NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
405164 |
1x5a   |
11117 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x5a
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 1847
_Distance_constraint_stats_list.Viol_count 765
_Distance_constraint_stats_list.Viol_total 255.851
_Distance_constraint_stats_list.Viol_max 0.184
_Distance_constraint_stats_list.Viol_rms 0.0044
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0167
_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 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLU 0.000 0.000 1 0 "[ . 1 . 2]"
1 10 SER 0.000 0.000 1 0 "[ . 1 . 2]"
1 11 LEU 0.181 0.089 12 0 "[ . 1 . 2]"
1 12 SER 0.081 0.081 12 0 "[ . 1 . 2]"
1 13 GLY 0.159 0.051 10 0 "[ . 1 . 2]"
1 14 LEU 0.496 0.089 12 0 "[ . 1 . 2]"
1 15 SER 0.068 0.041 7 0 "[ . 1 . 2]"
1 16 LEU 0.068 0.016 18 0 "[ . 1 . 2]"
1 17 LYS 0.379 0.054 15 0 "[ . 1 . 2]"
1 18 LEU 2.407 0.162 8 0 "[ . 1 . 2]"
1 19 VAL 3.231 0.162 8 0 "[ . 1 . 2]"
1 20 LYS 0.438 0.094 12 0 "[ . 1 . 2]"
1 21 LYS 0.412 0.094 12 0 "[ . 1 . 2]"
1 22 GLU 0.098 0.031 6 0 "[ . 1 . 2]"
1 23 PRO 0.109 0.031 6 0 "[ . 1 . 2]"
1 24 ARG 0.061 0.016 15 0 "[ . 1 . 2]"
1 25 GLN 0.052 0.038 15 0 "[ . 1 . 2]"
1 26 LEU 0.115 0.021 6 0 "[ . 1 . 2]"
1 27 GLU 0.404 0.076 16 0 "[ . 1 . 2]"
1 28 LEU 0.293 0.026 17 0 "[ . 1 . 2]"
1 29 THR 0.218 0.032 4 0 "[ . 1 . 2]"
1 30 TRP 0.364 0.070 13 0 "[ . 1 . 2]"
1 31 ALA 0.027 0.013 4 0 "[ . 1 . 2]"
1 33 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ASN 0.052 0.046 11 0 "[ . 1 . 2]"
1 42 LEU 0.096 0.046 11 0 "[ . 1 . 2]"
1 43 SER 0.008 0.004 10 0 "[ . 1 . 2]"
1 44 TYR 0.229 0.024 13 0 "[ . 1 . 2]"
1 45 GLU 0.043 0.010 19 0 "[ . 1 . 2]"
1 46 LEU 0.317 0.070 13 0 "[ . 1 . 2]"
1 47 HIS 0.109 0.016 18 0 "[ . 1 . 2]"
1 48 VAL 0.165 0.023 13 0 "[ . 1 . 2]"
1 49 LEU 1.414 0.092 13 0 "[ . 1 . 2]"
1 50 ASN 0.412 0.056 13 0 "[ . 1 . 2]"
1 51 GLN 0.489 0.134 12 0 "[ . 1 . 2]"
1 52 ASP 0.487 0.054 9 0 "[ . 1 . 2]"
1 53 GLU 0.614 0.054 9 0 "[ . 1 . 2]"
1 54 GLU 1.773 0.092 13 0 "[ . 1 . 2]"
1 55 TRP 0.273 0.030 5 0 "[ . 1 . 2]"
1 56 HIS 0.002 0.001 9 0 "[ . 1 . 2]"
1 57 GLN 0.037 0.008 5 0 "[ . 1 . 2]"
1 58 MET 0.092 0.013 13 0 "[ . 1 . 2]"
1 59 VAL 0.108 0.018 9 0 "[ . 1 . 2]"
1 60 LEU 0.009 0.005 9 0 "[ . 1 . 2]"
1 61 GLU 0.054 0.011 18 0 "[ . 1 . 2]"
1 62 PRO 0.024 0.011 19 0 "[ . 1 . 2]"
1 63 ARG 0.078 0.023 17 0 "[ . 1 . 2]"
1 64 VAL 0.053 0.023 17 0 "[ . 1 . 2]"
1 65 LEU 0.158 0.058 15 0 "[ . 1 . 2]"
1 66 LEU 0.163 0.058 15 0 "[ . 1 . 2]"
1 67 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LYS 0.121 0.061 10 0 "[ . 1 . 2]"
1 69 LEU 0.149 0.061 10 0 "[ . 1 . 2]"
1 70 GLN 0.017 0.004 18 0 "[ . 1 . 2]"
1 71 PRO 0.061 0.016 15 0 "[ . 1 . 2]"
1 72 ASP 0.005 0.004 15 0 "[ . 1 . 2]"
1 73 THR 0.058 0.018 4 0 "[ . 1 . 2]"
1 74 THR 0.121 0.038 18 0 "[ . 1 . 2]"
1 75 TYR 0.033 0.009 17 0 "[ . 1 . 2]"
1 76 ILE 0.205 0.034 18 0 "[ . 1 . 2]"
1 77 VAL 0.050 0.036 18 0 "[ . 1 . 2]"
1 78 ARG 0.114 0.016 18 0 "[ . 1 . 2]"
1 79 VAL 0.243 0.018 13 0 "[ . 1 . 2]"
1 80 ARG 0.084 0.015 17 0 "[ . 1 . 2]"
1 81 THR 0.189 0.066 16 0 "[ . 1 . 2]"
1 82 LEU 0.606 0.087 19 0 "[ . 1 . 2]"
1 83 THR 0.490 0.092 16 0 "[ . 1 . 2]"
1 84 PRO 0.000 0.000 4 0 "[ . 1 . 2]"
1 85 LEU 0.459 0.184 20 0 "[ . 1 . 2]"
1 86 GLY 0.696 0.184 20 0 "[ . 1 . 2]"
1 87 PRO 0.522 0.087 19 0 "[ . 1 . 2]"
1 88 GLY 0.058 0.019 17 0 "[ . 1 . 2]"
1 89 PRO 0.039 0.039 14 0 "[ . 1 . 2]"
1 90 PHE 0.193 0.039 14 0 "[ . 1 . 2]"
1 91 SER 0.071 0.014 16 0 "[ . 1 . 2]"
1 92 PRO 0.374 0.092 18 0 "[ . 1 . 2]"
1 93 ASP 0.343 0.092 18 0 "[ . 1 . 2]"
1 94 HIS 0.263 0.122 18 0 "[ . 1 . 2]"
1 95 GLU 0.319 0.122 18 0 "[ . 1 . 2]"
1 96 PHE 0.352 0.047 18 0 "[ . 1 . 2]"
1 97 ARG 0.078 0.047 18 0 "[ . 1 . 2]"
1 98 THR 0.051 0.010 18 0 "[ . 1 . 2]"
1 99 SER 0.174 0.066 15 0 "[ . 1 . 2]"
1 100 PRO 0.085 0.066 15 0 "[ . 1 . 2]"
1 101 PRO 0.014 0.009 19 0 "[ . 1 . 2]"
1 102 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY QA 1 8 ALA MB . . 4.490 3.837 3.585 4.128 . 0 0 "[ . 1 . 2]" 1
2 1 8 ALA H 1 8 ALA MB . . 3.400 2.280 2.034 2.622 . 0 0 "[ . 1 . 2]" 1
3 1 9 GLU QB 1 10 SER HA . . 5.030 4.517 3.824 5.030 0.000 1 0 "[ . 1 . 2]" 1
4 1 11 LEU H 1 11 LEU QB . . 3.630 2.477 2.136 3.070 . 0 0 "[ . 1 . 2]" 1
5 1 11 LEU H 1 11 LEU HG . . 4.930 4.144 1.950 4.828 . 0 0 "[ . 1 . 2]" 1
6 1 11 LEU HA 1 11 LEU MD1 . . 4.260 2.616 1.918 4.139 . 0 0 "[ . 1 . 2]" 1
7 1 11 LEU HA 1 11 LEU QD . . 3.380 2.413 1.912 3.375 . 0 0 "[ . 1 . 2]" 1
8 1 11 LEU HA 1 11 LEU MD2 . . 4.260 3.736 3.224 3.998 . 0 0 "[ . 1 . 2]" 1
9 1 11 LEU HA 1 11 LEU HG . . 3.760 3.160 2.678 3.726 . 0 0 "[ . 1 . 2]" 1
10 1 11 LEU QD 1 12 SER QB . . 3.810 3.556 3.058 3.808 . 0 0 "[ . 1 . 2]" 1
11 1 11 LEU QD 1 14 LEU H . . 4.700 2.961 1.813 4.051 . 0 0 "[ . 1 . 2]" 1
12 1 11 LEU HG 1 12 SER QB . . 4.170 3.959 3.505 4.251 0.081 12 0 "[ . 1 . 2]" 1
13 1 11 LEU HG 1 14 LEU H . . 3.930 2.937 1.980 4.019 0.089 12 0 "[ . 1 . 2]" 1
14 1 11 LEU HG 1 14 LEU HB3 . . 4.700 4.495 4.072 4.707 0.007 12 0 "[ . 1 . 2]" 1
15 1 13 GLY QA 1 14 LEU HB2 . . 4.690 4.568 4.242 4.741 0.051 10 0 "[ . 1 . 2]" 1
16 1 13 GLY QA 1 14 LEU MD2 . . 4.550 4.406 3.782 4.544 . 0 0 "[ . 1 . 2]" 1
17 1 13 GLY HA2 1 14 LEU HB2 . . 5.500 5.035 4.590 5.522 0.022 10 0 "[ . 1 . 2]" 1
18 1 13 GLY HA2 1 14 LEU MD2 . . 5.320 5.219 4.898 5.326 0.006 15 0 "[ . 1 . 2]" 1
19 1 13 GLY HA3 1 14 LEU HB2 . . 5.500 5.312 4.428 5.508 0.008 13 0 "[ . 1 . 2]" 1
20 1 13 GLY HA3 1 14 LEU MD2 . . 5.320 4.762 3.915 4.980 . 0 0 "[ . 1 . 2]" 1
21 1 14 LEU H 1 14 LEU HB2 . . 3.270 2.671 2.459 3.293 0.023 20 0 "[ . 1 . 2]" 1
22 1 14 LEU H 1 14 LEU HB3 . . 3.860 3.747 3.623 3.927 0.067 20 0 "[ . 1 . 2]" 1
23 1 14 LEU H 1 14 LEU MD2 . . 5.200 3.856 2.056 4.281 . 0 0 "[ . 1 . 2]" 1
24 1 14 LEU H 1 15 SER H . . 4.630 3.598 2.944 4.557 . 0 0 "[ . 1 . 2]" 1
25 1 14 LEU HA 1 14 LEU MD1 . . 4.010 3.813 3.604 3.879 . 0 0 "[ . 1 . 2]" 1
26 1 14 LEU HA 1 14 LEU MD2 . . 3.140 2.022 1.880 2.189 . 0 0 "[ . 1 . 2]" 1
27 1 14 LEU HA 1 15 SER H . . 3.150 2.431 2.141 2.737 . 0 0 "[ . 1 . 2]" 1
28 1 14 LEU HB2 1 14 LEU MD1 . . 3.030 2.278 2.120 2.626 . 0 0 "[ . 1 . 2]" 1
29 1 14 LEU HB2 1 15 SER H . . 4.460 4.323 3.805 4.501 0.041 7 0 "[ . 1 . 2]" 1
30 1 14 LEU HB2 1 79 VAL MG1 . . 4.130 3.997 3.642 4.141 0.011 18 0 "[ . 1 . 2]" 1
31 1 14 LEU HB2 1 91 SER QB . . 5.340 3.928 3.476 4.410 . 0 0 "[ . 1 . 2]" 1
32 1 14 LEU HB3 1 14 LEU MD1 . . 3.300 2.366 2.033 2.517 . 0 0 "[ . 1 . 2]" 1
33 1 14 LEU HB3 1 14 LEU MD2 . . 3.350 2.353 2.218 2.669 . 0 0 "[ . 1 . 2]" 1
34 1 14 LEU HB3 1 15 SER H . . 4.440 3.838 2.512 4.402 . 0 0 "[ . 1 . 2]" 1
35 1 14 LEU HB3 1 79 VAL MG1 . . 3.830 2.689 2.190 3.095 . 0 0 "[ . 1 . 2]" 1
36 1 14 LEU HB3 1 91 SER HB2 . . 4.650 4.362 3.804 4.651 0.001 5 0 "[ . 1 . 2]" 1
37 1 14 LEU HB3 1 91 SER HB3 . . 4.650 3.893 3.280 4.462 . 0 0 "[ . 1 . 2]" 1
38 1 14 LEU MD1 1 30 TRP HD1 . . 4.450 4.176 3.645 4.456 0.006 11 0 "[ . 1 . 2]" 1
39 1 14 LEU MD1 1 44 TYR QD . . 4.280 3.567 2.672 3.977 . 0 0 "[ . 1 . 2]" 1
40 1 14 LEU MD1 1 44 TYR QE . . 4.840 4.342 3.562 4.837 . 0 0 "[ . 1 . 2]" 1
41 1 14 LEU MD1 1 79 VAL HB . . 5.500 5.064 4.476 5.440 . 0 0 "[ . 1 . 2]" 1
42 1 14 LEU MD1 1 79 VAL MG1 . . 3.450 2.651 2.110 3.055 . 0 0 "[ . 1 . 2]" 1
43 1 14 LEU MD1 1 79 VAL MG2 . . 3.900 3.421 2.903 3.879 . 0 0 "[ . 1 . 2]" 1
44 1 14 LEU MD1 1 80 ARG HA . . 4.160 1.895 1.813 2.031 . 0 0 "[ . 1 . 2]" 1
45 1 14 LEU MD1 1 81 THR H . . 4.150 2.135 1.830 2.954 . 0 0 "[ . 1 . 2]" 1
46 1 14 LEU MD1 1 81 THR HB . . 4.200 3.382 2.874 3.856 . 0 0 "[ . 1 . 2]" 1
47 1 14 LEU MD1 1 91 SER H . . 4.880 4.328 3.986 4.811 . 0 0 "[ . 1 . 2]" 1
48 1 14 LEU MD1 1 91 SER QB . . 4.310 3.677 3.334 4.121 . 0 0 "[ . 1 . 2]" 1
49 1 14 LEU MD2 1 15 SER H . . 4.320 3.814 2.897 4.302 . 0 0 "[ . 1 . 2]" 1
50 1 14 LEU MD2 1 30 TRP HB2 . . 4.800 2.475 1.976 3.294 . 0 0 "[ . 1 . 2]" 1
51 1 14 LEU MD2 1 30 TRP QB . . 3.950 2.433 1.960 3.195 . 0 0 "[ . 1 . 2]" 1
52 1 14 LEU MD2 1 30 TRP HB3 . . 4.800 3.637 3.027 4.306 . 0 0 "[ . 1 . 2]" 1
53 1 14 LEU MD2 1 30 TRP HD1 . . 3.490 2.113 1.849 2.526 . 0 0 "[ . 1 . 2]" 1
54 1 14 LEU MD2 1 30 TRP HE1 . . 4.410 3.391 2.509 3.885 . 0 0 "[ . 1 . 2]" 1
55 1 14 LEU MD2 1 44 TYR QD . . 4.430 3.559 2.992 4.151 . 0 0 "[ . 1 . 2]" 1
56 1 14 LEU MD2 1 44 TYR QE . . 4.030 3.563 2.754 4.025 . 0 0 "[ . 1 . 2]" 1
57 1 14 LEU MD2 1 79 VAL HB . . 5.500 4.943 4.512 5.481 . 0 0 "[ . 1 . 2]" 1
58 1 14 LEU MD2 1 79 VAL MG1 . . 3.770 2.314 1.990 2.802 . 0 0 "[ . 1 . 2]" 1
59 1 14 LEU MD2 1 79 VAL MG2 . . 4.230 3.357 2.883 3.835 . 0 0 "[ . 1 . 2]" 1
60 1 15 SER H 1 15 SER QB . . 3.550 2.714 2.264 3.365 . 0 0 "[ . 1 . 2]" 1
61 1 15 SER H 1 16 LEU H . . 4.490 4.075 3.800 4.406 . 0 0 "[ . 1 . 2]" 1
62 1 15 SER H 1 30 TRP HB2 . . 4.960 3.217 2.025 4.317 . 0 0 "[ . 1 . 2]" 1
63 1 15 SER H 1 30 TRP QB . . 4.330 3.069 1.995 4.058 . 0 0 "[ . 1 . 2]" 1
64 1 15 SER H 1 30 TRP HB3 . . 4.960 3.940 2.734 4.965 0.005 15 0 "[ . 1 . 2]" 1
65 1 15 SER QB 1 16 LEU H . . 3.870 3.633 3.383 3.866 . 0 0 "[ . 1 . 2]" 1
66 1 16 LEU H 1 16 LEU QB . . 3.230 2.365 2.179 2.589 . 0 0 "[ . 1 . 2]" 1
67 1 16 LEU H 1 16 LEU MD1 . . 3.980 3.420 3.195 3.683 . 0 0 "[ . 1 . 2]" 1
68 1 16 LEU H 1 16 LEU MD2 . . 4.470 3.725 3.315 4.031 . 0 0 "[ . 1 . 2]" 1
69 1 16 LEU H 1 16 LEU HG . . 3.870 2.474 1.976 2.885 . 0 0 "[ . 1 . 2]" 1
70 1 16 LEU H 1 94 HIS HD2 . . 4.660 4.448 4.096 4.663 0.003 12 0 "[ . 1 . 2]" 1
71 1 16 LEU QB 1 17 LYS H . . 3.810 3.221 2.378 3.643 . 0 0 "[ . 1 . 2]" 1
72 1 16 LEU QB 1 28 LEU MD1 . . 4.600 3.102 2.386 3.800 . 0 0 "[ . 1 . 2]" 1
73 1 16 LEU QB 1 28 LEU MD2 . . 4.530 3.591 2.879 4.221 . 0 0 "[ . 1 . 2]" 1
74 1 16 LEU QB 1 94 HIS HB2 . . 4.690 3.462 3.088 4.191 . 0 0 "[ . 1 . 2]" 1
75 1 16 LEU QB 1 94 HIS HD2 . . 3.990 3.138 2.519 3.700 . 0 0 "[ . 1 . 2]" 1
76 1 16 LEU QB 1 96 PHE QE . . 3.660 2.600 2.256 3.056 . 0 0 "[ . 1 . 2]" 1
77 1 16 LEU QB 1 96 PHE HZ . . 3.410 2.384 2.009 3.011 . 0 0 "[ . 1 . 2]" 1
78 1 16 LEU MD1 1 28 LEU MD2 . . 4.940 4.498 4.064 4.909 . 0 0 "[ . 1 . 2]" 1
79 1 16 LEU MD1 1 77 VAL HA . . 5.150 3.980 3.610 4.337 . 0 0 "[ . 1 . 2]" 1
80 1 16 LEU MD1 1 77 VAL HB . . 3.680 2.457 1.964 2.883 . 0 0 "[ . 1 . 2]" 1
81 1 16 LEU MD1 1 77 VAL MG1 . . 3.330 2.358 1.924 2.865 . 0 0 "[ . 1 . 2]" 1
82 1 16 LEU MD1 1 77 VAL MG2 . . 4.260 3.822 3.456 4.199 . 0 0 "[ . 1 . 2]" 1
83 1 16 LEU MD1 1 78 ARG H . . 4.870 3.320 2.889 3.802 . 0 0 "[ . 1 . 2]" 1
84 1 16 LEU MD1 1 78 ARG HA . . 3.940 1.957 1.784 2.203 . 0 0 "[ . 1 . 2]" 1
85 1 16 LEU MD1 1 79 VAL H . . 4.440 2.585 2.168 2.871 . 0 0 "[ . 1 . 2]" 1
86 1 16 LEU MD1 1 91 SER QB . . 4.780 3.380 3.114 3.670 . 0 0 "[ . 1 . 2]" 1
87 1 16 LEU MD1 1 91 SER HG . . 4.570 2.477 1.972 3.427 . 0 0 "[ . 1 . 2]" 1
88 1 16 LEU MD1 1 94 HIS HB2 . . 3.810 2.386 1.992 3.046 . 0 0 "[ . 1 . 2]" 1
89 1 16 LEU MD1 1 94 HIS HB3 . . 4.190 3.325 2.848 3.911 . 0 0 "[ . 1 . 2]" 1
90 1 16 LEU MD1 1 94 HIS HE1 . . 4.330 3.552 3.089 4.194 . 0 0 "[ . 1 . 2]" 1
91 1 16 LEU MD1 1 96 PHE QE . . 3.530 2.401 2.050 2.881 . 0 0 "[ . 1 . 2]" 1
92 1 16 LEU MD1 1 96 PHE HZ . . 4.660 3.698 3.025 4.524 . 0 0 "[ . 1 . 2]" 1
93 1 16 LEU MD2 1 17 LYS H . . 4.230 3.447 2.908 3.918 . 0 0 "[ . 1 . 2]" 1
94 1 16 LEU MD2 1 28 LEU HB2 . . 4.060 3.086 2.502 3.449 . 0 0 "[ . 1 . 2]" 1
95 1 16 LEU MD2 1 28 LEU HB3 . . 4.430 2.883 2.006 3.634 . 0 0 "[ . 1 . 2]" 1
96 1 16 LEU MD2 1 28 LEU MD1 . . 3.490 2.266 1.707 3.023 . 0 0 "[ . 1 . 2]" 1
97 1 16 LEU MD2 1 28 LEU MD2 . . 4.410 3.757 3.011 4.366 . 0 0 "[ . 1 . 2]" 1
98 1 16 LEU MD2 1 30 TRP QB . . 3.630 3.005 2.425 3.501 . 0 0 "[ . 1 . 2]" 1
99 1 16 LEU MD2 1 30 TRP HE3 . . 3.490 2.007 1.835 2.200 . 0 0 "[ . 1 . 2]" 1
100 1 16 LEU MD2 1 30 TRP HZ3 . . 4.240 2.704 2.293 3.207 . 0 0 "[ . 1 . 2]" 1
101 1 16 LEU MD2 1 46 LEU MD1 . . 4.490 4.060 3.602 4.374 . 0 0 "[ . 1 . 2]" 1
102 1 16 LEU MD2 1 46 LEU MD2 . . 4.050 2.793 2.332 3.112 . 0 0 "[ . 1 . 2]" 1
103 1 16 LEU MD2 1 77 VAL MG1 . . 3.500 2.241 1.902 2.601 . 0 0 "[ . 1 . 2]" 1
104 1 16 LEU MD2 1 77 VAL MG2 . . 4.670 4.092 3.722 4.602 . 0 0 "[ . 1 . 2]" 1
105 1 16 LEU MD2 1 79 VAL HB . . 3.630 2.514 2.208 2.839 . 0 0 "[ . 1 . 2]" 1
106 1 16 LEU MD2 1 79 VAL MG1 . . 3.290 2.140 1.754 2.771 . 0 0 "[ . 1 . 2]" 1
107 1 16 LEU MD2 1 79 VAL MG2 . . 3.900 3.699 3.426 3.909 0.009 15 0 "[ . 1 . 2]" 1
108 1 16 LEU MD2 1 96 PHE HZ . . 5.230 4.360 3.795 5.054 . 0 0 "[ . 1 . 2]" 1
109 1 16 LEU HG 1 30 TRP HB2 . . 5.160 5.013 4.659 5.171 0.011 15 0 "[ . 1 . 2]" 1
110 1 16 LEU HG 1 30 TRP QB . . 4.530 3.751 3.483 3.941 . 0 0 "[ . 1 . 2]" 1
111 1 16 LEU HG 1 30 TRP HB3 . . 5.160 3.875 3.587 4.118 . 0 0 "[ . 1 . 2]" 1
112 1 16 LEU HG 1 30 TRP HE3 . . 4.480 4.075 3.535 4.469 . 0 0 "[ . 1 . 2]" 1
113 1 16 LEU HG 1 79 VAL MG1 . . 4.220 2.716 2.229 3.159 . 0 0 "[ . 1 . 2]" 1
114 1 16 LEU HG 1 94 HIS HE1 . . 4.760 4.379 3.873 4.776 0.016 18 0 "[ . 1 . 2]" 1
115 1 16 LEU HG 1 96 PHE QE . . 5.150 4.806 4.548 5.006 . 0 0 "[ . 1 . 2]" 1
116 1 17 LYS H 1 17 LYS HB2 . . 3.990 3.379 2.901 3.937 . 0 0 "[ . 1 . 2]" 1
117 1 17 LYS H 1 17 LYS HB3 . . 3.590 2.600 2.331 3.000 . 0 0 "[ . 1 . 2]" 1
118 1 17 LYS H 1 17 LYS HG2 . . 4.600 4.055 2.785 4.625 0.025 13 0 "[ . 1 . 2]" 1
119 1 17 LYS H 1 17 LYS HG3 . . 4.600 3.957 2.710 4.608 0.008 11 0 "[ . 1 . 2]" 1
120 1 17 LYS H 1 18 LEU H . . 4.570 4.445 4.324 4.545 . 0 0 "[ . 1 . 2]" 1
121 1 17 LYS H 1 28 LEU HB3 . . 4.900 3.262 2.565 4.060 . 0 0 "[ . 1 . 2]" 1
122 1 17 LYS H 1 28 LEU MD2 . . 4.820 4.195 3.793 4.807 . 0 0 "[ . 1 . 2]" 1
123 1 17 LYS H 1 29 THR H . . 3.700 2.811 2.503 3.264 . 0 0 "[ . 1 . 2]" 1
124 1 17 LYS H 1 29 THR MG . . 4.460 3.773 3.201 4.237 . 0 0 "[ . 1 . 2]" 1
125 1 17 LYS H 1 30 TRP HA . . 4.630 4.121 3.492 4.614 . 0 0 "[ . 1 . 2]" 1
126 1 17 LYS HB2 1 17 LYS QE . . 4.270 3.332 1.994 4.063 . 0 0 "[ . 1 . 2]" 1
127 1 17 LYS HB2 1 18 LEU H . . 4.030 3.629 2.753 4.040 0.010 3 0 "[ . 1 . 2]" 1
128 1 17 LYS HB2 1 19 VAL QG . . 5.440 4.882 4.367 5.321 . 0 0 "[ . 1 . 2]" 1
129 1 17 LYS HB2 1 29 THR H . . 5.490 4.872 4.512 5.359 . 0 0 "[ . 1 . 2]" 1
130 1 17 LYS HB2 1 29 THR MG . . 4.450 3.942 3.477 4.482 0.032 4 0 "[ . 1 . 2]" 1
131 1 17 LYS HB3 1 17 LYS QE . . 4.600 3.768 1.986 4.258 . 0 0 "[ . 1 . 2]" 1
132 1 17 LYS HB3 1 19 VAL QG . . 5.440 4.258 3.504 5.041 . 0 0 "[ . 1 . 2]" 1
133 1 17 LYS HB3 1 29 THR H . . 4.170 3.575 2.917 4.201 0.031 9 0 "[ . 1 . 2]" 1
134 1 17 LYS HB3 1 29 THR MG . . 4.050 2.850 1.973 3.943 . 0 0 "[ . 1 . 2]" 1
135 1 17 LYS QD 1 18 LEU H . . 4.780 3.405 2.261 4.786 0.006 14 0 "[ . 1 . 2]" 1
136 1 17 LYS QD 1 19 VAL QG . . 5.280 3.693 1.779 4.709 . 0 0 "[ . 1 . 2]" 1
137 1 17 LYS QD 1 29 THR MG . . 4.800 3.437 1.838 4.554 . 0 0 "[ . 1 . 2]" 1
138 1 17 LYS QE 1 19 VAL QG . . 4.070 3.381 1.851 4.124 0.054 15 0 "[ . 1 . 2]" 1
139 1 17 LYS QE 1 29 THR MG . . 4.310 3.604 1.851 4.320 0.010 17 0 "[ . 1 . 2]" 1
140 1 17 LYS QG 1 18 LEU H . . 4.230 2.868 2.383 3.990 . 0 0 "[ . 1 . 2]" 1
141 1 17 LYS QG 1 18 LEU HA . . 4.980 3.922 3.699 4.391 . 0 0 "[ . 1 . 2]" 1
142 1 17 LYS QG 1 19 VAL HA . . 4.820 3.615 3.293 4.420 . 0 0 "[ . 1 . 2]" 1
143 1 17 LYS QG 1 19 VAL QG . . 3.770 2.777 2.362 3.040 . 0 0 "[ . 1 . 2]" 1
144 1 17 LYS QG 1 29 THR MG . . 3.550 2.443 1.750 2.884 . 0 0 "[ . 1 . 2]" 1
145 1 17 LYS HG2 1 29 THR MG . . 4.160 2.551 1.909 3.013 . 0 0 "[ . 1 . 2]" 1
146 1 17 LYS HG3 1 29 THR MG . . 4.160 3.251 1.969 4.165 0.005 16 0 "[ . 1 . 2]" 1
147 1 18 LEU H 1 18 LEU HB2 . . 3.320 2.754 2.596 2.901 . 0 0 "[ . 1 . 2]" 1
148 1 18 LEU H 1 18 LEU HB3 . . 3.230 2.412 2.330 2.529 . 0 0 "[ . 1 . 2]" 1
149 1 18 LEU H 1 18 LEU MD1 . . 4.640 4.204 4.065 4.333 . 0 0 "[ . 1 . 2]" 1
150 1 18 LEU H 1 18 LEU MD2 . . 4.650 4.227 4.141 4.340 . 0 0 "[ . 1 . 2]" 1
151 1 18 LEU H 1 28 LEU MD2 . . 4.810 4.134 3.884 4.586 . 0 0 "[ . 1 . 2]" 1
152 1 18 LEU H 1 96 PHE QE . . 4.140 3.497 2.878 4.028 . 0 0 "[ . 1 . 2]" 1
153 1 18 LEU HA 1 18 LEU MD1 . . 3.080 2.211 2.011 2.463 . 0 0 "[ . 1 . 2]" 1
154 1 18 LEU HA 1 18 LEU MD2 . . 4.200 3.907 3.828 3.976 . 0 0 "[ . 1 . 2]" 1
155 1 18 LEU HA 1 18 LEU HG . . 3.820 3.184 3.080 3.267 . 0 0 "[ . 1 . 2]" 1
156 1 18 LEU HA 1 19 VAL H . . 3.160 2.204 2.149 2.285 . 0 0 "[ . 1 . 2]" 1
157 1 18 LEU HA 1 19 VAL MG1 . . 5.150 4.952 4.243 5.312 0.162 8 0 "[ . 1 . 2]" 1
158 1 18 LEU HA 1 19 VAL QG . . 4.420 3.859 3.237 4.349 . 0 0 "[ . 1 . 2]" 1
159 1 18 LEU HA 1 19 VAL MG2 . . 5.150 4.042 3.303 4.628 . 0 0 "[ . 1 . 2]" 1
160 1 18 LEU HA 1 20 LYS H . . 4.470 4.097 3.742 4.518 0.048 18 0 "[ . 1 . 2]" 1
161 1 18 LEU HA 1 28 LEU HA . . 3.790 3.377 3.158 3.607 . 0 0 "[ . 1 . 2]" 1
162 1 18 LEU HA 1 28 LEU MD1 . . 5.090 4.704 4.315 5.100 0.010 19 0 "[ . 1 . 2]" 1
163 1 18 LEU HA 1 28 LEU MD2 . . 3.230 2.128 1.935 2.479 . 0 0 "[ . 1 . 2]" 1
164 1 18 LEU HA 1 29 THR H . . 4.900 4.751 4.372 4.910 0.010 1 0 "[ . 1 . 2]" 1
165 1 18 LEU HB2 1 18 LEU MD2 . . 3.240 2.456 2.368 2.576 . 0 0 "[ . 1 . 2]" 1
166 1 18 LEU HB2 1 19 VAL H . . 4.460 4.465 4.329 4.529 0.069 15 0 "[ . 1 . 2]" 1
167 1 18 LEU HB2 1 28 LEU MD2 . . 3.590 3.422 3.224 3.595 0.005 20 0 "[ . 1 . 2]" 1
168 1 18 LEU HB2 1 96 PHE QD . . 4.220 3.095 2.566 3.410 . 0 0 "[ . 1 . 2]" 1
169 1 18 LEU HB2 1 96 PHE QE . . 3.890 2.682 2.028 3.161 . 0 0 "[ . 1 . 2]" 1
170 1 18 LEU HB3 1 18 LEU MD2 . . 3.160 2.208 2.105 2.312 . 0 0 "[ . 1 . 2]" 1
171 1 18 LEU HB3 1 28 LEU MD2 . . 4.800 4.488 4.342 4.742 . 0 0 "[ . 1 . 2]" 1
172 1 18 LEU HB3 1 96 PHE QD . . 4.580 4.436 4.071 4.584 0.004 19 0 "[ . 1 . 2]" 1
173 1 18 LEU HB3 1 96 PHE QE . . 4.100 3.792 3.301 4.099 . 0 0 "[ . 1 . 2]" 1
174 1 18 LEU MD1 1 19 VAL H . . 3.520 3.196 2.856 3.540 0.020 12 0 "[ . 1 . 2]" 1
175 1 18 LEU MD1 1 20 LYS H . . 3.740 3.123 2.722 3.634 . 0 0 "[ . 1 . 2]" 1
176 1 18 LEU MD1 1 20 LYS HA . . 5.480 4.235 3.932 4.561 . 0 0 "[ . 1 . 2]" 1
177 1 18 LEU MD1 1 21 LYS H . . 4.900 3.853 2.976 4.209 . 0 0 "[ . 1 . 2]" 1
178 1 18 LEU MD1 1 21 LYS HA . . 3.900 2.636 2.225 2.919 . 0 0 "[ . 1 . 2]" 1
179 1 18 LEU MD1 1 21 LYS QB . . 3.650 2.646 1.968 3.151 . 0 0 "[ . 1 . 2]" 1
180 1 18 LEU MD1 1 21 LYS HD2 . . 5.300 5.003 3.719 5.309 0.009 11 0 "[ . 1 . 2]" 1
181 1 18 LEU MD1 1 21 LYS QD . . 4.640 4.117 3.546 4.643 0.003 5 0 "[ . 1 . 2]" 1
182 1 18 LEU MD1 1 21 LYS HD3 . . 5.300 4.498 3.654 5.301 0.001 14 0 "[ . 1 . 2]" 1
183 1 18 LEU MD1 1 21 LYS QE . . 5.150 4.447 3.165 5.082 . 0 0 "[ . 1 . 2]" 1
184 1 18 LEU MD1 1 26 LEU QD . . 3.060 2.151 1.703 2.552 . 0 0 "[ . 1 . 2]" 1
185 1 18 LEU MD1 1 27 GLU H . . 3.870 3.535 3.214 3.883 0.013 15 0 "[ . 1 . 2]" 1
186 1 18 LEU MD1 1 28 LEU HA . . 5.220 4.370 3.920 4.701 . 0 0 "[ . 1 . 2]" 1
187 1 18 LEU MD1 1 28 LEU MD2 . . 3.000 2.384 1.878 2.791 . 0 0 "[ . 1 . 2]" 1
188 1 18 LEU MD1 1 96 PHE HB2 . . 5.030 4.861 4.681 5.039 0.009 18 0 "[ . 1 . 2]" 1
189 1 18 LEU MD1 1 96 PHE HB3 . . 4.700 3.571 3.412 3.772 . 0 0 "[ . 1 . 2]" 1
190 1 18 LEU MD1 1 96 PHE QD . . 3.710 3.436 2.510 3.709 . 0 0 "[ . 1 . 2]" 1
191 1 18 LEU MD1 1 96 PHE QE . . 4.500 4.031 3.271 4.401 . 0 0 "[ . 1 . 2]" 1
192 1 18 LEU MD1 1 96 PHE HZ . . 5.500 5.208 4.750 5.493 . 0 0 "[ . 1 . 2]" 1
193 1 18 LEU MD1 1 97 ARG H . . 4.480 4.415 4.181 4.486 0.006 12 0 "[ . 1 . 2]" 1
194 1 18 LEU MD2 1 19 VAL H . . 5.230 5.091 4.888 5.243 0.013 12 0 "[ . 1 . 2]" 1
195 1 18 LEU MD2 1 20 LYS H . . 5.460 5.202 4.850 5.494 0.034 18 0 "[ . 1 . 2]" 1
196 1 18 LEU MD2 1 21 LYS H . . 4.950 4.145 3.419 4.487 . 0 0 "[ . 1 . 2]" 1
197 1 18 LEU MD2 1 21 LYS HA . . 4.590 3.717 3.267 4.416 . 0 0 "[ . 1 . 2]" 1
198 1 18 LEU MD2 1 21 LYS HB2 . . 3.520 2.224 1.953 3.530 0.010 11 0 "[ . 1 . 2]" 1
199 1 18 LEU MD2 1 21 LYS HB3 . . 3.520 3.179 1.955 3.522 0.002 13 0 "[ . 1 . 2]" 1
200 1 18 LEU MD2 1 21 LYS HD2 . . 5.070 3.894 2.140 4.538 . 0 0 "[ . 1 . 2]" 1
201 1 18 LEU MD2 1 21 LYS HD3 . . 5.070 3.310 2.220 4.423 . 0 0 "[ . 1 . 2]" 1
202 1 18 LEU MD2 1 21 LYS QE . . 3.660 2.935 1.892 3.686 0.026 3 0 "[ . 1 . 2]" 1
203 1 18 LEU MD2 1 21 LYS QG . . 3.720 2.934 1.876 3.739 0.019 9 0 "[ . 1 . 2]" 1
204 1 18 LEU MD2 1 28 LEU MD2 . . 4.560 4.317 3.936 4.577 0.017 17 0 "[ . 1 . 2]" 1
205 1 18 LEU MD2 1 96 PHE HB2 . . 5.500 5.489 5.318 5.507 0.007 20 0 "[ . 1 . 2]" 1
206 1 18 LEU MD2 1 96 PHE HB3 . . 4.600 4.007 3.809 4.063 . 0 0 "[ . 1 . 2]" 1
207 1 18 LEU MD2 1 96 PHE QD . . 3.810 3.113 2.613 3.410 . 0 0 "[ . 1 . 2]" 1
208 1 18 LEU MD2 1 96 PHE QE . . 4.460 3.996 3.466 4.337 . 0 0 "[ . 1 . 2]" 1
209 1 18 LEU MD2 1 97 ARG H . . 3.830 3.628 3.347 3.818 . 0 0 "[ . 1 . 2]" 1
210 1 18 LEU HG 1 19 VAL H . . 4.000 3.890 3.526 4.042 0.042 12 0 "[ . 1 . 2]" 1
211 1 18 LEU HG 1 19 VAL HA . . 5.180 4.548 4.046 4.745 . 0 0 "[ . 1 . 2]" 1
212 1 18 LEU HG 1 20 LYS H . . 4.330 3.963 3.518 4.306 . 0 0 "[ . 1 . 2]" 1
213 1 19 VAL H 1 19 VAL HB . . 3.610 2.806 2.186 3.604 . 0 0 "[ . 1 . 2]" 1
214 1 19 VAL H 1 19 VAL MG1 . . 3.510 3.265 2.483 3.591 0.081 11 0 "[ . 1 . 2]" 1
215 1 19 VAL H 1 19 VAL QG . . 3.060 2.352 1.736 2.964 . 0 0 "[ . 1 . 2]" 1
216 1 19 VAL H 1 19 VAL MG2 . . 3.510 2.437 1.747 3.182 . 0 0 "[ . 1 . 2]" 1
217 1 19 VAL H 1 20 LYS H . . 3.100 2.687 2.236 3.072 . 0 0 "[ . 1 . 2]" 1
218 1 19 VAL H 1 20 LYS QB . . 5.340 4.845 4.316 5.178 . 0 0 "[ . 1 . 2]" 1
219 1 19 VAL H 1 26 LEU QD . . 5.440 5.184 4.742 5.461 0.021 6 0 "[ . 1 . 2]" 1
220 1 19 VAL H 1 28 LEU HA . . 3.760 2.627 2.173 3.114 . 0 0 "[ . 1 . 2]" 1
221 1 19 VAL H 1 28 LEU MD2 . . 3.870 2.900 2.402 3.499 . 0 0 "[ . 1 . 2]" 1
222 1 19 VAL HA 1 19 VAL MG1 . . 3.320 2.398 1.978 2.692 . 0 0 "[ . 1 . 2]" 1
223 1 19 VAL HA 1 19 VAL MG2 . . 3.320 2.545 1.993 3.183 . 0 0 "[ . 1 . 2]" 1
224 1 19 VAL HA 1 29 THR MG . . 4.780 4.150 3.794 4.487 . 0 0 "[ . 1 . 2]" 1
225 1 19 VAL HB 1 20 LYS H . . 3.480 2.761 2.436 3.281 . 0 0 "[ . 1 . 2]" 1
226 1 19 VAL HB 1 27 GLU H . . 5.500 4.995 3.921 5.576 0.076 16 0 "[ . 1 . 2]" 1
227 1 19 VAL QG 1 20 LYS H . . 3.310 2.089 1.748 2.550 . 0 0 "[ . 1 . 2]" 1
228 1 19 VAL QG 1 20 LYS HA . . 4.710 3.683 3.287 4.180 . 0 0 "[ . 1 . 2]" 1
229 1 19 VAL QG 1 20 LYS QB . . 3.370 2.537 2.044 3.412 0.042 18 0 "[ . 1 . 2]" 1
230 1 19 VAL QG 1 20 LYS QD . . 5.440 4.157 3.363 4.974 . 0 0 "[ . 1 . 2]" 1
231 1 19 VAL QG 1 27 GLU H . . 4.410 3.722 2.852 4.425 0.015 15 0 "[ . 1 . 2]" 1
232 1 19 VAL QG 1 27 GLU HB3 . . 3.700 2.052 1.805 2.507 . 0 0 "[ . 1 . 2]" 1
233 1 19 VAL QG 1 27 GLU QG . . 3.860 2.357 1.919 3.161 . 0 0 "[ . 1 . 2]" 1
234 1 19 VAL QG 1 28 LEU HA . . 3.690 2.790 2.213 3.440 . 0 0 "[ . 1 . 2]" 1
235 1 19 VAL QG 1 28 LEU MD2 . . 4.710 3.789 3.195 4.386 . 0 0 "[ . 1 . 2]" 1
236 1 19 VAL QG 1 29 THR H . . 3.760 3.168 2.727 3.614 . 0 0 "[ . 1 . 2]" 1
237 1 19 VAL QG 1 29 THR HB . . 3.360 2.757 2.116 3.279 . 0 0 "[ . 1 . 2]" 1
238 1 19 VAL QG 1 29 THR MG . . 2.790 1.857 1.728 2.061 . 0 0 "[ . 1 . 2]" 1
239 1 19 VAL MG1 1 28 LEU HA . . 4.320 4.087 2.993 4.340 0.020 9 0 "[ . 1 . 2]" 1
240 1 19 VAL MG1 1 28 LEU MD2 . . 5.500 4.866 4.247 5.043 . 0 0 "[ . 1 . 2]" 1
241 1 19 VAL MG2 1 28 LEU HA . . 4.320 2.870 2.229 3.610 . 0 0 "[ . 1 . 2]" 1
242 1 19 VAL MG2 1 28 LEU MD2 . . 5.500 4.000 3.239 4.843 . 0 0 "[ . 1 . 2]" 1
243 1 20 LYS H 1 20 LYS HB2 . . 4.060 3.083 2.708 3.552 . 0 0 "[ . 1 . 2]" 1
244 1 20 LYS H 1 20 LYS QB . . 3.560 2.566 2.417 2.703 . 0 0 "[ . 1 . 2]" 1
245 1 20 LYS H 1 20 LYS HB3 . . 4.060 2.767 2.594 2.898 . 0 0 "[ . 1 . 2]" 1
246 1 20 LYS H 1 20 LYS QG . . 4.820 4.106 3.940 4.203 . 0 0 "[ . 1 . 2]" 1
247 1 20 LYS H 1 21 LYS H . . 4.350 4.236 3.872 4.444 0.094 12 0 "[ . 1 . 2]" 1
248 1 20 LYS H 1 26 LEU QD . . 5.440 4.417 4.036 4.793 . 0 0 "[ . 1 . 2]" 1
249 1 20 LYS H 1 27 GLU H . . 3.740 3.074 2.645 3.609 . 0 0 "[ . 1 . 2]" 1
250 1 20 LYS H 1 27 GLU HB3 . . 3.600 2.712 2.089 3.494 . 0 0 "[ . 1 . 2]" 1
251 1 20 LYS H 1 27 GLU QG . . 4.820 4.296 3.877 4.820 . 0 0 "[ . 1 . 2]" 1
252 1 20 LYS H 1 28 LEU HA . . 5.030 4.486 3.915 5.056 0.026 17 0 "[ . 1 . 2]" 1
253 1 20 LYS H 1 28 LEU MD2 . . 4.850 4.202 3.747 4.750 . 0 0 "[ . 1 . 2]" 1
254 1 20 LYS HA 1 20 LYS QD . . 4.530 3.346 2.186 4.187 . 0 0 "[ . 1 . 2]" 1
255 1 20 LYS HA 1 20 LYS HG2 . . 4.010 3.480 2.897 3.871 . 0 0 "[ . 1 . 2]" 1
256 1 20 LYS HA 1 20 LYS HG3 . . 4.010 2.616 2.295 2.897 . 0 0 "[ . 1 . 2]" 1
257 1 20 LYS HA 1 21 LYS H . . 2.850 2.166 2.139 2.200 . 0 0 "[ . 1 . 2]" 1
258 1 20 LYS QB 1 27 GLU H . . 4.330 3.098 1.893 4.314 . 0 0 "[ . 1 . 2]" 1
259 1 20 LYS QB 1 27 GLU HB3 . . 3.540 2.635 1.816 3.571 0.031 16 0 "[ . 1 . 2]" 1
260 1 20 LYS QE 1 20 LYS QG . . 3.200 2.179 2.036 2.376 . 0 0 "[ . 1 . 2]" 1
261 1 20 LYS QE 1 22 GLU QG . . 4.290 3.070 2.040 4.299 0.009 12 0 "[ . 1 . 2]" 1
262 1 20 LYS QG 1 21 LYS H . . 4.480 2.829 2.405 3.479 . 0 0 "[ . 1 . 2]" 1
263 1 20 LYS QG 1 22 GLU QG . . 3.510 2.322 1.954 2.914 . 0 0 "[ . 1 . 2]" 1
264 1 20 LYS HG2 1 22 GLU HG2 . . 4.960 3.439 1.996 4.835 . 0 0 "[ . 1 . 2]" 1
265 1 20 LYS HG2 1 22 GLU HG3 . . 4.960 2.990 2.283 4.620 . 0 0 "[ . 1 . 2]" 1
266 1 20 LYS HG3 1 22 GLU HG2 . . 4.960 3.595 2.156 4.965 0.005 15 0 "[ . 1 . 2]" 1
267 1 20 LYS HG3 1 22 GLU HG3 . . 4.960 3.588 2.243 4.931 . 0 0 "[ . 1 . 2]" 1
268 1 21 LYS H 1 21 LYS HB2 . . 4.040 3.023 2.560 3.671 . 0 0 "[ . 1 . 2]" 1
269 1 21 LYS H 1 21 LYS QB . . 3.360 2.377 2.234 2.556 . 0 0 "[ . 1 . 2]" 1
270 1 21 LYS H 1 21 LYS HB3 . . 4.040 2.536 2.278 2.791 . 0 0 "[ . 1 . 2]" 1
271 1 21 LYS H 1 21 LYS QG . . 4.120 3.763 2.385 4.092 . 0 0 "[ . 1 . 2]" 1
272 1 21 LYS H 1 22 GLU H . . 4.810 4.129 3.786 4.603 . 0 0 "[ . 1 . 2]" 1
273 1 21 LYS HA 1 21 LYS QG . . 4.020 2.600 2.185 3.320 . 0 0 "[ . 1 . 2]" 1
274 1 21 LYS HA 1 22 GLU H . . 3.010 2.229 2.145 2.347 . 0 0 "[ . 1 . 2]" 1
275 1 21 LYS HA 1 26 LEU QD . . 3.240 2.062 1.767 2.582 . 0 0 "[ . 1 . 2]" 1
276 1 21 LYS QB 1 21 LYS QD . . 2.980 2.197 2.034 2.378 . 0 0 "[ . 1 . 2]" 1
277 1 21 LYS QB 1 22 GLU H . . 4.030 3.805 2.688 4.033 0.003 13 0 "[ . 1 . 2]" 1
278 1 21 LYS QB 1 26 LEU QD . . 4.570 3.279 1.892 4.049 . 0 0 "[ . 1 . 2]" 1
279 1 21 LYS HB2 1 21 LYS QE . . 4.240 3.052 2.119 4.007 . 0 0 "[ . 1 . 2]" 1
280 1 21 LYS HB2 1 22 GLU H . . 4.630 4.252 2.729 4.660 0.030 3 0 "[ . 1 . 2]" 1
281 1 21 LYS HB3 1 21 LYS QE . . 4.240 2.699 1.972 4.221 . 0 0 "[ . 1 . 2]" 1
282 1 21 LYS HB3 1 22 GLU H . . 4.630 4.392 4.035 4.545 . 0 0 "[ . 1 . 2]" 1
283 1 21 LYS QD 1 26 LEU QD . . 4.810 4.032 3.436 4.722 . 0 0 "[ . 1 . 2]" 1
284 1 21 LYS QD 1 98 THR HA . . 4.090 3.438 2.596 4.091 0.001 8 0 "[ . 1 . 2]" 1
285 1 21 LYS QD 1 99 SER HA . . 4.050 2.779 2.233 3.984 . 0 0 "[ . 1 . 2]" 1
286 1 21 LYS QD 1 99 SER QB . . 4.510 3.540 2.028 4.237 . 0 0 "[ . 1 . 2]" 1
287 1 21 LYS HD2 1 99 SER HA . . 4.630 3.199 2.518 4.375 . 0 0 "[ . 1 . 2]" 1
288 1 21 LYS HD3 1 99 SER HA . . 4.630 3.676 2.261 4.648 0.018 19 0 "[ . 1 . 2]" 1
289 1 21 LYS QE 1 21 LYS QG . . 3.340 2.280 2.061 2.672 . 0 0 "[ . 1 . 2]" 1
290 1 21 LYS QE 1 99 SER HA . . 4.650 3.587 2.006 4.646 . 0 0 "[ . 1 . 2]" 1
291 1 21 LYS QG 1 22 GLU H . . 4.270 3.446 2.745 4.017 . 0 0 "[ . 1 . 2]" 1
292 1 21 LYS QG 1 26 LEU QD . . 3.540 2.973 2.613 3.554 0.014 18 0 "[ . 1 . 2]" 1
293 1 21 LYS QG 1 98 THR HA . . 4.080 2.747 1.945 3.901 . 0 0 "[ . 1 . 2]" 1
294 1 21 LYS QG 1 99 SER H . . 4.350 2.630 1.883 3.990 . 0 0 "[ . 1 . 2]" 1
295 1 21 LYS QG 1 99 SER HA . . 4.760 3.263 2.288 4.435 . 0 0 "[ . 1 . 2]" 1
296 1 21 LYS QG 1 99 SER QB . . 4.590 2.854 2.095 4.069 . 0 0 "[ . 1 . 2]" 1
297 1 22 GLU H 1 22 GLU QB . . 3.370 2.448 2.302 2.688 . 0 0 "[ . 1 . 2]" 1
298 1 22 GLU H 1 22 GLU HG2 . . 4.610 3.666 2.879 4.554 . 0 0 "[ . 1 . 2]" 1
299 1 22 GLU H 1 22 GLU QG . . 3.880 3.222 2.808 3.683 . 0 0 "[ . 1 . 2]" 1
300 1 22 GLU H 1 22 GLU HG3 . . 4.610 3.839 3.135 4.518 . 0 0 "[ . 1 . 2]" 1
301 1 22 GLU H 1 23 PRO QD . . 4.720 4.362 4.328 4.377 . 0 0 "[ . 1 . 2]" 1
302 1 22 GLU H 1 25 GLN H . . 4.300 3.989 3.826 4.238 . 0 0 "[ . 1 . 2]" 1
303 1 22 GLU H 1 26 LEU QD . . 3.630 2.153 1.875 2.743 . 0 0 "[ . 1 . 2]" 1
304 1 22 GLU H 1 98 THR HA . . 4.580 4.133 3.419 4.578 . 0 0 "[ . 1 . 2]" 1
305 1 22 GLU H 1 98 THR HB . . 5.430 4.652 4.073 5.240 . 0 0 "[ . 1 . 2]" 1
306 1 22 GLU H 1 98 THR MG . . 4.470 4.014 3.376 4.461 . 0 0 "[ . 1 . 2]" 1
307 1 22 GLU HA 1 22 GLU HG2 . . 3.940 2.480 2.154 2.804 . 0 0 "[ . 1 . 2]" 1
308 1 22 GLU HA 1 22 GLU QG . . 3.360 2.411 2.121 2.735 . 0 0 "[ . 1 . 2]" 1
309 1 22 GLU HA 1 22 GLU HG3 . . 3.940 3.403 2.545 3.796 . 0 0 "[ . 1 . 2]" 1
310 1 22 GLU HA 1 23 PRO QD . . 3.230 2.120 2.068 2.164 . 0 0 "[ . 1 . 2]" 1
311 1 22 GLU HA 1 25 GLN H . . 4.640 4.471 4.142 4.638 . 0 0 "[ . 1 . 2]" 1
312 1 22 GLU QB 1 23 PRO QD . . 3.060 2.008 1.950 2.176 . 0 0 "[ . 1 . 2]" 1
313 1 22 GLU QB 1 25 GLN H . . 3.450 2.450 1.917 2.677 . 0 0 "[ . 1 . 2]" 1
314 1 22 GLU QB 1 26 LEU QD . . 4.950 3.789 3.502 4.106 . 0 0 "[ . 1 . 2]" 1
315 1 22 GLU HB2 1 23 PRO QD . . 3.580 3.511 3.443 3.611 0.031 6 0 "[ . 1 . 2]" 1
316 1 22 GLU HB2 1 24 ARG H . . 4.750 3.702 3.087 4.220 . 0 0 "[ . 1 . 2]" 1
317 1 22 GLU HB2 1 25 GLN H . . 4.150 2.777 2.033 3.091 . 0 0 "[ . 1 . 2]" 1
318 1 22 GLU HB3 1 23 PRO QD . . 3.580 2.020 1.961 2.193 . 0 0 "[ . 1 . 2]" 1
319 1 22 GLU HB3 1 24 ARG H . . 4.750 2.496 2.292 2.885 . 0 0 "[ . 1 . 2]" 1
320 1 22 GLU HB3 1 25 GLN H . . 4.150 2.765 1.984 3.083 . 0 0 "[ . 1 . 2]" 1
321 1 22 GLU QG 1 23 PRO QD . . 3.750 3.055 2.388 3.663 . 0 0 "[ . 1 . 2]" 1
322 1 22 GLU HG2 1 23 PRO QD . . 4.420 3.269 2.418 4.037 . 0 0 "[ . 1 . 2]" 1
323 1 22 GLU HG3 1 23 PRO QD . . 4.420 3.906 3.573 4.208 . 0 0 "[ . 1 . 2]" 1
324 1 23 PRO QB 1 24 ARG H . . 3.940 3.266 2.920 3.496 . 0 0 "[ . 1 . 2]" 1
325 1 23 PRO QB 1 24 ARG HG3 . . 4.460 2.660 2.448 2.929 . 0 0 "[ . 1 . 2]" 1
326 1 23 PRO QB 1 99 SER QB . . 4.370 2.833 2.533 3.165 . 0 0 "[ . 1 . 2]" 1
327 1 23 PRO QB 1 101 PRO HA . . 3.750 3.513 3.099 3.752 0.002 17 0 "[ . 1 . 2]" 1
328 1 23 PRO HB2 1 101 PRO HA . . 4.620 4.285 3.717 4.629 0.009 19 0 "[ . 1 . 2]" 1
329 1 23 PRO HB3 1 101 PRO HA . . 4.620 3.737 3.255 3.990 . 0 0 "[ . 1 . 2]" 1
330 1 23 PRO QD 1 24 ARG H . . 4.330 2.627 2.601 2.701 . 0 0 "[ . 1 . 2]" 1
331 1 23 PRO QD 1 24 ARG QD . . 5.340 5.050 4.668 5.321 . 0 0 "[ . 1 . 2]" 1
332 1 23 PRO QD 1 25 GLN H . . 4.920 3.949 3.548 4.174 . 0 0 "[ . 1 . 2]" 1
333 1 23 PRO QD 1 99 SER QB . . 4.480 1.975 1.937 2.112 . 0 0 "[ . 1 . 2]" 1
334 1 23 PRO HG2 1 24 ARG H . . 4.070 2.479 2.013 2.861 . 0 0 "[ . 1 . 2]" 1
335 1 23 PRO HG2 1 24 ARG QD . . 3.890 3.630 3.043 3.883 . 0 0 "[ . 1 . 2]" 1
336 1 23 PRO HG2 1 24 ARG HG3 . . 4.040 2.895 2.696 3.079 . 0 0 "[ . 1 . 2]" 1
337 1 23 PRO HG2 1 25 GLN H . . 5.180 4.665 4.353 4.925 . 0 0 "[ . 1 . 2]" 1
338 1 23 PRO HG2 1 99 SER QB . . 4.400 4.315 4.075 4.416 0.016 18 0 "[ . 1 . 2]" 1
339 1 23 PRO HG3 1 24 ARG HG3 . . 4.440 4.345 4.121 4.439 . 0 0 "[ . 1 . 2]" 1
340 1 23 PRO HG3 1 99 SER QB . . 3.650 3.497 3.315 3.675 0.025 15 0 "[ . 1 . 2]" 1
341 1 24 ARG H 1 24 ARG QB . . 3.650 2.628 2.525 2.713 . 0 0 "[ . 1 . 2]" 1
342 1 24 ARG H 1 24 ARG QD . . 4.830 4.099 3.826 4.348 . 0 0 "[ . 1 . 2]" 1
343 1 24 ARG H 1 24 ARG HG2 . . 4.690 4.173 4.057 4.280 . 0 0 "[ . 1 . 2]" 1
344 1 24 ARG H 1 24 ARG HG3 . . 4.420 2.984 2.643 3.198 . 0 0 "[ . 1 . 2]" 1
345 1 24 ARG H 1 25 GLN H . . 3.340 2.246 1.755 2.561 . 0 0 "[ . 1 . 2]" 1
346 1 24 ARG H 1 25 GLN QB . . 5.130 3.699 3.611 3.847 . 0 0 "[ . 1 . 2]" 1
347 1 24 ARG HA 1 24 ARG QD . . 4.640 4.157 4.022 4.275 . 0 0 "[ . 1 . 2]" 1
348 1 24 ARG HA 1 24 ARG HG2 . . 3.820 2.693 2.539 2.962 . 0 0 "[ . 1 . 2]" 1
349 1 24 ARG HA 1 24 ARG HG3 . . 4.010 2.946 2.846 3.063 . 0 0 "[ . 1 . 2]" 1
350 1 24 ARG HA 1 69 LEU HB2 . . 4.100 2.550 2.216 3.038 . 0 0 "[ . 1 . 2]" 1
351 1 24 ARG HA 1 69 LEU MD1 . . 4.860 4.006 3.600 4.560 . 0 0 "[ . 1 . 2]" 1
352 1 24 ARG HA 1 98 THR MG . . 4.770 4.502 4.125 4.770 . 0 0 "[ . 1 . 2]" 1
353 1 24 ARG QB 1 24 ARG QD . . 2.980 2.161 2.082 2.347 . 0 0 "[ . 1 . 2]" 1
354 1 24 ARG QB 1 25 GLN H . . 4.190 3.627 2.923 3.789 . 0 0 "[ . 1 . 2]" 1
355 1 24 ARG QB 1 68 LYS H . . 4.130 3.672 3.236 4.046 . 0 0 "[ . 1 . 2]" 1
356 1 24 ARG QB 1 68 LYS HA . . 4.370 3.749 3.329 4.213 . 0 0 "[ . 1 . 2]" 1
357 1 24 ARG QB 1 69 LEU H . . 3.640 3.166 2.730 3.606 . 0 0 "[ . 1 . 2]" 1
358 1 24 ARG QB 1 69 LEU HB2 . . 4.720 4.294 4.024 4.586 . 0 0 "[ . 1 . 2]" 1
359 1 24 ARG HB2 1 24 ARG HD2 . . 4.160 3.076 2.257 3.610 . 0 0 "[ . 1 . 2]" 1
360 1 24 ARG HB2 1 24 ARG HD3 . . 4.160 2.543 2.219 3.573 . 0 0 "[ . 1 . 2]" 1
361 1 24 ARG HB3 1 24 ARG HD2 . . 4.160 3.558 2.782 3.857 . 0 0 "[ . 1 . 2]" 1
362 1 24 ARG HB3 1 24 ARG HD3 . . 4.160 2.869 2.407 3.850 . 0 0 "[ . 1 . 2]" 1
363 1 24 ARG HG2 1 71 PRO HB3 . . 5.140 4.877 4.518 5.135 . 0 0 "[ . 1 . 2]" 1
364 1 24 ARG HG2 1 71 PRO HD2 . . 4.880 4.768 4.488 4.887 0.007 1 0 "[ . 1 . 2]" 1
365 1 24 ARG HG2 1 71 PRO HD3 . . 4.030 3.170 2.879 3.315 . 0 0 "[ . 1 . 2]" 1
366 1 24 ARG HG2 1 71 PRO HG3 . . 4.870 4.781 4.455 4.874 0.004 6 0 "[ . 1 . 2]" 1
367 1 24 ARG HG3 1 71 PRO HD2 . . 5.500 5.301 5.072 5.492 . 0 0 "[ . 1 . 2]" 1
368 1 24 ARG HG3 1 71 PRO HD3 . . 4.610 3.533 3.319 3.748 . 0 0 "[ . 1 . 2]" 1
369 1 24 ARG HG3 1 71 PRO HG3 . . 4.590 4.539 4.378 4.606 0.016 15 0 "[ . 1 . 2]" 1
370 1 25 GLN H 1 25 GLN HB2 . . 4.140 3.281 2.921 3.557 . 0 0 "[ . 1 . 2]" 1
371 1 25 GLN H 1 25 GLN QB . . 3.640 2.803 2.451 2.900 . 0 0 "[ . 1 . 2]" 1
372 1 25 GLN H 1 25 GLN HB3 . . 4.140 3.059 2.633 3.266 . 0 0 "[ . 1 . 2]" 1
373 1 25 GLN H 1 25 GLN HG2 . . 4.970 4.653 4.492 4.816 . 0 0 "[ . 1 . 2]" 1
374 1 25 GLN H 1 25 GLN QG . . 4.330 4.214 4.128 4.260 . 0 0 "[ . 1 . 2]" 1
375 1 25 GLN H 1 25 GLN HG3 . . 4.970 4.828 4.661 5.008 0.038 15 0 "[ . 1 . 2]" 1
376 1 25 GLN H 1 26 LEU QD . . 5.110 4.217 3.792 4.643 . 0 0 "[ . 1 . 2]" 1
377 1 25 GLN H 1 69 LEU HB2 . . 5.330 3.563 3.127 4.331 . 0 0 "[ . 1 . 2]" 1
378 1 25 GLN H 1 69 LEU MD1 . . 4.520 3.253 2.641 3.889 . 0 0 "[ . 1 . 2]" 1
379 1 25 GLN H 1 98 THR MG . . 4.230 3.874 3.508 4.234 0.004 12 0 "[ . 1 . 2]" 1
380 1 25 GLN HA 1 25 GLN HG2 . . 3.780 2.886 2.221 3.278 . 0 0 "[ . 1 . 2]" 1
381 1 25 GLN HA 1 25 GLN QG . . 3.300 2.366 2.197 2.515 . 0 0 "[ . 1 . 2]" 1
382 1 25 GLN HA 1 25 GLN HG3 . . 3.780 2.664 2.332 3.594 . 0 0 "[ . 1 . 2]" 1
383 1 25 GLN HA 1 26 LEU H . . 2.980 2.321 2.197 2.465 . 0 0 "[ . 1 . 2]" 1
384 1 25 GLN HA 1 26 LEU HB2 . . 4.920 4.127 3.981 4.285 . 0 0 "[ . 1 . 2]" 1
385 1 25 GLN HA 1 67 THR HA . . 3.720 2.477 2.258 2.677 . 0 0 "[ . 1 . 2]" 1
386 1 25 GLN HA 1 67 THR HB . . 4.880 4.622 4.272 4.878 . 0 0 "[ . 1 . 2]" 1
387 1 25 GLN HA 1 67 THR MG . . 4.130 3.444 2.952 3.883 . 0 0 "[ . 1 . 2]" 1
388 1 25 GLN HA 1 69 LEU MD1 . . 3.640 2.343 1.986 2.859 . 0 0 "[ . 1 . 2]" 1
389 1 25 GLN HA 1 69 LEU HG . . 4.430 3.358 2.965 4.035 . 0 0 "[ . 1 . 2]" 1
390 1 25 GLN QB 1 25 GLN QE . . 3.950 3.063 2.310 3.649 . 0 0 "[ . 1 . 2]" 1
391 1 25 GLN QB 1 26 LEU H . . 3.820 3.356 3.055 3.626 . 0 0 "[ . 1 . 2]" 1
392 1 25 GLN QB 1 67 THR HA . . 4.520 3.655 3.329 4.063 . 0 0 "[ . 1 . 2]" 1
393 1 25 GLN HB2 1 67 THR HA . . 5.260 3.768 3.397 4.250 . 0 0 "[ . 1 . 2]" 1
394 1 25 GLN HB3 1 67 THR HA . . 5.260 4.957 4.774 5.190 . 0 0 "[ . 1 . 2]" 1
395 1 25 GLN QE 1 65 LEU QD . . 3.280 2.190 1.750 3.117 . 0 0 "[ . 1 . 2]" 1
396 1 25 GLN HE21 1 65 LEU MD1 . . 4.260 2.959 1.957 4.098 . 0 0 "[ . 1 . 2]" 1
397 1 25 GLN HE21 1 65 LEU MD2 . . 4.260 2.598 1.859 4.140 . 0 0 "[ . 1 . 2]" 1
398 1 25 GLN HE22 1 65 LEU MD1 . . 4.260 3.485 2.880 4.265 0.005 16 0 "[ . 1 . 2]" 1
399 1 25 GLN HE22 1 65 LEU MD2 . . 4.260 3.119 2.485 4.123 . 0 0 "[ . 1 . 2]" 1
400 1 25 GLN QG 1 26 LEU H . . 3.590 2.107 1.861 2.489 . 0 0 "[ . 1 . 2]" 1
401 1 25 GLN QG 1 65 LEU QD . . 3.070 2.132 1.892 2.539 . 0 0 "[ . 1 . 2]" 1
402 1 25 GLN QG 1 65 LEU HG . . 5.330 4.444 4.079 4.976 . 0 0 "[ . 1 . 2]" 1
403 1 25 GLN QG 1 67 THR HA . . 3.940 2.981 2.448 3.735 . 0 0 "[ . 1 . 2]" 1
404 1 25 GLN QG 1 67 THR HB . . 5.340 4.201 3.717 4.857 . 0 0 "[ . 1 . 2]" 1
405 1 25 GLN QG 1 67 THR MG . . 3.560 2.119 1.826 2.493 . 0 0 "[ . 1 . 2]" 1
406 1 25 GLN HG2 1 26 LEU H . . 4.340 2.223 1.903 2.967 . 0 0 "[ . 1 . 2]" 1
407 1 25 GLN HG2 1 65 LEU MD1 . . 4.620 2.745 2.081 3.541 . 0 0 "[ . 1 . 2]" 1
408 1 25 GLN HG2 1 65 LEU MD2 . . 4.620 3.071 2.259 3.936 . 0 0 "[ . 1 . 2]" 1
409 1 25 GLN HG2 1 67 THR MG . . 4.200 3.386 1.969 4.072 . 0 0 "[ . 1 . 2]" 1
410 1 25 GLN HG3 1 26 LEU H . . 4.340 2.912 2.437 3.639 . 0 0 "[ . 1 . 2]" 1
411 1 25 GLN HG3 1 65 LEU MD1 . . 4.620 2.392 2.008 3.056 . 0 0 "[ . 1 . 2]" 1
412 1 25 GLN HG3 1 65 LEU MD2 . . 4.620 3.583 2.946 4.082 . 0 0 "[ . 1 . 2]" 1
413 1 25 GLN HG3 1 67 THR MG . . 4.200 2.203 1.977 2.936 . 0 0 "[ . 1 . 2]" 1
414 1 26 LEU H 1 26 LEU HB2 . . 3.670 2.814 2.693 2.910 . 0 0 "[ . 1 . 2]" 1
415 1 26 LEU H 1 26 LEU HB3 . . 3.940 3.795 3.737 3.881 . 0 0 "[ . 1 . 2]" 1
416 1 26 LEU H 1 26 LEU QD . . 4.680 3.889 3.818 3.967 . 0 0 "[ . 1 . 2]" 1
417 1 26 LEU H 1 65 LEU MD1 . . 4.210 3.309 2.840 3.945 . 0 0 "[ . 1 . 2]" 1
418 1 26 LEU H 1 65 LEU MD2 . . 4.210 3.819 3.086 4.186 . 0 0 "[ . 1 . 2]" 1
419 1 26 LEU H 1 66 LEU H . . 3.810 3.287 3.028 3.594 . 0 0 "[ . 1 . 2]" 1
420 1 26 LEU H 1 66 LEU HB2 . . 3.820 3.211 2.949 3.579 . 0 0 "[ . 1 . 2]" 1
421 1 26 LEU H 1 66 LEU QD . . 5.440 4.409 4.098 4.731 . 0 0 "[ . 1 . 2]" 1
422 1 26 LEU H 1 67 THR HA . . 4.260 3.862 3.540 4.121 . 0 0 "[ . 1 . 2]" 1
423 1 26 LEU H 1 69 LEU MD1 . . 3.680 2.760 2.274 3.229 . 0 0 "[ . 1 . 2]" 1
424 1 26 LEU HB2 1 26 LEU QD . . 2.940 2.289 2.174 2.416 . 0 0 "[ . 1 . 2]" 1
425 1 26 LEU HB2 1 28 LEU MD2 . . 4.970 4.661 4.382 4.846 . 0 0 "[ . 1 . 2]" 1
426 1 26 LEU HB2 1 66 LEU HB2 . . 4.270 2.564 2.066 3.123 . 0 0 "[ . 1 . 2]" 1
427 1 26 LEU HB2 1 69 LEU MD1 . . 4.230 2.098 1.839 2.513 . 0 0 "[ . 1 . 2]" 1
428 1 26 LEU HB3 1 27 GLU H . . 4.270 3.475 3.245 3.674 . 0 0 "[ . 1 . 2]" 1
429 1 26 LEU HB3 1 28 LEU MD2 . . 3.270 3.137 2.803 3.273 0.003 6 0 "[ . 1 . 2]" 1
430 1 26 LEU HB3 1 66 LEU H . . 4.980 4.621 4.021 4.991 0.011 17 0 "[ . 1 . 2]" 1
431 1 26 LEU HB3 1 66 LEU HB2 . . 4.210 3.682 3.238 4.200 . 0 0 "[ . 1 . 2]" 1
432 1 26 LEU HB3 1 69 LEU MD1 . . 4.550 3.485 3.165 3.910 . 0 0 "[ . 1 . 2]" 1
433 1 26 LEU QD 1 27 GLU H . . 3.770 3.036 2.774 3.277 . 0 0 "[ . 1 . 2]" 1
434 1 26 LEU QD 1 28 LEU MD2 . . 3.590 3.062 2.611 3.607 0.017 17 0 "[ . 1 . 2]" 1
435 1 26 LEU QD 1 66 LEU HB2 . . 4.460 3.897 3.230 4.381 . 0 0 "[ . 1 . 2]" 1
436 1 26 LEU QD 1 69 LEU MD1 . . 3.060 2.153 1.820 2.479 . 0 0 "[ . 1 . 2]" 1
437 1 26 LEU QD 1 75 TYR QB . . 3.420 2.580 2.128 2.898 . 0 0 "[ . 1 . 2]" 1
438 1 26 LEU QD 1 75 TYR QD . . 3.870 2.774 2.242 3.119 . 0 0 "[ . 1 . 2]" 1
439 1 26 LEU QD 1 96 PHE HB2 . . 3.890 3.635 3.384 3.886 . 0 0 "[ . 1 . 2]" 1
440 1 26 LEU QD 1 96 PHE HB3 . . 3.510 3.083 2.702 3.332 . 0 0 "[ . 1 . 2]" 1
441 1 26 LEU QD 1 96 PHE QD . . 4.480 4.070 3.514 4.315 . 0 0 "[ . 1 . 2]" 1
442 1 26 LEU QD 1 97 ARG H . . 5.440 4.060 3.672 4.432 . 0 0 "[ . 1 . 2]" 1
443 1 26 LEU QD 1 98 THR H . . 4.960 3.721 3.397 3.976 . 0 0 "[ . 1 . 2]" 1
444 1 26 LEU QD 1 98 THR HA . . 3.250 2.627 2.277 2.962 . 0 0 "[ . 1 . 2]" 1
445 1 26 LEU QD 1 98 THR HB . . 4.700 3.631 3.263 3.912 . 0 0 "[ . 1 . 2]" 1
446 1 26 LEU QD 1 98 THR MG . . 2.840 1.771 1.628 1.901 . 0 0 "[ . 1 . 2]" 1
447 1 26 LEU QD 1 99 SER H . . 4.270 3.805 3.380 4.183 . 0 0 "[ . 1 . 2]" 1
448 1 26 LEU MD1 1 28 LEU MD2 . . 4.150 3.775 3.410 4.156 0.006 17 0 "[ . 1 . 2]" 1
449 1 26 LEU MD1 1 69 LEU MD1 . . 3.970 2.170 1.825 2.513 . 0 0 "[ . 1 . 2]" 1
450 1 26 LEU MD1 1 96 PHE HB2 . . 5.250 3.770 3.537 4.207 . 0 0 "[ . 1 . 2]" 1
451 1 26 LEU MD1 1 96 PHE HB3 . . 4.210 3.340 2.912 3.998 . 0 0 "[ . 1 . 2]" 1
452 1 26 LEU MD1 1 98 THR HA . . 4.600 3.308 2.640 3.974 . 0 0 "[ . 1 . 2]" 1
453 1 26 LEU MD1 1 98 THR MG . . 3.300 1.814 1.638 1.950 . 0 0 "[ . 1 . 2]" 1
454 1 26 LEU MD2 1 28 LEU MD2 . . 4.150 3.267 2.671 3.957 . 0 0 "[ . 1 . 2]" 1
455 1 26 LEU MD2 1 69 LEU MD1 . . 3.970 3.669 3.338 3.869 . 0 0 "[ . 1 . 2]" 1
456 1 26 LEU MD2 1 96 PHE HB2 . . 5.250 4.851 4.312 5.260 0.010 13 0 "[ . 1 . 2]" 1
457 1 26 LEU MD2 1 96 PHE HB3 . . 4.210 3.728 3.201 4.120 . 0 0 "[ . 1 . 2]" 1
458 1 26 LEU MD2 1 98 THR HA . . 4.600 2.805 2.418 3.233 . 0 0 "[ . 1 . 2]" 1
459 1 26 LEU MD2 1 98 THR MG . . 3.300 2.642 1.961 2.979 . 0 0 "[ . 1 . 2]" 1
460 1 26 LEU HG 1 69 LEU MD1 . . 3.310 2.425 1.962 2.810 . 0 0 "[ . 1 . 2]" 1
461 1 26 LEU HG 1 98 THR HA . . 4.630 3.957 3.385 4.460 . 0 0 "[ . 1 . 2]" 1
462 1 26 LEU HG 1 98 THR MG . . 3.150 2.180 1.952 2.651 . 0 0 "[ . 1 . 2]" 1
463 1 27 GLU H 1 27 GLU HB2 . . 3.460 2.900 2.692 3.185 . 0 0 "[ . 1 . 2]" 1
464 1 27 GLU H 1 27 GLU HB3 . . 3.800 2.672 2.481 2.821 . 0 0 "[ . 1 . 2]" 1
465 1 27 GLU H 1 27 GLU QG . . 4.510 4.066 3.964 4.186 . 0 0 "[ . 1 . 2]" 1
466 1 27 GLU H 1 28 LEU MD2 . . 4.910 3.790 3.464 4.064 . 0 0 "[ . 1 . 2]" 1
467 1 27 GLU H 1 65 LEU QD . . 4.320 3.933 3.729 4.154 . 0 0 "[ . 1 . 2]" 1
468 1 27 GLU HA 1 27 GLU HG2 . . 4.060 3.023 2.363 3.259 . 0 0 "[ . 1 . 2]" 1
469 1 27 GLU HA 1 27 GLU QG . . 3.430 2.392 2.254 2.636 . 0 0 "[ . 1 . 2]" 1
470 1 27 GLU HA 1 27 GLU HG3 . . 4.060 2.573 2.306 3.621 . 0 0 "[ . 1 . 2]" 1
471 1 27 GLU HA 1 28 LEU H . . 2.990 2.215 2.141 2.351 . 0 0 "[ . 1 . 2]" 1
472 1 27 GLU HA 1 64 VAL H . . 5.110 4.685 4.368 5.100 . 0 0 "[ . 1 . 2]" 1
473 1 27 GLU HA 1 64 VAL MG1 . . 4.440 3.885 3.500 4.330 . 0 0 "[ . 1 . 2]" 1
474 1 27 GLU HA 1 65 LEU HA . . 3.500 2.808 2.641 3.074 . 0 0 "[ . 1 . 2]" 1
475 1 27 GLU HA 1 65 LEU QD . . 3.480 2.765 2.386 3.150 . 0 0 "[ . 1 . 2]" 1
476 1 27 GLU HA 1 66 LEU H . . 4.010 3.364 2.878 3.997 . 0 0 "[ . 1 . 2]" 1
477 1 27 GLU HB2 1 28 LEU H . . 4.730 4.150 3.783 4.487 . 0 0 "[ . 1 . 2]" 1
478 1 27 GLU HB2 1 65 LEU QD . . 2.970 2.171 1.805 2.601 . 0 0 "[ . 1 . 2]" 1
479 1 27 GLU QG 1 28 LEU H . . 3.740 2.522 1.988 3.107 . 0 0 "[ . 1 . 2]" 1
480 1 27 GLU QG 1 65 LEU HB2 . . 5.340 3.781 3.235 4.396 . 0 0 "[ . 1 . 2]" 1
481 1 27 GLU QG 1 65 LEU QD . . 3.310 2.179 1.894 2.619 . 0 0 "[ . 1 . 2]" 1
482 1 27 GLU HG2 1 28 LEU H . . 4.510 2.760 2.130 3.360 . 0 0 "[ . 1 . 2]" 1
483 1 27 GLU HG2 1 64 VAL H . . 5.500 4.535 4.055 4.948 . 0 0 "[ . 1 . 2]" 1
484 1 27 GLU HG2 1 65 LEU HA . . 4.890 4.689 3.000 4.892 0.002 10 0 "[ . 1 . 2]" 1
485 1 27 GLU HG3 1 28 LEU H . . 4.510 3.012 2.198 4.405 . 0 0 "[ . 1 . 2]" 1
486 1 27 GLU HG3 1 64 VAL H . . 5.500 4.336 3.487 5.503 0.003 15 0 "[ . 1 . 2]" 1
487 1 27 GLU HG3 1 65 LEU HA . . 4.890 3.355 2.933 4.548 . 0 0 "[ . 1 . 2]" 1
488 1 28 LEU H 1 28 LEU HB2 . . 3.550 2.921 2.745 3.107 . 0 0 "[ . 1 . 2]" 1
489 1 28 LEU H 1 28 LEU MD1 . . 4.520 3.949 3.661 4.089 . 0 0 "[ . 1 . 2]" 1
490 1 28 LEU H 1 28 LEU MD2 . . 4.600 3.678 3.526 3.858 . 0 0 "[ . 1 . 2]" 1
491 1 28 LEU H 1 28 LEU HG . . 3.630 2.703 2.444 2.865 . 0 0 "[ . 1 . 2]" 1
492 1 28 LEU H 1 64 VAL H . . 3.780 3.105 2.819 3.384 . 0 0 "[ . 1 . 2]" 1
493 1 28 LEU H 1 64 VAL MG1 . . 3.780 2.896 2.563 3.277 . 0 0 "[ . 1 . 2]" 1
494 1 28 LEU H 1 65 LEU HA . . 4.100 4.057 3.902 4.109 0.009 15 0 "[ . 1 . 2]" 1
495 1 28 LEU H 1 65 LEU QD . . 4.380 4.098 3.876 4.318 . 0 0 "[ . 1 . 2]" 1
496 1 28 LEU H 1 66 LEU H . . 5.120 4.895 4.707 5.069 . 0 0 "[ . 1 . 2]" 1
497 1 28 LEU HA 1 28 LEU MD1 . . 4.480 3.980 3.918 4.037 . 0 0 "[ . 1 . 2]" 1
498 1 28 LEU HA 1 28 LEU MD2 . . 3.250 2.212 2.019 2.440 . 0 0 "[ . 1 . 2]" 1
499 1 28 LEU HA 1 29 THR H . . 2.990 2.341 2.175 2.486 . 0 0 "[ . 1 . 2]" 1
500 1 28 LEU HA 1 29 THR MG . . 4.320 3.536 3.313 3.853 . 0 0 "[ . 1 . 2]" 1
501 1 28 LEU HB2 1 28 LEU MD1 . . 3.360 2.188 2.067 2.364 . 0 0 "[ . 1 . 2]" 1
502 1 28 LEU HB2 1 28 LEU MD2 . . 3.590 3.176 3.157 3.189 . 0 0 "[ . 1 . 2]" 1
503 1 28 LEU HB2 1 29 THR H . . 4.350 3.467 3.163 3.945 . 0 0 "[ . 1 . 2]" 1
504 1 28 LEU HB2 1 30 TRP HZ3 . . 4.070 2.477 2.033 2.855 . 0 0 "[ . 1 . 2]" 1
505 1 28 LEU HB2 1 64 VAL H . . 4.520 3.735 3.328 4.430 . 0 0 "[ . 1 . 2]" 1
506 1 28 LEU HB2 1 64 VAL MG1 . . 3.210 2.534 2.314 2.728 . 0 0 "[ . 1 . 2]" 1
507 1 28 LEU HB3 1 28 LEU MD1 . . 3.320 2.499 2.332 2.627 . 0 0 "[ . 1 . 2]" 1
508 1 28 LEU HB3 1 28 LEU MD2 . . 3.270 2.320 2.219 2.414 . 0 0 "[ . 1 . 2]" 1
509 1 28 LEU HB3 1 29 THR H . . 3.600 2.672 2.369 3.137 . 0 0 "[ . 1 . 2]" 1
510 1 28 LEU HB3 1 30 TRP HE3 . . 4.530 3.598 3.085 4.004 . 0 0 "[ . 1 . 2]" 1
511 1 28 LEU HB3 1 30 TRP HZ3 . . 4.390 3.769 3.170 4.262 . 0 0 "[ . 1 . 2]" 1
512 1 28 LEU HB3 1 64 VAL MG1 . . 4.190 3.997 3.779 4.168 . 0 0 "[ . 1 . 2]" 1
513 1 28 LEU MD1 1 30 TRP HZ3 . . 4.370 3.042 2.619 3.559 . 0 0 "[ . 1 . 2]" 1
514 1 28 LEU MD1 1 64 VAL MG1 . . 3.380 2.582 2.327 2.959 . 0 0 "[ . 1 . 2]" 1
515 1 28 LEU MD1 1 77 VAL HB . . 4.270 2.651 2.426 3.042 . 0 0 "[ . 1 . 2]" 1
516 1 28 LEU MD1 1 77 VAL MG1 . . 3.040 1.963 1.822 2.209 . 0 0 "[ . 1 . 2]" 1
517 1 28 LEU MD1 1 77 VAL MG2 . . 3.050 2.152 1.913 2.519 . 0 0 "[ . 1 . 2]" 1
518 1 28 LEU MD1 1 96 PHE QD . . 4.290 3.644 3.052 4.045 . 0 0 "[ . 1 . 2]" 1
519 1 28 LEU MD1 1 96 PHE QE . . 4.090 3.144 2.725 3.680 . 0 0 "[ . 1 . 2]" 1
520 1 28 LEU MD2 1 29 THR H . . 3.980 3.819 3.628 3.986 0.006 9 0 "[ . 1 . 2]" 1
521 1 28 LEU MD2 1 64 VAL MG1 . . 4.570 4.222 4.002 4.432 . 0 0 "[ . 1 . 2]" 1
522 1 28 LEU MD2 1 66 LEU QD . . 4.540 3.994 3.637 4.391 . 0 0 "[ . 1 . 2]" 1
523 1 28 LEU MD2 1 77 VAL MG1 . . 4.220 4.060 3.763 4.224 0.004 9 0 "[ . 1 . 2]" 1
524 1 28 LEU MD2 1 77 VAL MG2 . . 4.460 3.615 3.340 3.824 . 0 0 "[ . 1 . 2]" 1
525 1 28 LEU MD2 1 96 PHE HB2 . . 4.830 4.724 4.355 4.849 0.019 19 0 "[ . 1 . 2]" 1
526 1 28 LEU MD2 1 96 PHE HB3 . . 4.810 4.280 3.919 4.601 . 0 0 "[ . 1 . 2]" 1
527 1 28 LEU MD2 1 96 PHE QD . . 3.990 3.638 3.085 3.851 . 0 0 "[ . 1 . 2]" 1
528 1 28 LEU MD2 1 96 PHE QE . . 3.850 3.307 2.637 3.624 . 0 0 "[ . 1 . 2]" 1
529 1 28 LEU MD2 1 96 PHE HZ . . 4.260 3.681 3.196 4.090 . 0 0 "[ . 1 . 2]" 1
530 1 28 LEU HG 1 64 VAL MG1 . . 3.530 3.137 2.801 3.456 . 0 0 "[ . 1 . 2]" 1
531 1 29 THR H 1 29 THR HB . . 4.210 3.373 3.178 3.495 . 0 0 "[ . 1 . 2]" 1
532 1 29 THR H 1 29 THR MG . . 3.420 2.282 2.056 2.436 . 0 0 "[ . 1 . 2]" 1
533 1 29 THR H 1 30 TRP H . . 4.790 4.182 3.992 4.284 . 0 0 "[ . 1 . 2]" 1
534 1 29 THR H 1 30 TRP HE3 . . 4.650 3.849 3.510 4.118 . 0 0 "[ . 1 . 2]" 1
535 1 29 THR HA 1 29 THR MG . . 3.740 3.198 3.183 3.206 . 0 0 "[ . 1 . 2]" 1
536 1 29 THR HA 1 30 TRP H . . 3.210 2.160 2.141 2.195 . 0 0 "[ . 1 . 2]" 1
537 1 29 THR HA 1 30 TRP HE3 . . 4.440 3.583 3.163 3.942 . 0 0 "[ . 1 . 2]" 1
538 1 29 THR HA 1 63 ARG H . . 5.200 4.923 4.586 5.179 . 0 0 "[ . 1 . 2]" 1
539 1 29 THR HA 1 63 ARG HA . . 3.350 2.550 2.206 2.777 . 0 0 "[ . 1 . 2]" 1
540 1 29 THR HA 1 63 ARG HB2 . . 4.490 3.873 3.335 4.400 . 0 0 "[ . 1 . 2]" 1
541 1 29 THR HA 1 63 ARG HB3 . . 4.490 3.404 2.727 4.102 . 0 0 "[ . 1 . 2]" 1
542 1 29 THR HB 1 30 TRP H . . 4.440 4.185 4.036 4.386 . 0 0 "[ . 1 . 2]" 1
543 1 29 THR HB 1 63 ARG QB . . 4.420 3.190 2.732 3.553 . 0 0 "[ . 1 . 2]" 1
544 1 29 THR MG 1 30 TRP H . . 4.280 3.994 3.769 4.175 . 0 0 "[ . 1 . 2]" 1
545 1 29 THR MG 1 30 TRP HA . . 4.590 3.981 3.734 4.230 . 0 0 "[ . 1 . 2]" 1
546 1 29 THR MG 1 31 ALA H . . 4.730 4.392 3.995 4.713 . 0 0 "[ . 1 . 2]" 1
547 1 30 TRP H 1 30 TRP HE3 . . 4.180 3.221 3.046 3.423 . 0 0 "[ . 1 . 2]" 1
548 1 30 TRP H 1 31 ALA H . . 4.150 4.104 4.020 4.163 0.013 4 0 "[ . 1 . 2]" 1
549 1 30 TRP H 1 31 ALA MB . . 4.640 4.302 3.985 4.563 . 0 0 "[ . 1 . 2]" 1
550 1 30 TRP H 1 62 PRO HB2 . . 3.930 3.025 2.579 3.460 . 0 0 "[ . 1 . 2]" 1
551 1 30 TRP H 1 63 ARG HA . . 4.350 3.660 3.175 3.998 . 0 0 "[ . 1 . 2]" 1
552 1 30 TRP HA 1 30 TRP HE3 . . 4.960 4.161 4.015 4.316 . 0 0 "[ . 1 . 2]" 1
553 1 30 TRP HA 1 31 ALA MB . . 4.550 4.062 4.010 4.122 . 0 0 "[ . 1 . 2]" 1
554 1 30 TRP QB 1 31 ALA H . . 4.010 3.512 3.423 3.576 . 0 0 "[ . 1 . 2]" 1
555 1 30 TRP HD1 1 31 ALA HA . . 4.880 4.137 3.858 4.376 . 0 0 "[ . 1 . 2]" 1
556 1 30 TRP HD1 1 31 ALA MB . . 5.440 5.071 4.571 5.416 . 0 0 "[ . 1 . 2]" 1
557 1 30 TRP HD1 1 62 PRO HA . . 4.790 3.584 3.295 3.898 . 0 0 "[ . 1 . 2]" 1
558 1 30 TRP HD1 1 62 PRO HB2 . . 4.390 3.883 3.539 4.357 . 0 0 "[ . 1 . 2]" 1
559 1 30 TRP HE1 1 44 TYR HB3 . . 4.580 3.144 2.664 3.767 . 0 0 "[ . 1 . 2]" 1
560 1 30 TRP HE1 1 44 TYR QD . . 3.710 3.238 2.996 3.611 . 0 0 "[ . 1 . 2]" 1
561 1 30 TRP HE1 1 44 TYR QE . . 4.200 3.910 3.645 4.059 . 0 0 "[ . 1 . 2]" 1
562 1 30 TRP HE1 1 59 VAL MG2 . . 4.820 4.137 3.912 4.399 . 0 0 "[ . 1 . 2]" 1
563 1 30 TRP HE1 1 62 PRO HA . . 3.680 2.091 1.897 2.402 . 0 0 "[ . 1 . 2]" 1
564 1 30 TRP HE1 1 62 PRO HB2 . . 5.110 4.155 3.689 4.596 . 0 0 "[ . 1 . 2]" 1
565 1 30 TRP HE1 1 62 PRO HB3 . . 4.280 3.466 2.723 3.810 . 0 0 "[ . 1 . 2]" 1
566 1 30 TRP HE1 1 79 VAL MG1 . . 4.720 3.550 3.098 3.920 . 0 0 "[ . 1 . 2]" 1
567 1 30 TRP HE1 1 79 VAL MG2 . . 4.670 2.743 2.391 3.074 . 0 0 "[ . 1 . 2]" 1
568 1 30 TRP HE3 1 63 ARG HA . . 4.800 4.464 3.935 4.803 0.003 17 0 "[ . 1 . 2]" 1
569 1 30 TRP HE3 1 64 VAL MG1 . . 4.430 4.036 3.874 4.184 . 0 0 "[ . 1 . 2]" 1
570 1 30 TRP HE3 1 79 VAL HB . . 5.180 4.199 3.765 4.760 . 0 0 "[ . 1 . 2]" 1
571 1 30 TRP HH2 1 44 TYR HB3 . . 5.500 5.463 5.328 5.524 0.024 13 0 "[ . 1 . 2]" 1
572 1 30 TRP HH2 1 46 LEU MD1 . . 4.330 4.324 4.210 4.400 0.070 13 0 "[ . 1 . 2]" 1
573 1 30 TRP HH2 1 46 LEU MD2 . . 3.590 2.203 1.963 2.547 . 0 0 "[ . 1 . 2]" 1
574 1 30 TRP HH2 1 59 VAL MG1 . . 4.090 3.779 3.566 4.048 . 0 0 "[ . 1 . 2]" 1
575 1 30 TRP HH2 1 59 VAL MG2 . . 3.470 2.659 2.379 2.878 . 0 0 "[ . 1 . 2]" 1
576 1 30 TRP HH2 1 63 ARG H . . 5.340 5.011 4.774 5.189 . 0 0 "[ . 1 . 2]" 1
577 1 30 TRP HH2 1 64 VAL HB . . 3.470 2.154 1.999 2.507 . 0 0 "[ . 1 . 2]" 1
578 1 30 TRP HH2 1 64 VAL MG1 . . 3.470 2.317 1.971 2.616 . 0 0 "[ . 1 . 2]" 1
579 1 30 TRP HH2 1 64 VAL MG2 . . 4.140 3.646 3.493 3.923 . 0 0 "[ . 1 . 2]" 1
580 1 30 TRP HH2 1 79 VAL MG2 . . 4.920 3.084 2.597 3.419 . 0 0 "[ . 1 . 2]" 1
581 1 30 TRP HZ2 1 44 TYR HB2 . . 3.680 3.015 2.829 3.309 . 0 0 "[ . 1 . 2]" 1
582 1 30 TRP HZ2 1 44 TYR HB3 . . 3.870 3.395 3.132 3.558 . 0 0 "[ . 1 . 2]" 1
583 1 30 TRP HZ2 1 44 TYR QD . . 4.020 3.857 3.532 4.022 0.002 17 0 "[ . 1 . 2]" 1
584 1 30 TRP HZ2 1 46 LEU MD2 . . 4.520 3.397 3.024 3.680 . 0 0 "[ . 1 . 2]" 1
585 1 30 TRP HZ2 1 46 LEU HG . . 5.000 4.896 4.738 4.985 . 0 0 "[ . 1 . 2]" 1
586 1 30 TRP HZ2 1 59 VAL HB . . 4.620 4.412 4.201 4.623 0.003 17 0 "[ . 1 . 2]" 1
587 1 30 TRP HZ2 1 59 VAL MG2 . . 3.190 2.150 1.984 2.361 . 0 0 "[ . 1 . 2]" 1
588 1 30 TRP HZ2 1 61 GLU H . . 5.500 5.238 4.486 5.511 0.011 18 0 "[ . 1 . 2]" 1
589 1 30 TRP HZ2 1 62 PRO HA . . 3.540 3.120 2.490 3.537 . 0 0 "[ . 1 . 2]" 1
590 1 30 TRP HZ2 1 63 ARG H . . 4.590 4.361 4.097 4.593 0.003 5 0 "[ . 1 . 2]" 1
591 1 30 TRP HZ2 1 64 VAL HB . . 4.710 4.089 3.895 4.374 . 0 0 "[ . 1 . 2]" 1
592 1 30 TRP HZ2 1 64 VAL MG1 . . 4.680 4.426 4.177 4.684 0.004 9 0 "[ . 1 . 2]" 1
593 1 30 TRP HZ2 1 79 VAL MG1 . . 4.700 4.069 3.711 4.385 . 0 0 "[ . 1 . 2]" 1
594 1 30 TRP HZ2 1 79 VAL MG2 . . 4.110 2.396 2.091 2.590 . 0 0 "[ . 1 . 2]" 1
595 1 30 TRP HZ3 1 46 LEU MD1 . . 4.640 4.534 4.330 4.646 0.006 13 0 "[ . 1 . 2]" 1
596 1 30 TRP HZ3 1 46 LEU MD2 . . 4.320 2.647 2.329 2.959 . 0 0 "[ . 1 . 2]" 1
597 1 30 TRP HZ3 1 63 ARG HA . . 4.550 4.005 3.547 4.293 . 0 0 "[ . 1 . 2]" 1
598 1 30 TRP HZ3 1 64 VAL H . . 4.420 3.627 3.207 4.197 . 0 0 "[ . 1 . 2]" 1
599 1 30 TRP HZ3 1 64 VAL HB . . 4.490 3.658 3.241 4.055 . 0 0 "[ . 1 . 2]" 1
600 1 30 TRP HZ3 1 64 VAL MG1 . . 3.180 1.962 1.897 2.060 . 0 0 "[ . 1 . 2]" 1
601 1 30 TRP HZ3 1 64 VAL MG2 . . 4.820 4.496 4.286 4.768 . 0 0 "[ . 1 . 2]" 1
602 1 31 ALA HA 1 62 PRO HB2 . . 4.430 4.147 3.649 4.421 . 0 0 "[ . 1 . 2]" 1
603 1 31 ALA HA 1 62 PRO HB3 . . 4.920 4.297 3.714 4.573 . 0 0 "[ . 1 . 2]" 1
604 1 31 ALA HA 1 62 PRO QG . . 5.070 4.811 4.170 5.081 0.011 19 0 "[ . 1 . 2]" 1
605 1 33 SER QB 1 34 ARG H . . 4.230 3.339 2.205 4.040 . 0 0 "[ . 1 . 2]" 1
606 1 34 ARG H 1 34 ARG QG . . 4.850 3.209 1.890 4.263 . 0 0 "[ . 1 . 2]" 1
607 1 34 ARG QB 1 35 PRO QD . . 3.410 2.511 1.742 3.375 . 0 0 "[ . 1 . 2]" 1
608 1 34 ARG HB2 1 35 PRO HD2 . . 5.070 3.078 2.248 4.299 . 0 0 "[ . 1 . 2]" 1
609 1 34 ARG HB2 1 35 PRO HD3 . . 5.070 3.865 1.952 5.042 . 0 0 "[ . 1 . 2]" 1
610 1 34 ARG HB3 1 35 PRO HD2 . . 5.070 3.442 2.156 4.156 . 0 0 "[ . 1 . 2]" 1
611 1 34 ARG HB3 1 35 PRO HD3 . . 5.070 4.067 2.160 4.992 . 0 0 "[ . 1 . 2]" 1
612 1 36 ARG H 1 36 ARG HG2 . . 5.430 3.923 2.281 4.928 . 0 0 "[ . 1 . 2]" 1
613 1 36 ARG H 1 36 ARG QG . . 4.670 3.323 1.882 4.369 . 0 0 "[ . 1 . 2]" 1
614 1 36 ARG H 1 36 ARG HG3 . . 5.430 3.841 1.895 5.259 . 0 0 "[ . 1 . 2]" 1
615 1 36 ARG HA 1 36 ARG QD . . 4.340 3.572 1.989 4.324 . 0 0 "[ . 1 . 2]" 1
616 1 36 ARG HB2 1 36 ARG QD . . 3.540 2.727 2.110 3.496 . 0 0 "[ . 1 . 2]" 1
617 1 36 ARG HB3 1 36 ARG QD . . 3.540 2.661 2.109 3.461 . 0 0 "[ . 1 . 2]" 1
618 1 37 ASN HA 1 38 PRO HD2 . . 3.270 2.154 1.916 2.368 . 0 0 "[ . 1 . 2]" 1
619 1 37 ASN HA 1 38 PRO HD3 . . 3.270 2.299 2.253 2.601 . 0 0 "[ . 1 . 2]" 1
620 1 37 ASN QB 1 38 PRO QD . . 3.600 2.839 2.078 3.561 . 0 0 "[ . 1 . 2]" 1
621 1 40 GLY QA 1 41 ASN QB . . 4.530 4.117 3.694 4.460 . 0 0 "[ . 1 . 2]" 1
622 1 41 ASN H 1 41 ASN QB . . 3.690 2.560 2.204 3.302 . 0 0 "[ . 1 . 2]" 1
623 1 41 ASN HA 1 42 LEU H . . 3.030 2.362 2.143 3.008 . 0 0 "[ . 1 . 2]" 1
624 1 41 ASN QB 1 42 LEU H . . 3.970 3.550 2.456 4.016 0.046 11 0 "[ . 1 . 2]" 1
625 1 41 ASN HB2 1 42 LEU H . . 4.530 4.130 2.488 4.534 0.004 2 0 "[ . 1 . 2]" 1
626 1 41 ASN HB3 1 42 LEU H . . 4.530 4.018 2.772 4.500 . 0 0 "[ . 1 . 2]" 1
627 1 42 LEU H 1 42 LEU QB . . 3.380 2.404 2.159 2.669 . 0 0 "[ . 1 . 2]" 1
628 1 42 LEU H 1 42 LEU MD1 . . 4.610 3.794 2.466 4.394 . 0 0 "[ . 1 . 2]" 1
629 1 42 LEU H 1 42 LEU MD2 . . 5.180 4.303 3.975 4.501 . 0 0 "[ . 1 . 2]" 1
630 1 42 LEU H 1 42 LEU HG . . 4.120 3.437 2.796 3.887 . 0 0 "[ . 1 . 2]" 1
631 1 42 LEU HA 1 42 LEU MD1 . . 3.980 3.803 3.371 3.865 . 0 0 "[ . 1 . 2]" 1
632 1 42 LEU HA 1 42 LEU MD2 . . 3.440 2.399 2.004 3.482 0.042 9 0 "[ . 1 . 2]" 1
633 1 42 LEU HA 1 42 LEU HG . . 3.890 2.616 2.430 2.751 . 0 0 "[ . 1 . 2]" 1
634 1 42 LEU HA 1 43 SER H . . 2.880 2.419 2.265 2.588 . 0 0 "[ . 1 . 2]" 1
635 1 42 LEU HA 1 43 SER QB . . 5.340 4.404 4.269 4.685 . 0 0 "[ . 1 . 2]" 1
636 1 42 LEU QB 1 43 SER H . . 3.540 2.410 2.014 2.799 . 0 0 "[ . 1 . 2]" 1
637 1 42 LEU QB 1 44 TYR QE . . 4.700 3.841 3.174 4.242 . 0 0 "[ . 1 . 2]" 1
638 1 42 LEU QB 1 81 THR MG . . 3.230 2.778 2.289 3.207 . 0 0 "[ . 1 . 2]" 1
639 1 42 LEU QB 1 82 LEU H . . 5.120 4.603 3.755 5.119 . 0 0 "[ . 1 . 2]" 1
640 1 42 LEU HB2 1 43 SER H . . 4.120 3.805 3.297 4.101 . 0 0 "[ . 1 . 2]" 1
641 1 42 LEU HB3 1 43 SER H . . 4.120 2.439 2.032 2.849 . 0 0 "[ . 1 . 2]" 1
642 1 42 LEU MD1 1 43 SER H . . 4.970 4.476 4.145 4.788 . 0 0 "[ . 1 . 2]" 1
643 1 42 LEU MD1 1 44 TYR QE . . 4.690 4.325 4.046 4.657 . 0 0 "[ . 1 . 2]" 1
644 1 42 LEU MD1 1 81 THR MG . . 3.000 2.622 2.072 3.001 0.001 9 0 "[ . 1 . 2]" 1
645 1 42 LEU MD2 1 43 SER H . . 3.930 2.764 2.462 3.586 . 0 0 "[ . 1 . 2]" 1
646 1 42 LEU MD2 1 44 TYR QD . . 5.500 5.447 5.263 5.501 0.001 9 0 "[ . 1 . 2]" 1
647 1 42 LEU MD2 1 44 TYR QE . . 5.340 4.973 4.704 5.135 . 0 0 "[ . 1 . 2]" 1
648 1 42 LEU MD2 1 81 THR MG . . 3.400 2.459 2.001 2.868 . 0 0 "[ . 1 . 2]" 1
649 1 42 LEU MD2 1 83 THR HA . . 4.410 2.817 2.480 3.287 . 0 0 "[ . 1 . 2]" 1
650 1 42 LEU MD2 1 83 THR MG . . 3.830 3.045 2.217 3.556 . 0 0 "[ . 1 . 2]" 1
651 1 42 LEU MD2 1 84 PRO QD . . 3.710 2.970 2.555 3.408 . 0 0 "[ . 1 . 2]" 1
652 1 42 LEU MD2 1 84 PRO QG . . 4.740 4.372 3.968 4.740 0.000 4 0 "[ . 1 . 2]" 1
653 1 43 SER H 1 44 TYR H . . 4.730 4.434 4.387 4.514 . 0 0 "[ . 1 . 2]" 1
654 1 43 SER H 1 81 THR MG . . 4.300 3.768 3.320 4.141 . 0 0 "[ . 1 . 2]" 1
655 1 43 SER H 1 82 LEU H . . 4.200 3.918 3.525 4.203 0.003 3 0 "[ . 1 . 2]" 1
656 1 43 SER H 1 82 LEU QB . . 4.590 3.330 2.628 3.698 . 0 0 "[ . 1 . 2]" 1
657 1 43 SER H 1 82 LEU QD . . 5.310 4.515 3.962 4.897 . 0 0 "[ . 1 . 2]" 1
658 1 43 SER HA 1 44 TYR H . . 3.270 2.559 2.498 2.640 . 0 0 "[ . 1 . 2]" 1
659 1 43 SER HA 1 60 LEU MD2 . . 4.030 3.216 2.726 3.602 . 0 0 "[ . 1 . 2]" 1
660 1 43 SER QB 1 58 MET ME . . 4.030 2.430 1.754 3.612 . 0 0 "[ . 1 . 2]" 1
661 1 43 SER QB 1 60 LEU HA . . 3.980 3.318 3.054 3.647 . 0 0 "[ . 1 . 2]" 1
662 1 43 SER QB 1 60 LEU MD1 . . 5.340 5.047 4.378 5.337 . 0 0 "[ . 1 . 2]" 1
663 1 43 SER QB 1 60 LEU MD2 . . 3.220 2.591 1.926 2.942 . 0 0 "[ . 1 . 2]" 1
664 1 43 SER QB 1 82 LEU H . . 4.870 4.227 3.428 4.780 . 0 0 "[ . 1 . 2]" 1
665 1 43 SER QB 1 82 LEU QB . . 4.020 2.850 2.128 3.589 . 0 0 "[ . 1 . 2]" 1
666 1 43 SER QB 1 82 LEU QD . . 3.370 2.982 2.356 3.357 . 0 0 "[ . 1 . 2]" 1
667 1 43 SER HB2 1 44 TYR H . . 3.470 2.875 1.953 3.435 . 0 0 "[ . 1 . 2]" 1
668 1 43 SER HB2 1 58 MET ME . . 4.810 3.005 1.835 4.593 . 0 0 "[ . 1 . 2]" 1
669 1 43 SER HB2 1 60 LEU MD2 . . 4.080 3.623 2.793 4.084 0.004 10 0 "[ . 1 . 2]" 1
670 1 43 SER HB3 1 44 TYR H . . 3.470 2.601 2.058 3.464 . 0 0 "[ . 1 . 2]" 1
671 1 43 SER HB3 1 58 MET ME . . 4.810 2.669 1.837 3.778 . 0 0 "[ . 1 . 2]" 1
672 1 43 SER HB3 1 60 LEU MD2 . . 4.080 2.663 1.961 3.018 . 0 0 "[ . 1 . 2]" 1
673 1 44 TYR H 1 44 TYR HB2 . . 3.750 2.912 2.788 3.088 . 0 0 "[ . 1 . 2]" 1
674 1 44 TYR H 1 44 TYR HB3 . . 4.110 3.913 3.851 4.002 . 0 0 "[ . 1 . 2]" 1
675 1 44 TYR H 1 44 TYR QD . . 3.640 3.315 2.826 3.637 . 0 0 "[ . 1 . 2]" 1
676 1 44 TYR H 1 58 MET HA . . 5.500 5.195 4.905 5.398 . 0 0 "[ . 1 . 2]" 1
677 1 44 TYR H 1 59 VAL H . . 4.020 3.893 3.702 4.023 0.003 13 0 "[ . 1 . 2]" 1
678 1 44 TYR H 1 59 VAL MG2 . . 3.980 3.706 3.545 3.987 0.007 9 0 "[ . 1 . 2]" 1
679 1 44 TYR H 1 60 LEU MD2 . . 4.130 3.778 3.366 4.032 . 0 0 "[ . 1 . 2]" 1
680 1 44 TYR H 1 82 LEU QD . . 4.670 3.805 2.945 4.227 . 0 0 "[ . 1 . 2]" 1
681 1 44 TYR HA 1 44 TYR QD . . 3.760 2.680 2.326 3.090 . 0 0 "[ . 1 . 2]" 1
682 1 44 TYR HA 1 44 TYR QE . . 4.920 4.673 4.481 4.856 . 0 0 "[ . 1 . 2]" 1
683 1 44 TYR HA 1 45 GLU H . . 3.210 2.180 2.154 2.208 . 0 0 "[ . 1 . 2]" 1
684 1 44 TYR HA 1 45 GLU QB . . 4.760 4.023 3.974 4.052 . 0 0 "[ . 1 . 2]" 1
685 1 44 TYR HA 1 59 VAL MG2 . . 4.820 4.477 4.303 4.651 . 0 0 "[ . 1 . 2]" 1
686 1 44 TYR HA 1 79 VAL MG2 . . 4.850 3.784 3.522 4.095 . 0 0 "[ . 1 . 2]" 1
687 1 44 TYR HA 1 81 THR HA . . 3.620 2.702 2.472 3.112 . 0 0 "[ . 1 . 2]" 1
688 1 44 TYR HA 1 81 THR MG . . 4.430 4.151 3.918 4.438 0.008 16 0 "[ . 1 . 2]" 1
689 1 44 TYR HA 1 82 LEU H . . 3.830 2.608 1.995 3.242 . 0 0 "[ . 1 . 2]" 1
690 1 44 TYR HA 1 82 LEU QD . . 4.560 3.319 2.159 4.188 . 0 0 "[ . 1 . 2]" 1
691 1 44 TYR HA 1 82 LEU HG . . 5.440 4.478 3.619 5.462 0.022 19 0 "[ . 1 . 2]" 1
692 1 44 TYR HB2 1 45 GLU H . . 4.440 3.985 3.857 4.095 . 0 0 "[ . 1 . 2]" 1
693 1 44 TYR HB2 1 46 LEU MD2 . . 5.160 4.836 4.671 5.026 . 0 0 "[ . 1 . 2]" 1
694 1 44 TYR HB2 1 59 VAL H . . 4.590 3.797 3.640 3.994 . 0 0 "[ . 1 . 2]" 1
695 1 44 TYR HB2 1 59 VAL HB . . 4.810 4.597 4.373 4.809 . 0 0 "[ . 1 . 2]" 1
696 1 44 TYR HB2 1 59 VAL MG1 . . 5.140 4.853 4.681 4.977 . 0 0 "[ . 1 . 2]" 1
697 1 44 TYR HB2 1 59 VAL MG2 . . 3.210 2.240 1.976 2.412 . 0 0 "[ . 1 . 2]" 1
698 1 44 TYR HB2 1 79 VAL MG1 . . 5.240 5.203 4.970 5.258 0.018 13 0 "[ . 1 . 2]" 1
699 1 44 TYR HB2 1 79 VAL MG2 . . 4.420 3.140 3.004 3.286 . 0 0 "[ . 1 . 2]" 1
700 1 44 TYR HB3 1 45 GLU H . . 3.910 3.134 3.017 3.292 . 0 0 "[ . 1 . 2]" 1
701 1 44 TYR HB3 1 46 LEU MD2 . . 4.760 4.543 4.353 4.704 . 0 0 "[ . 1 . 2]" 1
702 1 44 TYR HB3 1 59 VAL MG2 . . 4.100 3.385 3.157 3.609 . 0 0 "[ . 1 . 2]" 1
703 1 44 TYR HB3 1 79 VAL MG1 . . 4.200 4.060 3.841 4.213 0.013 19 0 "[ . 1 . 2]" 1
704 1 44 TYR HB3 1 79 VAL MG2 . . 3.730 2.220 2.103 2.431 . 0 0 "[ . 1 . 2]" 1
705 1 44 TYR QD 1 45 GLU H . . 4.410 4.195 3.931 4.416 0.006 19 0 "[ . 1 . 2]" 1
706 1 44 TYR QD 1 59 VAL MG2 . . 3.360 3.174 2.951 3.301 . 0 0 "[ . 1 . 2]" 1
707 1 44 TYR QD 1 61 GLU H . . 4.330 3.678 2.641 4.099 . 0 0 "[ . 1 . 2]" 1
708 1 44 TYR QD 1 62 PRO HA . . 4.480 3.526 3.073 3.901 . 0 0 "[ . 1 . 2]" 1
709 1 44 TYR QD 1 62 PRO HB3 . . 4.810 4.646 4.306 4.818 0.008 16 0 "[ . 1 . 2]" 1
710 1 44 TYR QD 1 79 VAL MG1 . . 4.680 4.579 4.358 4.682 0.002 11 0 "[ . 1 . 2]" 1
711 1 44 TYR QD 1 79 VAL MG2 . . 3.920 3.548 3.431 3.697 . 0 0 "[ . 1 . 2]" 1
712 1 44 TYR QD 1 81 THR HA . . 3.540 2.011 1.990 2.068 . 0 0 "[ . 1 . 2]" 1
713 1 44 TYR QD 1 81 THR MG . . 3.600 3.111 2.637 3.500 . 0 0 "[ . 1 . 2]" 1
714 1 44 TYR QD 1 82 LEU H . . 4.630 3.645 3.225 3.808 . 0 0 "[ . 1 . 2]" 1
715 1 44 TYR QD 1 82 LEU QD . . 5.440 4.962 4.008 5.449 0.009 20 0 "[ . 1 . 2]" 1
716 1 44 TYR QE 1 61 GLU H . . 5.500 4.886 4.242 5.241 . 0 0 "[ . 1 . 2]" 1
717 1 44 TYR QE 1 61 GLU HA . . 4.540 3.202 2.538 3.679 . 0 0 "[ . 1 . 2]" 1
718 1 44 TYR QE 1 62 PRO HA . . 4.530 3.774 3.281 4.303 . 0 0 "[ . 1 . 2]" 1
719 1 44 TYR QE 1 62 PRO HB2 . . 5.500 5.143 4.900 5.493 . 0 0 "[ . 1 . 2]" 1
720 1 44 TYR QE 1 62 PRO HB3 . . 4.220 3.701 3.428 4.020 . 0 0 "[ . 1 . 2]" 1
721 1 44 TYR QE 1 62 PRO HD2 . . 4.530 4.293 3.889 4.520 . 0 0 "[ . 1 . 2]" 1
722 1 44 TYR QE 1 62 PRO HD3 . . 4.300 2.743 2.322 2.994 . 0 0 "[ . 1 . 2]" 1
723 1 44 TYR QE 1 81 THR HA . . 4.650 3.500 3.279 3.749 . 0 0 "[ . 1 . 2]" 1
724 1 44 TYR QE 1 81 THR MG . . 3.470 2.558 2.009 2.890 . 0 0 "[ . 1 . 2]" 1
725 1 45 GLU H 1 45 GLU QB . . 3.570 2.355 2.306 2.380 . 0 0 "[ . 1 . 2]" 1
726 1 45 GLU H 1 45 GLU HG2 . . 4.950 4.647 4.457 4.763 . 0 0 "[ . 1 . 2]" 1
727 1 45 GLU H 1 45 GLU QG . . 4.300 4.047 3.961 4.137 . 0 0 "[ . 1 . 2]" 1
728 1 45 GLU H 1 45 GLU HG3 . . 4.950 4.461 4.285 4.739 . 0 0 "[ . 1 . 2]" 1
729 1 45 GLU H 1 46 LEU H . . 4.800 4.403 4.388 4.425 . 0 0 "[ . 1 . 2]" 1
730 1 45 GLU H 1 59 VAL MG2 . . 5.040 4.585 4.315 4.786 . 0 0 "[ . 1 . 2]" 1
731 1 45 GLU H 1 79 VAL MG2 . . 4.380 3.221 3.032 3.482 . 0 0 "[ . 1 . 2]" 1
732 1 45 GLU H 1 80 ARG H . . 3.830 2.845 2.694 3.151 . 0 0 "[ . 1 . 2]" 1
733 1 45 GLU H 1 81 THR HA . . 4.370 3.961 3.716 4.346 . 0 0 "[ . 1 . 2]" 1
734 1 45 GLU H 1 82 LEU H . . 4.960 3.735 3.115 4.758 . 0 0 "[ . 1 . 2]" 1
735 1 45 GLU H 1 82 LEU MD1 . . 4.870 3.779 2.222 4.809 . 0 0 "[ . 1 . 2]" 1
736 1 45 GLU H 1 82 LEU QD . . 4.170 3.048 2.216 3.770 . 0 0 "[ . 1 . 2]" 1
737 1 45 GLU H 1 82 LEU MD2 . . 4.870 3.876 2.268 4.838 . 0 0 "[ . 1 . 2]" 1
738 1 45 GLU H 1 82 LEU HG . . 5.500 4.095 2.867 5.490 . 0 0 "[ . 1 . 2]" 1
739 1 45 GLU HA 1 45 GLU HG2 . . 4.100 3.537 2.529 3.856 . 0 0 "[ . 1 . 2]" 1
740 1 45 GLU HA 1 45 GLU QG . . 3.570 2.653 2.146 3.075 . 0 0 "[ . 1 . 2]" 1
741 1 45 GLU HA 1 45 GLU HG3 . . 4.100 2.798 2.186 3.673 . 0 0 "[ . 1 . 2]" 1
742 1 45 GLU HA 1 46 LEU H . . 2.990 2.140 2.139 2.143 . 0 0 "[ . 1 . 2]" 1
743 1 45 GLU HA 1 46 LEU HB2 . . 4.500 4.245 4.232 4.255 . 0 0 "[ . 1 . 2]" 1
744 1 45 GLU HA 1 58 MET HA . . 3.410 2.306 2.051 2.586 . 0 0 "[ . 1 . 2]" 1
745 1 45 GLU HA 1 58 MET ME . . 5.410 5.038 4.385 5.420 0.010 19 0 "[ . 1 . 2]" 1
746 1 45 GLU HA 1 58 MET HG3 . . 4.800 3.073 2.184 4.209 . 0 0 "[ . 1 . 2]" 1
747 1 45 GLU HA 1 59 VAL H . . 4.240 3.134 2.872 3.393 . 0 0 "[ . 1 . 2]" 1
748 1 45 GLU HA 1 59 VAL MG2 . . 5.360 3.985 3.730 4.289 . 0 0 "[ . 1 . 2]" 1
749 1 45 GLU HA 1 82 LEU QD . . 4.340 3.288 2.896 3.687 . 0 0 "[ . 1 . 2]" 1
750 1 45 GLU QB 1 46 LEU H . . 4.090 3.797 3.744 3.820 . 0 0 "[ . 1 . 2]" 1
751 1 45 GLU QB 1 58 MET HG3 . . 4.490 3.643 2.540 4.486 . 0 0 "[ . 1 . 2]" 1
752 1 45 GLU QB 1 80 ARG H . . 4.510 3.469 3.280 3.988 . 0 0 "[ . 1 . 2]" 1
753 1 45 GLU QB 1 80 ARG HB2 . . 5.500 4.828 4.456 5.255 . 0 0 "[ . 1 . 2]" 1
754 1 45 GLU QB 1 80 ARG HD2 . . 4.510 3.457 1.878 4.515 0.005 7 0 "[ . 1 . 2]" 1
755 1 45 GLU QB 1 80 ARG HD3 . . 4.510 3.828 2.518 4.404 . 0 0 "[ . 1 . 2]" 1
756 1 45 GLU QB 1 80 ARG HE . . 4.820 3.433 2.127 4.826 0.006 1 0 "[ . 1 . 2]" 1
757 1 45 GLU QB 1 80 ARG HG2 . . 4.050 2.836 2.043 3.831 . 0 0 "[ . 1 . 2]" 1
758 1 45 GLU QB 1 80 ARG QG . . 3.350 2.216 1.878 2.711 . 0 0 "[ . 1 . 2]" 1
759 1 45 GLU QB 1 80 ARG HG3 . . 4.050 2.498 2.020 3.364 . 0 0 "[ . 1 . 2]" 1
760 1 45 GLU QB 1 82 LEU MD1 . . 3.460 2.459 1.807 3.313 . 0 0 "[ . 1 . 2]" 1
761 1 45 GLU QB 1 82 LEU MD2 . . 3.460 2.602 1.734 3.282 . 0 0 "[ . 1 . 2]" 1
762 1 45 GLU QB 1 82 LEU HG . . 5.500 3.069 1.974 4.490 . 0 0 "[ . 1 . 2]" 1
763 1 45 GLU QG 1 46 LEU H . . 3.870 3.058 2.830 3.612 . 0 0 "[ . 1 . 2]" 1
764 1 45 GLU QG 1 58 MET HA . . 4.620 3.832 3.003 4.562 . 0 0 "[ . 1 . 2]" 1
765 1 45 GLU QG 1 82 LEU QD . . 3.940 3.289 2.883 3.607 . 0 0 "[ . 1 . 2]" 1
766 1 45 GLU HG2 1 56 HIS HB2 . . 5.250 4.861 3.994 5.242 . 0 0 "[ . 1 . 2]" 1
767 1 45 GLU HG2 1 82 LEU MD1 . . 5.500 4.179 3.336 5.349 . 0 0 "[ . 1 . 2]" 1
768 1 45 GLU HG2 1 82 LEU MD2 . . 5.500 4.184 3.307 5.071 . 0 0 "[ . 1 . 2]" 1
769 1 45 GLU HG3 1 56 HIS HB2 . . 5.250 4.358 3.935 5.243 . 0 0 "[ . 1 . 2]" 1
770 1 45 GLU HG3 1 82 LEU MD1 . . 5.500 4.564 3.077 5.503 0.003 13 0 "[ . 1 . 2]" 1
771 1 45 GLU HG3 1 82 LEU MD2 . . 5.500 4.635 3.365 5.475 . 0 0 "[ . 1 . 2]" 1
772 1 46 LEU H 1 46 LEU HB2 . . 3.530 2.562 2.514 2.608 . 0 0 "[ . 1 . 2]" 1
773 1 46 LEU H 1 46 LEU HB3 . . 3.960 2.855 2.839 2.890 . 0 0 "[ . 1 . 2]" 1
774 1 46 LEU H 1 46 LEU MD2 . . 4.300 3.904 3.851 4.014 . 0 0 "[ . 1 . 2]" 1
775 1 46 LEU H 1 46 LEU HG . . 4.820 4.767 4.716 4.814 . 0 0 "[ . 1 . 2]" 1
776 1 46 LEU H 1 47 HIS H . . 5.230 4.453 4.416 4.488 . 0 0 "[ . 1 . 2]" 1
777 1 46 LEU H 1 57 GLN H . . 3.860 3.760 3.623 3.861 0.001 8 0 "[ . 1 . 2]" 1
778 1 46 LEU H 1 57 GLN QG . . 4.670 4.147 3.976 4.335 . 0 0 "[ . 1 . 2]" 1
779 1 46 LEU H 1 58 MET H . . 5.500 4.420 4.235 4.666 . 0 0 "[ . 1 . 2]" 1
780 1 46 LEU H 1 58 MET HA . . 4.110 2.308 2.057 2.529 . 0 0 "[ . 1 . 2]" 1
781 1 46 LEU H 1 58 MET QB . . 5.320 4.198 3.961 4.479 . 0 0 "[ . 1 . 2]" 1
782 1 46 LEU HA 1 46 LEU MD1 . . 4.010 2.746 2.594 2.948 . 0 0 "[ . 1 . 2]" 1
783 1 46 LEU HA 1 46 LEU MD2 . . 3.950 1.946 1.908 1.995 . 0 0 "[ . 1 . 2]" 1
784 1 46 LEU HA 1 46 LEU HG . . 3.960 3.662 3.618 3.689 . 0 0 "[ . 1 . 2]" 1
785 1 46 LEU HA 1 47 HIS H . . 3.010 2.168 2.154 2.184 . 0 0 "[ . 1 . 2]" 1
786 1 46 LEU HA 1 77 VAL MG1 . . 4.720 4.228 3.967 4.455 . 0 0 "[ . 1 . 2]" 1
787 1 46 LEU HA 1 79 VAL HA . . 3.420 2.637 2.525 2.800 . 0 0 "[ . 1 . 2]" 1
788 1 46 LEU HA 1 79 VAL MG2 . . 4.040 3.106 2.814 3.315 . 0 0 "[ . 1 . 2]" 1
789 1 46 LEU HA 1 80 ARG H . . 4.470 4.179 4.027 4.483 0.013 16 0 "[ . 1 . 2]" 1
790 1 46 LEU HB2 1 47 HIS H . . 4.820 4.355 4.320 4.395 . 0 0 "[ . 1 . 2]" 1
791 1 46 LEU HB2 1 59 VAL MG1 . . 4.260 2.710 2.263 3.149 . 0 0 "[ . 1 . 2]" 1
792 1 46 LEU HB2 1 66 LEU QD . . 5.440 5.345 5.090 5.441 0.001 12 0 "[ . 1 . 2]" 1
793 1 46 LEU HB2 1 79 VAL HA . . 4.770 4.644 4.368 4.769 . 0 0 "[ . 1 . 2]" 1
794 1 46 LEU HB2 1 79 VAL HB . . 5.240 4.622 4.441 4.855 . 0 0 "[ . 1 . 2]" 1
795 1 46 LEU HB2 1 79 VAL MG2 . . 3.580 3.287 3.124 3.404 . 0 0 "[ . 1 . 2]" 1
796 1 46 LEU HB3 1 47 HIS H . . 3.890 3.837 3.772 3.901 0.011 12 0 "[ . 1 . 2]" 1
797 1 46 LEU HB3 1 48 VAL MG2 . . 4.250 4.096 3.948 4.255 0.005 1 0 "[ . 1 . 2]" 1
798 1 46 LEU HB3 1 56 HIS HA . . 4.830 4.630 4.314 4.782 . 0 0 "[ . 1 . 2]" 1
799 1 46 LEU HB3 1 57 GLN H . . 3.970 3.015 2.645 3.181 . 0 0 "[ . 1 . 2]" 1
800 1 46 LEU HB3 1 57 GLN QB . . 4.700 4.325 4.130 4.541 . 0 0 "[ . 1 . 2]" 1
801 1 46 LEU HB3 1 57 GLN QG . . 3.960 2.402 2.165 2.648 . 0 0 "[ . 1 . 2]" 1
802 1 46 LEU HB3 1 66 LEU QD . . 4.890 4.533 4.238 4.657 . 0 0 "[ . 1 . 2]" 1
803 1 46 LEU MD1 1 47 HIS H . . 4.340 2.214 1.927 2.442 . 0 0 "[ . 1 . 2]" 1
804 1 46 LEU MD1 1 48 VAL HB . . 4.790 3.929 3.824 4.040 . 0 0 "[ . 1 . 2]" 1
805 1 46 LEU MD1 1 48 VAL MG1 . . 4.130 4.018 3.933 4.126 . 0 0 "[ . 1 . 2]" 1
806 1 46 LEU MD1 1 48 VAL MG2 . . 3.340 1.902 1.763 2.004 . 0 0 "[ . 1 . 2]" 1
807 1 46 LEU MD1 1 57 GLN QG . . 4.550 3.095 2.795 3.615 . 0 0 "[ . 1 . 2]" 1
808 1 46 LEU MD1 1 59 VAL MG1 . . 4.640 4.239 3.878 4.559 . 0 0 "[ . 1 . 2]" 1
809 1 46 LEU MD1 1 59 VAL MG2 . . 4.540 4.460 4.351 4.540 . 0 0 "[ . 1 . 2]" 1
810 1 46 LEU MD1 1 64 VAL HB . . 4.480 4.324 4.035 4.484 0.004 13 0 "[ . 1 . 2]" 1
811 1 46 LEU MD1 1 64 VAL MG1 . . 3.110 2.927 2.629 3.119 0.009 14 0 "[ . 1 . 2]" 1
812 1 46 LEU MD1 1 64 VAL MG2 . . 3.610 3.010 2.589 3.434 . 0 0 "[ . 1 . 2]" 1
813 1 46 LEU MD1 1 79 VAL HA . . 4.650 4.326 4.000 4.636 . 0 0 "[ . 1 . 2]" 1
814 1 46 LEU MD1 1 79 VAL HB . . 4.220 4.069 3.763 4.226 0.006 12 0 "[ . 1 . 2]" 1
815 1 46 LEU MD1 1 79 VAL MG1 . . 5.400 5.081 4.835 5.246 . 0 0 "[ . 1 . 2]" 1
816 1 46 LEU MD1 1 79 VAL MG2 . . 4.470 4.248 4.060 4.425 . 0 0 "[ . 1 . 2]" 1
817 1 46 LEU MD2 1 47 HIS H . . 4.480 2.903 2.545 3.263 . 0 0 "[ . 1 . 2]" 1
818 1 46 LEU MD2 1 48 VAL MG2 . . 3.900 3.827 3.694 3.915 0.015 9 0 "[ . 1 . 2]" 1
819 1 46 LEU MD2 1 57 GLN H . . 5.500 5.383 5.131 5.506 0.006 13 0 "[ . 1 . 2]" 1
820 1 46 LEU MD2 1 57 GLN QG . . 4.930 4.652 4.430 4.831 . 0 0 "[ . 1 . 2]" 1
821 1 46 LEU MD2 1 59 VAL MG1 . . 4.090 3.963 3.647 4.094 0.004 18 0 "[ . 1 . 2]" 1
822 1 46 LEU MD2 1 59 VAL MG2 . . 3.470 3.129 2.914 3.301 . 0 0 "[ . 1 . 2]" 1
823 1 46 LEU MD2 1 64 VAL HB . . 3.780 3.426 3.096 3.770 . 0 0 "[ . 1 . 2]" 1
824 1 46 LEU MD2 1 64 VAL MG1 . . 3.050 2.517 2.266 2.716 . 0 0 "[ . 1 . 2]" 1
825 1 46 LEU MD2 1 64 VAL MG2 . . 3.890 3.662 3.350 3.873 . 0 0 "[ . 1 . 2]" 1
826 1 46 LEU MD2 1 79 VAL HA . . 4.640 2.609 2.311 2.711 . 0 0 "[ . 1 . 2]" 1
827 1 46 LEU MD2 1 79 VAL HB . . 3.870 1.951 1.840 2.125 . 0 0 "[ . 1 . 2]" 1
828 1 46 LEU MD2 1 79 VAL MG1 . . 4.320 3.238 3.142 3.406 . 0 0 "[ . 1 . 2]" 1
829 1 46 LEU MD2 1 79 VAL MG2 . . 3.610 1.919 1.828 1.996 . 0 0 "[ . 1 . 2]" 1
830 1 46 LEU MD2 1 80 ARG H . . 4.790 4.100 3.884 4.244 . 0 0 "[ . 1 . 2]" 1
831 1 46 LEU HG 1 47 HIS H . . 4.710 4.549 4.465 4.662 . 0 0 "[ . 1 . 2]" 1
832 1 46 LEU HG 1 48 VAL MG2 . . 4.240 3.901 3.729 4.098 . 0 0 "[ . 1 . 2]" 1
833 1 46 LEU HG 1 57 GLN QG . . 4.810 3.752 3.413 4.100 . 0 0 "[ . 1 . 2]" 1
834 1 46 LEU HG 1 64 VAL MG1 . . 4.080 2.455 2.049 2.694 . 0 0 "[ . 1 . 2]" 1
835 1 46 LEU HG 1 64 VAL MG2 . . 4.350 2.430 2.031 2.822 . 0 0 "[ . 1 . 2]" 1
836 1 46 LEU HG 1 66 LEU QD . . 4.360 3.802 3.587 3.963 . 0 0 "[ . 1 . 2]" 1
837 1 46 LEU HG 1 77 VAL MG1 . . 3.930 3.593 3.431 3.851 . 0 0 "[ . 1 . 2]" 1
838 1 46 LEU HG 1 79 VAL HA . . 5.500 5.474 5.254 5.512 0.012 18 0 "[ . 1 . 2]" 1
839 1 46 LEU HG 1 79 VAL HB . . 4.760 4.528 4.280 4.768 0.008 10 0 "[ . 1 . 2]" 1
840 1 46 LEU HG 1 79 VAL MG2 . . 4.250 4.076 3.859 4.239 . 0 0 "[ . 1 . 2]" 1
841 1 47 HIS H 1 47 HIS HB2 . . 3.740 3.101 2.939 3.286 . 0 0 "[ . 1 . 2]" 1
842 1 47 HIS H 1 47 HIS HB3 . . 3.710 2.810 2.693 2.931 . 0 0 "[ . 1 . 2]" 1
843 1 47 HIS H 1 47 HIS HD2 . . 5.190 4.993 4.910 5.134 . 0 0 "[ . 1 . 2]" 1
844 1 47 HIS H 1 48 VAL HA . . 5.200 4.693 4.647 4.777 . 0 0 "[ . 1 . 2]" 1
845 1 47 HIS H 1 48 VAL MG2 . . 4.510 3.843 3.726 3.972 . 0 0 "[ . 1 . 2]" 1
846 1 47 HIS H 1 77 VAL MG1 . . 4.490 3.574 3.081 3.827 . 0 0 "[ . 1 . 2]" 1
847 1 47 HIS H 1 78 ARG H . . 3.730 2.869 2.719 3.053 . 0 0 "[ . 1 . 2]" 1
848 1 47 HIS H 1 78 ARG HA . . 5.500 4.921 4.849 5.025 . 0 0 "[ . 1 . 2]" 1
849 1 47 HIS H 1 78 ARG HG3 . . 4.490 3.023 2.370 3.770 . 0 0 "[ . 1 . 2]" 1
850 1 47 HIS H 1 79 VAL HA . . 4.110 3.735 3.566 4.051 . 0 0 "[ . 1 . 2]" 1
851 1 47 HIS H 1 79 VAL MG2 . . 4.940 4.727 4.430 4.947 0.007 14 0 "[ . 1 . 2]" 1
852 1 47 HIS H 1 90 PHE QE . . 4.730 4.297 3.967 4.678 . 0 0 "[ . 1 . 2]" 1
853 1 47 HIS HA 1 47 HIS HD2 . . 3.560 2.466 2.266 2.686 . 0 0 "[ . 1 . 2]" 1
854 1 47 HIS HA 1 48 VAL H . . 3.060 2.146 2.140 2.162 . 0 0 "[ . 1 . 2]" 1
855 1 47 HIS HA 1 48 VAL MG2 . . 4.350 3.837 3.711 4.013 . 0 0 "[ . 1 . 2]" 1
856 1 47 HIS HA 1 56 HIS HA . . 3.520 2.086 1.999 2.227 . 0 0 "[ . 1 . 2]" 1
857 1 47 HIS HA 1 56 HIS HB2 . . 4.760 2.926 2.176 3.394 . 0 0 "[ . 1 . 2]" 1
858 1 47 HIS HA 1 57 GLN H . . 4.930 3.151 3.002 3.279 . 0 0 "[ . 1 . 2]" 1
859 1 47 HIS HB2 1 48 VAL H . . 4.580 4.431 4.317 4.506 . 0 0 "[ . 1 . 2]" 1
860 1 47 HIS HB2 1 78 ARG H . . 5.430 5.158 4.742 5.446 0.016 18 0 "[ . 1 . 2]" 1
861 1 47 HIS HB2 1 78 ARG HG2 . . 5.020 4.348 3.958 4.850 . 0 0 "[ . 1 . 2]" 1
862 1 47 HIS HB2 1 78 ARG HG3 . . 4.430 3.406 3.219 3.598 . 0 0 "[ . 1 . 2]" 1
863 1 47 HIS HB2 1 90 PHE QE . . 4.590 3.174 2.765 4.088 . 0 0 "[ . 1 . 2]" 1
864 1 47 HIS HB2 1 90 PHE HZ . . 4.680 4.369 4.155 4.687 0.007 16 0 "[ . 1 . 2]" 1
865 1 47 HIS HB3 1 48 VAL H . . 4.570 4.290 4.196 4.388 . 0 0 "[ . 1 . 2]" 1
866 1 47 HIS HB3 1 49 LEU QD . . 4.400 3.244 3.012 3.513 . 0 0 "[ . 1 . 2]" 1
867 1 47 HIS HB3 1 78 ARG H . . 4.670 3.859 3.381 4.227 . 0 0 "[ . 1 . 2]" 1
868 1 47 HIS HB3 1 78 ARG HB3 . . 4.910 4.731 4.491 4.912 0.002 9 0 "[ . 1 . 2]" 1
869 1 47 HIS HB3 1 78 ARG HG2 . . 4.400 2.628 2.216 3.101 . 0 0 "[ . 1 . 2]" 1
870 1 47 HIS HB3 1 78 ARG HG3 . . 4.300 2.061 1.986 2.274 . 0 0 "[ . 1 . 2]" 1
871 1 47 HIS HB3 1 90 PHE QD . . 5.500 4.090 3.622 4.567 . 0 0 "[ . 1 . 2]" 1
872 1 47 HIS HB3 1 90 PHE QE . . 5.500 3.828 3.271 4.252 . 0 0 "[ . 1 . 2]" 1
873 1 47 HIS HB3 1 90 PHE HZ . . 5.500 5.467 5.203 5.515 0.015 13 0 "[ . 1 . 2]" 1
874 1 47 HIS HD2 1 48 VAL H . . 3.570 2.491 2.157 3.014 . 0 0 "[ . 1 . 2]" 1
875 1 47 HIS HD2 1 49 LEU QD . . 4.620 3.105 2.113 3.872 . 0 0 "[ . 1 . 2]" 1
876 1 47 HIS HD2 1 55 TRP H . . 4.300 3.693 3.403 4.042 . 0 0 "[ . 1 . 2]" 1
877 1 47 HIS HD2 1 56 HIS HA . . 4.390 2.876 2.494 3.365 . 0 0 "[ . 1 . 2]" 1
878 1 47 HIS HD2 1 56 HIS HB2 . . 4.500 3.782 3.019 4.394 . 0 0 "[ . 1 . 2]" 1
879 1 47 HIS HE1 1 49 LEU MD1 . . 4.520 3.652 2.666 4.522 0.002 14 0 "[ . 1 . 2]" 1
880 1 47 HIS HE1 1 49 LEU QD . . 3.940 3.012 2.049 3.921 . 0 0 "[ . 1 . 2]" 1
881 1 47 HIS HE1 1 49 LEU MD2 . . 4.520 3.245 2.129 4.351 . 0 0 "[ . 1 . 2]" 1
882 1 48 VAL H 1 48 VAL HB . . 3.750 2.556 2.489 2.606 . 0 0 "[ . 1 . 2]" 1
883 1 48 VAL H 1 48 VAL MG1 . . 4.230 3.815 3.777 3.836 . 0 0 "[ . 1 . 2]" 1
884 1 48 VAL H 1 48 VAL MG2 . . 3.510 2.691 2.449 2.850 . 0 0 "[ . 1 . 2]" 1
885 1 48 VAL H 1 49 LEU H . . 4.800 4.460 4.312 4.522 . 0 0 "[ . 1 . 2]" 1
886 1 48 VAL H 1 49 LEU QD . . 4.740 3.685 3.307 4.174 . 0 0 "[ . 1 . 2]" 1
887 1 48 VAL H 1 55 TRP H . . 3.950 3.920 3.774 3.973 0.023 13 0 "[ . 1 . 2]" 1
888 1 48 VAL H 1 56 HIS HA . . 4.170 2.489 2.258 2.754 . 0 0 "[ . 1 . 2]" 1
889 1 48 VAL H 1 57 GLN H . . 5.420 4.103 3.933 4.298 . 0 0 "[ . 1 . 2]" 1
890 1 48 VAL HA 1 48 VAL MG1 . . 3.270 2.366 2.294 2.470 . 0 0 "[ . 1 . 2]" 1
891 1 48 VAL HA 1 48 VAL MG2 . . 3.450 2.337 2.209 2.437 . 0 0 "[ . 1 . 2]" 1
892 1 48 VAL HA 1 49 LEU H . . 3.120 2.175 2.141 2.202 . 0 0 "[ . 1 . 2]" 1
893 1 48 VAL HA 1 49 LEU HA . . 4.840 4.402 4.391 4.417 . 0 0 "[ . 1 . 2]" 1
894 1 48 VAL HA 1 49 LEU HB2 . . 4.940 4.569 4.411 4.720 . 0 0 "[ . 1 . 2]" 1
895 1 48 VAL HA 1 49 LEU QD . . 3.870 2.729 2.489 2.912 . 0 0 "[ . 1 . 2]" 1
896 1 48 VAL HA 1 76 ILE HB . . 5.010 4.433 4.183 4.761 . 0 0 "[ . 1 . 2]" 1
897 1 48 VAL HA 1 76 ILE MG . . 4.770 4.517 4.337 4.676 . 0 0 "[ . 1 . 2]" 1
898 1 48 VAL HA 1 77 VAL HA . . 3.890 2.452 2.300 2.627 . 0 0 "[ . 1 . 2]" 1
899 1 48 VAL HA 1 77 VAL MG1 . . 4.430 3.667 3.324 3.948 . 0 0 "[ . 1 . 2]" 1
900 1 48 VAL HA 1 77 VAL MG2 . . 3.870 3.150 2.584 3.693 . 0 0 "[ . 1 . 2]" 1
901 1 48 VAL HB 1 55 TRP H . . 4.220 3.799 3.251 4.125 . 0 0 "[ . 1 . 2]" 1
902 1 48 VAL HB 1 55 TRP HD1 . . 5.150 3.755 3.455 4.291 . 0 0 "[ . 1 . 2]" 1
903 1 48 VAL HB 1 55 TRP HE3 . . 4.980 4.916 4.737 4.995 0.015 6 0 "[ . 1 . 2]" 1
904 1 48 VAL MG1 1 49 LEU H . . 3.520 2.324 1.991 2.838 . 0 0 "[ . 1 . 2]" 1
905 1 48 VAL MG1 1 49 LEU HA . . 4.390 3.608 3.497 3.708 . 0 0 "[ . 1 . 2]" 1
906 1 48 VAL MG1 1 55 TRP H . . 4.270 4.056 3.626 4.275 0.005 17 0 "[ . 1 . 2]" 1
907 1 48 VAL MG1 1 55 TRP HE3 . . 4.750 4.380 3.970 4.657 . 0 0 "[ . 1 . 2]" 1
908 1 48 VAL MG1 1 55 TRP HH2 . . 3.890 3.081 2.776 3.513 . 0 0 "[ . 1 . 2]" 1
909 1 48 VAL MG1 1 55 TRP HZ2 . . 3.730 2.559 2.101 3.237 . 0 0 "[ . 1 . 2]" 1
910 1 48 VAL MG1 1 55 TRP HZ3 . . 4.290 3.909 3.607 4.231 . 0 0 "[ . 1 . 2]" 1
911 1 48 VAL MG1 1 66 LEU QD . . 3.400 2.479 2.198 2.774 . 0 0 "[ . 1 . 2]" 1
912 1 48 VAL MG1 1 75 TYR QB . . 3.440 2.770 2.319 2.942 . 0 0 "[ . 1 . 2]" 1
913 1 48 VAL MG1 1 75 TYR QD . . 3.180 2.798 2.644 3.083 . 0 0 "[ . 1 . 2]" 1
914 1 48 VAL MG1 1 75 TYR QE . . 4.350 4.189 3.997 4.349 . 0 0 "[ . 1 . 2]" 1
915 1 48 VAL MG1 1 76 ILE H . . 4.430 3.599 3.252 3.798 . 0 0 "[ . 1 . 2]" 1
916 1 48 VAL MG1 1 77 VAL HA . . 4.720 3.626 3.345 3.781 . 0 0 "[ . 1 . 2]" 1
917 1 48 VAL MG1 1 77 VAL MG2 . . 3.210 2.460 2.062 2.903 . 0 0 "[ . 1 . 2]" 1
918 1 48 VAL MG2 1 49 LEU H . . 4.280 3.973 3.837 4.104 . 0 0 "[ . 1 . 2]" 1
919 1 48 VAL MG2 1 55 TRP HD1 . . 4.460 4.102 3.845 4.461 0.001 7 0 "[ . 1 . 2]" 1
920 1 48 VAL MG2 1 55 TRP HE1 . . 3.940 2.769 2.413 3.090 . 0 0 "[ . 1 . 2]" 1
921 1 48 VAL MG2 1 55 TRP HH2 . . 5.410 5.022 4.733 5.416 0.006 5 0 "[ . 1 . 2]" 1
922 1 48 VAL MG2 1 55 TRP HZ2 . . 4.170 3.454 3.098 3.889 . 0 0 "[ . 1 . 2]" 1
923 1 48 VAL MG2 1 57 GLN QG . . 4.860 3.623 3.404 3.919 . 0 0 "[ . 1 . 2]" 1
924 1 48 VAL MG2 1 66 LEU MD1 . . 3.270 1.988 1.844 2.273 . 0 0 "[ . 1 . 2]" 1
925 1 48 VAL MG2 1 66 LEU QD . . 2.810 1.800 1.669 1.975 . 0 0 "[ . 1 . 2]" 1
926 1 48 VAL MG2 1 66 LEU MD2 . . 3.270 2.104 1.868 2.444 . 0 0 "[ . 1 . 2]" 1
927 1 48 VAL MG2 1 77 VAL HA . . 4.030 2.950 2.751 3.138 . 0 0 "[ . 1 . 2]" 1
928 1 48 VAL MG2 1 77 VAL HB . . 4.800 4.307 4.066 4.549 . 0 0 "[ . 1 . 2]" 1
929 1 48 VAL MG2 1 77 VAL MG1 . . 3.510 2.292 1.941 2.622 . 0 0 "[ . 1 . 2]" 1
930 1 48 VAL MG2 1 77 VAL MG2 . . 3.430 2.178 1.888 2.635 . 0 0 "[ . 1 . 2]" 1
931 1 48 VAL MG2 1 78 ARG H . . 4.420 3.712 3.559 3.998 . 0 0 "[ . 1 . 2]" 1
932 1 49 LEU H 1 49 LEU HB2 . . 3.880 2.648 2.522 2.803 . 0 0 "[ . 1 . 2]" 1
933 1 49 LEU H 1 49 LEU HB3 . . 4.030 3.771 3.695 3.834 . 0 0 "[ . 1 . 2]" 1
934 1 49 LEU H 1 49 LEU MD1 . . 4.550 2.166 1.921 2.515 . 0 0 "[ . 1 . 2]" 1
935 1 49 LEU H 1 49 LEU QD . . 3.620 2.159 1.918 2.501 . 0 0 "[ . 1 . 2]" 1
936 1 49 LEU H 1 49 LEU MD2 . . 4.550 4.301 3.931 4.496 . 0 0 "[ . 1 . 2]" 1
937 1 49 LEU H 1 49 LEU HG . . 4.210 3.767 3.510 3.973 . 0 0 "[ . 1 . 2]" 1
938 1 49 LEU H 1 50 ASN H . . 4.740 4.396 4.185 4.517 . 0 0 "[ . 1 . 2]" 1
939 1 49 LEU H 1 76 ILE H . . 3.720 3.327 3.102 3.607 . 0 0 "[ . 1 . 2]" 1
940 1 49 LEU H 1 76 ILE HB . . 4.180 2.793 2.547 3.017 . 0 0 "[ . 1 . 2]" 1
941 1 49 LEU H 1 76 ILE MG . . 4.600 3.852 3.673 4.020 . 0 0 "[ . 1 . 2]" 1
942 1 49 LEU HA 1 49 LEU MD1 . . 4.030 3.215 2.840 3.469 . 0 0 "[ . 1 . 2]" 1
943 1 49 LEU HA 1 49 LEU QD . . 3.500 3.015 2.774 3.127 . 0 0 "[ . 1 . 2]" 1
944 1 49 LEU HA 1 49 LEU MD2 . . 4.030 3.685 3.507 3.890 . 0 0 "[ . 1 . 2]" 1
945 1 49 LEU HA 1 49 LEU HG . . 3.900 2.553 2.425 2.713 . 0 0 "[ . 1 . 2]" 1
946 1 49 LEU HA 1 50 ASN H . . 2.860 2.241 2.140 2.389 . 0 0 "[ . 1 . 2]" 1
947 1 49 LEU HA 1 50 ASN HA . . 5.220 4.432 4.379 4.508 . 0 0 "[ . 1 . 2]" 1
948 1 49 LEU HA 1 53 GLU H . . 5.500 5.338 5.189 5.524 0.024 12 0 "[ . 1 . 2]" 1
949 1 49 LEU HA 1 54 GLU HA . . 3.330 2.088 1.997 2.197 . 0 0 "[ . 1 . 2]" 1
950 1 49 LEU HA 1 54 GLU HB2 . . 4.620 3.118 2.490 3.504 . 0 0 "[ . 1 . 2]" 1
951 1 49 LEU HA 1 54 GLU HB3 . . 5.240 4.510 4.034 4.755 . 0 0 "[ . 1 . 2]" 1
952 1 49 LEU HA 1 54 GLU HG2 . . 5.140 4.028 3.525 4.255 . 0 0 "[ . 1 . 2]" 1
953 1 49 LEU HA 1 54 GLU HG3 . . 5.500 3.632 2.799 4.709 . 0 0 "[ . 1 . 2]" 1
954 1 49 LEU HA 1 55 TRP H . . 3.920 3.092 2.752 3.462 . 0 0 "[ . 1 . 2]" 1
955 1 49 LEU HB2 1 49 LEU MD1 . . 3.550 2.214 2.088 2.356 . 0 0 "[ . 1 . 2]" 1
956 1 49 LEU HB2 1 49 LEU MD2 . . 3.550 2.529 2.246 2.693 . 0 0 "[ . 1 . 2]" 1
957 1 49 LEU HB2 1 50 ASN H . . 4.600 3.946 3.549 4.367 . 0 0 "[ . 1 . 2]" 1
958 1 49 LEU HB2 1 50 ASN HA . . 5.500 4.709 4.424 5.090 . 0 0 "[ . 1 . 2]" 1
959 1 49 LEU HB2 1 76 ILE H . . 4.340 3.773 3.448 4.261 . 0 0 "[ . 1 . 2]" 1
960 1 49 LEU HB2 1 76 ILE HB . . 3.450 2.132 2.050 2.276 . 0 0 "[ . 1 . 2]" 1
961 1 49 LEU HB2 1 76 ILE MG . . 4.430 3.418 3.285 3.546 . 0 0 "[ . 1 . 2]" 1
962 1 49 LEU HB3 1 50 ASN H . . 3.880 2.962 2.444 3.566 . 0 0 "[ . 1 . 2]" 1
963 1 49 LEU HB3 1 50 ASN HA . . 4.840 4.581 4.260 4.879 0.039 20 0 "[ . 1 . 2]" 1
964 1 49 LEU HB3 1 54 GLU HG2 . . 5.110 5.116 5.003 5.150 0.040 14 0 "[ . 1 . 2]" 1
965 1 49 LEU HB3 1 54 GLU HG3 . . 5.330 4.006 3.546 4.923 . 0 0 "[ . 1 . 2]" 1
966 1 49 LEU HB3 1 76 ILE HB . . 3.820 3.809 3.599 3.835 0.015 13 0 "[ . 1 . 2]" 1
967 1 49 LEU HB3 1 76 ILE MG . . 4.930 4.787 4.617 4.912 . 0 0 "[ . 1 . 2]" 1
968 1 49 LEU QD 1 50 ASN H . . 4.470 4.165 3.863 4.397 . 0 0 "[ . 1 . 2]" 1
969 1 49 LEU QD 1 50 ASN HA . . 5.440 5.278 5.119 5.464 0.024 9 0 "[ . 1 . 2]" 1
970 1 49 LEU QD 1 54 GLU HA . . 4.260 4.003 3.785 4.292 0.032 12 0 "[ . 1 . 2]" 1
971 1 49 LEU QD 1 54 GLU HB2 . . 4.000 3.215 2.579 3.934 . 0 0 "[ . 1 . 2]" 1
972 1 49 LEU QD 1 54 GLU HB3 . . 4.920 4.371 3.851 4.924 0.004 4 0 "[ . 1 . 2]" 1
973 1 49 LEU QD 1 54 GLU HG2 . . 4.590 3.799 3.356 4.222 . 0 0 "[ . 1 . 2]" 1
974 1 49 LEU QD 1 54 GLU HG3 . . 4.040 2.814 2.276 3.296 . 0 0 "[ . 1 . 2]" 1
975 1 49 LEU QD 1 76 ILE HB . . 3.600 2.664 2.167 3.137 . 0 0 "[ . 1 . 2]" 1
976 1 49 LEU QD 1 76 ILE MG . . 3.550 2.721 2.297 3.158 . 0 0 "[ . 1 . 2]" 1
977 1 49 LEU QD 1 78 ARG QD . . 3.830 3.131 2.062 3.734 . 0 0 "[ . 1 . 2]" 1
978 1 49 LEU QD 1 78 ARG HG3 . . 4.740 3.940 3.580 4.250 . 0 0 "[ . 1 . 2]" 1
979 1 49 LEU MD1 1 50 ASN H . . 5.170 4.833 4.570 5.031 . 0 0 "[ . 1 . 2]" 1
980 1 49 LEU MD1 1 54 GLU HA . . 4.990 4.539 4.099 4.868 . 0 0 "[ . 1 . 2]" 1
981 1 49 LEU MD1 1 54 GLU HB2 . . 4.650 4.641 4.062 4.742 0.092 13 0 "[ . 1 . 2]" 1
982 1 49 LEU MD1 1 54 GLU HG2 . . 5.500 4.408 3.593 5.039 . 0 0 "[ . 1 . 2]" 1
983 1 49 LEU MD1 1 54 GLU HG3 . . 5.010 3.710 3.321 4.441 . 0 0 "[ . 1 . 2]" 1
984 1 49 LEU MD1 1 76 ILE HB . . 4.240 2.731 2.177 3.256 . 0 0 "[ . 1 . 2]" 1
985 1 49 LEU MD2 1 50 ASN H . . 5.170 4.563 4.094 5.015 . 0 0 "[ . 1 . 2]" 1
986 1 49 LEU MD2 1 54 GLU HA . . 4.990 4.506 3.976 4.994 0.004 4 0 "[ . 1 . 2]" 1
987 1 49 LEU MD2 1 54 GLU HB2 . . 4.650 3.298 2.591 4.227 . 0 0 "[ . 1 . 2]" 1
988 1 49 LEU MD2 1 54 GLU HG2 . . 5.500 4.206 3.845 4.770 . 0 0 "[ . 1 . 2]" 1
989 1 49 LEU MD2 1 54 GLU HG3 . . 5.010 2.949 2.308 3.398 . 0 0 "[ . 1 . 2]" 1
990 1 49 LEU MD2 1 76 ILE HB . . 4.240 3.823 3.274 4.246 0.006 9 0 "[ . 1 . 2]" 1
991 1 49 LEU HG 1 50 ASN H . . 5.210 4.380 4.128 4.699 . 0 0 "[ . 1 . 2]" 1
992 1 49 LEU HG 1 54 GLU HA . . 4.470 3.525 3.132 3.952 . 0 0 "[ . 1 . 2]" 1
993 1 49 LEU HG 1 54 GLU HB2 . . 4.350 3.174 2.418 3.415 . 0 0 "[ . 1 . 2]" 1
994 1 49 LEU HG 1 54 GLU HB3 . . 4.940 4.547 3.913 4.708 . 0 0 "[ . 1 . 2]" 1
995 1 49 LEU HG 1 54 GLU HG3 . . 4.610 2.282 1.956 3.249 . 0 0 "[ . 1 . 2]" 1
996 1 50 ASN H 1 50 ASN HB2 . . 4.180 3.139 2.614 3.654 . 0 0 "[ . 1 . 2]" 1
997 1 50 ASN H 1 50 ASN QB . . 3.500 2.505 2.182 2.778 . 0 0 "[ . 1 . 2]" 1
998 1 50 ASN H 1 50 ASN HB3 . . 4.180 2.703 2.224 3.140 . 0 0 "[ . 1 . 2]" 1
999 1 50 ASN H 1 53 GLU H . . 3.880 3.386 3.153 3.643 . 0 0 "[ . 1 . 2]" 1
1000 1 50 ASN H 1 53 GLU HB2 . . 5.500 4.094 3.472 4.698 . 0 0 "[ . 1 . 2]" 1
1001 1 50 ASN H 1 53 GLU QB . . 4.780 3.841 3.346 4.322 . 0 0 "[ . 1 . 2]" 1
1002 1 50 ASN H 1 53 GLU HB3 . . 5.500 4.686 3.879 5.072 . 0 0 "[ . 1 . 2]" 1
1003 1 50 ASN H 1 54 GLU HA . . 3.930 2.781 2.419 3.086 . 0 0 "[ . 1 . 2]" 1
1004 1 50 ASN H 1 54 GLU HB2 . . 5.000 3.512 2.839 3.919 . 0 0 "[ . 1 . 2]" 1
1005 1 50 ASN H 1 54 GLU HB3 . . 5.500 4.772 4.246 5.030 . 0 0 "[ . 1 . 2]" 1
1006 1 50 ASN H 1 54 GLU HG2 . . 5.500 5.420 5.082 5.556 0.056 13 0 "[ . 1 . 2]" 1
1007 1 50 ASN H 1 55 TRP H . . 4.860 4.457 3.877 4.860 0.000 4 0 "[ . 1 . 2]" 1
1008 1 50 ASN HA 1 50 ASN HD21 . . 4.740 3.753 2.185 4.425 . 0 0 "[ . 1 . 2]" 1
1009 1 50 ASN HA 1 50 ASN HD22 . . 4.740 4.382 3.519 4.597 . 0 0 "[ . 1 . 2]" 1
1010 1 50 ASN HA 1 51 GLN H . . 3.250 2.513 2.454 2.621 . 0 0 "[ . 1 . 2]" 1
1011 1 50 ASN HA 1 73 THR MG . . 4.890 4.484 4.034 4.893 0.003 8 0 "[ . 1 . 2]" 1
1012 1 50 ASN HA 1 75 TYR QE . . 5.030 4.279 3.473 5.030 0.000 4 0 "[ . 1 . 2]" 1
1013 1 50 ASN QB 1 51 GLN H . . 3.210 3.018 2.741 3.160 . 0 0 "[ . 1 . 2]" 1
1014 1 50 ASN QB 1 53 GLU H . . 4.050 2.632 1.954 3.267 . 0 0 "[ . 1 . 2]" 1
1015 1 50 ASN QB 1 53 GLU QB . . 4.040 2.001 1.915 2.291 . 0 0 "[ . 1 . 2]" 1
1016 1 50 ASN QB 1 53 GLU QG . . 4.950 3.696 2.504 3.916 . 0 0 "[ . 1 . 2]" 1
1017 1 50 ASN QB 1 73 THR MG . . 4.570 4.260 3.586 4.555 . 0 0 "[ . 1 . 2]" 1
1018 1 50 ASN QB 1 75 TYR QE . . 4.020 2.439 1.995 2.983 . 0 0 "[ . 1 . 2]" 1
1019 1 50 ASN HB2 1 51 GLN H . . 3.850 3.585 3.330 3.866 0.016 14 0 "[ . 1 . 2]" 1
1020 1 50 ASN HB2 1 75 TYR QD . . 4.660 2.691 2.003 2.954 . 0 0 "[ . 1 . 2]" 1
1021 1 50 ASN HB2 1 75 TYR QE . . 4.630 2.487 2.003 3.084 . 0 0 "[ . 1 . 2]" 1
1022 1 50 ASN HB3 1 51 GLN H . . 3.850 3.375 2.823 3.818 . 0 0 "[ . 1 . 2]" 1
1023 1 50 ASN HB3 1 75 TYR QD . . 4.660 4.227 3.270 4.607 . 0 0 "[ . 1 . 2]" 1
1024 1 50 ASN HB3 1 75 TYR QE . . 4.630 3.658 3.019 4.245 . 0 0 "[ . 1 . 2]" 1
1025 1 50 ASN QD 1 53 GLU QG . . 4.410 3.959 3.234 4.413 0.003 7 0 "[ . 1 . 2]" 1
1026 1 50 ASN QD 1 75 TYR QE . . 3.640 2.476 2.061 2.938 . 0 0 "[ . 1 . 2]" 1
1027 1 50 ASN HD21 1 73 THR MG . . 3.810 3.252 2.086 3.811 0.001 5 0 "[ . 1 . 2]" 1
1028 1 50 ASN HD21 1 75 TYR QE . . 4.320 2.623 2.071 3.287 . 0 0 "[ . 1 . 2]" 1
1029 1 50 ASN HD22 1 73 THR MG . . 3.810 2.538 1.874 3.456 . 0 0 "[ . 1 . 2]" 1
1030 1 50 ASN HD22 1 75 TYR QE . . 4.320 3.345 2.575 4.080 . 0 0 "[ . 1 . 2]" 1
1031 1 51 GLN H 1 51 GLN HB2 . . 3.790 2.384 2.159 2.595 . 0 0 "[ . 1 . 2]" 1
1032 1 51 GLN H 1 51 GLN HB3 . . 3.790 3.522 3.131 3.625 . 0 0 "[ . 1 . 2]" 1
1033 1 51 GLN H 1 51 GLN HG2 . . 4.180 3.214 2.061 4.314 0.134 12 0 "[ . 1 . 2]" 1
1034 1 51 GLN H 1 51 GLN HG3 . . 4.180 3.220 2.282 3.960 . 0 0 "[ . 1 . 2]" 1
1035 1 51 GLN H 1 52 ASP H . . 3.880 3.205 2.755 3.395 . 0 0 "[ . 1 . 2]" 1
1036 1 51 GLN HA 1 51 GLN QG . . 3.370 2.395 2.174 2.893 . 0 0 "[ . 1 . 2]" 1
1037 1 51 GLN HA 1 53 GLU H . . 4.920 4.484 4.309 4.675 . 0 0 "[ . 1 . 2]" 1
1038 1 51 GLN QB 1 53 GLU H . . 4.560 4.091 3.705 4.257 . 0 0 "[ . 1 . 2]" 1
1039 1 51 GLN HB2 1 52 ASP H . . 3.390 2.440 2.014 3.257 . 0 0 "[ . 1 . 2]" 1
1040 1 51 GLN HB3 1 52 ASP H . . 3.390 2.771 1.983 3.402 0.012 9 0 "[ . 1 . 2]" 1
1041 1 51 GLN QG 1 52 ASP H . . 4.150 4.026 3.858 4.170 0.020 5 0 "[ . 1 . 2]" 1
1042 1 51 GLN HG2 1 52 ASP H . . 4.810 4.524 4.085 4.818 0.008 13 0 "[ . 1 . 2]" 1
1043 1 51 GLN HG3 1 52 ASP H . . 4.810 4.559 4.189 4.819 0.009 12 0 "[ . 1 . 2]" 1
1044 1 52 ASP H 1 52 ASP HB2 . . 3.770 2.751 2.372 3.659 . 0 0 "[ . 1 . 2]" 1
1045 1 52 ASP H 1 52 ASP QB . . 3.210 2.587 2.339 3.189 . 0 0 "[ . 1 . 2]" 1
1046 1 52 ASP H 1 52 ASP HB3 . . 3.770 3.412 2.892 3.672 . 0 0 "[ . 1 . 2]" 1
1047 1 52 ASP H 1 53 GLU H . . 2.910 2.410 1.879 2.811 . 0 0 "[ . 1 . 2]" 1
1048 1 52 ASP H 1 53 GLU QG . . 4.060 3.619 2.711 3.962 . 0 0 "[ . 1 . 2]" 1
1049 1 52 ASP QB 1 53 GLU H . . 3.790 3.783 3.685 3.844 0.054 9 0 "[ . 1 . 2]" 1
1050 1 52 ASP QB 1 53 GLU QG . . 3.890 3.306 3.065 3.533 . 0 0 "[ . 1 . 2]" 1
1051 1 52 ASP HB2 1 53 GLU H . . 4.560 4.240 4.011 4.510 . 0 0 "[ . 1 . 2]" 1
1052 1 52 ASP HB2 1 53 GLU QG . . 4.760 4.007 3.317 4.772 0.012 17 0 "[ . 1 . 2]" 1
1053 1 52 ASP HB3 1 53 GLU H . . 4.560 4.290 3.977 4.581 0.021 9 0 "[ . 1 . 2]" 1
1054 1 52 ASP HB3 1 53 GLU QG . . 4.760 3.715 3.117 4.797 0.037 5 0 "[ . 1 . 2]" 1
1055 1 53 GLU H 1 53 GLU HB2 . . 3.930 2.756 2.642 3.031 . 0 0 "[ . 1 . 2]" 1
1056 1 53 GLU H 1 53 GLU QB . . 3.250 2.694 2.593 2.927 . 0 0 "[ . 1 . 2]" 1
1057 1 53 GLU H 1 53 GLU HB3 . . 3.930 3.809 3.725 3.918 . 0 0 "[ . 1 . 2]" 1
1058 1 53 GLU H 1 53 GLU QG . . 3.600 3.270 2.348 3.591 . 0 0 "[ . 1 . 2]" 1
1059 1 53 GLU H 1 54 GLU HB2 . . 5.500 4.937 4.722 5.372 . 0 0 "[ . 1 . 2]" 1
1060 1 53 GLU QB 1 54 GLU H . . 3.590 3.086 2.383 3.465 . 0 0 "[ . 1 . 2]" 1
1061 1 53 GLU QB 1 55 TRP HE3 . . 4.860 2.830 2.538 3.117 . 0 0 "[ . 1 . 2]" 1
1062 1 53 GLU HB2 1 55 TRP HZ3 . . 4.560 3.240 2.352 3.758 . 0 0 "[ . 1 . 2]" 1
1063 1 53 GLU HB3 1 55 TRP HZ3 . . 4.560 3.150 2.363 4.139 . 0 0 "[ . 1 . 2]" 1
1064 1 53 GLU QG 1 54 GLU H . . 4.570 4.234 3.986 4.614 0.044 5 0 "[ . 1 . 2]" 1
1065 1 53 GLU QG 1 55 TRP HE3 . . 4.830 4.664 4.200 4.860 0.030 5 0 "[ . 1 . 2]" 1
1066 1 53 GLU QG 1 55 TRP HZ3 . . 4.590 4.379 3.940 4.601 0.011 6 0 "[ . 1 . 2]" 1
1067 1 54 GLU H 1 54 GLU HB2 . . 3.930 3.435 3.249 3.701 . 0 0 "[ . 1 . 2]" 1
1068 1 54 GLU H 1 54 GLU HB3 . . 4.100 2.629 2.416 2.882 . 0 0 "[ . 1 . 2]" 1
1069 1 54 GLU H 1 54 GLU HG2 . . 4.330 4.277 4.101 4.396 0.066 15 0 "[ . 1 . 2]" 1
1070 1 54 GLU H 1 54 GLU HG3 . . 5.000 4.889 4.730 5.043 0.043 9 0 "[ . 1 . 2]" 1
1071 1 54 GLU H 1 55 TRP H . . 4.720 4.190 3.925 4.351 . 0 0 "[ . 1 . 2]" 1
1072 1 54 GLU HA 1 54 GLU HG2 . . 3.880 2.957 2.823 3.262 . 0 0 "[ . 1 . 2]" 1
1073 1 54 GLU HA 1 54 GLU HG3 . . 4.180 3.215 2.855 3.737 . 0 0 "[ . 1 . 2]" 1
1074 1 54 GLU HA 1 55 TRP H . . 2.990 2.145 2.138 2.159 . 0 0 "[ . 1 . 2]" 1
1075 1 54 GLU HA 1 55 TRP HE3 . . 4.380 3.757 3.549 4.147 . 0 0 "[ . 1 . 2]" 1
1076 1 54 GLU HB2 1 55 TRP H . . 4.590 4.107 3.900 4.276 . 0 0 "[ . 1 . 2]" 1
1077 1 54 GLU HB3 1 55 TRP H . . 4.970 4.400 4.285 4.484 . 0 0 "[ . 1 . 2]" 1
1078 1 54 GLU HG2 1 55 TRP H . . 4.090 2.991 2.667 3.567 . 0 0 "[ . 1 . 2]" 1
1079 1 54 GLU HG2 1 55 TRP HA . . 5.500 3.398 3.243 3.569 . 0 0 "[ . 1 . 2]" 1
1080 1 54 GLU HG3 1 55 TRP H . . 4.470 3.886 3.327 4.494 0.024 9 0 "[ . 1 . 2]" 1
1081 1 55 TRP H 1 55 TRP HE3 . . 4.040 3.287 3.010 3.684 . 0 0 "[ . 1 . 2]" 1
1082 1 55 TRP H 1 56 HIS H . . 5.200 4.353 4.250 4.450 . 0 0 "[ . 1 . 2]" 1
1083 1 55 TRP HA 1 55 TRP HD1 . . 4.280 4.193 4.019 4.280 . 0 0 "[ . 1 . 2]" 1
1084 1 55 TRP HA 1 55 TRP HE3 . . 4.940 4.555 4.459 4.745 . 0 0 "[ . 1 . 2]" 1
1085 1 55 TRP HA 1 56 HIS H . . 3.100 2.247 2.157 2.361 . 0 0 "[ . 1 . 2]" 1
1086 1 55 TRP HA 1 56 HIS HD2 . . 4.100 3.842 3.702 4.099 . 0 0 "[ . 1 . 2]" 1
1087 1 55 TRP HB2 1 55 TRP HD1 . . 3.690 2.739 2.687 2.826 . 0 0 "[ . 1 . 2]" 1
1088 1 55 TRP HB2 1 56 HIS H . . 3.370 2.926 2.595 3.281 . 0 0 "[ . 1 . 2]" 1
1089 1 55 TRP HB3 1 55 TRP HE3 . . 4.120 2.491 2.431 2.545 . 0 0 "[ . 1 . 2]" 1
1090 1 55 TRP HB3 1 56 HIS H . . 4.310 4.125 3.934 4.291 . 0 0 "[ . 1 . 2]" 1
1091 1 55 TRP HD1 1 56 HIS H . . 4.280 3.585 3.290 4.122 . 0 0 "[ . 1 . 2]" 1
1092 1 55 TRP HD1 1 56 HIS HA . . 4.820 3.408 3.020 3.849 . 0 0 "[ . 1 . 2]" 1
1093 1 55 TRP HD1 1 57 GLN QB . . 3.670 3.459 3.023 3.642 . 0 0 "[ . 1 . 2]" 1
1094 1 55 TRP HD1 1 57 GLN QG . . 3.840 3.338 2.868 3.736 . 0 0 "[ . 1 . 2]" 1
1095 1 55 TRP HE1 1 57 GLN QB . . 4.970 4.700 4.064 4.974 0.004 5 0 "[ . 1 . 2]" 1
1096 1 55 TRP HE1 1 57 GLN QG . . 4.020 3.699 3.154 3.990 . 0 0 "[ . 1 . 2]" 1
1097 1 55 TRP HE1 1 66 LEU QD . . 3.910 2.388 1.991 2.825 . 0 0 "[ . 1 . 2]" 1
1098 1 55 TRP HH2 1 66 LEU QD . . 4.960 4.223 3.839 4.549 . 0 0 "[ . 1 . 2]" 1
1099 1 55 TRP HH2 1 69 LEU MD2 . . 3.290 2.417 1.885 2.746 . 0 0 "[ . 1 . 2]" 1
1100 1 55 TRP HZ2 1 66 LEU HB3 . . 4.610 3.255 2.715 3.804 . 0 0 "[ . 1 . 2]" 1
1101 1 55 TRP HZ2 1 66 LEU MD1 . . 4.130 3.150 2.787 3.701 . 0 0 "[ . 1 . 2]" 1
1102 1 55 TRP HZ2 1 66 LEU QD . . 3.420 2.577 2.209 2.936 . 0 0 "[ . 1 . 2]" 1
1103 1 55 TRP HZ2 1 66 LEU MD2 . . 4.130 2.798 2.263 3.249 . 0 0 "[ . 1 . 2]" 1
1104 1 55 TRP HZ2 1 69 LEU MD2 . . 3.480 2.674 2.138 3.169 . 0 0 "[ . 1 . 2]" 1
1105 1 55 TRP HZ3 1 69 LEU MD2 . . 4.560 4.226 3.566 4.570 0.010 20 0 "[ . 1 . 2]" 1
1106 1 56 HIS H 1 56 HIS HB2 . . 3.880 3.740 3.648 3.872 . 0 0 "[ . 1 . 2]" 1
1107 1 56 HIS H 1 56 HIS HD2 . . 4.440 1.968 1.906 2.149 . 0 0 "[ . 1 . 2]" 1
1108 1 56 HIS H 1 57 GLN H . . 4.840 4.434 4.331 4.531 . 0 0 "[ . 1 . 2]" 1
1109 1 56 HIS HA 1 56 HIS HD2 . . 4.260 4.009 3.970 4.085 . 0 0 "[ . 1 . 2]" 1
1110 1 56 HIS HA 1 57 GLN H . . 3.050 2.260 2.174 2.363 . 0 0 "[ . 1 . 2]" 1
1111 1 56 HIS HA 1 57 GLN QB . . 4.780 4.296 4.198 4.381 . 0 0 "[ . 1 . 2]" 1
1112 1 56 HIS HA 1 57 GLN QG . . 4.620 3.596 3.462 3.855 . 0 0 "[ . 1 . 2]" 1
1113 1 56 HIS HB2 1 57 GLN H . . 3.580 2.865 2.537 3.204 . 0 0 "[ . 1 . 2]" 1
1114 1 56 HIS HD2 1 57 GLN QB . . 5.090 4.967 4.763 5.091 0.001 9 0 "[ . 1 . 2]" 1
1115 1 57 GLN H 1 57 GLN QB . . 3.710 3.178 3.064 3.268 . 0 0 "[ . 1 . 2]" 1
1116 1 57 GLN H 1 57 GLN QG . . 3.730 2.419 2.258 2.587 . 0 0 "[ . 1 . 2]" 1
1117 1 57 GLN H 1 58 MET H . . 4.340 4.150 3.944 4.279 . 0 0 "[ . 1 . 2]" 1
1118 1 57 GLN HA 1 57 GLN QG . . 3.810 3.335 3.327 3.339 . 0 0 "[ . 1 . 2]" 1
1119 1 57 GLN HA 1 58 MET H . . 2.890 2.153 2.139 2.183 . 0 0 "[ . 1 . 2]" 1
1120 1 57 GLN HA 1 58 MET QB . . 4.680 4.054 4.001 4.093 . 0 0 "[ . 1 . 2]" 1
1121 1 57 GLN QB 1 58 MET H . . 3.830 3.212 3.013 3.443 . 0 0 "[ . 1 . 2]" 1
1122 1 57 GLN QB 1 59 VAL MG1 . . 4.500 3.600 3.363 3.918 . 0 0 "[ . 1 . 2]" 1
1123 1 57 GLN QB 1 66 LEU QD . . 4.990 4.670 4.279 4.993 0.003 14 0 "[ . 1 . 2]" 1
1124 1 57 GLN QE 1 66 LEU QD . . 3.730 2.890 2.116 3.716 . 0 0 "[ . 1 . 2]" 1
1125 1 57 GLN HE21 1 59 VAL MG1 . . 4.170 2.802 1.862 4.050 . 0 0 "[ . 1 . 2]" 1
1126 1 57 GLN HE21 1 64 VAL MG2 . . 3.950 2.570 1.781 3.625 . 0 0 "[ . 1 . 2]" 1
1127 1 57 GLN HE22 1 59 VAL MG1 . . 4.170 3.723 2.649 4.174 0.004 17 0 "[ . 1 . 2]" 1
1128 1 57 GLN HE22 1 64 VAL MG2 . . 3.950 2.823 2.245 3.478 . 0 0 "[ . 1 . 2]" 1
1129 1 57 GLN QG 1 58 MET H . . 4.310 4.175 3.893 4.318 0.008 5 0 "[ . 1 . 2]" 1
1130 1 57 GLN QG 1 58 MET HA . . 5.420 4.457 4.192 4.633 . 0 0 "[ . 1 . 2]" 1
1131 1 57 GLN QG 1 59 VAL MG1 . . 4.090 2.746 2.507 3.084 . 0 0 "[ . 1 . 2]" 1
1132 1 57 GLN QG 1 64 VAL MG2 . . 4.420 3.204 2.889 3.431 . 0 0 "[ . 1 . 2]" 1
1133 1 57 GLN QG 1 66 LEU QD . . 4.370 3.462 3.079 3.697 . 0 0 "[ . 1 . 2]" 1
1134 1 58 MET H 1 58 MET QB . . 3.090 2.250 2.185 2.283 . 0 0 "[ . 1 . 2]" 1
1135 1 58 MET H 1 58 MET ME . . 5.500 5.117 4.242 5.510 0.010 9 0 "[ . 1 . 2]" 1
1136 1 58 MET H 1 58 MET HG2 . . 4.670 4.492 4.440 4.549 . 0 0 "[ . 1 . 2]" 1
1137 1 58 MET H 1 58 MET HG3 . . 4.840 4.470 4.212 4.675 . 0 0 "[ . 1 . 2]" 1
1138 1 58 MET H 1 59 VAL H . . 4.610 4.519 4.447 4.580 . 0 0 "[ . 1 . 2]" 1
1139 1 58 MET HA 1 58 MET HG2 . . 4.160 2.635 2.411 2.871 . 0 0 "[ . 1 . 2]" 1
1140 1 58 MET HA 1 58 MET HG3 . . 4.140 2.977 2.443 3.638 . 0 0 "[ . 1 . 2]" 1
1141 1 58 MET HA 1 59 VAL H . . 2.970 2.156 2.141 2.195 . 0 0 "[ . 1 . 2]" 1
1142 1 58 MET HA 1 59 VAL MG1 . . 4.830 3.842 3.707 3.948 . 0 0 "[ . 1 . 2]" 1
1143 1 58 MET HA 1 59 VAL MG2 . . 4.280 3.718 3.620 3.809 . 0 0 "[ . 1 . 2]" 1
1144 1 58 MET HA 1 82 LEU QD . . 4.810 4.482 4.104 4.799 . 0 0 "[ . 1 . 2]" 1
1145 1 58 MET QB 1 59 VAL H . . 3.810 3.725 3.604 3.813 0.003 5 0 "[ . 1 . 2]" 1
1146 1 58 MET QB 1 82 LEU QD . . 4.550 3.949 3.244 4.558 0.008 14 0 "[ . 1 . 2]" 1
1147 1 58 MET ME 1 58 MET HG3 . . 3.980 2.858 1.995 3.368 . 0 0 "[ . 1 . 2]" 1
1148 1 58 MET ME 1 59 VAL HA . . 5.190 4.606 3.205 5.191 0.001 19 0 "[ . 1 . 2]" 1
1149 1 58 MET ME 1 60 LEU MD2 . . 3.810 2.324 1.758 2.936 . 0 0 "[ . 1 . 2]" 1
1150 1 58 MET ME 1 82 LEU QD . . 3.680 3.444 2.898 3.686 0.006 9 0 "[ . 1 . 2]" 1
1151 1 58 MET HG2 1 59 VAL H . . 4.270 2.806 2.465 3.282 . 0 0 "[ . 1 . 2]" 1
1152 1 58 MET HG2 1 59 VAL HA . . 4.610 4.422 3.960 4.620 0.010 17 0 "[ . 1 . 2]" 1
1153 1 58 MET HG2 1 60 LEU MD2 . . 4.760 4.253 3.759 4.704 . 0 0 "[ . 1 . 2]" 1
1154 1 58 MET HG2 1 82 LEU QD . . 3.840 3.350 2.635 3.853 0.013 13 0 "[ . 1 . 2]" 1
1155 1 58 MET HG3 1 59 VAL H . . 4.360 3.941 3.487 4.354 . 0 0 "[ . 1 . 2]" 1
1156 1 58 MET HG3 1 82 LEU QD . . 3.750 2.754 2.398 3.180 . 0 0 "[ . 1 . 2]" 1
1157 1 59 VAL H 1 59 VAL MG1 . . 3.840 2.923 2.805 3.061 . 0 0 "[ . 1 . 2]" 1
1158 1 59 VAL H 1 59 VAL MG2 . . 3.300 2.005 1.876 2.234 . 0 0 "[ . 1 . 2]" 1
1159 1 59 VAL HA 1 59 VAL MG1 . . 3.090 2.255 2.196 2.374 . 0 0 "[ . 1 . 2]" 1
1160 1 59 VAL HA 1 60 LEU H . . 3.020 2.239 2.188 2.348 . 0 0 "[ . 1 . 2]" 1
1161 1 59 VAL HA 1 60 LEU MD2 . . 4.710 4.576 4.233 4.715 0.005 9 0 "[ . 1 . 2]" 1
1162 1 59 VAL HA 1 60 LEU HG . . 4.320 3.616 3.468 3.821 . 0 0 "[ . 1 . 2]" 1
1163 1 59 VAL HB 1 60 LEU H . . 3.360 2.845 2.516 3.030 . 0 0 "[ . 1 . 2]" 1
1164 1 59 VAL HB 1 60 LEU QB . . 5.340 4.832 4.570 5.021 . 0 0 "[ . 1 . 2]" 1
1165 1 59 VAL HB 1 60 LEU HG . . 5.500 5.163 4.958 5.348 . 0 0 "[ . 1 . 2]" 1
1166 1 59 VAL HB 1 61 GLU H . . 3.440 2.679 2.413 2.932 . 0 0 "[ . 1 . 2]" 1
1167 1 59 VAL HB 1 61 GLU QG . . 3.570 2.802 2.408 3.118 . 0 0 "[ . 1 . 2]" 1
1168 1 59 VAL HB 1 64 VAL MG2 . . 4.490 4.300 4.055 4.482 . 0 0 "[ . 1 . 2]" 1
1169 1 59 VAL MG1 1 60 LEU H . . 3.940 3.810 3.691 3.892 . 0 0 "[ . 1 . 2]" 1
1170 1 59 VAL MG1 1 60 LEU HG . . 5.500 5.331 5.210 5.498 . 0 0 "[ . 1 . 2]" 1
1171 1 59 VAL MG1 1 61 GLU H . . 4.590 4.251 4.069 4.444 . 0 0 "[ . 1 . 2]" 1
1172 1 59 VAL MG1 1 63 ARG H . . 5.500 5.451 5.327 5.518 0.018 9 0 "[ . 1 . 2]" 1
1173 1 59 VAL MG1 1 64 VAL HA . . 3.900 3.266 2.952 3.549 . 0 0 "[ . 1 . 2]" 1
1174 1 59 VAL MG1 1 64 VAL HB . . 3.330 2.815 2.414 3.282 . 0 0 "[ . 1 . 2]" 1
1175 1 59 VAL MG1 1 64 VAL MG2 . . 2.930 2.255 1.965 2.468 . 0 0 "[ . 1 . 2]" 1
1176 1 59 VAL MG2 1 60 LEU H . . 4.710 3.786 3.552 3.927 . 0 0 "[ . 1 . 2]" 1
1177 1 59 VAL MG2 1 61 GLU H . . 3.780 3.266 2.425 3.629 . 0 0 "[ . 1 . 2]" 1
1178 1 59 VAL MG2 1 62 PRO HA . . 4.580 4.059 3.661 4.280 . 0 0 "[ . 1 . 2]" 1
1179 1 59 VAL MG2 1 63 ARG H . . 4.410 4.164 3.988 4.400 . 0 0 "[ . 1 . 2]" 1
1180 1 59 VAL MG2 1 64 VAL HA . . 4.590 4.283 4.019 4.511 . 0 0 "[ . 1 . 2]" 1
1181 1 59 VAL MG2 1 64 VAL HB . . 3.800 2.931 2.626 3.151 . 0 0 "[ . 1 . 2]" 1
1182 1 59 VAL MG2 1 64 VAL MG1 . . 4.060 3.936 3.744 4.068 0.008 12 0 "[ . 1 . 2]" 1
1183 1 59 VAL MG2 1 79 VAL MG2 . . 4.380 2.978 2.773 3.141 . 0 0 "[ . 1 . 2]" 1
1184 1 60 LEU H 1 60 LEU HB2 . . 3.700 2.534 2.422 2.613 . 0 0 "[ . 1 . 2]" 1
1185 1 60 LEU H 1 60 LEU QB . . 3.180 2.489 2.388 2.561 . 0 0 "[ . 1 . 2]" 1
1186 1 60 LEU H 1 60 LEU HB3 . . 3.700 3.645 3.610 3.684 . 0 0 "[ . 1 . 2]" 1
1187 1 60 LEU H 1 60 LEU MD1 . . 4.330 3.502 3.288 3.791 . 0 0 "[ . 1 . 2]" 1
1188 1 60 LEU H 1 60 LEU MD2 . . 4.110 3.665 3.408 3.837 . 0 0 "[ . 1 . 2]" 1
1189 1 60 LEU H 1 60 LEU HG . . 3.510 2.434 2.238 2.765 . 0 0 "[ . 1 . 2]" 1
1190 1 60 LEU H 1 61 GLU H . . 3.240 2.380 2.113 2.668 . 0 0 "[ . 1 . 2]" 1
1191 1 60 LEU QB 1 60 LEU MD1 . . 2.900 2.024 1.964 2.089 . 0 0 "[ . 1 . 2]" 1
1192 1 60 LEU QB 1 60 LEU MD2 . . 3.180 2.176 2.004 2.303 . 0 0 "[ . 1 . 2]" 1
1193 1 60 LEU QB 1 61 GLU H . . 3.710 3.085 2.692 3.692 . 0 0 "[ . 1 . 2]" 1
1194 1 60 LEU HB2 1 60 LEU MD1 . . 3.650 2.125 2.032 2.267 . 0 0 "[ . 1 . 2]" 1
1195 1 60 LEU HB3 1 60 LEU MD1 . . 3.650 2.565 2.434 2.681 . 0 0 "[ . 1 . 2]" 1
1196 1 60 LEU MD1 1 61 GLU H . . 5.160 4.750 4.326 5.160 0.000 2 0 "[ . 1 . 2]" 1
1197 1 60 LEU MD2 1 61 GLU H . . 5.500 4.837 4.702 5.002 . 0 0 "[ . 1 . 2]" 1
1198 1 60 LEU HG 1 61 GLU H . . 4.760 4.431 4.171 4.641 . 0 0 "[ . 1 . 2]" 1
1199 1 61 GLU H 1 61 GLU HB2 . . 4.160 3.711 3.598 3.895 . 0 0 "[ . 1 . 2]" 1
1200 1 61 GLU H 1 61 GLU QB . . 3.390 2.886 2.673 3.234 . 0 0 "[ . 1 . 2]" 1
1201 1 61 GLU H 1 61 GLU HB3 . . 4.160 3.017 2.749 3.465 . 0 0 "[ . 1 . 2]" 1
1202 1 61 GLU H 1 61 GLU HG2 . . 4.110 2.371 1.889 2.851 . 0 0 "[ . 1 . 2]" 1
1203 1 61 GLU H 1 61 GLU QG . . 3.450 2.339 1.879 2.800 . 0 0 "[ . 1 . 2]" 1
1204 1 61 GLU H 1 61 GLU HG3 . . 4.110 3.629 3.034 4.084 . 0 0 "[ . 1 . 2]" 1
1205 1 61 GLU H 1 62 PRO HD2 . . 5.370 4.805 4.787 4.820 . 0 0 "[ . 1 . 2]" 1
1206 1 61 GLU H 1 62 PRO HD3 . . 5.500 4.991 4.826 5.063 . 0 0 "[ . 1 . 2]" 1
1207 1 61 GLU HA 1 62 PRO HD2 . . 3.370 2.382 2.327 2.417 . 0 0 "[ . 1 . 2]" 1
1208 1 61 GLU HA 1 62 PRO HD3 . . 3.910 2.291 2.274 2.304 . 0 0 "[ . 1 . 2]" 1
1209 1 61 GLU QB 1 61 GLU QG . . 2.260 2.035 2.014 2.086 . 0 0 "[ . 1 . 2]" 1
1210 1 61 GLU QB 1 62 PRO HD2 . . 3.130 2.019 1.966 2.102 . 0 0 "[ . 1 . 2]" 1
1211 1 61 GLU QB 1 63 ARG H . . 4.110 2.557 2.408 2.727 . 0 0 "[ . 1 . 2]" 1
1212 1 61 GLU QB 1 63 ARG QG . . 3.970 2.345 2.169 2.543 . 0 0 "[ . 1 . 2]" 1
1213 1 61 GLU HB2 1 62 PRO HD2 . . 3.660 2.039 1.980 2.122 . 0 0 "[ . 1 . 2]" 1
1214 1 61 GLU HB2 1 63 ARG H . . 4.740 2.585 2.426 2.769 . 0 0 "[ . 1 . 2]" 1
1215 1 61 GLU HB3 1 62 PRO HD2 . . 3.660 3.266 3.114 3.431 . 0 0 "[ . 1 . 2]" 1
1216 1 61 GLU HB3 1 63 ARG H . . 4.740 4.066 4.030 4.091 . 0 0 "[ . 1 . 2]" 1
1217 1 61 GLU QG 1 62 PRO HD2 . . 4.210 3.768 3.610 3.885 . 0 0 "[ . 1 . 2]" 1
1218 1 61 GLU QG 1 63 ARG H . . 3.710 2.343 1.985 2.683 . 0 0 "[ . 1 . 2]" 1
1219 1 61 GLU QG 1 63 ARG QG . . 3.870 2.154 1.848 2.472 . 0 0 "[ . 1 . 2]" 1
1220 1 61 GLU HG2 1 62 PRO HD2 . . 4.920 4.378 4.132 4.791 . 0 0 "[ . 1 . 2]" 1
1221 1 61 GLU HG2 1 63 ARG H . . 4.400 2.898 2.365 3.829 . 0 0 "[ . 1 . 2]" 1
1222 1 61 GLU HG3 1 62 PRO HD2 . . 4.920 4.153 3.792 4.373 . 0 0 "[ . 1 . 2]" 1
1223 1 61 GLU HG3 1 63 ARG H . . 4.400 2.791 2.007 3.329 . 0 0 "[ . 1 . 2]" 1
1224 1 62 PRO HA 1 63 ARG H . . 3.350 3.289 3.255 3.306 . 0 0 "[ . 1 . 2]" 1
1225 1 62 PRO HA 1 63 ARG HA . . 4.780 4.501 4.479 4.527 . 0 0 "[ . 1 . 2]" 1
1226 1 62 PRO HD2 1 63 ARG H . . 4.810 3.049 3.010 3.127 . 0 0 "[ . 1 . 2]" 1
1227 1 62 PRO QG 1 63 ARG H . . 4.320 3.300 3.250 3.395 . 0 0 "[ . 1 . 2]" 1
1228 1 63 ARG H 1 63 ARG QB . . 3.660 2.975 2.858 3.068 . 0 0 "[ . 1 . 2]" 1
1229 1 63 ARG H 1 63 ARG HG2 . . 4.310 2.371 1.966 3.619 . 0 0 "[ . 1 . 2]" 1
1230 1 63 ARG H 1 63 ARG QG . . 3.750 2.114 1.953 2.435 . 0 0 "[ . 1 . 2]" 1
1231 1 63 ARG H 1 63 ARG HG3 . . 4.310 3.155 2.002 3.689 . 0 0 "[ . 1 . 2]" 1
1232 1 63 ARG H 1 64 VAL H . . 4.520 4.390 4.256 4.496 . 0 0 "[ . 1 . 2]" 1
1233 1 63 ARG HA 1 63 ARG QG . . 3.700 3.354 3.333 3.432 . 0 0 "[ . 1 . 2]" 1
1234 1 63 ARG HA 1 64 VAL H . . 3.150 2.276 2.140 2.627 . 0 0 "[ . 1 . 2]" 1
1235 1 63 ARG HA 1 64 VAL MG1 . . 4.510 3.682 3.446 3.836 . 0 0 "[ . 1 . 2]" 1
1236 1 63 ARG QB 1 63 ARG QD . . 3.190 2.179 2.041 2.379 . 0 0 "[ . 1 . 2]" 1
1237 1 63 ARG QB 1 64 VAL H . . 3.560 2.817 1.990 3.362 . 0 0 "[ . 1 . 2]" 1
1238 1 63 ARG HB2 1 64 VAL H . . 4.290 2.887 2.001 3.507 . 0 0 "[ . 1 . 2]" 1
1239 1 63 ARG HB3 1 64 VAL H . . 4.290 4.019 3.510 4.313 0.023 17 0 "[ . 1 . 2]" 1
1240 1 63 ARG QG 1 64 VAL H . . 4.290 3.896 3.239 4.264 . 0 0 "[ . 1 . 2]" 1
1241 1 63 ARG QG 1 64 VAL HA . . 4.680 4.004 3.456 4.558 . 0 0 "[ . 1 . 2]" 1
1242 1 63 ARG HG2 1 64 VAL H . . 5.140 4.758 4.182 5.127 . 0 0 "[ . 1 . 2]" 1
1243 1 63 ARG HG3 1 64 VAL H . . 5.140 4.157 3.374 4.604 . 0 0 "[ . 1 . 2]" 1
1244 1 64 VAL H 1 64 VAL MG1 . . 3.490 2.209 1.890 2.453 . 0 0 "[ . 1 . 2]" 1
1245 1 64 VAL H 1 64 VAL MG2 . . 4.570 3.919 3.835 4.016 . 0 0 "[ . 1 . 2]" 1
1246 1 64 VAL H 1 65 LEU H . . 4.680 4.345 4.171 4.534 . 0 0 "[ . 1 . 2]" 1
1247 1 64 VAL HA 1 64 VAL MG2 . . 3.090 2.372 2.225 2.445 . 0 0 "[ . 1 . 2]" 1
1248 1 64 VAL HA 1 65 LEU H . . 2.860 2.198 2.154 2.306 . 0 0 "[ . 1 . 2]" 1
1249 1 64 VAL HA 1 65 LEU HB2 . . 4.760 4.210 4.066 4.326 . 0 0 "[ . 1 . 2]" 1
1250 1 64 VAL HA 1 65 LEU HB3 . . 5.000 4.834 4.736 4.948 . 0 0 "[ . 1 . 2]" 1
1251 1 64 VAL HB 1 65 LEU H . . 4.300 4.095 3.920 4.248 . 0 0 "[ . 1 . 2]" 1
1252 1 64 VAL MG1 1 65 LEU H . . 4.360 3.836 3.540 3.968 . 0 0 "[ . 1 . 2]" 1
1253 1 64 VAL MG1 1 65 LEU HA . . 4.480 3.958 3.752 4.134 . 0 0 "[ . 1 . 2]" 1
1254 1 64 VAL MG1 1 66 LEU H . . 4.310 4.122 3.917 4.301 . 0 0 "[ . 1 . 2]" 1
1255 1 64 VAL MG1 1 66 LEU HG . . 3.610 2.954 2.646 3.189 . 0 0 "[ . 1 . 2]" 1
1256 1 64 VAL MG2 1 65 LEU H . . 3.130 2.240 1.962 2.616 . 0 0 "[ . 1 . 2]" 1
1257 1 64 VAL MG2 1 65 LEU HA . . 4.160 3.706 3.627 3.871 . 0 0 "[ . 1 . 2]" 1
1258 1 64 VAL MG2 1 65 LEU HB3 . . 4.650 4.390 4.230 4.626 . 0 0 "[ . 1 . 2]" 1
1259 1 64 VAL MG2 1 66 LEU H . . 4.610 3.837 3.607 4.004 . 0 0 "[ . 1 . 2]" 1
1260 1 64 VAL MG2 1 66 LEU HG . . 3.840 2.735 2.372 3.028 . 0 0 "[ . 1 . 2]" 1
1261 1 65 LEU H 1 65 LEU HB2 . . 3.460 2.723 2.576 2.824 . 0 0 "[ . 1 . 2]" 1
1262 1 65 LEU H 1 65 LEU HB3 . . 3.400 2.787 2.695 2.921 . 0 0 "[ . 1 . 2]" 1
1263 1 65 LEU H 1 65 LEU MD1 . . 4.400 4.174 4.076 4.266 . 0 0 "[ . 1 . 2]" 1
1264 1 65 LEU H 1 65 LEU MD2 . . 4.400 4.075 3.899 4.219 . 0 0 "[ . 1 . 2]" 1
1265 1 65 LEU H 1 65 LEU HG . . 4.940 4.832 4.760 4.905 . 0 0 "[ . 1 . 2]" 1
1266 1 65 LEU H 1 66 LEU HG . . 5.500 4.566 4.293 4.779 . 0 0 "[ . 1 . 2]" 1
1267 1 65 LEU HA 1 65 LEU MD1 . . 4.070 2.675 2.326 2.911 . 0 0 "[ . 1 . 2]" 1
1268 1 65 LEU HA 1 65 LEU QD . . 2.950 1.969 1.884 2.044 . 0 0 "[ . 1 . 2]" 1
1269 1 65 LEU HA 1 65 LEU MD2 . . 4.070 2.038 1.909 2.196 . 0 0 "[ . 1 . 2]" 1
1270 1 65 LEU HA 1 65 LEU HG . . 3.930 3.705 3.633 3.771 . 0 0 "[ . 1 . 2]" 1
1271 1 65 LEU HA 1 66 LEU H . . 3.040 2.151 2.143 2.172 . 0 0 "[ . 1 . 2]" 1
1272 1 65 LEU HA 1 66 LEU HB2 . . 4.770 4.691 4.605 4.737 . 0 0 "[ . 1 . 2]" 1
1273 1 65 LEU HA 1 66 LEU QD . . 4.860 4.347 4.276 4.453 . 0 0 "[ . 1 . 2]" 1
1274 1 65 LEU HB2 1 65 LEU QD . . 2.980 2.269 2.188 2.348 . 0 0 "[ . 1 . 2]" 1
1275 1 65 LEU HB2 1 66 LEU H . . 4.520 4.510 4.450 4.578 0.058 15 0 "[ . 1 . 2]" 1
1276 1 65 LEU HB3 1 65 LEU QD . . 2.920 2.264 2.139 2.423 . 0 0 "[ . 1 . 2]" 1
1277 1 65 LEU HB3 1 66 LEU H . . 4.650 4.209 4.107 4.272 . 0 0 "[ . 1 . 2]" 1
1278 1 65 LEU HB3 1 67 THR MG . . 4.090 3.939 3.768 4.078 . 0 0 "[ . 1 . 2]" 1
1279 1 65 LEU QD 1 66 LEU H . . 3.250 2.504 2.211 2.723 . 0 0 "[ . 1 . 2]" 1
1280 1 65 LEU QD 1 67 THR HB . . 4.710 4.199 3.970 4.374 . 0 0 "[ . 1 . 2]" 1
1281 1 65 LEU QD 1 67 THR MG . . 3.030 1.846 1.745 1.981 . 0 0 "[ . 1 . 2]" 1
1282 1 65 LEU MD1 1 66 LEU H . . 3.790 2.642 2.232 3.062 . 0 0 "[ . 1 . 2]" 1
1283 1 65 LEU MD2 1 66 LEU H . . 3.790 3.215 2.944 3.583 . 0 0 "[ . 1 . 2]" 1
1284 1 65 LEU HG 1 66 LEU H . . 5.290 5.041 4.925 5.192 . 0 0 "[ . 1 . 2]" 1
1285 1 66 LEU H 1 66 LEU HB2 . . 3.570 2.560 2.519 2.613 . 0 0 "[ . 1 . 2]" 1
1286 1 66 LEU H 1 66 LEU HB3 . . 3.880 3.676 3.656 3.706 . 0 0 "[ . 1 . 2]" 1
1287 1 66 LEU H 1 66 LEU MD1 . . 4.400 3.592 3.328 3.804 . 0 0 "[ . 1 . 2]" 1
1288 1 66 LEU H 1 66 LEU QD . . 3.740 3.235 3.139 3.406 . 0 0 "[ . 1 . 2]" 1
1289 1 66 LEU H 1 66 LEU MD2 . . 4.400 3.694 3.507 3.897 . 0 0 "[ . 1 . 2]" 1
1290 1 66 LEU H 1 66 LEU HG . . 3.690 2.516 2.368 2.828 . 0 0 "[ . 1 . 2]" 1
1291 1 66 LEU H 1 67 THR H . . 4.690 4.476 4.349 4.548 . 0 0 "[ . 1 . 2]" 1
1292 1 66 LEU H 1 67 THR MG . . 4.820 4.252 4.025 4.487 . 0 0 "[ . 1 . 2]" 1
1293 1 66 LEU H 1 69 LEU MD1 . . 4.670 4.316 4.007 4.677 0.007 6 0 "[ . 1 . 2]" 1
1294 1 66 LEU HA 1 66 LEU MD1 . . 4.280 3.937 3.902 3.971 . 0 0 "[ . 1 . 2]" 1
1295 1 66 LEU HA 1 66 LEU QD . . 3.660 2.218 2.031 2.391 . 0 0 "[ . 1 . 2]" 1
1296 1 66 LEU HA 1 66 LEU MD2 . . 4.280 2.231 2.037 2.412 . 0 0 "[ . 1 . 2]" 1
1297 1 66 LEU HA 1 67 THR H . . 2.850 2.168 2.139 2.218 . 0 0 "[ . 1 . 2]" 1
1298 1 66 LEU HB2 1 66 LEU MD1 . . 3.600 2.222 2.046 2.333 . 0 0 "[ . 1 . 2]" 1
1299 1 66 LEU HB2 1 66 LEU QD . . 3.080 2.180 2.021 2.278 . 0 0 "[ . 1 . 2]" 1
1300 1 66 LEU HB2 1 66 LEU MD2 . . 3.600 3.170 3.141 3.190 . 0 0 "[ . 1 . 2]" 1
1301 1 66 LEU HB2 1 67 THR H . . 4.480 4.073 3.921 4.280 . 0 0 "[ . 1 . 2]" 1
1302 1 66 LEU HB2 1 69 LEU MD1 . . 3.580 2.412 1.986 2.846 . 0 0 "[ . 1 . 2]" 1
1303 1 66 LEU HB2 1 69 LEU MD2 . . 3.830 3.363 3.019 3.778 . 0 0 "[ . 1 . 2]" 1
1304 1 66 LEU HB2 1 69 LEU HG . . 5.290 4.206 3.935 4.648 . 0 0 "[ . 1 . 2]" 1
1305 1 66 LEU HB3 1 66 LEU MD1 . . 3.560 2.492 2.380 2.654 . 0 0 "[ . 1 . 2]" 1
1306 1 66 LEU HB3 1 66 LEU QD . . 2.990 2.091 2.018 2.133 . 0 0 "[ . 1 . 2]" 1
1307 1 66 LEU HB3 1 66 LEU MD2 . . 3.560 2.253 2.136 2.378 . 0 0 "[ . 1 . 2]" 1
1308 1 66 LEU HB3 1 67 THR H . . 3.880 3.187 2.932 3.491 . 0 0 "[ . 1 . 2]" 1
1309 1 66 LEU HB3 1 69 LEU MD1 . . 3.550 2.800 2.320 3.217 . 0 0 "[ . 1 . 2]" 1
1310 1 66 LEU HB3 1 69 LEU MD2 . . 3.460 2.544 2.230 2.798 . 0 0 "[ . 1 . 2]" 1
1311 1 66 LEU QD 1 67 THR H . . 3.770 3.602 3.396 3.754 . 0 0 "[ . 1 . 2]" 1
1312 1 66 LEU QD 1 69 LEU MD1 . . 3.790 3.013 2.598 3.357 . 0 0 "[ . 1 . 2]" 1
1313 1 66 LEU QD 1 69 LEU MD2 . . 3.560 3.015 2.824 3.201 . 0 0 "[ . 1 . 2]" 1
1314 1 66 LEU QD 1 75 TYR QB . . 4.940 3.737 3.481 4.036 . 0 0 "[ . 1 . 2]" 1
1315 1 66 LEU QD 1 75 TYR QD . . 5.440 4.534 4.344 4.750 . 0 0 "[ . 1 . 2]" 1
1316 1 66 LEU QD 1 77 VAL MG2 . . 3.090 2.390 2.059 2.650 . 0 0 "[ . 1 . 2]" 1
1317 1 66 LEU MD1 1 69 LEU MD2 . . 4.240 3.208 2.962 3.454 . 0 0 "[ . 1 . 2]" 1
1318 1 66 LEU MD2 1 69 LEU MD2 . . 4.240 3.704 3.473 3.979 . 0 0 "[ . 1 . 2]" 1
1319 1 67 THR H 1 67 THR HB . . 4.080 3.814 3.710 3.871 . 0 0 "[ . 1 . 2]" 1
1320 1 67 THR H 1 67 THR MG . . 3.370 2.975 2.704 3.140 . 0 0 "[ . 1 . 2]" 1
1321 1 67 THR H 1 68 LYS H . . 4.570 4.425 4.381 4.470 . 0 0 "[ . 1 . 2]" 1
1322 1 67 THR H 1 68 LYS QB . . 4.920 4.272 4.151 4.558 . 0 0 "[ . 1 . 2]" 1
1323 1 67 THR H 1 69 LEU MD2 . . 4.370 3.968 3.685 4.219 . 0 0 "[ . 1 . 2]" 1
1324 1 67 THR HA 1 67 THR MG . . 3.180 2.287 2.150 2.458 . 0 0 "[ . 1 . 2]" 1
1325 1 67 THR HA 1 68 LYS H . . 3.320 2.564 2.460 2.651 . 0 0 "[ . 1 . 2]" 1
1326 1 67 THR HA 1 69 LEU H . . 4.230 3.564 3.212 3.704 . 0 0 "[ . 1 . 2]" 1
1327 1 67 THR HB 1 68 LYS H . . 3.170 2.068 1.908 2.266 . 0 0 "[ . 1 . 2]" 1
1328 1 67 THR HB 1 68 LYS HA . . 4.210 4.113 4.003 4.207 . 0 0 "[ . 1 . 2]" 1
1329 1 67 THR HB 1 68 LYS QB . . 4.700 4.036 3.780 4.512 . 0 0 "[ . 1 . 2]" 1
1330 1 67 THR HB 1 68 LYS QG . . 3.920 3.394 2.598 3.684 . 0 0 "[ . 1 . 2]" 1
1331 1 67 THR HB 1 69 LEU H . . 4.840 4.617 4.448 4.719 . 0 0 "[ . 1 . 2]" 1
1332 1 67 THR MG 1 68 LYS H . . 3.760 3.551 3.385 3.659 . 0 0 "[ . 1 . 2]" 1
1333 1 68 LYS H 1 68 LYS HG2 . . 4.370 3.744 2.672 4.328 . 0 0 "[ . 1 . 2]" 1
1334 1 68 LYS H 1 68 LYS QG . . 3.640 2.961 2.646 3.170 . 0 0 "[ . 1 . 2]" 1
1335 1 68 LYS H 1 68 LYS HG3 . . 4.370 3.262 2.909 4.275 . 0 0 "[ . 1 . 2]" 1
1336 1 68 LYS H 1 69 LEU H . . 3.590 2.736 2.500 2.908 . 0 0 "[ . 1 . 2]" 1
1337 1 68 LYS H 1 69 LEU MD1 . . 5.120 4.871 4.562 5.073 . 0 0 "[ . 1 . 2]" 1
1338 1 68 LYS HA 1 68 LYS HD2 . . 4.710 4.446 2.601 4.686 . 0 0 "[ . 1 . 2]" 1
1339 1 68 LYS HA 1 68 LYS QD . . 4.100 3.829 2.569 4.081 . 0 0 "[ . 1 . 2]" 1
1340 1 68 LYS HA 1 68 LYS HD3 . . 4.710 4.273 2.600 4.690 . 0 0 "[ . 1 . 2]" 1
1341 1 68 LYS HA 1 68 LYS QE . . 4.490 4.275 3.640 4.490 0.000 8 0 "[ . 1 . 2]" 1
1342 1 68 LYS HA 1 68 LYS HG2 . . 3.990 2.500 2.205 3.028 . 0 0 "[ . 1 . 2]" 1
1343 1 68 LYS HA 1 68 LYS QG . . 3.410 2.331 2.160 2.936 . 0 0 "[ . 1 . 2]" 1
1344 1 68 LYS HA 1 68 LYS HG3 . . 3.990 2.948 2.436 3.945 . 0 0 "[ . 1 . 2]" 1
1345 1 68 LYS HA 1 69 LEU H . . 3.570 2.768 2.687 2.987 . 0 0 "[ . 1 . 2]" 1
1346 1 68 LYS HA 1 69 LEU HG . . 4.890 4.689 4.519 4.853 . 0 0 "[ . 1 . 2]" 1
1347 1 68 LYS QB 1 68 LYS QD . . 3.090 2.170 2.060 2.355 . 0 0 "[ . 1 . 2]" 1
1348 1 68 LYS QB 1 68 LYS QE . . 4.000 2.909 1.969 3.725 . 0 0 "[ . 1 . 2]" 1
1349 1 68 LYS QB 1 69 LEU H . . 4.410 3.861 3.763 3.892 . 0 0 "[ . 1 . 2]" 1
1350 1 68 LYS HG2 1 69 LEU H . . 5.500 5.053 4.462 5.420 . 0 0 "[ . 1 . 2]" 1
1351 1 68 LYS HG3 1 69 LEU H . . 5.500 5.182 4.907 5.561 0.061 10 0 "[ . 1 . 2]" 1
1352 1 69 LEU H 1 69 LEU HB2 . . 3.380 2.606 2.560 2.716 . 0 0 "[ . 1 . 2]" 1
1353 1 69 LEU H 1 69 LEU HB3 . . 3.730 3.690 3.619 3.721 . 0 0 "[ . 1 . 2]" 1
1354 1 69 LEU H 1 69 LEU MD1 . . 3.850 3.647 3.301 3.847 . 0 0 "[ . 1 . 2]" 1
1355 1 69 LEU H 1 69 LEU MD2 . . 3.850 3.586 3.438 3.799 . 0 0 "[ . 1 . 2]" 1
1356 1 69 LEU H 1 69 LEU HG . . 3.610 2.465 2.172 2.626 . 0 0 "[ . 1 . 2]" 1
1357 1 69 LEU HA 1 69 LEU MD1 . . 4.150 3.940 3.898 3.973 . 0 0 "[ . 1 . 2]" 1
1358 1 69 LEU HA 1 69 LEU MD2 . . 3.000 2.313 2.110 2.522 . 0 0 "[ . 1 . 2]" 1
1359 1 69 LEU HA 1 70 GLN H . . 3.480 2.540 2.392 2.650 . 0 0 "[ . 1 . 2]" 1
1360 1 69 LEU HA 1 70 GLN HA . . 4.870 4.398 4.346 4.441 . 0 0 "[ . 1 . 2]" 1
1361 1 69 LEU HA 1 70 GLN QG . . 4.650 3.754 3.480 4.548 . 0 0 "[ . 1 . 2]" 1
1362 1 69 LEU HB2 1 69 LEU MD1 . . 3.130 2.262 2.179 2.341 . 0 0 "[ . 1 . 2]" 1
1363 1 69 LEU HB2 1 70 GLN H . . 3.730 3.203 2.873 3.507 . 0 0 "[ . 1 . 2]" 1
1364 1 69 LEU HB2 1 75 TYR QE . . 4.210 4.090 3.847 4.213 0.003 15 0 "[ . 1 . 2]" 1
1365 1 69 LEU HB2 1 98 THR MG . . 4.030 3.304 3.039 3.655 . 0 0 "[ . 1 . 2]" 1
1366 1 69 LEU HB3 1 69 LEU MD1 . . 3.470 2.430 2.324 2.545 . 0 0 "[ . 1 . 2]" 1
1367 1 69 LEU HB3 1 69 LEU MD2 . . 3.480 2.225 2.066 2.345 . 0 0 "[ . 1 . 2]" 1
1368 1 69 LEU HB3 1 70 GLN H . . 3.460 2.208 2.014 2.472 . 0 0 "[ . 1 . 2]" 1
1369 1 69 LEU HB3 1 75 TYR QE . . 3.970 2.781 2.540 3.043 . 0 0 "[ . 1 . 2]" 1
1370 1 69 LEU HB3 1 98 THR MG . . 3.530 3.127 2.890 3.414 . 0 0 "[ . 1 . 2]" 1
1371 1 69 LEU MD1 1 70 GLN H . . 4.500 4.282 4.018 4.504 0.004 13 0 "[ . 1 . 2]" 1
1372 1 69 LEU MD1 1 75 TYR QD . . 4.290 3.748 3.542 4.176 . 0 0 "[ . 1 . 2]" 1
1373 1 69 LEU MD1 1 75 TYR QE . . 4.300 3.908 3.701 4.202 . 0 0 "[ . 1 . 2]" 1
1374 1 69 LEU MD1 1 98 THR MG . . 3.120 2.591 2.363 2.844 . 0 0 "[ . 1 . 2]" 1
1375 1 69 LEU MD2 1 70 GLN H . . 4.020 3.558 3.437 3.690 . 0 0 "[ . 1 . 2]" 1
1376 1 69 LEU MD2 1 75 TYR QE . . 3.880 3.087 2.630 3.543 . 0 0 "[ . 1 . 2]" 1
1377 1 69 LEU MD2 1 98 THR MG . . 4.330 4.031 3.676 4.309 . 0 0 "[ . 1 . 2]" 1
1378 1 70 GLN H 1 70 GLN HB2 . . 3.750 2.459 2.353 2.575 . 0 0 "[ . 1 . 2]" 1
1379 1 70 GLN H 1 70 GLN HB3 . . 3.900 3.659 3.581 3.731 . 0 0 "[ . 1 . 2]" 1
1380 1 70 GLN H 1 70 GLN QG . . 3.840 2.981 2.582 3.405 . 0 0 "[ . 1 . 2]" 1
1381 1 70 GLN H 1 75 TYR QE . . 3.990 2.508 2.247 2.859 . 0 0 "[ . 1 . 2]" 1
1382 1 70 GLN H 1 98 THR MG . . 4.550 3.933 3.485 4.321 . 0 0 "[ . 1 . 2]" 1
1383 1 70 GLN HA 1 70 GLN QG . . 3.930 2.627 2.258 2.972 . 0 0 "[ . 1 . 2]" 1
1384 1 70 GLN HA 1 71 PRO HD2 . . 3.280 2.223 2.176 2.258 . 0 0 "[ . 1 . 2]" 1
1385 1 70 GLN HA 1 71 PRO HD3 . . 3.130 2.255 2.252 2.259 . 0 0 "[ . 1 . 2]" 1
1386 1 70 GLN HA 1 71 PRO HG2 . . 4.570 4.370 4.333 4.397 . 0 0 "[ . 1 . 2]" 1
1387 1 70 GLN HA 1 71 PRO HG3 . . 4.550 4.378 4.358 4.394 . 0 0 "[ . 1 . 2]" 1
1388 1 70 GLN HB2 1 71 PRO HD2 . . 4.450 3.954 3.872 4.035 . 0 0 "[ . 1 . 2]" 1
1389 1 70 GLN HB2 1 73 THR HB . . 4.250 3.095 2.774 3.435 . 0 0 "[ . 1 . 2]" 1
1390 1 70 GLN HB2 1 73 THR MG . . 3.920 3.086 2.857 3.287 . 0 0 "[ . 1 . 2]" 1
1391 1 70 GLN HB3 1 71 PRO HD2 . . 3.750 2.483 2.361 2.645 . 0 0 "[ . 1 . 2]" 1
1392 1 70 GLN HB3 1 71 PRO HD3 . . 4.430 3.854 3.757 3.972 . 0 0 "[ . 1 . 2]" 1
1393 1 70 GLN HB3 1 73 THR HB . . 4.510 4.014 3.661 4.319 . 0 0 "[ . 1 . 2]" 1
1394 1 70 GLN HB3 1 73 THR MG . . 4.230 4.118 3.928 4.234 0.004 18 0 "[ . 1 . 2]" 1
1395 1 70 GLN QG 1 71 PRO HD2 . . 4.510 3.639 3.030 4.080 . 0 0 "[ . 1 . 2]" 1
1396 1 70 GLN QG 1 73 THR MG . . 4.400 4.208 3.923 4.403 0.003 3 0 "[ . 1 . 2]" 1
1397 1 71 PRO HA 1 72 ASP H . . 3.280 2.220 2.167 2.333 . 0 0 "[ . 1 . 2]" 1
1398 1 71 PRO HA 1 72 ASP HA . . 4.580 4.405 4.384 4.452 . 0 0 "[ . 1 . 2]" 1
1399 1 71 PRO HA 1 73 THR H . . 4.280 3.898 3.600 4.100 . 0 0 "[ . 1 . 2]" 1
1400 1 71 PRO HA 1 98 THR HB . . 3.840 3.233 2.626 3.742 . 0 0 "[ . 1 . 2]" 1
1401 1 71 PRO HA 1 98 THR HG1 . . 3.450 2.345 2.078 2.686 . 0 0 "[ . 1 . 2]" 1
1402 1 71 PRO HA 1 98 THR MG . . 4.380 4.069 3.460 4.380 0.000 20 0 "[ . 1 . 2]" 1
1403 1 71 PRO HA 1 101 PRO HD3 . . 5.400 4.231 3.898 4.678 . 0 0 "[ . 1 . 2]" 1
1404 1 71 PRO HB2 1 72 ASP H . . 4.090 3.170 2.792 3.415 . 0 0 "[ . 1 . 2]" 1
1405 1 71 PRO HB2 1 72 ASP QB . . 4.710 3.353 3.218 3.569 . 0 0 "[ . 1 . 2]" 1
1406 1 71 PRO HB2 1 98 THR HG1 . . 4.970 4.745 4.462 4.969 . 0 0 "[ . 1 . 2]" 1
1407 1 71 PRO HB2 1 100 PRO HA . . 4.370 3.863 3.328 4.306 . 0 0 "[ . 1 . 2]" 1
1408 1 71 PRO HB2 1 101 PRO HD2 . . 4.770 3.947 3.681 4.196 . 0 0 "[ . 1 . 2]" 1
1409 1 71 PRO HB2 1 101 PRO HD3 . . 3.580 2.251 2.005 2.468 . 0 0 "[ . 1 . 2]" 1
1410 1 71 PRO HB3 1 72 ASP H . . 4.280 3.768 3.547 3.921 . 0 0 "[ . 1 . 2]" 1
1411 1 71 PRO HB3 1 101 PRO HD3 . . 4.690 3.835 3.609 4.076 . 0 0 "[ . 1 . 2]" 1
1412 1 72 ASP H 1 72 ASP HB2 . . 4.200 3.214 3.020 3.957 . 0 0 "[ . 1 . 2]" 1
1413 1 72 ASP H 1 72 ASP QB . . 3.590 2.928 2.861 3.047 . 0 0 "[ . 1 . 2]" 1
1414 1 72 ASP H 1 72 ASP HB3 . . 4.200 3.492 2.971 4.028 . 0 0 "[ . 1 . 2]" 1
1415 1 72 ASP H 1 73 THR H . . 3.740 2.849 2.670 2.990 . 0 0 "[ . 1 . 2]" 1
1416 1 72 ASP H 1 98 THR HB . . 4.390 3.567 3.244 3.933 . 0 0 "[ . 1 . 2]" 1
1417 1 72 ASP H 1 98 THR HG1 . . 3.990 2.465 1.901 3.130 . 0 0 "[ . 1 . 2]" 1
1418 1 72 ASP H 1 100 PRO HA . . 4.130 3.227 2.960 3.568 . 0 0 "[ . 1 . 2]" 1
1419 1 72 ASP HA 1 73 THR H . . 3.200 2.677 2.615 2.786 . 0 0 "[ . 1 . 2]" 1
1420 1 72 ASP HA 1 97 ARG HG2 . . 4.800 3.534 3.071 3.867 . 0 0 "[ . 1 . 2]" 1
1421 1 72 ASP HA 1 97 ARG QG . . 4.200 3.317 2.970 3.593 . 0 0 "[ . 1 . 2]" 1
1422 1 72 ASP HA 1 97 ARG HG3 . . 4.800 4.084 3.267 4.513 . 0 0 "[ . 1 . 2]" 1
1423 1 72 ASP HA 1 98 THR HG1 . . 4.500 3.839 2.888 4.495 . 0 0 "[ . 1 . 2]" 1
1424 1 72 ASP HA 1 100 PRO HA . . 4.370 3.426 3.122 3.668 . 0 0 "[ . 1 . 2]" 1
1425 1 72 ASP QB 1 100 PRO HA . . 3.340 2.442 2.163 3.117 . 0 0 "[ . 1 . 2]" 1
1426 1 72 ASP QB 1 100 PRO QB . . 4.170 3.519 3.256 3.990 . 0 0 "[ . 1 . 2]" 1
1427 1 72 ASP QB 1 101 PRO HD2 . . 3.180 2.458 2.105 3.046 . 0 0 "[ . 1 . 2]" 1
1428 1 72 ASP QB 1 101 PRO HD3 . . 3.790 2.047 1.920 2.396 . 0 0 "[ . 1 . 2]" 1
1429 1 72 ASP HB2 1 100 PRO HA . . 4.190 2.612 2.177 4.116 . 0 0 "[ . 1 . 2]" 1
1430 1 72 ASP HB2 1 101 PRO HD3 . . 4.390 2.265 1.997 3.771 . 0 0 "[ . 1 . 2]" 1
1431 1 72 ASP HB3 1 100 PRO HA . . 4.190 3.875 2.342 4.194 0.004 15 0 "[ . 1 . 2]" 1
1432 1 72 ASP HB3 1 101 PRO HD3 . . 4.390 2.807 2.025 4.038 . 0 0 "[ . 1 . 2]" 1
1433 1 73 THR H 1 73 THR HB . . 3.390 2.798 2.694 2.878 . 0 0 "[ . 1 . 2]" 1
1434 1 73 THR H 1 73 THR MG . . 4.160 3.910 3.845 3.948 . 0 0 "[ . 1 . 2]" 1
1435 1 73 THR H 1 74 THR H . . 4.730 4.339 4.259 4.419 . 0 0 "[ . 1 . 2]" 1
1436 1 73 THR H 1 75 TYR QE . . 4.220 4.050 3.809 4.211 . 0 0 "[ . 1 . 2]" 1
1437 1 73 THR H 1 97 ARG HA . . 4.800 4.413 4.224 4.547 . 0 0 "[ . 1 . 2]" 1
1438 1 73 THR H 1 97 ARG HG2 . . 4.620 4.132 3.606 4.616 . 0 0 "[ . 1 . 2]" 1
1439 1 73 THR H 1 97 ARG HG3 . . 4.620 3.990 3.321 4.622 0.002 14 0 "[ . 1 . 2]" 1
1440 1 73 THR H 1 98 THR H . . 3.480 2.847 2.691 3.094 . 0 0 "[ . 1 . 2]" 1
1441 1 73 THR H 1 98 THR HB . . 4.350 4.052 3.859 4.341 . 0 0 "[ . 1 . 2]" 1
1442 1 73 THR H 1 98 THR HG1 . . 3.190 2.250 1.898 2.582 . 0 0 "[ . 1 . 2]" 1
1443 1 73 THR H 1 98 THR MG . . 4.140 3.538 3.073 4.116 . 0 0 "[ . 1 . 2]" 1
1444 1 73 THR HA 1 73 THR MG . . 3.290 2.398 2.275 2.480 . 0 0 "[ . 1 . 2]" 1
1445 1 73 THR HA 1 74 THR H . . 2.820 2.195 2.157 2.257 . 0 0 "[ . 1 . 2]" 1
1446 1 73 THR HA 1 74 THR HB . . 4.790 4.731 4.633 4.791 0.001 12 0 "[ . 1 . 2]" 1
1447 1 73 THR HA 1 97 ARG QG . . 4.770 4.283 3.912 4.610 . 0 0 "[ . 1 . 2]" 1
1448 1 73 THR HB 1 75 TYR QE . . 3.330 2.073 1.994 2.293 . 0 0 "[ . 1 . 2]" 1
1449 1 73 THR HB 1 98 THR H . . 4.850 4.578 4.308 4.850 0.000 5 0 "[ . 1 . 2]" 1
1450 1 73 THR HB 1 98 THR HG1 . . 3.860 3.442 3.124 3.810 . 0 0 "[ . 1 . 2]" 1
1451 1 73 THR HB 1 98 THR MG . . 4.490 3.570 2.891 4.274 . 0 0 "[ . 1 . 2]" 1
1452 1 73 THR HG1 1 74 THR H . . 4.750 4.480 4.064 4.768 0.018 4 0 "[ . 1 . 2]" 1
1453 1 73 THR HG1 1 75 TYR QE . . 4.670 4.447 4.014 4.669 . 0 0 "[ . 1 . 2]" 1
1454 1 73 THR MG 1 74 THR H . . 3.310 2.263 1.882 2.563 . 0 0 "[ . 1 . 2]" 1
1455 1 73 THR MG 1 74 THR HA . . 5.330 3.922 3.810 4.078 . 0 0 "[ . 1 . 2]" 1
1456 1 73 THR MG 1 74 THR HB . . 4.190 3.882 3.737 4.011 . 0 0 "[ . 1 . 2]" 1
1457 1 73 THR MG 1 74 THR MG . . 4.630 4.569 4.446 4.643 0.013 18 0 "[ . 1 . 2]" 1
1458 1 73 THR MG 1 75 TYR HA . . 5.500 4.178 3.950 4.411 . 0 0 "[ . 1 . 2]" 1
1459 1 73 THR MG 1 75 TYR QE . . 3.570 2.876 2.536 3.097 . 0 0 "[ . 1 . 2]" 1
1460 1 73 THR MG 1 98 THR MG . . 4.770 4.356 3.889 4.701 . 0 0 "[ . 1 . 2]" 1
1461 1 74 THR H 1 74 THR HB . . 3.080 2.563 2.488 2.628 . 0 0 "[ . 1 . 2]" 1
1462 1 74 THR H 1 74 THR MG . . 4.000 3.790 3.767 3.809 . 0 0 "[ . 1 . 2]" 1
1463 1 74 THR H 1 75 TYR H . . 4.720 4.482 4.359 4.568 . 0 0 "[ . 1 . 2]" 1
1464 1 74 THR H 1 97 ARG QG . . 5.340 4.233 3.904 4.584 . 0 0 "[ . 1 . 2]" 1
1465 1 74 THR HA 1 74 THR MG . . 3.280 2.386 2.249 2.454 . 0 0 "[ . 1 . 2]" 1
1466 1 74 THR HA 1 75 TYR H . . 2.970 2.149 2.141 2.172 . 0 0 "[ . 1 . 2]" 1
1467 1 74 THR HA 1 96 PHE H . . 4.560 4.424 4.273 4.511 . 0 0 "[ . 1 . 2]" 1
1468 1 74 THR HA 1 97 ARG HA . . 3.360 2.425 2.167 2.605 . 0 0 "[ . 1 . 2]" 1
1469 1 74 THR HA 1 97 ARG HB2 . . 4.800 4.011 3.492 4.459 . 0 0 "[ . 1 . 2]" 1
1470 1 74 THR HA 1 97 ARG QG . . 4.570 3.347 2.916 3.740 . 0 0 "[ . 1 . 2]" 1
1471 1 74 THR HA 1 98 THR H . . 3.940 3.748 3.550 3.950 0.010 18 0 "[ . 1 . 2]" 1
1472 1 74 THR HB 1 75 TYR H . . 4.470 4.190 4.107 4.304 . 0 0 "[ . 1 . 2]" 1
1473 1 74 THR MG 1 75 TYR H . . 3.530 2.650 2.458 2.873 . 0 0 "[ . 1 . 2]" 1
1474 1 74 THR MG 1 75 TYR QB . . 5.160 4.402 4.272 4.553 . 0 0 "[ . 1 . 2]" 1
1475 1 74 THR MG 1 76 ILE MD . . 3.420 2.473 2.242 2.646 . 0 0 "[ . 1 . 2]" 1
1476 1 74 THR MG 1 76 ILE QG . . 4.370 3.313 3.059 3.621 . 0 0 "[ . 1 . 2]" 1
1477 1 74 THR MG 1 95 GLU QB . . 3.880 3.700 3.298 3.893 0.013 6 0 "[ . 1 . 2]" 1
1478 1 74 THR MG 1 95 GLU HG2 . . 4.060 2.631 2.002 3.551 . 0 0 "[ . 1 . 2]" 1
1479 1 74 THR MG 1 95 GLU QG . . 3.370 2.421 1.964 3.047 . 0 0 "[ . 1 . 2]" 1
1480 1 74 THR MG 1 95 GLU HG3 . . 4.060 3.053 2.314 4.098 0.038 18 0 "[ . 1 . 2]" 1
1481 1 74 THR MG 1 96 PHE H . . 3.890 2.767 2.521 3.120 . 0 0 "[ . 1 . 2]" 1
1482 1 74 THR MG 1 96 PHE HB2 . . 5.490 4.299 4.090 4.681 . 0 0 "[ . 1 . 2]" 1
1483 1 74 THR MG 1 97 ARG HA . . 4.370 3.757 3.571 4.051 . 0 0 "[ . 1 . 2]" 1
1484 1 74 THR MG 1 97 ARG HB2 . . 4.230 3.941 3.533 4.231 0.001 19 0 "[ . 1 . 2]" 1
1485 1 74 THR MG 1 97 ARG QD . . 5.240 4.839 3.689 5.243 0.003 14 0 "[ . 1 . 2]" 1
1486 1 75 TYR H 1 75 TYR QB . . 3.510 2.483 2.419 2.557 . 0 0 "[ . 1 . 2]" 1
1487 1 75 TYR H 1 75 TYR QD . . 3.910 3.230 3.006 3.469 . 0 0 "[ . 1 . 2]" 1
1488 1 75 TYR H 1 96 PHE H . . 3.870 3.473 3.163 3.795 . 0 0 "[ . 1 . 2]" 1
1489 1 75 TYR H 1 97 ARG HA . . 3.850 3.362 3.117 3.603 . 0 0 "[ . 1 . 2]" 1
1490 1 75 TYR H 1 98 THR H . . 4.630 4.481 4.144 4.639 0.009 17 0 "[ . 1 . 2]" 1
1491 1 75 TYR HA 1 75 TYR QD . . 4.520 2.770 2.610 2.914 . 0 0 "[ . 1 . 2]" 1
1492 1 75 TYR HA 1 75 TYR QE . . 5.500 4.507 4.450 4.556 . 0 0 "[ . 1 . 2]" 1
1493 1 75 TYR HA 1 76 ILE H . . 2.910 2.143 2.138 2.186 . 0 0 "[ . 1 . 2]" 1
1494 1 75 TYR HA 1 76 ILE HB . . 5.470 4.759 4.685 4.867 . 0 0 "[ . 1 . 2]" 1
1495 1 75 TYR HA 1 76 ILE MD . . 4.690 4.296 4.028 4.555 . 0 0 "[ . 1 . 2]" 1
1496 1 75 TYR QB 1 76 ILE H . . 3.790 3.338 3.027 3.494 . 0 0 "[ . 1 . 2]" 1
1497 1 75 TYR QB 1 77 VAL MG1 . . 5.500 5.377 5.277 5.476 . 0 0 "[ . 1 . 2]" 1
1498 1 75 TYR QB 1 77 VAL MG2 . . 3.610 3.143 3.030 3.316 . 0 0 "[ . 1 . 2]" 1
1499 1 75 TYR QD 1 76 ILE H . . 4.660 3.925 3.561 4.157 . 0 0 "[ . 1 . 2]" 1
1500 1 75 TYR QD 1 77 VAL MG2 . . 5.050 4.690 4.499 5.040 . 0 0 "[ . 1 . 2]" 1
1501 1 75 TYR QD 1 97 ARG HA . . 4.600 4.423 4.136 4.601 0.001 1 0 "[ . 1 . 2]" 1
1502 1 75 TYR QD 1 98 THR MG . . 3.490 2.187 1.884 2.583 . 0 0 "[ . 1 . 2]" 1
1503 1 75 TYR QE 1 98 THR H . . 4.870 4.841 4.710 4.877 0.007 19 0 "[ . 1 . 2]" 1
1504 1 75 TYR QE 1 98 THR MG . . 3.530 2.565 2.073 3.413 . 0 0 "[ . 1 . 2]" 1
1505 1 76 ILE H 1 76 ILE HB . . 3.350 2.635 2.553 2.732 . 0 0 "[ . 1 . 2]" 1
1506 1 76 ILE H 1 76 ILE MD . . 4.570 3.301 3.025 3.473 . 0 0 "[ . 1 . 2]" 1
1507 1 76 ILE H 1 76 ILE HG12 . . 4.060 2.126 1.889 2.375 . 0 0 "[ . 1 . 2]" 1
1508 1 76 ILE H 1 76 ILE HG13 . . 4.060 3.593 3.368 3.810 . 0 0 "[ . 1 . 2]" 1
1509 1 76 ILE H 1 76 ILE MG . . 4.030 3.801 3.764 3.836 . 0 0 "[ . 1 . 2]" 1
1510 1 76 ILE H 1 77 VAL H . . 5.140 4.543 4.431 4.612 . 0 0 "[ . 1 . 2]" 1
1511 1 76 ILE H 1 77 VAL MG2 . . 4.620 4.158 3.995 4.333 . 0 0 "[ . 1 . 2]" 1
1512 1 76 ILE HB 1 76 ILE MD . . 3.350 3.223 3.207 3.230 . 0 0 "[ . 1 . 2]" 1
1513 1 76 ILE MD 1 77 VAL H . . 4.530 3.765 3.455 3.918 . 0 0 "[ . 1 . 2]" 1
1514 1 76 ILE MD 1 93 ASP HB2 . . 4.860 3.278 2.559 4.210 . 0 0 "[ . 1 . 2]" 1
1515 1 76 ILE MD 1 93 ASP QB . . 4.030 2.909 2.533 3.285 . 0 0 "[ . 1 . 2]" 1
1516 1 76 ILE MD 1 93 ASP HB3 . . 4.860 3.955 2.654 4.767 . 0 0 "[ . 1 . 2]" 1
1517 1 76 ILE MD 1 95 GLU HA . . 4.030 2.196 1.912 2.737 . 0 0 "[ . 1 . 2]" 1
1518 1 76 ILE MD 1 95 GLU QB . . 4.340 3.551 3.005 4.257 . 0 0 "[ . 1 . 2]" 1
1519 1 76 ILE MD 1 95 GLU HG2 . . 4.010 3.548 2.595 4.015 0.005 20 0 "[ . 1 . 2]" 1
1520 1 76 ILE MD 1 95 GLU HG3 . . 4.010 2.896 2.358 3.982 . 0 0 "[ . 1 . 2]" 1
1521 1 76 ILE MD 1 96 PHE H . . 4.740 2.949 2.704 3.342 . 0 0 "[ . 1 . 2]" 1
1522 1 76 ILE QG 1 77 VAL H . . 5.110 4.636 4.580 4.711 . 0 0 "[ . 1 . 2]" 1
1523 1 76 ILE QG 1 95 GLU QG . . 5.130 4.542 3.958 5.067 . 0 0 "[ . 1 . 2]" 1
1524 1 76 ILE HG12 1 76 ILE MG . . 3.350 3.196 3.179 3.201 . 0 0 "[ . 1 . 2]" 1
1525 1 76 ILE HG13 1 76 ILE MG . . 3.350 2.368 2.269 2.469 . 0 0 "[ . 1 . 2]" 1
1526 1 76 ILE MG 1 77 VAL H . . 3.430 2.460 2.297 2.703 . 0 0 "[ . 1 . 2]" 1
1527 1 76 ILE MG 1 77 VAL HA . . 4.480 3.666 3.512 3.813 . 0 0 "[ . 1 . 2]" 1
1528 1 76 ILE MG 1 93 ASP HA . . 3.880 2.535 2.327 2.832 . 0 0 "[ . 1 . 2]" 1
1529 1 76 ILE MG 1 93 ASP HB2 . . 3.580 2.675 1.929 3.582 0.002 20 0 "[ . 1 . 2]" 1
1530 1 76 ILE MG 1 93 ASP QB . . 3.040 2.177 1.886 2.601 . 0 0 "[ . 1 . 2]" 1
1531 1 76 ILE MG 1 93 ASP HB3 . . 3.580 2.729 1.942 3.461 . 0 0 "[ . 1 . 2]" 1
1532 1 76 ILE MG 1 94 HIS H . . 3.860 2.501 2.188 2.970 . 0 0 "[ . 1 . 2]" 1
1533 1 76 ILE MG 1 95 GLU H . . 5.010 4.530 4.284 4.968 . 0 0 "[ . 1 . 2]" 1
1534 1 76 ILE MG 1 96 PHE H . . 4.670 4.666 4.604 4.704 0.034 18 0 "[ . 1 . 2]" 1
1535 1 77 VAL H 1 77 VAL HB . . 3.680 2.818 2.716 2.904 . 0 0 "[ . 1 . 2]" 1
1536 1 77 VAL H 1 77 VAL MG1 . . 4.280 3.923 3.884 3.958 . 0 0 "[ . 1 . 2]" 1
1537 1 77 VAL H 1 77 VAL MG2 . . 3.510 2.843 2.663 2.955 . 0 0 "[ . 1 . 2]" 1
1538 1 77 VAL H 1 78 ARG H . . 4.610 4.386 4.303 4.452 . 0 0 "[ . 1 . 2]" 1
1539 1 77 VAL H 1 93 ASP HA . . 4.640 4.455 4.205 4.646 0.006 11 0 "[ . 1 . 2]" 1
1540 1 77 VAL H 1 94 HIS H . . 3.840 3.071 2.865 3.423 . 0 0 "[ . 1 . 2]" 1
1541 1 77 VAL H 1 94 HIS HB2 . . 4.640 3.038 2.811 3.419 . 0 0 "[ . 1 . 2]" 1
1542 1 77 VAL H 1 96 PHE H . . 5.500 4.833 4.553 5.167 . 0 0 "[ . 1 . 2]" 1
1543 1 77 VAL HA 1 77 VAL MG1 . . 3.340 2.355 2.205 2.428 . 0 0 "[ . 1 . 2]" 1
1544 1 77 VAL HA 1 77 VAL MG2 . . 3.400 2.408 2.308 2.505 . 0 0 "[ . 1 . 2]" 1
1545 1 77 VAL HA 1 78 ARG H . . 2.940 2.227 2.183 2.277 . 0 0 "[ . 1 . 2]" 1
1546 1 77 VAL HA 1 78 ARG HG2 . . 4.760 3.621 3.398 3.828 . 0 0 "[ . 1 . 2]" 1
1547 1 77 VAL HA 1 78 ARG HG3 . . 5.210 4.710 4.314 5.128 . 0 0 "[ . 1 . 2]" 1
1548 1 77 VAL HB 1 78 ARG H . . 4.610 3.885 3.712 3.979 . 0 0 "[ . 1 . 2]" 1
1549 1 77 VAL HB 1 94 HIS HB2 . . 4.310 3.576 3.348 3.858 . 0 0 "[ . 1 . 2]" 1
1550 1 77 VAL HB 1 94 HIS HB3 . . 4.860 4.482 4.185 4.896 0.036 18 0 "[ . 1 . 2]" 1
1551 1 77 VAL HB 1 96 PHE QD . . 3.970 3.006 2.707 3.241 . 0 0 "[ . 1 . 2]" 1
1552 1 77 VAL HB 1 96 PHE QE . . 3.810 2.648 2.102 3.016 . 0 0 "[ . 1 . 2]" 1
1553 1 77 VAL MG1 1 78 ARG H . . 3.410 2.036 1.872 2.211 . 0 0 "[ . 1 . 2]" 1
1554 1 77 VAL MG1 1 78 ARG HA . . 4.620 3.427 3.225 3.657 . 0 0 "[ . 1 . 2]" 1
1555 1 77 VAL MG1 1 96 PHE QD . . 4.670 4.427 4.152 4.638 . 0 0 "[ . 1 . 2]" 1
1556 1 77 VAL MG1 1 96 PHE QE . . 4.180 3.921 3.530 4.178 . 0 0 "[ . 1 . 2]" 1
1557 1 77 VAL MG2 1 78 ARG H . . 4.190 3.976 3.881 4.062 . 0 0 "[ . 1 . 2]" 1
1558 1 77 VAL MG2 1 96 PHE H . . 5.300 5.014 4.387 5.292 . 0 0 "[ . 1 . 2]" 1
1559 1 77 VAL MG2 1 96 PHE HB2 . . 4.050 3.583 2.755 3.997 . 0 0 "[ . 1 . 2]" 1
1560 1 77 VAL MG2 1 96 PHE QD . . 3.310 2.578 2.158 3.014 . 0 0 "[ . 1 . 2]" 1
1561 1 77 VAL MG2 1 96 PHE QE . . 4.020 3.632 3.106 4.003 . 0 0 "[ . 1 . 2]" 1
1562 1 78 ARG H 1 78 ARG QD . . 5.340 4.370 4.015 4.577 . 0 0 "[ . 1 . 2]" 1
1563 1 78 ARG H 1 78 ARG HG2 . . 3.880 2.614 2.237 3.080 . 0 0 "[ . 1 . 2]" 1
1564 1 78 ARG H 1 78 ARG HG3 . . 4.160 2.977 2.651 3.524 . 0 0 "[ . 1 . 2]" 1
1565 1 78 ARG HA 1 79 VAL H . . 3.200 2.152 2.140 2.245 . 0 0 "[ . 1 . 2]" 1
1566 1 78 ARG HA 1 79 VAL MG1 . . 4.670 4.019 3.851 4.154 . 0 0 "[ . 1 . 2]" 1
1567 1 78 ARG HB2 1 78 ARG HD2 . . 4.150 3.267 2.220 3.630 . 0 0 "[ . 1 . 2]" 1
1568 1 78 ARG HB2 1 78 ARG HD3 . . 4.150 2.654 2.176 3.901 . 0 0 "[ . 1 . 2]" 1
1569 1 78 ARG HB2 1 79 VAL H . . 4.070 3.341 2.861 3.510 . 0 0 "[ . 1 . 2]" 1
1570 1 78 ARG HB2 1 90 PHE HB2 . . 5.110 5.016 4.564 5.126 0.016 18 0 "[ . 1 . 2]" 1
1571 1 78 ARG HB2 1 90 PHE HB3 . . 4.650 3.269 2.821 3.416 . 0 0 "[ . 1 . 2]" 1
1572 1 78 ARG HB2 1 90 PHE QD . . 4.490 3.016 2.877 3.156 . 0 0 "[ . 1 . 2]" 1
1573 1 78 ARG HB2 1 91 SER H . . 4.810 3.268 2.818 3.588 . 0 0 "[ . 1 . 2]" 1
1574 1 78 ARG HB2 1 91 SER HG . . 5.400 3.104 1.998 3.688 . 0 0 "[ . 1 . 2]" 1
1575 1 78 ARG HB2 1 93 ASP HA . . 5.310 4.964 4.725 5.285 . 0 0 "[ . 1 . 2]" 1
1576 1 78 ARG HB3 1 78 ARG QD . . 3.700 2.698 2.153 3.114 . 0 0 "[ . 1 . 2]" 1
1577 1 78 ARG HB3 1 79 VAL H . . 4.350 4.163 3.914 4.237 . 0 0 "[ . 1 . 2]" 1
1578 1 78 ARG HB3 1 90 PHE HB3 . . 4.660 4.466 4.028 4.631 . 0 0 "[ . 1 . 2]" 1
1579 1 78 ARG HB3 1 90 PHE QD . . 4.840 4.565 4.375 4.713 . 0 0 "[ . 1 . 2]" 1
1580 1 78 ARG HB3 1 91 SER HG . . 4.760 3.236 2.517 3.765 . 0 0 "[ . 1 . 2]" 1
1581 1 78 ARG HB3 1 93 ASP HA . . 4.120 3.399 3.122 3.700 . 0 0 "[ . 1 . 2]" 1
1582 1 78 ARG QD 1 90 PHE HB3 . . 4.080 2.450 1.977 4.094 0.014 3 0 "[ . 1 . 2]" 1
1583 1 78 ARG HD2 1 90 PHE HB3 . . 4.740 3.433 2.000 4.636 . 0 0 "[ . 1 . 2]" 1
1584 1 78 ARG HD2 1 90 PHE QD . . 4.830 3.466 2.209 4.834 0.004 3 0 "[ . 1 . 2]" 1
1585 1 78 ARG HD3 1 90 PHE HB3 . . 4.740 2.806 1.992 4.751 0.011 8 0 "[ . 1 . 2]" 1
1586 1 78 ARG HD3 1 90 PHE QD . . 4.830 3.204 2.020 4.726 . 0 0 "[ . 1 . 2]" 1
1587 1 78 ARG HG2 1 90 PHE QD . . 4.740 4.472 4.186 4.736 . 0 0 "[ . 1 . 2]" 1
1588 1 78 ARG HG2 1 93 ASP HA . . 5.080 4.855 4.276 5.085 0.005 3 0 "[ . 1 . 2]" 1
1589 1 78 ARG HG3 1 90 PHE QD . . 4.340 2.980 2.469 3.618 . 0 0 "[ . 1 . 2]" 1
1590 1 79 VAL H 1 79 VAL HB . . 4.060 2.927 2.803 3.159 . 0 0 "[ . 1 . 2]" 1
1591 1 79 VAL H 1 79 VAL MG1 . . 3.730 2.263 2.101 2.484 . 0 0 "[ . 1 . 2]" 1
1592 1 79 VAL H 1 79 VAL MG2 . . 4.590 3.910 3.864 4.004 . 0 0 "[ . 1 . 2]" 1
1593 1 79 VAL H 1 90 PHE QD . . 5.050 4.771 4.433 4.985 . 0 0 "[ . 1 . 2]" 1
1594 1 79 VAL H 1 91 SER H . . 3.940 3.866 3.551 3.953 0.013 19 0 "[ . 1 . 2]" 1
1595 1 79 VAL H 1 91 SER QB . . 4.210 2.687 2.186 3.174 . 0 0 "[ . 1 . 2]" 1
1596 1 79 VAL H 1 91 SER HG . . 3.940 2.879 1.896 3.687 . 0 0 "[ . 1 . 2]" 1
1597 1 79 VAL HA 1 79 VAL MG2 . . 3.540 2.203 2.047 2.353 . 0 0 "[ . 1 . 2]" 1
1598 1 79 VAL HA 1 80 ARG H . . 3.110 2.261 2.213 2.451 . 0 0 "[ . 1 . 2]" 1
1599 1 79 VAL HA 1 80 ARG HB3 . . 5.140 4.334 4.097 4.535 . 0 0 "[ . 1 . 2]" 1
1600 1 79 VAL HA 1 90 PHE QD . . 4.800 4.117 3.578 4.314 . 0 0 "[ . 1 . 2]" 1
1601 1 79 VAL HA 1 90 PHE QE . . 4.830 4.205 3.710 4.481 . 0 0 "[ . 1 . 2]" 1
1602 1 79 VAL MG1 1 80 ARG H . . 4.110 3.492 2.865 3.699 . 0 0 "[ . 1 . 2]" 1
1603 1 79 VAL MG1 1 80 ARG HA . . 4.920 3.533 3.151 3.749 . 0 0 "[ . 1 . 2]" 1
1604 1 79 VAL MG1 1 80 ARG HB3 . . 5.500 4.758 4.410 4.912 . 0 0 "[ . 1 . 2]" 1
1605 1 79 VAL MG1 1 91 SER H . . 4.710 4.520 4.325 4.724 0.014 16 0 "[ . 1 . 2]" 1
1606 1 79 VAL MG1 1 91 SER QB . . 3.930 3.097 2.915 3.455 . 0 0 "[ . 1 . 2]" 1
1607 1 79 VAL MG2 1 80 ARG H . . 3.580 1.938 1.873 2.098 . 0 0 "[ . 1 . 2]" 1
1608 1 80 ARG H 1 80 ARG HG2 . . 4.000 3.319 2.702 3.907 . 0 0 "[ . 1 . 2]" 1
1609 1 80 ARG H 1 80 ARG HG3 . . 4.000 2.745 2.218 3.912 . 0 0 "[ . 1 . 2]" 1
1610 1 80 ARG H 1 90 PHE QE . . 4.700 4.365 4.061 4.657 . 0 0 "[ . 1 . 2]" 1
1611 1 80 ARG HA 1 81 THR H . . 3.220 2.279 2.169 2.634 . 0 0 "[ . 1 . 2]" 1
1612 1 80 ARG HA 1 91 SER H . . 4.650 4.072 3.835 4.551 . 0 0 "[ . 1 . 2]" 1
1613 1 80 ARG HB2 1 81 THR H . . 3.840 2.842 2.144 3.178 . 0 0 "[ . 1 . 2]" 1
1614 1 80 ARG HB2 1 88 GLY H . . 5.080 4.738 4.087 5.088 0.008 16 0 "[ . 1 . 2]" 1
1615 1 80 ARG HB2 1 90 PHE HA . . 4.220 3.318 2.878 3.987 . 0 0 "[ . 1 . 2]" 1
1616 1 80 ARG HB3 1 80 ARG QD . . 3.680 2.938 2.307 3.387 . 0 0 "[ . 1 . 2]" 1
1617 1 80 ARG HB3 1 81 THR H . . 4.200 4.025 3.642 4.200 . 2 0 "[ . 1 . 2]" 1
1618 1 80 ARG HB3 1 90 PHE HA . . 4.130 2.152 1.991 2.779 . 0 0 "[ . 1 . 2]" 1
1619 1 80 ARG HB3 1 90 PHE QD . . 4.790 3.342 2.766 3.789 . 0 0 "[ . 1 . 2]" 1
1620 1 80 ARG HB3 1 91 SER H . . 4.420 2.851 2.455 3.845 . 0 0 "[ . 1 . 2]" 1
1621 1 80 ARG QD 1 82 LEU QD . . 4.550 2.972 1.734 3.796 . 0 0 "[ . 1 . 2]" 1
1622 1 80 ARG QD 1 87 PRO HB2 . . 4.160 3.558 3.170 3.948 . 0 0 "[ . 1 . 2]" 1
1623 1 80 ARG QD 1 87 PRO HB3 . . 4.790 4.604 4.316 4.805 0.015 17 0 "[ . 1 . 2]" 1
1624 1 80 ARG QD 1 88 GLY H . . 4.680 3.874 3.331 4.694 0.014 14 0 "[ . 1 . 2]" 1
1625 1 80 ARG QD 1 90 PHE QE . . 5.170 3.670 2.579 4.553 . 0 0 "[ . 1 . 2]" 1
1626 1 80 ARG QD 1 90 PHE HZ . . 5.340 4.063 2.750 5.107 . 0 0 "[ . 1 . 2]" 1
1627 1 80 ARG HE 1 82 LEU QD . . 4.340 2.758 1.812 4.040 . 0 0 "[ . 1 . 2]" 1
1628 1 80 ARG HE 1 87 PRO HB3 . . 4.960 4.560 3.968 4.970 0.010 17 0 "[ . 1 . 2]" 1
1629 1 80 ARG QG 1 82 LEU QD . . 4.580 3.360 1.996 4.242 . 0 0 "[ . 1 . 2]" 1
1630 1 80 ARG HG2 1 90 PHE QE . . 4.940 2.997 2.430 3.618 . 0 0 "[ . 1 . 2]" 1
1631 1 80 ARG HG3 1 90 PHE QE . . 4.940 3.816 3.056 4.886 . 0 0 "[ . 1 . 2]" 1
1632 1 81 THR H 1 81 THR HB . . 3.570 2.569 2.440 2.735 . 0 0 "[ . 1 . 2]" 1
1633 1 81 THR H 1 81 THR MG . . 3.790 3.785 3.755 3.856 0.066 16 0 "[ . 1 . 2]" 1
1634 1 81 THR H 1 88 GLY H . . 5.420 4.875 3.351 5.439 0.019 17 0 "[ . 1 . 2]" 1
1635 1 81 THR HA 1 81 THR MG . . 3.240 2.312 2.142 2.431 . 0 0 "[ . 1 . 2]" 1
1636 1 81 THR HA 1 82 LEU H . . 3.090 2.176 2.142 2.295 . 0 0 "[ . 1 . 2]" 1
1637 1 81 THR HB 1 82 LEU H . . 4.510 4.265 3.845 4.495 . 0 0 "[ . 1 . 2]" 1
1638 1 81 THR HB 1 83 THR MG . . 4.010 3.701 3.502 4.026 0.016 7 0 "[ . 1 . 2]" 1
1639 1 81 THR MG 1 82 LEU H . . 3.580 2.806 2.163 3.394 . 0 0 "[ . 1 . 2]" 1
1640 1 82 LEU H 1 82 LEU QB . . 3.440 2.160 2.113 2.275 . 0 0 "[ . 1 . 2]" 1
1641 1 82 LEU H 1 82 LEU MD1 . . 4.460 3.698 2.493 4.126 . 0 0 "[ . 1 . 2]" 1
1642 1 82 LEU H 1 82 LEU QD . . 3.850 3.021 2.115 3.744 . 0 0 "[ . 1 . 2]" 1
1643 1 82 LEU H 1 82 LEU MD2 . . 4.460 3.495 2.131 4.290 . 0 0 "[ . 1 . 2]" 1
1644 1 82 LEU H 1 82 LEU HG . . 4.940 3.590 2.769 4.491 . 0 0 "[ . 1 . 2]" 1
1645 1 82 LEU H 1 83 THR H . . 4.770 4.588 4.483 4.644 . 0 0 "[ . 1 . 2]" 1
1646 1 82 LEU H 1 83 THR MG . . 4.830 4.220 4.022 4.541 . 0 0 "[ . 1 . 2]" 1
1647 1 82 LEU HA 1 82 LEU MD1 . . 4.090 3.027 1.891 3.818 . 0 0 "[ . 1 . 2]" 1
1648 1 82 LEU HA 1 82 LEU QD . . 3.040 2.008 1.865 2.669 . 0 0 "[ . 1 . 2]" 1
1649 1 82 LEU HA 1 82 LEU MD2 . . 4.090 2.488 1.968 3.842 . 0 0 "[ . 1 . 2]" 1
1650 1 82 LEU HA 1 82 LEU HG . . 4.060 2.992 2.311 3.670 . 0 0 "[ . 1 . 2]" 1
1651 1 82 LEU HA 1 83 THR H . . 2.830 2.232 2.143 2.428 . 0 0 "[ . 1 . 2]" 1
1652 1 82 LEU HA 1 83 THR MG . . 4.010 3.247 2.996 3.514 . 0 0 "[ . 1 . 2]" 1
1653 1 82 LEU HA 1 87 PRO HA . . 4.080 3.613 2.897 3.935 . 0 0 "[ . 1 . 2]" 1
1654 1 82 LEU HA 1 87 PRO HB2 . . 4.640 3.686 3.114 4.328 . 0 0 "[ . 1 . 2]" 1
1655 1 82 LEU HA 1 88 GLY H . . 4.120 3.710 2.779 4.123 0.003 13 0 "[ . 1 . 2]" 1
1656 1 82 LEU QB 1 82 LEU QD . . 2.760 1.948 1.881 2.037 . 0 0 "[ . 1 . 2]" 1
1657 1 82 LEU HB2 1 83 THR H . . 4.270 4.194 3.868 4.296 0.026 6 0 "[ . 1 . 2]" 1
1658 1 82 LEU HB3 1 83 THR H . . 4.270 3.053 2.463 4.198 . 0 0 "[ . 1 . 2]" 1
1659 1 82 LEU QD 1 83 THR H . . 3.690 2.665 2.341 3.647 . 0 0 "[ . 1 . 2]" 1
1660 1 82 LEU QD 1 83 THR MG . . 4.440 4.133 3.738 4.449 0.009 17 0 "[ . 1 . 2]" 1
1661 1 82 LEU QD 1 87 PRO HA . . 4.080 3.998 3.724 4.140 0.060 17 0 "[ . 1 . 2]" 1
1662 1 82 LEU QD 1 87 PRO HB3 . . 3.620 2.614 2.414 3.068 . 0 0 "[ . 1 . 2]" 1
1663 1 82 LEU QD 1 87 PRO QD . . 4.550 4.560 4.454 4.637 0.087 19 0 "[ . 1 . 2]" 1
1664 1 82 LEU QD 1 87 PRO HG2 . . 5.010 4.593 4.339 4.873 . 0 0 "[ . 1 . 2]" 1
1665 1 82 LEU QD 1 87 PRO HG3 . . 4.340 3.830 3.582 4.052 . 0 0 "[ . 1 . 2]" 1
1666 1 82 LEU QD 1 88 GLY H . . 4.630 4.432 4.083 4.632 0.002 9 0 "[ . 1 . 2]" 1
1667 1 82 LEU HG 1 83 THR H . . 4.730 4.428 3.168 4.770 0.040 13 0 "[ . 1 . 2]" 1
1668 1 83 THR H 1 83 THR HB . . 4.170 3.909 3.856 4.000 . 0 0 "[ . 1 . 2]" 1
1669 1 83 THR H 1 83 THR MG . . 3.440 2.660 2.551 2.765 . 0 0 "[ . 1 . 2]" 1
1670 1 83 THR H 1 84 PRO QD . . 5.040 4.335 4.296 4.349 . 0 0 "[ . 1 . 2]" 1
1671 1 83 THR H 1 87 PRO HA . . 3.830 2.608 2.377 2.931 . 0 0 "[ . 1 . 2]" 1
1672 1 83 THR H 1 88 GLY H . . 4.600 3.942 3.622 4.344 . 0 0 "[ . 1 . 2]" 1
1673 1 83 THR HA 1 83 THR MG . . 3.320 2.562 2.483 2.705 . 0 0 "[ . 1 . 2]" 1
1674 1 83 THR HA 1 84 PRO HD2 . . 3.690 2.391 2.365 2.523 . 0 0 "[ . 1 . 2]" 1
1675 1 83 THR HA 1 84 PRO QD . . 3.070 2.086 2.071 2.165 . 0 0 "[ . 1 . 2]" 1
1676 1 83 THR HA 1 84 PRO HD3 . . 3.690 2.298 2.287 2.356 . 0 0 "[ . 1 . 2]" 1
1677 1 83 THR HA 1 84 PRO HG2 . . 4.690 4.506 4.485 4.615 . 0 0 "[ . 1 . 2]" 1
1678 1 83 THR HA 1 84 PRO HG3 . . 4.690 4.468 4.452 4.552 . 0 0 "[ . 1 . 2]" 1
1679 1 83 THR HA 1 85 LEU H . . 4.750 4.251 4.124 4.382 . 0 0 "[ . 1 . 2]" 1
1680 1 83 THR HB 1 84 PRO HD2 . . 3.450 1.978 1.888 2.010 . 0 0 "[ . 1 . 2]" 1
1681 1 83 THR HB 1 84 PRO QD . . 2.910 1.965 1.874 1.996 . 0 0 "[ . 1 . 2]" 1
1682 1 83 THR HB 1 84 PRO HD3 . . 3.450 3.374 3.183 3.413 . 0 0 "[ . 1 . 2]" 1
1683 1 83 THR HB 1 84 PRO QG . . 4.310 3.748 3.711 3.787 . 0 0 "[ . 1 . 2]" 1
1684 1 83 THR HB 1 85 LEU H . . 3.860 3.210 3.050 3.383 . 0 0 "[ . 1 . 2]" 1
1685 1 83 THR HG1 1 85 LEU H . . 4.330 3.206 2.341 4.008 . 0 0 "[ . 1 . 2]" 1
1686 1 83 THR HG1 1 86 GLY H . . 4.440 3.762 3.274 4.306 . 0 0 "[ . 1 . 2]" 1
1687 1 83 THR MG 1 84 PRO HD2 . . 4.600 3.569 3.480 3.653 . 0 0 "[ . 1 . 2]" 1
1688 1 83 THR MG 1 84 PRO QD . . 3.710 3.406 3.325 3.482 . 0 0 "[ . 1 . 2]" 1
1689 1 83 THR MG 1 84 PRO HD3 . . 4.600 4.307 4.218 4.410 . 0 0 "[ . 1 . 2]" 1
1690 1 83 THR MG 1 85 LEU H . . 4.720 4.539 4.154 4.702 . 0 0 "[ . 1 . 2]" 1
1691 1 83 THR MG 1 86 GLY H . . 5.500 5.491 5.357 5.592 0.092 16 0 "[ . 1 . 2]" 1
1692 1 83 THR MG 1 87 PRO HA . . 4.720 2.100 1.948 2.683 . 0 0 "[ . 1 . 2]" 1
1693 1 83 THR MG 1 88 GLY H . . 4.790 2.380 2.054 3.019 . 0 0 "[ . 1 . 2]" 1
1694 1 84 PRO QB 1 85 LEU H . . 3.880 3.112 2.972 3.351 . 0 0 "[ . 1 . 2]" 1
1695 1 84 PRO QB 1 85 LEU QD . . 4.260 3.491 2.247 3.815 . 0 0 "[ . 1 . 2]" 1
1696 1 84 PRO HB2 1 85 LEU H . . 4.650 3.228 3.067 3.510 . 0 0 "[ . 1 . 2]" 1
1697 1 84 PRO HB3 1 85 LEU H . . 4.650 4.080 3.987 4.244 . 0 0 "[ . 1 . 2]" 1
1698 1 84 PRO QD 1 85 LEU H . . 3.760 2.615 2.602 2.640 . 0 0 "[ . 1 . 2]" 1
1699 1 84 PRO HD2 1 85 LEU H . . 4.480 2.661 2.647 2.689 . 0 0 "[ . 1 . 2]" 1
1700 1 84 PRO HD3 1 85 LEU H . . 4.480 3.841 3.836 3.857 . 0 0 "[ . 1 . 2]" 1
1701 1 85 LEU H 1 85 LEU HB2 . . 4.040 2.872 2.492 3.751 . 0 0 "[ . 1 . 2]" 1
1702 1 85 LEU H 1 85 LEU QB . . 3.320 2.695 2.452 3.154 . 0 0 "[ . 1 . 2]" 1
1703 1 85 LEU H 1 85 LEU HB3 . . 4.040 3.630 3.232 3.760 . 0 0 "[ . 1 . 2]" 1
1704 1 85 LEU H 1 85 LEU MD1 . . 4.430 3.552 1.865 4.244 . 0 0 "[ . 1 . 2]" 1
1705 1 85 LEU H 1 85 LEU MD2 . . 4.430 3.927 2.290 4.270 . 0 0 "[ . 1 . 2]" 1
1706 1 85 LEU H 1 85 LEU HG . . 3.790 3.008 2.241 3.530 . 0 0 "[ . 1 . 2]" 1
1707 1 85 LEU HA 1 85 LEU MD1 . . 4.190 3.785 3.500 4.053 . 0 0 "[ . 1 . 2]" 1
1708 1 85 LEU HA 1 85 LEU QD . . 3.290 2.439 1.960 3.346 0.056 4 0 "[ . 1 . 2]" 1
1709 1 85 LEU HA 1 85 LEU MD2 . . 4.190 2.638 1.966 4.061 . 0 0 "[ . 1 . 2]" 1
1710 1 85 LEU HA 1 85 LEU HG . . 3.780 3.132 2.751 3.686 . 0 0 "[ . 1 . 2]" 1
1711 1 85 LEU HA 1 86 GLY H . . 3.570 2.231 2.164 2.247 . 0 0 "[ . 1 . 2]" 1
1712 1 85 LEU QB 1 85 LEU QD . . 2.790 1.908 1.785 1.957 . 0 0 "[ . 1 . 2]" 1
1713 1 85 LEU QB 1 86 GLY H . . 3.960 3.703 3.517 3.742 . 0 0 "[ . 1 . 2]" 1
1714 1 85 LEU HB2 1 86 GLY H . . 4.560 4.349 3.781 4.564 0.004 14 0 "[ . 1 . 2]" 1
1715 1 85 LEU HB3 1 86 GLY H . . 4.560 4.072 3.903 4.474 . 0 0 "[ . 1 . 2]" 1
1716 1 85 LEU QD 1 86 GLY H . . 4.350 3.843 3.487 4.534 0.184 20 0 "[ . 1 . 2]" 1
1717 1 85 LEU QD 1 86 GLY HA2 . . 5.440 5.167 4.964 5.510 0.070 20 0 "[ . 1 . 2]" 1
1718 1 85 LEU HG 1 86 GLY H . . 5.460 5.138 4.681 5.330 . 0 0 "[ . 1 . 2]" 1
1719 1 86 GLY H 1 87 PRO HB3 . . 5.500 5.214 4.818 5.541 0.041 19 0 "[ . 1 . 2]" 1
1720 1 86 GLY H 1 87 PRO QD . . 4.100 2.518 2.010 2.914 . 0 0 "[ . 1 . 2]" 1
1721 1 86 GLY H 1 87 PRO HG3 . . 5.500 4.906 4.333 5.355 . 0 0 "[ . 1 . 2]" 1
1722 1 86 GLY HA2 1 87 PRO QD . . 3.010 1.945 1.863 2.115 . 0 0 "[ . 1 . 2]" 1
1723 1 86 GLY HA2 1 87 PRO HG2 . . 4.740 4.156 4.116 4.265 . 0 0 "[ . 1 . 2]" 1
1724 1 86 GLY HA2 1 87 PRO HG3 . . 4.850 4.537 4.400 4.752 . 0 0 "[ . 1 . 2]" 1
1725 1 86 GLY HA3 1 87 PRO QD . . 3.780 3.372 3.265 3.457 . 0 0 "[ . 1 . 2]" 1
1726 1 87 PRO HA 1 88 GLY H . . 3.050 2.227 2.174 2.333 . 0 0 "[ . 1 . 2]" 1
1727 1 87 PRO HB2 1 88 GLY H . . 3.940 3.160 2.804 3.397 . 0 0 "[ . 1 . 2]" 1
1728 1 87 PRO HB2 1 88 GLY QA . . 4.940 4.293 4.117 4.405 . 0 0 "[ . 1 . 2]" 1
1729 1 87 PRO HB3 1 88 GLY H . . 3.990 3.764 3.556 3.912 . 0 0 "[ . 1 . 2]" 1
1730 1 88 GLY H 1 89 PRO QD . . 4.360 4.327 4.271 4.350 . 0 0 "[ . 1 . 2]" 1
1731 1 88 GLY QA 1 89 PRO QG . . 4.450 3.696 3.681 3.699 . 0 0 "[ . 1 . 2]" 1
1732 1 88 GLY HA2 1 89 PRO QD . . 3.230 2.171 2.044 2.313 . 0 0 "[ . 1 . 2]" 1
1733 1 88 GLY HA3 1 89 PRO QD . . 3.230 2.434 2.247 2.639 . 0 0 "[ . 1 . 2]" 1
1734 1 89 PRO HA 1 90 PHE H . . 3.060 2.381 2.151 2.632 . 0 0 "[ . 1 . 2]" 1
1735 1 89 PRO HA 1 90 PHE HB2 . . 4.500 4.389 4.299 4.491 . 0 0 "[ . 1 . 2]" 1
1736 1 89 PRO HB2 1 90 PHE H . . 4.120 2.706 2.085 3.653 . 0 0 "[ . 1 . 2]" 1
1737 1 89 PRO HB3 1 90 PHE H . . 4.120 3.516 3.213 4.082 . 0 0 "[ . 1 . 2]" 1
1738 1 89 PRO QG 1 90 PHE H . . 4.660 4.206 3.763 4.699 0.039 14 0 "[ . 1 . 2]" 1
1739 1 90 PHE H 1 90 PHE HB2 . . 3.920 2.226 2.171 2.356 . 0 0 "[ . 1 . 2]" 1
1740 1 90 PHE H 1 90 PHE HB3 . . 3.760 3.496 3.469 3.540 . 0 0 "[ . 1 . 2]" 1
1741 1 90 PHE H 1 90 PHE QD . . 3.900 3.130 2.735 3.622 . 0 0 "[ . 1 . 2]" 1
1742 1 90 PHE H 1 91 SER H . . 4.940 4.480 4.378 4.621 . 0 0 "[ . 1 . 2]" 1
1743 1 90 PHE HA 1 90 PHE QD . . 3.850 2.712 2.284 2.929 . 0 0 "[ . 1 . 2]" 1
1744 1 90 PHE HA 1 91 SER H . . 3.100 2.162 2.138 2.232 . 0 0 "[ . 1 . 2]" 1
1745 1 90 PHE HB2 1 91 SER H . . 4.620 4.395 4.207 4.538 . 0 0 "[ . 1 . 2]" 1
1746 1 90 PHE HB3 1 91 SER H . . 4.140 3.387 3.012 3.726 . 0 0 "[ . 1 . 2]" 1
1747 1 90 PHE QD 1 91 SER H . . 3.990 3.399 2.959 3.701 . 0 0 "[ . 1 . 2]" 1
1748 1 91 SER H 1 91 SER QB . . 3.410 2.195 2.154 2.440 . 0 0 "[ . 1 . 2]" 1
1749 1 91 SER H 1 91 SER HG . . 4.410 3.812 2.982 4.169 . 0 0 "[ . 1 . 2]" 1
1750 1 91 SER QB 1 92 PRO QD . . 3.300 1.960 1.934 1.977 . 0 0 "[ . 1 . 2]" 1
1751 1 91 SER QB 1 92 PRO QG . . 4.180 3.700 3.570 3.725 . 0 0 "[ . 1 . 2]" 1
1752 1 91 SER QB 1 94 HIS HE1 . . 3.850 2.856 2.402 3.863 0.013 18 0 "[ . 1 . 2]" 1
1753 1 91 SER HG 1 94 HIS HE1 . . 4.640 3.470 2.873 4.536 . 0 0 "[ . 1 . 2]" 1
1754 1 92 PRO HA 1 93 ASP H . . 3.150 2.168 2.155 2.173 . 0 0 "[ . 1 . 2]" 1
1755 1 92 PRO HA 1 93 ASP QB . . 4.950 4.508 4.331 4.657 . 0 0 "[ . 1 . 2]" 1
1756 1 92 PRO HB2 1 93 ASP H . . 4.060 3.406 3.375 3.521 . 0 0 "[ . 1 . 2]" 1
1757 1 92 PRO HB2 1 93 ASP HA . . 5.500 5.063 5.024 5.092 . 0 0 "[ . 1 . 2]" 1
1758 1 92 PRO HB2 1 94 HIS HE1 . . 4.600 4.580 4.474 4.627 0.027 18 0 "[ . 1 . 2]" 1
1759 1 92 PRO HB3 1 93 ASP H . . 3.900 3.916 3.896 3.992 0.092 18 0 "[ . 1 . 2]" 1
1760 1 92 PRO QD 1 94 HIS HE1 . . 3.700 2.416 2.006 3.091 . 0 0 "[ . 1 . 2]" 1
1761 1 92 PRO QG 1 94 HIS HE1 . . 4.430 2.412 2.304 2.505 . 0 0 "[ . 1 . 2]" 1
1762 1 93 ASP H 1 93 ASP HB2 . . 3.940 3.360 2.547 3.616 . 0 0 "[ . 1 . 2]" 1
1763 1 93 ASP H 1 93 ASP QB . . 3.260 2.556 2.314 2.807 . 0 0 "[ . 1 . 2]" 1
1764 1 93 ASP H 1 93 ASP HB3 . . 3.940 2.855 2.343 3.607 . 0 0 "[ . 1 . 2]" 1
1765 1 93 ASP HA 1 94 HIS H . . 3.150 2.152 2.139 2.192 . 0 0 "[ . 1 . 2]" 1
1766 1 93 ASP QB 1 94 HIS H . . 3.990 3.461 3.306 3.632 . 0 0 "[ . 1 . 2]" 1
1767 1 93 ASP QB 1 94 HIS HA . . 4.870 4.566 4.319 4.819 . 0 0 "[ . 1 . 2]" 1
1768 1 93 ASP HB2 1 94 HIS H . . 4.640 3.843 3.458 4.363 . 0 0 "[ . 1 . 2]" 1
1769 1 93 ASP HB3 1 94 HIS H . . 4.640 4.123 3.439 4.505 . 0 0 "[ . 1 . 2]" 1
1770 1 94 HIS H 1 94 HIS HB2 . . 3.890 2.302 2.206 2.543 . 0 0 "[ . 1 . 2]" 1
1771 1 94 HIS H 1 95 GLU H . . 4.950 4.278 4.143 4.503 . 0 0 "[ . 1 . 2]" 1
1772 1 94 HIS HA 1 94 HIS HD2 . . 5.080 3.645 3.237 4.493 . 0 0 "[ . 1 . 2]" 1
1773 1 94 HIS HA 1 95 GLU H . . 2.880 2.184 2.142 2.630 . 0 0 "[ . 1 . 2]" 1
1774 1 94 HIS HB2 1 95 GLU H . . 4.560 4.460 3.097 4.575 0.015 20 0 "[ . 1 . 2]" 1
1775 1 94 HIS HB2 1 96 PHE QE . . 3.720 2.493 2.001 2.833 . 0 0 "[ . 1 . 2]" 1
1776 1 94 HIS HB3 1 94 HIS HD2 . . 3.960 2.791 2.697 3.833 . 0 0 "[ . 1 . 2]" 1
1777 1 94 HIS HB3 1 95 GLU H . . 3.970 3.677 2.053 3.870 . 0 0 "[ . 1 . 2]" 1
1778 1 94 HIS HB3 1 96 PHE QE . . 3.860 2.377 2.134 2.963 . 0 0 "[ . 1 . 2]" 1
1779 1 94 HIS HB3 1 96 PHE HZ . . 4.450 3.015 2.566 3.872 . 0 0 "[ . 1 . 2]" 1
1780 1 94 HIS HD2 1 95 GLU H . . 5.500 5.027 4.699 5.622 0.122 18 0 "[ . 1 . 2]" 1
1781 1 95 GLU H 1 95 GLU QB . . 3.290 2.216 2.157 2.480 . 0 0 "[ . 1 . 2]" 1
1782 1 95 GLU H 1 95 GLU HG2 . . 4.600 4.421 4.180 4.643 0.043 18 0 "[ . 1 . 2]" 1
1783 1 95 GLU H 1 95 GLU QG . . 3.960 3.648 2.902 3.976 0.016 8 0 "[ . 1 . 2]" 1
1784 1 95 GLU H 1 95 GLU HG3 . . 4.600 3.954 2.960 4.547 . 0 0 "[ . 1 . 2]" 1
1785 1 95 GLU H 1 96 PHE H . . 4.840 4.371 4.155 4.593 . 0 0 "[ . 1 . 2]" 1
1786 1 95 GLU H 1 96 PHE QE . . 5.500 5.401 4.217 5.507 0.007 16 0 "[ . 1 . 2]" 1
1787 1 95 GLU HA 1 95 GLU QG . . 3.730 2.309 2.136 2.525 . 0 0 "[ . 1 . 2]" 1
1788 1 95 GLU HA 1 96 PHE H . . 2.880 2.155 2.140 2.188 . 0 0 "[ . 1 . 2]" 1
1789 1 95 GLU QB 1 96 PHE H . . 3.930 3.751 3.095 3.925 . 0 0 "[ . 1 . 2]" 1
1790 1 95 GLU QB 1 96 PHE HA . . 5.250 4.355 3.969 4.619 . 0 0 "[ . 1 . 2]" 1
1791 1 95 GLU HG2 1 96 PHE H . . 4.580 3.777 2.974 4.593 0.013 11 0 "[ . 1 . 2]" 1
1792 1 95 GLU HG3 1 96 PHE H . . 4.580 4.173 3.606 4.584 0.004 14 0 "[ . 1 . 2]" 1
1793 1 96 PHE H 1 96 PHE HB2 . . 3.630 2.541 2.460 2.785 . 0 0 "[ . 1 . 2]" 1
1794 1 96 PHE H 1 96 PHE HB3 . . 4.080 3.716 3.669 3.857 . 0 0 "[ . 1 . 2]" 1
1795 1 96 PHE H 1 96 PHE QD . . 4.030 3.528 3.158 3.719 . 0 0 "[ . 1 . 2]" 1
1796 1 96 PHE H 1 97 ARG H . . 4.730 4.473 4.387 4.504 . 0 0 "[ . 1 . 2]" 1
1797 1 96 PHE HA 1 96 PHE QD . . 3.550 2.317 2.082 2.775 . 0 0 "[ . 1 . 2]" 1
1798 1 96 PHE HA 1 97 ARG H . . 2.910 2.286 2.205 2.400 . 0 0 "[ . 1 . 2]" 1
1799 1 96 PHE HA 1 97 ARG HB2 . . 4.740 4.200 4.055 4.433 . 0 0 "[ . 1 . 2]" 1
1800 1 96 PHE HB2 1 97 ARG H . . 4.050 3.954 3.730 4.097 0.047 18 0 "[ . 1 . 2]" 1
1801 1 96 PHE HB3 1 97 ARG H . . 3.670 2.751 2.439 3.010 . 0 0 "[ . 1 . 2]" 1
1802 1 96 PHE QD 1 97 ARG H . . 4.130 3.389 3.235 3.746 . 0 0 "[ . 1 . 2]" 1
1803 1 97 ARG H 1 97 ARG HB2 . . 3.750 2.989 2.804 3.271 . 0 0 "[ . 1 . 2]" 1
1804 1 97 ARG H 1 97 ARG HB3 . . 3.820 2.862 2.696 3.022 . 0 0 "[ . 1 . 2]" 1
1805 1 97 ARG HA 1 97 ARG QD . . 4.570 3.977 3.664 4.191 . 0 0 "[ . 1 . 2]" 1
1806 1 97 ARG HA 1 97 ARG HG2 . . 4.040 3.055 2.698 3.373 . 0 0 "[ . 1 . 2]" 1
1807 1 97 ARG HA 1 97 ARG QG . . 3.480 2.310 2.142 2.466 . 0 0 "[ . 1 . 2]" 1
1808 1 97 ARG HA 1 97 ARG HG3 . . 4.040 2.407 2.179 2.653 . 0 0 "[ . 1 . 2]" 1
1809 1 97 ARG HA 1 98 THR H . . 2.980 2.180 2.141 2.263 . 0 0 "[ . 1 . 2]" 1
1810 1 97 ARG HA 1 98 THR MG . . 4.550 3.800 3.574 3.999 . 0 0 "[ . 1 . 2]" 1
1811 1 97 ARG HB2 1 97 ARG QD . . 3.450 2.459 2.204 2.884 . 0 0 "[ . 1 . 2]" 1
1812 1 97 ARG HB2 1 98 THR H . . 4.530 4.262 4.079 4.404 . 0 0 "[ . 1 . 2]" 1
1813 1 97 ARG HB3 1 97 ARG QD . . 3.440 2.680 2.293 3.168 . 0 0 "[ . 1 . 2]" 1
1814 1 97 ARG HB3 1 98 THR H . . 4.270 3.944 3.739 4.127 . 0 0 "[ . 1 . 2]" 1
1815 1 97 ARG QD 1 98 THR H . . 5.090 4.648 4.374 4.934 . 0 0 "[ . 1 . 2]" 1
1816 1 97 ARG HG2 1 98 THR H . . 3.980 2.958 2.401 3.523 . 0 0 "[ . 1 . 2]" 1
1817 1 97 ARG HG3 1 98 THR H . . 3.980 3.084 2.609 3.571 . 0 0 "[ . 1 . 2]" 1
1818 1 98 THR H 1 98 THR HG1 . . 4.000 3.352 2.644 3.568 . 0 0 "[ . 1 . 2]" 1
1819 1 98 THR H 1 98 THR MG . . 3.520 2.536 2.137 2.728 . 0 0 "[ . 1 . 2]" 1
1820 1 98 THR HA 1 98 THR MG . . 3.250 2.308 2.167 2.453 . 0 0 "[ . 1 . 2]" 1
1821 1 98 THR HA 1 99 SER H . . 3.170 2.390 2.231 2.628 . 0 0 "[ . 1 . 2]" 1
1822 1 98 THR HB 1 99 SER H . . 3.580 2.443 1.935 2.875 . 0 0 "[ . 1 . 2]" 1
1823 1 98 THR HB 1 99 SER QB . . 4.730 3.987 3.783 4.172 . 0 0 "[ . 1 . 2]" 1
1824 1 98 THR HG1 1 98 THR MG . . 3.280 2.529 2.072 3.049 . 0 0 "[ . 1 . 2]" 1
1825 1 98 THR MG 1 99 SER H . . 4.230 3.578 3.407 3.748 . 0 0 "[ . 1 . 2]" 1
1826 1 99 SER H 1 99 SER HB2 . . 4.050 2.377 2.185 3.036 . 0 0 "[ . 1 . 2]" 1
1827 1 99 SER H 1 99 SER QB . . 3.390 2.205 2.137 2.280 . 0 0 "[ . 1 . 2]" 1
1828 1 99 SER H 1 99 SER HB3 . . 4.050 2.885 2.184 3.561 . 0 0 "[ . 1 . 2]" 1
1829 1 99 SER HA 1 100 PRO HD2 . . 3.190 2.255 2.103 2.392 . 0 0 "[ . 1 . 2]" 1
1830 1 99 SER HA 1 100 PRO HD3 . . 3.050 2.261 2.251 2.295 . 0 0 "[ . 1 . 2]" 1
1831 1 99 SER HA 1 100 PRO QG . . 4.370 3.915 3.833 3.996 . 0 0 "[ . 1 . 2]" 1
1832 1 99 SER QB 1 100 PRO HD2 . . 3.480 3.063 2.182 3.469 . 0 0 "[ . 1 . 2]" 1
1833 1 99 SER QB 1 100 PRO HD3 . . 4.680 4.029 3.515 4.261 . 0 0 "[ . 1 . 2]" 1
1834 1 99 SER HB2 1 100 PRO HD2 . . 4.030 3.701 3.146 3.883 . 0 0 "[ . 1 . 2]" 1
1835 1 99 SER HB3 1 100 PRO HD2 . . 4.030 3.424 2.196 4.096 0.066 15 0 "[ . 1 . 2]" 1
1836 1 100 PRO HA 1 101 PRO HD2 . . 3.330 2.229 2.079 2.355 . 0 0 "[ . 1 . 2]" 1
1837 1 100 PRO HA 1 101 PRO HD3 . . 2.920 2.267 2.262 2.290 . 0 0 "[ . 1 . 2]" 1
1838 1 100 PRO HA 1 101 PRO QG . . 4.420 3.905 3.827 3.978 . 0 0 "[ . 1 . 2]" 1
1839 1 100 PRO QB 1 101 PRO HD3 . . 4.270 3.674 3.491 3.902 . 0 0 "[ . 1 . 2]" 1
1840 1 100 PRO HB2 1 101 PRO HD2 . . 3.600 2.780 2.479 3.170 . 0 0 "[ . 1 . 2]" 1
1841 1 100 PRO HB3 1 101 PRO HD2 . . 3.600 3.110 2.932 3.360 . 0 0 "[ . 1 . 2]" 1
1842 1 101 PRO HB2 1 102 SER HA . . 5.090 4.524 4.094 4.750 . 0 0 "[ . 1 . 2]" 1
1843 1 101 PRO HB2 1 102 SER QB . . 4.420 3.940 3.170 4.393 . 0 0 "[ . 1 . 2]" 1
1844 1 101 PRO HB3 1 102 SER H . . 4.610 3.687 3.297 4.361 . 0 0 "[ . 1 . 2]" 1
1845 1 101 PRO QG 1 102 SER H . . 4.410 3.379 1.894 4.339 . 0 0 "[ . 1 . 2]" 1
1846 1 103 GLY QA 1 104 PRO QD . . 2.760 1.948 1.848 2.169 . 0 0 "[ . 1 . 2]" 1
1847 1 103 GLY QA 1 104 PRO QG . . 4.080 3.704 3.642 3.967 . 0 0 "[ . 1 . 2]" 1
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