NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
463061 |
2exd   |
10118 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2exd
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 1472
_Distance_constraint_stats_list.Viol_count 1041
_Distance_constraint_stats_list.Viol_total 284.525
_Distance_constraint_stats_list.Viol_max 0.155
_Distance_constraint_stats_list.Viol_rms 0.0044
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0137
_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 1 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 0.219 0.110 5 0 "[ . 1 . 2]"
1 4 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 THR 0.006 0.005 9 0 "[ . 1 . 2]"
1 6 ASP 0.006 0.006 8 0 "[ . 1 . 2]"
1 7 ILE 0.003 0.002 20 0 "[ . 1 . 2]"
1 8 GLY 0.002 0.002 20 0 "[ . 1 . 2]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLY 0.083 0.075 17 0 "[ . 1 . 2]"
1 11 LYS 0.243 0.155 17 0 "[ . 1 . 2]"
1 12 TYR 0.734 0.155 17 0 "[ . 1 . 2]"
1 13 THR 0.522 0.125 17 0 "[ . 1 . 2]"
1 14 PHE 0.565 0.052 14 0 "[ . 1 . 2]"
1 15 GLU 0.634 0.048 1 0 "[ . 1 . 2]"
1 16 LEU 0.293 0.044 9 0 "[ . 1 . 2]"
1 17 LYS 0.544 0.057 18 0 "[ . 1 . 2]"
1 18 GLY 0.272 0.058 12 0 "[ . 1 . 2]"
1 19 LYS 0.187 0.052 12 0 "[ . 1 . 2]"
1 20 VAL 0.360 0.055 12 0 "[ . 1 . 2]"
1 21 GLY 0.023 0.012 4 0 "[ . 1 . 2]"
1 22 LYS 0.285 0.026 4 0 "[ . 1 . 2]"
1 23 VAL 2.578 0.132 10 0 "[ . 1 . 2]"
1 24 VAL 0.109 0.046 1 0 "[ . 1 . 2]"
1 25 LYS 0.244 0.054 18 0 "[ . 1 . 2]"
1 26 ILE 0.172 0.054 18 0 "[ . 1 . 2]"
1 27 ALA 0.285 0.023 9 0 "[ . 1 . 2]"
1 28 GLU 0.064 0.018 9 0 "[ . 1 . 2]"
1 29 ASP 0.044 0.020 9 0 "[ . 1 . 2]"
1 30 HIS 0.194 0.022 3 0 "[ . 1 . 2]"
1 31 TYR 0.508 0.036 9 0 "[ . 1 . 2]"
1 32 LEU 0.175 0.033 1 0 "[ . 1 . 2]"
1 33 VAL 0.099 0.036 9 0 "[ . 1 . 2]"
1 34 GLU 0.378 0.032 20 0 "[ . 1 . 2]"
1 35 VAL 0.281 0.035 9 0 "[ . 1 . 2]"
1 36 GLU 0.104 0.020 1 0 "[ . 1 . 2]"
1 37 GLY 0.022 0.022 9 0 "[ . 1 . 2]"
1 38 ASP 0.121 0.032 20 0 "[ . 1 . 2]"
1 39 LYS 0.212 0.046 1 0 "[ . 1 . 2]"
1 40 TRP 0.411 0.032 18 0 "[ . 1 . 2]"
1 41 ILE 0.332 0.028 9 0 "[ . 1 . 2]"
1 42 ALA 0.260 0.033 13 0 "[ . 1 . 2]"
1 43 TYR 0.595 0.051 6 0 "[ . 1 . 2]"
1 44 SER 0.184 0.023 4 0 "[ . 1 . 2]"
1 45 ASP 0.182 0.060 13 0 "[ . 1 . 2]"
1 46 GLU 0.312 0.086 13 0 "[ . 1 . 2]"
1 47 LYS 0.465 0.086 13 0 "[ . 1 . 2]"
1 48 LEU 0.599 0.073 14 0 "[ . 1 . 2]"
1 49 SER 0.641 0.049 6 0 "[ . 1 . 2]"
1 50 LEU 0.308 0.091 19 0 "[ . 1 . 2]"
1 51 GLY 0.425 0.029 10 0 "[ . 1 . 2]"
1 52 ASP 1.926 0.132 10 0 "[ . 1 . 2]"
1 53 ARG 1.248 0.134 18 0 "[ . 1 . 2]"
1 54 VAL 0.225 0.026 4 0 "[ . 1 . 2]"
1 55 MET 0.439 0.058 12 0 "[ . 1 . 2]"
1 56 VAL 0.357 0.055 12 0 "[ . 1 . 2]"
1 57 VAL 0.403 0.029 18 0 "[ . 1 . 2]"
1 58 ASP 0.684 0.095 20 0 "[ . 1 . 2]"
1 59 VAL 1.173 0.145 16 0 "[ . 1 . 2]"
1 60 ASP 0.253 0.055 16 0 "[ . 1 . 2]"
1 61 GLY 0.119 0.043 5 0 "[ . 1 . 2]"
1 62 LEU 0.079 0.015 4 0 "[ . 1 . 2]"
1 63 LYS 0.707 0.104 15 0 "[ . 1 . 2]"
1 64 LEU 1.052 0.145 16 0 "[ . 1 . 2]"
1 65 LYS 0.506 0.045 15 0 "[ . 1 . 2]"
1 66 VAL 0.203 0.034 15 0 "[ . 1 . 2]"
1 67 LYS 0.111 0.019 15 0 "[ . 1 . 2]"
1 68 ARG 0.240 0.034 19 0 "[ . 1 . 2]"
1 69 ILE 0.060 0.008 14 0 "[ . 1 . 2]"
1 70 PRO 0.158 0.019 4 0 "[ . 1 . 2]"
1 71 PRO 0.146 0.047 12 0 "[ . 1 . 2]"
1 72 GLN 0.306 0.070 17 0 "[ . 1 . 2]"
1 73 LEU 0.377 0.070 17 0 "[ . 1 . 2]"
1 74 GLU 0.256 0.062 6 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 36 GLU H 1 40 TRP HE1 . . 5.500 5.464 5.191 5.517 0.017 19 0 "[ . 1 . 2]" 1
2 1 35 VAL H 1 40 TRP HE1 . . 4.200 3.556 3.308 3.768 . 0 0 "[ . 1 . 2]" 1
3 1 38 ASP HB2 1 40 TRP HE1 . . 3.660 2.837 2.370 3.438 . 0 0 "[ . 1 . 2]" 1
4 1 38 ASP HB3 1 40 TRP HE1 . . 4.530 3.246 2.082 3.600 . 0 0 "[ . 1 . 2]" 1
5 1 35 VAL HB 1 40 TRP HE1 . . 3.580 2.139 1.897 2.462 . 0 0 "[ . 1 . 2]" 1
6 1 35 VAL MG1 1 40 TRP HE1 . . 4.050 3.288 3.057 3.570 . 0 0 "[ . 1 . 2]" 1
7 1 35 VAL MG2 1 40 TRP HE1 . . 4.220 3.605 3.345 3.911 . 0 0 "[ . 1 . 2]" 1
8 1 16 LEU MD1 1 40 TRP HE1 . . 4.960 2.270 1.886 2.629 . 0 0 "[ . 1 . 2]" 1
9 1 16 LEU MD2 1 40 TRP HE1 . . 4.960 4.275 3.876 4.558 . 0 0 "[ . 1 . 2]" 1
10 1 35 VAL HA 1 36 GLU H . . 3.080 2.156 2.141 2.188 . 0 0 "[ . 1 . 2]" 1
11 1 36 GLU H 1 36 GLU HB2 . . 4.110 3.409 3.189 3.933 . 0 0 "[ . 1 . 2]" 1
12 1 36 GLU H 1 36 GLU QG . . 4.150 2.954 2.400 3.674 . 0 0 "[ . 1 . 2]" 1
13 1 36 GLU H 1 36 GLU HB3 . . 4.110 3.946 2.983 4.104 . 0 0 "[ . 1 . 2]" 1
14 1 35 VAL HB 1 36 GLU H . . 4.610 4.147 3.947 4.316 . 0 0 "[ . 1 . 2]" 1
15 1 35 VAL MG1 1 36 GLU H . . 3.800 2.501 2.136 2.919 . 0 0 "[ . 1 . 2]" 1
16 1 35 VAL H 1 40 TRP HD1 . . 3.850 2.110 1.900 2.346 . 0 0 "[ . 1 . 2]" 1
17 1 34 GLU HA 1 35 VAL H . . 3.090 2.160 2.139 2.188 . 0 0 "[ . 1 . 2]" 1
18 1 35 VAL H 1 39 LYS HA . . 3.970 3.451 3.202 3.721 . 0 0 "[ . 1 . 2]" 1
19 1 35 VAL H 1 38 ASP HB2 . . 5.500 4.022 3.685 4.717 . 0 0 "[ . 1 . 2]" 1
20 1 35 VAL H 1 40 TRP HB2 . . 5.500 4.265 3.884 4.705 . 0 0 "[ . 1 . 2]" 1
21 1 35 VAL H 1 38 ASP HB3 . . 4.900 4.481 3.660 4.722 . 0 0 "[ . 1 . 2]" 1
22 1 35 VAL H 1 35 VAL HB . . 3.880 2.650 2.565 2.742 . 0 0 "[ . 1 . 2]" 1
23 1 35 VAL H 1 39 LYS HG2 . . 5.500 5.361 4.906 5.535 0.035 9 0 "[ . 1 . 2]" 1
24 1 35 VAL H 1 35 VAL MG1 . . 4.790 3.853 3.819 3.895 . 0 0 "[ . 1 . 2]" 1
25 1 34 GLU H 1 54 VAL MG2 . . 5.500 5.072 4.738 5.408 . 0 0 "[ . 1 . 2]" 1
26 1 35 VAL H 1 36 GLU H . . 4.810 4.375 4.235 4.479 . 0 0 "[ . 1 . 2]" 1
27 1 33 VAL H 1 34 GLU H . . 4.760 4.345 4.223 4.515 . 0 0 "[ . 1 . 2]" 1
28 1 24 VAL H 1 34 GLU H . . 4.350 3.168 2.786 3.582 . 0 0 "[ . 1 . 2]" 1
29 1 22 LYS HA 1 34 GLU H . . 5.030 4.819 4.616 5.027 . 0 0 "[ . 1 . 2]" 1
30 1 33 VAL HA 1 34 GLU H . . 3.240 2.161 2.141 2.303 . 0 0 "[ . 1 . 2]" 1
31 1 24 VAL MG1 1 34 GLU H . . 3.970 2.876 2.396 3.514 . 0 0 "[ . 1 . 2]" 1
32 1 24 VAL MG2 1 34 GLU H . . 3.970 3.246 2.274 3.864 . 0 0 "[ . 1 . 2]" 1
33 1 22 LYS QG 1 34 GLU H . . 5.500 5.300 5.044 5.484 . 0 0 "[ . 1 . 2]" 1
34 1 34 GLU H 1 34 GLU HB3 . . 3.560 2.425 2.279 2.573 . 0 0 "[ . 1 . 2]" 1
35 1 34 GLU H 1 34 GLU HB2 . . 3.950 2.829 2.636 3.085 . 0 0 "[ . 1 . 2]" 1
36 1 33 VAL HB 1 34 GLU H . . 4.240 3.916 3.441 4.148 . 0 0 "[ . 1 . 2]" 1
37 1 57 VAL H 1 67 LYS H . . 4.370 4.045 3.597 4.372 0.002 6 0 "[ . 1 . 2]" 1
38 1 57 VAL H 1 65 LYS H . . 4.880 4.485 3.752 4.909 0.029 18 0 "[ . 1 . 2]" 1
39 1 57 VAL H 1 66 VAL HA . . 3.650 2.958 2.654 3.127 . 0 0 "[ . 1 . 2]" 1
40 1 57 VAL H 1 58 ASP HA . . 5.230 4.955 4.674 5.177 . 0 0 "[ . 1 . 2]" 1
41 1 56 VAL HA 1 57 VAL H . . 3.230 2.157 2.140 2.215 . 0 0 "[ . 1 . 2]" 1
42 1 57 VAL H 1 66 VAL HB . . 5.500 5.353 5.054 5.514 0.014 16 0 "[ . 1 . 2]" 1
43 1 56 VAL QG 1 57 VAL H . . 3.460 2.833 2.507 3.237 . 0 0 "[ . 1 . 2]" 1
44 1 57 VAL H 1 66 VAL MG2 . . 5.500 5.418 5.088 5.519 0.019 4 0 "[ . 1 . 2]" 1
45 1 57 VAL H 1 67 LYS QG . . 5.140 4.258 3.755 4.848 . 0 0 "[ . 1 . 2]" 1
46 1 57 VAL H 1 65 LYS QG . . 5.500 5.022 3.648 5.520 0.020 13 0 "[ . 1 . 2]" 1
47 1 35 VAL H 1 40 TRP H . . 4.400 4.075 3.411 4.337 . 0 0 "[ . 1 . 2]" 1
48 1 33 VAL H 1 40 TRP H . . 3.810 2.766 2.438 3.006 . 0 0 "[ . 1 . 2]" 1
49 1 39 LYS H 1 40 TRP H . . 4.830 4.586 4.446 4.638 . 0 0 "[ . 1 . 2]" 1
50 1 40 TRP H 1 40 TRP HD1 . . 3.960 3.430 2.836 3.724 . 0 0 "[ . 1 . 2]" 1
51 1 32 LEU HA 1 40 TRP H . . 4.430 4.006 3.745 4.345 . 0 0 "[ . 1 . 2]" 1
52 1 34 GLU HA 1 40 TRP H . . 4.080 3.435 3.110 3.592 . 0 0 "[ . 1 . 2]" 1
53 1 39 LYS HA 1 40 TRP H . . 3.080 2.201 2.140 2.270 . 0 0 "[ . 1 . 2]" 1
54 1 40 TRP H 1 40 TRP HB3 . . 4.010 3.750 3.639 3.831 . 0 0 "[ . 1 . 2]" 1
55 1 40 TRP H 1 40 TRP HB2 . . 3.770 2.605 2.409 2.739 . 0 0 "[ . 1 . 2]" 1
56 1 33 VAL MG2 1 40 TRP H . . 5.260 4.248 3.991 4.467 . 0 0 "[ . 1 . 2]" 1
57 1 35 VAL MG2 1 40 TRP H . . 4.610 4.277 3.700 4.608 . 0 0 "[ . 1 . 2]" 1
58 1 34 GLU QG 1 40 TRP H . . 5.500 5.473 5.202 5.509 0.009 7 0 "[ . 1 . 2]" 1
59 1 34 GLU HB2 1 40 TRP H . . 5.330 5.153 4.834 5.333 0.003 11 0 "[ . 1 . 2]" 1
60 1 33 VAL HB 1 40 TRP H . . 4.720 3.834 3.605 4.234 . 0 0 "[ . 1 . 2]" 1
61 1 39 LYS HB2 1 40 TRP H . . 5.070 4.106 3.826 4.511 . 0 0 "[ . 1 . 2]" 1
62 1 39 LYS HB3 1 40 TRP H . . 3.990 3.085 2.802 3.636 . 0 0 "[ . 1 . 2]" 1
63 1 32 LEU HB3 1 40 TRP H . . 5.500 4.928 4.462 5.513 0.013 9 0 "[ . 1 . 2]" 1
64 1 39 LYS HG2 1 40 TRP H . . 4.570 4.181 3.598 4.543 . 0 0 "[ . 1 . 2]" 1
65 1 40 TRP HZ3 1 41 ILE H . . 5.500 5.250 5.060 5.508 0.008 4 0 "[ . 1 . 2]" 1
66 1 40 TRP HA 1 41 ILE H . . 3.300 2.481 2.249 2.583 . 0 0 "[ . 1 . 2]" 1
67 1 44 SER HA 1 45 ASP H . . 2.940 2.164 2.137 2.233 . 0 0 "[ . 1 . 2]" 1
68 1 44 SER HB2 1 45 ASP H . . 4.530 4.059 3.138 4.483 . 0 0 "[ . 1 . 2]" 1
69 1 44 SER HB3 1 45 ASP H . . 4.530 4.034 2.897 4.382 . 0 0 "[ . 1 . 2]" 1
70 1 45 ASP H 1 45 ASP HB2 . . 3.600 2.615 2.252 3.578 . 0 0 "[ . 1 . 2]" 1
71 1 41 ILE H 1 64 LEU HG . . 5.500 4.539 3.790 5.512 0.012 15 0 "[ . 1 . 2]" 1
72 1 41 ILE H 1 41 ILE MD . . 3.790 2.513 1.884 3.807 0.017 7 0 "[ . 1 . 2]" 1
73 1 41 ILE H 1 41 ILE HG13 . . 4.300 3.652 2.826 4.192 . 0 0 "[ . 1 . 2]" 1
74 1 41 ILE H 1 41 ILE HG12 . . 4.300 3.960 2.597 4.320 0.020 15 0 "[ . 1 . 2]" 1
75 1 41 ILE H 1 41 ILE HB . . 3.260 2.587 2.460 2.673 . 0 0 "[ . 1 . 2]" 1
76 1 40 TRP HB3 1 41 ILE H . . 3.920 2.277 2.052 2.854 . 0 0 "[ . 1 . 2]" 1
77 1 42 ALA HA 1 64 LEU H . . 3.550 3.024 2.630 3.550 0.000 20 0 "[ . 1 . 2]" 1
78 1 63 LYS HA 1 64 LEU H . . 3.090 2.244 2.141 2.575 . 0 0 "[ . 1 . 2]" 1
79 1 40 TRP HB3 1 64 LEU H . . 5.030 4.140 3.769 4.628 . 0 0 "[ . 1 . 2]" 1
80 1 40 TRP HB2 1 64 LEU H . . 5.500 5.357 5.079 5.511 0.011 15 0 "[ . 1 . 2]" 1
81 1 64 LEU H 1 64 LEU MD1 . . 4.250 3.065 1.834 4.232 . 0 0 "[ . 1 . 2]" 1
82 1 41 ILE MG 1 64 LEU H . . 5.390 5.016 4.436 5.388 . 0 0 "[ . 1 . 2]" 1
83 1 59 VAL MG1 1 64 LEU H . . 5.500 4.946 4.234 5.600 0.100 15 0 "[ . 1 . 2]" 1
84 1 56 VAL QG 1 64 LEU H . . 5.020 4.449 4.032 4.825 . 0 0 "[ . 1 . 2]" 1
85 1 59 VAL MG2 1 64 LEU H . . 5.500 4.620 3.104 5.645 0.145 16 0 "[ . 1 . 2]" 1
86 1 42 ALA MB 1 64 LEU H . . 4.040 3.036 2.240 3.669 . 0 0 "[ . 1 . 2]" 1
87 1 64 LEU H 1 64 LEU HG . . 4.080 2.672 1.890 3.949 . 0 0 "[ . 1 . 2]" 1
88 1 67 LYS HA 1 68 ARG H . . 3.030 2.180 2.141 2.297 . 0 0 "[ . 1 . 2]" 1
89 1 68 ARG H 1 68 ARG QD . . 4.570 4.375 4.188 4.604 0.034 19 0 "[ . 1 . 2]" 1
90 1 68 ARG H 1 68 ARG HB2 . . 3.370 2.682 2.466 2.916 . 0 0 "[ . 1 . 2]" 1
91 1 68 ARG H 1 68 ARG HB3 . . 3.370 2.382 2.191 2.589 . 0 0 "[ . 1 . 2]" 1
92 1 67 LYS QG 1 68 ARG H . . 4.200 3.878 3.502 4.199 . 0 0 "[ . 1 . 2]" 1
93 1 48 LEU MD2 1 68 ARG H . . 4.040 3.422 3.085 3.754 . 0 0 "[ . 1 . 2]" 1
94 1 54 VAL MG1 1 68 ARG H . . 4.410 3.590 3.117 4.154 . 0 0 "[ . 1 . 2]" 1
95 1 48 LEU MD1 1 68 ARG H . . 5.160 4.877 4.455 5.150 . 0 0 "[ . 1 . 2]" 1
96 1 68 ARG H 1 69 ILE MG . . 4.980 4.562 4.286 4.735 . 0 0 "[ . 1 . 2]" 1
97 1 32 LEU HA 1 33 VAL H . . 3.080 2.157 2.139 2.174 . 0 0 "[ . 1 . 2]" 1
98 1 33 VAL H 1 41 ILE HA . . 4.780 4.015 3.613 4.287 . 0 0 "[ . 1 . 2]" 1
99 1 33 VAL H 1 40 TRP HB2 . . 4.930 3.635 3.463 3.884 . 0 0 "[ . 1 . 2]" 1
100 1 33 VAL H 1 33 VAL HB . . 3.650 2.942 2.836 3.014 . 0 0 "[ . 1 . 2]" 1
101 1 32 LEU HG 1 33 VAL H . . 5.500 5.234 3.661 5.512 0.012 1 0 "[ . 1 . 2]" 1
102 1 33 VAL H 1 39 LYS HB3 . . 5.500 4.610 4.014 5.134 . 0 0 "[ . 1 . 2]" 1
103 1 32 LEU HB3 1 33 VAL H . . 4.430 3.760 3.503 4.212 . 0 0 "[ . 1 . 2]" 1
104 1 33 VAL H 1 33 VAL MG2 . . 3.540 2.338 2.247 2.444 . 0 0 "[ . 1 . 2]" 1
105 1 33 VAL H 1 33 VAL MG1 . . 4.030 3.887 3.859 3.928 . 0 0 "[ . 1 . 2]" 1
106 1 31 TYR H 1 32 LEU H . . 4.610 4.517 4.457 4.559 . 0 0 "[ . 1 . 2]" 1
107 1 31 TYR H 1 43 TYR HD1 . . 5.500 5.010 4.374 5.442 . 0 0 "[ . 1 . 2]" 1
108 1 30 HIS HD2 1 31 TYR H . . 4.230 3.732 2.172 4.174 . 0 0 "[ . 1 . 2]" 1
109 1 30 HIS HA 1 31 TYR H . . 3.410 2.369 2.244 2.646 . 0 0 "[ . 1 . 2]" 1
110 1 31 TYR H 1 41 ILE HA . . 4.620 4.266 4.087 4.623 0.003 9 0 "[ . 1 . 2]" 1
111 1 31 TYR H 1 31 TYR HB3 . . 3.930 3.717 3.624 3.778 . 0 0 "[ . 1 . 2]" 1
112 1 30 HIS HB2 1 31 TYR H . . 3.990 2.656 2.153 3.711 . 0 0 "[ . 1 . 2]" 1
113 1 30 HIS HB3 1 31 TYR H . . 3.990 3.847 2.612 3.999 0.009 9 0 "[ . 1 . 2]" 1
114 1 31 TYR H 1 31 TYR HB2 . . 3.800 2.582 2.391 2.690 . 0 0 "[ . 1 . 2]" 1
115 1 31 TYR H 1 42 ALA MB . . 4.400 4.354 4.220 4.425 0.025 9 0 "[ . 1 . 2]" 1
116 1 26 ILE MG 1 31 TYR H . . 5.410 5.281 4.924 5.423 0.013 19 0 "[ . 1 . 2]" 1
117 1 27 ALA MB 1 31 TYR H . . 5.200 4.778 4.582 4.900 . 0 0 "[ . 1 . 2]" 1
118 1 55 MET H 1 66 VAL HA . . 4.510 4.231 3.822 4.512 0.002 19 0 "[ . 1 . 2]" 1
119 1 54 VAL HA 1 55 MET H . . 3.170 2.277 2.176 2.412 . 0 0 "[ . 1 . 2]" 1
120 1 20 VAL HA 1 55 MET H . . 5.010 4.652 4.536 4.742 . 0 0 "[ . 1 . 2]" 1
121 1 55 MET H 1 68 ARG HA . . 4.810 4.472 4.142 4.668 . 0 0 "[ . 1 . 2]" 1
122 1 55 MET H 1 55 MET HG2 . . 4.740 4.428 4.259 4.584 . 0 0 "[ . 1 . 2]" 1
123 1 55 MET H 1 66 VAL HB . . 4.340 4.025 3.385 4.344 0.004 20 0 "[ . 1 . 2]" 1
124 1 55 MET H 1 69 ILE MG . . 4.090 2.548 2.077 2.923 . 0 0 "[ . 1 . 2]" 1
125 1 54 VAL MG1 1 55 MET H . . 4.040 3.821 3.626 3.970 . 0 0 "[ . 1 . 2]" 1
126 1 54 VAL HB 1 55 MET H . . 3.490 2.734 2.368 3.103 . 0 0 "[ . 1 . 2]" 1
127 1 55 MET H 1 55 MET HB3 . . 3.700 2.587 2.434 2.677 . 0 0 "[ . 1 . 2]" 1
128 1 43 TYR H 1 66 VAL H . . 4.350 3.908 3.402 4.348 . 0 0 "[ . 1 . 2]" 1
129 1 42 ALA HA 1 43 TYR H . . 3.160 2.390 2.278 2.454 . 0 0 "[ . 1 . 2]" 1
130 1 43 TYR H 1 65 LYS HA . . 3.790 3.102 2.652 3.670 . 0 0 "[ . 1 . 2]" 1
131 1 43 TYR H 1 43 TYR HB2 . . 4.130 3.777 3.670 3.848 . 0 0 "[ . 1 . 2]" 1
132 1 43 TYR H 1 43 TYR HB3 . . 4.130 3.346 3.197 3.520 . 0 0 "[ . 1 . 2]" 1
133 1 33 VAL MG2 1 43 TYR H . . 5.450 4.985 4.769 5.188 . 0 0 "[ . 1 . 2]" 1
134 1 41 ILE MG 1 43 TYR H . . 5.500 5.081 4.799 5.266 . 0 0 "[ . 1 . 2]" 1
135 1 43 TYR H 1 66 VAL MG1 . . 4.930 4.529 3.945 4.929 . 0 0 "[ . 1 . 2]" 1
136 1 43 TYR H 1 66 VAL MG2 . . 4.560 3.942 3.362 4.564 0.004 19 0 "[ . 1 . 2]" 1
137 1 42 ALA MB 1 43 TYR H . . 3.460 2.443 2.299 2.651 . 0 0 "[ . 1 . 2]" 1
138 1 24 VAL H 1 32 LEU H . . 5.460 5.060 4.700 5.410 . 0 0 "[ . 1 . 2]" 1
139 1 24 VAL H 1 33 VAL HA . . 3.730 2.796 2.539 3.023 . 0 0 "[ . 1 . 2]" 1
140 1 23 VAL HA 1 24 VAL H . . 3.250 2.179 2.140 2.299 . 0 0 "[ . 1 . 2]" 1
141 1 23 VAL HB 1 24 VAL H . . 4.950 3.759 3.248 4.509 . 0 0 "[ . 1 . 2]" 1
142 1 24 VAL H 1 25 LYS HB2 . . 5.500 4.995 4.596 5.314 . 0 0 "[ . 1 . 2]" 1
143 1 24 VAL H 1 32 LEU HB3 . . 4.740 3.939 3.364 4.375 . 0 0 "[ . 1 . 2]" 1
144 1 24 VAL H 1 24 VAL MG1 . . 3.850 2.518 2.213 2.890 . 0 0 "[ . 1 . 2]" 1
145 1 23 VAL MG1 1 24 VAL H . . 4.520 3.873 2.932 4.150 . 0 0 "[ . 1 . 2]" 1
146 1 24 VAL H 1 24 VAL MG2 . . 3.850 2.003 1.800 2.148 . 0 0 "[ . 1 . 2]" 1
147 1 24 VAL H 1 33 VAL MG1 . . 4.340 4.014 3.836 4.175 . 0 0 "[ . 1 . 2]" 1
148 1 31 TYR H 1 42 ALA H . . 3.740 3.470 3.266 3.741 0.001 9 0 "[ . 1 . 2]" 1
149 1 26 ILE H 1 32 LEU H . . 5.040 4.554 4.339 4.713 . 0 0 "[ . 1 . 2]" 1
150 1 32 LEU H 1 42 ALA H . . 5.500 5.151 4.809 5.367 . 0 0 "[ . 1 . 2]" 1
151 1 25 LYS H 1 26 ILE H . . 4.630 4.324 4.233 4.388 . 0 0 "[ . 1 . 2]" 1
152 1 30 HIS HD2 1 42 ALA H . . 5.160 4.485 2.154 5.163 0.003 12 0 "[ . 1 . 2]" 1
153 1 32 LEU HA 1 42 ALA H . . 4.130 3.906 3.425 4.135 0.005 13 0 "[ . 1 . 2]" 1
154 1 41 ILE HB 1 42 ALA H . . 4.770 4.456 4.394 4.495 . 0 0 "[ . 1 . 2]" 1
155 1 25 LYS HB2 1 26 ILE H . . 4.260 4.044 3.736 4.177 . 0 0 "[ . 1 . 2]" 1
156 1 26 ILE H 1 26 ILE MG . . 4.410 3.852 3.794 3.909 . 0 0 "[ . 1 . 2]" 1
157 1 26 ILE H 1 27 ALA MB . . 4.800 4.547 4.270 4.813 0.013 3 0 "[ . 1 . 2]" 1
158 1 25 LYS HB3 1 26 ILE H . . 3.660 3.373 2.276 3.664 0.004 11 0 "[ . 1 . 2]" 1
159 1 31 TYR HB2 1 42 ALA H . . 4.650 3.425 3.238 3.669 . 0 0 "[ . 1 . 2]" 1
160 1 25 LYS HG2 1 26 ILE H . . 4.100 2.474 1.899 3.756 . 0 0 "[ . 1 . 2]" 1
161 1 25 LYS HG3 1 26 ILE H . . 4.100 3.227 1.910 4.154 0.054 18 0 "[ . 1 . 2]" 1
162 1 31 TYR HB3 1 42 ALA H . . 4.940 4.699 4.507 4.906 . 0 0 "[ . 1 . 2]" 1
163 1 33 VAL H 1 42 ALA H . . 4.760 3.698 3.340 3.901 . 0 0 "[ . 1 . 2]" 1
164 1 40 TRP H 1 42 ALA H . . 5.500 5.385 5.216 5.506 0.006 7 0 "[ . 1 . 2]" 1
165 1 60 ASP H 1 63 LYS H . . 4.170 3.563 3.184 4.097 . 0 0 "[ . 1 . 2]" 1
166 1 59 VAL HA 1 60 ASP H . . 2.960 2.160 2.139 2.234 . 0 0 "[ . 1 . 2]" 1
167 1 60 ASP H 1 60 ASP HB2 . . 3.810 2.620 2.301 3.286 . 0 0 "[ . 1 . 2]" 1
168 1 60 ASP H 1 60 ASP HB3 . . 3.810 3.060 2.396 3.674 . 0 0 "[ . 1 . 2]" 1
169 1 59 VAL HB 1 60 ASP H . . 4.520 4.110 3.231 4.429 . 0 0 "[ . 1 . 2]" 1
170 1 59 VAL MG1 1 60 ASP H . . 4.220 3.092 1.993 4.275 0.055 16 0 "[ . 1 . 2]" 1
171 1 59 VAL MG2 1 60 ASP H . . 4.220 3.575 2.167 4.228 0.008 5 0 "[ . 1 . 2]" 1
172 1 41 ILE H 1 63 LYS HA . . 4.900 3.710 2.833 4.510 . 0 0 "[ . 1 . 2]" 1
173 1 45 ASP H 1 45 ASP HB3 . . 3.600 3.231 2.310 3.612 0.012 19 0 "[ . 1 . 2]" 1
174 1 55 MET H 1 69 ILE MD . . 4.480 3.323 3.002 3.512 . 0 0 "[ . 1 . 2]" 1
175 1 55 MET H 1 56 VAL QG . . 5.500 5.120 4.941 5.210 . 0 0 "[ . 1 . 2]" 1
176 1 55 MET H 1 66 VAL MG1 . . 5.500 4.724 4.237 4.961 . 0 0 "[ . 1 . 2]" 1
177 1 48 LEU H 1 49 SER H . . 4.720 4.536 4.473 4.590 . 0 0 "[ . 1 . 2]" 1
178 1 47 LYS H 1 48 LEU H . . 4.490 4.374 4.253 4.563 0.073 14 0 "[ . 1 . 2]" 1
179 1 48 LEU H 1 48 LEU MD1 . . 3.980 3.659 3.429 3.960 . 0 0 "[ . 1 . 2]" 1
180 1 48 LEU H 1 48 LEU MD2 . . 3.820 3.278 2.967 3.583 . 0 0 "[ . 1 . 2]" 1
181 1 47 LYS QB 1 48 LEU H . . 3.690 3.497 3.065 3.693 0.003 10 0 "[ . 1 . 2]" 1
182 1 48 LEU H 1 48 LEU HG . . 3.270 2.264 1.911 2.690 . 0 0 "[ . 1 . 2]" 1
183 1 26 ILE MG 1 48 LEU H . . 3.950 3.219 2.758 3.941 . 0 0 "[ . 1 . 2]" 1
184 1 47 LYS HA 1 48 LEU H . . 2.810 2.167 2.141 2.204 . 0 0 "[ . 1 . 2]" 1
185 1 31 TYR HE2 1 48 LEU H . . 3.730 2.581 2.030 3.160 . 0 0 "[ . 1 . 2]" 1
186 1 23 VAL H 1 50 LEU HA . . 5.500 5.401 4.953 5.591 0.091 19 0 "[ . 1 . 2]" 1
187 1 49 SER HB3 1 50 LEU H . . 3.230 3.118 2.313 3.248 0.018 18 0 "[ . 1 . 2]" 1
188 1 26 ILE MD 1 50 LEU H . . 3.590 2.895 2.462 3.591 0.001 7 0 "[ . 1 . 2]" 1
189 1 3 GLU HA 1 4 THR H . . 3.080 2.363 2.140 2.926 . 0 0 "[ . 1 . 2]" 1
190 1 4 THR H 1 4 THR HB . . 3.850 3.268 2.553 3.813 . 0 0 "[ . 1 . 2]" 1
191 1 3 GLU HB2 1 4 THR H . . 4.580 3.944 3.215 4.519 . 0 0 "[ . 1 . 2]" 1
192 1 3 GLU HB3 1 4 THR H . . 4.580 3.088 2.109 4.307 . 0 0 "[ . 1 . 2]" 1
193 1 3 GLU QG 1 4 THR H . . 5.030 3.814 2.192 4.601 . 0 0 "[ . 1 . 2]" 1
194 1 4 THR H 1 4 THR MG . . 3.920 2.629 1.888 3.912 . 0 0 "[ . 1 . 2]" 1
195 1 5 THR H 1 5 THR HB . . 3.730 3.008 2.319 3.735 0.005 9 0 "[ . 1 . 2]" 1
196 1 4 THR HA 1 5 THR H . . 3.130 2.312 2.140 2.963 . 0 0 "[ . 1 . 2]" 1
197 1 4 THR MG 1 5 THR H . . 4.480 3.877 2.569 4.339 . 0 0 "[ . 1 . 2]" 1
198 1 5 THR H 1 5 THR MG . . 4.650 3.438 2.007 3.990 . 0 0 "[ . 1 . 2]" 1
199 1 20 VAL H 1 55 MET HA . . 5.100 4.688 4.530 4.836 . 0 0 "[ . 1 . 2]" 1
200 1 19 LYS HA 1 20 VAL H . . 2.830 2.361 2.227 2.487 . 0 0 "[ . 1 . 2]" 1
201 1 20 VAL H 1 20 VAL HB . . 3.030 2.734 2.518 3.058 0.028 12 0 "[ . 1 . 2]" 1
202 1 22 LYS H 1 22 LYS HB3 . . 3.980 2.752 2.602 2.999 . 0 0 "[ . 1 . 2]" 1
203 1 22 LYS H 1 22 LYS HB2 . . 3.980 2.939 2.645 3.206 . 0 0 "[ . 1 . 2]" 1
204 1 22 LYS H 1 34 GLU HB2 . . 5.260 4.694 4.274 5.050 . 0 0 "[ . 1 . 2]" 1
205 1 20 VAL H 1 55 MET HB2 . . 5.500 5.443 5.153 5.517 0.017 8 0 "[ . 1 . 2]" 1
206 1 22 LYS H 1 22 LYS QG . . 4.320 4.143 4.083 4.258 . 0 0 "[ . 1 . 2]" 1
207 1 19 LYS HG2 1 20 VAL H . . 4.990 4.193 3.445 4.891 . 0 0 "[ . 1 . 2]" 1
208 1 19 LYS HG3 1 20 VAL H . . 4.990 4.138 3.393 4.984 . 0 0 "[ . 1 . 2]" 1
209 1 22 LYS H 1 33 VAL MG1 . . 3.410 3.253 2.875 3.403 . 0 0 "[ . 1 . 2]" 1
210 1 20 VAL H 1 35 VAL MG1 . . 4.460 4.375 4.073 4.485 0.025 12 0 "[ . 1 . 2]" 1
211 1 44 SER HA 1 46 GLU H . . 3.800 3.680 3.507 3.802 0.002 10 0 "[ . 1 . 2]" 1
212 1 21 GLY HA2 1 22 LYS H . . 3.260 2.586 2.319 2.806 . 0 0 "[ . 1 . 2]" 1
213 1 22 LYS H 1 53 ARG HA . . 5.500 5.289 4.644 5.490 . 0 0 "[ . 1 . 2]" 1
214 1 21 GLY HA3 1 22 LYS H . . 3.260 2.549 2.344 2.840 . 0 0 "[ . 1 . 2]" 1
215 1 22 LYS H 1 34 GLU H . . 3.690 3.190 2.895 3.695 0.005 1 0 "[ . 1 . 2]" 1
216 1 22 LYS H 1 23 VAL H . . 4.530 4.353 4.140 4.506 . 0 0 "[ . 1 . 2]" 1
217 1 71 PRO QG 1 73 LEU H . . 4.380 3.797 2.996 4.359 . 0 0 "[ . 1 . 2]" 1
218 1 72 GLN HB3 1 73 LEU H . . 4.480 3.763 2.191 4.550 0.070 17 0 "[ . 1 . 2]" 1
219 1 73 LEU H 1 73 LEU QB . . 3.050 2.643 2.259 3.052 0.002 9 0 "[ . 1 . 2]" 1
220 1 73 LEU H 1 73 LEU HG . . 3.460 2.640 1.924 3.468 0.008 14 0 "[ . 1 . 2]" 1
221 1 72 GLN HA 1 74 GLU H . . 4.010 3.587 3.102 4.009 . 0 0 "[ . 1 . 2]" 1
222 1 74 GLU H 1 74 GLU QG . . 4.190 3.178 2.119 4.068 . 0 0 "[ . 1 . 2]" 1
223 1 71 PRO QG 1 74 GLU H . . 5.170 4.095 2.774 5.151 . 0 0 "[ . 1 . 2]" 1
224 1 72 GLN HB2 1 74 GLU H . . 5.500 5.072 4.123 5.511 0.011 20 0 "[ . 1 . 2]" 1
225 1 72 GLN HB3 1 74 GLU H . . 5.500 4.975 4.377 5.500 . 0 0 "[ . 1 . 2]" 1
226 1 73 LEU QB 1 74 GLU H . . 3.940 3.544 2.567 4.002 0.062 6 0 "[ . 1 . 2]" 1
227 1 73 LEU MD1 1 74 GLU H . . 5.500 4.277 2.197 5.494 . 0 0 "[ . 1 . 2]" 1
228 1 73 LEU MD2 1 74 GLU H . . 5.500 4.593 3.020 5.540 0.040 20 0 "[ . 1 . 2]" 1
229 1 6 ASP H 1 6 ASP HB2 . . 3.850 2.870 2.277 3.816 . 0 0 "[ . 1 . 2]" 1
230 1 6 ASP H 1 6 ASP HB3 . . 3.850 3.161 2.351 3.856 0.006 8 0 "[ . 1 . 2]" 1
231 1 5 THR MG 1 6 ASP H . . 4.380 3.620 2.166 4.281 . 0 0 "[ . 1 . 2]" 1
232 1 11 LYS H 1 12 TYR HE1 . . 4.840 4.256 3.737 4.847 0.007 14 0 "[ . 1 . 2]" 1
233 1 10 GLY QA 1 11 LYS H . . 3.020 2.179 2.108 2.282 . 0 0 "[ . 1 . 2]" 1
234 1 11 LYS H 1 11 LYS QD . . 4.480 3.960 1.889 4.485 0.005 15 0 "[ . 1 . 2]" 1
235 1 11 LYS H 1 11 LYS HG2 . . 4.980 3.091 1.900 4.610 . 0 0 "[ . 1 . 2]" 1
236 1 11 LYS H 1 11 LYS HG3 . . 4.980 2.909 1.871 4.446 . 0 0 "[ . 1 . 2]" 1
237 1 6 ASP HA 1 7 ILE H . . 3.040 2.244 2.141 2.827 . 0 0 "[ . 1 . 2]" 1
238 1 7 ILE H 1 8 GLY QA . . 5.130 4.416 4.085 4.676 . 0 0 "[ . 1 . 2]" 1
239 1 15 GLU H 1 16 LEU HA . . 5.500 4.388 4.322 4.445 . 0 0 "[ . 1 . 2]" 1
240 1 6 ASP HB2 1 7 ILE H . . 4.530 4.101 3.294 4.530 0.000 9 0 "[ . 1 . 2]" 1
241 1 6 ASP HB3 1 7 ILE H . . 4.530 3.806 2.755 4.446 . 0 0 "[ . 1 . 2]" 1
242 1 7 ILE H 1 7 ILE HG12 . . 3.920 3.197 1.918 3.902 . 0 0 "[ . 1 . 2]" 1
243 1 7 ILE H 1 7 ILE HG13 . . 3.920 2.681 1.958 3.607 . 0 0 "[ . 1 . 2]" 1
244 1 7 ILE H 1 7 ILE MG . . 3.970 3.564 2.185 3.884 . 0 0 "[ . 1 . 2]" 1
245 1 14 PHE HA 1 15 GLU H . . 3.270 2.764 2.684 2.818 . 0 0 "[ . 1 . 2]" 1
246 1 14 PHE HD1 1 15 GLU H . . 4.740 3.884 3.607 4.052 . 0 0 "[ . 1 . 2]" 1
247 1 14 PHE HB3 1 15 GLU H . . 4.620 4.258 4.215 4.308 . 0 0 "[ . 1 . 2]" 1
248 1 15 GLU H 1 19 LYS QE . . 5.500 4.836 3.655 5.501 0.001 10 0 "[ . 1 . 2]" 1
249 1 15 GLU H 1 35 VAL MG1 . . 5.500 5.480 5.326 5.531 0.031 12 0 "[ . 1 . 2]" 1
250 1 15 GLU H 1 59 VAL MG1 . . 5.500 4.902 4.061 5.250 . 0 0 "[ . 1 . 2]" 1
251 1 15 GLU H 1 59 VAL MG2 . . 5.500 5.013 4.522 5.505 0.005 15 0 "[ . 1 . 2]" 1
252 1 6 ASP HA 1 8 GLY H . . 4.890 4.077 3.182 4.537 . 0 0 "[ . 1 . 2]" 1
253 1 7 ILE HB 1 8 GLY H . . 4.170 2.794 2.192 4.172 0.002 20 0 "[ . 1 . 2]" 1
254 1 7 ILE HG12 1 8 GLY H . . 5.270 4.555 2.785 5.271 0.001 20 0 "[ . 1 . 2]" 1
255 1 7 ILE HG13 1 8 GLY H . . 5.270 4.080 2.124 4.771 . 0 0 "[ . 1 . 2]" 1
256 1 7 ILE MG 1 8 GLY H . . 4.180 3.486 3.068 4.166 . 0 0 "[ . 1 . 2]" 1
257 1 9 GLY QA 1 10 GLY H . . 3.160 2.290 2.114 2.675 . 0 0 "[ . 1 . 2]" 1
258 1 7 ILE MG 1 9 GLY H . . 4.870 3.809 1.988 4.857 . 0 0 "[ . 1 . 2]" 1
259 1 12 TYR H 1 12 TYR HE1 . . 5.500 4.746 4.023 5.143 . 0 0 "[ . 1 . 2]" 1
260 1 12 TYR H 1 40 TRP HH2 . . 5.500 4.929 3.899 5.500 0.000 5 0 "[ . 1 . 2]" 1
261 1 11 LYS HA 1 12 TYR H . . 3.530 3.094 2.780 3.539 0.009 8 0 "[ . 1 . 2]" 1
262 1 12 TYR H 1 13 THR HA . . 5.500 4.981 4.483 5.418 . 0 0 "[ . 1 . 2]" 1
263 1 12 TYR H 1 13 THR HB . . 5.500 5.230 4.817 5.521 0.021 1 0 "[ . 1 . 2]" 1
264 1 10 GLY QA 1 12 TYR H . . 4.450 3.171 2.907 3.689 . 0 0 "[ . 1 . 2]" 1
265 1 12 TYR H 1 12 TYR HB3 . . 3.870 3.721 3.577 3.865 . 0 0 "[ . 1 . 2]" 1
266 1 11 LYS QB 1 12 TYR H . . 4.130 3.605 2.556 4.043 . 0 0 "[ . 1 . 2]" 1
267 1 12 TYR H 1 13 THR MG . . 5.500 5.081 4.090 5.478 . 0 0 "[ . 1 . 2]" 1
268 1 12 TYR H 1 13 THR H . . 4.440 4.033 2.219 4.408 . 0 0 "[ . 1 . 2]" 1
269 1 13 THR H 1 14 PHE HA . . 4.780 4.215 3.990 4.832 0.052 14 0 "[ . 1 . 2]" 1
270 1 13 THR H 1 13 THR HB . . 3.720 3.056 2.717 3.449 . 0 0 "[ . 1 . 2]" 1
271 1 12 TYR HB2 1 13 THR H . . 4.400 4.172 2.200 4.413 0.013 18 0 "[ . 1 . 2]" 1
272 1 12 TYR HB3 1 13 THR H . . 4.400 3.757 3.398 4.355 . 0 0 "[ . 1 . 2]" 1
273 1 13 THR H 1 13 THR MG . . 3.340 2.080 1.885 2.285 . 0 0 "[ . 1 . 2]" 1
274 1 14 PHE H 1 15 GLU H . . 3.420 2.819 2.640 3.021 . 0 0 "[ . 1 . 2]" 1
275 1 14 PHE H 1 14 PHE HD1 . . 4.310 4.275 4.256 4.297 . 0 0 "[ . 1 . 2]" 1
276 1 12 TYR HA 1 14 PHE H . . 5.350 3.464 3.086 5.229 . 0 0 "[ . 1 . 2]" 1
277 1 38 ASP H 1 40 TRP HD1 . . 4.740 4.354 4.060 4.543 . 0 0 "[ . 1 . 2]" 1
278 1 34 GLU HA 1 38 ASP H . . 4.320 3.627 3.447 3.921 . 0 0 "[ . 1 . 2]" 1
279 1 36 GLU HA 1 38 ASP H . . 4.770 4.677 4.565 4.772 0.002 10 0 "[ . 1 . 2]" 1
280 1 38 ASP H 1 38 ASP HB2 . . 3.220 2.740 2.670 2.972 . 0 0 "[ . 1 . 2]" 1
281 1 23 VAL HB 1 52 ASP H . . 4.110 3.954 1.928 4.242 0.132 10 0 "[ . 1 . 2]" 1
282 1 38 ASP H 1 38 ASP HB3 . . 3.950 3.729 3.088 3.811 . 0 0 "[ . 1 . 2]" 1
283 1 34 GLU QG 1 38 ASP H . . 3.650 2.608 2.417 2.830 . 0 0 "[ . 1 . 2]" 1
284 1 35 VAL MG2 1 38 ASP H . . 4.920 4.799 4.672 4.893 . 0 0 "[ . 1 . 2]" 1
285 1 38 ASP H 1 39 LYS H . . 4.390 4.102 3.990 4.300 . 0 0 "[ . 1 . 2]" 1
286 1 37 GLY H 1 38 ASP H . . 3.480 2.492 2.350 2.686 . 0 0 "[ . 1 . 2]" 1
287 1 35 VAL H 1 38 ASP H . . 3.650 2.793 2.494 2.977 . 0 0 "[ . 1 . 2]" 1
288 1 36 GLU H 1 38 ASP H . . 4.700 4.190 4.090 4.295 . 0 0 "[ . 1 . 2]" 1
289 1 38 ASP H 1 40 TRP HE1 . . 4.520 4.286 4.147 4.459 . 0 0 "[ . 1 . 2]" 1
290 1 15 GLU H 1 16 LEU H . . 3.710 1.810 1.784 1.852 . 0 0 "[ . 1 . 2]" 1
291 1 15 GLU HA 1 16 LEU H . . 3.510 3.445 3.369 3.483 . 0 0 "[ . 1 . 2]" 1
292 1 14 PHE HA 1 16 LEU H . . 4.640 3.827 3.589 4.012 . 0 0 "[ . 1 . 2]" 1
293 1 15 GLU QB 1 16 LEU H . . 4.300 3.063 2.867 3.614 . 0 0 "[ . 1 . 2]" 1
294 1 16 LEU H 1 16 LEU HB2 . . 3.700 3.010 2.911 3.104 . 0 0 "[ . 1 . 2]" 1
295 1 16 LEU H 1 16 LEU HG . . 3.490 3.466 3.419 3.534 0.044 9 0 "[ . 1 . 2]" 1
296 1 16 LEU H 1 19 LYS QD . . 4.620 4.154 3.394 4.655 0.035 19 0 "[ . 1 . 2]" 1
297 1 16 LEU H 1 16 LEU HB3 . . 3.700 3.523 3.491 3.561 . 0 0 "[ . 1 . 2]" 1
298 1 16 LEU H 1 56 VAL QG . . 5.360 4.565 4.345 4.884 . 0 0 "[ . 1 . 2]" 1
299 1 16 LEU H 1 35 VAL MG1 . . 4.690 4.098 3.899 4.261 . 0 0 "[ . 1 . 2]" 1
300 1 16 LEU H 1 16 LEU MD1 . . 4.170 1.853 1.822 1.890 . 0 0 "[ . 1 . 2]" 1
301 1 16 LEU H 1 16 LEU MD2 . . 4.170 1.857 1.808 1.910 . 0 0 "[ . 1 . 2]" 1
302 1 16 LEU H 1 17 LYS H . . 3.080 2.994 2.894 3.083 0.003 12 0 "[ . 1 . 2]" 1
303 1 15 GLU H 1 17 LYS H . . 4.610 4.032 3.911 4.138 . 0 0 "[ . 1 . 2]" 1
304 1 17 LYS H 1 18 GLY H . . 4.590 4.425 4.238 4.588 . 0 0 "[ . 1 . 2]" 1
305 1 14 PHE HA 1 17 LYS H . . 4.900 4.721 4.537 4.856 . 0 0 "[ . 1 . 2]" 1
306 1 15 GLU HA 1 17 LYS H . . 4.080 3.647 3.522 3.821 . 0 0 "[ . 1 . 2]" 1
307 1 17 LYS H 1 17 LYS QE . . 5.500 5.160 4.275 5.557 0.057 18 0 "[ . 1 . 2]" 1
308 1 17 LYS H 1 56 VAL HB . . 5.240 4.360 4.073 4.666 . 0 0 "[ . 1 . 2]" 1
309 1 17 LYS H 1 17 LYS HB2 . . 3.190 2.298 2.144 2.684 . 0 0 "[ . 1 . 2]" 1
310 1 17 LYS H 1 17 LYS HB3 . . 3.190 2.822 2.372 3.020 . 0 0 "[ . 1 . 2]" 1
311 1 16 LEU HB2 1 17 LYS H . . 4.680 2.673 2.539 2.782 . 0 0 "[ . 1 . 2]" 1
312 1 17 LYS H 1 17 LYS HG3 . . 4.770 4.342 4.056 4.583 . 0 0 "[ . 1 . 2]" 1
313 1 16 LEU HB3 1 17 LYS H . . 4.680 3.954 3.867 4.043 . 0 0 "[ . 1 . 2]" 1
314 1 16 LEU HG 1 17 LYS H . . 5.000 4.916 4.723 5.002 0.002 1 0 "[ . 1 . 2]" 1
315 1 17 LYS H 1 35 VAL MG1 . . 5.500 5.180 4.898 5.495 . 0 0 "[ . 1 . 2]" 1
316 1 17 LYS H 1 59 VAL MG1 . . 5.500 3.537 2.074 4.478 . 0 0 "[ . 1 . 2]" 1
317 1 17 LYS H 1 56 VAL QG . . 4.120 3.311 2.974 3.576 . 0 0 "[ . 1 . 2]" 1
318 1 17 LYS H 1 59 VAL MG2 . . 5.500 2.980 1.873 4.457 . 0 0 "[ . 1 . 2]" 1
319 1 16 LEU MD1 1 17 LYS H . . 4.750 4.133 4.095 4.176 . 0 0 "[ . 1 . 2]" 1
320 1 16 LEU MD2 1 17 LYS H . . 4.750 2.845 2.557 3.038 . 0 0 "[ . 1 . 2]" 1
321 1 17 LYS HA 1 18 GLY H . . 3.080 2.167 2.145 2.216 . 0 0 "[ . 1 . 2]" 1
322 1 18 GLY H 1 56 VAL HB . . 3.760 2.160 1.889 2.588 . 0 0 "[ . 1 . 2]" 1
323 1 18 GLY H 1 55 MET HG3 . . 4.970 4.475 4.100 4.856 . 0 0 "[ . 1 . 2]" 1
324 1 17 LYS QD 1 18 GLY H . . 5.380 3.846 2.546 5.144 . 0 0 "[ . 1 . 2]" 1
325 1 17 LYS HB3 1 18 GLY H . . 4.850 4.194 3.901 4.518 . 0 0 "[ . 1 . 2]" 1
326 1 18 GLY H 1 56 VAL QG . . 3.710 2.840 2.536 3.137 . 0 0 "[ . 1 . 2]" 1
327 1 18 GLY H 1 19 LYS H . . 3.600 2.910 2.488 3.221 . 0 0 "[ . 1 . 2]" 1
328 1 19 LYS H 1 56 VAL H . . 4.540 4.385 4.102 4.546 0.006 8 0 "[ . 1 . 2]" 1
329 1 16 LEU HA 1 19 LYS H . . 4.420 3.740 3.435 4.154 . 0 0 "[ . 1 . 2]" 1
330 1 17 LYS HA 1 19 LYS H . . 3.970 3.847 3.543 4.008 0.038 12 0 "[ . 1 . 2]" 1
331 1 19 LYS H 1 19 LYS QE . . 4.860 4.224 3.140 4.851 . 0 0 "[ . 1 . 2]" 1
332 1 19 LYS H 1 56 VAL HB . . 3.530 3.434 3.243 3.541 0.011 4 0 "[ . 1 . 2]" 1
333 1 19 LYS H 1 19 LYS HB2 . . 3.620 2.363 2.183 3.613 . 0 0 "[ . 1 . 2]" 1
334 1 19 LYS H 1 19 LYS HB3 . . 3.620 3.514 2.914 3.596 . 0 0 "[ . 1 . 2]" 1
335 1 19 LYS H 1 19 LYS QD . . 4.400 3.047 2.059 4.313 . 0 0 "[ . 1 . 2]" 1
336 1 19 LYS H 1 56 VAL QG . . 3.920 3.678 3.341 3.913 . 0 0 "[ . 1 . 2]" 1
337 1 19 LYS H 1 35 VAL MG1 . . 4.800 4.587 4.349 4.804 0.004 13 0 "[ . 1 . 2]" 1
338 1 20 VAL H 1 21 GLY H . . 4.880 4.462 4.333 4.521 . 0 0 "[ . 1 . 2]" 1
339 1 21 GLY H 1 22 LYS H . . 5.200 4.408 4.275 4.519 . 0 0 "[ . 1 . 2]" 1
340 1 21 GLY H 1 55 MET HA . . 3.970 3.086 2.874 3.356 . 0 0 "[ . 1 . 2]" 1
341 1 20 VAL HA 1 21 GLY H . . 3.000 2.184 2.149 2.208 . 0 0 "[ . 1 . 2]" 1
342 1 21 GLY H 1 53 ARG HA . . 5.120 5.057 4.865 5.132 0.012 4 0 "[ . 1 . 2]" 1
343 1 20 VAL HB 1 21 GLY H . . 4.200 4.087 3.910 4.199 . 0 0 "[ . 1 . 2]" 1
344 1 21 GLY H 1 54 VAL HB . . 5.430 5.154 4.952 5.411 . 0 0 "[ . 1 . 2]" 1
345 1 21 GLY H 1 54 VAL MG2 . . 3.690 3.095 2.687 3.311 . 0 0 "[ . 1 . 2]" 1
346 1 21 GLY H 1 35 VAL MG1 . . 4.900 4.433 4.083 4.831 . 0 0 "[ . 1 . 2]" 1
347 1 21 GLY H 1 69 ILE MD . . 5.330 4.608 4.250 4.844 . 0 0 "[ . 1 . 2]" 1
348 1 21 GLY H 1 33 VAL MG1 . . 4.750 3.786 3.551 4.154 . 0 0 "[ . 1 . 2]" 1
349 1 62 LEU H 1 63 LYS HA . . 5.240 4.962 4.655 5.247 0.007 5 0 "[ . 1 . 2]" 1
350 1 61 GLY HA3 1 62 LEU H . . 3.190 2.225 2.144 2.396 . 0 0 "[ . 1 . 2]" 1
351 1 62 LEU H 1 62 LEU HB2 . . 3.930 2.404 2.197 2.777 . 0 0 "[ . 1 . 2]" 1
352 1 62 LEU H 1 62 LEU HB3 . . 3.930 3.175 2.610 3.727 . 0 0 "[ . 1 . 2]" 1
353 1 62 LEU H 1 62 LEU MD1 . . 5.160 3.876 2.684 4.324 . 0 0 "[ . 1 . 2]" 1
354 1 62 LEU H 1 62 LEU MD2 . . 5.160 3.993 2.418 4.467 . 0 0 "[ . 1 . 2]" 1
355 1 22 LYS HA 1 23 VAL H . . 2.990 2.171 2.141 2.287 . 0 0 "[ . 1 . 2]" 1
356 1 23 VAL H 1 53 ARG HA . . 4.150 3.685 2.750 4.095 . 0 0 "[ . 1 . 2]" 1
357 1 23 VAL H 1 52 ASP HA . . 5.490 5.084 4.758 5.292 . 0 0 "[ . 1 . 2]" 1
358 1 23 VAL H 1 23 VAL HB . . 3.740 3.470 2.250 3.630 . 0 0 "[ . 1 . 2]" 1
359 1 22 LYS HB3 1 23 VAL H . . 5.070 4.047 3.495 4.263 . 0 0 "[ . 1 . 2]" 1
360 1 22 LYS QD 1 23 VAL H . . 4.730 3.948 2.702 4.700 . 0 0 "[ . 1 . 2]" 1
361 1 22 LYS QG 1 23 VAL H . . 3.970 2.600 2.079 2.962 . 0 0 "[ . 1 . 2]" 1
362 1 23 VAL H 1 23 VAL MG1 . . 3.830 2.689 2.439 3.764 . 0 0 "[ . 1 . 2]" 1
363 1 23 VAL H 1 23 VAL MG2 . . 3.830 1.933 1.841 2.952 . 0 0 "[ . 1 . 2]" 1
364 1 23 VAL H 1 33 VAL MG1 . . 4.470 3.612 3.167 4.153 . 0 0 "[ . 1 . 2]" 1
365 1 23 VAL H 1 54 VAL MG1 . . 4.370 4.009 3.646 4.360 . 0 0 "[ . 1 . 2]" 1
366 1 49 SER HA 1 52 ASP H . . 5.500 5.237 5.076 5.526 0.026 7 0 "[ . 1 . 2]" 1
367 1 23 VAL HA 1 25 LYS H . . 3.920 3.529 3.187 3.911 . 0 0 "[ . 1 . 2]" 1
368 1 23 VAL HA 1 52 ASP H . . 5.500 5.464 4.912 5.567 0.067 6 0 "[ . 1 . 2]" 1
369 1 25 LYS H 1 31 TYR HB3 . . 5.500 5.422 5.208 5.516 0.016 19 0 "[ . 1 . 2]" 1
370 1 24 VAL HB 1 25 LYS H . . 4.420 3.874 3.584 4.127 . 0 0 "[ . 1 . 2]" 1
371 1 25 LYS H 1 25 LYS HB3 . . 3.850 3.264 3.088 3.725 . 0 0 "[ . 1 . 2]" 1
372 1 25 LYS H 1 25 LYS HB2 . . 3.940 3.197 2.802 3.409 . 0 0 "[ . 1 . 2]" 1
373 1 25 LYS H 1 32 LEU HB2 . . 4.160 2.934 2.373 4.157 . 0 0 "[ . 1 . 2]" 1
374 1 25 LYS H 1 32 LEU HG . . 5.500 5.021 4.703 5.480 . 0 0 "[ . 1 . 2]" 1
375 1 22 LYS QD 1 52 ASP H . . 5.130 4.823 4.046 5.145 0.015 8 0 "[ . 1 . 2]" 1
376 1 50 LEU HB3 1 52 ASP H . . 5.470 5.139 4.944 5.281 . 0 0 "[ . 1 . 2]" 1
377 1 25 LYS H 1 32 LEU HB3 . . 3.830 3.280 2.494 3.746 . 0 0 "[ . 1 . 2]" 1
378 1 25 LYS H 1 33 VAL MG1 . . 5.500 5.428 5.308 5.501 0.001 6 0 "[ . 1 . 2]" 1
379 1 26 ILE H 1 27 ALA H . . 4.540 4.390 4.238 4.485 . 0 0 "[ . 1 . 2]" 1
380 1 27 ALA H 1 32 LEU H . . 4.610 3.997 3.812 4.246 . 0 0 "[ . 1 . 2]" 1
381 1 27 ALA H 1 31 TYR HA . . 3.510 2.319 2.077 2.556 . 0 0 "[ . 1 . 2]" 1
382 1 26 ILE HA 1 27 ALA H . . 2.920 2.210 2.165 2.263 . 0 0 "[ . 1 . 2]" 1
383 1 27 ALA H 1 31 TYR HB3 . . 4.870 4.020 3.914 4.207 . 0 0 "[ . 1 . 2]" 1
384 1 26 ILE HB 1 27 ALA H . . 4.270 4.025 3.886 4.155 . 0 0 "[ . 1 . 2]" 1
385 1 26 ILE HG12 1 27 ALA H . . 5.010 4.583 4.172 4.922 . 0 0 "[ . 1 . 2]" 1
386 1 26 ILE HG13 1 27 ALA H . . 5.010 4.434 4.028 4.825 . 0 0 "[ . 1 . 2]" 1
387 1 26 ILE MD 1 27 ALA H . . 5.130 4.977 4.787 5.142 0.012 18 0 "[ . 1 . 2]" 1
388 1 26 ILE MG 1 27 ALA H . . 3.310 2.181 1.919 2.408 . 0 0 "[ . 1 . 2]" 1
389 1 27 ALA H 1 27 ALA MB . . 3.120 2.632 2.549 2.720 . 0 0 "[ . 1 . 2]" 1
390 1 28 GLU H 1 29 ASP H . . 3.680 2.950 2.668 3.127 . 0 0 "[ . 1 . 2]" 1
391 1 27 ALA H 1 28 GLU H . . 4.440 4.241 4.140 4.412 . 0 0 "[ . 1 . 2]" 1
392 1 28 GLU H 1 30 HIS H . . 4.450 4.152 3.942 4.288 . 0 0 "[ . 1 . 2]" 1
393 1 27 ALA HA 1 28 GLU H . . 2.840 2.189 2.159 2.336 . 0 0 "[ . 1 . 2]" 1
394 1 28 GLU H 1 28 GLU HA . . 2.880 2.734 2.684 2.816 . 0 0 "[ . 1 . 2]" 1
395 1 28 GLU H 1 28 GLU QG . . 4.210 3.874 3.744 4.050 . 0 0 "[ . 1 . 2]" 1
396 1 28 GLU H 1 28 GLU HB2 . . 3.260 2.178 2.166 2.224 . 0 0 "[ . 1 . 2]" 1
397 1 26 ILE MG 1 28 GLU H . . 4.490 4.151 3.968 4.474 . 0 0 "[ . 1 . 2]" 1
398 1 27 ALA MB 1 28 GLU H . . 3.100 3.010 2.596 3.118 0.018 9 0 "[ . 1 . 2]" 1
399 1 27 ALA HA 1 29 ASP H . . 4.440 4.289 4.160 4.439 . 0 0 "[ . 1 . 2]" 1
400 1 29 ASP H 1 29 ASP HB2 . . 4.040 2.472 2.208 3.541 . 0 0 "[ . 1 . 2]" 1
401 1 28 GLU HB3 1 29 ASP H . . 3.050 2.405 2.242 2.612 . 0 0 "[ . 1 . 2]" 1
402 1 32 LEU H 1 33 VAL H . . 4.770 4.230 4.133 4.366 . 0 0 "[ . 1 . 2]" 1
403 1 25 LYS H 1 32 LEU H . . 3.670 3.632 3.475 3.703 0.033 1 0 "[ . 1 . 2]" 1
404 1 31 TYR HD2 1 32 LEU H . . 4.940 4.556 4.391 4.789 . 0 0 "[ . 1 . 2]" 1
405 1 31 TYR HA 1 32 LEU H . . 3.170 2.265 2.213 2.404 . 0 0 "[ . 1 . 2]" 1
406 1 25 LYS HA 1 32 LEU H . . 5.040 4.935 4.746 5.049 0.009 3 0 "[ . 1 . 2]" 1
407 1 26 ILE HA 1 32 LEU H . . 4.370 2.755 2.595 3.038 . 0 0 "[ . 1 . 2]" 1
408 1 31 TYR HB3 1 32 LEU H . . 3.570 2.804 2.424 2.974 . 0 0 "[ . 1 . 2]" 1
409 1 31 TYR HB2 1 32 LEU H . . 4.130 3.847 3.710 3.996 . 0 0 "[ . 1 . 2]" 1
410 1 25 LYS HB3 1 32 LEU H . . 4.270 3.701 3.277 4.199 . 0 0 "[ . 1 . 2]" 1
411 1 32 LEU H 1 32 LEU HB2 . . 3.390 2.349 2.244 2.630 . 0 0 "[ . 1 . 2]" 1
412 1 32 LEU H 1 32 LEU HG . . 4.890 4.015 2.913 4.629 . 0 0 "[ . 1 . 2]" 1
413 1 32 LEU H 1 32 LEU HB3 . . 3.840 3.493 2.838 3.673 . 0 0 "[ . 1 . 2]" 1
414 1 32 LEU H 1 32 LEU MD1 . . 4.820 4.058 3.866 4.473 . 0 0 "[ . 1 . 2]" 1
415 1 32 LEU H 1 32 LEU MD2 . . 4.820 3.146 2.482 4.358 . 0 0 "[ . 1 . 2]" 1
416 1 32 LEU H 1 33 VAL MG2 . . 4.690 3.789 3.621 3.903 . 0 0 "[ . 1 . 2]" 1
417 1 27 ALA MB 1 32 LEU H . . 5.230 4.485 4.277 4.759 . 0 0 "[ . 1 . 2]" 1
418 1 36 GLU H 1 37 GLY H . . 3.710 2.772 2.609 2.974 . 0 0 "[ . 1 . 2]" 1
419 1 35 VAL H 1 37 GLY H . . 4.910 4.175 3.910 4.549 . 0 0 "[ . 1 . 2]" 1
420 1 34 GLU HA 1 37 GLY H . . 5.270 4.974 4.726 5.292 0.022 9 0 "[ . 1 . 2]" 1
421 1 37 GLY H 1 38 ASP HA . . 5.320 5.154 5.033 5.309 . 0 0 "[ . 1 . 2]" 1
422 1 35 VAL HA 1 37 GLY H . . 4.360 3.672 3.422 3.853 . 0 0 "[ . 1 . 2]" 1
423 1 36 GLU HA 1 37 GLY H . . 3.370 2.882 2.746 2.988 . 0 0 "[ . 1 . 2]" 1
424 1 36 GLU HB2 1 37 GLY H . . 4.990 4.228 4.066 4.537 . 0 0 "[ . 1 . 2]" 1
425 1 36 GLU QG 1 37 GLY H . . 5.430 4.624 3.549 4.989 . 0 0 "[ . 1 . 2]" 1
426 1 34 GLU QG 1 37 GLY H . . 3.500 2.632 2.341 3.007 . 0 0 "[ . 1 . 2]" 1
427 1 71 PRO HB3 1 72 GLN H . . 4.220 3.431 3.164 4.020 . 0 0 "[ . 1 . 2]" 1
428 1 71 PRO HA 1 72 GLN H . . 2.710 2.447 2.153 2.699 . 0 0 "[ . 1 . 2]" 1
429 1 72 GLN H 1 72 GLN HB3 . . 3.820 3.160 2.581 3.815 . 0 0 "[ . 1 . 2]" 1
430 1 44 SER H 1 46 GLU H . . 5.220 5.118 4.920 5.226 0.006 10 0 "[ . 1 . 2]" 1
431 1 31 TYR HD2 1 44 SER H . . 4.450 4.365 3.825 4.459 0.009 19 0 "[ . 1 . 2]" 1
432 1 43 TYR HA 1 44 SER H . . 2.980 2.152 2.138 2.213 . 0 0 "[ . 1 . 2]" 1
433 1 44 SER H 1 45 ASP HA . . 4.980 4.882 4.729 4.982 0.002 14 0 "[ . 1 . 2]" 1
434 1 44 SER H 1 44 SER HB2 . . 3.830 3.136 2.582 3.813 . 0 0 "[ . 1 . 2]" 1
435 1 44 SER H 1 44 SER HB3 . . 3.830 2.998 2.446 3.853 0.023 4 0 "[ . 1 . 2]" 1
436 1 42 ALA MB 1 44 SER H . . 5.420 4.827 4.677 5.122 . 0 0 "[ . 1 . 2]" 1
437 1 44 SER H 1 48 LEU HG . . 5.500 4.839 4.258 5.258 . 0 0 "[ . 1 . 2]" 1
438 1 44 SER H 1 66 VAL MG2 . . 4.760 4.227 3.725 4.725 . 0 0 "[ . 1 . 2]" 1
439 1 45 ASP H 1 46 GLU H . . 3.240 2.624 2.330 2.943 . 0 0 "[ . 1 . 2]" 1
440 1 45 ASP HA 1 46 GLU H . . 3.510 3.452 3.389 3.504 . 0 0 "[ . 1 . 2]" 1
441 1 44 SER HB3 1 46 GLU H . . 4.460 3.591 2.533 4.462 0.002 3 0 "[ . 1 . 2]" 1
442 1 44 SER HB2 1 46 GLU H . . 4.460 3.994 2.851 4.407 . 0 0 "[ . 1 . 2]" 1
443 1 45 ASP HB2 1 46 GLU H . . 4.360 3.386 2.874 4.220 . 0 0 "[ . 1 . 2]" 1
444 1 45 ASP HB3 1 46 GLU H . . 4.360 3.758 2.996 4.281 . 0 0 "[ . 1 . 2]" 1
445 1 46 GLU H 1 46 GLU HG3 . . 4.180 3.160 2.469 3.808 . 0 0 "[ . 1 . 2]" 1
446 1 46 GLU H 1 46 GLU HB2 . . 3.830 2.888 2.225 3.760 . 0 0 "[ . 1 . 2]" 1
447 1 46 GLU H 1 46 GLU HB3 . . 3.830 3.259 2.537 3.741 . 0 0 "[ . 1 . 2]" 1
448 1 46 GLU H 1 48 LEU HG . . 5.410 4.930 4.608 5.421 0.011 19 0 "[ . 1 . 2]" 1
449 1 46 GLU H 1 48 LEU MD2 . . 4.660 4.150 3.642 4.549 . 0 0 "[ . 1 . 2]" 1
450 1 46 GLU HA 1 47 LYS H . . 2.750 2.141 2.137 2.146 . 0 0 "[ . 1 . 2]" 1
451 1 45 ASP HA 1 47 LYS H . . 5.500 5.466 5.340 5.560 0.060 13 0 "[ . 1 . 2]" 1
452 1 46 GLU HG2 1 47 LYS H . . 4.930 4.687 4.173 5.016 0.086 13 0 "[ . 1 . 2]" 1
453 1 47 LYS H 1 47 LYS QB . . 2.730 2.475 2.288 2.779 0.049 20 0 "[ . 1 . 2]" 1
454 1 47 LYS H 1 47 LYS HG3 . . 3.980 2.928 2.051 3.896 . 0 0 "[ . 1 . 2]" 1
455 1 47 LYS H 1 47 LYS HG2 . . 3.980 2.899 1.982 3.987 0.007 17 0 "[ . 1 . 2]" 1
456 1 47 LYS H 1 48 LEU MD2 . . 5.180 4.914 4.590 5.181 0.001 1 0 "[ . 1 . 2]" 1
457 1 23 VAL H 1 52 ASP H . . 3.860 3.785 3.577 3.891 0.031 7 0 "[ . 1 . 2]" 1
458 1 51 GLY H 1 52 ASP H . . 3.420 2.343 2.181 2.558 . 0 0 "[ . 1 . 2]" 1
459 1 24 VAL H 1 25 LYS H . . 2.970 2.341 1.995 2.626 . 0 0 "[ . 1 . 2]" 1
460 1 50 LEU HA 1 52 ASP H . . 3.680 3.420 3.266 3.518 . 0 0 "[ . 1 . 2]" 1
461 1 49 SER HB3 1 52 ASP H . . 5.500 5.423 4.960 5.514 0.014 6 0 "[ . 1 . 2]" 1
462 1 22 LYS QG 1 52 ASP H . . 4.870 4.103 3.650 4.681 . 0 0 "[ . 1 . 2]" 1
463 1 23 VAL MG1 1 52 ASP H . . 4.130 3.874 2.484 4.114 . 0 0 "[ . 1 . 2]" 1
464 1 52 ASP H 1 54 VAL MG1 . . 5.350 5.034 4.798 5.284 . 0 0 "[ . 1 . 2]" 1
465 1 52 ASP H 1 53 ARG H . . 4.740 4.540 4.220 4.619 . 0 0 "[ . 1 . 2]" 1
466 1 22 LYS HA 1 53 ARG H . . 5.500 5.136 4.399 5.501 0.001 4 0 "[ . 1 . 2]" 1
467 1 52 ASP HA 1 53 ARG H . . 2.860 2.219 2.141 2.536 . 0 0 "[ . 1 . 2]" 1
468 1 53 ARG H 1 53 ARG QD . . 4.460 4.136 3.234 4.472 0.012 20 0 "[ . 1 . 2]" 1
469 1 52 ASP HB2 1 53 ARG H . . 4.380 4.184 3.717 4.425 0.045 19 0 "[ . 1 . 2]" 1
470 1 52 ASP HB3 1 53 ARG H . . 4.380 3.473 3.032 4.153 . 0 0 "[ . 1 . 2]" 1
471 1 53 ARG H 1 53 ARG HB2 . . 3.600 2.572 2.185 3.660 0.060 11 0 "[ . 1 . 2]" 1
472 1 53 ARG H 1 53 ARG HB3 . . 3.600 2.937 2.581 3.526 . 0 0 "[ . 1 . 2]" 1
473 1 53 ARG H 1 53 ARG HG3 . . 4.780 3.897 3.034 4.548 . 0 0 "[ . 1 . 2]" 1
474 1 23 VAL MG1 1 53 ARG H . . 5.500 5.450 4.903 5.604 0.104 19 0 "[ . 1 . 2]" 1
475 1 23 VAL MG2 1 53 ARG H . . 5.500 4.310 3.374 4.679 . 0 0 "[ . 1 . 2]" 1
476 1 53 ARG H 1 69 ILE MD . . 5.500 5.450 5.261 5.503 0.003 1 0 "[ . 1 . 2]" 1
477 1 53 ARG H 1 54 VAL MG1 . . 4.700 4.143 3.727 4.382 . 0 0 "[ . 1 . 2]" 1
478 1 3 GLU H 1 3 GLU HB2 . . 3.990 2.500 2.157 3.612 . 0 0 "[ . 1 . 2]" 1
479 1 2 ARG QB 1 3 GLU H . . 3.770 2.906 2.376 3.573 . 0 0 "[ . 1 . 2]" 1
480 1 3 GLU H 1 3 GLU HB3 . . 3.990 3.537 2.452 3.893 . 0 0 "[ . 1 . 2]" 1
481 1 23 VAL H 1 54 VAL H . . 5.050 4.346 3.910 4.775 . 0 0 "[ . 1 . 2]" 1
482 1 53 ARG H 1 54 VAL H . . 5.430 4.520 4.378 4.639 . 0 0 "[ . 1 . 2]" 1
483 1 21 GLY H 1 54 VAL H . . 3.750 3.368 3.142 3.564 . 0 0 "[ . 1 . 2]" 1
484 1 22 LYS HA 1 54 VAL H . . 3.870 3.444 2.946 3.732 . 0 0 "[ . 1 . 2]" 1
485 1 53 ARG HA 1 54 VAL H . . 2.960 2.183 2.140 2.367 . 0 0 "[ . 1 . 2]" 1
486 1 53 ARG HB3 1 54 VAL H . . 4.430 3.784 3.117 4.126 . 0 0 "[ . 1 . 2]" 1
487 1 53 ARG HG3 1 54 VAL H . . 4.790 3.544 2.545 4.655 . 0 0 "[ . 1 . 2]" 1
488 1 33 VAL MG1 1 54 VAL H . . 4.620 4.167 3.759 4.612 . 0 0 "[ . 1 . 2]" 1
489 1 54 VAL H 1 54 VAL MG1 . . 3.790 3.027 2.777 3.205 . 0 0 "[ . 1 . 2]" 1
490 1 54 VAL H 1 54 VAL MG2 . . 3.170 2.226 2.052 2.573 . 0 0 "[ . 1 . 2]" 1
491 1 22 LYS QG 1 54 VAL H . . 5.380 5.097 4.748 5.406 0.026 4 0 "[ . 1 . 2]" 1
492 1 22 LYS QG 1 51 GLY H . . 4.520 3.751 3.007 4.528 0.008 4 0 "[ . 1 . 2]" 1
493 1 20 VAL HA 1 54 VAL H . . 5.150 4.774 4.571 5.110 . 0 0 "[ . 1 . 2]" 1
494 1 57 VAL H 1 58 ASP H . . 3.020 2.376 1.943 2.703 . 0 0 "[ . 1 . 2]" 1
495 1 58 ASP H 1 65 LYS H . . 3.640 3.261 2.684 3.674 0.034 7 0 "[ . 1 . 2]" 1
496 1 58 ASP H 1 65 LYS HA . . 5.190 4.923 4.587 5.182 . 0 0 "[ . 1 . 2]" 1
497 1 58 ASP H 1 64 LEU HA . . 4.550 4.328 3.988 4.555 0.005 5 0 "[ . 1 . 2]" 1
498 1 56 VAL HA 1 58 ASP H . . 3.920 3.688 3.323 3.907 . 0 0 "[ . 1 . 2]" 1
499 1 17 LYS HA 1 58 ASP H . . 5.500 4.719 4.262 5.043 . 0 0 "[ . 1 . 2]" 1
500 1 58 ASP H 1 58 ASP HB2 . . 3.970 3.283 2.854 3.726 . 0 0 "[ . 1 . 2]" 1
501 1 58 ASP H 1 58 ASP HB3 . . 3.970 3.224 2.957 3.912 . 0 0 "[ . 1 . 2]" 1
502 1 57 VAL HB 1 58 ASP H . . 4.330 3.551 2.539 4.268 . 0 0 "[ . 1 . 2]" 1
503 1 58 ASP H 1 65 LYS HB3 . . 4.450 3.524 2.358 4.455 0.005 8 0 "[ . 1 . 2]" 1
504 1 57 VAL MG1 1 58 ASP H . . 4.060 2.724 1.910 3.978 . 0 0 "[ . 1 . 2]" 1
505 1 57 VAL MG2 1 58 ASP H . . 4.060 3.672 3.382 3.993 . 0 0 "[ . 1 . 2]" 1
506 1 56 VAL QG 1 58 ASP H . . 3.260 2.475 2.256 2.631 . 0 0 "[ . 1 . 2]" 1
507 1 58 ASP H 1 65 LYS QG . . 4.940 4.629 4.083 4.959 0.019 5 0 "[ . 1 . 2]" 1
508 1 58 ASP H 1 59 VAL H . . 4.530 4.296 4.167 4.373 . 0 0 "[ . 1 . 2]" 1
509 1 58 ASP HA 1 59 VAL H . . 2.400 2.293 2.216 2.458 0.058 15 0 "[ . 1 . 2]" 1
510 1 17 LYS QE 1 59 VAL H . . 5.190 3.714 1.882 5.215 0.025 18 0 "[ . 1 . 2]" 1
511 1 58 ASP HB2 1 59 VAL H . . 4.270 4.047 3.707 4.253 . 0 0 "[ . 1 . 2]" 1
512 1 58 ASP HB3 1 59 VAL H . . 4.270 3.578 2.938 4.004 . 0 0 "[ . 1 . 2]" 1
513 1 17 LYS QD 1 59 VAL H . . 4.520 3.859 2.438 4.545 0.025 19 0 "[ . 1 . 2]" 1
514 1 59 VAL H 1 59 VAL MG1 . . 3.970 3.319 2.189 3.944 . 0 0 "[ . 1 . 2]" 1
515 1 59 VAL H 1 59 VAL MG2 . . 3.970 3.145 2.525 4.015 0.045 2 0 "[ . 1 . 2]" 1
516 1 65 LYS HA 1 66 VAL H . . 2.890 2.215 2.141 2.479 . 0 0 "[ . 1 . 2]" 1
517 1 65 LYS QD 1 66 VAL H . . 5.450 4.428 2.007 5.432 . 0 0 "[ . 1 . 2]" 1
518 1 42 ALA MB 1 66 VAL H . . 3.660 2.931 2.464 3.642 . 0 0 "[ . 1 . 2]" 1
519 1 66 VAL H 1 66 VAL MG2 . . 3.130 2.062 1.873 2.397 . 0 0 "[ . 1 . 2]" 1
520 1 66 VAL H 1 66 VAL MG1 . . 3.670 2.833 2.536 3.155 . 0 0 "[ . 1 . 2]" 1
521 1 54 VAL MG2 1 66 VAL H . . 5.420 5.055 4.792 5.368 . 0 0 "[ . 1 . 2]" 1
522 1 48 LEU HA 1 49 SER H . . 3.100 2.541 2.368 2.650 . 0 0 "[ . 1 . 2]" 1
523 1 49 SER H 1 49 SER HB3 . . 3.910 3.857 3.769 3.932 0.022 4 0 "[ . 1 . 2]" 1
524 1 49 SER H 1 52 ASP HB2 . . 4.550 2.704 2.294 3.632 . 0 0 "[ . 1 . 2]" 1
525 1 49 SER H 1 52 ASP HB3 . . 4.550 3.306 2.508 3.834 . 0 0 "[ . 1 . 2]" 1
526 1 48 LEU HB2 1 49 SER H . . 3.800 3.201 2.855 3.665 . 0 0 "[ . 1 . 2]" 1
527 1 48 LEU HB3 1 49 SER H . . 3.800 2.208 1.992 2.493 . 0 0 "[ . 1 . 2]" 1
528 1 48 LEU MD1 1 49 SER H . . 4.650 4.212 3.990 4.407 . 0 0 "[ . 1 . 2]" 1
529 1 23 VAL MG2 1 49 SER H . . 4.750 3.381 2.872 3.656 . 0 0 "[ . 1 . 2]" 1
530 1 49 SER H 1 68 ARG QD . . 5.500 4.694 3.835 5.475 . 0 0 "[ . 1 . 2]" 1
531 1 24 VAL HA 1 51 GLY H . . 4.680 4.129 3.638 4.494 . 0 0 "[ . 1 . 2]" 1
532 1 50 LEU HA 1 51 GLY H . . 2.970 2.148 2.143 2.190 . 0 0 "[ . 1 . 2]" 1
533 1 23 VAL HB 1 51 GLY H . . 3.950 3.618 2.913 3.846 . 0 0 "[ . 1 . 2]" 1
534 1 22 LYS QD 1 51 GLY H . . 4.110 3.770 2.712 4.127 0.017 14 0 "[ . 1 . 2]" 1
535 1 50 LEU HB3 1 51 GLY H . . 3.990 3.434 3.074 3.678 . 0 0 "[ . 1 . 2]" 1
536 1 23 VAL MG1 1 51 GLY H . . 4.480 4.307 2.145 4.509 0.029 10 0 "[ . 1 . 2]" 1
537 1 23 VAL MG2 1 51 GLY H . . 4.480 2.197 1.856 4.497 0.017 19 0 "[ . 1 . 2]" 1
538 1 23 VAL HA 1 51 GLY H . . 5.260 4.837 4.551 4.992 . 0 0 "[ . 1 . 2]" 1
539 1 20 VAL HA 1 56 VAL H . . 3.860 3.217 2.944 3.490 . 0 0 "[ . 1 . 2]" 1
540 1 55 MET HA 1 56 VAL H . . 2.970 2.199 2.144 2.282 . 0 0 "[ . 1 . 2]" 1
541 1 56 VAL H 1 56 VAL HB . . 3.280 2.563 2.439 2.800 . 0 0 "[ . 1 . 2]" 1
542 1 55 MET HG3 1 56 VAL H . . 3.940 2.888 2.342 3.415 . 0 0 "[ . 1 . 2]" 1
543 1 20 VAL MG1 1 56 VAL H . . 5.500 5.107 4.667 5.555 0.055 12 0 "[ . 1 . 2]" 1
544 1 20 VAL MG2 1 56 VAL H . . 5.500 4.331 3.931 4.633 . 0 0 "[ . 1 . 2]" 1
545 1 56 VAL H 1 56 VAL QG . . 2.990 2.121 1.930 2.508 . 0 0 "[ . 1 . 2]" 1
546 1 54 VAL MG2 1 56 VAL H . . 5.110 4.676 4.277 5.120 0.010 7 0 "[ . 1 . 2]" 1
547 1 60 ASP HA 1 61 GLY H . . 3.460 3.055 2.673 3.475 0.015 13 0 "[ . 1 . 2]" 1
548 1 59 VAL HA 1 61 GLY H . . 4.860 3.720 3.497 4.276 . 0 0 "[ . 1 . 2]" 1
549 1 60 ASP HB2 1 61 GLY H . . 4.410 4.284 3.852 4.453 0.043 5 0 "[ . 1 . 2]" 1
550 1 60 ASP HB3 1 61 GLY H . . 4.410 3.908 2.939 4.394 . 0 0 "[ . 1 . 2]" 1
551 1 59 VAL HB 1 61 GLY H . . 5.030 4.075 2.939 4.930 . 0 0 "[ . 1 . 2]" 1
552 1 63 LYS H 1 64 LEU H . . 4.560 4.196 3.793 4.506 . 0 0 "[ . 1 . 2]" 1
553 1 62 LEU H 1 63 LYS H . . 3.270 2.432 1.992 2.885 . 0 0 "[ . 1 . 2]" 1
554 1 61 GLY HA3 1 63 LYS H . . 4.140 3.720 3.480 3.963 . 0 0 "[ . 1 . 2]" 1
555 1 61 GLY HA2 1 63 LYS H . . 4.660 4.364 4.069 4.666 0.006 2 0 "[ . 1 . 2]" 1
556 1 63 LYS H 1 63 LYS QE . . 5.010 4.766 4.273 5.057 0.047 15 0 "[ . 1 . 2]" 1
557 1 63 LYS H 1 63 LYS HB2 . . 4.050 3.194 2.598 4.021 . 0 0 "[ . 1 . 2]" 1
558 1 63 LYS H 1 63 LYS HB3 . . 4.050 3.583 2.892 3.924 . 0 0 "[ . 1 . 2]" 1
559 1 63 LYS H 1 63 LYS QD . . 5.180 4.436 3.785 5.106 . 0 0 "[ . 1 . 2]" 1
560 1 63 LYS H 1 63 LYS HG2 . . 4.130 3.237 2.203 4.030 . 0 0 "[ . 1 . 2]" 1
561 1 63 LYS H 1 63 LYS HG3 . . 4.130 3.069 2.329 3.828 . 0 0 "[ . 1 . 2]" 1
562 1 62 LEU MD1 1 63 LYS H . . 5.500 4.876 4.122 5.496 . 0 0 "[ . 1 . 2]" 1
563 1 62 LEU MD2 1 63 LYS H . . 5.500 4.924 4.215 5.473 . 0 0 "[ . 1 . 2]" 1
564 1 59 VAL MG1 1 63 LYS H . . 5.500 4.230 3.148 5.536 0.036 15 0 "[ . 1 . 2]" 1
565 1 59 VAL MG2 1 63 LYS H . . 5.500 4.719 2.592 5.526 0.026 8 0 "[ . 1 . 2]" 1
566 1 67 LYS H 1 68 ARG H . . 4.800 4.356 4.173 4.472 . 0 0 "[ . 1 . 2]" 1
567 1 55 MET H 1 67 LYS H . . 3.520 2.782 2.325 3.038 . 0 0 "[ . 1 . 2]" 1
568 1 66 VAL HA 1 67 LYS H . . 3.070 2.207 2.155 2.318 . 0 0 "[ . 1 . 2]" 1
569 1 54 VAL HA 1 67 LYS H . . 4.470 4.205 3.967 4.426 . 0 0 "[ . 1 . 2]" 1
570 1 57 VAL HB 1 67 LYS H . . 5.500 4.715 3.871 5.507 0.007 20 0 "[ . 1 . 2]" 1
571 1 66 VAL HB 1 67 LYS H . . 3.350 2.975 2.611 3.220 . 0 0 "[ . 1 . 2]" 1
572 1 54 VAL HB 1 67 LYS H . . 3.820 2.874 2.526 3.133 . 0 0 "[ . 1 . 2]" 1
573 1 67 LYS H 1 67 LYS QG . . 3.800 3.096 2.041 3.557 . 0 0 "[ . 1 . 2]" 1
574 1 67 LYS H 1 69 ILE MG . . 4.240 4.137 3.872 4.248 0.008 17 0 "[ . 1 . 2]" 1
575 1 66 VAL MG1 1 67 LYS H . . 4.160 3.873 3.695 4.044 . 0 0 "[ . 1 . 2]" 1
576 1 54 VAL MG1 1 67 LYS H . . 4.330 4.113 3.777 4.333 0.003 4 0 "[ . 1 . 2]" 1
577 1 66 VAL MG2 1 67 LYS H . . 4.560 3.802 3.456 3.971 . 0 0 "[ . 1 . 2]" 1
578 1 54 VAL MG2 1 67 LYS H . . 4.350 4.020 3.778 4.235 . 0 0 "[ . 1 . 2]" 1
579 1 64 LEU H 1 65 LYS H . . 5.180 4.079 3.729 4.531 . 0 0 "[ . 1 . 2]" 1
580 1 64 LEU HA 1 65 LYS H . . 2.930 2.207 2.139 2.436 . 0 0 "[ . 1 . 2]" 1
581 1 59 VAL HA 1 65 LYS H . . 3.920 3.576 3.039 3.838 . 0 0 "[ . 1 . 2]" 1
582 1 56 VAL HA 1 65 LYS H . . 5.290 5.004 4.619 5.293 0.003 14 0 "[ . 1 . 2]" 1
583 1 65 LYS H 1 65 LYS HB2 . . 3.550 2.302 2.136 2.563 . 0 0 "[ . 1 . 2]" 1
584 1 65 LYS H 1 65 LYS HB3 . . 3.550 3.241 2.480 3.582 0.032 18 0 "[ . 1 . 2]" 1
585 1 56 VAL QG 1 65 LYS H . . 3.590 3.390 3.147 3.600 0.010 14 0 "[ . 1 . 2]" 1
586 1 68 ARG H 1 69 ILE H . . 4.690 4.534 4.456 4.590 . 0 0 "[ . 1 . 2]" 1
587 1 55 MET H 1 69 ILE H . . 4.610 4.365 4.176 4.547 . 0 0 "[ . 1 . 2]" 1
588 1 53 ARG H 1 69 ILE H . . 5.500 4.944 4.345 5.494 . 0 0 "[ . 1 . 2]" 1
589 1 54 VAL HA 1 69 ILE H . . 3.390 2.853 2.568 3.086 . 0 0 "[ . 1 . 2]" 1
590 1 68 ARG HA 1 69 ILE H . . 2.940 2.155 2.140 2.183 . 0 0 "[ . 1 . 2]" 1
591 1 69 ILE H 1 70 PRO HD3 . . 4.930 4.825 4.770 4.920 . 0 0 "[ . 1 . 2]" 1
592 1 69 ILE H 1 70 PRO HD2 . . 4.920 4.829 4.823 4.834 . 0 0 "[ . 1 . 2]" 1
593 1 69 ILE H 1 69 ILE HB . . 3.850 3.788 3.733 3.823 . 0 0 "[ . 1 . 2]" 1
594 1 69 ILE H 1 69 ILE HG12 . . 3.550 2.332 2.172 2.615 . 0 0 "[ . 1 . 2]" 1
595 1 69 ILE H 1 69 ILE HG13 . . 3.550 2.733 2.387 3.025 . 0 0 "[ . 1 . 2]" 1
596 1 69 ILE H 1 69 ILE MD . . 4.070 3.883 3.798 3.956 . 0 0 "[ . 1 . 2]" 1
597 1 54 VAL MG1 1 69 ILE H . . 3.660 3.207 2.791 3.488 . 0 0 "[ . 1 . 2]" 1
598 1 54 VAL MG2 1 69 ILE H . . 5.500 5.323 4.990 5.504 0.004 18 0 "[ . 1 . 2]" 1
599 1 38 ASP HA 1 39 LYS H . . 2.880 2.145 2.137 2.184 . 0 0 "[ . 1 . 2]" 1
600 1 1 ARG H1 1 1 ARG HG2 . . 4.960 3.540 1.946 4.802 . 0 0 "[ . 1 . 2]" 1
601 1 1 ARG H1 1 1 ARG HG3 . . 4.960 3.600 2.077 4.564 . 0 0 "[ . 1 . 2]" 1
602 1 59 VAL MG2 1 61 GLY H . . 4.620 3.581 1.850 4.623 0.003 1 0 "[ . 1 . 2]" 1
603 1 29 ASP H 1 29 ASP HB3 . . 4.040 3.176 2.311 3.591 . 0 0 "[ . 1 . 2]" 1
604 1 7 ILE H 1 7 ILE HB . . 3.690 2.772 2.444 3.680 . 0 0 "[ . 1 . 2]" 1
605 1 15 GLU H 1 15 GLU QB . . 3.880 2.597 2.435 3.037 . 0 0 "[ . 1 . 2]" 1
606 1 30 HIS H 1 31 TYR H . . 4.390 4.313 4.240 4.365 . 0 0 "[ . 1 . 2]" 1
607 1 29 ASP H 1 30 HIS H . . 2.970 2.684 2.503 2.788 . 0 0 "[ . 1 . 2]" 1
608 1 27 ALA H 1 30 HIS H . . 4.030 4.022 3.991 4.039 0.009 6 0 "[ . 1 . 2]" 1
609 1 28 GLU HA 1 30 HIS H . . 4.640 4.320 4.216 4.454 . 0 0 "[ . 1 . 2]" 1
610 1 29 ASP HB2 1 30 HIS H . . 4.520 3.234 2.650 4.074 . 0 0 "[ . 1 . 2]" 1
611 1 30 HIS H 1 30 HIS HB2 . . 4.140 4.009 3.182 4.073 . 0 0 "[ . 1 . 2]" 1
612 1 30 HIS H 1 30 HIS HB3 . . 4.140 3.443 3.338 3.534 . 0 0 "[ . 1 . 2]" 1
613 1 29 ASP HB3 1 30 HIS H . . 4.520 3.308 2.581 4.128 . 0 0 "[ . 1 . 2]" 1
614 1 26 ILE MG 1 30 HIS H . . 5.500 5.283 5.061 5.405 . 0 0 "[ . 1 . 2]" 1
615 1 30 HIS H 1 41 ILE MG . . 5.500 5.443 4.930 5.522 0.022 3 0 "[ . 1 . 2]" 1
616 1 27 ALA MB 1 30 HIS H . . 3.440 2.354 2.123 2.506 . 0 0 "[ . 1 . 2]" 1
617 1 13 THR MG 1 15 GLU H . . 4.780 2.003 1.851 2.458 . 0 0 "[ . 1 . 2]" 1
618 1 11 LYS H 1 11 LYS QB . . 3.020 2.634 2.241 2.907 . 0 0 "[ . 1 . 2]" 1
619 1 25 LYS HA 1 26 ILE H . . 3.120 2.344 2.260 2.517 . 0 0 "[ . 1 . 2]" 1
620 1 41 ILE HA 1 42 ALA H . . 3.270 2.222 2.180 2.269 . 0 0 "[ . 1 . 2]" 1
621 1 27 ALA H 1 29 ASP H . . 5.500 5.465 5.371 5.520 0.020 9 0 "[ . 1 . 2]" 1
622 1 49 SER HA 1 50 LEU H . . 2.920 2.223 2.170 2.653 . 0 0 "[ . 1 . 2]" 1
623 1 39 LYS H 1 39 LYS HB2 . . 3.290 2.439 2.153 2.644 . 0 0 "[ . 1 . 2]" 1
624 1 39 LYS H 1 39 LYS HG3 . . 3.310 2.453 2.139 3.057 . 0 0 "[ . 1 . 2]" 1
625 1 39 LYS H 1 39 LYS HG2 . . 4.100 3.293 2.704 4.071 . 0 0 "[ . 1 . 2]" 1
626 1 34 GLU HB2 1 38 ASP H . . 4.980 4.913 4.663 5.012 0.032 20 0 "[ . 1 . 2]" 1
627 1 35 VAL HB 1 38 ASP H . . 4.670 4.289 4.029 4.443 . 0 0 "[ . 1 . 2]" 1
628 1 39 LYS H 1 39 LYS HE2 . . 5.500 4.958 3.677 5.496 . 0 0 "[ . 1 . 2]" 1
629 1 39 LYS H 1 39 LYS HE3 . . 5.500 5.084 4.143 5.527 0.027 9 0 "[ . 1 . 2]" 1
630 1 23 VAL H 1 24 VAL H . . 4.750 4.339 4.038 4.555 . 0 0 "[ . 1 . 2]" 1
631 1 40 TRP H 1 41 ILE H . . 4.510 4.442 4.394 4.516 0.006 11 0 "[ . 1 . 2]" 1
632 1 43 TYR H 1 44 SER H . . 4.810 4.258 4.136 4.393 . 0 0 "[ . 1 . 2]" 1
633 1 44 SER H 1 45 ASP H . . 4.410 4.280 3.998 4.416 0.006 3 0 "[ . 1 . 2]" 1
634 1 55 MET H 1 56 VAL H . . 4.790 4.448 4.345 4.543 . 0 0 "[ . 1 . 2]" 1
635 1 56 VAL H 1 57 VAL H . . 5.320 4.428 4.227 4.569 . 0 0 "[ . 1 . 2]" 1
636 1 59 VAL H 1 60 ASP H . . 4.490 4.234 3.924 4.409 . 0 0 "[ . 1 . 2]" 1
637 1 65 LYS H 1 66 VAL H . . 4.650 4.535 4.323 4.634 . 0 0 "[ . 1 . 2]" 1
638 1 72 GLN H 1 73 LEU H . . 3.580 2.741 1.901 3.600 0.020 17 0 "[ . 1 . 2]" 1
639 1 5 THR H 1 6 ASP H . . 3.910 2.956 1.877 3.910 0.000 6 0 "[ . 1 . 2]" 1
640 1 11 LYS H 1 12 TYR H . . 3.380 2.674 2.045 3.149 . 0 0 "[ . 1 . 2]" 1
641 1 48 LEU MD1 1 54 VAL MG1 . . 3.850 2.401 1.904 2.873 . 0 0 "[ . 1 . 2]" 1
642 1 16 LEU HA 1 16 LEU MD2 . . 4.130 3.561 3.504 3.589 . 0 0 "[ . 1 . 2]" 1
643 1 13 THR HA 1 16 LEU MD2 . . 5.500 5.247 5.046 5.398 . 0 0 "[ . 1 . 2]" 1
644 1 56 VAL QG 1 64 LEU MD2 . . 3.490 2.896 1.663 3.471 . 0 0 "[ . 1 . 2]" 1
645 1 64 LEU H 1 64 LEU MD2 . . 4.250 2.723 1.807 4.259 0.009 4 0 "[ . 1 . 2]" 1
646 1 56 VAL QG 1 64 LEU MD1 . . 3.490 2.357 1.644 3.480 . 0 0 "[ . 1 . 2]" 1
647 1 41 ILE HB 1 41 ILE MD . . 3.720 2.424 2.094 3.230 . 0 0 "[ . 1 . 2]" 1
648 1 41 ILE HA 1 41 ILE MD . . 4.030 3.016 1.935 3.877 . 0 0 "[ . 1 . 2]" 1
649 1 26 ILE MD 1 26 ILE MG . . 3.460 2.768 2.299 3.199 . 0 0 "[ . 1 . 2]" 1
650 1 26 ILE HB 1 26 ILE MD . . 3.470 2.192 2.078 2.309 . 0 0 "[ . 1 . 2]" 1
651 1 26 ILE MD 1 50 LEU HA . . 4.150 3.008 2.333 3.704 . 0 0 "[ . 1 . 2]" 1
652 1 26 ILE MD 1 49 SER HB3 . . 5.160 4.618 4.122 5.097 . 0 0 "[ . 1 . 2]" 1
653 1 26 ILE MD 1 49 SER HA . . 3.880 2.774 2.268 3.233 . 0 0 "[ . 1 . 2]" 1
654 1 26 ILE H 1 26 ILE MD . . 4.120 3.169 2.319 4.019 . 0 0 "[ . 1 . 2]" 1
655 1 26 ILE MD 1 49 SER H . . 4.000 3.365 2.504 3.997 . 0 0 "[ . 1 . 2]" 1
656 1 7 ILE HA 1 7 ILE MD . . 4.370 3.604 2.225 4.178 . 0 0 "[ . 1 . 2]" 1
657 1 69 ILE MD 1 69 ILE MG . . 2.810 2.167 1.919 2.376 . 0 0 "[ . 1 . 2]" 1
658 1 69 ILE HB 1 69 ILE MD . . 3.310 2.309 2.144 2.416 . 0 0 "[ . 1 . 2]" 1
659 1 55 MET ME 1 69 ILE MD . . 3.670 3.271 2.757 3.673 0.003 19 0 "[ . 1 . 2]" 1
660 1 69 ILE HA 1 69 ILE MD . . 4.370 4.165 4.124 4.182 . 0 0 "[ . 1 . 2]" 1
661 1 54 VAL HA 1 69 ILE MD . . 4.170 3.381 3.169 3.546 . 0 0 "[ . 1 . 2]" 1
662 1 54 VAL H 1 69 ILE MD . . 4.550 3.926 3.658 4.276 . 0 0 "[ . 1 . 2]" 1
663 1 54 VAL MG2 1 66 VAL HB . . 3.700 2.003 1.903 2.130 . 0 0 "[ . 1 . 2]" 1
664 1 53 ARG HA 1 54 VAL MG2 . . 3.910 3.713 3.515 3.852 . 0 0 "[ . 1 . 2]" 1
665 1 54 VAL MG2 1 55 MET H . . 3.950 3.622 3.296 3.851 . 0 0 "[ . 1 . 2]" 1
666 1 23 VAL H 1 54 VAL MG2 . . 4.230 3.652 2.980 4.247 0.017 19 0 "[ . 1 . 2]" 1
667 1 48 LEU MD1 1 66 VAL MG2 . . 3.320 2.228 1.905 2.427 . 0 0 "[ . 1 . 2]" 1
668 1 42 ALA MB 1 66 VAL MG2 . . 3.320 2.372 1.896 2.896 . 0 0 "[ . 1 . 2]" 1
669 1 54 VAL HB 1 66 VAL MG2 . . 3.670 3.161 2.380 3.523 . 0 0 "[ . 1 . 2]" 1
670 1 43 TYR HA 1 66 VAL MG2 . . 5.250 4.524 4.127 5.149 . 0 0 "[ . 1 . 2]" 1
671 1 54 VAL HA 1 66 VAL MG2 . . 5.500 5.179 4.450 5.511 0.011 15 0 "[ . 1 . 2]" 1
672 1 65 LYS HA 1 66 VAL MG2 . . 4.130 3.726 3.460 3.955 . 0 0 "[ . 1 . 2]" 1
673 1 26 ILE HA 1 27 ALA MB . . 4.270 3.833 3.795 3.872 . 0 0 "[ . 1 . 2]" 1
674 1 27 ALA MB 1 29 ASP H . . 4.410 2.922 2.644 3.122 . 0 0 "[ . 1 . 2]" 1
675 1 23 VAL MG2 1 33 VAL HA . . 5.180 4.929 3.859 5.182 0.002 16 0 "[ . 1 . 2]" 1
676 1 23 VAL MG2 1 52 ASP H . . 4.130 1.929 1.729 3.524 . 0 0 "[ . 1 . 2]" 1
677 1 23 VAL MG2 1 24 VAL H . . 4.520 4.196 3.815 4.266 . 0 0 "[ . 1 . 2]" 1
678 1 23 VAL HA 1 24 VAL MG2 . . 4.400 3.711 3.474 3.883 . 0 0 "[ . 1 . 2]" 1
679 1 24 VAL MG2 1 33 VAL HA . . 4.860 3.271 2.667 3.702 . 0 0 "[ . 1 . 2]" 1
680 1 32 LEU HA 1 41 ILE MG . . 5.430 4.994 4.270 5.370 . 0 0 "[ . 1 . 2]" 1
681 1 30 HIS HB2 1 41 ILE MG . . 4.100 2.093 1.822 3.209 . 0 0 "[ . 1 . 2]" 1
682 1 30 HIS HB3 1 41 ILE MG . . 4.100 2.978 2.637 3.121 . 0 0 "[ . 1 . 2]" 1
683 1 41 ILE HA 1 41 ILE MG . . 3.430 2.402 2.303 2.471 . 0 0 "[ . 1 . 2]" 1
684 1 41 ILE MG 1 63 LYS HA . . 4.280 4.053 3.670 4.289 0.009 15 0 "[ . 1 . 2]" 1
685 1 31 TYR H 1 41 ILE MG . . 4.060 3.584 3.308 3.990 . 0 0 "[ . 1 . 2]" 1
686 1 41 ILE H 1 41 ILE MG . . 4.400 3.822 3.768 3.863 . 0 0 "[ . 1 . 2]" 1
687 1 41 ILE MG 1 42 ALA H . . 3.450 3.325 3.095 3.457 0.007 14 0 "[ . 1 . 2]" 1
688 1 55 MET HB3 1 69 ILE MG . . 3.410 2.517 1.991 3.001 . 0 0 "[ . 1 . 2]" 1
689 1 7 ILE HA 1 7 ILE MG . . 3.500 2.329 2.139 2.457 . 0 0 "[ . 1 . 2]" 1
690 1 69 ILE HA 1 69 ILE MG . . 3.450 2.271 2.162 2.404 . 0 0 "[ . 1 . 2]" 1
691 1 54 VAL HA 1 69 ILE MG . . 4.350 3.111 2.800 3.399 . 0 0 "[ . 1 . 2]" 1
692 1 57 VAL MG2 1 67 LYS QE . . 4.000 2.848 1.845 3.969 . 0 0 "[ . 1 . 2]" 1
693 1 57 VAL H 1 57 VAL MG2 . . 3.980 3.148 1.824 3.844 . 0 0 "[ . 1 . 2]" 1
694 1 48 LEU MD2 1 68 ARG QD . . 3.870 3.251 2.619 3.857 . 0 0 "[ . 1 . 2]" 1
695 1 54 VAL HA 1 54 VAL MG1 . . 3.410 2.310 2.185 2.437 . 0 0 "[ . 1 . 2]" 1
696 1 48 LEU HA 1 48 LEU MD2 . . 3.370 2.213 1.976 2.377 . 0 0 "[ . 1 . 2]" 1
697 1 48 LEU MD2 1 49 SER H . . 3.890 3.542 3.277 3.782 . 0 0 "[ . 1 . 2]" 1
698 1 33 VAL HB 1 35 VAL MG2 . . 3.900 2.911 2.681 3.145 . 0 0 "[ . 1 . 2]" 1
699 1 35 VAL HA 1 35 VAL MG2 . . 3.480 2.445 2.316 2.509 . 0 0 "[ . 1 . 2]" 1
700 1 22 LYS H 1 35 VAL MG2 . . 4.110 4.020 3.764 4.121 0.011 14 0 "[ . 1 . 2]" 1
701 1 21 GLY H 1 35 VAL MG2 . . 4.400 3.797 3.604 4.063 . 0 0 "[ . 1 . 2]" 1
702 1 35 VAL H 1 35 VAL MG2 . . 3.910 2.600 2.431 2.800 . 0 0 "[ . 1 . 2]" 1
703 1 35 VAL MG2 1 36 GLU H . . 4.240 4.102 3.979 4.182 . 0 0 "[ . 1 . 2]" 1
704 1 33 VAL MG1 1 54 VAL MG2 . . 3.080 1.927 1.768 2.210 . 0 0 "[ . 1 . 2]" 1
705 1 33 VAL MG1 1 42 ALA MB . . 4.020 3.795 3.448 4.020 . 2 0 "[ . 1 . 2]" 1
706 1 33 VAL HA 1 33 VAL MG1 . . 3.630 2.055 2.016 2.160 . 0 0 "[ . 1 . 2]" 1
707 1 33 VAL MG1 1 34 GLU H . . 3.790 2.635 1.970 3.077 . 0 0 "[ . 1 . 2]" 1
708 1 56 VAL QG 1 64 LEU HB2 . . 3.880 1.908 1.671 2.572 . 0 0 "[ . 1 . 2]" 1
709 1 17 LYS HA 1 56 VAL QG . . 3.560 2.004 1.848 2.191 . 0 0 "[ . 1 . 2]" 1
710 1 33 VAL MG2 1 42 ALA MB . . 3.220 1.980 1.756 2.214 . 0 0 "[ . 1 . 2]" 1
711 1 33 VAL MG2 1 40 TRP HB2 . . 4.220 3.668 3.495 3.889 . 0 0 "[ . 1 . 2]" 1
712 1 33 VAL MG2 1 40 TRP HB3 . . 4.600 4.404 4.133 4.605 0.005 6 0 "[ . 1 . 2]" 1
713 1 23 VAL HA 1 33 VAL MG2 . . 4.000 3.593 3.265 4.004 0.004 19 0 "[ . 1 . 2]" 1
714 1 33 VAL HA 1 33 VAL MG2 . . 3.730 2.617 2.548 2.676 . 0 0 "[ . 1 . 2]" 1
715 1 32 LEU HA 1 33 VAL MG2 . . 4.400 3.480 3.369 3.602 . 0 0 "[ . 1 . 2]" 1
716 1 33 VAL MG2 1 34 GLU H . . 4.370 4.306 4.105 4.372 0.002 1 0 "[ . 1 . 2]" 1
717 1 33 VAL MG2 1 42 ALA H . . 4.110 2.774 2.526 3.022 . 0 0 "[ . 1 . 2]" 1
718 1 56 VAL HA 1 66 VAL MG1 . . 3.510 2.741 2.432 3.210 . 0 0 "[ . 1 . 2]" 1
719 1 59 VAL HA 1 59 VAL MG2 . . 3.750 2.440 2.245 3.137 . 0 0 "[ . 1 . 2]" 1
720 1 35 VAL MG1 1 36 GLU QG . . 3.480 2.515 2.065 3.239 . 0 0 "[ . 1 . 2]" 1
721 1 35 VAL HA 1 35 VAL MG1 . . 3.400 2.380 2.296 2.447 . 0 0 "[ . 1 . 2]" 1
722 1 59 VAL MG1 1 61 GLY H . . 4.620 2.694 1.705 4.541 . 0 0 "[ . 1 . 2]" 1
723 1 13 THR MG 1 16 LEU MD2 . . 3.990 2.521 2.129 3.192 . 0 0 "[ . 1 . 2]" 1
724 1 13 THR MG 1 16 LEU MD1 . . 3.990 2.030 1.837 2.469 . 0 0 "[ . 1 . 2]" 1
725 1 24 VAL MG1 1 39 LYS HE3 . . 5.570 4.313 2.765 5.391 . 0 0 "[ . 1 . 2]" 1
726 1 23 VAL HA 1 24 VAL MG1 . . 4.400 3.968 3.700 4.406 0.006 1 0 "[ . 1 . 2]" 1
727 1 57 VAL HA 1 57 VAL MG1 . . 3.510 2.845 2.059 3.203 . 0 0 "[ . 1 . 2]" 1
728 1 57 VAL H 1 57 VAL MG1 . . 3.980 2.639 1.879 3.768 . 0 0 "[ . 1 . 2]" 1
729 1 23 VAL MG1 1 49 SER H . . 4.750 4.011 2.778 4.369 . 0 0 "[ . 1 . 2]" 1
730 1 50 LEU HA 1 50 LEU MD2 . . 4.020 2.602 1.983 3.799 . 0 0 "[ . 1 . 2]" 1
731 1 50 LEU HA 1 50 LEU MD1 . . 4.020 3.355 1.975 3.945 . 0 0 "[ . 1 . 2]" 1
732 1 32 LEU HA 1 32 LEU MD1 . . 3.890 2.635 1.935 3.862 . 0 0 "[ . 1 . 2]" 1
733 1 73 LEU HA 1 73 LEU MD1 . . 4.230 3.620 2.639 4.017 . 0 0 "[ . 1 . 2]" 1
734 1 32 LEU HA 1 32 LEU MD2 . . 3.890 2.477 1.952 3.827 . 0 0 "[ . 1 . 2]" 1
735 1 42 ALA H 1 42 ALA MB . . 3.530 2.452 2.389 2.548 . 0 0 "[ . 1 . 2]" 1
736 1 33 VAL H 1 42 ALA MB . . 4.340 4.158 3.906 4.340 . 0 0 "[ . 1 . 2]" 1
737 1 65 LYS QG 1 66 VAL H . . 3.950 3.382 1.869 3.939 . 0 0 "[ . 1 . 2]" 1
738 1 16 LEU HG 1 56 VAL QG . . 4.220 3.830 3.590 4.111 . 0 0 "[ . 1 . 2]" 1
739 1 26 ILE H 1 26 ILE HG13 . . 4.670 3.397 2.906 3.836 . 0 0 "[ . 1 . 2]" 1
740 1 16 LEU HG 1 40 TRP HD1 . . 5.370 4.233 3.887 4.573 . 0 0 "[ . 1 . 2]" 1
741 1 16 LEU HG 1 40 TRP HH2 . . 4.900 4.269 3.904 4.580 . 0 0 "[ . 1 . 2]" 1
742 1 26 ILE HG13 1 26 ILE MG . . 3.660 2.904 2.623 3.165 . 0 0 "[ . 1 . 2]" 1
743 1 48 LEU MD2 1 68 ARG HG3 . . 5.500 4.927 4.028 5.502 0.002 7 0 "[ . 1 . 2]" 1
744 1 54 VAL MG1 1 68 ARG HG3 . . 5.500 4.359 3.768 4.703 . 0 0 "[ . 1 . 2]" 1
745 1 68 ARG H 1 68 ARG HG3 . . 5.250 4.403 4.335 4.527 . 0 0 "[ . 1 . 2]" 1
746 1 48 LEU MD2 1 68 ARG HG2 . . 5.500 4.792 4.043 5.381 . 0 0 "[ . 1 . 2]" 1
747 1 54 VAL MG1 1 68 ARG HG2 . . 5.500 5.147 4.799 5.475 . 0 0 "[ . 1 . 2]" 1
748 1 68 ARG H 1 68 ARG HG2 . . 5.250 4.468 4.147 4.613 . 0 0 "[ . 1 . 2]" 1
749 1 19 LYS HA 1 19 LYS QD . . 4.540 3.446 2.636 4.397 . 0 0 "[ . 1 . 2]" 1
750 1 53 ARG HA 1 53 ARG HG3 . . 4.250 2.612 2.182 3.982 . 0 0 "[ . 1 . 2]" 1
751 1 53 ARG HA 1 53 ARG HG2 . . 4.250 3.180 2.471 3.987 . 0 0 "[ . 1 . 2]" 1
752 1 53 ARG H 1 53 ARG HG2 . . 4.780 4.170 1.890 4.865 0.085 4 0 "[ . 1 . 2]" 1
753 1 53 ARG HG2 1 54 VAL H . . 4.790 3.830 3.004 4.814 0.024 11 0 "[ . 1 . 2]" 1
754 1 27 ALA HA 1 28 GLU HB2 . . 4.890 4.307 4.293 4.350 . 0 0 "[ . 1 . 2]" 1
755 1 27 ALA HA 1 28 GLU HB3 . . 5.360 5.081 5.046 5.209 . 0 0 "[ . 1 . 2]" 1
756 1 28 GLU HB2 1 29 ASP H . . 3.780 3.465 3.381 3.574 . 0 0 "[ . 1 . 2]" 1
757 1 28 GLU HB2 1 30 HIS H . . 5.500 5.475 5.413 5.510 0.010 3 0 "[ . 1 . 2]" 1
758 1 28 GLU HB3 1 30 HIS H . . 5.240 4.811 4.734 4.864 . 0 0 "[ . 1 . 2]" 1
759 1 28 GLU H 1 28 GLU HB3 . . 3.860 2.980 2.879 3.049 . 0 0 "[ . 1 . 2]" 1
760 1 27 ALA MB 1 28 GLU HB2 . . 4.710 4.665 4.432 4.714 0.004 19 0 "[ . 1 . 2]" 1
761 1 27 ALA MB 1 28 GLU HB3 . . 4.920 4.620 4.427 4.717 . 0 0 "[ . 1 . 2]" 1
762 1 17 LYS HA 1 17 LYS QD . . 4.560 3.276 1.985 4.159 . 0 0 "[ . 1 . 2]" 1
763 1 22 LYS QD 1 51 GLY HA3 . . 4.600 3.855 3.170 4.604 0.004 2 0 "[ . 1 . 2]" 1
764 1 72 GLN HB2 1 73 LEU H . . 4.480 4.069 3.416 4.484 0.004 9 0 "[ . 1 . 2]" 1
765 1 72 GLN H 1 72 GLN HB2 . . 3.820 2.856 2.236 3.757 . 0 0 "[ . 1 . 2]" 1
766 1 63 LYS HB2 1 63 LYS QE . . 4.780 3.342 2.066 4.306 . 0 0 "[ . 1 . 2]" 1
767 1 63 LYS HB3 1 63 LYS QE . . 4.780 3.340 1.987 4.487 . 0 0 "[ . 1 . 2]" 1
768 1 59 VAL H 1 59 VAL HB . . 3.920 3.004 2.527 3.807 . 0 0 "[ . 1 . 2]" 1
769 1 58 ASP H 1 65 LYS HB2 . . 4.450 3.269 2.463 4.440 . 0 0 "[ . 1 . 2]" 1
770 1 53 ARG HB3 1 69 ILE MD . . 4.770 3.264 2.471 4.682 . 0 0 "[ . 1 . 2]" 1
771 1 53 ARG HB2 1 69 ILE MD . . 4.770 4.111 2.925 4.634 . 0 0 "[ . 1 . 2]" 1
772 1 53 ARG HB2 1 54 VAL H . . 4.430 4.115 2.513 4.451 0.021 20 0 "[ . 1 . 2]" 1
773 1 17 LYS HB2 1 17 LYS QE . . 5.050 3.448 2.346 4.311 . 0 0 "[ . 1 . 2]" 1
774 1 17 LYS HB3 1 17 LYS QE . . 5.050 3.368 2.163 4.390 . 0 0 "[ . 1 . 2]" 1
775 1 17 LYS HB2 1 18 GLY H . . 4.850 4.442 4.052 4.631 . 0 0 "[ . 1 . 2]" 1
776 1 19 LYS HA 1 20 VAL HB . . 4.940 4.611 4.415 4.791 . 0 0 "[ . 1 . 2]" 1
777 1 72 GLN H 1 72 GLN QG . . 4.090 3.045 1.912 4.122 0.032 11 0 "[ . 1 . 2]" 1
778 1 72 GLN QG 1 73 LEU H . . 4.780 3.844 2.181 4.645 . 0 0 "[ . 1 . 2]" 1
779 1 72 GLN QG 1 74 GLU H . . 5.400 4.764 3.591 5.387 . 0 0 "[ . 1 . 2]" 1
780 1 40 TRP HB3 1 41 ILE MD . . 5.440 4.202 3.622 5.440 . 10 0 "[ . 1 . 2]" 1
781 1 40 TRP HB3 1 64 LEU HG . . 4.510 3.141 2.688 4.251 . 0 0 "[ . 1 . 2]" 1
782 1 40 TRP HB2 1 41 ILE H . . 5.060 3.593 3.389 4.002 . 0 0 "[ . 1 . 2]" 1
783 1 23 VAL HB 1 50 LEU HA . . 4.140 3.462 3.182 4.078 . 0 0 "[ . 1 . 2]" 1
784 1 71 PRO HB2 1 72 GLN H . . 4.220 2.540 1.951 3.561 . 0 0 "[ . 1 . 2]" 1
785 1 70 PRO HB2 1 71 PRO HD2 . . 4.570 2.552 2.004 3.250 . 0 0 "[ . 1 . 2]" 1
786 1 55 MET HG2 1 69 ILE MG . . 4.800 4.518 4.145 4.801 0.001 5 0 "[ . 1 . 2]" 1
787 1 18 GLY HA2 1 55 MET HG2 . . 4.400 3.408 3.075 3.660 . 0 0 "[ . 1 . 2]" 1
788 1 18 GLY HA2 1 55 MET HG3 . . 4.350 3.825 3.442 4.372 0.022 12 0 "[ . 1 . 2]" 1
789 1 18 GLY HA3 1 55 MET HG2 . . 5.040 4.954 4.692 5.098 0.058 12 0 "[ . 1 . 2]" 1
790 1 55 MET HA 1 55 MET HG2 . . 4.080 3.132 2.889 3.412 . 0 0 "[ . 1 . 2]" 1
791 1 55 MET HA 1 55 MET HG3 . . 3.830 2.586 2.325 2.854 . 0 0 "[ . 1 . 2]" 1
792 1 55 MET HG2 1 57 VAL H . . 5.500 4.853 4.213 5.493 . 0 0 "[ . 1 . 2]" 1
793 1 55 MET H 1 55 MET HG3 . . 4.770 4.663 4.548 4.777 0.007 7 0 "[ . 1 . 2]" 1
794 1 18 GLY H 1 55 MET HG2 . . 4.870 3.903 3.405 4.283 . 0 0 "[ . 1 . 2]" 1
795 1 21 GLY H 1 55 MET HG3 . . 5.500 5.145 4.761 5.501 0.001 10 0 "[ . 1 . 2]" 1
796 1 55 MET HG2 1 56 VAL H . . 4.030 2.837 2.268 3.339 . 0 0 "[ . 1 . 2]" 1
797 1 55 MET HG2 1 69 ILE MD . . 4.800 4.722 4.561 4.808 0.008 14 0 "[ . 1 . 2]" 1
798 1 55 MET HG3 1 69 ILE MD . . 4.390 4.106 3.886 4.383 . 0 0 "[ . 1 . 2]" 1
799 1 55 MET HG2 1 56 VAL QG . . 4.630 4.196 3.867 4.514 . 0 0 "[ . 1 . 2]" 1
800 1 55 MET HG3 1 56 VAL QG . . 4.630 4.328 3.838 4.647 0.017 18 0 "[ . 1 . 2]" 1
801 1 48 LEU MD1 1 54 VAL MG2 . . 4.000 3.281 2.990 3.644 . 0 0 "[ . 1 . 2]" 1
802 1 22 LYS H 1 54 VAL MG2 . . 4.570 4.451 3.936 4.592 0.022 12 0 "[ . 1 . 2]" 1
803 1 35 VAL MG1 1 36 GLU HB2 . . 4.730 2.966 2.621 4.223 . 0 0 "[ . 1 . 2]" 1
804 1 35 VAL MG1 1 36 GLU HB3 . . 4.730 4.027 2.627 4.273 . 0 0 "[ . 1 . 2]" 1
805 1 36 GLU HB3 1 37 GLY H . . 4.990 4.392 4.288 4.525 . 0 0 "[ . 1 . 2]" 1
806 1 71 PRO QG 1 72 GLN H . . 4.960 4.093 3.644 4.669 . 0 0 "[ . 1 . 2]" 1
807 1 57 VAL HB 1 67 LYS QD . . 4.750 3.740 1.982 4.759 0.009 13 0 "[ . 1 . 2]" 1
808 1 57 VAL H 1 57 VAL HB . . 4.010 2.796 2.605 3.053 . 0 0 "[ . 1 . 2]" 1
809 1 67 LYS HB2 1 68 ARG H . . 4.410 4.095 2.703 4.414 0.004 1 0 "[ . 1 . 2]" 1
810 1 67 LYS HB3 1 68 ARG H . . 4.410 3.363 2.730 4.222 . 0 0 "[ . 1 . 2]" 1
811 1 22 LYS HB2 1 23 VAL H . . 5.070 4.278 3.996 4.449 . 0 0 "[ . 1 . 2]" 1
812 1 54 VAL HB 1 66 VAL HB . . 3.640 2.026 1.994 2.187 . 0 0 "[ . 1 . 2]" 1
813 1 54 VAL HA 1 66 VAL HB . . 4.630 4.389 4.084 4.616 . 0 0 "[ . 1 . 2]" 1
814 1 55 MET HB2 1 69 ILE MG . . 3.870 2.725 2.231 3.169 . 0 0 "[ . 1 . 2]" 1
815 1 55 MET HB2 1 69 ILE MD . . 4.020 2.056 1.968 2.264 . 0 0 "[ . 1 . 2]" 1
816 1 55 MET HB3 1 69 ILE MD . . 3.940 3.189 2.656 3.426 . 0 0 "[ . 1 . 2]" 1
817 1 55 MET H 1 55 MET HB2 . . 4.000 2.986 2.815 3.271 . 0 0 "[ . 1 . 2]" 1
818 1 55 MET HB2 1 56 VAL H . . 4.650 4.114 3.883 4.339 . 0 0 "[ . 1 . 2]" 1
819 1 55 MET HB3 1 56 VAL H . . 4.460 4.052 3.841 4.249 . 0 0 "[ . 1 . 2]" 1
820 1 33 VAL HB 1 54 VAL MG2 . . 4.750 4.123 3.769 4.489 . 0 0 "[ . 1 . 2]" 1
821 1 33 VAL HB 1 42 ALA MB . . 4.230 3.588 3.330 3.862 . 0 0 "[ . 1 . 2]" 1
822 1 32 LEU HA 1 33 VAL HB . . 5.110 5.058 4.993 5.106 . 0 0 "[ . 1 . 2]" 1
823 1 41 ILE HB 1 63 LYS HA . . 4.780 3.541 2.657 4.144 . 0 0 "[ . 1 . 2]" 1
824 1 40 TRP HA 1 41 ILE HB . . 4.930 4.698 4.613 4.832 . 0 0 "[ . 1 . 2]" 1
825 1 26 ILE H 1 26 ILE HB . . 3.600 2.696 2.560 2.841 . 0 0 "[ . 1 . 2]" 1
826 1 24 VAL MG2 1 34 GLU QG . . 4.820 4.563 3.789 4.807 . 0 0 "[ . 1 . 2]" 1
827 1 24 VAL MG1 1 34 GLU QG . . 4.820 3.493 3.213 3.756 . 0 0 "[ . 1 . 2]" 1
828 1 34 GLU QG 1 38 ASP HA . . 4.390 3.905 3.622 4.336 . 0 0 "[ . 1 . 2]" 1
829 1 34 GLU QG 1 39 LYS HA . . 4.710 3.815 3.504 4.197 . 0 0 "[ . 1 . 2]" 1
830 1 34 GLU HA 1 34 GLU QG . . 3.530 2.564 2.452 2.691 . 0 0 "[ . 1 . 2]" 1
831 1 34 GLU QG 1 35 VAL H . . 3.560 3.189 2.739 3.354 . 0 0 "[ . 1 . 2]" 1
832 1 28 GLU HA 1 28 GLU QG . . 3.290 2.415 2.141 2.813 . 0 0 "[ . 1 . 2]" 1
833 1 3 GLU H 1 3 GLU QG . . 3.540 2.988 2.121 3.650 0.110 5 0 "[ . 1 . 2]" 1
834 1 28 GLU QG 1 29 ASP H . . 4.260 4.033 3.889 4.268 0.008 16 0 "[ . 1 . 2]" 1
835 1 65 LYS HA 1 65 LYS QG . . 3.710 2.275 2.128 2.596 . 0 0 "[ . 1 . 2]" 1
836 1 17 LYS H 1 17 LYS HG2 . . 4.770 4.348 4.027 4.648 . 0 0 "[ . 1 . 2]" 1
837 1 19 LYS H 1 19 LYS HG3 . . 4.230 3.153 2.352 3.911 . 0 0 "[ . 1 . 2]" 1
838 1 19 LYS H 1 19 LYS HG2 . . 4.230 3.787 1.882 4.193 . 0 0 "[ . 1 . 2]" 1
839 1 54 VAL HA 1 69 ILE HG12 . . 4.630 2.138 1.996 2.546 . 0 0 "[ . 1 . 2]" 1
840 1 55 MET H 1 69 ILE HG12 . . 5.160 3.102 2.479 3.483 . 0 0 "[ . 1 . 2]" 1
841 1 55 MET H 1 69 ILE HG13 . . 5.160 4.829 4.232 5.147 . 0 0 "[ . 1 . 2]" 1
842 1 54 VAL HA 1 69 ILE HG13 . . 4.630 3.657 3.304 4.262 . 0 0 "[ . 1 . 2]" 1
843 1 26 ILE HG12 1 26 ILE MG . . 3.660 2.142 2.007 2.245 . 0 0 "[ . 1 . 2]" 1
844 1 26 ILE H 1 26 ILE HG12 . . 4.670 4.418 4.247 4.624 . 0 0 "[ . 1 . 2]" 1
845 1 40 TRP HB2 1 64 LEU HG . . 5.390 3.987 3.176 5.393 0.003 4 0 "[ . 1 . 2]" 1
846 1 22 LYS QG 1 34 GLU HB3 . . 5.050 4.972 4.717 5.063 0.013 20 0 "[ . 1 . 2]" 1
847 1 57 VAL MG1 1 67 LYS QG . . 3.920 2.989 2.198 3.810 . 0 0 "[ . 1 . 2]" 1
848 1 57 VAL MG2 1 67 LYS QG . . 3.920 2.981 1.766 3.935 0.015 19 0 "[ . 1 . 2]" 1
849 1 12 TYR H 1 12 TYR HB2 . . 3.870 2.693 2.322 2.915 . 0 0 "[ . 1 . 2]" 1
850 1 14 PHE HB2 1 15 GLU H . . 4.620 4.634 4.602 4.651 0.031 8 0 "[ . 1 . 2]" 1
851 1 43 TYR HD1 1 63 LYS QE . . 5.500 4.395 2.615 5.315 . 0 0 "[ . 1 . 2]" 1
852 1 31 TYR HB2 1 42 ALA MB . . 3.970 3.118 2.857 3.470 . 0 0 "[ . 1 . 2]" 1
853 1 31 TYR HB3 1 42 ALA MB . . 5.160 4.267 3.973 4.512 . 0 0 "[ . 1 . 2]" 1
854 1 26 ILE MG 1 31 TYR HB2 . . 4.860 4.666 4.187 4.834 . 0 0 "[ . 1 . 2]" 1
855 1 31 TYR HB2 1 33 VAL MG2 . . 4.240 3.162 3.059 3.387 . 0 0 "[ . 1 . 2]" 1
856 1 31 TYR HB2 1 33 VAL MG1 . . 5.500 5.408 5.225 5.536 0.036 9 0 "[ . 1 . 2]" 1
857 1 26 ILE MG 1 31 TYR HB3 . . 3.800 3.651 3.413 3.806 0.006 18 0 "[ . 1 . 2]" 1
858 1 31 TYR HB3 1 33 VAL MG2 . . 4.190 3.208 3.067 3.475 . 0 0 "[ . 1 . 2]" 1
859 1 27 ALA MB 1 31 TYR HB3 . . 5.500 5.502 5.461 5.523 0.023 9 0 "[ . 1 . 2]" 1
860 1 31 TYR HB3 1 33 VAL MG1 . . 5.500 5.221 5.073 5.411 . 0 0 "[ . 1 . 2]" 1
861 1 38 ASP HB3 1 39 LYS H . . 3.780 3.533 3.301 3.777 . 0 0 "[ . 1 . 2]" 1
862 1 38 ASP HB2 1 39 LYS H . . 4.550 4.434 4.319 4.519 . 0 0 "[ . 1 . 2]" 1
863 1 58 ASP HB2 1 65 LYS QG . . 5.500 5.153 3.758 5.507 0.007 6 0 "[ . 1 . 2]" 1
864 1 58 ASP HB3 1 65 LYS QG . . 5.500 4.395 2.888 5.475 . 0 0 "[ . 1 . 2]" 1
865 1 57 VAL MG1 1 58 ASP HB2 . . 5.190 3.018 2.355 3.846 . 0 0 "[ . 1 . 2]" 1
866 1 57 VAL MG1 1 58 ASP HB3 . . 5.190 3.577 2.753 4.551 . 0 0 "[ . 1 . 2]" 1
867 1 57 VAL MG2 1 58 ASP HB2 . . 5.190 3.863 2.724 5.202 0.012 11 0 "[ . 1 . 2]" 1
868 1 57 VAL MG2 1 58 ASP HB3 . . 5.190 4.623 3.305 5.211 0.021 20 0 "[ . 1 . 2]" 1
869 1 25 LYS HB3 1 32 LEU HB2 . . 4.050 2.134 1.993 2.750 . 0 0 "[ . 1 . 2]" 1
870 1 32 LEU HB2 1 33 VAL H . . 4.710 4.506 4.395 4.579 . 0 0 "[ . 1 . 2]" 1
871 1 24 VAL H 1 32 LEU HB2 . . 5.180 4.465 3.761 5.176 . 0 0 "[ . 1 . 2]" 1
872 1 26 ILE H 1 32 LEU HB2 . . 5.500 4.646 4.239 5.009 . 0 0 "[ . 1 . 2]" 1
873 1 25 LYS HB3 1 32 LEU HB3 . . 4.280 3.305 1.997 4.180 . 0 0 "[ . 1 . 2]" 1
874 1 56 VAL QG 1 64 LEU HB3 . . 3.880 2.344 1.711 2.833 . 0 0 "[ . 1 . 2]" 1
875 1 16 LEU HB2 1 56 VAL QG . . 4.190 2.480 2.237 2.831 . 0 0 "[ . 1 . 2]" 1
876 1 16 LEU HB3 1 56 VAL QG . . 4.190 2.265 1.952 2.824 . 0 0 "[ . 1 . 2]" 1
877 1 69 ILE HB 1 70 PRO HD2 . . 3.890 2.401 2.141 2.526 . 0 0 "[ . 1 . 2]" 1
878 1 69 ILE MG 1 70 PRO HD2 . . 3.810 3.165 2.944 3.363 . 0 0 "[ . 1 . 2]" 1
879 1 69 ILE MG 1 70 PRO HD3 . . 4.160 3.931 3.809 4.085 . 0 0 "[ . 1 . 2]" 1
880 1 68 ARG HG2 1 70 PRO HD3 . . 5.500 5.215 4.292 5.519 0.019 4 0 "[ . 1 . 2]" 1
881 1 68 ARG HG3 1 70 PRO HD3 . . 5.500 4.584 4.153 5.482 . 0 0 "[ . 1 . 2]" 1
882 1 69 ILE HB 1 70 PRO HD3 . . 4.050 3.790 3.573 3.892 . 0 0 "[ . 1 . 2]" 1
883 1 69 ILE HA 1 70 PRO HD3 . . 3.240 2.255 2.252 2.273 . 0 0 "[ . 1 . 2]" 1
884 1 69 ILE HA 1 70 PRO HD2 . . 3.370 2.209 2.164 2.321 . 0 0 "[ . 1 . 2]" 1
885 1 70 PRO HB2 1 71 PRO HD3 . . 4.570 3.895 3.453 4.420 . 0 0 "[ . 1 . 2]" 1
886 1 70 PRO HB3 1 71 PRO HD2 . . 4.570 2.984 2.690 3.412 . 0 0 "[ . 1 . 2]" 1
887 1 70 PRO HB3 1 71 PRO HD3 . . 4.570 4.044 3.731 4.439 . 0 0 "[ . 1 . 2]" 1
888 1 70 PRO HA 1 71 PRO HD2 . . 3.360 2.329 2.053 2.569 . 0 0 "[ . 1 . 2]" 1
889 1 70 PRO HA 1 71 PRO HD3 . . 3.360 2.300 2.262 2.386 . 0 0 "[ . 1 . 2]" 1
890 1 34 GLU QG 1 37 GLY HA3 . . 4.660 4.045 3.827 4.300 . 0 0 "[ . 1 . 2]" 1
891 1 22 LYS QG 1 51 GLY HA3 . . 4.860 4.212 3.575 4.716 . 0 0 "[ . 1 . 2]" 1
892 1 22 LYS QG 1 51 GLY HA2 . . 4.860 2.766 2.136 3.314 . 0 0 "[ . 1 . 2]" 1
893 1 22 LYS QD 1 51 GLY HA2 . . 4.600 2.374 1.989 3.040 . 0 0 "[ . 1 . 2]" 1
894 1 42 ALA HA 1 63 LYS HA . . 4.650 3.744 3.217 4.564 . 0 0 "[ . 1 . 2]" 1
895 1 41 ILE MG 1 42 ALA HA . . 4.480 3.717 3.548 3.923 . 0 0 "[ . 1 . 2]" 1
896 1 38 ASP HA 1 39 LYS HB2 . . 4.950 4.532 4.261 4.714 . 0 0 "[ . 1 . 2]" 1
897 1 38 ASP HA 1 39 LYS HG3 . . 4.860 4.183 3.795 4.796 . 0 0 "[ . 1 . 2]" 1
898 1 55 MET HA 1 56 VAL HB . . 4.800 4.738 4.607 4.830 0.030 12 0 "[ . 1 . 2]" 1
899 1 20 VAL HB 1 55 MET HA . . 4.930 4.241 3.016 4.938 0.008 14 0 "[ . 1 . 2]" 1
900 1 20 VAL MG1 1 55 MET HA . . 4.480 3.593 2.876 4.487 0.007 8 0 "[ . 1 . 2]" 1
901 1 20 VAL MG2 1 55 MET HA . . 4.480 2.947 2.666 3.279 . 0 0 "[ . 1 . 2]" 1
902 1 55 MET HA 1 69 ILE MD . . 4.100 3.665 3.346 3.926 . 0 0 "[ . 1 . 2]" 1
903 1 55 MET HA 1 56 VAL QG . . 3.780 3.549 3.398 3.698 . 0 0 "[ . 1 . 2]" 1
904 1 34 GLU HA 1 39 LYS HA . . 3.730 2.150 1.998 2.533 . 0 0 "[ . 1 . 2]" 1
905 1 22 LYS HA 1 53 ARG HA . . 3.550 2.754 2.001 3.065 . 0 0 "[ . 1 . 2]" 1
906 1 32 LEU HA 1 41 ILE HA . . 3.970 3.559 2.943 3.925 . 0 0 "[ . 1 . 2]" 1
907 1 32 LEU HA 1 32 LEU HG . . 4.180 3.382 2.745 3.729 . 0 0 "[ . 1 . 2]" 1
908 1 22 LYS HA 1 22 LYS QG . . 3.900 2.382 2.257 2.518 . 0 0 "[ . 1 . 2]" 1
909 1 22 LYS HA 1 54 VAL MG2 . . 4.120 3.676 3.366 4.108 . 0 0 "[ . 1 . 2]" 1
910 1 65 LYS HA 1 65 LYS QD . . 5.000 3.568 1.992 4.136 . 0 0 "[ . 1 . 2]" 1
911 1 65 LYS HA 1 66 VAL MG1 . . 4.960 3.697 3.313 3.999 . 0 0 "[ . 1 . 2]" 1
912 1 58 ASP H 1 66 VAL HA . . 5.090 4.963 4.638 5.124 0.034 15 0 "[ . 1 . 2]" 1
913 1 56 VAL HA 1 66 VAL HA . . 3.900 2.613 2.348 2.873 . 0 0 "[ . 1 . 2]" 1
914 1 54 VAL HB 1 66 VAL HA . . 4.150 3.681 3.361 3.989 . 0 0 "[ . 1 . 2]" 1
915 1 66 VAL HA 1 66 VAL MG1 . . 3.470 2.295 2.184 2.433 . 0 0 "[ . 1 . 2]" 1
916 1 54 VAL MG2 1 66 VAL HA . . 4.680 3.794 3.527 4.158 . 0 0 "[ . 1 . 2]" 1
917 1 24 VAL MG1 1 33 VAL HA . . 4.860 3.952 3.525 4.871 0.011 1 0 "[ . 1 . 2]" 1
918 1 23 VAL MG1 1 33 VAL HA . . 5.180 3.444 2.898 4.696 . 0 0 "[ . 1 . 2]" 1
919 1 33 VAL HA 1 34 GLU HB3 . . 4.740 4.523 4.387 4.642 . 0 0 "[ . 1 . 2]" 1
920 1 20 VAL HA 1 55 MET HA . . 3.670 2.018 1.976 2.129 . 0 0 "[ . 1 . 2]" 1
921 1 31 TYR H 1 43 TYR HA . . 4.440 3.270 2.951 3.429 . 0 0 "[ . 1 . 2]" 1
922 1 5 THR HB 1 6 ASP H . . 4.330 3.489 2.180 4.330 0.000 6 0 "[ . 1 . 2]" 1
923 1 13 THR HB 1 15 GLU H . . 4.910 4.750 4.606 4.930 0.020 1 0 "[ . 1 . 2]" 1
924 1 13 THR HB 1 14 PHE H . . 4.460 4.225 3.927 4.445 . 0 0 "[ . 1 . 2]" 1
925 1 48 LEU HA 1 49 SER HB3 . . 5.500 5.518 5.495 5.549 0.049 6 0 "[ . 1 . 2]" 1
926 1 48 LEU HA 1 49 SER HB2 . . 5.470 5.017 4.859 5.146 . 0 0 "[ . 1 . 2]" 1
927 1 49 SER HB2 1 52 ASP HA . . 5.500 4.712 4.253 5.092 . 0 0 "[ . 1 . 2]" 1
928 1 49 SER H 1 49 SER HB2 . . 3.460 2.995 2.921 3.099 . 0 0 "[ . 1 . 2]" 1
929 1 49 SER HB3 1 50 LEU HB2 . . 5.020 4.761 4.435 4.957 . 0 0 "[ . 1 . 2]" 1
930 1 49 SER HB2 1 50 LEU HB2 . . 5.500 5.282 4.857 5.442 . 0 0 "[ . 1 . 2]" 1
931 1 26 ILE MD 1 49 SER HB2 . . 5.380 4.749 4.289 5.157 . 0 0 "[ . 1 . 2]" 1
932 1 44 SER HB2 1 66 VAL MG2 . . 4.530 2.788 1.989 3.589 . 0 0 "[ . 1 . 2]" 1
933 1 44 SER HB3 1 66 VAL MG2 . . 4.530 3.320 2.406 3.918 . 0 0 "[ . 1 . 2]" 1
934 1 44 SER HB2 1 48 LEU MD1 . . 4.280 2.820 2.010 3.266 . 0 0 "[ . 1 . 2]" 1
935 1 44 SER HB3 1 48 LEU MD1 . . 4.280 2.748 1.980 4.011 . 0 0 "[ . 1 . 2]" 1
936 1 44 SER HB2 1 66 VAL H . . 5.500 4.366 3.467 5.416 . 0 0 "[ . 1 . 2]" 1
937 1 44 SER HB3 1 66 VAL H . . 5.500 5.154 4.385 5.498 . 0 0 "[ . 1 . 2]" 1
938 1 56 VAL HA 1 56 VAL QG . . 3.100 2.085 2.035 2.139 . 0 0 "[ . 1 . 2]" 1
939 1 56 VAL HA 1 66 VAL MG2 . . 5.400 5.001 4.776 5.231 . 0 0 "[ . 1 . 2]" 1
940 1 54 VAL MG2 1 56 VAL HA . . 5.500 4.750 4.479 5.211 . 0 0 "[ . 1 . 2]" 1
941 1 56 VAL HA 1 57 VAL HB . . 5.210 4.702 4.474 4.972 . 0 0 "[ . 1 . 2]" 1
942 1 56 VAL HA 1 66 VAL HB . . 4.920 4.415 3.892 4.921 0.001 15 0 "[ . 1 . 2]" 1
943 1 56 VAL HA 1 67 LYS H . . 4.340 4.121 3.823 4.359 0.019 15 0 "[ . 1 . 2]" 1
944 1 71 PRO HA 1 72 GLN HA . . 4.480 4.391 4.309 4.463 . 0 0 "[ . 1 . 2]" 1
945 1 53 ARG QD 1 71 PRO HA . . 4.680 4.133 3.489 4.688 0.008 4 0 "[ . 1 . 2]" 1
946 1 27 ALA HA 1 28 GLU HA . . 4.390 4.331 4.302 4.341 . 0 0 "[ . 1 . 2]" 1
947 1 27 ALA MB 1 28 GLU HA . . 4.770 4.524 4.329 4.600 . 0 0 "[ . 1 . 2]" 1
948 1 17 LYS HA 1 18 GLY HA2 . . 4.500 4.378 4.329 4.436 . 0 0 "[ . 1 . 2]" 1
949 1 16 LEU HA 1 17 LYS HA . . 4.920 4.903 4.805 4.953 0.033 4 0 "[ . 1 . 2]" 1
950 1 17 LYS HA 1 18 GLY HA3 . . 4.430 4.395 4.375 4.434 0.004 10 0 "[ . 1 . 2]" 1
951 1 17 LYS HA 1 56 VAL H . . 5.500 4.985 4.345 5.378 . 0 0 "[ . 1 . 2]" 1
952 1 17 LYS HA 1 56 VAL HB . . 4.020 2.497 1.982 2.820 . 0 0 "[ . 1 . 2]" 1
953 1 17 LYS HA 1 17 LYS HG2 . . 4.240 2.801 2.184 3.909 . 0 0 "[ . 1 . 2]" 1
954 1 17 LYS HA 1 17 LYS HG3 . . 4.240 3.037 2.526 3.585 . 0 0 "[ . 1 . 2]" 1
955 1 16 LEU HA 1 16 LEU MD1 . . 4.130 2.005 1.972 2.086 . 0 0 "[ . 1 . 2]" 1
956 1 16 LEU HA 1 35 VAL MG1 . . 4.750 2.400 2.078 2.670 . 0 0 "[ . 1 . 2]" 1
957 1 16 LEU HA 1 56 VAL QG . . 4.310 3.425 3.011 3.951 . 0 0 "[ . 1 . 2]" 1
958 1 16 LEU HA 1 16 LEU HG . . 4.170 3.785 3.740 3.856 . 0 0 "[ . 1 . 2]" 1
959 1 16 LEU HA 1 19 LYS QD . . 3.960 2.688 1.965 3.697 . 0 0 "[ . 1 . 2]" 1
960 1 16 LEU HA 1 19 LYS QE . . 4.330 3.626 1.865 4.333 0.003 8 0 "[ . 1 . 2]" 1
961 1 35 VAL MG1 1 36 GLU HA . . 4.600 3.886 3.673 4.088 . 0 0 "[ . 1 . 2]" 1
962 1 36 GLU HA 1 36 GLU QG . . 3.560 2.735 2.293 3.323 . 0 0 "[ . 1 . 2]" 1
963 1 13 THR HA 1 14 PHE H . . 3.530 3.395 3.261 3.499 . 0 0 "[ . 1 . 2]" 1
964 1 13 THR HA 1 15 GLU H . . 4.920 4.778 4.554 4.937 0.017 13 0 "[ . 1 . 2]" 1
965 1 13 THR HA 1 14 PHE HB2 . . 5.210 4.808 4.578 5.089 . 0 0 "[ . 1 . 2]" 1
966 1 13 THR HA 1 14 PHE HB3 . . 5.210 4.368 4.255 4.509 . 0 0 "[ . 1 . 2]" 1
967 1 13 THR HA 1 13 THR MG . . 3.300 3.196 3.171 3.207 . 0 0 "[ . 1 . 2]" 1
968 1 13 THR HA 1 16 LEU MD1 . . 5.500 5.390 5.141 5.514 0.014 14 0 "[ . 1 . 2]" 1
969 1 26 ILE HA 1 31 TYR HA . . 3.850 2.465 2.220 2.572 . 0 0 "[ . 1 . 2]" 1
970 1 26 ILE HA 1 26 ILE HG12 . . 4.100 3.148 2.710 3.573 . 0 0 "[ . 1 . 2]" 1
971 1 26 ILE HA 1 26 ILE HG13 . . 4.100 2.494 2.239 2.778 . 0 0 "[ . 1 . 2]" 1
972 1 26 ILE HA 1 26 ILE MD . . 3.900 3.566 3.086 3.893 . 0 0 "[ . 1 . 2]" 1
973 1 4 THR HA 1 4 THR MG . . 3.750 2.663 2.079 3.207 . 0 0 "[ . 1 . 2]" 1
974 1 41 ILE HA 1 42 ALA MB . . 4.820 4.162 4.069 4.210 . 0 0 "[ . 1 . 2]" 1
975 1 57 VAL HA 1 57 VAL MG2 . . 3.510 2.384 2.123 2.603 . 0 0 "[ . 1 . 2]" 1
976 1 59 VAL HA 1 64 LEU HA . . 4.690 2.315 1.927 3.141 . 0 0 "[ . 1 . 2]" 1
977 1 59 VAL HA 1 59 VAL MG1 . . 3.750 2.598 2.230 3.189 . 0 0 "[ . 1 . 2]" 1
978 1 5 THR HA 1 5 THR MG . . 3.460 2.458 2.128 3.197 . 0 0 "[ . 1 . 2]" 1
979 1 14 PHE HA 1 14 PHE HE1 . . 4.680 4.445 4.370 4.494 . 0 0 "[ . 1 . 2]" 1
980 1 14 PHE HA 1 59 VAL MG1 . . 4.740 3.595 2.964 4.435 . 0 0 "[ . 1 . 2]" 1
981 1 14 PHE HA 1 59 VAL MG2 . . 4.740 4.193 3.066 4.746 0.006 19 0 "[ . 1 . 2]" 1
982 1 54 VAL MG1 1 68 ARG HA . . 3.340 2.115 1.947 2.436 . 0 0 "[ . 1 . 2]" 1
983 1 68 ARG HA 1 69 ILE MG . . 4.590 3.834 3.694 4.013 . 0 0 "[ . 1 . 2]" 1
984 1 68 ARG HA 1 69 ILE MD . . 5.450 5.247 5.062 5.422 . 0 0 "[ . 1 . 2]" 1
985 1 54 VAL HA 1 68 ARG HA . . 3.690 3.053 2.650 3.301 . 0 0 "[ . 1 . 2]" 1
986 1 73 LEU HA 1 73 LEU MD2 . . 4.230 3.211 2.009 4.111 . 0 0 "[ . 1 . 2]" 1
987 1 72 GLN HA 1 72 GLN QG . . 3.560 2.683 2.188 3.413 . 0 0 "[ . 1 . 2]" 1
988 1 11 LYS HA 1 11 LYS QD . . 4.380 3.964 2.374 4.381 0.001 6 0 "[ . 1 . 2]" 1
989 1 47 LYS HA 1 48 LEU HG . . 4.340 3.869 3.539 4.096 . 0 0 "[ . 1 . 2]" 1
990 1 55 MET HA 1 55 MET ME . . 4.540 4.283 3.911 4.584 0.044 8 0 "[ . 1 . 2]" 1
991 1 18 GLY HA3 1 55 MET ME . . 5.060 4.796 4.115 5.072 0.012 8 0 "[ . 1 . 2]" 1
992 1 18 GLY HA2 1 55 MET ME . . 4.200 3.852 3.215 4.181 . 0 0 "[ . 1 . 2]" 1
993 1 7 ILE MG 1 8 GLY QA . . 5.340 4.001 3.467 5.121 . 0 0 "[ . 1 . 2]" 1
994 1 7 ILE MG 1 9 GLY QA . . 5.500 4.064 2.663 5.460 . 0 0 "[ . 1 . 2]" 1
995 1 18 GLY HA3 1 55 MET HG3 . . 5.500 4.978 4.648 5.445 . 0 0 "[ . 1 . 2]" 1
996 1 17 LYS QD 1 18 GLY HA2 . . 5.500 4.634 3.198 5.527 0.027 18 0 "[ . 1 . 2]" 1
997 1 17 LYS QD 1 18 GLY HA3 . . 5.500 4.471 3.120 5.506 0.006 4 0 "[ . 1 . 2]" 1
998 1 18 GLY HA3 1 56 VAL HB . . 5.310 4.806 4.490 5.138 . 0 0 "[ . 1 . 2]" 1
999 1 17 LYS QE 1 17 LYS HG2 . . 3.610 2.842 2.066 3.443 . 0 0 "[ . 1 . 2]" 1
1000 1 17 LYS QE 1 17 LYS HG3 . . 3.610 2.546 2.127 3.400 . 0 0 "[ . 1 . 2]" 1
1001 1 25 LYS QE 1 27 ALA MB . . 4.120 3.657 2.580 4.141 0.021 18 0 "[ . 1 . 2]" 1
1002 1 17 LYS QE 1 56 VAL QG . . 5.190 4.476 3.403 5.199 0.009 18 0 "[ . 1 . 2]" 1
1003 1 57 VAL MG1 1 67 LYS QE . . 4.000 3.281 2.288 4.002 0.002 8 0 "[ . 1 . 2]" 1
1004 1 24 VAL MG2 1 39 LYS HE3 . . 5.570 3.488 1.811 4.407 . 0 0 "[ . 1 . 2]" 1
1005 1 53 ARG QD 1 69 ILE MD . . 3.930 3.431 1.839 3.923 . 0 0 "[ . 1 . 2]" 1
1006 1 54 VAL MG1 1 68 ARG QD . . 4.490 3.513 2.862 4.498 0.008 1 0 "[ . 1 . 2]" 1
1007 1 68 ARG HB2 1 68 ARG QD . . 3.450 2.204 2.056 2.344 . 0 0 "[ . 1 . 2]" 1
1008 1 68 ARG HB3 1 68 ARG QD . . 3.450 3.093 2.530 3.398 . 0 0 "[ . 1 . 2]" 1
1009 1 53 ARG HB2 1 53 ARG QD . . 3.440 2.306 2.047 2.756 . 0 0 "[ . 1 . 2]" 1
1010 1 53 ARG HB3 1 53 ARG QD . . 3.440 2.683 2.055 3.452 0.012 12 0 "[ . 1 . 2]" 1
1011 1 22 LYS QG 1 53 ARG QD . . 5.420 4.800 3.578 5.423 0.003 11 0 "[ . 1 . 2]" 1
1012 1 68 ARG HA 1 68 ARG QD . . 4.400 2.947 2.351 4.098 . 0 0 "[ . 1 . 2]" 1
1013 1 48 LEU HA 1 68 ARG QD . . 5.500 4.296 3.558 4.902 . 0 0 "[ . 1 . 2]" 1
1014 1 68 ARG QD 1 69 ILE HA . . 5.500 5.189 4.903 5.507 0.007 1 0 "[ . 1 . 2]" 1
1015 1 53 ARG HA 1 53 ARG QD . . 4.030 3.690 2.415 4.164 0.134 18 0 "[ . 1 . 2]" 1
1016 1 68 ARG QD 1 69 ILE H . . 4.720 3.554 2.822 4.707 . 0 0 "[ . 1 . 2]" 1
1017 1 53 ARG QD 1 54 VAL H . . 5.430 4.711 3.440 5.270 . 0 0 "[ . 1 . 2]" 1
1018 1 53 ARG QD 1 72 GLN H . . 5.500 5.292 4.678 5.505 0.005 8 0 "[ . 1 . 2]" 1
1019 1 30 HIS HA 1 43 TYR HA . . 4.870 3.836 3.668 3.991 . 0 0 "[ . 1 . 2]" 1
1020 1 23 VAL HA 1 24 VAL HA . . 5.140 4.433 4.387 4.529 . 0 0 "[ . 1 . 2]" 1
1021 1 23 VAL HA 1 33 VAL HA . . 3.610 2.363 1.998 3.006 . 0 0 "[ . 1 . 2]" 1
1022 1 22 LYS HA 1 23 VAL HA . . 4.980 4.362 4.343 4.398 . 0 0 "[ . 1 . 2]" 1
1023 1 22 LYS QG 1 23 VAL HA . . 5.250 4.588 4.242 5.014 . 0 0 "[ . 1 . 2]" 1
1024 1 23 VAL HA 1 23 VAL MG1 . . 3.490 2.207 2.051 2.622 . 0 0 "[ . 1 . 2]" 1
1025 1 23 VAL HA 1 23 VAL MG2 . . 3.490 3.080 2.231 3.188 . 0 0 "[ . 1 . 2]" 1
1026 1 23 VAL HA 1 33 VAL MG1 . . 3.760 2.757 2.517 3.057 . 0 0 "[ . 1 . 2]" 1
1027 1 23 VAL HA 1 34 GLU H . . 4.160 3.414 3.081 3.950 . 0 0 "[ . 1 . 2]" 1
1028 1 50 LEU H 1 50 LEU HB2 . . 3.700 2.380 2.210 2.644 . 0 0 "[ . 1 . 2]" 1
1029 1 50 LEU H 1 50 LEU HB3 . . 3.760 3.563 3.512 3.652 . 0 0 "[ . 1 . 2]" 1
1030 1 25 LYS HA 1 25 LYS HG3 . . 4.040 2.741 2.256 3.488 . 0 0 "[ . 1 . 2]" 1
1031 1 25 LYS HA 1 25 LYS HG2 . . 4.040 2.755 2.161 3.731 . 0 0 "[ . 1 . 2]" 1
1032 1 34 GLU QG 1 35 VAL MG2 . . 4.620 4.561 4.271 4.640 0.020 20 0 "[ . 1 . 2]" 1
1033 1 34 GLU QG 1 39 LYS HG2 . . 4.240 3.845 3.265 4.267 0.027 1 0 "[ . 1 . 2]" 1
1034 1 34 GLU QG 1 39 LYS HG3 . . 4.930 4.155 3.256 4.758 . 0 0 "[ . 1 . 2]" 1
1035 1 34 GLU QG 1 36 GLU HA . . 5.500 5.194 4.911 5.516 0.016 1 0 "[ . 1 . 2]" 1
1036 1 34 GLU QG 1 37 GLY HA2 . . 4.660 2.631 2.431 2.850 . 0 0 "[ . 1 . 2]" 1
1037 1 34 GLU QG 1 35 VAL HA . . 4.840 3.826 3.523 4.010 . 0 0 "[ . 1 . 2]" 1
1038 1 34 GLU QG 1 39 LYS H . . 5.040 3.998 3.634 4.550 . 0 0 "[ . 1 . 2]" 1
1039 1 22 LYS H 1 34 GLU QG . . 4.750 4.158 3.756 4.516 . 0 0 "[ . 1 . 2]" 1
1040 1 46 GLU HA 1 46 GLU HG2 . . 3.970 3.160 2.528 3.708 . 0 0 "[ . 1 . 2]" 1
1041 1 46 GLU HA 1 46 GLU HG3 . . 3.970 3.107 2.182 3.886 . 0 0 "[ . 1 . 2]" 1
1042 1 46 GLU HG3 1 47 LYS H . . 4.930 4.629 4.019 4.933 0.003 3 0 "[ . 1 . 2]" 1
1043 1 46 GLU H 1 46 GLU HG2 . . 4.180 3.297 1.971 4.225 0.045 10 0 "[ . 1 . 2]" 1
1044 1 24 VAL HB 1 25 LYS HB2 . . 4.520 3.771 3.484 4.121 . 0 0 "[ . 1 . 2]" 1
1045 1 20 VAL HA 1 54 VAL MG2 . . 4.790 4.463 4.052 4.723 . 0 0 "[ . 1 . 2]" 1
1046 1 20 VAL HA 1 56 VAL QG . . 4.730 3.856 3.392 4.212 . 0 0 "[ . 1 . 2]" 1
1047 1 50 LEU H 1 50 LEU HG . . 3.970 2.917 1.990 3.928 . 0 0 "[ . 1 . 2]" 1
1048 1 31 TYR HB2 1 31 TYR HD2 . . 3.470 3.408 2.928 3.449 . 0 0 "[ . 1 . 2]" 1
1049 1 31 TYR HB3 1 31 TYR HD2 . . 3.310 2.310 2.298 2.531 . 0 0 "[ . 1 . 2]" 1
1050 1 31 TYR HB3 1 31 TYR HE2 . . 4.790 4.618 4.611 4.733 . 0 0 "[ . 1 . 2]" 1
1051 1 40 TRP HE3 1 41 ILE H . . 4.450 2.939 2.724 3.159 . 0 0 "[ . 1 . 2]" 1
1052 1 40 TRP HB2 1 40 TRP HD1 . . 3.520 2.636 2.580 2.710 . 0 0 "[ . 1 . 2]" 1
1053 1 12 TYR HD1 1 40 TRP HH2 . . 4.000 3.045 2.357 3.439 . 0 0 "[ . 1 . 2]" 1
1054 1 12 TYR HD1 1 40 TRP HZ3 . . 4.680 3.978 3.226 4.690 0.010 14 0 "[ . 1 . 2]" 1
1055 1 12 TYR HA 1 12 TYR HD1 . . 4.010 2.310 2.096 3.970 . 0 0 "[ . 1 . 2]" 1
1056 1 11 LYS HA 1 12 TYR HD1 . . 4.940 4.478 4.083 4.676 . 0 0 "[ . 1 . 2]" 1
1057 1 10 GLY QA 1 12 TYR HD1 . . 5.300 5.091 4.765 5.375 0.075 17 0 "[ . 1 . 2]" 1
1058 1 11 LYS QB 1 12 TYR HD1 . . 3.990 3.251 2.134 3.989 . 0 0 "[ . 1 . 2]" 1
1059 1 12 TYR H 1 12 TYR HD1 . . 3.470 2.990 2.228 3.467 . 0 0 "[ . 1 . 2]" 1
1060 1 12 TYR HD1 1 13 THR H . . 4.310 4.223 3.188 4.435 0.125 17 0 "[ . 1 . 2]" 1
1061 1 43 TYR H 1 43 TYR HD1 . . 3.250 2.270 1.917 2.619 . 0 0 "[ . 1 . 2]" 1
1062 1 42 ALA HA 1 43 TYR HD1 . . 3.780 2.650 2.531 2.738 . 0 0 "[ . 1 . 2]" 1
1063 1 43 TYR HA 1 43 TYR HD1 . . 3.840 3.821 3.631 3.891 0.051 6 0 "[ . 1 . 2]" 1
1064 1 43 TYR HD1 1 63 LYS QD . . 3.880 3.426 2.678 3.928 0.048 6 0 "[ . 1 . 2]" 1
1065 1 42 ALA MB 1 43 TYR HD1 . . 3.960 3.905 3.787 3.974 0.014 15 0 "[ . 1 . 2]" 1
1066 1 41 ILE MG 1 43 TYR HD1 . . 4.030 3.967 3.652 4.049 0.019 7 0 "[ . 1 . 2]" 1
1067 1 27 ALA H 1 31 TYR HD2 . . 5.190 3.987 3.530 4.931 . 0 0 "[ . 1 . 2]" 1
1068 1 31 TYR HD2 1 48 LEU H . . 4.690 3.938 3.303 4.692 0.002 10 0 "[ . 1 . 2]" 1
1069 1 31 TYR HA 1 31 TYR HD2 . . 4.630 3.737 3.667 4.423 . 0 0 "[ . 1 . 2]" 1
1070 1 26 ILE HA 1 31 TYR HD2 . . 4.280 3.362 3.018 4.279 . 0 0 "[ . 1 . 2]" 1
1071 1 26 ILE HB 1 31 TYR HD2 . . 5.500 4.599 4.342 5.524 0.024 9 0 "[ . 1 . 2]" 1
1072 1 26 ILE HG12 1 31 TYR HD2 . . 3.820 2.587 2.000 3.569 . 0 0 "[ . 1 . 2]" 1
1073 1 26 ILE HG13 1 31 TYR HD2 . . 3.820 3.204 2.163 3.823 0.003 16 0 "[ . 1 . 2]" 1
1074 1 31 TYR HD2 1 48 LEU HG . . 4.050 3.393 3.054 3.702 . 0 0 "[ . 1 . 2]" 1
1075 1 26 ILE MG 1 31 TYR HD2 . . 3.200 2.292 2.040 3.033 . 0 0 "[ . 1 . 2]" 1
1076 1 31 TYR HD2 1 48 LEU MD2 . . 4.800 4.666 4.484 4.803 0.003 5 0 "[ . 1 . 2]" 1
1077 1 31 TYR HD2 1 48 LEU MD1 . . 3.850 2.475 1.976 2.849 . 0 0 "[ . 1 . 2]" 1
1078 1 14 PHE HA 1 14 PHE HD1 . . 3.860 2.027 2.005 2.056 . 0 0 "[ . 1 . 2]" 1
1079 1 14 PHE HD1 1 15 GLU HA . . 4.470 4.181 3.894 4.398 . 0 0 "[ . 1 . 2]" 1
1080 1 14 PHE HE1 1 15 GLU HA . . 5.500 5.461 5.281 5.505 0.005 19 0 "[ . 1 . 2]" 1
1081 1 34 GLU HA 1 40 TRP HD1 . . 4.030 3.579 3.464 3.839 . 0 0 "[ . 1 . 2]" 1
1082 1 39 LYS HA 1 40 TRP HD1 . . 4.340 3.868 3.527 4.139 . 0 0 "[ . 1 . 2]" 1
1083 1 38 ASP HB3 1 40 TRP HD1 . . 4.420 4.292 3.387 4.430 0.010 14 0 "[ . 1 . 2]" 1
1084 1 35 VAL HB 1 40 TRP HD1 . . 3.350 2.130 1.998 2.347 . 0 0 "[ . 1 . 2]" 1
1085 1 33 VAL HB 1 40 TRP HD1 . . 4.870 4.241 3.977 4.589 . 0 0 "[ . 1 . 2]" 1
1086 1 35 VAL MG1 1 40 TRP HD1 . . 4.150 3.793 3.623 3.991 . 0 0 "[ . 1 . 2]" 1
1087 1 35 VAL MG2 1 40 TRP HD1 . . 3.370 2.275 1.934 2.540 . 0 0 "[ . 1 . 2]" 1
1088 1 40 TRP HH2 1 62 LEU HA . . 5.190 4.848 4.510 5.195 0.005 15 0 "[ . 1 . 2]" 1
1089 1 13 THR MG 1 40 TRP HH2 . . 4.720 3.816 3.158 4.726 0.006 14 0 "[ . 1 . 2]" 1
1090 1 16 LEU MD1 1 40 TRP HH2 . . 4.180 3.885 3.543 4.152 . 0 0 "[ . 1 . 2]" 1
1091 1 16 LEU MD2 1 40 TRP HH2 . . 4.180 2.929 2.516 3.464 . 0 0 "[ . 1 . 2]" 1
1092 1 40 TRP HZ3 1 62 LEU HA . . 4.720 2.626 2.294 3.316 . 0 0 "[ . 1 . 2]" 1
1093 1 40 TRP HZ3 1 62 LEU HB2 . . 5.500 5.159 4.380 5.509 0.009 19 0 "[ . 1 . 2]" 1
1094 1 40 TRP HZ3 1 62 LEU HB3 . . 5.500 4.979 4.131 5.503 0.003 5 0 "[ . 1 . 2]" 1
1095 1 40 TRP HZ3 1 62 LEU HG . . 5.500 4.388 2.516 5.508 0.008 14 0 "[ . 1 . 2]" 1
1096 1 16 LEU MD1 1 40 TRP HZ3 . . 5.500 5.207 4.768 5.505 0.005 14 0 "[ . 1 . 2]" 1
1097 1 40 TRP HZ3 1 64 LEU MD1 . . 5.500 4.721 3.107 5.526 0.026 14 0 "[ . 1 . 2]" 1
1098 1 40 TRP HZ3 1 64 LEU MD2 . . 5.500 4.006 3.120 5.532 0.032 18 0 "[ . 1 . 2]" 1
1099 1 16 LEU MD2 1 40 TRP HZ3 . . 5.500 3.623 3.103 4.282 . 0 0 "[ . 1 . 2]" 1
1100 1 40 TRP HB3 1 40 TRP HE3 . . 3.810 2.630 2.518 2.755 . 0 0 "[ . 1 . 2]" 1
1101 1 40 TRP HE3 1 64 LEU HG . . 4.430 4.105 3.195 4.435 0.005 10 0 "[ . 1 . 2]" 1
1102 1 30 HIS HD2 1 32 LEU HA . . 4.720 3.979 3.505 4.676 . 0 0 "[ . 1 . 2]" 1
1103 1 30 HIS HD2 1 41 ILE HA . . 4.240 3.318 2.550 4.055 . 0 0 "[ . 1 . 2]" 1
1104 1 30 HIS HD2 1 41 ILE HB . . 5.500 5.204 4.210 5.488 . 0 0 "[ . 1 . 2]" 1
1105 1 30 HIS HD2 1 41 ILE MG . . 3.170 2.735 2.055 3.113 . 0 0 "[ . 1 . 2]" 1
1106 1 27 ALA H 1 31 TYR HE2 . . 5.500 4.809 4.214 5.507 0.007 9 0 "[ . 1 . 2]" 1
1107 1 31 TYR HE2 1 44 SER H . . 4.110 4.103 4.007 4.120 0.010 14 0 "[ . 1 . 2]" 1
1108 1 31 TYR HE2 1 48 LEU HA . . 5.500 5.244 4.793 5.504 0.004 11 0 "[ . 1 . 2]" 1
1109 1 26 ILE HB 1 31 TYR HE2 . . 5.460 5.071 4.745 5.478 0.018 9 0 "[ . 1 . 2]" 1
1110 1 31 TYR HE2 1 48 LEU HG . . 3.260 2.959 2.727 3.129 . 0 0 "[ . 1 . 2]" 1
1111 1 26 ILE MG 1 31 TYR HE2 . . 2.930 2.326 1.947 2.803 . 0 0 "[ . 1 . 2]" 1
1112 1 31 TYR HE2 1 48 LEU MD2 . . 4.520 4.464 4.307 4.526 0.006 8 0 "[ . 1 . 2]" 1
1113 1 31 TYR HE2 1 48 LEU MD1 . . 4.030 3.496 2.800 3.951 . 0 0 "[ . 1 . 2]" 1
1114 1 11 LYS QE 1 12 TYR HE1 . . 4.290 3.663 2.319 4.297 0.007 2 0 "[ . 1 . 2]" 1
1115 1 11 LYS QB 1 12 TYR HE1 . . 4.530 3.551 2.187 4.540 0.010 1 0 "[ . 1 . 2]" 1
1116 1 43 TYR H 1 43 TYR HE1 . . 3.990 3.884 3.634 3.996 0.006 1 0 "[ . 1 . 2]" 1
1117 1 43 TYR HE1 1 63 LYS QE . . 3.340 3.206 2.409 3.362 0.022 13 0 "[ . 1 . 2]" 1
1118 1 43 TYR HE1 1 63 LYS QD . . 3.270 2.384 1.969 3.246 . 0 0 "[ . 1 . 2]" 1
1119 1 38 ASP HB2 1 40 TRP HZ2 . . 4.950 4.310 3.871 4.731 . 0 0 "[ . 1 . 2]" 1
1120 1 38 ASP HB3 1 40 TRP HZ2 . . 4.980 4.240 3.604 4.671 . 0 0 "[ . 1 . 2]" 1
1121 1 35 VAL HB 1 40 TRP HZ2 . . 5.230 4.697 4.479 4.928 . 0 0 "[ . 1 . 2]" 1
1122 1 11 LYS QB 1 40 TRP HZ2 . . 5.500 4.565 2.036 5.502 0.002 13 0 "[ . 1 . 2]" 1
1123 1 16 LEU MD1 1 40 TRP HZ2 . . 3.720 2.274 1.966 2.622 . 0 0 "[ . 1 . 2]" 1
1124 1 16 LEU MD2 1 40 TRP HZ2 . . 3.720 2.979 2.431 3.323 . 0 0 "[ . 1 . 2]" 1
1125 1 1 ARG H1 1 1 ARG QB . . 3.320 2.522 2.191 3.173 . 0 0 "[ . 1 . 2]" 1
1126 1 1 ARG H1 1 1 ARG QG . . 4.220 3.003 1.932 4.131 . 0 0 "[ . 1 . 2]" 1
1127 1 1 ARG QB 1 1 ARG QD . . 3.500 2.251 2.023 2.598 . 0 0 "[ . 1 . 2]" 1
1128 1 1 ARG QB 1 2 ARG H . . 4.370 3.044 1.922 4.036 . 0 0 "[ . 1 . 2]" 1
1129 1 1 ARG QB 1 3 GLU H . . 4.130 3.454 2.553 4.129 . 0 0 "[ . 1 . 2]" 1
1130 1 3 GLU QB 1 4 THR H . . 3.810 2.914 2.091 3.776 . 0 0 "[ . 1 . 2]" 1
1131 1 3 GLU QB 1 5 THR H . . 5.090 4.432 2.537 5.071 . 0 0 "[ . 1 . 2]" 1
1132 1 6 ASP H 1 6 ASP QB . . 3.250 2.543 2.234 3.150 . 0 0 "[ . 1 . 2]" 1
1133 1 7 ILE H 1 7 ILE QG . . 3.430 2.292 1.906 2.992 . 0 0 "[ . 1 . 2]" 1
1134 1 7 ILE HA 1 7 ILE QG . . 3.710 2.622 2.223 3.309 . 0 0 "[ . 1 . 2]" 1
1135 1 7 ILE QG 1 8 GLY H . . 4.400 3.773 2.061 4.360 . 0 0 "[ . 1 . 2]" 1
1136 1 11 LYS H 1 11 LYS QG . . 4.200 2.514 1.857 4.027 . 0 0 "[ . 1 . 2]" 1
1137 1 11 LYS QE 1 11 LYS QG . . 3.470 2.271 2.113 2.527 . 0 0 "[ . 1 . 2]" 1
1138 1 11 LYS QG 1 12 TYR H . . 4.550 3.960 3.439 4.563 0.013 17 0 "[ . 1 . 2]" 1
1139 1 11 LYS QG 1 12 TYR HD1 . . 4.300 3.430 2.203 4.455 0.155 17 0 "[ . 1 . 2]" 1
1140 1 11 LYS QG 1 12 TYR HE1 . . 4.510 3.362 2.027 4.531 0.021 14 0 "[ . 1 . 2]" 1
1141 1 12 TYR H 1 12 TYR QB . . 3.360 2.632 2.294 2.834 . 0 0 "[ . 1 . 2]" 1
1142 1 12 TYR QB 1 12 TYR HD1 . . 3.070 2.962 2.549 3.074 0.004 9 0 "[ . 1 . 2]" 1
1143 1 12 TYR QB 1 13 THR H . . 3.660 3.455 2.181 3.693 0.033 1 0 "[ . 1 . 2]" 1
1144 1 12 TYR QB 1 14 PHE H . . 4.400 3.872 3.545 4.328 . 0 0 "[ . 1 . 2]" 1
1145 1 12 TYR HD1 1 16 LEU QD . . 5.220 5.043 4.306 5.229 0.009 1 0 "[ . 1 . 2]" 1
1146 1 12 TYR HD1 1 62 LEU QD . . 4.660 3.759 2.448 4.664 0.004 12 0 "[ . 1 . 2]" 1
1147 1 12 TYR HE1 1 62 LEU QD . . 3.820 2.857 2.202 3.772 . 0 0 "[ . 1 . 2]" 1
1148 1 13 THR H 1 16 LEU QD . . 4.470 3.166 2.919 3.607 . 0 0 "[ . 1 . 2]" 1
1149 1 13 THR HA 1 14 PHE QB . . 4.510 4.049 3.974 4.142 . 0 0 "[ . 1 . 2]" 1
1150 1 13 THR HB 1 16 LEU QD . . 5.280 4.155 3.938 4.511 . 0 0 "[ . 1 . 2]" 1
1151 1 13 THR MG 1 16 LEU QD . . 3.460 1.946 1.761 2.390 . 0 0 "[ . 1 . 2]" 1
1152 1 14 PHE H 1 14 PHE QB . . 3.200 2.888 2.763 2.989 . 0 0 "[ . 1 . 2]" 1
1153 1 14 PHE QB 1 14 PHE HD1 . . 3.220 3.022 2.974 3.064 . 0 0 "[ . 1 . 2]" 1
1154 1 14 PHE QB 1 15 GLU H . . 3.950 3.936 3.901 3.970 0.020 8 0 "[ . 1 . 2]" 1
1155 1 14 PHE HD1 1 15 GLU QG . . 5.340 5.226 4.885 5.388 0.048 1 0 "[ . 1 . 2]" 1
1156 1 14 PHE HD1 1 16 LEU QD . . 4.710 3.350 3.114 3.571 . 0 0 "[ . 1 . 2]" 1
1157 1 14 PHE HD1 1 17 LYS QB . . 4.270 3.867 3.427 4.247 . 0 0 "[ . 1 . 2]" 1
1158 1 14 PHE HD1 1 59 VAL QG . . 4.440 2.766 2.092 3.188 . 0 0 "[ . 1 . 2]" 1
1159 1 14 PHE HE1 1 16 LEU QD . . 5.140 4.895 4.623 5.142 0.002 5 0 "[ . 1 . 2]" 1
1160 1 14 PHE HE1 1 17 LYS QB . . 4.560 3.386 2.840 3.791 . 0 0 "[ . 1 . 2]" 1
1161 1 15 GLU H 1 15 GLU QG . . 3.510 2.969 2.036 3.478 . 0 0 "[ . 1 . 2]" 1
1162 1 15 GLU H 1 16 LEU QB . . 5.330 4.281 4.196 4.336 . 0 0 "[ . 1 . 2]" 1
1163 1 15 GLU H 1 16 LEU QD . . 4.950 2.011 1.850 2.114 . 0 0 "[ . 1 . 2]" 1
1164 1 15 GLU HA 1 15 GLU QG . . 3.380 2.644 2.230 3.338 . 0 0 "[ . 1 . 2]" 1
1165 1 15 GLU QG 1 16 LEU H . . 4.700 4.019 2.346 4.643 . 0 0 "[ . 1 . 2]" 1
1166 1 16 LEU H 1 16 LEU QB . . 3.210 2.848 2.782 2.904 . 0 0 "[ . 1 . 2]" 1
1167 1 16 LEU H 1 17 LYS QB . . 4.910 4.659 4.551 4.768 . 0 0 "[ . 1 . 2]" 1
1168 1 16 LEU H 1 59 VAL QG . . 5.440 3.927 3.537 4.220 . 0 0 "[ . 1 . 2]" 1
1169 1 16 LEU HA 1 16 LEU QD . . 3.360 1.995 1.963 2.071 . 0 0 "[ . 1 . 2]" 1
1170 1 16 LEU HA 1 19 LYS QB . . 4.210 2.439 2.087 3.891 . 0 0 "[ . 1 . 2]" 1
1171 1 16 LEU HA 1 19 LYS QG . . 3.870 3.501 1.965 3.865 . 0 0 "[ . 1 . 2]" 1
1172 1 16 LEU QB 1 17 LYS H . . 4.050 2.632 2.508 2.735 . 0 0 "[ . 1 . 2]" 1
1173 1 16 LEU QB 1 56 VAL H . . 5.340 5.166 4.863 5.344 0.004 14 0 "[ . 1 . 2]" 1
1174 1 16 LEU QB 1 56 VAL QG . . 3.540 2.093 1.841 2.468 . 0 0 "[ . 1 . 2]" 1
1175 1 16 LEU QD 1 17 LYS H . . 4.160 2.796 2.533 2.968 . 0 0 "[ . 1 . 2]" 1
1176 1 16 LEU QD 1 19 LYS QE . . 5.440 3.761 2.006 4.507 . 0 0 "[ . 1 . 2]" 1
1177 1 16 LEU QD 1 35 VAL HB . . 5.120 2.897 2.414 3.244 . 0 0 "[ . 1 . 2]" 1
1178 1 16 LEU QD 1 35 VAL MG1 . . 3.470 2.074 1.895 2.453 . 0 0 "[ . 1 . 2]" 1
1179 1 16 LEU QD 1 38 ASP HB2 . . 4.600 4.144 3.452 4.609 0.009 4 0 "[ . 1 . 2]" 1
1180 1 16 LEU QD 1 38 ASP HB3 . . 5.210 4.662 4.060 5.013 . 0 0 "[ . 1 . 2]" 1
1181 1 16 LEU QD 1 40 TRP HD1 . . 4.790 4.016 3.702 4.390 . 0 0 "[ . 1 . 2]" 1
1182 1 16 LEU QD 1 40 TRP HE3 . . 5.440 4.150 3.714 4.665 . 0 0 "[ . 1 . 2]" 1
1183 1 16 LEU QD 1 40 TRP HE1 . . 4.070 2.260 1.883 2.611 . 0 0 "[ . 1 . 2]" 1
1184 1 16 LEU QD 1 40 TRP HZ3 . . 4.820 3.555 3.070 4.123 . 0 0 "[ . 1 . 2]" 1
1185 1 16 LEU QD 1 40 TRP HZ2 . . 3.240 2.189 1.941 2.482 . 0 0 "[ . 1 . 2]" 1
1186 1 17 LYS H 1 17 LYS QB . . 2.790 2.165 2.101 2.257 . 0 0 "[ . 1 . 2]" 1
1187 1 17 LYS H 1 17 LYS QG . . 4.150 3.856 3.719 4.066 . 0 0 "[ . 1 . 2]" 1
1188 1 17 LYS H 1 59 VAL QG . . 4.120 2.368 1.869 2.755 . 0 0 "[ . 1 . 2]" 1
1189 1 17 LYS HA 1 59 VAL QG . . 4.060 2.620 2.002 3.068 . 0 0 "[ . 1 . 2]" 1
1190 1 17 LYS QB 1 17 LYS QE . . 4.280 2.925 2.133 3.760 . 0 0 "[ . 1 . 2]" 1
1191 1 17 LYS QB 1 18 GLY H . . 4.090 3.827 3.651 3.953 . 0 0 "[ . 1 . 2]" 1
1192 1 17 LYS QB 1 56 VAL QG . . 4.810 3.368 2.592 3.618 . 0 0 "[ . 1 . 2]" 1
1193 1 17 LYS QB 1 59 VAL QG . . 4.140 2.096 1.737 2.602 . 0 0 "[ . 1 . 2]" 1
1194 1 17 LYS QG 1 18 GLY H . . 4.150 3.234 2.540 3.904 . 0 0 "[ . 1 . 2]" 1
1195 1 17 LYS QG 1 59 VAL H . . 4.360 3.377 2.434 4.384 0.024 20 0 "[ . 1 . 2]" 1
1196 1 17 LYS QE 1 59 VAL QG . . 5.290 3.792 2.701 4.752 . 0 0 "[ . 1 . 2]" 1
1197 1 18 GLY H 1 19 LYS QB . . 4.940 4.673 4.403 4.992 0.052 12 0 "[ . 1 . 2]" 1
1198 1 19 LYS H 1 19 LYS QB . . 3.090 2.296 2.162 2.799 . 0 0 "[ . 1 . 2]" 1
1199 1 19 LYS H 1 19 LYS QG . . 3.720 2.941 1.855 3.573 . 0 0 "[ . 1 . 2]" 1
1200 1 19 LYS HA 1 19 LYS QG . . 3.680 2.371 2.152 3.332 . 0 0 "[ . 1 . 2]" 1
1201 1 19 LYS HA 1 20 VAL QG . . 3.760 3.489 3.211 3.737 . 0 0 "[ . 1 . 2]" 1
1202 1 19 LYS QB 1 20 VAL H . . 3.190 2.537 2.231 2.954 . 0 0 "[ . 1 . 2]" 1
1203 1 19 LYS QB 1 35 VAL MG1 . . 4.360 2.591 2.332 3.220 . 0 0 "[ . 1 . 2]" 1
1204 1 19 LYS QG 1 20 VAL H . . 4.240 3.581 3.289 3.922 . 0 0 "[ . 1 . 2]" 1
1205 1 20 VAL H 1 20 VAL QG . . 3.080 2.390 1.876 2.762 . 0 0 "[ . 1 . 2]" 1
1206 1 20 VAL QG 1 21 GLY H . . 3.320 2.310 2.081 2.668 . 0 0 "[ . 1 . 2]" 1
1207 1 20 VAL QG 1 53 ARG H . . 5.440 5.378 5.213 5.464 0.024 19 0 "[ . 1 . 2]" 1
1208 1 20 VAL QG 1 53 ARG QB . . 4.120 3.172 2.473 3.631 . 0 0 "[ . 1 . 2]" 1
1209 1 20 VAL QG 1 53 ARG QG . . 3.890 2.353 1.791 3.476 . 0 0 "[ . 1 . 2]" 1
1210 1 20 VAL QG 1 53 ARG QD . . 3.690 2.973 1.894 3.697 0.007 18 0 "[ . 1 . 2]" 1
1211 1 20 VAL QG 1 54 VAL H . . 3.920 2.840 2.440 3.222 . 0 0 "[ . 1 . 2]" 1
1212 1 20 VAL QG 1 55 MET HA . . 3.740 2.748 2.557 2.895 . 0 0 "[ . 1 . 2]" 1
1213 1 20 VAL QG 1 55 MET HG3 . . 4.890 2.810 2.008 3.867 . 0 0 "[ . 1 . 2]" 1
1214 1 21 GLY QA 1 33 VAL HB . . 5.340 4.613 4.084 5.320 . 0 0 "[ . 1 . 2]" 1
1215 1 21 GLY QA 1 33 VAL MG1 . . 4.150 2.788 2.298 3.263 . 0 0 "[ . 1 . 2]" 1
1216 1 21 GLY QA 1 35 VAL MG2 . . 3.960 2.490 2.257 2.714 . 0 0 "[ . 1 . 2]" 1
1217 1 21 GLY QA 1 54 VAL H . . 5.080 4.308 4.022 4.454 . 0 0 "[ . 1 . 2]" 1
1218 1 21 GLY QA 1 54 VAL MG2 . . 4.560 3.615 3.302 3.907 . 0 0 "[ . 1 . 2]" 1
1219 1 22 LYS H 1 22 LYS QB . . 3.450 2.518 2.362 2.666 . 0 0 "[ . 1 . 2]" 1
1220 1 22 LYS HA 1 23 VAL QG . . 4.120 3.390 3.303 3.958 . 0 0 "[ . 1 . 2]" 1
1221 1 22 LYS QB 1 23 VAL H . . 4.410 3.695 3.321 3.843 . 0 0 "[ . 1 . 2]" 1
1222 1 22 LYS QB 1 34 GLU QG . . 4.700 4.395 3.950 4.680 . 0 0 "[ . 1 . 2]" 1
1223 1 22 LYS QG 1 51 GLY QA . . 4.200 2.730 2.120 3.252 . 0 0 "[ . 1 . 2]" 1
1224 1 22 LYS QD 1 23 VAL QG . . 4.950 3.829 2.931 4.319 . 0 0 "[ . 1 . 2]" 1
1225 1 22 LYS QD 1 51 GLY QA . . 3.940 2.352 1.981 3.000 . 0 0 "[ . 1 . 2]" 1
1226 1 23 VAL H 1 23 VAL QG . . 3.010 1.889 1.796 2.821 . 0 0 "[ . 1 . 2]" 1
1227 1 23 VAL H 1 51 GLY QA . . 4.890 4.278 3.852 4.646 . 0 0 "[ . 1 . 2]" 1
1228 1 23 VAL H 1 52 ASP QB . . 4.470 4.201 3.874 4.465 . 0 0 "[ . 1 . 2]" 1
1229 1 23 VAL HA 1 23 VAL QG . . 2.960 2.134 2.027 2.218 . 0 0 "[ . 1 . 2]" 1
1230 1 23 VAL HA 1 24 VAL QG . . 3.790 3.394 3.301 3.473 . 0 0 "[ . 1 . 2]" 1
1231 1 23 VAL HB 1 52 ASP QB . . 4.670 4.187 2.450 4.543 . 0 0 "[ . 1 . 2]" 1
1232 1 23 VAL QG 1 24 VAL H . . 3.780 3.564 2.842 3.730 . 0 0 "[ . 1 . 2]" 1
1233 1 23 VAL QG 1 33 VAL HA . . 4.210 3.325 2.874 3.907 . 0 0 "[ . 1 . 2]" 1
1234 1 23 VAL QG 1 33 VAL MG1 . . 3.230 2.501 2.027 3.068 . 0 0 "[ . 1 . 2]" 1
1235 1 23 VAL QG 1 34 GLU H . . 5.440 4.446 4.083 4.775 . 0 0 "[ . 1 . 2]" 1
1236 1 23 VAL QG 1 48 LEU H . . 5.150 4.983 4.488 5.155 0.005 5 0 "[ . 1 . 2]" 1
1237 1 23 VAL QG 1 48 LEU HA . . 5.440 4.414 4.065 4.660 . 0 0 "[ . 1 . 2]" 1
1238 1 23 VAL QG 1 48 LEU HG . . 4.230 4.163 3.914 4.259 0.029 8 0 "[ . 1 . 2]" 1
1239 1 23 VAL QG 1 48 LEU MD1 . . 3.360 1.936 1.827 2.268 . 0 0 "[ . 1 . 2]" 1
1240 1 23 VAL QG 1 49 SER H . . 3.940 3.184 2.623 3.465 . 0 0 "[ . 1 . 2]" 1
1241 1 23 VAL QG 1 50 LEU H . . 4.590 3.930 3.698 4.077 . 0 0 "[ . 1 . 2]" 1
1242 1 23 VAL QG 1 50 LEU HA . . 4.670 2.327 1.941 2.614 . 0 0 "[ . 1 . 2]" 1
1243 1 23 VAL QG 1 51 GLY H . . 3.390 2.003 1.854 2.996 . 0 0 "[ . 1 . 2]" 1
1244 1 23 VAL QG 1 52 ASP H . . 3.390 1.851 1.727 2.802 . 0 0 "[ . 1 . 2]" 1
1245 1 23 VAL QG 1 52 ASP HA . . 5.440 3.551 3.416 4.090 . 0 0 "[ . 1 . 2]" 1
1246 1 23 VAL QG 1 52 ASP QB . . 3.460 1.946 1.760 2.239 . 0 0 "[ . 1 . 2]" 1
1247 1 23 VAL QG 1 54 VAL H . . 4.790 4.029 3.455 4.295 . 0 0 "[ . 1 . 2]" 1
1248 1 23 VAL QG 1 54 VAL MG1 . . 3.150 2.244 1.928 2.474 . 0 0 "[ . 1 . 2]" 1
1249 1 24 VAL H 1 24 VAL QG . . 3.080 1.919 1.783 2.063 . 0 0 "[ . 1 . 2]" 1
1250 1 24 VAL H 1 50 LEU QD . . 5.110 4.688 4.221 5.110 0.000 20 0 "[ . 1 . 2]" 1
1251 1 24 VAL HA 1 50 LEU QD . . 4.090 3.625 2.932 4.092 0.002 17 0 "[ . 1 . 2]" 1
1252 1 24 VAL HB 1 39 LYS QE . . 4.880 4.094 2.683 4.882 0.002 2 0 "[ . 1 . 2]" 1
1253 1 24 VAL QG 1 25 LYS H . . 3.320 2.126 1.862 2.436 . 0 0 "[ . 1 . 2]" 1
1254 1 24 VAL QG 1 25 LYS HA . . 4.730 3.993 3.758 4.298 . 0 0 "[ . 1 . 2]" 1
1255 1 24 VAL QG 1 25 LYS HB2 . . 3.650 2.856 2.498 3.248 . 0 0 "[ . 1 . 2]" 1
1256 1 24 VAL QG 1 32 LEU H . . 4.460 4.093 3.846 4.439 . 0 0 "[ . 1 . 2]" 1
1257 1 24 VAL QG 1 32 LEU HA . . 4.770 3.797 3.613 4.105 . 0 0 "[ . 1 . 2]" 1
1258 1 24 VAL QG 1 32 LEU HB2 . . 3.860 2.699 2.088 3.552 . 0 0 "[ . 1 . 2]" 1
1259 1 24 VAL QG 1 32 LEU HB3 . . 3.810 1.967 1.841 2.123 . 0 0 "[ . 1 . 2]" 1
1260 1 24 VAL QG 1 32 LEU HG . . 4.200 3.596 2.370 4.187 . 0 0 "[ . 1 . 2]" 1
1261 1 24 VAL QG 1 33 VAL HA . . 3.810 3.105 2.606 3.340 . 0 0 "[ . 1 . 2]" 1
1262 1 24 VAL QG 1 34 GLU H . . 3.400 2.641 2.247 3.074 . 0 0 "[ . 1 . 2]" 1
1263 1 24 VAL QG 1 34 GLU HA . . 4.790 3.523 3.273 3.682 . 0 0 "[ . 1 . 2]" 1
1264 1 24 VAL QG 1 34 GLU HB2 . . 3.850 1.986 1.757 2.227 . 0 0 "[ . 1 . 2]" 1
1265 1 24 VAL QG 1 34 GLU HB3 . . 4.040 2.454 1.973 2.887 . 0 0 "[ . 1 . 2]" 1
1266 1 24 VAL QG 1 34 GLU QG . . 3.570 3.380 3.162 3.579 0.009 9 0 "[ . 1 . 2]" 1
1267 1 24 VAL QG 1 39 LYS H . . 5.440 5.007 4.579 5.443 0.003 4 0 "[ . 1 . 2]" 1
1268 1 24 VAL QG 1 39 LYS HB3 . . 4.970 3.747 3.045 4.182 . 0 0 "[ . 1 . 2]" 1
1269 1 24 VAL QG 1 39 LYS QD . . 3.640 2.710 1.671 3.641 0.001 7 0 "[ . 1 . 2]" 1
1270 1 24 VAL QG 1 39 LYS QE . . 3.260 2.698 1.718 3.306 0.046 1 0 "[ . 1 . 2]" 1
1271 1 24 VAL MG1 1 39 LYS HE2 . . 5.570 4.208 2.700 5.318 . 0 0 "[ . 1 . 2]" 1
1272 1 24 VAL MG2 1 39 LYS HE2 . . 5.570 3.277 1.982 4.439 . 0 0 "[ . 1 . 2]" 1
1273 1 24 VAL QG 1 40 TRP H . . 4.880 4.336 4.031 4.601 . 0 0 "[ . 1 . 2]" 1
1274 1 25 LYS H 1 25 LYS QG . . 5.080 4.257 3.775 4.371 . 0 0 "[ . 1 . 2]" 1
1275 1 25 LYS H 1 50 LEU QD . . 3.730 3.499 3.009 3.752 0.022 19 0 "[ . 1 . 2]" 1
1276 1 25 LYS HA 1 25 LYS QG . . 3.540 2.294 2.140 2.875 . 0 0 "[ . 1 . 2]" 1
1277 1 25 LYS HA 1 50 LEU QD . . 3.250 1.911 1.765 2.452 . 0 0 "[ . 1 . 2]" 1
1278 1 25 LYS HB2 1 32 LEU QD . . 4.400 3.438 2.051 4.403 0.003 3 0 "[ . 1 . 2]" 1
1279 1 25 LYS HB2 1 50 LEU QD . . 4.900 3.635 3.230 4.098 . 0 0 "[ . 1 . 2]" 1
1280 1 25 LYS QG 1 26 ILE H . . 3.290 2.262 1.891 3.063 . 0 0 "[ . 1 . 2]" 1
1281 1 25 LYS QG 1 32 LEU QD . . 5.040 3.767 3.186 4.537 . 0 0 "[ . 1 . 2]" 1
1282 1 25 LYS QG 1 50 LEU QD . . 4.860 2.772 2.401 3.875 . 0 0 "[ . 1 . 2]" 1
1283 1 26 ILE H 1 26 ILE QG . . 4.000 3.280 2.859 3.624 . 0 0 "[ . 1 . 2]" 1
1284 1 26 ILE H 1 50 LEU QD . . 3.990 2.819 2.236 3.350 . 0 0 "[ . 1 . 2]" 1
1285 1 26 ILE HA 1 26 ILE QG . . 3.570 2.351 2.213 2.471 . 0 0 "[ . 1 . 2]" 1
1286 1 26 ILE QG 1 27 ALA H . . 4.340 3.960 3.828 4.068 . 0 0 "[ . 1 . 2]" 1
1287 1 26 ILE QG 1 31 TYR HB3 . . 4.510 3.239 3.024 3.424 . 0 0 "[ . 1 . 2]" 1
1288 1 26 ILE QG 1 31 TYR HE2 . . 3.770 3.536 3.079 3.750 . 0 0 "[ . 1 . 2]" 1
1289 1 26 ILE MD 1 50 LEU QD . . 3.660 2.324 1.762 3.335 . 0 0 "[ . 1 . 2]" 1
1290 1 29 ASP H 1 29 ASP QB . . 3.530 2.329 2.146 2.743 . 0 0 "[ . 1 . 2]" 1
1291 1 30 HIS H 1 30 HIS QB . . 3.630 3.248 2.914 3.317 . 0 0 "[ . 1 . 2]" 1
1292 1 30 HIS QB 1 31 TYR H . . 3.150 2.564 2.138 2.806 . 0 0 "[ . 1 . 2]" 1
1293 1 30 HIS QB 1 41 ILE MG . . 3.550 2.027 1.801 2.521 . 0 0 "[ . 1 . 2]" 1
1294 1 30 HIS QB 1 42 ALA H . . 4.480 4.283 3.944 4.494 0.014 3 0 "[ . 1 . 2]" 1
1295 1 30 HIS HD2 1 41 ILE QG . . 4.090 3.319 2.597 4.103 0.013 3 0 "[ . 1 . 2]" 1
1296 1 31 TYR HE2 1 44 SER QB . . 3.860 3.732 3.530 3.875 0.015 6 0 "[ . 1 . 2]" 1
1297 1 32 LEU H 1 32 LEU QD . . 4.190 2.975 2.461 3.820 . 0 0 "[ . 1 . 2]" 1
1298 1 32 LEU HA 1 32 LEU QD . . 3.190 1.972 1.885 2.140 . 0 0 "[ . 1 . 2]" 1
1299 1 32 LEU QD 1 33 VAL H . . 3.990 3.270 2.360 3.617 . 0 0 "[ . 1 . 2]" 1
1300 1 32 LEU QD 1 39 LYS HB2 . . 4.340 3.701 3.201 4.182 . 0 0 "[ . 1 . 2]" 1
1301 1 32 LEU QD 1 39 LYS HB3 . . 4.470 2.443 1.928 2.860 . 0 0 "[ . 1 . 2]" 1
1302 1 32 LEU QD 1 39 LYS QD . . 4.980 2.559 1.883 3.577 . 0 0 "[ . 1 . 2]" 1
1303 1 32 LEU QD 1 40 TRP H . . 4.520 3.574 2.294 4.004 . 0 0 "[ . 1 . 2]" 1
1304 1 32 LEU QD 1 40 TRP HA . . 5.440 4.511 3.825 4.870 . 0 0 "[ . 1 . 2]" 1
1305 1 32 LEU QD 1 41 ILE H . . 5.340 4.847 4.376 5.179 . 0 0 "[ . 1 . 2]" 1
1306 1 32 LEU QD 1 41 ILE HA . . 3.490 3.325 3.073 3.518 0.028 9 0 "[ . 1 . 2]" 1
1307 1 32 LEU QD 1 41 ILE QG . . 3.830 3.149 2.539 3.736 . 0 0 "[ . 1 . 2]" 1
1308 1 33 VAL HB 1 64 LEU QD . . 5.010 3.475 2.989 4.042 . 0 0 "[ . 1 . 2]" 1
1309 1 34 GLU QG 1 37 GLY QA . . 4.040 2.599 2.405 2.808 . 0 0 "[ . 1 . 2]" 1
1310 1 35 VAL H 1 64 LEU QD . . 5.440 4.919 4.348 5.448 0.008 15 0 "[ . 1 . 2]" 1
1311 1 35 VAL HB 1 64 LEU QD . . 5.310 3.767 3.038 4.735 . 0 0 "[ . 1 . 2]" 1
1312 1 35 VAL MG1 1 36 GLU QB . . 4.080 2.776 2.592 3.019 . 0 0 "[ . 1 . 2]" 1
1313 1 35 VAL MG2 1 64 LEU QD . . 3.200 2.486 1.930 3.198 . 0 0 "[ . 1 . 2]" 1
1314 1 36 GLU H 1 36 GLU QB . . 3.600 3.168 2.897 3.322 . 0 0 "[ . 1 . 2]" 1
1315 1 36 GLU QB 1 40 TRP HE1 . . 4.270 3.994 3.664 4.290 0.020 1 0 "[ . 1 . 2]" 1
1316 1 40 TRP H 1 64 LEU QD . . 5.150 4.515 3.935 4.953 . 0 0 "[ . 1 . 2]" 1
1317 1 40 TRP HB2 1 64 LEU QD . . 3.870 2.554 2.031 3.048 . 0 0 "[ . 1 . 2]" 1
1318 1 40 TRP HB3 1 64 LEU QD . . 3.970 2.113 1.816 2.506 . 0 0 "[ . 1 . 2]" 1
1319 1 40 TRP HD1 1 64 LEU QD . . 4.140 3.482 2.968 4.105 . 0 0 "[ . 1 . 2]" 1
1320 1 40 TRP HE3 1 64 LEU QD . . 4.080 2.437 1.949 3.499 . 0 0 "[ . 1 . 2]" 1
1321 1 40 TRP HE1 1 64 LEU QD . . 5.410 4.061 3.522 4.806 . 0 0 "[ . 1 . 2]" 1
1322 1 40 TRP HZ3 1 62 LEU QD . . 3.960 2.877 1.743 3.781 . 0 0 "[ . 1 . 2]" 1
1323 1 40 TRP HH2 1 62 LEU QD . . 5.020 4.314 3.373 5.021 0.001 10 0 "[ . 1 . 2]" 1
1324 1 41 ILE H 1 41 ILE QG . . 3.620 3.241 2.563 3.594 . 0 0 "[ . 1 . 2]" 1
1325 1 41 ILE H 1 62 LEU QD . . 5.440 4.420 2.607 5.442 0.002 10 0 "[ . 1 . 2]" 1
1326 1 41 ILE H 1 64 LEU QD . . 5.050 3.196 2.390 3.865 . 0 0 "[ . 1 . 2]" 1
1327 1 41 ILE QG 1 41 ILE MG . . 3.270 2.117 1.975 2.375 . 0 0 "[ . 1 . 2]" 1
1328 1 41 ILE MG 1 63 LYS QB . . 4.970 3.881 2.699 4.898 . 0 0 "[ . 1 . 2]" 1
1329 1 41 ILE QG 1 42 ALA H . . 4.860 4.470 4.328 4.855 . 0 0 "[ . 1 . 2]" 1
1330 1 42 ALA HA 1 63 LYS QB . . 3.990 3.528 3.010 4.003 0.013 18 0 "[ . 1 . 2]" 1
1331 1 42 ALA HA 1 64 LEU QB . . 5.340 5.177 4.553 5.373 0.033 13 0 "[ . 1 . 2]" 1
1332 1 42 ALA HA 1 64 LEU QD . . 4.750 3.919 2.867 4.781 0.031 6 0 "[ . 1 . 2]" 1
1333 1 42 ALA MB 1 44 SER QB . . 5.170 4.522 4.115 5.071 . 0 0 "[ . 1 . 2]" 1
1334 1 42 ALA MB 1 64 LEU QD . . 4.190 2.664 1.756 3.462 . 0 0 "[ . 1 . 2]" 1
1335 1 43 TYR H 1 43 TYR QB . . 3.560 3.131 3.027 3.201 . 0 0 "[ . 1 . 2]" 1
1336 1 43 TYR H 1 63 LYS QB . . 4.810 4.668 4.116 4.825 0.015 14 0 "[ . 1 . 2]" 1
1337 1 43 TYR QB 1 43 TYR HD1 . . 2.950 2.589 2.536 2.633 . 0 0 "[ . 1 . 2]" 1
1338 1 43 TYR QB 1 44 SER H . . 3.390 3.191 2.900 3.291 . 0 0 "[ . 1 . 2]" 1
1339 1 43 TYR HD1 1 63 LYS QB . . 3.650 3.405 2.826 3.665 0.015 18 0 "[ . 1 . 2]" 1
1340 1 43 TYR HE1 1 63 LYS QB . . 3.730 2.389 1.944 3.561 . 0 0 "[ . 1 . 2]" 1
1341 1 44 SER H 1 44 SER QB . . 3.330 2.567 2.394 2.789 . 0 0 "[ . 1 . 2]" 1
1342 1 44 SER QB 1 45 ASP H . . 3.960 3.527 2.834 3.841 . 0 0 "[ . 1 . 2]" 1
1343 1 44 SER QB 1 46 GLU H . . 3.680 3.203 2.495 3.666 . 0 0 "[ . 1 . 2]" 1
1344 1 44 SER QB 1 48 LEU HG . . 4.420 2.725 2.104 3.190 . 0 0 "[ . 1 . 2]" 1
1345 1 44 SER QB 1 48 LEU MD1 . . 3.730 2.329 1.946 3.017 . 0 0 "[ . 1 . 2]" 1
1346 1 44 SER QB 1 48 LEU MD2 . . 4.070 2.807 2.387 3.320 . 0 0 "[ . 1 . 2]" 1
1347 1 44 SER QB 1 66 VAL H . . 4.680 4.025 3.417 4.686 0.006 4 0 "[ . 1 . 2]" 1
1348 1 44 SER QB 1 66 VAL MG2 . . 3.660 2.568 1.955 3.175 . 0 0 "[ . 1 . 2]" 1
1349 1 45 ASP H 1 45 ASP QB . . 3.140 2.377 2.203 2.743 . 0 0 "[ . 1 . 2]" 1
1350 1 45 ASP H 1 46 GLU QB . . 5.240 4.672 4.178 5.056 . 0 0 "[ . 1 . 2]" 1
1351 1 45 ASP H 1 46 GLU QG . . 5.070 4.440 3.722 5.087 0.017 13 0 "[ . 1 . 2]" 1
1352 1 45 ASP QB 1 46 GLU H . . 3.780 3.029 2.772 3.562 . 0 0 "[ . 1 . 2]" 1
1353 1 46 GLU H 1 46 GLU QB . . 3.350 2.467 2.202 2.900 . 0 0 "[ . 1 . 2]" 1
1354 1 46 GLU H 1 46 GLU QG . . 3.480 2.552 1.960 3.409 . 0 0 "[ . 1 . 2]" 1
1355 1 46 GLU QB 1 47 LYS H . . 3.610 3.446 3.390 3.506 . 0 0 "[ . 1 . 2]" 1
1356 1 46 GLU QG 1 47 LYS H . . 4.270 4.113 3.864 4.272 0.002 3 0 "[ . 1 . 2]" 1
1357 1 46 GLU QG 1 48 LEU MD2 . . 5.130 3.638 1.914 4.982 . 0 0 "[ . 1 . 2]" 1
1358 1 47 LYS HA 1 47 LYS QG . . 3.680 2.789 2.237 3.461 . 0 0 "[ . 1 . 2]" 1
1359 1 47 LYS QG 1 48 LEU H . . 4.710 4.323 4.082 4.585 . 0 0 "[ . 1 . 2]" 1
1360 1 48 LEU H 1 48 LEU QB . . 3.550 2.535 2.436 2.643 . 0 0 "[ . 1 . 2]" 1
1361 1 48 LEU QB 1 49 SER H . . 3.260 2.170 1.967 2.454 . 0 0 "[ . 1 . 2]" 1
1362 1 48 LEU MD2 1 52 ASP QB . . 4.590 3.740 3.150 4.569 . 0 0 "[ . 1 . 2]" 1
1363 1 48 LEU MD2 1 68 ARG QB . . 3.220 2.688 2.194 3.095 . 0 0 "[ . 1 . 2]" 1
1364 1 49 SER H 1 52 ASP QB . . 3.920 2.527 2.224 3.226 . 0 0 "[ . 1 . 2]" 1
1365 1 49 SER HA 1 50 LEU QD . . 5.440 4.030 3.003 4.759 . 0 0 "[ . 1 . 2]" 1
1366 1 50 LEU H 1 50 LEU QD . . 3.720 2.713 1.850 3.509 . 0 0 "[ . 1 . 2]" 1
1367 1 50 LEU HA 1 50 LEU QD . . 3.230 2.265 1.931 2.629 . 0 0 "[ . 1 . 2]" 1
1368 1 52 ASP H 1 52 ASP QB . . 3.080 2.258 2.156 2.472 . 0 0 "[ . 1 . 2]" 1
1369 1 52 ASP HA 1 53 ARG QB . . 4.590 4.107 3.938 4.579 . 0 0 "[ . 1 . 2]" 1
1370 1 52 ASP QB 1 53 ARG H . . 3.520 3.278 2.967 3.631 0.111 19 0 "[ . 1 . 2]" 1
1371 1 52 ASP QB 1 54 VAL MG1 . . 3.810 3.142 2.883 3.807 . 0 0 "[ . 1 . 2]" 1
1372 1 53 ARG H 1 53 ARG QB . . 3.010 2.311 2.164 2.656 . 0 0 "[ . 1 . 2]" 1
1373 1 53 ARG H 1 53 ARG QG . . 4.180 3.473 1.882 4.176 . 0 0 "[ . 1 . 2]" 1
1374 1 53 ARG H 1 69 ILE QG . . 5.340 4.569 4.196 4.900 . 0 0 "[ . 1 . 2]" 1
1375 1 53 ARG HA 1 53 ARG QG . . 3.720 2.439 2.146 3.344 . 0 0 "[ . 1 . 2]" 1
1376 1 53 ARG QB 1 53 ARG QD . . 2.930 2.121 2.002 2.435 . 0 0 "[ . 1 . 2]" 1
1377 1 53 ARG QB 1 54 VAL H . . 3.850 3.403 2.476 3.794 . 0 0 "[ . 1 . 2]" 1
1378 1 53 ARG QB 1 69 ILE QG . . 3.860 2.722 2.241 3.807 . 0 0 "[ . 1 . 2]" 1
1379 1 53 ARG QB 1 69 ILE MD . . 3.990 3.000 2.444 3.467 . 0 0 "[ . 1 . 2]" 1
1380 1 53 ARG QG 1 54 VAL H . . 3.980 3.164 2.526 4.000 0.020 18 0 "[ . 1 . 2]" 1
1381 1 53 ARG QG 1 69 ILE MD . . 3.970 2.693 1.821 3.972 0.002 9 0 "[ . 1 . 2]" 1
1382 1 53 ARG QD 1 69 ILE QG . . 4.690 3.949 2.052 4.590 . 0 0 "[ . 1 . 2]" 1
1383 1 54 VAL HA 1 69 ILE QG . . 4.020 2.124 1.980 2.528 . 0 0 "[ . 1 . 2]" 1
1384 1 56 VAL HA 1 57 VAL QG . . 3.920 3.636 3.424 3.945 0.025 6 0 "[ . 1 . 2]" 1
1385 1 56 VAL HA 1 64 LEU QB . . 4.600 3.696 3.249 3.974 . 0 0 "[ . 1 . 2]" 1
1386 1 56 VAL HA 1 64 LEU QD . . 5.440 4.137 3.531 5.108 . 0 0 "[ . 1 . 2]" 1
1387 1 56 VAL HB 1 59 VAL QG . . 4.100 3.880 3.535 4.122 0.022 18 0 "[ . 1 . 2]" 1
1388 1 56 VAL QG 1 64 LEU QD . . 2.980 2.035 1.640 2.884 . 0 0 "[ . 1 . 2]" 1
1389 1 57 VAL H 1 57 VAL QG . . 3.160 2.005 1.819 2.262 . 0 0 "[ . 1 . 2]" 1
1390 1 57 VAL H 1 65 LYS QB . . 5.340 3.352 2.574 3.586 . 0 0 "[ . 1 . 2]" 1
1391 1 57 VAL HA 1 57 VAL QG . . 2.960 2.183 1.982 2.343 . 0 0 "[ . 1 . 2]" 1
1392 1 57 VAL HB 1 65 LYS QB . . 4.390 3.538 2.007 4.414 0.024 6 0 "[ . 1 . 2]" 1
1393 1 57 VAL QG 1 58 ASP H . . 3.240 2.492 1.904 3.250 0.010 11 0 "[ . 1 . 2]" 1
1394 1 57 VAL QG 1 58 ASP HA . . 5.350 3.940 3.558 4.525 . 0 0 "[ . 1 . 2]" 1
1395 1 57 VAL QG 1 58 ASP QB . . 3.880 2.701 2.233 3.355 . 0 0 "[ . 1 . 2]" 1
1396 1 57 VAL QG 1 65 LYS H . . 4.800 3.917 2.764 4.814 0.014 13 0 "[ . 1 . 2]" 1
1397 1 57 VAL QG 1 65 LYS QB . . 3.860 1.992 1.683 2.700 . 0 0 "[ . 1 . 2]" 1
1398 1 57 VAL QG 1 66 VAL H . . 4.790 3.759 2.705 4.486 . 0 0 "[ . 1 . 2]" 1
1399 1 57 VAL QG 1 66 VAL HA . . 3.770 3.261 2.540 3.770 0.000 6 0 "[ . 1 . 2]" 1
1400 1 57 VAL QG 1 67 LYS H . . 4.960 3.607 2.631 4.425 . 0 0 "[ . 1 . 2]" 1
1401 1 57 VAL QG 1 67 LYS HA . . 5.440 4.382 3.390 5.105 . 0 0 "[ . 1 . 2]" 1
1402 1 57 VAL QG 1 67 LYS QB . . 3.770 3.098 1.783 3.780 0.010 8 0 "[ . 1 . 2]" 1
1403 1 57 VAL QG 1 67 LYS QD . . 4.970 2.669 1.741 4.144 . 0 0 "[ . 1 . 2]" 1
1404 1 57 VAL QG 1 67 LYS QE . . 3.360 2.641 1.772 3.376 0.016 15 0 "[ . 1 . 2]" 1
1405 1 58 ASP H 1 64 LEU QD . . 5.440 5.170 4.343 5.479 0.039 20 0 "[ . 1 . 2]" 1
1406 1 58 ASP H 1 65 LYS QB . . 3.620 2.741 2.252 3.131 . 0 0 "[ . 1 . 2]" 1
1407 1 58 ASP QB 1 59 VAL H . . 3.450 3.332 2.881 3.545 0.095 20 0 "[ . 1 . 2]" 1
1408 1 58 ASP QB 1 65 LYS H . . 4.170 3.720 2.534 4.215 0.045 15 0 "[ . 1 . 2]" 1
1409 1 58 ASP QB 1 65 LYS QB . . 3.350 2.944 2.178 3.378 0.028 16 0 "[ . 1 . 2]" 1
1410 1 58 ASP QB 1 65 LYS QG . . 4.820 4.086 2.799 4.803 . 0 0 "[ . 1 . 2]" 1
1411 1 58 ASP QB 1 65 LYS QD . . 4.570 3.712 2.211 4.599 0.029 20 0 "[ . 1 . 2]" 1
1412 1 59 VAL H 1 59 VAL QG . . 3.230 2.632 2.175 2.979 . 0 0 "[ . 1 . 2]" 1
1413 1 59 VAL HA 1 64 LEU QD . . 4.180 3.701 3.189 4.204 0.024 2 0 "[ . 1 . 2]" 1
1414 1 59 VAL HB 1 64 LEU QD . . 4.450 3.855 1.959 4.467 0.017 1 0 "[ . 1 . 2]" 1
1415 1 59 VAL QG 1 60 ASP H . . 3.430 2.582 1.986 3.267 . 0 0 "[ . 1 . 2]" 1
1416 1 59 VAL QG 1 61 GLY H . . 3.620 1.957 1.704 2.360 . 0 0 "[ . 1 . 2]" 1
1417 1 59 VAL QG 1 62 LEU H . . 5.160 4.527 3.896 4.971 . 0 0 "[ . 1 . 2]" 1
1418 1 59 VAL QG 1 63 LYS H . . 4.590 3.430 2.586 4.536 . 0 0 "[ . 1 . 2]" 1
1419 1 59 VAL QG 1 64 LEU QB . . 4.520 2.019 1.708 3.204 . 0 0 "[ . 1 . 2]" 1
1420 1 59 VAL QG 1 64 LEU QD . . 3.570 1.992 1.753 2.694 . 0 0 "[ . 1 . 2]" 1
1421 1 60 ASP H 1 60 ASP QB . . 3.320 2.400 2.273 2.579 . 0 0 "[ . 1 . 2]" 1
1422 1 60 ASP H 1 63 LYS QB . . 5.060 4.044 3.248 4.804 . 0 0 "[ . 1 . 2]" 1
1423 1 60 ASP H 1 64 LEU QD . . 4.880 4.426 3.648 4.898 0.018 13 0 "[ . 1 . 2]" 1
1424 1 60 ASP QB 1 63 LYS H . . 4.870 4.134 3.333 4.822 . 0 0 "[ . 1 . 2]" 1
1425 1 60 ASP QB 1 63 LYS QB . . 4.330 3.838 2.668 4.339 0.009 14 0 "[ . 1 . 2]" 1
1426 1 61 GLY HA2 1 62 LEU QB . . 5.340 4.981 4.680 5.236 . 0 0 "[ . 1 . 2]" 1
1427 1 61 GLY HA3 1 62 LEU QB . . 4.510 4.080 3.897 4.354 . 0 0 "[ . 1 . 2]" 1
1428 1 62 LEU H 1 62 LEU QB . . 3.050 2.300 2.175 2.521 . 0 0 "[ . 1 . 2]" 1
1429 1 62 LEU H 1 62 LEU QD . . 4.390 3.407 2.400 3.835 . 0 0 "[ . 1 . 2]" 1
1430 1 62 LEU H 1 63 LYS QB . . 4.680 4.347 4.071 4.695 0.015 4 0 "[ . 1 . 2]" 1
1431 1 62 LEU H 1 63 LYS QG . . 4.470 3.512 2.901 4.015 . 0 0 "[ . 1 . 2]" 1
1432 1 62 LEU HA 1 62 LEU QD . . 3.160 2.244 1.887 2.952 . 0 0 "[ . 1 . 2]" 1
1433 1 62 LEU QB 1 62 LEU QD . . 2.860 1.901 1.782 2.057 . 0 0 "[ . 1 . 2]" 1
1434 1 62 LEU QB 1 63 LYS H . . 4.280 3.475 3.193 3.765 . 0 0 "[ . 1 . 2]" 1
1435 1 62 LEU QD 1 63 LYS H . . 4.800 4.315 3.924 4.550 . 0 0 "[ . 1 . 2]" 1
1436 1 63 LYS H 1 63 LYS QB . . 3.310 2.843 2.551 3.312 0.002 8 0 "[ . 1 . 2]" 1
1437 1 63 LYS H 1 63 LYS QG . . 3.510 2.682 2.087 3.318 . 0 0 "[ . 1 . 2]" 1
1438 1 63 LYS H 1 64 LEU QD . . 5.070 3.675 2.928 4.795 . 0 0 "[ . 1 . 2]" 1
1439 1 63 LYS HA 1 64 LEU QB . . 5.340 4.661 4.469 4.842 . 0 0 "[ . 1 . 2]" 1
1440 1 63 LYS QB 1 63 LYS QE . . 4.210 2.880 1.953 3.764 . 0 0 "[ . 1 . 2]" 1
1441 1 63 LYS QB 1 64 LEU H . . 3.630 3.104 2.054 3.679 0.049 18 0 "[ . 1 . 2]" 1
1442 1 63 LYS QG 1 64 LEU H . . 4.540 4.214 3.499 4.644 0.104 15 0 "[ . 1 . 2]" 1
1443 1 64 LEU H 1 64 LEU QD . . 3.630 2.283 1.632 3.274 . 0 0 "[ . 1 . 2]" 1
1444 1 64 LEU HA 1 64 LEU QD . . 4.190 3.090 2.092 3.426 . 0 0 "[ . 1 . 2]" 1
1445 1 64 LEU QB 1 65 LYS H . . 4.170 3.347 2.345 3.814 . 0 0 "[ . 1 . 2]" 1
1446 1 64 LEU QD 1 65 LYS H . . 5.170 4.212 3.393 4.564 . 0 0 "[ . 1 . 2]" 1
1447 1 65 LYS H 1 65 LYS QB . . 3.090 2.233 2.094 2.333 . 0 0 "[ . 1 . 2]" 1
1448 1 65 LYS QB 1 66 VAL H . . 4.120 3.285 2.284 3.904 . 0 0 "[ . 1 . 2]" 1
1449 1 67 LYS H 1 67 LYS QB . . 3.650 2.571 2.349 3.055 . 0 0 "[ . 1 . 2]" 1
1450 1 67 LYS QB 1 69 ILE MG . . 4.080 3.365 2.980 3.873 . 0 0 "[ . 1 . 2]" 1
1451 1 68 ARG H 1 68 ARG QG . . 4.570 3.945 3.798 4.026 . 0 0 "[ . 1 . 2]" 1
1452 1 68 ARG HA 1 68 ARG QG . . 3.710 2.787 2.610 2.928 . 0 0 "[ . 1 . 2]" 1
1453 1 68 ARG HA 1 69 ILE QG . . 4.890 3.705 3.599 3.845 . 0 0 "[ . 1 . 2]" 1
1454 1 68 ARG QB 1 68 ARG QD . . 2.960 2.150 2.031 2.305 . 0 0 "[ . 1 . 2]" 1
1455 1 68 ARG QG 1 69 ILE H . . 3.470 2.768 2.405 3.065 . 0 0 "[ . 1 . 2]" 1
1456 1 68 ARG QG 1 70 PRO HD2 . . 5.340 5.170 5.086 5.300 . 0 0 "[ . 1 . 2]" 1
1457 1 68 ARG QG 1 70 PRO HD3 . . 4.680 4.198 4.038 4.361 . 0 0 "[ . 1 . 2]" 1
1458 1 69 ILE H 1 69 ILE QG . . 3.090 2.191 2.098 2.285 . 0 0 "[ . 1 . 2]" 1
1459 1 69 ILE QG 1 70 PRO HD2 . . 4.600 4.129 3.987 4.281 . 0 0 "[ . 1 . 2]" 1
1460 1 69 ILE QG 1 70 PRO HD3 . . 5.340 4.850 4.783 4.938 . 0 0 "[ . 1 . 2]" 1
1461 1 70 PRO QB 1 71 PRO QD . . 3.420 2.367 1.935 2.881 . 0 0 "[ . 1 . 2]" 1
1462 1 71 PRO QB 1 72 GLN H . . 3.600 2.467 1.934 3.334 . 0 0 "[ . 1 . 2]" 1
1463 1 71 PRO QB 1 73 LEU H . . 4.010 2.802 2.078 3.672 . 0 0 "[ . 1 . 2]" 1
1464 1 71 PRO QB 1 73 LEU HA . . 5.170 4.763 4.093 5.184 0.014 1 0 "[ . 1 . 2]" 1
1465 1 71 PRO QB 1 74 GLU H . . 5.340 3.917 2.821 5.312 . 0 0 "[ . 1 . 2]" 1
1466 1 71 PRO QD 1 72 GLN H . . 4.960 4.908 4.738 5.007 0.047 12 0 "[ . 1 . 2]" 1
1467 1 72 GLN H 1 72 GLN QB . . 3.040 2.529 2.160 3.076 0.036 17 0 "[ . 1 . 2]" 1
1468 1 72 GLN HA 1 73 LEU QD . . 5.000 4.603 3.268 4.998 . 0 0 "[ . 1 . 2]" 1
1469 1 72 GLN QB 1 73 LEU H . . 3.880 3.409 2.167 3.880 . 0 0 "[ . 1 . 2]" 1
1470 1 73 LEU H 1 73 LEU QD . . 4.420 2.681 1.824 3.597 . 0 0 "[ . 1 . 2]" 1
1471 1 73 LEU HA 1 73 LEU QD . . 3.700 2.853 1.950 3.422 . 0 0 "[ . 1 . 2]" 1
1472 1 73 LEU QD 1 74 GLU H . . 4.610 3.733 2.189 4.529 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 22
_Distance_constraint_stats_list.Viol_count 17
_Distance_constraint_stats_list.Viol_total 3.113
_Distance_constraint_stats_list.Viol_max 0.030
_Distance_constraint_stats_list.Viol_rms 0.0023
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0092
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 21 GLY 0.053 0.030 12 0 "[ . 1 . 2]"
1 22 LYS 0.003 0.003 10 0 "[ . 1 . 2]"
1 25 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 TYR 0.021 0.017 6 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.003 0.003 10 0 "[ . 1 . 2]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 0.021 0.017 6 0 "[ . 1 . 2]"
1 54 VAL 0.053 0.030 12 0 "[ . 1 . 2]"
1 55 MET 0.070 0.020 7 0 "[ . 1 . 2]"
1 58 ASP 0.009 0.009 14 0 "[ . 1 . 2]"
1 65 LYS 0.009 0.009 14 0 "[ . 1 . 2]"
1 67 LYS 0.070 0.020 7 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 21 GLY O 1 54 VAL N . . 3.400 3.173 2.930 3.403 0.003 12 0 "[ . 1 . 2]" 2
2 1 22 LYS O 1 34 GLU N . . 3.400 2.941 2.665 3.194 . 0 0 "[ . 1 . 2]" 2
3 1 25 LYS O 1 32 LEU N . . 3.400 2.821 2.673 3.144 . 0 0 "[ . 1 . 2]" 2
4 1 31 TYR O 1 42 ALA N . . 3.400 3.168 3.014 3.330 . 0 0 "[ . 1 . 2]" 2
5 1 33 VAL O 1 40 TRP N . . 3.400 2.700 2.520 2.931 . 0 0 "[ . 1 . 2]" 2
6 1 35 VAL N 1 38 ASP O . . 3.400 2.781 2.669 2.945 . 0 0 "[ . 1 . 2]" 2
7 1 31 TYR N 1 42 ALA O . . 3.400 2.743 2.616 2.875 . 0 0 "[ . 1 . 2]" 2
8 1 21 GLY N 1 54 VAL O . . 3.400 2.795 2.680 2.944 . 0 0 "[ . 1 . 2]" 2
9 1 55 MET O 1 67 LYS N . . 3.400 3.178 2.963 3.317 . 0 0 "[ . 1 . 2]" 2
10 1 58 ASP O 1 65 LYS N . . 3.400 2.859 2.565 3.029 . 0 0 "[ . 1 . 2]" 2
11 1 55 MET N 1 67 LYS O . . 3.400 3.301 3.140 3.377 . 0 0 "[ . 1 . 2]" 2
12 1 21 GLY O 1 54 VAL H . . 2.400 2.213 1.999 2.430 0.030 12 0 "[ . 1 . 2]" 2
13 1 22 LYS O 1 34 GLU H . . 2.400 2.015 1.794 2.403 0.003 10 0 "[ . 1 . 2]" 2
14 1 25 LYS O 1 32 LEU H . . 2.400 1.931 1.800 2.262 . 0 0 "[ . 1 . 2]" 2
15 1 31 TYR O 1 42 ALA H . . 2.400 2.290 2.135 2.417 0.017 6 0 "[ . 1 . 2]" 2
16 1 33 VAL O 1 40 TRP H . . 2.400 1.919 1.798 2.195 . 0 0 "[ . 1 . 2]" 2
17 1 35 VAL H 1 38 ASP O . . 2.400 1.852 1.797 2.016 . 0 0 "[ . 1 . 2]" 2
18 1 31 TYR H 1 42 ALA O . . 2.400 1.895 1.786 2.088 . 0 0 "[ . 1 . 2]" 2
19 1 21 GLY H 1 54 VAL O . . 2.400 1.875 1.788 2.034 . 0 0 "[ . 1 . 2]" 2
20 1 55 MET O 1 67 LYS H . . 2.400 2.260 2.042 2.399 . 0 0 "[ . 1 . 2]" 2
21 1 58 ASP O 1 65 LYS H . . 2.400 2.140 1.763 2.409 0.009 14 0 "[ . 1 . 2]" 2
22 1 55 MET H 1 67 LYS O . . 2.400 2.365 2.222 2.420 0.020 7 0 "[ . 1 . 2]" 2
stop_
save_
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