NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
428528 |
2i9h   |
6912 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2i9h
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 1515
_Distance_constraint_stats_list.Viol_count 2637
_Distance_constraint_stats_list.Viol_total 2409.633
_Distance_constraint_stats_list.Viol_max 0.441
_Distance_constraint_stats_list.Viol_rms 0.0202
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0457
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.204 0.029 10 0 "[ . 1 . 2]"
1 2 VAL 0.491 0.049 15 0 "[ . 1 . 2]"
1 3 THR 0.080 0.028 6 0 "[ . 1 . 2]"
1 4 GLN 2.263 0.118 15 0 "[ . 1 . 2]"
1 5 PHE 11.479 0.441 1 0 "[ . 1 . 2]"
1 6 LYS 0.648 0.156 6 0 "[ . 1 . 2]"
1 7 THR 0.755 0.199 17 0 "[ . 1 . 2]"
1 8 ALA 1.853 0.113 14 0 "[ . 1 . 2]"
1 9 SER 0.454 0.114 4 0 "[ . 1 . 2]"
1 10 GLU 5.653 0.118 7 0 "[ . 1 . 2]"
1 11 PHE 3.710 0.149 14 0 "[ . 1 . 2]"
1 12 ASP 0.027 0.005 7 0 "[ . 1 . 2]"
1 13 SER 0.068 0.023 5 0 "[ . 1 . 2]"
1 14 ALA 0.086 0.023 5 0 "[ . 1 . 2]"
1 15 ILE 2.978 0.193 9 0 "[ . 1 . 2]"
1 16 ALA 1.033 0.095 9 0 "[ . 1 . 2]"
1 17 GLN 0.948 0.054 18 0 "[ . 1 . 2]"
1 18 ASP 0.755 0.049 8 0 "[ . 1 . 2]"
1 19 LYS 7.775 0.156 9 0 "[ . 1 . 2]"
1 20 LEU 2.843 0.111 16 0 "[ . 1 . 2]"
1 21 VAL 0.769 0.040 15 0 "[ . 1 . 2]"
1 22 VAL 0.037 0.017 10 0 "[ . 1 . 2]"
1 23 VAL 0.351 0.030 17 0 "[ . 1 . 2]"
1 24 ASP 0.680 0.212 11 0 "[ . 1 . 2]"
1 25 PHE 10.585 0.167 17 0 "[ . 1 . 2]"
1 26 TYR 7.177 0.230 17 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 2.409 0.115 17 0 "[ . 1 . 2]"
1 29 TRP 1.873 0.098 4 0 "[ . 1 . 2]"
1 30 CYS 2.152 0.098 4 0 "[ . 1 . 2]"
1 33 CYS 1.175 0.083 18 0 "[ . 1 . 2]"
1 34 LYS 0.810 0.067 6 0 "[ . 1 . 2]"
1 35 MET 0.901 0.057 10 0 "[ . 1 . 2]"
1 36 ILE 4.329 0.106 14 0 "[ . 1 . 2]"
1 37 ALA 1.073 0.082 5 0 "[ . 1 . 2]"
1 38 PRO 2.509 0.106 14 0 "[ . 1 . 2]"
1 39 MET 3.692 0.173 8 0 "[ . 1 . 2]"
1 40 ILE 3.842 0.161 17 0 "[ . 1 . 2]"
1 41 GLU 1.910 0.066 6 0 "[ . 1 . 2]"
1 42 LYS 1.367 0.134 10 0 "[ . 1 . 2]"
1 43 PHE 3.043 0.071 14 0 "[ . 1 . 2]"
1 44 SER 1.741 0.145 7 0 "[ . 1 . 2]"
1 45 GLU 0.512 0.043 11 0 "[ . 1 . 2]"
1 46 GLN 1.369 0.106 11 0 "[ . 1 . 2]"
1 47 TYR 2.354 0.083 9 0 "[ . 1 . 2]"
1 48 PRO 4.601 0.133 12 0 "[ . 1 . 2]"
1 49 GLN 2.848 0.133 12 0 "[ . 1 . 2]"
1 50 ALA 0.087 0.037 2 0 "[ . 1 . 2]"
1 51 ASP 0.185 0.030 13 0 "[ . 1 . 2]"
1 52 PHE 0.320 0.025 20 0 "[ . 1 . 2]"
1 53 TYR 0.824 0.049 15 0 "[ . 1 . 2]"
1 54 LYS 4.583 0.230 17 0 "[ . 1 . 2]"
1 55 LEU 4.151 0.099 10 0 "[ . 1 . 2]"
1 56 ASP 1.993 0.150 18 0 "[ . 1 . 2]"
1 57 VAL 3.890 0.115 17 0 "[ . 1 . 2]"
1 58 ASP 0.228 0.069 9 0 "[ . 1 . 2]"
1 59 GLU 0.986 0.068 1 0 "[ . 1 . 2]"
1 60 LEU 1.074 0.320 9 0 "[ . 1 . 2]"
1 61 GLY 0.378 0.099 9 0 "[ . 1 . 2]"
1 62 ASP 3.944 0.190 1 0 "[ . 1 . 2]"
1 63 VAL 0.736 0.069 1 0 "[ . 1 . 2]"
1 64 ALA 3.962 0.137 4 0 "[ . 1 . 2]"
1 65 GLN 0.052 0.025 1 0 "[ . 1 . 2]"
1 66 LYS 1.591 0.122 12 0 "[ . 1 . 2]"
1 67 ASN 3.037 0.157 18 0 "[ . 1 . 2]"
1 68 GLU 0.253 0.028 13 0 "[ . 1 . 2]"
1 69 VAL 4.002 0.110 19 0 "[ . 1 . 2]"
1 70 SER 1.279 0.191 1 0 "[ . 1 . 2]"
1 71 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 MET 1.482 0.103 19 0 "[ . 1 . 2]"
1 73 PRO 4.258 0.121 13 0 "[ . 1 . 2]"
1 74 THR 1.218 0.081 1 0 "[ . 1 . 2]"
1 75 LEU 1.007 0.063 16 0 "[ . 1 . 2]"
1 76 LEU 1.595 0.066 5 0 "[ . 1 . 2]"
1 77 LEU 0.380 0.077 5 0 "[ . 1 . 2]"
1 78 PHE 1.804 0.086 7 0 "[ . 1 . 2]"
1 79 LYS 0.912 0.061 18 0 "[ . 1 . 2]"
1 80 ASN 1.687 0.110 9 0 "[ . 1 . 2]"
1 81 GLY 3.196 0.193 9 0 "[ . 1 . 2]"
1 82 LYS 1.907 0.109 2 0 "[ . 1 . 2]"
1 83 GLU 2.691 0.109 2 0 "[ . 1 . 2]"
1 84 VAL 3.066 0.278 5 0 "[ . 1 . 2]"
1 85 ALA 0.724 0.278 5 0 "[ . 1 . 2]"
1 86 LYS 0.946 0.179 5 0 "[ . 1 . 2]"
1 87 VAL 0.965 0.179 5 0 "[ . 1 . 2]"
1 88 VAL 1.284 0.088 13 0 "[ . 1 . 2]"
1 89 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ALA 3.191 0.107 9 0 "[ . 1 . 2]"
1 91 ASN 1.602 0.154 19 0 "[ . 1 . 2]"
1 92 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ALA 0.029 0.010 17 0 "[ . 1 . 2]"
1 94 ALA 2.609 0.174 16 0 "[ . 1 . 2]"
1 95 ILE 2.375 0.107 9 0 "[ . 1 . 2]"
1 96 LYS 4.262 0.192 18 0 "[ . 1 . 2]"
1 97 GLN 0.844 0.063 9 0 "[ . 1 . 2]"
1 98 ALA 1.350 0.072 16 0 "[ . 1 . 2]"
1 99 ILE 0.896 0.041 18 0 "[ . 1 . 2]"
1 100 ALA 1.125 0.082 20 0 "[ . 1 . 2]"
1 101 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ASN 4.595 0.163 2 0 "[ . 1 . 2]"
1 103 ALA 0.124 0.020 2 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 15 ILE MD 1 16 ALA H 5.220 . 5.500 3.612 3.536 4.642 . 0 0 "[ . 1 . 2]" 1
2 1 15 ILE MG 1 16 ALA H 4.770 . 5.500 3.882 3.840 4.244 . 0 0 "[ . 1 . 2]" 1
3 1 15 ILE H 1 15 ILE MD 4.540 . 5.500 3.579 3.550 3.609 . 0 0 "[ . 1 . 2]" 1
4 1 17 GLN H 1 18 ASP H 4.350 . 5.500 3.514 3.427 3.560 . 0 0 "[ . 1 . 2]" 1
5 1 18 ASP H 1 19 LYS H 4.230 . 5.500 2.159 2.091 2.278 . 0 0 "[ . 1 . 2]" 1
6 1 11 PHE HA 1 14 ALA H 3.860 . 5.500 3.203 2.916 3.542 . 0 0 "[ . 1 . 2]" 1
7 1 11 PHE H 1 13 SER H 3.850 . 5.500 4.516 3.922 5.045 . 0 0 "[ . 1 . 2]" 1
8 1 17 GLN H 1 81 GLY H 3.840 . 5.500 2.497 1.997 2.787 . 0 0 "[ . 1 . 2]" 1
9 1 16 ALA MB 1 17 GLN H 3.780 . 5.500 3.504 3.445 3.643 . 0 0 "[ . 1 . 2]" 1
10 1 9 SER HA 1 10 GLU H 3.760 . 5.500 3.423 3.389 3.447 . 0 0 "[ . 1 . 2]" 1
11 1 15 ILE HA 1 17 GLN H 3.690 . 5.500 5.012 4.354 5.191 . 0 0 "[ . 1 . 2]" 1
12 1 14 ALA HA 1 15 ILE H 3.670 . 5.500 3.547 3.497 3.572 . 0 0 "[ . 1 . 2]" 1
13 1 17 GLN QB 1 18 ASP H 3.650 . 5.500 3.763 3.724 3.818 . 0 0 "[ . 1 . 2]" 1
14 1 14 ALA MB 1 15 ILE H 3.640 . 5.500 2.478 1.953 2.804 . 0 0 "[ . 1 . 2]" 1
15 1 15 ILE HA 1 16 ALA H 3.620 . 5.500 3.548 3.336 3.566 . 0 0 "[ . 1 . 2]" 1
16 1 15 ILE H 1 15 ILE MG . . 3.400 2.431 2.153 2.622 . 0 0 "[ . 1 . 2]" 1
17 1 14 ALA H 1 16 ALA H 3.460 . 5.500 4.289 3.917 4.486 . 0 0 "[ . 1 . 2]" 1
18 1 10 GLU HA 1 11 PHE H 3.320 . 3.400 3.493 3.454 3.518 0.118 7 0 "[ . 1 . 2]" 1
19 1 14 ALA H 1 15 ILE H 3.170 . 3.400 2.859 2.461 3.120 . 0 0 "[ . 1 . 2]" 1
20 1 15 ILE QG 1 16 ALA H 3.170 . 3.400 1.906 1.824 2.985 . 0 0 "[ . 1 . 2]" 1
21 1 10 GLU QB 1 11 PHE H 3.160 . 3.400 2.451 1.961 2.783 . 0 0 "[ . 1 . 2]" 1
22 1 14 ALA H 1 14 ALA MB 3.120 . 3.400 2.075 2.021 2.232 . 0 0 "[ . 1 . 2]" 1
23 1 16 ALA H 1 16 ALA MB 3.120 . 3.400 2.154 2.044 2.263 . 0 0 "[ . 1 . 2]" 1
24 1 15 ILE H 1 16 ALA H 3.110 . 3.400 2.592 2.394 2.892 . 0 0 "[ . 1 . 2]" 1
25 1 16 ALA H 1 17 GLN H 3.100 . 5.500 4.247 3.935 4.328 . 0 0 "[ . 1 . 2]" 1
26 1 18 ASP H 1 80 ASN HA 3.070 . 3.400 2.488 2.292 2.726 . 0 0 "[ . 1 . 2]" 1
27 1 10 GLU H 1 11 PHE H 3.040 . 3.400 2.353 2.230 2.672 . 0 0 "[ . 1 . 2]" 1
28 1 11 PHE H 1 12 ASP H 3.020 . 3.400 2.534 2.290 2.747 . 0 0 "[ . 1 . 2]" 1
29 1 11 PHE H 1 11 PHE QB 2.990 . 3.400 2.261 2.214 2.330 . 0 0 "[ . 1 . 2]" 1
30 1 13 SER QB 1 14 ALA H 2.980 . 3.400 3.011 2.485 3.423 0.023 5 0 "[ . 1 . 2]" 1
31 1 12 ASP H 1 12 ASP HA 2.960 . 3.400 2.791 2.737 2.909 . 0 0 "[ . 1 . 2]" 1
32 1 15 ILE H 1 15 ILE QG 2.930 . 3.400 1.972 1.924 2.098 . 0 0 "[ . 1 . 2]" 1
33 1 16 ALA H 1 16 ALA HA 2.920 . 3.400 2.714 2.690 2.913 . 0 0 "[ . 1 . 2]" 1
34 1 14 ALA H 1 14 ALA HA 2.910 . 3.400 2.778 2.727 2.886 . 0 0 "[ . 1 . 2]" 1
35 1 12 ASP H 1 12 ASP QB 2.890 . 3.400 2.260 2.249 2.312 . 0 0 "[ . 1 . 2]" 1
36 1 13 SER H 1 13 SER HA 2.890 . 3.400 2.862 2.780 2.910 . 0 0 "[ . 1 . 2]" 1
37 1 17 GLN H 1 17 GLN QB 2.880 . 3.400 3.238 3.194 3.261 . 0 0 "[ . 1 . 2]" 1
38 1 8 ALA HA 1 10 GLU H 2.880 . 3.400 3.479 3.458 3.513 0.113 14 0 "[ . 1 . 2]" 1
39 1 17 GLN H 1 17 GLN QG 2.860 . 3.400 2.557 2.459 2.649 . 0 0 "[ . 1 . 2]" 1
40 1 12 ASP HB3 1 13 SER H 2.830 . 3.400 2.516 2.025 3.051 . 0 0 "[ . 1 . 2]" 1
41 1 10 GLU H 1 10 GLU HA 2.800 . 2.800 2.886 2.878 2.891 0.091 2 0 "[ . 1 . 2]" 1
42 1 11 PHE H 1 11 PHE HA 2.680 . 2.800 2.842 2.767 2.892 0.092 8 0 "[ . 1 . 2]" 1
43 1 10 GLU H 1 10 GLU QB 2.640 . 2.800 2.394 2.285 2.434 . 0 0 "[ . 1 . 2]" 1
44 1 13 SER H 1 13 SER QB 2.600 . 2.800 2.412 2.257 2.700 . 0 0 "[ . 1 . 2]" 1
45 1 18 ASP H 1 18 ASP HA 2.400 . 2.800 2.827 2.809 2.849 0.049 8 0 "[ . 1 . 2]" 1
46 1 12 ASP HA 1 15 ILE MD 4.900 . 5.500 3.033 2.289 3.458 . 0 0 "[ . 1 . 2]" 1
47 1 11 PHE HA 1 14 ALA MB 4.680 . 5.500 2.113 1.888 2.676 . 0 0 "[ . 1 . 2]" 1
48 1 11 PHE HA 1 15 ILE H 3.910 . 5.500 4.450 4.241 4.709 . 0 0 "[ . 1 . 2]" 1
49 1 13 SER HA 1 15 ILE H 3.860 . 5.500 4.381 3.779 5.104 . 0 0 "[ . 1 . 2]" 1
50 1 17 GLN QB 1 17 GLN HE21 3.850 . 5.500 3.364 1.822 3.838 . 0 0 "[ . 1 . 2]" 1
51 1 11 PHE QB 1 12 ASP H 3.810 . 5.500 2.913 2.496 3.652 . 0 0 "[ . 1 . 2]" 1
52 1 15 ILE H 1 15 ILE HB 3.710 . 5.500 3.645 3.611 3.673 . 0 0 "[ . 1 . 2]" 1
53 1 13 SER HA 1 16 ALA MB 3.700 . 5.500 2.337 2.152 2.545 . 0 0 "[ . 1 . 2]" 1
54 1 11 PHE HA 1 12 ASP H 3.690 . 5.500 3.441 3.106 3.536 . 0 0 "[ . 1 . 2]" 1
55 1 16 ALA HA 1 17 GLN H 3.570 . 5.500 2.192 2.157 2.307 . 0 0 "[ . 1 . 2]" 1
56 1 10 GLU HA 1 10 GLU QG 3.560 . 5.500 2.606 2.407 2.979 . 0 0 "[ . 1 . 2]" 1
57 1 17 GLN H 1 17 GLN HG3 3.550 . 5.500 2.965 2.654 4.103 . 0 0 "[ . 1 . 2]" 1
58 1 10 GLU H 1 10 GLU QG 3.510 . 5.500 2.716 2.437 4.035 . 0 0 "[ . 1 . 2]" 1
59 1 17 GLN HE21 1 17 GLN HG3 3.330 . 3.400 2.911 2.113 3.317 . 0 0 "[ . 1 . 2]" 1
60 1 17 GLN HA 1 18 ASP H 3.320 . 3.400 2.270 2.231 2.327 . 0 0 "[ . 1 . 2]" 1
61 1 12 ASP HA 1 15 ILE QG 3.260 . 3.400 3.031 2.387 3.290 . 0 0 "[ . 1 . 2]" 1
62 1 12 ASP HB2 1 15 ILE QG 3.200 . 5.500 5.247 4.575 5.501 0.001 13 0 "[ . 1 . 2]" 1
63 1 9 SER HA 1 12 ASP HB2 3.140 . 3.400 3.313 3.003 3.405 0.005 7 0 "[ . 1 . 2]" 1
64 1 11 PHE HA 1 11 PHE QB . . 2.800 2.406 2.393 2.421 . 0 0 "[ . 1 . 2]" 1
65 1 13 SER HA 1 13 SER QB . . 2.800 2.334 2.189 2.368 . 0 0 "[ . 1 . 2]" 1
66 1 15 ILE HB 1 15 ILE QG . . 2.800 2.338 2.334 2.349 . 0 0 "[ . 1 . 2]" 1
67 1 17 GLN HA 1 17 GLN HG2 2.710 . 2.800 2.594 2.438 2.854 0.054 18 0 "[ . 1 . 2]" 1
68 1 15 ILE HA 1 15 ILE HB 2.580 . 2.800 2.447 2.439 2.455 . 0 0 "[ . 1 . 2]" 1
69 1 10 GLU HA 1 10 GLU QB 2.540 . 2.800 2.368 2.351 2.382 . 0 0 "[ . 1 . 2]" 1
70 1 40 ILE MG 1 41 GLU H 4.770 . 5.500 3.561 3.509 3.628 . 0 0 "[ . 1 . 2]" 1
71 1 43 PHE H 1 46 GLN H 4.610 . 5.500 5.339 5.099 5.448 . 0 0 "[ . 1 . 2]" 1
72 1 43 PHE H 1 45 GLU H 4.350 . 5.500 4.068 3.983 4.202 . 0 0 "[ . 1 . 2]" 1
73 1 46 GLN H 1 48 PRO HD2 4.270 . 5.500 4.608 4.280 4.736 . 0 0 "[ . 1 . 2]" 1
74 1 41 GLU H 1 43 PHE H 4.240 . 5.500 3.956 3.855 4.025 . 0 0 "[ . 1 . 2]" 1
75 1 36 ILE H 1 38 PRO HD2 4.190 . 5.500 3.421 3.210 3.550 . 0 0 "[ . 1 . 2]" 1
76 1 35 MET HG3 1 36 ILE H 4.130 . 5.500 4.912 4.509 5.557 0.057 12 0 "[ . 1 . 2]" 1
77 1 42 LYS HA 1 44 SER H 4.090 . 5.500 4.064 3.837 4.253 . 0 0 "[ . 1 . 2]" 1
78 1 42 LYS QG 1 43 PHE H 4.080 . 5.500 4.245 4.153 4.317 . 0 0 "[ . 1 . 2]" 1
79 1 36 ILE MG 1 37 ALA H 4.060 . 5.500 3.683 3.209 3.919 . 0 0 "[ . 1 . 2]" 1
80 1 47 TYR H 1 48 PRO HD2 4.000 . 5.500 3.361 3.200 3.427 . 0 0 "[ . 1 . 2]" 1
81 1 43 PHE HA 1 47 TYR H 4.000 . 5.500 4.481 4.253 4.621 . 0 0 "[ . 1 . 2]" 1
82 1 38 PRO HA 1 42 LYS H 3.970 . 5.500 4.575 4.314 4.848 . 0 0 "[ . 1 . 2]" 1
83 1 35 MET H 1 35 MET HG3 3.910 . 5.500 3.432 2.219 4.583 . 0 0 "[ . 1 . 2]" 1
84 1 41 GLU HA 1 44 SER H 3.880 . 5.500 3.318 3.087 3.597 . 0 0 "[ . 1 . 2]" 1
85 1 36 ILE H 1 36 ILE MG 3.850 . 5.500 3.729 3.680 3.759 . 0 0 "[ . 1 . 2]" 1
86 1 44 SER HA 1 45 GLU H 3.730 . 5.500 3.360 3.308 3.415 . 0 0 "[ . 1 . 2]" 1
87 1 44 SER HA 1 46 GLN H 3.730 . 5.500 4.045 3.927 4.124 . 0 0 "[ . 1 . 2]" 1
88 1 37 ALA H 1 40 ILE H 3.720 . 5.500 4.737 4.589 4.886 . 0 0 "[ . 1 . 2]" 1
89 1 36 ILE QG 1 39 MET H 3.700 . 5.500 5.208 5.070 5.558 0.058 9 0 "[ . 1 . 2]" 1
90 1 37 ALA HA 1 41 GLU H 3.700 . 5.500 4.607 4.402 4.746 . 0 0 "[ . 1 . 2]" 1
91 1 41 GLU HA 1 42 LYS H 3.670 . 5.500 3.511 3.466 3.548 . 0 0 "[ . 1 . 2]" 1
92 1 42 LYS HA 1 43 PHE H 3.630 . 5.500 3.456 3.410 3.510 . 0 0 "[ . 1 . 2]" 1
93 1 45 GLU H 1 47 TYR H 3.610 . 5.500 3.802 3.661 3.990 . 0 0 "[ . 1 . 2]" 1
94 1 33 CYS HA 1 36 ILE H 3.600 . 5.500 4.043 3.799 4.369 . 0 0 "[ . 1 . 2]" 1
95 1 44 SER H 1 46 GLN H 3.590 . 5.500 4.282 4.084 4.347 . 0 0 "[ . 1 . 2]" 1
96 1 36 ILE HA 1 39 MET H 3.580 . 5.500 3.193 3.109 3.384 . 0 0 "[ . 1 . 2]" 1
97 1 46 GLN HA 1 47 TYR H 3.550 . 5.500 3.500 3.475 3.540 . 0 0 "[ . 1 . 2]" 1
98 1 38 PRO HA 1 41 GLU H 3.550 . 5.500 3.555 3.458 3.673 . 0 0 "[ . 1 . 2]" 1
99 1 40 ILE HA 1 43 PHE H 3.530 . 5.500 3.758 3.666 3.846 . 0 0 "[ . 1 . 2]" 1
100 1 36 ILE HA 1 37 ALA H 3.520 . 5.500 3.469 3.390 3.554 . 0 0 "[ . 1 . 2]" 1
101 1 42 LYS H 1 44 SER H 3.520 . 5.500 4.111 4.042 4.189 . 0 0 "[ . 1 . 2]" 1
102 1 44 SER H 1 47 TYR H 3.490 . 5.500 5.002 4.915 5.053 . 0 0 "[ . 1 . 2]" 1
103 1 39 MET H 1 41 GLU H 3.480 . 5.500 3.828 3.765 3.861 . 0 0 "[ . 1 . 2]" 1
104 1 46 GLN H 1 47 TYR HD2 3.480 . 5.500 4.396 4.030 4.659 . 0 0 "[ . 1 . 2]" 1
105 1 43 PHE HA 1 46 GLN H 3.390 . 3.400 3.317 3.095 3.404 0.004 14 0 "[ . 1 . 2]" 1
106 1 44 SER H 1 45 GLU H 3.380 . 3.400 2.618 2.536 2.700 . 0 0 "[ . 1 . 2]" 1
107 1 43 PHE H 1 44 SER H 3.320 . 3.400 2.345 2.269 2.501 . 0 0 "[ . 1 . 2]" 1
108 1 43 PHE H 1 43 PHE HD1 3.310 . 5.500 1.973 1.906 2.029 . 0 0 "[ . 1 . 2]" 1
109 1 36 ILE HB 1 37 ALA H 3.310 . 5.500 2.985 2.468 3.306 . 0 0 "[ . 1 . 2]" 1
110 1 44 SER H 1 44 SER HB3 3.250 . 3.400 2.685 2.477 3.545 0.145 7 0 "[ . 1 . 2]" 1
111 1 43 PHE HA 1 44 SER H 3.250 . 3.400 3.428 3.406 3.456 0.056 11 0 "[ . 1 . 2]" 1
112 1 35 MET QB 1 36 ILE H 3.230 . 3.400 3.379 3.133 3.457 0.057 10 0 "[ . 1 . 2]" 1
113 1 38 PRO HD2 1 39 MET H 3.230 . 3.400 2.484 2.376 2.725 . 0 0 "[ . 1 . 2]" 1
114 1 42 LYS H 1 43 PHE H 3.220 . 3.400 2.644 2.453 2.744 . 0 0 "[ . 1 . 2]" 1
115 1 47 TYR H 1 47 TYR HD2 3.210 . 3.400 3.210 2.936 3.266 . 0 0 "[ . 1 . 2]" 1
116 1 46 GLN QB 1 47 TYR H 3.190 . 3.400 2.797 2.638 2.900 . 0 0 "[ . 1 . 2]" 1
117 1 46 GLN H 1 46 GLN QG 3.160 . 3.400 2.450 2.134 2.567 . 0 0 "[ . 1 . 2]" 1
118 1 42 LYS H 1 42 LYS HG3 3.150 . 3.400 2.404 2.203 3.462 0.062 10 0 "[ . 1 . 2]" 1
119 1 37 ALA H 1 37 ALA MB 3.150 . 3.400 2.134 2.029 2.234 . 0 0 "[ . 1 . 2]" 1
120 1 36 ILE H 1 36 ILE HB 3.080 . 3.400 2.421 2.299 2.522 . 0 0 "[ . 1 . 2]" 1
121 1 36 ILE H 1 36 ILE HG13 3.060 . 3.400 2.531 2.088 3.453 0.053 1 0 "[ . 1 . 2]" 1
122 1 39 MET H 1 39 MET HB2 3.040 . 3.400 2.445 2.193 2.626 . 0 0 "[ . 1 . 2]" 1
123 1 39 MET H 1 39 MET HB3 2.930 . 3.400 2.946 2.379 3.510 0.110 1 0 "[ . 1 . 2]" 1
124 1 40 ILE H 1 41 GLU H 3.040 . 3.400 2.775 2.727 2.838 . 0 0 "[ . 1 . 2]" 1
125 1 43 PHE H 1 43 PHE HB2 3.030 . 3.400 2.411 2.374 2.435 . 0 0 "[ . 1 . 2]" 1
126 1 47 TYR H 1 47 TYR HB2 3.020 . 3.400 2.648 2.609 2.695 . 0 0 "[ . 1 . 2]" 1
127 1 42 LYS HB2 1 43 PHE H 3.000 . 3.400 3.074 2.855 3.261 . 0 0 "[ . 1 . 2]" 1
128 1 45 GLU H 1 46 GLN H . . 2.800 2.274 2.220 2.334 . 0 0 "[ . 1 . 2]" 1
129 1 39 MET H 1 40 ILE H 2.940 . 3.400 2.684 2.506 2.832 . 0 0 "[ . 1 . 2]" 1
130 1 35 MET H 1 35 MET QB 2.910 . 3.400 2.362 2.234 2.479 . 0 0 "[ . 1 . 2]" 1
131 1 37 ALA H 1 38 PRO HD2 2.890 . 3.400 2.378 2.281 2.511 . 0 0 "[ . 1 . 2]" 1
132 1 37 ALA H 1 37 ALA HA 2.890 . 3.400 2.744 2.703 2.786 . 0 0 "[ . 1 . 2]" 1
133 1 42 LYS H 1 42 LYS HA 2.850 . 3.400 2.815 2.770 2.884 . 0 0 "[ . 1 . 2]" 1
134 1 40 ILE H 1 40 ILE HB 2.820 . 3.400 2.516 2.470 2.601 . 0 0 "[ . 1 . 2]" 1
135 1 41 GLU H 1 41 GLU QB 2.710 . 2.800 2.246 2.231 2.259 . 0 0 "[ . 1 . 2]" 1
136 1 40 ILE H 1 40 ILE QG 2.680 . 2.800 2.104 2.012 2.156 . 0 0 "[ . 1 . 2]" 1
137 1 46 GLN H 1 46 GLN QB 2.660 . 2.800 2.421 2.369 2.545 . 0 0 "[ . 1 . 2]" 1
138 1 42 LYS H 1 42 LYS HB2 2.590 . 2.800 2.451 2.410 2.498 . 0 0 "[ . 1 . 2]" 1
139 1 45 GLU H 1 45 GLU QB 2.570 . 2.800 2.387 2.280 2.674 . 0 0 "[ . 1 . 2]" 1
140 1 40 ILE MD 1 41 GLU H 4.520 . 5.500 4.882 4.755 4.952 . 0 0 "[ . 1 . 2]" 1
141 1 37 ALA HA 1 40 ILE MD 4.030 . 5.500 2.757 2.517 2.997 . 0 0 "[ . 1 . 2]" 1
142 1 48 PRO HB2 1 48 PRO HD2 3.890 . 5.500 3.279 3.171 3.980 . 0 0 "[ . 1 . 2]" 1
143 1 47 TYR H 1 48 PRO HD3 3.790 . 5.500 2.396 2.301 2.702 . 0 0 "[ . 1 . 2]" 1
144 1 44 SER HB3 1 48 PRO HA 3.620 . 5.500 5.136 3.618 5.505 0.005 20 0 "[ . 1 . 2]" 1
145 1 35 MET HA 1 35 MET HG3 3.720 . 5.500 3.087 2.467 3.779 . 0 0 "[ . 1 . 2]" 1
146 1 74 THR HB 1 76 LEU HG 3.720 . 5.500 3.966 3.832 4.116 . 0 0 "[ . 1 . 2]" 1
147 1 25 PHE HD1 1 76 LEU HG 3.670 . 5.500 2.885 2.535 3.193 . 0 0 "[ . 1 . 2]" 1
148 1 36 ILE HA 1 39 MET HB3 3.660 . 5.500 3.200 2.232 4.348 . 0 0 "[ . 1 . 2]" 1
149 1 47 TYR H 1 47 TYR HB3 3.640 . 5.500 3.779 3.761 3.800 . 0 0 "[ . 1 . 2]" 1
150 1 2 VAL HB 1 40 ILE MG 3.640 . 5.500 3.473 2.815 4.342 . 0 0 "[ . 1 . 2]" 1
151 1 46 GLN QG 1 48 PRO HD2 3.630 . 5.500 5.562 5.533 5.606 0.106 11 0 "[ . 1 . 2]" 1
152 1 44 SER H 1 44 SER HB2 3.620 . 5.500 2.894 2.420 3.631 . 0 0 "[ . 1 . 2]" 1
153 1 47 TYR HB3 1 49 GLN QG 3.590 . 5.500 5.296 5.040 5.559 0.059 15 0 "[ . 1 . 2]" 1
154 1 37 ALA MB 1 38 PRO HD2 3.570 . 5.500 3.002 2.801 3.135 . 0 0 "[ . 1 . 2]" 1
155 1 47 TYR HA 1 47 TYR HD1 . . 3.400 2.628 2.570 2.863 . 0 0 "[ . 1 . 2]" 1
156 1 47 TYR HB3 1 100 ALA HA 3.550 . 5.500 5.316 4.841 5.506 0.006 18 0 "[ . 1 . 2]" 1
157 1 33 CYS HA 1 36 ILE MG 3.540 . 5.500 4.770 4.103 5.407 . 0 0 "[ . 1 . 2]" 1
158 1 36 ILE HA 1 36 ILE MG 3.530 . 5.500 2.356 2.238 2.514 . 0 0 "[ . 1 . 2]" 1
159 1 41 GLU H 1 41 GLU QG 3.520 . 5.500 3.966 3.952 4.047 . 0 0 "[ . 1 . 2]" 1
160 1 36 ILE HA 1 36 ILE MD 3.500 . 5.500 3.624 2.027 3.862 . 0 0 "[ . 1 . 2]" 1
161 1 37 ALA H 1 38 PRO HD3 3.500 . 5.500 2.961 2.777 3.192 . 0 0 "[ . 1 . 2]" 1
162 1 43 PHE HA 1 46 GLN QB . . 3.400 3.362 3.091 3.420 0.020 14 0 "[ . 1 . 2]" 1
163 1 36 ILE HA 1 36 ILE HG13 3.450 . 5.500 2.976 2.367 3.762 . 0 0 "[ . 1 . 2]" 1
164 1 43 PHE HB3 1 43 PHE HD2 3.430 . 5.500 2.285 2.283 2.290 . 0 0 "[ . 1 . 2]" 1
165 1 35 MET HA 1 35 MET HG2 3.410 . 5.500 2.991 2.492 3.805 . 0 0 "[ . 1 . 2]" 1
166 1 36 ILE HA 1 36 ILE HG12 3.410 . 5.500 2.623 2.373 3.636 . 0 0 "[ . 1 . 2]" 1
167 1 36 ILE HB 1 36 ILE MD 3.330 . 3.400 2.427 2.247 3.214 . 0 0 "[ . 1 . 2]" 1
168 1 40 ILE HA 1 40 ILE QG 3.330 . 3.400 2.350 2.310 2.412 . 0 0 "[ . 1 . 2]" 1
169 1 39 MET HA 1 42 LYS HB2 . . 2.800 2.768 2.524 2.837 0.037 18 0 "[ . 1 . 2]" 1
170 1 44 SER HA 1 47 TYR H 3.260 . 3.400 3.414 3.321 3.439 0.039 7 0 "[ . 1 . 2]" 1
171 1 40 ILE HA 1 43 PHE HD1 3.220 . 3.400 3.390 3.134 3.418 0.018 2 0 "[ . 1 . 2]" 1
172 1 42 LYS HA 1 42 LYS HG2 3.210 . 3.400 2.571 2.445 2.970 . 0 0 "[ . 1 . 2]" 1
173 1 40 ILE HA 1 43 PHE HB2 3.150 . 3.400 3.357 3.034 3.424 0.024 9 0 "[ . 1 . 2]" 1
174 1 41 GLU HA 1 41 GLU QG 3.150 . 3.400 2.487 2.464 2.502 . 0 0 "[ . 1 . 2]" 1
175 1 37 ALA HA 1 40 ILE HB . . 2.800 2.854 2.840 2.882 0.082 5 0 "[ . 1 . 2]" 1
176 1 37 ALA HA 1 38 PRO HD2 3.140 . 5.500 3.848 3.810 3.887 . 0 0 "[ . 1 . 2]" 1
177 1 43 PHE HA 1 43 PHE HD1 3.070 . 3.400 3.371 3.265 3.442 0.042 2 0 "[ . 1 . 2]" 1
178 1 42 LYS QB 1 42 LYS QE 3.070 . 3.400 2.752 1.906 3.534 0.134 10 0 "[ . 1 . 2]" 1
179 1 37 ALA MB 1 38 PRO HD3 3.020 . 3.400 2.123 1.964 2.424 . 0 0 "[ . 1 . 2]" 1
180 1 39 MET HA 1 42 LYS HG3 2.970 . 3.400 2.762 2.552 3.287 . 0 0 "[ . 1 . 2]" 1
181 1 38 PRO HA 1 41 GLU QB 2.930 . 3.400 2.708 2.677 2.741 . 0 0 "[ . 1 . 2]" 1
182 1 35 MET HA 1 38 PRO HD3 2.910 . 3.400 3.417 3.375 3.437 0.037 13 0 "[ . 1 . 2]" 1
183 1 47 TYR HA 1 48 PRO HD2 2.910 . 3.400 2.542 2.255 2.639 . 0 0 "[ . 1 . 2]" 1
184 1 41 GLU HA 1 41 GLU QB . . 2.800 2.343 2.331 2.382 . 0 0 "[ . 1 . 2]" 1
185 1 46 GLN HA 1 46 GLN QG 2.870 . 3.400 2.432 2.351 2.944 . 0 0 "[ . 1 . 2]" 1
186 1 36 ILE HG12 1 36 ILE MG 2.830 . 3.400 2.423 2.146 3.183 . 0 0 "[ . 1 . 2]" 1
187 1 36 ILE HB 1 36 ILE HG13 2.830 . 3.400 2.509 2.422 3.019 . 0 0 "[ . 1 . 2]" 1
188 1 35 MET HA 1 35 MET QB . . 2.800 2.364 2.342 2.411 . 0 0 "[ . 1 . 2]" 1
189 1 40 ILE HB 1 40 ILE QG 2.770 . 2.800 2.343 2.326 2.357 . 0 0 "[ . 1 . 2]" 1
190 1 42 LYS HA 1 42 LYS HB3 2.750 . 2.800 2.498 2.467 2.527 . 0 0 "[ . 1 . 2]" 1
191 1 46 GLN HA 1 46 GLN QB 2.740 . 2.800 2.367 2.307 2.392 . 0 0 "[ . 1 . 2]" 1
192 1 38 PRO HD3 1 38 PRO HG3 2.680 . 2.800 2.287 2.281 2.297 . 0 0 "[ . 1 . 2]" 1
193 1 45 GLU HA 1 45 GLU QB 2.620 . 2.800 2.351 2.179 2.421 . 0 0 "[ . 1 . 2]" 1
194 1 38 PRO HA 1 41 GLU HB3 2.610 . 2.800 2.838 2.818 2.856 0.056 15 0 "[ . 1 . 2]" 1
195 1 38 PRO HA 1 38 PRO HB3 2.570 . 2.800 2.294 2.277 2.300 . 0 0 "[ . 1 . 2]" 1
196 1 35 MET QB 1 35 MET HG2 2.360 . 2.800 2.309 2.154 2.442 . 0 0 "[ . 1 . 2]" 1
197 1 39 MET HB2 1 39 MET HG2 2.310 . 2.800 2.796 2.445 2.973 0.173 8 0 "[ . 1 . 2]" 1
198 1 60 LEU MD1 1 61 GLY H 4.690 . 5.500 4.310 3.446 4.551 . 0 0 "[ . 1 . 2]" 1
199 1 60 LEU HB3 1 62 ASP H 4.430 . 5.500 4.057 3.572 4.373 . 0 0 "[ . 1 . 2]" 1
200 1 62 ASP HB2 1 63 VAL H 4.400 . 5.500 2.844 2.437 2.994 . 0 0 "[ . 1 . 2]" 1
201 1 56 ASP HA 1 59 GLU H 4.380 . 5.500 4.486 4.039 4.800 . 0 0 "[ . 1 . 2]" 1
202 1 56 ASP HB2 1 60 LEU H 4.380 . 5.500 4.096 3.244 4.872 . 0 0 "[ . 1 . 2]" 1
203 1 65 GLN H 1 67 ASN H 4.350 . 5.500 4.088 3.936 4.183 . 0 0 "[ . 1 . 2]" 1
204 1 70 SER H 1 71 ALA H 4.240 . 5.500 2.390 1.950 2.849 . 0 0 "[ . 1 . 2]" 1
205 1 62 ASP H 1 63 VAL H 4.170 . 5.500 2.555 2.316 2.870 . 0 0 "[ . 1 . 2]" 1
206 1 67 ASN HB3 1 68 GLU H 4.100 . 5.500 4.223 4.167 4.267 . 0 0 "[ . 1 . 2]" 1
207 1 66 LYS HA 1 67 ASN H 4.090 . 5.500 3.551 3.531 3.558 . 0 0 "[ . 1 . 2]" 1
208 1 57 VAL HA 1 60 LEU H 4.090 . 5.500 3.872 3.373 4.239 . 0 0 "[ . 1 . 2]" 1
209 1 61 GLY HA3 1 62 ASP H 4.080 . 5.500 3.003 2.525 3.276 . 0 0 "[ . 1 . 2]" 1
210 1 61 GLY H 1 62 ASP H 4.070 . 5.500 2.867 2.623 3.738 . 0 0 "[ . 1 . 2]" 1
211 1 58 ASP H 1 60 LEU H 4.050 . 5.500 3.356 2.537 3.936 . 0 0 "[ . 1 . 2]" 1
212 1 63 VAL MG2 1 64 ALA H 4.020 . 5.500 3.616 3.501 3.816 . 0 0 "[ . 1 . 2]" 1
213 1 60 LEU H 1 60 LEU MD2 4.000 . 5.500 3.932 1.996 4.262 . 0 0 "[ . 1 . 2]" 1
214 1 59 GLU H 1 61 GLY H 4.000 . 5.500 4.445 3.724 5.139 . 0 0 "[ . 1 . 2]" 1
215 1 64 ALA H 1 66 LYS H 3.950 . 5.500 4.077 3.734 4.256 . 0 0 "[ . 1 . 2]" 1
216 1 59 GLU HA 1 60 LEU H 3.950 . 5.500 3.502 3.392 3.569 . 0 0 "[ . 1 . 2]" 1
217 1 65 GLN H 1 68 GLU H 3.920 . 5.500 4.582 4.479 4.698 . 0 0 "[ . 1 . 2]" 1
218 1 61 GLY HA2 1 63 VAL H 3.910 . 5.500 4.122 3.814 4.681 . 0 0 "[ . 1 . 2]" 1
219 1 61 GLY H 1 63 VAL H 3.870 . 5.500 4.320 3.688 4.713 . 0 0 "[ . 1 . 2]" 1
220 1 59 GLU HA 1 61 GLY H 3.860 . 5.500 4.341 3.852 5.537 0.037 3 0 "[ . 1 . 2]" 1
221 1 69 VAL H 1 69 VAL MG2 3.820 . 5.500 2.555 2.197 2.706 . 0 0 "[ . 1 . 2]" 1
222 1 63 VAL HA 1 66 LYS H 3.770 . 5.500 3.028 2.947 3.203 . 0 0 "[ . 1 . 2]" 1
223 1 67 ASN H 1 67 ASN HD22 3.760 . 5.500 3.866 3.787 3.961 . 0 0 "[ . 1 . 2]" 1
224 1 63 VAL HA 1 64 ALA H 3.750 . 5.500 3.555 3.450 3.591 . 0 0 "[ . 1 . 2]" 1
225 1 62 ASP H 1 62 ASP HB2 3.740 . 5.500 2.472 2.445 2.554 . 0 0 "[ . 1 . 2]" 1
226 1 60 LEU H 1 61 GLY H 3.720 . 5.500 2.985 2.434 3.519 . 0 0 "[ . 1 . 2]" 1
227 1 66 LYS QG 1 67 ASN H 3.640 . 5.500 2.018 1.899 2.362 . 0 0 "[ . 1 . 2]" 1
228 1 62 ASP HA 1 65 GLN H 3.620 . 5.500 3.577 3.048 3.797 . 0 0 "[ . 1 . 2]" 1
229 1 67 ASN H 1 69 VAL H 3.620 . 5.500 3.837 3.696 4.003 . 0 0 "[ . 1 . 2]" 1
230 1 60 LEU HB2 1 61 GLY H 3.590 . 5.500 3.971 1.983 4.472 . 0 0 "[ . 1 . 2]" 1
231 1 58 ASP HA 1 59 GLU H 3.580 . 5.500 3.540 3.489 3.576 . 0 0 "[ . 1 . 2]" 1
232 1 64 ALA HA 1 67 ASN H 3.560 . 5.500 4.063 3.925 4.232 . 0 0 "[ . 1 . 2]" 1
233 1 64 ALA MB 1 65 GLN H 3.520 . 5.500 2.890 2.784 2.961 . 0 0 "[ . 1 . 2]" 1
234 1 69 VAL HA 1 70 SER H 3.520 . 5.500 2.390 2.153 3.553 . 0 0 "[ . 1 . 2]" 1
235 1 65 GLN HA 1 68 GLU H 3.420 . 5.500 3.277 3.136 3.421 . 0 0 "[ . 1 . 2]" 1
236 1 63 VAL H 1 63 VAL MG2 3.350 . 3.400 1.947 1.903 2.085 . 0 0 "[ . 1 . 2]" 1
237 1 58 ASP QB 1 59 GLU H 3.290 . 3.400 2.568 2.119 3.412 0.012 3 0 "[ . 1 . 2]" 1
238 1 64 ALA H 1 64 ALA MB 3.230 . 3.400 2.126 2.026 2.277 . 0 0 "[ . 1 . 2]" 1
239 1 67 ASN HB2 1 69 VAL H 3.190 . 3.400 3.383 3.319 3.408 0.008 18 0 "[ . 1 . 2]" 1
240 1 67 ASN HA 1 68 GLU H 3.180 . 3.400 3.295 3.257 3.339 . 0 0 "[ . 1 . 2]" 1
241 1 66 LYS H 1 67 ASN H 3.140 . 3.400 2.724 2.574 2.841 . 0 0 "[ . 1 . 2]" 1
242 1 66 LYS H 1 66 LYS QG 3.140 . 3.400 2.761 2.438 3.522 0.122 12 0 "[ . 1 . 2]" 1
243 1 65 GLN H 1 66 LYS H 3.130 . 3.400 2.296 2.240 2.351 . 0 0 "[ . 1 . 2]" 1
244 1 64 ALA H 1 65 GLN H 3.110 . 3.400 2.596 2.292 2.721 . 0 0 "[ . 1 . 2]" 1
245 1 63 VAL HB 1 64 ALA H 3.020 . 3.400 2.514 2.230 3.084 . 0 0 "[ . 1 . 2]" 1
246 1 59 GLU HB3 1 60 LEU H 3.020 . 3.400 2.788 2.354 3.268 . 0 0 "[ . 1 . 2]" 1
247 1 68 GLU HA 1 69 VAL H 3.000 . 3.400 2.818 2.771 2.880 . 0 0 "[ . 1 . 2]" 1
248 1 66 LYS H 1 66 LYS HA 2.990 . 3.400 2.808 2.781 2.844 . 0 0 "[ . 1 . 2]" 1
249 1 58 ASP H 1 59 GLU H 2.920 . 3.400 2.285 1.921 2.682 . 0 0 "[ . 1 . 2]" 1
250 1 67 ASN H 1 68 GLU H 2.910 . 3.400 2.512 2.451 2.571 . 0 0 "[ . 1 . 2]" 1
251 1 65 GLN QB 1 66 LYS H 2.900 . 3.400 2.766 2.593 3.411 0.011 1 0 "[ . 1 . 2]" 1
252 1 63 VAL H 1 63 VAL HB 2.850 . 3.400 2.685 2.623 2.744 . 0 0 "[ . 1 . 2]" 1
253 1 60 LEU H 1 60 LEU HB2 2.830 . 3.400 2.543 2.367 2.702 . 0 0 "[ . 1 . 2]" 1
254 1 69 VAL H 1 69 VAL HB 2.810 . 3.400 2.627 2.527 2.676 . 0 0 "[ . 1 . 2]" 1
255 1 60 LEU HA 1 61 GLY H 2.790 . 3.400 2.814 2.414 3.499 0.099 9 0 "[ . 1 . 2]" 1
256 1 59 GLU H 1 59 GLU HB2 2.790 . 2.800 2.631 2.109 2.822 0.022 6 0 "[ . 1 . 2]" 1
257 1 68 GLU H 1 68 GLU QG 2.780 . 2.800 2.812 2.796 2.828 0.028 13 0 "[ . 1 . 2]" 1
258 1 66 LYS H 1 66 LYS HB3 2.680 . 2.800 2.280 2.028 2.390 . 0 0 "[ . 1 . 2]" 1
259 1 65 GLN H 1 65 GLN QB 2.670 . 2.800 2.317 2.274 2.423 . 0 0 "[ . 1 . 2]" 1
260 1 68 GLU H 1 68 GLU HA 2.580 . 2.800 2.264 2.260 2.268 . 0 0 "[ . 1 . 2]" 1
261 1 61 GLY H 1 61 GLY QA 2.530 . 2.800 2.200 2.190 2.223 . 0 0 "[ . 1 . 2]" 1
262 1 67 ASN HA 1 69 VAL MG2 4.520 . 5.500 4.113 3.932 4.247 . 0 0 "[ . 1 . 2]" 1
263 1 64 ALA HA 1 69 VAL MG2 4.410 . 5.500 3.750 2.745 4.057 . 0 0 "[ . 1 . 2]" 1
264 1 60 LEU H 1 60 LEU MD1 4.360 . 5.500 2.234 1.884 3.769 . 0 0 "[ . 1 . 2]" 1
265 1 64 ALA MB 1 69 VAL H 4.360 . 5.500 3.960 3.864 4.058 . 0 0 "[ . 1 . 2]" 1
266 1 60 LEU MD2 1 63 VAL HB 4.200 . 5.500 3.729 2.633 4.880 . 0 0 "[ . 1 . 2]" 1
267 1 61 GLY HA2 1 64 ALA MB 4.080 . 5.500 2.931 2.507 3.231 . 0 0 "[ . 1 . 2]" 1
268 1 64 ALA HA 1 67 ASN QB 3.890 . 5.500 3.573 3.451 3.753 . 0 0 "[ . 1 . 2]" 1
269 1 62 ASP HA 1 63 VAL H 3.880 . 5.500 3.491 3.463 3.566 . 0 0 "[ . 1 . 2]" 1
270 1 66 LYS HA 1 66 LYS QD 3.870 . 5.500 3.945 2.712 4.550 . 0 0 "[ . 1 . 2]" 1
271 1 67 ASN QB 1 69 VAL QG 3.850 . 5.500 2.151 1.951 2.350 . 0 0 "[ . 1 . 2]" 1
272 1 63 VAL HA 1 66 LYS QG . . 3.400 2.196 1.875 3.056 . 0 0 "[ . 1 . 2]" 1
273 1 65 GLN H 1 65 GLN QG 3.690 . 5.500 3.689 2.485 4.104 . 0 0 "[ . 1 . 2]" 1
274 1 63 VAL HA 1 66 LYS QD 3.680 . 5.500 2.931 1.922 4.814 . 0 0 "[ . 1 . 2]" 1
275 1 59 GLU HA 1 59 GLU QG 3.590 . 5.500 2.877 2.463 2.983 . 0 0 "[ . 1 . 2]" 1
276 1 59 GLU H 1 59 GLU QG 3.410 . 5.500 4.026 3.719 4.085 . 0 0 "[ . 1 . 2]" 1
277 1 56 ASP HB2 1 59 GLU HB3 3.400 . 3.400 3.391 3.105 3.468 0.068 1 0 "[ . 1 . 2]" 1
278 1 67 ASN HB2 1 69 VAL MG2 3.390 . 3.400 2.369 2.004 2.641 . 0 0 "[ . 1 . 2]" 1
279 1 60 LEU HA 1 60 LEU MD1 3.310 . 5.500 2.886 1.940 3.151 . 0 0 "[ . 1 . 2]" 1
280 1 63 VAL HA 1 63 VAL MG2 3.310 . 3.400 2.507 2.441 2.572 . 0 0 "[ . 1 . 2]" 1
281 1 64 ALA HA 1 69 VAL HB . . 2.800 2.748 2.423 2.827 0.027 1 0 "[ . 1 . 2]" 1
282 1 66 LYS HA 1 66 LYS QG . . 3.400 3.355 3.317 3.468 0.068 20 0 "[ . 1 . 2]" 1
283 1 63 VAL HA 1 66 LYS HB3 . . 2.800 2.668 1.957 2.869 0.069 1 0 "[ . 1 . 2]" 1
284 1 67 ASN H 1 67 ASN QB 3.250 . 3.400 2.329 2.301 2.362 . 0 0 "[ . 1 . 2]" 1
285 1 63 VAL MG1 1 63 VAL MG2 . . 2.800 2.036 1.908 2.078 . 0 0 "[ . 1 . 2]" 1
286 1 65 GLN HA 1 65 GLN QG 3.070 . 3.400 2.630 2.434 3.283 . 0 0 "[ . 1 . 2]" 1
287 1 64 ALA HA 1 69 VAL H 3.050 . 3.400 3.478 3.457 3.510 0.110 19 0 "[ . 1 . 2]" 1
288 1 70 SER HA 1 70 SER HB2 . . 2.800 2.472 2.372 2.991 0.191 1 0 "[ . 1 . 2]" 1
289 1 62 ASP HA 1 65 GLN QB 2.800 . 2.800 2.686 2.486 2.825 0.025 1 0 "[ . 1 . 2]" 1
290 1 67 ASN HA 1 67 ASN QB 2.780 . 2.800 2.381 2.367 2.391 . 0 0 "[ . 1 . 2]" 1
291 1 65 GLN HA 1 65 GLN QB 2.770 . 2.800 2.348 2.165 2.448 . 0 0 "[ . 1 . 2]" 1
292 1 60 LEU HA 1 60 LEU HB3 2.750 . 2.800 2.486 2.442 2.530 . 0 0 "[ . 1 . 2]" 1
293 1 60 LEU HB2 1 60 LEU MD2 2.750 . 2.800 2.437 2.274 2.474 . 0 0 "[ . 1 . 2]" 1
294 1 68 GLU HA 1 68 GLU HB3 2.710 . 2.800 2.458 2.450 2.464 . 0 0 "[ . 1 . 2]" 1
295 1 70 SER HA 1 70 SER HB3 2.700 . 2.800 2.538 2.445 2.990 0.190 13 0 "[ . 1 . 2]" 1
296 1 66 LYS HA 1 66 LYS HB2 2.620 . 2.800 2.320 2.233 2.370 . 0 0 "[ . 1 . 2]" 1
297 1 66 LYS HB3 1 66 LYS QG 2.610 . 2.800 2.268 2.139 2.356 . 0 0 "[ . 1 . 2]" 1
298 1 62 ASP HA 1 62 ASP HB3 2.580 . 2.800 2.455 2.450 2.461 . 0 0 "[ . 1 . 2]" 1
299 1 59 GLU HA 1 59 GLU HB2 2.580 . 2.800 2.494 2.443 2.686 . 0 0 "[ . 1 . 2]" 1
300 1 99 ILE MG 1 100 ALA H 4.650 . 5.500 3.910 3.761 4.035 . 0 0 "[ . 1 . 2]" 1
301 1 99 ILE MD 1 100 ALA H 4.480 . 5.500 4.751 3.861 5.184 . 0 0 "[ . 1 . 2]" 1
302 1 99 ILE H 1 99 ILE MD 4.450 . 5.500 3.167 1.834 3.798 . 0 0 "[ . 1 . 2]" 1
303 1 89 GLY QA 1 90 ALA H . . 3.400 2.206 2.109 2.863 . 0 0 "[ . 1 . 2]" 1
304 1 99 ILE HA 1 102 ASN H 4.300 . 5.500 4.034 3.875 4.179 . 0 0 "[ . 1 . 2]" 1
305 1 96 LYS HA 1 98 ALA H 4.270 . 5.500 4.348 4.283 4.497 . 0 0 "[ . 1 . 2]" 1
306 1 99 ILE QG 1 100 ALA H 4.030 . 5.500 4.358 4.066 4.797 . 0 0 "[ . 1 . 2]" 1
307 1 96 LYS QB 1 97 GLN H . . 3.400 3.009 2.046 3.424 0.024 16 0 "[ . 1 . 2]" 1
308 1 90 ALA MB 1 91 ASN H 3.990 . 5.500 3.678 3.634 3.721 . 0 0 "[ . 1 . 2]" 1
309 1 97 GLN HG3 1 98 ALA H 3.990 . 5.500 4.414 4.152 5.044 . 0 0 "[ . 1 . 2]" 1
310 1 99 ILE HA 1 100 ALA H 3.740 . 5.500 3.368 3.334 3.421 . 0 0 "[ . 1 . 2]" 1
311 1 96 LYS HA 1 97 GLN H 3.730 . 5.500 3.554 3.513 3.573 . 0 0 "[ . 1 . 2]" 1
312 1 94 ALA MB 1 95 ILE H 3.710 . 5.500 2.459 2.135 2.664 . 0 0 "[ . 1 . 2]" 1
313 1 101 ALA MB 1 102 ASN H 3.700 . 5.500 2.854 2.794 2.897 . 0 0 "[ . 1 . 2]" 1
314 1 101 ALA HA 1 102 ASN H 3.680 . 5.500 3.494 3.484 3.507 . 0 0 "[ . 1 . 2]" 1
315 1 95 ILE HA 1 98 ALA H 3.640 . 5.500 3.875 3.619 4.206 . 0 0 "[ . 1 . 2]" 1
316 1 102 ASN HB2 1 103 ALA H 3.620 . 5.500 2.405 2.152 2.797 . 0 0 "[ . 1 . 2]" 1
317 1 100 ALA H 1 103 ALA H 3.590 . 5.500 4.202 4.012 4.379 . 0 0 "[ . 1 . 2]" 1
318 1 99 ILE H 1 99 ILE MG 3.590 . 5.500 3.766 3.703 3.796 . 0 0 "[ . 1 . 2]" 1
319 1 102 ASN HA 1 103 ALA H 3.480 . 5.500 3.561 3.534 3.579 . 0 0 "[ . 1 . 2]" 1
320 1 99 ILE H 1 103 ALA H 3.450 . 5.500 5.465 5.283 5.519 0.019 16 0 "[ . 1 . 2]" 1
321 1 100 ALA H 1 102 ASN H . . 3.400 3.449 3.425 3.482 0.082 20 0 "[ . 1 . 2]" 1
322 1 96 LYS H 1 98 ALA H 3.390 . 3.400 3.452 3.422 3.472 0.072 16 0 "[ . 1 . 2]" 1
323 1 94 ALA H 1 96 LYS H 3.350 . 3.400 3.151 2.574 3.410 0.010 3 0 "[ . 1 . 2]" 1
324 1 90 ALA HA 1 95 ILE H 3.340 . 3.400 3.466 3.449 3.507 0.107 9 0 "[ . 1 . 2]" 1
325 1 96 LYS H 1 96 LYS QG 3.320 . 3.400 2.218 1.964 3.592 0.192 18 0 "[ . 1 . 2]" 1
326 1 97 GLN H 1 97 GLN HG3 3.220 . 3.400 2.446 2.018 3.463 0.063 9 0 "[ . 1 . 2]" 1
327 1 94 ALA HA 1 96 LYS H 3.210 . 3.400 3.519 3.481 3.574 0.174 16 0 "[ . 1 . 2]" 1
328 1 94 ALA H 1 95 ILE H 3.110 . 3.400 2.164 1.990 2.392 . 0 0 "[ . 1 . 2]" 1
329 1 95 ILE MG 1 96 LYS H 3.720 . 5.500 2.473 2.301 2.692 . 0 0 "[ . 1 . 2]" 1
330 1 100 ALA H 1 100 ALA MB 3.080 . 3.400 2.204 2.128 2.306 . 0 0 "[ . 1 . 2]" 1
331 1 91 ASN H 1 91 ASN HB3 3.070 . 3.400 2.838 2.478 3.554 0.154 19 0 "[ . 1 . 2]" 1
332 1 91 ASN H 1 91 ASN HB2 3.160 . 3.400 2.664 2.355 3.516 0.116 11 0 "[ . 1 . 2]" 1
333 1 103 ALA H 1 103 ALA MB 3.070 . 3.400 2.240 2.117 2.444 . 0 0 "[ . 1 . 2]" 1
334 1 103 ALA H 1 103 ALA HA 3.000 . 3.400 2.875 2.762 2.949 . 0 0 "[ . 1 . 2]" 1
335 1 94 ALA H 1 94 ALA MB 3.000 . 3.400 2.551 2.359 2.855 . 0 0 "[ . 1 . 2]" 1
336 1 99 ILE H 1 100 ALA H 2.980 . 3.400 2.343 2.267 2.378 . 0 0 "[ . 1 . 2]" 1
337 1 98 ALA H 1 98 ALA MB 2.920 . 3.400 2.169 2.097 2.237 . 0 0 "[ . 1 . 2]" 1
338 1 100 ALA H 1 101 ALA H 2.880 . 3.400 2.701 2.570 2.855 . 0 0 "[ . 1 . 2]" 1
339 1 95 ILE H 1 95 ILE MG 3.450 . 5.500 2.113 1.967 2.203 . 0 0 "[ . 1 . 2]" 1
340 1 96 LYS H 1 97 GLN H 2.860 . 3.400 2.407 2.239 2.648 . 0 0 "[ . 1 . 2]" 1
341 1 99 ILE H 1 99 ILE QG 2.850 . 3.400 2.645 2.189 3.441 0.041 18 0 "[ . 1 . 2]" 1
342 1 97 GLN H 1 97 GLN HA 2.830 . 3.400 2.835 2.791 2.869 . 0 0 "[ . 1 . 2]" 1
343 1 101 ALA H 1 102 ASN H 2.830 . 3.400 2.788 2.718 2.864 . 0 0 "[ . 1 . 2]" 1
344 1 101 ALA H 1 101 ALA HA 2.830 . 3.400 2.755 2.725 2.780 . 0 0 "[ . 1 . 2]" 1
345 1 101 ALA H 1 101 ALA MB 2.830 . 3.400 2.149 2.066 2.224 . 0 0 "[ . 1 . 2]" 1
346 1 95 ILE H 1 96 LYS H 2.770 . 2.800 2.799 2.761 2.840 0.040 5 0 "[ . 1 . 2]" 1
347 1 90 ALA HA 1 91 ASN H 2.760 . 2.800 2.782 2.535 2.852 0.052 7 0 "[ . 1 . 2]" 1
348 1 98 ALA H 1 98 ALA HA 2.740 . 2.800 2.805 2.789 2.818 0.018 12 0 "[ . 1 . 2]" 1
349 1 97 GLN HB2 1 98 ALA H 2.740 . 2.800 2.807 2.778 2.818 0.018 5 0 "[ . 1 . 2]" 1
350 1 95 ILE H 1 95 ILE HB 2.660 . 2.800 2.576 2.540 2.618 . 0 0 "[ . 1 . 2]" 1
351 1 99 ILE H 1 99 ILE HB 2.640 . 2.800 2.470 2.330 2.572 . 0 0 "[ . 1 . 2]" 1
352 1 102 ASN H 1 103 ALA H 2.600 . 2.800 2.514 2.310 2.708 . 0 0 "[ . 1 . 2]" 1
353 1 97 GLN H 1 97 GLN HB2 2.480 . 2.800 2.499 2.424 2.574 . 0 0 "[ . 1 . 2]" 1
354 1 96 LYS H 1 96 LYS QB 2.430 . 2.800 2.627 2.131 2.762 . 0 0 "[ . 1 . 2]" 1
355 1 91 ASN HB2 1 93 ALA MB 4.830 . 5.500 4.556 3.660 5.502 0.002 2 0 "[ . 1 . 2]" 1
356 1 99 ILE HA 1 99 ILE MD 4.540 . 5.500 3.499 2.645 3.854 . 0 0 "[ . 1 . 2]" 1
357 1 99 ILE HA 1 103 ALA MB 4.360 . 5.500 3.401 2.800 3.878 . 0 0 "[ . 1 . 2]" 1
358 1 90 ALA MB 1 95 ILE HB 4.360 . 5.500 2.622 2.276 3.022 . 0 0 "[ . 1 . 2]" 1
359 1 95 ILE HA 1 98 ALA MB 4.190 . 5.500 2.680 2.483 2.821 . 0 0 "[ . 1 . 2]" 1
360 1 98 ALA HA 1 100 ALA H 3.980 . 5.500 3.960 3.870 4.067 . 0 0 "[ . 1 . 2]" 1
361 1 90 ALA MB 1 95 ILE HA 3.970 . 5.500 4.528 4.105 5.039 . 0 0 "[ . 1 . 2]" 1
362 1 90 ALA HA 1 95 ILE MD 3.930 . 5.500 3.544 3.160 3.845 . 0 0 "[ . 1 . 2]" 1
363 1 95 ILE HA 1 95 ILE MD . . 3.400 1.868 1.827 2.017 . 0 0 "[ . 1 . 2]" 1
364 1 96 LYS HA 1 99 ILE H 3.900 . 5.500 3.741 3.660 3.898 . 0 0 "[ . 1 . 2]" 1
365 1 98 ALA HA 1 102 ASN H 3.800 . 5.500 4.304 4.147 4.560 . 0 0 "[ . 1 . 2]" 1
366 1 100 ALA HA 1 101 ALA H 3.730 . 5.500 3.560 3.539 3.570 . 0 0 "[ . 1 . 2]" 1
367 1 91 ASN HB3 1 93 ALA MB 3.690 . 5.500 4.085 3.604 5.109 . 0 0 "[ . 1 . 2]" 1
368 1 95 ILE HA 1 95 ILE QG 3.650 . 5.500 3.049 2.991 3.097 . 0 0 "[ . 1 . 2]" 1
369 1 95 ILE H 1 95 ILE QG 3.580 . 5.500 4.051 4.026 4.065 . 0 0 "[ . 1 . 2]" 1
370 1 95 ILE MG 1 96 LYS QG 3.460 . 5.500 3.363 2.123 4.801 . 0 0 "[ . 1 . 2]" 1
371 1 97 GLN HA 1 100 ALA MB 3.440 . 5.500 2.196 2.030 2.351 . 0 0 "[ . 1 . 2]" 1
372 1 99 ILE HA 1 99 ILE QG . . 3.400 2.410 2.371 2.460 . 0 0 "[ . 1 . 2]" 1
373 1 90 ALA HA 1 95 ILE HB 3.420 . 5.500 1.839 1.789 1.962 0.011 4 0 "[ . 1 . 2]" 1
374 1 99 ILE MD 1 99 ILE MG . . 3.400 2.253 1.786 3.258 0.014 8 0 "[ . 1 . 2]" 1
375 1 96 LYS HA 1 96 LYS QG 3.400 . 3.400 3.168 2.429 3.442 0.042 16 0 "[ . 1 . 2]" 1
376 1 99 ILE HA 1 99 ILE MG 3.390 . 3.400 2.382 2.271 2.500 . 0 0 "[ . 1 . 2]" 1
377 1 99 ILE HB 1 100 ALA H 3.360 . 3.400 3.357 3.171 3.424 0.024 10 0 "[ . 1 . 2]" 1
378 1 96 LYS HA 1 99 ILE HB 3.220 . 3.400 3.419 3.409 3.436 0.036 3 0 "[ . 1 . 2]" 1
379 1 97 GLN H 1 97 GLN QB 3.000 . 3.400 2.455 2.388 2.520 . 0 0 "[ . 1 . 2]" 1
380 1 91 ASN HA 1 91 ASN HB2 2.960 . 3.400 2.632 2.440 3.023 . 0 0 "[ . 1 . 2]" 1
381 1 90 ALA MB 1 95 ILE QG 3.460 . 5.500 2.379 1.958 3.190 . 0 0 "[ . 1 . 2]" 1
382 1 90 ALA HA 1 95 ILE QG 2.810 . 3.400 3.443 3.424 3.471 0.071 4 0 "[ . 1 . 2]" 1
383 1 94 ALA HA 1 97 GLN H 2.810 . 3.400 3.246 3.077 3.425 0.025 10 0 "[ . 1 . 2]" 1
384 1 91 ASN HA 1 92 PRO HD2 2.770 . 2.800 2.438 2.059 2.647 . 0 0 "[ . 1 . 2]" 1
385 1 91 ASN HA 1 92 PRO QD 2.660 . 2.800 1.971 1.932 2.016 . 0 0 "[ . 1 . 2]" 1
386 1 94 ALA HA 1 97 GLN QB 2.630 . 3.400 2.960 2.711 3.358 . 0 0 "[ . 1 . 2]" 1
387 1 97 GLN HA 1 97 GLN HB3 2.610 . 2.800 2.469 2.418 2.534 . 0 0 "[ . 1 . 2]" 1
388 1 95 ILE HB 1 95 ILE QG 2.360 . 2.800 2.334 2.318 2.351 . 0 0 "[ . 1 . 2]" 1
389 1 22 VAL MG2 1 23 VAL H 4.730 . 5.500 4.266 4.144 4.332 . 0 0 "[ . 1 . 2]" 1
390 1 23 VAL H 1 76 LEU HB2 4.500 . 5.500 3.768 3.369 4.254 . 0 0 "[ . 1 . 2]" 1
391 1 26 TYR H 1 26 TYR HE2 4.500 . 5.500 4.566 4.495 4.623 . 0 0 "[ . 1 . 2]" 1
392 1 21 VAL HB 1 22 VAL H 4.450 . 5.500 4.144 4.011 4.314 . 0 0 "[ . 1 . 2]" 1
393 1 25 PHE H 1 76 LEU HG 4.410 . 5.500 3.908 3.440 4.329 . 0 0 "[ . 1 . 2]" 1
394 1 25 PHE H 1 74 THR MG 4.390 . 5.500 3.891 3.536 4.218 . 0 0 "[ . 1 . 2]" 1
395 1 20 LEU H 1 21 VAL H 4.380 . 5.500 4.330 4.295 4.350 . 0 0 "[ . 1 . 2]" 1
396 1 21 VAL H 1 78 PHE QD 4.370 . 5.500 4.567 4.327 4.824 . 0 0 "[ . 1 . 2]" 1
397 1 20 LEU H 1 20 LEU MD2 4.340 . 5.500 4.276 3.718 4.328 . 0 0 "[ . 1 . 2]" 1
398 1 23 VAL H 1 78 PHE QE 4.290 . 5.500 3.867 3.503 4.291 . 0 0 "[ . 1 . 2]" 1
399 1 25 PHE H 1 26 TYR H 4.280 . 5.500 3.230 3.166 3.314 . 0 0 "[ . 1 . 2]" 1
400 1 21 VAL H 1 77 LEU HA 4.240 . 5.500 4.540 4.319 4.770 . 0 0 "[ . 1 . 2]" 1
401 1 22 VAL H 1 52 PHE HD1 4.230 . 5.500 4.692 4.467 4.886 . 0 0 "[ . 1 . 2]" 1
402 1 25 PHE HD1 1 26 TYR H 4.210 . 5.500 4.825 4.754 4.887 . 0 0 "[ . 1 . 2]" 1
403 1 25 PHE H 1 74 THR H 4.210 . 5.500 3.070 2.651 3.470 . 0 0 "[ . 1 . 2]" 1
404 1 22 VAL H 1 51 ASP HB2 4.190 . 5.500 4.263 3.934 4.766 . 0 0 "[ . 1 . 2]" 1
405 1 22 VAL H 1 51 ASP H 4.170 . 5.500 4.038 3.652 4.392 . 0 0 "[ . 1 . 2]" 1
406 1 25 PHE H 1 74 THR HB 4.170 . 5.500 2.938 2.664 3.423 . 0 0 "[ . 1 . 2]" 1
407 1 22 VAL H 1 22 VAL MG2 4.020 . 5.500 2.448 2.319 2.611 . 0 0 "[ . 1 . 2]" 1
408 1 21 VAL MG2 1 22 VAL H 3.960 . 5.500 4.060 3.989 4.172 . 0 0 "[ . 1 . 2]" 1
409 1 23 VAL H 1 77 LEU HG 3.960 . 5.500 4.828 4.448 5.070 . 0 0 "[ . 1 . 2]" 1
410 1 20 LEU H 1 49 GLN HB3 3.940 . 5.500 5.162 4.502 5.518 0.018 8 0 "[ . 1 . 2]" 1
411 1 19 LYS H 1 20 LEU H 3.940 . 5.500 4.620 4.605 4.631 . 0 0 "[ . 1 . 2]" 1
412 1 25 PHE HB3 1 26 TYR H 3.900 . 5.500 4.377 4.358 4.399 . 0 0 "[ . 1 . 2]" 1
413 1 23 VAL H 1 77 LEU HA 3.850 . 5.500 3.598 3.274 3.780 . 0 0 "[ . 1 . 2]" 1
414 1 19 LYS H 1 80 ASN QB 3.830 . 5.500 5.065 4.225 5.400 . 0 0 "[ . 1 . 2]" 1
415 1 23 VAL H 1 23 VAL MG2 3.790 . 5.500 2.547 2.445 2.683 . 0 0 "[ . 1 . 2]" 1
416 1 24 ASP H 1 53 TYR H 3.790 . 5.500 5.008 4.673 5.172 . 0 0 "[ . 1 . 2]" 1
417 1 19 LYS HB2 1 21 VAL H 3.760 . 5.500 5.519 5.507 5.540 0.040 15 0 "[ . 1 . 2]" 1
418 1 22 VAL H 1 53 TYR H 3.750 . 5.500 3.438 3.088 3.883 . 0 0 "[ . 1 . 2]" 1
419 1 17 GLN H 1 19 LYS H 3.740 . 5.500 5.523 5.501 5.548 0.048 15 0 "[ . 1 . 2]" 1
420 1 21 VAL H 1 78 PHE H 3.740 . 5.500 2.922 2.712 3.131 . 0 0 "[ . 1 . 2]" 1
421 1 20 LEU H 1 50 ALA HA 3.720 . 5.500 3.166 2.707 3.413 . 0 0 "[ . 1 . 2]" 1
422 1 26 TYR H 1 56 ASP HA 3.710 . 5.500 5.393 5.208 5.510 0.010 5 0 "[ . 1 . 2]" 1
423 1 26 TYR H 1 26 TYR HB3 3.710 . 5.500 2.717 2.674 2.757 . 0 0 "[ . 1 . 2]" 1
424 1 21 VAL H 1 78 PHE HB2 3.710 . 5.500 3.566 3.304 3.814 . 0 0 "[ . 1 . 2]" 1
425 1 25 PHE H 1 75 LEU HA 3.690 . 5.500 3.870 3.592 4.065 . 0 0 "[ . 1 . 2]" 1
426 1 21 VAL H 1 21 VAL MG2 3.670 . 5.500 2.598 2.514 2.701 . 0 0 "[ . 1 . 2]" 1
427 1 22 VAL MG1 1 23 VAL H 3.640 . 5.500 3.274 2.914 3.452 . 0 0 "[ . 1 . 2]" 1
428 1 23 VAL H 1 76 LEU H 3.530 . 5.500 3.514 3.167 3.996 . 0 0 "[ . 1 . 2]" 1
429 1 22 VAL H 1 52 PHE HA 3.380 . 3.400 2.728 2.477 3.074 . 0 0 "[ . 1 . 2]" 1
430 1 26 TYR H 1 57 VAL MG2 4.010 . 5.500 3.676 3.516 3.809 . 0 0 "[ . 1 . 2]" 1
431 1 21 VAL H 1 21 VAL HB 3.220 . 3.400 2.574 2.547 2.645 . 0 0 "[ . 1 . 2]" 1
432 1 24 ASP H 1 54 LYS HA 3.200 . 3.400 1.931 1.846 2.143 . 0 0 "[ . 1 . 2]" 1
433 1 23 VAL H 1 23 VAL HB 3.200 . 3.400 2.608 2.575 2.682 . 0 0 "[ . 1 . 2]" 1
434 1 25 PHE H 1 25 PHE HD1 3.150 . 3.400 2.362 2.294 2.448 . 0 0 "[ . 1 . 2]" 1
435 1 20 LEU HG 1 21 VAL H 3.120 . 3.400 3.405 3.184 3.437 0.037 9 0 "[ . 1 . 2]" 1
436 1 26 TYR H 1 26 TYR HD2 3.070 . 3.400 3.169 3.095 3.269 . 0 0 "[ . 1 . 2]" 1
437 1 22 VAL H 1 22 VAL HB 3.050 . 3.400 2.577 2.560 2.600 . 0 0 "[ . 1 . 2]" 1
438 1 20 LEU H 1 20 LEU HA 2.970 . 3.400 2.917 2.914 2.920 . 0 0 "[ . 1 . 2]" 1
439 1 19 LYS H 1 19 LYS HG3 2.910 . 3.400 3.206 2.762 3.418 0.018 8 0 "[ . 1 . 2]" 1
440 1 19 LYS H 1 19 LYS HB2 2.900 . 3.400 3.512 3.488 3.556 0.156 9 0 "[ . 1 . 2]" 1
441 1 21 VAL HA 1 22 VAL H 2.720 . 2.800 2.159 2.143 2.191 . 0 0 "[ . 1 . 2]" 1
442 1 23 VAL HA 1 24 ASP H 2.690 . 2.800 2.151 2.121 2.221 . 0 0 "[ . 1 . 2]" 1
443 1 22 VAL HA 1 23 VAL H 2.690 . 2.800 2.212 2.143 2.298 . 0 0 "[ . 1 . 2]" 1
444 1 24 ASP HA 1 25 PHE H 2.680 . 2.800 2.183 2.166 2.208 . 0 0 "[ . 1 . 2]" 1
445 1 20 LEU HA 1 21 VAL H 2.670 . 2.800 2.120 2.107 2.129 . 0 0 "[ . 1 . 2]" 1
446 1 18 ASP HA 1 19 LYS H 2.650 . 2.800 2.810 2.785 2.829 0.029 13 0 "[ . 1 . 2]" 1
447 1 19 LYS HA 1 20 LEU H 2.650 . 2.800 2.876 2.858 2.911 0.111 16 0 "[ . 1 . 2]" 1
448 1 25 PHE HA 1 26 TYR H 2.640 . 2.800 2.675 2.625 2.740 . 0 0 "[ . 1 . 2]" 1
449 1 25 PHE HA 1 55 LEU MD1 4.550 . 5.500 2.799 2.494 3.037 . 0 0 "[ . 1 . 2]" 1
450 1 21 VAL H 1 21 VAL MG1 4.350 . 5.500 3.821 3.809 3.856 . 0 0 "[ . 1 . 2]" 1
451 1 22 VAL MG2 1 77 LEU HA 4.310 . 5.500 3.807 2.916 4.437 . 0 0 "[ . 1 . 2]" 1
452 1 23 VAL MG1 1 24 ASP H 4.220 . 5.500 2.532 2.206 2.841 . 0 0 "[ . 1 . 2]" 1
453 1 20 LEU HG 1 22 VAL MG2 4.060 . 5.500 2.867 2.315 3.466 . 0 0 "[ . 1 . 2]" 1
454 1 21 VAL MG2 1 78 PHE HB2 3.990 . 5.500 4.000 3.776 4.274 . 0 0 "[ . 1 . 2]" 1
455 1 24 ASP HA 1 75 LEU HG 3.970 . 5.500 5.016 4.581 5.148 . 0 0 "[ . 1 . 2]" 1
456 1 22 VAL HB 1 52 PHE HE2 3.920 . 5.500 4.127 3.868 4.559 . 0 0 "[ . 1 . 2]" 1
457 1 19 LYS QB 1 50 ALA HA 3.910 . 5.500 2.907 2.704 3.063 . 0 0 "[ . 1 . 2]" 1
458 1 24 ASP HB3 1 54 LYS HB3 3.900 . 5.500 3.423 3.141 5.168 . 0 0 "[ . 1 . 2]" 1
459 1 25 PHE H 1 25 PHE HB2 . . 3.400 2.298 2.279 2.313 . 0 0 "[ . 1 . 2]" 1
460 1 22 VAL HA 1 76 LEU H 3.880 . 5.500 4.460 4.203 4.818 . 0 0 "[ . 1 . 2]" 1
461 1 20 LEU HB2 1 20 LEU MD2 . . 3.400 2.403 2.305 3.153 . 0 0 "[ . 1 . 2]" 1
462 1 26 TYR HB3 1 27 ALA H 3.750 . 5.500 3.945 3.786 4.065 . 0 0 "[ . 1 . 2]" 1
463 1 20 LEU HB2 1 50 ALA HA 3.730 . 5.500 5.254 4.527 5.519 0.019 11 0 "[ . 1 . 2]" 1
464 1 26 TYR HA 1 26 TYR HD1 3.730 . 5.500 3.974 3.945 4.023 . 0 0 "[ . 1 . 2]" 1
465 1 22 VAL MG2 1 77 LEU HG 3.710 . 5.500 2.543 1.934 3.179 . 0 0 "[ . 1 . 2]" 1
466 1 25 PHE HA 1 55 LEU HB3 3.080 . 3.400 1.905 1.851 2.019 . 0 0 "[ . 1 . 2]" 1
467 1 25 PHE HA 1 25 PHE HD1 . . 3.400 3.142 3.078 3.186 . 0 0 "[ . 1 . 2]" 1
468 1 24 ASP HA 1 75 LEU QD 3.630 . 5.500 2.951 2.539 3.043 . 0 0 "[ . 1 . 2]" 1
469 1 20 LEU HA 1 20 LEU HG 3.630 . 5.500 3.115 2.667 3.202 . 0 0 "[ . 1 . 2]" 1
470 1 21 VAL HB 1 78 PHE H 3.600 . 5.500 3.885 3.543 4.220 . 0 0 "[ . 1 . 2]" 1
471 1 23 VAL HA 1 23 VAL MG1 3.520 . 5.500 2.353 2.274 2.406 . 0 0 "[ . 1 . 2]" 1
472 1 26 TYR HA 1 57 VAL HB 3.440 . 5.500 5.521 5.504 5.545 0.045 16 0 "[ . 1 . 2]" 1
473 1 22 VAL HB 1 52 PHE HA . . 3.400 2.759 2.195 3.405 0.005 14 0 "[ . 1 . 2]" 1
474 1 22 VAL HA 1 77 LEU HG 3.290 . 3.400 3.162 2.674 3.417 0.017 10 0 "[ . 1 . 2]" 1
475 1 23 VAL HB 1 76 LEU HB2 3.260 . 3.400 3.071 2.855 3.404 0.004 11 0 "[ . 1 . 2]" 1
476 1 26 TYR HA 1 27 ALA H 3.210 . 3.400 2.191 2.135 2.245 . 0 0 "[ . 1 . 2]" 1
477 1 24 ASP HA 1 75 LEU HA 3.110 . 3.400 2.578 2.342 2.819 . 0 0 "[ . 1 . 2]" 1
478 1 19 LYS HA 1 19 LYS QG 3.100 . 3.400 2.448 2.418 2.476 . 0 0 "[ . 1 . 2]" 1
479 1 19 LYS HB3 1 20 LEU H . . 2.800 1.764 1.750 1.773 0.050 13 0 "[ . 1 . 2]" 1
480 1 22 VAL MG2 1 99 ILE MG 3.050 . 3.400 2.598 2.043 3.248 . 0 0 "[ . 1 . 2]" 1
481 1 22 VAL HA 1 77 LEU HA 3.000 . 3.400 2.892 2.317 3.362 . 0 0 "[ . 1 . 2]" 1
482 1 21 VAL HA 1 21 VAL MG1 2.950 . 3.400 2.403 2.303 2.432 . 0 0 "[ . 1 . 2]" 1
483 1 19 LYS HG2 1 49 GLN HB3 2.870 . 3.400 3.430 3.407 3.468 0.068 9 0 "[ . 1 . 2]" 1
484 1 19 LYS HA 1 19 LYS HB3 2.750 . 2.800 2.494 2.484 2.532 . 0 0 "[ . 1 . 2]" 1
485 1 21 VAL MG2 1 51 ASP H 5.130 . 5.500 2.666 2.279 3.000 . 0 0 "[ . 1 . 2]" 1
486 1 2 VAL MG2 1 52 PHE H 5.130 . 5.500 4.584 3.658 5.339 . 0 0 "[ . 1 . 2]" 1
487 1 2 VAL MG2 1 53 TYR H 4.770 . 5.500 4.942 3.815 5.508 0.008 12 0 "[ . 1 . 2]" 1
488 1 54 LYS H 1 55 LEU H 4.700 . 5.500 4.317 4.220 4.472 . 0 0 "[ . 1 . 2]" 1
489 1 56 ASP H 1 60 LEU H 4.690 . 5.500 4.508 3.854 5.418 . 0 0 "[ . 1 . 2]" 1
490 1 57 VAL HA 1 58 ASP H 4.680 . 5.500 3.264 2.742 3.392 . 0 0 "[ . 1 . 2]" 1
491 1 23 VAL MG1 1 55 LEU H 4.650 . 5.500 2.401 2.070 3.006 . 0 0 "[ . 1 . 2]" 1
492 1 56 ASP HA 1 58 ASP H 4.510 . 5.500 3.442 3.224 3.975 . 0 0 "[ . 1 . 2]" 1
493 1 51 ASP H 1 52 PHE H 4.460 . 5.500 4.483 4.424 4.589 . 0 0 "[ . 1 . 2]" 1
494 1 26 TYR HE1 1 56 ASP H 4.370 . 5.500 4.594 4.397 4.784 . 0 0 "[ . 1 . 2]" 1
495 1 23 VAL MG1 1 54 LYS H 4.370 . 5.500 3.149 2.841 3.591 . 0 0 "[ . 1 . 2]" 1
496 1 47 TYR HD1 1 49 GLN H 4.330 . 5.500 5.278 5.183 5.504 0.004 12 0 "[ . 1 . 2]" 1
497 1 53 TYR HD1 1 54 LYS H 4.250 . 5.500 3.213 3.161 3.279 . 0 0 "[ . 1 . 2]" 1
498 1 57 VAL H 1 59 GLU H 4.220 . 5.500 4.508 4.196 4.858 . 0 0 "[ . 1 . 2]" 1
499 1 57 VAL MG2 1 58 ASP H 4.210 . 5.500 4.209 4.080 4.321 . 0 0 "[ . 1 . 2]" 1
500 1 19 LYS QB 1 51 ASP H 4.150 . 5.500 3.796 3.572 3.998 . 0 0 "[ . 1 . 2]" 1
501 1 55 LEU H 1 56 ASP H 4.130 . 5.500 4.452 4.084 4.557 . 0 0 "[ . 1 . 2]" 1
502 1 52 PHE H 1 53 TYR H 4.110 . 5.500 3.983 3.724 4.243 . 0 0 "[ . 1 . 2]" 1
503 1 52 PHE HD1 1 53 TYR H 4.050 . 5.500 5.284 5.210 5.371 . 0 0 "[ . 1 . 2]" 1
504 1 56 ASP HB2 1 57 VAL H 3.960 . 5.500 4.424 4.306 4.531 . 0 0 "[ . 1 . 2]" 1
505 1 49 GLN H 1 49 GLN QG 3.950 . 5.500 2.265 2.094 3.279 . 0 0 "[ . 1 . 2]" 1
506 1 57 VAL HB 1 58 ASP H 3.900 . 5.500 3.594 3.340 4.285 . 0 0 "[ . 1 . 2]" 1
507 1 51 ASP HB3 1 53 TYR H 3.850 . 5.500 4.483 4.179 4.950 . 0 0 "[ . 1 . 2]" 1
508 1 47 TYR HB3 1 50 ALA H 3.810 . 5.500 3.067 2.956 3.292 . 0 0 "[ . 1 . 2]" 1
509 1 48 PRO HD2 1 49 GLN H 3.800 . 5.500 3.347 3.233 3.458 . 0 0 "[ . 1 . 2]" 1
510 1 47 TYR HA 1 49 GLN H 3.800 . 5.500 3.356 3.212 3.616 . 0 0 "[ . 1 . 2]" 1
511 1 23 VAL HA 1 55 LEU H 3.790 . 5.500 4.353 4.031 4.859 . 0 0 "[ . 1 . 2]" 1
512 1 25 PHE HA 1 55 LEU H 3.650 . 5.500 3.270 3.168 3.376 . 0 0 "[ . 1 . 2]" 1
513 1 50 ALA MB 1 51 ASP H 3.630 . 5.500 2.888 2.663 3.033 . 0 0 "[ . 1 . 2]" 1
514 1 55 LEU HB2 1 56 ASP H 3.600 . 5.500 4.257 4.120 4.498 . 0 0 "[ . 1 . 2]" 1
515 1 50 ALA H 1 52 PHE HE1 3.590 . 5.500 3.482 3.243 3.624 . 0 0 "[ . 1 . 2]" 1
516 1 49 GLN HA 1 50 ALA H 3.580 . 5.500 3.498 3.400 3.526 . 0 0 "[ . 1 . 2]" 1
517 1 48 PRO HA 1 50 ALA H 3.530 . 5.500 4.141 3.775 4.268 . 0 0 "[ . 1 . 2]" 1
518 1 53 TYR H 1 53 TYR HD1 3.520 . 5.500 4.845 4.741 4.931 . 0 0 "[ . 1 . 2]" 1
519 1 55 LEU HG 1 56 ASP H 3.450 . 5.500 4.444 4.114 5.040 . 0 0 "[ . 1 . 2]" 1
520 1 4 GLN HA 1 54 LYS H 3.430 . 5.500 2.585 2.157 3.181 . 0 0 "[ . 1 . 2]" 1
521 1 50 ALA H 1 51 ASP H 3.410 . 5.500 4.555 4.501 4.585 . 0 0 "[ . 1 . 2]" 1
522 1 48 PRO HA 1 49 GLN H 3.390 . 3.400 3.505 3.474 3.533 0.133 12 0 "[ . 1 . 2]" 1
523 1 23 VAL HA 1 53 TYR H 3.390 . 3.400 3.291 2.991 3.425 0.025 18 0 "[ . 1 . 2]" 1
524 1 55 LEU H 1 55 LEU HB3 3.380 . 3.400 2.625 2.537 2.815 . 0 0 "[ . 1 . 2]" 1
525 1 57 VAL H 1 57 VAL HB 3.380 . 3.400 2.430 2.331 2.507 . 0 0 "[ . 1 . 2]" 1
526 1 49 GLN HB2 1 50 ALA H 3.330 . 3.400 2.761 2.614 3.208 . 0 0 "[ . 1 . 2]" 1
527 1 50 ALA H 1 50 ALA MB 3.310 . 3.400 2.165 2.135 2.246 . 0 0 "[ . 1 . 2]" 1
528 1 53 TYR H 1 53 TYR HB2 3.300 . 3.400 2.382 2.329 2.466 . 0 0 "[ . 1 . 2]" 1
529 1 21 VAL HA 1 51 ASP H 3.240 . 3.400 2.523 2.196 2.874 . 0 0 "[ . 1 . 2]" 1
530 1 53 TYR HB3 1 54 LYS H 3.160 . 3.400 1.980 1.889 2.178 . 0 0 "[ . 1 . 2]" 1
531 1 57 VAL H 1 57 VAL MG2 3.130 . 3.400 2.366 2.177 2.573 . 0 0 "[ . 1 . 2]" 1
532 1 52 PHE H 1 52 PHE HD1 3.100 . 3.400 2.183 2.018 2.548 . 0 0 "[ . 1 . 2]" 1
533 1 51 ASP H 1 51 ASP HB2 3.080 . 3.400 2.479 2.455 2.502 . 0 0 "[ . 1 . 2]" 1
534 1 54 LYS HA 1 55 LEU H 3.050 . 3.400 2.231 2.144 2.429 . 0 0 "[ . 1 . 2]" 1
535 1 58 ASP H 1 58 ASP QB 3.020 . 3.400 2.460 2.274 2.930 . 0 0 "[ . 1 . 2]" 1
536 1 49 GLN H 1 50 ALA H 3.020 . 3.400 2.646 2.506 2.733 . 0 0 "[ . 1 . 2]" 1
537 1 53 TYR HA 1 54 LYS H 3.000 . 3.400 2.630 2.519 2.680 . 0 0 "[ . 1 . 2]" 1
538 1 55 LEU HA 1 56 ASP H 2.930 . 3.400 2.174 2.124 2.225 . 0 0 "[ . 1 . 2]" 1
539 1 49 GLN H 1 49 GLN HB2 2.840 . 3.400 2.520 2.406 2.579 . 0 0 "[ . 1 . 2]" 1
540 1 50 ALA HA 1 51 ASP H 2.730 . 2.800 2.220 2.171 2.299 . 0 0 "[ . 1 . 2]" 1
541 1 52 PHE HA 1 53 TYR H 2.720 . 2.800 2.223 2.135 2.298 . 0 0 "[ . 1 . 2]" 1
542 1 56 ASP HA 1 57 VAL H 2.670 . 2.800 2.155 2.134 2.199 . 0 0 "[ . 1 . 2]" 1
543 1 51 ASP HA 1 52 PHE H 2.590 . 2.800 2.170 2.125 2.315 . 0 0 "[ . 1 . 2]" 1
544 1 55 LEU HA 1 55 LEU MD1 4.470 . 5.500 2.984 2.838 3.082 . 0 0 "[ . 1 . 2]" 1
545 1 27 ALA HA 1 57 VAL MG2 4.390 . 5.500 2.131 1.926 2.544 . 0 0 "[ . 1 . 2]" 1
546 1 55 LEU HA 1 55 LEU MD2 4.200 . 5.500 2.050 1.935 2.108 . 0 0 "[ . 1 . 2]" 1
547 1 52 PHE HA 1 52 PHE HE1 4.060 . 5.500 5.160 5.110 5.203 . 0 0 "[ . 1 . 2]" 1
548 1 57 VAL HA 1 59 GLU H 4.010 . 5.500 4.683 4.155 5.197 . 0 0 "[ . 1 . 2]" 1
549 1 3 THR H 1 53 TYR HA . . 3.400 2.332 2.199 2.561 . 0 0 "[ . 1 . 2]" 1
550 1 54 LYS HB2 1 55 LEU H 3.950 . 5.500 3.863 3.107 4.120 . 0 0 "[ . 1 . 2]" 1
551 1 56 ASP HB3 1 59 GLU H 3.940 . 5.500 2.770 2.560 3.038 . 0 0 "[ . 1 . 2]" 1
552 1 2 VAL MG1 1 53 TYR HA 3.940 . 5.500 4.407 2.697 5.549 0.049 15 0 "[ . 1 . 2]" 1
553 1 25 PHE HD1 1 55 LEU HB2 . . 3.400 3.487 3.472 3.499 0.099 10 0 "[ . 1 . 2]" 1
554 1 49 GLN HA 1 49 GLN QG . . 3.400 2.671 2.429 2.985 . 0 0 "[ . 1 . 2]" 1
555 1 5 PHE HB3 1 55 LEU HA 3.830 . 5.500 3.964 3.617 4.243 . 0 0 "[ . 1 . 2]" 1
556 1 23 VAL HA 1 53 TYR HB2 3.810 . 5.500 3.537 3.405 3.658 . 0 0 "[ . 1 . 2]" 1
557 1 24 ASP HB3 1 54 LYS HA 3.700 . 5.500 3.289 2.987 4.984 . 0 0 "[ . 1 . 2]" 1
558 1 52 PHE H 1 52 PHE HB2 . . 3.400 2.487 2.417 2.649 . 0 0 "[ . 1 . 2]" 1
559 1 50 ALA MB 1 52 PHE HE1 3.640 . 5.500 2.568 2.231 2.833 . 0 0 "[ . 1 . 2]" 1
560 1 5 PHE HD2 1 55 LEU MD2 3.580 . 5.500 2.297 2.061 2.570 . 0 0 "[ . 1 . 2]" 1
561 1 47 TYR HB3 1 50 ALA MB 3.490 . 5.500 2.380 2.089 2.705 . 0 0 "[ . 1 . 2]" 1
562 1 27 ALA MB 1 57 VAL MG2 3.440 . 5.500 3.491 3.300 3.889 . 0 0 "[ . 1 . 2]" 1
563 1 51 ASP HA 1 52 PHE HD1 3.430 . 5.500 2.886 2.618 3.016 . 0 0 "[ . 1 . 2]" 1
564 1 11 PHE HE2 1 55 LEU HB2 3.350 . 3.400 3.269 2.618 3.413 0.013 1 0 "[ . 1 . 2]" 1
565 1 55 LEU HA 1 55 LEU HG 3.270 . 5.500 3.719 3.686 3.728 . 0 0 "[ . 1 . 2]" 1
566 1 51 ASP HA 1 51 ASP HB3 2.960 . 3.400 2.473 2.463 2.489 . 0 0 "[ . 1 . 2]" 1
567 1 49 GLN HA 1 49 GLN HB2 2.930 . 3.400 3.024 3.016 3.026 . 0 0 "[ . 1 . 2]" 1
568 1 49 GLN HA 1 49 GLN HB3 2.370 . 2.800 2.480 2.455 2.550 . 0 0 "[ . 1 . 2]" 1
569 1 5 PHE H 1 5 PHE QE 4.680 . 5.500 5.422 5.251 5.522 0.022 3 0 "[ . 1 . 2]" 1
570 1 5 PHE H 1 55 LEU QD 4.610 . 5.500 3.901 3.630 4.095 . 0 0 "[ . 1 . 2]" 1
571 1 7 THR H 1 8 ALA H 4.590 . 5.500 4.335 4.194 4.517 . 0 0 "[ . 1 . 2]" 1
572 1 3 THR H 1 3 THR MG 4.510 . 5.500 3.954 3.912 3.965 . 0 0 "[ . 1 . 2]" 1
573 1 1 MET QB 1 2 VAL H 4.450 . 5.500 2.709 1.980 3.708 . 0 0 "[ . 1 . 2]" 1
574 1 3 THR H 1 53 TYR QD 4.390 . 5.500 2.994 2.733 3.238 . 0 0 "[ . 1 . 2]" 1
575 1 8 ALA MB 1 9 SER H 4.320 . 5.500 2.959 2.820 3.448 . 0 0 "[ . 1 . 2]" 1
576 1 3 THR HB 1 4 GLN H 4.230 . 5.500 3.718 3.575 3.910 . 0 0 "[ . 1 . 2]" 1
577 1 5 PHE HB2 1 6 LYS H 4.110 . 5.500 4.301 3.861 4.514 . 0 0 "[ . 1 . 2]" 1
578 1 9 SER H 1 10 GLU H 4.010 . 5.500 2.566 1.798 2.678 0.002 14 0 "[ . 1 . 2]" 1
579 1 5 PHE H 1 53 TYR HB3 4.000 . 5.500 5.449 5.112 5.546 0.046 14 0 "[ . 1 . 2]" 1
580 1 2 VAL H 1 2 VAL HB 3.970 . 5.500 3.173 2.584 3.642 . 0 0 "[ . 1 . 2]" 1
581 1 7 THR H 1 7 THR MG 3.940 . 5.500 3.100 2.717 3.995 . 0 0 "[ . 1 . 2]" 1
582 1 3 THR H 1 54 LYS H 3.900 . 5.500 3.988 3.665 4.350 . 0 0 "[ . 1 . 2]" 1
583 1 3 THR MG 1 4 GLN H 3.880 . 5.500 1.970 1.867 2.183 . 0 0 "[ . 1 . 2]" 1
584 1 5 PHE QD 1 6 LYS H 3.870 . 5.500 3.683 3.478 3.891 . 0 0 "[ . 1 . 2]" 1
585 1 3 THR H 1 53 TYR HB3 3.840 . 5.500 4.489 4.174 4.648 . 0 0 "[ . 1 . 2]" 1
586 1 2 VAL MG1 1 3 THR H 3.830 . 5.500 3.088 2.030 3.863 . 0 0 "[ . 1 . 2]" 1
587 1 4 GLN H 1 4 GLN QG 3.800 . 5.500 2.375 1.990 3.350 . 0 0 "[ . 1 . 2]" 1
588 1 5 PHE H 1 55 LEU HA 3.790 . 5.500 3.117 3.020 3.228 . 0 0 "[ . 1 . 2]" 1
589 1 5 PHE H 1 5 PHE QD 3.740 . 5.500 3.805 3.701 3.882 . 0 0 "[ . 1 . 2]" 1
590 1 6 LYS H 1 6 LYS QG 3.680 . 5.500 2.813 2.314 4.116 . 0 0 "[ . 1 . 2]" 1
591 1 5 PHE HB2 1 7 THR H 3.630 . 5.500 5.102 4.740 5.699 0.199 17 0 "[ . 1 . 2]" 1
592 1 5 PHE H 1 55 LEU HB2 3.600 . 5.500 5.529 5.505 5.551 0.051 18 0 "[ . 1 . 2]" 1
593 1 4 GLN QG 1 5 PHE H 3.590 . 5.500 3.967 3.796 4.482 . 0 0 "[ . 1 . 2]" 1
594 1 1 MET HA 1 2 VAL H 3.570 . 5.500 2.619 2.212 3.568 . 0 0 "[ . 1 . 2]" 1
595 1 8 ALA H 1 8 ALA MB 3.410 . 5.500 2.186 2.101 2.304 . 0 0 "[ . 1 . 2]" 1
596 1 6 LYS H 1 6 LYS QB 3.290 . 3.400 2.440 2.251 2.575 . 0 0 "[ . 1 . 2]" 1
597 1 6 LYS HB2 1 7 THR H 3.190 . 3.400 2.951 2.259 3.423 0.023 6 0 "[ . 1 . 2]" 1
598 1 3 THR H 1 3 THR HB 3.140 . 3.400 2.871 2.797 2.890 . 0 0 "[ . 1 . 2]" 1
599 1 6 LYS H 1 7 THR H 3.110 . 3.400 2.133 1.901 2.445 . 0 0 "[ . 1 . 2]" 1
600 1 4 GLN H 1 4 GLN QB 3.060 . 3.400 2.588 2.496 2.968 . 0 0 "[ . 1 . 2]" 1
601 1 5 PHE HA 1 6 LYS H 2.900 . 3.400 2.162 2.108 2.260 . 0 0 "[ . 1 . 2]" 1
602 1 4 GLN H 1 4 GLN HA 2.890 . 3.400 2.930 2.916 2.953 . 0 0 "[ . 1 . 2]" 1
603 1 7 THR H 1 7 THR HA 2.890 . 3.400 2.939 2.916 2.950 . 0 0 "[ . 1 . 2]" 1
604 1 3 THR HA 1 4 GLN H 2.820 . 3.400 2.340 2.241 2.422 . 0 0 "[ . 1 . 2]" 1
605 1 4 GLN HA 1 5 PHE H 2.710 . 2.800 2.593 2.403 2.720 . 0 0 "[ . 1 . 2]" 1
606 1 2 VAL HA 1 3 THR H 2.660 . 2.800 2.204 2.139 2.262 . 0 0 "[ . 1 . 2]" 1
607 1 7 THR HA 1 8 ALA H 2.530 . 2.800 2.224 2.146 2.473 . 0 0 "[ . 1 . 2]" 1
608 1 77 LEU H 1 78 PHE H 4.360 . 5.500 4.488 4.437 4.522 . 0 0 "[ . 1 . 2]" 1
609 1 69 VAL MG1 1 71 ALA H 4.340 . 5.500 2.797 1.861 3.375 . 0 0 "[ . 1 . 2]" 1
610 1 73 PRO QG 1 74 THR H 4.290 . 5.500 3.458 3.086 4.603 . 0 0 "[ . 1 . 2]" 1
611 1 20 LEU MD1 1 78 PHE H 4.270 . 5.500 2.268 1.914 4.499 . 0 0 "[ . 1 . 2]" 1
612 1 74 THR HB 1 75 LEU H 4.190 . 5.500 3.771 3.520 3.939 . 0 0 "[ . 1 . 2]" 1
613 1 24 ASP HA 1 76 LEU H 4.120 . 5.500 3.170 2.825 3.523 . 0 0 "[ . 1 . 2]" 1
614 1 20 LEU HA 1 78 PHE H 4.060 . 5.500 3.859 3.695 4.027 . 0 0 "[ . 1 . 2]" 1
615 1 22 VAL HA 1 78 PHE H 4.000 . 5.500 4.272 3.788 4.617 . 0 0 "[ . 1 . 2]" 1
616 1 69 VAL HA 1 71 ALA H 3.960 . 5.500 3.235 3.040 3.754 . 0 0 "[ . 1 . 2]" 1
617 1 76 LEU H 1 76 LEU MD2 3.950 . 5.500 3.590 3.417 3.748 . 0 0 "[ . 1 . 2]" 1
618 1 25 PHE HE1 1 76 LEU H 3.890 . 5.500 4.379 4.149 4.478 . 0 0 "[ . 1 . 2]" 1
619 1 77 LEU H 1 84 VAL H 3.800 . 5.500 4.636 4.385 4.894 . 0 0 "[ . 1 . 2]" 1
620 1 72 MET H 1 72 MET QG 3.800 . 5.500 3.143 1.992 3.490 . 0 0 "[ . 1 . 2]" 1
621 1 23 VAL HB 1 76 LEU H 3.760 . 5.500 4.176 4.037 4.478 . 0 0 "[ . 1 . 2]" 1
622 1 79 LYS H 1 84 VAL MG1 3.750 . 5.500 3.256 1.929 4.495 . 0 0 "[ . 1 . 2]" 1
623 1 79 LYS H 1 84 VAL MG2 4.420 . 5.500 2.448 1.851 4.355 . 0 0 "[ . 1 . 2]" 1
624 1 78 PHE HD1 1 79 LYS H 3.740 . 5.500 4.341 4.244 4.423 . 0 0 "[ . 1 . 2]" 1
625 1 79 LYS H 1 83 GLU HA 3.700 . 5.500 3.412 3.168 3.671 . 0 0 "[ . 1 . 2]" 1
626 1 79 LYS H 1 84 VAL H 3.660 . 5.500 4.422 4.296 4.557 . 0 0 "[ . 1 . 2]" 1
627 1 19 LYS H 1 80 ASN H . . 3.400 3.474 3.440 3.510 0.110 9 0 "[ . 1 . 2]" 1
628 1 75 LEU H 1 88 VAL HA 3.630 . 5.500 2.171 1.900 2.553 . 0 0 "[ . 1 . 2]" 1
629 1 76 LEU HB2 1 77 LEU H 3.570 . 5.500 4.245 4.182 4.295 . 0 0 "[ . 1 . 2]" 1
630 1 74 THR MG 1 75 LEU H 3.530 . 5.500 1.874 1.798 2.021 0.002 13 0 "[ . 1 . 2]" 1
631 1 77 LEU H 1 77 LEU MD1 3.510 . 5.500 2.117 2.035 2.172 . 0 0 "[ . 1 . 2]" 1
632 1 77 LEU H 1 85 ALA H . . 3.400 3.250 2.908 3.477 0.077 5 0 "[ . 1 . 2]" 1
633 1 77 LEU HB3 1 78 PHE H 3.460 . 5.500 2.970 2.766 3.187 . 0 0 "[ . 1 . 2]" 1
634 1 79 LYS QG 1 80 ASN H 3.450 . 5.500 3.953 3.815 4.428 . 0 0 "[ . 1 . 2]" 1
635 1 75 LEU H 1 87 VAL HB 3.450 . 5.500 4.605 3.978 5.563 0.063 16 0 "[ . 1 . 2]" 1
636 1 79 LYS HB3 1 80 ASN H 3.370 . 3.400 3.200 2.962 3.404 0.004 9 0 "[ . 1 . 2]" 1
637 1 76 LEU H 1 76 LEU HB2 3.370 . 3.400 2.574 2.455 2.642 . 0 0 "[ . 1 . 2]" 1
638 1 78 PHE H 1 78 PHE QD 3.350 . 3.400 3.303 2.999 3.411 0.011 20 0 "[ . 1 . 2]" 1
639 1 76 LEU H 1 76 LEU HG 3.310 . 3.400 3.142 3.061 3.220 . 0 0 "[ . 1 . 2]" 1
640 1 79 LYS H 1 82 LYS H 3.280 . 3.400 3.392 3.317 3.452 0.052 18 0 "[ . 1 . 2]" 1
641 1 18 ASP H 1 80 ASN H 3.270 . 3.400 3.144 3.005 3.355 . 0 0 "[ . 1 . 2]" 1
642 1 74 THR H 1 74 THR HB 3.220 . 3.400 2.936 2.511 3.065 . 0 0 "[ . 1 . 2]" 1
643 1 78 PHE HB3 1 79 LYS H 3.080 . 3.400 3.392 3.332 3.432 0.032 10 0 "[ . 1 . 2]" 1
644 1 79 LYS H 1 79 LYS HB2 3.010 . 3.400 2.496 2.380 2.609 . 0 0 "[ . 1 . 2]" 1
645 1 75 LEU H 1 75 LEU HG 3.010 . 3.400 2.900 2.697 3.395 . 0 0 "[ . 1 . 2]" 1
646 1 71 ALA HA 1 72 MET H 2.780 . 3.400 2.852 2.509 3.388 . 0 0 "[ . 1 . 2]" 1
647 1 75 LEU HA 1 76 LEU H 2.770 . 3.400 2.141 2.118 2.153 . 0 0 "[ . 1 . 2]" 1
648 1 77 LEU HA 1 78 PHE H 2.770 . 3.400 2.209 2.157 2.270 . 0 0 "[ . 1 . 2]" 1
649 1 74 THR HA 1 75 LEU H 2.660 . 2.800 2.323 2.246 2.418 . 0 0 "[ . 1 . 2]" 1
650 1 73 PRO HA 1 74 THR H 2.650 . 2.800 2.691 2.139 2.813 0.013 18 0 "[ . 1 . 2]" 1
651 1 77 LEU H 1 77 LEU HB2 2.640 . 2.800 2.527 2.496 2.553 . 0 0 "[ . 1 . 2]" 1
652 1 80 ASN H 1 80 ASN HA 2.610 . 2.800 2.282 2.271 2.291 . 0 0 "[ . 1 . 2]" 1
653 1 78 PHE HA 1 79 LYS H 2.600 . 2.800 2.216 2.191 2.244 . 0 0 "[ . 1 . 2]" 1
654 1 79 LYS HA 1 80 ASN H 2.550 . 2.800 2.173 2.149 2.208 . 0 0 "[ . 1 . 2]" 1
655 1 76 LEU HA 1 77 LEU H 2.480 . 2.800 2.155 2.139 2.178 . 0 0 "[ . 1 . 2]" 1
656 1 22 VAL HA 1 77 LEU MD2 4.830 . 5.500 4.640 4.217 4.845 . 0 0 "[ . 1 . 2]" 1
657 1 75 LEU MD2 1 76 LEU H 4.690 . 5.500 3.575 3.133 3.738 . 0 0 "[ . 1 . 2]" 1
658 1 75 LEU HA 1 75 LEU MD2 4.550 . 5.500 2.080 1.916 2.183 . 0 0 "[ . 1 . 2]" 1
659 1 76 LEU HA 1 76 LEU MD1 4.540 . 5.500 3.758 3.740 3.769 . 0 0 "[ . 1 . 2]" 1
660 1 78 PHE HA 1 84 VAL MG2 4.000 . 5.500 2.243 1.798 4.703 0.002 10 0 "[ . 1 . 2]" 1
661 1 78 PHE HA 1 84 VAL MG1 4.290 . 5.500 3.814 2.336 4.648 . 0 0 "[ . 1 . 2]" 1
662 1 77 LEU HA 1 77 LEU MD2 4.150 . 5.500 3.799 3.789 3.806 . 0 0 "[ . 1 . 2]" 1
663 1 21 VAL MG1 1 78 PHE QB 4.140 . 5.500 4.411 3.897 4.644 . 0 0 "[ . 1 . 2]" 1
664 1 76 LEU HA 1 76 LEU HG 4.080 . 5.500 3.238 3.147 3.328 . 0 0 "[ . 1 . 2]" 1
665 1 77 LEU H 1 77 LEU HG 4.060 . 5.500 3.897 3.844 3.949 . 0 0 "[ . 1 . 2]" 1
666 1 78 PHE HA 1 83 GLU QG 3.970 . 5.500 4.058 3.734 4.515 . 0 0 "[ . 1 . 2]" 1
667 1 74 THR HA 1 89 GLY H 3.940 . 5.500 2.482 1.814 2.919 . 0 0 "[ . 1 . 2]" 1
668 1 20 LEU MD1 1 79 LYS QD 3.900 . 5.500 2.834 2.110 3.674 . 0 0 "[ . 1 . 2]" 1
669 1 77 LEU HA 1 77 LEU MD1 3.860 . 5.500 2.931 2.876 2.983 . 0 0 "[ . 1 . 2]" 1
670 1 21 VAL HB 1 77 LEU HA 3.850 . 5.500 5.027 4.643 5.330 . 0 0 "[ . 1 . 2]" 1
671 1 77 LEU MD2 1 102 ASN QD 3.850 . 5.500 2.775 1.895 3.890 . 0 0 "[ . 1 . 2]" 1
672 1 76 LEU HA 1 87 VAL H 3.850 . 5.500 3.701 3.446 3.937 . 0 0 "[ . 1 . 2]" 1
673 1 26 TYR HB2 1 73 PRO QD 3.820 . 5.500 5.381 4.729 5.539 0.039 3 0 "[ . 1 . 2]" 1
674 1 25 PHE HB3 1 74 THR HB 3.820 . 5.500 3.861 3.534 4.057 . 0 0 "[ . 1 . 2]" 1
675 1 72 MET HA 1 74 THR H 3.810 . 5.500 4.184 2.726 4.686 . 0 0 "[ . 1 . 2]" 1
676 1 78 PHE QB 1 79 LYS H 3.760 . 5.500 3.256 3.198 3.290 . 0 0 "[ . 1 . 2]" 1
677 1 77 LEU HB2 1 85 ALA H . . 2.800 2.358 2.268 2.562 . 0 0 "[ . 1 . 2]" 1
678 1 25 PHE HE1 1 76 LEU MD1 3.720 . 5.500 2.321 2.190 2.444 . 0 0 "[ . 1 . 2]" 1
679 1 26 TYR HA 1 72 MET QB 3.720 . 5.500 3.995 2.174 4.965 . 0 0 "[ . 1 . 2]" 1
680 1 36 ILE MD 1 73 PRO HB2 3.710 . 5.500 3.122 2.245 4.865 . 0 0 "[ . 1 . 2]" 1
681 1 78 PHE H 1 78 PHE QB 3.700 . 5.500 2.746 2.673 2.830 . 0 0 "[ . 1 . 2]" 1
682 1 72 MET HA 1 72 MET QG . . 3.400 3.445 3.330 3.503 0.103 19 0 "[ . 1 . 2]" 1
683 1 24 ASP HB2 1 40 ILE QG 3.630 . 5.500 3.796 3.431 4.499 . 0 0 "[ . 1 . 2]" 1
684 1 76 LEU MD1 1 78 PHE HZ 3.610 . 5.500 2.003 1.935 2.125 . 0 0 "[ . 1 . 2]" 1
685 1 78 PHE HA 1 78 PHE QD 3.600 . 5.500 2.631 2.525 2.826 . 0 0 "[ . 1 . 2]" 1
686 1 74 THR HA 1 74 THR MG 3.530 . 5.500 2.373 2.282 2.475 . 0 0 "[ . 1 . 2]" 1
687 1 24 ASP HA 1 75 LEU MD2 3.530 . 5.500 2.963 2.545 3.058 . 0 0 "[ . 1 . 2]" 1
688 1 22 VAL MG2 1 77 LEU MD1 3.460 . 5.500 3.539 2.934 4.050 . 0 0 "[ . 1 . 2]" 1
689 1 76 LEU HA 1 76 LEU MD2 3.430 . 5.500 1.968 1.863 2.032 . 0 0 "[ . 1 . 2]" 1
690 1 76 LEU HA 1 76 LEU HB3 2.850 . 3.400 2.512 2.481 2.551 . 0 0 "[ . 1 . 2]" 1
691 1 77 LEU HA 1 77 LEU HG . . 3.400 2.560 2.538 2.576 . 0 0 "[ . 1 . 2]" 1
692 1 78 PHE HA 1 84 VAL H 3.340 . 3.400 3.413 3.401 3.427 0.027 19 0 "[ . 1 . 2]" 1
693 1 21 VAL HB 1 78 PHE QB 3.210 . 3.400 3.175 2.760 3.408 0.008 17 0 "[ . 1 . 2]" 1
694 1 74 THR MG 1 76 LEU HG 3.170 . 3.400 2.823 2.509 3.064 . 0 0 "[ . 1 . 2]" 1
695 1 77 LEU HB3 1 77 LEU MD2 . . 2.800 2.282 2.181 2.366 . 0 0 "[ . 1 . 2]" 1
696 1 78 PHE HA 1 83 GLU HA 3.030 . 3.400 2.363 2.058 2.643 . 0 0 "[ . 1 . 2]" 1
697 1 73 PRO HA 1 73 PRO QG 3.020 . 3.400 3.495 3.478 3.521 0.121 13 0 "[ . 1 . 2]" 1
698 1 79 LYS HA 1 79 LYS QG 2.990 . 3.400 2.384 2.251 2.737 . 0 0 "[ . 1 . 2]" 1
699 1 77 LEU HA 1 77 LEU HB3 2.980 . 3.400 2.481 2.463 2.500 . 0 0 "[ . 1 . 2]" 1
700 1 74 THR HA 1 88 VAL HA 2.890 . 3.400 1.932 1.813 2.023 . 0 0 "[ . 1 . 2]" 1
701 1 86 LYS H 1 87 VAL H 4.760 . 5.500 4.148 3.844 4.458 . 0 0 "[ . 1 . 2]" 1
702 1 75 LEU H 1 89 GLY H 4.590 . 5.500 2.737 2.093 3.738 . 0 0 "[ . 1 . 2]" 1
703 1 78 PHE HB3 1 81 GLY H 4.510 . 5.500 4.649 4.311 5.003 . 0 0 "[ . 1 . 2]" 1
704 1 78 PHE HB3 1 83 GLU H 4.410 . 5.500 5.111 4.978 5.230 . 0 0 "[ . 1 . 2]" 1
705 1 86 LYS H 1 86 LYS QG 4.330 . 5.500 2.611 2.065 3.316 . 0 0 "[ . 1 . 2]" 1
706 1 78 PHE HA 1 82 LYS H 4.170 . 5.500 4.542 4.344 4.651 . 0 0 "[ . 1 . 2]" 1
707 1 78 PHE QD 1 84 VAL H 4.130 . 5.500 3.923 3.722 4.226 . 0 0 "[ . 1 . 2]" 1
708 1 78 PHE HB3 1 82 LYS H 4.040 . 5.500 3.553 3.141 3.747 . 0 0 "[ . 1 . 2]" 1
709 1 87 VAL H 1 88 VAL H 3.910 . 5.500 3.705 3.261 4.048 . 0 0 "[ . 1 . 2]" 1
710 1 82 LYS QG 1 83 GLU H 3.900 . 5.500 3.792 3.711 3.886 . 0 0 "[ . 1 . 2]" 1
711 1 78 PHE HA 1 83 GLU H 3.890 . 5.500 4.535 4.442 4.654 . 0 0 "[ . 1 . 2]" 1
712 1 78 PHE HA 1 85 ALA H 3.850 . 5.500 4.420 4.122 4.700 . 0 0 "[ . 1 . 2]" 1
713 1 88 VAL HB 1 89 GLY H 3.790 . 5.500 4.472 4.229 4.629 . 0 0 "[ . 1 . 2]" 1
714 1 87 VAL MG1 1 89 GLY H 3.700 . 5.500 3.808 3.238 4.601 . 0 0 "[ . 1 . 2]" 1
715 1 83 GLU H 1 84 VAL H 3.660 . 5.500 4.476 4.451 4.498 . 0 0 "[ . 1 . 2]" 1
716 1 84 VAL H 1 84 VAL HB 3.660 . 5.500 3.400 2.830 3.961 . 0 0 "[ . 1 . 2]" 1
717 1 82 LYS H 1 83 GLU H 3.650 . 5.500 4.206 4.168 4.249 . 0 0 "[ . 1 . 2]" 1
718 1 87 VAL H 1 87 VAL MG2 3.640 . 5.500 2.946 2.636 3.899 . 0 0 "[ . 1 . 2]" 1
719 1 78 PHE HD1 1 83 GLU H 3.520 . 5.500 4.413 4.175 4.594 . 0 0 "[ . 1 . 2]" 1
720 1 77 LEU HB2 1 84 VAL H 3.510 . 5.500 4.203 4.015 4.439 . 0 0 "[ . 1 . 2]" 1
721 1 84 VAL H 1 84 VAL MG2 3.460 . 5.500 2.652 2.262 3.970 . 0 0 "[ . 1 . 2]" 1
722 1 84 VAL H 1 84 VAL MG1 3.890 . 5.500 3.660 2.265 4.023 . 0 0 "[ . 1 . 2]" 1
723 1 84 VAL MG2 1 85 ALA H 3.460 . 5.500 2.768 1.859 3.620 . 0 0 "[ . 1 . 2]" 1
724 1 81 GLY H 1 82 LYS H 3.430 . 5.500 2.818 2.732 3.154 . 0 0 "[ . 1 . 2]" 1
725 1 83 GLU HA 1 85 ALA H 3.390 . 5.500 4.513 4.238 4.818 . 0 0 "[ . 1 . 2]" 1
726 1 84 VAL HB 1 85 ALA H 3.390 . 3.400 2.752 1.979 3.678 0.278 5 0 "[ . 1 . 2]" 1
727 1 81 GLY QA 1 82 LYS H 3.360 . 3.400 2.839 2.643 2.901 . 0 0 "[ . 1 . 2]" 1
728 1 85 ALA MB 1 86 LYS H 3.340 . 3.400 2.417 1.962 2.759 . 0 0 "[ . 1 . 2]" 1
729 1 80 ASN H 1 81 GLY H 3.250 . 3.400 3.112 2.973 3.416 0.016 9 0 "[ . 1 . 2]" 1
730 1 88 VAL H 1 88 VAL MG1 3.170 . 3.400 2.059 1.937 2.287 . 0 0 "[ . 1 . 2]" 1
731 1 86 LYS QB 1 87 VAL H 3.150 . 3.400 3.281 2.930 3.422 0.022 8 0 "[ . 1 . 2]" 1
732 1 87 VAL H 1 87 VAL HB 3.140 . 3.400 2.845 2.652 3.122 . 0 0 "[ . 1 . 2]" 1
733 1 82 LYS H 1 82 LYS QG 3.130 . 3.400 2.912 2.644 3.268 . 0 0 "[ . 1 . 2]" 1
734 1 83 GLU QG 1 84 VAL H 3.090 . 3.400 1.763 1.736 1.798 0.064 14 0 "[ . 1 . 2]" 1
735 1 80 ASN HA 1 81 GLY H 3.060 . 3.400 2.536 2.303 2.647 . 0 0 "[ . 1 . 2]" 1
736 1 82 LYS H 1 82 LYS HA 2.960 . 3.400 2.938 2.906 2.946 . 0 0 "[ . 1 . 2]" 1
737 1 88 VAL H 1 88 VAL HA 2.840 . 3.400 2.814 2.751 2.878 . 0 0 "[ . 1 . 2]" 1
738 1 85 ALA H 1 85 ALA HA 2.830 . 3.400 2.850 2.835 2.902 . 0 0 "[ . 1 . 2]" 1
739 1 86 LYS H 1 86 LYS QB 2.820 . 3.400 3.000 2.424 3.336 . 0 0 "[ . 1 . 2]" 1
740 1 83 GLU QG 1 85 ALA H 2.820 . 3.400 3.227 3.022 3.427 0.027 12 0 "[ . 1 . 2]" 1
741 1 84 VAL H 1 85 ALA H . . 2.800 2.253 2.061 2.491 . 0 0 "[ . 1 . 2]" 1
742 1 88 VAL H 1 88 VAL HB 2.800 . 2.800 2.676 2.536 2.765 . 0 0 "[ . 1 . 2]" 1
743 1 82 LYS H 1 82 LYS HB2 2.690 . 2.800 2.673 2.602 2.819 0.019 9 0 "[ . 1 . 2]" 1
744 1 83 GLU HA 1 84 VAL H 2.650 . 2.800 2.565 2.511 2.630 . 0 0 "[ . 1 . 2]" 1
745 1 88 VAL HA 1 89 GLY H 2.630 . 2.800 2.238 2.131 2.441 . 0 0 "[ . 1 . 2]" 1
746 1 86 LYS HA 1 87 VAL H 2.610 . 2.800 2.150 2.129 2.203 . 0 0 "[ . 1 . 2]" 1
747 1 87 VAL HA 1 88 VAL H 2.520 . 2.800 2.254 2.145 2.354 . 0 0 "[ . 1 . 2]" 1
748 1 85 ALA HA 1 86 LYS H 2.520 . 2.800 2.395 2.268 2.789 . 0 0 "[ . 1 . 2]" 1
749 1 82 LYS HB3 1 83 GLU H 2.370 . 2.800 1.789 1.771 1.820 0.029 9 0 "[ . 1 . 2]" 1
750 1 82 LYS HA 1 83 GLU H 2.340 . 2.800 2.872 2.828 2.909 0.109 2 0 "[ . 1 . 2]" 1
751 1 84 VAL MG2 1 102 ASN QD 4.780 . 5.500 3.902 1.929 5.146 . 0 0 "[ . 1 . 2]" 1
752 1 72 MET H 1 88 VAL MG2 4.690 . 5.500 3.352 2.914 4.544 . 0 0 "[ . 1 . 2]" 1
753 1 87 VAL HA 1 88 VAL MG1 4.290 . 5.500 3.644 3.456 3.744 . 0 0 "[ . 1 . 2]" 1
754 1 78 PHE HB3 1 83 GLU HA 4.060 . 5.500 3.488 3.281 3.670 . 0 0 "[ . 1 . 2]" 1
755 1 84 VAL HA 1 85 ALA H 3.880 . 5.500 3.560 3.544 3.578 . 0 0 "[ . 1 . 2]" 1
756 1 73 PRO QG 1 89 GLY QA 3.820 . 5.500 3.491 2.928 4.576 . 0 0 "[ . 1 . 2]" 1
757 1 74 THR HA 1 88 VAL HB 3.820 . 5.500 3.652 3.238 4.035 . 0 0 "[ . 1 . 2]" 1
758 1 78 PHE HD1 1 83 GLU HA . . 3.400 1.957 1.851 2.173 . 0 0 "[ . 1 . 2]" 1
759 1 79 LYS HB2 1 84 VAL MG2 3.490 . 5.500 2.873 1.971 3.764 . 0 0 "[ . 1 . 2]" 1
760 1 87 VAL HA 1 88 VAL HB 3.470 . 5.500 4.887 4.721 5.046 . 0 0 "[ . 1 . 2]" 1
761 1 82 LYS HA 1 82 LYS QG 3.330 . 3.400 2.632 2.423 3.032 . 0 0 "[ . 1 . 2]" 1
762 1 82 LYS QE 1 82 LYS QG 3.210 . 3.400 2.342 2.138 2.800 . 0 0 "[ . 1 . 2]" 1
763 1 87 VAL HA 1 87 VAL MG1 3.190 . 3.400 2.389 2.268 3.214 . 0 0 "[ . 1 . 2]" 1
764 1 88 VAL HA 1 88 VAL MG2 3.200 . 3.400 2.417 2.285 2.510 . 0 0 "[ . 1 . 2]" 1
765 1 84 VAL HA 1 84 VAL MG1 3.190 . 3.400 2.259 2.081 3.175 . 0 0 "[ . 1 . 2]" 1
766 1 86 LYS HA 1 86 LYS QG 3.110 . 3.400 3.111 2.326 3.481 0.081 10 0 "[ . 1 . 2]" 1
767 1 77 LEU MD1 1 85 ALA MB 2.970 . 3.400 2.963 2.488 3.384 . 0 0 "[ . 1 . 2]" 1
768 1 77 LEU HB2 1 84 VAL MG2 2.920 . 3.400 2.773 1.977 3.436 0.036 5 0 "[ . 1 . 2]" 1
769 1 84 VAL HA 1 84 VAL HB 2.720 . 2.800 2.739 2.382 2.957 0.157 9 0 "[ . 1 . 2]" 1
770 1 83 GLU HA 1 83 GLU QG 2.620 . 2.800 2.486 2.425 2.809 0.009 7 0 "[ . 1 . 2]" 1
771 1 6 LYS HA 1 7 THR H 3.990 . 5.500 3.483 3.406 3.566 . 0 0 "[ . 1 . 2]" 1
772 1 2 VAL HA 1 53 TYR HA 3.980 . 5.500 3.590 3.215 3.961 . 0 0 "[ . 1 . 2]" 1
773 1 2 VAL HA 1 52 PHE HB3 3.960 . 5.500 4.296 3.891 4.886 . 0 0 "[ . 1 . 2]" 1
774 1 3 THR HA 1 4 GLN QB 3.890 . 5.500 4.572 4.518 4.642 . 0 0 "[ . 1 . 2]" 1
775 1 9 SER QB 1 10 GLU H 3.670 . 5.500 3.051 2.896 3.173 . 0 0 "[ . 1 . 2]" 1
776 1 3 THR HB 1 53 TYR QD 3.650 . 5.500 2.162 1.920 2.505 . 0 0 "[ . 1 . 2]" 1
777 1 4 GLN HA 1 4 GLN QG 3.640 . 5.500 2.668 2.503 3.455 . 0 0 "[ . 1 . 2]" 1
778 1 6 LYS HA 1 6 LYS QG 3.620 . 5.500 2.877 2.559 2.977 . 0 0 "[ . 1 . 2]" 1
779 1 9 SER HA 1 12 ASP H 3.580 . 5.500 3.821 3.641 4.032 . 0 0 "[ . 1 . 2]" 1
780 1 2 VAL HA 1 2 VAL MG2 3.550 . 5.500 2.311 2.176 2.459 . 0 0 "[ . 1 . 2]" 1
781 1 3 THR MG 1 5 PHE QE 3.500 . 5.500 3.890 3.608 4.332 . 0 0 "[ . 1 . 2]" 1
782 1 7 THR HB 1 8 ALA H 3.290 . 3.400 3.226 2.308 3.449 0.049 16 0 "[ . 1 . 2]" 1
783 1 4 GLN HA 1 54 LYS HB3 3.270 . 3.400 3.474 3.440 3.518 0.118 15 0 "[ . 1 . 2]" 1
784 1 6 LYS HA 1 6 LYS QD 3.160 . 3.400 2.000 1.875 2.645 . 0 0 "[ . 1 . 2]" 1
785 1 5 PHE HA 1 5 PHE QD 3.120 . 3.400 1.908 1.819 1.983 . 0 0 "[ . 1 . 2]" 1
786 1 7 THR HA 1 7 THR MG 3.000 . 3.400 2.370 2.230 2.458 . 0 0 "[ . 1 . 2]" 1
787 1 6 LYS QB 1 6 LYS QD 2.560 . 2.800 2.385 2.259 2.800 . 0 0 "[ . 1 . 2]" 1
788 1 5 PHE HZ 1 14 ALA MB . . 3.400 2.360 2.081 2.591 . 0 0 "[ . 1 . 2]" 1
789 1 15 ILE HB 1 78 PHE QD 3.930 . 5.500 4.364 4.227 4.539 . 0 0 "[ . 1 . 2]" 1
790 1 5 PHE HZ 1 11 PHE HA 3.870 . 5.500 3.232 2.877 3.491 . 0 0 "[ . 1 . 2]" 1
791 1 5 PHE HA 1 10 GLU QG 3.570 . 5.500 4.587 2.993 5.105 . 0 0 "[ . 1 . 2]" 1
792 1 17 GLN HG3 1 81 GLY HA3 3.470 . 5.500 4.626 4.065 5.539 0.039 4 0 "[ . 1 . 2]" 1
793 1 15 ILE HA 1 81 GLY HA2 3.340 . 3.400 3.501 3.483 3.593 0.193 9 0 "[ . 1 . 2]" 1
794 1 11 PHE HD1 1 14 ALA MB 3.330 . 3.400 1.901 1.817 2.135 . 0 0 "[ . 1 . 2]" 1
795 1 16 ALA HA 1 81 GLY HA2 3.280 . 3.400 2.701 2.466 3.412 0.012 9 0 "[ . 1 . 2]" 1
796 1 16 ALA HA 1 81 GLY H 3.240 . 3.400 3.451 3.432 3.495 0.095 9 0 "[ . 1 . 2]" 1
797 1 15 ILE HA 1 78 PHE QB 3.140 . 3.400 3.424 3.315 3.443 0.043 15 0 "[ . 1 . 2]" 1
798 1 15 ILE HB 1 78 PHE QB 3.400 . 3.400 2.708 2.572 3.271 . 0 0 "[ . 1 . 2]" 1
799 1 17 GLN HA 1 80 ASN QB 3.050 . 3.400 3.255 2.977 3.428 0.028 15 0 "[ . 1 . 2]" 1
800 1 25 PHE HE2 1 69 VAL MG2 4.630 . 5.500 4.505 3.743 4.909 . 0 0 "[ . 1 . 2]" 1
801 1 11 PHE HD2 1 63 VAL MG1 4.620 . 5.500 3.361 3.097 3.614 . 0 0 "[ . 1 . 2]" 1
802 1 57 VAL HA 1 64 ALA MB 4.440 . 5.500 2.924 2.535 3.293 . 0 0 "[ . 1 . 2]" 1
803 1 7 THR H 1 60 LEU MD2 4.300 . 5.500 3.734 2.945 4.425 . 0 0 "[ . 1 . 2]" 1
804 1 57 VAL MG2 1 64 ALA HA 4.120 . 5.500 4.031 3.778 4.238 . 0 0 "[ . 1 . 2]" 1
805 1 25 PHE HD2 1 69 VAL MG2 4.110 . 5.500 4.100 3.117 4.437 . 0 0 "[ . 1 . 2]" 1
806 1 67 ASN QB 1 76 LEU HG 3.850 . 5.500 4.804 4.293 5.104 . 0 0 "[ . 1 . 2]" 1
807 1 67 ASN QB 1 76 LEU QD 3.710 . 5.500 2.393 1.963 2.757 . 0 0 "[ . 1 . 2]" 1
808 1 63 VAL MG1 1 67 ASN HD22 3.630 . 5.500 2.256 2.044 2.751 . 0 0 "[ . 1 . 2]" 1
809 1 5 PHE HB3 1 60 LEU MD2 3.600 . 5.500 2.606 2.160 3.397 . 0 0 "[ . 1 . 2]" 1
810 1 7 THR HA 1 60 LEU MD2 3.580 . 5.500 3.553 2.806 3.936 . 0 0 "[ . 1 . 2]" 1
811 1 69 VAL MG1 1 88 VAL HB 3.380 . 3.400 3.464 3.443 3.488 0.088 13 0 "[ . 1 . 2]" 1
812 1 25 PHE HE2 1 63 VAL MG1 3.330 . 3.400 1.803 1.784 1.872 0.016 16 0 "[ . 1 . 2]" 1
813 1 57 VAL MG1 1 64 ALA MB 3.230 . 3.400 2.527 2.119 2.811 . 0 0 "[ . 1 . 2]" 1
814 1 69 VAL MG1 1 74 THR HB 3.130 . 3.400 1.889 1.798 2.030 0.002 10 0 "[ . 1 . 2]" 1
815 1 69 VAL MG1 1 74 THR MG 2.960 . 3.400 1.757 1.719 1.869 0.081 1 0 "[ . 1 . 2]" 1
816 1 25 PHE HE2 1 64 ALA HA 2.950 . 3.400 2.971 2.729 3.263 . 0 0 "[ . 1 . 2]" 1
817 1 25 PHE HB3 1 64 ALA HA 2.910 . 3.400 3.510 3.479 3.537 0.137 4 0 "[ . 1 . 2]" 1
818 1 43 PHE QE 1 95 ILE MD 4.400 . 5.500 4.370 4.001 4.776 . 0 0 "[ . 1 . 2]" 1
819 1 52 PHE HZ 1 99 ILE MD 4.260 . 5.500 2.963 1.944 5.016 . 0 0 "[ . 1 . 2]" 1
820 1 52 PHE QD 1 99 ILE MD 4.200 . 5.500 3.865 3.192 5.233 . 0 0 "[ . 1 . 2]" 1
821 1 43 PHE HB2 1 99 ILE MD 4.020 . 5.500 4.125 3.212 5.512 0.012 18 0 "[ . 1 . 2]" 1
822 1 43 PHE HE2 1 95 ILE MG 3.990 . 5.500 2.167 1.911 2.717 . 0 0 "[ . 1 . 2]" 1
823 1 47 TYR QE 1 103 ALA MB 3.970 . 5.500 4.400 3.638 4.818 . 0 0 "[ . 1 . 2]" 1
824 1 52 PHE HZ 1 99 ILE HB 3.930 . 5.500 4.068 3.643 4.522 . 0 0 "[ . 1 . 2]" 1
825 1 43 PHE HE2 1 95 ILE QG . . 3.400 2.891 2.512 3.357 . 0 0 "[ . 1 . 2]" 1
826 1 77 LEU HB3 1 102 ASN HB2 3.700 . 5.500 4.623 4.402 4.855 . 0 0 "[ . 1 . 2]" 1
827 1 43 PHE HE2 1 95 ILE HB 3.660 . 5.500 4.788 4.362 5.251 . 0 0 "[ . 1 . 2]" 1
828 1 47 TYR QD 1 103 ALA MB 3.600 . 5.500 3.384 2.867 3.741 . 0 0 "[ . 1 . 2]" 1
829 1 52 PHE HE2 1 99 ILE MG 3.590 . 5.500 3.490 3.200 3.915 . 0 0 "[ . 1 . 2]" 1
830 1 47 TYR HE1 1 100 ALA HA 3.340 . 3.400 2.577 1.982 3.050 . 0 0 "[ . 1 . 2]" 1
831 1 20 LEU MD2 1 103 ALA HA 3.330 . 3.400 2.931 2.587 3.420 0.020 2 0 "[ . 1 . 2]" 1
832 1 43 PHE HE2 1 96 LYS QB 3.300 . 5.500 2.786 2.086 4.090 . 0 0 "[ . 1 . 2]" 1
833 1 79 LYS QG 1 102 ASN HB3 3.300 . 3.400 3.429 3.410 3.461 0.061 18 0 "[ . 1 . 2]" 1
834 1 20 LEU HB2 1 103 ALA HA 3.260 . 3.400 3.105 2.293 3.403 0.003 4 0 "[ . 1 . 2]" 1
835 1 20 LEU MD2 1 99 ILE HA 3.190 . 3.400 2.210 1.916 2.564 . 0 0 "[ . 1 . 2]" 1
836 1 87 VAL MG1 1 94 ALA MB 3.070 . 3.400 2.453 1.870 2.903 . 0 0 "[ . 1 . 2]" 1
837 1 40 ILE HA 1 52 PHE HB3 4.020 . 5.500 4.240 3.612 4.819 . 0 0 "[ . 1 . 2]" 1
838 1 2 VAL MG2 1 41 GLU HA 3.680 . 5.500 2.667 1.803 3.628 . 0 0 "[ . 1 . 2]" 1
839 1 44 SER HB2 1 52 PHE HD1 3.650 . 5.500 3.530 2.806 5.023 . 0 0 "[ . 1 . 2]" 1
840 1 24 ASP H 1 40 ILE MG 3.590 . 5.500 4.515 4.099 4.842 . 0 0 "[ . 1 . 2]" 1
841 1 24 ASP HB2 1 40 ILE MG 3.590 . 5.500 4.408 3.942 4.776 . 0 0 "[ . 1 . 2]" 1
842 1 1 MET HA 1 41 GLU QG 3.320 . 3.400 3.348 2.793 3.429 0.029 10 0 "[ . 1 . 2]" 1
843 1 26 TYR HE2 1 40 ILE MD 3.300 . 3.400 3.482 3.442 3.561 0.161 17 0 "[ . 1 . 2]" 1
844 1 15 ILE HA 1 21 VAL MG2 4.100 . 5.500 2.795 2.020 3.378 . 0 0 "[ . 1 . 2]" 1
845 1 20 LEU HB3 1 103 ALA HA 3.790 . 5.500 3.142 2.004 3.778 . 0 0 "[ . 1 . 2]" 1
846 1 5 PHE HE2 1 23 VAL MG1 3.580 . 5.500 2.655 2.274 2.898 . 0 0 "[ . 1 . 2]" 1
847 1 23 VAL MG1 1 25 PHE HE1 3.370 . 3.400 2.810 2.293 3.030 . 0 0 "[ . 1 . 2]" 1
848 1 23 VAL HB 1 25 PHE HE1 3.100 . 3.400 2.646 2.441 3.048 . 0 0 "[ . 1 . 2]" 1
849 1 15 ILE MG 1 78 PHE QB 4.280 . 5.500 2.051 1.798 2.214 0.002 16 0 "[ . 1 . 2]" 1
850 1 36 ILE MG 1 73 PRO HB3 4.230 . 5.500 4.631 4.045 5.046 . 0 0 "[ . 1 . 2]" 1
851 1 30 CYS HB2 1 73 PRO QD 3.790 . 5.500 5.490 4.813 5.567 0.067 18 0 "[ . 1 . 2]" 1
852 1 33 CYS HA 1 73 PRO HB3 3.690 . 5.500 3.458 3.093 3.892 . 0 0 "[ . 1 . 2]" 1
853 1 67 ASN HB3 1 76 LEU MD1 3.580 . 5.500 2.634 2.149 3.170 . 0 0 "[ . 1 . 2]" 1
854 1 33 CYS HA 1 73 PRO QD . . 3.400 3.447 3.411 3.483 0.083 18 0 "[ . 1 . 2]" 1
855 1 79 LYS QD 1 102 ASN HA 3.430 . 5.500 3.545 2.941 4.874 . 0 0 "[ . 1 . 2]" 1
856 1 69 VAL MG2 1 74 THR MG 3.420 . 5.500 2.443 2.091 2.937 . 0 0 "[ . 1 . 2]" 1
857 1 77 LEU MD2 1 99 ILE HA 3.320 . 3.400 2.922 2.558 3.225 . 0 0 "[ . 1 . 2]" 1
858 1 55 LEU MD2 1 63 VAL HB 3.960 . 5.500 3.030 2.803 3.453 . 0 0 "[ . 1 . 2]" 1
859 1 55 LEU MD1 1 57 VAL HA 3.730 . 5.500 2.943 2.804 3.164 . 0 0 "[ . 1 . 2]" 1
860 1 55 LEU MD2 1 63 VAL MG1 3.620 . 5.500 2.679 2.301 3.013 . 0 0 "[ . 1 . 2]" 1
861 1 50 ALA MB 1 99 ILE MG 3.350 . 5.500 2.466 2.139 2.751 . 0 0 "[ . 1 . 2]" 1
862 1 44 SER HA 1 52 PHE HB3 3.020 . 5.500 5.211 4.958 5.503 0.003 17 0 "[ . 1 . 2]" 1
863 1 27 ALA MB 1 28 THR H 4.400 . 5.500 2.720 2.339 3.111 . 0 0 "[ . 1 . 2]" 1
864 1 27 ALA MB 1 30 CYS HB3 4.370 . 5.500 2.743 2.156 3.358 . 0 0 "[ . 1 . 2]" 1
865 1 27 ALA MB 1 30 CYS H 4.350 . 5.500 2.720 1.931 4.077 . 0 0 "[ . 1 . 2]" 1
866 1 27 ALA HA 1 57 VAL MG1 4.260 . 5.500 2.336 2.152 2.545 . 0 0 "[ . 1 . 2]" 1
867 1 27 ALA MB 1 30 CYS HB2 4.160 . 5.500 2.324 1.858 2.950 . 0 0 "[ . 1 . 2]" 1
868 1 29 TRP HA 1 29 TRP HD1 3.960 . 5.500 4.142 4.037 4.234 . 0 0 "[ . 1 . 2]" 1
869 1 28 THR HB 1 29 TRP H 3.900 . 5.500 4.350 3.861 4.589 . 0 0 "[ . 1 . 2]" 1
870 1 33 CYS HA 1 35 MET H 3.840 . 5.500 4.038 3.657 4.509 . 0 0 "[ . 1 . 2]" 1
871 1 28 THR HB 1 58 ASP QB 3.810 . 5.500 2.113 1.893 2.491 . 0 0 "[ . 1 . 2]" 1
872 1 28 THR H 1 28 THR MG 3.760 . 5.500 1.945 1.855 2.179 . 0 0 "[ . 1 . 2]" 1
873 1 30 CYS HB2 1 33 CYS HB3 3.720 . 5.500 4.876 3.320 5.554 0.054 8 0 "[ . 1 . 2]" 1
874 1 28 THR MG 1 29 TRP H 3.650 . 5.500 2.850 1.893 3.537 . 0 0 "[ . 1 . 2]" 1
875 1 28 THR HA 1 29 TRP H 3.610 . 5.500 3.290 3.013 3.545 . 0 0 "[ . 1 . 2]" 1
876 1 29 TRP HZ3 1 30 CYS HA . . 3.400 3.436 3.412 3.473 0.073 11 0 "[ . 1 . 2]" 1
877 1 28 THR MG 1 58 ASP HA 3.540 . 5.500 2.646 2.248 3.111 . 0 0 "[ . 1 . 2]" 1
878 1 27 ALA MB 1 57 VAL MG1 3.460 . 5.500 3.243 3.017 3.598 . 0 0 "[ . 1 . 2]" 1
879 1 26 TYR HB2 1 73 PRO QG 3.430 . 5.500 4.930 4.366 5.346 . 0 0 "[ . 1 . 2]" 1
880 1 28 THR HB 1 58 ASP HA 3.390 . 3.400 2.815 2.144 3.469 0.069 9 0 "[ . 1 . 2]" 1
881 1 33 CYS HA 1 73 PRO QG 3.370 . 3.400 3.160 2.446 3.425 0.025 14 0 "[ . 1 . 2]" 1
882 1 27 ALA HA 1 28 THR H 3.160 . 3.400 2.265 2.150 2.415 . 0 0 "[ . 1 . 2]" 1
883 1 28 THR HA 1 28 THR HB . . 2.800 2.394 2.370 2.429 . 0 0 "[ . 1 . 2]" 1
884 1 87 VAL MG1 1 95 ILE HA 4.380 . 5.500 4.517 3.022 5.505 0.005 14 0 "[ . 1 . 2]" 1
885 1 85 ALA MB 1 102 ASN QD 3.990 . 5.500 2.704 1.803 3.574 . 0 0 "[ . 1 . 2]" 1
886 1 84 VAL MG2 1 102 ASN HB3 3.870 . 5.500 3.442 2.160 3.964 . 0 0 "[ . 1 . 2]" 1
887 1 8 ALA MB 1 62 ASP HB2 3.990 . 5.500 5.483 5.335 5.517 0.017 16 0 "[ . 1 . 2]" 1
888 1 1 MET HA 1 44 SER QB 3.920 . 5.500 4.493 3.924 5.506 0.006 2 0 "[ . 1 . 2]" 1
889 1 7 THR HB 1 9 SER QB 3.700 . 5.500 3.144 2.900 3.948 . 0 0 "[ . 1 . 2]" 1
890 1 2 VAL HA 1 52 PHE HB2 3.640 . 5.500 3.586 3.310 4.173 . 0 0 "[ . 1 . 2]" 1
891 1 2 VAL H 1 41 GLU QG 4.720 . 5.500 4.164 3.640 4.570 . 0 0 "[ . 1 . 2]" 1
892 1 7 THR H 1 60 LEU QD 4.240 . 5.500 3.165 2.746 3.670 . 0 0 "[ . 1 . 2]" 1
893 1 8 ALA H 1 60 LEU QD 3.990 . 5.500 3.060 2.334 4.001 . 0 0 "[ . 1 . 2]" 1
894 1 7 THR H 1 9 SER QB 4.310 . 5.500 5.463 5.310 5.533 0.033 10 0 "[ . 1 . 2]" 1
895 1 7 THR H 1 10 GLU QG 4.280 . 5.500 3.586 2.843 4.702 . 0 0 "[ . 1 . 2]" 1
896 1 6 LYS H 1 10 GLU QG 4.280 . 5.500 4.324 3.358 5.025 . 0 0 "[ . 1 . 2]" 1
897 1 7 THR H 1 11 PHE QB 3.970 . 5.500 5.337 5.073 5.516 0.016 6 0 "[ . 1 . 2]" 1
898 1 7 THR H 1 10 GLU QB 3.170 . 3.400 3.332 2.886 3.436 0.036 14 0 "[ . 1 . 2]" 1
899 1 11 PHE H 1 55 LEU QD 5.390 . 5.500 5.018 4.731 5.284 . 0 0 "[ . 1 . 2]" 1
900 1 17 GLN H 1 80 ASN H 4.410 . 5.500 4.634 4.354 5.074 . 0 0 "[ . 1 . 2]" 1
901 1 8 ALA HA 1 11 PHE H 4.360 . 5.500 3.167 2.830 3.755 . 0 0 "[ . 1 . 2]" 1
902 1 5 PHE QD 1 11 PHE H 3.620 . 5.500 4.124 3.753 4.330 . 0 0 "[ . 1 . 2]" 1
903 1 17 GLN H 1 81 GLY HA3 3.010 . 3.400 2.558 2.126 3.062 . 0 0 "[ . 1 . 2]" 1
904 1 25 PHE H 1 69 VAL MG1 4.880 . 5.500 3.836 3.552 4.226 . 0 0 "[ . 1 . 2]" 1
905 1 22 VAL H 1 53 TYR HD2 4.620 . 5.500 4.995 4.746 5.420 . 0 0 "[ . 1 . 2]" 1
906 1 26 TYR H 1 27 ALA H 4.480 . 5.500 4.599 4.526 4.636 . 0 0 "[ . 1 . 2]" 1
907 1 27 ALA H 1 30 CYS HB3 4.300 . 5.500 3.948 3.014 4.909 . 0 0 "[ . 1 . 2]" 1
908 1 20 LEU H 1 103 ALA HA 4.050 . 5.500 4.236 3.474 4.786 . 0 0 "[ . 1 . 2]" 1
909 1 26 TYR HD1 1 27 ALA H 3.640 . 5.500 4.226 4.069 4.457 . 0 0 "[ . 1 . 2]" 1
910 1 26 TYR HB2 1 27 ALA H 3.350 . 3.400 3.094 2.845 3.378 . 0 0 "[ . 1 . 2]" 1
911 1 28 THR H 1 57 VAL MG1 4.970 . 5.500 2.291 2.069 2.614 . 0 0 "[ . 1 . 2]" 1
912 1 29 TRP HB3 1 30 CYS H 4.220 . 5.500 3.812 3.234 4.215 . 0 0 "[ . 1 . 2]" 1
913 1 27 ALA MB 1 29 TRP H 4.100 . 5.500 2.341 2.148 2.969 . 0 0 "[ . 1 . 2]" 1
914 1 28 THR H 1 29 TRP HD1 4.020 . 5.500 3.087 2.540 3.915 . 0 0 "[ . 1 . 2]" 1
915 1 29 TRP HD1 1 30 CYS H 3.940 . 5.500 4.235 3.858 4.782 . 0 0 "[ . 1 . 2]" 1
916 1 28 THR H 1 28 THR HB 3.890 . 5.500 2.748 2.601 2.961 . 0 0 "[ . 1 . 2]" 1
917 1 33 CYS H 1 33 CYS HB2 3.700 . 5.500 2.957 2.385 3.939 . 0 0 "[ . 1 . 2]" 1
918 1 28 THR H 1 29 TRP H . . 3.400 2.641 2.431 2.867 . 0 0 "[ . 1 . 2]" 1
919 1 29 TRP H 1 29 TRP HD1 3.140 . 3.400 2.585 2.131 3.087 . 0 0 "[ . 1 . 2]" 1
920 1 2 VAL MG2 1 44 SER H 4.680 . 5.500 4.949 3.887 5.547 0.047 2 0 "[ . 1 . 2]" 1
921 1 40 ILE QG 1 41 GLU H 3.720 . 5.500 4.158 4.046 4.213 . 0 0 "[ . 1 . 2]" 1
922 1 44 SER H 1 52 PHE HD2 3.570 . 5.500 4.438 4.188 4.692 . 0 0 "[ . 1 . 2]" 1
923 1 43 PHE HA 1 45 GLU H 3.310 . 3.400 3.426 3.417 3.443 0.043 11 0 "[ . 1 . 2]" 1
924 1 28 THR MG 1 57 VAL H 4.840 . 5.500 4.745 4.504 4.983 . 0 0 "[ . 1 . 2]" 1
925 1 55 LEU MD1 1 56 ASP H 4.200 . 5.500 2.277 1.919 2.840 . 0 0 "[ . 1 . 2]" 1
926 1 54 LYS H 1 54 LYS HB2 4.050 . 5.500 2.912 2.776 3.091 . 0 0 "[ . 1 . 2]" 1
927 1 26 TYR HE2 1 55 LEU H 3.910 . 5.500 4.335 3.875 4.663 . 0 0 "[ . 1 . 2]" 1
928 1 26 TYR HD2 1 55 LEU H 3.500 . 5.500 4.939 4.531 5.231 . 0 0 "[ . 1 . 2]" 1
929 1 25 PHE HE2 1 64 ALA H 3.730 . 5.500 3.578 2.980 4.328 . 0 0 "[ . 1 . 2]" 1
930 1 79 LYS H 1 79 LYS QG 4.200 . 5.500 3.125 2.894 3.235 . 0 0 "[ . 1 . 2]" 1
931 1 20 LEU MD2 1 102 ASN H 4.360 . 5.500 3.658 3.313 5.416 . 0 0 "[ . 1 . 2]" 1
932 1 91 ASN H 1 92 PRO QD 4.330 . 5.500 4.310 4.110 4.401 . 0 0 "[ . 1 . 2]" 1
933 1 20 LEU MD2 1 103 ALA H 4.170 . 5.500 2.386 1.961 3.496 . 0 0 "[ . 1 . 2]" 1
934 1 5 PHE HZ 1 23 VAL QG 4.430 . 5.510 3.436 3.011 3.631 . 0 0 "[ . 1 . 2]" 1
935 1 5 PHE HA 1 5 PHE HE1 4.270 . 5.500 4.335 4.269 4.403 . 0 0 "[ . 1 . 2]" 1
936 1 5 PHE HZ 1 14 ALA HA 4.130 . 5.500 4.714 4.362 5.102 . 0 0 "[ . 1 . 2]" 1
937 1 5 PHE HE1 1 10 GLU QG 3.900 . 5.500 4.791 2.154 5.453 . 0 0 "[ . 1 . 2]" 1
938 1 5 PHE HZ 1 53 TYR QE 3.810 . 5.500 3.584 3.385 3.745 . 0 0 "[ . 1 . 2]" 1
939 1 5 PHE HZ 1 53 TYR QD 3.760 . 5.500 2.759 2.640 2.852 . 0 0 "[ . 1 . 2]" 1
940 1 5 PHE HE1 1 53 TYR HE1 3.360 . 3.400 3.414 3.410 3.421 0.021 15 0 "[ . 1 . 2]" 1
941 1 5 PHE HE2 1 11 PHE HA 3.310 . 3.400 3.420 3.401 3.431 0.031 15 0 "[ . 1 . 2]" 1
942 1 5 PHE HE2 1 14 ALA MB 3.000 . 3.400 3.274 3.029 3.413 0.013 9 0 "[ . 1 . 2]" 1
943 1 29 TRP HH2 1 30 CYS H 4.710 . 5.500 5.422 5.195 5.598 0.098 4 0 "[ . 1 . 2]" 1
944 1 5 PHE HD1 1 53 TYR HD1 4.000 . 5.500 4.522 4.349 4.640 . 0 0 "[ . 1 . 2]" 1
945 1 5 PHE HD2 1 11 PHE HA 3.810 . 5.500 4.165 3.960 4.327 . 0 0 "[ . 1 . 2]" 1
946 1 3 THR MG 1 5 PHE HD1 3.700 . 5.500 3.776 3.536 4.029 . 0 0 "[ . 1 . 2]" 1
947 1 5 PHE HA 1 5 PHE HD1 3.040 . 3.400 1.910 1.820 1.985 . 0 0 "[ . 1 . 2]" 1
948 1 5 PHE HB3 1 11 PHE HD2 4.100 . 5.500 4.329 4.003 4.693 . 0 0 "[ . 1 . 2]" 1
949 1 11 PHE HD2 1 55 LEU QD 3.820 . 5.500 2.046 1.819 2.353 . 0 0 "[ . 1 . 2]" 1
950 1 5 PHE HZ 1 11 PHE HD1 3.720 . 5.500 3.473 3.197 3.754 . 0 0 "[ . 1 . 2]" 1
951 1 5 PHE HD2 1 11 PHE QD 3.340 . 3.400 2.878 2.538 3.287 . 0 0 "[ . 1 . 2]" 1
952 1 11 PHE HA 1 11 PHE QD 2.960 . 3.400 1.979 1.956 2.049 . 0 0 "[ . 1 . 2]" 1
953 1 11 PHE HA 1 11 PHE HE1 3.890 . 5.500 4.374 4.344 4.433 . 0 0 "[ . 1 . 2]" 1
954 1 29 TRP HZ2 1 30 CYS HB2 4.070 . 5.500 5.042 4.543 5.495 . 0 0 "[ . 1 . 2]" 1
955 1 27 ALA MB 1 29 TRP HZ2 4.040 . 5.500 3.293 2.623 3.628 . 0 0 "[ . 1 . 2]" 1
956 1 29 TRP HZ2 1 57 VAL MG1 3.860 . 5.500 5.473 4.476 5.556 0.056 20 0 "[ . 1 . 2]" 1
957 1 27 ALA MB 1 29 TRP HZ3 4.140 . 5.500 4.764 3.749 5.204 . 0 0 "[ . 1 . 2]" 1
958 1 27 ALA MB 1 29 TRP HH2 4.640 . 5.500 4.347 3.404 4.743 . 0 0 "[ . 1 . 2]" 1
959 1 29 TRP HH2 1 30 CYS HB2 3.600 . 5.500 4.643 4.100 5.376 . 0 0 "[ . 1 . 2]" 1
960 1 43 PHE HD2 1 99 ILE MD 5.200 . 5.500 3.126 2.189 4.254 . 0 0 "[ . 1 . 2]" 1
961 1 43 PHE HD2 1 95 ILE MG 4.760 . 5.500 3.816 3.418 4.371 . 0 0 "[ . 1 . 2]" 1
962 1 42 LYS QG 1 43 PHE HD1 4.000 . 5.500 4.412 4.123 4.680 . 0 0 "[ . 1 . 2]" 1
963 1 41 GLU QB 1 43 PHE HD1 3.910 . 5.500 5.549 5.534 5.566 0.066 6 0 "[ . 1 . 2]" 1
964 1 42 LYS QD 1 43 PHE HD1 3.850 . 5.500 4.655 4.388 5.405 . 0 0 "[ . 1 . 2]" 1
965 1 43 PHE HD2 1 46 GLN QB 3.710 . 5.500 4.800 4.427 5.093 . 0 0 "[ . 1 . 2]" 1
966 1 42 LYS QB 1 43 PHE HD1 3.420 . 5.500 2.591 2.448 2.851 . 0 0 "[ . 1 . 2]" 1
967 1 39 MET HA 1 43 PHE HE1 4.140 . 5.500 3.571 2.981 3.898 . 0 0 "[ . 1 . 2]" 1
968 1 39 MET QB 1 43 PHE HE1 3.540 . 5.500 3.240 2.045 4.088 . 0 0 "[ . 1 . 2]" 1
969 1 40 ILE HA 1 43 PHE HE1 3.490 . 5.500 4.685 4.221 5.006 . 0 0 "[ . 1 . 2]" 1
970 1 39 MET QG 1 43 PHE HE1 3.410 . 5.500 2.625 1.808 3.843 . 0 0 "[ . 1 . 2]" 1
971 1 47 TYR HE2 1 99 ILE MG 4.530 . 5.500 3.630 3.269 3.967 . 0 0 "[ . 1 . 2]" 1
972 1 47 TYR HA 1 47 TYR HE1 4.520 . 5.500 4.751 4.712 4.893 . 0 0 "[ . 1 . 2]" 1
973 1 43 PHE HA 1 47 TYR HE2 4.460 . 5.500 4.985 4.681 5.277 . 0 0 "[ . 1 . 2]" 1
974 1 47 TYR HE2 1 99 ILE MD 4.160 . 5.500 3.926 3.141 4.815 . 0 0 "[ . 1 . 2]" 1
975 1 47 TYR HE2 1 96 LYS HA 4.090 . 5.500 2.840 2.330 3.167 . 0 0 "[ . 1 . 2]" 1
976 1 47 TYR HE1 1 100 ALA MB 3.880 . 5.500 2.491 1.977 2.925 . 0 0 "[ . 1 . 2]" 1
977 1 47 TYR HE1 1 103 ALA MB 3.640 . 5.500 4.509 3.679 4.986 . 0 0 "[ . 1 . 2]" 1
978 1 47 TYR HE2 1 96 LYS QB 3.470 . 5.500 3.410 3.000 4.227 . 0 0 "[ . 1 . 2]" 1
979 1 46 GLN HB2 1 47 TYR HE2 3.410 . 5.500 3.617 3.198 3.767 . 0 0 "[ . 1 . 2]" 1
980 1 47 TYR HD1 1 100 ALA HA 3.860 . 5.500 3.653 3.204 4.017 . 0 0 "[ . 1 . 2]" 1
981 1 47 TYR HD2 1 99 ILE MG 3.720 . 5.500 2.532 2.226 2.924 . 0 0 "[ . 1 . 2]" 1
982 1 52 PHE HE2 1 99 ILE MD 4.360 . 5.500 2.535 1.861 4.199 . 0 0 "[ . 1 . 2]" 1
983 1 22 VAL MG2 1 52 PHE HE1 4.320 . 5.500 4.315 3.719 4.847 . 0 0 "[ . 1 . 2]" 1
984 1 43 PHE HB3 1 52 PHE HE2 3.620 . 5.500 1.982 1.908 2.180 . 0 0 "[ . 1 . 2]" 1
985 1 52 PHE HE1 1 99 ILE MG 3.580 . 5.500 3.478 3.138 3.852 . 0 0 "[ . 1 . 2]" 1
986 1 47 TYR HB2 1 52 PHE HE1 3.110 . 3.400 2.530 2.227 2.919 . 0 0 "[ . 1 . 2]" 1
987 1 22 VAL MG2 1 52 PHE HZ 4.750 . 5.500 3.714 3.314 4.241 . 0 0 "[ . 1 . 2]" 1
988 1 52 PHE HZ 1 99 ILE MG 4.310 . 5.500 2.147 1.925 2.652 . 0 0 "[ . 1 . 2]" 1
989 1 50 ALA MB 1 52 PHE HZ 4.180 . 5.500 3.486 3.236 3.719 . 0 0 "[ . 1 . 2]" 1
990 1 43 PHE HB3 1 52 PHE HZ 3.870 . 5.500 2.955 2.737 3.206 . 0 0 "[ . 1 . 2]" 1
991 1 3 THR HA 1 53 TYR HD1 4.240 . 5.500 4.393 4.171 4.688 . 0 0 "[ . 1 . 2]" 1
992 1 51 ASP HA 1 53 TYR HD2 4.170 . 5.500 5.169 4.712 5.504 0.004 8 0 "[ . 1 . 2]" 1
993 1 51 ASP HB2 1 53 TYR HD2 3.870 . 5.500 3.221 2.847 3.539 . 0 0 "[ . 1 . 2]" 1
994 1 51 ASP HB3 1 53 TYR HD2 3.770 . 5.500 3.021 2.570 3.378 . 0 0 "[ . 1 . 2]" 1
995 1 5 PHE HZ 1 53 TYR HD2 3.700 . 5.500 2.890 2.700 3.076 . 0 0 "[ . 1 . 2]" 1
996 1 5 PHE HE1 1 53 TYR HD1 3.360 . 3.400 3.221 2.998 3.401 0.001 2 0 "[ . 1 . 2]" 1
997 1 3 THR MG 1 53 TYR HD1 3.280 . 3.400 3.251 2.864 3.428 0.028 6 0 "[ . 1 . 2]" 1
998 1 53 TYR HA 1 53 TYR HD1 3.250 . 3.400 2.532 2.396 2.639 . 0 0 "[ . 1 . 2]" 1
999 1 3 THR HB 1 53 TYR HD1 3.040 . 3.400 2.163 1.921 2.506 . 0 0 "[ . 1 . 2]" 1
1000 1 51 ASP HA 1 53 TYR HE2 4.280 . 5.500 4.986 4.514 5.339 . 0 0 "[ . 1 . 2]" 1
1001 1 14 ALA HA 1 53 TYR HE2 4.260 . 5.500 3.678 3.079 4.412 . 0 0 "[ . 1 . 2]" 1
1002 1 53 TYR HA 1 53 TYR HE1 4.260 . 5.500 4.591 4.508 4.668 . 0 0 "[ . 1 . 2]" 1
1003 1 5 PHE HD1 1 53 TYR HE1 4.030 . 5.500 5.298 5.155 5.389 . 0 0 "[ . 1 . 2]" 1
1004 1 5 PHE HZ 1 53 TYR HE2 3.900 . 5.500 3.831 3.604 3.979 . 0 0 "[ . 1 . 2]" 1
1005 1 3 THR HB 1 53 TYR HE1 3.270 . 3.400 2.327 2.059 2.731 . 0 0 "[ . 1 . 2]" 1
1006 1 14 ALA MB 1 53 TYR QE 3.160 . 3.400 2.787 2.219 3.251 . 0 0 "[ . 1 . 2]" 1
1007 1 22 VAL MG2 1 52 PHE HD1 4.440 . 5.500 4.673 3.953 5.272 . 0 0 "[ . 1 . 2]" 1
1008 1 44 SER HA 1 52 PHE HD1 4.320 . 5.500 3.144 2.817 3.564 . 0 0 "[ . 1 . 2]" 1
1009 1 50 ALA MB 1 52 PHE HD1 3.620 . 5.500 3.748 3.515 4.022 . 0 0 "[ . 1 . 2]" 1
1010 1 44 SER HB3 1 52 PHE HD1 3.440 . 5.500 4.105 2.763 5.234 . 0 0 "[ . 1 . 2]" 1
1011 1 52 PHE HA 1 52 PHE HD1 3.290 . 3.400 3.403 3.346 3.422 0.022 17 0 "[ . 1 . 2]" 1
1012 1 5 PHE HB3 1 55 LEU QD 4.280 . 5.500 3.058 2.765 3.345 . 0 0 "[ . 1 . 2]" 1
1013 1 5 PHE HB2 1 55 LEU QD 4.210 . 5.500 2.279 1.971 2.460 . 0 0 "[ . 1 . 2]" 1
1014 1 5 PHE HB2 1 11 PHE H 3.980 . 5.500 5.219 4.821 5.649 0.149 14 0 "[ . 1 . 2]" 1
1015 1 5 PHE H 1 5 PHE HB3 . . 3.400 3.797 3.718 3.841 0.441 1 0 "[ . 1 . 2]" 1
1016 1 5 PHE HB2 1 5 PHE QD 3.230 . 3.400 2.330 2.304 2.369 . 0 0 "[ . 1 . 2]" 1
1017 1 5 PHE H 1 5 PHE HB2 3.660 . 5.500 2.667 2.533 2.746 . 0 0 "[ . 1 . 2]" 1
1018 1 5 PHE HB3 1 5 PHE HE2 4.480 . 5.500 5.072 5.018 5.120 . 0 0 "[ . 1 . 2]" 1
1019 1 5 PHE HB2 1 5 PHE QE 4.220 . 5.500 4.390 4.380 4.401 . 0 0 "[ . 1 . 2]" 1
1020 1 5 PHE HB3 1 5 PHE HD2 3.540 . 5.500 3.156 3.070 3.224 . 0 0 "[ . 1 . 2]" 1
1021 1 12 ASP H 1 12 ASP HB3 3.230 . 3.400 2.553 2.476 2.617 . 0 0 "[ . 1 . 2]" 1
1022 1 12 ASP H 1 12 ASP HB2 3.160 . 3.400 2.533 2.457 2.762 . 0 0 "[ . 1 . 2]" 1
1023 1 18 ASP H 1 18 ASP HB2 3.710 . 5.500 3.433 3.321 3.512 . 0 0 "[ . 1 . 2]" 1
1024 1 18 ASP H 1 18 ASP HB3 3.520 . 5.500 3.147 3.053 3.252 . 0 0 "[ . 1 . 2]" 1
1025 1 18 ASP HA 1 18 ASP HB3 2.840 . 3.400 3.021 3.012 3.025 . 0 0 "[ . 1 . 2]" 1
1026 1 18 ASP HA 1 18 ASP HB2 2.750 . 2.800 2.497 2.460 2.561 . 0 0 "[ . 1 . 2]" 1
1027 1 19 LYS HA 1 20 LEU HB2 3.910 . 5.500 4.641 4.592 4.697 . 0 0 "[ . 1 . 2]" 1
1028 1 20 LEU H 1 20 LEU HB3 . . 2.800 2.420 2.348 2.468 . 0 0 "[ . 1 . 2]" 1
1029 1 20 LEU H 1 20 LEU HB2 3.330 . 3.400 2.858 2.797 2.960 . 0 0 "[ . 1 . 2]" 1
1030 1 24 ASP HB2 1 75 LEU MD2 4.710 . 5.500 2.534 2.273 3.872 . 0 0 "[ . 1 . 2]" 1
1031 1 24 ASP HB3 1 75 LEU MD2 4.410 . 5.500 3.823 3.146 4.263 . 0 0 "[ . 1 . 2]" 1
1032 1 24 ASP H 1 24 ASP HB2 . . 3.400 2.835 2.528 2.908 . 0 0 "[ . 1 . 2]" 1
1033 1 24 ASP HB2 1 75 LEU QD 3.650 . 5.500 2.526 2.267 3.835 . 0 0 "[ . 1 . 2]" 1
1034 1 23 VAL HA 1 24 ASP HB2 3.620 . 5.500 4.495 4.347 4.642 . 0 0 "[ . 1 . 2]" 1
1035 1 24 ASP HB2 1 54 LYS HA 3.570 . 5.500 4.245 3.479 4.423 . 0 0 "[ . 1 . 2]" 1
1036 1 24 ASP H 1 24 ASP HB3 . . 3.400 2.558 2.445 3.612 0.212 11 0 "[ . 1 . 2]" 1
1037 1 24 ASP HB2 1 75 LEU HG 3.410 . 5.500 5.019 4.748 5.560 0.060 11 0 "[ . 1 . 2]" 1
1038 1 24 ASP HB3 1 55 LEU H 4.510 . 5.500 3.770 3.471 4.949 . 0 0 "[ . 1 . 2]" 1
1039 1 24 ASP HB2 1 55 LEU H 4.330 . 5.500 4.954 3.860 5.174 . 0 0 "[ . 1 . 2]" 1
1040 1 25 PHE HB3 1 74 THR H 4.630 . 5.500 5.200 4.212 5.508 0.008 8 0 "[ . 1 . 2]" 1
1041 1 25 PHE HB2 1 74 THR H 3.720 . 5.500 4.091 3.023 4.539 . 0 0 "[ . 1 . 2]" 1
1042 1 25 PHE H 1 25 PHE HB3 3.310 . 3.400 3.560 3.550 3.567 0.167 17 0 "[ . 1 . 2]" 1
1043 1 25 PHE HB2 1 57 VAL MG2 4.700 . 5.500 3.971 3.806 4.080 . 0 0 "[ . 1 . 2]" 1
1044 1 25 PHE HB3 1 57 VAL MG2 4.440 . 5.500 2.686 2.522 2.787 . 0 0 "[ . 1 . 2]" 1
1045 1 25 PHE HB2 1 69 VAL MG1 4.210 . 5.500 2.284 2.006 2.746 . 0 0 "[ . 1 . 2]" 1
1046 1 25 PHE HB3 1 69 VAL MG1 . . 3.400 3.088 2.723 3.415 0.015 4 0 "[ . 1 . 2]" 1
1047 1 25 PHE HB2 1 25 PHE HD1 . . 3.400 2.822 2.792 2.860 . 0 0 "[ . 1 . 2]" 1
1048 1 25 PHE HB3 1 25 PHE HD2 3.050 . 3.400 2.245 2.223 2.264 . 0 0 "[ . 1 . 2]" 1
1049 1 26 TYR HB3 1 26 TYR HD2 3.340 . 3.400 2.307 2.285 2.321 . 0 0 "[ . 1 . 2]" 1
1050 1 26 TYR HB2 1 26 TYR HD1 3.110 . 3.400 2.782 2.756 2.820 . 0 0 "[ . 1 . 2]" 1
1051 1 29 TRP HB3 1 29 TRP HD1 . . 3.400 2.727 2.667 2.812 . 0 0 "[ . 1 . 2]" 1
1052 1 29 TRP HB2 1 29 TRP HD1 3.480 . 5.500 3.850 3.819 3.879 . 0 0 "[ . 1 . 2]" 1
1053 1 29 TRP H 1 29 TRP HB2 3.750 . 5.500 3.682 3.553 3.805 . 0 0 "[ . 1 . 2]" 1
1054 1 29 TRP H 1 29 TRP HB3 3.400 . 3.400 3.224 2.808 3.484 0.084 20 0 "[ . 1 . 2]" 1
1055 1 30 CYS H 1 30 CYS HB2 . . 3.400 2.649 2.369 3.178 . 0 0 "[ . 1 . 2]" 1
1056 1 29 TRP HZ3 1 30 CYS HB2 3.720 . 5.500 4.066 2.570 4.938 . 0 0 "[ . 1 . 2]" 1
1057 1 30 CYS H 1 30 CYS HB3 3.380 . 3.400 2.971 2.630 3.493 0.093 8 0 "[ . 1 . 2]" 1
1058 1 27 ALA H 1 33 CYS HB3 3.990 . 5.500 3.808 2.874 4.579 . 0 0 "[ . 1 . 2]" 1
1059 1 33 CYS H 1 33 CYS HB3 3.970 . 5.500 3.349 2.446 4.101 . 0 0 "[ . 1 . 2]" 1
1060 1 27 ALA H 1 33 CYS HB2 3.740 . 5.500 4.041 3.311 4.711 . 0 0 "[ . 1 . 2]" 1
1061 1 38 PRO HB3 1 38 PRO HD3 3.340 . 3.400 3.143 3.064 3.188 . 0 0 "[ . 1 . 2]" 1
1062 1 38 PRO HB2 1 38 PRO HD2 3.220 . 5.500 3.970 3.947 4.007 . 0 0 "[ . 1 . 2]" 1
1063 1 40 ILE HA 1 43 PHE HB3 3.480 . 5.500 4.988 4.680 5.076 . 0 0 "[ . 1 . 2]" 1
1064 1 43 PHE HB2 1 43 PHE HD1 3.350 . 3.400 2.707 2.653 2.744 . 0 0 "[ . 1 . 2]" 1
1065 1 47 TYR HB3 1 47 TYR HD1 2.980 . 3.400 2.596 2.495 2.625 . 0 0 "[ . 1 . 2]" 1
1066 1 47 TYR HB2 1 47 TYR HD2 . . 2.800 2.315 2.302 2.363 . 0 0 "[ . 1 . 2]" 1
1067 1 47 TYR HB3 1 47 TYR HE1 3.910 . 5.500 4.769 4.715 4.786 . 0 0 "[ . 1 . 2]" 1
1068 1 47 TYR HB3 1 52 PHE HZ 3.710 . 5.500 3.529 3.446 3.727 . 0 0 "[ . 1 . 2]" 1
1069 1 47 TYR HB3 1 52 PHE HE1 3.590 . 5.500 3.518 3.268 3.884 . 0 0 "[ . 1 . 2]" 1
1070 1 47 TYR HB2 1 52 PHE HZ 3.390 . 3.400 2.008 1.932 2.206 . 0 0 "[ . 1 . 2]" 1
1071 1 47 TYR HB2 1 47 TYR HE2 3.360 . 5.500 4.620 4.612 4.644 . 0 0 "[ . 1 . 2]" 1
1072 1 49 GLN H 1 49 GLN HB3 3.710 . 5.500 3.605 3.584 3.622 . 0 0 "[ . 1 . 2]" 1
1073 1 21 VAL HA 1 51 ASP HB3 3.870 . 5.500 4.302 3.904 4.628 . 0 0 "[ . 1 . 2]" 1
1074 1 51 ASP H 1 51 ASP HB3 3.520 . 5.500 3.643 3.639 3.668 . 0 0 "[ . 1 . 2]" 1
1075 1 21 VAL HA 1 51 ASP HB2 3.510 . 5.500 2.878 2.375 3.313 . 0 0 "[ . 1 . 2]" 1
1076 1 51 ASP HB2 1 53 TYR HE2 3.460 . 5.500 3.248 3.028 3.634 . 0 0 "[ . 1 . 2]" 1
1077 1 51 ASP HB3 1 53 TYR HE2 3.320 . 3.400 2.551 2.127 2.877 . 0 0 "[ . 1 . 2]" 1
1078 1 2 VAL MG2 1 52 PHE HB2 4.340 . 5.500 2.908 1.947 3.758 . 0 0 "[ . 1 . 2]" 1
1079 1 2 VAL MG2 1 52 PHE HB3 3.760 . 5.500 2.924 2.260 3.463 . 0 0 "[ . 1 . 2]" 1
1080 1 52 PHE HB2 1 52 PHE HD1 . . 3.400 2.704 2.677 2.723 . 0 0 "[ . 1 . 2]" 1
1081 1 52 PHE HB3 1 52 PHE HD2 3.060 . 3.400 2.282 2.277 2.286 . 0 0 "[ . 1 . 2]" 1
1082 1 53 TYR HB3 1 53 TYR HD1 . . 3.400 2.633 2.586 2.704 . 0 0 "[ . 1 . 2]" 1
1083 1 53 TYR HB2 1 54 LYS H 3.740 . 5.500 3.395 3.319 3.556 . 0 0 "[ . 1 . 2]" 1
1084 1 53 TYR HB2 1 53 TYR HD2 . . 3.400 2.315 2.301 2.329 . 0 0 "[ . 1 . 2]" 1
1085 1 5 PHE HZ 1 53 TYR HB3 3.990 . 5.500 2.746 2.580 2.995 . 0 0 "[ . 1 . 2]" 1
1086 1 5 PHE HZ 1 53 TYR HB2 3.980 . 5.500 2.982 2.703 3.248 . 0 0 "[ . 1 . 2]" 1
1087 1 53 TYR HB3 1 53 TYR HE1 3.760 . 5.500 4.782 4.755 4.823 . 0 0 "[ . 1 . 2]" 1
1088 1 5 PHE HE2 1 53 TYR HB3 3.410 . 5.500 2.776 2.581 3.058 . 0 0 "[ . 1 . 2]" 1
1089 1 5 PHE HE2 1 53 TYR HB2 3.160 . 3.400 2.859 2.595 3.149 . 0 0 "[ . 1 . 2]" 1
1090 1 29 TRP HH2 1 72 MET QG 2.920 . 3.400 3.124 2.013 3.475 0.075 4 0 "[ . 1 . 2]" 1
1091 1 23 VAL HB 1 55 LEU HB2 3.970 . 5.500 3.952 3.702 4.209 . 0 0 "[ . 1 . 2]" 1
1092 1 56 ASP H 1 56 ASP HB3 . . 3.400 2.953 2.568 3.550 0.150 18 0 "[ . 1 . 2]" 1
1093 1 56 ASP H 1 56 ASP HB2 3.120 . 3.400 2.517 2.275 2.713 . 0 0 "[ . 1 . 2]" 1
1094 1 59 GLU H 1 59 GLU HB3 3.660 . 5.500 2.558 2.448 2.992 . 0 0 "[ . 1 . 2]" 1
1095 1 60 LEU H 1 60 LEU HB3 3.840 . 5.500 3.710 3.594 3.802 . 0 0 "[ . 1 . 2]" 1
1096 1 62 ASP HA 1 62 ASP HB2 2.790 . 2.800 2.988 2.985 2.990 0.190 1 0 "[ . 1 . 2]" 1
1097 1 66 LYS HA 1 66 LYS HB3 2.750 . 2.800 2.637 2.548 2.893 0.093 12 0 "[ . 1 . 2]" 1
1098 1 67 ASN HB3 1 69 VAL MG2 4.230 . 5.500 2.502 2.297 2.703 . 0 0 "[ . 1 . 2]" 1
1099 1 64 ALA HA 1 67 ASN HB2 3.890 . 5.500 3.632 3.505 3.820 . 0 0 "[ . 1 . 2]" 1
1100 1 67 ASN H 1 67 ASN HB3 . . 3.400 3.549 3.545 3.557 0.157 18 0 "[ . 1 . 2]" 1
1101 1 64 ALA HA 1 67 ASN HB3 3.580 . 5.500 5.304 5.156 5.504 0.004 18 0 "[ . 1 . 2]" 1
1102 1 67 ASN HB2 1 67 ASN HD21 . . 3.400 2.107 2.105 2.109 . 0 0 "[ . 1 . 2]" 1
1103 1 67 ASN HB2 1 76 LEU MD1 4.100 . 5.500 2.925 2.431 3.243 . 0 0 "[ . 1 . 2]" 1
1104 1 67 ASN HB3 1 67 ASN HD21 3.370 . 3.400 3.243 3.230 3.253 . 0 0 "[ . 1 . 2]" 1
1105 1 67 ASN H 1 67 ASN HB2 . . 2.800 2.361 2.331 2.398 . 0 0 "[ . 1 . 2]" 1
1106 1 67 ASN HA 1 67 ASN HB3 2.780 . 2.800 2.491 2.472 2.507 . 0 0 "[ . 1 . 2]" 1
1107 1 68 GLU H 1 68 GLU HB3 3.720 . 5.500 4.066 4.045 4.073 . 0 0 "[ . 1 . 2]" 1
1108 1 68 GLU H 1 68 GLU HB2 3.630 . 5.500 3.594 3.561 3.618 . 0 0 "[ . 1 . 2]" 1
1109 1 72 MET H 1 72 MET QB 3.300 . 3.400 3.237 2.395 3.415 0.015 10 0 "[ . 1 . 2]" 1
1110 1 73 PRO HB2 1 74 THR H 3.940 . 5.500 2.010 1.791 3.401 0.009 6 0 "[ . 1 . 2]" 1
1111 1 73 PRO HB3 1 74 THR H 3.710 . 5.500 3.371 3.305 3.899 . 0 0 "[ . 1 . 2]" 1
1112 1 73 PRO HB3 1 73 PRO QD 3.550 . 5.500 3.000 2.883 3.210 . 0 0 "[ . 1 . 2]" 1
1113 1 24 ASP HA 1 75 LEU HB3 3.760 . 5.500 4.862 4.576 5.111 . 0 0 "[ . 1 . 2]" 1
1114 1 75 LEU HB3 1 75 LEU MD2 3.400 . 3.400 2.357 2.288 2.501 . 0 0 "[ . 1 . 2]" 1
1115 1 75 LEU H 1 75 LEU HB3 3.360 . 5.500 3.733 3.663 3.799 . 0 0 "[ . 1 . 2]" 1
1116 1 75 LEU H 1 75 LEU HB2 3.360 . 3.400 2.591 2.493 2.689 . 0 0 "[ . 1 . 2]" 1
1117 1 75 LEU HB2 1 75 LEU MD1 3.260 . 3.400 2.397 2.326 2.430 . 0 0 "[ . 1 . 2]" 1
1118 1 76 LEU HB3 1 78 PHE HZ 3.540 . 5.500 2.286 2.131 2.512 . 0 0 "[ . 1 . 2]" 1
1119 1 76 LEU HB2 1 78 PHE QE 3.310 . 3.400 2.747 2.418 3.040 . 0 0 "[ . 1 . 2]" 1
1120 1 77 LEU H 1 77 LEU HB3 3.920 . 5.500 3.700 3.686 3.710 . 0 0 "[ . 1 . 2]" 1
1121 1 82 LYS H 1 82 LYS HB3 3.590 . 5.500 3.786 3.729 3.874 . 0 0 "[ . 1 . 2]" 1
1122 1 80 ASN H 1 80 ASN HB2 3.490 . 5.500 3.437 2.952 3.498 . 0 0 "[ . 1 . 2]" 1
1123 1 80 ASN H 1 80 ASN HB3 3.710 . 5.500 3.974 3.530 4.032 . 0 0 "[ . 1 . 2]" 1
1124 1 80 ASN HA 1 80 ASN HB3 2.860 . 3.400 2.507 2.461 3.023 . 0 0 "[ . 1 . 2]" 1
1125 1 20 LEU MD1 1 102 ASN HB2 4.150 . 5.500 3.316 2.045 3.648 . 0 0 "[ . 1 . 2]" 1
1126 1 77 LEU MD2 1 102 ASN HB3 3.980 . 5.500 3.230 2.883 3.748 . 0 0 "[ . 1 . 2]" 1
1127 1 99 ILE HA 1 102 ASN HB3 3.870 . 5.500 4.418 4.237 4.649 . 0 0 "[ . 1 . 2]" 1
1128 1 99 ILE HA 1 102 ASN HB2 3.770 . 5.500 2.963 2.773 3.233 . 0 0 "[ . 1 . 2]" 1
1129 1 102 ASN H 1 102 ASN HB3 . . 3.400 3.551 3.532 3.563 0.163 2 0 "[ . 1 . 2]" 1
1130 1 20 LEU MD1 1 102 ASN HB3 3.640 . 5.500 2.400 1.820 2.745 . 0 0 "[ . 1 . 2]" 1
1131 1 77 LEU MD2 1 102 ASN HB2 3.600 . 5.500 2.854 2.628 3.124 . 0 0 "[ . 1 . 2]" 1
1132 1 102 ASN HB2 1 102 ASN QD . . 3.400 2.757 2.093 3.159 . 0 0 "[ . 1 . 2]" 1
1133 1 102 ASN H 1 102 ASN HB2 3.340 . 3.400 2.322 2.254 2.370 . 0 0 "[ . 1 . 2]" 1
1134 1 102 ASN HA 1 102 ASN HB3 2.970 . 3.400 2.524 2.485 2.593 . 0 0 "[ . 1 . 2]" 1
1135 1 3 THR HA 1 53 TYR HA 4.180 . 9.620 4.825 4.644 5.105 . 0 0 "[ . 1 . 2]" 1
1136 1 4 GLN HB2 1 5 PHE HD1 4.380 . 5.500 5.537 5.518 5.562 0.062 9 0 "[ . 1 . 2]" 1
1137 1 5 PHE HD1 1 10 GLU HA 3.900 . 5.500 5.358 4.929 5.517 0.017 4 0 "[ . 1 . 2]" 1
1138 1 5 PHE HD2 1 55 LEU HG 3.850 . 5.500 4.717 4.535 4.838 . 0 0 "[ . 1 . 2]" 1
1139 1 5 PHE HE2 1 11 PHE QB 3.770 . 5.500 3.520 3.272 3.903 . 0 0 "[ . 1 . 2]" 1
1140 1 5 PHE HE2 1 11 PHE HE1 3.270 . 3.400 3.174 2.877 3.371 . 0 0 "[ . 1 . 2]" 1
1141 1 5 PHE HD2 1 55 LEU HB2 2.980 . 3.400 3.438 3.419 3.456 0.056 15 0 "[ . 1 . 2]" 1
1142 1 5 PHE HZ 1 11 PHE QB 4.530 . 5.500 4.423 4.132 4.824 . 0 0 "[ . 1 . 2]" 1
1143 1 5 PHE HZ 1 11 PHE HE1 4.110 . 5.500 4.477 4.276 4.806 . 0 0 "[ . 1 . 2]" 1
1144 1 5 PHE HE2 1 55 LEU MD2 4.580 . 5.500 4.278 3.937 4.542 . 0 0 "[ . 1 . 2]" 1
1145 1 5 PHE HE1 1 10 GLU HA 4.430 . 5.500 5.269 4.763 5.503 0.003 13 0 "[ . 1 . 2]" 1
1146 1 5 PHE QE 1 53 TYR HA 4.380 . 5.500 4.752 4.688 4.814 . 0 0 "[ . 1 . 2]" 1
1147 1 5 PHE HD2 1 55 LEU HA 3.570 . 5.500 2.966 2.778 3.146 . 0 0 "[ . 1 . 2]" 1
1148 1 6 LYS QD 1 60 LEU QD 4.140 . 5.500 3.308 2.974 3.943 . 0 0 "[ . 1 . 2]" 1
1149 1 6 LYS H 1 6 LYS HB2 3.930 . 5.500 2.480 2.276 2.622 . 0 0 "[ . 1 . 2]" 1
1150 1 6 LYS H 1 6 LYS HB3 3.850 . 5.500 3.637 2.964 3.760 . 0 0 "[ . 1 . 2]" 1
1151 1 6 LYS QD 1 59 GLU HA 3.800 . 5.500 4.871 4.600 5.065 . 0 0 "[ . 1 . 2]" 1
1152 1 6 LYS HA 1 6 LYS HG3 3.510 . 5.500 3.678 2.624 3.804 . 0 0 "[ . 1 . 2]" 1
1153 1 6 LYS HA 1 6 LYS HG2 3.400 . 3.400 3.043 2.740 3.556 0.156 6 0 "[ . 1 . 2]" 1
1154 1 6 LYS HA 1 6 LYS HB3 2.830 . 3.400 2.528 2.462 2.936 . 0 0 "[ . 1 . 2]" 1
1155 1 9 SER QB 1 10 GLU QG 3.830 . 5.500 3.598 3.153 5.614 0.114 4 0 "[ . 1 . 2]" 1
1156 1 8 ALA HA 1 9 SER QB 3.400 . 5.500 5.164 4.232 5.378 . 0 0 "[ . 1 . 2]" 1
1157 1 8 ALA HA 1 9 SER H 2.580 . 5.500 3.323 2.090 3.473 . 0 0 "[ . 1 . 2]" 1
1158 1 11 PHE HD2 1 63 VAL HB 4.750 . 5.500 5.055 4.680 5.504 0.004 16 0 "[ . 1 . 2]" 1
1159 1 11 PHE HE1 1 78 PHE HB2 4.030 . 5.500 4.286 4.059 4.556 . 0 0 "[ . 1 . 2]" 1
1160 1 11 PHE HE1 1 14 ALA MB 3.570 . 5.500 2.727 2.404 3.291 . 0 0 "[ . 1 . 2]" 1
1161 1 11 PHE HE2 1 23 VAL HB 2.980 . 3.400 3.413 3.393 3.430 0.030 17 0 "[ . 1 . 2]" 1
1162 1 9 SER HA 1 12 ASP HB3 3.660 . 5.500 2.996 2.528 3.540 . 0 0 "[ . 1 . 2]" 1
1163 1 11 PHE HA 1 12 ASP HA 3.150 . 5.500 4.840 4.636 4.908 . 0 0 "[ . 1 . 2]" 1
1164 1 12 ASP HA 1 12 ASP HB2 . . 2.800 2.455 2.448 2.462 . 0 0 "[ . 1 . 2]" 1
1165 1 13 SER HA 1 16 ALA H 3.920 . 5.500 3.484 3.094 3.795 . 0 0 "[ . 1 . 2]" 1
1166 1 14 ALA MB 1 15 ILE MD 4.040 . 5.500 4.640 4.483 4.761 . 0 0 "[ . 1 . 2]" 1
1167 1 14 ALA HA 1 18 ASP HB3 3.840 . 5.500 4.138 3.406 4.606 . 0 0 "[ . 1 . 2]" 1
1168 1 15 ILE HB 1 81 GLY HA2 4.030 . 5.500 2.036 1.906 2.510 . 0 0 "[ . 1 . 2]" 1
1169 1 17 GLN HE22 1 17 GLN HG2 3.520 . 5.500 3.609 3.430 3.944 . 0 0 "[ . 1 . 2]" 1
1170 1 17 GLN HE22 1 17 GLN HG3 3.520 . 5.500 3.792 3.436 3.974 . 0 0 "[ . 1 . 2]" 1
1171 1 17 GLN HE21 1 17 GLN HG2 3.120 . 3.400 2.505 2.111 3.262 . 0 0 "[ . 1 . 2]" 1
1172 1 20 LEU MD1 1 77 LEU HA 4.170 . 5.500 2.954 2.618 4.432 . 0 0 "[ . 1 . 2]" 1
1173 1 20 LEU MD1 1 103 ALA HA 4.140 . 5.500 4.510 2.432 4.901 . 0 0 "[ . 1 . 2]" 1
1174 1 20 LEU MD1 1 22 VAL MG2 4.030 . 5.500 3.604 3.175 3.941 . 0 0 "[ . 1 . 2]" 1
1175 1 20 LEU MD2 1 102 ASN HB2 3.890 . 5.500 1.967 1.798 3.950 0.002 16 0 "[ . 1 . 2]" 1
1176 1 20 LEU MD2 1 102 ASN HB3 3.810 . 5.500 2.049 1.822 4.318 . 0 0 "[ . 1 . 2]" 1
1177 1 20 LEU HG 1 50 ALA HA 3.650 . 5.500 5.090 4.519 5.537 0.037 2 0 "[ . 1 . 2]" 1
1178 1 20 LEU MD1 1 21 VAL H 3.620 . 5.500 2.931 2.682 4.665 . 0 0 "[ . 1 . 2]" 1
1179 1 20 LEU MD2 1 22 VAL MG2 3.500 . 5.500 3.114 1.794 3.454 0.006 2 0 "[ . 1 . 2]" 1
1180 1 20 LEU MD2 1 103 ALA MB 2.690 . 2.800 2.058 1.829 2.599 . 0 0 "[ . 1 . 2]" 1
1181 1 20 LEU MD1 1 77 LEU HB3 2.660 . 2.800 1.864 1.794 2.430 0.006 7 0 "[ . 1 . 2]" 1
1182 1 20 LEU H 1 20 LEU MD1 4.380 . 5.500 4.221 4.167 4.390 . 0 0 "[ . 1 . 2]" 1
1183 1 21 VAL MG1 1 23 VAL H 4.050 . 5.500 3.489 3.295 4.036 . 0 0 "[ . 1 . 2]" 1
1184 1 21 VAL MG2 1 80 ASN H 3.970 . 5.500 5.005 4.775 5.231 . 0 0 "[ . 1 . 2]" 1
1185 1 14 ALA HA 1 21 VAL MG1 3.900 . 5.500 4.580 4.165 5.168 . 0 0 "[ . 1 . 2]" 1
1186 1 11 PHE HE1 1 21 VAL MG1 3.490 . 5.500 2.976 2.504 3.295 . 0 0 "[ . 1 . 2]" 1
1187 1 21 VAL MG1 1 23 VAL MG2 3.330 . 3.400 1.927 1.784 2.300 0.016 11 0 "[ . 1 . 2]" 1
1188 1 20 LEU HA 1 21 VAL HB 3.030 . 5.500 4.650 4.620 4.674 . 0 0 "[ . 1 . 2]" 1
1189 1 23 VAL MG1 1 53 TYR HB2 4.580 . 5.500 3.279 3.062 3.591 . 0 0 "[ . 1 . 2]" 1
1190 1 23 VAL MG1 1 53 TYR HB3 4.490 . 5.500 3.121 2.871 3.546 . 0 0 "[ . 1 . 2]" 1
1191 1 21 VAL MG2 1 51 ASP HB3 4.230 . 5.500 3.304 3.107 3.527 . 0 0 "[ . 1 . 2]" 1
1192 1 21 VAL MG1 1 51 ASP HB3 3.930 . 5.500 2.849 2.603 3.214 . 0 0 "[ . 1 . 2]" 1
1193 1 23 VAL MG2 1 53 TYR HB2 3.840 . 5.500 2.058 1.893 2.307 . 0 0 "[ . 1 . 2]" 1
1194 1 23 VAL MG2 1 53 TYR HB3 3.790 . 5.500 3.025 2.632 3.272 . 0 0 "[ . 1 . 2]" 1
1195 1 21 VAL HA 1 22 VAL MG2 4.700 . 5.500 3.538 3.376 3.726 . 0 0 "[ . 1 . 2]" 1
1196 1 22 VAL MG2 1 52 PHE HE2 4.410 . 5.500 3.480 2.930 4.334 . 0 0 "[ . 1 . 2]" 1
1197 1 22 VAL MG1 1 77 LEU HA 4.330 . 5.500 4.192 3.629 4.717 . 0 0 "[ . 1 . 2]" 1
1198 1 21 VAL HA 1 22 VAL HA 3.100 . 5.500 4.386 4.375 4.403 . 0 0 "[ . 1 . 2]" 1
1199 1 23 VAL MG1 1 54 LYS HA 4.370 . 5.500 2.401 2.093 2.805 . 0 0 "[ . 1 . 2]" 1
1200 1 5 PHE HE2 1 23 VAL MG2 3.500 . 5.500 1.872 1.812 1.949 . 0 0 "[ . 1 . 2]" 1
1201 1 23 VAL MG1 1 55 LEU HB2 2.900 . 3.400 1.894 1.822 2.023 . 0 0 "[ . 1 . 2]" 1
1202 1 23 VAL MG2 1 24 ASP H 4.520 . 5.500 4.061 3.922 4.166 . 0 0 "[ . 1 . 2]" 1
1203 1 24 ASP HA 1 25 PHE HD1 3.740 . 5.500 3.050 2.951 3.216 . 0 0 "[ . 1 . 2]" 1
1204 1 24 ASP H 1 54 LYS HB3 4.480 . 5.500 3.800 3.571 3.975 . 0 0 "[ . 1 . 2]" 1
1205 1 24 ASP H 1 54 LYS HB2 4.310 . 5.500 4.808 4.634 5.035 . 0 0 "[ . 1 . 2]" 1
1206 1 24 ASP H 1 26 TYR HD2 4.380 . 5.500 5.287 5.216 5.452 . 0 0 "[ . 1 . 2]" 1
1207 1 25 PHE HD1 1 74 THR HB 4.940 . 5.500 4.319 4.118 4.590 . 0 0 "[ . 1 . 2]" 1
1208 1 25 PHE HD2 1 55 LEU MD2 4.880 . 5.500 4.721 4.612 4.905 . 0 0 "[ . 1 . 2]" 1
1209 1 25 PHE HD2 1 63 VAL MG1 4.840 . 5.500 3.716 3.459 3.952 . 0 0 "[ . 1 . 2]" 1
1210 1 23 VAL MG1 1 25 PHE HZ 4.810 . 5.500 4.081 3.785 4.323 . 0 0 "[ . 1 . 2]" 1
1211 1 25 PHE HZ 1 69 VAL MG2 4.750 . 5.500 5.056 4.405 5.383 . 0 0 "[ . 1 . 2]" 1
1212 1 25 PHE HZ 1 55 LEU MD2 4.430 . 5.500 3.883 3.805 3.982 . 0 0 "[ . 1 . 2]" 1
1213 1 25 PHE HE2 1 63 VAL HA 4.400 . 5.500 3.881 3.643 4.302 . 0 0 "[ . 1 . 2]" 1
1214 1 25 PHE HD2 1 57 VAL HA 4.390 . 5.500 4.982 4.484 5.370 . 0 0 "[ . 1 . 2]" 1
1215 1 23 VAL HB 1 25 PHE HZ 4.120 . 5.500 4.664 4.406 5.008 . 0 0 "[ . 1 . 2]" 1
1216 1 25 PHE HZ 1 67 ASN HB2 4.070 . 5.500 4.697 4.312 4.909 . 0 0 "[ . 1 . 2]" 1
1217 1 25 PHE HZ 1 76 LEU MD1 4.070 . 5.500 2.550 2.423 2.689 . 0 0 "[ . 1 . 2]" 1
1218 1 25 PHE HZ 1 63 VAL MG1 3.880 . 5.500 2.334 1.889 2.857 . 0 0 "[ . 1 . 2]" 1
1219 1 25 PHE HZ 1 64 ALA HA 3.850 . 5.500 5.192 4.898 5.515 0.015 19 0 "[ . 1 . 2]" 1
1220 1 25 PHE HZ 1 76 LEU HB2 3.840 . 5.500 4.328 4.171 4.447 . 0 0 "[ . 1 . 2]" 1
1221 1 25 PHE HD1 1 76 LEU MD1 3.840 . 5.500 3.068 2.946 3.204 . 0 0 "[ . 1 . 2]" 1
1222 1 25 PHE HD1 1 75 LEU HA 3.800 . 5.500 4.567 4.375 4.646 . 0 0 "[ . 1 . 2]" 1
1223 1 25 PHE HE2 1 55 LEU MD2 3.790 . 5.500 3.959 3.833 4.123 . 0 0 "[ . 1 . 2]" 1
1224 1 25 PHE HZ 1 55 LEU HB3 3.760 . 5.500 4.779 4.669 4.912 . 0 0 "[ . 1 . 2]" 1
1225 1 25 PHE HZ 1 76 LEU HG 3.720 . 5.500 4.882 4.781 5.005 . 0 0 "[ . 1 . 2]" 1
1226 1 25 PHE HE2 1 67 ASN HB2 3.700 . 5.500 3.741 3.502 4.087 . 0 0 "[ . 1 . 2]" 1
1227 1 25 PHE HE1 1 76 LEU HB2 3.070 . 3.400 2.321 2.234 2.382 . 0 0 "[ . 1 . 2]" 1
1228 1 25 PHE HD1 1 76 LEU HB2 3.550 . 5.500 3.204 2.961 3.388 . 0 0 "[ . 1 . 2]" 1
1229 1 25 PHE HD1 1 76 LEU HB3 3.540 . 5.500 4.726 4.457 4.933 . 0 0 "[ . 1 . 2]" 1
1230 1 11 PHE HD2 1 25 PHE HZ 3.520 . 5.500 4.119 3.794 4.492 . 0 0 "[ . 1 . 2]" 1
1231 1 25 PHE HE1 1 55 LEU HB3 3.480 . 5.500 4.120 3.971 4.266 . 0 0 "[ . 1 . 2]" 1
1232 1 25 PHE HD2 1 55 LEU MD1 3.320 . 3.400 2.917 2.744 3.102 . 0 0 "[ . 1 . 2]" 1
1233 1 25 PHE HD2 1 57 VAL MG2 3.310 . 3.400 3.435 3.340 3.462 0.062 5 0 "[ . 1 . 2]" 1
1234 1 25 PHE HD2 1 64 ALA HA 3.300 . 3.400 1.875 1.791 1.960 0.009 17 0 "[ . 1 . 2]" 1
1235 1 25 PHE HE1 1 76 LEU HB3 3.290 . 3.400 3.449 3.430 3.466 0.066 5 0 "[ . 1 . 2]" 1
1236 1 25 PHE HE2 1 55 LEU MD1 3.260 . 3.400 3.373 3.166 3.429 0.029 6 0 "[ . 1 . 2]" 1
1237 1 25 PHE HE1 1 78 PHE HZ 3.030 . 3.400 3.417 3.409 3.427 0.027 9 0 "[ . 1 . 2]" 1
1238 1 25 PHE HE1 1 76 LEU HG 2.910 . 3.400 3.420 3.406 3.437 0.037 8 0 "[ . 1 . 2]" 1
1239 1 25 PHE HD2 1 69 VAL HB 2.850 . 3.400 3.326 3.195 3.414 0.014 4 0 "[ . 1 . 2]" 1
1240 1 26 TYR HD1 1 27 ALA MB 5.200 . 5.500 4.932 4.765 5.121 . 0 0 "[ . 1 . 2]" 1
1241 1 26 TYR HD2 1 36 ILE MG 5.500 . 5.500 3.818 3.330 4.130 . 0 0 "[ . 1 . 2]" 1
1242 1 26 TYR HD2 1 40 ILE MD 5.300 . 5.500 3.388 3.145 3.534 . 0 0 "[ . 1 . 2]" 1
1243 1 26 TYR HD1 1 57 VAL HB 4.710 . 5.500 3.697 3.517 3.926 . 0 0 "[ . 1 . 2]" 1
1244 1 26 TYR HD1 1 28 THR HB 4.690 . 5.500 5.111 4.924 5.244 . 0 0 "[ . 1 . 2]" 1
1245 1 25 PHE HA 1 26 TYR HE1 4.580 . 5.500 5.522 5.447 5.555 0.055 5 0 "[ . 1 . 2]" 1
1246 1 4 GLN HA 1 26 TYR HE2 4.480 . 5.500 4.561 4.273 4.840 . 0 0 "[ . 1 . 2]" 1
1247 1 26 TYR HD1 1 33 CYS HB2 4.430 . 5.500 5.049 4.656 5.355 . 0 0 "[ . 1 . 2]" 1
1248 1 26 TYR HB2 1 26 TYR HE1 4.250 . 5.500 4.871 4.853 4.898 . 0 0 "[ . 1 . 2]" 1
1249 1 26 TYR HD1 1 56 ASP HA 4.230 . 5.500 3.633 3.461 3.840 . 0 0 "[ . 1 . 2]" 1
1250 1 26 TYR HE2 1 36 ILE MG 4.190 . 5.500 4.875 4.464 5.081 . 0 0 "[ . 1 . 2]" 1
1251 1 26 TYR HE1 1 28 THR HB 4.170 . 5.500 5.531 5.508 5.556 0.056 1 0 "[ . 1 . 2]" 1
1252 1 26 TYR HD1 1 27 ALA HA 4.160 . 5.500 4.341 4.192 4.599 . 0 0 "[ . 1 . 2]" 1
1253 1 4 GLN HG3 1 26 TYR HE2 4.100 . 5.500 4.737 3.165 5.519 0.019 10 0 "[ . 1 . 2]" 1
1254 1 25 PHE HA 1 26 TYR HD1 4.020 . 5.500 4.883 4.772 4.934 . 0 0 "[ . 1 . 2]" 1
1255 1 26 TYR HD2 1 54 LYS HA 4.010 . 5.500 5.094 4.908 5.258 . 0 0 "[ . 1 . 2]" 1
1256 1 26 TYR HE1 1 55 LEU HA 3.990 . 5.500 5.540 5.508 5.564 0.064 1 0 "[ . 1 . 2]" 1
1257 1 4 GLN HG2 1 26 TYR HE2 3.980 . 5.500 3.692 2.871 5.486 . 0 0 "[ . 1 . 2]" 1
1258 1 24 ASP HB3 1 26 TYR HE2 3.910 . 5.500 3.861 3.507 5.517 0.017 11 0 "[ . 1 . 2]" 1
1259 1 26 TYR HE1 1 56 ASP HA 3.870 . 5.500 2.040 1.833 2.368 . 0 0 "[ . 1 . 2]" 1
1260 1 26 TYR HE2 1 54 LYS HA 3.840 . 5.500 4.094 3.860 4.266 . 0 0 "[ . 1 . 2]" 1
1261 1 26 TYR HE1 1 56 ASP HB2 3.710 . 5.500 4.148 3.562 5.050 . 0 0 "[ . 1 . 2]" 1
1262 1 26 TYR HD1 1 28 THR HA 3.690 . 5.500 3.967 3.729 4.290 . 0 0 "[ . 1 . 2]" 1
1263 1 26 TYR HE1 1 56 ASP HB3 3.580 . 5.500 4.500 3.563 5.170 . 0 0 "[ . 1 . 2]" 1
1264 1 26 TYR HD2 1 36 ILE QG 3.470 . 5.500 5.138 4.071 5.522 0.022 11 0 "[ . 1 . 2]" 1
1265 1 26 TYR HD2 1 73 PRO QG 3.430 . 5.500 5.333 4.831 5.552 0.052 4 0 "[ . 1 . 2]" 1
1266 1 26 TYR HE1 1 28 THR HA 3.430 . 5.500 4.853 4.477 5.450 . 0 0 "[ . 1 . 2]" 1
1267 1 26 TYR HE2 1 37 ALA MB 3.410 . 5.500 4.374 3.700 4.878 . 0 0 "[ . 1 . 2]" 1
1268 1 26 TYR HE2 1 54 LYS HB2 3.310 . 3.400 2.894 2.741 3.121 . 0 0 "[ . 1 . 2]" 1
1269 1 26 TYR HD2 1 54 LYS HB3 3.280 . 3.400 3.520 3.435 3.630 0.230 17 0 "[ . 1 . 2]" 1
1270 1 26 TYR HE2 1 54 LYS HB3 3.120 . 5.500 1.795 1.747 1.861 0.053 1 0 "[ . 1 . 2]" 1
1271 1 26 TYR H 1 55 LEU MD1 4.980 . 5.500 4.776 4.511 5.066 . 0 0 "[ . 1 . 2]" 1
1272 1 28 THR MG 1 29 TRP HD1 5.070 . 5.500 2.026 1.873 2.259 . 0 0 "[ . 1 . 2]" 1
1273 1 28 THR HB 1 29 TRP HD1 4.800 . 5.500 4.636 4.398 4.938 . 0 0 "[ . 1 . 2]" 1
1274 1 27 ALA HA 1 29 TRP HD1 4.580 . 5.500 4.616 4.251 5.154 . 0 0 "[ . 1 . 2]" 1
1275 1 27 ALA MB 1 29 TRP HD1 4.340 . 5.500 3.185 2.745 3.842 . 0 0 "[ . 1 . 2]" 1
1276 1 5 PHE HD1 1 10 GLU QG 3.810 . 5.500 4.109 1.995 4.667 . 0 0 "[ . 1 . 2]" 1
1277 1 30 CYS HB3 1 33 CYS H 4.260 . 5.500 3.840 3.215 5.523 0.023 12 0 "[ . 1 . 2]" 1
1278 1 36 ILE MG 1 38 PRO HD2 4.530 . 5.500 4.308 4.195 4.421 . 0 0 "[ . 1 . 2]" 1
1279 1 36 ILE H 1 36 ILE MD 4.480 . 5.500 3.495 1.865 3.833 . 0 0 "[ . 1 . 2]" 1
1280 1 34 LYS HA 1 36 ILE MD 4.410 . 5.500 4.913 3.896 5.550 0.050 9 0 "[ . 1 . 2]" 1
1281 1 34 LYS HA 1 36 ILE MG 4.190 . 5.500 5.536 5.484 5.567 0.067 6 0 "[ . 1 . 2]" 1
1282 1 36 ILE HB 1 73 PRO HB3 3.820 . 5.500 4.905 4.461 5.334 . 0 0 "[ . 1 . 2]" 1
1283 1 34 LYS HA 1 37 ALA MB 4.430 . 5.500 3.903 3.203 4.255 . 0 0 "[ . 1 . 2]" 1
1284 1 37 ALA MB 1 38 PRO QG 3.740 . 5.500 3.845 3.727 4.002 . 0 0 "[ . 1 . 2]" 1
1285 1 37 ALA HA 1 38 PRO HD3 3.670 . 5.500 4.092 4.039 4.145 . 0 0 "[ . 1 . 2]" 1
1286 1 36 ILE MG 1 38 PRO HD3 4.430 . 5.500 5.569 5.539 5.606 0.106 14 0 "[ . 1 . 2]" 1
1287 1 38 PRO HA 1 38 PRO HD3 3.500 . 5.500 3.687 3.596 3.733 . 0 0 "[ . 1 . 2]" 1
1288 1 38 PRO HD2 1 38 PRO HG2 2.920 . 3.400 2.270 2.262 2.285 . 0 0 "[ . 1 . 2]" 1
1289 1 39 MET HG3 1 40 ILE H 3.950 . 5.500 4.435 3.724 4.860 . 0 0 "[ . 1 . 2]" 1
1290 1 39 MET HA 1 39 MET HG3 3.930 . 5.500 2.894 2.380 3.720 . 0 0 "[ . 1 . 2]" 1
1291 1 39 MET HG3 1 43 PHE HE1 3.680 . 5.500 3.182 1.966 5.266 . 0 0 "[ . 1 . 2]" 1
1292 1 36 ILE HB 1 40 ILE QG 3.620 . 5.500 3.735 3.390 4.070 . 0 0 "[ . 1 . 2]" 1
1293 1 40 ILE HA 1 40 ILE MG 3.480 . 5.500 2.467 2.383 2.512 . 0 0 "[ . 1 . 2]" 1
1294 1 36 ILE HA 1 40 ILE HB 3.140 . 5.500 5.540 5.523 5.561 0.061 12 0 "[ . 1 . 2]" 1
1295 1 39 MET HG2 1 43 PHE HD1 4.150 . 5.500 4.474 3.215 5.571 0.071 14 0 "[ . 1 . 2]" 1
1296 1 39 MET HB3 1 43 PHE HD1 4.090 . 5.500 4.449 3.123 5.302 . 0 0 "[ . 1 . 2]" 1
1297 1 43 PHE HD2 1 47 TYR HE2 3.350 . 3.400 3.406 3.321 3.425 0.025 2 0 "[ . 1 . 2]" 1
1298 1 43 PHE HD2 1 95 ILE QG 3.020 . 3.400 2.980 2.597 3.259 . 0 0 "[ . 1 . 2]" 1
1299 1 43 PHE HE2 1 92 PRO HA 3.420 . 5.500 4.276 3.530 5.156 . 0 0 "[ . 1 . 2]" 1
1300 1 42 LYS QB 1 46 GLN HE21 4.420 . 5.500 4.402 3.821 5.520 0.020 13 0 "[ . 1 . 2]" 1
1301 1 46 GLN QB 1 46 GLN HE22 4.020 . 5.500 3.905 3.875 4.294 . 0 0 "[ . 1 . 2]" 1
1302 1 46 GLN QB 1 46 GLN HE21 3.770 . 5.500 3.390 3.351 3.839 . 0 0 "[ . 1 . 2]" 1
1303 1 47 TYR HE2 1 97 GLN HA 4.470 . 5.500 5.520 5.510 5.538 0.038 2 0 "[ . 1 . 2]" 1
1304 1 47 TYR H 1 48 PRO HG2 3.590 . 5.500 5.106 5.007 5.264 . 0 0 "[ . 1 . 2]" 1
1305 1 47 TYR HD1 1 100 ALA MB 4.410 . 5.500 4.403 3.907 4.701 . 0 0 "[ . 1 . 2]" 1
1306 1 43 PHE HA 1 47 TYR HD2 4.080 . 5.500 4.203 3.962 4.536 . 0 0 "[ . 1 . 2]" 1
1307 1 47 TYR HD2 1 48 PRO HD3 4.050 . 5.500 5.558 5.542 5.583 0.083 9 0 "[ . 1 . 2]" 1
1308 1 47 TYR HD2 1 99 ILE MD 3.790 . 5.500 3.480 2.325 5.131 . 0 0 "[ . 1 . 2]" 1
1309 1 46 GLN QB 1 47 TYR HD2 3.140 . 3.400 3.053 2.694 3.233 . 0 0 "[ . 1 . 2]" 1
1310 1 47 TYR HA 1 48 PRO HD3 . . 3.400 3.343 3.288 3.441 0.041 11 0 "[ . 1 . 2]" 1
1311 1 48 PRO HB3 1 48 PRO HD3 3.990 . 5.500 3.870 3.147 3.961 . 0 0 "[ . 1 . 2]" 1
1312 1 48 PRO HD3 1 49 GLN H 4.580 . 5.500 4.303 4.166 4.408 . 0 0 "[ . 1 . 2]" 1
1313 1 22 VAL MG2 1 50 ALA MB 3.670 . 5.500 2.925 2.572 3.314 . 0 0 "[ . 1 . 2]" 1
1314 1 21 VAL MG2 1 51 ASP HA 4.140 . 5.500 4.384 4.200 4.571 . 0 0 "[ . 1 . 2]" 1
1315 1 21 VAL MG1 1 51 ASP HB2 3.910 . 5.500 2.135 1.962 2.608 . 0 0 "[ . 1 . 2]" 1
1316 1 51 ASP HA 1 53 TYR H 3.070 . 5.500 5.256 4.953 5.530 0.030 13 0 "[ . 1 . 2]" 1
1317 1 50 ALA MB 1 52 PHE H 5.240 . 5.500 4.935 4.715 5.349 . 0 0 "[ . 1 . 2]" 1
1318 1 51 ASP HB3 1 52 PHE H 3.190 . 3.400 3.240 2.681 3.425 0.025 20 0 "[ . 1 . 2]" 1
1319 1 40 ILE MG 1 52 PHE HA 4.500 . 5.500 3.576 3.255 3.889 . 0 0 "[ . 1 . 2]" 1
1320 1 52 PHE HA 1 53 TYR HB2 3.630 . 5.500 4.564 4.469 4.625 . 0 0 "[ . 1 . 2]" 1
1321 1 43 PHE HB2 1 52 PHE HE2 4.450 . 5.500 2.214 2.074 2.563 . 0 0 "[ . 1 . 2]" 1
1322 1 47 TYR HD2 1 52 PHE QE 4.270 . 5.500 3.525 3.345 3.665 . 0 0 "[ . 1 . 2]" 1
1323 1 52 PHE HB3 1 52 PHE HE2 3.890 . 5.500 4.594 4.590 4.597 . 0 0 "[ . 1 . 2]" 1
1324 1 52 PHE HE2 1 95 ILE MD 3.840 . 5.500 3.653 3.164 3.923 . 0 0 "[ . 1 . 2]" 1
1325 1 52 PHE HZ 1 95 ILE MD 4.810 . 5.500 5.290 4.957 5.507 0.007 8 0 "[ . 1 . 2]" 1
1326 1 43 PHE HB2 1 52 PHE HZ 3.870 . 5.500 3.947 3.728 4.195 . 0 0 "[ . 1 . 2]" 1
1327 1 40 ILE QG 1 52 PHE HD2 3.510 . 5.500 4.140 3.915 4.338 . 0 0 "[ . 1 . 2]" 1
1328 1 22 VAL MG1 1 52 PHE HD2 3.420 . 5.500 3.628 3.078 4.199 . 0 0 "[ . 1 . 2]" 1
1329 1 40 ILE MG 1 52 PHE HD2 3.350 . 3.400 2.305 1.903 2.700 . 0 0 "[ . 1 . 2]" 1
1330 1 47 TYR HD2 1 52 PHE HZ 3.090 . 3.400 2.264 1.958 2.470 . 0 0 "[ . 1 . 2]" 1
1331 1 23 VAL MG2 1 53 TYR H 4.720 . 5.500 2.847 2.548 2.997 . 0 0 "[ . 1 . 2]" 1
1332 1 52 PHE HB2 1 53 TYR H 4.580 . 5.500 4.493 4.432 4.523 . 0 0 "[ . 1 . 2]" 1
1333 1 2 VAL HA 1 53 TYR HD1 4.540 . 5.500 4.731 4.440 5.035 . 0 0 "[ . 1 . 2]" 1
1334 1 1 MET HG3 1 53 TYR HE1 4.450 . 5.500 5.186 4.742 5.511 0.011 15 0 "[ . 1 . 2]" 1
1335 1 23 VAL MG1 1 53 TYR HD2 4.380 . 5.500 5.116 4.942 5.333 . 0 0 "[ . 1 . 2]" 1
1336 1 53 TYR HB2 1 53 TYR HE2 3.860 . 5.500 4.619 4.611 4.626 . 0 0 "[ . 1 . 2]" 1
1337 1 21 VAL MG2 1 53 TYR HD2 3.410 . 5.500 3.133 2.924 3.337 . 0 0 "[ . 1 . 2]" 1
1338 1 21 VAL MG2 1 53 TYR HE2 3.390 . 3.400 3.360 3.179 3.413 0.013 11 0 "[ . 1 . 2]" 1
1339 1 36 ILE MG 1 54 LYS HB3 3.930 . 5.500 5.478 5.149 5.577 0.077 17 0 "[ . 1 . 2]" 1
1340 1 54 LYS HB3 1 55 LEU H 3.750 . 5.500 2.961 2.406 3.233 . 0 0 "[ . 1 . 2]" 1
1341 1 5 PHE HB3 1 55 LEU MD2 4.430 . 5.500 3.085 2.786 3.383 . 0 0 "[ . 1 . 2]" 1
1342 1 55 LEU MD1 1 63 VAL HB 4.230 . 5.500 2.456 2.093 2.743 . 0 0 "[ . 1 . 2]" 1
1343 1 55 LEU HG 1 63 VAL HB 4.190 . 5.500 3.104 2.811 3.546 . 0 0 "[ . 1 . 2]" 1
1344 1 11 PHE HD2 1 55 LEU MD2 4.010 . 5.500 2.049 1.821 2.359 . 0 0 "[ . 1 . 2]" 1
1345 1 56 ASP HB3 1 60 LEU MD1 4.750 . 5.500 2.592 1.821 4.505 . 0 0 "[ . 1 . 2]" 1
1346 1 56 ASP HA 1 60 LEU H 4.000 . 5.500 4.837 4.439 5.517 0.017 3 0 "[ . 1 . 2]" 1
1347 1 6 LYS HA 1 56 ASP HB3 3.360 . 3.400 3.390 3.200 3.437 0.037 15 0 "[ . 1 . 2]" 1
1348 1 55 LEU MD1 1 57 VAL H 4.490 . 5.500 3.420 3.045 3.730 . 0 0 "[ . 1 . 2]" 1
1349 1 57 VAL HB 1 58 ASP HA 3.540 . 5.500 4.728 4.471 5.174 . 0 0 "[ . 1 . 2]" 1
1350 1 27 ALA H 1 57 VAL HB 3.380 . 5.500 4.683 4.559 4.873 . 0 0 "[ . 1 . 2]" 1
1351 1 28 THR HA 1 57 VAL HB 3.090 . 3.400 3.479 3.438 3.515 0.115 17 0 "[ . 1 . 2]" 1
1352 1 57 VAL MG1 1 61 GLY HA2 4.560 . 5.500 2.945 2.409 3.865 . 0 0 "[ . 1 . 2]" 1
1353 1 29 TRP HD1 1 57 VAL MG1 4.540 . 5.500 3.818 3.441 4.335 . 0 0 "[ . 1 . 2]" 1
1354 1 57 VAL MG1 1 60 LEU H 4.420 . 5.500 5.302 4.822 5.523 0.023 17 0 "[ . 1 . 2]" 1
1355 1 57 VAL MG1 1 70 SER HB2 3.500 . 5.500 5.526 5.502 5.573 0.073 4 0 "[ . 1 . 2]" 1
1356 1 28 THR MG 1 57 VAL MG1 3.030 . 3.400 2.087 1.851 2.390 . 0 0 "[ . 1 . 2]" 1
1357 1 6 LYS QE 1 59 GLU HB2 3.650 . 5.500 3.958 2.170 4.764 . 0 0 "[ . 1 . 2]" 1
1358 1 6 LYS QD 1 59 GLU HB2 2.540 . 2.800 2.758 2.507 2.832 0.032 15 0 "[ . 1 . 2]" 1
1359 1 5 PHE HD2 1 60 LEU MD2 4.690 . 5.500 4.101 3.537 5.251 . 0 0 "[ . 1 . 2]" 1
1360 1 7 THR HA 1 60 LEU MD1 4.610 . 5.500 3.219 2.644 3.657 . 0 0 "[ . 1 . 2]" 1
1361 1 56 ASP HB3 1 60 LEU MD2 4.550 . 5.500 4.087 1.863 5.206 . 0 0 "[ . 1 . 2]" 1
1362 1 56 ASP HA 1 60 LEU MD2 4.240 . 5.500 5.289 3.779 5.509 0.009 1 0 "[ . 1 . 2]" 1
1363 1 60 LEU HB3 1 61 GLY H 3.940 . 5.500 4.178 2.888 4.438 . 0 0 "[ . 1 . 2]" 1
1364 1 5 PHE HB2 1 60 LEU MD2 3.770 . 5.500 2.832 2.353 3.458 . 0 0 "[ . 1 . 2]" 1
1365 1 60 LEU HB3 1 60 LEU MD2 3.230 . 3.400 2.310 2.172 3.195 . 0 0 "[ . 1 . 2]" 1
1366 1 60 LEU HB3 1 63 VAL HB 3.140 . 3.400 2.934 2.486 3.394 . 0 0 "[ . 1 . 2]" 1
1367 1 60 LEU HB2 1 60 LEU MD1 2.500 . 2.800 2.333 2.211 3.120 0.320 9 0 "[ . 1 . 2]" 1
1368 1 58 ASP H 1 61 GLY H 3.770 . 5.500 4.901 3.372 5.503 0.003 18 0 "[ . 1 . 2]" 1
1369 1 61 GLY HA3 1 64 ALA MB 4.250 . 5.500 4.322 3.893 4.654 . 0 0 "[ . 1 . 2]" 1
1370 1 61 GLY HA3 1 65 GLN QB 3.960 . 5.500 5.027 4.616 5.505 0.005 19 0 "[ . 1 . 2]" 1
1371 1 61 GLY HA2 1 65 GLN QB 3.930 . 5.500 4.873 4.294 5.488 . 0 0 "[ . 1 . 2]" 1
1372 1 61 GLY HA3 1 64 ALA H 3.540 . 5.500 4.917 4.449 5.399 . 0 0 "[ . 1 . 2]" 1
1373 1 11 PHE HD2 1 63 VAL MG2 4.510 . 5.500 3.923 3.575 4.344 . 0 0 "[ . 1 . 2]" 1
1374 1 63 VAL MG1 1 64 ALA HA 4.360 . 5.500 3.916 3.746 4.112 . 0 0 "[ . 1 . 2]" 1
1375 1 55 LEU HG 1 63 VAL MG1 3.880 . 5.500 2.566 1.969 2.881 . 0 0 "[ . 1 . 2]" 1
1376 1 63 VAL HA 1 63 VAL MG1 . . 3.400 2.309 2.278 2.349 . 0 0 "[ . 1 . 2]" 1
1377 1 60 LEU HB3 1 63 VAL MG2 2.830 . 3.400 1.884 1.811 2.002 . 0 0 "[ . 1 . 2]" 1
1378 1 63 VAL MG1 1 64 ALA H 4.340 . 5.500 3.638 3.436 3.989 . 0 0 "[ . 1 . 2]" 1
1379 1 64 ALA MB 1 70 SER HA 4.390 . 5.500 3.478 2.905 4.283 . 0 0 "[ . 1 . 2]" 1
1380 1 64 ALA MB 1 69 VAL MG2 4.160 . 5.500 4.450 3.674 4.680 . 0 0 "[ . 1 . 2]" 1
1381 1 55 LEU MD1 1 64 ALA HA 3.670 . 5.500 3.998 3.859 4.179 . 0 0 "[ . 1 . 2]" 1
1382 1 55 LEU MD1 1 64 ALA MB 3.480 . 5.500 2.998 2.738 3.238 . 0 0 "[ . 1 . 2]" 1
1383 1 57 VAL HB 1 64 ALA MB 3.540 . 5.500 4.352 4.128 4.626 . 0 0 "[ . 1 . 2]" 1
1384 1 57 VAL MG2 1 64 ALA H 5.220 . 5.500 4.241 3.840 4.636 . 0 0 "[ . 1 . 2]" 1
1385 1 66 LYS HB3 1 67 ASN HD21 3.970 . 5.500 5.266 4.482 5.502 0.002 3 0 "[ . 1 . 2]" 1
1386 1 66 LYS QG 1 67 ASN HD21 3.900 . 5.500 2.974 2.692 3.566 . 0 0 "[ . 1 . 2]" 1
1387 1 67 ASN HD22 1 76 LEU MD1 5.300 . 5.500 3.355 2.895 3.800 . 0 0 "[ . 1 . 2]" 1
1388 1 63 VAL HA 1 67 ASN HD22 4.570 . 5.500 4.280 4.062 4.644 . 0 0 "[ . 1 . 2]" 1
1389 1 66 LYS QG 1 67 ASN HD22 4.430 . 5.500 2.954 2.759 3.236 . 0 0 "[ . 1 . 2]" 1
1390 1 63 VAL HA 1 67 ASN HD21 4.330 . 5.500 4.037 3.899 4.293 . 0 0 "[ . 1 . 2]" 1
1391 1 63 VAL MG1 1 67 ASN HD21 3.820 . 5.500 2.153 1.944 2.628 . 0 0 "[ . 1 . 2]" 1
1392 1 67 ASN HB2 1 67 ASN HD22 3.690 . 5.500 3.440 3.439 3.442 . 0 0 "[ . 1 . 2]" 1
1393 1 25 PHE HZ 1 67 ASN HD22 3.180 . 3.400 2.890 2.522 3.395 . 0 0 "[ . 1 . 2]" 1
1394 1 25 PHE HE2 1 67 ASN HD21 3.030 . 3.400 2.177 1.973 2.693 . 0 0 "[ . 1 . 2]" 1
1395 1 63 VAL MG1 1 67 ASN H 4.880 . 5.500 3.709 3.523 4.096 . 0 0 "[ . 1 . 2]" 1
1396 1 65 GLN H 1 69 VAL H 3.980 . 5.500 4.671 4.585 4.717 . 0 0 "[ . 1 . 2]" 1
1397 1 69 VAL MG2 1 76 LEU MD1 4.670 . 5.500 2.230 1.961 2.494 . 0 0 "[ . 1 . 2]" 1
1398 1 25 PHE HD2 1 69 VAL MG1 4.280 . 5.500 3.991 3.721 4.120 . 0 0 "[ . 1 . 2]" 1
1399 1 70 SER HB2 1 71 ALA H 4.710 . 5.500 4.311 3.820 4.583 . 0 0 "[ . 1 . 2]" 1
1400 1 29 TRP HZ3 1 72 MET QG 3.770 . 5.500 3.833 3.065 4.976 . 0 0 "[ . 1 . 2]" 1
1401 1 73 PRO QD 1 90 ALA H 3.860 . 5.500 4.647 3.798 5.544 0.044 13 0 "[ . 1 . 2]" 1
1402 1 36 ILE QG 1 73 PRO HB2 3.790 . 5.500 4.864 3.581 5.556 0.056 16 0 "[ . 1 . 2]" 1
1403 1 69 VAL MG2 1 74 THR HB 4.470 . 5.500 3.831 3.538 4.035 . 0 0 "[ . 1 . 2]" 1
1404 1 74 THR MG 1 87 VAL HA 4.390 . 5.500 4.604 4.284 4.932 . 0 0 "[ . 1 . 2]" 1
1405 1 74 THR MG 1 88 VAL HA 4.270 . 5.500 1.912 1.805 2.199 . 0 0 "[ . 1 . 2]" 1
1406 1 25 PHE HB2 1 74 THR MG 4.000 . 5.500 3.447 3.087 3.782 . 0 0 "[ . 1 . 2]" 1
1407 1 74 THR MG 1 88 VAL HB 3.470 . 5.500 2.079 1.795 2.459 0.005 10 0 "[ . 1 . 2]" 1
1408 1 74 THR HA 1 75 LEU HG 3.430 . 5.500 3.676 3.499 4.031 . 0 0 "[ . 1 . 2]" 1
1409 1 22 VAL MG1 1 75 LEU HA 4.710 . 5.500 3.795 3.361 4.318 . 0 0 "[ . 1 . 2]" 1
1410 1 24 ASP HA 1 75 LEU MD1 4.540 . 5.500 5.497 5.154 5.542 0.042 7 0 "[ . 1 . 2]" 1
1411 1 75 LEU HA 1 75 LEU MD1 4.520 . 5.500 3.828 3.777 3.853 . 0 0 "[ . 1 . 2]" 1
1412 1 75 LEU MD1 1 95 ILE HB 3.370 . 3.400 1.928 1.833 2.314 . 0 0 "[ . 1 . 2]" 1
1413 1 75 LEU MD2 1 90 ALA MB 3.230 . 3.400 2.123 1.856 2.712 . 0 0 "[ . 1 . 2]" 1
1414 1 75 LEU MD1 1 90 ALA MB 3.210 . 3.400 1.981 1.863 2.420 . 0 0 "[ . 1 . 2]" 1
1415 1 25 PHE HB3 1 76 LEU MD1 4.800 . 5.500 4.287 3.952 4.597 . 0 0 "[ . 1 . 2]" 1
1416 1 69 VAL MG2 1 76 LEU HB3 4.790 . 5.500 4.889 4.601 5.117 . 0 0 "[ . 1 . 2]" 1
1417 1 69 VAL MG2 1 76 LEU MD2 3.680 . 5.500 2.246 1.897 2.521 . 0 0 "[ . 1 . 2]" 1
1418 1 74 THR HB 1 76 LEU H 4.630 . 5.500 5.506 5.413 5.528 0.028 8 0 "[ . 1 . 2]" 1
1419 1 25 PHE HD1 1 76 LEU H 4.560 . 5.500 3.861 3.626 4.042 . 0 0 "[ . 1 . 2]" 1
1420 1 77 LEU MD2 1 98 ALA HA 4.550 . 5.500 3.408 3.175 3.579 . 0 0 "[ . 1 . 2]" 1
1421 1 77 LEU MD2 1 99 ILE H 4.490 . 5.500 3.893 3.654 4.221 . 0 0 "[ . 1 . 2]" 1
1422 1 77 LEU MD1 1 99 ILE HA 4.410 . 5.500 5.143 4.905 5.390 . 0 0 "[ . 1 . 2]" 1
1423 1 22 VAL MG2 1 77 LEU MD2 3.530 . 5.500 3.143 2.474 3.690 . 0 0 "[ . 1 . 2]" 1
1424 1 11 PHE QD 1 15 ILE MD 5.400 . 5.500 4.362 4.014 4.674 . 0 0 "[ . 1 . 2]" 1
1425 1 15 ILE MG 1 78 PHE HZ 5.400 . 5.500 4.862 4.681 4.993 . 0 0 "[ . 1 . 2]" 1
1426 1 5 PHE HZ 1 15 ILE MG 5.400 . 5.500 5.423 5.263 5.515 0.015 15 0 "[ . 1 . 2]" 1
1427 1 15 ILE MD 1 78 PHE HZ 5.400 . 5.500 5.516 5.503 5.544 0.044 9 0 "[ . 1 . 2]" 1
1428 1 15 ILE MD 1 78 PHE QB 5.040 . 5.500 3.500 3.235 4.233 . 0 0 "[ . 1 . 2]" 1
1429 1 12 ASP HA 1 15 ILE MG 5.040 . 5.500 4.385 3.942 4.765 . 0 0 "[ . 1 . 2]" 1
1430 1 15 ILE MD 1 78 PHE QE 4.810 . 5.500 4.624 4.456 4.764 . 0 0 "[ . 1 . 2]" 1
1431 1 11 PHE QD 1 15 ILE MG 4.810 . 5.500 2.991 2.759 3.145 . 0 0 "[ . 1 . 2]" 1
1432 1 15 ILE MD 1 78 PHE QD 4.630 . 5.500 4.019 3.738 4.466 . 0 0 "[ . 1 . 2]" 1
1433 1 15 ILE MG 1 21 VAL HB 4.630 . 5.500 3.052 2.330 3.384 . 0 0 "[ . 1 . 2]" 1
1434 1 15 ILE MG 1 78 PHE QD 4.380 . 5.500 2.566 2.335 2.873 . 0 0 "[ . 1 . 2]" 1
1435 1 15 ILE MG 1 78 PHE QE 4.280 . 5.500 3.761 3.574 3.882 . 0 0 "[ . 1 . 2]" 1
1436 1 15 ILE HA 1 78 PHE QD 4.020 . 5.500 4.857 4.625 5.043 . 0 0 "[ . 1 . 2]" 1
1437 1 11 PHE QE 1 15 ILE MG 3.950 . 5.500 2.139 1.948 2.468 . 0 0 "[ . 1 . 2]" 1
1438 1 11 PHE QE 1 15 ILE MD 3.860 . 5.500 4.182 3.860 4.547 . 0 0 "[ . 1 . 2]" 1
1439 1 15 ILE MG 1 21 VAL MG2 3.780 . 5.500 3.383 2.877 3.686 . 0 0 "[ . 1 . 2]" 1
1440 1 15 ILE HA 1 15 ILE QG 3.760 . 5.500 3.320 3.315 3.325 . 0 0 "[ . 1 . 2]" 1
1441 1 15 ILE HA 1 15 ILE MG . . 3.400 2.254 2.199 2.353 . 0 0 "[ . 1 . 2]" 1
1442 1 15 ILE MD 1 15 ILE MG 3.520 . 5.500 1.921 1.798 2.035 0.002 2 0 "[ . 1 . 2]" 1
1443 1 23 VAL MG1 1 78 PHE HE2 5.370 . 5.500 3.800 3.437 4.119 . 0 0 "[ . 1 . 2]" 1
1444 1 78 PHE HD1 1 82 LYS HA 4.800 . 5.500 4.815 4.558 5.080 . 0 0 "[ . 1 . 2]" 1
1445 1 77 LEU HA 1 78 PHE HD2 4.630 . 5.500 3.941 3.538 4.243 . 0 0 "[ . 1 . 2]" 1
1446 1 22 VAL HA 1 78 PHE HD2 4.540 . 5.500 4.960 4.315 5.509 0.009 11 0 "[ . 1 . 2]" 1
1447 1 76 LEU HG 1 78 PHE HZ 4.450 . 5.500 4.451 4.387 4.612 . 0 0 "[ . 1 . 2]" 1
1448 1 23 VAL HB 1 78 PHE HD2 4.340 . 5.500 3.832 3.345 4.140 . 0 0 "[ . 1 . 2]" 1
1449 1 78 PHE HZ 1 83 GLU QG 4.330 . 5.500 5.297 4.935 5.586 0.086 7 0 "[ . 1 . 2]" 1
1450 1 76 LEU HA 1 78 PHE HE2 4.320 . 5.500 5.016 4.581 5.282 . 0 0 "[ . 1 . 2]" 1
1451 1 78 PHE HD1 1 83 GLU QB 4.310 . 5.500 3.353 2.982 3.841 . 0 0 "[ . 1 . 2]" 1
1452 1 15 ILE MG 1 78 PHE HE2 4.180 . 5.500 3.923 3.672 4.185 . 0 0 "[ . 1 . 2]" 1
1453 1 78 PHE HA 1 78 PHE HE1 4.260 . 5.500 4.806 4.742 4.894 . 0 0 "[ . 1 . 2]" 1
1454 1 15 ILE MG 1 78 PHE HD2 3.880 . 5.500 2.610 2.348 3.033 . 0 0 "[ . 1 . 2]" 1
1455 1 15 ILE HA 1 78 PHE HD2 4.160 . 5.500 4.996 4.737 5.286 . 0 0 "[ . 1 . 2]" 1
1456 1 78 PHE HD1 1 83 GLU QG 3.870 . 5.500 3.270 2.924 4.169 . 0 0 "[ . 1 . 2]" 1
1457 1 78 PHE HE1 1 83 GLU HA 3.850 . 5.500 3.813 3.632 3.983 . 0 0 "[ . 1 . 2]" 1
1458 1 78 PHE HB2 1 78 PHE HE2 3.820 . 5.500 4.605 4.593 4.641 . 0 0 "[ . 1 . 2]" 1
1459 1 76 LEU MD1 1 78 PHE HE1 3.810 . 5.500 3.825 3.676 3.952 . 0 0 "[ . 1 . 2]" 1
1460 1 76 LEU HB2 1 78 PHE HZ 3.790 . 5.500 3.262 3.136 3.428 . 0 0 "[ . 1 . 2]" 1
1461 1 76 LEU HB2 1 78 PHE HD2 3.760 . 5.500 4.694 4.498 4.917 . 0 0 "[ . 1 . 2]" 1
1462 1 23 VAL MG2 1 78 PHE HE2 3.730 . 5.500 3.067 2.796 3.529 . 0 0 "[ . 1 . 2]" 1
1463 1 78 PHE HE1 1 83 GLU QG 3.680 . 5.500 3.356 3.069 4.058 . 0 0 "[ . 1 . 2]" 1
1464 1 21 VAL HB 1 78 PHE HD2 3.520 . 5.500 3.341 3.166 3.621 . 0 0 "[ . 1 . 2]" 1
1465 1 23 VAL MG2 1 78 PHE HD2 3.470 . 5.500 2.753 2.506 3.013 . 0 0 "[ . 1 . 2]" 1
1466 1 76 LEU HB3 1 78 PHE HE2 3.450 . 5.500 2.863 2.456 3.060 . 0 0 "[ . 1 . 2]" 1
1467 1 23 VAL HB 1 78 PHE HE2 3.370 . 3.400 2.587 2.330 2.795 . 0 0 "[ . 1 . 2]" 1
1468 1 78 PHE HA 1 78 PHE HD1 3.210 . 3.400 2.652 2.540 2.872 . 0 0 "[ . 1 . 2]" 1
1469 1 76 LEU HB2 1 78 PHE HE2 3.070 . 3.400 2.757 2.421 3.060 . 0 0 "[ . 1 . 2]" 1
1470 1 76 LEU HB3 1 78 PHE HD2 3.850 . 5.500 4.504 4.218 4.751 . 0 0 "[ . 1 . 2]" 1
1471 1 25 PHE HE1 1 78 PHE HE2 3.060 . 3.400 2.769 2.453 3.078 . 0 0 "[ . 1 . 2]" 1
1472 1 78 PHE HB3 1 78 PHE HE1 4.280 . 5.500 4.766 4.701 4.794 . 0 0 "[ . 1 . 2]" 1
1473 1 79 LYS HA 1 79 LYS QD 3.710 . 5.500 3.776 1.989 4.164 . 0 0 "[ . 1 . 2]" 1
1474 1 20 LEU MD1 1 79 LYS HA 5.080 . 5.500 3.209 2.854 4.782 . 0 0 "[ . 1 . 2]" 1
1475 1 79 LYS H 1 79 LYS HB3 3.840 . 5.500 3.689 3.595 3.765 . 0 0 "[ . 1 . 2]" 1
1476 1 79 LYS HB2 1 82 LYS H 3.780 . 5.500 4.753 4.527 5.084 . 0 0 "[ . 1 . 2]" 1
1477 1 79 LYS HB2 1 84 VAL MG1 3.640 . 5.500 2.973 1.795 4.240 0.005 1 0 "[ . 1 . 2]" 1
1478 1 20 LEU HA 1 79 LYS QG 3.330 . 3.400 2.655 1.951 3.409 0.009 3 0 "[ . 1 . 2]" 1
1479 1 16 ALA HA 1 80 ASN HA 3.780 . 5.500 4.770 4.497 5.167 . 0 0 "[ . 1 . 2]" 1
1480 1 20 LEU MD1 1 84 VAL MG2 2.940 . 3.400 1.906 1.779 2.745 0.021 15 0 "[ . 1 . 2]" 1
1481 1 80 ASN HA 1 80 ASN QD 4.320 . 5.500 3.425 3.302 3.948 . 0 0 "[ . 1 . 2]" 1
1482 1 17 GLN HE21 1 80 ASN QD 3.640 . 5.500 4.505 2.313 5.523 0.023 8 0 "[ . 1 . 2]" 1
1483 1 19 LYS H 1 80 ASN QD 3.740 . 5.500 4.456 3.897 5.088 . 0 0 "[ . 1 . 2]" 1
1484 1 86 LYS QG 1 87 VAL H 3.820 . 4.900 4.187 3.786 4.912 0.012 14 0 "[ . 1 . 2]" 1
1485 1 87 VAL MG1 1 94 ALA H 4.970 . 5.500 5.187 4.323 5.529 0.029 16 0 "[ . 1 . 2]" 1
1486 1 87 VAL HA 1 87 VAL MG2 3.230 . 3.400 2.384 2.308 2.479 . 0 0 "[ . 1 . 2]" 1
1487 1 88 VAL HA 1 88 VAL MG1 3.400 . 3.400 3.188 3.175 3.194 . 0 0 "[ . 1 . 2]" 1
1488 1 86 LYS HA 1 87 VAL HA 4.360 . 5.500 4.391 4.365 4.417 . 0 0 "[ . 1 . 2]" 1
1489 1 86 LYS QG 1 87 VAL HA 4.180 . 5.500 4.532 3.750 5.679 0.179 5 0 "[ . 1 . 2]" 1
1490 1 73 PRO HB2 1 90 ALA MB 3.860 . 5.500 4.677 4.061 5.235 . 0 0 "[ . 1 . 2]" 1
1491 1 75 LEU HG 1 90 ALA HA 3.350 . 3.400 3.425 3.400 3.445 0.045 19 0 "[ . 1 . 2]" 1
1492 1 91 ASN QD 1 93 ALA MB 4.320 . 5.500 3.781 1.835 5.455 . 0 0 "[ . 1 . 2]" 1
1493 1 91 ASN HB2 1 92 PRO HD2 3.950 . 5.500 3.949 2.671 4.365 . 0 0 "[ . 1 . 2]" 1
1494 1 92 PRO HA 1 94 ALA H 3.880 . 5.500 4.090 3.681 4.324 . 0 0 "[ . 1 . 2]" 1
1495 1 91 ASN HA 1 92 PRO HD3 2.870 . 3.400 2.128 1.992 2.507 . 0 0 "[ . 1 . 2]" 1
1496 1 92 PRO HA 1 92 PRO HB3 2.810 . 3.400 2.322 2.311 2.340 . 0 0 "[ . 1 . 2]" 1
1497 1 95 ILE HA 1 99 ILE MD 4.710 . 5.500 3.681 2.506 4.302 . 0 0 "[ . 1 . 2]" 1
1498 1 43 PHE HE2 1 95 ILE MD 4.400 . 5.500 4.485 4.077 4.914 . 0 0 "[ . 1 . 2]" 1
1499 1 95 ILE HB 1 95 ILE MD 3.380 . 3.400 2.506 2.436 2.544 . 0 0 "[ . 1 . 2]" 1
1500 1 95 ILE MG 1 97 GLN H 5.410 . 5.500 4.603 4.446 4.761 . 0 0 "[ . 1 . 2]" 1
1501 1 93 ALA MB 1 97 GLN QE 4.540 . 5.500 4.564 2.740 5.510 0.010 17 0 "[ . 1 . 2]" 1
1502 1 52 PHE HD2 1 99 ILE MD 4.200 . 5.500 3.935 3.233 5.355 . 0 0 "[ . 1 . 2]" 1
1503 1 47 TYR HE2 1 99 ILE HB 3.960 . 5.500 3.099 2.719 3.493 . 0 0 "[ . 1 . 2]" 1
1504 1 22 VAL MG2 1 99 ILE HA 5.400 . 5.500 3.481 2.925 3.746 . 0 0 "[ . 1 . 2]" 1
1505 1 96 LYS HA 1 99 ILE MD 5.040 . 5.500 3.350 2.847 3.659 . 0 0 "[ . 1 . 2]" 1
1506 1 22 VAL MG1 1 99 ILE MD 5.040 . 5.500 2.390 1.946 2.746 . 0 0 "[ . 1 . 2]" 1
1507 1 22 VAL MG2 1 99 ILE MD 4.810 . 5.500 2.077 1.829 2.727 . 0 0 "[ . 1 . 2]" 1
1508 1 20 LEU MD1 1 99 ILE HA 4.630 . 5.500 4.334 2.376 4.682 . 0 0 "[ . 1 . 2]" 1
1509 1 77 LEU HB3 1 99 ILE HA 4.510 . 5.500 5.327 5.044 5.519 0.019 18 0 "[ . 1 . 2]" 1
1510 1 100 ALA HA 1 103 ALA MB 4.000 . 5.500 3.385 2.459 3.902 . 0 0 "[ . 1 . 2]" 1
1511 1 100 ALA HA 1 102 ASN H 4.580 . 5.500 4.136 4.018 4.233 . 0 0 "[ . 1 . 2]" 1
1512 1 102 ASN HA 1 102 ASN QD 3.860 . 5.500 2.965 1.915 3.858 . 0 0 "[ . 1 . 2]" 1
1513 1 5 PHE HE2 1 15 ILE MG 4.000 . 5.500 4.656 4.494 4.845 . 0 0 "[ . 1 . 2]" 1
1514 1 5 PHE HD2 1 23 VAL MG1 3.320 . 3.400 2.516 2.305 2.720 . 0 0 "[ . 1 . 2]" 1
1515 1 26 TYR HA 1 73 PRO HA 4.130 . 5.500 1.967 1.841 2.213 . 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 34
_Distance_constraint_stats_list.Viol_count 102
_Distance_constraint_stats_list.Viol_total 81.879
_Distance_constraint_stats_list.Viol_max 0.125
_Distance_constraint_stats_list.Viol_rms 0.0203
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0401
_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 3 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 PHE 0.019 0.014 10 0 "[ . 1 . 2]"
1 20 LEU 0.051 0.019 13 0 "[ . 1 . 2]"
1 21 VAL 0.029 0.013 19 0 "[ . 1 . 2]"
1 22 VAL 0.044 0.011 6 0 "[ . 1 . 2]"
1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASP 0.106 0.044 11 0 "[ . 1 . 2]"
1 25 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASP 0.051 0.019 13 0 "[ . 1 . 2]"
1 53 TYR 0.150 0.044 11 0 "[ . 1 . 2]"
1 54 LYS 0.019 0.014 10 0 "[ . 1 . 2]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LEU 0.063 0.023 18 0 "[ . 1 . 2]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.831 0.072 5 0 "[ . 1 . 2]"
1 78 PHE 0.029 0.013 19 0 "[ . 1 . 2]"
1 79 LYS 2.951 0.125 1 0 "[ . 1 . 2]"
1 83 GLU 2.951 0.125 1 0 "[ . 1 . 2]"
1 85 ALA 0.831 0.072 5 0 "[ . 1 . 2]"
1 87 VAL 0.063 0.023 18 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 75 LEU N 1 87 VAL O 2.800 2.400 3.700 3.255 2.782 3.480 . 0 0 "[ . 1 . 2]" 2
2 1 75 LEU H 1 87 VAL O 1.800 . 2.700 2.502 1.940 2.723 0.023 18 0 "[ . 1 . 2]" 2
3 1 75 LEU O 1 87 VAL N 2.800 2.400 3.700 2.959 2.600 3.406 . 0 0 "[ . 1 . 2]" 2
4 1 75 LEU O 1 87 VAL H 1.800 . 2.700 2.058 1.729 2.443 . 0 0 "[ . 1 . 2]" 2
5 1 77 LEU O 1 85 ALA N 2.800 2.400 3.700 3.680 3.624 3.726 0.026 5 0 "[ . 1 . 2]" 2
6 1 77 LEU O 1 85 ALA H 1.800 . 2.700 2.733 2.710 2.772 0.072 5 0 "[ . 1 . 2]" 2
7 1 77 LEU N 1 85 ALA O 2.800 2.400 3.700 3.024 2.710 3.462 . 0 0 "[ . 1 . 2]" 2
8 1 77 LEU H 1 85 ALA O 1.800 . 2.700 2.088 1.796 2.485 . 0 0 "[ . 1 . 2]" 2
9 1 79 LYS N 1 83 GLU O 2.800 2.400 3.700 3.741 3.694 3.773 0.073 8 0 "[ . 1 . 2]" 2
10 1 79 LYS H 1 83 GLU O 1.800 . 2.700 2.806 2.786 2.825 0.125 1 0 "[ . 1 . 2]" 2
11 1 25 PHE N 1 74 THR O 2.800 2.400 3.700 3.071 2.846 3.426 . 0 0 "[ . 1 . 2]" 2
12 1 25 PHE H 1 74 THR O 1.800 . 2.700 2.250 2.009 2.661 . 0 0 "[ . 1 . 2]" 2
13 1 23 VAL O 1 76 LEU N 2.800 2.400 3.700 2.851 2.713 3.049 . 0 0 "[ . 1 . 2]" 2
14 1 23 VAL O 1 76 LEU H 1.800 . 2.700 1.943 1.785 2.182 . 0 0 "[ . 1 . 2]" 2
15 1 23 VAL N 1 76 LEU O 2.800 2.400 3.700 2.985 2.733 3.303 . 0 0 "[ . 1 . 2]" 2
16 1 23 VAL H 1 76 LEU O 1.800 . 2.700 2.107 1.858 2.497 . 0 0 "[ . 1 . 2]" 2
17 1 21 VAL O 1 78 PHE N 2.800 2.400 3.700 3.376 3.022 3.629 . 0 0 "[ . 1 . 2]" 2
18 1 21 VAL O 1 78 PHE H 1.800 . 2.700 2.532 2.167 2.713 0.013 19 0 "[ . 1 . 2]" 2
19 1 21 VAL N 1 78 PHE O 2.800 2.400 3.700 3.166 2.915 3.362 . 0 0 "[ . 1 . 2]" 2
20 1 21 VAL H 1 78 PHE O 1.800 . 2.700 2.217 1.940 2.413 . 0 0 "[ . 1 . 2]" 2
21 1 24 ASP O 1 55 LEU N 2.800 2.400 3.700 2.542 2.490 2.576 . 0 0 "[ . 1 . 2]" 2
22 1 24 ASP O 1 55 LEU H 1.800 . 2.700 1.643 1.575 1.707 . 0 0 "[ . 1 . 2]" 2
23 1 22 VAL O 1 53 TYR N 2.800 2.400 3.700 3.211 2.834 3.422 . 0 0 "[ . 1 . 2]" 2
24 1 22 VAL O 1 53 TYR H 1.800 . 2.700 2.619 2.041 2.711 0.011 6 0 "[ . 1 . 2]" 2
25 1 24 ASP N 1 53 TYR O 2.800 2.400 3.700 3.505 3.352 3.591 . 0 0 "[ . 1 . 2]" 2
26 1 24 ASP H 1 53 TYR O 1.800 . 2.700 2.641 2.477 2.744 0.044 11 0 "[ . 1 . 2]" 2
27 1 20 LEU O 1 51 ASP N 2.800 2.400 3.700 3.166 2.733 3.357 . 0 0 "[ . 1 . 2]" 2
28 1 20 LEU O 1 51 ASP H 1.800 . 2.700 2.493 2.004 2.719 0.019 13 0 "[ . 1 . 2]" 2
29 1 22 VAL N 1 51 ASP O 2.800 2.400 3.700 2.748 2.587 3.071 . 0 0 "[ . 1 . 2]" 2
30 1 22 VAL H 1 51 ASP O 1.800 . 2.700 1.880 1.638 2.265 . 0 0 "[ . 1 . 2]" 2
31 1 5 PHE N 1 54 LYS O 2.800 2.400 3.700 2.695 2.526 3.121 . 0 0 "[ . 1 . 2]" 2
32 1 5 PHE H 1 54 LYS O 1.800 . 2.700 2.329 2.118 2.714 0.014 10 0 "[ . 1 . 2]" 2
33 1 3 THR O 1 54 LYS N 2.800 2.400 3.700 2.618 2.513 2.813 . 0 0 "[ . 1 . 2]" 2
34 1 3 THR O 1 54 LYS H 1.800 . 2.700 2.040 1.825 2.248 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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