NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
418498 |
2e5k   |
10337 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2e5k
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 1550
_Distance_constraint_stats_list.Viol_count 936
_Distance_constraint_stats_list.Viol_total 1405.448
_Distance_constraint_stats_list.Viol_max 3.145
_Distance_constraint_stats_list.Viol_rms 0.0791
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0751
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 ARG 0.184 0.098 6 0 "[ . 1 . 2]"
1 10 ASP 0.035 0.022 9 0 "[ . 1 . 2]"
1 11 ILE 0.090 0.022 14 0 "[ . 1 . 2]"
1 12 ARG 0.241 0.035 9 0 "[ . 1 . 2]"
1 13 PHE 0.169 0.035 9 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 HIS 0.065 0.008 18 0 "[ . 1 . 2]"
1 17 GLU 0.160 0.122 18 0 "[ . 1 . 2]"
1 18 THR 0.072 0.018 18 0 "[ . 1 . 2]"
1 19 LEU 0.360 0.049 17 0 "[ . 1 . 2]"
1 20 GLN 0.066 0.010 14 0 "[ . 1 . 2]"
1 21 VAL 0.010 0.006 17 0 "[ . 1 . 2]"
1 22 ILE 0.128 0.012 18 0 "[ . 1 . 2]"
1 23 TYR 0.116 0.020 15 0 "[ . 1 . 2]"
1 24 PRO 0.061 0.020 15 0 "[ . 1 . 2]"
1 25 TYR 0.520 0.079 13 0 "[ . 1 . 2]"
1 26 THR 0.145 0.042 11 0 "[ . 1 . 2]"
1 27 PRO 63.020 3.145 13 20 [************+**-****]
1 28 GLN 0.590 0.052 16 0 "[ . 1 . 2]"
1 29 ASN 0.331 0.048 19 0 "[ . 1 . 2]"
1 30 ASP 62.301 3.145 13 20 [************+**-****]
1 31 ASP 0.259 0.042 4 0 "[ . 1 . 2]"
1 32 GLU 0.289 0.042 4 0 "[ . 1 . 2]"
1 33 LEU 0.138 0.016 4 0 "[ . 1 . 2]"
1 34 GLU 0.035 0.008 13 0 "[ . 1 . 2]"
1 35 LEU 0.769 0.115 16 0 "[ . 1 . 2]"
1 36 VAL 0.158 0.021 4 0 "[ . 1 . 2]"
1 37 PRO 0.146 0.021 4 0 "[ . 1 . 2]"
1 38 GLY 0.057 0.010 14 0 "[ . 1 . 2]"
1 39 ASP 0.085 0.011 1 0 "[ . 1 . 2]"
1 40 PHE 0.109 0.015 18 0 "[ . 1 . 2]"
1 41 ILE 0.023 0.006 17 0 "[ . 1 . 2]"
1 42 PHE 0.080 0.011 4 0 "[ . 1 . 2]"
1 43 MET 0.084 0.008 8 0 "[ . 1 . 2]"
1 44 SER 0.076 0.022 20 0 "[ . 1 . 2]"
1 45 PRO 0.121 0.067 20 0 "[ . 1 . 2]"
1 46 MET 0.148 0.067 20 0 "[ . 1 . 2]"
1 47 GLU 0.686 0.109 8 0 "[ . 1 . 2]"
1 48 GLN 0.321 0.036 15 0 "[ . 1 . 2]"
1 49 THR 0.252 0.127 10 0 "[ . 1 . 2]"
1 50 SER 0.144 0.017 18 0 "[ . 1 . 2]"
1 51 THR 0.134 0.025 7 0 "[ . 1 . 2]"
1 52 SER 0.190 0.026 7 0 "[ . 1 . 2]"
1 53 GLU 0.015 0.014 20 0 "[ . 1 . 2]"
1 54 GLY 0.091 0.010 4 0 "[ . 1 . 2]"
1 55 TRP 0.374 0.017 18 0 "[ . 1 . 2]"
1 56 ILE 0.256 0.022 16 0 "[ . 1 . 2]"
1 57 TYR 0.053 0.010 12 0 "[ . 1 . 2]"
1 58 GLY 0.006 0.003 9 0 "[ . 1 . 2]"
1 59 THR 0.035 0.008 18 0 "[ . 1 . 2]"
1 60 SER 0.039 0.027 17 0 "[ . 1 . 2]"
1 61 LEU 0.144 0.019 4 0 "[ . 1 . 2]"
1 62 THR 0.058 0.035 17 0 "[ . 1 . 2]"
1 63 THR 0.041 0.035 17 0 "[ . 1 . 2]"
1 64 GLY 0.030 0.008 18 0 "[ . 1 . 2]"
1 65 CYS 0.054 0.027 17 0 "[ . 1 . 2]"
1 66 SER 0.047 0.014 1 0 "[ . 1 . 2]"
1 67 GLY 0.141 0.014 17 0 "[ . 1 . 2]"
1 68 LEU 0.427 0.022 17 0 "[ . 1 . 2]"
1 69 LEU 0.381 0.036 18 0 "[ . 1 . 2]"
1 70 PRO 0.155 0.030 17 0 "[ . 1 . 2]"
1 71 GLU 0.198 0.030 17 0 "[ . 1 . 2]"
1 72 ASN 0.004 0.004 7 0 "[ . 1 . 2]"
1 73 TYR 0.507 0.036 18 0 "[ . 1 . 2]"
1 74 ILE 0.098 0.010 17 0 "[ . 1 . 2]"
1 75 THR 0.387 0.049 17 0 "[ . 1 . 2]"
1 76 LYS 0.242 0.047 3 0 "[ . 1 . 2]"
1 77 ALA 0.147 0.040 7 0 "[ . 1 . 2]"
1 78 ASP 0.112 0.040 7 0 "[ . 1 . 2]"
1 79 GLU 0.004 0.004 5 0 "[ . 1 . 2]"
1 80 CYS 0.017 0.014 20 0 "[ . 1 . 2]"
1 81 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 THR 0.014 0.007 9 0 "[ . 1 . 2]"
1 83 TRP 0.123 0.039 5 0 "[ . 1 . 2]"
1 84 ILE 0.243 0.043 9 0 "[ . 1 . 2]"
1 85 PHE 0.369 0.066 17 0 "[ . 1 . 2]"
1 86 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 27 PRO HA 1 30 ASP H . . 5.000 8.115 8.077 8.145 3.145 13 20 [************+**-****] 1
2 1 49 THR HA 1 50 SER H . . 2.500 2.168 2.141 2.224 . 0 0 "[ . 1 . 2]" 1
3 1 85 PHE H 1 85 PHE HB2 . . 4.070 2.724 2.337 4.041 . 0 0 "[ . 1 . 2]" 1
4 1 85 PHE H 1 85 PHE QD . . 4.180 2.118 1.905 2.592 . 0 0 "[ . 1 . 2]" 1
5 1 84 ILE H 1 85 PHE H . . 3.900 2.230 1.804 3.784 . 0 0 "[ . 1 . 2]" 1
6 1 84 ILE H 1 84 ILE HG13 . . 4.400 3.953 3.211 4.387 . 0 0 "[ . 1 . 2]" 1
7 1 82 THR MG 1 84 ILE H . . 4.610 3.720 2.284 4.489 . 0 0 "[ . 1 . 2]" 1
8 1 83 TRP QB 1 84 ILE H . . 3.850 3.402 3.293 3.510 . 0 0 "[ . 1 . 2]" 1
9 1 82 THR MG 1 83 TRP H . . 4.160 3.055 2.006 3.753 . 0 0 "[ . 1 . 2]" 1
10 1 83 TRP H 1 83 TRP QB . . 3.160 2.520 2.218 3.017 . 0 0 "[ . 1 . 2]" 1
11 1 82 THR HA 1 83 TRP H . . 3.230 2.345 2.153 2.640 . 0 0 "[ . 1 . 2]" 1
12 1 83 TRP H 1 83 TRP HD1 . . 3.960 2.024 1.894 2.549 . 0 0 "[ . 1 . 2]" 1
13 1 83 TRP H 1 84 ILE H . . 3.700 2.454 1.826 2.965 . 0 0 "[ . 1 . 2]" 1
14 1 82 THR H 1 82 THR MG . . 3.900 3.048 2.400 3.885 . 0 0 "[ . 1 . 2]" 1
15 1 79 GLU QB 1 80 CYS H . . 4.300 3.301 2.227 3.918 . 0 0 "[ . 1 . 2]" 1
16 1 80 CYS H 1 80 CYS QB . . 3.380 2.585 2.163 3.314 . 0 0 "[ . 1 . 2]" 1
17 1 79 GLU H 1 79 GLU QB . . 3.530 2.557 2.231 3.170 . 0 0 "[ . 1 . 2]" 1
18 1 79 GLU H 1 79 GLU QG . . 4.000 2.476 1.884 3.961 . 0 0 "[ . 1 . 2]" 1
19 1 78 ASP QB 1 79 GLU H . . 3.740 3.135 2.368 3.729 . 0 0 "[ . 1 . 2]" 1
20 1 77 ALA MB 1 78 ASP H . . 3.680 3.567 3.392 3.720 0.040 7 0 "[ . 1 . 2]" 1
21 1 78 ASP H 1 78 ASP QB . . 3.340 2.484 2.212 2.923 . 0 0 "[ . 1 . 2]" 1
22 1 19 LEU HA 1 77 ALA H . . 3.390 3.025 2.623 3.289 . 0 0 "[ . 1 . 2]" 1
23 1 19 LEU MD2 1 76 LYS H . . 4.090 3.684 3.447 3.811 . 0 0 "[ . 1 . 2]" 1
24 1 75 THR MG 1 76 LYS H . . 3.860 3.249 3.034 3.475 . 0 0 "[ . 1 . 2]" 1
25 1 76 LYS H 1 76 LYS HG3 . . 4.320 3.550 2.657 4.170 . 0 0 "[ . 1 . 2]" 1
26 1 76 LYS H 1 76 LYS HB2 . . 3.120 2.230 2.180 2.354 . 0 0 "[ . 1 . 2]" 1
27 1 75 THR HA 1 76 LYS H . . 2.890 2.372 2.289 2.446 . 0 0 "[ . 1 . 2]" 1
28 1 22 ILE MG 1 75 THR H . . 4.390 3.930 3.768 4.177 . 0 0 "[ . 1 . 2]" 1
29 1 74 ILE HB 1 75 THR H . . 3.080 2.053 1.907 2.230 . 0 0 "[ . 1 . 2]" 1
30 1 19 LEU HB2 1 75 THR H . . 3.920 3.789 3.692 3.890 . 0 0 "[ . 1 . 2]" 1
31 1 21 VAL HA 1 75 THR H . . 4.250 3.932 3.790 4.095 . 0 0 "[ . 1 . 2]" 1
32 1 74 ILE HA 1 75 THR H . . 3.090 2.554 2.466 2.635 . 0 0 "[ . 1 . 2]" 1
33 1 74 ILE H 1 75 THR H . . 4.580 4.423 4.393 4.462 . 0 0 "[ . 1 . 2]" 1
34 1 22 ILE HG12 1 74 ILE H . . 3.640 3.478 3.321 3.627 . 0 0 "[ . 1 . 2]" 1
35 1 74 ILE H 1 74 ILE HG13 . . 3.190 1.954 1.905 2.004 . 0 0 "[ . 1 . 2]" 1
36 1 74 ILE H 1 74 ILE HB . . 4.180 3.798 3.770 3.818 . 0 0 "[ . 1 . 2]" 1
37 1 73 TYR HB2 1 74 ILE H . . 4.080 3.551 3.490 3.657 . 0 0 "[ . 1 . 2]" 1
38 1 71 GLU HA 1 74 ILE H . . 4.330 3.755 3.644 3.836 . 0 0 "[ . 1 . 2]" 1
39 1 73 TYR H 1 74 ILE MG . . 3.960 3.813 3.736 3.927 . 0 0 "[ . 1 . 2]" 1
40 1 70 PRO HB2 1 73 TYR H . . 4.330 3.749 3.705 3.792 . 0 0 "[ . 1 . 2]" 1
41 1 73 TYR H 1 74 ILE HG13 . . 4.250 2.836 2.779 2.867 . 0 0 "[ . 1 . 2]" 1
42 1 73 TYR H 1 73 TYR HB2 . . 3.160 2.576 2.545 2.595 . 0 0 "[ . 1 . 2]" 1
43 1 71 GLU HA 1 73 TYR H . . 3.500 3.362 3.332 3.400 . 0 0 "[ . 1 . 2]" 1
44 1 73 TYR H 1 73 TYR QD . . 3.350 2.866 2.844 2.883 . 0 0 "[ . 1 . 2]" 1
45 1 73 TYR H 1 74 ILE H . . 3.080 1.833 1.792 1.899 . 0 0 "[ . 1 . 2]" 1
46 1 70 PRO HB3 1 72 ASN H . . 4.150 3.918 3.857 3.986 . 0 0 "[ . 1 . 2]" 1
47 1 70 PRO HB2 1 72 ASN H . . 3.920 2.490 2.361 2.617 . 0 0 "[ . 1 . 2]" 1
48 1 72 ASN H 1 72 ASN QB . . 3.080 2.295 2.227 2.373 . 0 0 "[ . 1 . 2]" 1
49 1 72 ASN H 1 73 TYR QD . . 4.000 2.965 2.866 3.060 . 0 0 "[ . 1 . 2]" 1
50 1 72 ASN H 1 73 TYR H . . 3.340 2.704 2.638 2.761 . 0 0 "[ . 1 . 2]" 1
51 1 71 GLU H 1 72 ASN H . . 3.600 2.700 2.670 2.733 . 0 0 "[ . 1 . 2]" 1
52 1 71 GLU H 1 71 GLU HB3 . . 3.350 2.279 2.229 2.331 . 0 0 "[ . 1 . 2]" 1
53 1 69 LEU H 1 69 LEU MD1 . . 4.210 4.088 4.009 4.195 . 0 0 "[ . 1 . 2]" 1
54 1 68 LEU HB3 1 69 LEU H . . 3.710 2.998 2.762 3.169 . 0 0 "[ . 1 . 2]" 1
55 1 55 TRP HE3 1 69 LEU H . . 4.020 3.070 2.882 3.220 . 0 0 "[ . 1 . 2]" 1
56 1 33 LEU HB2 1 68 LEU H . . 4.430 4.147 3.806 4.343 . 0 0 "[ . 1 . 2]" 1
57 1 68 LEU H 1 68 LEU MD2 . . 4.150 4.123 4.055 4.156 0.006 8 0 "[ . 1 . 2]" 1
58 1 32 GLU HB3 1 68 LEU H . . 4.430 4.224 4.177 4.283 . 0 0 "[ . 1 . 2]" 1
59 1 32 GLU HB2 1 68 LEU H . . 4.480 4.274 4.229 4.311 . 0 0 "[ . 1 . 2]" 1
60 1 59 THR HA 1 67 GLY H . . 3.860 3.590 3.418 3.728 . 0 0 "[ . 1 . 2]" 1
61 1 66 SER HA 1 67 GLY H . . 2.980 2.217 2.156 2.319 . 0 0 "[ . 1 . 2]" 1
62 1 33 LEU MD2 1 67 GLY H . . 3.810 2.848 2.490 3.226 . 0 0 "[ . 1 . 2]" 1
63 1 65 CYS HB2 1 66 SER H . . 3.900 3.705 2.644 3.904 0.004 1 0 "[ . 1 . 2]" 1
64 1 66 SER H 1 66 SER HB2 . . 3.970 3.599 2.867 3.904 . 0 0 "[ . 1 . 2]" 1
65 1 65 CYS HA 1 66 SER H . . 2.800 2.364 2.243 2.554 . 0 0 "[ . 1 . 2]" 1
66 1 65 CYS H 1 66 SER H . . 4.670 4.596 4.554 4.636 . 0 0 "[ . 1 . 2]" 1
67 1 63 THR MG 1 65 CYS H . . 4.250 4.164 4.084 4.239 . 0 0 "[ . 1 . 2]" 1
68 1 65 CYS H 1 65 CYS HB3 . . 3.680 3.241 2.612 3.639 . 0 0 "[ . 1 . 2]" 1
69 1 60 SER H 1 65 CYS H . . 4.010 3.632 3.320 3.993 . 0 0 "[ . 1 . 2]" 1
70 1 60 SER HB2 1 65 CYS H . . 4.030 3.745 3.327 4.033 0.003 17 0 "[ . 1 . 2]" 1
71 1 60 SER HB3 1 65 CYS H . . 4.030 2.459 2.141 2.783 . 0 0 "[ . 1 . 2]" 1
72 1 63 THR H 1 64 GLY H . . 3.110 2.416 2.139 2.602 . 0 0 "[ . 1 . 2]" 1
73 1 62 THR HB 1 63 THR H . . 3.480 2.508 2.199 2.746 . 0 0 "[ . 1 . 2]" 1
74 1 61 LEU MD2 1 62 THR H . . 4.970 4.438 4.059 4.679 . 0 0 "[ . 1 . 2]" 1
75 1 61 LEU MD1 1 62 THR H . . 5.500 4.766 4.585 4.879 . 0 0 "[ . 1 . 2]" 1
76 1 62 THR H 1 62 THR MG . . 3.820 3.729 3.693 3.769 . 0 0 "[ . 1 . 2]" 1
77 1 61 LEU HB2 1 62 THR H . . 3.950 3.738 3.565 3.849 . 0 0 "[ . 1 . 2]" 1
78 1 62 THR H 1 62 THR HB . . 3.220 2.387 2.313 2.521 . 0 0 "[ . 1 . 2]" 1
79 1 62 THR H 1 64 GLY H . . 4.450 4.018 3.450 4.448 . 0 0 "[ . 1 . 2]" 1
80 1 40 PHE H 1 62 THR H . . 4.410 4.054 3.834 4.259 . 0 0 "[ . 1 . 2]" 1
81 1 62 THR H 1 63 THR H . . 3.420 2.652 2.409 2.904 . 0 0 "[ . 1 . 2]" 1
82 1 61 LEU H 1 61 LEU HB2 . . 3.340 2.591 2.489 2.734 . 0 0 "[ . 1 . 2]" 1
83 1 61 LEU H 1 61 LEU HB3 . . 3.410 2.711 2.691 2.783 . 0 0 "[ . 1 . 2]" 1
84 1 40 PHE QB 1 61 LEU H . . 4.390 4.191 3.902 4.382 . 0 0 "[ . 1 . 2]" 1
85 1 40 PHE H 1 61 LEU H . . 4.320 3.430 3.193 3.752 . 0 0 "[ . 1 . 2]" 1
86 1 61 LEU H 1 62 THR H . . 3.660 2.168 1.925 2.355 . 0 0 "[ . 1 . 2]" 1
87 1 33 LEU MD2 1 60 SER H . . 4.060 2.457 1.980 2.891 . 0 0 "[ . 1 . 2]" 1
88 1 59 THR HB 1 60 SER H . . 4.480 4.190 3.978 4.362 . 0 0 "[ . 1 . 2]" 1
89 1 60 SER H 1 60 SER HB3 . . 3.370 2.620 2.334 2.940 . 0 0 "[ . 1 . 2]" 1
90 1 60 SER H 1 60 SER HB2 . . 3.370 2.489 2.198 2.811 . 0 0 "[ . 1 . 2]" 1
91 1 59 THR HA 1 60 SER H . . 3.040 2.161 2.142 2.211 . 0 0 "[ . 1 . 2]" 1
92 1 60 SER H 1 66 SER HA . . 3.840 3.388 3.222 3.615 . 0 0 "[ . 1 . 2]" 1
93 1 41 ILE MG 1 59 THR H . . 3.330 2.190 1.922 2.511 . 0 0 "[ . 1 . 2]" 1
94 1 42 PHE HB2 1 59 THR H . . 4.150 3.006 2.867 3.169 . 0 0 "[ . 1 . 2]" 1
95 1 42 PHE HB3 1 59 THR H . . 4.430 4.231 4.066 4.431 0.001 3 0 "[ . 1 . 2]" 1
96 1 58 GLY HA3 1 59 THR H . . 3.230 2.630 2.478 2.775 . 0 0 "[ . 1 . 2]" 1
97 1 59 THR H 1 59 THR HB . . 3.310 2.690 2.501 2.817 . 0 0 "[ . 1 . 2]" 1
98 1 41 ILE MG 1 58 GLY H . . 3.880 3.673 3.518 3.875 . 0 0 "[ . 1 . 2]" 1
99 1 58 GLY H 1 69 LEU MD2 . . 3.370 2.064 1.843 2.422 . 0 0 "[ . 1 . 2]" 1
100 1 57 TYR HA 1 58 GLY H . . 2.890 2.148 2.142 2.157 . 0 0 "[ . 1 . 2]" 1
101 1 57 TYR H 1 57 TYR HB3 . . 3.590 2.657 2.591 2.709 . 0 0 "[ . 1 . 2]" 1
102 1 57 TYR H 1 57 TYR HB2 . . 3.590 2.519 2.431 2.714 . 0 0 "[ . 1 . 2]" 1
103 1 57 TYR H 1 58 GLY H . . 4.640 4.384 4.293 4.448 . 0 0 "[ . 1 . 2]" 1
104 1 56 ILE H 1 56 ILE HG12 . . 3.760 3.054 2.909 3.131 . 0 0 "[ . 1 . 2]" 1
105 1 56 ILE H 1 56 ILE HG13 . . 3.850 2.402 2.318 2.468 . 0 0 "[ . 1 . 2]" 1
106 1 56 ILE H 1 68 LEU HB3 . . 4.530 3.811 3.642 3.949 . 0 0 "[ . 1 . 2]" 1
107 1 56 ILE H 1 69 LEU HG . . 3.830 3.600 3.537 3.692 . 0 0 "[ . 1 . 2]" 1
108 1 55 TRP HB3 1 56 ILE H . . 3.540 2.079 2.067 2.098 . 0 0 "[ . 1 . 2]" 1
109 1 56 ILE H 1 70 PRO HA . . 4.520 4.342 4.180 4.455 . 0 0 "[ . 1 . 2]" 1
110 1 56 ILE H 1 69 LEU H . . 3.680 2.261 2.124 2.387 . 0 0 "[ . 1 . 2]" 1
111 1 55 TRP HE3 1 56 ILE H . . 4.410 3.470 3.408 3.584 . 0 0 "[ . 1 . 2]" 1
112 1 55 TRP H 1 55 TRP HB2 . . 3.090 2.485 2.468 2.516 . 0 0 "[ . 1 . 2]" 1
113 1 53 GLU QB 1 55 TRP H . . 4.520 3.241 3.107 4.233 . 0 0 "[ . 1 . 2]" 1
114 1 54 GLY H 1 55 TRP H . . 3.200 1.826 1.783 1.950 . 0 0 "[ . 1 . 2]" 1
115 1 53 GLU QB 1 54 GLY H . . 3.730 2.570 2.386 3.327 . 0 0 "[ . 1 . 2]" 1
116 1 53 GLU QG 1 54 GLY H . . 4.190 3.683 1.970 4.162 . 0 0 "[ . 1 . 2]" 1
117 1 53 GLU H 1 54 GLY H . . 4.180 2.684 2.490 2.867 . 0 0 "[ . 1 . 2]" 1
118 1 53 GLU H 1 53 GLU QB . . 2.870 2.229 2.155 2.261 . 0 0 "[ . 1 . 2]" 1
119 1 53 GLU H 1 53 GLU QG . . 4.090 3.933 2.647 4.066 . 0 0 "[ . 1 . 2]" 1
120 1 52 SER QB 1 53 GLU H . . 3.610 2.813 2.500 3.432 . 0 0 "[ . 1 . 2]" 1
121 1 52 SER H 1 53 GLU H . . 3.790 2.903 2.709 3.026 . 0 0 "[ . 1 . 2]" 1
122 1 52 SER H 1 68 LEU MD2 . . 5.500 5.502 5.388 5.522 0.022 17 0 "[ . 1 . 2]" 1
123 1 51 THR MG 1 52 SER H . . 3.790 3.656 3.534 3.783 . 0 0 "[ . 1 . 2]" 1
124 1 52 SER H 1 52 SER QB . . 3.720 2.374 2.165 2.700 . 0 0 "[ . 1 . 2]" 1
125 1 51 THR H 1 51 THR MG . . 3.360 2.226 1.969 2.372 . 0 0 "[ . 1 . 2]" 1
126 1 50 SER HB2 1 51 THR H . . 4.660 4.045 4.015 4.139 . 0 0 "[ . 1 . 2]" 1
127 1 51 THR H 1 52 SER QB . . 5.040 4.211 4.012 4.491 . 0 0 "[ . 1 . 2]" 1
128 1 50 SER HA 1 51 THR H . . 3.240 2.959 2.876 2.984 . 0 0 "[ . 1 . 2]" 1
129 1 51 THR H 1 52 SER H . . 3.980 2.429 2.265 2.543 . 0 0 "[ . 1 . 2]" 1
130 1 49 THR H 1 49 THR MG . . 4.230 2.813 1.842 3.260 . 0 0 "[ . 1 . 2]" 1
131 1 47 GLU HA 1 48 GLN H . . 3.390 2.959 2.739 3.263 . 0 0 "[ . 1 . 2]" 1
132 1 47 GLU H 1 47 GLU HB3 . . 3.770 3.779 3.535 3.822 0.052 18 0 "[ . 1 . 2]" 1
133 1 46 MET H 1 46 MET HB2 . . 3.710 2.408 2.240 2.609 . 0 0 "[ . 1 . 2]" 1
134 1 46 MET H 1 46 MET HB3 . . 3.710 3.586 3.527 3.630 . 0 0 "[ . 1 . 2]" 1
135 1 46 MET H 1 46 MET HG2 . . 4.140 3.062 2.502 4.022 . 0 0 "[ . 1 . 2]" 1
136 1 45 PRO QD 1 46 MET H . . 3.920 2.678 2.603 2.920 . 0 0 "[ . 1 . 2]" 1
137 1 46 MET H 1 47 GLU H . . 3.380 2.488 2.178 2.655 . 0 0 "[ . 1 . 2]" 1
138 1 43 MET ME 1 44 SER H . . 4.410 3.294 2.955 3.815 . 0 0 "[ . 1 . 2]" 1
139 1 44 SER H 1 44 SER HB2 . . 3.900 3.398 2.892 3.806 . 0 0 "[ . 1 . 2]" 1
140 1 44 SER H 1 44 SER HB3 . . 3.900 3.176 2.502 3.850 . 0 0 "[ . 1 . 2]" 1
141 1 44 SER H 1 45 PRO QD . . 4.830 4.228 3.882 4.318 . 0 0 "[ . 1 . 2]" 1
142 1 43 MET HA 1 44 SER H . . 3.060 2.185 2.155 2.215 . 0 0 "[ . 1 . 2]" 1
143 1 16 HIS HD2 1 44 SER H . . 4.930 4.627 4.347 4.920 . 0 0 "[ . 1 . 2]" 1
144 1 19 LEU MD1 1 43 MET H . . 4.550 4.123 3.788 4.377 . 0 0 "[ . 1 . 2]" 1
145 1 41 ILE MG 1 43 MET H . . 4.710 4.185 3.903 4.676 . 0 0 "[ . 1 . 2]" 1
146 1 43 MET H 1 43 MET HB2 . . 3.850 2.508 2.490 2.535 . 0 0 "[ . 1 . 2]" 1
147 1 43 MET H 1 43 MET HB3 . . 3.850 2.851 2.832 2.862 . 0 0 "[ . 1 . 2]" 1
148 1 42 PHE HB3 1 43 MET H . . 4.160 3.577 3.277 3.749 . 0 0 "[ . 1 . 2]" 1
149 1 42 PHE QD 1 43 MET H . . 4.200 3.753 3.586 4.166 . 0 0 "[ . 1 . 2]" 1
150 1 41 ILE HB 1 42 PHE H . . 4.580 4.140 3.944 4.321 . 0 0 "[ . 1 . 2]" 1
151 1 42 PHE H 1 59 THR MG . . 4.350 4.234 3.980 4.352 0.002 9 0 "[ . 1 . 2]" 1
152 1 42 PHE H 1 42 PHE HB2 . . 3.480 2.376 2.316 2.435 . 0 0 "[ . 1 . 2]" 1
153 1 42 PHE H 1 42 PHE HB3 . . 3.680 3.611 3.580 3.655 . 0 0 "[ . 1 . 2]" 1
154 1 42 PHE H 1 42 PHE QD . . 4.210 3.305 2.719 3.485 . 0 0 "[ . 1 . 2]" 1
155 1 42 PHE H 1 59 THR H . . 3.570 2.248 1.941 2.529 . 0 0 "[ . 1 . 2]" 1
156 1 41 ILE H 1 41 ILE HG13 . . 4.590 4.282 4.134 4.396 . 0 0 "[ . 1 . 2]" 1
157 1 41 ILE H 1 41 ILE HG12 . . 3.840 2.970 2.804 3.124 . 0 0 "[ . 1 . 2]" 1
158 1 41 ILE H 1 41 ILE HB . . 3.420 2.854 2.660 2.975 . 0 0 "[ . 1 . 2]" 1
159 1 40 PHE QB 1 41 ILE H . . 3.560 2.473 2.278 2.881 . 0 0 "[ . 1 . 2]" 1
160 1 40 PHE QD 1 41 ILE H . . 4.530 2.894 2.699 3.050 . 0 0 "[ . 1 . 2]" 1
161 1 21 VAL H 1 41 ILE H . . 5.170 5.014 4.754 5.166 . 0 0 "[ . 1 . 2]" 1
162 1 40 PHE H 1 41 ILE H . . 5.450 4.509 4.485 4.539 . 0 0 "[ . 1 . 2]" 1
163 1 40 PHE H 1 61 LEU MD2 . . 3.990 3.452 3.182 3.752 . 0 0 "[ . 1 . 2]" 1
164 1 40 PHE H 1 61 LEU HB2 . . 4.030 3.214 2.940 3.527 . 0 0 "[ . 1 . 2]" 1
165 1 40 PHE H 1 61 LEU HB3 . . 3.780 2.906 2.643 3.143 . 0 0 "[ . 1 . 2]" 1
166 1 40 PHE H 1 40 PHE QB . . 3.180 2.366 2.316 2.419 . 0 0 "[ . 1 . 2]" 1
167 1 39 ASP HB2 1 40 PHE H . . 4.180 3.806 3.581 3.976 . 0 0 "[ . 1 . 2]" 1
168 1 40 PHE H 1 40 PHE QD . . 3.940 3.571 3.355 3.747 . 0 0 "[ . 1 . 2]" 1
169 1 21 VAL HB 1 39 ASP H . . 3.430 2.641 2.385 2.836 . 0 0 "[ . 1 . 2]" 1
170 1 39 ASP H 1 39 ASP HB3 . . 3.630 3.075 2.831 3.605 . 0 0 "[ . 1 . 2]" 1
171 1 39 ASP H 1 39 ASP HB2 . . 3.280 2.580 2.368 2.727 . 0 0 "[ . 1 . 2]" 1
172 1 37 PRO HB2 1 38 GLY H . . 4.020 3.914 3.776 3.994 . 0 0 "[ . 1 . 2]" 1
173 1 21 VAL HB 1 38 GLY H . . 3.310 2.485 2.069 2.834 . 0 0 "[ . 1 . 2]" 1
174 1 20 GLN HG2 1 38 GLY H . . 4.730 3.966 3.699 4.341 . 0 0 "[ . 1 . 2]" 1
175 1 38 GLY H 1 39 ASP H . . 3.510 2.020 1.932 2.160 . 0 0 "[ . 1 . 2]" 1
176 1 35 LEU HB3 1 36 VAL H . . 4.190 3.192 2.930 3.412 . 0 0 "[ . 1 . 2]" 1
177 1 36 VAL H 1 36 VAL HB . . 3.200 2.656 2.555 2.750 . 0 0 "[ . 1 . 2]" 1
178 1 35 LEU HB2 1 36 VAL H . . 4.580 4.164 4.011 4.323 . 0 0 "[ . 1 . 2]" 1
179 1 36 VAL H 1 39 ASP HB3 . . 4.860 4.031 3.611 4.852 . 0 0 "[ . 1 . 2]" 1
180 1 35 LEU HA 1 36 VAL H . . 2.960 2.167 2.140 2.220 . 0 0 "[ . 1 . 2]" 1
181 1 35 LEU H 1 36 VAL H . . 4.520 4.406 4.307 4.486 . 0 0 "[ . 1 . 2]" 1
182 1 35 LEU H 1 35 LEU HB3 . . 4.120 3.709 3.623 3.758 . 0 0 "[ . 1 . 2]" 1
183 1 35 LEU H 1 35 LEU HB2 . . 3.800 2.537 2.418 2.611 . 0 0 "[ . 1 . 2]" 1
184 1 25 TYR H 1 35 LEU H . . 3.770 2.830 2.552 2.995 . 0 0 "[ . 1 . 2]" 1
185 1 33 LEU HB3 1 34 GLU H . . 4.160 4.062 3.911 4.152 . 0 0 "[ . 1 . 2]" 1
186 1 34 GLU H 1 34 GLU HB2 . . 3.230 2.437 2.326 2.591 . 0 0 "[ . 1 . 2]" 1
187 1 34 GLU H 1 34 GLU HB3 . . 3.230 2.629 2.506 2.742 . 0 0 "[ . 1 . 2]" 1
188 1 27 PRO HD3 1 34 GLU H . . 4.530 4.320 4.144 4.453 . 0 0 "[ . 1 . 2]" 1
189 1 33 LEU H 1 69 LEU MD2 . . 3.860 3.343 2.917 3.594 . 0 0 "[ . 1 . 2]" 1
190 1 33 LEU H 1 33 LEU HB3 . . 3.260 2.572 2.501 2.643 . 0 0 "[ . 1 . 2]" 1
191 1 33 LEU H 1 69 LEU HB3 . . 4.070 3.348 3.189 3.483 . 0 0 "[ . 1 . 2]" 1
192 1 32 GLU HG2 1 33 LEU H . . 3.750 3.677 3.502 3.766 0.016 4 0 "[ . 1 . 2]" 1
193 1 32 GLU HG3 1 33 LEU H . . 4.190 4.032 3.835 4.190 0.000 20 0 "[ . 1 . 2]" 1
194 1 33 LEU H 1 67 GLY HA3 . . 4.440 3.716 3.555 3.956 . 0 0 "[ . 1 . 2]" 1
195 1 32 GLU HA 1 33 LEU H . . 3.060 2.528 2.422 2.585 . 0 0 "[ . 1 . 2]" 1
196 1 32 GLU H 1 33 LEU H . . 4.550 4.495 4.462 4.533 . 0 0 "[ . 1 . 2]" 1
197 1 33 LEU H 1 34 GLU H . . 4.670 4.422 4.390 4.474 . 0 0 "[ . 1 . 2]" 1
198 1 32 GLU H 1 68 LEU MD1 . . 5.500 5.171 4.714 5.378 . 0 0 "[ . 1 . 2]" 1
199 1 32 GLU H 1 32 GLU HG2 . . 3.190 2.490 2.330 2.629 . 0 0 "[ . 1 . 2]" 1
200 1 32 GLU H 1 32 GLU HG3 . . 4.440 3.713 3.589 3.793 . 0 0 "[ . 1 . 2]" 1
201 1 32 GLU H 1 33 LEU HA . . 5.290 5.058 4.996 5.118 . 0 0 "[ . 1 . 2]" 1
202 1 31 ASP HB3 1 32 GLU H . . 4.220 3.635 2.537 4.141 . 0 0 "[ . 1 . 2]" 1
203 1 31 ASP HB2 1 32 GLU H . . 4.220 2.992 2.556 4.030 . 0 0 "[ . 1 . 2]" 1
204 1 31 ASP H 1 32 GLU H . . 3.080 2.969 2.723 3.042 . 0 0 "[ . 1 . 2]" 1
205 1 32 GLU H 1 68 LEU H . . 4.290 4.150 4.031 4.225 . 0 0 "[ . 1 . 2]" 1
206 1 30 ASP H 1 31 ASP H . . 4.130 2.594 2.412 2.713 . 0 0 "[ . 1 . 2]" 1
207 1 29 ASN HB2 1 30 ASP H . . 3.950 3.101 2.006 3.540 . 0 0 "[ . 1 . 2]" 1
208 1 28 GLN H 1 29 ASN H . . 2.960 1.831 1.789 1.929 . 0 0 "[ . 1 . 2]" 1
209 1 25 TYR QE 1 28 GLN H . . 4.530 4.457 4.250 4.542 0.012 16 0 "[ . 1 . 2]" 1
210 1 25 TYR H 1 35 LEU HB3 . . 3.820 3.710 3.545 3.826 0.006 7 0 "[ . 1 . 2]" 1
211 1 24 PRO QB 1 25 TYR H . . 3.330 2.798 2.430 2.967 . 0 0 "[ . 1 . 2]" 1
212 1 25 TYR H 1 25 TYR HB3 . . 3.750 2.784 2.640 3.007 . 0 0 "[ . 1 . 2]" 1
213 1 25 TYR H 1 25 TYR HB2 . . 3.920 3.517 3.370 3.758 . 0 0 "[ . 1 . 2]" 1
214 1 25 TYR H 1 25 TYR QD . . 4.420 4.230 4.117 4.390 . 0 0 "[ . 1 . 2]" 1
215 1 25 TYR H 1 73 TYR QE . . 5.000 4.746 4.538 4.893 . 0 0 "[ . 1 . 2]" 1
216 1 22 ILE HB 1 23 TYR H . . 3.970 3.792 3.562 3.916 . 0 0 "[ . 1 . 2]" 1
217 1 21 VAL HB 1 23 TYR H . . 5.150 4.541 4.351 4.855 . 0 0 "[ . 1 . 2]" 1
218 1 23 TYR H 1 37 PRO HB3 . . 5.500 4.754 4.529 5.018 . 0 0 "[ . 1 . 2]" 1
219 1 23 TYR H 1 73 TYR HB3 . . 3.860 3.571 3.478 3.695 . 0 0 "[ . 1 . 2]" 1
220 1 21 VAL HA 1 23 TYR H . . 3.830 3.643 3.560 3.766 . 0 0 "[ . 1 . 2]" 1
221 1 23 TYR H 1 74 ILE HA . . 4.460 4.278 4.161 4.380 . 0 0 "[ . 1 . 2]" 1
222 1 23 TYR H 1 23 TYR QD . . 3.870 3.378 3.148 3.507 . 0 0 "[ . 1 . 2]" 1
223 1 22 ILE H 1 23 TYR H . . 3.030 2.003 1.847 2.127 . 0 0 "[ . 1 . 2]" 1
224 1 22 ILE H 1 74 ILE HA . . 3.550 2.485 2.293 2.684 . 0 0 "[ . 1 . 2]" 1
225 1 21 VAL H 1 40 PHE HA . . 4.120 3.443 3.226 3.678 . 0 0 "[ . 1 . 2]" 1
226 1 21 VAL H 1 74 ILE HB . . 5.400 4.984 4.703 5.203 . 0 0 "[ . 1 . 2]" 1
227 1 20 GLN HG2 1 21 VAL H . . 3.580 2.705 2.456 3.183 . 0 0 "[ . 1 . 2]" 1
228 1 19 LEU MD1 1 20 GLN H . . 4.850 4.803 4.731 4.834 . 0 0 "[ . 1 . 2]" 1
229 1 19 LEU HB2 1 20 GLN H . . 3.800 3.622 3.514 3.673 . 0 0 "[ . 1 . 2]" 1
230 1 19 LEU HB3 1 20 GLN H . . 3.560 2.789 2.703 2.824 . 0 0 "[ . 1 . 2]" 1
231 1 20 GLN H 1 20 GLN HB2 . . 3.830 2.789 2.639 2.949 . 0 0 "[ . 1 . 2]" 1
232 1 20 GLN H 1 20 GLN HB3 . . 3.420 2.686 2.546 2.833 . 0 0 "[ . 1 . 2]" 1
233 1 20 GLN H 1 76 LYS HA . . 4.250 4.178 3.954 4.258 0.008 18 0 "[ . 1 . 2]" 1
234 1 20 GLN H 1 21 VAL H . . 4.620 4.437 4.386 4.477 . 0 0 "[ . 1 . 2]" 1
235 1 20 GLN H 1 75 THR H . . 3.480 2.636 2.513 2.749 . 0 0 "[ . 1 . 2]" 1
236 1 19 LEU H 1 41 ILE MG . . 4.820 4.437 4.288 4.600 . 0 0 "[ . 1 . 2]" 1
237 1 19 LEU H 1 19 LEU MD1 . . 3.990 3.940 3.788 4.001 0.011 10 0 "[ . 1 . 2]" 1
238 1 19 LEU H 1 19 LEU HB2 . . 3.930 2.870 2.801 2.936 . 0 0 "[ . 1 . 2]" 1
239 1 19 LEU H 1 19 LEU HG . . 3.320 2.691 2.573 2.771 . 0 0 "[ . 1 . 2]" 1
240 1 19 LEU H 1 40 PHE QB . . 4.850 3.919 3.737 4.189 . 0 0 "[ . 1 . 2]" 1
241 1 19 LEU H 1 42 PHE HA . . 4.500 3.954 3.644 4.191 . 0 0 "[ . 1 . 2]" 1
242 1 19 LEU H 1 41 ILE H . . 3.820 2.442 2.328 2.592 . 0 0 "[ . 1 . 2]" 1
243 1 18 THR H 1 19 LEU H . . 4.740 4.346 4.267 4.468 . 0 0 "[ . 1 . 2]" 1
244 1 18 THR H 1 18 THR MG . . 4.040 3.931 3.862 3.969 . 0 0 "[ . 1 . 2]" 1
245 1 17 GLU HB3 1 18 THR H . . 3.910 2.814 2.161 3.928 0.018 18 0 "[ . 1 . 2]" 1
246 1 17 GLU HB2 1 18 THR H . . 3.910 3.577 2.537 3.917 0.007 14 0 "[ . 1 . 2]" 1
247 1 17 GLU H 1 17 GLU HB3 . . 3.950 3.354 2.273 3.585 . 0 0 "[ . 1 . 2]" 1
248 1 17 GLU H 1 17 GLU HB2 . . 3.950 2.597 2.201 3.788 . 0 0 "[ . 1 . 2]" 1
249 1 17 GLU H 1 18 THR H . . 4.750 4.562 4.451 4.615 . 0 0 "[ . 1 . 2]" 1
250 1 16 HIS H 1 17 GLU H . . 4.740 4.534 4.191 4.609 . 0 0 "[ . 1 . 2]" 1
251 1 14 ALA MB 1 15 ASN H . . 4.370 2.322 1.934 3.692 . 0 0 "[ . 1 . 2]" 1
252 1 14 ALA H 1 14 ALA MB . . 3.050 2.338 2.060 2.891 . 0 0 "[ . 1 . 2]" 1
253 1 11 ILE HA 1 14 ALA H . . 4.690 4.146 3.642 4.615 . 0 0 "[ . 1 . 2]" 1
254 1 14 ALA H 1 15 ASN H . . 4.880 4.103 2.169 4.603 . 0 0 "[ . 1 . 2]" 1
255 1 11 ILE MG 1 14 ALA H . . 4.790 2.295 1.849 2.688 . 0 0 "[ . 1 . 2]" 1
256 1 11 ILE MG 1 13 PHE H . . 4.580 2.648 1.860 4.118 . 0 0 "[ . 1 . 2]" 1
257 1 12 ARG HB2 1 13 PHE H . . 4.470 3.889 2.473 4.505 0.035 9 0 "[ . 1 . 2]" 1
258 1 13 PHE H 1 14 ALA MB . . 5.490 4.177 3.616 4.483 . 0 0 "[ . 1 . 2]" 1
259 1 13 PHE H 1 13 PHE HB2 . . 4.040 3.182 2.204 3.798 . 0 0 "[ . 1 . 2]" 1
260 1 13 PHE H 1 13 PHE HB3 . . 4.040 3.813 3.506 4.045 0.005 11 0 "[ . 1 . 2]" 1
261 1 13 PHE H 1 13 PHE QD . . 4.030 3.032 1.906 3.605 . 0 0 "[ . 1 . 2]" 1
262 1 11 ILE MG 1 12 ARG H . . 3.630 2.867 2.375 3.462 . 0 0 "[ . 1 . 2]" 1
263 1 12 ARG H 1 13 PHE H . . 3.400 2.643 1.863 3.288 . 0 0 "[ . 1 . 2]" 1
264 1 11 ILE H 1 11 ILE HG12 . . 4.060 3.577 2.294 4.060 0.000 5 0 "[ . 1 . 2]" 1
265 1 11 ILE H 1 11 ILE HB . . 3.240 2.527 2.415 2.639 . 0 0 "[ . 1 . 2]" 1
266 1 50 SER HB3 1 55 TRP HE1 . . 5.500 5.501 5.444 5.517 0.017 18 0 "[ . 1 . 2]" 1
267 1 54 GLY HA3 1 55 TRP HE1 . . 5.500 5.234 5.116 5.355 . 0 0 "[ . 1 . 2]" 1
268 1 55 TRP H 1 55 TRP HE1 . . 5.080 4.554 4.447 4.637 . 0 0 "[ . 1 . 2]" 1
269 1 83 TRP HE1 1 84 ILE HG13 . . 5.500 4.402 3.976 4.993 . 0 0 "[ . 1 . 2]" 1
270 1 82 THR MG 1 83 TRP HE1 . . 5.500 4.694 3.065 5.496 . 0 0 "[ . 1 . 2]" 1
271 1 83 TRP HE1 1 84 ILE HG12 . . 5.500 4.883 4.213 5.508 0.008 11 0 "[ . 1 . 2]" 1
272 1 83 TRP QB 1 83 TRP HE1 . . 4.840 4.508 4.494 4.524 . 0 0 "[ . 1 . 2]" 1
273 1 83 TRP HD1 1 84 ILE H . . 4.430 2.342 2.142 2.548 . 0 0 "[ . 1 . 2]" 1
274 1 82 THR HB 1 84 ILE H . . 5.100 2.954 2.698 3.630 . 0 0 "[ . 1 . 2]" 1
275 1 80 CYS QB 1 81 SER H . . 4.970 2.923 2.063 3.958 . 0 0 "[ . 1 . 2]" 1
276 1 81 SER H 1 82 THR H . . 5.010 4.100 2.503 4.599 . 0 0 "[ . 1 . 2]" 1
277 1 79 GLU QG 1 80 CYS H . . 4.670 4.001 1.941 4.674 0.004 5 0 "[ . 1 . 2]" 1
278 1 79 GLU H 1 80 CYS H . . 4.510 3.311 2.208 4.300 . 0 0 "[ . 1 . 2]" 1
279 1 78 ASP HA 1 80 CYS H . . 5.180 4.512 3.592 5.194 0.014 20 0 "[ . 1 . 2]" 1
280 1 76 LYS HB2 1 78 ASP H . . 5.500 5.066 3.672 5.429 . 0 0 "[ . 1 . 2]" 1
281 1 76 LYS HB3 1 78 ASP H . . 5.180 4.626 3.092 5.135 . 0 0 "[ . 1 . 2]" 1
282 1 18 THR MG 1 77 ALA H . . 4.840 4.731 4.482 4.841 0.001 18 0 "[ . 1 . 2]" 1
283 1 20 GLN H 1 77 ALA H . . 4.880 4.521 4.230 4.761 . 0 0 "[ . 1 . 2]" 1
284 1 76 LYS H 1 77 ALA H . . 4.780 4.627 4.602 4.647 . 0 0 "[ . 1 . 2]" 1
285 1 19 LEU HA 1 75 THR H . . 4.470 4.051 3.964 4.247 . 0 0 "[ . 1 . 2]" 1
286 1 19 LEU HB3 1 75 THR H . . 4.110 2.656 2.548 2.753 . 0 0 "[ . 1 . 2]" 1
287 1 21 VAL HA 1 74 ILE H . . 5.130 4.840 4.702 5.002 . 0 0 "[ . 1 . 2]" 1
288 1 71 GLU HB3 1 73 TYR H . . 5.500 5.449 5.384 5.507 0.007 10 0 "[ . 1 . 2]" 1
289 1 70 PRO QD 1 73 TYR H . . 5.260 5.122 5.060 5.186 . 0 0 "[ . 1 . 2]" 1
290 1 70 PRO HA 1 72 ASN H . . 4.310 3.426 3.394 3.471 . 0 0 "[ . 1 . 2]" 1
291 1 71 GLU HB3 1 72 ASN H . . 4.140 4.076 3.992 4.144 0.004 7 0 "[ . 1 . 2]" 1
292 1 71 GLU HG3 1 72 ASN H . . 4.170 3.196 2.964 3.468 . 0 0 "[ . 1 . 2]" 1
293 1 55 TRP HB3 1 69 LEU H . . 4.700 3.126 2.924 3.285 . 0 0 "[ . 1 . 2]" 1
294 1 69 LEU H 1 70 PRO QD . . 4.790 4.319 4.298 4.332 . 0 0 "[ . 1 . 2]" 1
295 1 68 LEU H 1 69 LEU H . . 4.920 4.567 4.540 4.591 . 0 0 "[ . 1 . 2]" 1
296 1 67 GLY H 1 68 LEU H . . 4.590 4.380 4.356 4.387 . 0 0 "[ . 1 . 2]" 1
297 1 33 LEU HB3 1 67 GLY H . . 4.600 3.622 3.393 4.039 . 0 0 "[ . 1 . 2]" 1
298 1 59 THR MG 1 67 GLY H . . 5.500 5.048 4.844 5.369 . 0 0 "[ . 1 . 2]" 1
299 1 58 GLY HA3 1 67 GLY H . . 4.880 4.748 4.622 4.835 . 0 0 "[ . 1 . 2]" 1
300 1 57 TYR QD 1 67 GLY H . . 4.830 4.387 4.162 4.549 . 0 0 "[ . 1 . 2]" 1
301 1 57 TYR HA 1 67 GLY H . . 4.510 4.225 4.067 4.338 . 0 0 "[ . 1 . 2]" 1
302 1 59 THR MG 1 66 SER H . . 4.680 4.029 3.690 4.655 . 0 0 "[ . 1 . 2]" 1
303 1 59 THR MG 1 65 CYS H . . 4.450 3.733 3.400 4.186 . 0 0 "[ . 1 . 2]" 1
304 1 41 ILE MD 1 62 THR H . . 5.020 4.890 4.555 5.023 0.003 11 0 "[ . 1 . 2]" 1
305 1 61 LEU HB3 1 62 THR H . . 3.710 2.694 2.341 2.942 . 0 0 "[ . 1 . 2]" 1
306 1 60 SER H 1 61 LEU H . . 4.870 4.629 4.618 4.644 . 0 0 "[ . 1 . 2]" 1
307 1 60 SER H 1 65 CYS HB3 . . 5.490 4.759 3.836 5.517 0.027 17 0 "[ . 1 . 2]" 1
308 1 60 SER H 1 65 CYS HB2 . . 5.490 4.526 3.885 5.375 . 0 0 "[ . 1 . 2]" 1
309 1 59 THR H 1 66 SER HA . . 5.140 4.649 4.488 4.782 . 0 0 "[ . 1 . 2]" 1
310 1 42 PHE QD 1 59 THR H . . 4.880 4.509 4.319 4.637 . 0 0 "[ . 1 . 2]" 1
311 1 57 TYR HB3 1 58 GLY H . . 4.600 4.249 4.128 4.322 . 0 0 "[ . 1 . 2]" 1
312 1 57 TYR HB2 1 58 GLY H . . 4.600 4.466 4.416 4.509 . 0 0 "[ . 1 . 2]" 1
313 1 58 GLY H 1 66 SER HA . . 4.900 4.704 4.457 4.880 . 0 0 "[ . 1 . 2]" 1
314 1 43 MET ME 1 57 TYR H . . 5.500 5.177 4.856 5.498 . 0 0 "[ . 1 . 2]" 1
315 1 51 THR HB 1 57 TYR H . . 5.070 3.573 3.410 3.652 . 0 0 "[ . 1 . 2]" 1
316 1 56 ILE H 1 71 GLU H . . 4.480 4.388 4.266 4.487 0.007 10 0 "[ . 1 . 2]" 1
317 1 55 TRP H 1 56 ILE H . . 4.670 4.525 4.514 4.532 . 0 0 "[ . 1 . 2]" 1
318 1 50 SER HB2 1 55 TRP H . . 5.500 5.496 5.437 5.516 0.016 18 0 "[ . 1 . 2]" 1
319 1 54 GLY H 1 55 TRP HB2 . . 4.970 3.988 3.933 4.094 . 0 0 "[ . 1 . 2]" 1
320 1 54 GLY H 1 55 TRP HD1 . . 5.050 3.414 3.187 3.593 . 0 0 "[ . 1 . 2]" 1
321 1 51 THR H 1 68 LEU MD2 . . 4.840 3.840 3.759 3.927 . 0 0 "[ . 1 . 2]" 1
322 1 43 MET H 1 44 SER H . . 5.050 4.503 4.458 4.535 . 0 0 "[ . 1 . 2]" 1
323 1 18 THR MG 1 43 MET H . . 5.380 5.113 4.880 5.365 . 0 0 "[ . 1 . 2]" 1
324 1 41 ILE HG12 1 42 PHE H . . 5.400 5.035 4.967 5.183 . 0 0 "[ . 1 . 2]" 1
325 1 42 PHE H 1 42 PHE QE . . 5.180 4.950 4.679 5.124 . 0 0 "[ . 1 . 2]" 1
326 1 42 PHE H 1 60 SER H . . 5.240 4.926 4.620 5.120 . 0 0 "[ . 1 . 2]" 1
327 1 40 PHE H 1 62 THR HB . . 5.500 5.459 5.318 5.509 0.009 17 0 "[ . 1 . 2]" 1
328 1 38 GLY H 1 39 ASP HB3 . . 5.500 4.995 4.645 5.508 0.008 17 0 "[ . 1 . 2]" 1
329 1 36 VAL H 1 41 ILE MD . . 4.630 4.158 3.902 4.406 . 0 0 "[ . 1 . 2]" 1
330 1 36 VAL H 1 39 ASP H . . 4.920 4.784 4.657 4.924 0.004 15 0 "[ . 1 . 2]" 1
331 1 33 LEU H 1 67 GLY HA2 . . 5.420 5.141 4.979 5.399 . 0 0 "[ . 1 . 2]" 1
332 1 25 TYR QD 1 33 LEU H . . 5.100 4.379 3.992 4.559 . 0 0 "[ . 1 . 2]" 1
333 1 27 PRO HB2 1 32 GLU H . . 4.620 4.407 4.297 4.543 . 0 0 "[ . 1 . 2]" 1
334 1 25 TYR QE 1 32 GLU H . . 5.500 5.474 5.397 5.512 0.012 16 0 "[ . 1 . 2]" 1
335 1 30 ASP H 1 32 GLU H . . 5.500 4.439 4.266 4.573 . 0 0 "[ . 1 . 2]" 1
336 1 29 ASN H 1 30 ASP H . . 4.900 4.367 4.358 4.389 . 0 0 "[ . 1 . 2]" 1
337 1 29 ASN H 1 29 ASN HB3 . . 3.960 3.847 3.667 3.979 0.019 16 0 "[ . 1 . 2]" 1
338 1 28 GLN HB2 1 29 ASN H . . 3.320 3.218 3.065 3.271 . 0 0 "[ . 1 . 2]" 1
339 1 28 GLN H 1 28 GLN HB2 . . 3.520 2.734 2.609 2.771 . 0 0 "[ . 1 . 2]" 1
340 1 26 THR H 1 26 THR MG . . 3.930 3.845 3.796 3.932 0.002 11 0 "[ . 1 . 2]" 1
341 1 25 TYR HB3 1 26 THR H . . 4.590 4.256 3.872 4.466 . 0 0 "[ . 1 . 2]" 1
342 1 25 TYR HB2 1 26 THR H . . 4.120 4.013 3.719 4.146 0.026 17 0 "[ . 1 . 2]" 1
343 1 25 TYR QE 1 26 THR H . . 5.000 4.243 3.322 4.828 . 0 0 "[ . 1 . 2]" 1
344 1 26 THR H 1 73 TYR QE . . 5.410 4.704 4.353 5.090 . 0 0 "[ . 1 . 2]" 1
345 1 25 TYR QD 1 26 THR H . . 3.660 3.109 2.190 3.669 0.009 13 0 "[ . 1 . 2]" 1
346 1 25 TYR H 1 35 LEU HA . . 4.760 4.588 4.470 4.715 . 0 0 "[ . 1 . 2]" 1
347 1 25 TYR H 1 26 THR H . . 4.610 4.195 3.880 4.440 . 0 0 "[ . 1 . 2]" 1
348 1 21 VAL MG1 1 23 TYR H . . 3.220 1.993 1.875 2.156 . 0 0 "[ . 1 . 2]" 1
349 1 23 TYR H 1 23 TYR HB3 . . 4.120 3.966 3.892 3.999 . 0 0 "[ . 1 . 2]" 1
350 1 23 TYR H 1 73 TYR HB2 . . 5.410 5.150 5.056 5.268 . 0 0 "[ . 1 . 2]" 1
351 1 22 ILE H 1 22 ILE HG12 . . 3.360 2.131 1.918 2.335 . 0 0 "[ . 1 . 2]" 1
352 1 22 ILE H 1 74 ILE HB . . 5.080 4.895 4.701 5.083 0.003 3 0 "[ . 1 . 2]" 1
353 1 21 VAL HB 1 22 ILE H . . 4.800 4.113 3.957 4.266 . 0 0 "[ . 1 . 2]" 1
354 1 22 ILE H 1 37 PRO HA . . 5.430 4.928 4.667 5.131 . 0 0 "[ . 1 . 2]" 1
355 1 22 ILE H 1 73 TYR HB3 . . 5.500 4.135 4.033 4.263 . 0 0 "[ . 1 . 2]" 1
356 1 21 VAL H 1 22 ILE H . . 4.690 4.577 4.535 4.625 . 0 0 "[ . 1 . 2]" 1
357 1 21 VAL H 1 39 ASP HB3 . . 5.190 4.572 4.197 5.046 . 0 0 "[ . 1 . 2]" 1
358 1 21 VAL H 1 37 PRO HA . . 5.380 4.962 4.669 5.267 . 0 0 "[ . 1 . 2]" 1
359 1 20 GLN H 1 21 VAL HA . . 5.500 5.118 5.086 5.152 . 0 0 "[ . 1 . 2]" 1
360 1 20 GLN H 1 75 THR HB . . 5.500 4.772 4.584 4.968 . 0 0 "[ . 1 . 2]" 1
361 1 20 GLN H 1 40 PHE QD . . 5.330 3.967 3.813 4.091 . 0 0 "[ . 1 . 2]" 1
362 1 18 THR H 1 77 ALA MB . . 4.960 3.573 3.271 4.445 . 0 0 "[ . 1 . 2]" 1
363 1 18 THR H 1 19 LEU HG . . 4.940 4.177 3.959 4.363 . 0 0 "[ . 1 . 2]" 1
364 1 16 HIS HD2 1 17 GLU H . . 4.970 4.635 2.326 4.972 0.002 14 0 "[ . 1 . 2]" 1
365 1 14 ALA MB 1 16 HIS H . . 4.760 3.429 2.582 4.357 . 0 0 "[ . 1 . 2]" 1
366 1 16 HIS H 1 16 HIS HD2 . . 5.500 5.286 5.006 5.508 0.008 9 0 "[ . 1 . 2]" 1
367 1 15 ASN H 1 16 HIS H . . 4.440 3.069 1.889 3.908 . 0 0 "[ . 1 . 2]" 1
368 1 11 ILE HB 1 14 ALA H . . 5.500 4.802 2.395 5.452 . 0 0 "[ . 1 . 2]" 1
369 1 9 ARG QG 1 10 ASP H . . 4.560 3.858 2.383 4.543 . 0 0 "[ . 1 . 2]" 1
370 1 9 ARG HB2 1 10 ASP H . . 4.460 3.720 2.479 4.468 0.008 18 0 "[ . 1 . 2]" 1
371 1 26 THR HB 1 28 GLN HE21 . . 4.620 3.782 3.639 3.910 . 0 0 "[ . 1 . 2]" 1
372 1 14 ALA MB 1 15 ASN HD21 . . 4.900 3.953 2.449 4.846 . 0 0 "[ . 1 . 2]" 1
373 1 14 ALA MB 1 15 ASN HD22 . . 4.900 4.249 2.795 4.881 . 0 0 "[ . 1 . 2]" 1
374 1 29 ASN HB3 1 29 ASN HD22 . . 4.090 3.807 3.435 4.030 . 0 0 "[ . 1 . 2]" 1
375 1 45 PRO HA 1 47 GLU H . . 4.170 3.806 3.482 4.175 0.005 7 0 "[ . 1 . 2]" 1
376 1 9 ARG HB3 1 10 ASP H . . 4.460 3.633 2.786 4.461 0.001 8 0 "[ . 1 . 2]" 1
377 1 16 HIS HB2 1 17 GLU H . . 4.290 4.170 3.882 4.288 . 0 0 "[ . 1 . 2]" 1
378 1 71 GLU H 1 71 GLU HB2 . . 3.580 3.543 3.520 3.562 . 0 0 "[ . 1 . 2]" 1
379 1 18 THR H 1 19 LEU MD1 . . 5.500 5.337 5.141 5.505 0.005 7 0 "[ . 1 . 2]" 1
380 1 21 VAL H 1 39 ASP H . . 4.150 3.505 3.342 3.647 . 0 0 "[ . 1 . 2]" 1
381 1 18 THR HA 1 43 MET H . . 4.480 3.600 3.329 3.787 . 0 0 "[ . 1 . 2]" 1
382 1 58 GLY H 1 68 LEU HA . . 4.100 3.525 3.231 3.864 . 0 0 "[ . 1 . 2]" 1
383 1 54 GLY HA3 1 55 TRP H . . 3.480 3.006 2.946 3.083 . 0 0 "[ . 1 . 2]" 1
384 1 49 THR H 1 50 SER H . . 5.270 4.373 3.980 4.603 . 0 0 "[ . 1 . 2]" 1
385 1 17 GLU H 1 44 SER HA . . 4.540 3.765 3.457 3.999 . 0 0 "[ . 1 . 2]" 1
386 1 25 TYR H 1 35 LEU MD2 . . 5.050 4.693 3.690 5.015 . 0 0 "[ . 1 . 2]" 1
387 1 21 VAL MG1 1 25 TYR H . . 5.350 4.662 4.464 4.998 . 0 0 "[ . 1 . 2]" 1
388 1 27 PRO HB2 1 29 ASN H . . 3.620 2.730 2.586 2.854 . 0 0 "[ . 1 . 2]" 1
389 1 47 GLU H 1 47 GLU HB2 . . 3.770 2.750 2.582 3.616 . 0 0 "[ . 1 . 2]" 1
390 1 48 GLN H 1 49 THR H . . 4.740 4.037 3.317 4.551 . 0 0 "[ . 1 . 2]" 1
391 1 72 ASN QB 1 72 ASN HD22 . . 3.780 3.264 3.213 3.369 . 0 0 "[ . 1 . 2]" 1
392 1 35 LEU H 1 35 LEU MD2 . . 4.510 3.252 2.281 4.061 . 0 0 "[ . 1 . 2]" 1
393 1 34 GLU HG2 1 35 LEU H . . 3.400 2.445 1.957 2.970 . 0 0 "[ . 1 . 2]" 1
394 1 25 TYR HB3 1 35 LEU H . . 3.760 3.107 2.485 3.483 . 0 0 "[ . 1 . 2]" 1
395 1 27 PRO HD3 1 35 LEU H . . 4.010 3.450 3.204 3.597 . 0 0 "[ . 1 . 2]" 1
396 1 34 GLU HA 1 35 LEU H . . 3.030 2.244 2.155 2.327 . 0 0 "[ . 1 . 2]" 1
397 1 34 GLU H 1 35 LEU H . . 4.740 4.615 4.549 4.640 . 0 0 "[ . 1 . 2]" 1
398 1 29 ASN H 1 29 ASN HB2 . . 3.960 3.078 2.748 3.900 . 0 0 "[ . 1 . 2]" 1
399 1 29 ASN H 1 30 ASP HA . . 5.200 4.968 4.909 5.016 . 0 0 "[ . 1 . 2]" 1
400 1 48 GLN H 1 48 GLN HB2 . . 3.640 2.858 2.174 3.676 0.036 15 0 "[ . 1 . 2]" 1
401 1 33 LEU H 1 67 GLY H . . 5.500 5.480 5.406 5.514 0.014 17 0 "[ . 1 . 2]" 1
402 1 29 ASN H 1 29 ASN HD22 . . 5.150 4.858 3.649 5.158 0.008 19 0 "[ . 1 . 2]" 1
403 1 44 SER H 1 47 GLU H . . 4.850 4.480 4.306 4.872 0.022 20 0 "[ . 1 . 2]" 1
404 1 48 GLN H 1 49 THR HA . . 5.500 5.157 4.741 5.496 . 0 0 "[ . 1 . 2]" 1
405 1 47 GLU QG 1 48 GLN H . . 4.700 4.484 3.770 4.708 0.008 20 0 "[ . 1 . 2]" 1
406 1 29 ASN HB3 1 30 ASP H . . 3.950 2.272 1.936 3.311 . 0 0 "[ . 1 . 2]" 1
407 1 61 LEU HB3 1 63 THR H . . 5.440 5.218 4.953 5.445 0.005 4 0 "[ . 1 . 2]" 1
408 1 66 SER H 1 67 GLY HA3 . . 5.370 5.001 4.754 5.167 . 0 0 "[ . 1 . 2]" 1
409 1 59 THR HA 1 66 SER H . . 5.090 4.555 4.393 4.681 . 0 0 "[ . 1 . 2]" 1
410 1 66 SER H 1 67 GLY HA2 . . 5.320 5.241 5.078 5.331 0.011 1 0 "[ . 1 . 2]" 1
411 1 44 SER HA 1 47 GLU H . . 5.380 4.731 4.568 4.921 . 0 0 "[ . 1 . 2]" 1
412 1 27 PRO HG2 1 28 GLN H . . 4.730 4.383 4.332 4.484 . 0 0 "[ . 1 . 2]" 1
413 1 27 PRO HD3 1 28 GLN H . . 5.500 5.526 5.512 5.552 0.052 16 0 "[ . 1 . 2]" 1
414 1 29 ASN H 1 31 ASP H . . 5.230 4.819 4.565 5.128 . 0 0 "[ . 1 . 2]" 1
415 1 47 GLU H 1 57 TYR QD . . 5.210 4.880 4.427 5.211 0.001 10 0 "[ . 1 . 2]" 1
416 1 47 GLU H 1 47 GLU QG . . 3.390 2.767 2.128 3.225 . 0 0 "[ . 1 . 2]" 1
417 1 86 HIS HA 1 87 GLY QA . . 4.360 4.026 3.888 4.348 . 0 0 "[ . 1 . 2]" 1
418 1 55 TRP HA 1 71 GLU H . . 3.440 2.740 2.661 2.815 . 0 0 "[ . 1 . 2]" 1
419 1 55 TRP HA 1 56 ILE H . . 2.880 2.593 2.580 2.599 . 0 0 "[ . 1 . 2]" 1
420 1 55 TRP HE3 1 69 LEU MD2 . . 5.240 4.641 4.574 4.696 . 0 0 "[ . 1 . 2]" 1
421 1 55 TRP HE3 1 68 LEU HB3 . . 3.510 2.860 2.809 2.944 . 0 0 "[ . 1 . 2]" 1
422 1 32 GLU HB3 1 55 TRP HE3 . . 4.910 4.493 4.153 4.675 . 0 0 "[ . 1 . 2]" 1
423 1 55 TRP HE3 1 70 PRO QD . . 4.180 3.185 3.086 3.271 . 0 0 "[ . 1 . 2]" 1
424 1 55 TRP HB3 1 55 TRP HE3 . . 3.580 2.480 2.451 2.501 . 0 0 "[ . 1 . 2]" 1
425 1 55 TRP HE3 1 69 LEU HA . . 3.920 2.610 2.496 2.692 . 0 0 "[ . 1 . 2]" 1
426 1 55 TRP HE3 1 68 LEU HA . . 4.570 4.469 4.347 4.571 0.001 10 0 "[ . 1 . 2]" 1
427 1 85 PHE H 1 85 PHE HB3 . . 4.070 3.452 2.202 3.627 . 0 0 "[ . 1 . 2]" 1
428 1 84 ILE HA 1 85 PHE QD . . 5.440 5.094 3.813 5.440 0.000 6 0 "[ . 1 . 2]" 1
429 1 82 THR HA 1 85 PHE QD . . 5.500 4.807 4.018 5.368 . 0 0 "[ . 1 . 2]" 1
430 1 84 ILE HA 1 84 ILE HG13 . . 3.760 3.399 2.875 3.699 . 0 0 "[ . 1 . 2]" 1
431 1 84 ILE HA 1 84 ILE HG12 . . 3.760 2.605 2.291 2.884 . 0 0 "[ . 1 . 2]" 1
432 1 84 ILE H 1 84 ILE HB . . 3.410 2.597 2.518 2.702 . 0 0 "[ . 1 . 2]" 1
433 1 84 ILE H 1 84 ILE HG12 . . 4.400 3.575 3.066 4.253 . 0 0 "[ . 1 . 2]" 1
434 1 84 ILE HA 1 84 ILE MG . . 3.110 2.477 2.405 2.535 . 0 0 "[ . 1 . 2]" 1
435 1 84 ILE H 1 84 ILE MG . . 3.940 3.762 3.705 3.832 . 0 0 "[ . 1 . 2]" 1
436 1 84 ILE MG 1 85 PHE H . . 3.860 2.962 2.384 3.784 . 0 0 "[ . 1 . 2]" 1
437 1 22 ILE MD 1 75 THR HB . . 3.290 2.906 2.492 3.077 . 0 0 "[ . 1 . 2]" 1
438 1 22 ILE MD 1 73 TYR HA . . 3.860 2.999 2.778 3.215 . 0 0 "[ . 1 . 2]" 1
439 1 22 ILE MD 1 74 ILE HA . . 3.970 3.509 3.321 3.637 . 0 0 "[ . 1 . 2]" 1
440 1 22 ILE MD 1 23 TYR QD . . 3.990 2.315 2.023 2.638 . 0 0 "[ . 1 . 2]" 1
441 1 22 ILE MD 1 74 ILE H . . 3.950 2.952 2.650 3.182 . 0 0 "[ . 1 . 2]" 1
442 1 22 ILE H 1 22 ILE MD . . 3.710 3.618 3.546 3.714 0.004 16 0 "[ . 1 . 2]" 1
443 1 83 TRP HA 1 83 TRP HD1 . . 4.290 4.178 4.086 4.271 . 0 0 "[ . 1 . 2]" 1
444 1 83 TRP QB 1 83 TRP HD1 . . 3.550 2.870 2.812 2.929 . 0 0 "[ . 1 . 2]" 1
445 1 83 TRP QB 1 83 TRP HE3 . . 3.370 2.379 2.375 2.387 . 0 0 "[ . 1 . 2]" 1
446 1 86 HIS HA 1 86 HIS HD2 . . 4.320 3.902 3.178 4.320 . 0 0 "[ . 1 . 2]" 1
447 1 55 TRP HZ2 1 70 PRO HB3 . . 5.500 5.360 5.204 5.488 . 0 0 "[ . 1 . 2]" 1
448 1 83 TRP HZ2 1 84 ILE MD . . 5.500 4.139 2.433 5.284 . 0 0 "[ . 1 . 2]" 1
449 1 83 TRP HA 1 83 TRP HE3 . . 4.730 4.577 4.433 4.703 . 0 0 "[ . 1 . 2]" 1
450 1 82 THR HA 1 82 THR MG . . 3.060 2.196 2.035 2.326 . 0 0 "[ . 1 . 2]" 1
451 1 82 THR HB 1 83 TRP H . . 4.040 2.838 1.895 3.690 . 0 0 "[ . 1 . 2]" 1
452 1 82 THR MG 1 83 TRP HD1 . . 4.360 3.310 1.894 4.121 . 0 0 "[ . 1 . 2]" 1
453 1 82 THR MG 1 85 PHE QE . . 4.940 4.140 3.379 4.735 . 0 0 "[ . 1 . 2]" 1
454 1 79 GLU HA 1 79 GLU QG . . 3.470 2.866 2.232 3.442 . 0 0 "[ . 1 . 2]" 1
455 1 29 ASN HB2 1 29 ASN HD22 . . 4.090 3.650 3.433 4.078 . 0 0 "[ . 1 . 2]" 1
456 1 29 ASN HB2 1 29 ASN HD21 . . 3.470 2.591 2.114 3.518 0.048 19 0 "[ . 1 . 2]" 1
457 1 77 ALA HA 1 78 ASP H . . 3.270 2.282 2.156 2.723 . 0 0 "[ . 1 . 2]" 1
458 1 20 GLN HB2 1 77 ALA HA . . 3.960 3.524 3.163 3.852 . 0 0 "[ . 1 . 2]" 1
459 1 77 ALA H 1 77 ALA MB . . 2.770 2.137 2.025 2.266 . 0 0 "[ . 1 . 2]" 1
460 1 20 GLN H 1 77 ALA MB . . 4.540 4.431 4.079 4.546 0.006 9 0 "[ . 1 . 2]" 1
461 1 40 PHE QE 1 77 ALA MB . . 3.330 2.850 2.461 3.267 . 0 0 "[ . 1 . 2]" 1
462 1 19 LEU HA 1 77 ALA MB . . 3.630 3.320 3.024 3.611 . 0 0 "[ . 1 . 2]" 1
463 1 76 LYS HA 1 76 LYS HG2 . . 3.860 2.917 2.237 3.643 . 0 0 "[ . 1 . 2]" 1
464 1 19 LEU HA 1 76 LYS HA . . 3.270 2.995 2.796 3.111 . 0 0 "[ . 1 . 2]" 1
465 1 76 LYS HA 1 77 ALA H . . 2.790 2.253 2.192 2.324 . 0 0 "[ . 1 . 2]" 1
466 1 76 LYS H 1 76 LYS HB3 . . 3.600 3.516 3.490 3.567 . 0 0 "[ . 1 . 2]" 1
467 1 76 LYS HB3 1 77 ALA H . . 3.850 2.914 2.717 3.087 . 0 0 "[ . 1 . 2]" 1
468 1 19 LEU MD2 1 76 LYS HG2 . . 4.530 3.386 2.511 4.278 . 0 0 "[ . 1 . 2]" 1
469 1 19 LEU MD2 1 76 LYS HG3 . . 4.530 3.489 2.461 4.364 . 0 0 "[ . 1 . 2]" 1
470 1 76 LYS HA 1 76 LYS HG3 . . 3.860 2.975 2.202 3.645 . 0 0 "[ . 1 . 2]" 1
471 1 76 LYS HA 1 76 LYS QD . . 4.000 3.052 1.994 4.021 0.021 15 0 "[ . 1 . 2]" 1
472 1 76 LYS QE 1 76 LYS HG3 . . 3.510 2.807 2.103 3.464 . 0 0 "[ . 1 . 2]" 1
473 1 19 LEU MD2 1 76 LYS QE . . 3.910 2.636 1.798 3.719 . 0 0 "[ . 1 . 2]" 1
474 1 22 ILE HG12 1 75 THR HB . . 3.940 3.320 3.139 3.599 . 0 0 "[ . 1 . 2]" 1
475 1 75 THR HB 1 76 LYS H . . 4.020 3.920 3.781 4.067 0.047 3 0 "[ . 1 . 2]" 1
476 1 75 THR H 1 75 THR HB . . 3.740 3.246 3.149 3.352 . 0 0 "[ . 1 . 2]" 1
477 1 22 ILE MG 1 75 THR MG . . 3.060 2.234 1.929 2.491 . 0 0 "[ . 1 . 2]" 1
478 1 22 ILE MD 1 75 THR MG . . 4.010 3.918 3.535 4.016 0.006 1 0 "[ . 1 . 2]" 1
479 1 75 THR HA 1 75 THR MG . . 3.440 3.177 3.163 3.195 . 0 0 "[ . 1 . 2]" 1
480 1 75 THR H 1 75 THR MG . . 3.170 2.585 2.519 2.663 . 0 0 "[ . 1 . 2]" 1
481 1 20 GLN H 1 75 THR MG . . 3.850 2.309 2.137 2.538 . 0 0 "[ . 1 . 2]" 1
482 1 74 ILE HA 1 75 THR MG . . 4.310 4.033 3.780 4.226 . 0 0 "[ . 1 . 2]" 1
483 1 22 ILE HG12 1 74 ILE HA . . 3.140 2.219 2.025 2.376 . 0 0 "[ . 1 . 2]" 1
484 1 74 ILE HA 1 74 ILE HG13 . . 3.900 3.566 3.541 3.587 . 0 0 "[ . 1 . 2]" 1
485 1 74 ILE H 1 74 ILE HG12 . . 3.650 3.603 3.537 3.659 0.009 13 0 "[ . 1 . 2]" 1
486 1 74 ILE MG 1 75 THR H . . 3.500 3.434 3.360 3.499 . 0 0 "[ . 1 . 2]" 1
487 1 74 ILE H 1 74 ILE MG . . 3.470 3.063 2.987 3.130 . 0 0 "[ . 1 . 2]" 1
488 1 74 ILE HA 1 74 ILE MG . . 2.940 2.334 2.311 2.351 . 0 0 "[ . 1 . 2]" 1
489 1 21 VAL HA 1 74 ILE MG . . 2.840 2.289 2.175 2.399 . 0 0 "[ . 1 . 2]" 1
490 1 73 TYR HB3 1 74 ILE MG . . 3.670 3.381 3.324 3.477 . 0 0 "[ . 1 . 2]" 1
491 1 73 TYR HB2 1 74 ILE MG . . 3.820 3.360 3.292 3.435 . 0 0 "[ . 1 . 2]" 1
492 1 74 ILE MD 1 75 THR H . . 3.650 2.855 2.613 3.027 . 0 0 "[ . 1 . 2]" 1
493 1 74 ILE H 1 74 ILE MD . . 3.460 3.032 2.910 3.125 . 0 0 "[ . 1 . 2]" 1
494 1 74 ILE HA 1 74 ILE MD . . 3.780 3.674 3.626 3.724 . 0 0 "[ . 1 . 2]" 1
495 1 19 LEU HA 1 74 ILE MD . . 4.550 4.352 4.259 4.515 . 0 0 "[ . 1 . 2]" 1
496 1 74 ILE MD 1 75 THR HA . . 3.400 2.838 2.679 2.948 . 0 0 "[ . 1 . 2]" 1
497 1 74 ILE MD 1 75 THR HB . . 4.550 4.474 4.320 4.551 0.001 20 0 "[ . 1 . 2]" 1
498 1 71 GLU HA 1 74 ILE MD . . 3.220 2.921 2.821 2.973 . 0 0 "[ . 1 . 2]" 1
499 1 23 TYR HB2 1 73 TYR HA . . 3.840 2.913 2.755 3.021 . 0 0 "[ . 1 . 2]" 1
500 1 35 LEU MD2 1 73 TYR HB3 . . 4.430 4.141 3.178 4.438 0.008 16 0 "[ . 1 . 2]" 1
501 1 73 TYR HB3 1 74 ILE H . . 4.750 4.119 4.081 4.178 . 0 0 "[ . 1 . 2]" 1
502 1 73 TYR H 1 73 TYR HB3 . . 3.710 3.717 3.697 3.729 0.019 3 0 "[ . 1 . 2]" 1
503 1 73 TYR HA 1 73 TYR QD . . 3.830 3.015 2.967 3.054 . 0 0 "[ . 1 . 2]" 1
504 1 57 TYR QE 1 68 LEU MD1 . . 4.990 4.621 4.448 4.938 . 0 0 "[ . 1 . 2]" 1
505 1 57 TYR QE 1 68 LEU MD2 . . 5.010 4.862 4.613 4.995 . 0 0 "[ . 1 . 2]" 1
506 1 57 TYR QE 1 68 LEU HG . . 4.450 3.871 3.612 4.131 . 0 0 "[ . 1 . 2]" 1
507 1 57 TYR QE 1 67 GLY HA3 . . 4.570 4.338 4.175 4.479 . 0 0 "[ . 1 . 2]" 1
508 1 57 TYR QE 1 67 GLY HA2 . . 3.410 2.658 2.512 2.781 . 0 0 "[ . 1 . 2]" 1
509 1 57 TYR QE 1 67 GLY H . . 4.460 4.118 3.811 4.339 . 0 0 "[ . 1 . 2]" 1
510 1 57 TYR QE 1 68 LEU H . . 4.590 4.172 3.994 4.555 . 0 0 "[ . 1 . 2]" 1
511 1 57 TYR HA 1 57 TYR QE . . 4.890 4.588 4.541 4.629 . 0 0 "[ . 1 . 2]" 1
512 1 57 TYR QE 1 58 GLY HA2 . . 5.300 5.140 5.032 5.299 . 0 0 "[ . 1 . 2]" 1
513 1 72 ASN QB 1 73 TYR QD . . 4.040 2.622 2.467 2.704 . 0 0 "[ . 1 . 2]" 1
514 1 56 ILE MD 1 71 GLU HA . . 3.000 1.959 1.905 1.979 . 0 0 "[ . 1 . 2]" 1
515 1 71 GLU HA 1 74 ILE HG13 . . 3.360 2.569 2.470 2.675 . 0 0 "[ . 1 . 2]" 1
516 1 71 GLU HA 1 74 ILE HG12 . . 3.540 3.191 3.038 3.374 . 0 0 "[ . 1 . 2]" 1
517 1 71 GLU HA 1 71 GLU HG3 . . 3.610 3.579 3.556 3.597 . 0 0 "[ . 1 . 2]" 1
518 1 56 ILE MD 1 71 GLU HB2 . . 3.740 3.180 2.718 3.395 . 0 0 "[ . 1 . 2]" 1
519 1 71 GLU HB2 1 74 ILE MD . . 4.090 3.326 3.215 3.436 . 0 0 "[ . 1 . 2]" 1
520 1 56 ILE MD 1 71 GLU HB3 . . 3.690 3.422 3.097 3.652 . 0 0 "[ . 1 . 2]" 1
521 1 71 GLU H 1 71 GLU HG2 . . 3.820 2.667 2.578 2.770 . 0 0 "[ . 1 . 2]" 1
522 1 55 TRP HA 1 70 PRO HA . . 3.170 2.695 2.497 2.786 . 0 0 "[ . 1 . 2]" 1
523 1 70 PRO HA 1 71 GLU H . . 2.730 2.155 2.151 2.162 . 0 0 "[ . 1 . 2]" 1
524 1 70 PRO HB2 1 73 TYR QD . . 3.400 2.082 1.999 2.222 . 0 0 "[ . 1 . 2]" 1
525 1 70 PRO HB3 1 73 TYR QD . . 4.170 3.661 3.569 3.780 . 0 0 "[ . 1 . 2]" 1
526 1 70 PRO HB3 1 73 TYR QE . . 4.530 3.775 3.644 3.905 . 0 0 "[ . 1 . 2]" 1
527 1 70 PRO HB3 1 71 GLU H . . 4.310 4.109 4.013 4.182 . 0 0 "[ . 1 . 2]" 1
528 1 70 PRO HG2 1 73 TYR HB2 . . 3.870 2.036 2.003 2.095 . 0 0 "[ . 1 . 2]" 1
529 1 70 PRO HG2 1 73 TYR QD . . 3.750 2.491 2.383 2.607 . 0 0 "[ . 1 . 2]" 1
530 1 70 PRO HG3 1 73 TYR QD . . 4.230 3.307 3.217 3.381 . 0 0 "[ . 1 . 2]" 1
531 1 70 PRO HG3 1 73 TYR QE . . 4.320 3.413 3.301 3.506 . 0 0 "[ . 1 . 2]" 1
532 1 35 LEU MD2 1 70 PRO QD . . 4.520 3.243 2.222 3.589 . 0 0 "[ . 1 . 2]" 1
533 1 69 LEU HB2 1 70 PRO QD . . 3.220 2.023 1.983 2.122 . 0 0 "[ . 1 . 2]" 1
534 1 69 LEU HB3 1 70 PRO QD . . 3.490 2.878 2.851 2.920 . 0 0 "[ . 1 . 2]" 1
535 1 69 LEU HA 1 70 PRO QD . . 2.840 2.112 2.087 2.125 . 0 0 "[ . 1 . 2]" 1
536 1 25 TYR QE 1 70 PRO QD . . 3.900 3.485 3.319 3.627 . 0 0 "[ . 1 . 2]" 1
537 1 69 LEU HB2 1 69 LEU MD1 . . 3.380 2.093 2.055 2.176 . 0 0 "[ . 1 . 2]" 1
538 1 69 LEU HB3 1 69 LEU MD1 . . 3.430 2.596 2.566 2.607 . 0 0 "[ . 1 . 2]" 1
539 1 68 LEU HA 1 69 LEU MD2 . . 3.550 2.472 2.260 2.664 . 0 0 "[ . 1 . 2]" 1
540 1 57 TYR HA 1 68 LEU HA . . 3.270 2.305 2.107 2.528 . 0 0 "[ . 1 . 2]" 1
541 1 68 LEU HA 1 69 LEU H . . 3.010 2.226 2.184 2.288 . 0 0 "[ . 1 . 2]" 1
542 1 68 LEU HB2 1 68 LEU MD1 . . 3.350 2.145 2.109 2.211 . 0 0 "[ . 1 . 2]" 1
543 1 32 GLU HA 1 68 LEU HB2 . . 3.830 2.376 2.089 2.553 . 0 0 "[ . 1 . 2]" 1
544 1 55 TRP HE3 1 68 LEU HB2 . . 4.520 4.352 4.218 4.510 . 0 0 "[ . 1 . 2]" 1
545 1 68 LEU H 1 68 LEU HB2 . . 3.590 2.212 2.188 2.262 . 0 0 "[ . 1 . 2]" 1
546 1 32 GLU HB3 1 68 LEU HB2 . . 4.090 3.566 3.261 3.735 . 0 0 "[ . 1 . 2]" 1
547 1 68 LEU HB3 1 68 LEU MD1 . . 3.390 2.527 2.508 2.550 . 0 0 "[ . 1 . 2]" 1
548 1 68 LEU HB3 1 68 LEU MD2 . . 3.590 2.234 2.175 2.323 . 0 0 "[ . 1 . 2]" 1
549 1 32 GLU HA 1 68 LEU HB3 . . 4.070 3.455 3.251 3.585 . 0 0 "[ . 1 . 2]" 1
550 1 68 LEU H 1 68 LEU HB3 . . 3.850 3.498 3.477 3.539 . 0 0 "[ . 1 . 2]" 1
551 1 68 LEU HA 1 68 LEU HG . . 3.870 2.696 2.657 2.756 . 0 0 "[ . 1 . 2]" 1
552 1 68 LEU H 1 68 LEU HG . . 3.480 3.199 3.071 3.302 . 0 0 "[ . 1 . 2]" 1
553 1 68 LEU H 1 68 LEU MD1 . . 4.030 3.756 3.657 3.849 . 0 0 "[ . 1 . 2]" 1
554 1 55 TRP HB3 1 68 LEU MD2 . . 3.150 2.200 2.012 2.469 . 0 0 "[ . 1 . 2]" 1
555 1 51 THR HA 1 68 LEU MD2 . . 3.570 3.173 3.095 3.299 . 0 0 "[ . 1 . 2]" 1
556 1 57 TYR HA 1 68 LEU MD2 . . 3.200 2.758 2.476 2.929 . 0 0 "[ . 1 . 2]" 1
557 1 68 LEU HA 1 68 LEU MD2 . . 2.890 2.217 2.043 2.320 . 0 0 "[ . 1 . 2]" 1
558 1 58 GLY H 1 68 LEU MD2 . . 4.710 4.498 4.262 4.673 . 0 0 "[ . 1 . 2]" 1
559 1 68 LEU MD2 1 69 LEU H . . 3.660 2.692 2.427 3.058 . 0 0 "[ . 1 . 2]" 1
560 1 55 TRP HE3 1 68 LEU MD2 . . 3.950 3.736 3.568 3.955 0.005 6 0 "[ . 1 . 2]" 1
561 1 33 LEU HB2 1 67 GLY HA3 . . 3.790 2.127 1.995 2.378 . 0 0 "[ . 1 . 2]" 1
562 1 67 GLY HA3 1 68 LEU H . . 3.310 2.527 2.437 2.589 . 0 0 "[ . 1 . 2]" 1
563 1 33 LEU HB2 1 67 GLY HA2 . . 3.950 3.738 3.589 3.951 0.001 3 0 "[ . 1 . 2]" 1
564 1 67 GLY HA2 1 68 LEU H . . 3.320 2.600 2.538 2.697 . 0 0 "[ . 1 . 2]" 1
565 1 66 SER H 1 66 SER HB3 . . 3.970 3.238 2.494 3.958 . 0 0 "[ . 1 . 2]" 1
566 1 65 CYS H 1 65 CYS HB2 . . 3.680 2.566 2.310 3.602 . 0 0 "[ . 1 . 2]" 1
567 1 65 CYS HB3 1 66 SER H . . 3.900 2.950 2.106 3.889 . 0 0 "[ . 1 . 2]" 1
568 1 59 THR MG 1 64 GLY HA3 . . 3.970 3.921 3.731 3.978 0.008 18 0 "[ . 1 . 2]" 1
569 1 62 THR HB 1 63 THR MG . . 3.500 3.085 2.766 3.414 . 0 0 "[ . 1 . 2]" 1
570 1 63 THR HA 1 63 THR MG . . 2.700 2.381 2.145 2.540 . 0 0 "[ . 1 . 2]" 1
571 1 63 THR H 1 63 THR MG . . 3.190 2.459 2.059 2.947 . 0 0 "[ . 1 . 2]" 1
572 1 62 THR HA 1 62 THR MG . . 2.940 2.504 2.416 2.565 . 0 0 "[ . 1 . 2]" 1
573 1 62 THR MG 1 63 THR HA . . 3.630 3.258 2.928 3.601 . 0 0 "[ . 1 . 2]" 1
574 1 62 THR MG 1 63 THR H . . 3.940 3.040 2.476 3.549 . 0 0 "[ . 1 . 2]" 1
575 1 61 LEU HA 1 61 LEU MD1 . . 2.890 2.214 2.002 2.442 . 0 0 "[ . 1 . 2]" 1
576 1 61 LEU HB3 1 61 LEU MD2 . . 3.190 2.219 2.038 2.320 . 0 0 "[ . 1 . 2]" 1
577 1 40 PHE QB 1 61 LEU HB3 . . 3.640 3.070 2.889 3.289 . 0 0 "[ . 1 . 2]" 1
578 1 61 LEU HB2 1 61 LEU MD2 . . 3.510 2.476 2.367 2.599 . 0 0 "[ . 1 . 2]" 1
579 1 61 LEU HB2 1 61 LEU MD1 . . 3.660 2.215 2.082 2.337 . 0 0 "[ . 1 . 2]" 1
580 1 61 LEU HA 1 61 LEU HG . . 3.720 2.795 2.716 3.004 . 0 0 "[ . 1 . 2]" 1
581 1 61 LEU H 1 61 LEU HG . . 4.610 4.576 4.547 4.617 0.007 4 0 "[ . 1 . 2]" 1
582 1 40 PHE QB 1 61 LEU MD2 . . 3.190 2.145 1.965 2.317 . 0 0 "[ . 1 . 2]" 1
583 1 61 LEU HA 1 61 LEU MD2 . . 4.010 3.858 3.815 3.864 . 0 0 "[ . 1 . 2]" 1
584 1 40 PHE QD 1 61 LEU MD2 . . 3.370 2.402 2.012 2.658 . 0 0 "[ . 1 . 2]" 1
585 1 40 PHE QB 1 61 LEU MD1 . . 3.640 3.290 3.004 3.608 . 0 0 "[ . 1 . 2]" 1
586 1 42 PHE QE 1 61 LEU MD1 . . 3.360 1.848 1.771 1.905 . 0 0 "[ . 1 . 2]" 1
587 1 60 SER HA 1 61 LEU H . . 3.350 2.325 2.253 2.520 . 0 0 "[ . 1 . 2]" 1
588 1 33 LEU MD2 1 60 SER HB2 . . 3.830 2.314 2.079 2.589 . 0 0 "[ . 1 . 2]" 1
589 1 59 THR MG 1 60 SER HB3 . . 4.600 3.820 3.492 4.083 . 0 0 "[ . 1 . 2]" 1
590 1 41 ILE MG 1 59 THR HA . . 4.620 3.732 3.529 4.109 . 0 0 "[ . 1 . 2]" 1
591 1 42 PHE HB2 1 59 THR HB . . 3.520 2.341 2.042 2.501 . 0 0 "[ . 1 . 2]" 1
592 1 42 PHE HB3 1 59 THR HB . . 4.110 3.906 3.572 4.096 . 0 0 "[ . 1 . 2]" 1
593 1 42 PHE QD 1 59 THR HB . . 3.970 3.082 2.833 3.262 . 0 0 "[ . 1 . 2]" 1
594 1 42 PHE H 1 59 THR HB . . 4.050 3.259 3.047 3.529 . 0 0 "[ . 1 . 2]" 1
595 1 59 THR MG 1 64 GLY HA2 . . 3.970 2.799 2.646 2.901 . 0 0 "[ . 1 . 2]" 1
596 1 59 THR HA 1 59 THR MG . . 3.210 2.398 2.281 2.509 . 0 0 "[ . 1 . 2]" 1
597 1 59 THR MG 1 66 SER HA . . 3.930 3.268 2.996 3.672 . 0 0 "[ . 1 . 2]" 1
598 1 59 THR MG 1 60 SER H . . 3.290 2.476 1.976 2.869 . 0 0 "[ . 1 . 2]" 1
599 1 51 THR MG 1 57 TYR HB2 . . 4.080 2.787 2.612 2.899 . 0 0 "[ . 1 . 2]" 1
600 1 30 ASP HB3 1 31 ASP H . . 4.060 3.312 2.608 3.983 . 0 0 "[ . 1 . 2]" 1
601 1 51 THR MG 1 57 TYR HB3 . . 4.080 3.319 3.018 3.461 . 0 0 "[ . 1 . 2]" 1
602 1 30 ASP HB2 1 31 ASP H . . 4.060 3.533 2.643 4.053 . 0 0 "[ . 1 . 2]" 1
603 1 57 TYR QD 1 68 LEU MD2 . . 3.220 2.925 2.668 3.072 . 0 0 "[ . 1 . 2]" 1
604 1 57 TYR QD 1 68 LEU HG . . 3.540 2.078 1.999 2.439 . 0 0 "[ . 1 . 2]" 1
605 1 47 GLU HB3 1 57 TYR QD . . 4.140 2.872 1.998 3.854 . 0 0 "[ . 1 . 2]" 1
606 1 56 ILE HA 1 57 TYR H . . 3.140 2.150 2.139 2.184 . 0 0 "[ . 1 . 2]" 1
607 1 56 ILE HB 1 69 LEU MD1 . . 4.400 4.394 4.296 4.414 0.014 18 0 "[ . 1 . 2]" 1
608 1 56 ILE HB 1 69 LEU HG . . 3.920 3.904 3.825 3.942 0.022 16 0 "[ . 1 . 2]" 1
609 1 56 ILE H 1 56 ILE HB . . 3.950 3.840 3.796 3.888 . 0 0 "[ . 1 . 2]" 1
610 1 56 ILE HB 1 57 TYR H . . 3.610 3.349 3.108 3.480 . 0 0 "[ . 1 . 2]" 1
611 1 56 ILE HA 1 56 ILE HG12 . . 3.820 3.726 3.651 3.782 . 0 0 "[ . 1 . 2]" 1
612 1 56 ILE HA 1 56 ILE HG13 . . 3.930 3.592 3.574 3.621 . 0 0 "[ . 1 . 2]" 1
613 1 56 ILE HG13 1 69 LEU HG . . 3.510 2.076 1.999 2.168 . 0 0 "[ . 1 . 2]" 1
614 1 56 ILE MG 1 57 TYR H . . 3.790 3.592 3.462 3.736 . 0 0 "[ . 1 . 2]" 1
615 1 56 ILE H 1 56 ILE MG . . 3.830 3.566 3.510 3.615 . 0 0 "[ . 1 . 2]" 1
616 1 55 TRP HA 1 56 ILE MG . . 4.230 3.963 3.837 4.095 . 0 0 "[ . 1 . 2]" 1
617 1 56 ILE HA 1 56 ILE MG . . 3.130 2.072 2.025 2.128 . 0 0 "[ . 1 . 2]" 1
618 1 43 MET HG3 1 56 ILE MG . . 3.940 3.116 2.847 3.501 . 0 0 "[ . 1 . 2]" 1
619 1 43 MET HG2 1 56 ILE MG . . 3.940 3.755 3.496 3.946 0.006 4 0 "[ . 1 . 2]" 1
620 1 56 ILE H 1 56 ILE MD . . 4.290 4.021 3.961 4.071 . 0 0 "[ . 1 . 2]" 1
621 1 56 ILE HA 1 56 ILE MD . . 4.290 4.160 4.145 4.179 . 0 0 "[ . 1 . 2]" 1
622 1 43 MET HG3 1 56 ILE MD . . 4.130 3.734 3.338 4.132 0.002 20 0 "[ . 1 . 2]" 1
623 1 43 MET HG2 1 56 ILE MD . . 4.130 3.797 3.481 4.067 . 0 0 "[ . 1 . 2]" 1
624 1 54 GLY HA2 1 71 GLU HG2 . . 4.050 3.710 3.310 3.974 . 0 0 "[ . 1 . 2]" 1
625 1 53 GLU HA 1 53 GLU QG . . 3.260 2.685 2.270 3.274 0.014 20 0 "[ . 1 . 2]" 1
626 1 17 GLU QG 1 19 LEU MD2 . . 4.230 3.616 1.871 4.080 . 0 0 "[ . 1 . 2]" 1
627 1 17 GLU HA 1 17 GLU QG . . 3.380 2.734 2.209 3.338 . 0 0 "[ . 1 . 2]" 1
628 1 17 GLU QG 1 18 THR H . . 3.890 3.612 2.375 3.892 0.002 12 0 "[ . 1 . 2]" 1
629 1 17 GLU H 1 17 GLU QG . . 3.660 3.060 1.890 3.782 0.122 18 0 "[ . 1 . 2]" 1
630 1 51 THR HA 1 51 THR MG . . 2.970 2.433 2.369 2.588 . 0 0 "[ . 1 . 2]" 1
631 1 51 THR HB 1 68 LEU MD2 . . 4.440 3.980 3.787 4.076 . 0 0 "[ . 1 . 2]" 1
632 1 51 THR HB 1 52 SER H . . 4.030 3.618 3.379 3.810 . 0 0 "[ . 1 . 2]" 1
633 1 51 THR MG 1 57 TYR H . . 3.390 1.862 1.793 1.923 . 0 0 "[ . 1 . 2]" 1
634 1 48 GLN HA 1 51 THR MG . . 3.420 2.138 1.945 2.672 . 0 0 "[ . 1 . 2]" 1
635 1 50 SER HB3 1 55 TRP HB2 . . 4.640 4.328 4.235 4.474 . 0 0 "[ . 1 . 2]" 1
636 1 50 SER HB3 1 55 TRP HD1 . . 4.220 4.102 4.035 4.179 . 0 0 "[ . 1 . 2]" 1
637 1 49 THR HA 1 49 THR MG . . 3.050 2.354 2.104 3.177 0.127 10 0 "[ . 1 . 2]" 1
638 1 48 GLN H 1 48 GLN HB3 . . 3.640 3.193 2.703 3.603 . 0 0 "[ . 1 . 2]" 1
639 1 45 PRO HA 1 48 GLN HG2 . . 4.130 3.282 1.996 3.824 . 0 0 "[ . 1 . 2]" 1
640 1 48 GLN H 1 48 GLN HG2 . . 3.820 3.131 1.901 3.830 0.010 1 0 "[ . 1 . 2]" 1
641 1 45 PRO HA 1 48 GLN HG3 . . 4.130 2.824 1.996 4.132 0.002 10 0 "[ . 1 . 2]" 1
642 1 48 GLN H 1 48 GLN HG3 . . 3.820 2.975 1.896 3.598 . 0 0 "[ . 1 . 2]" 1
643 1 47 GLU HB2 1 57 TYR QD . . 4.140 2.544 2.191 2.912 . 0 0 "[ . 1 . 2]" 1
644 1 47 GLU HA 1 47 GLU QG . . 3.130 2.809 2.270 3.239 0.109 8 0 "[ . 1 . 2]" 1
645 1 21 VAL HB 1 37 PRO HA . . 3.450 2.739 2.471 3.196 . 0 0 "[ . 1 . 2]" 1
646 1 21 VAL H 1 21 VAL HB . . 3.120 2.515 2.421 2.607 . 0 0 "[ . 1 . 2]" 1
647 1 46 MET H 1 46 MET HG3 . . 4.140 3.078 2.126 4.035 . 0 0 "[ . 1 . 2]" 1
648 1 46 MET HA 1 46 MET HG3 . . 3.670 3.441 2.409 3.684 0.014 3 0 "[ . 1 . 2]" 1
649 1 45 PRO HA 1 48 GLN H . . 4.050 3.677 3.329 4.054 0.004 12 0 "[ . 1 . 2]" 1
650 1 44 SER HA 1 45 PRO QD . . 2.760 1.963 1.851 2.010 . 0 0 "[ . 1 . 2]" 1
651 1 43 MET HA 1 58 GLY HA2 . . 3.810 2.501 2.249 2.872 . 0 0 "[ . 1 . 2]" 1
652 1 19 LEU MD1 1 43 MET HG2 . . 3.670 3.555 2.916 3.678 0.008 8 0 "[ . 1 . 2]" 1
653 1 43 MET HA 1 43 MET HG2 . . 3.790 2.423 2.371 2.504 . 0 0 "[ . 1 . 2]" 1
654 1 19 LEU MD1 1 43 MET HG3 . . 3.670 3.045 2.818 3.204 . 0 0 "[ . 1 . 2]" 1
655 1 43 MET HA 1 43 MET HG3 . . 3.790 3.626 3.610 3.647 . 0 0 "[ . 1 . 2]" 1
656 1 43 MET H 1 43 MET HG3 . . 4.760 4.723 4.704 4.737 . 0 0 "[ . 1 . 2]" 1
657 1 19 LEU MD1 1 43 MET HA . . 4.620 4.542 4.097 4.625 0.005 19 0 "[ . 1 . 2]" 1
658 1 19 LEU MD1 1 43 MET HB2 . . 3.760 2.344 2.112 2.479 . 0 0 "[ . 1 . 2]" 1
659 1 43 MET H 1 43 MET HG2 . . 4.760 4.406 4.388 4.427 . 0 0 "[ . 1 . 2]" 1
660 1 18 THR HA 1 42 PHE HA . . 3.660 2.827 2.482 3.052 . 0 0 "[ . 1 . 2]" 1
661 1 42 PHE HA 1 42 PHE QD . . 3.490 2.197 2.012 2.737 . 0 0 "[ . 1 . 2]" 1
662 1 42 PHE HA 1 43 MET H . . 2.940 2.145 2.140 2.161 . 0 0 "[ . 1 . 2]" 1
663 1 11 ILE MD 1 42 PHE HB2 . . 5.500 4.211 3.055 4.570 . 0 0 "[ . 1 . 2]" 1
664 1 42 PHE HB2 1 61 LEU MD1 . . 5.500 4.936 4.794 5.206 . 0 0 "[ . 1 . 2]" 1
665 1 11 ILE MD 1 42 PHE HB3 . . 4.730 3.606 2.836 4.237 . 0 0 "[ . 1 . 2]" 1
666 1 19 LEU MD1 1 41 ILE HB . . 3.510 3.330 3.125 3.514 0.004 20 0 "[ . 1 . 2]" 1
667 1 19 LEU HB2 1 41 ILE HB . . 3.750 2.606 2.427 2.864 . 0 0 "[ . 1 . 2]" 1
668 1 19 LEU H 1 41 ILE HB . . 4.310 3.470 3.319 3.730 . 0 0 "[ . 1 . 2]" 1
669 1 41 ILE MG 1 42 PHE H . . 3.290 2.478 1.964 2.815 . 0 0 "[ . 1 . 2]" 1
670 1 41 ILE H 1 41 ILE MG . . 4.000 3.933 3.849 3.986 . 0 0 "[ . 1 . 2]" 1
671 1 41 ILE HA 1 41 ILE MG . . 2.990 2.284 2.221 2.395 . 0 0 "[ . 1 . 2]" 1
672 1 41 ILE MG 1 58 GLY HA3 . . 3.190 1.914 1.824 2.208 . 0 0 "[ . 1 . 2]" 1
673 1 41 ILE MD 1 42 PHE H . . 3.810 3.664 3.370 3.811 0.001 19 0 "[ . 1 . 2]" 1
674 1 41 ILE H 1 41 ILE MD . . 4.010 3.899 3.598 4.006 . 0 0 "[ . 1 . 2]" 1
675 1 41 ILE MD 1 60 SER H . . 4.210 3.414 3.073 3.793 . 0 0 "[ . 1 . 2]" 1
676 1 35 LEU HA 1 41 ILE MD . . 3.990 3.814 3.609 3.992 0.002 13 0 "[ . 1 . 2]" 1
677 1 41 ILE HA 1 41 ILE MD . . 3.140 2.205 2.036 2.342 . 0 0 "[ . 1 . 2]" 1
678 1 41 ILE MD 1 60 SER HA . . 3.280 1.997 1.772 2.276 . 0 0 "[ . 1 . 2]" 1
679 1 39 ASP HB3 1 41 ILE MD . . 3.830 3.556 3.189 3.791 . 0 0 "[ . 1 . 2]" 1
680 1 21 VAL MG2 1 40 PHE HA . . 4.030 3.765 3.462 4.030 . 8 0 "[ . 1 . 2]" 1
681 1 20 GLN HA 1 40 PHE HA . . 3.310 2.461 2.278 2.725 . 0 0 "[ . 1 . 2]" 1
682 1 40 PHE HA 1 40 PHE QD . . 3.680 2.386 2.228 2.540 . 0 0 "[ . 1 . 2]" 1
683 1 40 PHE HA 1 41 ILE H . . 2.910 2.395 2.240 2.468 . 0 0 "[ . 1 . 2]" 1
684 1 40 PHE QB 1 61 LEU HB2 . . 3.630 2.530 2.292 2.663 . 0 0 "[ . 1 . 2]" 1
685 1 39 ASP HA 1 40 PHE H . . 3.240 2.504 2.393 2.575 . 0 0 "[ . 1 . 2]" 1
686 1 36 VAL HB 1 39 ASP HB3 . . 3.760 3.374 3.072 3.763 0.003 17 0 "[ . 1 . 2]" 1
687 1 36 VAL MG1 1 39 ASP HB2 . . 3.550 3.084 2.482 3.559 0.009 6 0 "[ . 1 . 2]" 1
688 1 36 VAL HB 1 39 ASP HB2 . . 3.590 2.569 2.383 2.795 . 0 0 "[ . 1 . 2]" 1
689 1 29 ASN HB3 1 29 ASN HD21 . . 3.470 2.948 2.117 3.424 . 0 0 "[ . 1 . 2]" 1
690 1 38 GLY H 1 39 ASP HB2 . . 4.620 4.408 4.108 4.615 . 0 0 "[ . 1 . 2]" 1
691 1 21 VAL MG2 1 37 PRO HA . . 4.730 4.130 3.870 4.465 . 0 0 "[ . 1 . 2]" 1
692 1 36 VAL MG1 1 37 PRO HA . . 5.010 4.044 3.968 4.164 . 0 0 "[ . 1 . 2]" 1
693 1 37 PRO HA 1 38 GLY HA3 . . 4.540 4.401 4.395 4.411 . 0 0 "[ . 1 . 2]" 1
694 1 37 PRO HA 1 39 ASP H . . 3.980 3.649 3.539 3.740 . 0 0 "[ . 1 . 2]" 1
695 1 37 PRO HA 1 38 GLY H . . 2.820 2.193 2.163 2.217 . 0 0 "[ . 1 . 2]" 1
696 1 21 VAL MG1 1 37 PRO HB3 . . 4.130 3.389 3.218 3.764 . 0 0 "[ . 1 . 2]" 1
697 1 37 PRO HB3 1 38 GLY H . . 4.390 4.274 4.172 4.334 . 0 0 "[ . 1 . 2]" 1
698 1 36 VAL HA 1 37 PRO HG2 . . 4.280 4.264 4.203 4.301 0.021 4 0 "[ . 1 . 2]" 1
699 1 36 VAL HA 1 37 PRO HG3 . . 4.370 4.330 4.316 4.343 . 0 0 "[ . 1 . 2]" 1
700 1 36 VAL HA 1 37 PRO HD2 . . 2.760 2.088 2.011 2.135 . 0 0 "[ . 1 . 2]" 1
701 1 26 THR MG 1 27 PRO HD2 . . 3.260 2.593 2.362 2.926 . 0 0 "[ . 1 . 2]" 1
702 1 27 PRO HD2 1 34 GLU HG3 . . 3.720 2.902 2.610 3.254 . 0 0 "[ . 1 . 2]" 1
703 1 26 THR MG 1 27 PRO HD3 . . 4.040 3.876 3.734 4.082 0.042 11 0 "[ . 1 . 2]" 1
704 1 36 VAL MG1 1 37 PRO HD2 . . 3.110 1.942 1.877 2.023 . 0 0 "[ . 1 . 2]" 1
705 1 36 VAL HA 1 36 VAL MG1 . . 2.980 2.424 2.364 2.468 . 0 0 "[ . 1 . 2]" 1
706 1 36 VAL H 1 36 VAL MG1 . . 3.950 3.849 3.806 3.889 . 0 0 "[ . 1 . 2]" 1
707 1 36 VAL MG1 1 39 ASP H . . 4.120 3.848 3.471 4.083 . 0 0 "[ . 1 . 2]" 1
708 1 36 VAL H 1 36 VAL MG2 . . 3.250 2.857 2.743 3.183 . 0 0 "[ . 1 . 2]" 1
709 1 36 VAL HA 1 36 VAL MG2 . . 2.950 2.341 2.226 2.452 . 0 0 "[ . 1 . 2]" 1
710 1 35 LEU HA 1 36 VAL MG2 . . 3.890 3.681 3.480 3.865 . 0 0 "[ . 1 . 2]" 1
711 1 36 VAL MG2 1 37 PRO HD2 . . 3.800 3.458 3.307 3.645 . 0 0 "[ . 1 . 2]" 1
712 1 36 VAL MG2 1 37 PRO HD3 . . 4.440 4.171 4.063 4.272 . 0 0 "[ . 1 . 2]" 1
713 1 35 LEU HA 1 35 LEU HG . . 3.660 3.366 2.926 3.775 0.115 16 0 "[ . 1 . 2]" 1
714 1 35 LEU HB2 1 35 LEU MD1 . . 3.370 2.567 2.087 3.178 . 0 0 "[ . 1 . 2]" 1
715 1 25 TYR HB3 1 35 LEU HB2 . . 3.730 2.017 1.972 2.095 . 0 0 "[ . 1 . 2]" 1
716 1 25 TYR H 1 35 LEU HB2 . . 3.770 2.225 2.047 2.352 . 0 0 "[ . 1 . 2]" 1
717 1 21 VAL MG1 1 35 LEU HB3 . . 3.200 2.142 1.977 2.435 . 0 0 "[ . 1 . 2]" 1
718 1 21 VAL MG2 1 35 LEU HB3 . . 3.750 3.010 2.547 3.453 . 0 0 "[ . 1 . 2]" 1
719 1 25 TYR HB3 1 35 LEU HB3 . . 3.860 3.496 3.391 3.584 . 0 0 "[ . 1 . 2]" 1
720 1 35 LEU HA 1 35 LEU MD2 . . 3.910 2.149 1.901 2.842 . 0 0 "[ . 1 . 2]" 1
721 1 56 ILE HG12 1 71 GLU HA . . 3.650 2.553 2.469 2.680 . 0 0 "[ . 1 . 2]" 1
722 1 25 TYR HB3 1 35 LEU MD2 . . 4.260 3.478 1.927 3.815 . 0 0 "[ . 1 . 2]" 1
723 1 35 LEU HB2 1 35 LEU MD2 . . 3.370 3.039 2.307 3.163 . 0 0 "[ . 1 . 2]" 1
724 1 21 VAL MG2 1 36 VAL H . . 3.780 2.243 2.109 2.364 . 0 0 "[ . 1 . 2]" 1
725 1 21 VAL MG2 1 22 ILE H . . 4.020 3.928 3.801 4.022 0.002 2 0 "[ . 1 . 2]" 1
726 1 21 VAL H 1 21 VAL MG2 . . 2.990 2.148 2.023 2.345 . 0 0 "[ . 1 . 2]" 1
727 1 21 VAL MG2 1 39 ASP H . . 3.840 3.269 2.718 3.664 . 0 0 "[ . 1 . 2]" 1
728 1 21 VAL MG2 1 74 ILE HA . . 4.210 3.908 3.625 4.116 . 0 0 "[ . 1 . 2]" 1
729 1 21 VAL MG2 1 35 LEU HA . . 3.790 3.095 2.740 3.322 . 0 0 "[ . 1 . 2]" 1
730 1 20 GLN HA 1 21 VAL MG2 . . 3.840 3.674 3.578 3.833 . 0 0 "[ . 1 . 2]" 1
731 1 21 VAL MG2 1 73 TYR HB3 . . 5.370 4.646 4.303 4.954 . 0 0 "[ . 1 . 2]" 1
732 1 21 VAL MG2 1 39 ASP HB2 . . 4.230 3.669 2.905 4.191 . 0 0 "[ . 1 . 2]" 1
733 1 21 VAL MG2 1 39 ASP HB3 . . 3.860 3.053 2.468 3.839 . 0 0 "[ . 1 . 2]" 1
734 1 35 LEU H 1 35 LEU MD1 . . 4.510 4.148 3.744 4.351 . 0 0 "[ . 1 . 2]" 1
735 1 35 LEU HA 1 35 LEU MD1 . . 3.910 3.472 1.969 3.939 0.029 11 0 "[ . 1 . 2]" 1
736 1 25 TYR HB3 1 35 LEU MD1 . . 4.260 2.575 1.958 3.998 . 0 0 "[ . 1 . 2]" 1
737 1 35 LEU MD1 1 70 PRO QD . . 4.520 2.374 1.921 3.663 . 0 0 "[ . 1 . 2]" 1
738 1 27 PRO HD3 1 34 GLU HA . . 3.130 2.078 1.998 2.158 . 0 0 "[ . 1 . 2]" 1
739 1 27 PRO HB2 1 33 LEU HA . . 5.030 4.610 4.390 4.823 . 0 0 "[ . 1 . 2]" 1
740 1 33 LEU HA 1 34 GLU H . . 2.790 2.249 2.213 2.307 . 0 0 "[ . 1 . 2]" 1
741 1 33 LEU HB3 1 69 LEU HB3 . . 3.700 3.401 3.018 3.570 . 0 0 "[ . 1 . 2]" 1
742 1 33 LEU H 1 33 LEU HB2 . . 3.490 3.332 3.077 3.429 . 0 0 "[ . 1 . 2]" 1
743 1 33 LEU MD1 1 60 SER H . . 4.060 3.225 2.643 3.582 . 0 0 "[ . 1 . 2]" 1
744 1 33 LEU MD1 1 67 GLY H . . 3.810 3.705 2.793 3.816 0.006 5 0 "[ . 1 . 2]" 1
745 1 33 LEU MD1 1 34 GLU H . . 4.250 2.310 1.958 2.904 . 0 0 "[ . 1 . 2]" 1
746 1 33 LEU HA 1 33 LEU MD1 . . 4.180 2.577 2.439 2.712 . 0 0 "[ . 1 . 2]" 1
747 1 33 LEU MD1 1 59 THR HA . . 4.450 3.997 3.122 4.378 . 0 0 "[ . 1 . 2]" 1
748 1 33 LEU MD1 1 60 SER HB2 . . 3.830 2.759 2.164 3.277 . 0 0 "[ . 1 . 2]" 1
749 1 33 LEU MD1 1 60 SER HB3 . . 3.830 3.409 3.002 3.831 0.001 4 0 "[ . 1 . 2]" 1
750 1 33 LEU MD2 1 66 SER HA . . 3.950 2.939 2.565 3.290 . 0 0 "[ . 1 . 2]" 1
751 1 33 LEU MD2 1 59 THR HA . . 4.450 2.961 2.768 3.247 . 0 0 "[ . 1 . 2]" 1
752 1 33 LEU HA 1 33 LEU MD2 . . 4.180 4.003 3.928 4.022 . 0 0 "[ . 1 . 2]" 1
753 1 32 GLU HA 1 68 LEU MD1 . . 5.280 4.113 3.860 4.280 . 0 0 "[ . 1 . 2]" 1
754 1 32 GLU HA 1 69 LEU MD2 . . 5.430 4.263 4.036 4.424 . 0 0 "[ . 1 . 2]" 1
755 1 32 GLU HA 1 68 LEU H . . 2.910 1.900 1.889 1.922 . 0 0 "[ . 1 . 2]" 1
756 1 32 GLU H 1 32 GLU HB2 . . 3.830 3.683 3.630 3.712 . 0 0 "[ . 1 . 2]" 1
757 1 32 GLU H 1 32 GLU HB3 . . 4.080 2.987 2.886 3.075 . 0 0 "[ . 1 . 2]" 1
758 1 29 ASN H 1 32 GLU HG2 . . 4.190 2.924 2.713 3.130 . 0 0 "[ . 1 . 2]" 1
759 1 32 GLU HA 1 32 GLU HG2 . . 4.200 3.634 3.617 3.657 . 0 0 "[ . 1 . 2]" 1
760 1 29 ASN H 1 32 GLU HG3 . . 4.050 3.434 3.165 3.735 . 0 0 "[ . 1 . 2]" 1
761 1 31 ASP H 1 31 ASP HB2 . . 3.790 2.928 2.365 3.533 . 0 0 "[ . 1 . 2]" 1
762 1 31 ASP HB3 1 68 LEU MD1 . . 4.220 3.689 3.486 4.223 0.003 4 0 "[ . 1 . 2]" 1
763 1 31 ASP H 1 31 ASP HB3 . . 3.790 3.261 2.387 3.515 . 0 0 "[ . 1 . 2]" 1
764 1 30 ASP HA 1 32 GLU H . . 4.010 3.926 3.794 4.019 0.009 6 0 "[ . 1 . 2]" 1
765 1 28 GLN HA 1 28 GLN HG3 . . 3.880 3.861 3.819 3.880 0.000 10 0 "[ . 1 . 2]" 1
766 1 28 GLN H 1 28 GLN HB3 . . 3.860 3.802 3.741 3.821 . 0 0 "[ . 1 . 2]" 1
767 1 28 GLN HA 1 28 GLN HG2 . . 3.430 2.911 2.862 2.993 . 0 0 "[ . 1 . 2]" 1
768 1 28 GLN H 1 28 GLN HG2 . . 3.880 2.705 2.620 2.791 . 0 0 "[ . 1 . 2]" 1
769 1 28 GLN H 1 28 GLN HG3 . . 3.850 3.817 3.737 3.855 0.005 9 0 "[ . 1 . 2]" 1
770 1 27 PRO HA 1 28 GLN H . . 2.900 2.422 2.369 2.448 . 0 0 "[ . 1 . 2]" 1
771 1 27 PRO HA 1 29 ASN H . . 3.990 3.986 3.943 4.006 0.016 9 0 "[ . 1 . 2]" 1
772 1 27 PRO HB3 1 28 GLN H . . 3.980 3.428 3.395 3.497 . 0 0 "[ . 1 . 2]" 1
773 1 27 PRO HB3 1 29 ASN H . . 4.200 4.079 4.010 4.171 . 0 0 "[ . 1 . 2]" 1
774 1 27 PRO HG3 1 34 GLU HA . . 3.520 2.635 2.476 2.851 . 0 0 "[ . 1 . 2]" 1
775 1 27 PRO HG3 1 34 GLU H . . 4.120 2.971 2.843 3.029 . 0 0 "[ . 1 . 2]" 1
776 1 27 PRO HG2 1 34 GLU H . . 4.700 4.581 4.418 4.708 0.008 13 0 "[ . 1 . 2]" 1
777 1 27 PRO HG2 1 34 GLU HA . . 4.610 4.100 3.948 4.306 . 0 0 "[ . 1 . 2]" 1
778 1 36 VAL MG1 1 37 PRO HD3 . . 3.540 3.301 3.207 3.447 . 0 0 "[ . 1 . 2]" 1
779 1 36 VAL HA 1 37 PRO HD3 . . 2.940 2.265 2.255 2.298 . 0 0 "[ . 1 . 2]" 1
780 1 24 PRO QB 1 37 PRO HD3 . . 3.300 2.222 1.987 2.480 . 0 0 "[ . 1 . 2]" 1
781 1 25 TYR HB2 1 35 LEU HG . . 4.070 3.473 2.839 3.815 . 0 0 "[ . 1 . 2]" 1
782 1 25 TYR HB2 1 35 LEU HB2 . . 3.770 3.221 2.735 3.450 . 0 0 "[ . 1 . 2]" 1
783 1 25 TYR HB2 1 73 TYR QD . . 3.740 2.374 2.197 2.604 . 0 0 "[ . 1 . 2]" 1
784 1 21 VAL MG1 1 24 PRO HA . . 3.820 3.281 3.146 3.454 . 0 0 "[ . 1 . 2]" 1
785 1 24 PRO HA 1 37 PRO HD3 . . 3.420 2.942 2.754 3.121 . 0 0 "[ . 1 . 2]" 1
786 1 24 PRO HA 1 25 TYR H . . 2.930 2.294 2.230 2.451 . 0 0 "[ . 1 . 2]" 1
787 1 24 PRO QD 1 37 PRO HG3 . . 3.570 3.096 2.985 3.197 . 0 0 "[ . 1 . 2]" 1
788 1 23 TYR HA 1 24 PRO QD . . 2.810 2.009 1.993 2.030 . 0 0 "[ . 1 . 2]" 1
789 1 23 TYR HB2 1 24 PRO QD . . 3.740 3.647 3.584 3.693 . 0 0 "[ . 1 . 2]" 1
790 1 23 TYR H 1 23 TYR HB2 . . 3.610 2.980 2.838 3.047 . 0 0 "[ . 1 . 2]" 1
791 1 23 TYR HB3 1 24 PRO QD . . 3.270 2.279 2.188 2.351 . 0 0 "[ . 1 . 2]" 1
792 1 22 ILE HA 1 22 ILE MD . . 4.250 4.165 4.155 4.173 . 0 0 "[ . 1 . 2]" 1
793 1 22 ILE HB 1 22 ILE MD . . 3.220 2.397 2.320 2.438 . 0 0 "[ . 1 . 2]" 1
794 1 22 ILE H 1 22 ILE HB . . 3.780 3.585 3.541 3.655 . 0 0 "[ . 1 . 2]" 1
795 1 22 ILE HG12 1 22 ILE MG . . 3.590 2.237 2.169 2.297 . 0 0 "[ . 1 . 2]" 1
796 1 22 ILE HG12 1 75 THR MG . . 3.950 3.807 3.395 3.952 0.002 13 0 "[ . 1 . 2]" 1
797 1 22 ILE HG13 1 22 ILE MG . . 3.520 3.190 3.178 3.199 . 0 0 "[ . 1 . 2]" 1
798 1 22 ILE HG13 1 74 ILE HA . . 4.140 3.355 3.205 3.681 . 0 0 "[ . 1 . 2]" 1
799 1 22 ILE HG13 1 23 TYR H . . 3.990 2.630 2.353 2.841 . 0 0 "[ . 1 . 2]" 1
800 1 22 ILE H 1 22 ILE HG13 . . 3.670 2.215 2.110 2.353 . 0 0 "[ . 1 . 2]" 1
801 1 22 ILE H 1 22 ILE MG . . 3.600 3.235 3.096 3.348 . 0 0 "[ . 1 . 2]" 1
802 1 22 ILE MG 1 23 TYR H . . 4.430 4.309 4.220 4.361 . 0 0 "[ . 1 . 2]" 1
803 1 22 ILE MG 1 23 TYR QD . . 4.200 4.143 4.072 4.196 . 0 0 "[ . 1 . 2]" 1
804 1 22 ILE MG 1 23 TYR QE . . 3.880 3.670 3.541 3.832 . 0 0 "[ . 1 . 2]" 1
805 1 22 ILE MG 1 74 ILE HA . . 3.960 3.633 3.366 3.772 . 0 0 "[ . 1 . 2]" 1
806 1 22 ILE HA 1 22 ILE MG . . 2.950 2.066 2.018 2.139 . 0 0 "[ . 1 . 2]" 1
807 1 22 ILE MG 1 75 THR HB . . 3.590 2.360 2.247 2.500 . 0 0 "[ . 1 . 2]" 1
808 1 21 VAL HA 1 21 VAL MG2 . . 3.160 2.328 2.232 2.395 . 0 0 "[ . 1 . 2]" 1
809 1 21 VAL HA 1 74 ILE HA . . 3.170 2.233 2.084 2.429 . 0 0 "[ . 1 . 2]" 1
810 1 21 VAL HA 1 22 ILE H . . 2.880 2.175 2.149 2.230 . 0 0 "[ . 1 . 2]" 1
811 1 21 VAL MG1 1 38 GLY H . . 3.670 3.437 3.241 3.609 . 0 0 "[ . 1 . 2]" 1
812 1 21 VAL MG1 1 22 ILE H . . 3.460 2.279 1.969 2.530 . 0 0 "[ . 1 . 2]" 1
813 1 21 VAL MG1 1 23 TYR HA . . 4.180 3.631 3.544 3.715 . 0 0 "[ . 1 . 2]" 1
814 1 21 VAL MG1 1 35 LEU HA . . 4.460 3.558 3.193 3.774 . 0 0 "[ . 1 . 2]" 1
815 1 21 VAL HA 1 21 VAL MG1 . . 3.220 2.359 2.240 2.435 . 0 0 "[ . 1 . 2]" 1
816 1 21 VAL MG1 1 37 PRO HA . . 2.940 2.186 1.985 2.559 . 0 0 "[ . 1 . 2]" 1
817 1 21 VAL MG1 1 36 VAL H . . 3.980 2.892 2.601 3.152 . 0 0 "[ . 1 . 2]" 1
818 1 21 VAL MG1 1 39 ASP H . . 4.130 4.006 3.798 4.121 . 0 0 "[ . 1 . 2]" 1
819 1 21 VAL MG1 1 22 ILE HA . . 4.100 3.736 3.540 3.880 . 0 0 "[ . 1 . 2]" 1
820 1 20 GLN HB2 1 77 ALA MB . . 4.500 4.300 4.038 4.433 . 0 0 "[ . 1 . 2]" 1
821 1 20 GLN HB3 1 75 THR MG . . 3.770 2.244 2.088 2.434 . 0 0 "[ . 1 . 2]" 1
822 1 20 GLN HA 1 20 GLN HG3 . . 4.000 3.218 2.589 3.645 . 0 0 "[ . 1 . 2]" 1
823 1 20 GLN HG3 1 21 VAL H . . 4.640 4.106 3.614 4.540 . 0 0 "[ . 1 . 2]" 1
824 1 20 GLN HA 1 20 GLN HG2 . . 3.760 2.459 2.282 2.679 . 0 0 "[ . 1 . 2]" 1
825 1 19 LEU HA 1 20 GLN H . . 3.080 2.282 2.270 2.320 . 0 0 "[ . 1 . 2]" 1
826 1 19 LEU HB3 1 19 LEU MD1 . . 3.090 2.492 2.441 2.568 . 0 0 "[ . 1 . 2]" 1
827 1 19 LEU H 1 19 LEU HB3 . . 3.880 3.853 3.814 3.891 0.011 6 0 "[ . 1 . 2]" 1
828 1 19 LEU HB2 1 19 LEU MD1 . . 3.180 2.142 2.110 2.198 . 0 0 "[ . 1 . 2]" 1
829 1 19 LEU HB2 1 74 ILE HB . . 3.620 2.790 2.666 2.890 . 0 0 "[ . 1 . 2]" 1
830 1 19 LEU HA 1 19 LEU MD1 . . 4.190 3.973 3.958 3.997 . 0 0 "[ . 1 . 2]" 1
831 1 19 LEU MD1 1 76 LYS HA . . 4.670 4.379 4.092 4.654 . 0 0 "[ . 1 . 2]" 1
832 1 19 LEU H 1 19 LEU MD2 . . 3.850 3.650 3.530 3.749 . 0 0 "[ . 1 . 2]" 1
833 1 19 LEU MD2 1 20 GLN H . . 4.030 3.868 3.744 3.925 . 0 0 "[ . 1 . 2]" 1
834 1 19 LEU MD2 1 77 ALA H . . 3.610 2.841 2.409 3.277 . 0 0 "[ . 1 . 2]" 1
835 1 19 LEU HA 1 19 LEU MD2 . . 2.970 2.235 2.114 2.343 . 0 0 "[ . 1 . 2]" 1
836 1 19 LEU MD2 1 76 LYS HA . . 2.960 1.938 1.850 2.007 . 0 0 "[ . 1 . 2]" 1
837 1 18 THR HA 1 19 LEU H . . 3.230 2.165 2.144 2.197 . 0 0 "[ . 1 . 2]" 1
838 1 18 THR HB 1 77 ALA MB . . 3.460 2.140 1.902 2.567 . 0 0 "[ . 1 . 2]" 1
839 1 18 THR H 1 18 THR HB . . 3.280 2.864 2.665 3.008 . 0 0 "[ . 1 . 2]" 1
840 1 18 THR MG 1 19 LEU H . . 3.360 2.573 2.405 2.766 . 0 0 "[ . 1 . 2]" 1
841 1 18 THR MG 1 40 PHE QD . . 3.090 2.288 2.136 2.518 . 0 0 "[ . 1 . 2]" 1
842 1 18 THR MG 1 42 PHE QD . . 3.820 3.282 2.837 3.757 . 0 0 "[ . 1 . 2]" 1
843 1 18 THR HA 1 18 THR MG . . 3.130 2.237 2.105 2.329 . 0 0 "[ . 1 . 2]" 1
844 1 13 PHE HA 1 13 PHE QD . . 3.330 2.903 2.487 3.172 . 0 0 "[ . 1 . 2]" 1
845 1 13 PHE HB2 1 14 ALA H . . 4.640 3.889 2.466 4.321 . 0 0 "[ . 1 . 2]" 1
846 1 13 PHE HB3 1 14 ALA H . . 4.640 4.291 3.040 4.547 . 0 0 "[ . 1 . 2]" 1
847 1 12 ARG HA 1 12 ARG QG . . 3.620 2.443 2.142 3.431 . 0 0 "[ . 1 . 2]" 1
848 1 11 ILE HA 1 11 ILE MG . . 2.930 2.383 2.261 2.456 . 0 0 "[ . 1 . 2]" 1
849 1 11 ILE HA 1 11 ILE HG12 . . 3.590 3.036 2.474 3.589 . 0 0 "[ . 1 . 2]" 1
850 1 11 ILE HA 1 11 ILE HG13 . . 3.590 2.818 2.297 3.611 0.021 14 0 "[ . 1 . 2]" 1
851 1 11 ILE HA 1 12 ARG H . . 3.540 2.494 2.140 3.559 0.019 6 0 "[ . 1 . 2]" 1
852 1 11 ILE H 1 11 ILE HG13 . . 4.060 2.788 2.088 3.978 . 0 0 "[ . 1 . 2]" 1
853 1 11 ILE H 1 11 ILE MG . . 4.050 3.781 3.748 3.820 . 0 0 "[ . 1 . 2]" 1
854 1 11 ILE HA 1 11 ILE MD . . 3.930 3.418 1.905 3.941 0.011 13 0 "[ . 1 . 2]" 1
855 1 10 ASP HA 1 11 ILE H . . 2.930 2.281 2.143 2.642 . 0 0 "[ . 1 . 2]" 1
856 1 9 ARG HA 1 9 ARG QG . . 3.280 2.528 2.151 3.378 0.098 6 0 "[ . 1 . 2]" 1
857 1 9 ARG HA 1 10 ASP H . . 3.490 2.611 2.139 3.512 0.022 9 0 "[ . 1 . 2]" 1
858 1 85 PHE HA 1 85 PHE QD . . 3.540 3.051 2.001 3.606 0.066 17 0 "[ . 1 . 2]" 1
859 1 22 ILE MD 1 23 TYR QE . . 3.580 2.259 2.068 2.508 . 0 0 "[ . 1 . 2]" 1
860 1 22 ILE HG12 1 23 TYR QE . . 4.980 4.674 4.527 4.883 . 0 0 "[ . 1 . 2]" 1
861 1 22 ILE HG13 1 23 TYR QE . . 4.290 3.706 3.518 3.947 . 0 0 "[ . 1 . 2]" 1
862 1 22 ILE HB 1 23 TYR QE . . 4.200 2.654 2.534 2.870 . 0 0 "[ . 1 . 2]" 1
863 1 23 TYR QE 1 24 PRO QD . . 5.040 4.975 4.860 5.032 . 0 0 "[ . 1 . 2]" 1
864 1 23 TYR QE 1 73 TYR HA . . 4.990 4.719 4.527 4.924 . 0 0 "[ . 1 . 2]" 1
865 1 23 TYR HA 1 23 TYR QE . . 4.850 4.660 4.624 4.692 . 0 0 "[ . 1 . 2]" 1
866 1 22 ILE HG12 1 23 TYR QD . . 4.390 3.834 3.725 3.983 . 0 0 "[ . 1 . 2]" 1
867 1 22 ILE HG13 1 23 TYR QD . . 3.860 2.200 2.031 2.392 . 0 0 "[ . 1 . 2]" 1
868 1 22 ILE HB 1 23 TYR QD . . 3.910 2.797 2.686 2.921 . 0 0 "[ . 1 . 2]" 1
869 1 23 TYR QD 1 24 PRO QD . . 3.420 2.931 2.806 2.990 . 0 0 "[ . 1 . 2]" 1
870 1 23 TYR QD 1 73 TYR HA . . 3.110 2.653 2.472 2.836 . 0 0 "[ . 1 . 2]" 1
871 1 23 TYR HA 1 23 TYR QD . . 3.240 2.824 2.779 2.899 . 0 0 "[ . 1 . 2]" 1
872 1 70 PRO HB2 1 73 TYR QE . . 3.670 3.065 2.960 3.190 . 0 0 "[ . 1 . 2]" 1
873 1 25 TYR HB2 1 73 TYR QE . . 3.380 2.564 2.267 2.980 . 0 0 "[ . 1 . 2]" 1
874 1 72 ASN QB 1 73 TYR QE . . 3.860 3.117 2.971 3.230 . 0 0 "[ . 1 . 2]" 1
875 1 25 TYR QE 1 70 PRO HG3 . . 4.580 3.982 3.668 4.235 . 0 0 "[ . 1 . 2]" 1
876 1 25 TYR QD 1 35 LEU MD1 . . 4.150 3.468 2.601 4.229 0.079 13 0 "[ . 1 . 2]" 1
877 1 25 TYR QD 1 35 LEU MD2 . . 4.150 3.375 1.751 4.106 . 0 0 "[ . 1 . 2]" 1
878 1 25 TYR QD 1 35 LEU HB2 . . 3.950 3.714 3.381 3.966 0.016 18 0 "[ . 1 . 2]" 1
879 1 25 TYR QD 1 34 GLU HA . . 3.790 3.101 2.683 3.568 . 0 0 "[ . 1 . 2]" 1
880 1 73 TYR H 1 73 TYR QE . . 5.160 5.165 5.147 5.180 0.020 18 0 "[ . 1 . 2]" 1
881 1 19 LEU HA 1 19 LEU HG . . 3.860 3.253 3.196 3.311 . 0 0 "[ . 1 . 2]" 1
882 1 35 LEU H 1 35 LEU HG . . 4.590 3.199 2.763 4.468 . 0 0 "[ . 1 . 2]" 1
883 1 25 TYR QD 1 35 LEU HG . . 4.810 2.551 2.147 3.970 . 0 0 "[ . 1 . 2]" 1
884 1 25 TYR HB3 1 35 LEU HG . . 3.660 2.113 1.995 2.710 . 0 0 "[ . 1 . 2]" 1
885 1 33 LEU MD1 1 66 SER HA . . 3.950 3.209 2.259 3.564 . 0 0 "[ . 1 . 2]" 1
886 1 59 THR HA 1 66 SER HA . . 3.090 2.094 1.990 2.251 . 0 0 "[ . 1 . 2]" 1
887 1 69 LEU H 1 69 LEU HG . . 3.220 2.593 2.499 2.716 . 0 0 "[ . 1 . 2]" 1
888 1 56 ILE HG12 1 69 LEU HG . . 3.870 3.724 3.625 3.837 . 0 0 "[ . 1 . 2]" 1
889 1 69 LEU HA 1 69 LEU MD1 . . 4.140 4.123 4.116 4.133 . 0 0 "[ . 1 . 2]" 1
890 1 69 LEU MD1 1 70 PRO QD . . 3.940 3.659 3.595 3.739 . 0 0 "[ . 1 . 2]" 1
891 1 69 LEU H 1 69 LEU MD2 . . 3.430 2.266 2.066 2.520 . 0 0 "[ . 1 . 2]" 1
892 1 57 TYR HA 1 69 LEU MD2 . . 3.860 2.858 2.686 2.996 . 0 0 "[ . 1 . 2]" 1
893 1 69 LEU HA 1 69 LEU MD2 . . 3.750 3.338 3.262 3.419 . 0 0 "[ . 1 . 2]" 1
894 1 58 GLY HA2 1 69 LEU MD2 . . 4.580 4.040 3.567 4.519 . 0 0 "[ . 1 . 2]" 1
895 1 69 LEU MD2 1 70 PRO QD . . 4.450 4.271 4.240 4.303 . 0 0 "[ . 1 . 2]" 1
896 1 84 ILE H 1 84 ILE MD . . 4.430 4.210 3.937 4.355 . 0 0 "[ . 1 . 2]" 1
897 1 84 ILE HB 1 84 ILE MD . . 3.330 2.928 2.368 3.223 . 0 0 "[ . 1 . 2]" 1
898 1 84 ILE MG 1 86 HIS HE1 . . 4.520 3.430 2.118 4.204 . 0 0 "[ . 1 . 2]" 1
899 1 84 ILE HA 1 86 HIS HE1 . . 5.160 4.357 3.482 4.971 . 0 0 "[ . 1 . 2]" 1
900 1 86 HIS HA 1 86 HIS HE1 . . 5.410 5.154 4.835 5.408 . 0 0 "[ . 1 . 2]" 1
901 1 55 TRP HZ3 1 68 LEU HB3 . . 4.590 4.465 4.356 4.578 . 0 0 "[ . 1 . 2]" 1
902 1 32 GLU HB3 1 55 TRP HZ3 . . 4.080 3.541 3.346 3.727 . 0 0 "[ . 1 . 2]" 1
903 1 55 TRP HZ3 1 70 PRO QD . . 3.530 2.268 2.119 2.377 . 0 0 "[ . 1 . 2]" 1
904 1 55 TRP HB3 1 55 TRP HZ3 . . 4.970 4.883 4.861 4.900 . 0 0 "[ . 1 . 2]" 1
905 1 55 TRP HZ3 1 69 LEU HA . . 3.750 2.840 2.649 2.941 . 0 0 "[ . 1 . 2]" 1
906 1 25 TYR QE 1 55 TRP HZ3 . . 4.520 3.478 3.220 3.654 . 0 0 "[ . 1 . 2]" 1
907 1 55 TRP HZ3 1 69 LEU H . . 5.130 4.951 4.773 5.056 . 0 0 "[ . 1 . 2]" 1
908 1 55 TRP HH2 1 70 PRO HG3 . . 5.080 5.013 4.821 5.088 0.008 18 0 "[ . 1 . 2]" 1
909 1 55 TRP HH2 1 70 PRO HB3 . . 4.930 4.610 4.447 4.706 . 0 0 "[ . 1 . 2]" 1
910 1 32 GLU HB3 1 55 TRP HH2 . . 4.760 4.647 4.477 4.763 0.003 19 0 "[ . 1 . 2]" 1
911 1 13 PHE HA 1 13 PHE QE . . 5.020 4.732 4.325 4.942 . 0 0 "[ . 1 . 2]" 1
912 1 40 PHE QD 1 77 ALA MB . . 3.870 3.694 3.294 3.868 . 0 0 "[ . 1 . 2]" 1
913 1 20 GLN HB2 1 40 PHE QD . . 3.800 3.322 3.091 3.498 . 0 0 "[ . 1 . 2]" 1
914 1 20 GLN HG3 1 40 PHE QD . . 5.090 4.324 3.348 4.892 . 0 0 "[ . 1 . 2]" 1
915 1 20 GLN HA 1 40 PHE QD . . 4.040 2.876 2.698 3.046 . 0 0 "[ . 1 . 2]" 1
916 1 40 PHE QE 1 61 LEU MD2 . . 4.430 4.165 3.777 4.368 . 0 0 "[ . 1 . 2]" 1
917 1 18 THR MG 1 40 PHE QE . . 4.110 3.223 2.758 3.585 . 0 0 "[ . 1 . 2]" 1
918 1 20 GLN HB2 1 40 PHE QE . . 3.890 2.378 2.176 2.585 . 0 0 "[ . 1 . 2]" 1
919 1 20 GLN HG3 1 40 PHE QE . . 4.450 3.584 2.980 4.138 . 0 0 "[ . 1 . 2]" 1
920 1 20 GLN HA 1 40 PHE QE . . 4.990 3.825 3.723 3.947 . 0 0 "[ . 1 . 2]" 1
921 1 40 PHE HA 1 40 PHE QE . . 5.240 4.303 4.232 4.368 . 0 0 "[ . 1 . 2]" 1
922 1 11 ILE MD 1 42 PHE QD . . 4.140 3.326 2.481 3.976 . 0 0 "[ . 1 . 2]" 1
923 1 16 HIS HB2 1 42 PHE QD . . 4.480 4.309 3.586 4.487 0.007 18 0 "[ . 1 . 2]" 1
924 1 42 PHE QD 1 61 LEU HA . . 4.450 4.422 4.285 4.456 0.006 4 0 "[ . 1 . 2]" 1
925 1 41 ILE HA 1 42 PHE QD . . 4.880 4.597 3.920 4.807 . 0 0 "[ . 1 . 2]" 1
926 1 18 THR HA 1 42 PHE QD . . 4.340 3.102 2.734 3.610 . 0 0 "[ . 1 . 2]" 1
927 1 18 THR MG 1 42 PHE QE . . 3.750 2.791 2.322 3.231 . 0 0 "[ . 1 . 2]" 1
928 1 42 PHE QE 1 61 LEU HB2 . . 4.180 4.123 3.575 4.191 0.011 4 0 "[ . 1 . 2]" 1
929 1 42 PHE QE 1 61 LEU HB3 . . 5.470 5.369 4.995 5.458 . 0 0 "[ . 1 . 2]" 1
930 1 42 PHE QE 1 61 LEU HA . . 4.020 3.879 3.591 4.022 0.002 6 0 "[ . 1 . 2]" 1
931 1 42 PHE HA 1 42 PHE QE . . 4.590 4.314 4.238 4.522 . 0 0 "[ . 1 . 2]" 1
932 1 16 HIS HD2 1 42 PHE HB2 . . 4.180 4.013 3.814 4.183 0.003 6 0 "[ . 1 . 2]" 1
933 1 16 HIS HD2 1 42 PHE HB3 . . 3.770 2.787 2.537 3.102 . 0 0 "[ . 1 . 2]" 1
934 1 16 HIS HA 1 16 HIS HD2 . . 4.550 3.928 3.388 4.255 . 0 0 "[ . 1 . 2]" 1
935 1 16 HIS HD2 1 44 SER HA . . 4.570 4.245 3.819 4.571 0.001 15 0 "[ . 1 . 2]" 1
936 1 16 HIS HD2 1 42 PHE HA . . 5.110 4.781 2.763 5.106 . 0 0 "[ . 1 . 2]" 1
937 1 16 HIS HD2 1 43 MET H . . 4.900 4.674 2.340 4.905 0.005 5 0 "[ . 1 . 2]" 1
938 1 84 ILE MG 1 85 PHE HA . . 4.330 3.164 2.767 3.832 . 0 0 "[ . 1 . 2]" 1
939 1 84 ILE HB 1 85 PHE H . . 4.530 2.628 2.113 4.504 . 0 0 "[ . 1 . 2]" 1
940 1 83 TRP HD1 1 84 ILE HA . . 5.500 5.196 4.997 5.412 . 0 0 "[ . 1 . 2]" 1
941 1 83 TRP HD1 1 84 ILE MG . . 5.500 5.190 4.961 5.501 0.001 17 0 "[ . 1 . 2]" 1
942 1 82 THR HA 1 83 TRP HA . . 4.700 4.359 4.299 4.484 . 0 0 "[ . 1 . 2]" 1
943 1 82 THR HA 1 84 ILE H . . 4.670 4.258 3.813 4.660 . 0 0 "[ . 1 . 2]" 1
944 1 82 THR HB 1 83 TRP QB . . 5.500 4.944 4.436 5.458 . 0 0 "[ . 1 . 2]" 1
945 1 82 THR HB 1 83 TRP HD1 . . 4.650 3.622 3.226 4.502 . 0 0 "[ . 1 . 2]" 1
946 1 80 CYS QB 1 81 SER HA . . 4.600 4.297 3.811 4.557 . 0 0 "[ . 1 . 2]" 1
947 1 77 ALA HA 1 78 ASP QB . . 4.950 4.444 4.135 4.773 . 0 0 "[ . 1 . 2]" 1
948 1 75 THR MG 1 77 ALA HA . . 4.320 4.052 3.951 4.204 . 0 0 "[ . 1 . 2]" 1
949 1 19 LEU HA 1 77 ALA HA . . 4.680 3.660 3.225 4.198 . 0 0 "[ . 1 . 2]" 1
950 1 19 LEU H 1 77 ALA MB . . 4.790 4.165 3.832 4.557 . 0 0 "[ . 1 . 2]" 1
951 1 19 LEU MD2 1 76 LYS HB2 . . 4.540 4.298 4.153 4.426 . 0 0 "[ . 1 . 2]" 1
952 1 76 LYS HB2 1 76 LYS QE . . 4.640 3.540 2.179 4.264 . 0 0 "[ . 1 . 2]" 1
953 1 75 THR HA 1 76 LYS HB2 . . 4.870 4.582 4.472 4.731 . 0 0 "[ . 1 . 2]" 1
954 1 76 LYS HB2 1 77 ALA H . . 4.190 4.130 4.024 4.204 0.014 9 0 "[ . 1 . 2]" 1
955 1 19 LEU MD2 1 76 LYS HB3 . . 4.230 4.006 3.784 4.157 . 0 0 "[ . 1 . 2]" 1
956 1 76 LYS HB3 1 76 LYS QE . . 4.400 3.265 1.989 4.252 . 0 0 "[ . 1 . 2]" 1
957 1 19 LEU HA 1 76 LYS HB3 . . 5.500 5.260 5.168 5.388 . 0 0 "[ . 1 . 2]" 1
958 1 76 LYS H 1 76 LYS HG2 . . 4.320 3.501 2.819 4.167 . 0 0 "[ . 1 . 2]" 1
959 1 76 LYS QD 1 77 ALA H . . 5.230 4.152 2.638 5.228 . 0 0 "[ . 1 . 2]" 1
960 1 76 LYS H 1 76 LYS QD . . 4.690 3.432 1.906 4.575 . 0 0 "[ . 1 . 2]" 1
961 1 19 LEU HA 1 76 LYS QE . . 5.500 5.026 3.825 5.507 0.007 14 0 "[ . 1 . 2]" 1
962 1 22 ILE HB 1 75 THR HB . . 4.910 4.909 4.869 4.919 0.009 18 0 "[ . 1 . 2]" 1
963 1 19 LEU HB3 1 75 THR HB . . 5.500 5.510 5.500 5.549 0.049 17 0 "[ . 1 . 2]" 1
964 1 20 GLN HB3 1 75 THR HB . . 5.100 4.741 4.437 5.077 . 0 0 "[ . 1 . 2]" 1
965 1 74 ILE HA 1 75 THR HB . . 4.760 4.143 4.066 4.241 . 0 0 "[ . 1 . 2]" 1
966 1 40 PHE QD 1 75 THR MG . . 5.500 5.478 5.333 5.503 0.003 17 0 "[ . 1 . 2]" 1
967 1 19 LEU HA 1 75 THR MG . . 4.670 3.955 3.801 4.109 . 0 0 "[ . 1 . 2]" 1
968 1 20 GLN HA 1 75 THR MG . . 4.500 4.190 4.061 4.334 . 0 0 "[ . 1 . 2]" 1
969 1 75 THR MG 1 76 LYS HA . . 4.330 4.186 4.054 4.335 0.005 8 0 "[ . 1 . 2]" 1
970 1 20 GLN H 1 74 ILE HA . . 5.090 4.752 4.639 4.875 . 0 0 "[ . 1 . 2]" 1
971 1 73 TYR HB3 1 74 ILE HA . . 4.840 4.645 4.609 4.681 . 0 0 "[ . 1 . 2]" 1
972 1 21 VAL HA 1 74 ILE HB . . 4.230 3.718 3.485 3.947 . 0 0 "[ . 1 . 2]" 1
973 1 19 LEU HA 1 74 ILE HB . . 4.950 4.563 4.430 4.732 . 0 0 "[ . 1 . 2]" 1
974 1 20 GLN H 1 74 ILE HB . . 4.260 3.829 3.704 3.996 . 0 0 "[ . 1 . 2]" 1
975 1 20 GLN H 1 74 ILE MG . . 4.940 4.633 4.489 4.729 . 0 0 "[ . 1 . 2]" 1
976 1 21 VAL H 1 74 ILE MG . . 4.170 3.713 3.522 3.922 . 0 0 "[ . 1 . 2]" 1
977 1 19 LEU H 1 74 ILE MD . . 5.500 5.451 5.325 5.506 0.006 6 0 "[ . 1 . 2]" 1
978 1 20 GLN H 1 74 ILE MD . . 4.640 4.404 4.247 4.601 . 0 0 "[ . 1 . 2]" 1
979 1 74 ILE MD 1 76 LYS H . . 4.480 4.251 4.082 4.475 . 0 0 "[ . 1 . 2]" 1
980 1 71 GLU H 1 74 ILE MD . . 5.300 5.272 5.166 5.303 0.003 20 0 "[ . 1 . 2]" 1
981 1 73 TYR H 1 74 ILE MD . . 4.350 4.095 3.967 4.186 . 0 0 "[ . 1 . 2]" 1
982 1 70 PRO HB2 1 73 TYR HB2 . . 4.990 3.563 3.473 3.647 . 0 0 "[ . 1 . 2]" 1
983 1 23 TYR HB2 1 73 TYR HB2 . . 5.070 4.953 4.834 5.063 . 0 0 "[ . 1 . 2]" 1
984 1 70 PRO QD 1 73 TYR HB2 . . 4.690 3.350 3.282 3.398 . 0 0 "[ . 1 . 2]" 1
985 1 23 TYR HB2 1 73 TYR HB3 . . 4.340 3.673 3.532 3.755 . 0 0 "[ . 1 . 2]" 1
986 1 25 TYR HB3 1 73 TYR HB3 . . 5.060 4.366 4.149 4.734 . 0 0 "[ . 1 . 2]" 1
987 1 70 PRO QD 1 73 TYR HB3 . . 5.450 4.346 4.285 4.392 . 0 0 "[ . 1 . 2]" 1
988 1 23 TYR H 1 73 TYR QD . . 4.790 4.196 4.068 4.359 . 0 0 "[ . 1 . 2]" 1
989 1 73 TYR QD 1 74 ILE H . . 5.140 4.444 4.428 4.474 . 0 0 "[ . 1 . 2]" 1
990 1 72 ASN H 1 73 TYR QE . . 5.500 4.630 4.533 4.715 . 0 0 "[ . 1 . 2]" 1
991 1 71 GLU HA 1 72 ASN QB . . 5.390 5.218 5.066 5.335 . 0 0 "[ . 1 . 2]" 1
992 1 71 GLU HA 1 72 ASN HA . . 4.860 4.631 4.600 4.658 . 0 0 "[ . 1 . 2]" 1
993 1 56 ILE HG13 1 71 GLU HA . . 4.120 3.683 3.487 3.811 . 0 0 "[ . 1 . 2]" 1
994 1 71 GLU HA 1 71 GLU HG2 . . 4.000 3.870 3.846 3.914 . 0 0 "[ . 1 . 2]" 1
995 1 56 ILE HG12 1 71 GLU HB2 . . 4.480 3.377 3.194 3.451 . 0 0 "[ . 1 . 2]" 1
996 1 56 ILE HG13 1 71 GLU HB2 . . 5.090 5.037 4.818 5.098 0.008 8 0 "[ . 1 . 2]" 1
997 1 55 TRP HA 1 71 GLU HB2 . . 5.450 5.439 5.384 5.462 0.012 1 0 "[ . 1 . 2]" 1
998 1 71 GLU HB2 1 72 ASN H . . 4.680 4.345 4.303 4.424 . 0 0 "[ . 1 . 2]" 1
999 1 56 ILE HG12 1 71 GLU HB3 . . 4.690 2.536 2.285 2.760 . 0 0 "[ . 1 . 2]" 1
1000 1 55 TRP HA 1 71 GLU HB3 . . 4.740 3.747 3.703 3.786 . 0 0 "[ . 1 . 2]" 1
1001 1 71 GLU HG2 1 72 ASN H . . 4.300 3.209 3.015 3.387 . 0 0 "[ . 1 . 2]" 1
1002 1 56 ILE HG12 1 70 PRO HA . . 4.840 4.244 4.099 4.356 . 0 0 "[ . 1 . 2]" 1
1003 1 70 PRO HA 1 71 GLU HB3 . . 4.390 4.371 4.304 4.420 0.030 17 0 "[ . 1 . 2]" 1
1004 1 70 PRO HA 1 71 GLU HG2 . . 4.710 4.458 4.390 4.613 . 0 0 "[ . 1 . 2]" 1
1005 1 54 GLY HA3 1 70 PRO HA . . 5.500 5.482 5.338 5.510 0.010 4 0 "[ . 1 . 2]" 1
1006 1 55 TRP HE3 1 70 PRO HA . . 4.420 3.537 3.439 3.633 . 0 0 "[ . 1 . 2]" 1
1007 1 55 TRP HA 1 70 PRO HB2 . . 5.500 5.361 5.166 5.460 . 0 0 "[ . 1 . 2]" 1
1008 1 70 PRO HB2 1 71 GLU H . . 4.110 3.689 3.551 3.792 . 0 0 "[ . 1 . 2]" 1
1009 1 70 PRO HB3 1 72 ASN QB . . 4.830 4.240 4.179 4.325 . 0 0 "[ . 1 . 2]" 1
1010 1 70 PRO HB3 1 73 TYR HB2 . . 5.420 4.784 4.720 4.843 . 0 0 "[ . 1 . 2]" 1
1011 1 55 TRP HA 1 70 PRO HB3 . . 5.040 4.825 4.622 4.914 . 0 0 "[ . 1 . 2]" 1
1012 1 70 PRO HG2 1 73 TYR HB3 . . 4.300 3.304 3.255 3.379 . 0 0 "[ . 1 . 2]" 1
1013 1 69 LEU HA 1 70 PRO HG2 . . 4.710 4.543 4.508 4.561 . 0 0 "[ . 1 . 2]" 1
1014 1 70 PRO HG2 1 73 TYR H . . 4.710 3.808 3.728 3.885 . 0 0 "[ . 1 . 2]" 1
1015 1 69 LEU HA 1 70 PRO HG3 . . 4.540 4.495 4.469 4.508 . 0 0 "[ . 1 . 2]" 1
1016 1 55 TRP HZ3 1 70 PRO HG3 . . 4.590 4.164 4.017 4.266 . 0 0 "[ . 1 . 2]" 1
1017 1 35 LEU HG 1 70 PRO QD . . 3.820 3.253 3.043 3.391 . 0 0 "[ . 1 . 2]" 1
1018 1 58 GLY H 1 69 LEU HG . . 5.190 4.211 3.899 4.662 . 0 0 "[ . 1 . 2]" 1
1019 1 68 LEU HA 1 69 LEU HG . . 4.230 4.195 4.128 4.228 . 0 0 "[ . 1 . 2]" 1
1020 1 69 LEU HG 1 70 PRO QD . . 4.700 4.207 4.185 4.273 . 0 0 "[ . 1 . 2]" 1
1021 1 56 ILE H 1 69 LEU MD1 . . 5.110 5.038 4.985 5.117 0.007 12 0 "[ . 1 . 2]" 1
1022 1 58 GLY H 1 69 LEU MD1 . . 4.620 4.106 3.859 4.461 . 0 0 "[ . 1 . 2]" 1
1023 1 69 LEU MD1 1 73 TYR H . . 5.340 5.086 5.053 5.134 . 0 0 "[ . 1 . 2]" 1
1024 1 69 LEU MD1 1 74 ILE H . . 5.310 5.010 4.882 5.127 . 0 0 "[ . 1 . 2]" 1
1025 1 69 LEU MD1 1 73 TYR QD . . 5.500 5.503 5.398 5.536 0.036 18 0 "[ . 1 . 2]" 1
1026 1 21 VAL HA 1 69 LEU MD1 . . 5.230 5.081 4.958 5.216 . 0 0 "[ . 1 . 2]" 1
1027 1 69 LEU MD1 1 73 TYR HB2 . . 4.280 4.079 4.025 4.108 . 0 0 "[ . 1 . 2]" 1
1028 1 56 ILE H 1 69 LEU MD2 . . 4.360 3.929 3.820 4.059 . 0 0 "[ . 1 . 2]" 1
1029 1 68 LEU H 1 69 LEU MD2 . . 4.450 3.857 3.732 3.942 . 0 0 "[ . 1 . 2]" 1
1030 1 59 THR H 1 69 LEU MD2 . . 5.210 4.726 4.409 5.047 . 0 0 "[ . 1 . 2]" 1
1031 1 56 ILE H 1 68 LEU HA . . 4.590 3.688 3.572 3.843 . 0 0 "[ . 1 . 2]" 1
1032 1 32 GLU HB2 1 68 LEU HA . . 5.500 5.490 5.425 5.520 0.020 17 0 "[ . 1 . 2]" 1
1033 1 68 LEU HB2 1 69 LEU H . . 4.560 4.185 4.031 4.285 . 0 0 "[ . 1 . 2]" 1
1034 1 55 TRP HZ3 1 68 LEU HB2 . . 5.470 5.328 5.192 5.456 . 0 0 "[ . 1 . 2]" 1
1035 1 55 TRP HB3 1 68 LEU HB2 . . 4.690 4.498 4.314 4.692 0.002 19 0 "[ . 1 . 2]" 1
1036 1 32 GLU HB2 1 68 LEU HB2 . . 4.510 4.324 4.091 4.446 . 0 0 "[ . 1 . 2]" 1
1037 1 32 GLU HB3 1 68 LEU HB3 . . 4.320 4.057 3.760 4.309 . 0 0 "[ . 1 . 2]" 1
1038 1 32 GLU HB2 1 68 LEU HB3 . . 4.730 4.646 4.545 4.725 . 0 0 "[ . 1 . 2]" 1
1039 1 55 TRP HB3 1 68 LEU HB3 . . 4.400 2.765 2.569 2.971 . 0 0 "[ . 1 . 2]" 1
1040 1 57 TYR HA 1 68 LEU HG . . 4.210 3.537 3.388 3.776 . 0 0 "[ . 1 . 2]" 1
1041 1 67 GLY HA2 1 68 LEU HG . . 4.700 4.321 4.169 4.396 . 0 0 "[ . 1 . 2]" 1
1042 1 55 TRP H 1 68 LEU MD1 . . 5.500 5.477 5.398 5.515 0.015 4 0 "[ . 1 . 2]" 1
1043 1 57 TYR H 1 68 LEU MD2 . . 4.110 2.805 2.536 3.073 . 0 0 "[ . 1 . 2]" 1
1044 1 56 ILE H 1 68 LEU MD2 . . 4.270 2.451 2.294 2.671 . 0 0 "[ . 1 . 2]" 1
1045 1 33 LEU HB3 1 67 GLY HA3 . . 4.170 3.125 2.888 3.614 . 0 0 "[ . 1 . 2]" 1
1046 1 57 TYR HA 1 67 GLY HA2 . . 5.440 4.616 4.478 4.827 . 0 0 "[ . 1 . 2]" 1
1047 1 67 GLY HA2 1 68 LEU HB2 . . 4.940 4.585 4.506 4.720 . 0 0 "[ . 1 . 2]" 1
1048 1 66 SER HA 1 67 GLY HA3 . . 4.630 4.328 4.310 4.353 . 0 0 "[ . 1 . 2]" 1
1049 1 66 SER HA 1 67 GLY HA2 . . 4.820 4.481 4.424 4.556 . 0 0 "[ . 1 . 2]" 1
1050 1 58 GLY HA2 1 66 SER HA . . 5.500 5.297 5.109 5.418 . 0 0 "[ . 1 . 2]" 1
1051 1 59 THR MG 1 66 SER HB2 . . 4.650 3.936 2.598 4.590 . 0 0 "[ . 1 . 2]" 1
1052 1 59 THR MG 1 66 SER HB3 . . 4.650 2.904 2.248 4.157 . 0 0 "[ . 1 . 2]" 1
1053 1 63 THR HB 1 65 CYS H . . 4.240 3.348 2.865 3.894 . 0 0 "[ . 1 . 2]" 1
1054 1 62 THR H 1 63 THR MG . . 4.580 4.414 4.162 4.615 0.035 17 0 "[ . 1 . 2]" 1
1055 1 60 SER HB3 1 63 THR MG . . 4.550 3.904 3.577 4.196 . 0 0 "[ . 1 . 2]" 1
1056 1 61 LEU MD2 1 62 THR HA . . 5.060 4.798 4.559 5.059 . 0 0 "[ . 1 . 2]" 1
1057 1 40 PHE QB 1 61 LEU HA . . 5.170 4.839 4.654 4.959 . 0 0 "[ . 1 . 2]" 1
1058 1 60 SER HA 1 61 LEU HA . . 4.410 4.365 4.347 4.411 0.001 4 0 "[ . 1 . 2]" 1
1059 1 60 SER HA 1 61 LEU HB3 . . 5.100 4.913 4.872 5.008 . 0 0 "[ . 1 . 2]" 1
1060 1 61 LEU HG 1 62 THR HA . . 4.520 4.399 4.249 4.518 . 0 0 "[ . 1 . 2]" 1
1061 1 40 PHE QB 1 61 LEU HG . . 4.680 4.450 4.245 4.664 . 0 0 "[ . 1 . 2]" 1
1062 1 61 LEU H 1 61 LEU MD2 . . 4.520 4.362 4.298 4.446 . 0 0 "[ . 1 . 2]" 1
1063 1 61 LEU H 1 61 LEU MD1 . . 4.070 4.045 3.954 4.089 0.019 4 0 "[ . 1 . 2]" 1
1064 1 42 PHE QD 1 61 LEU MD1 . . 4.140 3.208 3.097 3.294 . 0 0 "[ . 1 . 2]" 1
1065 1 60 SER HB2 1 63 THR MG . . 4.550 4.351 4.082 4.549 . 0 0 "[ . 1 . 2]" 1
1066 1 59 THR MG 1 60 SER HB2 . . 4.600 4.440 4.180 4.590 . 0 0 "[ . 1 . 2]" 1
1067 1 41 ILE HA 1 59 THR HB . . 5.400 4.868 4.662 5.129 . 0 0 "[ . 1 . 2]" 1
1068 1 58 GLY HA2 1 59 THR HB . . 5.500 4.613 4.454 4.746 . 0 0 "[ . 1 . 2]" 1
1069 1 59 THR HB 1 66 SER HA . . 5.260 4.706 4.487 4.913 . 0 0 "[ . 1 . 2]" 1
1070 1 20 GLN HG2 1 38 GLY HA2 . . 4.420 3.947 3.744 4.069 . 0 0 "[ . 1 . 2]" 1
1071 1 57 TYR HA 1 69 LEU H . . 4.240 3.721 3.504 3.909 . 0 0 "[ . 1 . 2]" 1
1072 1 57 TYR QD 1 67 GLY HA2 . . 4.030 3.606 3.513 3.654 . 0 0 "[ . 1 . 2]" 1
1073 1 57 TYR QD 1 67 GLY HA3 . . 4.960 4.943 4.836 4.970 0.010 12 0 "[ . 1 . 2]" 1
1074 1 57 TYR QD 1 68 LEU HA . . 4.150 3.500 3.359 3.744 . 0 0 "[ . 1 . 2]" 1
1075 1 57 TYR HA 1 57 TYR QD . . 3.530 2.940 2.839 3.055 . 0 0 "[ . 1 . 2]" 1
1076 1 57 TYR H 1 57 TYR QD . . 4.280 4.219 4.186 4.265 . 0 0 "[ . 1 . 2]" 1
1077 1 57 TYR QD 1 68 LEU H . . 4.450 3.898 3.759 4.139 . 0 0 "[ . 1 . 2]" 1
1078 1 56 ILE HB 1 71 GLU HA . . 5.090 4.980 4.808 5.080 . 0 0 "[ . 1 . 2]" 1
1079 1 43 MET HA 1 56 ILE HB . . 5.420 5.162 4.912 5.380 . 0 0 "[ . 1 . 2]" 1
1080 1 56 ILE HB 1 69 LEU H . . 4.840 4.743 4.616 4.829 . 0 0 "[ . 1 . 2]" 1
1081 1 56 ILE HG12 1 57 TYR H . . 5.500 5.422 5.334 5.475 . 0 0 "[ . 1 . 2]" 1
1082 1 55 TRP HB3 1 56 ILE HG13 . . 4.810 4.364 4.258 4.457 . 0 0 "[ . 1 . 2]" 1
1083 1 56 ILE HG13 1 71 GLU H . . 5.030 4.070 3.824 4.276 . 0 0 "[ . 1 . 2]" 1
1084 1 56 ILE HG13 1 69 LEU H . . 4.630 2.976 2.848 3.086 . 0 0 "[ . 1 . 2]" 1
1085 1 56 ILE HG13 1 57 TYR H . . 5.000 4.697 4.635 4.762 . 0 0 "[ . 1 . 2]" 1
1086 1 56 ILE MG 1 69 LEU H . . 5.200 5.084 5.033 5.156 . 0 0 "[ . 1 . 2]" 1
1087 1 56 ILE MD 1 57 TYR H . . 5.300 4.967 4.765 5.080 . 0 0 "[ . 1 . 2]" 1
1088 1 56 ILE MD 1 71 GLU H . . 4.320 3.872 3.660 4.043 . 0 0 "[ . 1 . 2]" 1
1089 1 56 ILE MD 1 73 TYR H . . 4.670 4.268 4.088 4.410 . 0 0 "[ . 1 . 2]" 1
1090 1 56 ILE MD 1 74 ILE H . . 4.170 4.149 4.051 4.180 0.010 17 0 "[ . 1 . 2]" 1
1091 1 55 TRP HA 1 55 TRP HE3 . . 4.130 3.461 3.373 3.582 . 0 0 "[ . 1 . 2]" 1
1092 1 55 TRP HA 1 56 ILE MD . . 5.010 4.790 4.693 4.872 . 0 0 "[ . 1 . 2]" 1
1093 1 51 THR MG 1 55 TRP HB3 . . 4.610 3.838 3.627 4.170 . 0 0 "[ . 1 . 2]" 1
1094 1 51 THR MG 1 55 TRP HB2 . . 4.450 3.426 3.312 3.652 . 0 0 "[ . 1 . 2]" 1
1095 1 53 GLU QB 1 55 TRP HD1 . . 4.570 2.980 2.655 3.990 . 0 0 "[ . 1 . 2]" 1
1096 1 54 GLY HA3 1 55 TRP HD1 . . 4.280 4.039 3.900 4.175 . 0 0 "[ . 1 . 2]" 1
1097 1 50 SER HB2 1 55 TRP HD1 . . 4.750 4.668 4.530 4.754 0.004 1 0 "[ . 1 . 2]" 1
1098 1 55 TRP HA 1 55 TRP HD1 . . 4.340 4.021 3.946 4.072 . 0 0 "[ . 1 . 2]" 1
1099 1 55 TRP H 1 55 TRP HD1 . . 3.450 2.237 2.098 2.329 . 0 0 "[ . 1 . 2]" 1
1100 1 83 TRP HE3 1 84 ILE HA . . 5.500 5.300 4.998 5.514 0.014 11 0 "[ . 1 . 2]" 1
1101 1 55 TRP HH2 1 69 LEU HA . . 5.370 5.267 5.080 5.370 . 14 0 "[ . 1 . 2]" 1
1102 1 54 GLY HA2 1 71 GLU HB3 . . 4.510 4.267 4.030 4.438 . 0 0 "[ . 1 . 2]" 1
1103 1 53 GLU QG 1 54 GLY HA2 . . 5.300 4.802 3.850 5.301 0.001 19 0 "[ . 1 . 2]" 1
1104 1 54 GLY HA2 1 55 TRP HD1 . . 5.430 5.180 5.003 5.279 . 0 0 "[ . 1 . 2]" 1
1105 1 54 GLY HA3 1 71 GLU HB3 . . 5.350 5.101 4.907 5.280 . 0 0 "[ . 1 . 2]" 1
1106 1 54 GLY HA3 1 71 GLU HG2 . . 4.340 4.244 3.959 4.349 0.009 1 0 "[ . 1 . 2]" 1
1107 1 53 GLU HA 1 54 GLY HA2 . . 4.780 4.730 4.679 4.768 . 0 0 "[ . 1 . 2]" 1
1108 1 51 THR HA 1 55 TRP HB2 . . 4.470 2.427 2.315 2.595 . 0 0 "[ . 1 . 2]" 1
1109 1 51 THR HA 1 68 LEU MD1 . . 4.930 4.680 4.520 4.914 . 0 0 "[ . 1 . 2]" 1
1110 1 50 SER HA 1 51 THR HA . . 4.740 4.623 4.588 4.658 . 0 0 "[ . 1 . 2]" 1
1111 1 51 THR HB 1 56 ILE HA . . 4.110 2.137 2.001 2.230 . 0 0 "[ . 1 . 2]" 1
1112 1 51 THR HB 1 56 ILE MD . . 5.500 5.451 5.379 5.507 0.007 7 0 "[ . 1 . 2]" 1
1113 1 51 THR MG 1 56 ILE H . . 4.570 3.424 3.221 3.630 . 0 0 "[ . 1 . 2]" 1
1114 1 51 THR MG 1 57 TYR QD . . 4.430 4.204 4.103 4.298 . 0 0 "[ . 1 . 2]" 1
1115 1 51 THR MG 1 68 LEU HA . . 4.420 4.331 4.115 4.421 0.001 16 0 "[ . 1 . 2]" 1
1116 1 51 THR MG 1 57 TYR HA . . 4.020 3.849 3.655 3.948 . 0 0 "[ . 1 . 2]" 1
1117 1 50 SER HB3 1 53 GLU QB . . 4.440 3.874 3.720 4.047 . 0 0 "[ . 1 . 2]" 1
1118 1 50 SER HB3 1 51 THR HA . . 5.250 4.998 4.945 5.058 . 0 0 "[ . 1 . 2]" 1
1119 1 48 GLN HA 1 49 THR HA . . 4.850 4.451 4.396 4.615 . 0 0 "[ . 1 . 2]" 1
1120 1 49 THR HA 1 50 SER HA . . 5.190 4.371 4.363 4.400 . 0 0 "[ . 1 . 2]" 1
1121 1 49 THR HA 1 51 THR H . . 4.700 3.546 3.359 3.797 . 0 0 "[ . 1 . 2]" 1
1122 1 45 PRO HA 1 48 GLN HB2 . . 4.480 3.480 2.804 4.241 . 0 0 "[ . 1 . 2]" 1
1123 1 45 PRO QD 1 46 MET HG2 . . 5.000 4.482 3.463 5.067 0.067 20 0 "[ . 1 . 2]" 1
1124 1 45 PRO QD 1 46 MET HG3 . . 5.000 4.226 3.364 5.006 0.006 3 0 "[ . 1 . 2]" 1
1125 1 44 SER HA 1 45 PRO HA . . 4.710 4.416 4.399 4.498 . 0 0 "[ . 1 . 2]" 1
1126 1 44 SER HA 1 45 PRO HG3 . . 4.450 4.359 4.314 4.392 . 0 0 "[ . 1 . 2]" 1
1127 1 17 GLU H 1 45 PRO QD . . 4.380 4.271 3.878 4.380 . 0 0 "[ . 1 . 2]" 1
1128 1 16 HIS HD2 1 43 MET HA . . 5.080 4.819 3.980 5.082 0.002 3 0 "[ . 1 . 2]" 1
1129 1 43 MET HG2 1 44 SER H . . 4.570 3.453 3.279 3.688 . 0 0 "[ . 1 . 2]" 1
1130 1 43 MET HG3 1 44 SER H . . 4.570 4.377 4.255 4.542 . 0 0 "[ . 1 . 2]" 1
1131 1 42 PHE HB2 1 59 THR MG . . 4.540 3.795 3.424 4.014 . 0 0 "[ . 1 . 2]" 1
1132 1 41 ILE HA 1 42 PHE HB2 . . 5.050 4.460 4.407 4.530 . 0 0 "[ . 1 . 2]" 1
1133 1 42 PHE HB2 1 58 GLY HA2 . . 5.500 4.691 4.586 4.792 . 0 0 "[ . 1 . 2]" 1
1134 1 42 PHE HB3 1 59 THR MG . . 5.420 5.116 4.788 5.328 . 0 0 "[ . 1 . 2]" 1
1135 1 40 PHE QB 1 41 ILE HB . . 5.240 5.068 4.953 5.239 . 0 0 "[ . 1 . 2]" 1
1136 1 40 PHE HA 1 41 ILE HB . . 4.820 4.583 4.500 4.707 . 0 0 "[ . 1 . 2]" 1
1137 1 40 PHE H 1 41 ILE MD . . 4.290 4.163 3.933 4.294 0.004 18 0 "[ . 1 . 2]" 1
1138 1 40 PHE HA 1 41 ILE HG12 . . 4.370 3.326 3.116 3.685 . 0 0 "[ . 1 . 2]" 1
1139 1 40 PHE HA 1 41 ILE MD . . 4.470 4.275 3.962 4.417 . 0 0 "[ . 1 . 2]" 1
1140 1 19 LEU H 1 40 PHE HA . . 4.700 4.326 4.184 4.485 . 0 0 "[ . 1 . 2]" 1
1141 1 36 VAL H 1 39 ASP HB2 . . 4.680 4.066 3.359 4.507 . 0 0 "[ . 1 . 2]" 1
1142 1 20 GLN HG2 1 38 GLY HA3 . . 5.500 5.480 5.309 5.510 0.010 14 0 "[ . 1 . 2]" 1
1143 1 21 VAL HB 1 38 GLY HA3 . . 5.500 5.266 4.874 5.506 0.006 17 0 "[ . 1 . 2]" 1
1144 1 36 VAL MG1 1 37 PRO HB3 . . 4.950 4.681 4.560 4.862 . 0 0 "[ . 1 . 2]" 1
1145 1 22 ILE HA 1 37 PRO HB3 . . 5.210 4.997 4.809 5.222 0.012 18 0 "[ . 1 . 2]" 1
1146 1 21 VAL MG1 1 37 PRO HB2 . . 4.750 4.414 4.270 4.729 . 0 0 "[ . 1 . 2]" 1
1147 1 36 VAL MG1 1 37 PRO HB2 . . 4.670 4.416 4.297 4.606 . 0 0 "[ . 1 . 2]" 1
1148 1 37 PRO HB2 1 38 GLY HA3 . . 4.480 4.414 4.352 4.474 . 0 0 "[ . 1 . 2]" 1
1149 1 36 VAL HA 1 37 PRO HB2 . . 5.500 5.472 5.451 5.486 . 0 0 "[ . 1 . 2]" 1
1150 1 21 VAL MG1 1 37 PRO HG2 . . 5.380 5.037 4.860 5.322 . 0 0 "[ . 1 . 2]" 1
1151 1 27 PRO HD2 1 34 GLU H . . 5.220 5.172 5.021 5.224 0.004 15 0 "[ . 1 . 2]" 1
1152 1 27 PRO HD2 1 35 LEU H . . 5.130 4.672 4.538 4.837 . 0 0 "[ . 1 . 2]" 1
1153 1 35 LEU HA 1 36 VAL HB . . 4.820 4.571 4.380 4.645 . 0 0 "[ . 1 . 2]" 1
1154 1 36 VAL HB 1 39 ASP H . . 4.480 4.163 4.072 4.266 . 0 0 "[ . 1 . 2]" 1
1155 1 35 LEU HA 1 36 VAL MG1 . . 5.500 5.449 5.413 5.467 . 0 0 "[ . 1 . 2]" 1
1156 1 36 VAL MG1 1 38 GLY H . . 4.700 4.296 4.048 4.526 . 0 0 "[ . 1 . 2]" 1
1157 1 36 VAL MG2 1 39 ASP H . . 5.500 5.489 5.427 5.511 0.011 1 0 "[ . 1 . 2]" 1
1158 1 35 LEU H 1 36 VAL MG2 . . 4.710 4.087 3.928 4.280 . 0 0 "[ . 1 . 2]" 1
1159 1 24 PRO HA 1 35 LEU HB2 . . 4.400 2.855 2.624 3.035 . 0 0 "[ . 1 . 2]" 1
1160 1 25 TYR HB2 1 35 LEU HB3 . . 4.610 4.471 4.098 4.648 0.038 13 0 "[ . 1 . 2]" 1
1161 1 24 PRO HA 1 35 LEU HB3 . . 4.540 3.262 2.406 3.678 . 0 0 "[ . 1 . 2]" 1
1162 1 25 TYR H 1 35 LEU HG . . 5.200 4.170 3.926 4.722 . 0 0 "[ . 1 . 2]" 1
1163 1 25 TYR QE 1 35 LEU MD1 . . 5.500 4.870 4.076 5.566 0.066 13 0 "[ . 1 . 2]" 1
1164 1 34 GLU HA 1 35 LEU MD1 . . 5.500 5.165 4.592 5.466 . 0 0 "[ . 1 . 2]" 1
1165 1 25 TYR H 1 35 LEU MD1 . . 5.050 4.186 3.565 5.057 0.007 13 0 "[ . 1 . 2]" 1
1166 1 34 GLU HA 1 35 LEU MD2 . . 5.500 3.796 2.603 4.787 . 0 0 "[ . 1 . 2]" 1
1167 1 34 GLU HA 1 36 VAL MG2 . . 5.500 5.178 4.943 5.384 . 0 0 "[ . 1 . 2]" 1
1168 1 34 GLU HB2 1 35 LEU H . . 4.600 4.099 3.972 4.251 . 0 0 "[ . 1 . 2]" 1
1169 1 34 GLU HB3 1 35 LEU H . . 4.600 3.831 3.635 4.145 . 0 0 "[ . 1 . 2]" 1
1170 1 33 LEU HA 1 67 GLY HA3 . . 4.470 3.587 3.322 3.743 . 0 0 "[ . 1 . 2]" 1
1171 1 32 GLU HA 1 33 LEU HB3 . . 4.680 4.342 4.263 4.611 . 0 0 "[ . 1 . 2]" 1
1172 1 33 LEU HB3 1 69 LEU HA . . 5.240 4.913 4.689 5.134 . 0 0 "[ . 1 . 2]" 1
1173 1 33 LEU HB3 1 67 GLY HA2 . . 5.110 4.583 4.366 5.017 . 0 0 "[ . 1 . 2]" 1
1174 1 32 GLU HA 1 33 LEU HB2 . . 4.680 4.512 4.295 4.587 . 0 0 "[ . 1 . 2]" 1
1175 1 33 LEU HB2 1 34 GLU H . . 4.460 3.840 3.717 4.036 . 0 0 "[ . 1 . 2]" 1
1176 1 33 LEU HB2 1 67 GLY H . . 4.650 3.134 2.901 3.342 . 0 0 "[ . 1 . 2]" 1
1177 1 33 LEU MD2 1 34 GLU H . . 4.250 4.057 3.860 4.207 . 0 0 "[ . 1 . 2]" 1
1178 1 31 ASP H 1 32 GLU HA . . 5.500 5.494 5.336 5.542 0.042 4 0 "[ . 1 . 2]" 1
1179 1 32 GLU HA 1 33 LEU HA . . 4.550 4.468 4.422 4.500 . 0 0 "[ . 1 . 2]" 1
1180 1 32 GLU HA 1 67 GLY HA2 . . 4.730 4.246 4.119 4.447 . 0 0 "[ . 1 . 2]" 1
1181 1 32 GLU HA 1 67 GLY HA3 . . 4.280 3.526 3.406 3.668 . 0 0 "[ . 1 . 2]" 1
1182 1 32 GLU HA 1 68 LEU HG . . 4.700 4.498 4.215 4.656 . 0 0 "[ . 1 . 2]" 1
1183 1 32 GLU HB2 1 33 LEU H . . 4.290 2.169 2.057 2.403 . 0 0 "[ . 1 . 2]" 1
1184 1 32 GLU HB2 1 55 TRP HZ3 . . 4.540 3.532 3.342 3.693 . 0 0 "[ . 1 . 2]" 1
1185 1 27 PRO HA 1 32 GLU HB2 . . 5.050 4.061 3.846 4.309 . 0 0 "[ . 1 . 2]" 1
1186 1 32 GLU HB2 1 33 LEU HA . . 5.500 4.421 4.294 4.572 . 0 0 "[ . 1 . 2]" 1
1187 1 32 GLU HB3 1 68 LEU MD1 . . 5.000 4.657 4.398 4.821 . 0 0 "[ . 1 . 2]" 1
1188 1 32 GLU HB3 1 33 LEU H . . 4.540 3.590 3.465 3.766 . 0 0 "[ . 1 . 2]" 1
1189 1 27 PRO HA 1 32 GLU HG2 . . 4.470 3.417 3.260 3.588 . 0 0 "[ . 1 . 2]" 1
1190 1 28 GLN H 1 32 GLU HG2 . . 4.630 3.075 2.796 3.258 . 0 0 "[ . 1 . 2]" 1
1191 1 28 GLN H 1 32 GLU HG3 . . 4.840 2.582 2.389 2.833 . 0 0 "[ . 1 . 2]" 1
1192 1 10 ASP HB3 1 11 ILE H . . 4.590 3.485 2.317 4.430 . 0 0 "[ . 1 . 2]" 1
1193 1 21 VAL MG1 1 39 ASP HB2 . . 5.480 4.955 4.300 5.367 . 0 0 "[ . 1 . 2]" 1
1194 1 28 GLN HA 1 28 GLN HE22 . . 4.710 4.117 3.893 4.214 . 0 0 "[ . 1 . 2]" 1
1195 1 28 GLN HA 1 28 GLN HE21 . . 4.710 3.522 3.309 3.648 . 0 0 "[ . 1 . 2]" 1
1196 1 28 GLN HG2 1 29 ASN H . . 4.700 4.273 4.209 4.336 . 0 0 "[ . 1 . 2]" 1
1197 1 28 GLN HG3 1 29 ASN H . . 5.150 5.057 5.015 5.094 . 0 0 "[ . 1 . 2]" 1
1198 1 27 PRO HA 1 32 GLU HG3 . . 3.640 2.152 2.007 2.338 . 0 0 "[ . 1 . 2]" 1
1199 1 25 TYR QE 1 27 PRO HB3 . . 4.330 2.450 2.093 2.959 . 0 0 "[ . 1 . 2]" 1
1200 1 25 TYR QE 1 27 PRO HB2 . . 4.410 4.029 3.749 4.414 0.004 15 0 "[ . 1 . 2]" 1
1201 1 26 THR MG 1 27 PRO HG3 . . 5.130 4.848 4.640 5.082 . 0 0 "[ . 1 . 2]" 1
1202 1 27 PRO HG3 1 29 ASN H . . 5.500 5.368 5.203 5.503 0.003 16 0 "[ . 1 . 2]" 1
1203 1 27 PRO HG2 1 34 GLU HG3 . . 4.690 4.366 3.899 4.689 . 0 0 "[ . 1 . 2]" 1
1204 1 27 PRO HG2 1 29 ASN H . . 4.850 4.681 4.486 4.810 . 0 0 "[ . 1 . 2]" 1
1205 1 25 TYR H 1 37 PRO HD3 . . 5.000 4.831 4.602 5.004 0.004 13 0 "[ . 1 . 2]" 1
1206 1 25 TYR HB2 1 35 LEU H . . 5.050 4.754 4.152 5.055 0.005 16 0 "[ . 1 . 2]" 1
1207 1 25 TYR QD 1 70 PRO HG3 . . 4.410 3.378 2.944 3.758 . 0 0 "[ . 1 . 2]" 1
1208 1 25 TYR QD 1 70 PRO HG2 . . 4.660 4.384 4.119 4.592 . 0 0 "[ . 1 . 2]" 1
1209 1 25 TYR QD 1 27 PRO HD3 . . 4.430 3.114 2.853 3.527 . 0 0 "[ . 1 . 2]" 1
1210 1 25 TYR QD 1 69 LEU HA . . 4.520 4.378 4.042 4.526 0.006 13 0 "[ . 1 . 2]" 1
1211 1 25 TYR QD 1 35 LEU H . . 4.110 3.329 2.887 3.944 . 0 0 "[ . 1 . 2]" 1
1212 1 24 PRO QB 1 37 PRO HG3 . . 4.100 3.336 3.068 3.541 . 0 0 "[ . 1 . 2]" 1
1213 1 23 TYR HA 1 24 PRO QB . . 4.700 4.541 4.538 4.546 . 0 0 "[ . 1 . 2]" 1
1214 1 23 TYR HA 1 24 PRO HG3 . . 4.390 4.391 4.376 4.410 0.020 15 0 "[ . 1 . 2]" 1
1215 1 24 PRO HG3 1 37 PRO HG3 . . 4.410 3.596 3.327 3.822 . 0 0 "[ . 1 . 2]" 1
1216 1 24 PRO HG2 1 37 PRO HG3 . . 5.390 5.167 4.922 5.358 . 0 0 "[ . 1 . 2]" 1
1217 1 23 TYR HA 1 24 PRO HG2 . . 4.610 4.393 4.369 4.425 . 0 0 "[ . 1 . 2]" 1
1218 1 23 TYR H 1 24 PRO QD . . 4.620 4.208 4.169 4.263 . 0 0 "[ . 1 . 2]" 1
1219 1 22 ILE HG13 1 23 TYR HB2 . . 4.640 3.552 3.341 3.685 . 0 0 "[ . 1 . 2]" 1
1220 1 23 TYR HB3 1 24 PRO HG2 . . 4.400 4.060 3.986 4.122 . 0 0 "[ . 1 . 2]" 1
1221 1 22 ILE HA 1 23 TYR QD . . 4.820 4.570 4.507 4.676 . 0 0 "[ . 1 . 2]" 1
1222 1 22 ILE H 1 23 TYR QD . . 5.120 4.068 3.972 4.227 . 0 0 "[ . 1 . 2]" 1
1223 1 22 ILE HA 1 37 PRO HA . . 4.510 4.443 4.347 4.517 0.007 14 0 "[ . 1 . 2]" 1
1224 1 21 VAL HB 1 22 ILE HA . . 5.340 4.871 4.737 5.034 . 0 0 "[ . 1 . 2]" 1
1225 1 22 ILE HB 1 74 ILE HA . . 5.370 5.120 4.968 5.281 . 0 0 "[ . 1 . 2]" 1
1226 1 22 ILE HG12 1 74 ILE HB . . 4.720 4.522 4.371 4.693 . 0 0 "[ . 1 . 2]" 1
1227 1 21 VAL HA 1 22 ILE HG12 . . 4.520 3.526 3.441 3.621 . 0 0 "[ . 1 . 2]" 1
1228 1 22 ILE HA 1 22 ILE HG12 . . 4.240 3.592 3.529 3.649 . 0 0 "[ . 1 . 2]" 1
1229 1 22 ILE HG12 1 23 TYR H . . 4.330 3.652 3.330 3.841 . 0 0 "[ . 1 . 2]" 1
1230 1 21 VAL HA 1 22 ILE HG13 . . 4.570 4.190 4.083 4.371 . 0 0 "[ . 1 . 2]" 1
1231 1 22 ILE HA 1 22 ILE HG13 . . 4.170 3.693 3.656 3.737 . 0 0 "[ . 1 . 2]" 1
1232 1 22 ILE HG13 1 73 TYR HA . . 4.470 2.520 2.360 2.692 . 0 0 "[ . 1 . 2]" 1
1233 1 21 VAL MG1 1 74 ILE HA . . 4.370 3.785 3.583 3.947 . 0 0 "[ . 1 . 2]" 1
1234 1 21 VAL MG2 1 23 TYR H . . 4.700 4.471 4.323 4.607 . 0 0 "[ . 1 . 2]" 1
1235 1 20 GLN HB2 1 75 THR MG . . 4.350 3.340 3.107 3.562 . 0 0 "[ . 1 . 2]" 1
1236 1 20 GLN HB2 1 21 VAL H . . 4.540 4.277 4.164 4.383 . 0 0 "[ . 1 . 2]" 1
1237 1 19 LEU HB3 1 41 ILE H . . 5.170 5.070 4.957 5.176 0.006 17 0 "[ . 1 . 2]" 1
1238 1 19 LEU HB2 1 76 LYS HA . . 5.400 5.081 4.908 5.241 . 0 0 "[ . 1 . 2]" 1
1239 1 19 LEU HB2 1 41 ILE H . . 4.880 3.709 3.543 3.848 . 0 0 "[ . 1 . 2]" 1
1240 1 19 LEU HG 1 76 LYS HA . . 4.790 4.520 4.410 4.670 . 0 0 "[ . 1 . 2]" 1
1241 1 17 GLU QG 1 19 LEU HG . . 5.440 4.688 2.300 5.439 . 0 0 "[ . 1 . 2]" 1
1242 1 18 THR MG 1 19 LEU HG . . 4.840 4.632 4.490 4.733 . 0 0 "[ . 1 . 2]" 1
1243 1 19 LEU HG 1 41 ILE MG . . 4.990 4.435 4.202 4.694 . 0 0 "[ . 1 . 2]" 1
1244 1 18 THR HB 1 40 PHE QB . . 5.410 5.169 4.931 5.371 . 0 0 "[ . 1 . 2]" 1
1245 1 18 THR HB 1 40 PHE QD . . 4.800 4.478 4.270 4.697 . 0 0 "[ . 1 . 2]" 1
1246 1 18 THR HB 1 19 LEU H . . 4.150 3.975 3.807 4.130 . 0 0 "[ . 1 . 2]" 1
1247 1 18 THR MG 1 41 ILE H . . 4.030 3.100 2.918 3.425 . 0 0 "[ . 1 . 2]" 1
1248 1 18 THR MG 1 40 PHE H . . 5.500 5.450 5.233 5.515 0.015 18 0 "[ . 1 . 2]" 1
1249 1 18 THR MG 1 42 PHE HA . . 4.150 3.826 3.527 4.134 . 0 0 "[ . 1 . 2]" 1
1250 1 18 THR MG 1 40 PHE HA . . 4.160 3.926 3.722 4.074 . 0 0 "[ . 1 . 2]" 1
1251 1 19 LEU MD2 1 40 PHE QD . . 5.500 5.493 5.424 5.508 0.008 5 0 "[ . 1 . 2]" 1
1252 1 55 TRP HE3 1 68 LEU MD1 . . 4.570 4.549 4.422 4.577 0.007 18 0 "[ . 1 . 2]" 1
1253 1 18 THR HB 1 77 ALA H . . 4.600 4.132 3.928 4.438 . 0 0 "[ . 1 . 2]" 1
1254 1 14 ALA MB 1 15 ASN HA . . 4.340 4.119 3.886 4.248 . 0 0 "[ . 1 . 2]" 1
1255 1 11 ILE MG 1 12 ARG HA . . 4.300 3.904 3.542 4.284 . 0 0 "[ . 1 . 2]" 1
1256 1 12 ARG HB3 1 13 PHE H . . 4.470 3.600 2.075 4.409 . 0 0 "[ . 1 . 2]" 1
1257 1 12 ARG H 1 12 ARG QG . . 4.240 3.529 2.112 4.214 . 0 0 "[ . 1 . 2]" 1
1258 1 12 ARG HD2 1 13 PHE QE . . 5.060 4.215 3.013 5.059 . 0 0 "[ . 1 . 2]" 1
1259 1 12 ARG HD3 1 13 PHE QE . . 5.060 4.248 3.132 5.063 0.003 7 0 "[ . 1 . 2]" 1
1260 1 11 ILE HA 1 13 PHE H . . 5.090 4.077 3.656 4.512 . 0 0 "[ . 1 . 2]" 1
1261 1 10 ASP HA 1 11 ILE HA . . 4.630 4.378 4.312 4.591 . 0 0 "[ . 1 . 2]" 1
1262 1 11 ILE HB 1 12 ARG H . . 4.360 3.848 2.482 4.351 . 0 0 "[ . 1 . 2]" 1
1263 1 11 ILE H 1 11 ILE MD . . 4.390 2.945 1.799 3.744 . 0 0 "[ . 1 . 2]" 1
1264 1 10 ASP HB2 1 11 ILE H . . 4.590 3.969 2.482 4.588 . 0 0 "[ . 1 . 2]" 1
1265 1 39 ASP HA 1 40 PHE QD . . 4.810 4.318 4.152 4.500 . 0 0 "[ . 1 . 2]" 1
1266 1 35 LEU MD1 1 73 TYR HB3 . . 4.430 2.074 1.857 3.327 . 0 0 "[ . 1 . 2]" 1
1267 1 16 HIS HE1 1 44 SER HB2 . . 5.100 4.079 2.456 4.749 . 0 0 "[ . 1 . 2]" 1
1268 1 16 HIS HE1 1 44 SER HB3 . . 5.100 4.141 2.571 5.101 0.001 9 0 "[ . 1 . 2]" 1
1269 1 16 HIS HE1 1 45 PRO QD . . 5.240 4.775 4.285 5.248 0.008 18 0 "[ . 1 . 2]" 1
1270 1 42 PHE QD 1 59 THR MG . . 4.100 3.366 2.790 3.880 . 0 0 "[ . 1 . 2]" 1
1271 1 16 HIS HA 1 16 HIS HE1 . . 5.290 5.018 4.871 5.180 . 0 0 "[ . 1 . 2]" 1
1272 1 43 MET ME 1 45 PRO QD . . 3.390 2.828 2.204 3.208 . 0 0 "[ . 1 . 2]" 1
1273 1 43 MET ME 1 45 PRO HA . . 3.250 2.974 2.723 3.249 . 0 0 "[ . 1 . 2]" 1
1274 1 43 MET HA 1 43 MET ME . . 4.350 3.780 3.528 4.086 . 0 0 "[ . 1 . 2]" 1
1275 1 43 MET ME 1 44 SER HA . . 4.480 3.055 2.577 3.705 . 0 0 "[ . 1 . 2]" 1
1276 1 17 GLU H 1 43 MET ME . . 4.120 3.715 3.265 4.111 . 0 0 "[ . 1 . 2]" 1
1277 1 72 ASN QB 1 73 TYR H . . 4.310 3.695 3.665 3.742 . 0 0 "[ . 1 . 2]" 1
1278 1 58 GLY HA3 1 69 LEU MD2 . . 3.480 2.891 2.248 3.482 0.002 19 0 "[ . 1 . 2]" 1
1279 1 43 MET HA 1 58 GLY HA3 . . 4.300 3.505 3.088 4.091 . 0 0 "[ . 1 . 2]" 1
1280 1 26 THR MG 1 28 GLN HE21 . . 4.250 3.353 3.010 3.857 . 0 0 "[ . 1 . 2]" 1
1281 1 26 THR MG 1 28 GLN HE22 . . 4.250 3.718 3.299 4.248 . 0 0 "[ . 1 . 2]" 1
1282 1 26 THR HA 1 26 THR MG . . 2.950 2.243 2.173 2.355 . 0 0 "[ . 1 . 2]" 1
1283 1 26 THR H 1 26 THR HB . . 2.940 2.691 2.646 2.833 . 0 0 "[ . 1 . 2]" 1
1284 1 25 TYR HA 1 26 THR HB . . 4.830 4.775 4.716 4.804 . 0 0 "[ . 1 . 2]" 1
1285 1 76 LYS QE 1 76 LYS HG2 . . 3.510 2.652 2.172 3.490 . 0 0 "[ . 1 . 2]" 1
1286 1 22 ILE H 1 74 ILE MG . . 3.610 3.538 3.405 3.620 0.010 14 0 "[ . 1 . 2]" 1
1287 1 41 ILE MD 1 61 LEU H . . 3.760 3.373 3.196 3.637 . 0 0 "[ . 1 . 2]" 1
1288 1 16 HIS HB3 1 42 PHE QD . . 4.480 3.390 2.889 3.848 . 0 0 "[ . 1 . 2]" 1
1289 1 82 THR MG 1 85 PHE QD . . 4.440 2.652 1.981 3.420 . 0 0 "[ . 1 . 2]" 1
1290 1 35 LEU HG 1 70 PRO HG2 . . 4.760 4.455 3.586 4.771 0.011 18 0 "[ . 1 . 2]" 1
1291 1 42 PHE QE 1 59 THR HB . . 5.490 5.327 5.089 5.473 . 0 0 "[ . 1 . 2]" 1
1292 1 18 THR H 1 19 LEU MD2 . . 4.530 3.685 3.443 3.891 . 0 0 "[ . 1 . 2]" 1
1293 1 60 SER HA 1 61 LEU HB2 . . 4.390 4.204 4.139 4.243 . 0 0 "[ . 1 . 2]" 1
1294 1 13 PHE HA 1 14 ALA MB . . 5.500 4.578 4.061 5.016 . 0 0 "[ . 1 . 2]" 1
1295 1 20 GLN HG3 1 79 GLU QG . . 4.670 4.036 2.886 4.666 . 0 0 "[ . 1 . 2]" 1
1296 1 23 TYR HA 1 37 PRO HG3 . . 4.940 4.900 4.774 4.949 0.009 17 0 "[ . 1 . 2]" 1
1297 1 24 PRO HA 1 25 TYR HB3 . . 4.390 4.253 4.054 4.360 . 0 0 "[ . 1 . 2]" 1
1298 1 25 TYR QE 1 33 LEU H . . 4.480 3.484 3.094 3.651 . 0 0 "[ . 1 . 2]" 1
1299 1 25 TYR QE 1 27 PRO HA . . 3.170 2.714 2.349 2.871 . 0 0 "[ . 1 . 2]" 1
1300 1 25 TYR QE 1 35 LEU MD2 . . 5.500 4.770 3.315 5.505 0.005 7 0 "[ . 1 . 2]" 1
1301 1 25 TYR QE 1 32 GLU HG2 . . 3.720 3.559 3.368 3.720 . 0 0 "[ . 1 . 2]" 1
1302 1 25 TYR QE 1 32 GLU HB2 . . 3.430 2.327 2.188 2.490 . 0 0 "[ . 1 . 2]" 1
1303 1 25 TYR QE 1 32 GLU HG3 . . 3.710 2.377 2.155 2.613 . 0 0 "[ . 1 . 2]" 1
1304 1 26 THR HA 1 27 PRO HD2 . . 2.920 1.922 1.914 1.943 . 0 0 "[ . 1 . 2]" 1
1305 1 32 GLU HB2 1 33 LEU HB2 . . 5.500 5.352 5.134 5.468 . 0 0 "[ . 1 . 2]" 1
1306 1 32 GLU HB2 1 69 LEU MD2 . . 5.500 4.770 4.463 5.019 . 0 0 "[ . 1 . 2]" 1
1307 1 34 GLU HA 1 34 GLU HG2 . . 3.670 2.968 2.605 3.223 . 0 0 "[ . 1 . 2]" 1
1308 1 19 LEU MD1 1 43 MET HB3 . . 3.760 3.489 3.111 3.733 . 0 0 "[ . 1 . 2]" 1
1309 1 45 PRO HA 1 48 GLN HB3 . . 4.480 3.525 2.077 4.486 0.006 5 0 "[ . 1 . 2]" 1
1310 1 16 HIS HB3 1 17 GLU H . . 4.290 3.077 2.658 3.654 . 0 0 "[ . 1 . 2]" 1
1311 1 55 TRP HB2 1 68 LEU MD2 . . 4.060 2.436 2.278 2.604 . 0 0 "[ . 1 . 2]" 1
1312 1 51 THR MG 1 56 ILE HA . . 3.470 1.988 1.894 2.110 . 0 0 "[ . 1 . 2]" 1
1313 1 11 ILE MD 1 59 THR HB . . 5.500 5.306 3.897 5.501 0.001 8 0 "[ . 1 . 2]" 1
1314 1 59 THR HB 1 61 LEU MD1 . . 5.500 5.425 5.268 5.501 0.001 16 0 "[ . 1 . 2]" 1
1315 1 59 THR MG 1 64 GLY H . . 4.220 4.018 3.830 4.224 0.004 4 0 "[ . 1 . 2]" 1
1316 1 59 THR H 1 59 THR MG . . 4.070 3.866 3.754 3.920 . 0 0 "[ . 1 . 2]" 1
1317 1 25 TYR H 1 34 GLU HG2 . . 4.780 4.269 3.556 4.715 . 0 0 "[ . 1 . 2]" 1
1318 1 57 TYR QD 1 58 GLY H . . 3.950 3.857 3.712 3.953 0.003 9 0 "[ . 1 . 2]" 1
1319 1 83 TRP HH2 1 84 ILE MD . . 4.650 3.758 2.512 4.651 0.001 18 0 "[ . 1 . 2]" 1
1320 1 82 THR HB 1 85 PHE QE . . 5.500 5.125 3.544 5.507 0.007 9 0 "[ . 1 . 2]" 1
1321 1 20 GLN HG3 1 38 GLY HA2 . . 4.680 4.501 4.202 4.683 0.003 17 0 "[ . 1 . 2]" 1
1322 1 25 TYR QE 1 69 LEU HA . . 4.340 3.952 3.717 4.115 . 0 0 "[ . 1 . 2]" 1
1323 1 34 GLU H 1 34 GLU HG2 . . 4.580 4.495 4.419 4.578 . 0 0 "[ . 1 . 2]" 1
1324 1 74 ILE HB 1 75 THR HB . . 5.210 5.039 4.913 5.197 . 0 0 "[ . 1 . 2]" 1
1325 1 63 THR MG 1 64 GLY H . . 4.180 3.770 3.581 3.905 . 0 0 "[ . 1 . 2]" 1
1326 1 44 SER HA 1 45 PRO HG2 . . 4.450 4.321 4.128 4.396 . 0 0 "[ . 1 . 2]" 1
1327 1 46 MET HA 1 46 MET ME . . 3.880 3.211 2.045 3.917 0.037 20 0 "[ . 1 . 2]" 1
1328 1 20 GLN HG2 1 79 GLU QG . . 5.500 5.245 4.473 5.500 0.000 8 0 "[ . 1 . 2]" 1
1329 1 82 THR MG 1 85 PHE H . . 4.960 3.572 2.725 4.145 . 0 0 "[ . 1 . 2]" 1
1330 1 70 PRO HG3 1 73 TYR HB2 . . 4.450 3.762 3.724 3.821 . 0 0 "[ . 1 . 2]" 1
1331 1 33 LEU MD2 1 60 SER HB3 . . 3.830 3.565 3.279 3.833 0.003 14 0 "[ . 1 . 2]" 1
1332 1 10 ASP HA 1 11 ILE HB . . 5.100 4.736 4.493 4.985 . 0 0 "[ . 1 . 2]" 1
1333 1 17 GLU HA 1 18 THR H . . 3.260 2.390 2.287 2.536 . 0 0 "[ . 1 . 2]" 1
1334 1 26 THR HB 1 28 GLN HE22 . . 4.620 4.497 4.147 4.621 0.001 8 0 "[ . 1 . 2]" 1
1335 1 34 GLU HG2 1 36 VAL MG2 . . 3.500 2.932 2.500 3.323 . 0 0 "[ . 1 . 2]" 1
1336 1 34 GLU HG3 1 36 VAL MG2 . . 4.600 4.345 3.968 4.596 . 0 0 "[ . 1 . 2]" 1
1337 1 51 THR HB 1 55 TRP HB2 . . 4.580 4.504 4.368 4.552 . 0 0 "[ . 1 . 2]" 1
1338 1 51 THR HB 1 55 TRP HB3 . . 5.200 5.172 4.984 5.210 0.010 4 0 "[ . 1 . 2]" 1
1339 1 55 TRP HB2 1 55 TRP HE3 . . 4.180 4.037 4.001 4.061 . 0 0 "[ . 1 . 2]" 1
1340 1 55 TRP H 1 55 TRP HB3 . . 3.850 3.619 3.613 3.635 . 0 0 "[ . 1 . 2]" 1
1341 1 84 ILE HA 1 84 ILE MD . . 3.750 2.728 2.039 3.781 0.031 11 0 "[ . 1 . 2]" 1
1342 1 50 SER HA 1 53 GLU QB . . 3.910 3.659 3.436 3.825 . 0 0 "[ . 1 . 2]" 1
1343 1 52 SER HA 1 53 GLU H . . 3.550 3.504 3.453 3.543 . 0 0 "[ . 1 . 2]" 1
1344 1 27 PRO HB3 1 32 GLU HA . . 5.180 4.951 4.799 5.076 . 0 0 "[ . 1 . 2]" 1
1345 1 27 PRO HB3 1 33 LEU H . . 4.810 3.779 3.526 3.961 . 0 0 "[ . 1 . 2]" 1
1346 1 27 PRO HB3 1 34 GLU H . . 4.840 4.384 4.173 4.522 . 0 0 "[ . 1 . 2]" 1
1347 1 26 THR HA 1 27 PRO HB3 . . 5.090 4.960 4.914 5.027 . 0 0 "[ . 1 . 2]" 1
1348 1 27 PRO HB2 1 34 GLU H . . 5.180 5.115 4.928 5.186 0.006 20 0 "[ . 1 . 2]" 1
1349 1 28 GLN HB3 1 29 ASN H . . 4.230 4.192 4.047 4.238 0.008 13 0 "[ . 1 . 2]" 1
1350 1 33 LEU HB3 1 69 LEU HG . . 5.330 5.196 4.911 5.339 0.009 14 0 "[ . 1 . 2]" 1
1351 1 25 TYR H 1 34 GLU HA . . 4.860 4.718 4.464 4.860 0.000 2 0 "[ . 1 . 2]" 1
1352 1 27 PRO HD3 1 34 GLU HG3 . . 3.620 2.906 2.527 3.264 . 0 0 "[ . 1 . 2]" 1
1353 1 34 GLU HA 1 34 GLU HG3 . . 3.490 2.551 2.317 2.832 . 0 0 "[ . 1 . 2]" 1
1354 1 34 GLU H 1 34 GLU HG3 . . 4.670 4.400 4.296 4.530 . 0 0 "[ . 1 . 2]" 1
1355 1 34 GLU HG3 1 35 LEU H . . 3.850 2.935 2.431 3.509 . 0 0 "[ . 1 . 2]" 1
1356 1 16 HIS HA 1 44 SER HA . . 3.660 3.189 2.871 3.630 . 0 0 "[ . 1 . 2]" 1
1357 1 16 HIS HD2 1 44 SER HB2 . . 5.010 3.493 2.166 4.480 . 0 0 "[ . 1 . 2]" 1
1358 1 16 HIS HD2 1 44 SER HB3 . . 5.010 3.291 2.450 5.015 0.005 6 0 "[ . 1 . 2]" 1
1359 1 48 GLN HA 1 57 TYR HA . . 5.500 5.177 4.515 5.505 0.005 3 0 "[ . 1 . 2]" 1
1360 1 50 SER HB3 1 55 TRP H . . 5.500 5.264 5.186 5.388 . 0 0 "[ . 1 . 2]" 1
1361 1 51 THR HB 1 55 TRP H . . 4.780 4.734 4.644 4.796 0.016 18 0 "[ . 1 . 2]" 1
1362 1 51 THR MG 1 55 TRP H . . 4.940 4.682 4.575 4.819 . 0 0 "[ . 1 . 2]" 1
1363 1 48 GLN H 1 49 THR MG . . 4.710 4.211 3.813 4.650 . 0 0 "[ . 1 . 2]" 1
1364 1 59 THR MG 1 61 LEU HA . . 4.370 4.216 3.884 4.370 . 0 0 "[ . 1 . 2]" 1
1365 1 42 PHE QE 1 61 LEU HG . . 4.730 4.321 4.140 4.511 . 0 0 "[ . 1 . 2]" 1
1366 1 61 LEU HG 1 62 THR H . . 4.960 4.347 4.091 4.535 . 0 0 "[ . 1 . 2]" 1
1367 1 40 PHE H 1 61 LEU MD1 . . 5.020 4.835 4.560 5.016 . 0 0 "[ . 1 . 2]" 1
1368 1 61 LEU HB3 1 62 THR HA . . 5.020 4.071 3.955 4.153 . 0 0 "[ . 1 . 2]" 1
1369 1 62 THR HA 1 63 THR HA . . 4.720 4.626 4.585 4.676 . 0 0 "[ . 1 . 2]" 1
1370 1 62 THR HB 1 63 THR HA . . 4.840 4.575 4.396 4.715 . 0 0 "[ . 1 . 2]" 1
1371 1 65 CYS HA 1 66 SER HA . . 4.850 4.441 4.389 4.542 . 0 0 "[ . 1 . 2]" 1
1372 1 36 VAL HA 1 37 PRO HA . . 4.450 4.429 4.419 4.450 . 0 0 "[ . 1 . 2]" 1
1373 1 49 THR HB 1 51 THR H . . 5.500 5.112 4.849 5.449 . 0 0 "[ . 1 . 2]" 1
1374 1 28 GLN HB2 1 29 ASN HD22 . . 5.010 3.800 2.302 4.710 . 0 0 "[ . 1 . 2]" 1
1375 1 28 GLN HB3 1 29 ASN HD22 . . 4.940 4.009 3.681 4.262 . 0 0 "[ . 1 . 2]" 1
1376 1 27 PRO HA 1 28 GLN HG2 . . 4.550 3.268 3.197 3.439 . 0 0 "[ . 1 . 2]" 1
1377 1 27 PRO HA 1 28 GLN HG3 . . 5.000 4.790 4.720 5.001 0.001 16 0 "[ . 1 . 2]" 1
1378 1 32 GLU HA 1 68 LEU MD2 . . 4.910 4.811 4.613 4.915 0.005 12 0 "[ . 1 . 2]" 1
1379 1 32 GLU HB2 1 55 TRP HE3 . . 5.380 4.645 4.487 4.811 . 0 0 "[ . 1 . 2]" 1
1380 1 32 GLU HB2 1 55 TRP HH2 . . 5.500 5.191 4.859 5.447 . 0 0 "[ . 1 . 2]" 1
1381 1 32 GLU HG3 1 55 TRP HZ3 . . 5.120 4.539 4.385 4.752 . 0 0 "[ . 1 . 2]" 1
1382 1 32 GLU HG2 1 33 LEU HA . . 4.870 4.071 3.942 4.223 . 0 0 "[ . 1 . 2]" 1
1383 1 47 GLU QG 1 57 TYR QD . . 4.450 3.714 2.836 4.437 . 0 0 "[ . 1 . 2]" 1
1384 1 31 ASP HB2 1 68 LEU MD1 . . 4.220 4.147 3.055 4.238 0.018 6 0 "[ . 1 . 2]" 1
1385 1 46 MET HA 1 46 MET HG2 . . 3.670 2.637 2.323 3.640 . 0 0 "[ . 1 . 2]" 1
1386 1 9 ARG HA 1 9 ARG QD . . 4.270 3.701 2.163 4.254 . 0 0 "[ . 1 . 2]" 1
1387 1 9 ARG QB 1 9 ARG QD . . 3.000 2.191 2.036 2.666 . 0 0 "[ . 1 . 2]" 1
1388 1 10 ASP H 1 10 ASP QB . . 3.490 2.642 2.209 3.357 . 0 0 "[ . 1 . 2]" 1
1389 1 10 ASP QB 1 11 ILE H . . 4.020 3.186 2.295 3.908 . 0 0 "[ . 1 . 2]" 1
1390 1 10 ASP QB 1 12 ARG H . . 5.230 4.653 2.789 5.227 . 0 0 "[ . 1 . 2]" 1
1391 1 11 ILE H 1 11 ILE QG . . 3.480 2.519 2.075 3.210 . 0 0 "[ . 1 . 2]" 1
1392 1 11 ILE HA 1 11 ILE QG . . 2.970 2.502 2.268 2.992 0.022 14 0 "[ . 1 . 2]" 1
1393 1 12 ARG H 1 12 ARG QB . . 3.070 2.542 2.123 3.037 . 0 0 "[ . 1 . 2]" 1
1394 1 12 ARG H 1 12 ARG QD . . 4.790 4.319 3.534 4.793 0.003 5 0 "[ . 1 . 2]" 1
1395 1 12 ARG HA 1 12 ARG QD . . 3.970 3.035 1.974 3.998 0.028 19 0 "[ . 1 . 2]" 1
1396 1 12 ARG QB 1 12 ARG QD . . 3.040 2.213 2.049 2.586 . 0 0 "[ . 1 . 2]" 1
1397 1 12 ARG QB 1 13 PHE H . . 3.870 3.245 2.055 3.902 0.032 10 0 "[ . 1 . 2]" 1
1398 1 12 ARG QB 1 13 PHE HA . . 5.340 4.722 3.835 5.286 . 0 0 "[ . 1 . 2]" 1
1399 1 12 ARG QD 1 13 PHE QE . . 4.330 3.585 2.761 4.197 . 0 0 "[ . 1 . 2]" 1
1400 1 13 PHE H 1 13 PHE QB . . 3.540 2.988 2.182 3.451 . 0 0 "[ . 1 . 2]" 1
1401 1 13 PHE QB 1 14 ALA H . . 4.070 3.590 2.435 3.914 . 0 0 "[ . 1 . 2]" 1
1402 1 15 ASN QB 1 15 ASN QD . . 3.100 2.221 2.063 2.422 . 0 0 "[ . 1 . 2]" 1
1403 1 16 HIS H 1 16 HIS QB . . 3.540 2.373 2.197 2.946 . 0 0 "[ . 1 . 2]" 1
1404 1 16 HIS HA 1 44 SER QB . . 4.520 3.792 3.267 4.283 . 0 0 "[ . 1 . 2]" 1
1405 1 16 HIS QB 1 17 GLU H . . 3.450 2.998 2.615 3.453 0.003 6 0 "[ . 1 . 2]" 1
1406 1 16 HIS QB 1 42 PHE HB3 . . 3.610 2.898 2.416 3.610 . 0 0 "[ . 1 . 2]" 1
1407 1 16 HIS QB 1 42 PHE QD . . 3.910 3.258 2.855 3.621 . 0 0 "[ . 1 . 2]" 1
1408 1 16 HIS QB 1 42 PHE QE . . 5.340 4.616 3.896 5.042 . 0 0 "[ . 1 . 2]" 1
1409 1 16 HIS HD2 1 44 SER QB . . 4.370 2.575 2.153 4.055 . 0 0 "[ . 1 . 2]" 1
1410 1 16 HIS HE1 1 44 SER QB . . 4.440 3.588 2.235 4.123 . 0 0 "[ . 1 . 2]" 1
1411 1 17 GLU H 1 17 GLU QB . . 3.240 2.360 2.179 3.067 . 0 0 "[ . 1 . 2]" 1
1412 1 17 GLU QB 1 18 THR H . . 3.320 2.509 2.145 3.317 . 0 0 "[ . 1 . 2]" 1
1413 1 17 GLU QB 1 19 LEU MD2 . . 3.810 2.978 2.733 3.629 . 0 0 "[ . 1 . 2]" 1
1414 1 19 LEU HG 1 43 MET QG . . 5.060 4.611 4.160 4.849 . 0 0 "[ . 1 . 2]" 1
1415 1 19 LEU MD1 1 43 MET QB . . 3.010 2.310 2.090 2.445 . 0 0 "[ . 1 . 2]" 1
1416 1 19 LEU MD1 1 43 MET QG . . 3.000 2.876 2.552 3.001 0.001 2 0 "[ . 1 . 2]" 1
1417 1 19 LEU MD2 1 76 LYS QG . . 3.720 2.744 2.435 3.006 . 0 0 "[ . 1 . 2]" 1
1418 1 20 GLN QE 1 38 GLY HA2 . . 4.540 2.611 1.878 3.878 . 0 0 "[ . 1 . 2]" 1
1419 1 20 GLN QE 1 38 GLY HA3 . . 5.340 4.166 3.339 5.234 . 0 0 "[ . 1 . 2]" 1
1420 1 20 GLN QE 1 75 THR MG . . 4.760 4.314 3.106 4.761 0.001 3 0 "[ . 1 . 2]" 1
1421 1 21 VAL H 1 35 LEU QD . . 5.440 5.259 4.855 5.438 . 0 0 "[ . 1 . 2]" 1
1422 1 21 VAL HA 1 35 LEU QD . . 4.720 3.886 3.750 4.092 . 0 0 "[ . 1 . 2]" 1
1423 1 23 TYR H 1 35 LEU QD . . 4.550 4.211 3.944 4.570 0.020 13 0 "[ . 1 . 2]" 1
1424 1 24 PRO HA 1 35 LEU QD . . 4.550 4.087 3.734 4.270 . 0 0 "[ . 1 . 2]" 1
1425 1 25 TYR H 1 35 LEU QD . . 4.020 3.815 3.492 4.026 0.006 20 0 "[ . 1 . 2]" 1
1426 1 25 TYR HB2 1 35 LEU QD . . 3.400 2.670 1.796 3.409 0.009 15 0 "[ . 1 . 2]" 1
1427 1 25 TYR HB3 1 35 LEU QD . . 3.160 2.294 1.923 2.603 . 0 0 "[ . 1 . 2]" 1
1428 1 25 TYR QD 1 35 LEU QD . . 3.550 2.847 1.750 3.246 . 0 0 "[ . 1 . 2]" 1
1429 1 25 TYR QE 1 35 LEU QD . . 4.510 4.150 3.291 4.472 . 0 0 "[ . 1 . 2]" 1
1430 1 26 THR MG 1 28 GLN QE . . 3.720 3.119 2.790 3.582 . 0 0 "[ . 1 . 2]" 1
1431 1 27 PRO HD3 1 34 GLU QB . . 3.630 3.390 3.088 3.633 0.003 8 0 "[ . 1 . 2]" 1
1432 1 28 GLN HA 1 28 GLN QE . . 4.130 3.333 3.137 3.440 . 0 0 "[ . 1 . 2]" 1
1433 1 28 GLN HB3 1 29 ASN QB . . 4.880 4.765 4.579 4.890 0.010 19 0 "[ . 1 . 2]" 1
1434 1 28 GLN QE 1 28 GLN HG2 . . 3.430 2.100 2.098 2.105 . 0 0 "[ . 1 . 2]" 1
1435 1 29 ASN H 1 29 ASN QB . . 3.460 2.923 2.685 3.388 . 0 0 "[ . 1 . 2]" 1
1436 1 29 ASN QB 1 29 ASN HD21 . . 3.040 2.152 2.088 2.312 . 0 0 "[ . 1 . 2]" 1
1437 1 29 ASN QB 1 29 ASN HD22 . . 3.500 3.262 3.225 3.326 . 0 0 "[ . 1 . 2]" 1
1438 1 29 ASN QB 1 30 ASP H . . 3.320 2.014 1.924 2.222 . 0 0 "[ . 1 . 2]" 1
1439 1 29 ASN QB 1 31 ASP H . . 3.790 2.585 2.293 2.721 . 0 0 "[ . 1 . 2]" 1
1440 1 31 ASP H 1 31 ASP QB . . 3.320 2.709 2.238 2.893 . 0 0 "[ . 1 . 2]" 1
1441 1 31 ASP QB 1 32 GLU H . . 3.670 2.634 2.501 3.299 . 0 0 "[ . 1 . 2]" 1
1442 1 31 ASP QB 1 68 LEU MD1 . . 3.560 3.414 2.987 3.575 0.015 4 0 "[ . 1 . 2]" 1
1443 1 33 LEU HA 1 33 LEU QD . . 2.850 2.547 2.418 2.671 . 0 0 "[ . 1 . 2]" 1
1444 1 33 LEU HA 1 34 GLU QB . . 4.490 4.111 4.090 4.141 . 0 0 "[ . 1 . 2]" 1
1445 1 33 LEU QD 1 34 GLU H . . 3.090 2.294 1.953 2.831 . 0 0 "[ . 1 . 2]" 1
1446 1 33 LEU QD 1 59 THR HA . . 3.660 2.880 2.671 3.147 . 0 0 "[ . 1 . 2]" 1
1447 1 33 LEU QD 1 60 SER H . . 3.380 2.373 1.946 2.776 . 0 0 "[ . 1 . 2]" 1
1448 1 33 LEU QD 1 60 SER QB . . 2.900 2.144 1.867 2.292 . 0 0 "[ . 1 . 2]" 1
1449 1 33 LEU QD 1 65 CYS H . . 4.190 3.441 3.288 3.784 . 0 0 "[ . 1 . 2]" 1
1450 1 33 LEU QD 1 65 CYS QB . . 3.070 1.906 1.776 2.750 . 0 0 "[ . 1 . 2]" 1
1451 1 33 LEU QD 1 66 SER H . . 4.170 3.217 2.763 3.584 . 0 0 "[ . 1 . 2]" 1
1452 1 33 LEU QD 1 66 SER HA . . 3.340 2.683 2.216 3.019 . 0 0 "[ . 1 . 2]" 1
1453 1 33 LEU QD 1 67 GLY H . . 3.310 2.737 2.454 2.931 . 0 0 "[ . 1 . 2]" 1
1454 1 34 GLU H 1 35 LEU QD . . 5.150 4.428 3.899 5.151 0.001 7 0 "[ . 1 . 2]" 1
1455 1 34 GLU HA 1 35 LEU QD . . 4.480 3.635 2.595 4.197 . 0 0 "[ . 1 . 2]" 1
1456 1 34 GLU QB 1 35 LEU H . . 4.030 3.517 3.366 3.735 . 0 0 "[ . 1 . 2]" 1
1457 1 35 LEU H 1 35 LEU QD . . 3.730 3.080 2.271 3.508 . 0 0 "[ . 1 . 2]" 1
1458 1 35 LEU HA 1 35 LEU QD . . 2.830 2.045 1.895 2.426 . 0 0 "[ . 1 . 2]" 1
1459 1 35 LEU QD 1 36 VAL H . . 3.690 3.387 2.932 3.652 . 0 0 "[ . 1 . 2]" 1
1460 1 35 LEU QD 1 69 LEU HA . . 4.330 3.534 3.248 3.741 . 0 0 "[ . 1 . 2]" 1
1461 1 35 LEU QD 1 70 PRO HG3 . . 4.230 3.506 2.845 4.235 0.005 16 0 "[ . 1 . 2]" 1
1462 1 35 LEU QD 1 70 PRO QD . . 3.210 2.200 1.905 2.569 . 0 0 "[ . 1 . 2]" 1
1463 1 35 LEU QD 1 73 TYR H . . 4.950 4.148 3.963 4.822 . 0 0 "[ . 1 . 2]" 1
1464 1 35 LEU QD 1 73 TYR HB2 . . 3.260 2.282 1.935 3.266 0.006 13 0 "[ . 1 . 2]" 1
1465 1 35 LEU QD 1 73 TYR HB3 . . 3.300 2.058 1.855 3.158 . 0 0 "[ . 1 . 2]" 1
1466 1 35 LEU QD 1 73 TYR QE . . 4.960 4.130 3.480 4.829 . 0 0 "[ . 1 . 2]" 1
1467 1 35 LEU QD 1 74 ILE H . . 4.950 4.395 4.222 4.891 . 0 0 "[ . 1 . 2]" 1
1468 1 41 ILE MD 1 60 SER QB . . 3.680 2.998 2.687 3.324 . 0 0 "[ . 1 . 2]" 1
1469 1 42 PHE HA 1 43 MET QB . . 4.670 4.070 4.004 4.121 . 0 0 "[ . 1 . 2]" 1
1470 1 43 MET H 1 43 MET QB . . 3.280 2.354 2.343 2.373 . 0 0 "[ . 1 . 2]" 1
1471 1 43 MET H 1 43 MET QG . . 4.060 4.050 4.033 4.066 0.006 3 0 "[ . 1 . 2]" 1
1472 1 43 MET HA 1 43 MET QG . . 3.330 2.389 2.340 2.463 . 0 0 "[ . 1 . 2]" 1
1473 1 43 MET QB 1 44 SER H . . 4.210 3.560 3.471 3.669 . 0 0 "[ . 1 . 2]" 1
1474 1 43 MET QB 1 58 GLY HA2 . . 5.340 4.209 3.864 4.791 . 0 0 "[ . 1 . 2]" 1
1475 1 43 MET QG 1 44 SER H . . 4.000 3.330 3.178 3.535 . 0 0 "[ . 1 . 2]" 1
1476 1 43 MET QG 1 56 ILE HB . . 4.190 2.641 2.235 2.972 . 0 0 "[ . 1 . 2]" 1
1477 1 43 MET QG 1 56 ILE MG . . 3.260 2.963 2.767 3.169 . 0 0 "[ . 1 . 2]" 1
1478 1 43 MET QG 1 56 ILE MD . . 3.570 3.342 3.033 3.575 0.005 13 0 "[ . 1 . 2]" 1
1479 1 43 MET QG 1 57 TYR H . . 5.260 3.731 3.433 4.607 . 0 0 "[ . 1 . 2]" 1
1480 1 44 SER H 1 47 GLU QB . . 4.990 3.953 3.259 5.006 0.016 20 0 "[ . 1 . 2]" 1
1481 1 44 SER QB 1 45 PRO QD . . 4.210 2.873 2.356 3.317 . 0 0 "[ . 1 . 2]" 1
1482 1 44 SER QB 1 46 MET H . . 4.610 2.910 2.479 3.774 . 0 0 "[ . 1 . 2]" 1
1483 1 44 SER QB 1 47 GLU H . . 3.990 3.090 2.687 3.842 . 0 0 "[ . 1 . 2]" 1
1484 1 44 SER QB 1 47 GLU QB . . 3.810 3.344 2.226 3.822 0.012 8 0 "[ . 1 . 2]" 1
1485 1 44 SER QB 1 47 GLU QG . . 3.290 2.952 1.843 3.297 0.007 3 0 "[ . 1 . 2]" 1
1486 1 44 SER QB 1 57 TYR QD . . 5.340 4.603 3.843 5.251 . 0 0 "[ . 1 . 2]" 1
1487 1 45 PRO HA 1 48 GLN QB . . 3.930 2.787 2.065 3.642 . 0 0 "[ . 1 . 2]" 1
1488 1 45 PRO HA 1 48 GLN QG . . 3.390 2.345 1.812 3.324 . 0 0 "[ . 1 . 2]" 1
1489 1 45 PRO QB 1 46 MET H . . 4.060 3.386 3.088 3.702 . 0 0 "[ . 1 . 2]" 1
1490 1 46 MET H 1 46 MET QB . . 3.070 2.372 2.216 2.552 . 0 0 "[ . 1 . 2]" 1
1491 1 46 MET H 1 46 MET QG . . 3.540 2.553 2.095 3.333 . 0 0 "[ . 1 . 2]" 1
1492 1 46 MET HA 1 46 MET QG . . 3.060 2.508 2.279 3.009 . 0 0 "[ . 1 . 2]" 1
1493 1 46 MET QB 1 47 GLU H . . 3.670 3.119 2.710 3.481 . 0 0 "[ . 1 . 2]" 1
1494 1 46 MET QG 1 47 GLU H . . 5.330 4.329 4.127 4.596 . 0 0 "[ . 1 . 2]" 1
1495 1 47 GLU H 1 47 GLU QB . . 3.150 2.676 2.537 3.184 0.034 8 0 "[ . 1 . 2]" 1
1496 1 47 GLU H 1 48 GLN QB . . 5.340 3.971 3.762 4.583 . 0 0 "[ . 1 . 2]" 1
1497 1 47 GLU QB 1 57 TYR QB . . 4.620 2.996 2.628 3.790 . 0 0 "[ . 1 . 2]" 1
1498 1 47 GLU QB 1 57 TYR QD . . 3.330 2.301 1.885 2.830 . 0 0 "[ . 1 . 2]" 1
1499 1 47 GLU QB 1 57 TYR QE . . 4.200 2.964 2.273 3.487 . 0 0 "[ . 1 . 2]" 1
1500 1 48 GLN H 1 48 GLN QB . . 3.130 2.428 2.153 2.881 . 0 0 "[ . 1 . 2]" 1
1501 1 48 GLN H 1 48 GLN QG . . 3.210 2.483 1.875 3.020 . 0 0 "[ . 1 . 2]" 1
1502 1 48 GLN HA 1 57 TYR QB . . 4.280 2.609 1.925 2.953 . 0 0 "[ . 1 . 2]" 1
1503 1 48 GLN QB 1 49 THR HA . . 4.810 4.424 3.993 4.797 . 0 0 "[ . 1 . 2]" 1
1504 1 48 GLN QB 1 51 THR H . . 5.340 4.007 3.646 4.355 . 0 0 "[ . 1 . 2]" 1
1505 1 48 GLN QB 1 51 THR MG . . 4.360 2.722 1.863 3.252 . 0 0 "[ . 1 . 2]" 1
1506 1 48 GLN QB 1 57 TYR H . . 5.340 4.454 3.111 5.155 . 0 0 "[ . 1 . 2]" 1
1507 1 48 GLN QG 1 51 THR HB . . 5.340 4.538 3.542 5.365 0.025 7 0 "[ . 1 . 2]" 1
1508 1 48 GLN QG 1 52 SER H . . 5.340 5.065 4.373 5.366 0.026 7 0 "[ . 1 . 2]" 1
1509 1 51 THR MG 1 57 TYR QB . . 3.530 2.650 2.463 2.748 . 0 0 "[ . 1 . 2]" 1
1510 1 57 TYR H 1 57 TYR QB . . 3.150 2.297 2.260 2.358 . 0 0 "[ . 1 . 2]" 1
1511 1 57 TYR QB 1 68 LEU MD2 . . 3.090 2.291 2.102 2.555 . 0 0 "[ . 1 . 2]" 1
1512 1 57 TYR QB 1 69 LEU MD2 . . 4.880 4.569 4.426 4.681 . 0 0 "[ . 1 . 2]" 1
1513 1 57 TYR QE 1 66 SER QB . . 3.640 2.588 2.180 3.624 . 0 0 "[ . 1 . 2]" 1
1514 1 58 GLY H 1 66 SER QB . . 5.150 4.857 4.586 5.150 . 3 0 "[ . 1 . 2]" 1
1515 1 59 THR HA 1 66 SER QB . . 4.200 3.165 2.648 3.511 . 0 0 "[ . 1 . 2]" 1
1516 1 59 THR MG 1 64 GLY QA . . 3.240 2.742 2.597 2.833 . 0 0 "[ . 1 . 2]" 1
1517 1 59 THR MG 1 66 SER QB . . 4.070 2.764 2.229 3.863 . 0 0 "[ . 1 . 2]" 1
1518 1 60 SER H 1 60 SER QB . . 2.920 2.221 2.140 2.269 . 0 0 "[ . 1 . 2]" 1
1519 1 60 SER H 1 65 CYS QB . . 4.800 3.980 3.696 4.765 . 0 0 "[ . 1 . 2]" 1
1520 1 60 SER H 1 66 SER QB . . 4.980 4.635 4.169 4.979 . 0 0 "[ . 1 . 2]" 1
1521 1 60 SER QB 1 61 LEU H . . 4.100 3.346 2.963 3.503 . 0 0 "[ . 1 . 2]" 1
1522 1 60 SER QB 1 63 THR H . . 3.610 3.024 2.645 3.347 . 0 0 "[ . 1 . 2]" 1
1523 1 60 SER QB 1 65 CYS H . . 3.340 2.421 2.128 2.705 . 0 0 "[ . 1 . 2]" 1
1524 1 60 SER QB 1 65 CYS QB . . 4.430 3.291 2.786 4.185 . 0 0 "[ . 1 . 2]" 1
1525 1 63 THR H 1 64 GLY QA . . 4.670 4.206 4.042 4.374 . 0 0 "[ . 1 . 2]" 1
1526 1 64 GLY H 1 65 CYS QB . . 4.940 4.233 3.915 4.571 . 0 0 "[ . 1 . 2]" 1
1527 1 65 CYS H 1 65 CYS QB . . 3.010 2.391 2.251 2.790 . 0 0 "[ . 1 . 2]" 1
1528 1 65 CYS HA 1 66 SER QB . . 4.440 4.244 3.987 4.448 0.008 8 0 "[ . 1 . 2]" 1
1529 1 65 CYS QB 1 66 SER H . . 3.170 2.748 2.090 3.171 0.001 2 0 "[ . 1 . 2]" 1
1530 1 66 SER H 1 66 SER QB . . 3.160 2.920 2.416 3.069 . 0 0 "[ . 1 . 2]" 1
1531 1 66 SER QB 1 67 GLY H . . 3.400 2.968 2.611 3.414 0.014 1 0 "[ . 1 . 2]" 1
1532 1 66 SER QB 1 67 GLY HA2 . . 4.580 4.153 3.943 4.524 . 0 0 "[ . 1 . 2]" 1
1533 1 76 LYS H 1 76 LYS QG . . 3.550 3.063 2.544 3.578 0.028 14 0 "[ . 1 . 2]" 1
1534 1 76 LYS HA 1 76 LYS QG . . 3.340 2.326 2.180 2.573 . 0 0 "[ . 1 . 2]" 1
1535 1 76 LYS QE 1 76 LYS QG . . 3.010 2.250 2.077 2.646 . 0 0 "[ . 1 . 2]" 1
1536 1 76 LYS QG 1 77 ALA H . . 4.100 3.746 3.393 4.101 0.001 16 0 "[ . 1 . 2]" 1
1537 1 82 THR HA 1 85 PHE QB . . 4.790 4.291 3.648 4.757 . 0 0 "[ . 1 . 2]" 1
1538 1 83 TRP QB 1 84 ILE QG . . 4.380 3.398 3.180 3.544 . 0 0 "[ . 1 . 2]" 1
1539 1 83 TRP HD1 1 84 ILE QG . . 4.770 4.316 4.098 4.565 . 0 0 "[ . 1 . 2]" 1
1540 1 83 TRP HD1 1 85 PHE QB . . 4.770 4.394 4.093 4.809 0.039 5 0 "[ . 1 . 2]" 1
1541 1 83 TRP HE3 1 84 ILE QG . . 4.850 2.825 2.446 3.170 . 0 0 "[ . 1 . 2]" 1
1542 1 83 TRP HE1 1 84 ILE QG . . 4.660 4.033 3.661 4.411 . 0 0 "[ . 1 . 2]" 1
1543 1 83 TRP HE1 1 85 PHE QB . . 5.340 5.137 4.734 5.348 0.008 5 0 "[ . 1 . 2]" 1
1544 1 83 TRP HZ3 1 84 ILE QG . . 4.770 3.337 2.780 3.819 . 0 0 "[ . 1 . 2]" 1
1545 1 83 TRP HZ2 1 84 ILE QG . . 4.730 3.600 3.022 4.022 . 0 0 "[ . 1 . 2]" 1
1546 1 83 TRP HH2 1 84 ILE QG . . 4.560 3.533 3.014 4.197 . 0 0 "[ . 1 . 2]" 1
1547 1 84 ILE H 1 84 ILE QG . . 3.630 3.157 2.999 3.228 . 0 0 "[ . 1 . 2]" 1
1548 1 84 ILE HA 1 84 ILE QG . . 3.300 2.524 2.215 2.781 . 0 0 "[ . 1 . 2]" 1
1549 1 84 ILE HA 1 85 PHE QB . . 5.340 5.255 4.347 5.383 0.043 9 0 "[ . 1 . 2]" 1
1550 1 85 PHE H 1 85 PHE QB . . 3.320 2.501 2.180 3.073 . 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 40
_Distance_constraint_stats_list.Viol_count 800
_Distance_constraint_stats_list.Viol_total 6090.950
_Distance_constraint_stats_list.Viol_max 0.815
_Distance_constraint_stats_list.Viol_rms 0.1558
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3807
_Distance_constraint_stats_list.Viol_average_violations_only 0.3807
_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 17 GLU 59.797 0.769 17 15 "[****.**-** ****+ *]"
1 19 LEU 55.515 0.590 19 10 "[ * -** *1** ** +2]"
1 20 GLN 43.076 0.513 17 14 "[ -*****1******+* 2]"
1 41 ILE 55.515 0.590 19 10 "[ * -** *1** ** +2]"
1 43 MET 59.797 0.769 17 15 "[****.**-** ****+ *]"
1 56 ILE 62.459 0.617 13 20 [************+******-]
1 58 GLY 83.700 0.815 19 20 [******-***********+*]
1 67 GLY 83.700 0.815 19 20 [******-***********+*]
1 69 LEU 62.459 0.617 13 20 [************+******-]
1 75 THR 43.076 0.513 17 14 "[ -*****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 17 GLU H 1 43 MET O . . 1.700 1.977 1.819 2.179 0.479 17 0 "[ . 1 . 2]" 2
2 1 17 GLU H 1 43 MET C . . 2.600 3.116 2.893 3.369 0.769 17 12 "[** .***** **.-+ *]" 2
3 1 17 GLU N 1 43 MET O . . 2.600 2.909 2.772 3.110 0.510 17 1 "[ . 1 . + 2]" 2
4 1 17 GLU N 1 43 MET C . . 3.600 4.030 3.866 4.257 0.657 17 6 "[** . *- * . + 2]" 2
5 1 19 LEU H 1 41 ILE O . . 1.700 2.084 1.845 2.208 0.508 12 2 "[ - 1 + . 2]" 2
6 1 19 LEU H 1 41 ILE C . . 2.600 3.079 2.924 3.183 0.583 5 8 "[ * +* *1-* *. *2]" 2
7 1 19 LEU N 1 41 ILE O . . 2.600 2.962 2.728 3.097 0.497 19 0 "[ . 1 . 2]" 2
8 1 19 LEU N 1 41 ILE C . . 3.600 4.026 3.852 4.132 0.532 5 3 "[ + -1 . *2]" 2
9 1 17 GLU O 1 43 MET H . . 1.700 2.081 1.814 2.203 0.503 15 4 "[ -*. 1 * + 2]" 2
10 1 17 GLU C 1 43 MET H . . 2.600 2.968 2.696 3.192 0.592 2 3 "[ + . * - . 2]" 2
11 1 17 GLU O 1 43 MET N . . 2.600 2.984 2.749 3.107 0.507 3 1 "[ + . 1 . 2]" 2
12 1 17 GLU C 1 43 MET N . . 3.600 3.925 3.674 4.132 0.532 2 1 "[ + . 1 . 2]" 2
13 1 19 LEU O 1 41 ILE H . . 1.700 1.952 1.859 2.109 0.409 19 0 "[ . 1 . 2]" 2
14 1 19 LEU C 1 41 ILE H . . 2.600 3.048 2.972 3.190 0.590 19 3 "[ -. 1 * +2]" 2
15 1 19 LEU O 1 41 ILE N . . 2.600 2.740 2.616 2.930 0.330 19 0 "[ . 1 . 2]" 2
16 1 19 LEU C 1 41 ILE N . . 3.600 3.885 3.768 4.059 0.459 19 0 "[ . 1 . 2]" 2
17 1 56 ILE H 1 69 LEU O . . 1.700 2.102 1.954 2.202 0.502 14 2 "[ . 1 +. -]" 2
18 1 56 ILE H 1 69 LEU C . . 2.600 3.136 2.998 3.217 0.617 13 17 "[*******-*1**+*.*** *]" 2
19 1 56 ILE N 1 69 LEU O . . 2.600 2.795 2.644 2.873 0.273 14 0 "[ . 1 . 2]" 2
20 1 56 ILE N 1 69 LEU C . . 3.600 3.947 3.807 4.010 0.410 13 0 "[ . 1 . 2]" 2
21 1 56 ILE O 1 69 LEU H . . 1.700 2.169 2.007 2.215 0.515 6 11 "[* **.+-* ** * ** 2]" 2
22 1 56 ILE C 1 69 LEU H . . 2.600 3.018 2.919 3.119 0.519 19 1 "[ . 1 . +2]" 2
23 1 56 ILE O 1 69 LEU N . . 2.600 3.002 2.873 3.074 0.474 13 0 "[ . 1 . 2]" 2
24 1 56 ILE C 1 69 LEU N . . 3.600 3.954 3.856 4.041 0.441 1 0 "[ . 1 . 2]" 2
25 1 58 GLY H 1 67 GLY O . . 1.700 2.092 1.920 2.206 0.506 1 4 "[+ * 1 - . *2]" 2
26 1 58 GLY H 1 67 GLY C . . 2.600 3.302 3.143 3.415 0.815 19 20 [**-***************+*] 2
27 1 58 GLY N 1 67 GLY O . . 2.600 3.010 2.826 3.155 0.555 1 6 "[+* * 1 -* . *2]" 2
28 1 58 GLY N 1 67 GLY C . . 3.600 4.187 4.023 4.303 0.703 1 16 "[+* *****-****.* ***]" 2
29 1 58 GLY O 1 67 GLY H . . 1.700 2.078 1.939 2.176 0.476 20 0 "[ . 1 . 2]" 2
30 1 58 GLY C 1 67 GLY H . . 2.600 3.273 3.159 3.359 0.759 2 20 [*+-*****************] 2
31 1 58 GLY O 1 67 GLY N . . 2.600 3.017 2.903 3.130 0.530 8 4 "[ * . -+ 1 . *]" 2
32 1 58 GLY C 1 67 GLY N . . 3.600 4.226 4.113 4.320 0.720 2 20 [*+*-****************] 2
33 1 20 GLN H 1 75 THR O . . 1.700 1.806 1.791 1.858 0.158 20 0 "[ . 1 . 2]" 2
34 1 20 GLN H 1 75 THR C . . 2.600 2.876 2.831 2.991 0.391 20 0 "[ . 1 . 2]" 2
35 1 20 GLN N 1 75 THR O . . 2.600 2.692 2.668 2.773 0.173 20 0 "[ . 1 . 2]" 2
36 1 20 GLN N 1 75 THR C . . 3.600 3.805 3.765 3.922 0.322 20 0 "[ . 1 . 2]" 2
37 1 20 GLN O 1 75 THR H . . 1.700 2.199 2.170 2.213 0.513 17 12 "[ -.* **1******+* 2]" 2
38 1 20 GLN C 1 75 THR H . . 2.600 3.057 2.971 3.110 0.510 7 2 "[ - + 1 . 2]" 2
39 1 20 GLN O 1 75 THR N . . 2.600 2.845 2.760 2.924 0.324 14 0 "[ . 1 . 2]" 2
40 1 20 GLN C 1 75 THR N . . 3.600 3.874 3.789 3.949 0.349 14 0 "[ . 1 . 2]" 2
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