NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403116 |
1wiv   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wiv
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 826
_Distance_constraint_stats_list.Viol_count 948
_Distance_constraint_stats_list.Viol_total 927.449
_Distance_constraint_stats_list.Viol_max 0.899
_Distance_constraint_stats_list.Viol_rms 0.0284
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0489
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 GLY 0.054 0.054 4 0 "[ . 1 . 2]"
1 8 LEU 0.120 0.054 4 0 "[ . 1 . 2]"
1 9 LEU 0.337 0.151 16 0 "[ . 1 . 2]"
1 10 SER 0.115 0.115 12 0 "[ . 1 . 2]"
1 11 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 PRO 0.299 0.106 19 0 "[ . 1 . 2]"
1 16 ASP 1.802 0.821 19 2 "[ . - 1 . +2]"
1 17 ILE 3.361 0.821 19 2 "[ . - 1 . +2]"
1 18 ASP 1.063 0.070 10 0 "[ . 1 . 2]"
1 19 ALA 1.877 0.182 11 0 "[ . 1 . 2]"
1 20 PRO 5.033 0.575 18 4 "[ . - * * + 2]"
1 21 ILE 6.428 0.604 6 5 "[ .+- * * * 2]"
1 22 SER 2.338 0.604 6 1 "[ .+ 1 . 2]"
1 24 GLN 0.162 0.049 5 0 "[ . 1 . 2]"
1 25 THR 0.159 0.049 5 0 "[ . 1 . 2]"
1 26 SER 0.044 0.018 12 0 "[ . 1 . 2]"
1 27 ASP 6.011 0.786 7 3 "[ . + 1 - . *2]"
1 28 ILE 6.270 0.786 7 3 "[ . + 1 - . *2]"
1 29 ASP 0.532 0.513 13 1 "[ . 1 + . 2]"
1 30 GLN 0.015 0.003 19 0 "[ . 1 . 2]"
1 31 SER 0.000 0.000 5 0 "[ . 1 . 2]"
1 32 SER 2.558 0.899 13 1 "[ . 1 + . 2]"
1 33 VAL 0.086 0.021 17 0 "[ . 1 . 2]"
1 34 ASP 0.218 0.034 16 0 "[ . 1 . 2]"
1 35 THR 0.845 0.725 13 1 "[ . 1 + . 2]"
1 36 LEU 0.447 0.227 13 0 "[ . 1 . 2]"
1 37 LEU 2.387 0.069 20 0 "[ . 1 . 2]"
1 38 SER 0.749 0.270 12 0 "[ . 1 . 2]"
1 39 PHE 0.033 0.004 13 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PHE 0.057 0.007 12 0 "[ . 1 . 2]"
1 42 ALA 0.017 0.012 17 0 "[ . 1 . 2]"
1 43 GLU 0.053 0.006 17 0 "[ . 1 . 2]"
1 44 ASP 0.057 0.010 12 0 "[ . 1 . 2]"
1 45 VAL 0.112 0.012 17 0 "[ . 1 . 2]"
1 46 ALA 0.336 0.040 17 0 "[ . 1 . 2]"
1 47 ARG 0.593 0.054 17 0 "[ . 1 . 2]"
1 48 LYS 7.139 0.454 12 0 "[ . 1 . 2]"
1 49 ALA 0.689 0.111 17 0 "[ . 1 . 2]"
1 50 LEU 4.880 0.899 13 1 "[ . 1 + . 2]"
1 51 LYS 0.680 0.030 5 0 "[ . 1 . 2]"
1 52 ALA 0.084 0.010 9 0 "[ . 1 . 2]"
1 53 SER 0.014 0.009 9 0 "[ . 1 . 2]"
1 54 GLY 0.375 0.125 5 0 "[ . 1 . 2]"
1 55 GLY 0.454 0.125 5 0 "[ . 1 . 2]"
1 56 ASP 0.884 0.473 17 0 "[ . 1 . 2]"
1 57 ILE 6.551 0.442 9 0 "[ . 1 . 2]"
1 58 GLU 2.830 0.442 9 0 "[ . 1 . 2]"
1 59 LYS 1.937 0.473 17 0 "[ . 1 . 2]"
1 60 ALA 0.245 0.110 14 0 "[ . 1 . 2]"
1 61 THR 0.105 0.014 17 0 "[ . 1 . 2]"
1 62 ASP 1.210 0.439 17 0 "[ . 1 . 2]"
1 63 TRP 1.470 0.480 19 0 "[ . 1 . 2]"
1 64 VAL 0.202 0.021 12 0 "[ . 1 . 2]"
1 65 PHE 0.161 0.030 18 0 "[ . 1 . 2]"
1 66 ASN 2.502 0.439 17 0 "[ . 1 . 2]"
1 67 ASN 1.746 0.480 19 0 "[ . 1 . 2]"
1 68 SER 0.621 0.223 15 0 "[ . 1 . 2]"
1 69 GLY 0.690 0.231 15 0 "[ . 1 . 2]"
1 70 PRO 0.251 0.231 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY HA2 1 8 LEU H . . 3.590 2.842 2.200 3.644 0.054 4 0 "[ . 1 . 2]" 1
2 1 8 LEU H 1 8 LEU QB . . 3.610 2.822 2.472 3.012 . 0 0 "[ . 1 . 2]" 1
3 1 8 LEU H 1 8 LEU MD2 . . 5.410 4.207 1.971 4.899 . 0 0 "[ . 1 . 2]" 1
4 1 8 LEU H 1 9 LEU H . . 4.310 4.222 3.585 4.328 0.018 17 0 "[ . 1 . 2]" 1
5 1 8 LEU HA 1 8 LEU MD2 . . 4.010 3.208 2.001 3.940 . 0 0 "[ . 1 . 2]" 1
6 1 8 LEU HA 1 8 LEU HG . . 3.700 2.606 2.061 3.654 . 0 0 "[ . 1 . 2]" 1
7 1 8 LEU HA 1 9 LEU H . . 3.370 2.410 2.176 3.408 0.038 5 0 "[ . 1 . 2]" 1
8 1 8 LEU QB 1 9 LEU H . . 3.610 3.072 1.952 3.464 . 0 0 "[ . 1 . 2]" 1
9 1 8 LEU QB 1 9 LEU HA . . 4.660 4.200 3.895 4.504 . 0 0 "[ . 1 . 2]" 1
10 1 8 LEU MD2 1 9 LEU H . . 5.320 3.319 1.986 5.306 . 0 0 "[ . 1 . 2]" 1
11 1 9 LEU H 1 9 LEU HB2 . . 3.790 2.922 2.089 3.796 0.006 12 0 "[ . 1 . 2]" 1
12 1 9 LEU H 1 9 LEU HB3 . . 3.880 3.430 2.463 3.880 . 3 0 "[ . 1 . 2]" 1
13 1 9 LEU H 1 9 LEU MD1 . . 5.170 4.150 1.797 4.753 . 0 0 "[ . 1 . 2]" 1
14 1 9 LEU HA 1 9 LEU MD2 . . 3.790 2.936 1.973 3.941 0.151 16 0 "[ . 1 . 2]" 1
15 1 9 LEU HA 1 10 SER H . . 3.300 2.346 2.180 2.758 . 0 0 "[ . 1 . 2]" 1
16 1 9 LEU HB2 1 10 SER H . . 4.960 4.277 2.811 4.703 . 0 0 "[ . 1 . 2]" 1
17 1 9 LEU HB3 1 10 SER H . . 4.570 3.669 2.445 4.685 0.115 12 0 "[ . 1 . 2]" 1
18 1 10 SER QB 1 11 HIS HA . . 4.830 4.313 4.006 4.619 . 0 0 "[ . 1 . 2]" 1
19 1 12 MET H 1 12 MET HB3 . . 4.160 3.414 2.589 4.083 . 0 0 "[ . 1 . 2]" 1
20 1 13 ASP H 1 14 ASP H . . 4.670 4.016 2.100 4.659 . 0 0 "[ . 1 . 2]" 1
21 1 13 ASP HB2 1 14 ASP H . . 4.920 3.591 2.222 4.699 . 0 0 "[ . 1 . 2]" 1
22 1 14 ASP QB 1 15 PRO HD2 . . 4.270 2.687 2.092 2.921 . 0 0 "[ . 1 . 2]" 1
23 1 14 ASP QB 1 15 PRO HG2 . . 4.990 4.666 4.115 4.816 . 0 0 "[ . 1 . 2]" 1
24 1 14 ASP QB 1 17 ILE MG . . 4.770 3.863 3.241 4.270 . 0 0 "[ . 1 . 2]" 1
25 1 15 PRO HA 1 16 ASP H . . 3.360 3.325 2.614 3.466 0.106 19 0 "[ . 1 . 2]" 1
26 1 15 PRO HD2 1 16 ASP H . . 4.690 2.576 2.298 4.228 . 0 0 "[ . 1 . 2]" 1
27 1 15 PRO HG2 1 16 ASP QB . . 4.690 4.008 3.678 4.416 . 0 0 "[ . 1 . 2]" 1
28 1 16 ASP H 1 16 ASP QB . . 3.920 2.942 2.405 3.278 . 0 0 "[ . 1 . 2]" 1
29 1 16 ASP H 1 17 ILE H . . 3.820 3.300 2.057 3.830 0.010 10 0 "[ . 1 . 2]" 1
30 1 16 ASP HA 1 17 ILE H . . 3.180 2.411 2.252 2.857 . 0 0 "[ . 1 . 2]" 1
31 1 16 ASP HA 1 17 ILE HG13 . . 4.900 4.063 3.369 5.721 0.821 19 2 "[ . - 1 . +2]" 1
32 1 16 ASP QB 1 17 ILE H . . 4.670 3.833 3.375 4.109 . 0 0 "[ . 1 . 2]" 1
33 1 17 ILE H 1 17 ILE HB . . 3.470 2.837 2.299 3.488 0.018 9 0 "[ . 1 . 2]" 1
34 1 17 ILE H 1 17 ILE HG12 . . 3.810 3.411 2.265 4.047 0.237 15 0 "[ . 1 . 2]" 1
35 1 17 ILE H 1 17 ILE HG13 . . 4.190 2.756 2.206 4.169 . 0 0 "[ . 1 . 2]" 1
36 1 17 ILE H 1 17 ILE MG . . 3.980 3.874 3.679 4.065 0.085 6 0 "[ . 1 . 2]" 1
37 1 17 ILE H 1 18 ASP H . . 3.880 3.813 3.484 3.950 0.070 10 0 "[ . 1 . 2]" 1
38 1 17 ILE HA 1 17 ILE HG12 . . 3.890 2.677 2.442 3.379 . 0 0 "[ . 1 . 2]" 1
39 1 17 ILE HA 1 17 ILE HG13 . . 4.170 3.227 2.648 3.880 . 0 0 "[ . 1 . 2]" 1
40 1 17 ILE HA 1 17 ILE MG . . 3.360 2.354 2.136 2.601 . 0 0 "[ . 1 . 2]" 1
41 1 17 ILE HA 1 18 ASP H . . 3.120 2.729 2.177 3.182 0.062 10 0 "[ . 1 . 2]" 1
42 1 17 ILE HA 1 19 ALA H . . 5.120 4.779 4.119 5.124 0.004 14 0 "[ . 1 . 2]" 1
43 1 17 ILE HB 1 17 ILE MD . . 3.580 2.480 2.132 3.203 . 0 0 "[ . 1 . 2]" 1
44 1 17 ILE HB 1 18 ASP H . . 4.520 3.346 1.944 4.540 0.020 14 0 "[ . 1 . 2]" 1
45 1 17 ILE HG12 1 17 ILE MG . . 3.210 2.522 2.259 3.225 0.015 19 0 "[ . 1 . 2]" 1
46 1 17 ILE HG13 1 17 ILE MG . . 3.490 3.113 2.391 3.234 . 0 0 "[ . 1 . 2]" 1
47 1 17 ILE MG 1 18 ASP H . . 4.570 2.701 1.917 3.912 . 0 0 "[ . 1 . 2]" 1
48 1 17 ILE MG 1 18 ASP HA . . 4.450 3.798 3.102 4.223 . 0 0 "[ . 1 . 2]" 1
49 1 17 ILE MG 1 18 ASP QB . . 4.960 3.790 2.911 4.480 . 0 0 "[ . 1 . 2]" 1
50 1 17 ILE MG 1 19 ALA H . . 5.250 4.188 2.806 5.257 0.007 8 0 "[ . 1 . 2]" 1
51 1 18 ASP H 1 19 ALA H . . 3.660 3.200 1.929 3.667 0.007 19 0 "[ . 1 . 2]" 1
52 1 18 ASP HA 1 19 ALA H . . 3.100 2.521 2.316 2.870 . 0 0 "[ . 1 . 2]" 1
53 1 18 ASP HA 1 19 ALA MB . . 4.590 4.037 3.694 4.370 . 0 0 "[ . 1 . 2]" 1
54 1 18 ASP QB 1 19 ALA H . . 4.450 4.006 3.776 4.077 . 0 0 "[ . 1 . 2]" 1
55 1 18 ASP QB 1 19 ALA MB . . 4.460 3.943 3.403 4.252 . 0 0 "[ . 1 . 2]" 1
56 1 19 ALA H 1 19 ALA MB . . 3.210 2.836 2.674 2.977 . 0 0 "[ . 1 . 2]" 1
57 1 19 ALA H 1 20 PRO HD2 . . 5.150 4.422 3.654 5.025 . 0 0 "[ . 1 . 2]" 1
58 1 19 ALA H 1 20 PRO HD3 . . 5.050 3.621 2.413 4.714 . 0 0 "[ . 1 . 2]" 1
59 1 19 ALA HA 1 20 PRO HD2 . . 3.440 2.518 2.191 3.110 . 0 0 "[ . 1 . 2]" 1
60 1 19 ALA HA 1 20 PRO HD3 . . 3.560 2.193 2.001 2.311 . 0 0 "[ . 1 . 2]" 1
61 1 19 ALA MB 1 20 PRO HD2 . . 4.080 2.905 1.871 3.724 . 0 0 "[ . 1 . 2]" 1
62 1 19 ALA MB 1 20 PRO HD3 . . 3.730 3.366 2.473 3.912 0.182 11 0 "[ . 1 . 2]" 1
63 1 19 ALA MB 1 21 ILE H . . 5.360 3.613 2.965 5.411 0.051 15 0 "[ . 1 . 2]" 1
64 1 20 PRO HA 1 21 ILE H . . 2.840 2.671 2.638 2.804 . 0 0 "[ . 1 . 2]" 1
65 1 20 PRO HB2 1 21 ILE H . . 4.620 3.944 1.907 4.455 . 0 0 "[ . 1 . 2]" 1
66 1 20 PRO HD3 1 21 ILE H . . 4.940 4.882 4.722 5.515 0.575 18 4 "[ . - * * + 2]" 1
67 1 20 PRO HG2 1 21 ILE H . . 5.010 4.852 3.950 5.079 0.069 19 0 "[ . 1 . 2]" 1
68 1 21 ILE H 1 21 ILE HB . . 3.390 3.042 2.577 3.426 0.036 20 0 "[ . 1 . 2]" 1
69 1 21 ILE H 1 21 ILE HG12 . . 4.030 3.410 2.173 4.013 . 0 0 "[ . 1 . 2]" 1
70 1 21 ILE H 1 21 ILE HG13 . . 3.870 3.107 2.483 4.076 0.206 20 0 "[ . 1 . 2]" 1
71 1 21 ILE H 1 21 ILE MG . . 4.030 3.963 3.818 4.055 0.025 8 0 "[ . 1 . 2]" 1
72 1 21 ILE H 1 22 SER H . . 4.090 4.031 2.943 4.119 0.029 4 0 "[ . 1 . 2]" 1
73 1 21 ILE HA 1 21 ILE MD . . 4.150 3.334 2.096 3.914 . 0 0 "[ . 1 . 2]" 1
74 1 21 ILE HA 1 21 ILE HG13 . . 4.050 3.234 2.507 3.934 . 0 0 "[ . 1 . 2]" 1
75 1 21 ILE HA 1 21 ILE MG . . 3.420 2.323 2.049 2.549 . 0 0 "[ . 1 . 2]" 1
76 1 21 ILE HA 1 22 SER H . . 2.990 2.478 2.176 3.034 0.044 16 0 "[ . 1 . 2]" 1
77 1 21 ILE HA 1 22 SER HB2 . . 4.810 4.571 3.828 5.414 0.604 6 1 "[ .+ 1 . 2]" 1
78 1 21 ILE HB 1 22 SER H . . 4.340 3.672 2.141 4.347 0.007 12 0 "[ . 1 . 2]" 1
79 1 21 ILE HG12 1 21 ILE MG . . 3.660 2.606 2.065 3.236 . 0 0 "[ . 1 . 2]" 1
80 1 21 ILE HG13 1 21 ILE MG . . 3.340 2.980 2.409 3.240 . 0 0 "[ . 1 . 2]" 1
81 1 21 ILE MG 1 22 SER H . . 4.230 2.516 1.867 4.125 . 0 0 "[ . 1 . 2]" 1
82 1 21 ILE MG 1 22 SER HA . . 4.830 3.875 3.067 4.430 . 0 0 "[ . 1 . 2]" 1
83 1 21 ILE MG 1 22 SER HB3 . . 4.900 4.405 3.046 5.116 0.216 3 0 "[ . 1 . 2]" 1
84 1 22 SER H 1 22 SER HB2 . . 3.660 3.028 2.069 3.860 0.200 18 0 "[ . 1 . 2]" 1
85 1 22 SER H 1 22 SER HB3 . . 3.840 3.195 2.327 3.837 . 0 0 "[ . 1 . 2]" 1
86 1 24 GLN H 1 24 GLN HG3 . . 5.040 4.006 2.538 4.724 . 0 0 "[ . 1 . 2]" 1
87 1 24 GLN HA 1 24 GLN HG2 . . 4.150 2.939 2.001 4.079 . 0 0 "[ . 1 . 2]" 1
88 1 24 GLN HA 1 25 THR H . . 3.180 2.382 2.204 2.636 . 0 0 "[ . 1 . 2]" 1
89 1 24 GLN HB2 1 24 GLN HE22 . . 5.430 4.213 3.471 4.967 . 0 0 "[ . 1 . 2]" 1
90 1 24 GLN HB2 1 24 GLN HG3 . . 3.020 2.636 2.273 3.033 0.013 2 0 "[ . 1 . 2]" 1
91 1 24 GLN HB2 1 25 THR H . . 4.690 4.256 2.198 4.739 0.049 5 0 "[ . 1 . 2]" 1
92 1 24 GLN HB3 1 25 THR H . . 5.150 3.774 2.773 4.520 . 0 0 "[ . 1 . 2]" 1
93 1 24 GLN HG2 1 25 THR H . . 5.220 3.851 2.031 5.173 . 0 0 "[ . 1 . 2]" 1
94 1 25 THR H 1 25 THR MG . . 4.260 3.201 2.097 4.002 . 0 0 "[ . 1 . 2]" 1
95 1 25 THR HA 1 25 THR MG . . 3.610 2.754 2.306 3.242 . 0 0 "[ . 1 . 2]" 1
96 1 25 THR HA 1 26 SER H . . 3.260 2.402 2.177 3.260 0.000 14 0 "[ . 1 . 2]" 1
97 1 25 THR HB 1 26 SER H . . 4.260 4.091 3.804 4.268 0.008 15 0 "[ . 1 . 2]" 1
98 1 25 THR MG 1 26 SER H . . 4.820 2.797 1.927 4.041 . 0 0 "[ . 1 . 2]" 1
99 1 25 THR MG 1 26 SER HA . . 4.890 4.053 3.442 4.877 . 0 0 "[ . 1 . 2]" 1
100 1 26 SER HA 1 27 ASP H . . 3.630 2.543 2.216 3.648 0.018 12 0 "[ . 1 . 2]" 1
101 1 26 SER HA 1 28 ILE H . . 4.800 3.662 2.925 4.135 . 0 0 "[ . 1 . 2]" 1
102 1 26 SER QB 1 27 ASP H . . 4.780 2.963 2.096 3.886 . 0 0 "[ . 1 . 2]" 1
103 1 26 SER QB 1 28 ILE H . . 4.940 2.857 2.013 3.877 . 0 0 "[ . 1 . 2]" 1
104 1 26 SER QB 1 28 ILE MD . . 4.130 2.848 1.951 3.942 . 0 0 "[ . 1 . 2]" 1
105 1 27 ASP H 1 27 ASP HB3 . . 4.100 3.414 2.518 4.043 . 0 0 "[ . 1 . 2]" 1
106 1 27 ASP H 1 28 ILE H . . 4.090 2.424 1.890 2.742 . 0 0 "[ . 1 . 2]" 1
107 1 27 ASP HA 1 28 ILE H . . 3.490 3.284 3.068 3.562 0.072 14 0 "[ . 1 . 2]" 1
108 1 27 ASP HB2 1 28 ILE H . . 4.150 3.795 2.855 4.233 0.083 19 0 "[ . 1 . 2]" 1
109 1 27 ASP HB2 1 28 ILE HA . . 4.820 4.931 4.132 5.606 0.786 7 3 "[ . + 1 - . *2]" 1
110 1 27 ASP HB3 1 28 ILE H . . 4.230 3.968 3.093 4.236 0.006 6 0 "[ . 1 . 2]" 1
111 1 28 ILE H 1 28 ILE HB . . 3.140 2.388 2.308 2.486 . 0 0 "[ . 1 . 2]" 1
112 1 28 ILE H 1 28 ILE MD . . 4.120 2.945 2.620 3.502 . 0 0 "[ . 1 . 2]" 1
113 1 28 ILE H 1 28 ILE HG12 . . 3.710 3.641 3.370 3.718 0.008 8 0 "[ . 1 . 2]" 1
114 1 28 ILE H 1 28 ILE HG13 . . 3.500 2.214 2.036 2.402 . 0 0 "[ . 1 . 2]" 1
115 1 28 ILE H 1 28 ILE MG . . 3.830 3.701 3.689 3.718 . 0 0 "[ . 1 . 2]" 1
116 1 28 ILE H 1 29 ASP H . . 4.380 4.360 4.294 4.385 0.005 8 0 "[ . 1 . 2]" 1
117 1 28 ILE HA 1 28 ILE MD . . 3.810 3.813 3.750 3.849 0.039 8 0 "[ . 1 . 2]" 1
118 1 28 ILE HA 1 28 ILE HG13 . . 3.970 2.570 2.387 2.910 . 0 0 "[ . 1 . 2]" 1
119 1 28 ILE HA 1 28 ILE MG . . 3.320 2.467 2.404 2.538 . 0 0 "[ . 1 . 2]" 1
120 1 28 ILE HA 1 29 ASP H . . 3.110 2.203 2.191 2.228 . 0 0 "[ . 1 . 2]" 1
121 1 28 ILE HB 1 28 ILE MD . . 3.230 2.097 1.962 2.372 . 0 0 "[ . 1 . 2]" 1
122 1 28 ILE HB 1 29 ASP H . . 4.660 4.549 4.524 4.575 . 0 0 "[ . 1 . 2]" 1
123 1 28 ILE HB 1 47 ARG HG2 . . 3.470 3.363 2.725 3.473 0.003 13 0 "[ . 1 . 2]" 1
124 1 28 ILE MD 1 47 ARG HA . . 4.470 3.389 2.571 3.821 . 0 0 "[ . 1 . 2]" 1
125 1 28 ILE MD 1 47 ARG HD3 . . 4.770 4.373 3.551 4.772 0.002 6 0 "[ . 1 . 2]" 1
126 1 28 ILE MD 1 47 ARG HG2 . . 3.860 2.709 1.966 3.482 . 0 0 "[ . 1 . 2]" 1
127 1 28 ILE MD 1 50 LEU H . . 4.790 4.561 3.879 4.795 0.005 17 0 "[ . 1 . 2]" 1
128 1 28 ILE MD 1 51 LYS H . . 4.670 3.607 2.843 4.037 . 0 0 "[ . 1 . 2]" 1
129 1 28 ILE MD 1 51 LYS HA . . 4.570 2.322 1.958 2.799 . 0 0 "[ . 1 . 2]" 1
130 1 28 ILE MD 1 51 LYS HB2 . . 3.550 2.034 1.941 2.242 . 0 0 "[ . 1 . 2]" 1
131 1 28 ILE MD 1 51 LYS HB3 . . 4.670 3.329 2.944 3.593 . 0 0 "[ . 1 . 2]" 1
132 1 28 ILE MD 1 51 LYS HD2 . . 4.440 3.863 3.700 4.021 . 0 0 "[ . 1 . 2]" 1
133 1 28 ILE MD 1 51 LYS HE3 . . 4.530 2.594 2.322 3.043 . 0 0 "[ . 1 . 2]" 1
134 1 28 ILE MD 1 51 LYS HG3 . . 4.690 3.686 3.352 3.953 . 0 0 "[ . 1 . 2]" 1
135 1 28 ILE HG12 1 28 ILE MG . . 3.390 2.195 2.016 2.430 . 0 0 "[ . 1 . 2]" 1
136 1 28 ILE HG12 1 47 ARG HA . . 4.840 3.956 3.358 4.426 . 0 0 "[ . 1 . 2]" 1
137 1 28 ILE HG12 1 51 LYS HB2 . . 4.270 3.780 3.399 4.270 0.000 4 0 "[ . 1 . 2]" 1
138 1 28 ILE HG13 1 28 ILE MG . . 3.390 3.157 3.102 3.233 . 0 0 "[ . 1 . 2]" 1
139 1 28 ILE HG13 1 50 LEU HB3 . . 4.430 4.096 3.465 4.427 . 0 0 "[ . 1 . 2]" 1
140 1 28 ILE HG13 1 51 LYS HE3 . . 4.770 4.739 4.648 4.775 0.005 17 0 "[ . 1 . 2]" 1
141 1 28 ILE MG 1 29 ASP H . . 3.920 3.200 3.052 3.382 . 0 0 "[ . 1 . 2]" 1
142 1 28 ILE MG 1 47 ARG HA . . 4.310 2.307 2.077 2.571 . 0 0 "[ . 1 . 2]" 1
143 1 28 ILE MG 1 47 ARG HB3 . . 4.810 3.695 3.437 4.004 . 0 0 "[ . 1 . 2]" 1
144 1 28 ILE MG 1 47 ARG HG2 . . 4.060 2.094 1.875 2.460 . 0 0 "[ . 1 . 2]" 1
145 1 28 ILE MG 1 50 LEU HB2 . . 2.970 2.125 1.950 2.403 . 0 0 "[ . 1 . 2]" 1
146 1 28 ILE MG 1 50 LEU HB3 . . 3.630 2.486 1.983 3.091 . 0 0 "[ . 1 . 2]" 1
147 1 28 ILE MG 1 50 LEU HG . . 4.260 4.086 3.786 4.255 . 0 0 "[ . 1 . 2]" 1
148 1 29 ASP H 1 29 ASP HB2 . . 3.830 2.760 2.539 2.888 . 0 0 "[ . 1 . 2]" 1
149 1 29 ASP H 1 29 ASP HB3 . . 3.750 3.524 3.498 3.566 . 0 0 "[ . 1 . 2]" 1
150 1 29 ASP HA 1 30 GLN HB3 . . 4.930 4.813 4.727 4.896 . 0 0 "[ . 1 . 2]" 1
151 1 29 ASP HA 1 31 SER H . . 4.420 4.091 3.893 4.375 . 0 0 "[ . 1 . 2]" 1
152 1 29 ASP HB2 1 31 SER H . . 3.910 3.626 3.326 3.910 0.000 5 0 "[ . 1 . 2]" 1
153 1 29 ASP HB2 1 32 SER H . . 4.910 2.230 2.090 2.355 . 0 0 "[ . 1 . 2]" 1
154 1 29 ASP HB2 1 32 SER HB2 . . 4.520 2.643 2.131 3.628 . 0 0 "[ . 1 . 2]" 1
155 1 29 ASP HB2 1 32 SER HB3 . . 4.990 3.709 2.096 3.992 . 0 0 "[ . 1 . 2]" 1
156 1 29 ASP HB3 1 30 GLN H . . 5.420 3.182 2.854 3.415 . 0 0 "[ . 1 . 2]" 1
157 1 29 ASP HB3 1 31 SER H . . 3.850 3.096 2.667 3.416 . 0 0 "[ . 1 . 2]" 1
158 1 29 ASP HB3 1 32 SER HB2 . . 4.740 4.308 3.850 5.253 0.513 13 1 "[ . 1 + . 2]" 1
159 1 30 GLN H 1 30 GLN HB2 . . 4.120 2.443 2.312 2.555 . 0 0 "[ . 1 . 2]" 1
160 1 30 GLN H 1 30 GLN HB3 . . 4.170 2.534 2.463 2.648 . 0 0 "[ . 1 . 2]" 1
161 1 30 GLN H 1 30 GLN HG3 . . 4.720 4.392 4.371 4.426 . 0 0 "[ . 1 . 2]" 1
162 1 30 GLN H 1 31 SER H . . 4.050 2.647 2.336 2.850 . 0 0 "[ . 1 . 2]" 1
163 1 30 GLN HA 1 30 GLN HE22 . . 5.220 3.602 3.323 4.072 . 0 0 "[ . 1 . 2]" 1
164 1 30 GLN HA 1 30 GLN HG3 . . 4.150 2.755 2.683 2.860 . 0 0 "[ . 1 . 2]" 1
165 1 30 GLN HA 1 32 SER H . . 5.010 4.127 4.042 4.191 . 0 0 "[ . 1 . 2]" 1
166 1 30 GLN HA 1 33 VAL HB . . 3.830 2.925 2.792 3.037 . 0 0 "[ . 1 . 2]" 1
167 1 30 GLN HA 1 33 VAL MG2 . . 3.890 2.748 2.085 3.102 . 0 0 "[ . 1 . 2]" 1
168 1 30 GLN HB2 1 30 GLN HG2 . . 2.680 2.666 2.591 2.683 0.003 19 0 "[ . 1 . 2]" 1
169 1 30 GLN HB2 1 31 SER H . . 4.570 3.942 3.822 4.121 . 0 0 "[ . 1 . 2]" 1
170 1 30 GLN HB3 1 30 GLN HG2 . . 2.920 2.329 2.319 2.379 . 0 0 "[ . 1 . 2]" 1
171 1 30 GLN HB3 1 31 SER H . . 3.900 2.741 2.536 3.150 . 0 0 "[ . 1 . 2]" 1
172 1 30 GLN HB3 1 31 SER HA . . 4.950 4.175 4.099 4.259 . 0 0 "[ . 1 . 2]" 1
173 1 30 GLN HE21 1 30 GLN HG3 . . 3.310 2.181 2.102 2.347 . 0 0 "[ . 1 . 2]" 1
174 1 30 GLN HE21 1 33 VAL HB . . 4.490 2.691 2.272 3.652 . 0 0 "[ . 1 . 2]" 1
175 1 30 GLN HE21 1 33 VAL MG1 . . 4.360 3.125 2.865 3.697 . 0 0 "[ . 1 . 2]" 1
176 1 30 GLN HE22 1 30 GLN HG3 . . 3.770 3.478 3.445 3.547 . 0 0 "[ . 1 . 2]" 1
177 1 30 GLN HE22 1 33 VAL HB . . 4.390 3.842 3.520 4.356 . 0 0 "[ . 1 . 2]" 1
178 1 30 GLN HE22 1 33 VAL MG1 . . 3.800 3.439 3.031 3.801 0.001 10 0 "[ . 1 . 2]" 1
179 1 30 GLN HE22 1 33 VAL MG2 . . 5.250 3.817 3.469 4.454 . 0 0 "[ . 1 . 2]" 1
180 1 30 GLN HG3 1 31 SER H . . 4.760 4.061 3.919 4.376 . 0 0 "[ . 1 . 2]" 1
181 1 30 GLN HG3 1 31 SER HA . . 4.980 3.931 3.825 4.135 . 0 0 "[ . 1 . 2]" 1
182 1 30 GLN HG3 1 33 VAL MG1 . . 4.810 4.697 4.511 4.813 0.003 13 0 "[ . 1 . 2]" 1
183 1 30 GLN HG3 1 34 ASP HB2 . . 4.170 3.972 3.742 4.171 0.001 7 0 "[ . 1 . 2]" 1
184 1 31 SER H 1 31 SER QB . . 3.310 2.272 1.997 2.891 . 0 0 "[ . 1 . 2]" 1
185 1 31 SER H 1 32 SER H . . 3.720 2.647 2.447 2.781 . 0 0 "[ . 1 . 2]" 1
186 1 31 SER H 1 33 VAL H . . 5.450 4.433 4.265 4.634 . 0 0 "[ . 1 . 2]" 1
187 1 31 SER H 1 33 VAL MG2 . . 5.380 5.074 4.679 5.279 . 0 0 "[ . 1 . 2]" 1
188 1 31 SER HA 1 34 ASP HB2 . . 4.590 3.410 3.114 3.834 . 0 0 "[ . 1 . 2]" 1
189 1 31 SER HA 1 34 ASP HB3 . . 3.630 3.098 2.821 3.356 . 0 0 "[ . 1 . 2]" 1
190 1 31 SER QB 1 32 SER H . . 4.560 2.899 2.835 3.036 . 0 0 "[ . 1 . 2]" 1
191 1 31 SER QB 1 32 SER HA . . 3.800 3.750 3.741 3.757 . 0 0 "[ . 1 . 2]" 1
192 1 32 SER H 1 32 SER HB2 . . 3.970 2.530 2.403 3.537 . 0 0 "[ . 1 . 2]" 1
193 1 32 SER H 1 33 VAL H . . 3.990 2.720 2.643 2.779 . 0 0 "[ . 1 . 2]" 1
194 1 32 SER H 1 35 THR H . . 4.600 4.394 4.328 4.488 . 0 0 "[ . 1 . 2]" 1
195 1 32 SER H 1 35 THR HB . . 5.110 4.900 4.704 5.099 . 0 0 "[ . 1 . 2]" 1
196 1 32 SER HA 1 34 ASP H . . 4.800 4.051 3.932 4.160 . 0 0 "[ . 1 . 2]" 1
197 1 32 SER HA 1 35 THR H . . 3.450 2.916 2.859 2.968 . 0 0 "[ . 1 . 2]" 1
198 1 32 SER HA 1 50 LEU MD2 . . 4.860 4.243 3.974 4.587 . 0 0 "[ . 1 . 2]" 1
199 1 32 SER HA 1 57 ILE MD . . 3.750 2.632 2.035 3.079 . 0 0 "[ . 1 . 2]" 1
200 1 32 SER HB2 1 33 VAL H . . 4.200 2.450 2.271 3.764 . 0 0 "[ . 1 . 2]" 1
201 1 32 SER HB2 1 33 VAL MG2 . . 4.460 3.180 2.999 4.302 . 0 0 "[ . 1 . 2]" 1
202 1 32 SER HB2 1 35 THR H . . 5.210 5.037 4.859 5.112 . 0 0 "[ . 1 . 2]" 1
203 1 32 SER HB2 1 36 LEU MD1 . . 4.590 4.491 3.137 4.594 0.004 17 0 "[ . 1 . 2]" 1
204 1 32 SER HB2 1 50 LEU MD1 . . 3.670 2.094 1.951 2.431 . 0 0 "[ . 1 . 2]" 1
205 1 32 SER HB2 1 50 LEU MD2 . . 3.640 3.101 2.159 3.507 . 0 0 "[ . 1 . 2]" 1
206 1 32 SER HB2 1 57 ILE MD . . 4.500 3.530 1.981 4.112 . 0 0 "[ . 1 . 2]" 1
207 1 32 SER HB3 1 33 VAL H . . 4.710 3.509 3.415 3.713 . 0 0 "[ . 1 . 2]" 1
208 1 32 SER HB3 1 33 VAL MG2 . . 4.700 4.190 3.981 4.462 . 0 0 "[ . 1 . 2]" 1
209 1 32 SER HB3 1 35 THR HB . . 3.790 3.800 3.646 4.515 0.725 13 1 "[ . 1 + . 2]" 1
210 1 32 SER HB3 1 36 LEU MD1 . . 4.370 3.614 3.430 4.597 0.227 13 0 "[ . 1 . 2]" 1
211 1 32 SER HB3 1 50 LEU HB2 . . 4.970 4.975 4.743 5.869 0.899 13 1 "[ . 1 + . 2]" 1
212 1 32 SER HB3 1 50 LEU MD1 . . 3.290 2.025 1.794 3.235 . 0 0 "[ . 1 . 2]" 1
213 1 32 SER HB3 1 50 LEU MD2 . . 3.320 2.234 1.982 3.273 . 0 0 "[ . 1 . 2]" 1
214 1 32 SER HB3 1 57 ILE MD . . 3.750 2.210 1.879 3.438 . 0 0 "[ . 1 . 2]" 1
215 1 32 SER HB3 1 57 ILE HG12 . . 4.810 3.425 2.716 4.275 . 0 0 "[ . 1 . 2]" 1
216 1 32 SER HB3 1 57 ILE HG13 . . 4.360 4.080 3.529 4.486 0.126 1 0 "[ . 1 . 2]" 1
217 1 33 VAL H 1 33 VAL HB . . 3.650 2.465 2.405 2.601 . 0 0 "[ . 1 . 2]" 1
218 1 33 VAL H 1 33 VAL MG1 . . 4.370 3.702 3.689 3.708 . 0 0 "[ . 1 . 2]" 1
219 1 33 VAL H 1 33 VAL MG2 . . 3.550 1.957 1.915 2.096 . 0 0 "[ . 1 . 2]" 1
220 1 33 VAL H 1 34 ASP H . . 4.220 2.827 2.774 2.890 . 0 0 "[ . 1 . 2]" 1
221 1 33 VAL H 1 50 LEU MD1 . . 4.770 2.680 2.452 2.825 . 0 0 "[ . 1 . 2]" 1
222 1 33 VAL HA 1 33 VAL MG1 . . 3.660 2.464 2.377 2.516 . 0 0 "[ . 1 . 2]" 1
223 1 33 VAL HA 1 36 LEU HB2 . . 4.630 3.295 3.117 3.444 . 0 0 "[ . 1 . 2]" 1
224 1 33 VAL HA 1 36 LEU HB3 . . 5.100 4.949 4.751 5.103 0.003 13 0 "[ . 1 . 2]" 1
225 1 33 VAL HA 1 36 LEU MD1 . . 4.810 3.139 2.882 3.398 . 0 0 "[ . 1 . 2]" 1
226 1 33 VAL HA 1 46 ALA MB . . 4.220 2.177 1.995 2.485 . 0 0 "[ . 1 . 2]" 1
227 1 33 VAL HA 1 50 LEU MD1 . . 4.190 2.013 1.887 2.217 . 0 0 "[ . 1 . 2]" 1
228 1 33 VAL HB 1 34 ASP H . . 3.710 2.812 2.735 2.902 . 0 0 "[ . 1 . 2]" 1
229 1 33 VAL HB 1 47 ARG HG3 . . 5.130 4.079 3.894 4.345 . 0 0 "[ . 1 . 2]" 1
230 1 33 VAL HB 1 50 LEU MD1 . . 4.970 3.957 3.751 4.180 . 0 0 "[ . 1 . 2]" 1
231 1 33 VAL MG1 1 34 ASP H . . 4.230 3.629 3.575 3.776 . 0 0 "[ . 1 . 2]" 1
232 1 33 VAL MG1 1 34 ASP HA . . 4.780 3.595 3.500 3.776 . 0 0 "[ . 1 . 2]" 1
233 1 33 VAL MG1 1 37 LEU HG . . 3.290 2.938 2.735 3.109 . 0 0 "[ . 1 . 2]" 1
234 1 33 VAL MG1 1 43 GLU HG2 . . 3.200 2.092 1.900 2.339 . 0 0 "[ . 1 . 2]" 1
235 1 33 VAL MG1 1 46 ALA MB . . 2.810 2.073 1.837 2.306 . 0 0 "[ . 1 . 2]" 1
236 1 33 VAL MG1 1 47 ARG H . . 4.890 3.334 2.945 3.588 . 0 0 "[ . 1 . 2]" 1
237 1 33 VAL MG1 1 47 ARG HA . . 4.070 3.512 3.057 3.722 . 0 0 "[ . 1 . 2]" 1
238 1 33 VAL MG1 1 47 ARG HB2 . . 4.350 3.506 3.118 3.876 . 0 0 "[ . 1 . 2]" 1
239 1 33 VAL MG1 1 47 ARG HB3 . . 4.550 4.517 4.266 4.553 0.003 16 0 "[ . 1 . 2]" 1
240 1 33 VAL MG1 1 47 ARG HG3 . . 3.280 2.229 1.809 3.004 . 0 0 "[ . 1 . 2]" 1
241 1 33 VAL MG2 1 34 ASP H . . 4.660 3.948 3.787 4.032 . 0 0 "[ . 1 . 2]" 1
242 1 33 VAL MG2 1 47 ARG H . . 5.170 3.947 3.572 4.410 . 0 0 "[ . 1 . 2]" 1
243 1 33 VAL MG2 1 47 ARG HA . . 3.880 2.471 2.198 2.925 . 0 0 "[ . 1 . 2]" 1
244 1 33 VAL MG2 1 47 ARG HB2 . . 4.480 3.836 3.274 4.274 . 0 0 "[ . 1 . 2]" 1
245 1 33 VAL MG2 1 47 ARG HB3 . . 4.100 4.099 4.064 4.121 0.021 17 0 "[ . 1 . 2]" 1
246 1 33 VAL MG2 1 47 ARG HD2 . . 4.420 3.355 2.859 3.825 . 0 0 "[ . 1 . 2]" 1
247 1 33 VAL MG2 1 47 ARG HG3 . . 3.460 1.861 1.768 1.982 . 0 0 "[ . 1 . 2]" 1
248 1 33 VAL MG2 1 50 LEU HB2 . . 4.090 3.304 2.965 3.489 . 0 0 "[ . 1 . 2]" 1
249 1 33 VAL MG2 1 50 LEU HB3 . . 4.360 4.041 3.596 4.271 . 0 0 "[ . 1 . 2]" 1
250 1 33 VAL MG2 1 50 LEU MD1 . . 2.800 2.037 1.839 2.307 . 0 0 "[ . 1 . 2]" 1
251 1 34 ASP H 1 34 ASP HB2 . . 4.050 2.394 2.193 2.636 . 0 0 "[ . 1 . 2]" 1
252 1 34 ASP H 1 34 ASP HB3 . . 3.980 2.575 2.332 2.807 . 0 0 "[ . 1 . 2]" 1
253 1 34 ASP H 1 35 THR H . . 3.740 2.410 2.347 2.469 . 0 0 "[ . 1 . 2]" 1
254 1 34 ASP H 1 36 LEU H . . 5.500 3.933 3.906 3.961 . 0 0 "[ . 1 . 2]" 1
255 1 34 ASP H 1 37 LEU HG . . 5.070 4.750 4.646 4.833 . 0 0 "[ . 1 . 2]" 1
256 1 34 ASP HA 1 37 LEU H . . 5.140 2.827 2.728 2.916 . 0 0 "[ . 1 . 2]" 1
257 1 34 ASP HA 1 37 LEU HB2 . . 3.670 2.090 2.001 2.192 . 0 0 "[ . 1 . 2]" 1
258 1 34 ASP HA 1 37 LEU HB3 . . 4.780 3.591 3.507 3.672 . 0 0 "[ . 1 . 2]" 1
259 1 34 ASP HA 1 37 LEU MD1 . . 3.690 1.883 1.866 1.952 . 0 0 "[ . 1 . 2]" 1
260 1 34 ASP HA 1 37 LEU MD2 . . 3.950 3.961 3.947 3.984 0.034 16 0 "[ . 1 . 2]" 1
261 1 34 ASP HA 1 37 LEU HG . . 3.960 2.666 2.575 2.761 . 0 0 "[ . 1 . 2]" 1
262 1 34 ASP HA 1 38 SER H . . 4.550 4.357 4.211 4.551 0.001 8 0 "[ . 1 . 2]" 1
263 1 34 ASP HB2 1 35 THR H . . 4.010 3.788 3.488 4.010 0.000 6 0 "[ . 1 . 2]" 1
264 1 34 ASP HB2 1 37 LEU MD1 . . 4.470 3.183 3.006 3.390 . 0 0 "[ . 1 . 2]" 1
265 1 34 ASP HB3 1 35 THR H . . 3.630 2.696 2.535 2.877 . 0 0 "[ . 1 . 2]" 1
266 1 35 THR H 1 35 THR HB . . 3.100 2.419 2.362 2.488 . 0 0 "[ . 1 . 2]" 1
267 1 35 THR H 1 35 THR MG . . 4.110 3.671 3.661 3.675 . 0 0 "[ . 1 . 2]" 1
268 1 35 THR H 1 36 LEU H . . 3.690 2.719 2.626 2.818 . 0 0 "[ . 1 . 2]" 1
269 1 35 THR H 1 36 LEU HB2 . . 5.500 4.770 4.623 4.903 . 0 0 "[ . 1 . 2]" 1
270 1 35 THR H 1 36 LEU HG . . 5.360 5.015 4.824 5.204 . 0 0 "[ . 1 . 2]" 1
271 1 35 THR H 1 57 ILE MD . . 5.180 3.839 3.411 4.793 . 0 0 "[ . 1 . 2]" 1
272 1 35 THR HA 1 35 THR MG . . 3.610 2.441 2.372 2.501 . 0 0 "[ . 1 . 2]" 1
273 1 35 THR HA 1 38 SER H . . 4.330 3.875 3.777 3.964 . 0 0 "[ . 1 . 2]" 1
274 1 35 THR HB 1 36 LEU H . . 3.800 3.079 3.005 3.132 . 0 0 "[ . 1 . 2]" 1
275 1 35 THR HB 1 36 LEU HA . . 4.600 4.596 4.545 4.639 0.039 16 0 "[ . 1 . 2]" 1
276 1 35 THR HB 1 36 LEU HB2 . . 5.040 4.668 4.582 4.808 . 0 0 "[ . 1 . 2]" 1
277 1 35 THR HB 1 36 LEU MD1 . . 4.440 4.028 3.483 4.286 . 0 0 "[ . 1 . 2]" 1
278 1 35 THR HB 1 36 LEU MD2 . . 5.070 4.986 4.835 5.072 0.002 8 0 "[ . 1 . 2]" 1
279 1 35 THR HB 1 36 LEU HG . . 4.560 3.596 3.419 3.688 . 0 0 "[ . 1 . 2]" 1
280 1 35 THR HB 1 57 ILE MD . . 3.690 2.016 1.793 3.055 . 0 0 "[ . 1 . 2]" 1
281 1 35 THR HB 1 57 ILE HG12 . . 4.890 4.233 3.851 4.533 . 0 0 "[ . 1 . 2]" 1
282 1 35 THR HB 1 57 ILE MG . . 4.680 3.687 3.230 4.254 . 0 0 "[ . 1 . 2]" 1
283 1 35 THR MG 1 36 LEU H . . 4.470 3.915 3.797 3.983 . 0 0 "[ . 1 . 2]" 1
284 1 35 THR MG 1 36 LEU HA . . 4.550 3.923 3.768 4.031 . 0 0 "[ . 1 . 2]" 1
285 1 35 THR MG 1 36 LEU HB2 . . 5.400 5.206 5.071 5.318 . 0 0 "[ . 1 . 2]" 1
286 1 35 THR MG 1 36 LEU HG . . 4.730 3.680 3.493 3.823 . 0 0 "[ . 1 . 2]" 1
287 1 35 THR MG 1 39 PHE QD . . 4.640 3.575 3.403 3.771 . 0 0 "[ . 1 . 2]" 1
288 1 35 THR MG 1 39 PHE QE . . 3.780 2.657 2.538 2.867 . 0 0 "[ . 1 . 2]" 1
289 1 35 THR MG 1 39 PHE HZ . . 3.630 3.626 3.599 3.634 0.004 15 0 "[ . 1 . 2]" 1
290 1 35 THR MG 1 57 ILE HG12 . . 4.540 3.687 3.425 3.949 . 0 0 "[ . 1 . 2]" 1
291 1 36 LEU H 1 36 LEU HB2 . . 3.800 2.279 2.242 2.384 . 0 0 "[ . 1 . 2]" 1
292 1 36 LEU H 1 36 LEU MD1 . . 4.350 3.466 3.106 3.609 . 0 0 "[ . 1 . 2]" 1
293 1 36 LEU H 1 36 LEU MD2 . . 4.840 4.202 4.123 4.260 . 0 0 "[ . 1 . 2]" 1
294 1 36 LEU H 1 36 LEU HG . . 3.990 3.092 2.965 3.203 . 0 0 "[ . 1 . 2]" 1
295 1 36 LEU H 1 37 LEU H . . 4.610 2.151 2.119 2.194 . 0 0 "[ . 1 . 2]" 1
296 1 36 LEU H 1 38 SER H . . 5.220 4.156 4.044 4.285 . 0 0 "[ . 1 . 2]" 1
297 1 36 LEU HA 1 36 LEU MD2 . . 3.300 2.435 2.221 2.826 . 0 0 "[ . 1 . 2]" 1
298 1 36 LEU HA 1 36 LEU HG . . 4.070 2.570 2.517 2.640 . 0 0 "[ . 1 . 2]" 1
299 1 36 LEU HA 1 39 PHE HB2 . . 4.700 2.187 2.096 2.338 . 0 0 "[ . 1 . 2]" 1
300 1 36 LEU HA 1 39 PHE HB3 . . 4.440 3.660 3.564 3.800 . 0 0 "[ . 1 . 2]" 1
301 1 36 LEU HA 1 39 PHE QD . . 4.050 3.304 3.149 3.506 . 0 0 "[ . 1 . 2]" 1
302 1 36 LEU HA 1 39 PHE QE . . 5.250 4.550 4.412 4.790 . 0 0 "[ . 1 . 2]" 1
303 1 36 LEU HA 1 41 PHE QD . . 5.290 2.668 2.391 2.792 . 0 0 "[ . 1 . 2]" 1
304 1 36 LEU HA 1 46 ALA MB . . 4.840 4.493 4.296 4.624 . 0 0 "[ . 1 . 2]" 1
305 1 36 LEU HB2 1 36 LEU MD1 . . 3.570 2.085 1.966 2.197 . 0 0 "[ . 1 . 2]" 1
306 1 36 LEU HB2 1 37 LEU H . . 5.160 3.281 3.139 3.410 . 0 0 "[ . 1 . 2]" 1
307 1 36 LEU HB2 1 41 PHE HB2 . . 4.780 3.939 3.641 4.089 . 0 0 "[ . 1 . 2]" 1
308 1 36 LEU HB2 1 41 PHE QD . . 4.690 3.638 3.590 3.667 . 0 0 "[ . 1 . 2]" 1
309 1 36 LEU HB2 1 46 ALA HA . . 5.070 3.145 2.747 3.325 . 0 0 "[ . 1 . 2]" 1
310 1 36 LEU HB2 1 46 ALA MB . . 2.740 2.142 1.971 2.312 . 0 0 "[ . 1 . 2]" 1
311 1 36 LEU HB2 1 50 LEU MD1 . . 4.660 3.344 3.072 3.680 . 0 0 "[ . 1 . 2]" 1
312 1 36 LEU HB2 1 60 ALA MB . . 4.710 4.699 4.598 4.725 0.015 9 0 "[ . 1 . 2]" 1
313 1 36 LEU HB3 1 36 LEU MD1 . . 2.970 2.651 2.563 2.786 . 0 0 "[ . 1 . 2]" 1
314 1 36 LEU HB3 1 36 LEU MD2 . . 3.190 2.163 1.958 2.302 . 0 0 "[ . 1 . 2]" 1
315 1 36 LEU HB3 1 41 PHE HB2 . . 3.960 2.608 2.325 2.747 . 0 0 "[ . 1 . 2]" 1
316 1 36 LEU HB3 1 41 PHE HB3 . . 3.920 3.801 3.500 3.925 0.005 9 0 "[ . 1 . 2]" 1
317 1 36 LEU HB3 1 41 PHE QD . . 3.750 1.999 1.995 2.009 . 0 0 "[ . 1 . 2]" 1
318 1 36 LEU HB3 1 46 ALA HA . . 5.200 3.165 2.650 3.339 . 0 0 "[ . 1 . 2]" 1
319 1 36 LEU HB3 1 50 LEU MD1 . . 4.930 4.573 4.301 4.882 . 0 0 "[ . 1 . 2]" 1
320 1 36 LEU HB3 1 57 ILE MD . . 4.710 4.430 4.192 4.731 0.021 9 0 "[ . 1 . 2]" 1
321 1 36 LEU MD1 1 41 PHE QD . . 4.380 4.048 3.936 4.344 . 0 0 "[ . 1 . 2]" 1
322 1 36 LEU MD1 1 46 ALA H . . 4.720 4.677 4.526 4.723 0.003 4 0 "[ . 1 . 2]" 1
323 1 36 LEU MD1 1 46 ALA HA . . 3.760 2.281 2.163 2.395 . 0 0 "[ . 1 . 2]" 1
324 1 36 LEU MD1 1 46 ALA MB . . 2.960 2.632 2.407 2.842 . 0 0 "[ . 1 . 2]" 1
325 1 36 LEU MD1 1 49 ALA MB . . 3.500 2.569 2.218 2.875 . 0 0 "[ . 1 . 2]" 1
326 1 36 LEU MD1 1 50 LEU H . . 4.180 3.643 3.322 3.864 . 0 0 "[ . 1 . 2]" 1
327 1 36 LEU MD1 1 50 LEU HB2 . . 4.500 4.006 3.779 4.329 . 0 0 "[ . 1 . 2]" 1
328 1 36 LEU MD1 1 50 LEU MD1 . . 3.060 1.959 1.714 2.239 . 0 0 "[ . 1 . 2]" 1
329 1 36 LEU MD1 1 50 LEU MD2 . . 2.900 2.127 1.854 2.564 . 0 0 "[ . 1 . 2]" 1
330 1 36 LEU MD1 1 50 LEU HG . . 3.240 2.140 1.962 2.389 . 0 0 "[ . 1 . 2]" 1
331 1 36 LEU MD1 1 57 ILE HA . . 4.560 3.038 2.508 3.362 . 0 0 "[ . 1 . 2]" 1
332 1 36 LEU MD1 1 60 ALA MB . . 3.010 1.825 1.761 1.935 . 0 0 "[ . 1 . 2]" 1
333 1 36 LEU MD2 1 39 PHE HB2 . . 5.010 3.215 2.800 3.736 . 0 0 "[ . 1 . 2]" 1
334 1 36 LEU MD2 1 39 PHE QD . . 3.810 3.128 2.853 3.547 . 0 0 "[ . 1 . 2]" 1
335 1 36 LEU MD2 1 39 PHE QE . . 4.510 3.896 3.649 4.241 . 0 0 "[ . 1 . 2]" 1
336 1 36 LEU MD2 1 41 PHE QD . . 3.370 2.145 1.996 2.442 . 0 0 "[ . 1 . 2]" 1
337 1 36 LEU MD2 1 41 PHE QE . . 3.930 2.209 1.952 2.695 . 0 0 "[ . 1 . 2]" 1
338 1 36 LEU MD2 1 57 ILE HA . . 5.040 3.543 3.193 3.883 . 0 0 "[ . 1 . 2]" 1
339 1 36 LEU MD2 1 60 ALA MB . . 3.540 2.414 1.963 2.873 . 0 0 "[ . 1 . 2]" 1
340 1 36 LEU MD2 1 61 THR H . . 4.320 3.174 2.919 3.314 . 0 0 "[ . 1 . 2]" 1
341 1 36 LEU MD2 1 61 THR HA . . 3.910 2.674 2.443 2.912 . 0 0 "[ . 1 . 2]" 1
342 1 36 LEU MD2 1 61 THR MG . . 3.340 3.211 2.909 3.352 0.012 9 0 "[ . 1 . 2]" 1
343 1 36 LEU HG 1 41 PHE QD . . 4.740 4.067 3.818 4.289 . 0 0 "[ . 1 . 2]" 1
344 1 36 LEU HG 1 50 LEU MD1 . . 4.490 3.764 3.537 4.005 . 0 0 "[ . 1 . 2]" 1
345 1 36 LEU HG 1 50 LEU MD2 . . 4.640 3.838 3.409 4.464 . 0 0 "[ . 1 . 2]" 1
346 1 36 LEU HG 1 57 ILE MD . . 4.050 2.003 1.819 2.274 . 0 0 "[ . 1 . 2]" 1
347 1 36 LEU HG 1 57 ILE MG . . 4.410 2.604 2.032 3.310 . 0 0 "[ . 1 . 2]" 1
348 1 36 LEU HG 1 60 ALA MB . . 4.870 3.630 3.465 3.881 . 0 0 "[ . 1 . 2]" 1
349 1 37 LEU H 1 37 LEU HB2 . . 4.140 2.192 2.133 2.230 . 0 0 "[ . 1 . 2]" 1
350 1 37 LEU H 1 37 LEU MD1 . . 5.340 3.581 3.523 3.643 . 0 0 "[ . 1 . 2]" 1
351 1 37 LEU H 1 37 LEU MD2 . . 4.080 3.853 3.779 3.953 . 0 0 "[ . 1 . 2]" 1
352 1 37 LEU H 1 37 LEU HG . . 4.030 2.723 2.611 2.889 . 0 0 "[ . 1 . 2]" 1
353 1 37 LEU H 1 38 SER H . . 3.830 2.659 2.562 2.780 . 0 0 "[ . 1 . 2]" 1
354 1 37 LEU HA 1 37 LEU MD1 . . 4.700 3.833 3.815 3.845 . 0 0 "[ . 1 . 2]" 1
355 1 37 LEU HA 1 37 LEU MD2 . . 3.450 2.138 1.969 2.242 . 0 0 "[ . 1 . 2]" 1
356 1 37 LEU HA 1 37 LEU HG . . 3.960 2.724 2.663 2.801 . 0 0 "[ . 1 . 2]" 1
357 1 37 LEU HB2 1 37 LEU MD1 . . 3.210 2.199 2.159 2.220 . 0 0 "[ . 1 . 2]" 1
358 1 37 LEU HB2 1 37 LEU MD2 . . 3.160 3.200 3.195 3.210 0.050 5 0 "[ . 1 . 2]" 1
359 1 37 LEU HB2 1 38 SER H . . 3.610 2.791 2.574 2.910 . 0 0 "[ . 1 . 2]" 1
360 1 37 LEU HB2 1 38 SER HA . . 4.810 4.625 4.502 4.715 . 0 0 "[ . 1 . 2]" 1
361 1 37 LEU HB3 1 37 LEU MD1 . . 3.190 2.457 2.440 2.487 . 0 0 "[ . 1 . 2]" 1
362 1 37 LEU HB3 1 37 LEU MD2 . . 3.300 2.296 2.233 2.390 . 0 0 "[ . 1 . 2]" 1
363 1 37 LEU HB3 1 37 LEU HG . . 2.960 3.027 3.024 3.029 0.069 20 0 "[ . 1 . 2]" 1
364 1 37 LEU HB3 1 38 SER H . . 4.060 3.445 3.302 3.587 . 0 0 "[ . 1 . 2]" 1
365 1 37 LEU MD1 1 38 SER H . . 5.040 4.588 4.391 4.703 . 0 0 "[ . 1 . 2]" 1
366 1 37 LEU MD1 1 43 GLU HA . . 3.560 3.429 3.261 3.557 . 0 0 "[ . 1 . 2]" 1
367 1 37 LEU MD1 1 43 GLU HB2 . . 3.840 3.114 2.572 3.450 . 0 0 "[ . 1 . 2]" 1
368 1 37 LEU MD1 1 43 GLU HB3 . . 4.410 4.360 4.053 4.414 0.004 14 0 "[ . 1 . 2]" 1
369 1 37 LEU MD1 1 43 GLU HG2 . . 4.310 3.208 2.624 3.831 . 0 0 "[ . 1 . 2]" 1
370 1 37 LEU MD1 1 43 GLU HG3 . . 3.830 2.351 1.967 2.858 . 0 0 "[ . 1 . 2]" 1
371 1 37 LEU MD2 1 41 PHE HB2 . . 4.710 4.375 4.150 4.568 . 0 0 "[ . 1 . 2]" 1
372 1 37 LEU MD2 1 42 ALA HA . . 4.230 3.238 3.041 3.497 . 0 0 "[ . 1 . 2]" 1
373 1 37 LEU MD2 1 42 ALA MB . . 4.900 4.187 3.998 4.423 . 0 0 "[ . 1 . 2]" 1
374 1 37 LEU MD2 1 43 GLU H . . 4.020 2.557 2.162 2.828 . 0 0 "[ . 1 . 2]" 1
375 1 37 LEU MD2 1 43 GLU HA . . 3.280 1.976 1.923 2.129 . 0 0 "[ . 1 . 2]" 1
376 1 37 LEU MD2 1 43 GLU HB2 . . 3.450 2.177 1.929 2.596 . 0 0 "[ . 1 . 2]" 1
377 1 37 LEU MD2 1 43 GLU HB3 . . 3.900 3.498 3.188 3.813 . 0 0 "[ . 1 . 2]" 1
378 1 37 LEU MD2 1 43 GLU HG2 . . 3.760 3.382 2.830 3.762 0.002 1 0 "[ . 1 . 2]" 1
379 1 37 LEU MD2 1 43 GLU HG3 . . 3.600 2.921 2.343 3.419 . 0 0 "[ . 1 . 2]" 1
380 1 37 LEU MD2 1 46 ALA MB . . 3.480 3.102 2.822 3.310 . 0 0 "[ . 1 . 2]" 1
381 1 37 LEU HG 1 43 GLU HB2 . . 4.710 4.198 3.554 4.711 0.001 6 0 "[ . 1 . 2]" 1
382 1 37 LEU HG 1 43 GLU HG2 . . 4.500 3.937 3.420 4.481 . 0 0 "[ . 1 . 2]" 1
383 1 37 LEU HG 1 43 GLU HG3 . . 4.330 3.941 3.617 4.178 . 0 0 "[ . 1 . 2]" 1
384 1 37 LEU HG 1 46 ALA MB . . 3.530 2.953 2.776 3.105 . 0 0 "[ . 1 . 2]" 1
385 1 38 SER H 1 38 SER HB2 . . 3.580 2.197 2.028 2.742 . 0 0 "[ . 1 . 2]" 1
386 1 38 SER H 1 38 SER HB3 . . 3.280 3.039 2.254 3.550 0.270 12 0 "[ . 1 . 2]" 1
387 1 38 SER H 1 39 PHE H . . 3.890 2.625 2.508 2.790 . 0 0 "[ . 1 . 2]" 1
388 1 38 SER H 1 39 PHE QD . . 5.090 3.966 3.796 4.135 . 0 0 "[ . 1 . 2]" 1
389 1 38 SER HA 1 40 GLY H . . 4.580 4.431 4.287 4.577 . 0 0 "[ . 1 . 2]" 1
390 1 39 PHE H 1 40 GLY H . . 4.010 3.041 2.894 3.131 . 0 0 "[ . 1 . 2]" 1
391 1 39 PHE HB2 1 40 GLY H . . 5.230 2.504 2.436 2.575 . 0 0 "[ . 1 . 2]" 1
392 1 39 PHE HB2 1 41 PHE QD . . 4.050 2.559 2.471 2.694 . 0 0 "[ . 1 . 2]" 1
393 1 39 PHE HB2 1 41 PHE QE . . 4.390 2.808 2.647 3.040 . 0 0 "[ . 1 . 2]" 1
394 1 39 PHE HB3 1 40 GLY H . . 4.630 2.999 2.881 3.132 . 0 0 "[ . 1 . 2]" 1
395 1 39 PHE HB3 1 41 PHE QD . . 4.420 3.156 3.038 3.303 . 0 0 "[ . 1 . 2]" 1
396 1 39 PHE HB3 1 41 PHE QE . . 3.870 2.125 1.999 2.470 . 0 0 "[ . 1 . 2]" 1
397 1 39 PHE QD 1 41 PHE HZ . . 3.290 3.286 3.260 3.294 0.004 13 0 "[ . 1 . 2]" 1
398 1 39 PHE QD 1 61 THR MG . . 4.190 2.554 2.075 2.907 . 0 0 "[ . 1 . 2]" 1
399 1 39 PHE QE 1 61 THR MG . . 5.080 2.911 2.486 3.167 . 0 0 "[ . 1 . 2]" 1
400 1 39 PHE HZ 1 61 THR MG . . 5.270 5.024 4.571 5.270 . 0 0 "[ . 1 . 2]" 1
401 1 40 GLY H 1 41 PHE H . . 3.970 2.153 2.013 2.276 . 0 0 "[ . 1 . 2]" 1
402 1 41 PHE H 1 42 ALA HA . . 5.140 4.791 4.732 4.911 . 0 0 "[ . 1 . 2]" 1
403 1 41 PHE HB2 1 42 ALA H . . 4.520 3.685 3.481 3.836 . 0 0 "[ . 1 . 2]" 1
404 1 41 PHE HB2 1 45 VAL QG . . 4.480 3.713 3.584 3.947 . 0 0 "[ . 1 . 2]" 1
405 1 41 PHE HB2 1 46 ALA MB . . 3.940 3.097 2.925 3.258 . 0 0 "[ . 1 . 2]" 1
406 1 41 PHE HB2 1 64 VAL MG2 . . 5.170 4.193 4.004 4.353 . 0 0 "[ . 1 . 2]" 1
407 1 41 PHE HB3 1 42 ALA H . . 3.710 2.721 2.491 2.951 . 0 0 "[ . 1 . 2]" 1
408 1 41 PHE HB3 1 42 ALA MB . . 4.900 4.221 4.085 4.359 . 0 0 "[ . 1 . 2]" 1
409 1 41 PHE HB3 1 45 VAL HB . . 4.510 3.267 2.878 3.426 . 0 0 "[ . 1 . 2]" 1
410 1 41 PHE HB3 1 45 VAL QG . . 3.990 2.528 2.371 2.709 . 0 0 "[ . 1 . 2]" 1
411 1 41 PHE HB3 1 46 ALA H . . 4.160 4.079 3.884 4.161 0.001 16 0 "[ . 1 . 2]" 1
412 1 41 PHE HB3 1 46 ALA HA . . 4.980 4.178 3.862 4.334 . 0 0 "[ . 1 . 2]" 1
413 1 41 PHE HB3 1 46 ALA MB . . 3.860 3.815 3.673 3.864 0.004 16 0 "[ . 1 . 2]" 1
414 1 41 PHE HB3 1 64 VAL MG1 . . 4.790 3.398 3.201 3.577 . 0 0 "[ . 1 . 2]" 1
415 1 41 PHE HB3 1 64 VAL MG2 . . 4.960 3.298 3.100 3.450 . 0 0 "[ . 1 . 2]" 1
416 1 41 PHE QD 1 42 ALA H . . 4.790 4.046 3.912 4.167 . 0 0 "[ . 1 . 2]" 1
417 1 41 PHE QD 1 45 VAL QG . . 4.540 3.495 3.244 3.711 . 0 0 "[ . 1 . 2]" 1
418 1 41 PHE QD 1 46 ALA HA . . 4.800 4.644 4.234 4.801 0.001 5 0 "[ . 1 . 2]" 1
419 1 41 PHE QD 1 46 ALA MB . . 4.250 4.101 3.956 4.252 0.002 17 0 "[ . 1 . 2]" 1
420 1 41 PHE QD 1 61 THR HA . . 4.790 4.708 4.603 4.791 0.001 7 0 "[ . 1 . 2]" 1
421 1 41 PHE QD 1 61 THR MG . . 4.600 4.516 4.179 4.601 0.001 3 0 "[ . 1 . 2]" 1
422 1 41 PHE QD 1 64 VAL HB . . 4.690 4.550 4.282 4.697 0.007 12 0 "[ . 1 . 2]" 1
423 1 41 PHE QD 1 64 VAL MG1 . . 4.470 2.553 2.240 2.750 . 0 0 "[ . 1 . 2]" 1
424 1 41 PHE QD 1 64 VAL MG2 . . 4.290 3.428 3.202 3.557 . 0 0 "[ . 1 . 2]" 1
425 1 41 PHE QE 1 61 THR HA . . 4.810 3.581 3.372 3.750 . 0 0 "[ . 1 . 2]" 1
426 1 41 PHE QE 1 61 THR MG . . 3.710 2.638 2.251 2.775 . 0 0 "[ . 1 . 2]" 1
427 1 41 PHE QE 1 64 VAL HB . . 4.650 3.874 3.531 4.072 . 0 0 "[ . 1 . 2]" 1
428 1 41 PHE QE 1 65 PHE HZ . . 3.600 3.380 2.735 3.597 . 0 0 "[ . 1 . 2]" 1
429 1 41 PHE HZ 1 61 THR MG . . 3.700 2.291 1.970 2.659 . 0 0 "[ . 1 . 2]" 1
430 1 42 ALA H 1 42 ALA MB . . 3.060 2.090 1.953 2.169 . 0 0 "[ . 1 . 2]" 1
431 1 42 ALA H 1 44 ASP H . . 5.090 5.058 4.868 5.094 0.004 17 0 "[ . 1 . 2]" 1
432 1 42 ALA H 1 45 VAL HB . . 3.880 2.683 2.532 2.840 . 0 0 "[ . 1 . 2]" 1
433 1 42 ALA H 1 45 VAL QG . . 4.300 3.149 2.980 3.279 . 0 0 "[ . 1 . 2]" 1
434 1 42 ALA HA 1 43 GLU H . . 3.270 2.332 2.225 2.472 . 0 0 "[ . 1 . 2]" 1
435 1 42 ALA HA 1 43 GLU HB2 . . 4.750 4.443 4.315 4.590 . 0 0 "[ . 1 . 2]" 1
436 1 42 ALA HA 1 45 VAL HB . . 4.760 4.642 4.476 4.772 0.012 17 0 "[ . 1 . 2]" 1
437 1 42 ALA MB 1 43 GLU H . . 3.820 2.789 2.472 3.080 . 0 0 "[ . 1 . 2]" 1
438 1 42 ALA MB 1 44 ASP H . . 4.160 2.461 2.261 2.641 . 0 0 "[ . 1 . 2]" 1
439 1 42 ALA MB 1 44 ASP HB2 . . 5.030 3.045 2.687 4.214 . 0 0 "[ . 1 . 2]" 1
440 1 42 ALA MB 1 44 ASP HB3 . . 4.990 4.090 3.099 4.704 . 0 0 "[ . 1 . 2]" 1
441 1 42 ALA MB 1 45 VAL H . . 4.140 2.450 2.022 2.558 . 0 0 "[ . 1 . 2]" 1
442 1 42 ALA MB 1 45 VAL HB . . 3.740 2.471 2.207 2.628 . 0 0 "[ . 1 . 2]" 1
443 1 42 ALA MB 1 45 VAL QG . . 3.430 2.567 2.254 2.730 . 0 0 "[ . 1 . 2]" 1
444 1 43 GLU H 1 43 GLU HB2 . . 3.760 2.297 2.123 2.461 . 0 0 "[ . 1 . 2]" 1
445 1 43 GLU H 1 43 GLU HB3 . . 3.830 2.685 2.490 2.905 . 0 0 "[ . 1 . 2]" 1
446 1 43 GLU H 1 43 GLU HG2 . . 4.610 4.310 4.218 4.356 . 0 0 "[ . 1 . 2]" 1
447 1 43 GLU H 1 43 GLU HG3 . . 5.030 4.362 4.141 4.513 . 0 0 "[ . 1 . 2]" 1
448 1 43 GLU H 1 44 ASP H . . 4.640 2.703 2.518 2.879 . 0 0 "[ . 1 . 2]" 1
449 1 43 GLU HA 1 43 GLU HG2 . . 3.880 2.337 2.134 2.550 . 0 0 "[ . 1 . 2]" 1
450 1 43 GLU HA 1 43 GLU HG3 . . 3.710 3.103 3.033 3.198 . 0 0 "[ . 1 . 2]" 1
451 1 43 GLU HA 1 46 ALA H . . 5.210 3.404 3.238 3.534 . 0 0 "[ . 1 . 2]" 1
452 1 43 GLU HA 1 46 ALA MB . . 3.360 2.247 2.057 2.404 . 0 0 "[ . 1 . 2]" 1
453 1 43 GLU HB2 1 43 GLU HG2 . . 2.920 2.910 2.895 2.923 0.003 16 0 "[ . 1 . 2]" 1
454 1 43 GLU HB2 1 43 GLU HG3 . . 2.400 2.270 2.267 2.274 . 0 0 "[ . 1 . 2]" 1
455 1 43 GLU HB2 1 44 ASP H . . 4.520 3.941 3.738 4.140 . 0 0 "[ . 1 . 2]" 1
456 1 43 GLU HB3 1 43 GLU HG2 . . 2.910 2.861 2.846 2.878 . 0 0 "[ . 1 . 2]" 1
457 1 43 GLU HB3 1 43 GLU HG3 . . 2.990 2.910 2.896 2.923 . 0 0 "[ . 1 . 2]" 1
458 1 43 GLU HB3 1 44 ASP H . . 4.230 2.964 2.848 3.141 . 0 0 "[ . 1 . 2]" 1
459 1 43 GLU HG2 1 46 ALA MB . . 4.450 3.277 3.099 3.451 . 0 0 "[ . 1 . 2]" 1
460 1 43 GLU HG2 1 47 ARG HD2 . . 3.980 3.862 3.476 3.986 0.006 17 0 "[ . 1 . 2]" 1
461 1 43 GLU HG2 1 47 ARG HG3 . . 4.690 4.413 4.011 4.696 0.006 16 0 "[ . 1 . 2]" 1
462 1 43 GLU HG3 1 46 ALA MB . . 4.640 4.407 4.091 4.635 . 0 0 "[ . 1 . 2]" 1
463 1 44 ASP H 1 44 ASP HB2 . . 4.170 2.350 2.005 3.504 . 0 0 "[ . 1 . 2]" 1
464 1 44 ASP H 1 44 ASP HB3 . . 4.130 3.334 2.657 3.553 . 0 0 "[ . 1 . 2]" 1
465 1 44 ASP H 1 45 VAL H . . 4.780 2.654 2.566 2.761 . 0 0 "[ . 1 . 2]" 1
466 1 44 ASP HA 1 47 ARG H . . 4.850 3.456 3.352 3.676 . 0 0 "[ . 1 . 2]" 1
467 1 44 ASP HA 1 47 ARG HB2 . . 4.060 2.984 2.827 3.290 . 0 0 "[ . 1 . 2]" 1
468 1 44 ASP HA 1 47 ARG HB3 . . 4.440 4.352 3.917 4.450 0.010 12 0 "[ . 1 . 2]" 1
469 1 44 ASP HA 1 47 ARG HD3 . . 4.850 4.097 3.411 4.716 . 0 0 "[ . 1 . 2]" 1
470 1 44 ASP HA 1 48 LYS H . . 5.110 4.429 4.208 4.583 . 0 0 "[ . 1 . 2]" 1
471 1 44 ASP HB2 1 45 VAL QG . . 4.720 3.710 3.194 4.512 . 0 0 "[ . 1 . 2]" 1
472 1 44 ASP HB3 1 45 VAL QG . . 4.950 3.745 3.021 4.826 . 0 0 "[ . 1 . 2]" 1
473 1 45 VAL H 1 45 VAL HB . . 3.520 2.164 2.138 2.274 . 0 0 "[ . 1 . 2]" 1
474 1 45 VAL H 1 45 VAL QG . . 3.490 2.553 2.396 2.606 . 0 0 "[ . 1 . 2]" 1
475 1 45 VAL H 1 46 ALA H . . 4.170 2.661 2.551 2.737 . 0 0 "[ . 1 . 2]" 1
476 1 45 VAL H 1 46 ALA MB . . 4.250 4.235 4.138 4.261 0.011 19 0 "[ . 1 . 2]" 1
477 1 45 VAL HA 1 45 VAL QG . . 3.250 2.031 2.013 2.081 . 0 0 "[ . 1 . 2]" 1
478 1 45 VAL HA 1 47 ARG H . . 5.030 3.980 3.814 4.150 . 0 0 "[ . 1 . 2]" 1
479 1 45 VAL HA 1 48 LYS H . . 4.080 2.873 2.791 2.962 . 0 0 "[ . 1 . 2]" 1
480 1 45 VAL HA 1 48 LYS HB2 . . 3.670 2.038 2.016 2.057 . 0 0 "[ . 1 . 2]" 1
481 1 45 VAL HA 1 48 LYS HB3 . . 3.820 3.677 3.670 3.683 . 0 0 "[ . 1 . 2]" 1
482 1 45 VAL HA 1 48 LYS HD2 . . 4.800 4.529 4.408 4.808 0.008 16 0 "[ . 1 . 2]" 1
483 1 45 VAL HA 1 48 LYS HD3 . . 4.830 4.669 3.154 4.836 0.006 3 0 "[ . 1 . 2]" 1
484 1 45 VAL HA 1 48 LYS QE . . 4.970 2.720 2.441 4.419 . 0 0 "[ . 1 . 2]" 1
485 1 45 VAL HA 1 48 LYS HG2 . . 4.960 4.099 4.023 4.222 . 0 0 "[ . 1 . 2]" 1
486 1 45 VAL HA 1 48 LYS HG3 . . 4.380 2.587 2.497 2.733 . 0 0 "[ . 1 . 2]" 1
487 1 45 VAL HA 1 49 ALA H . . 4.930 3.641 3.544 3.796 . 0 0 "[ . 1 . 2]" 1
488 1 45 VAL HB 1 46 ALA H . . 3.570 2.931 2.851 2.997 . 0 0 "[ . 1 . 2]" 1
489 1 45 VAL HB 1 46 ALA HA . . 4.800 4.622 4.464 4.652 . 0 0 "[ . 1 . 2]" 1
490 1 45 VAL HB 1 46 ALA MB . . 4.360 4.313 4.233 4.363 0.003 1 0 "[ . 1 . 2]" 1
491 1 45 VAL QG 1 46 ALA H . . 3.980 3.111 3.035 3.243 . 0 0 "[ . 1 . 2]" 1
492 1 45 VAL QG 1 46 ALA HA . . 4.140 3.153 3.077 3.301 . 0 0 "[ . 1 . 2]" 1
493 1 45 VAL QG 1 46 ALA MB . . 4.160 3.767 3.696 3.946 . 0 0 "[ . 1 . 2]" 1
494 1 45 VAL QG 1 48 LYS HB3 . . 5.160 4.072 3.942 4.118 . 0 0 "[ . 1 . 2]" 1
495 1 45 VAL QG 1 48 LYS QE . . 5.130 2.516 2.195 4.182 . 0 0 "[ . 1 . 2]" 1
496 1 45 VAL QG 1 49 ALA H . . 4.940 3.379 3.283 3.463 . 0 0 "[ . 1 . 2]" 1
497 1 45 VAL QG 1 63 TRP HZ3 . . 4.070 2.304 1.947 2.608 . 0 0 "[ . 1 . 2]" 1
498 1 45 VAL QG 1 64 VAL MG1 . . 3.420 2.004 1.902 2.277 . 0 0 "[ . 1 . 2]" 1
499 1 45 VAL QG 1 64 VAL MG2 . . 3.120 1.874 1.809 1.911 . 0 0 "[ . 1 . 2]" 1
500 1 46 ALA H 1 46 ALA MB . . 3.140 2.113 2.021 2.161 . 0 0 "[ . 1 . 2]" 1
501 1 46 ALA H 1 47 ARG H . . 3.900 2.674 2.637 2.714 . 0 0 "[ . 1 . 2]" 1
502 1 46 ALA H 1 47 ARG HA . . 5.190 5.199 5.169 5.230 0.040 17 0 "[ . 1 . 2]" 1
503 1 46 ALA H 1 48 LYS H . . 5.100 3.915 3.773 4.177 . 0 0 "[ . 1 . 2]" 1
504 1 46 ALA HA 1 48 LYS H . . 4.990 4.344 4.043 4.771 . 0 0 "[ . 1 . 2]" 1
505 1 46 ALA HA 1 49 ALA H . . 4.540 3.682 3.463 4.004 . 0 0 "[ . 1 . 2]" 1
506 1 46 ALA HA 1 49 ALA MB . . 3.580 3.041 2.814 3.347 . 0 0 "[ . 1 . 2]" 1
507 1 46 ALA HA 1 50 LEU MD1 . . 4.540 3.666 3.388 3.984 . 0 0 "[ . 1 . 2]" 1
508 1 46 ALA HA 1 64 VAL MG2 . . 3.860 3.857 3.755 3.872 0.012 17 0 "[ . 1 . 2]" 1
509 1 46 ALA MB 1 47 ARG H . . 3.430 2.770 2.681 2.899 . 0 0 "[ . 1 . 2]" 1
510 1 46 ALA MB 1 50 LEU MD1 . . 3.630 2.887 2.638 3.305 . 0 0 "[ . 1 . 2]" 1
511 1 47 ARG H 1 47 ARG HB2 . . 3.450 2.141 2.090 2.211 . 0 0 "[ . 1 . 2]" 1
512 1 47 ARG H 1 47 ARG HB3 . . 3.630 3.327 3.068 3.485 . 0 0 "[ . 1 . 2]" 1
513 1 47 ARG H 1 47 ARG HD3 . . 4.810 4.529 4.213 4.804 . 0 0 "[ . 1 . 2]" 1
514 1 47 ARG H 1 47 ARG HG3 . . 4.610 3.391 3.011 3.884 . 0 0 "[ . 1 . 2]" 1
515 1 47 ARG H 1 48 LYS H . . 3.790 2.316 2.211 2.397 . 0 0 "[ . 1 . 2]" 1
516 1 47 ARG H 1 48 LYS HG3 . . 5.100 4.113 3.936 4.272 . 0 0 "[ . 1 . 2]" 1
517 1 47 ARG HA 1 47 ARG HD2 . . 4.560 4.459 4.327 4.578 0.018 13 0 "[ . 1 . 2]" 1
518 1 47 ARG HA 1 47 ARG HG3 . . 3.490 2.407 2.258 2.541 . 0 0 "[ . 1 . 2]" 1
519 1 47 ARG HA 1 49 ALA H . . 4.400 4.409 4.397 4.454 0.054 17 0 "[ . 1 . 2]" 1
520 1 47 ARG HA 1 50 LEU H . . 3.950 3.299 3.092 3.395 . 0 0 "[ . 1 . 2]" 1
521 1 47 ARG HA 1 50 LEU HB2 . . 3.730 2.591 2.214 2.778 . 0 0 "[ . 1 . 2]" 1
522 1 47 ARG HA 1 50 LEU HB3 . . 4.680 4.261 3.801 4.468 . 0 0 "[ . 1 . 2]" 1
523 1 47 ARG HA 1 50 LEU MD1 . . 4.550 2.940 2.399 3.415 . 0 0 "[ . 1 . 2]" 1
524 1 47 ARG HB2 1 47 ARG HD3 . . 3.070 2.498 2.260 2.689 . 0 0 "[ . 1 . 2]" 1
525 1 47 ARG HB2 1 48 LYS H . . 4.220 3.213 2.912 3.563 . 0 0 "[ . 1 . 2]" 1
526 1 47 ARG HB3 1 47 ARG HD3 . . 3.230 2.544 2.420 2.718 . 0 0 "[ . 1 . 2]" 1
527 1 47 ARG HB3 1 47 ARG HG2 . . 2.990 2.423 2.353 2.476 . 0 0 "[ . 1 . 2]" 1
528 1 48 LYS H 1 48 LYS HB2 . . 3.640 2.389 2.348 2.427 . 0 0 "[ . 1 . 2]" 1
529 1 48 LYS H 1 48 LYS HB3 . . 3.500 3.547 3.530 3.565 0.065 14 0 "[ . 1 . 2]" 1
530 1 48 LYS H 1 48 LYS HG2 . . 4.740 2.998 2.866 3.085 . 0 0 "[ . 1 . 2]" 1
531 1 48 LYS H 1 48 LYS HG3 . . 3.840 2.574 2.327 2.797 . 0 0 "[ . 1 . 2]" 1
532 1 48 LYS H 1 49 ALA H . . 3.520 2.544 2.367 2.869 . 0 0 "[ . 1 . 2]" 1
533 1 48 LYS H 1 49 ALA MB . . 4.560 4.176 4.032 4.453 . 0 0 "[ . 1 . 2]" 1
534 1 48 LYS H 1 50 LEU H . . 4.850 3.904 3.720 4.081 . 0 0 "[ . 1 . 2]" 1
535 1 48 LYS HA 1 48 LYS HG2 . . 4.140 2.260 2.218 2.309 . 0 0 "[ . 1 . 2]" 1
536 1 48 LYS HA 1 51 LYS H . . 4.280 3.342 3.183 3.524 . 0 0 "[ . 1 . 2]" 1
537 1 48 LYS HA 1 51 LYS HB2 . . 4.160 3.181 2.982 3.437 . 0 0 "[ . 1 . 2]" 1
538 1 48 LYS HA 1 51 LYS HB3 . . 3.530 2.048 1.997 2.187 . 0 0 "[ . 1 . 2]" 1
539 1 48 LYS HA 1 51 LYS HD2 . . 4.440 3.125 2.932 3.281 . 0 0 "[ . 1 . 2]" 1
540 1 48 LYS HA 1 51 LYS HG3 . . 5.100 4.806 4.722 4.956 . 0 0 "[ . 1 . 2]" 1
541 1 48 LYS HB2 1 48 LYS QE . . 4.920 2.686 2.496 3.095 . 0 0 "[ . 1 . 2]" 1
542 1 48 LYS HB2 1 49 ALA H . . 3.860 2.747 2.611 2.817 . 0 0 "[ . 1 . 2]" 1
543 1 48 LYS HB2 1 63 TRP HH2 . . 4.470 2.932 2.494 3.245 . 0 0 "[ . 1 . 2]" 1
544 1 48 LYS HB3 1 48 LYS HG3 . . 2.790 2.988 2.965 3.023 0.233 12 0 "[ . 1 . 2]" 1
545 1 48 LYS HB3 1 49 ALA H . . 3.860 3.727 3.532 3.823 . 0 0 "[ . 1 . 2]" 1
546 1 48 LYS HB3 1 63 TRP HH2 . . 3.860 2.106 1.996 2.682 . 0 0 "[ . 1 . 2]" 1
547 1 48 LYS HB3 1 63 TRP HZ3 . . 5.070 3.185 2.796 3.703 . 0 0 "[ . 1 . 2]" 1
548 1 48 LYS HD2 1 48 LYS HG3 . . 2.980 2.973 2.511 3.051 0.071 16 0 "[ . 1 . 2]" 1
549 1 48 LYS HD2 1 63 TRP HH2 . . 3.870 2.847 2.520 4.324 0.454 12 0 "[ . 1 . 2]" 1
550 1 48 LYS HD3 1 48 LYS HG3 . . 2.920 2.647 2.444 2.714 . 0 0 "[ . 1 . 2]" 1
551 1 48 LYS HD3 1 63 TRP HH2 . . 4.310 4.161 2.884 4.319 0.009 13 0 "[ . 1 . 2]" 1
552 1 48 LYS QE 1 48 LYS HG2 . . 3.760 3.230 2.437 3.413 . 0 0 "[ . 1 . 2]" 1
553 1 48 LYS QE 1 48 LYS HG3 . . 3.830 2.362 2.175 3.335 . 0 0 "[ . 1 . 2]" 1
554 1 48 LYS QE 1 49 ALA H . . 5.370 5.129 4.965 5.197 . 0 0 "[ . 1 . 2]" 1
555 1 48 LYS QE 1 63 TRP HH2 . . 5.200 2.768 1.982 3.375 . 0 0 "[ . 1 . 2]" 1
556 1 48 LYS HG2 1 49 ALA H . . 4.780 4.801 4.783 4.891 0.111 17 0 "[ . 1 . 2]" 1
557 1 48 LYS HG2 1 51 LYS HD2 . . 3.960 3.879 3.692 3.969 0.009 12 0 "[ . 1 . 2]" 1
558 1 48 LYS HG2 1 63 TRP HH2 . . 4.970 4.547 4.369 4.827 . 0 0 "[ . 1 . 2]" 1
559 1 48 LYS HG3 1 63 TRP HH2 . . 4.940 4.336 4.138 4.600 . 0 0 "[ . 1 . 2]" 1
560 1 49 ALA H 1 49 ALA MB . . 3.070 2.155 2.077 2.177 . 0 0 "[ . 1 . 2]" 1
561 1 49 ALA H 1 50 LEU H . . 3.460 2.573 2.492 2.647 . 0 0 "[ . 1 . 2]" 1
562 1 49 ALA H 1 51 LYS H . . 5.140 3.669 3.618 3.793 . 0 0 "[ . 1 . 2]" 1
563 1 49 ALA H 1 64 VAL MG2 . . 4.900 3.969 3.745 4.092 . 0 0 "[ . 1 . 2]" 1
564 1 49 ALA MB 1 50 LEU H . . 3.000 2.616 2.572 2.769 . 0 0 "[ . 1 . 2]" 1
565 1 49 ALA MB 1 53 SER HG . . 3.790 3.520 2.746 3.799 0.009 9 0 "[ . 1 . 2]" 1
566 1 49 ALA MB 1 60 ALA H . . 4.700 4.213 4.142 4.281 . 0 0 "[ . 1 . 2]" 1
567 1 49 ALA MB 1 60 ALA HA . . 3.820 1.976 1.958 1.990 . 0 0 "[ . 1 . 2]" 1
568 1 49 ALA MB 1 60 ALA MB . . 2.960 1.879 1.750 2.014 . 0 0 "[ . 1 . 2]" 1
569 1 49 ALA MB 1 63 TRP H . . 5.320 3.790 3.498 4.036 . 0 0 "[ . 1 . 2]" 1
570 1 49 ALA MB 1 63 TRP HB2 . . 4.250 3.510 3.303 3.736 . 0 0 "[ . 1 . 2]" 1
571 1 49 ALA MB 1 63 TRP HB3 . . 3.900 2.174 1.966 2.409 . 0 0 "[ . 1 . 2]" 1
572 1 49 ALA MB 1 63 TRP HE3 . . 3.380 2.117 1.917 2.343 . 0 0 "[ . 1 . 2]" 1
573 1 49 ALA MB 1 63 TRP HZ3 . . 4.330 3.398 2.755 3.711 . 0 0 "[ . 1 . 2]" 1
574 1 49 ALA MB 1 64 VAL H . . 4.800 2.945 2.725 3.337 . 0 0 "[ . 1 . 2]" 1
575 1 49 ALA MB 1 64 VAL HA . . 4.640 3.577 3.371 3.815 . 0 0 "[ . 1 . 2]" 1
576 1 49 ALA MB 1 64 VAL MG1 . . 4.120 4.116 4.065 4.141 0.021 12 0 "[ . 1 . 2]" 1
577 1 49 ALA MB 1 64 VAL MG2 . . 2.920 1.939 1.876 2.045 . 0 0 "[ . 1 . 2]" 1
578 1 50 LEU H 1 50 LEU HB2 . . 2.930 2.393 2.272 2.505 . 0 0 "[ . 1 . 2]" 1
579 1 50 LEU H 1 50 LEU HB3 . . 3.570 3.555 3.519 3.577 0.007 20 0 "[ . 1 . 2]" 1
580 1 50 LEU H 1 50 LEU MD1 . . 3.750 3.433 3.314 3.673 . 0 0 "[ . 1 . 2]" 1
581 1 50 LEU H 1 50 LEU MD2 . . 3.850 3.703 3.577 3.849 . 0 0 "[ . 1 . 2]" 1
582 1 50 LEU H 1 50 LEU HG . . 3.200 2.445 2.206 2.827 . 0 0 "[ . 1 . 2]" 1
583 1 50 LEU H 1 51 LYS H . . 3.330 2.503 2.427 2.565 . 0 0 "[ . 1 . 2]" 1
584 1 50 LEU H 1 51 LYS HA . . 5.210 4.920 4.840 5.008 . 0 0 "[ . 1 . 2]" 1
585 1 50 LEU H 1 60 ALA MB . . 4.300 3.247 3.046 3.457 . 0 0 "[ . 1 . 2]" 1
586 1 50 LEU HA 1 50 LEU MD1 . . 4.430 3.908 3.854 3.950 . 0 0 "[ . 1 . 2]" 1
587 1 50 LEU HA 1 50 LEU MD2 . . 3.370 2.130 1.970 2.293 . 0 0 "[ . 1 . 2]" 1
588 1 50 LEU HA 1 50 LEU HG . . 4.080 2.905 2.846 2.970 . 0 0 "[ . 1 . 2]" 1
589 1 50 LEU HA 1 55 GLY H . . 4.540 3.449 2.791 4.588 0.048 11 0 "[ . 1 . 2]" 1
590 1 50 LEU HA 1 60 ALA HA . . 4.360 4.268 3.981 4.368 0.008 8 0 "[ . 1 . 2]" 1
591 1 50 LEU HA 1 60 ALA MB . . 3.340 2.791 2.539 2.981 . 0 0 "[ . 1 . 2]" 1
592 1 50 LEU HB2 1 50 LEU MD1 . . 3.270 2.165 2.053 2.303 . 0 0 "[ . 1 . 2]" 1
593 1 50 LEU HB2 1 50 LEU MD2 . . 3.390 3.200 3.186 3.218 . 0 0 "[ . 1 . 2]" 1
594 1 50 LEU HB2 1 51 LYS H . . 4.080 3.574 3.114 3.818 . 0 0 "[ . 1 . 2]" 1
595 1 50 LEU HB3 1 50 LEU MD1 . . 3.410 2.550 2.462 2.639 . 0 0 "[ . 1 . 2]" 1
596 1 50 LEU HB3 1 50 LEU MD2 . . 3.450 2.316 2.203 2.377 . 0 0 "[ . 1 . 2]" 1
597 1 50 LEU HB3 1 51 LYS H . . 5.110 4.320 4.038 4.439 . 0 0 "[ . 1 . 2]" 1
598 1 50 LEU HB3 1 55 GLY H . . 5.270 3.020 2.264 5.015 . 0 0 "[ . 1 . 2]" 1
599 1 50 LEU HB3 1 55 GLY HA3 . . 4.940 4.798 4.353 4.942 0.002 3 0 "[ . 1 . 2]" 1
600 1 50 LEU MD1 1 55 GLY HA2 . . 4.750 3.983 3.302 4.393 . 0 0 "[ . 1 . 2]" 1
601 1 50 LEU MD2 1 51 LYS H . . 4.930 4.906 4.800 4.940 0.010 11 0 "[ . 1 . 2]" 1
602 1 50 LEU MD2 1 55 GLY H . . 4.790 3.152 2.487 4.079 . 0 0 "[ . 1 . 2]" 1
603 1 50 LEU MD2 1 55 GLY HA2 . . 4.520 2.507 2.062 2.780 . 0 0 "[ . 1 . 2]" 1
604 1 50 LEU MD2 1 55 GLY HA3 . . 4.160 3.860 3.357 4.161 0.001 13 0 "[ . 1 . 2]" 1
605 1 50 LEU MD2 1 57 ILE HA . . 3.810 2.411 2.117 2.656 . 0 0 "[ . 1 . 2]" 1
606 1 50 LEU MD2 1 57 ILE HB . . 4.920 4.478 4.163 4.693 . 0 0 "[ . 1 . 2]" 1
607 1 50 LEU MD2 1 57 ILE MD . . 3.680 1.917 1.616 2.349 . 0 0 "[ . 1 . 2]" 1
608 1 50 LEU MD2 1 57 ILE HG12 . . 4.190 2.962 2.346 3.671 . 0 0 "[ . 1 . 2]" 1
609 1 50 LEU MD2 1 57 ILE HG13 . . 3.850 4.015 3.601 4.210 0.360 11 0 "[ . 1 . 2]" 1
610 1 50 LEU MD2 1 57 ILE MG . . 4.060 3.739 3.444 3.968 . 0 0 "[ . 1 . 2]" 1
611 1 50 LEU MD2 1 58 GLU H . . 5.380 5.236 4.785 5.420 0.040 9 0 "[ . 1 . 2]" 1
612 1 50 LEU MD2 1 60 ALA H . . 5.220 3.708 3.426 3.977 . 0 0 "[ . 1 . 2]" 1
613 1 50 LEU MD2 1 60 ALA MB . . 2.940 1.982 1.795 2.208 . 0 0 "[ . 1 . 2]" 1
614 1 50 LEU HG 1 51 LYS H . . 5.150 4.655 4.486 4.901 . 0 0 "[ . 1 . 2]" 1
615 1 51 LYS H 1 51 LYS HB2 . . 3.490 3.086 2.866 3.204 . 0 0 "[ . 1 . 2]" 1
616 1 51 LYS H 1 51 LYS HB3 . . 3.120 2.176 2.135 2.224 . 0 0 "[ . 1 . 2]" 1
617 1 51 LYS H 1 51 LYS HD2 . . 4.830 4.840 4.817 4.851 0.021 17 0 "[ . 1 . 2]" 1
618 1 51 LYS H 1 51 LYS HG2 . . 4.170 3.970 3.897 4.110 . 0 0 "[ . 1 . 2]" 1
619 1 51 LYS H 1 51 LYS HG3 . . 4.330 4.343 4.322 4.360 0.030 5 0 "[ . 1 . 2]" 1
620 1 51 LYS HA 1 51 LYS HD2 . . 4.510 4.457 4.407 4.513 0.003 3 0 "[ . 1 . 2]" 1
621 1 51 LYS HA 1 51 LYS HE2 . . 4.930 4.711 4.430 4.915 . 0 0 "[ . 1 . 2]" 1
622 1 51 LYS HA 1 51 LYS HG2 . . 4.220 3.676 3.646 3.712 . 0 0 "[ . 1 . 2]" 1
623 1 51 LYS HA 1 51 LYS HG3 . . 4.170 2.760 2.716 2.791 . 0 0 "[ . 1 . 2]" 1
624 1 51 LYS HB2 1 51 LYS HD2 . . 3.310 2.477 2.432 2.546 . 0 0 "[ . 1 . 2]" 1
625 1 51 LYS HB2 1 52 ALA H . . 4.270 4.212 4.081 4.280 0.010 8 0 "[ . 1 . 2]" 1
626 1 51 LYS HB3 1 51 LYS HD2 . . 3.010 2.702 2.631 2.815 . 0 0 "[ . 1 . 2]" 1
627 1 51 LYS HB3 1 51 LYS HE3 . . 4.460 3.790 3.664 3.890 . 0 0 "[ . 1 . 2]" 1
628 1 51 LYS HB3 1 52 ALA H . . 4.170 2.980 2.768 3.086 . 0 0 "[ . 1 . 2]" 1
629 1 51 LYS HD3 1 51 LYS HG2 . . 2.930 2.339 2.328 2.375 . 0 0 "[ . 1 . 2]" 1
630 1 51 LYS HD3 1 51 LYS HG3 . . 2.660 2.650 2.597 2.669 0.009 11 0 "[ . 1 . 2]" 1
631 1 51 LYS HE2 1 51 LYS HG2 . . 3.880 3.760 3.685 3.851 . 0 0 "[ . 1 . 2]" 1
632 1 51 LYS HE2 1 51 LYS HG3 . . 3.820 2.746 2.628 2.907 . 0 0 "[ . 1 . 2]" 1
633 1 51 LYS HG2 1 52 ALA H . . 5.480 3.281 3.068 3.495 . 0 0 "[ . 1 . 2]" 1
634 1 51 LYS HG2 1 52 ALA MB . . 3.400 3.303 3.176 3.394 . 0 0 "[ . 1 . 2]" 1
635 1 51 LYS HG3 1 52 ALA MB . . 4.350 4.332 4.269 4.358 0.008 18 0 "[ . 1 . 2]" 1
636 1 52 ALA HA 1 54 GLY H . . 5.050 4.843 4.531 5.060 0.010 9 0 "[ . 1 . 2]" 1
637 1 52 ALA HA 1 63 TRP HE1 . . 5.140 4.890 4.616 5.142 0.002 17 0 "[ . 1 . 2]" 1
638 1 52 ALA MB 1 53 SER H . . 5.090 2.730 2.636 3.612 . 0 0 "[ . 1 . 2]" 1
639 1 52 ALA MB 1 53 SER HA . . 4.840 3.861 3.727 4.305 . 0 0 "[ . 1 . 2]" 1
640 1 52 ALA MB 1 63 TRP HD1 . . 4.290 2.340 1.979 2.668 . 0 0 "[ . 1 . 2]" 1
641 1 52 ALA MB 1 63 TRP HE1 . . 3.730 2.293 2.095 2.503 . 0 0 "[ . 1 . 2]" 1
642 1 52 ALA MB 1 63 TRP HZ2 . . 4.970 3.742 3.271 4.382 . 0 0 "[ . 1 . 2]" 1
643 1 53 SER H 1 54 GLY H . . 4.140 2.727 2.012 4.141 0.001 19 0 "[ . 1 . 2]" 1
644 1 53 SER HA 1 59 LYS HB2 . . 5.060 4.080 3.543 4.692 . 0 0 "[ . 1 . 2]" 1
645 1 53 SER HA 1 59 LYS HB3 . . 4.790 3.301 2.844 3.822 . 0 0 "[ . 1 . 2]" 1
646 1 53 SER QB 1 56 ASP QB . . 4.230 2.323 1.940 3.553 . 0 0 "[ . 1 . 2]" 1
647 1 53 SER QB 1 59 LYS HB2 . . 3.560 2.191 1.981 2.549 . 0 0 "[ . 1 . 2]" 1
648 1 53 SER QB 1 59 LYS HB3 . . 3.650 2.148 1.966 2.476 . 0 0 "[ . 1 . 2]" 1
649 1 53 SER QB 1 59 LYS HG2 . . 4.680 4.294 3.963 4.666 . 0 0 "[ . 1 . 2]" 1
650 1 53 SER QB 1 60 ALA H . . 4.410 2.955 2.716 3.120 . 0 0 "[ . 1 . 2]" 1
651 1 53 SER QB 1 60 ALA HA . . 3.920 2.798 2.408 3.284 . 0 0 "[ . 1 . 2]" 1
652 1 53 SER QB 1 60 ALA MB . . 3.640 2.836 2.501 3.143 . 0 0 "[ . 1 . 2]" 1
653 1 54 GLY H 1 55 GLY H . . 4.460 3.162 2.330 4.264 . 0 0 "[ . 1 . 2]" 1
654 1 54 GLY HA2 1 55 GLY HA2 . . 4.510 4.508 4.442 4.635 0.125 5 0 "[ . 1 . 2]" 1
655 1 54 GLY HA3 1 56 ASP QB . . 4.960 4.738 4.458 4.880 . 0 0 "[ . 1 . 2]" 1
656 1 55 GLY H 1 56 ASP H . . 4.910 3.149 1.881 3.705 . 0 0 "[ . 1 . 2]" 1
657 1 56 ASP QB 1 58 GLU H . . 5.310 3.816 3.356 3.943 . 0 0 "[ . 1 . 2]" 1
658 1 56 ASP QB 1 59 LYS H . . 4.430 2.382 2.124 2.657 . 0 0 "[ . 1 . 2]" 1
659 1 56 ASP QB 1 59 LYS HB2 . . 3.670 1.947 1.780 2.243 . 0 0 "[ . 1 . 2]" 1
660 1 56 ASP QB 1 59 LYS HB3 . . 3.850 3.280 3.042 3.568 . 0 0 "[ . 1 . 2]" 1
661 1 56 ASP QB 1 59 LYS HD3 . . 4.460 3.225 2.449 4.933 0.473 17 0 "[ . 1 . 2]" 1
662 1 56 ASP QB 1 60 ALA H . . 4.800 3.417 2.986 3.685 . 0 0 "[ . 1 . 2]" 1
663 1 57 ILE H 1 57 ILE HB . . 3.730 2.328 2.184 2.450 . 0 0 "[ . 1 . 2]" 1
664 1 57 ILE H 1 57 ILE MD . . 5.160 3.577 2.861 4.156 . 0 0 "[ . 1 . 2]" 1
665 1 57 ILE H 1 57 ILE HG12 . . 4.630 2.304 1.945 2.996 . 0 0 "[ . 1 . 2]" 1
666 1 57 ILE H 1 57 ILE HG13 . . 4.980 3.503 3.233 3.752 . 0 0 "[ . 1 . 2]" 1
667 1 57 ILE H 1 57 ILE MG . . 4.700 3.683 3.566 3.714 . 0 0 "[ . 1 . 2]" 1
668 1 57 ILE H 1 58 GLU H . . 3.860 2.675 2.356 3.065 . 0 0 "[ . 1 . 2]" 1
669 1 57 ILE HA 1 57 ILE MD . . 3.820 2.120 1.870 2.333 . 0 0 "[ . 1 . 2]" 1
670 1 57 ILE HA 1 60 ALA H . . 4.420 3.009 2.826 3.294 . 0 0 "[ . 1 . 2]" 1
671 1 57 ILE HA 1 60 ALA MB . . 3.530 2.083 1.890 2.254 . 0 0 "[ . 1 . 2]" 1
672 1 57 ILE HA 1 61 THR H . . 4.810 3.677 3.456 3.994 . 0 0 "[ . 1 . 2]" 1
673 1 57 ILE HA 1 61 THR HG1 . . 4.310 3.653 3.247 3.881 . 0 0 "[ . 1 . 2]" 1
674 1 57 ILE HB 1 57 ILE MD . . 3.570 3.191 3.167 3.208 . 0 0 "[ . 1 . 2]" 1
675 1 57 ILE HB 1 58 GLU H . . 3.500 2.582 2.444 2.859 . 0 0 "[ . 1 . 2]" 1
676 1 57 ILE HB 1 58 GLU HB2 . . 4.760 4.717 4.554 4.793 0.033 11 0 "[ . 1 . 2]" 1
677 1 57 ILE HB 1 58 GLU HG3 . . 5.070 4.596 3.858 5.178 0.108 19 0 "[ . 1 . 2]" 1
678 1 57 ILE MD 1 60 ALA MB . . 3.930 2.829 2.514 3.078 . 0 0 "[ . 1 . 2]" 1
679 1 57 ILE HG12 1 57 ILE MG . . 3.710 3.224 3.181 3.238 . 0 0 "[ . 1 . 2]" 1
680 1 57 ILE HG12 1 58 GLU H . . 4.840 4.412 4.269 4.689 . 0 0 "[ . 1 . 2]" 1
681 1 57 ILE HG13 1 57 ILE MG . . 3.430 2.457 2.136 2.626 . 0 0 "[ . 1 . 2]" 1
682 1 57 ILE MG 1 58 GLU H . . 3.750 3.188 2.913 3.628 . 0 0 "[ . 1 . 2]" 1
683 1 57 ILE MG 1 58 GLU HA . . 4.390 3.318 3.050 3.638 . 0 0 "[ . 1 . 2]" 1
684 1 57 ILE MG 1 58 GLU HB2 . . 5.240 4.874 4.477 5.135 . 0 0 "[ . 1 . 2]" 1
685 1 57 ILE MG 1 58 GLU HG2 . . 5.070 4.281 3.623 5.075 0.005 4 0 "[ . 1 . 2]" 1
686 1 57 ILE MG 1 58 GLU HG3 . . 4.630 4.419 3.556 5.072 0.442 9 0 "[ . 1 . 2]" 1
687 1 57 ILE MG 1 60 ALA H . . 5.280 4.329 4.091 4.697 . 0 0 "[ . 1 . 2]" 1
688 1 57 ILE MG 1 61 THR H . . 5.010 3.499 3.213 3.984 . 0 0 "[ . 1 . 2]" 1
689 1 58 GLU H 1 58 GLU HB2 . . 3.090 2.230 2.098 2.378 . 0 0 "[ . 1 . 2]" 1
690 1 58 GLU H 1 58 GLU HB3 . . 3.770 3.485 3.405 3.542 . 0 0 "[ . 1 . 2]" 1
691 1 58 GLU H 1 58 GLU HG2 . . 4.000 3.408 2.923 4.028 0.028 11 0 "[ . 1 . 2]" 1
692 1 58 GLU H 1 58 GLU HG3 . . 3.800 3.014 2.564 3.355 . 0 0 "[ . 1 . 2]" 1
693 1 58 GLU H 1 59 LYS H . . 3.290 2.890 2.703 3.022 . 0 0 "[ . 1 . 2]" 1
694 1 58 GLU H 1 59 LYS HB2 . . 4.930 4.877 4.713 4.935 0.005 5 0 "[ . 1 . 2]" 1
695 1 58 GLU H 1 60 ALA H . . 4.300 4.116 3.890 4.301 0.001 7 0 "[ . 1 . 2]" 1
696 1 58 GLU HA 1 58 GLU HG2 . . 4.070 2.330 1.998 3.034 . 0 0 "[ . 1 . 2]" 1
697 1 58 GLU HA 1 58 GLU HG3 . . 4.120 2.997 2.175 3.413 . 0 0 "[ . 1 . 2]" 1
698 1 58 GLU HA 1 61 THR H . . 3.730 3.617 3.288 3.744 0.014 17 0 "[ . 1 . 2]" 1
699 1 58 GLU HA 1 61 THR HB . . 4.110 2.994 2.542 3.313 . 0 0 "[ . 1 . 2]" 1
700 1 58 GLU HA 1 61 THR MG . . 4.710 4.178 3.745 4.503 . 0 0 "[ . 1 . 2]" 1
701 1 58 GLU HB2 1 58 GLU HG3 . . 2.920 2.437 2.264 2.847 . 0 0 "[ . 1 . 2]" 1
702 1 58 GLU HB2 1 59 LYS H . . 3.800 2.903 2.547 3.171 . 0 0 "[ . 1 . 2]" 1
703 1 58 GLU HB3 1 58 GLU HG3 . . 2.920 2.905 2.850 2.950 0.030 11 0 "[ . 1 . 2]" 1
704 1 58 GLU HB3 1 59 LYS H . . 3.940 3.391 3.046 3.590 . 0 0 "[ . 1 . 2]" 1
705 1 58 GLU HG3 1 59 LYS H . . 5.330 4.961 4.678 5.193 . 0 0 "[ . 1 . 2]" 1
706 1 59 LYS H 1 59 LYS HB2 . . 3.510 2.183 2.124 2.244 . 0 0 "[ . 1 . 2]" 1
707 1 59 LYS H 1 59 LYS HB3 . . 3.700 3.464 3.424 3.511 . 0 0 "[ . 1 . 2]" 1
708 1 59 LYS H 1 59 LYS HG2 . . 4.520 3.970 3.224 4.372 . 0 0 "[ . 1 . 2]" 1
709 1 59 LYS H 1 59 LYS HG3 . . 3.860 3.065 2.700 3.348 . 0 0 "[ . 1 . 2]" 1
710 1 59 LYS H 1 60 ALA MB . . 5.270 4.017 3.810 4.291 . 0 0 "[ . 1 . 2]" 1
711 1 59 LYS H 1 61 THR H . . 3.980 3.940 3.729 3.988 0.008 17 0 "[ . 1 . 2]" 1
712 1 59 LYS HA 1 59 LYS HG2 . . 3.810 2.523 2.059 2.968 . 0 0 "[ . 1 . 2]" 1
713 1 59 LYS HA 1 59 LYS HG3 . . 4.190 2.610 2.110 3.410 . 0 0 "[ . 1 . 2]" 1
714 1 59 LYS HA 1 61 THR H . . 4.880 4.253 3.964 4.503 . 0 0 "[ . 1 . 2]" 1
715 1 59 LYS HA 1 62 ASP H . . 5.100 3.256 3.131 3.376 . 0 0 "[ . 1 . 2]" 1
716 1 59 LYS HA 1 62 ASP HB2 . . 3.670 3.167 2.810 3.423 . 0 0 "[ . 1 . 2]" 1
717 1 59 LYS HA 1 62 ASP HB3 . . 3.630 3.040 2.814 3.337 . 0 0 "[ . 1 . 2]" 1
718 1 59 LYS HA 1 63 TRP H . . 4.900 4.026 3.708 4.445 . 0 0 "[ . 1 . 2]" 1
719 1 59 LYS HB2 1 60 ALA H . . 3.840 2.960 2.757 3.173 . 0 0 "[ . 1 . 2]" 1
720 1 59 LYS HB2 1 60 ALA MB . . 4.360 4.272 4.124 4.364 0.004 19 0 "[ . 1 . 2]" 1
721 1 59 LYS HB3 1 59 LYS HD2 . . 3.830 3.408 2.080 3.829 . 0 0 "[ . 1 . 2]" 1
722 1 59 LYS HB3 1 59 LYS HD3 . . 3.630 2.762 2.341 3.260 . 0 0 "[ . 1 . 2]" 1
723 1 59 LYS HB3 1 59 LYS HE2 . . 5.030 4.017 2.146 5.008 . 0 0 "[ . 1 . 2]" 1
724 1 59 LYS HB3 1 60 ALA H . . 3.790 3.548 3.323 3.795 0.005 9 0 "[ . 1 . 2]" 1
725 1 59 LYS HB3 1 62 ASP HB3 . . 4.850 4.542 4.226 4.830 . 0 0 "[ . 1 . 2]" 1
726 1 59 LYS HD2 1 59 LYS HG2 . . 3.000 2.929 2.517 3.026 0.026 20 0 "[ . 1 . 2]" 1
727 1 59 LYS HD2 1 59 LYS HG3 . . 2.660 2.447 2.277 2.749 0.089 17 0 "[ . 1 . 2]" 1
728 1 59 LYS HD3 1 59 LYS HG2 . . 2.900 2.671 2.313 3.057 0.157 12 0 "[ . 1 . 2]" 1
729 1 59 LYS HE2 1 59 LYS HG2 . . 4.020 2.767 1.999 3.415 . 0 0 "[ . 1 . 2]" 1
730 1 59 LYS HE3 1 59 LYS HG3 . . 4.020 3.088 2.037 4.128 0.108 14 0 "[ . 1 . 2]" 1
731 1 59 LYS HG3 1 60 ALA H . . 4.870 4.832 4.633 4.980 0.110 14 0 "[ . 1 . 2]" 1
732 1 60 ALA H 1 60 ALA MB . . 3.110 2.096 1.933 2.168 . 0 0 "[ . 1 . 2]" 1
733 1 60 ALA H 1 61 THR H . . 3.390 2.660 2.480 2.812 . 0 0 "[ . 1 . 2]" 1
734 1 60 ALA HA 1 61 THR HA . . 4.930 4.798 4.747 4.836 . 0 0 "[ . 1 . 2]" 1
735 1 60 ALA HA 1 63 TRP H . . 4.460 3.183 3.038 3.296 . 0 0 "[ . 1 . 2]" 1
736 1 60 ALA HA 1 63 TRP HB2 . . 4.210 3.031 2.867 3.159 . 0 0 "[ . 1 . 2]" 1
737 1 60 ALA HA 1 63 TRP HB3 . . 3.820 2.543 2.297 2.756 . 0 0 "[ . 1 . 2]" 1
738 1 60 ALA HA 1 64 VAL MG2 . . 5.240 3.952 3.820 4.038 . 0 0 "[ . 1 . 2]" 1
739 1 60 ALA MB 1 61 THR H . . 3.310 2.645 2.488 2.797 . 0 0 "[ . 1 . 2]" 1
740 1 60 ALA MB 1 61 THR HG1 . . 4.610 3.320 2.972 3.828 . 0 0 "[ . 1 . 2]" 1
741 1 61 THR H 1 61 THR HB . . 3.280 2.433 2.364 2.692 . 0 0 "[ . 1 . 2]" 1
742 1 61 THR H 1 61 THR MG . . 3.770 3.669 3.594 3.688 . 0 0 "[ . 1 . 2]" 1
743 1 61 THR H 1 62 ASP H . . 3.660 2.645 2.526 2.745 . 0 0 "[ . 1 . 2]" 1
744 1 61 THR H 1 62 ASP HB2 . . 4.980 4.781 4.444 4.986 0.006 12 0 "[ . 1 . 2]" 1
745 1 61 THR H 1 62 ASP HB3 . . 5.060 5.046 4.989 5.071 0.011 17 0 "[ . 1 . 2]" 1
746 1 61 THR HA 1 61 THR MG . . 3.420 2.387 2.258 2.486 . 0 0 "[ . 1 . 2]" 1
747 1 61 THR HA 1 64 VAL HB . . 4.700 3.344 3.165 3.560 . 0 0 "[ . 1 . 2]" 1
748 1 61 THR HA 1 64 VAL MG1 . . 4.650 4.395 4.215 4.550 . 0 0 "[ . 1 . 2]" 1
749 1 61 THR HA 1 64 VAL MG2 . . 3.870 2.572 2.363 2.937 . 0 0 "[ . 1 . 2]" 1
750 1 61 THR HB 1 62 ASP H . . 4.420 3.019 2.825 3.413 . 0 0 "[ . 1 . 2]" 1
751 1 61 THR HB 1 62 ASP HB2 . . 4.860 4.267 4.164 4.369 . 0 0 "[ . 1 . 2]" 1
752 1 61 THR MG 1 62 ASP H . . 4.870 3.911 3.708 4.137 . 0 0 "[ . 1 . 2]" 1
753 1 61 THR MG 1 62 ASP HA . . 4.740 3.887 3.698 4.315 . 0 0 "[ . 1 . 2]" 1
754 1 61 THR MG 1 65 PHE QE . . 3.630 2.328 1.966 2.915 . 0 0 "[ . 1 . 2]" 1
755 1 61 THR MG 1 65 PHE HZ . . 4.030 2.157 1.873 2.823 . 0 0 "[ . 1 . 2]" 1
756 1 62 ASP H 1 62 ASP HB2 . . 3.740 2.439 2.365 2.552 . 0 0 "[ . 1 . 2]" 1
757 1 62 ASP H 1 62 ASP HB3 . . 4.130 2.573 2.498 2.688 . 0 0 "[ . 1 . 2]" 1
758 1 62 ASP H 1 63 TRP H . . 4.030 2.389 2.111 2.509 . 0 0 "[ . 1 . 2]" 1
759 1 62 ASP HA 1 65 PHE H . . 4.420 3.278 2.946 3.433 . 0 0 "[ . 1 . 2]" 1
760 1 62 ASP HA 1 65 PHE HB2 . . 4.490 3.275 2.797 3.457 . 0 0 "[ . 1 . 2]" 1
761 1 62 ASP HA 1 65 PHE HB3 . . 4.950 4.703 4.288 4.951 0.001 4 0 "[ . 1 . 2]" 1
762 1 62 ASP HA 1 65 PHE QD . . 4.970 2.400 2.065 2.838 . 0 0 "[ . 1 . 2]" 1
763 1 62 ASP HA 1 66 ASN H . . 5.000 3.891 3.653 4.674 . 0 0 "[ . 1 . 2]" 1
764 1 62 ASP HA 1 66 ASN HD21 . . 5.170 3.923 3.108 4.724 . 0 0 "[ . 1 . 2]" 1
765 1 62 ASP HA 1 66 ASN HD22 . . 4.740 4.588 3.378 5.179 0.439 17 0 "[ . 1 . 2]" 1
766 1 62 ASP HB2 1 63 TRP H . . 3.690 3.650 3.585 3.699 0.009 10 0 "[ . 1 . 2]" 1
767 1 62 ASP HB2 1 66 ASN HD21 . . 4.650 4.391 4.072 4.651 0.001 13 0 "[ . 1 . 2]" 1
768 1 62 ASP HB3 1 63 TRP H . . 3.860 2.431 2.290 2.753 . 0 0 "[ . 1 . 2]" 1
769 1 63 TRP H 1 63 TRP HB2 . . 3.270 2.367 2.302 2.491 . 0 0 "[ . 1 . 2]" 1
770 1 63 TRP H 1 63 TRP HB3 . . 3.500 2.568 2.453 2.653 . 0 0 "[ . 1 . 2]" 1
771 1 63 TRP H 1 63 TRP HD1 . . 4.970 4.844 4.737 4.999 0.029 12 0 "[ . 1 . 2]" 1
772 1 63 TRP H 1 64 VAL H . . 3.740 2.865 2.585 3.007 . 0 0 "[ . 1 . 2]" 1
773 1 63 TRP HA 1 63 TRP HD1 . . 4.450 3.318 3.212 3.462 . 0 0 "[ . 1 . 2]" 1
774 1 63 TRP HA 1 66 ASN H . . 4.770 3.316 2.840 3.591 . 0 0 "[ . 1 . 2]" 1
775 1 63 TRP HA 1 66 ASN HB2 . . 4.440 2.159 1.995 2.736 . 0 0 "[ . 1 . 2]" 1
776 1 63 TRP HA 1 66 ASN HB3 . . 4.870 3.496 2.925 4.100 . 0 0 "[ . 1 . 2]" 1
777 1 63 TRP HB2 1 63 TRP HD1 . . 3.690 2.691 2.654 2.721 . 0 0 "[ . 1 . 2]" 1
778 1 63 TRP HB2 1 64 VAL H . . 4.290 3.871 3.778 4.035 . 0 0 "[ . 1 . 2]" 1
779 1 63 TRP HB2 1 64 VAL MG2 . . 5.070 4.711 4.548 4.867 . 0 0 "[ . 1 . 2]" 1
780 1 63 TRP HB3 1 63 TRP HZ3 . . 5.290 4.976 4.931 5.039 . 0 0 "[ . 1 . 2]" 1
781 1 63 TRP HB3 1 64 VAL H . . 4.150 2.591 2.470 2.930 . 0 0 "[ . 1 . 2]" 1
782 1 63 TRP HB3 1 64 VAL MG2 . . 4.400 3.204 3.034 3.326 . 0 0 "[ . 1 . 2]" 1
783 1 63 TRP HD1 1 67 ASN HD21 . . 5.390 4.040 2.639 5.870 0.480 19 0 "[ . 1 . 2]" 1
784 1 63 TRP HE1 1 67 ASN HD21 . . 5.100 3.843 2.713 5.064 . 0 0 "[ . 1 . 2]" 1
785 1 63 TRP HE3 1 64 VAL H . . 4.780 2.870 2.239 3.265 . 0 0 "[ . 1 . 2]" 1
786 1 63 TRP HE3 1 64 VAL HA . . 4.240 2.421 2.092 2.612 . 0 0 "[ . 1 . 2]" 1
787 1 63 TRP HE3 1 64 VAL HB . . 4.640 4.523 3.934 4.641 0.001 10 0 "[ . 1 . 2]" 1
788 1 63 TRP HE3 1 64 VAL MG2 . . 3.390 2.448 1.959 2.678 . 0 0 "[ . 1 . 2]" 1
789 1 63 TRP HE3 1 65 PHE H . . 5.380 5.079 4.658 5.320 . 0 0 "[ . 1 . 2]" 1
790 1 63 TRP HZ3 1 64 VAL MG2 . . 4.640 3.720 2.668 4.001 . 0 0 "[ . 1 . 2]" 1
791 1 64 VAL H 1 64 VAL HB . . 3.850 2.482 2.403 2.527 . 0 0 "[ . 1 . 2]" 1
792 1 64 VAL H 1 64 VAL MG2 . . 3.450 1.951 1.908 2.135 . 0 0 "[ . 1 . 2]" 1
793 1 64 VAL H 1 65 PHE H . . 3.740 2.882 2.608 3.041 . 0 0 "[ . 1 . 2]" 1
794 1 64 VAL HA 1 64 VAL MG2 . . 3.490 2.403 2.379 2.478 . 0 0 "[ . 1 . 2]" 1
795 1 64 VAL HB 1 65 PHE H . . 3.600 2.621 2.283 2.995 . 0 0 "[ . 1 . 2]" 1
796 1 64 VAL HB 1 65 PHE HZ . . 4.940 4.324 4.204 4.528 . 0 0 "[ . 1 . 2]" 1
797 1 64 VAL MG1 1 65 PHE H . . 4.660 3.502 3.298 3.841 . 0 0 "[ . 1 . 2]" 1
798 1 64 VAL MG1 1 65 PHE HA . . 4.730 3.616 3.458 3.892 . 0 0 "[ . 1 . 2]" 1
799 1 64 VAL MG1 1 65 PHE QD . . 4.940 2.653 2.418 2.811 . 0 0 "[ . 1 . 2]" 1
800 1 64 VAL MG1 1 65 PHE HZ . . 5.400 4.420 4.073 4.747 . 0 0 "[ . 1 . 2]" 1
801 1 64 VAL MG2 1 65 PHE H . . 4.330 3.885 3.673 3.988 . 0 0 "[ . 1 . 2]" 1
802 1 64 VAL MG2 1 65 PHE HZ . . 4.920 4.924 4.916 4.935 0.015 10 0 "[ . 1 . 2]" 1
803 1 65 PHE H 1 65 PHE HB2 . . 3.320 2.605 2.537 2.634 . 0 0 "[ . 1 . 2]" 1
804 1 65 PHE H 1 65 PHE HB3 . . 3.720 3.488 3.447 3.553 . 0 0 "[ . 1 . 2]" 1
805 1 65 PHE H 1 65 PHE QD . . 4.630 2.697 2.453 2.891 . 0 0 "[ . 1 . 2]" 1
806 1 65 PHE H 1 66 ASN H . . 3.410 2.536 2.216 2.650 . 0 0 "[ . 1 . 2]" 1
807 1 65 PHE HA 1 65 PHE QD . . 3.810 2.289 2.223 2.340 . 0 0 "[ . 1 . 2]" 1
808 1 65 PHE HB2 1 66 ASN H . . 4.080 2.371 2.055 3.278 . 0 0 "[ . 1 . 2]" 1
809 1 65 PHE HB3 1 66 ASN H . . 4.290 3.729 3.500 4.320 0.030 18 0 "[ . 1 . 2]" 1
810 1 66 ASN H 1 66 ASN HB2 . . 3.410 2.301 2.141 2.570 . 0 0 "[ . 1 . 2]" 1
811 1 66 ASN H 1 66 ASN HB3 . . 3.960 3.525 3.402 3.709 . 0 0 "[ . 1 . 2]" 1
812 1 66 ASN H 1 66 ASN HD21 . . 4.730 2.828 1.912 3.572 . 0 0 "[ . 1 . 2]" 1
813 1 66 ASN H 1 66 ASN HD22 . . 5.500 4.044 3.540 4.667 . 0 0 "[ . 1 . 2]" 1
814 1 66 ASN H 1 67 ASN H . . 4.250 3.521 2.978 4.391 0.141 18 0 "[ . 1 . 2]" 1
815 1 66 ASN HB2 1 67 ASN H . . 5.380 3.135 2.397 4.659 . 0 0 "[ . 1 . 2]" 1
816 1 66 ASN HB2 1 67 ASN HD21 . . 5.210 4.235 2.280 5.634 0.424 19 0 "[ . 1 . 2]" 1
817 1 66 ASN HB3 1 67 ASN H . . 4.810 3.041 1.918 4.214 . 0 0 "[ . 1 . 2]" 1
818 1 66 ASN HB3 1 67 ASN HD21 . . 5.040 3.699 2.138 4.962 . 0 0 "[ . 1 . 2]" 1
819 1 68 SER H 1 68 SER HB2 . . 3.920 3.285 2.307 4.014 0.094 11 0 "[ . 1 . 2]" 1
820 1 68 SER H 1 69 GLY H . . 4.500 3.971 2.569 4.505 0.005 8 0 "[ . 1 . 2]" 1
821 1 68 SER HA 1 69 GLY HA2 . . 4.430 4.411 4.342 4.483 0.053 1 0 "[ . 1 . 2]" 1
822 1 68 SER HB3 1 69 GLY H . . 4.310 3.890 2.727 4.533 0.223 15 0 "[ . 1 . 2]" 1
823 1 69 GLY H 1 70 PRO HD2 . . 5.100 4.699 4.018 5.004 . 0 0 "[ . 1 . 2]" 1
824 1 69 GLY HA2 1 70 PRO HD3 . . 3.430 2.268 2.001 2.803 . 0 0 "[ . 1 . 2]" 1
825 1 69 GLY HA3 1 70 PRO HD2 . . 3.430 2.589 2.199 3.450 0.020 15 0 "[ . 1 . 2]" 1
826 1 69 GLY HA3 1 70 PRO HD3 . . 3.420 2.860 2.253 3.651 0.231 15 0 "[ . 1 . 2]" 1
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