NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402359 |
1wey   |
10082 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wey
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 1620
_Distance_constraint_stats_list.Viol_count 257
_Distance_constraint_stats_list.Viol_total 16.944
_Distance_constraint_stats_list.Viol_max 0.063
_Distance_constraint_stats_list.Viol_rms 0.0006
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0033
_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 6 SER 0.004 0.001 15 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 0.014 0.003 8 0 "[ . 1 . 2]"
1 9 ILE 0.002 0.001 15 0 "[ . 1 . 2]"
1 10 ALA 0.004 0.004 20 0 "[ . 1 . 2]"
1 11 CYS 0.002 0.001 19 0 "[ . 1 . 2]"
1 12 VAL 0.011 0.004 20 0 "[ . 1 . 2]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ASN 0.018 0.006 13 0 "[ . 1 . 2]"
1 15 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ASP 0.011 0.004 16 0 "[ . 1 . 2]"
1 17 VAL 0.001 0.001 15 0 "[ . 1 . 2]"
1 18 PHE 0.015 0.003 17 0 "[ . 1 . 2]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 THR 0.008 0.004 8 0 "[ . 1 . 2]"
1 24 ARG 0.002 0.001 20 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 0.024 0.008 17 0 "[ . 1 . 2]"
1 27 PHE 0.013 0.003 17 0 "[ . 1 . 2]"
1 28 GLU 0.009 0.002 13 0 "[ . 1 . 2]"
1 29 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LEU 0.015 0.004 14 0 "[ . 1 . 2]"
1 31 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ARG 0.004 0.003 15 0 "[ . 1 . 2]"
1 33 THR 0.002 0.002 15 0 "[ . 1 . 2]"
1 34 TYR 0.028 0.006 9 0 "[ . 1 . 2]"
1 35 ASP 0.012 0.003 16 0 "[ . 1 . 2]"
1 36 LYS 0.003 0.003 16 0 "[ . 1 . 2]"
1 37 ASP 0.000 0.000 13 0 "[ . 1 . 2]"
1 38 THR 0.002 0.002 15 0 "[ . 1 . 2]"
1 39 THR 0.005 0.005 17 0 "[ . 1 . 2]"
1 40 PHE 0.005 0.002 13 0 "[ . 1 . 2]"
1 41 GLN 0.005 0.003 15 0 "[ . 1 . 2]"
1 42 TYR 0.002 0.001 14 0 "[ . 1 . 2]"
1 43 PHE 0.010 0.005 14 0 "[ . 1 . 2]"
1 44 LYS 0.008 0.003 17 0 "[ . 1 . 2]"
1 45 SER 0.064 0.063 1 0 "[ . 1 . 2]"
1 46 PHE 0.002 0.002 12 0 "[ . 1 . 2]"
1 47 LYS 0.000 0.000 16 0 "[ . 1 . 2]"
1 48 ARG 0.003 0.003 17 0 "[ . 1 . 2]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ARG 0.008 0.005 14 0 "[ . 1 . 2]"
1 51 ILE 0.000 0.000 17 0 "[ . 1 . 2]"
1 52 ASN 0.011 0.005 17 0 "[ . 1 . 2]"
1 53 PHE 0.009 0.006 17 0 "[ . 1 . 2]"
1 54 SER 0.000 0.000 13 0 "[ . 1 . 2]"
1 55 ASN 0.003 0.002 3 0 "[ . 1 . 2]"
1 56 PRO 0.004 0.001 15 0 "[ . 1 . 2]"
1 57 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 SER 0.019 0.006 17 0 "[ . 1 . 2]"
1 59 ALA 0.006 0.004 9 0 "[ . 1 . 2]"
1 60 ALA 0.033 0.012 9 0 "[ . 1 . 2]"
1 61 ASP 0.009 0.003 10 0 "[ . 1 . 2]"
1 62 ALA 0.012 0.006 9 0 "[ . 1 . 2]"
1 63 ARG 0.031 0.007 9 0 "[ . 1 . 2]"
1 64 LEU 0.032 0.012 9 0 "[ . 1 . 2]"
1 65 ARG 0.077 0.008 2 0 "[ . 1 . 2]"
1 66 LEU 0.178 0.016 20 0 "[ . 1 . 2]"
1 67 HIS 0.052 0.005 18 0 "[ . 1 . 2]"
1 68 LYS 0.027 0.005 19 0 "[ . 1 . 2]"
1 69 THR 0.202 0.016 20 0 "[ . 1 . 2]"
1 70 GLU 0.081 0.020 15 0 "[ . 1 . 2]"
1 71 PHE 0.119 0.020 15 0 "[ . 1 . 2]"
1 72 LEU 0.027 0.004 9 0 "[ . 1 . 2]"
1 73 GLY 0.008 0.006 20 0 "[ . 1 . 2]"
1 74 LYS 0.011 0.005 9 0 "[ . 1 . 2]"
1 75 GLU 0.008 0.005 12 0 "[ . 1 . 2]"
1 76 MET 0.049 0.007 14 0 "[ . 1 . 2]"
1 77 LYS 0.029 0.005 18 0 "[ . 1 . 2]"
1 78 LEU 0.000 0.000 10 0 "[ . 1 . 2]"
1 79 TYR 0.005 0.002 8 0 "[ . 1 . 2]"
1 80 PHE 0.009 0.003 3 0 "[ . 1 . 2]"
1 81 ALA 0.004 0.003 3 0 "[ . 1 . 2]"
1 82 GLN 0.001 0.001 15 0 "[ . 1 . 2]"
1 83 THR 0.018 0.016 7 0 "[ . 1 . 2]"
1 84 LEU 0.054 0.026 8 0 "[ . 1 . 2]"
1 85 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ILE 0.019 0.019 15 0 "[ . 1 . 2]"
1 87 GLY 0.019 0.019 15 0 "[ . 1 . 2]"
1 88 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LEU 0.001 0.001 11 0 "[ . 1 . 2]"
1 92 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 LEU H 1 51 ILE H . . 3.370 2.923 2.600 3.168 . 0 0 "[ . 1 . 2]" 1
2 1 50 ARG HA 1 51 ILE H . . 3.100 2.147 2.140 2.171 . 0 0 "[ . 1 . 2]" 1
3 1 9 ILE HA 1 10 ALA H . . 3.300 2.199 2.174 2.215 . 0 0 "[ . 1 . 2]" 1
4 1 70 GLU HA 1 76 MET H . . 4.400 3.978 3.685 4.341 . 0 0 "[ . 1 . 2]" 1
5 1 68 LYS HA 1 76 MET H . . 3.770 3.672 3.363 3.772 0.002 14 0 "[ . 1 . 2]" 1
6 1 41 GLN H 1 50 ARG H . . 4.130 3.123 2.670 3.417 . 0 0 "[ . 1 . 2]" 1
7 1 43 PHE QD 1 50 ARG H . . 4.630 3.809 3.098 4.454 . 0 0 "[ . 1 . 2]" 1
8 1 43 PHE QE 1 50 ARG H . . 4.780 3.141 2.060 3.881 . 0 0 "[ . 1 . 2]" 1
9 1 49 VAL HA 1 50 ARG H . . 3.190 2.157 2.141 2.185 . 0 0 "[ . 1 . 2]" 1
10 1 50 ARG H 1 50 ARG HB2 . . 3.850 2.628 2.136 3.120 . 0 0 "[ . 1 . 2]" 1
11 1 41 GLN QB 1 50 ARG H . . 3.430 2.884 2.683 3.162 . 0 0 "[ . 1 . 2]" 1
12 1 50 ARG H 1 50 ARG HB3 . . 3.850 2.680 2.284 3.237 . 0 0 "[ . 1 . 2]" 1
13 1 36 LYS H 1 36 LYS QB . . 3.910 2.511 2.357 2.822 . 0 0 "[ . 1 . 2]" 1
14 1 70 GLU HA 1 71 PHE H . . 3.160 2.241 2.191 2.291 . 0 0 "[ . 1 . 2]" 1
15 1 71 PHE H 1 71 PHE QB . . 3.670 2.214 2.143 2.238 . 0 0 "[ . 1 . 2]" 1
16 1 75 GLU H 1 75 GLU HB2 . . 3.810 2.832 2.628 2.995 . 0 0 "[ . 1 . 2]" 1
17 1 52 ASN H 1 52 ASN HB2 . . 4.010 2.372 2.150 2.778 . 0 0 "[ . 1 . 2]" 1
18 1 51 ILE HA 1 52 ASN H . . 2.980 2.158 2.139 2.177 . 0 0 "[ . 1 . 2]" 1
19 1 8 LEU HA 1 81 ALA H . . 3.640 2.264 1.903 3.315 . 0 0 "[ . 1 . 2]" 1
20 1 81 ALA H 1 81 ALA MB . . 3.220 2.188 2.029 2.748 . 0 0 "[ . 1 . 2]" 1
21 1 42 TYR H 1 42 TYR QD . . 3.610 2.345 1.931 2.723 . 0 0 "[ . 1 . 2]" 1
22 1 41 GLN HA 1 42 TYR H . . 3.140 2.159 2.151 2.165 . 0 0 "[ . 1 . 2]" 1
23 1 42 TYR H 1 42 TYR QB . . 3.420 2.359 2.309 2.425 . 0 0 "[ . 1 . 2]" 1
24 1 41 GLN QB 1 42 TYR H . . 4.290 3.776 3.627 3.933 . 0 0 "[ . 1 . 2]" 1
25 1 11 CYS HA 1 12 VAL H . . 3.250 2.152 2.140 2.169 . 0 0 "[ . 1 . 2]" 1
26 1 10 ALA HA 1 11 CYS H . . 3.090 2.159 2.142 2.234 . 0 0 "[ . 1 . 2]" 1
27 1 11 CYS H 1 11 CYS HB3 . . 3.910 2.845 2.403 3.500 . 0 0 "[ . 1 . 2]" 1
28 1 67 HIS H 1 67 HIS HB3 . . 4.030 3.874 3.867 3.880 . 0 0 "[ . 1 . 2]" 1
29 1 67 HIS H 1 67 HIS HB2 . . 3.300 3.262 3.255 3.274 . 0 0 "[ . 1 . 2]" 1
30 1 23 THR H 1 24 ARG H . . 4.340 2.980 2.927 3.157 . 0 0 "[ . 1 . 2]" 1
31 1 24 ARG H 1 25 ALA H . . 4.610 2.897 2.736 3.072 . 0 0 "[ . 1 . 2]" 1
32 1 18 PHE QE 1 43 PHE H . . 3.740 3.032 2.545 3.365 . 0 0 "[ . 1 . 2]" 1
33 1 43 PHE H 1 43 PHE HB3 . . 3.830 3.734 3.688 3.758 . 0 0 "[ . 1 . 2]" 1
34 1 43 PHE H 1 43 PHE QD . . 3.670 3.154 2.528 3.503 . 0 0 "[ . 1 . 2]" 1
35 1 76 MET HA 1 77 LYS H . . 3.110 2.256 2.150 2.371 . 0 0 "[ . 1 . 2]" 1
36 1 77 LYS H 1 77 LYS HB2 . . 3.560 2.309 2.204 2.444 . 0 0 "[ . 1 . 2]" 1
37 1 40 PHE HA 1 41 GLN H . . 3.130 2.172 2.142 2.225 . 0 0 "[ . 1 . 2]" 1
38 1 27 PHE H 1 71 PHE QE . . 4.140 3.736 3.281 4.046 . 0 0 "[ . 1 . 2]" 1
39 1 26 LYS HB2 1 27 PHE H . . 4.080 2.710 2.299 2.978 . 0 0 "[ . 1 . 2]" 1
40 1 58 SER H 1 59 ALA H . . 3.350 2.878 2.729 2.985 . 0 0 "[ . 1 . 2]" 1
41 1 59 ALA H 1 60 ALA H . . 3.420 2.933 2.814 3.016 . 0 0 "[ . 1 . 2]" 1
42 1 58 SER HB3 1 59 ALA H . . 3.820 2.665 2.457 2.959 . 0 0 "[ . 1 . 2]" 1
43 1 58 SER HB2 1 59 ALA H . . 3.850 3.215 3.001 3.357 . 0 0 "[ . 1 . 2]" 1
44 1 59 ALA H 1 59 ALA MB . . 3.090 2.222 2.153 2.271 . 0 0 "[ . 1 . 2]" 1
45 1 53 PHE H 1 53 PHE QD . . 3.410 2.007 1.899 2.180 . 0 0 "[ . 1 . 2]" 1
46 1 7 GLY HA2 1 53 PHE H . . 4.640 2.994 2.801 3.189 . 0 0 "[ . 1 . 2]" 1
47 1 52 ASN HA 1 53 PHE H . . 3.160 2.164 2.140 2.194 . 0 0 "[ . 1 . 2]" 1
48 1 53 PHE H 1 53 PHE HB3 . . 4.030 3.706 3.653 3.742 . 0 0 "[ . 1 . 2]" 1
49 1 53 PHE H 1 53 PHE HB2 . . 3.630 2.570 2.480 2.635 . 0 0 "[ . 1 . 2]" 1
50 1 67 HIS HA 1 68 LYS H . . 3.170 3.013 2.992 3.038 . 0 0 "[ . 1 . 2]" 1
51 1 68 LYS H 1 68 LYS HB2 . . 3.960 2.578 2.474 2.786 . 0 0 "[ . 1 . 2]" 1
52 1 9 ILE H 1 9 ILE HB . . 3.420 2.611 2.507 2.734 . 0 0 "[ . 1 . 2]" 1
53 1 8 LEU HB3 1 9 ILE H . . 3.680 3.186 2.840 3.420 . 0 0 "[ . 1 . 2]" 1
54 1 9 ILE H 1 81 ALA MB . . 3.990 3.358 2.781 3.901 . 0 0 "[ . 1 . 2]" 1
55 1 48 ARG QG 1 49 VAL H . . 4.020 3.164 2.837 3.506 . 0 0 "[ . 1 . 2]" 1
56 1 56 PRO HD2 1 57 LEU H . . 3.620 2.893 2.649 3.045 . 0 0 "[ . 1 . 2]" 1
57 1 57 LEU H 1 57 LEU HB2 . . 2.920 2.392 2.180 2.650 . 0 0 "[ . 1 . 2]" 1
58 1 57 LEU H 1 57 LEU HG . . 2.990 2.643 2.083 2.984 . 0 0 "[ . 1 . 2]" 1
59 1 61 ASP H 1 62 ALA H . . 3.370 2.818 2.684 2.980 . 0 0 "[ . 1 . 2]" 1
60 1 30 LEU H 1 30 LEU HG . . 3.240 2.347 1.927 2.640 . 0 0 "[ . 1 . 2]" 1
61 1 30 LEU H 1 30 LEU HB2 . . 3.770 2.442 2.283 2.754 . 0 0 "[ . 1 . 2]" 1
62 1 30 LEU H 1 30 LEU HB3 . . 3.770 3.574 3.542 3.591 . 0 0 "[ . 1 . 2]" 1
63 1 10 ALA H 1 49 VAL H . . 4.380 3.463 2.946 3.608 . 0 0 "[ . 1 . 2]" 1
64 1 61 ASP HB2 1 62 ALA H . . 3.630 3.293 2.983 3.599 . 0 0 "[ . 1 . 2]" 1
65 1 80 PHE H 1 80 PHE QD . . 4.100 3.287 2.517 3.804 . 0 0 "[ . 1 . 2]" 1
66 1 79 TYR HA 1 80 PHE H . . 3.340 2.239 2.150 2.504 . 0 0 "[ . 1 . 2]" 1
67 1 79 TYR HB3 1 80 PHE H . . 3.600 2.933 2.219 3.289 . 0 0 "[ . 1 . 2]" 1
68 1 80 PHE H 1 80 PHE HB3 . . 4.000 3.441 3.282 3.511 . 0 0 "[ . 1 . 2]" 1
69 1 79 TYR HB2 1 80 PHE H . . 4.190 4.014 3.411 4.192 0.002 8 0 "[ . 1 . 2]" 1
70 1 29 SER HA 1 32 ARG H . . 4.050 3.675 3.253 3.975 . 0 0 "[ . 1 . 2]" 1
71 1 32 ARG H 1 33 THR H . . 3.630 2.927 2.796 3.011 . 0 0 "[ . 1 . 2]" 1
72 1 31 PHE H 1 32 ARG H . . 3.280 2.486 2.230 2.736 . 0 0 "[ . 1 . 2]" 1
73 1 7 GLY HA2 1 8 LEU H . . 3.490 2.367 2.254 2.480 . 0 0 "[ . 1 . 2]" 1
74 1 7 GLY HA3 1 8 LEU H . . 3.490 2.785 2.650 2.937 . 0 0 "[ . 1 . 2]" 1
75 1 8 LEU H 1 8 LEU HB2 . . 3.750 2.715 2.545 2.820 . 0 0 "[ . 1 . 2]" 1
76 1 8 LEU H 1 81 ALA MB . . 3.980 3.188 2.800 3.928 . 0 0 "[ . 1 . 2]" 1
77 1 78 LEU HA 1 79 TYR H . . 3.030 2.176 2.146 2.242 . 0 0 "[ . 1 . 2]" 1
78 1 78 LEU HB3 1 79 TYR H . . 4.510 3.208 2.896 3.393 . 0 0 "[ . 1 . 2]" 1
79 1 9 ILE H 1 79 TYR H . . 3.840 2.916 2.626 3.232 . 0 0 "[ . 1 . 2]" 1
80 1 69 THR HA 1 70 GLU H . . 3.080 2.155 2.143 2.176 . 0 0 "[ . 1 . 2]" 1
81 1 60 ALA H 1 61 ASP H . . 3.340 2.747 2.555 2.844 . 0 0 "[ . 1 . 2]" 1
82 1 74 LYS H 1 74 LYS QG . . 3.600 2.944 2.544 3.486 . 0 0 "[ . 1 . 2]" 1
83 1 71 PHE H 1 74 LYS H . . 4.140 3.853 3.356 4.081 . 0 0 "[ . 1 . 2]" 1
84 1 72 LEU H 1 74 LYS H . . 4.600 4.226 3.134 4.483 . 0 0 "[ . 1 . 2]" 1
85 1 73 GLY H 1 74 LYS H . . 3.690 2.614 2.398 2.744 . 0 0 "[ . 1 . 2]" 1
86 1 74 LYS H 1 74 LYS HB2 . . 3.370 2.457 2.227 2.610 . 0 0 "[ . 1 . 2]" 1
87 1 70 GLU HG2 1 74 LYS H . . 4.490 4.351 3.888 4.495 0.005 9 0 "[ . 1 . 2]" 1
88 1 32 ARG HA 1 35 ASP H . . 3.950 3.648 3.496 3.827 . 0 0 "[ . 1 . 2]" 1
89 1 34 TYR HB2 1 35 ASP H . . 3.820 1.909 1.898 1.983 . 0 0 "[ . 1 . 2]" 1
90 1 16 ASP QB 1 17 VAL H . . 3.870 2.800 2.369 3.108 . 0 0 "[ . 1 . 2]" 1
91 1 40 PHE H 1 40 PHE QD . . 3.450 2.174 1.966 2.500 . 0 0 "[ . 1 . 2]" 1
92 1 40 PHE H 1 40 PHE HB2 . . 4.140 2.611 2.555 2.682 . 0 0 "[ . 1 . 2]" 1
93 1 39 THR HA 1 40 PHE H . . 3.120 2.186 2.155 2.244 . 0 0 "[ . 1 . 2]" 1
94 1 46 PHE H 1 47 LYS H . . 3.580 2.320 1.905 2.525 . 0 0 "[ . 1 . 2]" 1
95 1 34 TYR H 1 34 TYR HB3 . . 3.860 3.604 3.570 3.666 . 0 0 "[ . 1 . 2]" 1
96 1 34 TYR H 1 34 TYR HB2 . . 3.380 2.686 2.576 2.752 . 0 0 "[ . 1 . 2]" 1
97 1 64 LEU H 1 64 LEU MD1 . . 4.720 4.184 4.067 4.323 . 0 0 "[ . 1 . 2]" 1
98 1 63 ARG QB 1 64 LEU H . . 3.120 2.286 2.039 2.686 . 0 0 "[ . 1 . 2]" 1
99 1 64 LEU H 1 64 LEU QB . . 2.900 2.095 2.029 2.169 . 0 0 "[ . 1 . 2]" 1
100 1 54 SER H 1 54 SER HB3 . . 3.990 2.523 2.287 2.884 . 0 0 "[ . 1 . 2]" 1
101 1 53 PHE HB2 1 54 SER H . . 4.050 3.252 3.012 3.559 . 0 0 "[ . 1 . 2]" 1
102 1 53 PHE HA 1 54 SER H . . 3.440 2.561 2.397 2.649 . 0 0 "[ . 1 . 2]" 1
103 1 53 PHE HB3 1 54 SER H . . 3.790 2.150 1.985 2.465 . 0 0 "[ . 1 . 2]" 1
104 1 63 ARG H 1 63 ARG QB . . 3.000 2.243 2.145 2.333 . 0 0 "[ . 1 . 2]" 1
105 1 62 ALA MB 1 63 ARG H . . 3.390 2.697 2.369 2.938 . 0 0 "[ . 1 . 2]" 1
106 1 8 LEU MD1 1 63 ARG H . . 4.790 3.504 3.057 3.729 . 0 0 "[ . 1 . 2]" 1
107 1 27 PHE HB2 1 28 GLU H . . 4.290 4.048 3.768 4.286 . 0 0 "[ . 1 . 2]" 1
108 1 27 PHE QD 1 28 GLU H . . 4.270 2.866 2.362 3.228 . 0 0 "[ . 1 . 2]" 1
109 1 25 ALA HA 1 28 GLU H . . 4.240 3.215 2.958 3.803 . 0 0 "[ . 1 . 2]" 1
110 1 28 GLU H 1 28 GLU HG3 . . 3.720 3.250 2.908 3.517 . 0 0 "[ . 1 . 2]" 1
111 1 28 GLU H 1 28 GLU HB3 . . 4.030 3.400 3.311 3.502 . 0 0 "[ . 1 . 2]" 1
112 1 28 GLU H 1 28 GLU HG2 . . 4.270 4.158 3.919 4.272 0.002 15 0 "[ . 1 . 2]" 1
113 1 58 SER H 1 58 SER HB2 . . 3.380 2.087 2.074 2.112 . 0 0 "[ . 1 . 2]" 1
114 1 57 LEU HB2 1 58 SER H . . 3.440 2.151 1.961 2.413 . 0 0 "[ . 1 . 2]" 1
115 1 57 LEU HB3 1 58 SER H . . 3.590 3.036 2.819 3.425 . 0 0 "[ . 1 . 2]" 1
116 1 13 ALA H 1 14 ASN H . . 3.750 2.129 1.936 2.283 . 0 0 "[ . 1 . 2]" 1
117 1 14 ASN H 1 14 ASN QB . . 3.330 2.197 2.083 2.589 . 0 0 "[ . 1 . 2]" 1
118 1 65 ARG H 1 65 ARG QB . . 2.890 2.172 2.136 2.266 . 0 0 "[ . 1 . 2]" 1
119 1 65 ARG H 1 65 ARG HG3 . . 3.890 3.302 3.018 3.388 . 0 0 "[ . 1 . 2]" 1
120 1 54 SER H 1 55 ASN H . . 3.480 2.214 2.094 2.403 . 0 0 "[ . 1 . 2]" 1
121 1 54 SER HB3 1 55 ASN H . . 4.540 3.622 3.084 4.253 . 0 0 "[ . 1 . 2]" 1
122 1 53 PHE HB3 1 55 ASN H . . 3.310 2.593 2.449 2.718 . 0 0 "[ . 1 . 2]" 1
123 1 43 PHE HB2 1 48 ARG H . . 3.340 2.324 1.982 2.793 . 0 0 "[ . 1 . 2]" 1
124 1 66 LEU H 1 67 HIS H . . 4.200 4.109 4.076 4.138 . 0 0 "[ . 1 . 2]" 1
125 1 66 LEU H 1 66 LEU HB2 . . 3.580 2.807 2.661 2.933 . 0 0 "[ . 1 . 2]" 1
126 1 66 LEU H 1 66 LEU HG . . 3.380 2.661 2.354 2.866 . 0 0 "[ . 1 . 2]" 1
127 1 48 ARG H 1 48 ARG QG . . 3.840 3.449 3.233 3.647 . 0 0 "[ . 1 . 2]" 1
128 1 18 PHE HZ 1 48 ARG H . . 4.470 4.106 3.414 4.473 0.003 17 0 "[ . 1 . 2]" 1
129 1 46 PHE H 1 48 ARG H . . 4.640 3.509 3.299 4.181 . 0 0 "[ . 1 . 2]" 1
130 1 29 SER H 1 30 LEU H . . 3.640 2.936 2.655 3.030 . 0 0 "[ . 1 . 2]" 1
131 1 29 SER H 1 29 SER QB . . 2.930 2.312 2.235 2.609 . 0 0 "[ . 1 . 2]" 1
132 1 28 GLU HB2 1 29 SER H . . 3.750 2.682 2.439 2.925 . 0 0 "[ . 1 . 2]" 1
133 1 28 GLU HB3 1 29 SER H . . 4.040 2.688 2.479 2.983 . 0 0 "[ . 1 . 2]" 1
134 1 28 GLU H 1 29 SER H . . 3.650 2.792 2.574 3.118 . 0 0 "[ . 1 . 2]" 1
135 1 39 THR H 1 52 ASN H . . 3.710 3.272 2.969 3.519 . 0 0 "[ . 1 . 2]" 1
136 1 38 THR HA 1 39 THR H . . 2.960 2.150 2.140 2.195 . 0 0 "[ . 1 . 2]" 1
137 1 39 THR H 1 52 ASN HB2 . . 4.500 3.571 2.819 4.159 . 0 0 "[ . 1 . 2]" 1
138 1 39 THR H 1 39 THR MG . . 3.960 2.533 2.227 2.823 . 0 0 "[ . 1 . 2]" 1
139 1 38 THR MG 1 39 THR H . . 3.910 3.516 3.206 3.691 . 0 0 "[ . 1 . 2]" 1
140 1 14 ASN HD21 1 72 LEU HB3 . . 4.460 3.478 2.415 4.406 . 0 0 "[ . 1 . 2]" 1
141 1 38 THR H 1 38 THR HG1 . . 3.150 2.343 1.922 3.023 . 0 0 "[ . 1 . 2]" 1
142 1 38 THR H 1 38 THR MG . . 3.640 3.121 2.952 3.250 . 0 0 "[ . 1 . 2]" 1
143 1 37 ASP H 1 38 THR H . . 3.480 2.719 2.389 2.947 . 0 0 "[ . 1 . 2]" 1
144 1 38 THR H 1 38 THR HB . . 3.600 3.471 3.395 3.551 . 0 0 "[ . 1 . 2]" 1
145 1 38 THR H 1 39 THR H . . 4.830 4.485 4.380 4.565 . 0 0 "[ . 1 . 2]" 1
146 1 33 THR H 1 33 THR MG . . 4.060 3.260 2.253 3.783 . 0 0 "[ . 1 . 2]" 1
147 1 68 LYS H 1 69 THR H . . 3.480 2.959 2.935 2.981 . 0 0 "[ . 1 . 2]" 1
148 1 69 THR H 1 69 THR HG1 . . 3.820 2.991 2.159 3.765 . 0 0 "[ . 1 . 2]" 1
149 1 69 THR H 1 69 THR HB . . 3.740 3.650 3.633 3.658 . 0 0 "[ . 1 . 2]" 1
150 1 69 THR H 1 69 THR MG . . 3.590 2.149 1.872 2.379 . 0 0 "[ . 1 . 2]" 1
151 1 49 VAL MG1 1 50 ARG H . . 4.540 2.942 2.657 3.173 . 0 0 "[ . 1 . 2]" 1
152 1 50 ARG H 1 50 ARG QG . . 4.590 3.901 3.545 4.044 . 0 0 "[ . 1 . 2]" 1
153 1 42 TYR HA 1 50 ARG H . . 4.480 3.808 3.541 3.937 . 0 0 "[ . 1 . 2]" 1
154 1 51 ILE H 1 51 ILE HG12 . . 4.330 4.187 4.047 4.296 . 0 0 "[ . 1 . 2]" 1
155 1 8 LEU HB2 1 51 ILE H . . 4.420 3.725 3.473 4.068 . 0 0 "[ . 1 . 2]" 1
156 1 50 ARG QD 1 51 ILE H . . 4.750 4.347 3.684 4.745 . 0 0 "[ . 1 . 2]" 1
157 1 51 ILE H 1 52 ASN H . . 4.770 4.213 4.119 4.367 . 0 0 "[ . 1 . 2]" 1
158 1 38 THR MG 1 52 ASN H . . 4.740 4.532 4.230 4.712 . 0 0 "[ . 1 . 2]" 1
159 1 41 GLN H 1 52 ASN H . . 4.790 4.755 4.547 4.793 0.003 15 0 "[ . 1 . 2]" 1
160 1 53 PHE H 1 59 ALA MB . . 4.710 4.372 4.173 4.646 . 0 0 "[ . 1 . 2]" 1
161 1 7 GLY HA3 1 53 PHE H . . 4.640 4.496 4.251 4.636 . 0 0 "[ . 1 . 2]" 1
162 1 38 THR MG 1 54 SER H . . 4.940 3.214 2.990 3.504 . 0 0 "[ . 1 . 2]" 1
163 1 53 PHE QD 1 54 SER H . . 4.940 3.876 3.699 4.081 . 0 0 "[ . 1 . 2]" 1
164 1 53 PHE HA 1 55 ASN H . . 4.440 4.177 3.995 4.391 . 0 0 "[ . 1 . 2]" 1
165 1 55 ASN H 1 58 SER H . . 4.860 4.688 4.512 4.861 0.001 15 0 "[ . 1 . 2]" 1
166 1 57 LEU H 1 57 LEU MD2 . . 4.290 3.939 3.419 4.150 . 0 0 "[ . 1 . 2]" 1
167 1 55 ASN HB3 1 57 LEU H . . 4.540 3.909 2.857 4.418 . 0 0 "[ . 1 . 2]" 1
168 1 55 ASN HB2 1 57 LEU H . . 4.540 2.471 2.186 2.695 . 0 0 "[ . 1 . 2]" 1
169 1 57 LEU H 1 59 ALA H . . 4.740 3.980 3.724 4.387 . 0 0 "[ . 1 . 2]" 1
170 1 55 ASN HB3 1 58 SER H . . 5.310 4.884 4.269 5.274 . 0 0 "[ . 1 . 2]" 1
171 1 55 ASN HB2 1 58 SER H . . 5.310 3.717 2.886 4.184 . 0 0 "[ . 1 . 2]" 1
172 1 59 ALA H 1 60 ALA MB . . 4.760 4.527 4.416 4.595 . 0 0 "[ . 1 . 2]" 1
173 1 53 PHE HB2 1 59 ALA H . . 4.580 3.744 3.573 3.935 . 0 0 "[ . 1 . 2]" 1
174 1 53 PHE HB3 1 59 ALA H . . 4.990 3.932 3.659 4.131 . 0 0 "[ . 1 . 2]" 1
175 1 58 SER HA 1 60 ALA H . . 3.970 3.826 3.618 3.952 . 0 0 "[ . 1 . 2]" 1
176 1 60 ALA MB 1 62 ALA H . . 4.680 4.213 4.009 4.600 . 0 0 "[ . 1 . 2]" 1
177 1 53 PHE QE 1 62 ALA H . . 5.040 4.775 4.192 5.039 . 0 0 "[ . 1 . 2]" 1
178 1 8 LEU MD2 1 63 ARG H . . 4.790 4.680 4.408 4.792 0.002 9 0 "[ . 1 . 2]" 1
179 1 61 ASP HA 1 63 ARG H . . 5.380 4.159 3.662 4.719 . 0 0 "[ . 1 . 2]" 1
180 1 62 ALA H 1 63 ARG H . . 3.080 2.683 2.438 2.930 . 0 0 "[ . 1 . 2]" 1
181 1 63 ARG HG2 1 64 LEU H . . 4.520 3.705 3.271 4.304 . 0 0 "[ . 1 . 2]" 1
182 1 63 ARG H 1 64 LEU H . . 3.270 2.703 2.242 2.978 . 0 0 "[ . 1 . 2]" 1
183 1 62 ALA HA 1 65 ARG H . . 4.750 3.746 3.418 4.035 . 0 0 "[ . 1 . 2]" 1
184 1 62 ALA HA 1 66 LEU H . . 5.060 4.455 4.078 4.774 . 0 0 "[ . 1 . 2]" 1
185 1 66 LEU HB3 1 67 HIS H . . 4.310 1.894 1.882 1.900 . 0 0 "[ . 1 . 2]" 1
186 1 68 LYS H 1 76 MET H . . 5.500 5.336 5.163 5.438 . 0 0 "[ . 1 . 2]" 1
187 1 68 LYS HB3 1 69 THR H . . 5.120 3.740 3.636 3.888 . 0 0 "[ . 1 . 2]" 1
188 1 68 LYS HB2 1 69 THR H . . 4.100 2.871 2.797 2.924 . 0 0 "[ . 1 . 2]" 1
189 1 69 THR H 1 76 MET H . . 4.860 4.803 4.653 4.867 0.007 14 0 "[ . 1 . 2]" 1
190 1 71 PHE H 1 75 GLU HA . . 4.630 2.893 2.458 3.737 . 0 0 "[ . 1 . 2]" 1
191 1 70 GLU HB3 1 73 GLY H . . 4.470 3.072 2.853 3.491 . 0 0 "[ . 1 . 2]" 1
192 1 70 GLU HG2 1 73 GLY H . . 4.380 4.130 3.839 4.353 . 0 0 "[ . 1 . 2]" 1
193 1 72 LEU H 1 73 GLY H . . 3.990 2.690 2.616 3.101 . 0 0 "[ . 1 . 2]" 1
194 1 72 LEU MD1 1 74 LYS H . . 5.500 5.155 4.654 5.422 . 0 0 "[ . 1 . 2]" 1
195 1 72 LEU MD2 1 74 LYS H . . 5.500 5.336 4.775 5.498 . 0 0 "[ . 1 . 2]" 1
196 1 70 GLU HA 1 74 LYS H . . 4.550 4.406 3.934 4.546 . 0 0 "[ . 1 . 2]" 1
197 1 75 GLU H 1 75 GLU HB3 . . 3.810 2.331 2.188 2.444 . 0 0 "[ . 1 . 2]" 1
198 1 71 PHE QD 1 76 MET H . . 5.500 5.438 5.329 5.506 0.006 20 0 "[ . 1 . 2]" 1
199 1 78 LEU HB2 1 79 TYR H . . 4.510 4.289 4.103 4.405 . 0 0 "[ . 1 . 2]" 1
200 1 9 ILE HB 1 79 TYR H . . 4.200 2.977 2.655 3.318 . 0 0 "[ . 1 . 2]" 1
201 1 10 ALA HA 1 79 TYR H . . 4.160 3.533 3.235 3.790 . 0 0 "[ . 1 . 2]" 1
202 1 80 PHE QD 1 81 ALA H . . 4.610 3.632 2.988 4.582 . 0 0 "[ . 1 . 2]" 1
203 1 85 HIS QB 1 86 ILE H . . 5.240 3.107 2.205 4.030 . 0 0 "[ . 1 . 2]" 1
204 1 91 LEU QB 1 92 ALA H . . 3.860 3.109 2.139 3.840 . 0 0 "[ . 1 . 2]" 1
205 1 43 PHE H 1 48 ARG H . . 4.270 3.283 2.913 3.587 . 0 0 "[ . 1 . 2]" 1
206 1 44 LYS HA 1 47 LYS H . . 4.240 3.520 3.071 4.125 . 0 0 "[ . 1 . 2]" 1
207 1 47 LYS H 1 48 ARG H . . 3.730 2.979 2.866 3.096 . 0 0 "[ . 1 . 2]" 1
208 1 46 PHE H 1 46 PHE HB2 . . 4.170 2.632 2.375 2.860 . 0 0 "[ . 1 . 2]" 1
209 1 43 PHE HB3 1 46 PHE H . . 4.450 2.732 2.359 3.801 . 0 0 "[ . 1 . 2]" 1
210 1 43 PHE H 1 49 VAL HA . . 4.450 3.379 3.111 3.544 . 0 0 "[ . 1 . 2]" 1
211 1 39 THR H 1 51 ILE MG . . 4.580 3.928 3.740 4.182 . 0 0 "[ . 1 . 2]" 1
212 1 39 THR H 1 52 ASN HB3 . . 4.500 3.670 2.981 4.505 0.005 17 0 "[ . 1 . 2]" 1
213 1 36 LYS QB 1 37 ASP H . . 5.000 3.183 2.787 3.855 . 0 0 "[ . 1 . 2]" 1
214 1 36 LYS H 1 36 LYS HG2 . . 4.680 2.970 2.464 3.371 . 0 0 "[ . 1 . 2]" 1
215 1 35 ASP QB 1 36 LYS H . . 4.760 3.278 2.936 3.558 . 0 0 "[ . 1 . 2]" 1
216 1 36 LYS H 1 37 ASP H . . 4.720 2.228 2.168 2.371 . 0 0 "[ . 1 . 2]" 1
217 1 33 THR MG 1 34 TYR H . . 4.380 2.781 1.869 3.409 . 0 0 "[ . 1 . 2]" 1
218 1 34 TYR H 1 35 ASP H . . 3.000 2.873 2.693 2.997 . 0 0 "[ . 1 . 2]" 1
219 1 33 THR H 1 34 TYR H . . 3.210 2.934 2.822 3.019 . 0 0 "[ . 1 . 2]" 1
220 1 33 THR H 1 34 TYR HB2 . . 5.500 5.409 5.212 5.496 . 0 0 "[ . 1 . 2]" 1
221 1 30 LEU HA 1 33 THR H . . 4.880 4.404 4.181 4.620 . 0 0 "[ . 1 . 2]" 1
222 1 29 SER HA 1 33 THR H . . 4.800 3.149 2.784 3.531 . 0 0 "[ . 1 . 2]" 1
223 1 31 PHE H 1 33 THR H . . 4.300 4.023 3.604 4.247 . 0 0 "[ . 1 . 2]" 1
224 1 30 LEU H 1 30 LEU MD1 . . 4.180 3.541 3.295 3.766 . 0 0 "[ . 1 . 2]" 1
225 1 27 PHE HA 1 30 LEU H . . 4.580 3.888 3.567 4.045 . 0 0 "[ . 1 . 2]" 1
226 1 30 LEU H 1 31 PHE H . . 3.450 2.900 2.671 3.049 . 0 0 "[ . 1 . 2]" 1
227 1 30 LEU H 1 32 ARG H . . 4.520 4.320 4.059 4.523 0.003 15 0 "[ . 1 . 2]" 1
228 1 29 SER H 1 29 SER HA . . 2.880 2.694 2.664 2.800 . 0 0 "[ . 1 . 2]" 1
229 1 24 ARG HA 1 28 GLU H . . 4.740 4.434 4.086 4.734 . 0 0 "[ . 1 . 2]" 1
230 1 27 PHE H 1 28 GLU H . . 3.950 2.487 2.243 2.977 . 0 0 "[ . 1 . 2]" 1
231 1 25 ALA HA 1 27 PHE H . . 5.080 4.154 3.816 4.748 . 0 0 "[ . 1 . 2]" 1
232 1 27 PHE H 1 71 PHE HZ . . 4.500 3.311 2.911 3.604 . 0 0 "[ . 1 . 2]" 1
233 1 27 PHE H 1 27 PHE QD . . 4.750 4.032 3.885 4.152 . 0 0 "[ . 1 . 2]" 1
234 1 26 LYS H 1 27 PHE H . . 3.700 2.819 2.602 3.089 . 0 0 "[ . 1 . 2]" 1
235 1 24 ARG H 1 24 ARG HB3 . . 3.910 2.477 2.339 2.706 . 0 0 "[ . 1 . 2]" 1
236 1 16 ASP H 1 17 VAL H . . 4.480 2.576 2.420 2.806 . 0 0 "[ . 1 . 2]" 1
237 1 14 ASN H 1 17 VAL H . . 5.060 4.949 4.701 5.060 . 0 0 "[ . 1 . 2]" 1
238 1 14 ASN H 1 17 VAL MG2 . . 5.170 3.637 3.270 4.032 . 0 0 "[ . 1 . 2]" 1
239 1 13 ALA MB 1 14 ASN H . . 3.560 2.973 2.560 3.329 . 0 0 "[ . 1 . 2]" 1
240 1 12 VAL HB 1 14 ASN H . . 4.490 3.390 2.437 4.137 . 0 0 "[ . 1 . 2]" 1
241 1 13 ALA H 1 74 LYS HB2 . . 4.780 4.581 4.361 4.766 . 0 0 "[ . 1 . 2]" 1
242 1 11 CYS HB3 1 12 VAL H . . 4.770 4.178 3.819 4.438 . 0 0 "[ . 1 . 2]" 1
243 1 11 CYS HB2 1 12 VAL H . . 4.770 4.521 4.364 4.624 . 0 0 "[ . 1 . 2]" 1
244 1 11 CYS H 1 12 VAL MG2 . . 5.110 4.268 4.070 4.517 . 0 0 "[ . 1 . 2]" 1
245 1 11 CYS H 1 77 LYS HB2 . . 4.250 3.601 3.175 3.831 . 0 0 "[ . 1 . 2]" 1
246 1 11 CYS H 1 11 CYS HB2 . . 3.910 2.617 2.279 2.892 . 0 0 "[ . 1 . 2]" 1
247 1 11 CYS H 1 77 LYS H . . 4.090 3.180 2.917 3.487 . 0 0 "[ . 1 . 2]" 1
248 1 10 ALA H 1 50 ARG HA . . 4.530 3.481 2.985 3.982 . 0 0 "[ . 1 . 2]" 1
249 1 9 ILE H 1 9 ILE MG . . 4.070 3.828 3.792 3.888 . 0 0 "[ . 1 . 2]" 1
250 1 9 ILE H 1 9 ILE HG13 . . 3.970 3.747 3.512 3.962 . 0 0 "[ . 1 . 2]" 1
251 1 9 ILE H 1 81 ALA H . . 4.990 3.064 2.564 3.627 . 0 0 "[ . 1 . 2]" 1
252 1 8 LEU H 1 52 ASN HA . . 4.260 3.518 3.269 3.806 . 0 0 "[ . 1 . 2]" 1
253 1 8 LEU H 1 53 PHE QE . . 4.340 3.508 3.096 3.898 . 0 0 "[ . 1 . 2]" 1
254 1 8 LEU H 1 53 PHE QD . . 4.700 4.038 3.740 4.244 . 0 0 "[ . 1 . 2]" 1
255 1 7 GLY H 1 81 ALA MB . . 4.240 3.409 2.978 3.885 . 0 0 "[ . 1 . 2]" 1
256 1 17 VAL H 1 18 PHE H . . 3.430 2.688 2.480 2.886 . 0 0 "[ . 1 . 2]" 1
257 1 80 PHE HB3 1 81 ALA H . . 4.660 3.851 3.610 4.268 . 0 0 "[ . 1 . 2]" 1
258 1 71 PHE HA 1 73 GLY H . . 4.170 3.739 3.501 4.176 0.006 20 0 "[ . 1 . 2]" 1
259 1 39 THR H 1 53 PHE HA . . 3.970 3.855 3.739 3.969 . 0 0 "[ . 1 . 2]" 1
260 1 41 GLN H 1 51 ILE HA . . 4.750 3.507 3.302 3.634 . 0 0 "[ . 1 . 2]" 1
261 1 11 CYS HA 1 49 VAL H . . 4.970 3.640 3.264 4.061 . 0 0 "[ . 1 . 2]" 1
262 1 9 ILE HA 1 51 ILE H . . 3.780 3.562 3.371 3.729 . 0 0 "[ . 1 . 2]" 1
263 1 9 ILE HA 1 50 ARG HA . . 3.600 2.591 2.337 2.809 . 0 0 "[ . 1 . 2]" 1
264 1 50 ARG HA 1 50 ARG QG . . 3.420 2.364 2.028 2.711 . 0 0 "[ . 1 . 2]" 1
265 1 77 LYS HA 1 78 LEU H . . 3.530 2.419 2.366 2.443 . 0 0 "[ . 1 . 2]" 1
266 1 48 ARG HA 1 49 VAL H . . 3.200 2.421 2.314 2.543 . 0 0 "[ . 1 . 2]" 1
267 1 48 ARG HA 1 48 ARG QG . . 3.240 2.245 2.186 2.293 . 0 0 "[ . 1 . 2]" 1
268 1 10 ALA HA 1 78 LEU HA . . 3.700 2.134 2.018 2.358 . 0 0 "[ . 1 . 2]" 1
269 1 8 LEU HA 1 8 LEU HG . . 4.150 2.775 2.640 2.899 . 0 0 "[ . 1 . 2]" 1
270 1 8 LEU HA 1 9 ILE H . . 3.170 2.178 2.145 2.262 . 0 0 "[ . 1 . 2]" 1
271 1 8 LEU HA 1 80 PHE HA . . 3.760 3.016 2.614 3.250 . 0 0 "[ . 1 . 2]" 1
272 1 8 LEU HA 1 81 ALA MB . . 3.930 2.807 2.137 3.256 . 0 0 "[ . 1 . 2]" 1
273 1 55 ASN HA 1 56 PRO HD2 . . 3.160 2.299 2.253 2.399 . 0 0 "[ . 1 . 2]" 1
274 1 55 ASN HA 1 56 PRO HD3 . . 3.070 2.269 2.258 2.299 . 0 0 "[ . 1 . 2]" 1
275 1 86 ILE HB 1 86 ILE MD . . 3.550 2.279 1.990 3.216 . 0 0 "[ . 1 . 2]" 1
276 1 100 GLY HA2 1 101 PRO QD . . 3.760 2.212 1.878 3.461 . 0 0 "[ . 1 . 2]" 1
277 1 9 ILE MG 1 48 ARG HD3 . . 3.700 2.371 1.865 2.952 . 0 0 "[ . 1 . 2]" 1
278 1 9 ILE MG 1 48 ARG HD2 . . 3.700 2.904 1.865 3.682 . 0 0 "[ . 1 . 2]" 1
279 1 9 ILE HB 1 9 ILE MD . . 3.480 3.213 3.189 3.230 . 0 0 "[ . 1 . 2]" 1
280 1 50 ARG HB2 1 50 ARG QD . . 3.560 2.517 1.964 3.067 . 0 0 "[ . 1 . 2]" 1
281 1 50 ARG HB3 1 50 ARG QD . . 3.560 2.459 1.952 3.201 . 0 0 "[ . 1 . 2]" 1
282 1 9 ILE HA 1 9 ILE MD . . 3.590 2.183 1.981 2.345 . 0 0 "[ . 1 . 2]" 1
283 1 9 ILE MD 1 81 ALA HA . . 3.840 3.584 3.223 3.838 . 0 0 "[ . 1 . 2]" 1
284 1 9 ILE MD 1 50 ARG QG . . 3.630 2.415 1.714 3.529 . 0 0 "[ . 1 . 2]" 1
285 1 65 ARG QB 1 65 ARG QD . . 2.950 2.006 1.935 2.103 . 0 0 "[ . 1 . 2]" 1
286 1 35 ASP H 1 35 ASP QB . . 3.340 2.356 2.269 2.433 . 0 0 "[ . 1 . 2]" 1
287 1 35 ASP QB 1 38 THR HG1 . . 3.420 2.387 1.992 2.981 . 0 0 "[ . 1 . 2]" 1
288 1 26 LYS QE 1 26 LYS HG2 . . 3.370 2.830 2.512 3.243 . 0 0 "[ . 1 . 2]" 1
289 1 64 LEU QB 1 64 LEU HG . . 2.460 2.444 2.418 2.463 0.003 11 0 "[ . 1 . 2]" 1
290 1 64 LEU QB 1 64 LEU MD1 . . 3.200 2.155 2.069 2.241 . 0 0 "[ . 1 . 2]" 1
291 1 44 LYS QE 1 44 LYS HG2 . . 3.440 2.554 2.013 3.380 . 0 0 "[ . 1 . 2]" 1
292 1 63 ARG QB 1 63 ARG HD2 . . 3.590 2.927 2.205 3.280 . 0 0 "[ . 1 . 2]" 1
293 1 63 ARG QB 1 63 ARG HD3 . . 3.590 2.212 2.037 2.681 . 0 0 "[ . 1 . 2]" 1
294 1 68 LYS HB2 1 68 LYS HE3 . . 3.760 3.023 2.037 3.747 . 0 0 "[ . 1 . 2]" 1
295 1 30 LEU HB2 1 30 LEU MD2 . . 3.670 3.177 3.155 3.194 . 0 0 "[ . 1 . 2]" 1
296 1 30 LEU HB2 1 66 LEU MD2 . . 3.870 3.046 2.743 3.362 . 0 0 "[ . 1 . 2]" 1
297 1 30 LEU HB2 1 30 LEU MD1 . . 3.280 2.205 2.068 2.388 . 0 0 "[ . 1 . 2]" 1
298 1 30 LEU HB3 1 30 LEU MD1 . . 3.280 2.456 2.253 2.613 . 0 0 "[ . 1 . 2]" 1
299 1 30 LEU HB3 1 30 LEU MD2 . . 3.670 2.270 2.155 2.453 . 0 0 "[ . 1 . 2]" 1
300 1 30 LEU HB3 1 66 LEU MD2 . . 3.870 1.902 1.771 2.147 . 0 0 "[ . 1 . 2]" 1
301 1 61 ASP H 1 61 ASP HB2 . . 3.270 2.086 2.070 2.121 . 0 0 "[ . 1 . 2]" 1
302 1 61 ASP H 1 61 ASP HB3 . . 3.440 3.324 3.124 3.402 . 0 0 "[ . 1 . 2]" 1
303 1 61 ASP HB3 1 62 ALA H . . 3.690 3.100 2.595 3.452 . 0 0 "[ . 1 . 2]" 1
304 1 37 ASP H 1 37 ASP HB3 . . 3.940 3.271 2.910 3.560 . 0 0 "[ . 1 . 2]" 1
305 1 57 LEU H 1 57 LEU HB3 . . 3.680 3.577 3.492 3.628 . 0 0 "[ . 1 . 2]" 1
306 1 39 THR HB 1 40 PHE H . . 3.260 3.082 2.821 3.245 . 0 0 "[ . 1 . 2]" 1
307 1 51 ILE H 1 51 ILE HB . . 3.810 2.624 2.491 2.735 . 0 0 "[ . 1 . 2]" 1
308 1 51 ILE HB 1 53 PHE QE . . 3.640 2.615 2.291 3.268 . 0 0 "[ . 1 . 2]" 1
309 1 8 LEU HB2 1 51 ILE HB . . 3.550 2.787 2.547 2.954 . 0 0 "[ . 1 . 2]" 1
310 1 55 ASN HB2 1 56 PRO HD2 . . 3.720 2.483 2.066 3.613 . 0 0 "[ . 1 . 2]" 1
311 1 55 ASN HB3 1 56 PRO HD2 . . 3.720 3.110 2.277 3.445 . 0 0 "[ . 1 . 2]" 1
312 1 16 ASP QB 1 23 THR HB . . 3.510 3.181 2.838 3.486 . 0 0 "[ . 1 . 2]" 1
313 1 69 THR HB 1 70 GLU H . . 3.430 3.266 3.123 3.404 . 0 0 "[ . 1 . 2]" 1
314 1 27 PHE H 1 27 PHE HB2 . . 3.540 2.849 2.654 3.032 . 0 0 "[ . 1 . 2]" 1
315 1 27 PHE H 1 27 PHE HB3 . . 3.540 2.324 2.264 2.416 . 0 0 "[ . 1 . 2]" 1
316 1 38 THR HB 1 39 THR H . . 3.960 3.448 3.162 3.748 . 0 0 "[ . 1 . 2]" 1
317 1 38 THR HB 1 51 ILE MG . . 3.700 2.802 2.581 2.938 . 0 0 "[ . 1 . 2]" 1
318 1 33 THR H 1 33 THR HB . . 3.540 2.473 2.266 2.676 . 0 0 "[ . 1 . 2]" 1
319 1 33 THR HB 1 34 TYR H . . 4.090 3.165 2.510 4.073 . 0 0 "[ . 1 . 2]" 1
320 1 75 GLU HA 1 75 GLU HG2 . . 4.030 3.102 2.669 3.670 . 0 0 "[ . 1 . 2]" 1
321 1 70 GLU HB2 1 70 GLU HG3 . . 2.790 2.510 2.460 2.705 . 0 0 "[ . 1 . 2]" 1
322 1 76 MET H 1 76 MET HB2 . . 3.800 3.178 2.819 3.332 . 0 0 "[ . 1 . 2]" 1
323 1 13 ALA MB 1 74 LYS HB3 . . 3.220 2.818 2.402 3.220 . 0 0 "[ . 1 . 2]" 1
324 1 28 GLU HG3 1 42 TYR HH . . 3.900 2.092 1.999 2.299 . 0 0 "[ . 1 . 2]" 1
325 1 28 GLU HG2 1 42 TYR HH . . 3.930 3.407 2.754 3.771 . 0 0 "[ . 1 . 2]" 1
326 1 12 VAL H 1 12 VAL HB . . 3.750 3.005 2.806 3.436 . 0 0 "[ . 1 . 2]" 1
327 1 33 THR HA 1 33 THR MG . . 3.290 2.765 2.419 3.200 . 0 0 "[ . 1 . 2]" 1
328 1 17 VAL HA 1 24 ARG HA . . 3.700 2.966 2.487 3.286 . 0 0 "[ . 1 . 2]" 1
329 1 17 VAL HA 1 17 VAL MG2 . . 3.510 2.222 2.133 2.426 . 0 0 "[ . 1 . 2]" 1
330 1 17 VAL HA 1 17 VAL MG1 . . 3.660 2.454 2.330 2.522 . 0 0 "[ . 1 . 2]" 1
331 1 6 SER HA 1 56 PRO HA . . 3.370 3.132 2.180 3.371 0.001 15 0 "[ . 1 . 2]" 1
332 1 41 GLN H 1 41 GLN QB . . 3.470 2.491 2.394 2.630 . 0 0 "[ . 1 . 2]" 1
333 1 41 GLN QB 1 43 PHE QE . . 3.510 2.926 2.200 3.424 . 0 0 "[ . 1 . 2]" 1
334 1 76 MET HA 1 76 MET QG . . 3.840 2.641 2.409 2.760 . 0 0 "[ . 1 . 2]" 1
335 1 76 MET QG 1 78 LEU MD2 . . 4.700 4.287 3.254 4.569 . 0 0 "[ . 1 . 2]" 1
336 1 12 VAL MG1 1 76 MET QG . . 3.980 3.158 2.141 3.761 . 0 0 "[ . 1 . 2]" 1
337 1 12 VAL MG2 1 76 MET QG . . 4.550 3.002 2.207 4.330 . 0 0 "[ . 1 . 2]" 1
338 1 70 GLU H 1 70 GLU HB2 . . 3.420 2.100 2.068 2.158 . 0 0 "[ . 1 . 2]" 1
339 1 70 GLU H 1 70 GLU HB3 . . 3.650 3.387 3.294 3.470 . 0 0 "[ . 1 . 2]" 1
340 1 70 GLU HB3 1 70 GLU HG2 . . 2.630 2.381 2.244 2.424 . 0 0 "[ . 1 . 2]" 1
341 1 17 VAL H 1 17 VAL HB . . 3.230 2.453 2.326 2.661 . 0 0 "[ . 1 . 2]" 1
342 1 65 ARG QB 1 66 LEU H . . 3.380 3.106 2.722 3.367 . 0 0 "[ . 1 . 2]" 1
343 1 35 ASP QB 1 58 SER HB2 . . 3.870 3.767 3.511 3.872 0.002 12 0 "[ . 1 . 2]" 1
344 1 93 PRO HB3 1 94 PRO HD3 . . 4.240 3.938 3.731 4.156 . 0 0 "[ . 1 . 2]" 1
345 1 83 THR HA 1 83 THR HB . . 2.550 2.454 2.322 2.566 0.016 7 0 "[ . 1 . 2]" 1
346 1 83 THR HA 1 83 THR MG . . 3.510 2.593 2.176 3.207 . 0 0 "[ . 1 . 2]" 1
347 1 29 SER HA 1 29 SER QB . . 2.430 2.334 2.188 2.415 . 0 0 "[ . 1 . 2]" 1
348 1 29 SER HA 1 32 ARG HB2 . . 3.410 2.941 2.625 3.197 . 0 0 "[ . 1 . 2]" 1
349 1 58 SER HA 1 61 ASP HB2 . . 3.750 2.785 2.546 3.207 . 0 0 "[ . 1 . 2]" 1
350 1 38 THR HA 1 53 PHE HA . . 3.140 2.587 2.437 2.740 . 0 0 "[ . 1 . 2]" 1
351 1 86 ILE HA 1 86 ILE MG . . 3.590 2.702 2.286 3.200 . 0 0 "[ . 1 . 2]" 1
352 1 86 ILE HA 1 86 ILE MD . . 3.960 3.409 2.036 3.882 . 0 0 "[ . 1 . 2]" 1
353 1 93 PRO HA 1 94 PRO HD2 . . 3.880 2.407 2.242 2.568 . 0 0 "[ . 1 . 2]" 1
354 1 93 PRO HA 1 94 PRO HD3 . . 3.880 2.314 2.266 2.385 . 0 0 "[ . 1 . 2]" 1
355 1 27 PHE HA 1 71 PHE HZ . . 3.690 3.495 3.214 3.691 0.001 18 0 "[ . 1 . 2]" 1
356 1 27 PHE HA 1 71 PHE QE . . 3.840 2.489 2.061 3.180 . 0 0 "[ . 1 . 2]" 1
357 1 27 PHE HA 1 27 PHE QD . . 3.570 3.205 3.041 3.301 . 0 0 "[ . 1 . 2]" 1
358 1 27 PHE HA 1 30 LEU MD1 . . 3.660 2.052 1.900 2.302 . 0 0 "[ . 1 . 2]" 1
359 1 74 LYS HB3 1 74 LYS QD . . 2.400 2.175 1.982 2.400 0.000 8 0 "[ . 1 . 2]" 1
360 1 32 ARG HA 1 32 ARG HG3 . . 3.880 3.505 3.393 3.597 . 0 0 "[ . 1 . 2]" 1
361 1 28 GLU H 1 28 GLU HB2 . . 3.630 2.119 2.082 2.201 . 0 0 "[ . 1 . 2]" 1
362 1 47 LYS HB2 1 47 LYS QD . . 3.770 3.221 2.327 3.382 . 0 0 "[ . 1 . 2]" 1
363 1 47 LYS HB3 1 47 LYS QD . . 3.770 2.265 1.989 3.309 . 0 0 "[ . 1 . 2]" 1
364 1 24 ARG HA 1 24 ARG HG2 . . 4.090 3.169 2.628 3.718 . 0 0 "[ . 1 . 2]" 1
365 1 40 PHE HA 1 51 ILE HA . . 3.750 2.483 2.290 2.707 . 0 0 "[ . 1 . 2]" 1
366 1 51 ILE HA 1 51 ILE HG12 . . 3.840 3.207 3.016 3.406 . 0 0 "[ . 1 . 2]" 1
367 1 51 ILE HA 1 51 ILE MG . . 3.380 2.365 2.267 2.454 . 0 0 "[ . 1 . 2]" 1
368 1 63 ARG HA 1 63 ARG HG2 . . 3.810 3.051 2.836 3.267 . 0 0 "[ . 1 . 2]" 1
369 1 63 ARG HA 1 66 LEU HB2 . . 4.070 3.034 2.844 3.154 . 0 0 "[ . 1 . 2]" 1
370 1 63 ARG HA 1 78 LEU MD1 . . 4.500 2.473 2.150 2.890 . 0 0 "[ . 1 . 2]" 1
371 1 63 ARG HA 1 63 ARG HG3 . . 3.550 2.509 2.208 2.853 . 0 0 "[ . 1 . 2]" 1
372 1 42 TYR HA 1 43 PHE H . . 3.230 2.165 2.138 2.246 . 0 0 "[ . 1 . 2]" 1
373 1 42 TYR HA 1 49 VAL HA . . 3.540 2.561 2.276 2.742 . 0 0 "[ . 1 . 2]" 1
374 1 34 TYR HA 1 34 TYR QD . . 3.290 2.387 2.219 2.841 . 0 0 "[ . 1 . 2]" 1
375 1 65 ARG H 1 65 ARG HG2 . . 3.890 3.496 3.448 3.743 . 0 0 "[ . 1 . 2]" 1
376 1 26 LYS HA 1 26 LYS HG2 . . 3.940 2.842 2.607 3.364 . 0 0 "[ . 1 . 2]" 1
377 1 26 LYS HA 1 26 LYS HG3 . . 3.430 2.725 2.395 3.023 . 0 0 "[ . 1 . 2]" 1
378 1 11 CYS HA 1 48 ARG QG . . 3.910 3.330 2.706 3.854 . 0 0 "[ . 1 . 2]" 1
379 1 51 ILE HB 1 51 ILE HG13 . . 3.000 2.838 2.758 2.920 . 0 0 "[ . 1 . 2]" 1
380 1 31 PHE QE 1 78 LEU MD1 . . 3.990 2.951 2.365 3.283 . 0 0 "[ . 1 . 2]" 1
381 1 28 GLU HA 1 40 PHE HZ . . 3.640 3.598 3.504 3.642 0.002 13 0 "[ . 1 . 2]" 1
382 1 28 GLU HA 1 31 PHE QD . . 3.310 2.552 2.038 2.918 . 0 0 "[ . 1 . 2]" 1
383 1 28 GLU HA 1 40 PHE QE . . 3.690 2.397 2.148 2.904 . 0 0 "[ . 1 . 2]" 1
384 1 28 GLU HA 1 28 GLU HG2 . . 3.480 2.390 2.230 2.668 . 0 0 "[ . 1 . 2]" 1
385 1 71 PHE QE 1 72 LEU MD1 . . 4.950 2.816 2.181 4.426 . 0 0 "[ . 1 . 2]" 1
386 1 72 LEU HB2 1 72 LEU MD1 . . 3.530 2.326 1.969 3.187 . 0 0 "[ . 1 . 2]" 1
387 1 72 LEU HB3 1 72 LEU MD1 . . 3.530 2.693 2.104 3.126 . 0 0 "[ . 1 . 2]" 1
388 1 22 GLU HA 1 25 ALA MB . . 3.370 3.139 2.888 3.317 . 0 0 "[ . 1 . 2]" 1
389 1 9 ILE HG12 1 81 ALA MB . . 2.460 2.249 1.973 2.460 . 9 0 "[ . 1 . 2]" 1
390 1 8 LEU HG 1 53 PHE QE . . 3.680 3.326 2.669 3.618 . 0 0 "[ . 1 . 2]" 1
391 1 66 LEU HB2 1 66 LEU HG . . 2.820 2.553 2.484 2.604 . 0 0 "[ . 1 . 2]" 1
392 1 8 LEU MD1 1 53 PHE QE . . 4.680 2.419 1.932 2.654 . 0 0 "[ . 1 . 2]" 1
393 1 66 LEU HB3 1 66 LEU MD1 . . 3.280 2.511 2.407 2.621 . 0 0 "[ . 1 . 2]" 1
394 1 62 ALA MB 1 66 LEU MD1 . . 3.550 2.414 1.987 2.731 . 0 0 "[ . 1 . 2]" 1
395 1 30 LEU HB3 1 66 LEU MD1 . . 4.060 2.790 2.538 3.019 . 0 0 "[ . 1 . 2]" 1
396 1 66 LEU MD1 1 78 LEU MD2 . . 4.030 3.032 2.666 3.534 . 0 0 "[ . 1 . 2]" 1
397 1 65 ARG HA 1 65 ARG HG2 . . 3.390 2.141 2.115 2.225 . 0 0 "[ . 1 . 2]" 1
398 1 65 ARG HA 1 65 ARG HG3 . . 3.390 3.371 3.195 3.398 0.008 2 0 "[ . 1 . 2]" 1
399 1 57 LEU HA 1 57 LEU HB3 . . 2.940 2.510 2.385 2.646 . 0 0 "[ . 1 . 2]" 1
400 1 57 LEU HA 1 57 LEU MD2 . . 4.110 2.553 1.986 3.174 . 0 0 "[ . 1 . 2]" 1
401 1 64 LEU HA 1 64 LEU MD2 . . 4.340 4.124 4.099 4.139 . 0 0 "[ . 1 . 2]" 1
402 1 77 LYS HA 1 77 LYS HG2 . . 4.080 2.468 2.100 2.940 . 0 0 "[ . 1 . 2]" 1
403 1 31 PHE QE 1 78 LEU MD2 . . 3.990 2.244 1.974 2.557 . 0 0 "[ . 1 . 2]" 1
404 1 78 LEU HA 1 78 LEU MD2 . . 4.730 2.632 2.177 2.906 . 0 0 "[ . 1 . 2]" 1
405 1 76 MET ME 1 78 LEU MD2 . . 4.010 3.880 3.400 4.010 0.000 10 0 "[ . 1 . 2]" 1
406 1 75 GLU HA 1 76 MET H . . 2.950 2.149 2.140 2.195 . 0 0 "[ . 1 . 2]" 1
407 1 70 GLU HA 1 75 GLU HA . . 3.240 2.473 2.204 2.807 . 0 0 "[ . 1 . 2]" 1
408 1 26 LYS HD3 1 26 LYS HG2 . . 2.400 2.293 2.251 2.343 . 0 0 "[ . 1 . 2]" 1
409 1 26 LYS QE 1 26 LYS HG3 . . 3.580 2.181 1.990 2.495 . 0 0 "[ . 1 . 2]" 1
410 1 30 LEU HA 1 30 LEU MD2 . . 3.110 2.142 1.972 2.318 . 0 0 "[ . 1 . 2]" 1
411 1 61 ASP HA 1 64 LEU QB . . 3.600 3.203 2.564 3.545 . 0 0 "[ . 1 . 2]" 1
412 1 47 LYS HA 1 47 LYS HG2 . . 3.950 2.735 2.521 3.637 . 0 0 "[ . 1 . 2]" 1
413 1 74 LYS HA 1 74 LYS QG . . 3.530 2.573 2.130 2.823 . 0 0 "[ . 1 . 2]" 1
414 1 64 LEU HA 1 64 LEU MD1 . . 4.340 3.109 2.787 3.199 . 0 0 "[ . 1 . 2]" 1
415 1 57 LEU HB2 1 57 LEU MD1 . . 3.270 2.087 1.965 2.274 . 0 0 "[ . 1 . 2]" 1
416 1 84 LEU HA 1 84 LEU MD1 . . 4.240 3.646 2.021 4.088 . 0 0 "[ . 1 . 2]" 1
417 1 91 LEU HA 1 91 LEU MD1 . . 4.550 3.220 2.203 4.070 . 0 0 "[ . 1 . 2]" 1
418 1 30 LEU MD1 1 71 PHE QE . . 3.980 2.175 1.962 3.001 . 0 0 "[ . 1 . 2]" 1
419 1 30 LEU MD1 1 76 MET ME . . 3.700 2.802 2.094 3.123 . 0 0 "[ . 1 . 2]" 1
420 1 44 LYS QE 1 44 LYS HG3 . . 3.440 2.635 2.093 3.299 . 0 0 "[ . 1 . 2]" 1
421 1 57 LEU HA 1 57 LEU MD1 . . 4.110 3.852 3.661 3.941 . 0 0 "[ . 1 . 2]" 1
422 1 57 LEU HB3 1 57 LEU MD1 . . 3.290 2.684 2.436 2.970 . 0 0 "[ . 1 . 2]" 1
423 1 38 THR MG 1 53 PHE QD . . 3.760 2.383 2.106 2.664 . 0 0 "[ . 1 . 2]" 1
424 1 38 THR MG 1 53 PHE QE . . 3.810 2.939 2.653 3.245 . 0 0 "[ . 1 . 2]" 1
425 1 38 THR MG 1 53 PHE HA . . 3.360 1.940 1.798 2.111 . 0 0 "[ . 1 . 2]" 1
426 1 38 THR HA 1 38 THR MG . . 3.210 2.138 2.005 2.192 . 0 0 "[ . 1 . 2]" 1
427 1 35 ASP QB 1 38 THR MG . . 2.890 1.922 1.794 2.136 . 0 0 "[ . 1 . 2]" 1
428 1 38 THR MG 1 51 ILE MG . . 3.130 2.644 2.441 2.790 . 0 0 "[ . 1 . 2]" 1
429 1 82 GLN HA 1 82 GLN QG . . 3.830 2.400 2.025 3.337 . 0 0 "[ . 1 . 2]" 1
430 1 68 LYS HA 1 68 LYS HG3 . . 4.200 2.460 2.333 2.647 . 0 0 "[ . 1 . 2]" 1
431 1 64 LEU QB 1 64 LEU MD2 . . 3.200 1.998 1.944 2.100 . 0 0 "[ . 1 . 2]" 1
432 1 17 VAL H 1 17 VAL MG2 . . 3.370 2.333 1.942 2.575 . 0 0 "[ . 1 . 2]" 1
433 1 17 VAL MG2 1 71 PHE HZ . . 3.680 2.808 2.483 3.150 . 0 0 "[ . 1 . 2]" 1
434 1 14 ASN QB 1 17 VAL MG2 . . 3.420 1.954 1.749 2.078 . 0 0 "[ . 1 . 2]" 1
435 1 12 VAL MG1 1 17 VAL MG2 . . 3.670 2.018 1.907 2.438 . 0 0 "[ . 1 . 2]" 1
436 1 57 LEU HB2 1 57 LEU MD2 . . 3.270 3.096 2.893 3.181 . 0 0 "[ . 1 . 2]" 1
437 1 57 LEU HB3 1 57 LEU MD2 . . 3.290 2.128 2.009 2.348 . 0 0 "[ . 1 . 2]" 1
438 1 8 LEU HA 1 8 LEU MD2 . . 4.360 2.173 1.998 2.357 . 0 0 "[ . 1 . 2]" 1
439 1 84 LEU HA 1 84 LEU HG . . 3.760 3.015 2.167 3.746 . 0 0 "[ . 1 . 2]" 1
440 1 84 LEU HA 1 84 LEU MD2 . . 4.240 3.260 2.223 4.070 . 0 0 "[ . 1 . 2]" 1
441 1 60 ALA HA 1 80 PHE HZ . . 3.150 2.948 2.682 3.128 . 0 0 "[ . 1 . 2]" 1
442 1 66 LEU HA 1 66 LEU MD2 . . 3.060 2.241 2.125 2.360 . 0 0 "[ . 1 . 2]" 1
443 1 62 ALA HA 1 65 ARG QB . . 3.480 2.814 2.466 3.339 . 0 0 "[ . 1 . 2]" 1
444 1 30 LEU H 1 30 LEU MD2 . . 4.000 3.503 2.732 3.765 . 0 0 "[ . 1 . 2]" 1
445 1 23 THR MG 1 71 PHE QE . . 3.390 3.290 3.091 3.394 0.004 8 0 "[ . 1 . 2]" 1
446 1 23 THR MG 1 71 PHE HZ . . 3.280 3.068 2.665 3.281 0.001 19 0 "[ . 1 . 2]" 1
447 1 23 THR HA 1 23 THR MG . . 3.210 2.312 2.209 2.455 . 0 0 "[ . 1 . 2]" 1
448 1 17 VAL HA 1 23 THR MG . . 3.760 2.350 1.964 2.770 . 0 0 "[ . 1 . 2]" 1
449 1 16 ASP QB 1 23 THR MG . . 3.220 2.508 2.085 2.774 . 0 0 "[ . 1 . 2]" 1
450 1 17 VAL MG2 1 23 THR MG . . 2.980 2.119 1.888 2.492 . 0 0 "[ . 1 . 2]" 1
451 1 17 VAL MG1 1 23 THR MG . . 4.050 3.674 3.356 4.051 0.001 15 0 "[ . 1 . 2]" 1
452 1 91 LEU HA 1 91 LEU MD2 . . 4.550 2.989 1.981 3.813 . 0 0 "[ . 1 . 2]" 1
453 1 69 THR MG 1 70 GLU H . . 4.080 3.961 3.795 4.080 0.000 20 0 "[ . 1 . 2]" 1
454 1 69 THR HA 1 69 THR MG . . 3.050 2.292 2.151 2.423 . 0 0 "[ . 1 . 2]" 1
455 1 66 LEU MD2 1 69 THR MG . . 4.090 4.044 3.677 4.106 0.016 20 0 "[ . 1 . 2]" 1
456 1 72 LEU H 1 72 LEU MD2 . . 4.960 3.832 2.213 4.767 . 0 0 "[ . 1 . 2]" 1
457 1 72 LEU HB2 1 72 LEU MD2 . . 3.530 2.848 2.226 3.193 . 0 0 "[ . 1 . 2]" 1
458 1 72 LEU HB3 1 72 LEU MD2 . . 3.530 2.330 1.963 3.182 . 0 0 "[ . 1 . 2]" 1
459 1 49 VAL H 1 49 VAL MG1 . . 4.390 3.951 3.907 3.984 . 0 0 "[ . 1 . 2]" 1
460 1 27 PHE HZ 1 49 VAL MG1 . . 3.700 2.273 2.012 2.560 . 0 0 "[ . 1 . 2]" 1
461 1 42 TYR QE 1 49 VAL MG1 . . 3.940 2.967 2.650 3.236 . 0 0 "[ . 1 . 2]" 1
462 1 49 VAL HA 1 49 VAL MG1 . . 3.570 2.279 2.139 2.403 . 0 0 "[ . 1 . 2]" 1
463 1 10 ALA H 1 10 ALA MB . . 3.420 2.202 2.107 2.325 . 0 0 "[ . 1 . 2]" 1
464 1 10 ALA MB 1 11 CYS H . . 3.840 3.152 2.891 3.319 . 0 0 "[ . 1 . 2]" 1
465 1 10 ALA MB 1 27 PHE QE . . 3.880 2.468 2.199 2.779 . 0 0 "[ . 1 . 2]" 1
466 1 10 ALA MB 1 27 PHE HZ . . 3.470 2.203 1.920 2.615 . 0 0 "[ . 1 . 2]" 1
467 1 10 ALA MB 1 49 VAL HB . . 3.170 2.370 2.026 2.763 . 0 0 "[ . 1 . 2]" 1
468 1 10 ALA MB 1 12 VAL MG2 . . 3.190 3.064 2.919 3.194 0.004 20 0 "[ . 1 . 2]" 1
469 1 10 ALA MB 1 49 VAL MG1 . . 4.060 3.183 2.824 3.539 . 0 0 "[ . 1 . 2]" 1
470 1 10 ALA MB 1 51 ILE MD . . 3.260 1.928 1.693 2.091 . 0 0 "[ . 1 . 2]" 1
471 1 39 THR HA 1 39 THR MG . . 3.410 2.348 2.133 2.533 . 0 0 "[ . 1 . 2]" 1
472 1 12 VAL H 1 12 VAL MG2 . . 3.450 1.945 1.833 2.060 . 0 0 "[ . 1 . 2]" 1
473 1 12 VAL MG1 1 27 PHE QE . . 3.980 3.504 2.782 3.841 . 0 0 "[ . 1 . 2]" 1
474 1 12 VAL MG2 1 27 PHE QE . . 4.140 2.428 2.012 3.133 . 0 0 "[ . 1 . 2]" 1
475 1 12 VAL MG2 1 42 TYR QD . . 5.140 4.395 3.766 4.994 . 0 0 "[ . 1 . 2]" 1
476 1 12 VAL MG1 1 14 ASN H . . 3.360 2.240 1.884 3.156 . 0 0 "[ . 1 . 2]" 1
477 1 12 VAL MG1 1 14 ASN QB . . 3.640 2.703 2.452 3.302 . 0 0 "[ . 1 . 2]" 1
478 1 12 VAL MG1 1 17 VAL HB . . 4.040 2.966 2.546 3.601 . 0 0 "[ . 1 . 2]" 1
479 1 12 VAL MG2 1 17 VAL HB . . 4.240 3.554 3.169 3.835 . 0 0 "[ . 1 . 2]" 1
480 1 12 VAL MG2 1 18 PHE QE . . 3.820 3.552 2.791 3.823 0.003 18 0 "[ . 1 . 2]" 1
481 1 12 VAL MG1 1 71 PHE QE . . 4.050 3.220 2.958 3.480 . 0 0 "[ . 1 . 2]" 1
482 1 49 VAL MG2 1 50 ARG H . . 4.540 4.247 4.146 4.359 . 0 0 "[ . 1 . 2]" 1
483 1 27 PHE QE 1 49 VAL MG2 . . 4.120 3.348 3.061 3.664 . 0 0 "[ . 1 . 2]" 1
484 1 27 PHE HZ 1 49 VAL MG2 . . 3.700 3.310 2.911 3.659 . 0 0 "[ . 1 . 2]" 1
485 1 42 TYR QD 1 49 VAL MG2 . . 3.930 2.498 1.932 3.150 . 0 0 "[ . 1 . 2]" 1
486 1 49 VAL HA 1 49 VAL MG2 . . 3.570 2.490 2.408 2.609 . 0 0 "[ . 1 . 2]" 1
487 1 42 TYR HA 1 49 VAL MG2 . . 4.010 2.896 2.425 3.350 . 0 0 "[ . 1 . 2]" 1
488 1 10 ALA MB 1 49 VAL MG2 . . 4.060 3.338 2.932 3.701 . 0 0 "[ . 1 . 2]" 1
489 1 17 VAL MG1 1 42 TYR QE . . 3.480 2.111 1.942 2.441 . 0 0 "[ . 1 . 2]" 1
490 1 12 VAL MG1 1 17 VAL MG1 . . 4.020 2.614 2.401 2.904 . 0 0 "[ . 1 . 2]" 1
491 1 12 VAL MG2 1 17 VAL MG1 . . 4.150 2.458 2.235 2.669 . 0 0 "[ . 1 . 2]" 1
492 1 51 ILE MG 1 52 ASN H . . 3.800 2.993 2.588 3.207 . 0 0 "[ . 1 . 2]" 1
493 1 51 ILE MG 1 53 PHE QE . . 3.430 2.620 2.243 3.104 . 0 0 "[ . 1 . 2]" 1
494 1 40 PHE QE 1 51 ILE MG . . 3.750 2.993 2.423 3.307 . 0 0 "[ . 1 . 2]" 1
495 1 31 PHE HB2 1 51 ILE MG . . 4.500 2.975 2.673 3.238 . 0 0 "[ . 1 . 2]" 1
496 1 51 ILE HG13 1 51 ILE MG . . 3.500 2.954 2.805 3.073 . 0 0 "[ . 1 . 2]" 1
497 1 51 ILE HG12 1 51 ILE MG . . 3.470 2.079 1.957 2.152 . 0 0 "[ . 1 . 2]" 1
498 1 51 ILE MD 1 51 ILE MG . . 3.120 2.838 2.610 3.035 . 0 0 "[ . 1 . 2]" 1
499 1 13 ALA H 1 13 ALA MB . . 3.510 2.309 2.148 2.430 . 0 0 "[ . 1 . 2]" 1
500 1 13 ALA MB 1 74 LYS QD . . 3.670 2.539 1.880 3.124 . 0 0 "[ . 1 . 2]" 1
501 1 7 GLY HA3 1 81 ALA MB . . 4.280 2.514 2.150 3.073 . 0 0 "[ . 1 . 2]" 1
502 1 9 ILE MD 1 81 ALA MB . . 3.530 2.476 2.039 2.860 . 0 0 "[ . 1 . 2]" 1
503 1 95 ASN HA 1 96 PRO HD2 . . 3.590 2.224 1.970 2.604 . 0 0 "[ . 1 . 2]" 1
504 1 95 ASN HA 1 96 PRO HD3 . . 3.590 2.403 2.252 2.820 . 0 0 "[ . 1 . 2]" 1
505 1 62 ALA H 1 62 ALA MB . . 3.070 2.177 2.036 2.248 . 0 0 "[ . 1 . 2]" 1
506 1 34 TYR QD 1 62 ALA MB . . 3.250 2.619 2.180 3.017 . 0 0 "[ . 1 . 2]" 1
507 1 53 PHE HZ 1 62 ALA MB . . 3.050 2.592 2.264 3.051 0.001 3 0 "[ . 1 . 2]" 1
508 1 59 ALA HA 1 62 ALA MB . . 3.740 2.751 2.501 3.029 . 0 0 "[ . 1 . 2]" 1
509 1 53 PHE QE 1 62 ALA MB . . 2.950 2.531 2.064 2.806 . 0 0 "[ . 1 . 2]" 1
510 1 93 PRO HB2 1 94 PRO HD3 . . 4.240 3.752 3.452 4.053 . 0 0 "[ . 1 . 2]" 1
511 1 59 ALA MB 1 60 ALA H . . 3.420 2.692 2.574 2.864 . 0 0 "[ . 1 . 2]" 1
512 1 6 SER HA 1 59 ALA MB . . 3.600 3.222 2.248 3.591 . 0 0 "[ . 1 . 2]" 1
513 1 56 PRO HA 1 59 ALA MB . . 3.540 2.666 2.441 2.947 . 0 0 "[ . 1 . 2]" 1
514 1 53 PHE HB2 1 59 ALA MB . . 3.660 3.026 2.776 3.170 . 0 0 "[ . 1 . 2]" 1
515 1 8 LEU HG 1 59 ALA MB . . 3.540 2.617 2.447 2.883 . 0 0 "[ . 1 . 2]" 1
516 1 60 ALA MB 1 61 ASP H . . 3.340 2.339 2.270 2.488 . 0 0 "[ . 1 . 2]" 1
517 1 60 ALA H 1 60 ALA MB . . 2.980 2.064 2.038 2.118 . 0 0 "[ . 1 . 2]" 1
518 1 60 ALA MB 1 80 PHE HZ . . 3.340 3.199 2.966 3.342 0.002 20 0 "[ . 1 . 2]" 1
519 1 100 GLY HA3 1 101 PRO QD . . 3.760 2.706 1.956 3.432 . 0 0 "[ . 1 . 2]" 1
520 1 9 ILE MG 1 10 ALA H . . 3.700 3.271 3.142 3.356 . 0 0 "[ . 1 . 2]" 1
521 1 9 ILE HA 1 9 ILE MG . . 3.470 2.285 2.212 2.411 . 0 0 "[ . 1 . 2]" 1
522 1 9 ILE MG 1 48 ARG QG . . 3.710 2.671 1.994 3.283 . 0 0 "[ . 1 . 2]" 1
523 1 9 ILE HG13 1 9 ILE MG . . 3.320 2.421 2.214 2.565 . 0 0 "[ . 1 . 2]" 1
524 1 9 ILE HG12 1 9 ILE MG . . 3.480 3.186 3.166 3.200 . 0 0 "[ . 1 . 2]" 1
525 1 9 ILE MD 1 9 ILE MG . . 2.400 1.960 1.845 2.215 . 0 0 "[ . 1 . 2]" 1
526 1 25 ALA MB 1 26 LYS H . . 3.470 2.457 2.059 2.753 . 0 0 "[ . 1 . 2]" 1
527 1 25 ALA H 1 25 ALA MB . . 3.130 2.128 2.026 2.248 . 0 0 "[ . 1 . 2]" 1
528 1 27 PHE QE 1 76 MET ME . . 3.880 3.285 2.397 3.842 . 0 0 "[ . 1 . 2]" 1
529 1 31 PHE HZ 1 76 MET ME . . 3.700 2.690 2.375 3.033 . 0 0 "[ . 1 . 2]" 1
530 1 71 PHE QB 1 76 MET ME . . 3.510 2.774 2.194 3.230 . 0 0 "[ . 1 . 2]" 1
531 1 66 LEU HB2 1 76 MET ME . . 3.590 3.249 3.019 3.502 . 0 0 "[ . 1 . 2]" 1
532 1 76 MET ME 1 78 LEU MD1 . . 4.010 2.629 2.124 3.100 . 0 0 "[ . 1 . 2]" 1
533 1 12 VAL MG1 1 76 MET ME . . 4.100 3.913 3.565 4.099 . 0 0 "[ . 1 . 2]" 1
534 1 66 LEU MD2 1 76 MET ME . . 3.120 2.675 2.340 2.941 . 0 0 "[ . 1 . 2]" 1
535 1 66 LEU MD1 1 76 MET ME . . 3.660 2.729 2.502 3.002 . 0 0 "[ . 1 . 2]" 1
536 1 49 VAL HB 1 51 ILE HG13 . . 4.670 4.175 3.768 4.453 . 0 0 "[ . 1 . 2]" 1
537 1 27 PHE HZ 1 49 VAL HB . . 4.000 2.658 2.304 3.137 . 0 0 "[ . 1 . 2]" 1
538 1 27 PHE QE 1 49 VAL HB . . 4.410 3.623 3.418 3.910 . 0 0 "[ . 1 . 2]" 1
539 1 49 VAL H 1 49 VAL HB . . 3.850 2.889 2.761 2.997 . 0 0 "[ . 1 . 2]" 1
540 1 10 ALA H 1 49 VAL HB . . 4.530 3.249 2.790 3.606 . 0 0 "[ . 1 . 2]" 1
541 1 49 VAL HB 1 50 ARG H . . 4.860 4.286 4.107 4.399 . 0 0 "[ . 1 . 2]" 1
542 1 42 TYR QB 1 49 VAL MG1 . . 5.500 4.120 3.676 4.417 . 0 0 "[ . 1 . 2]" 1
543 1 27 PHE QE 1 49 VAL MG1 . . 4.120 2.252 1.949 2.704 . 0 0 "[ . 1 . 2]" 1
544 1 49 VAL H 1 49 VAL MG2 . . 4.390 2.735 2.464 2.967 . 0 0 "[ . 1 . 2]" 1
545 1 9 ILE MD 1 50 ARG HA . . 3.840 2.518 2.263 2.859 . 0 0 "[ . 1 . 2]" 1
546 1 50 ARG HA 1 51 ILE HG13 . . 4.560 4.047 3.739 4.252 . 0 0 "[ . 1 . 2]" 1
547 1 50 ARG HA 1 51 ILE HB . . 5.290 4.709 4.619 4.833 . 0 0 "[ . 1 . 2]" 1
548 1 50 ARG HA 1 81 ALA MB . . 5.500 4.668 4.262 4.952 . 0 0 "[ . 1 . 2]" 1
549 1 50 ARG HA 1 51 ILE HA . . 5.090 4.399 4.392 4.413 . 0 0 "[ . 1 . 2]" 1
550 1 9 ILE MD 1 50 ARG HB3 . . 4.280 3.899 3.598 4.277 . 0 0 "[ . 1 . 2]" 1
551 1 41 GLN H 1 50 ARG HB3 . . 5.330 3.586 3.277 3.911 . 0 0 "[ . 1 . 2]" 1
552 1 50 ARG HB3 1 51 ILE H . . 5.000 4.222 3.866 4.492 . 0 0 "[ . 1 . 2]" 1
553 1 41 GLN H 1 50 ARG HB2 . . 5.330 4.721 4.074 5.316 . 0 0 "[ . 1 . 2]" 1
554 1 50 ARG HB2 1 51 ILE H . . 5.000 4.425 4.185 4.615 . 0 0 "[ . 1 . 2]" 1
555 1 43 PHE QE 1 50 ARG QG . . 4.350 3.556 2.162 4.346 . 0 0 "[ . 1 . 2]" 1
556 1 50 ARG QG 1 51 ILE H . . 3.880 3.067 2.777 3.515 . 0 0 "[ . 1 . 2]" 1
557 1 8 LEU H 1 50 ARG QG . . 4.640 3.548 2.961 4.312 . 0 0 "[ . 1 . 2]" 1
558 1 9 ILE MD 1 50 ARG QD . . 3.860 2.799 1.811 3.660 . 0 0 "[ . 1 . 2]" 1
559 1 50 ARG QD 1 81 ALA MB . . 4.070 3.380 2.529 4.066 . 0 0 "[ . 1 . 2]" 1
560 1 50 ARG HA 1 50 ARG QD . . 4.310 3.558 2.868 4.058 . 0 0 "[ . 1 . 2]" 1
561 1 43 PHE QE 1 50 ARG QD . . 4.100 3.735 2.881 4.105 0.005 14 0 "[ . 1 . 2]" 1
562 1 51 ILE HA 1 51 ILE MD . . 4.060 3.771 3.660 3.855 . 0 0 "[ . 1 . 2]" 1
563 1 51 ILE HA 1 51 ILE HG13 . . 3.870 2.490 2.390 2.628 . 0 0 "[ . 1 . 2]" 1
564 1 27 PHE HZ 1 51 ILE HB . . 5.500 5.320 5.016 5.489 . 0 0 "[ . 1 . 2]" 1
565 1 40 PHE QE 1 51 ILE HB . . 5.500 5.214 4.757 5.487 . 0 0 "[ . 1 . 2]" 1
566 1 51 ILE HB 1 53 PHE QD . . 5.500 4.440 4.097 4.845 . 0 0 "[ . 1 . 2]" 1
567 1 51 ILE HB 1 52 ASN H . . 5.470 4.333 4.154 4.401 . 0 0 "[ . 1 . 2]" 1
568 1 8 LEU H 1 51 ILE HB . . 4.240 3.709 3.135 4.102 . 0 0 "[ . 1 . 2]" 1
569 1 8 LEU HB2 1 51 ILE HG13 . . 5.500 5.337 5.112 5.470 . 0 0 "[ . 1 . 2]" 1
570 1 40 PHE HA 1 51 ILE HG13 . . 4.710 3.250 2.973 3.528 . 0 0 "[ . 1 . 2]" 1
571 1 27 PHE HZ 1 51 ILE HG13 . . 4.320 3.823 3.585 4.123 . 0 0 "[ . 1 . 2]" 1
572 1 40 PHE QE 1 51 ILE HG13 . . 4.850 4.505 4.166 4.720 . 0 0 "[ . 1 . 2]" 1
573 1 40 PHE QD 1 51 ILE HG13 . . 3.820 3.218 2.624 3.534 . 0 0 "[ . 1 . 2]" 1
574 1 27 PHE QE 1 51 ILE HG13 . . 4.390 3.542 3.315 3.815 . 0 0 "[ . 1 . 2]" 1
575 1 51 ILE HG13 1 52 ASN H . . 5.500 4.632 4.543 4.746 . 0 0 "[ . 1 . 2]" 1
576 1 51 ILE H 1 51 ILE HG13 . . 4.010 2.887 2.636 3.050 . 0 0 "[ . 1 . 2]" 1
577 1 27 PHE QE 1 51 ILE HG12 . . 4.380 2.947 2.585 3.239 . 0 0 "[ . 1 . 2]" 1
578 1 40 PHE QE 1 51 ILE HG12 . . 3.960 2.941 2.678 3.092 . 0 0 "[ . 1 . 2]" 1
579 1 8 LEU HB2 1 51 ILE MG . . 4.280 3.885 3.501 4.193 . 0 0 "[ . 1 . 2]" 1
580 1 40 PHE HA 1 51 ILE MG . . 5.310 3.469 3.138 3.816 . 0 0 "[ . 1 . 2]" 1
581 1 51 ILE MG 1 53 PHE QD . . 4.680 3.398 2.982 3.825 . 0 0 "[ . 1 . 2]" 1
582 1 40 PHE HZ 1 51 ILE MG . . 3.810 3.568 3.329 3.807 . 0 0 "[ . 1 . 2]" 1
583 1 51 ILE HB 1 51 ILE MD . . 3.390 2.014 1.990 2.088 . 0 0 "[ . 1 . 2]" 1
584 1 8 LEU HB2 1 51 ILE MD . . 3.770 3.381 3.074 3.646 . 0 0 "[ . 1 . 2]" 1
585 1 49 VAL HB 1 51 ILE MD . . 3.980 2.909 2.609 3.131 . 0 0 "[ . 1 . 2]" 1
586 1 9 ILE HA 1 51 ILE MD . . 4.650 4.120 3.701 4.552 . 0 0 "[ . 1 . 2]" 1
587 1 50 ARG HA 1 51 ILE MD . . 4.710 3.883 3.410 4.337 . 0 0 "[ . 1 . 2]" 1
588 1 31 PHE QE 1 51 ILE MD . . 3.940 2.638 2.381 3.055 . 0 0 "[ . 1 . 2]" 1
589 1 27 PHE HZ 1 51 ILE MD . . 3.480 2.069 1.853 2.309 . 0 0 "[ . 1 . 2]" 1
590 1 31 PHE HZ 1 51 ILE MD . . 3.750 2.750 2.484 3.154 . 0 0 "[ . 1 . 2]" 1
591 1 27 PHE QE 1 51 ILE MD . . 3.700 2.775 2.390 3.197 . 0 0 "[ . 1 . 2]" 1
592 1 51 ILE H 1 51 ILE MD . . 4.100 2.894 2.555 3.196 . 0 0 "[ . 1 . 2]" 1
593 1 10 ALA H 1 51 ILE MD . . 4.880 2.777 2.458 3.136 . 0 0 "[ . 1 . 2]" 1
594 1 8 LEU H 1 51 ILE MD . . 4.850 4.571 4.046 4.850 0.000 17 0 "[ . 1 . 2]" 1
595 1 51 ILE MG 1 52 ASN HA . . 4.680 3.981 3.806 4.229 . 0 0 "[ . 1 . 2]" 1
596 1 52 ASN HA 1 53 PHE HB2 . . 4.990 4.624 4.572 4.699 . 0 0 "[ . 1 . 2]" 1
597 1 7 GLY HA2 1 52 ASN HA . . 4.100 2.076 2.001 2.314 . 0 0 "[ . 1 . 2]" 1
598 1 52 ASN HB3 1 53 PHE H . . 4.940 3.474 3.050 3.920 . 0 0 "[ . 1 . 2]" 1
599 1 52 ASN H 1 52 ASN HB3 . . 4.010 3.343 2.955 3.703 . 0 0 "[ . 1 . 2]" 1
600 1 52 ASN HB2 1 53 PHE H . . 4.940 4.317 3.904 4.524 . 0 0 "[ . 1 . 2]" 1
601 1 53 PHE HB3 1 59 ALA MB . . 4.160 4.074 3.813 4.161 0.001 16 0 "[ . 1 . 2]" 1
602 1 53 PHE HB2 1 55 ASN H . . 4.350 2.934 2.585 3.256 . 0 0 "[ . 1 . 2]" 1
603 1 37 ASP HB3 1 54 SER HB2 . . 4.310 3.146 2.403 4.215 . 0 0 "[ . 1 . 2]" 1
604 1 37 ASP HB2 1 54 SER HB2 . . 4.310 3.648 3.070 4.272 . 0 0 "[ . 1 . 2]" 1
605 1 54 SER HB2 1 55 ASN H . . 4.540 4.269 3.935 4.461 . 0 0 "[ . 1 . 2]" 1
606 1 54 SER H 1 54 SER HB2 . . 3.990 3.198 2.327 3.690 . 0 0 "[ . 1 . 2]" 1
607 1 55 ASN HA 1 56 PRO HB3 . . 5.310 4.834 4.829 4.847 . 0 0 "[ . 1 . 2]" 1
608 1 6 SER HB3 1 56 PRO HA . . 4.420 2.678 2.054 4.224 . 0 0 "[ . 1 . 2]" 1
609 1 6 SER HB2 1 56 PRO HA . . 4.420 3.142 2.143 3.951 . 0 0 "[ . 1 . 2]" 1
610 1 56 PRO HA 1 59 ALA H . . 4.510 3.845 3.490 4.079 . 0 0 "[ . 1 . 2]" 1
611 1 56 PRO HA 1 60 ALA H . . 5.500 4.904 4.499 5.177 . 0 0 "[ . 1 . 2]" 1
612 1 56 PRO HD3 1 57 LEU H . . 4.540 3.972 3.839 4.052 . 0 0 "[ . 1 . 2]" 1
613 1 55 ASN H 1 56 PRO HD2 . . 5.240 4.803 4.773 4.828 . 0 0 "[ . 1 . 2]" 1
614 1 56 PRO HB2 1 57 LEU HA . . 4.700 4.274 4.090 4.344 . 0 0 "[ . 1 . 2]" 1
615 1 57 LEU HA 1 60 ALA H . . 4.150 3.901 3.725 4.059 . 0 0 "[ . 1 . 2]" 1
616 1 57 LEU H 1 57 LEU MD1 . . 4.290 3.138 2.452 3.625 . 0 0 "[ . 1 . 2]" 1
617 1 38 THR HA 1 51 ILE MG . . 4.880 4.163 4.002 4.354 . 0 0 "[ . 1 . 2]" 1
618 1 38 THR HA 1 39 THR MG . . 4.200 3.709 3.420 4.115 . 0 0 "[ . 1 . 2]" 1
619 1 57 LEU HB3 1 58 SER HA . . 5.310 4.127 3.903 4.458 . 0 0 "[ . 1 . 2]" 1
620 1 58 SER HA 1 60 ALA MB . . 5.500 4.462 4.298 4.605 . 0 0 "[ . 1 . 2]" 1
621 1 58 SER HB2 1 59 ALA MB . . 4.950 4.859 4.638 4.954 0.004 9 0 "[ . 1 . 2]" 1
622 1 58 SER HB3 1 59 ALA MB . . 5.120 4.175 4.055 4.369 . 0 0 "[ . 1 . 2]" 1
623 1 53 PHE HB2 1 58 SER HB2 . . 5.500 4.955 4.349 5.235 . 0 0 "[ . 1 . 2]" 1
624 1 53 PHE HB3 1 58 SER HB2 . . 4.300 3.903 3.326 4.224 . 0 0 "[ . 1 . 2]" 1
625 1 55 ASN H 1 58 SER HB2 . . 4.480 4.330 3.885 4.473 . 0 0 "[ . 1 . 2]" 1
626 1 53 PHE HB2 1 58 SER HB3 . . 4.510 4.363 4.120 4.516 0.006 17 0 "[ . 1 . 2]" 1
627 1 53 PHE HB3 1 58 SER HB3 . . 4.140 3.428 3.183 3.678 . 0 0 "[ . 1 . 2]" 1
628 1 53 PHE QE 1 58 SER HB3 . . 4.600 3.426 3.195 3.760 . 0 0 "[ . 1 . 2]" 1
629 1 34 TYR QD 1 58 SER HB3 . . 5.500 4.531 4.107 4.876 . 0 0 "[ . 1 . 2]" 1
630 1 53 PHE QD 1 58 SER HB3 . . 3.790 2.284 2.041 2.594 . 0 0 "[ . 1 . 2]" 1
631 1 55 ASN H 1 58 SER HB3 . . 4.910 4.822 4.574 4.912 0.002 3 0 "[ . 1 . 2]" 1
632 1 58 SER H 1 58 SER HB3 . . 3.420 3.224 3.146 3.366 . 0 0 "[ . 1 . 2]" 1
633 1 8 LEU MD2 1 59 ALA HA . . 4.960 4.446 4.202 4.777 . 0 0 "[ . 1 . 2]" 1
634 1 8 LEU MD1 1 59 ALA HA . . 4.960 2.042 1.967 2.310 . 0 0 "[ . 1 . 2]" 1
635 1 8 LEU HG 1 59 ALA HA . . 4.220 3.890 3.609 4.189 . 0 0 "[ . 1 . 2]" 1
636 1 53 PHE QE 1 59 ALA HA . . 4.020 3.373 3.076 3.557 . 0 0 "[ . 1 . 2]" 1
637 1 53 PHE QD 1 59 ALA HA . . 4.420 3.641 3.432 3.795 . 0 0 "[ . 1 . 2]" 1
638 1 59 ALA HA 1 62 ALA H . . 4.720 3.926 3.687 4.143 . 0 0 "[ . 1 . 2]" 1
639 1 58 SER H 1 59 ALA HA . . 5.500 5.413 5.295 5.500 . 0 0 "[ . 1 . 2]" 1
640 1 59 ALA HA 1 61 ASP H . . 5.500 5.170 4.919 5.339 . 0 0 "[ . 1 . 2]" 1
641 1 56 PRO HB3 1 59 ALA MB . . 4.880 4.400 4.137 4.691 . 0 0 "[ . 1 . 2]" 1
642 1 59 ALA MB 1 60 ALA HA . . 4.370 3.865 3.796 3.952 . 0 0 "[ . 1 . 2]" 1
643 1 59 ALA MB 1 80 PHE QE . . 3.820 2.839 2.365 3.757 . 0 0 "[ . 1 . 2]" 1
644 1 58 SER H 1 59 ALA MB . . 4.610 4.435 4.326 4.523 . 0 0 "[ . 1 . 2]" 1
645 1 8 LEU MD2 1 60 ALA HA . . 4.850 4.574 4.156 4.853 0.003 5 0 "[ . 1 . 2]" 1
646 1 8 LEU MD1 1 60 ALA HA . . 4.850 4.112 3.897 4.219 . 0 0 "[ . 1 . 2]" 1
647 1 60 ALA HA 1 63 ARG H . . 4.120 3.521 3.284 3.901 . 0 0 "[ . 1 . 2]" 1
648 1 59 ALA MB 1 60 ALA MB . . 4.870 3.744 3.652 3.832 . 0 0 "[ . 1 . 2]" 1
649 1 60 ALA MB 1 61 ASP HB2 . . 4.570 3.936 3.841 4.046 . 0 0 "[ . 1 . 2]" 1
650 1 59 ALA HA 1 60 ALA MB . . 5.500 4.996 4.963 5.011 . 0 0 "[ . 1 . 2]" 1
651 1 60 ALA MB 1 61 ASP HA . . 4.270 3.608 3.579 3.701 . 0 0 "[ . 1 . 2]" 1
652 1 61 ASP HA 1 64 LEU MD1 . . 4.660 4.392 4.243 4.660 . 0 0 "[ . 1 . 2]" 1
653 1 61 ASP HA 1 64 LEU HG . . 4.620 3.124 2.932 3.575 . 0 0 "[ . 1 . 2]" 1
654 1 61 ASP HA 1 64 LEU H . . 3.950 3.542 3.138 3.950 . 0 0 "[ . 1 . 2]" 1
655 1 61 ASP HA 1 65 ARG H . . 4.510 4.018 3.728 4.309 . 0 0 "[ . 1 . 2]" 1
656 1 61 ASP HB3 1 62 ALA MB . . 4.850 4.271 4.135 4.392 . 0 0 "[ . 1 . 2]" 1
657 1 60 ALA MB 1 61 ASP HB3 . . 5.390 5.051 4.879 5.175 . 0 0 "[ . 1 . 2]" 1
658 1 61 ASP HB3 1 64 LEU HG . . 5.500 4.679 4.245 5.363 . 0 0 "[ . 1 . 2]" 1
659 1 61 ASP HB2 1 62 ALA MB . . 5.060 4.746 4.599 5.030 . 0 0 "[ . 1 . 2]" 1
660 1 34 TYR QD 1 61 ASP HB2 . . 5.500 5.379 5.063 5.501 0.001 2 0 "[ . 1 . 2]" 1
661 1 62 ALA HA 1 66 LEU MD1 . . 4.390 3.115 2.779 3.530 . 0 0 "[ . 1 . 2]" 1
662 1 34 TYR QD 1 62 ALA HA . . 4.870 3.737 3.461 4.019 . 0 0 "[ . 1 . 2]" 1
663 1 34 TYR HB2 1 62 ALA MB . . 4.290 4.228 4.042 4.296 0.006 9 0 "[ . 1 . 2]" 1
664 1 31 PHE HA 1 62 ALA MB . . 4.520 3.444 3.247 3.590 . 0 0 "[ . 1 . 2]" 1
665 1 31 PHE QE 1 62 ALA MB . . 3.970 3.259 2.853 3.730 . 0 0 "[ . 1 . 2]" 1
666 1 59 ALA H 1 62 ALA MB . . 4.760 4.479 4.250 4.743 . 0 0 "[ . 1 . 2]" 1
667 1 61 ASP H 1 62 ALA MB . . 4.830 4.430 4.341 4.563 . 0 0 "[ . 1 . 2]" 1
668 1 63 ARG HA 1 63 ARG HD3 . . 5.130 4.389 4.025 4.715 . 0 0 "[ . 1 . 2]" 1
669 1 63 ARG HA 1 67 HIS HB2 . . 4.870 3.448 3.297 3.657 . 0 0 "[ . 1 . 2]" 1
670 1 63 ARG HA 1 67 HIS H . . 4.520 4.458 4.265 4.521 0.001 10 0 "[ . 1 . 2]" 1
671 1 63 ARG HA 1 65 ARG H . . 4.440 4.333 4.007 4.447 0.007 9 0 "[ . 1 . 2]" 1
672 1 63 ARG HA 1 63 ARG HD2 . . 5.130 4.505 4.057 4.808 . 0 0 "[ . 1 . 2]" 1
673 1 63 ARG H 1 63 ARG HG3 . . 5.060 4.411 4.165 4.645 . 0 0 "[ . 1 . 2]" 1
674 1 63 ARG HG2 1 67 HIS HB2 . . 4.450 3.163 2.773 3.520 . 0 0 "[ . 1 . 2]" 1
675 1 63 ARG HG2 1 67 HIS HB3 . . 4.850 4.427 4.038 4.713 . 0 0 "[ . 1 . 2]" 1
676 1 63 ARG H 1 63 ARG HG2 . . 5.500 4.500 4.318 4.624 . 0 0 "[ . 1 . 2]" 1
677 1 60 ALA HA 1 63 ARG QB . . 4.080 3.155 2.970 3.409 . 0 0 "[ . 1 . 2]" 1
678 1 64 LEU HA 1 64 LEU HG . . 3.890 3.694 3.563 3.724 . 0 0 "[ . 1 . 2]" 1
679 1 8 LEU HG 1 53 PHE QD . . 4.510 4.132 3.682 4.307 . 0 0 "[ . 1 . 2]" 1
680 1 64 LEU H 1 64 LEU HG . . 3.940 3.208 2.946 3.703 . 0 0 "[ . 1 . 2]" 1
681 1 64 LEU HG 1 65 ARG H . . 3.950 2.085 1.898 2.516 . 0 0 "[ . 1 . 2]" 1
682 1 8 LEU H 1 8 LEU HG . . 4.650 3.711 3.276 3.906 . 0 0 "[ . 1 . 2]" 1
683 1 61 ASP HA 1 64 LEU MD2 . . 4.660 2.155 2.000 2.318 . 0 0 "[ . 1 . 2]" 1
684 1 64 LEU H 1 64 LEU MD2 . . 4.720 3.546 3.415 3.767 . 0 0 "[ . 1 . 2]" 1
685 1 64 LEU MD1 1 65 ARG HA . . 5.500 2.628 2.362 3.344 . 0 0 "[ . 1 . 2]" 1
686 1 64 LEU MD2 1 65 ARG HA . . 5.500 4.673 4.478 4.762 . 0 0 "[ . 1 . 2]" 1
687 1 65 ARG HA 1 66 LEU HG . . 4.860 4.592 4.345 4.860 0.000 20 0 "[ . 1 . 2]" 1
688 1 65 ARG QB 1 66 LEU MD1 . . 5.400 3.853 3.691 4.047 . 0 0 "[ . 1 . 2]" 1
689 1 65 ARG QB 1 66 LEU MD2 . . 4.550 3.076 2.728 3.333 . 0 0 "[ . 1 . 2]" 1
690 1 62 ALA MB 1 65 ARG QB . . 4.750 4.224 3.918 4.684 . 0 0 "[ . 1 . 2]" 1
691 1 65 ARG QB 1 66 LEU HB2 . . 5.270 4.699 4.615 4.820 . 0 0 "[ . 1 . 2]" 1
692 1 65 ARG QB 1 66 LEU HG . . 3.800 2.792 2.730 2.945 . 0 0 "[ . 1 . 2]" 1
693 1 65 ARG QD 1 66 LEU MD2 . . 4.860 4.167 3.901 4.450 . 0 0 "[ . 1 . 2]" 1
694 1 65 ARG HA 1 65 ARG QD . . 3.830 3.412 3.231 3.756 . 0 0 "[ . 1 . 2]" 1
695 1 34 TYR QD 1 65 ARG QD . . 5.420 4.409 3.893 4.959 . 0 0 "[ . 1 . 2]" 1
696 1 65 ARG H 1 65 ARG QD . . 4.560 4.537 4.432 4.566 0.006 12 0 "[ . 1 . 2]" 1
697 1 66 LEU HB2 1 66 LEU MD1 . . 3.580 2.164 2.034 2.308 . 0 0 "[ . 1 . 2]" 1
698 1 66 LEU HB2 1 66 LEU MD2 . . 3.580 3.172 3.153 3.184 . 0 0 "[ . 1 . 2]" 1
699 1 66 LEU H 1 66 LEU HB3 . . 3.910 3.820 3.696 3.910 0.000 16 0 "[ . 1 . 2]" 1
700 1 66 LEU HB3 1 76 MET ME . . 4.420 2.058 1.865 2.252 . 0 0 "[ . 1 . 2]" 1
701 1 31 PHE QE 1 66 LEU MD2 . . 4.960 3.834 3.622 4.177 . 0 0 "[ . 1 . 2]" 1
702 1 30 LEU MD2 1 31 PHE H . . 5.200 4.623 4.479 4.831 . 0 0 "[ . 1 . 2]" 1
703 1 31 PHE H 1 66 LEU MD2 . . 5.500 4.459 4.216 4.866 . 0 0 "[ . 1 . 2]" 1
704 1 66 LEU H 1 66 LEU MD2 . . 4.300 3.757 3.603 3.964 . 0 0 "[ . 1 . 2]" 1
705 1 66 LEU MD2 1 67 HIS H . . 5.020 3.807 3.754 3.835 . 0 0 "[ . 1 . 2]" 1
706 1 66 LEU HA 1 66 LEU MD1 . . 4.460 3.976 3.942 3.991 . 0 0 "[ . 1 . 2]" 1
707 1 53 PHE HZ 1 66 LEU MD1 . . 4.720 4.203 4.079 4.418 . 0 0 "[ . 1 . 2]" 1
708 1 66 LEU H 1 66 LEU MD1 . . 4.480 3.809 3.531 4.007 . 0 0 "[ . 1 . 2]" 1
709 1 67 HIS HA 1 69 THR MG . . 5.440 4.915 4.686 5.036 . 0 0 "[ . 1 . 2]" 1
710 1 67 HIS HA 1 78 LEU HG . . 3.850 3.569 2.570 3.826 . 0 0 "[ . 1 . 2]" 1
711 1 67 HIS HA 1 77 LYS HA . . 4.340 3.203 2.933 3.336 . 0 0 "[ . 1 . 2]" 1
712 1 67 HIS HA 1 69 THR H . . 5.100 4.280 4.241 4.323 . 0 0 "[ . 1 . 2]" 1
713 1 67 HIS HA 1 78 LEU H . . 4.520 3.870 3.546 4.050 . 0 0 "[ . 1 . 2]" 1
714 1 63 ARG HG3 1 67 HIS HB3 . . 5.160 4.839 4.457 5.023 . 0 0 "[ . 1 . 2]" 1
715 1 66 LEU HB2 1 67 HIS HB3 . . 5.060 4.989 4.965 5.032 . 0 0 "[ . 1 . 2]" 1
716 1 67 HIS HB3 1 68 LYS HB3 . . 5.120 5.019 4.972 5.077 . 0 0 "[ . 1 . 2]" 1
717 1 67 HIS HB3 1 68 LYS H . . 3.490 1.961 1.926 1.990 . 0 0 "[ . 1 . 2]" 1
718 1 67 HIS HB2 1 68 LYS H . . 4.150 3.322 3.300 3.340 . 0 0 "[ . 1 . 2]" 1
719 1 66 LEU HB2 1 67 HIS HB2 . . 4.210 3.776 3.745 3.849 . 0 0 "[ . 1 . 2]" 1
720 1 63 ARG HG3 1 67 HIS HB2 . . 4.640 3.268 2.875 3.474 . 0 0 "[ . 1 . 2]" 1
721 1 68 LYS HA 1 68 LYS HG2 . . 4.200 3.052 2.710 3.303 . 0 0 "[ . 1 . 2]" 1
722 1 67 HIS HA 1 68 LYS HA . . 4.490 4.465 4.453 4.478 . 0 0 "[ . 1 . 2]" 1
723 1 68 LYS H 1 68 LYS HG3 . . 4.440 2.355 1.987 2.533 . 0 0 "[ . 1 . 2]" 1
724 1 35 ASP HA 1 38 THR MG . . 4.660 4.360 4.031 4.661 0.001 20 0 "[ . 1 . 2]" 1
725 1 68 LYS H 1 68 LYS HG2 . . 4.440 3.789 3.549 3.876 . 0 0 "[ . 1 . 2]" 1
726 1 68 LYS HB2 1 68 LYS HE2 . . 3.760 3.131 2.023 3.761 0.001 16 0 "[ . 1 . 2]" 1
727 1 67 HIS HD2 1 68 LYS HD2 . . 5.500 4.205 2.900 5.305 . 0 0 "[ . 1 . 2]" 1
728 1 68 LYS HB2 1 69 THR HA . . 4.580 4.341 4.134 4.458 . 0 0 "[ . 1 . 2]" 1
729 1 69 THR HA 1 70 GLU HB2 . . 4.930 4.213 4.169 4.259 . 0 0 "[ . 1 . 2]" 1
730 1 66 LEU MD2 1 69 THR HB . . 4.830 4.757 4.676 4.837 0.007 7 0 "[ . 1 . 2]" 1
731 1 69 THR HB 1 70 GLU HB2 . . 5.250 5.028 4.926 5.185 . 0 0 "[ . 1 . 2]" 1
732 1 66 LEU MD1 1 69 THR MG . . 5.500 5.457 5.208 5.516 0.016 6 0 "[ . 1 . 2]" 1
733 1 66 LEU HB3 1 69 THR MG . . 4.640 4.360 4.020 4.458 . 0 0 "[ . 1 . 2]" 1
734 1 68 LYS HB2 1 69 THR MG . . 4.260 3.985 3.741 4.203 . 0 0 "[ . 1 . 2]" 1
735 1 68 LYS HA 1 69 THR MG . . 5.500 5.139 4.977 5.282 . 0 0 "[ . 1 . 2]" 1
736 1 66 LEU H 1 69 THR MG . . 5.320 3.680 3.479 4.018 . 0 0 "[ . 1 . 2]" 1
737 1 70 GLU HA 1 70 GLU HG2 . . 3.900 2.560 2.455 2.910 . 0 0 "[ . 1 . 2]" 1
738 1 70 GLU HB2 1 71 PHE H . . 4.640 4.639 4.604 4.660 0.020 15 0 "[ . 1 . 2]" 1
739 1 70 GLU HB2 1 73 GLY HA2 . . 5.440 4.806 4.555 5.097 . 0 0 "[ . 1 . 2]" 1
740 1 70 GLU HB3 1 71 PHE H . . 4.140 4.068 3.931 4.132 . 0 0 "[ . 1 . 2]" 1
741 1 70 GLU HB3 1 74 LYS H . . 5.010 4.621 4.054 4.880 . 0 0 "[ . 1 . 2]" 1
742 1 70 GLU HG2 1 75 GLU HA . . 4.430 4.149 3.843 4.432 0.002 2 0 "[ . 1 . 2]" 1
743 1 70 GLU H 1 70 GLU HG2 . . 4.410 4.282 4.190 4.387 . 0 0 "[ . 1 . 2]" 1
744 1 70 GLU HG2 1 71 PHE H . . 4.690 4.390 4.150 4.661 . 0 0 "[ . 1 . 2]" 1
745 1 70 GLU HG3 1 73 GLY HA2 . . 5.390 4.959 4.770 5.166 . 0 0 "[ . 1 . 2]" 1
746 1 70 GLU HA 1 70 GLU HG3 . . 3.930 2.475 2.236 2.599 . 0 0 "[ . 1 . 2]" 1
747 1 70 GLU H 1 70 GLU HG3 . . 3.830 3.283 3.153 3.502 . 0 0 "[ . 1 . 2]" 1
748 1 70 GLU HG3 1 71 PHE H . . 4.890 4.702 4.391 4.827 . 0 0 "[ . 1 . 2]" 1
749 1 70 GLU HG3 1 75 GLU HA . . 4.460 3.905 3.292 4.339 . 0 0 "[ . 1 . 2]" 1
750 1 71 PHE QB 1 76 MET QG . . 4.620 4.353 4.181 4.594 . 0 0 "[ . 1 . 2]" 1
751 1 72 LEU HA 1 72 LEU HG . . 4.180 2.728 2.197 3.705 . 0 0 "[ . 1 . 2]" 1
752 1 71 PHE HA 1 72 LEU HA . . 4.560 4.384 4.362 4.542 . 0 0 "[ . 1 . 2]" 1
753 1 14 ASN HD21 1 72 LEU HB2 . . 4.460 3.078 2.262 3.589 . 0 0 "[ . 1 . 2]" 1
754 1 14 ASN HD22 1 72 LEU HB3 . . 4.460 3.309 2.373 4.171 . 0 0 "[ . 1 . 2]" 1
755 1 14 ASN HD22 1 72 LEU HB2 . . 4.460 3.518 2.984 3.972 . 0 0 "[ . 1 . 2]" 1
756 1 71 PHE HZ 1 72 LEU HG . . 5.500 4.515 3.119 5.447 . 0 0 "[ . 1 . 2]" 1
757 1 71 PHE QE 1 72 LEU HG . . 5.500 4.103 2.801 5.003 . 0 0 "[ . 1 . 2]" 1
758 1 72 LEU H 1 72 LEU HG . . 4.580 3.569 2.819 4.582 0.002 15 0 "[ . 1 . 2]" 1
759 1 26 LYS HD3 1 72 LEU MD1 . . 4.000 2.812 2.254 3.688 . 0 0 "[ . 1 . 2]" 1
760 1 26 LYS HB2 1 72 LEU MD1 . . 5.500 3.250 2.621 4.802 . 0 0 "[ . 1 . 2]" 1
761 1 72 LEU H 1 72 LEU MD1 . . 4.960 3.726 2.838 4.484 . 0 0 "[ . 1 . 2]" 1
762 1 26 LYS HD2 1 72 LEU MD2 . . 4.270 3.391 2.197 4.264 . 0 0 "[ . 1 . 2]" 1
763 1 26 LYS HD3 1 72 LEU MD2 . . 4.000 2.811 2.183 3.292 . 0 0 "[ . 1 . 2]" 1
764 1 26 LYS HB3 1 72 LEU MD2 . . 5.500 3.763 2.580 4.741 . 0 0 "[ . 1 . 2]" 1
765 1 71 PHE HZ 1 72 LEU MD2 . . 4.710 3.977 2.227 4.710 0.000 13 0 "[ . 1 . 2]" 1
766 1 71 PHE QD 1 72 LEU MD2 . . 5.120 4.365 2.721 5.121 0.001 13 0 "[ . 1 . 2]" 1
767 1 70 GLU HB3 1 73 GLY HA2 . . 4.480 3.168 2.897 3.463 . 0 0 "[ . 1 . 2]" 1
768 1 70 GLU HG2 1 73 GLY HA2 . . 4.930 3.333 3.113 3.698 . 0 0 "[ . 1 . 2]" 1
769 1 70 GLU HB3 1 73 GLY HA3 . . 5.140 4.779 4.496 5.142 0.002 17 0 "[ . 1 . 2]" 1
770 1 70 GLU HG2 1 73 GLY HA3 . . 4.960 4.696 4.505 4.907 . 0 0 "[ . 1 . 2]" 1
771 1 12 VAL HB 1 18 PHE QE . . 4.560 2.781 2.320 3.249 . 0 0 "[ . 1 . 2]" 1
772 1 12 VAL HB 1 13 ALA H . . 5.060 3.418 2.704 3.676 . 0 0 "[ . 1 . 2]" 1
773 1 74 LYS HB3 1 75 GLU H . . 4.980 3.137 2.457 3.690 . 0 0 "[ . 1 . 2]" 1
774 1 14 ASN QB 1 74 LYS QG . . 5.070 3.585 2.931 5.072 0.002 20 0 "[ . 1 . 2]" 1
775 1 73 GLY HA3 1 74 LYS QG . . 4.780 3.871 3.570 4.489 . 0 0 "[ . 1 . 2]" 1
776 1 47 LYS H 1 47 LYS HG3 . . 4.300 4.012 3.724 4.287 . 0 0 "[ . 1 . 2]" 1
777 1 68 LYS HA 1 75 GLU HB2 . . 5.000 4.301 4.034 4.566 . 0 0 "[ . 1 . 2]" 1
778 1 68 LYS HA 1 75 GLU HB3 . . 5.000 4.837 4.545 5.005 0.005 12 0 "[ . 1 . 2]" 1
779 1 68 LYS HA 1 75 GLU HG2 . . 4.090 2.734 2.016 3.425 . 0 0 "[ . 1 . 2]" 1
780 1 68 LYS HA 1 75 GLU HG3 . . 4.090 2.161 1.998 2.511 . 0 0 "[ . 1 . 2]" 1
781 1 75 GLU HA 1 75 GLU HG3 . . 4.030 2.922 2.665 3.257 . 0 0 "[ . 1 . 2]" 1
782 1 75 GLU HG3 1 76 MET H . . 4.100 3.395 2.349 4.038 . 0 0 "[ . 1 . 2]" 1
783 1 75 GLU HG2 1 76 MET H . . 4.100 3.142 2.591 3.665 . 0 0 "[ . 1 . 2]" 1
784 1 76 MET HA 1 76 MET ME . . 5.500 4.540 4.350 4.785 . 0 0 "[ . 1 . 2]" 1
785 1 12 VAL HA 1 76 MET HA . . 4.290 3.137 2.739 3.420 . 0 0 "[ . 1 . 2]" 1
786 1 71 PHE QB 1 76 MET HB3 . . 4.600 2.959 2.611 3.244 . 0 0 "[ . 1 . 2]" 1
787 1 71 PHE QB 1 76 MET HB2 . . 4.600 3.098 2.554 3.392 . 0 0 "[ . 1 . 2]" 1
788 1 75 GLU HA 1 76 MET HB2 . . 4.980 4.811 4.545 4.967 . 0 0 "[ . 1 . 2]" 1
789 1 75 GLU HA 1 76 MET HB3 . . 4.980 4.348 4.253 4.603 . 0 0 "[ . 1 . 2]" 1
790 1 76 MET HB2 1 77 LYS H . . 4.700 3.788 3.512 4.170 . 0 0 "[ . 1 . 2]" 1
791 1 76 MET HB3 1 77 LYS H . . 4.700 4.095 3.864 4.266 . 0 0 "[ . 1 . 2]" 1
792 1 76 MET H 1 76 MET HB3 . . 3.800 2.376 2.270 2.508 . 0 0 "[ . 1 . 2]" 1
793 1 10 ALA MB 1 76 MET QG . . 4.350 3.100 2.809 3.378 . 0 0 "[ . 1 . 2]" 1
794 1 76 MET QG 1 78 LEU HG . . 4.010 3.349 3.047 3.633 . 0 0 "[ . 1 . 2]" 1
795 1 12 VAL HA 1 76 MET QG . . 4.570 3.066 2.628 3.773 . 0 0 "[ . 1 . 2]" 1
796 1 27 PHE QE 1 76 MET QG . . 4.990 3.342 2.159 4.119 . 0 0 "[ . 1 . 2]" 1
797 1 76 MET QG 1 77 LYS H . . 4.090 2.154 1.914 2.532 . 0 0 "[ . 1 . 2]" 1
798 1 67 HIS H 1 76 MET QG . . 5.490 3.921 3.134 4.637 . 0 0 "[ . 1 . 2]" 1
799 1 76 MET H 1 76 MET QG . . 4.190 3.905 3.717 4.112 . 0 0 "[ . 1 . 2]" 1
800 1 68 LYS H 1 77 LYS HA . . 4.250 3.988 3.778 4.140 . 0 0 "[ . 1 . 2]" 1
801 1 11 CYS HB3 1 77 LYS HB3 . . 4.120 3.212 2.187 3.764 . 0 0 "[ . 1 . 2]" 1
802 1 11 CYS HB2 1 77 LYS HB3 . . 4.120 3.509 2.332 4.067 . 0 0 "[ . 1 . 2]" 1
803 1 77 LYS HB3 1 79 TYR QE . . 4.340 2.535 2.006 3.483 . 0 0 "[ . 1 . 2]" 1
804 1 77 LYS HB2 1 79 TYR QE . . 4.240 3.630 3.038 4.198 . 0 0 "[ . 1 . 2]" 1
805 1 77 LYS H 1 77 LYS HB3 . . 4.170 3.462 3.341 3.603 . 0 0 "[ . 1 . 2]" 1
806 1 67 HIS HE1 1 77 LYS HB2 . . 4.830 4.720 4.528 4.834 0.004 9 0 "[ . 1 . 2]" 1
807 1 9 ILE MG 1 78 LEU HA . . 4.990 4.620 4.312 4.874 . 0 0 "[ . 1 . 2]" 1
808 1 78 LEU HA 1 78 LEU HG . . 3.660 2.454 2.292 2.913 . 0 0 "[ . 1 . 2]" 1
809 1 78 LEU HA 1 79 TYR HB2 . . 4.950 4.468 4.280 4.743 . 0 0 "[ . 1 . 2]" 1
810 1 11 CYS H 1 78 LEU HA . . 4.350 3.101 2.882 3.413 . 0 0 "[ . 1 . 2]" 1
811 1 78 LEU H 1 78 LEU HG . . 4.770 3.873 3.398 4.070 . 0 0 "[ . 1 . 2]" 1
812 1 63 ARG HA 1 78 LEU MD2 . . 4.500 3.655 3.237 4.266 . 0 0 "[ . 1 . 2]" 1
813 1 67 HIS H 1 78 LEU MD2 . . 5.500 4.397 4.007 4.943 . 0 0 "[ . 1 . 2]" 1
814 1 78 LEU MD2 1 79 TYR H . . 5.430 3.242 2.721 3.647 . 0 0 "[ . 1 . 2]" 1
815 1 66 LEU MD1 1 78 LEU MD1 . . 4.030 2.350 2.129 2.652 . 0 0 "[ . 1 . 2]" 1
816 1 76 MET QG 1 78 LEU MD1 . . 4.700 3.336 2.321 4.257 . 0 0 "[ . 1 . 2]" 1
817 1 78 LEU HA 1 78 LEU MD1 . . 4.730 3.759 3.663 3.905 . 0 0 "[ . 1 . 2]" 1
818 1 31 PHE HZ 1 78 LEU MD1 . . 4.270 3.439 2.595 4.192 . 0 0 "[ . 1 . 2]" 1
819 1 67 HIS H 1 78 LEU MD1 . . 5.500 1.904 1.788 2.301 . 0 0 "[ . 1 . 2]" 1
820 1 78 LEU MD1 1 79 TYR H . . 5.430 5.062 4.910 5.201 . 0 0 "[ . 1 . 2]" 1
821 1 9 ILE MG 1 79 TYR HB3 . . 5.010 4.725 4.415 5.010 . 0 0 "[ . 1 . 2]" 1
822 1 9 ILE HB 1 79 TYR HB3 . . 4.460 3.679 3.234 3.913 . 0 0 "[ . 1 . 2]" 1
823 1 79 TYR H 1 79 TYR HB3 . . 3.910 3.774 3.686 3.823 . 0 0 "[ . 1 . 2]" 1
824 1 79 TYR H 1 79 TYR HB2 . . 3.860 2.647 2.537 2.759 . 0 0 "[ . 1 . 2]" 1
825 1 17 VAL MG2 1 27 PHE HB3 . . 4.240 3.834 3.592 4.130 . 0 0 "[ . 1 . 2]" 1
826 1 80 PHE H 1 80 PHE HB2 . . 4.000 2.162 2.097 2.248 . 0 0 "[ . 1 . 2]" 1
827 1 80 PHE HB2 1 81 ALA H . . 4.660 4.562 4.291 4.638 . 0 0 "[ . 1 . 2]" 1
828 1 9 ILE HB 1 81 ALA MB . . 4.620 4.387 4.033 4.621 0.001 15 0 "[ . 1 . 2]" 1
829 1 82 GLN QG 1 83 THR MG . . 4.560 3.801 2.274 4.555 . 0 0 "[ . 1 . 2]" 1
830 1 83 THR HA 1 84 LEU HG . . 5.500 4.688 3.554 5.443 . 0 0 "[ . 1 . 2]" 1
831 1 83 THR HB 1 84 LEU H . . 4.750 3.322 1.914 4.550 . 0 0 "[ . 1 . 2]" 1
832 1 39 THR MG 1 52 ASN HB2 . . 5.500 3.705 2.678 4.533 . 0 0 "[ . 1 . 2]" 1
833 1 39 THR MG 1 52 ASN HB3 . . 5.500 3.743 2.738 4.586 . 0 0 "[ . 1 . 2]" 1
834 1 39 THR MG 1 40 PHE QD . . 4.890 4.757 4.552 4.889 . 0 0 "[ . 1 . 2]" 1
835 1 39 THR MG 1 40 PHE H . . 4.150 3.980 3.667 4.140 . 0 0 "[ . 1 . 2]" 1
836 1 84 LEU H 1 84 LEU HG . . 4.950 3.099 1.935 4.471 . 0 0 "[ . 1 . 2]" 1
837 1 85 HIS QB 1 86 ILE HA . . 5.100 4.312 3.714 4.945 . 0 0 "[ . 1 . 2]" 1
838 1 45 SER HA 1 47 LYS H . . 5.500 4.074 3.741 4.304 . 0 0 "[ . 1 . 2]" 1
839 1 86 ILE MG 1 88 SER QB . . 5.500 4.668 2.599 5.474 . 0 0 "[ . 1 . 2]" 1
840 1 91 LEU HA 1 91 LEU HG . . 4.160 2.591 2.124 3.745 . 0 0 "[ . 1 . 2]" 1
841 1 93 PRO HB2 1 94 PRO HD2 . . 4.240 2.366 2.003 2.746 . 0 0 "[ . 1 . 2]" 1
842 1 12 VAL MG2 1 48 ARG HA . . 4.420 4.191 3.871 4.412 . 0 0 "[ . 1 . 2]" 1
843 1 11 CYS HA 1 48 ARG HA . . 3.870 2.885 2.298 3.276 . 0 0 "[ . 1 . 2]" 1
844 1 12 VAL H 1 48 ARG HA . . 4.280 3.685 3.199 4.152 . 0 0 "[ . 1 . 2]" 1
845 1 46 PHE HB2 1 48 ARG HB2 . . 5.220 2.667 2.455 3.131 . 0 0 "[ . 1 . 2]" 1
846 1 43 PHE QD 1 48 ARG HB3 . . 4.970 2.730 2.370 3.198 . 0 0 "[ . 1 . 2]" 1
847 1 43 PHE QD 1 48 ARG HB2 . . 4.970 2.748 2.278 3.350 . 0 0 "[ . 1 . 2]" 1
848 1 46 PHE HB3 1 48 ARG HD2 . . 5.340 3.893 2.685 4.933 . 0 0 "[ . 1 . 2]" 1
849 1 46 PHE HB3 1 48 ARG HD3 . . 5.340 4.665 4.262 4.971 . 0 0 "[ . 1 . 2]" 1
850 1 47 LYS HA 1 47 LYS QD . . 4.330 2.391 2.003 2.756 . 0 0 "[ . 1 . 2]" 1
851 1 18 PHE HZ 1 47 LYS HA . . 3.900 2.755 2.080 3.325 . 0 0 "[ . 1 . 2]" 1
852 1 18 PHE QE 1 47 LYS HA . . 4.110 2.602 2.272 3.076 . 0 0 "[ . 1 . 2]" 1
853 1 47 LYS H 1 47 LYS HG2 . . 4.300 2.630 2.307 4.300 0.000 16 0 "[ . 1 . 2]" 1
854 1 47 LYS HA 1 47 LYS HG3 . . 3.950 3.663 2.427 3.853 . 0 0 "[ . 1 . 2]" 1
855 1 46 PHE HB3 1 48 ARG QG . . 3.910 3.374 2.826 3.871 . 0 0 "[ . 1 . 2]" 1
856 1 46 PHE HB3 1 48 ARG H . . 5.000 4.200 3.780 4.583 . 0 0 "[ . 1 . 2]" 1
857 1 46 PHE HB3 1 47 LYS H . . 5.160 4.420 4.192 4.501 . 0 0 "[ . 1 . 2]" 1
858 1 46 PHE HB2 1 48 ARG HB3 . . 5.220 4.348 4.116 4.838 . 0 0 "[ . 1 . 2]" 1
859 1 46 PHE HB2 1 48 ARG QG . . 4.200 3.780 3.391 4.190 . 0 0 "[ . 1 . 2]" 1
860 1 43 PHE HB2 1 46 PHE HB2 . . 3.810 2.975 2.331 3.337 . 0 0 "[ . 1 . 2]" 1
861 1 46 PHE HB2 1 48 ARG H . . 4.790 3.266 2.950 3.583 . 0 0 "[ . 1 . 2]" 1
862 1 46 PHE HB2 1 47 LYS H . . 5.200 3.857 3.498 3.974 . 0 0 "[ . 1 . 2]" 1
863 1 43 PHE HB3 1 46 PHE HB2 . . 4.450 3.150 2.166 3.500 . 0 0 "[ . 1 . 2]" 1
864 1 43 PHE HB3 1 46 PHE HA . . 5.420 5.250 4.623 5.405 . 0 0 "[ . 1 . 2]" 1
865 1 43 PHE HB2 1 46 PHE HA . . 5.400 5.256 4.820 5.402 0.002 12 0 "[ . 1 . 2]" 1
866 1 43 PHE HB3 1 48 ARG H . . 4.490 3.782 3.376 4.276 . 0 0 "[ . 1 . 2]" 1
867 1 43 PHE H 1 43 PHE HB2 . . 3.990 2.598 2.489 2.678 . 0 0 "[ . 1 . 2]" 1
868 1 43 PHE HB2 1 48 ARG QG . . 4.860 4.648 4.309 4.859 . 0 0 "[ . 1 . 2]" 1
869 1 42 TYR HA 1 49 VAL MG1 . . 4.010 3.099 2.779 3.333 . 0 0 "[ . 1 . 2]" 1
870 1 33 THR MG 1 34 TYR HA . . 4.200 3.276 2.880 3.596 . 0 0 "[ . 1 . 2]" 1
871 1 42 TYR HA 1 42 TYR QD . . 3.830 3.025 2.835 3.163 . 0 0 "[ . 1 . 2]" 1
872 1 18 PHE QE 1 42 TYR HA . . 4.180 3.973 3.748 4.178 . 0 0 "[ . 1 . 2]" 1
873 1 42 TYR QB 1 49 VAL MG2 . . 5.500 3.673 3.141 4.212 . 0 0 "[ . 1 . 2]" 1
874 1 41 GLN HA 1 42 TYR QB . . 4.740 4.365 4.312 4.430 . 0 0 "[ . 1 . 2]" 1
875 1 18 PHE QD 1 42 TYR QB . . 3.400 2.666 2.112 3.015 . 0 0 "[ . 1 . 2]" 1
876 1 42 TYR QB 1 43 PHE H . . 4.080 3.138 2.794 3.409 . 0 0 "[ . 1 . 2]" 1
877 1 41 GLN HA 1 42 TYR QD . . 4.400 3.633 3.155 4.037 . 0 0 "[ . 1 . 2]" 1
878 1 41 GLN HA 1 41 GLN HG2 . . 4.100 2.960 2.069 3.710 . 0 0 "[ . 1 . 2]" 1
879 1 41 GLN HA 1 41 GLN HG3 . . 4.100 2.381 2.043 3.258 . 0 0 "[ . 1 . 2]" 1
880 1 41 GLN HG3 1 43 PHE HZ . . 5.500 4.614 4.060 5.098 . 0 0 "[ . 1 . 2]" 1
881 1 41 GLN HG2 1 43 PHE HZ . . 5.500 3.470 2.417 5.033 . 0 0 "[ . 1 . 2]" 1
882 1 41 GLN QB 1 50 ARG QD . . 4.600 3.701 2.779 4.528 . 0 0 "[ . 1 . 2]" 1
883 1 40 PHE HB2 1 41 GLN HA . . 5.500 4.720 4.592 4.816 . 0 0 "[ . 1 . 2]" 1
884 1 40 PHE HB2 1 42 TYR QD . . 5.100 4.021 3.701 4.323 . 0 0 "[ . 1 . 2]" 1
885 1 40 PHE HB2 1 41 GLN H . . 4.550 4.100 3.922 4.236 . 0 0 "[ . 1 . 2]" 1
886 1 40 PHE HB2 1 42 TYR HH . . 4.700 4.292 3.799 4.644 . 0 0 "[ . 1 . 2]" 1
887 1 40 PHE HB3 1 42 TYR QE . . 3.870 2.637 2.106 3.134 . 0 0 "[ . 1 . 2]" 1
888 1 40 PHE HB3 1 42 TYR QD . . 5.100 3.724 3.253 4.127 . 0 0 "[ . 1 . 2]" 1
889 1 40 PHE H 1 40 PHE HB3 . . 4.140 3.740 3.706 3.780 . 0 0 "[ . 1 . 2]" 1
890 1 40 PHE HB3 1 41 GLN H . . 4.550 3.187 2.938 3.393 . 0 0 "[ . 1 . 2]" 1
891 1 40 PHE HB3 1 42 TYR HH . . 4.700 3.580 3.146 4.038 . 0 0 "[ . 1 . 2]" 1
892 1 40 PHE HB3 1 41 GLN HA . . 5.500 4.610 4.526 4.735 . 0 0 "[ . 1 . 2]" 1
893 1 39 THR HB 1 40 PHE QD . . 5.140 4.800 4.582 5.058 . 0 0 "[ . 1 . 2]" 1
894 1 32 ARG HG2 1 38 THR HB . . 4.590 4.512 4.372 4.592 0.002 15 0 "[ . 1 . 2]" 1
895 1 38 THR HB 1 39 THR MG . . 5.500 5.098 4.864 5.500 . 0 0 "[ . 1 . 2]" 1
896 1 38 THR HB 1 40 PHE HZ . . 4.150 3.399 3.163 3.657 . 0 0 "[ . 1 . 2]" 1
897 1 38 THR HB 1 52 ASN H . . 5.440 4.899 4.570 5.245 . 0 0 "[ . 1 . 2]" 1
898 1 38 THR MG 1 39 THR MG . . 5.450 4.901 4.644 5.273 . 0 0 "[ . 1 . 2]" 1
899 1 38 THR MG 1 59 ALA MB . . 5.500 5.166 4.907 5.381 . 0 0 "[ . 1 . 2]" 1
900 1 38 THR MG 1 53 PHE HB3 . . 4.760 2.933 2.768 3.113 . 0 0 "[ . 1 . 2]" 1
901 1 38 THR MG 1 40 PHE QE . . 4.300 4.231 4.058 4.298 . 0 0 "[ . 1 . 2]" 1
902 1 38 THR MG 1 53 PHE H . . 5.310 3.937 3.717 4.191 . 0 0 "[ . 1 . 2]" 1
903 1 37 ASP HB2 1 54 SER HB3 . . 4.310 3.721 2.447 4.310 0.000 13 0 "[ . 1 . 2]" 1
904 1 37 ASP H 1 37 ASP HB2 . . 3.940 2.275 2.151 2.467 . 0 0 "[ . 1 . 2]" 1
905 1 37 ASP HB3 1 54 SER HB3 . . 4.310 3.536 2.364 4.310 . 0 0 "[ . 1 . 2]" 1
906 1 32 ARG HD3 1 36 LYS HA . . 3.860 2.292 2.008 2.560 . 0 0 "[ . 1 . 2]" 1
907 1 36 LYS HA 1 38 THR H . . 4.960 3.530 3.426 3.670 . 0 0 "[ . 1 . 2]" 1
908 1 35 ASP HA 1 36 LYS HG2 . . 4.580 4.291 3.818 4.573 . 0 0 "[ . 1 . 2]" 1
909 1 35 ASP HA 1 36 LYS HG3 . . 4.580 4.386 3.993 4.583 0.003 16 0 "[ . 1 . 2]" 1
910 1 36 LYS HG2 1 37 ASP H . . 5.020 4.511 3.689 4.865 . 0 0 "[ . 1 . 2]" 1
911 1 36 LYS HG3 1 37 ASP H . . 5.020 4.065 2.237 4.903 . 0 0 "[ . 1 . 2]" 1
912 1 36 LYS H 1 36 LYS HG3 . . 4.680 2.804 2.222 3.220 . 0 0 "[ . 1 . 2]" 1
913 1 26 LYS QE 1 72 LEU MD1 . . 4.780 4.149 3.766 4.684 . 0 0 "[ . 1 . 2]" 1
914 1 26 LYS QE 1 72 LEU MD2 . . 4.780 4.149 3.483 4.686 . 0 0 "[ . 1 . 2]" 1
915 1 35 ASP QB 1 38 THR H . . 3.940 3.175 2.756 3.606 . 0 0 "[ . 1 . 2]" 1
916 1 35 ASP QB 1 58 SER HB3 . . 3.630 3.539 3.314 3.632 0.002 20 0 "[ . 1 . 2]" 1
917 1 34 TYR HB3 1 62 ALA MB . . 4.940 4.671 4.366 4.884 . 0 0 "[ . 1 . 2]" 1
918 1 34 TYR HB3 1 35 ASP HA . . 4.780 4.729 4.620 4.782 0.002 2 0 "[ . 1 . 2]" 1
919 1 32 ARG HA 1 33 THR HA . . 5.100 4.936 4.883 4.959 . 0 0 "[ . 1 . 2]" 1
920 1 32 ARG HA 1 38 THR MG . . 4.710 3.811 3.427 4.009 . 0 0 "[ . 1 . 2]" 1
921 1 32 ARG HA 1 38 THR HB . . 5.370 4.042 3.736 4.271 . 0 0 "[ . 1 . 2]" 1
922 1 32 ARG HA 1 38 THR H . . 4.600 4.381 4.106 4.518 . 0 0 "[ . 1 . 2]" 1
923 1 32 ARG HG2 1 40 PHE QE . . 4.600 2.882 2.288 3.424 . 0 0 "[ . 1 . 2]" 1
924 1 32 ARG HG2 1 38 THR H . . 5.130 4.112 3.806 4.594 . 0 0 "[ . 1 . 2]" 1
925 1 32 ARG HG2 1 40 PHE HZ . . 4.540 3.494 3.006 3.832 . 0 0 "[ . 1 . 2]" 1
926 1 32 ARG HG2 1 33 THR H . . 5.110 4.902 4.807 5.067 . 0 0 "[ . 1 . 2]" 1
927 1 32 ARG H 1 32 ARG HG2 . . 4.100 3.900 3.805 4.056 . 0 0 "[ . 1 . 2]" 1
928 1 32 ARG HA 1 32 ARG HD2 . . 4.110 3.802 3.536 4.021 . 0 0 "[ . 1 . 2]" 1
929 1 32 ARG HA 1 32 ARG HD3 . . 3.930 2.910 2.526 3.398 . 0 0 "[ . 1 . 2]" 1
930 1 32 ARG HD2 1 36 LYS HA . . 4.280 3.886 3.550 4.271 . 0 0 "[ . 1 . 2]" 1
931 1 29 SER HA 1 32 ARG HD2 . . 4.790 4.459 4.007 4.774 . 0 0 "[ . 1 . 2]" 1
932 1 32 ARG HD3 1 38 THR H . . 5.240 4.793 4.219 5.154 . 0 0 "[ . 1 . 2]" 1
933 1 32 ARG HD2 1 33 THR H . . 4.460 4.361 4.197 4.459 . 0 0 "[ . 1 . 2]" 1
934 1 32 ARG HD3 1 33 THR H . . 4.770 4.646 4.428 4.770 . 0 0 "[ . 1 . 2]" 1
935 1 74 LYS HA 1 74 LYS QD . . 3.490 2.587 2.000 3.461 . 0 0 "[ . 1 . 2]" 1
936 1 32 ARG HG3 1 40 PHE QE . . 4.160 3.622 3.376 3.958 . 0 0 "[ . 1 . 2]" 1
937 1 32 ARG HG3 1 40 PHE HZ . . 4.560 4.146 3.967 4.391 . 0 0 "[ . 1 . 2]" 1
938 1 28 GLU HB2 1 30 LEU H . . 5.500 5.008 4.798 5.308 . 0 0 "[ . 1 . 2]" 1
939 1 32 ARG HG3 1 33 THR H . . 5.500 5.065 4.919 5.267 . 0 0 "[ . 1 . 2]" 1
940 1 31 PHE HA 1 66 LEU MD1 . . 4.370 3.475 3.291 3.705 . 0 0 "[ . 1 . 2]" 1
941 1 31 PHE HB3 1 51 ILE MG . . 4.500 2.568 2.306 3.015 . 0 0 "[ . 1 . 2]" 1
942 1 31 PHE HB2 1 40 PHE QE . . 4.300 2.119 1.998 2.510 . 0 0 "[ . 1 . 2]" 1
943 1 31 PHE HB3 1 40 PHE QE . . 4.300 3.534 3.237 4.022 . 0 0 "[ . 1 . 2]" 1
944 1 30 LEU HA 1 66 LEU MD1 . . 4.900 4.738 4.354 4.904 0.004 14 0 "[ . 1 . 2]" 1
945 1 30 LEU HB3 1 31 PHE H . . 3.970 3.336 2.890 3.804 . 0 0 "[ . 1 . 2]" 1
946 1 30 LEU HB2 1 31 PHE H . . 3.970 2.449 2.169 2.943 . 0 0 "[ . 1 . 2]" 1
947 1 30 LEU HB2 1 66 LEU MD1 . . 4.060 3.433 3.101 3.716 . 0 0 "[ . 1 . 2]" 1
948 1 30 LEU HG 1 66 LEU MD1 . . 5.320 5.183 5.002 5.320 . 16 0 "[ . 1 . 2]" 1
949 1 30 LEU HA 1 30 LEU HG . . 4.190 2.943 2.773 3.288 . 0 0 "[ . 1 . 2]" 1
950 1 30 LEU HG 1 31 PHE H . . 4.740 4.424 4.048 4.678 . 0 0 "[ . 1 . 2]" 1
951 1 30 LEU MD1 1 66 LEU MD1 . . 4.330 3.348 3.164 3.550 . 0 0 "[ . 1 . 2]" 1
952 1 30 LEU MD1 1 71 PHE QB . . 4.380 3.499 2.837 3.874 . 0 0 "[ . 1 . 2]" 1
953 1 30 LEU MD1 1 31 PHE QE . . 4.650 3.163 2.722 3.676 . 0 0 "[ . 1 . 2]" 1
954 1 27 PHE QD 1 30 LEU MD1 . . 4.360 3.567 3.013 3.970 . 0 0 "[ . 1 . 2]" 1
955 1 30 LEU MD1 1 31 PHE H . . 4.710 4.280 3.893 4.667 . 0 0 "[ . 1 . 2]" 1
956 1 30 LEU MD1 1 71 PHE HZ . . 4.950 4.097 3.875 4.504 . 0 0 "[ . 1 . 2]" 1
957 1 29 SER HA 1 32 ARG HB3 . . 3.410 2.642 2.178 2.805 . 0 0 "[ . 1 . 2]" 1
958 1 28 GLU HA 1 28 GLU HG3 . . 3.850 2.673 2.407 2.900 . 0 0 "[ . 1 . 2]" 1
959 1 28 GLU HA 1 30 LEU H . . 4.360 4.038 3.780 4.362 0.002 15 0 "[ . 1 . 2]" 1
960 1 27 PHE QD 1 28 GLU HA . . 4.090 2.625 2.349 2.795 . 0 0 "[ . 1 . 2]" 1
961 1 28 GLU HA 1 42 TYR HH . . 5.060 3.831 3.548 4.304 . 0 0 "[ . 1 . 2]" 1
962 1 25 ALA HA 1 28 GLU HB3 . . 4.640 3.667 3.374 4.059 . 0 0 "[ . 1 . 2]" 1
963 1 28 GLU HB3 1 29 SER HA . . 5.050 3.782 3.696 3.887 . 0 0 "[ . 1 . 2]" 1
964 1 28 GLU HB3 1 40 PHE QE . . 4.300 4.134 3.847 4.297 . 0 0 "[ . 1 . 2]" 1
965 1 28 GLU HB3 1 40 PHE HZ . . 4.670 4.200 3.900 4.392 . 0 0 "[ . 1 . 2]" 1
966 1 28 GLU HB2 1 42 TYR HH . . 5.340 4.020 3.348 4.485 . 0 0 "[ . 1 . 2]" 1
967 1 27 PHE QD 1 28 GLU HG3 . . 4.170 2.892 2.556 3.199 . 0 0 "[ . 1 . 2]" 1
968 1 28 GLU HG3 1 40 PHE QE . . 4.360 4.000 3.483 4.361 0.001 13 0 "[ . 1 . 2]" 1
969 1 28 GLU HG2 1 42 TYR QE . . 5.280 4.163 3.553 4.631 . 0 0 "[ . 1 . 2]" 1
970 1 27 PHE QD 1 28 GLU HG2 . . 4.440 3.823 3.425 4.171 . 0 0 "[ . 1 . 2]" 1
971 1 28 GLU HG2 1 40 PHE QD . . 5.170 3.000 2.663 3.220 . 0 0 "[ . 1 . 2]" 1
972 1 27 PHE HA 1 30 LEU HG . . 3.890 3.129 2.174 3.675 . 0 0 "[ . 1 . 2]" 1
973 1 27 PHE HA 1 30 LEU HB2 . . 5.230 3.504 3.111 3.756 . 0 0 "[ . 1 . 2]" 1
974 1 27 PHE HA 1 30 LEU HB3 . . 5.230 4.799 4.471 5.014 . 0 0 "[ . 1 . 2]" 1
975 1 27 PHE HB2 1 71 PHE QE . . 4.440 3.215 2.788 3.357 . 0 0 "[ . 1 . 2]" 1
976 1 27 PHE HB3 1 28 GLU H . . 4.290 2.761 2.312 3.177 . 0 0 "[ . 1 . 2]" 1
977 1 26 LYS HA 1 30 LEU H . . 5.500 4.639 4.399 4.899 . 0 0 "[ . 1 . 2]" 1
978 1 26 LYS HA 1 71 PHE QE . . 5.500 4.509 3.787 4.778 . 0 0 "[ . 1 . 2]" 1
979 1 26 LYS HB2 1 72 LEU MD2 . . 5.500 3.997 2.473 4.791 . 0 0 "[ . 1 . 2]" 1
980 1 26 LYS HB3 1 72 LEU MD1 . . 5.500 3.081 2.469 4.905 . 0 0 "[ . 1 . 2]" 1
981 1 23 THR MG 1 26 LYS HB3 . . 4.900 4.493 3.995 4.902 0.002 7 0 "[ . 1 . 2]" 1
982 1 23 THR MG 1 26 LYS HB2 . . 4.900 3.222 2.795 3.634 . 0 0 "[ . 1 . 2]" 1
983 1 26 LYS HB3 1 71 PHE QE . . 3.960 2.999 2.000 3.343 . 0 0 "[ . 1 . 2]" 1
984 1 26 LYS HB2 1 71 PHE QE . . 3.960 3.495 2.975 3.756 . 0 0 "[ . 1 . 2]" 1
985 1 26 LYS H 1 26 LYS HB2 . . 3.780 2.525 2.397 2.669 . 0 0 "[ . 1 . 2]" 1
986 1 26 LYS H 1 26 LYS HB3 . . 3.780 3.595 3.576 3.622 . 0 0 "[ . 1 . 2]" 1
987 1 26 LYS HB3 1 27 PHE H . . 4.080 3.676 3.327 3.916 . 0 0 "[ . 1 . 2]" 1
988 1 26 LYS H 1 26 LYS HG3 . . 4.460 2.247 2.030 2.526 . 0 0 "[ . 1 . 2]" 1
989 1 26 LYS H 1 26 LYS HG2 . . 3.810 3.635 3.308 3.812 0.002 7 0 "[ . 1 . 2]" 1
990 1 26 LYS HG2 1 71 PHE HZ . . 5.500 5.445 5.157 5.508 0.008 17 0 "[ . 1 . 2]" 1
991 1 26 LYS HG2 1 72 LEU MD1 . . 5.500 3.977 3.100 5.502 0.002 20 0 "[ . 1 . 2]" 1
992 1 26 LYS HG2 1 72 LEU MD2 . . 5.500 4.170 3.522 5.044 . 0 0 "[ . 1 . 2]" 1
993 1 26 LYS HD2 1 72 LEU MD1 . . 4.270 3.004 2.075 4.021 . 0 0 "[ . 1 . 2]" 1
994 1 18 PHE HB2 1 44 LYS QD . . 4.460 4.141 3.357 4.443 . 0 0 "[ . 1 . 2]" 1
995 1 23 THR HA 1 26 LYS HD3 . . 4.110 3.431 2.213 3.930 . 0 0 "[ . 1 . 2]" 1
996 1 18 PHE QD 1 44 LYS QD . . 5.050 4.087 3.206 4.785 . 0 0 "[ . 1 . 2]" 1
997 1 26 LYS HD3 1 71 PHE QE . . 5.500 5.179 4.558 5.436 . 0 0 "[ . 1 . 2]" 1
998 1 26 LYS HD3 1 71 PHE HZ . . 5.240 4.960 4.573 5.233 . 0 0 "[ . 1 . 2]" 1
999 1 26 LYS HD2 1 71 PHE HZ . . 5.230 4.124 3.812 4.682 . 0 0 "[ . 1 . 2]" 1
1000 1 26 LYS H 1 26 LYS HD2 . . 5.040 3.408 2.170 3.960 . 0 0 "[ . 1 . 2]" 1
1001 1 25 ALA HA 1 28 GLU HG3 . . 4.900 4.302 3.630 4.829 . 0 0 "[ . 1 . 2]" 1
1002 1 25 ALA HA 1 29 SER H . . 4.650 3.533 3.134 3.907 . 0 0 "[ . 1 . 2]" 1
1003 1 24 ARG HB3 1 25 ALA MB . . 4.390 3.983 3.870 4.125 . 0 0 "[ . 1 . 2]" 1
1004 1 25 ALA MB 1 26 LYS HG2 . . 4.920 4.672 4.290 4.917 . 0 0 "[ . 1 . 2]" 1
1005 1 22 GLU HG3 1 25 ALA MB . . 5.280 3.627 2.595 4.996 . 0 0 "[ . 1 . 2]" 1
1006 1 25 ALA MB 1 27 PHE H . . 5.250 4.391 4.222 4.628 . 0 0 "[ . 1 . 2]" 1
1007 1 25 ALA MB 1 28 GLU H . . 5.010 4.407 4.168 4.882 . 0 0 "[ . 1 . 2]" 1
1008 1 17 VAL MG2 1 24 ARG HA . . 4.070 3.764 3.265 4.059 . 0 0 "[ . 1 . 2]" 1
1009 1 23 THR MG 1 24 ARG HA . . 5.160 3.880 3.476 4.186 . 0 0 "[ . 1 . 2]" 1
1010 1 24 ARG HA 1 24 ARG HG3 . . 4.090 2.741 2.427 3.203 . 0 0 "[ . 1 . 2]" 1
1011 1 24 ARG HA 1 27 PHE QD . . 4.800 4.668 4.370 4.801 0.001 20 0 "[ . 1 . 2]" 1
1012 1 24 ARG HA 1 27 PHE H . . 4.380 3.512 3.269 3.716 . 0 0 "[ . 1 . 2]" 1
1013 1 22 GLU HB2 1 23 THR H . . 4.500 3.363 2.786 3.842 . 0 0 "[ . 1 . 2]" 1
1014 1 24 ARG H 1 24 ARG HB2 . . 4.050 2.583 2.375 2.721 . 0 0 "[ . 1 . 2]" 1
1015 1 24 ARG HB3 1 25 ALA H . . 4.430 2.403 2.197 2.655 . 0 0 "[ . 1 . 2]" 1
1016 1 23 THR HA 1 26 LYS HG2 . . 4.560 4.464 4.372 4.558 . 0 0 "[ . 1 . 2]" 1
1017 1 23 THR HB 1 24 ARG H . . 4.060 2.627 2.241 2.868 . 0 0 "[ . 1 . 2]" 1
1018 1 23 THR MG 1 24 ARG H . . 4.610 3.687 3.417 3.951 . 0 0 "[ . 1 . 2]" 1
1019 1 23 THR MG 1 27 PHE H . . 5.160 4.356 4.089 4.555 . 0 0 "[ . 1 . 2]" 1
1020 1 22 GLU HA 1 22 GLU HG3 . . 3.750 2.380 2.020 3.602 . 0 0 "[ . 1 . 2]" 1
1021 1 22 GLU HA 1 22 GLU HG2 . . 3.750 3.029 2.113 3.714 . 0 0 "[ . 1 . 2]" 1
1022 1 22 GLU HA 1 25 ALA H . . 4.680 3.399 3.244 3.607 . 0 0 "[ . 1 . 2]" 1
1023 1 22 GLU HB3 1 23 THR H . . 4.500 2.756 2.419 3.172 . 0 0 "[ . 1 . 2]" 1
1024 1 17 VAL HA 1 24 ARG HB3 . . 5.230 5.114 4.818 5.219 . 0 0 "[ . 1 . 2]" 1
1025 1 17 VAL HA 1 24 ARG HB2 . . 4.250 3.885 3.705 4.064 . 0 0 "[ . 1 . 2]" 1
1026 1 17 VAL HA 1 24 ARG H . . 4.900 3.615 3.420 3.881 . 0 0 "[ . 1 . 2]" 1
1027 1 17 VAL HB 1 23 THR MG . . 5.500 4.174 3.914 4.458 . 0 0 "[ . 1 . 2]" 1
1028 1 14 ASN QB 1 17 VAL HB . . 4.340 3.431 2.958 3.791 . 0 0 "[ . 1 . 2]" 1
1029 1 17 VAL HB 1 18 PHE HA . . 5.500 4.575 4.408 4.688 . 0 0 "[ . 1 . 2]" 1
1030 1 17 VAL HB 1 24 ARG HA . . 5.500 4.995 4.687 5.257 . 0 0 "[ . 1 . 2]" 1
1031 1 17 VAL HB 1 42 TYR QE . . 5.130 4.417 3.922 4.961 . 0 0 "[ . 1 . 2]" 1
1032 1 17 VAL HB 1 18 PHE H . . 4.240 3.120 2.860 3.257 . 0 0 "[ . 1 . 2]" 1
1033 1 12 VAL HB 1 17 VAL MG1 . . 4.630 3.593 3.461 3.785 . 0 0 "[ . 1 . 2]" 1
1034 1 14 ASN QB 1 17 VAL MG1 . . 4.410 4.276 4.000 4.391 . 0 0 "[ . 1 . 2]" 1
1035 1 17 VAL MG1 1 27 PHE HB3 . . 4.340 2.631 2.350 2.892 . 0 0 "[ . 1 . 2]" 1
1036 1 17 VAL MG1 1 24 ARG HA . . 4.080 2.355 2.113 2.753 . 0 0 "[ . 1 . 2]" 1
1037 1 17 VAL MG1 1 27 PHE HB2 . . 4.340 2.642 2.173 2.858 . 0 0 "[ . 1 . 2]" 1
1038 1 12 VAL HA 1 17 VAL MG1 . . 5.500 5.432 5.299 5.499 . 0 0 "[ . 1 . 2]" 1
1039 1 17 VAL MG1 1 27 PHE QD . . 3.920 2.964 2.644 3.238 . 0 0 "[ . 1 . 2]" 1
1040 1 17 VAL MG1 1 42 TYR QD . . 3.800 3.410 3.056 3.651 . 0 0 "[ . 1 . 2]" 1
1041 1 17 VAL MG1 1 18 PHE H . . 4.180 3.628 3.482 3.853 . 0 0 "[ . 1 . 2]" 1
1042 1 17 VAL H 1 17 VAL MG1 . . 3.930 3.745 3.699 3.776 . 0 0 "[ . 1 . 2]" 1
1043 1 17 VAL MG1 1 27 PHE H . . 5.500 4.071 3.785 4.274 . 0 0 "[ . 1 . 2]" 1
1044 1 17 VAL MG1 1 42 TYR HH . . 5.500 4.230 3.856 4.483 . 0 0 "[ . 1 . 2]" 1
1045 1 17 VAL MG2 1 27 PHE HB2 . . 4.240 2.987 2.699 3.389 . 0 0 "[ . 1 . 2]" 1
1046 1 12 VAL HA 1 17 VAL MG2 . . 5.200 5.012 4.804 5.155 . 0 0 "[ . 1 . 2]" 1
1047 1 17 VAL MG2 1 42 TYR QE . . 5.010 4.647 4.457 4.887 . 0 0 "[ . 1 . 2]" 1
1048 1 17 VAL MG2 1 27 PHE QD . . 4.440 3.433 3.163 3.779 . 0 0 "[ . 1 . 2]" 1
1049 1 14 ASN QB 1 23 THR MG . . 4.350 3.437 3.167 3.688 . 0 0 "[ . 1 . 2]" 1
1050 1 14 ASN QB 1 17 VAL H . . 4.090 2.604 2.381 2.851 . 0 0 "[ . 1 . 2]" 1
1051 1 12 VAL HB 1 17 VAL MG2 . . 5.500 3.624 3.064 3.946 . 0 0 "[ . 1 . 2]" 1
1052 1 12 VAL HB 1 18 PHE HZ . . 4.700 3.588 2.747 4.394 . 0 0 "[ . 1 . 2]" 1
1053 1 12 VAL MG1 1 76 MET HB3 . . 4.320 4.068 3.678 4.323 0.003 17 0 "[ . 1 . 2]" 1
1054 1 12 VAL MG1 1 76 MET HB2 . . 4.320 2.658 2.305 3.019 . 0 0 "[ . 1 . 2]" 1
1055 1 12 VAL MG1 1 27 PHE QD . . 4.290 2.945 2.389 3.283 . 0 0 "[ . 1 . 2]" 1
1056 1 12 VAL MG1 1 13 ALA H . . 4.170 2.329 1.983 2.999 . 0 0 "[ . 1 . 2]" 1
1057 1 12 VAL MG2 1 18 PHE HZ . . 4.010 3.241 2.519 3.633 . 0 0 "[ . 1 . 2]" 1
1058 1 12 VAL MG1 1 71 PHE QB . . 4.190 3.832 3.588 4.127 . 0 0 "[ . 1 . 2]" 1
1059 1 11 CYS HA 1 12 VAL MG2 . . 4.340 3.358 3.302 3.422 . 0 0 "[ . 1 . 2]" 1
1060 1 12 VAL MG2 1 49 VAL H . . 4.990 4.331 3.927 4.688 . 0 0 "[ . 1 . 2]" 1
1061 1 11 CYS HB2 1 77 LYS HB2 . . 3.740 3.331 2.202 3.741 0.001 19 0 "[ . 1 . 2]" 1
1062 1 9 ILE MG 1 10 ALA HA . . 4.500 4.143 3.962 4.279 . 0 0 "[ . 1 . 2]" 1
1063 1 10 ALA HA 1 78 LEU HG . . 4.440 2.487 2.168 3.351 . 0 0 "[ . 1 . 2]" 1
1064 1 9 ILE HA 1 10 ALA MB . . 4.340 4.059 4.007 4.094 . 0 0 "[ . 1 . 2]" 1
1065 1 10 ALA MB 1 78 LEU HA . . 4.200 3.553 3.291 3.884 . 0 0 "[ . 1 . 2]" 1
1066 1 10 ALA MB 1 49 VAL H . . 4.100 3.942 3.490 4.100 . 0 0 "[ . 1 . 2]" 1
1067 1 9 ILE HB 1 79 TYR HB2 . . 4.010 2.158 1.999 2.378 . 0 0 "[ . 1 . 2]" 1
1068 1 9 ILE HB 1 10 ALA H . . 5.040 4.396 4.344 4.455 . 0 0 "[ . 1 . 2]" 1
1069 1 9 ILE HG13 1 81 ALA HA . . 4.120 3.114 2.268 3.933 . 0 0 "[ . 1 . 2]" 1
1070 1 9 ILE H 1 9 ILE HG12 . . 4.310 2.425 2.218 2.605 . 0 0 "[ . 1 . 2]" 1
1071 1 8 LEU HA 1 9 ILE HG12 . . 4.860 3.542 3.286 3.768 . 0 0 "[ . 1 . 2]" 1
1072 1 9 ILE HG12 1 81 ALA HA . . 4.100 2.786 2.196 3.424 . 0 0 "[ . 1 . 2]" 1
1073 1 9 ILE MG 1 79 TYR HB2 . . 4.650 3.380 3.152 3.638 . 0 0 "[ . 1 . 2]" 1
1074 1 9 ILE MG 1 50 ARG HA . . 4.860 3.760 3.495 4.109 . 0 0 "[ . 1 . 2]" 1
1075 1 9 ILE MG 1 48 ARG HA . . 5.500 4.098 3.642 4.522 . 0 0 "[ . 1 . 2]" 1
1076 1 9 ILE MG 1 79 TYR QE . . 5.500 4.950 3.517 5.404 . 0 0 "[ . 1 . 2]" 1
1077 1 9 ILE MG 1 79 TYR H . . 5.050 3.938 3.563 4.162 . 0 0 "[ . 1 . 2]" 1
1078 1 9 ILE MG 1 49 VAL H . . 4.300 3.115 2.758 3.370 . 0 0 "[ . 1 . 2]" 1
1079 1 9 ILE MD 1 50 ARG HB2 . . 4.280 2.814 2.114 3.823 . 0 0 "[ . 1 . 2]" 1
1080 1 9 ILE MD 1 81 ALA H . . 5.500 4.527 4.143 4.890 . 0 0 "[ . 1 . 2]" 1
1081 1 9 ILE MD 1 49 VAL H . . 4.880 4.495 4.108 4.838 . 0 0 "[ . 1 . 2]" 1
1082 1 9 ILE MD 1 51 ILE H . . 4.670 3.933 3.613 4.350 . 0 0 "[ . 1 . 2]" 1
1083 1 9 ILE H 1 9 ILE MD . . 4.540 3.609 3.196 3.821 . 0 0 "[ . 1 . 2]" 1
1084 1 9 ILE MD 1 10 ALA H . . 4.570 4.019 3.818 4.215 . 0 0 "[ . 1 . 2]" 1
1085 1 8 LEU HA 1 8 LEU MD1 . . 4.360 3.839 3.805 3.913 . 0 0 "[ . 1 . 2]" 1
1086 1 8 LEU HB3 1 51 ILE MD . . 4.770 3.483 3.002 3.864 . 0 0 "[ . 1 . 2]" 1
1087 1 8 LEU HB3 1 53 PHE QE . . 4.440 3.682 3.562 4.285 . 0 0 "[ . 1 . 2]" 1
1088 1 8 LEU HB3 1 79 TYR H . . 5.370 4.415 3.832 4.809 . 0 0 "[ . 1 . 2]" 1
1089 1 8 LEU MD1 1 63 ARG HA . . 5.070 3.990 3.644 4.348 . 0 0 "[ . 1 . 2]" 1
1090 1 8 LEU MD2 1 63 ARG HA . . 5.070 4.572 4.367 4.978 . 0 0 "[ . 1 . 2]" 1
1091 1 8 LEU MD2 1 53 PHE QE . . 4.680 4.372 3.922 4.615 . 0 0 "[ . 1 . 2]" 1
1092 1 7 GLY HA2 1 81 ALA MB . . 4.280 3.742 3.413 4.248 . 0 0 "[ . 1 . 2]" 1
1093 1 7 GLY HA3 1 52 ASN HA . . 4.100 3.351 3.166 3.646 . 0 0 "[ . 1 . 2]" 1
1094 1 6 SER HB3 1 59 ALA MB . . 4.330 3.445 2.379 4.282 . 0 0 "[ . 1 . 2]" 1
1095 1 6 SER HB3 1 56 PRO HB3 . . 5.030 3.624 2.932 5.031 0.001 3 0 "[ . 1 . 2]" 1
1096 1 6 SER HB3 1 55 ASN HA . . 4.660 4.052 3.537 4.604 . 0 0 "[ . 1 . 2]" 1
1097 1 9 ILE MG 1 79 TYR QD . . 4.040 3.482 2.222 3.939 . 0 0 "[ . 1 . 2]" 1
1098 1 9 ILE HB 1 79 TYR QD . . 4.720 3.517 2.611 4.077 . 0 0 "[ . 1 . 2]" 1
1099 1 79 TYR HA 1 79 TYR QD . . 3.970 2.958 2.260 3.141 . 0 0 "[ . 1 . 2]" 1
1100 1 78 LEU HA 1 79 TYR QD . . 4.700 3.481 2.989 4.473 . 0 0 "[ . 1 . 2]" 1
1101 1 79 TYR H 1 79 TYR QD . . 4.000 2.947 2.606 3.629 . 0 0 "[ . 1 . 2]" 1
1102 1 79 TYR QD 1 80 PHE H . . 4.520 3.933 3.232 4.292 . 0 0 "[ . 1 . 2]" 1
1103 1 42 TYR QD 1 49 VAL MG1 . . 3.930 3.194 2.538 3.556 . 0 0 "[ . 1 . 2]" 1
1104 1 18 PHE HA 1 42 TYR QD . . 4.930 3.345 2.575 4.277 . 0 0 "[ . 1 . 2]" 1
1105 1 18 PHE QE 1 42 TYR QD . . 3.820 3.393 2.805 3.771 . 0 0 "[ . 1 . 2]" 1
1106 1 42 TYR QD 1 43 PHE H . . 4.430 4.164 3.840 4.424 . 0 0 "[ . 1 . 2]" 1
1107 1 42 TYR QE 1 49 VAL MG2 . . 3.940 2.895 2.264 3.556 . 0 0 "[ . 1 . 2]" 1
1108 1 40 PHE HB2 1 42 TYR QE . . 3.870 2.944 2.406 3.344 . 0 0 "[ . 1 . 2]" 1
1109 1 40 PHE QD 1 42 TYR QE . . 4.400 3.778 3.089 4.172 . 0 0 "[ . 1 . 2]" 1
1110 1 27 PHE QE 1 42 TYR QE . . 4.490 3.920 3.423 4.152 . 0 0 "[ . 1 . 2]" 1
1111 1 41 GLN H 1 42 TYR QE . . 5.500 4.990 4.312 5.418 . 0 0 "[ . 1 . 2]" 1
1112 1 42 TYR H 1 42 TYR QE . . 5.500 4.530 4.262 4.817 . 0 0 "[ . 1 . 2]" 1
1113 1 34 TYR QD 1 66 LEU MD1 . . 4.570 4.371 4.149 4.573 0.003 15 0 "[ . 1 . 2]" 1
1114 1 33 THR MG 1 34 TYR QD . . 4.340 2.827 2.184 3.413 . 0 0 "[ . 1 . 2]" 1
1115 1 34 TYR QD 1 61 ASP HB3 . . 4.510 4.362 4.010 4.513 0.003 10 0 "[ . 1 . 2]" 1
1116 1 33 THR HB 1 34 TYR QD . . 5.190 4.383 3.554 5.141 . 0 0 "[ . 1 . 2]" 1
1117 1 31 PHE HA 1 34 TYR QD . . 3.530 2.248 2.004 2.529 . 0 0 "[ . 1 . 2]" 1
1118 1 34 TYR QE 1 66 LEU MD1 . . 3.870 2.671 2.158 3.051 . 0 0 "[ . 1 . 2]" 1
1119 1 34 TYR QE 1 66 LEU MD2 . . 3.870 3.662 3.314 3.870 0.000 15 0 "[ . 1 . 2]" 1
1120 1 33 THR MG 1 34 TYR QE . . 3.990 3.100 2.340 3.727 . 0 0 "[ . 1 . 2]" 1
1121 1 34 TYR QE 1 62 ALA MB . . 4.350 2.560 2.149 2.984 . 0 0 "[ . 1 . 2]" 1
1122 1 34 TYR QE 1 65 ARG QB . . 4.230 3.362 3.185 3.611 . 0 0 "[ . 1 . 2]" 1
1123 1 34 TYR QE 1 61 ASP HB3 . . 4.740 4.332 3.615 4.661 . 0 0 "[ . 1 . 2]" 1
1124 1 34 TYR QE 1 65 ARG QD . . 4.030 2.267 1.985 2.953 . 0 0 "[ . 1 . 2]" 1
1125 1 34 TYR QE 1 62 ALA HA . . 4.290 2.410 2.069 2.817 . 0 0 "[ . 1 . 2]" 1
1126 1 33 THR HB 1 34 TYR QE . . 5.100 4.468 3.734 5.102 0.002 15 0 "[ . 1 . 2]" 1
1127 1 31 PHE HA 1 34 TYR QE . . 4.390 2.341 2.022 2.704 . 0 0 "[ . 1 . 2]" 1
1128 1 67 HIS HD2 1 68 LYS HD3 . . 5.500 3.927 2.771 5.501 0.001 1 0 "[ . 1 . 2]" 1
1129 1 67 HIS HB2 1 67 HIS HD2 . . 3.890 3.110 3.052 3.326 . 0 0 "[ . 1 . 2]" 1
1130 1 67 HIS HB3 1 67 HIS HD2 . . 3.780 2.995 2.823 3.049 . 0 0 "[ . 1 . 2]" 1
1131 1 67 HIS HD2 1 68 LYS H . . 5.280 3.601 3.164 3.729 . 0 0 "[ . 1 . 2]" 1
1132 1 27 PHE QD 1 71 PHE QD . . 4.940 4.330 3.683 4.583 . 0 0 "[ . 1 . 2]" 1
1133 1 27 PHE QD 1 71 PHE QE . . 5.150 3.897 3.371 4.188 . 0 0 "[ . 1 . 2]" 1
1134 1 27 PHE QD 1 42 TYR HH . . 5.390 2.441 2.064 3.133 . 0 0 "[ . 1 . 2]" 1
1135 1 27 PHE QE 1 31 PHE QE . . 3.820 2.921 2.743 3.086 . 0 0 "[ . 1 . 2]" 1
1136 1 40 PHE QE 1 51 ILE MD . . 3.950 3.788 3.383 3.948 . 0 0 "[ . 1 . 2]" 1
1137 1 28 GLU HG2 1 40 PHE QE . . 4.210 3.026 2.808 3.290 . 0 0 "[ . 1 . 2]" 1
1138 1 38 THR HB 1 40 PHE QE . . 3.920 2.968 2.751 3.201 . 0 0 "[ . 1 . 2]" 1
1139 1 31 PHE QD 1 40 PHE QE . . 3.590 2.085 1.995 2.358 . 0 0 "[ . 1 . 2]" 1
1140 1 40 PHE QD 1 51 ILE MG . . 4.440 3.273 2.641 3.671 . 0 0 "[ . 1 . 2]" 1
1141 1 40 PHE QD 1 51 ILE MD . . 3.870 3.582 3.217 3.804 . 0 0 "[ . 1 . 2]" 1
1142 1 40 PHE QD 1 51 ILE HG12 . . 3.760 2.445 2.086 2.771 . 0 0 "[ . 1 . 2]" 1
1143 1 40 PHE QD 1 51 ILE HA . . 4.420 4.232 3.884 4.412 . 0 0 "[ . 1 . 2]" 1
1144 1 39 THR HA 1 40 PHE QD . . 3.910 2.886 2.700 3.109 . 0 0 "[ . 1 . 2]" 1
1145 1 40 PHE HA 1 40 PHE QD . . 4.180 3.184 3.127 3.227 . 0 0 "[ . 1 . 2]" 1
1146 1 40 PHE QD 1 41 GLN H . . 5.100 4.443 4.223 4.593 . 0 0 "[ . 1 . 2]" 1
1147 1 40 PHE QD 1 42 TYR HH . . 5.110 3.383 2.739 4.045 . 0 0 "[ . 1 . 2]" 1
1148 1 53 PHE QD 1 59 ALA MB . . 3.570 3.254 2.831 3.519 . 0 0 "[ . 1 . 2]" 1
1149 1 8 LEU HB2 1 53 PHE QD . . 4.460 3.981 3.782 4.460 . 0 0 "[ . 1 . 2]" 1
1150 1 35 ASP QB 1 53 PHE QD . . 3.320 2.684 2.406 3.025 . 0 0 "[ . 1 . 2]" 1
1151 1 53 PHE QD 1 58 SER HB2 . . 3.930 3.543 3.152 3.800 . 0 0 "[ . 1 . 2]" 1
1152 1 7 GLY HA3 1 53 PHE QD . . 4.790 4.603 4.348 4.787 . 0 0 "[ . 1 . 2]" 1
1153 1 38 THR HA 1 53 PHE QD . . 5.180 4.750 4.571 5.047 . 0 0 "[ . 1 . 2]" 1
1154 1 53 PHE QD 1 58 SER HA . . 5.500 5.093 4.793 5.371 . 0 0 "[ . 1 . 2]" 1
1155 1 53 PHE HA 1 53 PHE QD . . 4.040 3.196 3.167 3.221 . 0 0 "[ . 1 . 2]" 1
1156 1 52 ASN HA 1 53 PHE QD . . 4.590 2.850 2.685 3.029 . 0 0 "[ . 1 . 2]" 1
1157 1 7 GLY HA2 1 53 PHE QD . . 4.790 2.892 2.614 3.121 . 0 0 "[ . 1 . 2]" 1
1158 1 26 LYS HB2 1 71 PHE HZ . . 3.920 2.850 2.452 3.078 . 0 0 "[ . 1 . 2]" 1
1159 1 8 LEU HB2 1 53 PHE QE . . 3.290 2.057 1.998 2.583 . 0 0 "[ . 1 . 2]" 1
1160 1 34 TYR HB2 1 53 PHE QE . . 3.710 3.461 3.062 3.691 . 0 0 "[ . 1 . 2]" 1
1161 1 27 PHE HB2 1 71 PHE HZ . . 4.220 2.660 2.383 2.904 . 0 0 "[ . 1 . 2]" 1
1162 1 71 PHE QD 1 72 LEU MD1 . . 5.120 3.524 2.803 4.935 . 0 0 "[ . 1 . 2]" 1
1163 1 71 PHE QD 1 72 LEU HG . . 5.360 4.494 3.162 5.349 . 0 0 "[ . 1 . 2]" 1
1164 1 12 VAL MG1 1 71 PHE QD . . 4.520 3.145 2.802 3.432 . 0 0 "[ . 1 . 2]" 1
1165 1 27 PHE HA 1 71 PHE QD . . 5.230 4.032 3.776 4.329 . 0 0 "[ . 1 . 2]" 1
1166 1 71 PHE HA 1 71 PHE QD . . 3.560 2.914 2.522 3.211 . 0 0 "[ . 1 . 2]" 1
1167 1 71 PHE H 1 71 PHE QD . . 4.820 4.054 3.898 4.136 . 0 0 "[ . 1 . 2]" 1
1168 1 71 PHE QD 1 72 LEU H . . 5.030 3.848 2.417 4.047 . 0 0 "[ . 1 . 2]" 1
1169 1 43 PHE QD 1 48 ARG QG . . 4.800 4.470 4.102 4.777 . 0 0 "[ . 1 . 2]" 1
1170 1 42 TYR HA 1 43 PHE QD . . 4.520 4.133 3.168 4.521 0.001 14 0 "[ . 1 . 2]" 1
1171 1 43 PHE QD 1 49 VAL HA . . 4.420 3.751 2.647 4.358 . 0 0 "[ . 1 . 2]" 1
1172 1 43 PHE HA 1 43 PHE QD . . 4.250 2.474 2.135 3.070 . 0 0 "[ . 1 . 2]" 1
1173 1 67 HIS HE1 1 77 LYS HG2 . . 4.440 2.772 2.116 4.155 . 0 0 "[ . 1 . 2]" 1
1174 1 77 LYS H 1 77 LYS HG2 . . 4.760 4.305 3.426 4.710 . 0 0 "[ . 1 . 2]" 1
1175 1 77 LYS HA 1 77 LYS HG3 . . 4.080 2.770 2.148 3.634 . 0 0 "[ . 1 . 2]" 1
1176 1 77 LYS H 1 77 LYS HG3 . . 4.760 3.691 3.138 4.256 . 0 0 "[ . 1 . 2]" 1
1177 1 67 HIS HE1 1 77 LYS HG3 . . 4.440 4.090 3.019 4.445 0.005 19 0 "[ . 1 . 2]" 1
1178 1 66 LEU HA 1 76 MET ME . . 4.470 3.572 3.331 3.927 . 0 0 "[ . 1 . 2]" 1
1179 1 31 PHE QE 1 76 MET ME . . 4.040 3.446 3.092 3.729 . 0 0 "[ . 1 . 2]" 1
1180 1 27 PHE QD 1 76 MET ME . . 4.230 3.528 3.041 4.013 . 0 0 "[ . 1 . 2]" 1
1181 1 71 PHE QD 1 76 MET ME . . 4.230 3.620 2.905 4.118 . 0 0 "[ . 1 . 2]" 1
1182 1 69 THR H 1 76 MET ME . . 5.500 5.147 4.859 5.506 0.006 17 0 "[ . 1 . 2]" 1
1183 1 66 LEU H 1 76 MET ME . . 5.480 5.226 4.971 5.416 . 0 0 "[ . 1 . 2]" 1
1184 1 67 HIS H 1 76 MET ME . . 5.440 2.351 1.935 2.639 . 0 0 "[ . 1 . 2]" 1
1185 1 71 PHE H 1 76 MET ME . . 5.130 4.694 4.314 5.101 . 0 0 "[ . 1 . 2]" 1
1186 1 76 MET H 1 76 MET ME . . 5.340 4.062 3.781 4.392 . 0 0 "[ . 1 . 2]" 1
1187 1 69 THR HG1 1 76 MET ME . . 5.330 3.356 2.956 3.677 . 0 0 "[ . 1 . 2]" 1
1188 1 6 SER HB2 1 59 ALA MB . . 4.330 3.261 2.082 4.149 . 0 0 "[ . 1 . 2]" 1
1189 1 6 SER HB2 1 56 PRO HB3 . . 5.030 4.380 3.147 5.026 . 0 0 "[ . 1 . 2]" 1
1190 1 6 SER HB2 1 55 ASN HA . . 4.660 4.248 3.428 4.659 . 0 0 "[ . 1 . 2]" 1
1191 1 6 SER HB2 1 53 PHE H . . 5.150 3.542 2.749 4.942 . 0 0 "[ . 1 . 2]" 1
1192 1 6 SER HB3 1 53 PHE H . . 5.150 4.344 3.159 5.102 . 0 0 "[ . 1 . 2]" 1
1193 1 6 SER HA 1 53 PHE HB2 . . 5.500 4.605 3.950 4.882 . 0 0 "[ . 1 . 2]" 1
1194 1 6 SER HA 1 56 PRO HB2 . . 5.500 5.020 4.445 5.329 . 0 0 "[ . 1 . 2]" 1
1195 1 11 CYS HB3 1 77 LYS HB2 . . 3.740 2.249 2.001 2.758 . 0 0 "[ . 1 . 2]" 1
1196 1 13 ALA MB 1 74 LYS HB2 . . 4.360 4.012 3.652 4.324 . 0 0 "[ . 1 . 2]" 1
1197 1 16 ASP HA 1 18 PHE QD . . 4.870 4.788 4.635 4.871 0.001 1 0 "[ . 1 . 2]" 1
1198 1 18 PHE HA 1 18 PHE QD . . 4.190 3.120 3.024 3.179 . 0 0 "[ . 1 . 2]" 1
1199 1 18 PHE HB3 1 44 LYS QD . . 4.460 3.421 2.547 4.101 . 0 0 "[ . 1 . 2]" 1
1200 1 12 VAL MG1 1 18 PHE QD . . 5.500 5.033 4.514 5.499 . 0 0 "[ . 1 . 2]" 1
1201 1 12 VAL MG2 1 18 PHE QD . . 5.500 4.785 4.162 4.985 . 0 0 "[ . 1 . 2]" 1
1202 1 15 ASP HA 1 18 PHE QD . . 3.960 2.275 2.070 2.572 . 0 0 "[ . 1 . 2]" 1
1203 1 18 PHE QD 1 42 TYR QD . . 4.050 3.087 2.513 3.870 . 0 0 "[ . 1 . 2]" 1
1204 1 18 PHE QD 1 43 PHE H . . 4.710 4.183 3.722 4.637 . 0 0 "[ . 1 . 2]" 1
1205 1 63 ARG HA 1 78 LEU HB2 . . 5.500 4.090 3.826 4.297 . 0 0 "[ . 1 . 2]" 1
1206 1 63 ARG HA 1 78 LEU HB3 . . 5.500 4.162 3.919 4.413 . 0 0 "[ . 1 . 2]" 1
1207 1 81 ALA MB 1 82 GLN HA . . 4.790 4.045 3.712 4.458 . 0 0 "[ . 1 . 2]" 1
1208 1 80 PHE HA 1 80 PHE QD . . 3.630 2.420 2.109 3.018 . 0 0 "[ . 1 . 2]" 1
1209 1 93 PRO HB3 1 94 PRO HD2 . . 4.240 2.875 2.690 3.088 . 0 0 "[ . 1 . 2]" 1
1210 1 17 VAL MG1 1 71 PHE HZ . . 4.100 3.921 3.612 4.100 . 0 0 "[ . 1 . 2]" 1
1211 1 68 LYS HA 1 77 LYS HA . . 5.070 4.135 3.902 4.384 . 0 0 "[ . 1 . 2]" 1
1212 1 58 SER HA 1 61 ASP HB3 . . 3.900 3.807 3.662 3.901 0.001 6 0 "[ . 1 . 2]" 1
1213 1 67 HIS HE1 1 77 LYS HB3 . . 3.790 3.438 3.094 3.606 . 0 0 "[ . 1 . 2]" 1
1214 1 67 HIS HE1 1 77 LYS HA . . 4.030 2.879 2.650 3.088 . 0 0 "[ . 1 . 2]" 1
1215 1 67 HIS HE1 1 79 TYR QD . . 5.500 4.852 4.574 5.085 . 0 0 "[ . 1 . 2]" 1
1216 1 67 HIS HE1 1 78 LEU H . . 4.220 1.918 1.896 2.010 . 0 0 "[ . 1 . 2]" 1
1217 1 14 ASN QB 1 71 PHE QD . . 4.590 3.678 3.238 4.370 . 0 0 "[ . 1 . 2]" 1
1218 1 12 VAL MG2 1 27 PHE HZ . . 4.350 3.743 3.429 4.324 . 0 0 "[ . 1 . 2]" 1
1219 1 51 ILE MG 1 53 PHE HZ . . 4.330 2.653 2.365 2.886 . 0 0 "[ . 1 . 2]" 1
1220 1 38 THR MG 1 53 PHE HZ . . 5.080 3.969 3.587 4.283 . 0 0 "[ . 1 . 2]" 1
1221 1 8 LEU HG 1 53 PHE HZ . . 5.310 4.911 4.549 5.196 . 0 0 "[ . 1 . 2]" 1
1222 1 31 PHE QE 1 53 PHE HZ . . 4.530 3.748 3.292 3.990 . 0 0 "[ . 1 . 2]" 1
1223 1 31 PHE QE 1 51 ILE MG . . 5.320 4.096 3.846 4.352 . 0 0 "[ . 1 . 2]" 1
1224 1 31 PHE QE 1 66 LEU MD1 . . 3.790 2.095 1.940 2.339 . 0 0 "[ . 1 . 2]" 1
1225 1 8 LEU HB2 1 31 PHE QE . . 5.500 4.735 4.501 5.012 . 0 0 "[ . 1 . 2]" 1
1226 1 31 PHE QE 1 78 LEU HG . . 5.500 4.428 4.123 5.033 . 0 0 "[ . 1 . 2]" 1
1227 1 31 PHE HA 1 31 PHE QE . . 5.210 4.817 4.719 4.859 . 0 0 "[ . 1 . 2]" 1
1228 1 27 PHE HZ 1 31 PHE QE . . 3.910 3.189 2.883 3.399 . 0 0 "[ . 1 . 2]" 1
1229 1 38 THR MG 1 40 PHE HZ . . 5.240 4.240 3.998 4.442 . 0 0 "[ . 1 . 2]" 1
1230 1 40 PHE HZ 1 51 ILE HG12 . . 5.500 4.733 4.439 4.952 . 0 0 "[ . 1 . 2]" 1
1231 1 32 ARG H 1 40 PHE HZ . . 4.990 2.174 1.970 2.561 . 0 0 "[ . 1 . 2]" 1
1232 1 31 PHE QD 1 51 ILE MG . . 4.600 2.931 2.566 3.400 . 0 0 "[ . 1 . 2]" 1
1233 1 31 PHE QD 1 51 ILE MD . . 4.090 3.242 2.932 3.709 . 0 0 "[ . 1 . 2]" 1
1234 1 31 PHE QD 1 66 LEU MD1 . . 3.900 2.757 2.547 2.911 . 0 0 "[ . 1 . 2]" 1
1235 1 31 PHE QD 1 62 ALA MB . . 3.890 2.462 2.152 2.841 . 0 0 "[ . 1 . 2]" 1
1236 1 31 PHE HA 1 31 PHE QD . . 4.110 3.102 2.924 3.198 . 0 0 "[ . 1 . 2]" 1
1237 1 31 PHE QD 1 40 PHE QD . . 4.400 3.990 3.836 4.178 . 0 0 "[ . 1 . 2]" 1
1238 1 31 PHE HZ 1 66 LEU MD1 . . 3.910 2.549 2.271 2.879 . 0 0 "[ . 1 . 2]" 1
1239 1 31 PHE HZ 1 78 LEU MD2 . . 4.270 3.063 2.619 3.518 . 0 0 "[ . 1 . 2]" 1
1240 1 27 PHE QE 1 31 PHE HZ . . 4.150 3.133 2.258 3.484 . 0 0 "[ . 1 . 2]" 1
1241 1 67 HIS HE1 1 79 TYR QE . . 4.570 4.394 4.025 4.564 . 0 0 "[ . 1 . 2]" 1
1242 1 34 TYR QD 1 35 ASP H . . 4.680 3.636 3.487 3.770 . 0 0 "[ . 1 . 2]" 1
1243 1 10 ALA MB 1 31 PHE QE . . 5.050 3.249 3.033 3.421 . 0 0 "[ . 1 . 2]" 1
1244 1 10 ALA MB 1 31 PHE HZ . . 4.050 2.701 2.536 2.866 . 0 0 "[ . 1 . 2]" 1
1245 1 17 VAL MG1 1 18 PHE QD . . 5.500 3.867 3.548 4.061 . 0 0 "[ . 1 . 2]" 1
1246 1 17 VAL MG1 1 18 PHE QE . . 5.500 4.051 3.653 4.270 . 0 0 "[ . 1 . 2]" 1
1247 1 12 VAL HB 1 18 PHE QD . . 5.410 4.589 4.299 4.854 . 0 0 "[ . 1 . 2]" 1
1248 1 18 PHE QD 1 42 TYR HA . . 5.500 4.553 4.169 4.937 . 0 0 "[ . 1 . 2]" 1
1249 1 18 PHE QE 1 44 LYS QB . . 5.500 5.295 4.975 5.499 . 0 0 "[ . 1 . 2]" 1
1250 1 18 PHE QE 1 42 TYR QB . . 3.780 3.510 3.209 3.780 0.000 8 0 "[ . 1 . 2]" 1
1251 1 18 PHE HA 1 18 PHE QE . . 4.990 4.727 4.666 4.784 . 0 0 "[ . 1 . 2]" 1
1252 1 15 ASP HA 1 18 PHE QE . . 4.230 3.070 2.673 3.486 . 0 0 "[ . 1 . 2]" 1
1253 1 43 PHE QE 1 50 ARG HB2 . . 3.720 2.220 1.999 2.697 . 0 0 "[ . 1 . 2]" 1
1254 1 43 PHE QE 1 50 ARG HB3 . . 3.720 3.080 2.172 3.644 . 0 0 "[ . 1 . 2]" 1
1255 1 43 PHE HZ 1 50 ARG QD . . 4.880 3.706 2.859 4.826 . 0 0 "[ . 1 . 2]" 1
1256 1 41 GLN QB 1 43 PHE HZ . . 4.030 2.913 2.377 3.749 . 0 0 "[ . 1 . 2]" 1
1257 1 46 PHE HA 1 46 PHE QD . . 3.950 2.687 2.053 3.090 . 0 0 "[ . 1 . 2]" 1
1258 1 43 PHE HB2 1 46 PHE QD . . 4.210 3.692 3.256 4.009 . 0 0 "[ . 1 . 2]" 1
1259 1 53 PHE HZ 1 59 ALA HA . . 5.500 3.655 3.313 3.863 . 0 0 "[ . 1 . 2]" 1
1260 1 71 PHE QE 1 72 LEU MD2 . . 4.950 3.775 2.439 4.488 . 0 0 "[ . 1 . 2]" 1
1261 1 27 PHE HB3 1 71 PHE QE . . 4.440 4.391 4.110 4.443 0.003 17 0 "[ . 1 . 2]" 1
1262 1 14 ASN QB 1 71 PHE HZ . . 5.500 5.179 4.902 5.495 . 0 0 "[ . 1 . 2]" 1
1263 1 27 PHE HB3 1 71 PHE HZ . . 4.220 3.883 3.621 3.995 . 0 0 "[ . 1 . 2]" 1
1264 1 26 LYS HB3 1 71 PHE HZ . . 3.920 3.503 3.060 3.920 . 0 0 "[ . 1 . 2]" 1
1265 1 71 PHE HZ 1 72 LEU MD1 . . 4.710 2.857 2.140 4.666 . 0 0 "[ . 1 . 2]" 1
1266 1 30 LEU MD1 1 71 PHE QD . . 3.560 2.176 1.980 2.579 . 0 0 "[ . 1 . 2]" 1
1267 1 30 LEU MD2 1 71 PHE QD . . 3.750 3.520 2.885 3.751 0.001 5 0 "[ . 1 . 2]" 1
1268 1 60 ALA HA 1 80 PHE QE . . 3.920 3.714 3.094 3.917 . 0 0 "[ . 1 . 2]" 1
1269 1 60 ALA H 1 80 PHE QE . . 5.020 4.695 4.394 5.015 . 0 0 "[ . 1 . 2]" 1
1270 1 8 LEU HG 1 80 PHE QE . . 4.890 4.047 3.371 4.583 . 0 0 "[ . 1 . 2]" 1
1271 1 60 ALA MB 1 80 PHE QE . . 5.090 4.035 3.821 4.201 . 0 0 "[ . 1 . 2]" 1
1272 1 12 VAL HA 1 13 ALA HA . . 4.510 4.373 4.353 4.411 . 0 0 "[ . 1 . 2]" 1
1273 1 19 SER QB 1 20 GLU H . . 4.210 3.071 2.514 3.907 . 0 0 "[ . 1 . 2]" 1
1274 1 67 HIS HE1 1 77 LYS HD2 . . 5.110 4.436 2.012 5.115 0.005 18 0 "[ . 1 . 2]" 1
1275 1 67 HIS HE1 1 77 LYS HD3 . . 5.110 3.990 2.006 4.847 . 0 0 "[ . 1 . 2]" 1
1276 1 19 SER HA 1 20 GLU QG . . 4.840 4.044 3.682 4.294 . 0 0 "[ . 1 . 2]" 1
1277 1 24 ARG HG2 1 42 TYR HH . . 4.930 3.409 2.128 4.692 . 0 0 "[ . 1 . 2]" 1
1278 1 24 ARG HG3 1 42 TYR HH . . 4.930 3.063 2.390 3.798 . 0 0 "[ . 1 . 2]" 1
1279 1 24 ARG HD2 1 42 TYR HH . . 5.420 4.341 3.005 5.398 . 0 0 "[ . 1 . 2]" 1
1280 1 24 ARG HD3 1 42 TYR HH . . 5.420 4.669 2.701 5.391 . 0 0 "[ . 1 . 2]" 1
1281 1 24 ARG HD2 1 42 TYR QE . . 5.200 3.753 2.606 5.185 . 0 0 "[ . 1 . 2]" 1
1282 1 24 ARG HD3 1 42 TYR QE . . 5.200 4.169 3.336 5.065 . 0 0 "[ . 1 . 2]" 1
1283 1 25 ALA HA 1 28 GLU HB2 . . 3.540 2.346 2.016 2.700 . 0 0 "[ . 1 . 2]" 1
1284 1 24 ARG HB3 1 25 ALA HA . . 4.440 4.284 4.061 4.439 . 0 0 "[ . 1 . 2]" 1
1285 1 18 PHE QD 1 44 LYS QB . . 4.400 4.207 3.916 4.401 0.001 5 0 "[ . 1 . 2]" 1
1286 1 18 PHE QD 1 44 LYS HA . . 4.220 3.382 2.833 3.852 . 0 0 "[ . 1 . 2]" 1
1287 1 22 GLU HA 1 24 ARG H . . 5.040 3.962 3.619 4.575 . 0 0 "[ . 1 . 2]" 1
1288 1 22 GLU HB2 1 26 LYS QE . . 5.450 4.367 3.619 4.996 . 0 0 "[ . 1 . 2]" 1
1289 1 22 GLU HB3 1 26 LYS QE . . 5.450 2.849 2.067 3.707 . 0 0 "[ . 1 . 2]" 1
1290 1 22 GLU HG2 1 25 ALA MB . . 5.280 3.715 2.826 4.586 . 0 0 "[ . 1 . 2]" 1
1291 1 22 GLU HG2 1 26 LYS QE . . 5.170 3.562 2.616 5.044 . 0 0 "[ . 1 . 2]" 1
1292 1 22 GLU HG3 1 26 LYS QE . . 5.170 4.414 3.183 5.137 . 0 0 "[ . 1 . 2]" 1
1293 1 20 GLU H 1 20 GLU QG . . 4.720 2.392 2.017 3.101 . 0 0 "[ . 1 . 2]" 1
1294 1 19 SER QB 1 20 GLU QG . . 5.230 4.570 3.693 5.123 . 0 0 "[ . 1 . 2]" 1
1295 1 19 SER H 1 19 SER QB . . 3.630 2.602 2.137 2.805 . 0 0 "[ . 1 . 2]" 1
1296 1 18 PHE QD 1 47 LYS QD . . 4.450 3.635 3.122 4.423 . 0 0 "[ . 1 . 2]" 1
1297 1 47 LYS H 1 47 LYS QD . . 4.120 3.666 2.026 3.991 . 0 0 "[ . 1 . 2]" 1
1298 1 6 SER QB 1 7 GLY H . . 4.400 3.834 2.745 4.054 . 0 0 "[ . 1 . 2]" 1
1299 1 6 SER QB 1 53 PHE HB2 . . 4.370 2.440 1.994 3.121 . 0 0 "[ . 1 . 2]" 1
1300 1 6 SER QB 1 55 ASN H . . 4.040 3.467 3.147 3.844 . 0 0 "[ . 1 . 2]" 1
1301 1 6 SER QB 1 55 ASN HA . . 4.020 3.638 3.313 3.957 . 0 0 "[ . 1 . 2]" 1
1302 1 6 SER QB 1 56 PRO HA . . 3.880 2.379 1.956 3.016 . 0 0 "[ . 1 . 2]" 1
1303 1 6 SER QB 1 56 PRO HB2 . . 5.210 4.477 4.003 4.955 . 0 0 "[ . 1 . 2]" 1
1304 1 6 SER QB 1 56 PRO HB3 . . 4.370 3.285 2.856 3.970 . 0 0 "[ . 1 . 2]" 1
1305 1 6 SER QB 1 59 ALA MB . . 3.750 2.764 2.066 3.694 . 0 0 "[ . 1 . 2]" 1
1306 1 7 GLY QA 1 8 LEU H . . 3.010 2.239 2.186 2.276 . 0 0 "[ . 1 . 2]" 1
1307 1 7 GLY QA 1 8 LEU HB2 . . 5.170 3.987 3.887 4.220 . 0 0 "[ . 1 . 2]" 1
1308 1 7 GLY QA 1 8 LEU HG . . 5.340 3.950 3.559 4.174 . 0 0 "[ . 1 . 2]" 1
1309 1 7 GLY QA 1 52 ASN HA . . 3.530 2.056 1.984 2.260 . 0 0 "[ . 1 . 2]" 1
1310 1 7 GLY QA 1 53 PHE H . . 4.020 2.952 2.769 3.134 . 0 0 "[ . 1 . 2]" 1
1311 1 7 GLY QA 1 53 PHE QD . . 3.910 2.863 2.594 3.080 . 0 0 "[ . 1 . 2]" 1
1312 1 7 GLY QA 1 59 ALA MB . . 5.340 4.330 4.034 4.546 . 0 0 "[ . 1 . 2]" 1
1313 1 7 GLY QA 1 81 ALA MB . . 3.630 2.476 2.129 3.005 . 0 0 "[ . 1 . 2]" 1
1314 1 8 LEU H 1 8 LEU QD . . 4.830 3.855 3.636 3.954 . 0 0 "[ . 1 . 2]" 1
1315 1 8 LEU HA 1 8 LEU QD . . 3.190 2.161 1.992 2.336 . 0 0 "[ . 1 . 2]" 1
1316 1 8 LEU HB2 1 8 LEU QD . . 3.110 2.159 2.026 2.286 . 0 0 "[ . 1 . 2]" 1
1317 1 8 LEU HB3 1 8 LEU QD . . 3.030 2.073 2.025 2.144 . 0 0 "[ . 1 . 2]" 1
1318 1 8 LEU HB3 1 78 LEU QD . . 3.950 2.435 2.088 3.121 . 0 0 "[ . 1 . 2]" 1
1319 1 8 LEU QD 1 9 ILE H . . 4.030 2.944 2.497 3.371 . 0 0 "[ . 1 . 2]" 1
1320 1 8 LEU QD 1 31 PHE QD . . 4.180 3.587 3.439 3.837 . 0 0 "[ . 1 . 2]" 1
1321 1 8 LEU QD 1 31 PHE QE . . 4.210 3.538 3.334 3.848 . 0 0 "[ . 1 . 2]" 1
1322 1 8 LEU QD 1 51 ILE HB . . 4.720 3.753 3.535 4.008 . 0 0 "[ . 1 . 2]" 1
1323 1 8 LEU QD 1 51 ILE MG . . 4.500 3.937 3.517 4.320 . 0 0 "[ . 1 . 2]" 1
1324 1 8 LEU QD 1 51 ILE MD . . 3.850 3.715 3.458 3.845 . 0 0 "[ . 1 . 2]" 1
1325 1 8 LEU QD 1 53 PHE QD . . 4.760 3.651 3.338 3.931 . 0 0 "[ . 1 . 2]" 1
1326 1 8 LEU QD 1 53 PHE QE . . 3.290 2.407 1.927 2.635 . 0 0 "[ . 1 . 2]" 1
1327 1 8 LEU QD 1 53 PHE HZ . . 4.160 2.594 2.130 2.816 . 0 0 "[ . 1 . 2]" 1
1328 1 8 LEU QD 1 59 ALA HA . . 3.990 2.038 1.964 2.305 . 0 0 "[ . 1 . 2]" 1
1329 1 8 LEU QD 1 59 ALA MB . . 3.410 2.234 1.920 2.602 . 0 0 "[ . 1 . 2]" 1
1330 1 8 LEU QD 1 60 ALA H . . 5.440 4.258 4.097 4.406 . 0 0 "[ . 1 . 2]" 1
1331 1 8 LEU QD 1 62 ALA H . . 5.440 4.123 3.898 4.348 . 0 0 "[ . 1 . 2]" 1
1332 1 8 LEU QD 1 62 ALA MB . . 3.080 2.456 2.202 2.741 . 0 0 "[ . 1 . 2]" 1
1333 1 8 LEU QD 1 63 ARG H . . 3.600 3.408 3.015 3.603 0.003 8 0 "[ . 1 . 2]" 1
1334 1 8 LEU QD 1 63 ARG HA . . 4.090 3.751 3.508 4.090 . 0 0 "[ . 1 . 2]" 1
1335 1 8 LEU QD 1 63 ARG QB . . 3.800 2.757 2.518 3.062 . 0 0 "[ . 1 . 2]" 1
1336 1 8 LEU QD 1 63 ARG HG2 . . 5.430 4.775 4.326 5.049 . 0 0 "[ . 1 . 2]" 1
1337 1 8 LEU QD 1 63 ARG HG3 . . 4.450 3.772 3.327 4.266 . 0 0 "[ . 1 . 2]" 1
1338 1 8 LEU QD 1 63 ARG QD . . 3.910 3.200 2.262 3.906 . 0 0 "[ . 1 . 2]" 1
1339 1 8 LEU QD 1 78 LEU QB . . 4.260 3.045 2.699 3.541 . 0 0 "[ . 1 . 2]" 1
1340 1 8 LEU QD 1 78 LEU QD . . 3.920 2.502 2.155 2.932 . 0 0 "[ . 1 . 2]" 1
1341 1 8 LEU QD 1 80 PHE H . . 4.970 3.782 3.559 3.995 . 0 0 "[ . 1 . 2]" 1
1342 1 8 LEU QD 1 80 PHE HA . . 3.340 2.059 1.949 2.250 . 0 0 "[ . 1 . 2]" 1
1343 1 8 LEU QD 1 80 PHE QB . . 4.240 3.670 3.520 3.898 . 0 0 "[ . 1 . 2]" 1
1344 1 8 LEU QD 1 80 PHE QD . . 3.610 2.472 1.968 3.029 . 0 0 "[ . 1 . 2]" 1
1345 1 8 LEU QD 1 80 PHE QE . . 3.880 2.872 2.217 3.358 . 0 0 "[ . 1 . 2]" 1
1346 1 8 LEU QD 1 81 ALA H . . 4.260 3.037 2.645 3.888 . 0 0 "[ . 1 . 2]" 1
1347 1 9 ILE MG 1 48 ARG QB . . 2.960 2.810 2.452 2.960 . 0 0 "[ . 1 . 2]" 1
1348 1 9 ILE MG 1 48 ARG QD . . 3.240 2.162 1.801 2.501 . 0 0 "[ . 1 . 2]" 1
1349 1 9 ILE MD 1 50 ARG QB . . 3.580 2.730 2.101 3.497 . 0 0 "[ . 1 . 2]" 1
1350 1 10 ALA H 1 78 LEU QD . . 5.440 3.331 2.835 3.683 . 0 0 "[ . 1 . 2]" 1
1351 1 10 ALA HA 1 11 CYS QB . . 4.690 4.032 3.949 4.123 . 0 0 "[ . 1 . 2]" 1
1352 1 10 ALA HA 1 78 LEU QD . . 3.350 2.459 1.858 2.826 . 0 0 "[ . 1 . 2]" 1
1353 1 10 ALA MB 1 49 VAL QG . . 3.500 2.886 2.628 3.162 . 0 0 "[ . 1 . 2]" 1
1354 1 10 ALA MB 1 78 LEU QD . . 3.040 1.897 1.780 2.229 . 0 0 "[ . 1 . 2]" 1
1355 1 11 CYS H 1 78 LEU QD . . 4.210 3.958 3.353 4.168 . 0 0 "[ . 1 . 2]" 1
1356 1 11 CYS QB 1 12 VAL H . . 4.180 3.848 3.638 3.930 . 0 0 "[ . 1 . 2]" 1
1357 1 11 CYS QB 1 76 MET QG . . 4.840 4.012 3.758 4.366 . 0 0 "[ . 1 . 2]" 1
1358 1 11 CYS QB 1 77 LYS H . . 4.140 2.941 2.600 3.199 . 0 0 "[ . 1 . 2]" 1
1359 1 11 CYS QB 1 77 LYS HB2 . . 3.210 2.182 1.968 2.630 . 0 0 "[ . 1 . 2]" 1
1360 1 11 CYS QB 1 77 LYS HB3 . . 3.560 2.906 2.163 3.417 . 0 0 "[ . 1 . 2]" 1
1361 1 11 CYS QB 1 78 LEU HA . . 5.250 4.366 4.087 4.596 . 0 0 "[ . 1 . 2]" 1
1362 1 11 CYS QB 1 79 TYR QE . . 4.030 3.282 2.525 4.031 0.001 19 0 "[ . 1 . 2]" 1
1363 1 12 VAL HA 1 76 MET QB . . 4.390 3.028 2.701 3.941 . 0 0 "[ . 1 . 2]" 1
1364 1 12 VAL HB 1 49 VAL QG . . 5.010 3.882 3.528 4.563 . 0 0 "[ . 1 . 2]" 1
1365 1 12 VAL MG1 1 76 MET QB . . 3.710 2.624 2.284 2.951 . 0 0 "[ . 1 . 2]" 1
1366 1 12 VAL MG2 1 49 VAL QG . . 3.090 2.024 1.772 2.442 . 0 0 "[ . 1 . 2]" 1
1367 1 14 ASN QB 1 72 LEU QD . . 4.620 4.286 3.792 4.623 0.003 15 0 "[ . 1 . 2]" 1
1368 1 14 ASN QD 1 23 THR MG . . 4.340 3.821 3.484 4.265 . 0 0 "[ . 1 . 2]" 1
1369 1 14 ASN QD 1 71 PHE QD . . 3.330 3.061 2.525 3.336 0.006 13 0 "[ . 1 . 2]" 1
1370 1 14 ASN QD 1 72 LEU QB . . 3.360 2.572 1.950 2.923 . 0 0 "[ . 1 . 2]" 1
1371 1 14 ASN QD 1 72 LEU HG . . 5.340 4.742 3.447 5.344 0.004 9 0 "[ . 1 . 2]" 1
1372 1 14 ASN QD 1 72 LEU QD . . 3.750 3.183 2.708 3.516 . 0 0 "[ . 1 . 2]" 1
1373 1 14 ASN QD 1 74 LYS HB2 . . 4.470 2.669 2.042 3.242 . 0 0 "[ . 1 . 2]" 1
1374 1 14 ASN QD 1 74 LYS QG . . 4.390 2.403 1.875 3.005 . 0 0 "[ . 1 . 2]" 1
1375 1 16 ASP QB 1 72 LEU QD . . 4.810 4.680 4.184 4.814 0.004 16 0 "[ . 1 . 2]" 1
1376 1 17 VAL MG1 1 27 PHE QB . . 3.740 2.341 2.004 2.555 . 0 0 "[ . 1 . 2]" 1
1377 1 17 VAL MG1 1 49 VAL QG . . 3.680 3.151 2.918 3.291 . 0 0 "[ . 1 . 2]" 1
1378 1 18 PHE H 1 18 PHE QB . . 3.570 2.450 2.394 2.520 . 0 0 "[ . 1 . 2]" 1
1379 1 18 PHE QB 1 44 LYS QB . . 4.460 4.432 4.192 4.463 0.003 17 0 "[ . 1 . 2]" 1
1380 1 18 PHE QB 1 44 LYS QG . . 4.080 3.325 2.308 4.071 . 0 0 "[ . 1 . 2]" 1
1381 1 18 PHE QB 1 44 LYS QD . . 3.730 3.244 2.515 3.725 . 0 0 "[ . 1 . 2]" 1
1382 1 18 PHE QD 1 44 LYS QG . . 4.770 3.562 2.484 4.460 . 0 0 "[ . 1 . 2]" 1
1383 1 18 PHE QD 1 49 VAL QG . . 4.630 4.127 3.869 4.453 . 0 0 "[ . 1 . 2]" 1
1384 1 18 PHE QE 1 44 LYS QG . . 5.340 4.811 3.969 5.326 . 0 0 "[ . 1 . 2]" 1
1385 1 18 PHE QE 1 47 LYS QB . . 5.340 3.568 3.207 4.055 . 0 0 "[ . 1 . 2]" 1
1386 1 18 PHE QE 1 47 LYS QG . . 5.340 4.317 3.168 4.812 . 0 0 "[ . 1 . 2]" 1
1387 1 18 PHE QE 1 49 VAL QG . . 3.520 3.095 2.814 3.348 . 0 0 "[ . 1 . 2]" 1
1388 1 18 PHE HZ 1 47 LYS QB . . 3.720 2.903 2.663 3.413 . 0 0 "[ . 1 . 2]" 1
1389 1 18 PHE HZ 1 47 LYS QG . . 5.340 4.389 3.329 4.977 . 0 0 "[ . 1 . 2]" 1
1390 1 18 PHE HZ 1 49 VAL QG . . 3.490 3.230 3.028 3.445 . 0 0 "[ . 1 . 2]" 1
1391 1 22 GLU QB 1 22 GLU QG . . 2.350 2.043 1.978 2.087 . 0 0 "[ . 1 . 2]" 1
1392 1 22 GLU QB 1 23 THR HA . . 4.550 3.767 3.600 3.953 . 0 0 "[ . 1 . 2]" 1
1393 1 22 GLU QB 1 25 ALA MB . . 4.550 4.181 3.818 4.454 . 0 0 "[ . 1 . 2]" 1
1394 1 22 GLU QB 1 26 LYS QE . . 4.730 2.812 2.055 3.612 . 0 0 "[ . 1 . 2]" 1
1395 1 22 GLU QG 1 25 ALA MB . . 4.570 3.144 2.569 3.916 . 0 0 "[ . 1 . 2]" 1
1396 1 23 THR HA 1 26 LYS QB . . 3.720 3.193 2.852 3.545 . 0 0 "[ . 1 . 2]" 1
1397 1 23 THR HA 1 72 LEU QD . . 4.360 3.742 3.369 4.143 . 0 0 "[ . 1 . 2]" 1
1398 1 23 THR MG 1 26 LYS QB . . 4.270 3.154 2.744 3.539 . 0 0 "[ . 1 . 2]" 1
1399 1 23 THR MG 1 72 LEU QD . . 3.080 2.569 2.082 2.979 . 0 0 "[ . 1 . 2]" 1
1400 1 24 ARG HA 1 24 ARG QG . . 3.370 2.527 2.374 2.616 . 0 0 "[ . 1 . 2]" 1
1401 1 24 ARG HA 1 24 ARG QD . . 4.880 3.959 3.553 4.243 . 0 0 "[ . 1 . 2]" 1
1402 1 24 ARG HA 1 27 PHE QB . . 3.490 2.931 2.610 3.183 . 0 0 "[ . 1 . 2]" 1
1403 1 24 ARG QG 1 28 GLU HG3 . . 4.430 3.208 2.503 3.882 . 0 0 "[ . 1 . 2]" 1
1404 1 24 ARG QG 1 42 TYR QE . . 4.360 3.004 2.168 3.321 . 0 0 "[ . 1 . 2]" 1
1405 1 24 ARG QG 1 42 TYR HH . . 4.300 2.755 2.068 3.431 . 0 0 "[ . 1 . 2]" 1
1406 1 24 ARG QD 1 42 TYR QE . . 4.510 3.290 2.564 4.265 . 0 0 "[ . 1 . 2]" 1
1407 1 24 ARG QD 1 42 TYR HH . . 4.600 3.806 2.660 4.601 0.001 6 0 "[ . 1 . 2]" 1
1408 1 25 ALA MB 1 26 LYS QB . . 5.340 4.325 4.181 4.413 . 0 0 "[ . 1 . 2]" 1
1409 1 26 LYS H 1 26 LYS QB . . 3.280 2.477 2.363 2.603 . 0 0 "[ . 1 . 2]" 1
1410 1 26 LYS QB 1 26 LYS HD2 . . 3.320 2.125 2.054 2.230 . 0 0 "[ . 1 . 2]" 1
1411 1 26 LYS QB 1 27 PHE H . . 3.470 2.642 2.260 2.891 . 0 0 "[ . 1 . 2]" 1
1412 1 26 LYS QB 1 71 PHE HZ . . 3.420 2.729 2.358 2.972 . 0 0 "[ . 1 . 2]" 1
1413 1 26 LYS QB 1 72 LEU QD . . 3.810 2.440 2.240 2.635 . 0 0 "[ . 1 . 2]" 1
1414 1 26 LYS HD2 1 72 LEU QD . . 3.610 2.708 2.056 3.611 0.001 7 0 "[ . 1 . 2]" 1
1415 1 26 LYS QE 1 72 LEU QD . . 4.010 3.650 3.375 3.964 . 0 0 "[ . 1 . 2]" 1
1416 1 27 PHE HA 1 30 LEU QB . . 4.540 3.420 3.056 3.655 . 0 0 "[ . 1 . 2]" 1
1417 1 27 PHE QB 1 28 GLU H . . 3.560 2.716 2.292 3.097 . 0 0 "[ . 1 . 2]" 1
1418 1 27 PHE QB 1 71 PHE HZ . . 3.560 2.615 2.352 2.838 . 0 0 "[ . 1 . 2]" 1
1419 1 27 PHE QD 1 49 VAL QG . . 5.440 3.514 3.295 3.902 . 0 0 "[ . 1 . 2]" 1
1420 1 27 PHE QE 1 49 VAL QG . . 3.140 2.215 1.930 2.637 . 0 0 "[ . 1 . 2]" 1
1421 1 27 PHE QE 1 78 LEU QD . . 4.600 4.234 3.505 4.426 . 0 0 "[ . 1 . 2]" 1
1422 1 27 PHE HZ 1 49 VAL QG . . 3.240 2.232 1.995 2.492 . 0 0 "[ . 1 . 2]" 1
1423 1 28 GLU HG2 1 40 PHE QB . . 5.340 3.427 3.135 3.648 . 0 0 "[ . 1 . 2]" 1
1424 1 29 SER HA 1 32 ARG QB . . 2.980 2.455 2.118 2.608 . 0 0 "[ . 1 . 2]" 1
1425 1 30 LEU H 1 30 LEU QB . . 3.150 2.401 2.257 2.670 . 0 0 "[ . 1 . 2]" 1
1426 1 30 LEU QB 1 30 LEU MD1 . . 2.870 2.045 1.987 2.101 . 0 0 "[ . 1 . 2]" 1
1427 1 30 LEU QB 1 31 PHE H . . 3.410 2.387 2.136 2.849 . 0 0 "[ . 1 . 2]" 1
1428 1 30 LEU QB 1 31 PHE QD . . 4.560 2.819 2.649 3.281 . 0 0 "[ . 1 . 2]" 1
1429 1 30 LEU QB 1 31 PHE QE . . 4.410 3.103 2.786 3.403 . 0 0 "[ . 1 . 2]" 1
1430 1 30 LEU QB 1 66 LEU MD1 . . 3.270 2.668 2.466 2.843 . 0 0 "[ . 1 . 2]" 1
1431 1 31 PHE QB 1 32 ARG H . . 3.560 2.329 2.186 2.509 . 0 0 "[ . 1 . 2]" 1
1432 1 31 PHE QB 1 32 ARG HA . . 5.010 3.767 3.732 3.801 . 0 0 "[ . 1 . 2]" 1
1433 1 31 PHE QB 1 38 THR MG . . 3.730 3.291 3.085 3.513 . 0 0 "[ . 1 . 2]" 1
1434 1 31 PHE QB 1 40 PHE QE . . 3.690 2.103 1.986 2.487 . 0 0 "[ . 1 . 2]" 1
1435 1 31 PHE QB 1 40 PHE HZ . . 3.530 2.099 1.989 2.464 . 0 0 "[ . 1 . 2]" 1
1436 1 31 PHE QB 1 51 ILE MG . . 3.700 2.417 2.201 2.735 . 0 0 "[ . 1 . 2]" 1
1437 1 31 PHE QB 1 51 ILE HG12 . . 4.810 3.706 3.283 4.050 . 0 0 "[ . 1 . 2]" 1
1438 1 31 PHE QB 1 51 ILE MD . . 4.790 3.942 3.578 4.357 . 0 0 "[ . 1 . 2]" 1
1439 1 31 PHE QB 1 53 PHE QE . . 3.820 2.937 2.649 3.151 . 0 0 "[ . 1 . 2]" 1
1440 1 31 PHE QB 1 53 PHE HZ . . 4.390 3.016 2.633 3.784 . 0 0 "[ . 1 . 2]" 1
1441 1 31 PHE QD 1 78 LEU QD . . 5.060 3.867 3.599 4.088 . 0 0 "[ . 1 . 2]" 1
1442 1 31 PHE QE 1 78 LEU QD . . 3.430 2.168 1.881 2.422 . 0 0 "[ . 1 . 2]" 1
1443 1 31 PHE HZ 1 78 LEU QD . . 3.270 2.843 2.385 3.084 . 0 0 "[ . 1 . 2]" 1
1444 1 32 ARG H 1 32 ARG QB . . 3.050 2.077 2.056 2.122 . 0 0 "[ . 1 . 2]" 1
1445 1 32 ARG QB 1 32 ARG HD2 . . 3.610 2.201 2.048 2.369 . 0 0 "[ . 1 . 2]" 1
1446 1 32 ARG QB 1 32 ARG HD3 . . 3.690 2.895 2.768 3.089 . 0 0 "[ . 1 . 2]" 1
1447 1 32 ARG QB 1 33 THR H . . 3.690 2.526 2.406 2.811 . 0 0 "[ . 1 . 2]" 1
1448 1 32 ARG QB 1 33 THR MG . . 5.340 4.883 4.185 5.236 . 0 0 "[ . 1 . 2]" 1
1449 1 34 TYR QE 1 65 ARG QG . . 4.390 3.514 3.079 4.212 . 0 0 "[ . 1 . 2]" 1
1450 1 36 LYS H 1 36 LYS QG . . 4.070 2.545 2.070 2.845 . 0 0 "[ . 1 . 2]" 1
1451 1 36 LYS QG 1 37 ASP H . . 4.310 3.701 2.219 4.310 0.000 10 0 "[ . 1 . 2]" 1
1452 1 37 ASP H 1 37 ASP QB . . 3.270 2.231 2.122 2.403 . 0 0 "[ . 1 . 2]" 1
1453 1 37 ASP QB 1 54 SER HA . . 5.220 4.377 4.002 4.650 . 0 0 "[ . 1 . 2]" 1
1454 1 37 ASP QB 1 54 SER QB . . 3.230 2.507 2.225 2.782 . 0 0 "[ . 1 . 2]" 1
1455 1 39 THR H 1 52 ASN QB . . 3.620 3.058 2.788 3.332 . 0 0 "[ . 1 . 2]" 1
1456 1 39 THR HA 1 40 PHE QB . . 5.340 4.419 4.331 4.464 . 0 0 "[ . 1 . 2]" 1
1457 1 39 THR HB 1 52 ASN QB . . 4.620 4.008 3.560 4.313 . 0 0 "[ . 1 . 2]" 1
1458 1 39 THR MG 1 52 ASN QB . . 4.760 3.183 2.644 3.784 . 0 0 "[ . 1 . 2]" 1
1459 1 40 PHE H 1 40 PHE QB . . 3.410 2.563 2.512 2.627 . 0 0 "[ . 1 . 2]" 1
1460 1 40 PHE HA 1 49 VAL QG . . 5.440 3.769 3.583 3.982 . 0 0 "[ . 1 . 2]" 1
1461 1 40 PHE QB 1 41 GLN H . . 3.910 3.083 2.859 3.263 . 0 0 "[ . 1 . 2]" 1
1462 1 40 PHE QB 1 41 GLN HA . . 4.830 4.153 4.068 4.235 . 0 0 "[ . 1 . 2]" 1
1463 1 40 PHE QB 1 42 TYR QE . . 3.330 2.442 2.021 2.780 . 0 0 "[ . 1 . 2]" 1
1464 1 40 PHE QB 1 49 VAL QG . . 3.750 3.093 2.920 3.509 . 0 0 "[ . 1 . 2]" 1
1465 1 40 PHE QB 1 51 ILE HG12 . . 5.340 3.958 3.496 4.381 . 0 0 "[ . 1 . 2]" 1
1466 1 40 PHE QD 1 49 VAL QG . . 3.390 3.098 2.958 3.324 . 0 0 "[ . 1 . 2]" 1
1467 1 40 PHE QE 1 49 VAL QG . . 5.310 4.597 4.360 4.781 . 0 0 "[ . 1 . 2]" 1
1468 1 41 GLN H 1 41 GLN QG . . 4.700 3.990 3.651 4.244 . 0 0 "[ . 1 . 2]" 1
1469 1 41 GLN H 1 49 VAL QG . . 3.940 3.034 2.683 3.269 . 0 0 "[ . 1 . 2]" 1
1470 1 41 GLN H 1 50 ARG QB . . 4.590 3.471 3.148 3.816 . 0 0 "[ . 1 . 2]" 1
1471 1 41 GLN HA 1 49 VAL QG . . 5.120 4.562 4.258 4.824 . 0 0 "[ . 1 . 2]" 1
1472 1 41 GLN QG 1 42 TYR H . . 4.020 3.539 3.251 3.901 . 0 0 "[ . 1 . 2]" 1
1473 1 41 GLN QG 1 43 PHE QE . . 4.150 3.094 2.167 4.080 . 0 0 "[ . 1 . 2]" 1
1474 1 41 GLN QG 1 43 PHE HZ . . 4.790 3.325 2.401 4.157 . 0 0 "[ . 1 . 2]" 1
1475 1 41 GLN QE 1 50 ARG QD . . 4.780 4.074 2.303 4.721 . 0 0 "[ . 1 . 2]" 1
1476 1 42 TYR H 1 49 VAL QG . . 5.180 4.084 3.707 4.365 . 0 0 "[ . 1 . 2]" 1
1477 1 42 TYR QB 1 49 VAL QG . . 4.380 3.426 2.973 3.831 . 0 0 "[ . 1 . 2]" 1
1478 1 42 TYR QD 1 49 VAL QG . . 3.280 2.385 1.900 2.822 . 0 0 "[ . 1 . 2]" 1
1479 1 42 TYR QE 1 49 VAL QG . . 3.420 2.579 2.175 2.973 . 0 0 "[ . 1 . 2]" 1
1480 1 42 TYR HH 1 49 VAL QG . . 5.440 3.566 3.096 4.133 . 0 0 "[ . 1 . 2]" 1
1481 1 43 PHE H 1 49 VAL QG . . 4.570 3.469 3.029 3.854 . 0 0 "[ . 1 . 2]" 1
1482 1 43 PHE HB2 1 48 ARG QB . . 3.690 2.694 2.365 2.880 . 0 0 "[ . 1 . 2]" 1
1483 1 43 PHE HB3 1 48 ARG QB . . 4.300 3.969 3.428 4.208 . 0 0 "[ . 1 . 2]" 1
1484 1 43 PHE QD 1 49 VAL QG . . 4.910 4.480 3.654 4.883 . 0 0 "[ . 1 . 2]" 1
1485 1 44 LYS HA 1 44 LYS QG . . 3.730 2.184 2.027 2.562 . 0 0 "[ . 1 . 2]" 1
1486 1 45 SER HA 1 45 SER QB . . 2.420 2.367 2.184 2.483 0.063 1 0 "[ . 1 . 2]" 1
1487 1 46 PHE H 1 47 LYS QG . . 5.340 4.625 4.169 5.183 . 0 0 "[ . 1 . 2]" 1
1488 1 46 PHE HB2 1 48 ARG QB . . 4.350 2.643 2.437 3.094 . 0 0 "[ . 1 . 2]" 1
1489 1 46 PHE HB2 1 48 ARG QD . . 5.340 3.830 2.726 4.628 . 0 0 "[ . 1 . 2]" 1
1490 1 46 PHE HB3 1 48 ARG QB . . 4.630 3.324 2.808 3.702 . 0 0 "[ . 1 . 2]" 1
1491 1 46 PHE HB3 1 48 ARG QD . . 4.540 3.642 2.662 4.387 . 0 0 "[ . 1 . 2]" 1
1492 1 46 PHE QD 1 48 ARG QB . . 4.570 4.218 3.912 4.519 . 0 0 "[ . 1 . 2]" 1
1493 1 47 LYS HA 1 47 LYS QG . . 3.360 2.616 2.393 2.914 . 0 0 "[ . 1 . 2]" 1
1494 1 47 LYS QB 1 47 LYS QD . . 2.960 2.181 1.971 2.316 . 0 0 "[ . 1 . 2]" 1
1495 1 47 LYS QE 1 47 LYS QG . . 3.490 2.151 1.945 2.367 . 0 0 "[ . 1 . 2]" 1
1496 1 48 ARG H 1 48 ARG QB . . 3.590 2.348 2.234 2.489 . 0 0 "[ . 1 . 2]" 1
1497 1 48 ARG HA 1 48 ARG QD . . 4.190 3.943 3.788 3.998 . 0 0 "[ . 1 . 2]" 1
1498 1 48 ARG HA 1 49 VAL QG . . 4.270 3.100 2.969 3.247 . 0 0 "[ . 1 . 2]" 1
1499 1 48 ARG QB 1 48 ARG QD . . 3.320 2.128 2.012 2.252 . 0 0 "[ . 1 . 2]" 1
1500 1 48 ARG QB 1 49 VAL H . . 3.530 2.474 2.127 2.759 . 0 0 "[ . 1 . 2]" 1
1501 1 48 ARG QB 1 49 VAL QG . . 4.140 3.994 3.846 4.133 . 0 0 "[ . 1 . 2]" 1
1502 1 48 ARG QG 1 49 VAL QG . . 4.570 4.496 4.390 4.556 . 0 0 "[ . 1 . 2]" 1
1503 1 49 VAL H 1 49 VAL QG . . 3.490 2.686 2.440 2.883 . 0 0 "[ . 1 . 2]" 1
1504 1 49 VAL HA 1 49 VAL QG . . 3.040 2.106 2.036 2.167 . 0 0 "[ . 1 . 2]" 1
1505 1 49 VAL QG 1 50 ARG H . . 3.440 2.889 2.631 3.095 . 0 0 "[ . 1 . 2]" 1
1506 1 49 VAL QG 1 50 ARG HA . . 5.070 4.038 3.792 4.249 . 0 0 "[ . 1 . 2]" 1
1507 1 49 VAL QG 1 51 ILE HA . . 4.970 4.216 4.031 4.393 . 0 0 "[ . 1 . 2]" 1
1508 1 49 VAL QG 1 51 ILE MG . . 5.440 4.326 4.143 4.517 . 0 0 "[ . 1 . 2]" 1
1509 1 49 VAL QG 1 51 ILE HG12 . . 4.090 3.208 2.922 3.495 . 0 0 "[ . 1 . 2]" 1
1510 1 49 VAL QG 1 51 ILE HG13 . . 3.760 2.422 2.058 2.788 . 0 0 "[ . 1 . 2]" 1
1511 1 49 VAL QG 1 51 ILE MD . . 3.770 2.400 2.083 2.786 . 0 0 "[ . 1 . 2]" 1
1512 1 50 ARG H 1 50 ARG QB . . 3.180 2.273 2.108 2.359 . 0 0 "[ . 1 . 2]" 1
1513 1 50 ARG QB 1 51 ILE H . . 4.370 3.827 3.668 3.919 . 0 0 "[ . 1 . 2]" 1
1514 1 50 ARG QG 1 52 ASN QD . . 5.040 3.918 1.999 5.012 . 0 0 "[ . 1 . 2]" 1
1515 1 51 ILE HA 1 52 ASN QB . . 5.020 4.229 3.998 4.662 . 0 0 "[ . 1 . 2]" 1
1516 1 51 ILE MD 1 78 LEU QD . . 3.610 2.783 2.499 3.107 . 0 0 "[ . 1 . 2]" 1
1517 1 52 ASN H 1 52 ASN QB . . 3.320 2.320 2.127 2.699 . 0 0 "[ . 1 . 2]" 1
1518 1 52 ASN QB 1 53 PHE H . . 4.170 3.332 2.971 3.696 . 0 0 "[ . 1 . 2]" 1
1519 1 54 SER H 1 54 SER QB . . 3.370 2.400 2.232 2.786 . 0 0 "[ . 1 . 2]" 1
1520 1 54 SER QB 1 55 ASN H . . 3.940 3.410 3.012 3.749 . 0 0 "[ . 1 . 2]" 1
1521 1 55 ASN HA 1 56 PRO QG . . 4.480 3.941 3.913 4.001 . 0 0 "[ . 1 . 2]" 1
1522 1 55 ASN QB 1 56 PRO QG . . 4.710 3.717 3.573 3.810 . 0 0 "[ . 1 . 2]" 1
1523 1 55 ASN QB 1 56 PRO HD2 . . 3.120 2.242 2.044 2.337 . 0 0 "[ . 1 . 2]" 1
1524 1 55 ASN QB 1 56 PRO HD3 . . 3.570 3.485 3.348 3.555 . 0 0 "[ . 1 . 2]" 1
1525 1 55 ASN QB 1 57 LEU H . . 3.960 2.427 2.174 2.673 . 0 0 "[ . 1 . 2]" 1
1526 1 55 ASN QB 1 58 SER H . . 4.530 3.602 2.844 3.996 . 0 0 "[ . 1 . 2]" 1
1527 1 55 ASN QB 1 58 SER HB2 . . 5.340 4.423 3.467 4.885 . 0 0 "[ . 1 . 2]" 1
1528 1 55 ASN QD 1 58 SER H . . 4.430 3.403 1.782 4.138 . 0 0 "[ . 1 . 2]" 1
1529 1 55 ASN QD 1 58 SER HB2 . . 4.520 3.003 1.883 3.843 . 0 0 "[ . 1 . 2]" 1
1530 1 55 ASN QD 1 58 SER HB3 . . 5.340 4.435 3.088 5.325 . 0 0 "[ . 1 . 2]" 1
1531 1 56 PRO QG 1 57 LEU H . . 4.010 3.036 2.389 3.293 . 0 0 "[ . 1 . 2]" 1
1532 1 56 PRO QG 1 57 LEU QD . . 4.610 3.536 2.935 3.959 . 0 0 "[ . 1 . 2]" 1
1533 1 57 LEU H 1 57 LEU QD . . 3.710 2.993 2.435 3.374 . 0 0 "[ . 1 . 2]" 1
1534 1 57 LEU HA 1 57 LEU QD . . 3.160 2.508 1.980 2.992 . 0 0 "[ . 1 . 2]" 1
1535 1 57 LEU HB2 1 57 LEU QD . . 2.830 2.055 1.943 2.227 . 0 0 "[ . 1 . 2]" 1
1536 1 57 LEU HB3 1 57 LEU QD . . 2.860 2.041 1.966 2.129 . 0 0 "[ . 1 . 2]" 1
1537 1 60 ALA MB 1 63 ARG QD . . 5.340 4.944 4.673 5.310 . 0 0 "[ . 1 . 2]" 1
1538 1 60 ALA MB 1 64 LEU QD . . 4.160 4.136 3.945 4.172 0.012 9 0 "[ . 1 . 2]" 1
1539 1 61 ASP HA 1 64 LEU QD . . 3.920 2.150 1.997 2.312 . 0 0 "[ . 1 . 2]" 1
1540 1 63 ARG H 1 78 LEU QD . . 4.960 4.291 4.029 4.608 . 0 0 "[ . 1 . 2]" 1
1541 1 63 ARG HA 1 63 ARG QD . . 4.430 3.949 3.706 4.135 . 0 0 "[ . 1 . 2]" 1
1542 1 63 ARG HA 1 78 LEU QD . . 3.300 2.420 2.142 2.734 . 0 0 "[ . 1 . 2]" 1
1543 1 63 ARG HG3 1 78 LEU QB . . 4.280 2.722 2.332 3.137 . 0 0 "[ . 1 . 2]" 1
1544 1 63 ARG QD 1 80 PHE QE . . 4.220 3.109 2.106 3.761 . 0 0 "[ . 1 . 2]" 1
1545 1 64 LEU H 1 64 LEU QD . . 4.130 3.364 3.265 3.546 . 0 0 "[ . 1 . 2]" 1
1546 1 64 LEU HA 1 64 LEU QD . . 3.100 3.022 2.743 3.095 . 0 0 "[ . 1 . 2]" 1
1547 1 64 LEU QD 1 65 ARG H . . 4.520 3.013 2.824 3.370 . 0 0 "[ . 1 . 2]" 1
1548 1 65 ARG H 1 65 ARG QG . . 3.040 3.016 2.842 3.044 0.004 10 0 "[ . 1 . 2]" 1
1549 1 65 ARG HA 1 65 ARG QG . . 2.890 2.118 2.095 2.194 . 0 0 "[ . 1 . 2]" 1
1550 1 66 LEU H 1 78 LEU QD . . 4.360 3.875 3.736 4.107 . 0 0 "[ . 1 . 2]" 1
1551 1 66 LEU HB2 1 78 LEU QD . . 3.490 1.975 1.850 2.228 . 0 0 "[ . 1 . 2]" 1
1552 1 66 LEU HB3 1 78 LEU QD . . 3.500 2.599 2.295 2.901 . 0 0 "[ . 1 . 2]" 1
1553 1 67 HIS H 1 78 LEU QB . . 5.340 4.141 3.877 4.544 . 0 0 "[ . 1 . 2]" 1
1554 1 67 HIS H 1 78 LEU QD . . 4.180 1.902 1.786 2.298 . 0 0 "[ . 1 . 2]" 1
1555 1 67 HIS HA 1 78 LEU QB . . 3.840 2.934 2.602 3.391 . 0 0 "[ . 1 . 2]" 1
1556 1 67 HIS HA 1 78 LEU QD . . 3.790 2.129 1.945 2.388 . 0 0 "[ . 1 . 2]" 1
1557 1 67 HIS HB2 1 78 LEU QB . . 3.860 3.417 3.220 3.727 . 0 0 "[ . 1 . 2]" 1
1558 1 67 HIS HB2 1 78 LEU QD . . 4.380 2.626 2.360 3.088 . 0 0 "[ . 1 . 2]" 1
1559 1 67 HIS HB3 1 68 LYS QD . . 5.340 3.674 2.864 4.876 . 0 0 "[ . 1 . 2]" 1
1560 1 67 HIS HB3 1 78 LEU QB . . 5.340 4.603 4.349 4.983 . 0 0 "[ . 1 . 2]" 1
1561 1 67 HIS HB3 1 78 LEU QD . . 4.420 3.849 3.690 4.163 . 0 0 "[ . 1 . 2]" 1
1562 1 67 HIS HD2 1 68 LYS QG . . 4.580 4.414 3.657 4.585 0.005 19 0 "[ . 1 . 2]" 1
1563 1 67 HIS HD2 1 68 LYS QD . . 4.710 3.545 2.521 4.700 . 0 0 "[ . 1 . 2]" 1
1564 1 67 HIS HD2 1 68 LYS QE . . 5.340 4.140 2.465 5.321 . 0 0 "[ . 1 . 2]" 1
1565 1 67 HIS HE1 1 68 LYS QG . . 4.540 4.156 3.966 4.471 . 0 0 "[ . 1 . 2]" 1
1566 1 67 HIS HE1 1 77 LYS QG . . 3.790 2.712 2.093 3.789 . 0 0 "[ . 1 . 2]" 1
1567 1 67 HIS HE1 1 77 LYS QD . . 4.420 3.684 1.827 4.425 0.005 15 0 "[ . 1 . 2]" 1
1568 1 68 LYS H 1 78 LEU QD . . 5.440 4.496 4.327 4.828 . 0 0 "[ . 1 . 2]" 1
1569 1 68 LYS HA 1 68 LYS QG . . 3.500 2.352 2.281 2.489 . 0 0 "[ . 1 . 2]" 1
1570 1 68 LYS HA 1 75 GLU QG . . 3.560 2.011 1.834 2.130 . 0 0 "[ . 1 . 2]" 1
1571 1 68 LYS HB2 1 68 LYS QD . . 3.600 2.193 1.984 2.485 . 0 0 "[ . 1 . 2]" 1
1572 1 71 PHE HA 1 72 LEU QD . . 4.830 3.932 3.162 4.499 . 0 0 "[ . 1 . 2]" 1
1573 1 71 PHE QB 1 76 MET QB . . 3.890 2.678 2.462 2.951 . 0 0 "[ . 1 . 2]" 1
1574 1 71 PHE QD 1 72 LEU QB . . 4.230 2.974 2.365 3.248 . 0 0 "[ . 1 . 2]" 1
1575 1 71 PHE QD 1 72 LEU QD . . 4.500 3.085 2.705 3.393 . 0 0 "[ . 1 . 2]" 1
1576 1 71 PHE QE 1 72 LEU QB . . 4.930 3.226 2.546 3.503 . 0 0 "[ . 1 . 2]" 1
1577 1 71 PHE QE 1 72 LEU QD . . 3.760 2.442 2.172 2.702 . 0 0 "[ . 1 . 2]" 1
1578 1 71 PHE HZ 1 72 LEU QD . . 3.750 2.433 2.133 2.822 . 0 0 "[ . 1 . 2]" 1
1579 1 72 LEU H 1 72 LEU QD . . 3.830 3.053 2.204 3.664 . 0 0 "[ . 1 . 2]" 1
1580 1 72 LEU HA 1 72 LEU QD . . 3.100 2.514 1.882 2.939 . 0 0 "[ . 1 . 2]" 1
1581 1 72 LEU QB 1 72 LEU QD . . 2.660 1.853 1.737 2.064 . 0 0 "[ . 1 . 2]" 1
1582 1 72 LEU QD 1 73 GLY H . . 4.830 4.377 3.782 4.666 . 0 0 "[ . 1 . 2]" 1
1583 1 75 GLU H 1 75 GLU QB . . 3.280 2.222 2.132 2.341 . 0 0 "[ . 1 . 2]" 1
1584 1 75 GLU HA 1 75 GLU QB . . 2.630 2.286 2.224 2.326 . 0 0 "[ . 1 . 2]" 1
1585 1 75 GLU HA 1 75 GLU QG . . 3.490 2.607 2.552 2.756 . 0 0 "[ . 1 . 2]" 1
1586 1 75 GLU QB 1 76 MET H . . 4.270 3.757 3.596 3.836 . 0 0 "[ . 1 . 2]" 1
1587 1 75 GLU QG 1 76 MET HA . . 5.090 3.754 3.578 3.917 . 0 0 "[ . 1 . 2]" 1
1588 1 75 GLU QG 1 77 LYS QG . . 4.240 3.687 3.186 3.982 . 0 0 "[ . 1 . 2]" 1
1589 1 76 MET QB 1 76 MET ME . . 3.610 2.191 1.921 2.476 . 0 0 "[ . 1 . 2]" 1
1590 1 76 MET QB 1 77 LYS H . . 4.110 3.488 3.285 3.756 . 0 0 "[ . 1 . 2]" 1
1591 1 76 MET QB 1 78 LEU QD . . 5.280 4.130 3.923 4.540 . 0 0 "[ . 1 . 2]" 1
1592 1 76 MET QG 1 78 LEU QD . . 3.610 3.155 2.310 3.604 . 0 0 "[ . 1 . 2]" 1
1593 1 76 MET ME 1 78 LEU QD . . 3.080 2.576 2.108 2.939 . 0 0 "[ . 1 . 2]" 1
1594 1 77 LYS H 1 77 LYS QG . . 4.120 3.445 3.060 3.726 . 0 0 "[ . 1 . 2]" 1
1595 1 77 LYS HA 1 77 LYS QG . . 3.490 2.235 2.068 2.535 . 0 0 "[ . 1 . 2]" 1
1596 1 77 LYS HA 1 77 LYS QD . . 4.930 3.741 2.172 4.033 . 0 0 "[ . 1 . 2]" 1
1597 1 77 LYS QG 1 79 TYR QE . . 4.660 3.671 3.207 4.206 . 0 0 "[ . 1 . 2]" 1
1598 1 77 LYS QD 1 79 TYR QE . . 3.660 2.581 2.028 3.543 . 0 0 "[ . 1 . 2]" 1
1599 1 78 LEU HA 1 78 LEU QD . . 3.340 2.579 2.166 2.804 . 0 0 "[ . 1 . 2]" 1
1600 1 78 LEU QB 1 78 LEU QD . . 2.850 1.789 1.724 1.866 . 0 0 "[ . 1 . 2]" 1
1601 1 78 LEU QB 1 79 TYR H . . 3.830 3.122 2.840 3.288 . 0 0 "[ . 1 . 2]" 1
1602 1 78 LEU QD 1 79 TYR H . . 4.250 3.205 2.708 3.577 . 0 0 "[ . 1 . 2]" 1
1603 1 80 PHE H 1 80 PHE QB . . 3.350 2.141 2.075 2.216 . 0 0 "[ . 1 . 2]" 1
1604 1 80 PHE QB 1 81 ALA H . . 3.840 3.652 3.470 3.843 0.003 3 0 "[ . 1 . 2]" 1
1605 1 82 GLN QB 1 83 THR MG . . 4.390 3.329 2.092 4.391 0.001 15 0 "[ . 1 . 2]" 1
1606 1 83 THR HA 1 84 LEU QB . . 5.340 4.445 4.019 4.803 . 0 0 "[ . 1 . 2]" 1
1607 1 83 THR HA 1 84 LEU QD . . 5.240 3.747 2.697 4.930 . 0 0 "[ . 1 . 2]" 1
1608 1 83 THR HB 1 84 LEU QD . . 4.690 4.100 2.503 4.626 . 0 0 "[ . 1 . 2]" 1
1609 1 84 LEU HA 1 84 LEU QD . . 3.360 2.964 1.943 3.386 0.026 8 0 "[ . 1 . 2]" 1
1610 1 84 LEU QB 1 84 LEU QD . . 2.840 1.819 1.746 2.048 . 0 0 "[ . 1 . 2]" 1
1611 1 86 ILE H 1 86 ILE QG . . 4.510 3.311 1.976 4.278 . 0 0 "[ . 1 . 2]" 1
1612 1 86 ILE HA 1 86 ILE QG . . 3.650 2.522 2.235 3.448 . 0 0 "[ . 1 . 2]" 1
1613 1 86 ILE QG 1 86 ILE MG . . 3.290 2.084 1.933 2.339 . 0 0 "[ . 1 . 2]" 1
1614 1 86 ILE MG 1 87 GLY QA . . 4.870 3.699 3.005 4.889 0.019 15 0 "[ . 1 . 2]" 1
1615 1 91 LEU HA 1 91 LEU QD . . 3.290 2.623 1.884 3.291 0.001 11 0 "[ . 1 . 2]" 1
1616 1 93 PRO HA 1 94 PRO QD . . 3.410 2.099 2.008 2.196 . 0 0 "[ . 1 . 2]" 1
1617 1 93 PRO QB 1 94 PRO QD . . 3.100 2.227 1.934 2.520 . 0 0 "[ . 1 . 2]" 1
1618 1 95 ASN HA 1 96 PRO QD . . 3.010 2.016 1.927 2.217 . 0 0 "[ . 1 . 2]" 1
1619 1 95 ASN QB 1 96 PRO QD . . 4.010 2.787 2.025 3.820 . 0 0 "[ . 1 . 2]" 1
1620 1 100 GLY QA 1 101 PRO QD . . 3.120 1.970 1.868 2.200 . 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 18
_Distance_constraint_stats_list.Viol_count 348
_Distance_constraint_stats_list.Viol_total 824.809
_Distance_constraint_stats_list.Viol_max 0.281
_Distance_constraint_stats_list.Viol_rms 0.0709
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1146
_Distance_constraint_stats_list.Viol_average_violations_only 0.1185
_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 9 ILE 5.544 0.202 15 0 "[ . 1 . 2]"
1 11 CYS 10.929 0.281 1 0 "[ . 1 . 2]"
1 39 THR 10.198 0.208 16 0 "[ . 1 . 2]"
1 41 GLN 7.973 0.210 3 0 "[ . 1 . 2]"
1 43 PHE 6.596 0.255 7 0 "[ . 1 . 2]"
1 48 ARG 6.596 0.255 7 0 "[ . 1 . 2]"
1 50 ARG 7.973 0.210 3 0 "[ . 1 . 2]"
1 52 ASN 10.198 0.208 16 0 "[ . 1 . 2]"
1 77 LYS 10.929 0.281 1 0 "[ . 1 . 2]"
1 79 TYR 5.544 0.202 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 39 THR H 1 52 ASN O . . 1.800 1.968 1.900 2.001 0.201 5 0 "[ . 1 . 2]" 2
2 1 39 THR N 1 52 ASN O . . 2.700 2.834 2.762 2.908 0.208 16 0 "[ . 1 . 2]" 2
3 1 39 THR O 1 52 ASN H . . 1.800 1.908 1.810 1.995 0.195 4 0 "[ . 1 . 2]" 2
4 1 39 THR O 1 52 ASN N . . 2.700 2.799 2.700 2.905 0.205 16 0 "[ . 1 . 2]" 2
5 1 41 GLN H 1 50 ARG O . . 1.800 1.955 1.856 2.001 0.201 12 0 "[ . 1 . 2]" 2
6 1 41 GLN N 1 50 ARG O . . 2.700 2.757 2.704 2.834 0.134 11 0 "[ . 1 . 2]" 2
7 1 41 GLN O 1 50 ARG H . . 1.800 1.883 1.817 1.993 0.193 4 0 "[ . 1 . 2]" 2
8 1 41 GLN O 1 50 ARG N . . 2.700 2.803 2.715 2.910 0.210 3 0 "[ . 1 . 2]" 2
9 1 43 PHE H 1 48 ARG O . . 1.800 1.941 1.851 2.000 0.200 7 0 "[ . 1 . 2]" 2
10 1 43 PHE N 1 48 ARG O . . 2.700 2.889 2.806 2.955 0.255 7 0 "[ . 1 . 2]" 2
11 1 9 ILE H 1 79 TYR O . . 1.800 1.817 1.798 1.885 0.085 19 0 "[ . 1 . 2]" 2
12 1 9 ILE N 1 79 TYR O . . 2.700 2.757 2.706 2.819 0.119 11 0 "[ . 1 . 2]" 2
13 1 9 ILE O 1 79 TYR H . . 1.800 1.910 1.800 2.002 0.202 15 0 "[ . 1 . 2]" 2
14 1 9 ILE O 1 79 TYR N . . 2.700 2.793 2.708 2.881 0.181 5 0 "[ . 1 . 2]" 2
15 1 11 CYS H 1 77 LYS O . . 1.800 1.864 1.800 2.002 0.202 4 0 "[ . 1 . 2]" 2
16 1 11 CYS N 1 77 LYS O . . 2.700 2.767 2.699 2.916 0.216 7 0 "[ . 1 . 2]" 2
17 1 11 CYS O 1 77 LYS H . . 1.800 1.979 1.892 2.001 0.201 6 0 "[ . 1 . 2]" 2
18 1 11 CYS O 1 77 LYS N . . 2.700 2.936 2.871 2.981 0.281 1 0 "[ . 1 . 2]" 2
stop_
save_
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