
1179 1 68 ALA H 1 68 ALA MB . . 3.090 2.495 2.380 2.593 . 0 0 "[ . 1 . 2]" 1
1180 1 68 ALA H 1 69 VAL H . . 4.810 4.358 3.973 4.512 . 0 0 "[ . 1 . 2]" 1
1181 1 68 ALA HA 1 69 VAL H . . 2.960 2.203 2.142 2.277 . 0 0 "[ . 1 . 2]" 1
1182 1 68 ALA HA 1 69 VAL MG2 . . 4.440 3.555 3.240 3.908 . 0 0 "[ . 1 . 2]" 1
1183 1 68 ALA MB 1 69 VAL H . . 3.610 2.971 2.676 3.498 . 0 0 "[ . 1 . 2]" 1
1184 1 69 VAL H 1 69 VAL HB . . 3.760 2.766 2.558 2.918 . 0 0 "[ . 1 . 2]" 1
1185 1 69 VAL H 1 69 VAL MG1 . . 4.490 3.901 3.814 3.968 . 0 0 "[ . 1 . 2]" 1
1186 1 69 VAL H 1 69 VAL MG2 . . 3.460 2.828 2.509 3.057 . 0 0 "[ . 1 . 2]" 1
1187 1 69 VAL H 1 70 ARG H . . 4.770 4.108 4.001 4.280 . 0 0 "[ . 1 . 2]" 1
1188 1 69 VAL HA 1 69 VAL MG1 . . 3.530 2.352 2.179 2.446 . 0 0 "[ . 1 . 2]" 1
1189 1 69 VAL HA 1 69 VAL MG2 . . 3.540 2.363 2.247 2.490 . 0 0 "[ . 1 . 2]" 1
1190 1 69 VAL HA 1 70 ARG H . . 2.850 2.152 2.140 2.170 . 0 0 "[ . 1 . 2]" 1
1191 1 69 VAL HA 1 70 ARG HA . . 4.930 4.405 4.390 4.418 . 0 0 "[ . 1 . 2]" 1
1192 1 69 VAL HB 1 70 ARG H . . 4.940 4.311 4.153 4.396 . 0 0 "[ . 1 . 2]" 1
1193 1 69 VAL MG1 1 70 ARG H . . 3.450 2.933 2.546 3.091 . 0 0 "[ . 1 . 2]" 1
1194 1 69 VAL MG1 1 71 PHE QD . . 4.070 3.311 2.945 3.697 . 0 0 "[ . 1 . 2]" 1
1195 1 69 VAL MG1 1 71 PHE QE . . 5.010 4.773 4.445 5.014 0.004 2 0 "[ . 1 . 2]" 1
1196 1 69 VAL MG2 1 70 ARG H . . 4.480 4.164 4.021 4.288 . 0 0 "[ . 1 . 2]" 1
1197 1 69 VAL MG2 1 83 VAL MG2 . . 5.170 4.560 4.128 4.771 . 0 0 "[ . 1 . 2]" 1
1198 1 70 ARG H 1 70 ARG HB2 . . 3.690 2.607 2.451 2.797 . 0 0 "[ . 1 . 2]" 1
1199 1 70 ARG H 1 70 ARG HB3 . . 3.640 2.722 2.615 2.841 . 0 0 "[ . 1 . 2]" 1
1200 1 70 ARG H 1 70 ARG HG2 . . 4.700 4.503 4.469 4.552 . 0 0 "[ . 1 . 2]" 1
1201 1 70 ARG H 1 70 ARG HG3 . . 4.700 4.571 4.410 4.707 0.007 13 0 "[ . 1 . 2]" 1
1202 1 70 ARG HA 1 70 ARG QD . . 4.660 3.929 3.279 4.180 . 0 0 "[ . 1 . 2]" 1
1203 1 70 ARG HA 1 70 ARG HG2 . . 4.080 2.507 2.282 2.686 . 0 0 "[ . 1 . 2]" 1
1204 1 70 ARG HA 1 70 ARG HG3 . . 4.080 2.920 2.668 3.538 . 0 0 "[ . 1 . 2]" 1
1205 1 70 ARG HA 1 71 PHE H . . 2.780 2.196 2.169 2.231 . 0 0 "[ . 1 . 2]" 1
1206 1 70 ARG HA 1 71 PHE QD . . 4.460 3.423 3.000 3.930 . 0 0 "[ . 1 . 2]" 1
1207 1 70 ARG HB2 1 70 ARG QD . . 3.470 3.026 2.648 3.443 . 0 0 "[ . 1 . 2]" 1
1208 1 70 ARG HB2 1 71 PHE H . . 4.340 4.242 4.136 4.337 . 0 0 "[ . 1 . 2]" 1
1209 1 70 ARG HB3 1 70 ARG QD . . 3.500 2.361 2.056 2.886 . 0 0 "[ . 1 . 2]" 1
1210 1 70 ARG HB3 1 71 PHE H . . 4.020 3.858 3.751 3.976 . 0 0 "[ . 1 . 2]" 1
1211 1 70 ARG QD 1 71 PHE H . . 4.560 3.901 2.388 4.494 . 0 0 "[ . 1 . 2]" 1
1212 1 70 ARG QD 1 72 ILE MD . . 5.060 4.764 4.109 5.063 0.003 3 0 "[ . 1 . 2]" 1
1213 1 70 ARG QG 1 71 PHE H . . 3.520 2.406 2.271 2.513 . 0 0 "[ . 1 . 2]" 1
1214 1 70 ARG HG2 1 71 PHE H . . 4.080 2.435 2.297 2.544 . 0 0 "[ . 1 . 2]" 1
1215 1 70 ARG HG3 1 71 PHE H . . 4.080 3.769 3.487 4.092 0.012 13 0 "[ . 1 . 2]" 1
1216 1 71 PHE H 1 71 PHE QD . . 3.560 2.753 2.279 3.228 . 0 0 "[ . 1 . 2]" 1
1217 1 71 PHE HA 1 71 PHE QD . . 4.150 3.702 3.647 3.722 . 0 0 "[ . 1 . 2]" 1
1218 1 71 PHE HA 1 72 ILE H . . 2.900 2.320 2.237 2.457 . 0 0 "[ . 1 . 2]" 1
1219 1 71 PHE HB2 1 72 ILE H . . 3.290 2.735 2.432 3.004 . 0 0 "[ . 1 . 2]" 1
1220 1 71 PHE HB3 1 72 ILE H . . 4.290 4.031 3.847 4.203 . 0 0 "[ . 1 . 2]" 1
1221 1 71 PHE QD 1 72 ILE H . . 3.860 3.290 2.642 3.495 . 0 0 "[ . 1 . 2]" 1
1222 1 71 PHE QD 1 73 PRO HA . . 4.350 3.213 3.106 3.346 . 0 0 "[ . 1 . 2]" 1
1223 1 71 PHE QD 1 73 PRO HB3 . . 4.620 3.885 3.655 4.160 . 0 0 "[ . 1 . 2]" 1
1224 1 71 PHE QD 1 73 PRO HD2 . . 4.890 4.685 4.410 4.816 . 0 0 "[ . 1 . 2]" 1
1225 1 71 PHE QD 1 73 PRO HD3 . . 4.240 3.432 3.176 3.603 . 0 0 "[ . 1 . 2]" 1
1226 1 71 PHE QD 1 73 PRO HG3 . . 5.110 4.923 4.657 5.077 . 0 0 "[ . 1 . 2]" 1
1227 1 71 PHE QE 1 73 PRO HA . . 4.710 2.670 2.180 3.185 . 0 0 "[ . 1 . 2]" 1
1228 1 71 PHE QE 1 73 PRO HB2 . . 4.710 3.738 3.546 3.901 . 0 0 "[ . 1 . 2]" 1
1229 1 71 PHE QE 1 73 PRO HB3 . . 4.290 2.105 1.993 2.232 . 0 0 "[ . 1 . 2]" 1
1230 1 71 PHE QE 1 73 PRO HD3 . . 4.810 3.377 2.876 3.569 . 0 0 "[ . 1 . 2]" 1
1231 1 71 PHE QE 1 73 PRO HG2 . . 4.980 4.736 4.482 4.887 . 0 0 "[ . 1 . 2]" 1
1232 1 71 PHE QE 1 73 PRO HG3 . . 4.150 3.799 3.576 3.990 . 0 0 "[ . 1 . 2]" 1
1233 1 71 PHE QE 1 81 ILE MD . . 3.890 3.691 3.430 3.884 . 0 0 "[ . 1 . 2]" 1
1234 1 71 PHE HZ 1 73 PRO HG3 . . 5.160 4.012 3.585 4.380 . 0 0 "[ . 1 . 2]" 1
1235 1 71 PHE HZ 1 81 ILE MD . . 3.920 3.425 3.140 3.722 . 0 0 "[ . 1 . 2]" 1
1236 1 72 ILE H 1 72 ILE HB . . 3.270 2.539 2.434 2.759 . 0 0 "[ . 1 . 2]" 1
1237 1 72 ILE H 1 72 ILE MD . . 4.190 3.691 3.451 4.072 . 0 0 "[ . 1 . 2]" 1
1238 1 72 ILE H 1 72 ILE HG12 . . 4.210 3.904 3.686 4.084 . 0 0 "[ . 1 . 2]" 1
1239 1 72 ILE H 1 72 ILE QG . . 3.460 2.580 2.300 2.742 . 0 0 "[ . 1 . 2]" 1
1240 1 72 ILE H 1 72 ILE HG13 . . 4.210 2.618 2.322 2.807 . 0 0 "[ . 1 . 2]" 1
1241 1 72 ILE H 1 72 ILE MG . . 3.910 3.802 3.755 3.879 . 0 0 "[ . 1 . 2]" 1
1242 1 72 ILE H 1 73 PRO HD2 . . 4.910 4.606 4.477 4.703 . 0 0 "[ . 1 . 2]" 1
1243 1 72 ILE HA 1 72 ILE MD . . 4.270 3.860 3.787 3.958 . 0 0 "[ . 1 . 2]" 1
1244 1 72 ILE HA 1 72 ILE HG12 . . 4.130 2.638 2.468 2.826 . 0 0 "[ . 1 . 2]" 1
1245 1 72 ILE HA 1 72 ILE HG13 . . 4.130 2.876 2.661 3.097 . 0 0 "[ . 1 . 2]" 1
1246 1 72 ILE HA 1 72 ILE MG . . 3.520 2.381 2.241 2.466 . 0 0 "[ . 1 . 2]" 1
1247 1 72 ILE HA 1 73 PRO HD2 . . 3.420 1.915 1.911 1.939 . 0 0 "[ . 1 . 2]" 1
1248 1 72 ILE HA 1 73 PRO HD3 . . 3.540 2.497 2.376 2.596 . 0 0 "[ . 1 . 2]" 1
1249 1 72 ILE HA 1 73 PRO HG2 . . 4.640 4.117 4.112 4.144 . 0 0 "[ . 1 . 2]" 1
1250 1 72 ILE HA 1 73 PRO HG3 . . 4.620 4.381 4.328 4.435 . 0 0 "[ . 1 . 2]" 1
1251 1 72 ILE HB 1 72 ILE MD . . 3.320 2.349 2.223 2.522 . 0 0 "[ . 1 . 2]" 1
1252 1 72 ILE HB 1 74 HIS HE1 . . 4.320 3.194 2.043 4.131 . 0 0 "[ . 1 . 2]" 1
1253 1 72 ILE MD 1 72 ILE MG . . 3.130 2.107 1.943 2.349 . 0 0 "[ . 1 . 2]" 1
1254 1 72 ILE QG 1 72 ILE MG . . 3.330 2.224 2.069 2.289 . 0 0 "[ . 1 . 2]" 1
1255 1 72 ILE MG 1 73 PRO HD2 . . 3.690 2.856 2.534 3.107 . 0 0 "[ . 1 . 2]" 1
1256 1 72 ILE MG 1 73 PRO HD3 . . 4.640 4.028 3.753 4.213 . 0 0 "[ . 1 . 2]" 1
1257 1 72 ILE MG 1 74 HIS HE1 . . 4.380 3.539 2.637 4.190 . 0 0 "[ . 1 . 2]" 1
1258 1 73 PRO HA 1 74 HIS H . . 3.400 2.377 2.302 2.407 . 0 0 "[ . 1 . 2]" 1
1259 1 73 PRO HA 1 75 GLU H . . 5.390 5.248 5.227 5.285 . 0 0 "[ . 1 . 2]" 1
1260 1 73 PRO HB2 1 75 GLU H . . 5.500 5.185 5.053 5.232 . 0 0 "[ . 1 . 2]" 1
1261 1 73 PRO HB2 1 79 HIS HE1 . . 4.990 3.439 3.102 3.850 . 0 0 "[ . 1 . 2]" 1
1262 1 73 PRO HB2 1 99 VAL MG2 . . 4.050 2.726 2.415 2.921 . 0 0 "[ . 1 . 2]" 1
1263 1 73 PRO HB3 1 99 VAL MG2 . . 4.350 4.218 3.969 4.352 0.002 10 0 "[ . 1 . 2]" 1
1264 1 73 PRO HG2 1 99 VAL MG2 . . 4.140 3.479 3.103 3.689 . 0 0 "[ . 1 . 2]" 1
1265 1 73 PRO HG3 1 99 VAL MG2 . . 4.380 4.262 3.844 4.373 . 0 0 "[ . 1 . 2]" 1
1266 1 74 HIS H 1 74 HIS HD2 . . 5.190 3.796 1.911 4.993 . 0 0 "[ . 1 . 2]" 1
1267 1 74 HIS H 1 75 GLU H . . 4.200 4.056 4.046 4.067 . 0 0 "[ . 1 . 2]" 1
1268 1 74 HIS QB 1 75 GLU H . . 4.460 3.580 3.555 3.605 . 0 0 "[ . 1 . 2]" 1
1269 1 75 GLU H 1 75 GLU HG2 . . 5.160 4.168 3.355 5.081 . 0 0 "[ . 1 . 2]" 1
1270 1 75 GLU H 1 75 GLU QG . . 4.440 3.622 3.277 4.385 . 0 0 "[ . 1 . 2]" 1
1271 1 75 GLU H 1 75 GLU HG3 . . 5.160 4.259 3.415 5.045 . 0 0 "[ . 1 . 2]" 1
1272 1 75 GLU H 1 79 HIS HE1 . . 4.800 2.392 2.129 2.714 . 0 0 "[ . 1 . 2]" 1
1273 1 75 GLU HA 1 76 ASN H . . 3.150 2.527 2.377 2.564 . 0 0 "[ . 1 . 2]" 1
1274 1 75 GLU QB 1 79 HIS HE1 . . 4.430 2.585 2.326 2.755 . 0 0 "[ . 1 . 2]" 1
1275 1 75 GLU HB2 1 76 ASN H . . 4.000 3.587 3.373 4.021 0.021 14 0 "[ . 1 . 2]" 1
1276 1 75 GLU HB2 1 79 HIS HE1 . . 5.110 2.632 2.340 2.789 . 0 0 "[ . 1 . 2]" 1
1277 1 75 GLU HB3 1 76 ASN H . . 4.000 2.370 2.081 3.270 . 0 0 "[ . 1 . 2]" 1
1278 1 75 GLU HB3 1 79 HIS HE1 . . 5.110 3.963 2.966 4.428 . 0 0 "[ . 1 . 2]" 1
1279 1 75 GLU QG 1 76 ASN H . . 4.390 3.309 1.878 4.053 . 0 0 "[ . 1 . 2]" 1
1280 1 75 GLU HG2 1 76 ASN H . . 4.990 3.772 1.886 4.741 . 0 0 "[ . 1 . 2]" 1
1281 1 75 GLU HG3 1 76 ASN H . . 4.990 4.069 1.900 4.716 . 0 0 "[ . 1 . 2]" 1
1282 1 76 ASN H 1 76 ASN HB2 . . 3.900 3.599 3.494 3.746 . 0 0 "[ . 1 . 2]" 1
1283 1 76 ASN H 1 76 ASN QB . . 3.410 2.823 2.445 3.019 . 0 0 "[ . 1 . 2]" 1
1284 1 76 ASN H 1 76 ASN HB3 . . 3.900 2.987 2.483 3.270 . 0 0 "[ . 1 . 2]" 1
1285 1 76 ASN H 1 76 ASN HD21 . . 4.670 2.776 1.796 3.732 . 0 0 "[ . 1 . 2]" 1
1286 1 76 ASN H 1 76 ASN QD . . 4.020 2.563 1.790 3.293 . 0 0 "[ . 1 . 2]" 1
1287 1 76 ASN H 1 76 ASN HD22 . . 4.670 3.378 2.911 3.699 . 0 0 "[ . 1 . 2]" 1
1288 1 76 ASN H 1 77 GLY H . . 3.850 2.496 2.272 2.796 . 0 0 "[ . 1 . 2]" 1
1289 1 76 ASN H 1 77 GLY QA . . 4.530 4.226 4.075 4.426 . 0 0 "[ . 1 . 2]" 1
1290 1 76 ASN HA 1 76 ASN QD . . 4.420 3.870 3.626 4.090 . 0 0 "[ . 1 . 2]" 1
1291 1 76 ASN HA 1 76 ASN HD22 . . 5.250 5.048 4.906 5.167 . 0 0 "[ . 1 . 2]" 1
1292 1 76 ASN HA 1 77 GLY H . . 3.490 3.110 2.899 3.307 . 0 0 "[ . 1 . 2]" 1
1293 1 76 ASN HA 1 99 VAL MG1 . . 4.770 4.625 4.388 4.768 . 0 0 "[ . 1 . 2]" 1
1294 1 76 ASN QB 1 76 ASN QD . . 3.080 2.302 2.141 2.500 . 0 0 "[ . 1 . 2]" 1
1295 1 76 ASN QB 1 77 GLY H . . 4.000 3.918 3.781 3.996 . 0 0 "[ . 1 . 2]" 1
1296 1 76 ASN HB2 1 77 GLY H . . 4.790 4.352 4.179 4.568 . 0 0 "[ . 1 . 2]" 1
1297 1 76 ASN HB3 1 77 GLY H . . 4.790 4.490 4.089 4.668 . 0 0 "[ . 1 . 2]" 1
1298 1 76 ASN QD 1 77 GLY QA . . 3.990 3.559 3.111 3.961 . 0 0 "[ . 1 . 2]" 1
1299 1 77 GLY H 1 79 HIS HE1 . . 5.500 5.363 5.096 5.502 0.002 17 0 "[ . 1 . 2]" 1
1300 1 77 GLY H 1 99 VAL MG1 . . 4.470 3.784 3.410 4.273 . 0 0 "[ . 1 . 2]" 1
1301 1 77 GLY QA 1 78 VAL HA . . 4.450 3.945 3.931 3.954 . 0 0 "[ . 1 . 2]" 1
1302 1 78 VAL H 1 78 VAL HB . . 3.540 2.543 2.426 2.606 . 0 0 "[ . 1 . 2]" 1
1303 1 78 VAL H 1 78 VAL MG1 . . 4.590 3.801 3.710 3.838 . 0 0 "[ . 1 . 2]" 1
1304 1 78 VAL H 1 78 VAL MG2 . . 3.700 2.654 2.284 2.930 . 0 0 "[ . 1 . 2]" 1
1305 1 78 VAL HA 1 78 VAL MG1 . . 3.530 2.411 2.299 2.495 . 0 0 "[ . 1 . 2]" 1
1306 1 78 VAL HA 1 78 VAL MG2 . . 3.550 2.320 2.175 2.445 . 0 0 "[ . 1 . 2]" 1
1307 1 78 VAL HA 1 79 HIS H . . 3.290 2.214 2.153 2.290 . 0 0 "[ . 1 . 2]" 1
1308 1 78 VAL HA 1 79 HIS HD2 . . 4.450 2.679 2.389 3.359 . 0 0 "[ . 1 . 2]" 1
1309 1 78 VAL HA 1 97 VAL H . . 4.840 4.744 4.347 4.841 0.001 10 0 "[ . 1 . 2]" 1
1310 1 78 VAL HA 1 98 ARG HA . . 4.000 2.790 2.266 3.156 . 0 0 "[ . 1 . 2]" 1
1311 1 78 VAL HA 1 99 VAL H . . 4.380 3.565 3.079 4.195 . 0 0 "[ . 1 . 2]" 1
1312 1 78 VAL HB 1 79 HIS H . . 4.990 4.003 3.832 4.208 . 0 0 "[ . 1 . 2]" 1
1313 1 78 VAL MG1 1 79 HIS H . . 3.850 2.157 1.947 2.341 . 0 0 "[ . 1 . 2]" 1
1314 1 78 VAL MG1 1 96 LYS HA . . 4.130 3.388 3.137 3.631 . 0 0 "[ . 1 . 2]" 1
1315 1 78 VAL MG1 1 96 LYS QB . . 3.690 2.669 2.080 3.048 . 0 0 "[ . 1 . 2]" 1
1316 1 78 VAL MG1 1 96 LYS QE . . 4.230 3.454 1.947 4.224 . 0 0 "[ . 1 . 2]" 1
1317 1 78 VAL MG1 1 97 VAL H . . 3.650 2.581 2.254 2.803 . 0 0 "[ . 1 . 2]" 1
1318 1 78 VAL MG1 1 98 ARG H . . 5.040 4.254 3.848 4.757 . 0 0 "[ . 1 . 2]" 1
1319 1 78 VAL MG1 1 98 ARG HA . . 4.550 3.255 2.790 3.727 . 0 0 "[ . 1 . 2]" 1
1320 1 78 VAL MG2 1 79 HIS H . . 4.530 3.875 3.607 3.997 . 0 0 "[ . 1 . 2]" 1
1321 1 78 VAL MG2 1 98 ARG HA . . 3.990 3.114 2.483 3.828 . 0 0 "[ . 1 . 2]" 1
1322 1 78 VAL MG2 1 98 ARG HB2 . . 4.770 3.556 2.774 4.771 0.001 16 0 "[ . 1 . 2]" 1
1323 1 78 VAL MG2 1 98 ARG HB3 . . 4.770 4.483 4.040 4.704 . 0 0 "[ . 1 . 2]" 1
1324 1 78 VAL MG2 1 98 ARG HG2 . . 3.870 3.386 2.445 3.865 . 0 0 "[ . 1 . 2]" 1
1325 1 78 VAL MG2 1 98 ARG HG3 . . 3.870 2.334 1.987 2.993 . 0 0 "[ . 1 . 2]" 1
1326 1 79 HIS H 1 79 HIS QB . . 3.810 2.625 2.529 2.722 . 0 0 "[ . 1 . 2]" 1
1327 1 79 HIS H 1 79 HIS HD1 . . 4.980 4.906 4.706 4.982 0.002 2 0 "[ . 1 . 2]" 1
1328 1 79 HIS H 1 80 THR H . . 5.140 4.558 4.521 4.603 . 0 0 "[ . 1 . 2]" 1
1329 1 79 HIS H 1 97 VAL H . . 3.960 3.261 2.889 3.544 . 0 0 "[ . 1 . 2]" 1
1330 1 79 HIS H 1 97 VAL MG2 . . 4.590 2.956 2.575 3.291 . 0 0 "[ . 1 . 2]" 1
1331 1 79 HIS H 1 98 ARG HA . . 4.430 3.495 3.042 3.907 . 0 0 "[ . 1 . 2]" 1
1332 1 79 HIS HA 1 80 THR H . . 3.120 2.367 2.326 2.386 . 0 0 "[ . 1 . 2]" 1
1333 1 79 HIS QB 1 80 THR H . . 3.690 2.526 2.478 2.596 . 0 0 "[ . 1 . 2]" 1
1334 1 79 HIS QB 1 97 VAL H . . 4.560 3.634 3.202 4.109 . 0 0 "[ . 1 . 2]" 1
1335 1 79 HIS QB 1 97 VAL MG2 . . 3.340 2.031 1.856 2.265 . 0 0 "[ . 1 . 2]" 1
1336 1 79 HIS HD2 1 97 VAL MG2 . . 3.550 3.187 2.555 3.483 . 0 0 "[ . 1 . 2]" 1
1337 1 79 HIS HE1 1 99 VAL HB . . 4.310 3.606 2.725 4.143 . 0 0 "[ . 1 . 2]" 1
1338 1 79 HIS HE1 1 99 VAL MG1 . . 4.710 3.515 2.401 4.296 . 0 0 "[ . 1 . 2]" 1
1339 1 79 HIS HE1 1 99 VAL MG2 . . 4.450 3.691 3.405 3.959 . 0 0 "[ . 1 . 2]" 1
1340 1 80 THR H 1 80 THR HB . . 3.670 2.843 2.753 2.962 . 0 0 "[ . 1 . 2]" 1
1341 1 80 THR H 1 80 THR MG . . 4.650 3.937 3.889 3.971 . 0 0 "[ . 1 . 2]" 1
1342 1 80 THR H 1 97 VAL MG2 . . 4.700 4.484 4.166 4.690 . 0 0 "[ . 1 . 2]" 1
1343 1 80 THR HA 1 80 THR MG . . 3.510 2.311 2.118 2.448 . 0 0 "[ . 1 . 2]" 1
1344 1 80 THR HA 1 81 ILE H . . 3.000 2.152 2.142 2.163 . 0 0 "[ . 1 . 2]" 1
1345 1 80 THR HA 1 81 ILE HB . . 5.050 4.660 4.609 4.722 . 0 0 "[ . 1 . 2]" 1
1346 1 80 THR HA 1 81 ILE QG . . 4.800 3.755 3.603 3.870 . 0 0 "[ . 1 . 2]" 1
1347 1 80 THR HA 1 94 PRO HB2 . . 4.720 4.128 3.713 4.618 . 0 0 "[ . 1 . 2]" 1
1348 1 80 THR HA 1 96 LYS HA . . 3.720 2.905 2.417 3.208 . 0 0 "[ . 1 . 2]" 1
1349 1 80 THR HA 1 96 LYS QB . . 5.340 4.468 3.836 5.078 . 0 0 "[ . 1 . 2]" 1
1350 1 80 THR HA 1 97 VAL H . . 4.340 3.995 3.475 4.208 . 0 0 "[ . 1 . 2]" 1
1351 1 80 THR HB 1 81 ILE H . . 4.490 4.293 4.181 4.402 . 0 0 "[ . 1 . 2]" 1
1352 1 80 THR HB 1 94 PRO HB2 . . 4.770 4.619 4.355 4.770 . 0 0 "[ . 1 . 2]" 1
1353 1 80 THR MG 1 81 ILE H . . 3.860 2.956 2.599 3.142 . 0 0 "[ . 1 . 2]" 1
1354 1 80 THR MG 1 94 PRO HA . . 4.520 4.100 3.724 4.350 . 0 0 "[ . 1 . 2]" 1
1355 1 80 THR MG 1 94 PRO HB2 . . 3.150 2.006 1.909 2.150 . 0 0 "[ . 1 . 2]" 1
1356 1 80 THR MG 1 94 PRO HB3 . . 3.500 2.846 2.649 3.073 . 0 0 "[ . 1 . 2]" 1
1357 1 80 THR MG 1 94 PRO HG2 . . 4.320 2.981 2.570 3.541 . 0 0 "[ . 1 . 2]" 1
1358 1 80 THR MG 1 94 PRO HG3 . . 3.850 3.027 2.611 3.589 . 0 0 "[ . 1 . 2]" 1
1359 1 80 THR MG 1 95 PHE H . . 4.460 3.500 2.900 4.245 . 0 0 "[ . 1 . 2]" 1
1360 1 80 THR MG 1 96 LYS HA . . 4.570 3.867 3.469 4.266 . 0 0 "[ . 1 . 2]" 1
1361 1 81 ILE H 1 81 ILE HB . . 3.650 2.529 2.471 2.582 . 0 0 "[ . 1 . 2]" 1
1362 1 81 ILE H 1 81 ILE MD . . 4.380 3.419 3.186 3.640 . 0 0 "[ . 1 . 2]" 1
1363 1 81 ILE H 1 81 ILE HG12 . . 4.500 3.725 3.596 3.959 . 0 0 "[ . 1 . 2]" 1
1364 1 81 ILE H 1 81 ILE QG . . 3.690 2.299 2.102 2.532 . 0 0 "[ . 1 . 2]" 1
1365 1 81 ILE H 1 81 ILE HG13 . . 4.500 2.321 2.116 2.562 . 0 0 "[ . 1 . 2]" 1
1366 1 81 ILE H 1 81 ILE MG . . 4.600 3.785 3.768 3.808 . 0 0 "[ . 1 . 2]" 1
1367 1 81 ILE H 1 94 PRO HB2 . . 4.810 3.932 3.381 4.810 0.000 8 0 "[ . 1 . 2]" 1
1368 1 81 ILE H 1 95 PHE H . . 3.820 3.159 2.626 3.540 . 0 0 "[ . 1 . 2]" 1
1369 1 81 ILE H 1 95 PHE HB2 . . 4.950 3.327 2.946 3.803 . 0 0 "[ . 1 . 2]" 1
1370 1 81 ILE H 1 95 PHE QB . . 4.080 3.229 2.896 3.659 . 0 0 "[ . 1 . 2]" 1
1371 1 81 ILE H 1 95 PHE HB3 . . 4.950 4.389 3.920 4.756 . 0 0 "[ . 1 . 2]" 1
1372 1 81 ILE H 1 95 PHE QD . . 5.210 4.767 4.295 5.213 0.003 12 0 "[ . 1 . 2]" 1
1373 1 81 ILE H 1 96 LYS HA . . 4.100 3.831 3.352 4.093 . 0 0 "[ . 1 . 2]" 1
1374 1 81 ILE HA 1 81 ILE MD . . 4.270 3.888 3.839 3.917 . 0 0 "[ . 1 . 2]" 1
1375 1 81 ILE HA 1 81 ILE HG12 . . 4.230 2.720 2.551 2.815 . 0 0 "[ . 1 . 2]" 1
1376 1 81 ILE HA 1 81 ILE HG13 . . 4.230 2.842 2.713 2.945 . 0 0 "[ . 1 . 2]" 1
1377 1 81 ILE HA 1 81 ILE MG . . 3.400 2.326 2.236 2.419 . 0 0 "[ . 1 . 2]" 1
1378 1 81 ILE HA 1 82 ASP H . . 3.170 2.187 2.139 2.259 . 0 0 "[ . 1 . 2]" 1
1379 1 81 ILE HB 1 81 ILE MD . . 3.540 2.261 2.180 2.311 . 0 0 "[ . 1 . 2]" 1
1380 1 81 ILE HB 1 83 VAL MG2 . . 4.390 3.684 3.334 3.983 . 0 0 "[ . 1 . 2]" 1
1381 1 81 ILE HB 1 95 PHE H . . 3.960 2.932 2.574 3.298 . 0 0 "[ . 1 . 2]" 1
1382 1 81 ILE HB 1 95 PHE HA . . 5.500 4.811 4.609 5.104 . 0 0 "[ . 1 . 2]" 1
1383 1 81 ILE HB 1 95 PHE HB2 . . 4.030 2.103 1.999 2.296 . 0 0 "[ . 1 . 2]" 1
1384 1 81 ILE HB 1 95 PHE QB . . 3.390 2.091 1.988 2.282 . 0 0 "[ . 1 . 2]" 1
1385 1 81 ILE HB 1 95 PHE HB3 . . 4.030 3.704 3.490 3.981 . 0 0 "[ . 1 . 2]" 1
1386 1 81 ILE HB 1 95 PHE QD . . 3.840 3.034 2.398 3.526 . 0 0 "[ . 1 . 2]" 1
1387 1 81 ILE MD 1 81 ILE MG . . 2.930 2.260 2.065 2.414 . 0 0 "[ . 1 . 2]" 1
1388 1 81 ILE MD 1 95 PHE HB2 . . 4.700 2.671 2.248 3.116 . 0 0 "[ . 1 . 2]" 1
1389 1 81 ILE MD 1 95 PHE QB . . 3.960 2.541 2.205 2.874 . 0 0 "[ . 1 . 2]" 1
1390 1 81 ILE MD 1 95 PHE HB3 . . 4.700 3.229 2.848 3.502 . 0 0 "[ . 1 . 2]" 1
1391 1 81 ILE MD 1 95 PHE QD . . 4.950 3.837 3.430 4.245 . 0 0 "[ . 1 . 2]" 1
1392 1 81 ILE MD 1 97 VAL MG1 . . 3.720 2.526 2.016 3.079 . 0 0 "[ . 1 . 2]" 1
1393 1 81 ILE QG 1 81 ILE MG . . 3.320 2.160 2.032 2.274 . 0 0 "[ . 1 . 2]" 1
1394 1 81 ILE QG 1 95 PHE QB . . 4.770 3.561 3.378 3.763 . 0 0 "[ . 1 . 2]" 1
1395 1 81 ILE MG 1 82 ASP H . . 3.760 2.213 1.889 2.618 . 0 0 "[ . 1 . 2]" 1
1396 1 81 ILE MG 1 83 VAL MG2 . . 2.890 2.024 1.914 2.185 . 0 0 "[ . 1 . 2]" 1
1397 1 81 ILE MG 1 95 PHE H . . 4.900 3.950 3.556 4.321 . 0 0 "[ . 1 . 2]" 1
1398 1 81 ILE MG 1 95 PHE QD . . 4.110 3.140 2.875 3.601 . 0 0 "[ . 1 . 2]" 1
1399 1 82 ASP H 1 82 ASP HB2 . . 4.040 2.961 2.340 3.397 . 0 0 "[ . 1 . 2]" 1
1400 1 82 ASP H 1 82 ASP QB . . 3.350 2.400 2.236 2.542 . 0 0 "[ . 1 . 2]" 1
1401 1 82 ASP H 1 82 ASP HB3 . . 4.040 2.792 2.282 3.637 . 0 0 "[ . 1 . 2]" 1
1402 1 82 ASP HA 1 83 VAL H . . 3.120 2.167 2.141 2.226 . 0 0 "[ . 1 . 2]" 1
1403 1 82 ASP HA 1 83 VAL MG2 . . 4.740 3.857 3.720 4.017 . 0 0 "[ . 1 . 2]" 1
1404 1 82 ASP HA 1 89 HIS HE1 . . 4.220 4.024 3.459 4.224 0.004 2 0 "[ . 1 . 2]" 1
1405 1 82 ASP HA 1 93 SER HG . . 4.730 3.553 2.924 4.083 . 0 0 "[ . 1 . 2]" 1
1406 1 82 ASP HA 1 94 PRO HA . . 3.820 3.200 2.722 3.453 . 0 0 "[ . 1 . 2]" 1
1407 1 82 ASP HA 1 94 PRO HB3 . . 4.300 2.964 2.382 3.762 . 0 0 "[ . 1 . 2]" 1
1408 1 82 ASP HA 1 95 PHE H . . 4.390 4.094 3.749 4.323 . 0 0 "[ . 1 . 2]" 1
1409 1 82 ASP QB 1 89 HIS HE1 . . 4.000 3.660 3.154 3.985 . 0 0 "[ . 1 . 2]" 1
1410 1 83 VAL H 1 83 VAL HB . . 3.850 2.596 2.525 2.683 . 0 0 "[ . 1 . 2]" 1
1411 1 83 VAL H 1 83 VAL MG1 . . 4.670 3.831 3.801 3.859 . 0 0 "[ . 1 . 2]" 1
1412 1 83 VAL H 1 83 VAL MG2 . . 4.010 2.672 2.516 2.885 . 0 0 "[ . 1 . 2]" 1
1413 1 83 VAL H 1 89 HIS HE1 . . 5.040 4.868 4.330 5.038 . 0 0 "[ . 1 . 2]" 1
1414 1 83 VAL H 1 90 VAL MG2 . . 4.400 3.951 3.680 4.372 . 0 0 "[ . 1 . 2]" 1
1415 1 83 VAL H 1 93 SER HB2 . . 4.290 3.845 3.565 4.291 0.001 15 0 "[ . 1 . 2]" 1
1416 1 83 VAL H 1 93 SER HB3 . . 4.580 4.365 3.829 4.581 0.001 11 0 "[ . 1 . 2]" 1
1417 1 83 VAL H 1 93 SER HG . . 3.520 2.752 1.923 3.340 . 0 0 "[ . 1 . 2]" 1
1418 1 83 VAL H 1 94 PRO HA . . 4.500 3.480 3.036 3.906 . 0 0 "[ . 1 . 2]" 1
1419 1 83 VAL HA 1 83 VAL MG1 . . 3.280 2.413 2.288 2.463 . 0 0 "[ . 1 . 2]" 1
1420 1 83 VAL HA 1 83 VAL MG2 . . 3.500 2.364 2.283 2.445 . 0 0 "[ . 1 . 2]" 1
1421 1 83 VAL HA 1 84 LYS H . . 2.770 2.159 2.139 2.187 . 0 0 "[ . 1 . 2]" 1
1422 1 83 VAL HB 1 84 LYS H . . 4.740 4.356 4.216 4.442 . 0 0 "[ . 1 . 2]" 1
1423 1 83 VAL HB 1 90 VAL H . . 4.590 3.877 3.472 4.297 . 0 0 "[ . 1 . 2]" 1
1424 1 83 VAL HB 1 90 VAL MG2 . . 3.300 2.128 1.902 2.462 . 0 0 "[ . 1 . 2]" 1
1425 1 83 VAL HB 1 93 SER HB2 . . 3.900 3.256 2.920 3.780 . 0 0 "[ . 1 . 2]" 1
1426 1 83 VAL HB 1 93 SER HB3 . . 4.680 4.330 3.923 4.663 . 0 0 "[ . 1 . 2]" 1
1427 1 83 VAL HB 1 95 PHE QD . . 4.540 3.902 3.346 4.282 . 0 0 "[ . 1 . 2]" 1
1428 1 83 VAL HB 1 95 PHE QE . . 3.850 3.057 2.347 3.572 . 0 0 "[ . 1 . 2]" 1
1429 1 83 VAL MG1 1 84 LYS H . . 3.400 2.960 2.580 3.192 . 0 0 "[ . 1 . 2]" 1
1430 1 83 VAL MG1 1 85 PHE H . . 4.710 4.451 4.085 4.708 . 0 0 "[ . 1 . 2]" 1
1431 1 83 VAL MG1 1 89 HIS HA . . 5.240 4.651 4.301 5.077 . 0 0 "[ . 1 . 2]" 1
1432 1 83 VAL MG1 1 90 VAL H . . 4.450 3.603 3.271 4.010 . 0 0 "[ . 1 . 2]" 1
1433 1 83 VAL MG1 1 90 VAL MG1 . . 2.930 2.205 1.909 2.568 . 0 0 "[ . 1 . 2]" 1
1434 1 83 VAL MG1 1 90 VAL MG2 . . 3.240 2.187 1.767 2.454 . 0 0 "[ . 1 . 2]" 1
1435 1 83 VAL MG1 1 95 PHE QE . . 4.260 3.833 3.499 4.260 0.000 15 0 "[ . 1 . 2]" 1
1436 1 83 VAL MG2 1 84 LYS H . . 4.370 4.156 4.053 4.224 . 0 0 "[ . 1 . 2]" 1
1437 1 83 VAL MG2 1 95 PHE QD . . 3.570 2.833 2.337 3.399 . 0 0 "[ . 1 . 2]" 1
1438 1 83 VAL MG2 1 95 PHE QE . . 3.630 2.980 2.308 3.626 . 0 0 "[ . 1 . 2]" 1
1439 1 84 LYS H 1 84 LYS HB2 . . 3.510 2.402 2.273 2.532 . 0 0 "[ . 1 . 2]" 1
1440 1 84 LYS H 1 84 LYS HB3 . . 3.690 3.605 3.513 3.688 . 0 0 "[ . 1 . 2]" 1
1441 1 84 LYS H 1 84 LYS HG2 . . 5.050 4.333 4.047 4.564 . 0 0 "[ . 1 . 2]" 1
1442 1 84 LYS H 1 84 LYS QG . . 4.330 3.220 2.878 3.467 . 0 0 "[ . 1 . 2]" 1
1443 1 84 LYS H 1 84 LYS HG3 . . 5.050 3.327 2.929 3.592 . 0 0 "[ . 1 . 2]" 1
1444 1 84 LYS H 1 85 PHE H . . 4.940 4.462 4.358 4.535 . 0 0 "[ . 1 . 2]" 1
1445 1 84 LYS HA 1 84 LYS HD2 . . 5.250 4.457 3.960 4.762 . 0 0 "[ . 1 . 2]" 1
1446 1 84 LYS HA 1 84 LYS QD . . 4.520 3.960 3.668 4.112 . 0 0 "[ . 1 . 2]" 1
1447 1 84 LYS HA 1 84 LYS HD3 . . 5.250 4.448 4.111 4.579 . 0 0 "[ . 1 . 2]" 1
1448 1 84 LYS HA 1 84 LYS QG . . 3.710 2.307 2.148 2.453 . 0 0 "[ . 1 . 2]" 1
1449 1 84 LYS HA 1 85 PHE H . . 2.910 2.195 2.147 2.246 . 0 0 "[ . 1 . 2]" 1
1450 1 84 LYS HA 1 88 SER H . . 4.170 3.528 3.322 4.090 . 0 0 "[ . 1 . 2]" 1
1451 1 84 LYS HA 1 89 HIS HA . . 3.910 2.561 2.265 2.881 . 0 0 "[ . 1 . 2]" 1
1452 1 84 LYS HA 1 90 VAL H . . 3.690 3.296 2.688 3.586 . 0 0 "[ . 1 . 2]" 1
1453 1 84 LYS HB2 1 84 LYS HD2 . . 4.060 2.704 2.298 3.461 . 0 0 "[ . 1 . 2]" 1
1454 1 84 LYS HB2 1 84 LYS QD . . 3.520 2.382 2.151 2.996 . 0 0 "[ . 1 . 2]" 1
1455 1 84 LYS HB2 1 84 LYS HD3 . . 4.060 2.845 2.173 3.952 . 0 0 "[ . 1 . 2]" 1
1456 1 84 LYS HB2 1 85 PHE H . . 4.640 4.229 4.041 4.360 . 0 0 "[ . 1 . 2]" 1
1457 1 84 LYS HB2 1 87 GLY H . . 5.320 4.883 4.493 5.315 . 0 0 "[ . 1 . 2]" 1
1458 1 84 LYS HB3 1 85 PHE H . . 3.830 3.113 2.888 3.375 . 0 0 "[ . 1 . 2]" 1
1459 1 84 LYS HB3 1 87 GLY H . . 4.310 3.315 2.993 3.659 . 0 0 "[ . 1 . 2]" 1
1460 1 84 LYS HB3 1 87 GLY QA . . 4.200 3.576 3.157 3.924 . 0 0 "[ . 1 . 2]" 1
1461 1 84 LYS HB3 1 88 SER H . . 3.720 3.059 2.515 3.577 . 0 0 "[ . 1 . 2]" 1
1462 1 84 LYS QE 1 84 LYS QG . . 3.320 2.148 2.012 2.354 . 0 0 "[ . 1 . 2]" 1
1463 1 84 LYS QE 1 89 HIS HD2 . . 4.910 3.358 2.460 4.462 . 0 0 "[ . 1 . 2]" 1
1464 1 84 LYS QE 1 89 HIS HE1 . . 4.320 3.206 2.218 3.858 . 0 0 "[ . 1 . 2]" 1
1465 1 84 LYS HE2 1 89 HIS HE1 . . 4.970 3.899 2.339 4.954 . 0 0 "[ . 1 . 2]" 1
1466 1 84 LYS HE3 1 89 HIS HE1 . . 4.970 3.782 2.240 4.952 . 0 0 "[ . 1 . 2]" 1
1467 1 84 LYS QG 1 85 PHE H . . 4.160 3.708 3.531 3.949 . 0 0 "[ . 1 . 2]" 1
1468 1 84 LYS QG 1 89 HIS H . . 4.720 3.827 3.060 4.667 . 0 0 "[ . 1 . 2]" 1
1469 1 84 LYS QG 1 89 HIS HA . . 3.720 3.060 2.134 3.414 . 0 0 "[ . 1 . 2]" 1
1470 1 84 LYS QG 1 90 VAL H . . 4.980 4.583 3.828 4.911 . 0 0 "[ . 1 . 2]" 1
1471 1 84 LYS HG2 1 88 SER H . . 5.020 3.401 3.003 3.713 . 0 0 "[ . 1 . 2]" 1
1472 1 84 LYS HG2 1 89 HIS H . . 5.500 3.977 3.118 5.045 . 0 0 "[ . 1 . 2]" 1
1473 1 84 LYS HG2 1 89 HIS HA . . 4.410 3.384 2.151 4.050 . 0 0 "[ . 1 . 2]" 1
1474 1 84 LYS HG3 1 88 SER H . . 5.020 4.844 4.526 5.030 0.010 15 0 "[ . 1 . 2]" 1
1475 1 84 LYS HG3 1 89 HIS H . . 5.500 5.076 4.443 5.502 0.002 15 0 "[ . 1 . 2]" 1
1476 1 84 LYS HG3 1 89 HIS HA . . 4.410 3.647 3.132 4.099 . 0 0 "[ . 1 . 2]" 1
1477 1 85 PHE H 1 85 PHE HB2 . . 3.860 3.038 2.803 3.150 . 0 0 "[ . 1 . 2]" 1
1478 1 85 PHE H 1 85 PHE HB3 . . 3.610 2.815 2.703 2.933 . 0 0 "[ . 1 . 2]" 1
1479 1 85 PHE H 1 85 PHE QD . . 4.690 4.369 4.317 4.414 . 0 0 "[ . 1 . 2]" 1
1480 1 85 PHE H 1 86 ASN H . . 4.970 3.970 3.739 4.179 . 0 0 "[ . 1 . 2]" 1
1481 1 85 PHE H 1 88 SER H . . 3.280 2.518 2.338 2.776 . 0 0 "[ . 1 . 2]" 1
1482 1 85 PHE H 1 88 SER HB2 . . 5.200 4.823 3.704 5.092 . 0 0 "[ . 1 . 2]" 1
1483 1 85 PHE H 1 88 SER QB . . 4.520 3.614 3.364 3.865 . 0 0 "[ . 1 . 2]" 1
1484 1 85 PHE H 1 88 SER HB3 . . 5.200 3.759 3.433 4.177 . 0 0 "[ . 1 . 2]" 1
1485 1 85 PHE H 1 89 HIS H . . 5.470 4.781 4.545 5.032 . 0 0 "[ . 1 . 2]" 1
1486 1 85 PHE H 1 89 HIS HA . . 4.130 3.746 3.432 4.109 . 0 0 "[ . 1 . 2]" 1
1487 1 85 PHE H 1 90 VAL H . . 4.660 3.864 3.035 4.292 . 0 0 "[ . 1 . 2]" 1
1488 1 85 PHE H 1 90 VAL MG1 . . 4.180 3.469 2.713 3.907 . 0 0 "[ . 1 . 2]" 1
1489 1 85 PHE HA 1 85 PHE QD . . 3.780 2.873 2.514 3.084 . 0 0 "[ . 1 . 2]" 1
1490 1 85 PHE HA 1 86 ASN H . . 3.060 2.180 2.140 2.246 . 0 0 "[ . 1 . 2]" 1
1491 1 85 PHE HA 1 86 ASN HA . . 4.560 4.381 4.364 4.405 . 0 0 "[ . 1 . 2]" 1
1492 1 85 PHE HB2 1 86 ASN H . . 4.750 4.519 4.400 4.590 . 0 0 "[ . 1 . 2]" 1
1493 1 85 PHE HB2 1 90 VAL MG1 . . 3.750 2.543 1.971 2.861 . 0 0 "[ . 1 . 2]" 1
1494 1 85 PHE HB3 1 86 ASN H . . 4.860 4.342 4.242 4.428 . 0 0 "[ . 1 . 2]" 1
1495 1 85 PHE HB3 1 90 VAL MG1 . . 3.870 2.848 2.384 3.136 . 0 0 "[ . 1 . 2]" 1
1496 1 85 PHE QD 1 86 ASN H . . 4.490 3.996 3.615 4.268 . 0 0 "[ . 1 . 2]" 1
1497 1 85 PHE QD 1 86 ASN HB2 . . 4.560 2.939 2.310 3.668 . 0 0 "[ . 1 . 2]" 1
1498 1 85 PHE QD 1 86 ASN QB . . 3.960 2.792 2.296 3.404 . 0 0 "[ . 1 . 2]" 1
1499 1 85 PHE QD 1 86 ASN HB3 . . 4.560 3.755 2.959 4.546 . 0 0 "[ . 1 . 2]" 1
1500 1 85 PHE QD 1 90 VAL MG1 . . 4.920 3.761 3.270 4.109 . 0 0 "[ . 1 . 2]" 1
1501 1 85 PHE QE 1 86 ASN QD . . 5.060 3.784 2.335 4.923 . 0 0 "[ . 1 . 2]" 1
1502 1 86 ASN H 1 87 GLY H . . 4.010 2.638 2.510 2.848 . 0 0 "[ . 1 . 2]" 1
1503 1 86 ASN HA 1 87 GLY H . . 3.430 2.859 2.659 2.967 . 0 0 "[ . 1 . 2]" 1
1504 1 86 ASN QB 1 86 ASN QD . . 2.930 2.145 2.063 2.538 . 0 0 "[ . 1 . 2]" 1
1505 1 86 ASN HB2 1 86 ASN HD22 . . 4.020 3.554 3.433 4.092 0.072 18 0 "[ . 1 . 2]" 1
1506 1 86 ASN HB3 1 86 ASN HD22 . . 4.020 3.775 3.456 4.011 . 0 0 "[ . 1 . 2]" 1
1507 1 87 GLY H 1 88 SER H . . 3.560 2.640 2.483 2.902 . 0 0 "[ . 1 . 2]" 1
1508 1 88 SER H 1 88 SER HB2 . . 3.600 3.355 2.580 3.588 . 0 0 "[ . 1 . 2]" 1
1509 1 88 SER H 1 88 SER QB . . 2.960 2.901 2.530 2.964 0.004 9 0 "[ . 1 . 2]" 1
1510 1 88 SER H 1 88 SER HB3 . . 3.600 3.222 3.028 3.644 0.044 15 0 "[ . 1 . 2]" 1
1511 1 88 SER H 1 89 HIS H . . 4.610 3.976 3.784 4.431 . 0 0 "[ . 1 . 2]" 1
1512 1 88 SER HA 1 89 HIS H . . 3.020 2.163 2.138 2.515 . 0 0 "[ . 1 . 2]" 1
1513 1 88 SER HA 1 89 HIS HD2 . . 5.130 3.587 3.198 4.441 . 0 0 "[ . 1 . 2]" 1
1514 1 88 SER QB 1 89 HIS H . . 3.850 3.699 2.236 3.837 . 0 0 "[ . 1 . 2]" 1
1515 1 88 SER HB2 1 89 HIS H . . 4.550 4.325 3.713 4.522 . 0 0 "[ . 1 . 2]" 1
1516 1 88 SER HB3 1 89 HIS H . . 4.550 4.054 2.254 4.322 . 0 0 "[ . 1 . 2]" 1
1517 1 89 HIS H 1 89 HIS HB2 . . 3.310 2.359 2.260 2.507 . 0 0 "[ . 1 . 2]" 1
1518 1 89 HIS H 1 89 HIS HB3 . . 3.750 3.577 3.537 3.685 . 0 0 "[ . 1 . 2]" 1
1519 1 89 HIS H 1 89 HIS HD2 . . 3.800 2.488 2.151 3.577 . 0 0 "[ . 1 . 2]" 1
1520 1 89 HIS HA 1 89 HIS HD2 . . 5.260 3.622 3.155 4.339 . 0 0 "[ . 1 . 2]" 1
1521 1 89 HIS HA 1 90 VAL H . . 2.910 2.150 2.140 2.225 . 0 0 "[ . 1 . 2]" 1
1522 1 89 HIS HA 1 90 VAL MG1 . . 4.390 3.793 3.614 4.096 . 0 0 "[ . 1 . 2]" 1
1523 1 89 HIS HA 1 90 VAL MG2 . . 4.760 3.816 3.579 3.945 . 0 0 "[ . 1 . 2]" 1
1524 1 89 HIS HA 1 93 SER HB2 . . 4.980 4.616 4.215 4.981 0.001 6 0 "[ . 1 . 2]" 1
1525 1 89 HIS HA 1 93 SER HB3 . . 4.380 3.640 3.254 4.194 . 0 0 "[ . 1 . 2]" 1
1526 1 89 HIS HB2 1 89 HIS HD2 . . 3.890 3.027 2.727 3.245 . 0 0 "[ . 1 . 2]" 1
1527 1 89 HIS HB2 1 90 VAL H . . 4.660 4.422 4.293 4.533 . 0 0 "[ . 1 . 2]" 1
1528 1 89 HIS HB2 1 93 SER H . . 5.500 5.323 4.708 5.506 0.006 15 0 "[ . 1 . 2]" 1
1529 1 89 HIS HB2 1 93 SER HB2 . . 5.500 5.422 5.325 5.504 0.004 1 0 "[ . 1 . 2]" 1
1530 1 89 HIS HB2 1 93 SER HB3 . . 4.200 3.784 3.633 4.075 . 0 0 "[ . 1 . 2]" 1
1531 1 89 HIS HB2 1 93 SER HG . . 5.110 4.202 3.610 5.105 . 0 0 "[ . 1 . 2]" 1
1532 1 89 HIS HB3 1 89 HIS HE1 . . 4.910 4.733 4.716 4.813 . 0 0 "[ . 1 . 2]" 1
1533 1 89 HIS HB3 1 90 VAL H . . 3.990 3.597 3.246 3.963 . 0 0 "[ . 1 . 2]" 1
1534 1 89 HIS HB3 1 90 VAL MG2 . . 4.750 4.193 3.928 4.449 . 0 0 "[ . 1 . 2]" 1
1535 1 89 HIS HB3 1 93 SER H . . 4.990 4.179 3.798 4.469 . 0 0 "[ . 1 . 2]" 1
1536 1 89 HIS HB3 1 93 SER HA . . 5.370 4.716 4.451 4.902 . 0 0 "[ . 1 . 2]" 1
1537 1 89 HIS HB3 1 93 SER HB2 . . 4.110 3.753 3.667 3.853 . 0 0 "[ . 1 . 2]" 1
1538 1 89 HIS HB3 1 93 SER HB3 . . 3.790 2.176 2.001 2.472 . 0 0 "[ . 1 . 2]" 1
1539 1 89 HIS HB3 1 93 SER HG . . 4.600 2.557 1.997 3.594 . 0 0 "[ . 1 . 2]" 1
1540 1 89 HIS HE1 1 93 SER HG . . 4.350 4.165 3.606 4.352 0.002 2 0 "[ . 1 . 2]" 1
1541 1 89 HIS HE1 1 94 PRO HA . . 5.500 5.104 4.257 5.455 . 0 0 "[ . 1 . 2]" 1
1542 1 89 HIS HE1 1 94 PRO HB3 . . 4.510 4.077 3.440 4.489 . 0 0 "[ . 1 . 2]" 1
1543 1 89 HIS HE1 1 94 PRO QD . . 4.610 3.986 3.465 4.445 . 0 0 "[ . 1 . 2]" 1
1544 1 89 HIS HE1 1 94 PRO HG3 . . 5.300 4.808 4.227 5.220 . 0 0 "[ . 1 . 2]" 1
1545 1 90 VAL H 1 90 VAL HB . . 4.020 3.614 3.598 3.635 . 0 0 "[ . 1 . 2]" 1
1546 1 90 VAL H 1 90 VAL MG1 . . 3.000 2.134 1.893 2.424 . 0 0 "[ . 1 . 2]" 1
1547 1 90 VAL H 1 90 VAL MG2 . . 3.280 2.291 1.981 2.411 . 0 0 "[ . 1 . 2]" 1
1548 1 90 VAL H 1 91 VAL H . . 4.920 4.602 4.560 4.649 . 0 0 "[ . 1 . 2]" 1
1549 1 90 VAL H 1 93 SER HB2 . . 4.030 3.854 3.544 4.032 0.002 9 0 "[ . 1 . 2]" 1
1550 1 90 VAL H 1 93 SER HB3 . . 3.740 3.478 3.147 3.614 . 0 0 "[ . 1 . 2]" 1
1551 1 90 VAL H 1 93 SER HG . . 4.450 4.149 3.582 4.444 . 0 0 "[ . 1 . 2]" 1
1552 1 90 VAL HA 1 90 VAL MG1 . . 3.250 2.327 2.150 2.453 . 0 0 "[ . 1 . 2]" 1
1553 1 90 VAL HA 1 91 VAL H . . 3.420 2.459 2.197 2.647 . 0 0 "[ . 1 . 2]" 1
1554 1 90 VAL HA 1 91 VAL HA . . 5.470 4.312 4.298 4.324 . 0 0 "[ . 1 . 2]" 1
1555 1 90 VAL HB 1 91 VAL H . . 3.290 2.336 1.952 2.992 . 0 0 "[ . 1 . 2]" 1
1556 1 90 VAL HB 1 91 VAL MG1 . . 4.460 3.407 2.964 4.058 . 0 0 "[ . 1 . 2]" 1
1557 1 90 VAL HB 1 95 PHE QE . . 5.450 4.780 4.276 5.285 . 0 0 "[ . 1 . 2]" 1
1558 1 90 VAL MG1 1 91 VAL H . . 4.090 3.679 3.530 3.974 . 0 0 "[ . 1 . 2]" 1
1559 1 90 VAL MG2 1 91 VAL H . . 4.140 3.275 2.847 3.947 . 0 0 "[ . 1 . 2]" 1
1560 1 90 VAL MG2 1 93 SER H . . 4.170 3.726 3.232 4.041 . 0 0 "[ . 1 . 2]" 1
1561 1 90 VAL MG2 1 93 SER HA . . 4.530 4.134 3.913 4.420 . 0 0 "[ . 1 . 2]" 1
1562 1 90 VAL MG2 1 93 SER HB2 . . 3.510 2.121 1.942 2.453 . 0 0 "[ . 1 . 2]" 1
1563 1 90 VAL MG2 1 93 SER HB3 . . 3.870 2.856 2.531 3.330 . 0 0 "[ . 1 . 2]" 1
1564 1 90 VAL MG2 1 95 PHE QE . . 3.600 2.425 1.983 2.785 . 0 0 "[ . 1 . 2]" 1
1565 1 90 VAL MG2 1 95 PHE HZ . . 3.860 3.071 2.356 3.812 . 0 0 "[ . 1 . 2]" 1
1566 1 91 VAL H 1 91 VAL HB . . 3.630 3.208 2.512 3.620 . 0 0 "[ . 1 . 2]" 1
1567 1 91 VAL H 1 91 VAL MG1 . . 3.230 2.079 1.875 2.374 . 0 0 "[ . 1 . 2]" 1
1568 1 91 VAL H 1 91 VAL MG2 . . 3.960 2.912 2.242 3.785 . 0 0 "[ . 1 . 2]" 1
1569 1 91 VAL H 1 92 GLY H . . 4.720 4.589 4.472 4.633 . 0 0 "[ . 1 . 2]" 1
1570 1 91 VAL HA 1 91 VAL MG1 . . 3.210 2.749 2.394 3.194 . 0 0 "[ . 1 . 2]" 1
1571 1 91 VAL HA 1 91 VAL MG2 . . 3.340 2.877 2.343 3.192 . 0 0 "[ . 1 . 2]" 1
1572 1 91 VAL HA 1 92 GLY H . . 2.690 2.202 2.144 2.285 . 0 0 "[ . 1 . 2]" 1
1573 1 91 VAL HA 1 92 GLY HA2 . . 4.570 4.430 4.384 4.479 . 0 0 "[ . 1 . 2]" 1
1574 1 91 VAL HA 1 92 GLY HA3 . . 4.570 4.459 4.393 4.536 . 0 0 "[ . 1 . 2]" 1
1575 1 91 VAL HA 1 93 SER H . . 3.720 3.493 3.294 3.723 0.003 2 0 "[ . 1 . 2]" 1
1576 1 91 VAL HB 1 92 GLY H . . 4.520 3.409 2.741 4.210 . 0 0 "[ . 1 . 2]" 1
1577 1 91 VAL MG1 1 92 GLY H . . 4.180 4.050 3.875 4.191 0.011 14 0 "[ . 1 . 2]" 1
1578 1 91 VAL MG2 1 92 GLY H . . 3.530 3.074 2.255 3.536 0.006 15 0 "[ . 1 . 2]" 1
1579 1 91 VAL MG2 1 92 GLY HA2 . . 4.460 4.047 3.299 4.465 0.005 15 0 "[ . 1 . 2]" 1
1580 1 91 VAL MG2 1 92 GLY HA3 . . 4.460 3.316 3.128 3.441 . 0 0 "[ . 1 . 2]" 1
1581 1 92 GLY H 1 93 SER H . . 3.350 2.584 2.242 2.861 . 0 0 "[ . 1 . 2]" 1
1582 1 92 GLY QA 1 95 PHE QD . . 4.570 4.105 3.564 4.569 . 0 0 "[ . 1 . 2]" 1
1583 1 92 GLY QA 1 95 PHE QE . . 3.830 2.958 2.044 3.467 . 0 0 "[ . 1 . 2]" 1
1584 1 92 GLY QA 1 95 PHE HZ . . 4.680 3.417 2.566 3.853 . 0 0 "[ . 1 . 2]" 1
1585 1 92 GLY HA2 1 95 PHE HZ . . 5.500 5.052 4.315 5.498 . 0 0 "[ . 1 . 2]" 1
1586 1 92 GLY HA3 1 95 PHE HZ . . 5.500 3.477 2.585 3.934 . 0 0 "[ . 1 . 2]" 1
1587 1 93 SER H 1 93 SER HB2 . . 3.360 3.001 2.420 3.367 0.007 19 0 "[ . 1 . 2]" 1
1588 1 93 SER H 1 93 SER HB3 . . 3.230 2.657 2.342 2.934 . 0 0 "[ . 1 . 2]" 1
1589 1 93 SER H 1 93 SER HG . . 4.630 4.425 4.038 4.618 . 0 0 "[ . 1 . 2]" 1
1590 1 93 SER H 1 94 PRO HA . . 4.850 4.801 4.783 4.809 . 0 0 "[ . 1 . 2]" 1
1591 1 93 SER HA 1 94 PRO HA . . 3.270 2.231 2.194 2.341 . 0 0 "[ . 1 . 2]" 1
1592 1 93 SER HA 1 94 PRO HB2 . . 5.050 4.316 4.298 4.372 . 0 0 "[ . 1 . 2]" 1
1593 1 93 SER HA 1 94 PRO HB3 . . 4.830 4.367 4.338 4.455 . 0 0 "[ . 1 . 2]" 1
1594 1 93 SER HA 1 94 PRO QD . . 4.240 4.000 3.995 4.012 . 0 0 "[ . 1 . 2]" 1
1595 1 93 SER HA 1 95 PHE H . . 3.550 3.194 2.857 3.522 . 0 0 "[ . 1 . 2]" 1
1596 1 93 SER HA 1 95 PHE QD . . 4.120 3.296 2.464 3.692 . 0 0 "[ . 1 . 2]" 1
1597 1 93 SER HA 1 95 PHE QE . . 4.690 3.732 2.920 4.100 . 0 0 "[ . 1 . 2]" 1
1598 1 93 SER HB2 1 94 PRO HA . . 4.540 3.467 2.909 3.807 . 0 0 "[ . 1 . 2]" 1
1599 1 93 SER HB2 1 95 PHE QD . . 4.540 3.601 3.196 4.139 . 0 0 "[ . 1 . 2]" 1
1600 1 93 SER HB2 1 95 PHE QE . . 3.980 2.674 2.080 3.233 . 0 0 "[ . 1 . 2]" 1
1601 1 93 SER HB2 1 95 PHE HZ . . 5.230 4.065 3.159 4.673 . 0 0 "[ . 1 . 2]" 1
1602 1 93 SER HB3 1 94 PRO HA . . 4.830 3.723 3.454 3.828 . 0 0 "[ . 1 . 2]" 1
1603 1 93 SER HB3 1 95 PHE QE . . 4.940 4.312 3.790 4.883 . 0 0 "[ . 1 . 2]" 1
1604 1 93 SER HG 1 94 PRO HA . . 4.290 2.651 2.119 3.109 . 0 0 "[ . 1 . 2]" 1
1605 1 94 PRO HA 1 95 PHE H . . 2.970 2.378 2.252 2.538 . 0 0 "[ . 1 . 2]" 1
1606 1 94 PRO HA 1 95 PHE QD . . 4.450 3.549 2.845 4.198 . 0 0 "[ . 1 . 2]" 1
1607 1 94 PRO HB2 1 95 PHE H . . 4.080 2.686 2.285 3.037 . 0 0 "[ . 1 . 2]" 1
1608 1 94 PRO HB3 1 95 PHE H . . 3.970 3.497 3.296 3.687 . 0 0 "[ . 1 . 2]" 1
1609 1 95 PHE H 1 95 PHE HB2 . . 3.880 2.440 2.310 2.635 . 0 0 "[ . 1 . 2]" 1
1610 1 95 PHE H 1 95 PHE QB . . 3.250 2.405 2.283 2.586 . 0 0 "[ . 1 . 2]" 1
1611 1 95 PHE H 1 95 PHE HB3 . . 3.880 3.651 3.576 3.759 . 0 0 "[ . 1 . 2]" 1
1612 1 95 PHE H 1 95 PHE QD . . 3.370 2.684 2.308 3.142 . 0 0 "[ . 1 . 2]" 1
1613 1 95 PHE HA 1 95 PHE QD . . 3.790 2.886 2.513 3.117 . 0 0 "[ . 1 . 2]" 1
1614 1 95 PHE HA 1 96 LYS H . . 2.850 2.271 2.169 2.382 . 0 0 "[ . 1 . 2]" 1
1615 1 95 PHE HA 1 96 LYS QB . . 5.340 4.257 4.083 4.457 . 0 0 "[ . 1 . 2]" 1
1616 1 95 PHE QB 1 96 LYS H . . 3.470 2.742 2.458 3.068 . 0 0 "[ . 1 . 2]" 1
1617 1 95 PHE QB 1 97 VAL MG1 . . 4.020 3.229 3.090 3.413 . 0 0 "[ . 1 . 2]" 1
1618 1 95 PHE HB2 1 96 LYS H . . 4.140 3.960 3.725 4.131 . 0 0 "[ . 1 . 2]" 1
1619 1 95 PHE HB2 1 97 VAL MG1 . . 4.640 4.115 3.807 4.506 . 0 0 "[ . 1 . 2]" 1
1620 1 95 PHE HB3 1 96 LYS H . . 4.140 2.798 2.490 3.170 . 0 0 "[ . 1 . 2]" 1
1621 1 95 PHE HB3 1 97 VAL MG1 . . 4.640 3.381 3.205 3.551 . 0 0 "[ . 1 . 2]" 1
1622 1 95 PHE QD 1 96 LYS H . . 4.320 3.682 3.255 4.291 . 0 0 "[ . 1 . 2]" 1
1623 1 95 PHE QD 1 97 VAL MG1 . . 4.900 4.657 4.423 4.896 . 0 0 "[ . 1 . 2]" 1
1624 1 96 LYS H 1 96 LYS HB2 . . 3.910 3.208 2.418 3.868 . 0 0 "[ . 1 . 2]" 1
1625 1 96 LYS H 1 96 LYS QB . . 3.130 2.705 2.385 3.028 . 0 0 "[ . 1 . 2]" 1
1626 1 96 LYS H 1 96 LYS HB3 . . 3.910 3.316 2.863 3.793 . 0 0 "[ . 1 . 2]" 1
1627 1 96 LYS H 1 96 LYS HG2 . . 4.250 3.147 2.037 4.235 . 0 0 "[ . 1 . 2]" 1
1628 1 96 LYS H 1 96 LYS QG . . 3.630 2.554 2.024 3.317 . 0 0 "[ . 1 . 2]" 1
1629 1 96 LYS H 1 96 LYS HG3 . . 4.250 3.074 2.040 4.207 . 0 0 "[ . 1 . 2]" 1
1630 1 96 LYS H 1 97 VAL MG1 . . 4.530 3.768 3.430 4.080 . 0 0 "[ . 1 . 2]" 1
1631 1 96 LYS HA 1 96 LYS QD . . 4.340 3.688 2.216 4.335 . 0 0 "[ . 1 . 2]" 1
1632 1 96 LYS HA 1 96 LYS QG . . 3.710 2.975 2.345 3.441 . 0 0 "[ . 1 . 2]" 1
1633 1 96 LYS HA 1 97 VAL H . . 2.850 2.187 2.144 2.218 . 0 0 "[ . 1 . 2]" 1
1634 1 96 LYS HA 1 97 VAL MG1 . . 4.790 3.715 3.426 4.086 . 0 0 "[ . 1 . 2]" 1
1635 1 96 LYS QB 1 97 VAL H . . 3.750 3.028 2.879 3.293 . 0 0 "[ . 1 . 2]" 1
1636 1 96 LYS HB2 1 97 VAL H . . 4.400 3.583 2.967 4.268 . 0 0 "[ . 1 . 2]" 1
1637 1 96 LYS HB3 1 97 VAL H . . 4.400 3.682 2.953 4.358 . 0 0 "[ . 1 . 2]" 1
1638 1 97 VAL H 1 97 VAL HB . . 4.160 3.899 3.790 3.987 . 0 0 "[ . 1 . 2]" 1
1639 1 97 VAL H 1 97 VAL MG1 . . 3.750 3.120 2.890 3.265 . 0 0 "[ . 1 . 2]" 1
1640 1 97 VAL H 1 97 VAL MG2 . . 3.480 2.245 1.989 2.469 . 0 0 "[ . 1 . 2]" 1
1641 1 97 VAL H 1 98 ARG HA . . 4.980 4.676 4.527 4.811 . 0 0 "[ . 1 . 2]" 1
1642 1 97 VAL HA 1 97 VAL MG1 . . 3.480 2.306 2.148 2.459 . 0 0 "[ . 1 . 2]" 1
1643 1 97 VAL HA 1 97 VAL MG2 . . 3.700 3.193 3.182 3.203 . 0 0 "[ . 1 . 2]" 1
1644 1 97 VAL HA 1 98 ARG H . . 3.230 2.256 2.141 2.535 . 0 0 "[ . 1 . 2]" 1
1645 1 97 VAL HB 1 98 ARG H . . 3.720 2.862 2.101 3.448 . 0 0 "[ . 1 . 2]" 1
1646 1 97 VAL MG1 1 98 ARG H . . 5.210 3.801 3.426 4.056 . 0 0 "[ . 1 . 2]" 1
1647 1 97 VAL MG2 1 98 ARG H . . 5.330 3.753 3.217 4.115 . 0 0 "[ . 1 . 2]" 1
1648 1 98 ARG H 1 98 ARG HB2 . . 3.840 2.578 2.272 2.952 . 0 0 "[ . 1 . 2]" 1
1649 1 98 ARG H 1 98 ARG HB3 . . 3.840 2.948 2.731 3.646 . 0 0 "[ . 1 . 2]" 1
1650 1 98 ARG H 1 98 ARG HG2 . . 5.120 4.578 4.466 4.706 . 0 0 "[ . 1 . 2]" 1
1651 1 98 ARG H 1 98 ARG HG3 . . 5.120 4.372 3.399 4.823 . 0 0 "[ . 1 . 2]" 1
1652 1 98 ARG HA 1 99 VAL H . . 3.150 2.169 2.139 2.246 . 0 0 "[ . 1 . 2]" 1
1653 1 98 ARG HA 1 99 VAL HB . . 4.530 4.420 4.331 4.507 . 0 0 "[ . 1 . 2]" 1
1654 1 98 ARG HA 1 99 VAL MG1 . . 4.170 3.975 3.839 4.168 . 0 0 "[ . 1 . 2]" 1
1655 1 98 ARG QB 1 98 ARG QD . . 3.050 2.153 2.018 2.364 . 0 0 "[ . 1 . 2]" 1
1656 1 98 ARG QB 1 99 VAL H . . 4.280 3.606 2.911 3.875 . 0 0 "[ . 1 . 2]" 1
1657 1 98 ARG HB2 1 98 ARG HD2 . . 4.170 3.046 2.122 3.740 . 0 0 "[ . 1 . 2]" 1
1658 1 98 ARG HB2 1 98 ARG HD3 . . 4.170 3.072 2.183 3.930 . 0 0 "[ . 1 . 2]" 1
1659 1 98 ARG HB2 1 99 VAL H . . 5.040 4.381 4.177 4.536 . 0 0 "[ . 1 . 2]" 1
1660 1 98 ARG HB3 1 98 ARG HD2 . . 4.170 3.044 2.184 3.920 . 0 0 "[ . 1 . 2]" 1
1661 1 98 ARG HB3 1 98 ARG HD3 . . 4.170 2.857 2.187 3.731 . 0 0 "[ . 1 . 2]" 1
1662 1 98 ARG HB3 1 99 VAL H . . 5.040 3.854 2.971 4.214 . 0 0 "[ . 1 . 2]" 1
1663 1 98 ARG HG2 1 99 VAL H . . 4.460 3.085 2.211 4.205 . 0 0 "[ . 1 . 2]" 1
1664 1 98 ARG HG3 1 99 VAL H . . 4.460 3.873 3.058 4.462 0.002 10 0 "[ . 1 . 2]" 1
1665 1 99 VAL H 1 99 VAL HB . . 3.650 2.591 2.361 2.869 . 0 0 "[ . 1 . 2]" 1
1666 1 99 VAL H 1 99 VAL MG1 . . 4.310 2.180 1.950 2.446 . 0 0 "[ . 1 . 2]" 1
1667 1 99 VAL H 1 99 VAL MG2 . . 4.020 3.794 3.723 3.870 . 0 0 "[ . 1 . 2]" 1
1668 1 99 VAL H 1 100 GLY H . . 5.190 4.546 4.483 4.595 . 0 0 "[ . 1 . 2]" 1
1669 1 99 VAL HA 1 99 VAL MG1 . . 3.560 3.190 3.170 3.200 . 0 0 "[ . 1 . 2]" 1
1670 1 99 VAL HA 1 99 VAL MG2 . . 3.660 2.266 2.136 2.334 . 0 0 "[ . 1 . 2]" 1
1671 1 99 VAL HA 1 100 GLY H . . 2.900 2.189 2.150 2.244 . 0 0 "[ . 1 . 2]" 1
1672 1 99 VAL HA 1 100 GLY QA . . 4.400 3.934 3.914 3.987 . 0 0 "[ . 1 . 2]" 1
1673 1 99 VAL HB 1 100 GLY H . . 4.960 4.216 4.075 4.343 . 0 0 "[ . 1 . 2]" 1
1674 1 99 VAL MG1 1 100 GLY H . . 3.900 3.698 3.535 3.832 . 0 0 "[ . 1 . 2]" 1
1675 1 99 VAL MG1 1 100 GLY HA2 . . 4.470 3.811 3.417 4.261 . 0 0 "[ . 1 . 2]" 1
1676 1 99 VAL MG1 1 100 GLY HA3 . . 4.470 4.013 3.477 4.343 . 0 0 "[ . 1 . 2]" 1
1677 1 99 VAL MG2 1 100 GLY H . . 4.280 2.301 1.960 2.684 . 0 0 "[ . 1 . 2]" 1
1678 1 100 GLY H 1 101 GLU H . . 4.380 4.127 3.782 4.351 . 0 0 "[ . 1 . 2]" 1
1679 1 100 GLY QA 1 101 GLU HA . . 5.340 3.980 3.938 4.055 . 0 0 "[ . 1 . 2]" 1
1680 1 100 GLY HA2 1 101 GLU H . . 3.250 2.276 2.141 3.007 . 0 0 "[ . 1 . 2]" 1
1681 1 100 GLY HA3 1 101 GLU H . . 3.250 2.951 2.213 3.222 . 0 0 "[ . 1 . 2]" 1
1682 1 101 GLU H 1 101 GLU HB2 . . 3.840 3.307 2.323 3.819 . 0 0 "[ . 1 . 2]" 1
1683 1 101 GLU H 1 101 GLU QB . . 3.090 2.616 2.256 3.094 0.004 6 0 "[ . 1 . 2]" 1
1684 1 101 GLU H 1 101 GLU HB3 . . 3.840 2.946 2.407 3.803 . 0 0 "[ . 1 . 2]" 1
1685 1 101 GLU H 1 101 GLU QG . . 4.030 2.640 1.911 3.985 . 0 0 "[ . 1 . 2]" 1
1686 1 101 GLU HA 1 102 PRO QD . . 3.140 2.009 1.972 2.049 . 0 0 "[ . 1 . 2]" 1
1687 1 101 GLU HA 1 102 PRO QG . . 4.480 3.913 3.873 3.957 . 0 0 "[ . 1 . 2]" 1
1688 1 101 GLU QB 1 102 PRO QD . . 3.420 2.404 2.072 3.234 . 0 0 "[ . 1 . 2]" 1
1689 1 101 GLU HB2 1 102 PRO QD . . 4.260 2.745 2.090 3.854 . 0 0 "[ . 1 . 2]" 1
1690 1 101 GLU HB3 1 102 PRO QD . . 4.260 3.232 2.249 3.816 . 0 0 "[ . 1 . 2]" 1
1691 1 101 GLU QG 1 102 PRO QD . . 4.230 3.326 1.805 4.061 . 0 0 "[ . 1 . 2]" 1
1692 1 102 PRO HA 1 103 GLY QA . . 4.640 4.060 3.902 4.256 . 0 0 "[ . 1 . 2]" 1
1693 1 103 GLY QA 1 104 GLN HA . . 4.980 4.003 3.937 4.163 . 0 0 "[ . 1 . 2]" 1
1694 1 104 GLN HA 1 104 GLN QG . . 3.990 2.729 2.250 3.339 . 0 0 "[ . 1 . 2]" 1
stop_
save_