NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396593 |
1sjg   |
4992 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1sjg
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 1646
_Distance_constraint_stats_list.Viol_count 2045
_Distance_constraint_stats_list.Viol_total 7934.275
_Distance_constraint_stats_list.Viol_max 9.222
_Distance_constraint_stats_list.Viol_rms 0.1732
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0121
_Distance_constraint_stats_list.Viol_average_violations_only 0.1940
_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 3 PHE 0.337 0.078 6 0 "[ . 1 . 2]"
1 4 GLU 0.040 0.034 14 0 "[ . 1 . 2]"
1 5 LYS 2.414 0.145 15 0 "[ . 1 . 2]"
1 6 ILE 4.501 0.152 11 0 "[ . 1 . 2]"
1 7 CYS 4.177 0.152 11 0 "[ . 1 . 2]"
1 8 SER 5.262 0.182 20 0 "[ . 1 . 2]"
1 9 LEU 3.172 0.187 1 0 "[ . 1 . 2]"
1 10 ASP 1.617 0.126 6 0 "[ . 1 . 2]"
1 11 ASP 0.014 0.014 4 0 "[ . 1 . 2]"
1 12 ILE 5.555 0.146 9 0 "[ . 1 . 2]"
1 13 TRP 3.454 0.183 18 0 "[ . 1 . 2]"
1 14 VAL 0.618 0.257 14 0 "[ . 1 . 2]"
1 15 GLY 0.063 0.059 9 0 "[ . 1 . 2]"
1 16 GLU 2.430 0.183 18 0 "[ . 1 . 2]"
1 17 MET 1.487 0.104 7 0 "[ . 1 . 2]"
1 18 GLU 4.204 0.175 20 0 "[ . 1 . 2]"
1 19 THR 2.342 0.177 16 0 "[ . 1 . 2]"
1 20 PHE 1.834 0.084 18 0 "[ . 1 . 2]"
1 21 GLU 1.159 0.080 8 0 "[ . 1 . 2]"
1 22 THR 2.323 0.105 3 0 "[ . 1 . 2]"
1 23 SER 1.785 0.090 7 0 "[ . 1 . 2]"
1 24 ASP 0.697 0.038 14 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 THR 1.522 0.105 3 0 "[ . 1 . 2]"
1 27 GLU 1.208 0.107 17 0 "[ . 1 . 2]"
1 28 VAL 3.727 0.266 16 0 "[ . 1 . 2]"
1 29 LEU 4.495 0.167 13 0 "[ . 1 . 2]"
1 30 ILE 1.429 0.094 13 0 "[ . 1 . 2]"
1 31 VAL 0.626 0.120 1 0 "[ . 1 . 2]"
1 32 ASN 1.011 0.097 13 0 "[ . 1 . 2]"
1 33 SER 0.186 0.044 13 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 HIS 0.037 0.037 3 0 "[ . 1 . 2]"
1 37 GLY 0.074 0.033 8 0 "[ . 1 . 2]"
1 38 VAL 1.083 0.208 3 0 "[ . 1 . 2]"
1 39 LYS 1.679 0.208 3 0 "[ . 1 . 2]"
1 40 ALA 0.764 0.097 3 0 "[ . 1 . 2]"
1 41 TYR 0.597 0.121 1 0 "[ . 1 . 2]"
1 42 GLN 4.779 0.237 2 0 "[ . 1 . 2]"
1 43 ALA 0.541 0.158 14 0 "[ . 1 . 2]"
1 44 MET 2.936 0.266 16 0 "[ . 1 . 2]"
1 47 HIS 196.271 9.222 14 20 [*******-*****+******]
1 52 LEU 0.911 0.103 15 0 "[ . 1 . 2]"
1 53 SER 4.514 0.177 16 0 "[ . 1 . 2]"
1 54 GLU 0.992 0.175 20 0 "[ . 1 . 2]"
1 55 GLY 1.018 0.217 20 0 "[ . 1 . 2]"
1 56 SER 6.863 0.298 4 0 "[ . 1 . 2]"
1 57 TYR 4.777 0.298 4 0 "[ . 1 . 2]"
1 58 GLU 0.143 0.057 15 0 "[ . 1 . 2]"
1 59 GLY 0.760 0.095 14 0 "[ . 1 . 2]"
1 60 GLY 0.950 0.095 14 0 "[ . 1 . 2]"
1 61 VAL 1.026 0.118 5 0 "[ . 1 . 2]"
1 62 ILE 1.349 0.170 5 0 "[ . 1 . 2]"
1 63 THR 2.177 0.172 14 0 "[ . 1 . 2]"
1 67 HIS 90.169 5.327 7 17 "[ * ***+-***********2]"
1 70 THR 1.494 0.201 18 0 "[ . 1 . 2]"
1 71 PHE 1.006 0.454 5 0 "[ . 1 . 2]"
1 72 ASN 1.263 0.170 5 0 "[ . 1 . 2]"
1 73 ASP 0.625 0.212 17 0 "[ . 1 . 2]"
1 74 GLY 0.136 0.049 5 0 "[ . 1 . 2]"
1 75 THR 0.122 0.102 17 0 "[ . 1 . 2]"
1 76 GLY 0.731 0.212 17 0 "[ . 1 . 2]"
1 77 HIS 1.801 0.219 19 0 "[ . 1 . 2]"
1 78 GLY 2.945 0.454 5 0 "[ . 1 . 2]"
1 79 ILE 0.919 0.138 5 0 "[ . 1 . 2]"
1 80 ASN 2.861 0.201 18 0 "[ . 1 . 2]"
1 81 PRO 289.054 9.222 14 20 [*******-*****+******]
1 82 ASP 1.622 0.259 16 0 "[ . 1 . 2]"
1 83 ASP 1.915 0.124 6 0 "[ . 1 . 2]"
1 84 CYS 4.112 0.329 9 0 "[ . 1 . 2]"
1 85 CYS 8.540 0.329 9 0 "[ . 1 . 2]"
1 86 LEU 4.198 0.296 19 0 "[ . 1 . 2]"
1 87 ALA 1.148 0.199 15 0 "[ . 1 . 2]"
1 88 GLU 0.562 0.181 17 0 "[ . 1 . 2]"
1 89 TYR 0.668 0.111 11 0 "[ . 1 . 2]"
1 90 PRO 0.140 0.036 20 0 "[ . 1 . 2]"
1 91 VAL 0.501 0.057 20 0 "[ . 1 . 2]"
1 92 GLU 4.054 0.243 6 0 "[ . 1 . 2]"
1 93 VAL 3.596 0.187 13 0 "[ . 1 . 2]"
1 94 LYS 4.571 0.252 1 0 "[ . 1 . 2]"
1 95 GLY 3.179 0.184 1 0 "[ . 1 . 2]"
1 96 ASP 4.223 0.184 1 0 "[ . 1 . 2]"
1 97 ASP 7.021 0.210 18 0 "[ . 1 . 2]"
1 98 ILE 5.937 0.177 11 0 "[ . 1 . 2]"
1 99 TYR 3.579 0.243 6 0 "[ . 1 . 2]"
1 100 VAL 3.212 0.133 3 0 "[ . 1 . 2]"
1 101 SER 1.606 0.128 10 0 "[ . 1 . 2]"
1 102 THR 0.569 0.141 16 0 "[ . 1 . 2]"
1 103 LYS 0.603 0.244 10 0 "[ . 1 . 2]"
1 104 GLY 0.294 0.244 10 0 "[ . 1 . 2]"
1 105 ILE 1.052 0.141 16 0 "[ . 1 . 2]"
1 106 LEU 1.735 0.162 9 0 "[ . 1 . 2]"
1 107 PRO 2.876 0.237 2 0 "[ . 1 . 2]"
1 108 ASN 3.985 0.185 5 0 "[ . 1 . 2]"
1 109 LYS 4.392 0.226 11 0 "[ . 1 . 2]"
1 110 ALA 3.568 0.186 1 0 "[ . 1 . 2]"
1 111 HIS 2.255 0.195 10 0 "[ . 1 . 2]"
1 112 SER 0.181 0.078 17 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 20 PHE H 1 20 PHE HB3 . . 3.790 3.721 3.174 3.824 0.034 12 0 "[ . 1 . 2]" 1
2 1 17 MET HA 1 31 VAL HA . . 3.300 2.307 2.128 2.587 . 0 0 "[ . 1 . 2]" 1
3 1 17 MET HA 1 18 GLU H . . 3.020 2.200 2.100 2.311 . 0 0 "[ . 1 . 2]" 1
4 1 21 GLU HA 1 22 THR HA . . 4.850 4.320 4.246 4.384 . 0 0 "[ . 1 . 2]" 1
5 1 20 PHE HB3 1 21 GLU H . . 3.730 2.722 2.388 3.810 0.080 8 0 "[ . 1 . 2]" 1
6 1 37 GLY HA3 1 38 VAL H . . 3.260 2.482 2.174 2.855 . 0 0 "[ . 1 . 2]" 1
7 1 41 TYR HB2 1 42 GLN H . . 3.980 3.219 2.280 3.943 . 0 0 "[ . 1 . 2]" 1
8 1 97 ASP HB2 1 98 ILE H . . 4.040 3.991 3.747 4.134 0.094 2 0 "[ . 1 . 2]" 1
9 1 97 ASP HB3 1 98 ILE H . . 4.040 3.003 2.466 3.997 . 0 0 "[ . 1 . 2]" 1
10 1 41 TYR HA 1 42 GLN H . . 3.270 2.363 2.157 2.495 . 0 0 "[ . 1 . 2]" 1
11 1 85 CYS HA 1 86 LEU H . . 3.020 2.427 2.026 3.316 0.296 19 0 "[ . 1 . 2]" 1
12 1 8 SER HA 1 97 ASP HA . . 3.020 2.315 1.851 2.644 . 0 0 "[ . 1 . 2]" 1
13 1 5 LYS HA 1 99 TYR HA . . 3.080 2.198 1.871 2.670 . 0 0 "[ . 1 . 2]" 1
14 1 13 TRP HB3 1 14 VAL H . . 3.620 2.350 2.205 2.467 . 0 0 "[ . 1 . 2]" 1
15 1 30 ILE HA 1 40 ALA HA . . 3.450 2.451 2.055 2.807 . 0 0 "[ . 1 . 2]" 1
16 1 30 ILE HA 1 41 TYR H . . 3.950 3.709 3.382 3.938 . 0 0 "[ . 1 . 2]" 1
17 1 35 GLU H 1 35 GLU HB3 . . 3.730 2.981 2.259 3.728 . 0 0 "[ . 1 . 2]" 1
18 1 85 CYS H 1 85 CYS HB2 . . 3.760 3.403 2.657 3.855 0.095 12 0 "[ . 1 . 2]" 1
19 1 38 VAL H 1 38 VAL HB . . 3.160 2.743 2.526 3.012 . 0 0 "[ . 1 . 2]" 1
20 1 14 VAL H 1 14 VAL HB . . 3.160 2.660 2.503 3.417 0.257 14 0 "[ . 1 . 2]" 1
21 1 100 VAL HA 1 101 SER H . . 2.900 2.193 2.076 2.390 . 0 0 "[ . 1 . 2]" 1
22 1 5 LYS HB2 1 6 ILE H . . 4.170 4.168 4.034 4.260 0.090 5 0 "[ . 1 . 2]" 1
23 1 5 LYS H 1 5 LYS HB3 . . 3.240 2.495 2.246 2.649 . 0 0 "[ . 1 . 2]" 1
24 1 93 VAL HB 1 94 LYS H . . 4.320 4.228 4.118 4.321 0.001 12 0 "[ . 1 . 2]" 1
25 1 91 VAL HA 1 100 VAL HA . . 3.140 2.182 2.012 2.435 . 0 0 "[ . 1 . 2]" 1
26 1 6 ILE HA 1 6 ILE HB . . 2.960 2.487 2.384 3.006 0.046 19 0 "[ . 1 . 2]" 1
27 1 103 LYS HA 1 103 LYS HB3 . . 3.020 3.022 3.006 3.029 0.009 17 0 "[ . 1 . 2]" 1
28 1 103 LYS H 1 103 LYS HB2 . . 3.080 2.635 2.439 3.031 . 0 0 "[ . 1 . 2]" 1
29 1 102 THR H 1 103 LYS HB2 . . 4.670 4.162 3.598 4.677 0.007 17 0 "[ . 1 . 2]" 1
30 1 107 PRO HB3 1 108 ASN H . . 3.950 3.612 3.187 3.902 . 0 0 "[ . 1 . 2]" 1
31 1 92 GLU H 1 92 GLU HB2 . . 3.860 2.763 2.170 3.131 . 0 0 "[ . 1 . 2]" 1
32 1 92 GLU H 1 92 GLU HB3 . . 3.860 3.156 2.544 3.858 . 0 0 "[ . 1 . 2]" 1
33 1 92 GLU HB3 1 93 VAL H . . 3.950 3.567 2.922 4.036 0.086 1 0 "[ . 1 . 2]" 1
34 1 28 VAL HA 1 43 ALA H . . 3.550 2.508 1.888 3.087 . 0 0 "[ . 1 . 2]" 1
35 1 18 GLU HA 1 53 SER HA . . 3.860 3.650 3.041 3.985 0.125 3 0 "[ . 1 . 2]" 1
36 1 57 TYR HA 1 62 ILE HA . . 3.520 2.647 2.049 3.298 . 0 0 "[ . 1 . 2]" 1
37 1 23 SER HA 1 25 GLY H . . 4.070 3.679 3.442 3.913 . 0 0 "[ . 1 . 2]" 1
38 1 98 ILE HA 1 99 TYR H . . 2.960 2.082 1.998 2.200 . 0 0 "[ . 1 . 2]" 1
39 1 61 VAL H 1 61 VAL HB . . 3.050 2.619 2.475 2.815 . 0 0 "[ . 1 . 2]" 1
40 1 31 VAL H 1 31 VAL HB . . 3.840 2.729 2.550 3.068 . 0 0 "[ . 1 . 2]" 1
41 1 107 PRO HA 1 108 ASN H . . 2.860 2.162 2.035 2.410 . 0 0 "[ . 1 . 2]" 1
42 1 109 LYS HB3 1 110 ALA H . . 3.950 3.248 1.816 4.085 0.135 13 0 "[ . 1 . 2]" 1
43 1 19 THR HA 1 20 PHE H . . 2.770 2.095 2.016 2.202 . 0 0 "[ . 1 . 2]" 1
44 1 32 ASN HA 1 38 VAL HA . . 3.140 2.002 1.867 2.207 . 0 0 "[ . 1 . 2]" 1
45 1 91 VAL H 1 91 VAL HB . . 3.170 2.902 2.511 3.227 0.057 20 0 "[ . 1 . 2]" 1
46 1 100 VAL HB 1 101 SER H . . 3.760 3.493 2.720 3.888 0.128 10 0 "[ . 1 . 2]" 1
47 1 100 VAL H 1 100 VAL HB . . 3.830 3.400 2.753 3.875 0.045 3 0 "[ . 1 . 2]" 1
48 1 57 TYR H 1 57 TYR HB2 . . 3.670 3.072 2.705 3.365 . 0 0 "[ . 1 . 2]" 1
49 1 57 TYR H 1 57 TYR HB3 . . 3.670 2.580 2.265 2.813 . 0 0 "[ . 1 . 2]" 1
50 1 105 ILE H 1 105 ILE HB . . 3.190 2.589 2.437 2.825 . 0 0 "[ . 1 . 2]" 1
51 1 83 ASP HA 1 83 ASP HB2 . . 2.860 2.539 2.390 2.980 0.120 16 0 "[ . 1 . 2]" 1
52 1 83 ASP H 1 83 ASP HB2 . . 3.790 2.868 2.411 3.864 0.074 10 0 "[ . 1 . 2]" 1
53 1 26 THR H 1 26 THR HB . . 3.370 2.527 2.419 2.611 . 0 0 "[ . 1 . 2]" 1
54 1 80 ASN H 1 80 ASN HB2 . . 3.790 3.371 2.967 3.825 0.035 18 0 "[ . 1 . 2]" 1
55 1 93 VAL HA 1 94 LYS QB . . 5.650 4.472 3.967 4.697 . 0 0 "[ . 1 . 2]" 1
56 1 94 LYS H 1 98 ILE HA . . 3.860 3.178 2.703 3.412 . 0 0 "[ . 1 . 2]" 1
57 1 89 TYR H 1 89 TYR HB2 . . 3.830 2.708 2.383 3.856 0.026 11 0 "[ . 1 . 2]" 1
58 1 89 TYR H 1 89 TYR HB3 . . 3.830 3.539 2.732 3.716 . 0 0 "[ . 1 . 2]" 1
59 1 29 LEU H 1 29 LEU HB2 . . 3.730 2.737 2.425 3.689 . 0 0 "[ . 1 . 2]" 1
60 1 18 GLU H 1 31 VAL HA . . 3.890 3.761 3.564 3.903 0.013 19 0 "[ . 1 . 2]" 1
61 1 33 SER H 1 33 SER HB2 . . 3.660 2.695 2.388 3.678 0.018 1 0 "[ . 1 . 2]" 1
62 1 33 SER HB2 1 37 GLY H . . 4.420 2.956 2.334 4.155 . 0 0 "[ . 1 . 2]" 1
63 1 36 HIS H 1 36 HIS HB2 . . 4.200 2.615 2.474 2.771 . 0 0 "[ . 1 . 2]" 1
64 1 36 HIS H 1 36 HIS HB3 . . 4.200 3.104 2.357 3.757 . 0 0 "[ . 1 . 2]" 1
65 1 19 THR HA 1 29 LEU HA . . 3.110 2.120 1.925 2.306 . 0 0 "[ . 1 . 2]" 1
66 1 5 LYS HA 1 6 ILE H . . 2.900 2.008 1.908 2.125 . 0 0 "[ . 1 . 2]" 1
67 1 53 SER HA 1 55 GLY H . . 4.230 3.614 3.283 4.022 . 0 0 "[ . 1 . 2]" 1
68 1 19 THR H 1 53 SER HA . . 4.230 4.270 4.058 4.407 0.177 16 0 "[ . 1 . 2]" 1
69 1 19 THR H 1 19 THR HB . . 3.170 2.562 2.336 2.883 . 0 0 "[ . 1 . 2]" 1
70 1 19 THR HB 1 20 PHE H . . 4.070 4.093 3.997 4.154 0.084 18 0 "[ . 1 . 2]" 1
71 1 9 LEU HA 1 9 LEU HB3 . . 2.960 2.979 2.560 3.018 0.058 11 0 "[ . 1 . 2]" 1
72 1 9 LEU HB3 1 10 ASP H . . 3.830 2.926 2.675 3.835 0.005 1 0 "[ . 1 . 2]" 1
73 1 9 LEU HB2 1 10 ASP H . . 3.830 3.841 3.086 3.956 0.126 6 0 "[ . 1 . 2]" 1
74 1 86 LEU H 1 86 LEU HB2 . . 3.920 3.117 2.445 3.925 0.005 15 0 "[ . 1 . 2]" 1
75 1 5 LYS HA 1 6 ILE HB . . 4.480 4.407 4.263 4.517 0.037 8 0 "[ . 1 . 2]" 1
76 1 6 ILE H 1 6 ILE HB . . 3.450 2.829 2.405 3.066 . 0 0 "[ . 1 . 2]" 1
77 1 28 VAL H 1 28 VAL HB . . 3.270 2.657 2.420 2.756 . 0 0 "[ . 1 . 2]" 1
78 1 28 VAL HB 1 29 LEU H . . 3.830 3.885 3.805 3.925 0.095 14 0 "[ . 1 . 2]" 1
79 1 22 THR HB 1 24 ASP H . . 3.840 2.718 2.528 3.094 . 0 0 "[ . 1 . 2]" 1
80 1 22 THR H 1 22 THR HB . . 4.140 3.635 3.557 3.693 . 0 0 "[ . 1 . 2]" 1
81 1 24 ASP H 1 24 ASP HB2 . . 3.790 2.607 2.429 2.834 . 0 0 "[ . 1 . 2]" 1
82 1 31 VAL H 1 40 ALA HA . . 4.270 3.324 2.965 3.706 . 0 0 "[ . 1 . 2]" 1
83 1 29 LEU H 1 40 ALA HA . . 4.720 4.661 4.470 4.770 0.050 16 0 "[ . 1 . 2]" 1
84 1 42 GLN H 1 42 GLN HB3 . . 3.880 3.097 2.348 3.696 . 0 0 "[ . 1 . 2]" 1
85 1 42 GLN HB3 1 43 ALA H . . 4.380 3.569 2.900 4.267 . 0 0 "[ . 1 . 2]" 1
86 1 8 SER H 1 8 SER HB2 . . 3.860 3.180 2.757 3.770 . 0 0 "[ . 1 . 2]" 1
87 1 8 SER HB2 1 9 LEU H . . 3.730 3.226 2.603 3.792 0.062 19 0 "[ . 1 . 2]" 1
88 1 87 ALA HA 1 88 GLU H . . 2.590 2.168 2.065 2.280 . 0 0 "[ . 1 . 2]" 1
89 1 14 VAL HA 1 16 GLU H . . 4.040 3.277 3.122 3.519 . 0 0 "[ . 1 . 2]" 1
90 1 16 GLU H 1 16 GLU HB2 . . 4.040 2.477 2.257 2.743 . 0 0 "[ . 1 . 2]" 1
91 1 13 TRP H 1 16 GLU HB2 . . 3.610 2.443 2.065 2.984 . 0 0 "[ . 1 . 2]" 1
92 1 17 MET HB3 1 18 GLU H . . 4.010 3.998 3.258 4.103 0.093 13 0 "[ . 1 . 2]" 1
93 1 17 MET HB2 1 18 GLU H . . 4.010 3.007 2.616 4.044 0.034 7 0 "[ . 1 . 2]" 1
94 1 20 PHE HA 1 21 GLU H . . 2.680 2.317 2.219 2.412 . 0 0 "[ . 1 . 2]" 1
95 1 21 GLU HB3 1 22 THR H . . 4.070 3.976 3.817 4.095 0.025 11 0 "[ . 1 . 2]" 1
96 1 24 ASP HA 1 24 ASP HB3 . . 2.990 2.830 2.438 3.023 0.033 12 0 "[ . 1 . 2]" 1
97 1 101 SER HA 1 102 THR H . . 2.830 2.123 2.029 2.243 . 0 0 "[ . 1 . 2]" 1
98 1 108 ASN H 1 108 ASN HB3 . . 3.420 3.004 2.298 3.578 0.158 7 0 "[ . 1 . 2]" 1
99 1 108 ASN H 1 108 ASN HB2 . . 3.420 2.626 2.269 3.605 0.185 5 0 "[ . 1 . 2]" 1
100 1 23 SER HB3 1 24 ASP H . . 4.130 4.105 3.883 4.168 0.038 14 0 "[ . 1 . 2]" 1
101 1 23 SER HB2 1 24 ASP H . . 4.130 3.161 2.774 3.830 . 0 0 "[ . 1 . 2]" 1
102 1 103 LYS HA 1 103 LYS HB2 . . 3.020 2.485 2.435 2.521 . 0 0 "[ . 1 . 2]" 1
103 1 109 LYS H 1 109 LYS HB3 . . 3.580 3.393 2.481 3.806 0.226 11 0 "[ . 1 . 2]" 1
104 1 108 ASN HA 1 109 LYS H . . 2.650 2.331 1.850 2.673 0.023 19 0 "[ . 1 . 2]" 1
105 1 3 PHE HA 1 101 SER HA . . 3.450 2.524 1.931 3.335 . 0 0 "[ . 1 . 2]" 1
106 1 80 ASN HA 1 81 PRO HB3 . . 4.380 4.138 3.892 4.409 0.029 16 0 "[ . 1 . 2]" 1
107 1 39 LYS HA 1 40 ALA H . . 3.140 2.209 2.059 2.378 . 0 0 "[ . 1 . 2]" 1
108 1 9 LEU HA 1 11 ASP H . . 4.170 3.669 3.490 3.915 . 0 0 "[ . 1 . 2]" 1
109 1 83 ASP HB3 1 84 CYS H . . 4.570 3.568 2.289 4.437 . 0 0 "[ . 1 . 2]" 1
110 1 70 THR HB 1 71 PHE H . . 3.730 3.003 2.370 3.486 . 0 0 "[ . 1 . 2]" 1
111 1 79 ILE H 1 79 ILE HB . . 3.760 2.510 2.235 2.608 . 0 0 "[ . 1 . 2]" 1
112 1 82 ASP HA 1 84 CYS H . . 4.540 3.748 3.235 4.286 . 0 0 "[ . 1 . 2]" 1
113 1 8 SER HB2 1 11 ASP H . . 4.910 3.268 2.333 4.583 . 0 0 "[ . 1 . 2]" 1
114 1 9 LEU H 1 9 LEU HB2 . . 3.270 2.330 2.178 2.457 . 0 0 "[ . 1 . 2]" 1
115 1 9 LEU H 1 9 LEU HB3 . . 3.270 2.616 2.420 3.457 0.187 1 0 "[ . 1 . 2]" 1
116 1 75 THR H 1 75 THR HB . . 3.830 2.765 2.412 3.674 . 0 0 "[ . 1 . 2]" 1
117 1 33 SER HB3 1 37 GLY H . . 4.420 3.482 1.982 4.453 0.033 8 0 "[ . 1 . 2]" 1
118 1 33 SER HB2 1 36 HIS H . . 4.160 2.913 2.469 4.197 0.037 3 0 "[ . 1 . 2]" 1
119 1 33 SER HB3 1 36 HIS H . . 4.160 2.718 2.056 4.094 . 0 0 "[ . 1 . 2]" 1
120 1 8 SER HA 1 10 ASP H . . 4.450 3.878 3.596 4.136 . 0 0 "[ . 1 . 2]" 1
121 1 8 SER HB2 1 10 ASP H . . 4.010 2.703 2.125 3.903 . 0 0 "[ . 1 . 2]" 1
122 1 38 VAL HA 1 39 LYS H . . 3.020 2.092 2.026 2.154 . 0 0 "[ . 1 . 2]" 1
123 1 7 CYS HB3 1 8 SER H . . 3.210 2.646 1.813 3.334 0.124 20 0 "[ . 1 . 2]" 1
124 1 16 GLU H 1 16 GLU HB3 . . 4.040 3.430 2.550 3.729 . 0 0 "[ . 1 . 2]" 1
125 1 13 TRP HA 1 14 VAL H . . 2.860 2.414 2.291 2.583 . 0 0 "[ . 1 . 2]" 1
126 1 22 THR HA 1 22 THR HB . . 2.990 2.446 2.413 2.476 . 0 0 "[ . 1 . 2]" 1
127 1 23 SER H 1 23 SER HB2 . . 3.580 2.485 2.356 3.477 . 0 0 "[ . 1 . 2]" 1
128 1 23 SER H 1 23 SER HB3 . . 3.580 3.477 2.551 3.572 . 0 0 "[ . 1 . 2]" 1
129 1 24 ASP HA 1 24 ASP HB2 . . 2.990 2.670 2.396 3.018 0.028 15 0 "[ . 1 . 2]" 1
130 1 27 GLU H 1 27 GLU HB3 . . 3.920 3.418 2.405 3.671 . 0 0 "[ . 1 . 2]" 1
131 1 27 GLU H 1 27 GLU HB2 . . 3.920 2.661 2.382 3.674 . 0 0 "[ . 1 . 2]" 1
132 1 22 THR H 1 27 GLU HA . . 3.730 3.594 3.258 3.812 0.082 2 0 "[ . 1 . 2]" 1
133 1 27 GLU HB3 1 28 VAL H . . 4.240 3.477 3.154 4.153 . 0 0 "[ . 1 . 2]" 1
134 1 27 GLU HA 1 28 VAL H . . 2.900 2.114 2.006 2.211 . 0 0 "[ . 1 . 2]" 1
135 1 33 SER HA 1 34 GLU H . . 3.140 2.267 2.163 2.414 . 0 0 "[ . 1 . 2]" 1
136 1 42 GLN HA 1 43 ALA H . . 2.960 2.214 2.026 2.332 . 0 0 "[ . 1 . 2]" 1
137 1 52 LEU H 1 52 LEU HB2 . . 4.200 3.053 2.238 3.718 . 0 0 "[ . 1 . 2]" 1
138 1 56 SER H 1 56 SER HB2 . . 3.790 3.033 2.484 3.898 0.108 12 0 "[ . 1 . 2]" 1
139 1 56 SER HB2 1 57 TYR H . . 3.480 3.000 1.813 3.778 0.298 4 0 "[ . 1 . 2]" 1
140 1 57 TYR HA 1 63 THR H . . 4.200 3.565 3.033 4.209 0.009 7 0 "[ . 1 . 2]" 1
141 1 77 HIS HA 1 85 CYS HA . . 3.210 2.395 1.771 3.429 0.219 19 0 "[ . 1 . 2]" 1
142 1 78 GLY HA2 1 79 ILE H . . 3.450 2.322 2.121 3.019 . 0 0 "[ . 1 . 2]" 1
143 1 92 GLU H 1 100 VAL HA . . 3.760 3.269 2.917 3.480 . 0 0 "[ . 1 . 2]" 1
144 1 109 LYS HA 1 110 ALA H . . 3.210 2.618 1.746 3.392 0.182 14 0 "[ . 1 . 2]" 1
145 1 80 ASN HA 1 81 PRO HA . . 2.860 1.921 1.793 2.438 . 0 0 "[ . 1 . 2]" 1
146 1 93 VAL HA 1 98 ILE HA . . 3.390 2.552 2.202 3.124 . 0 0 "[ . 1 . 2]" 1
147 1 93 VAL HA 1 99 TYR H . . 3.640 3.544 3.266 3.752 0.112 20 0 "[ . 1 . 2]" 1
148 1 5 LYS HA 1 7 CYS H . . 3.830 3.793 3.536 3.917 0.087 18 0 "[ . 1 . 2]" 1
149 1 6 ILE HB 1 7 CYS H . . 3.700 3.660 2.247 3.852 0.152 11 0 "[ . 1 . 2]" 1
150 1 9 LEU HA 1 9 LEU HB2 . . 2.960 2.567 2.478 2.984 0.024 1 0 "[ . 1 . 2]" 1
151 1 10 ASP H 1 10 ASP HB2 . . 3.550 2.755 2.454 3.639 0.089 6 0 "[ . 1 . 2]" 1
152 1 82 ASP H 1 82 ASP HB3 . . 3.830 2.907 2.355 3.780 . 0 0 "[ . 1 . 2]" 1
153 1 8 SER H 1 11 ASP QB . . 4.980 2.787 2.288 4.029 . 0 0 "[ . 1 . 2]" 1
154 1 14 VAL HB 1 15 GLY H . . 4.570 4.147 3.126 4.387 . 0 0 "[ . 1 . 2]" 1
155 1 21 GLU H 1 21 GLU HB2 . . 3.610 2.950 2.727 3.688 0.078 12 0 "[ . 1 . 2]" 1
156 1 21 GLU HB2 1 22 THR H . . 4.070 3.957 2.714 4.117 0.047 10 0 "[ . 1 . 2]" 1
157 1 23 SER HA 1 23 SER HB2 . . 2.900 2.961 2.521 2.990 0.090 7 0 "[ . 1 . 2]" 1
158 1 23 SER HA 1 23 SER HB3 . . 2.900 2.432 2.389 2.502 . 0 0 "[ . 1 . 2]" 1
159 1 28 VAL HA 1 42 GLN HA . . 3.890 2.607 2.026 3.540 . 0 0 "[ . 1 . 2]" 1
160 1 30 ILE H 1 30 ILE HB . . 3.270 2.586 2.446 2.867 . 0 0 "[ . 1 . 2]" 1
161 1 32 ASN HA 1 38 VAL H . . 4.350 4.332 4.182 4.404 0.054 8 0 "[ . 1 . 2]" 1
162 1 32 ASN HA 1 39 LYS H . . 4.070 3.348 2.910 3.693 . 0 0 "[ . 1 . 2]" 1
163 1 35 GLU H 1 35 GLU HB2 . . 3.730 2.632 2.400 2.964 . 0 0 "[ . 1 . 2]" 1
164 1 39 LYS HB2 1 40 ALA H . . 3.980 3.959 3.674 4.077 0.097 3 0 "[ . 1 . 2]" 1
165 1 29 LEU H 1 43 ALA HA . . 3.830 3.507 2.497 3.988 0.158 14 0 "[ . 1 . 2]" 1
166 1 57 TYR HB2 1 58 GLU H . . 4.490 4.303 4.122 4.448 . 0 0 "[ . 1 . 2]" 1
167 1 62 ILE HB 1 63 THR H . . 4.100 3.990 2.906 4.184 0.084 15 0 "[ . 1 . 2]" 1
168 1 73 ASP H 1 73 ASP HB2 . . 3.840 2.979 2.491 3.934 0.094 17 0 "[ . 1 . 2]" 1
169 1 72 ASN HA 1 73 ASP H . . 2.990 2.100 2.017 2.179 . 0 0 "[ . 1 . 2]" 1
170 1 76 GLY HA2 1 86 LEU H . . 4.320 3.753 2.832 4.189 . 0 0 "[ . 1 . 2]" 1
171 1 76 GLY HA3 1 86 LEU H . . 4.320 4.092 3.428 4.404 0.084 17 0 "[ . 1 . 2]" 1
172 1 78 GLY HA3 1 79 ILE H . . 3.450 3.021 2.629 3.508 0.058 5 0 "[ . 1 . 2]" 1
173 1 80 ASN HA 1 81 PRO HB2 . . 4.380 4.391 4.301 4.444 0.064 15 0 "[ . 1 . 2]" 1
174 1 80 ASN HB3 1 81 PRO HA . . 4.230 4.189 2.926 4.356 0.126 19 0 "[ . 1 . 2]" 1
175 1 80 ASN HB2 1 81 PRO HA . . 4.230 4.013 3.078 4.271 0.041 7 0 "[ . 1 . 2]" 1
176 1 81 PRO HB3 1 82 ASP H . . 3.670 3.317 2.741 3.929 0.259 16 0 "[ . 1 . 2]" 1
177 1 81 PRO HB2 1 82 ASP H . . 3.670 2.865 1.938 3.708 0.038 17 0 "[ . 1 . 2]" 1
178 1 78 GLY H 1 82 ASP HA . . 4.450 3.959 2.893 4.555 0.105 8 0 "[ . 1 . 2]" 1
179 1 83 ASP HA 1 83 ASP HB3 . . 2.860 2.730 2.407 2.979 0.119 9 0 "[ . 1 . 2]" 1
180 1 83 ASP HB2 1 84 CYS H . . 4.570 3.972 2.701 4.389 . 0 0 "[ . 1 . 2]" 1
181 1 84 CYS HA 1 85 CYS H . . 2.900 2.216 1.931 2.961 0.061 4 0 "[ . 1 . 2]" 1
182 1 84 CYS HB3 1 85 CYS H . . 3.580 2.974 2.317 3.909 0.329 9 0 "[ . 1 . 2]" 1
183 1 84 CYS HB2 1 85 CYS H . . 3.580 3.335 2.038 3.858 0.278 4 0 "[ . 1 . 2]" 1
184 1 86 LEU HB3 1 87 ALA H . . 4.350 3.193 2.056 4.446 0.096 15 0 "[ . 1 . 2]" 1
185 1 88 GLU HA 1 89 TYR H . . 2.990 2.138 2.029 2.318 . 0 0 "[ . 1 . 2]" 1
186 1 41 TYR HA 1 88 GLU HA . . 3.420 2.792 2.075 3.369 . 0 0 "[ . 1 . 2]" 1
187 1 91 VAL HA 1 101 SER H . . 4.420 3.465 3.191 3.716 . 0 0 "[ . 1 . 2]" 1
188 1 92 GLU HA 1 93 VAL H . . 2.650 2.079 1.971 2.161 . 0 0 "[ . 1 . 2]" 1
189 1 94 LYS HA 1 95 GLY H . . 3.140 2.201 2.060 2.324 . 0 0 "[ . 1 . 2]" 1
190 1 95 GLY HA3 1 96 ASP H . . 3.210 2.394 2.026 3.384 0.174 2 0 "[ . 1 . 2]" 1
191 1 98 ILE H 1 98 ILE HB . . 3.140 2.583 2.487 2.711 . 0 0 "[ . 1 . 2]" 1
192 1 99 TYR H 1 99 TYR HB3 . . 3.760 3.612 3.051 3.784 0.024 20 0 "[ . 1 . 2]" 1
193 1 99 TYR HB2 1 100 VAL H . . 3.890 3.829 2.577 4.023 0.133 3 0 "[ . 1 . 2]" 1
194 1 102 THR HA 1 105 ILE HB . . 3.950 3.402 2.063 4.091 0.141 16 0 "[ . 1 . 2]" 1
195 1 106 LEU H 1 106 LEU HB3 . . 3.330 3.002 2.383 3.492 0.162 9 0 "[ . 1 . 2]" 1
196 1 106 LEU H 1 106 LEU HB2 . . 3.330 2.515 2.225 3.473 0.143 11 0 "[ . 1 . 2]" 1
197 1 13 TRP HB2 1 14 VAL H . . 3.620 3.578 3.446 3.637 0.017 1 0 "[ . 1 . 2]" 1
198 1 17 MET HA 1 32 ASN H . . 4.070 3.283 2.946 3.531 . 0 0 "[ . 1 . 2]" 1
199 1 85 CYS H 1 85 CYS HB3 . . 3.760 3.482 2.740 3.855 0.095 20 0 "[ . 1 . 2]" 1
200 1 85 CYS HB3 1 86 LEU H . . 3.330 3.008 1.797 3.536 0.206 3 0 "[ . 1 . 2]" 1
201 1 44 MET H 1 44 MET HB2 . . 4.170 2.989 2.439 4.182 0.012 18 0 "[ . 1 . 2]" 1
202 1 44 MET H 1 44 MET HB3 . . 4.170 3.424 2.458 4.112 . 0 0 "[ . 1 . 2]" 1
203 1 62 ILE H 1 72 ASN HA . . 4.510 3.780 2.650 4.680 0.170 5 0 "[ . 1 . 2]" 1
204 1 63 THR HA 1 70 THR HA . . 5.220 3.888 2.466 5.365 0.145 14 0 "[ . 1 . 2]" 1
205 1 71 PHE HA 1 78 GLY HA2 . . 3.920 2.607 1.920 4.374 0.454 5 0 "[ . 1 . 2]" 1
206 1 71 PHE HA 1 78 GLY HA3 . . 3.920 3.452 2.656 3.951 0.031 9 0 "[ . 1 . 2]" 1
207 1 72 ASN H 1 72 ASN HB2 . . 3.480 2.949 2.584 3.181 . 0 0 "[ . 1 . 2]" 1
208 1 72 ASN H 1 72 ASN HB3 . . 3.480 2.617 2.462 2.759 . 0 0 "[ . 1 . 2]" 1
209 1 71 PHE HA 1 72 ASN H . . 3.140 2.337 2.125 2.491 . 0 0 "[ . 1 . 2]" 1
210 1 21 GLU HA 1 27 GLU HA . . 3.140 2.262 1.899 2.652 . 0 0 "[ . 1 . 2]" 1
211 1 21 GLU HA 1 28 VAL H . . 3.580 3.222 2.752 3.600 0.020 11 0 "[ . 1 . 2]" 1
212 1 72 ASN HA 1 74 GLY H . . 4.260 3.847 3.455 4.309 0.049 5 0 "[ . 1 . 2]" 1
213 1 97 ASP HA 1 98 ILE HB . . 4.290 4.322 4.277 4.361 0.071 7 0 "[ . 1 . 2]" 1
214 1 22 THR H 1 26 THR HB . . 3.640 3.425 3.166 3.710 0.070 3 0 "[ . 1 . 2]" 1
215 1 41 TYR HB3 1 86 LEU HB2 . . 5.500 3.493 2.337 5.621 0.121 1 0 "[ . 1 . 2]" 1
216 1 5 LYS QG 1 97 ASP HB2 . . 6.390 4.982 3.930 6.457 0.067 3 0 "[ . 1 . 2]" 1
217 1 5 LYS QG 1 99 TYR QD . . 8.540 4.086 3.311 5.228 . 0 0 "[ . 1 . 2]" 1
218 1 5 LYS QG 1 97 ASP HA . . 6.390 4.255 3.383 6.066 . 0 0 "[ . 1 . 2]" 1
219 1 6 ILE HB 1 20 PHE HB2 . . 5.500 5.125 4.803 5.524 0.024 7 0 "[ . 1 . 2]" 1
220 1 29 LEU HB2 1 41 TYR HB3 . . 7.270 6.405 5.221 7.321 0.051 17 0 "[ . 1 . 2]" 1
221 1 29 LEU HB3 1 41 TYR HB3 . . 7.270 5.102 4.111 5.884 . 0 0 "[ . 1 . 2]" 1
222 1 41 TYR HB3 1 86 LEU HB3 . . 5.500 3.590 1.969 5.391 . 0 0 "[ . 1 . 2]" 1
223 1 5 LYS QD 1 97 ASP HB2 . . 6.390 4.704 3.455 6.413 0.023 5 0 "[ . 1 . 2]" 1
224 1 94 LYS QB 1 97 ASP HB3 . . 6.390 4.608 3.260 6.241 . 0 0 "[ . 1 . 2]" 1
225 1 5 LYS QG 1 97 ASP HB3 . . 6.390 3.691 2.446 5.637 . 0 0 "[ . 1 . 2]" 1
226 1 90 PRO QG 1 101 SER H . . 6.400 4.311 3.073 5.249 . 0 0 "[ . 1 . 2]" 1
227 1 41 TYR HA 1 89 TYR QD . . 7.650 3.079 2.118 4.986 . 0 0 "[ . 1 . 2]" 1
228 1 41 TYR HA 1 89 TYR QE . . 7.650 3.694 2.727 6.817 . 0 0 "[ . 1 . 2]" 1
229 1 5 LYS QD 1 97 ASP HB3 . . 6.390 3.502 1.985 5.133 . 0 0 "[ . 1 . 2]" 1
230 1 8 SER HA 1 98 ILE HG13 . . 5.500 3.475 2.612 4.380 . 0 0 "[ . 1 . 2]" 1
231 1 8 SER HA 1 98 ILE HG12 . . 5.500 4.841 2.439 5.519 0.019 4 0 "[ . 1 . 2]" 1
232 1 54 GLU HA 1 54 GLU HG3 . . 4.140 3.236 2.474 3.840 . 0 0 "[ . 1 . 2]" 1
233 1 5 LYS HA 1 99 TYR QD . . 7.650 3.398 2.575 4.801 . 0 0 "[ . 1 . 2]" 1
234 1 77 HIS HD2 1 85 CYS HB3 . . 5.500 3.511 1.939 5.312 . 0 0 "[ . 1 . 2]" 1
235 1 77 HIS HD2 1 85 CYS HB2 . . 5.500 4.587 3.286 5.564 0.064 19 0 "[ . 1 . 2]" 1
236 1 5 LYS HB2 1 99 TYR QD . . 7.650 3.611 2.794 5.253 . 0 0 "[ . 1 . 2]" 1
237 1 5 LYS HB3 1 99 TYR QD . . 7.650 4.825 3.996 6.716 . 0 0 "[ . 1 . 2]" 1
238 1 5 LYS QG 1 6 ILE HA . . 6.390 4.196 3.566 5.255 . 0 0 "[ . 1 . 2]" 1
239 1 17 MET HB2 1 31 VAL HA . . 5.130 2.930 2.355 4.841 . 0 0 "[ . 1 . 2]" 1
240 1 92 GLU HB2 1 99 TYR HB2 . . 5.380 3.533 2.177 5.415 0.035 6 0 "[ . 1 . 2]" 1
241 1 28 VAL HA 1 89 TYR QE . . 7.650 4.541 3.385 5.763 . 0 0 "[ . 1 . 2]" 1
242 1 98 ILE HA 1 99 TYR QD . . 7.650 3.623 2.996 5.102 . 0 0 "[ . 1 . 2]" 1
243 1 31 VAL HB 1 39 LYS HB2 . . 5.470 3.741 2.161 5.173 . 0 0 "[ . 1 . 2]" 1
244 1 31 VAL HB 1 39 LYS H . . 5.500 3.756 2.985 4.991 . 0 0 "[ . 1 . 2]" 1
245 1 90 PRO HD2 1 101 SER HB2 . . 7.290 4.030 2.117 5.596 . 0 0 "[ . 1 . 2]" 1
246 1 39 LYS HA 1 91 VAL HB . . 5.410 4.065 2.787 5.059 . 0 0 "[ . 1 . 2]" 1
247 1 8 SER HB2 1 96 ASP HA . . 5.500 4.958 3.741 5.646 0.146 6 0 "[ . 1 . 2]" 1
248 1 8 SER HB3 1 96 ASP HA . . 5.500 4.767 3.883 5.613 0.113 15 0 "[ . 1 . 2]" 1
249 1 89 TYR HB2 1 90 PRO HD2 . . 6.560 3.943 1.883 4.739 . 0 0 "[ . 1 . 2]" 1
250 1 89 TYR HB3 1 90 PRO HD2 . . 6.560 3.019 2.562 4.764 . 0 0 "[ . 1 . 2]" 1
251 1 94 LYS QB 1 97 ASP HB2 . . 6.390 3.730 1.960 6.420 0.030 4 0 "[ . 1 . 2]" 1
252 1 90 PRO QG 1 101 SER HB2 . . 6.400 3.754 2.498 5.174 . 0 0 "[ . 1 . 2]" 1
253 1 89 TYR HB2 1 90 PRO HD3 . . 6.560 4.320 2.509 4.901 . 0 0 "[ . 1 . 2]" 1
254 1 29 LEU HB2 1 41 TYR H . . 5.500 4.811 4.354 5.216 . 0 0 "[ . 1 . 2]" 1
255 1 29 LEU HB3 1 41 TYR H . . 5.500 3.430 2.980 4.823 . 0 0 "[ . 1 . 2]" 1
256 1 12 ILE HG13 1 32 ASN HB3 . . 5.340 3.071 2.250 3.871 . 0 0 "[ . 1 . 2]" 1
257 1 33 SER HB2 1 36 HIS HB3 . . 7.270 3.329 2.117 5.300 . 0 0 "[ . 1 . 2]" 1
258 1 8 SER HB2 1 97 ASP HA . . 5.500 4.168 2.747 5.187 . 0 0 "[ . 1 . 2]" 1
259 1 19 THR H 1 53 SER HB3 . . 5.500 2.502 1.952 3.250 . 0 0 "[ . 1 . 2]" 1
260 1 8 SER HB3 1 97 ASP HA . . 5.500 3.289 2.091 5.337 . 0 0 "[ . 1 . 2]" 1
261 1 76 GLY HA2 1 86 LEU HB2 . . 7.280 4.475 2.552 6.080 . 0 0 "[ . 1 . 2]" 1
262 1 5 LYS HB2 1 5 LYS HE3 . . 5.500 4.446 3.720 5.510 0.010 5 0 "[ . 1 . 2]" 1
263 1 5 LYS HB3 1 5 LYS HE3 . . 5.500 4.127 2.133 5.503 0.003 18 0 "[ . 1 . 2]" 1
264 1 5 LYS HB3 1 5 LYS HE2 . . 5.500 3.722 1.971 4.768 . 0 0 "[ . 1 . 2]" 1
265 1 42 GLN HB3 1 87 ALA H . . 5.500 4.166 1.675 5.546 0.046 12 0 "[ . 1 . 2]" 1
266 1 5 LYS QG 1 7 CYS HA . . 6.390 3.989 3.092 5.328 . 0 0 "[ . 1 . 2]" 1
267 1 90 PRO HB2 1 101 SER HB2 . . 7.160 3.391 2.275 4.924 . 0 0 "[ . 1 . 2]" 1
268 1 12 ILE HG13 1 32 ASN H . . 5.500 4.130 3.511 4.552 . 0 0 "[ . 1 . 2]" 1
269 1 17 MET H 1 17 MET HG3 . . 4.290 3.324 2.587 4.251 . 0 0 "[ . 1 . 2]" 1
270 1 17 MET H 1 17 MET HG2 . . 4.290 2.843 2.249 4.135 . 0 0 "[ . 1 . 2]" 1
271 1 18 GLU HA 1 53 SER HB2 . . 4.970 1.820 1.669 2.157 . 0 0 "[ . 1 . 2]" 1
272 1 18 GLU HA 1 53 SER HB3 . . 4.970 3.206 2.645 3.546 . 0 0 "[ . 1 . 2]" 1
273 1 91 VAL HB 1 100 VAL HA . . 5.500 4.286 3.244 5.436 . 0 0 "[ . 1 . 2]" 1
274 1 3 PHE HA 1 101 SER HB2 . . 5.500 3.202 2.283 4.964 . 0 0 "[ . 1 . 2]" 1
275 1 8 SER HB3 1 96 ASP HB3 . . 5.500 3.884 2.534 5.158 . 0 0 "[ . 1 . 2]" 1
276 1 42 GLN HE22 1 107 PRO HB3 . . 5.500 3.237 1.970 4.551 . 0 0 "[ . 1 . 2]" 1
277 1 39 LYS HA 1 39 LYS QD . . 4.620 2.855 1.925 4.288 . 0 0 "[ . 1 . 2]" 1
278 1 12 ILE HG13 1 13 TRP H . . 5.500 3.974 3.192 5.260 . 0 0 "[ . 1 . 2]" 1
279 1 8 SER HB3 1 96 ASP HB2 . . 5.500 4.751 3.921 5.637 0.137 13 0 "[ . 1 . 2]" 1
280 1 6 ILE HB 1 20 PHE HB3 . . 5.500 5.381 4.802 5.552 0.052 11 0 "[ . 1 . 2]" 1
281 1 6 ILE HG12 1 20 PHE HB3 . . 5.500 3.681 2.341 5.518 0.018 19 0 "[ . 1 . 2]" 1
282 1 42 GLN HB2 1 107 PRO HB2 . . 6.230 5.315 3.184 6.285 0.055 19 0 "[ . 1 . 2]" 1
283 1 3 PHE HB2 1 99 TYR HB2 . . 6.810 4.622 3.453 5.031 . 0 0 "[ . 1 . 2]" 1
284 1 3 PHE HB3 1 99 TYR HB2 . . 6.810 3.056 2.386 3.441 . 0 0 "[ . 1 . 2]" 1
285 1 92 GLU QG 1 99 TYR HB2 . . 6.390 4.229 3.251 6.219 . 0 0 "[ . 1 . 2]" 1
286 1 30 ILE H 1 30 ILE HG13 . . 5.040 3.724 2.533 4.448 . 0 0 "[ . 1 . 2]" 1
287 1 97 ASP HB3 1 99 TYR QD . . 7.180 3.911 2.566 6.137 . 0 0 "[ . 1 . 2]" 1
288 1 97 ASP HB2 1 99 TYR QD . . 7.180 4.554 3.349 6.686 . 0 0 "[ . 1 . 2]" 1
289 1 5 LYS HB2 1 5 LYS HE2 . . 5.500 4.272 2.972 5.532 0.032 13 0 "[ . 1 . 2]" 1
290 1 8 SER HB2 1 96 ASP HB3 . . 5.500 4.206 3.017 5.561 0.061 9 0 "[ . 1 . 2]" 1
291 1 13 TRP HB2 1 16 GLU HB2 . . 5.500 2.924 2.487 3.258 . 0 0 "[ . 1 . 2]" 1
292 1 13 TRP HB3 1 16 GLU HB2 . . 5.500 4.248 3.974 4.519 . 0 0 "[ . 1 . 2]" 1
293 1 89 TYR QE 1 105 ILE HB . . 6.840 3.566 1.956 5.890 . 0 0 "[ . 1 . 2]" 1
294 1 89 TYR QD 1 105 ILE HB . . 7.650 3.115 1.915 5.592 . 0 0 "[ . 1 . 2]" 1
295 1 62 ILE HB 1 71 PHE QB . . 5.920 2.727 1.779 5.157 . 0 0 "[ . 1 . 2]" 1
296 1 33 SER HB3 1 36 HIS HB3 . . 7.270 3.496 2.016 5.320 . 0 0 "[ . 1 . 2]" 1
297 1 17 MET HG2 1 57 TYR HB2 . . 7.050 4.483 2.440 6.005 . 0 0 "[ . 1 . 2]" 1
298 1 17 MET HG2 1 57 TYR HB3 . . 7.050 4.384 2.759 6.076 . 0 0 "[ . 1 . 2]" 1
299 1 42 GLN HB2 1 107 PRO HA . . 5.410 4.874 3.845 5.509 0.099 17 0 "[ . 1 . 2]" 1
300 1 17 MET HG3 1 53 SER HA . . 5.500 3.748 2.754 5.604 0.104 7 0 "[ . 1 . 2]" 1
301 1 17 MET HG2 1 53 SER HA . . 5.500 4.722 2.261 5.598 0.098 14 0 "[ . 1 . 2]" 1
302 1 4 GLU H 1 4 GLU HG3 . . 5.190 4.052 2.590 4.751 . 0 0 "[ . 1 . 2]" 1
303 1 13 TRP HA 1 13 TRP HD1 . . 4.010 3.661 3.162 3.923 . 0 0 "[ . 1 . 2]" 1
304 1 12 ILE HG13 1 16 GLU HB2 . . 6.070 4.800 4.097 6.159 0.089 3 0 "[ . 1 . 2]" 1
305 1 12 ILE HG13 1 16 GLU HB3 . . 6.070 5.201 3.761 5.716 . 0 0 "[ . 1 . 2]" 1
306 1 17 MET HG3 1 18 GLU H . . 5.500 4.387 3.714 5.131 . 0 0 "[ . 1 . 2]" 1
307 1 27 GLU H 1 27 GLU HG2 . . 4.850 3.472 2.127 4.509 . 0 0 "[ . 1 . 2]" 1
308 1 27 GLU H 1 27 GLU HG3 . . 4.850 3.223 2.321 4.492 . 0 0 "[ . 1 . 2]" 1
309 1 35 GLU H 1 35 GLU HG3 . . 5.280 3.710 2.278 4.671 . 0 0 "[ . 1 . 2]" 1
310 1 42 GLN HG2 1 86 LEU HB3 . . 7.160 4.624 2.371 6.999 . 0 0 "[ . 1 . 2]" 1
311 1 42 GLN HG3 1 86 LEU HA . . 5.500 4.365 2.587 5.614 0.114 12 0 "[ . 1 . 2]" 1
312 1 42 GLN HG2 1 86 LEU HA . . 5.500 3.985 2.333 5.576 0.076 14 0 "[ . 1 . 2]" 1
313 1 42 GLN H 1 42 GLN HG2 . . 5.250 2.862 1.848 4.697 . 0 0 "[ . 1 . 2]" 1
314 1 42 GLN HG2 1 87 ALA H . . 5.500 3.347 1.830 5.517 0.017 11 0 "[ . 1 . 2]" 1
315 1 42 GLN H 1 42 GLN HG3 . . 5.250 3.594 1.949 4.553 . 0 0 "[ . 1 . 2]" 1
316 1 42 GLN HG3 1 87 ALA H . . 5.500 4.051 2.200 5.506 0.006 11 0 "[ . 1 . 2]" 1
317 1 54 GLU HA 1 54 GLU HG2 . . 4.140 2.937 2.506 3.757 . 0 0 "[ . 1 . 2]" 1
318 1 62 ILE H 1 62 ILE HG12 . . 5.500 3.070 2.439 4.111 . 0 0 "[ . 1 . 2]" 1
319 1 57 TYR QD 1 62 ILE HG13 . . 7.650 4.060 1.921 5.468 . 0 0 "[ . 1 . 2]" 1
320 1 57 TYR QD 1 62 ILE HG12 . . 7.650 3.701 1.891 5.952 . 0 0 "[ . 1 . 2]" 1
321 1 62 ILE H 1 62 ILE HG13 . . 5.500 3.465 2.230 4.144 . 0 0 "[ . 1 . 2]" 1
322 1 77 HIS HA 1 85 CYS HB3 . . 3.760 2.353 1.909 3.178 . 0 0 "[ . 1 . 2]" 1
323 1 77 HIS HA 1 77 HIS HD2 . . 5.340 3.281 2.456 4.585 . 0 0 "[ . 1 . 2]" 1
324 1 105 ILE HA 1 105 ILE HG12 . . 4.260 2.847 2.430 3.762 . 0 0 "[ . 1 . 2]" 1
325 1 105 ILE HA 1 105 ILE HG13 . . 4.260 3.087 2.508 3.846 . 0 0 "[ . 1 . 2]" 1
326 1 3 PHE HA 1 101 SER HB3 . . 5.500 4.372 3.924 4.932 . 0 0 "[ . 1 . 2]" 1
327 1 4 GLU HA 1 99 TYR QD . . 7.280 3.195 2.490 5.505 . 0 0 "[ . 1 . 2]" 1
328 1 4 GLU H 1 4 GLU HG2 . . 5.190 3.969 2.161 4.848 . 0 0 "[ . 1 . 2]" 1
329 1 5 LYS QD 1 99 TYR QD . . 8.540 4.722 3.630 6.004 . 0 0 "[ . 1 . 2]" 1
330 1 5 LYS QD 1 6 ILE H . . 6.390 4.070 2.528 4.980 . 0 0 "[ . 1 . 2]" 1
331 1 5 LYS QD 1 98 ILE H . . 6.390 3.821 2.847 4.680 . 0 0 "[ . 1 . 2]" 1
332 1 5 LYS QD 1 7 CYS H . . 6.390 4.138 2.553 5.100 . 0 0 "[ . 1 . 2]" 1
333 1 6 ILE HG12 1 20 PHE HB2 . . 5.500 3.116 2.641 5.458 . 0 0 "[ . 1 . 2]" 1
334 1 6 ILE HG13 1 20 PHE HB3 . . 5.500 3.198 2.745 4.303 . 0 0 "[ . 1 . 2]" 1
335 1 6 ILE HG13 1 20 PHE HB2 . . 5.500 3.134 2.186 3.941 . 0 0 "[ . 1 . 2]" 1
336 1 6 ILE H 1 6 ILE HG13 . . 4.820 4.434 3.904 4.716 . 0 0 "[ . 1 . 2]" 1
337 1 7 CYS HB2 1 20 PHE QD . . 7.650 5.030 3.797 7.636 . 0 0 "[ . 1 . 2]" 1
338 1 7 CYS HB3 1 20 PHE QD . . 7.650 4.670 3.284 6.489 . 0 0 "[ . 1 . 2]" 1
339 1 30 ILE H 1 30 ILE HG12 . . 5.040 3.776 2.449 4.802 . 0 0 "[ . 1 . 2]" 1
340 1 9 LEU HG 1 10 ASP H . . 5.500 4.806 4.176 5.376 . 0 0 "[ . 1 . 2]" 1
341 1 10 ASP HA 1 13 TRP HD1 . . 5.470 5.089 4.556 5.495 0.025 11 0 "[ . 1 . 2]" 1
342 1 12 ILE HG12 1 16 GLU HB2 . . 6.070 5.698 5.231 6.211 0.141 14 0 "[ . 1 . 2]" 1
343 1 12 ILE HG13 1 98 ILE HG13 . . 6.320 5.942 4.404 6.362 0.042 3 0 "[ . 1 . 2]" 1
344 1 12 ILE HG13 1 32 ASN HB2 . . 5.340 2.478 2.174 3.047 . 0 0 "[ . 1 . 2]" 1
345 1 12 ILE HG12 1 98 ILE HG13 . . 6.320 5.771 4.078 6.390 0.070 12 0 "[ . 1 . 2]" 1
346 1 94 LYS HG2 1 99 TYR QD . . 7.650 4.532 2.571 5.888 . 0 0 "[ . 1 . 2]" 1
347 1 13 TRP HB2 1 16 GLU HB3 . . 5.500 3.993 3.570 4.232 . 0 0 "[ . 1 . 2]" 1
348 1 13 TRP HB3 1 16 GLU HB3 . . 5.500 5.492 5.144 5.683 0.183 18 0 "[ . 1 . 2]" 1
349 1 16 GLU HA 1 57 TYR QD . . 7.650 5.944 4.196 6.982 . 0 0 "[ . 1 . 2]" 1
350 1 17 MET HG2 1 18 GLU H . . 5.500 4.783 3.972 5.163 . 0 0 "[ . 1 . 2]" 1
351 1 17 MET HB3 1 31 VAL HA . . 5.130 2.427 2.003 3.645 . 0 0 "[ . 1 . 2]" 1
352 1 29 LEU HA 1 53 SER HB3 . . 4.600 4.171 3.458 4.606 0.006 4 0 "[ . 1 . 2]" 1
353 1 29 LEU HA 1 53 SER HB2 . . 4.600 4.707 4.641 4.767 0.167 13 0 "[ . 1 . 2]" 1
354 1 17 MET HG3 1 53 SER HB2 . . 7.270 4.458 3.254 6.183 . 0 0 "[ . 1 . 2]" 1
355 1 17 MET HG3 1 53 SER HB3 . . 7.270 5.425 4.521 7.303 0.033 7 0 "[ . 1 . 2]" 1
356 1 19 THR HA 1 28 VAL HB . . 5.500 4.992 4.795 5.374 . 0 0 "[ . 1 . 2]" 1
357 1 88 GLU HG2 1 89 TYR H . . 5.310 4.251 2.858 5.328 0.018 20 0 "[ . 1 . 2]" 1
358 1 27 GLU HG3 1 28 VAL H . . 6.000 4.801 3.177 5.493 . 0 0 "[ . 1 . 2]" 1
359 1 29 LEU HB2 1 43 ALA HA . . 4.290 2.647 1.841 4.350 0.060 20 0 "[ . 1 . 2]" 1
360 1 29 LEU H 1 29 LEU HG . . 5.500 4.344 2.199 4.696 . 0 0 "[ . 1 . 2]" 1
361 1 29 LEU HG 1 30 ILE H . . 4.920 3.993 3.219 5.014 0.094 13 0 "[ . 1 . 2]" 1
362 1 20 PHE QD 1 30 ILE HB . . 6.530 2.550 2.127 3.377 . 0 0 "[ . 1 . 2]" 1
363 1 18 GLU H 1 30 ILE HB . . 5.340 3.616 3.211 5.007 . 0 0 "[ . 1 . 2]" 1
364 1 20 PHE QD 1 30 ILE HG12 . . 7.210 3.156 2.113 4.502 . 0 0 "[ . 1 . 2]" 1
365 1 20 PHE QD 1 30 ILE HG13 . . 7.210 3.609 2.134 5.296 . 0 0 "[ . 1 . 2]" 1
366 1 12 ILE HG12 1 32 ASN HB2 . . 5.340 3.446 2.650 4.337 . 0 0 "[ . 1 . 2]" 1
367 1 34 GLU QG 1 35 GLU H . . 6.390 3.475 2.136 4.322 . 0 0 "[ . 1 . 2]" 1
368 1 39 LYS HG3 1 40 ALA H . . 5.500 4.551 1.985 5.233 . 0 0 "[ . 1 . 2]" 1
369 1 39 LYS HG2 1 40 ALA H . . 5.500 4.488 2.619 5.040 . 0 0 "[ . 1 . 2]" 1
370 1 39 LYS H 1 39 LYS HG2 . . 5.500 3.738 3.047 4.894 . 0 0 "[ . 1 . 2]" 1
371 1 38 VAL H 1 39 LYS QD . . 5.990 5.429 3.772 6.198 0.208 3 0 "[ . 1 . 2]" 1
372 1 31 VAL HB 1 39 LYS HB3 . . 5.470 4.684 2.928 5.590 0.120 1 0 "[ . 1 . 2]" 1
373 1 42 GLN HB3 1 107 PRO HB3 . . 6.230 4.271 2.438 5.820 . 0 0 "[ . 1 . 2]" 1
374 1 42 GLN HB3 1 107 PRO HA . . 5.410 4.826 3.067 5.584 0.174 16 0 "[ . 1 . 2]" 1
375 1 42 GLN HB2 1 111 HIS H . . 5.500 5.091 3.917 5.695 0.195 10 0 "[ . 1 . 2]" 1
376 1 42 GLN HB3 1 111 HIS H . . 5.500 5.079 2.835 5.681 0.181 13 0 "[ . 1 . 2]" 1
377 1 29 LEU HB3 1 43 ALA HA . . 4.290 3.471 2.725 4.312 0.022 14 0 "[ . 1 . 2]" 1
378 1 52 LEU H 1 52 LEU HG . . 5.250 3.843 3.307 4.534 . 0 0 "[ . 1 . 2]" 1
379 1 56 SER HB3 1 63 THR HB . . 5.130 3.629 1.975 5.182 0.052 7 0 "[ . 1 . 2]" 1
380 1 72 ASN HB3 1 79 ILE HG12 . . 7.280 4.749 3.028 7.334 0.054 7 0 "[ . 1 . 2]" 1
381 1 57 TYR QE 1 73 ASP HB3 . . 7.650 4.817 2.822 7.387 . 0 0 "[ . 1 . 2]" 1
382 1 57 TYR QE 1 73 ASP HB2 . . 7.650 4.605 2.585 7.493 . 0 0 "[ . 1 . 2]" 1
383 1 76 GLY HA3 1 86 LEU HB2 . . 7.280 5.417 3.410 7.392 0.112 15 0 "[ . 1 . 2]" 1
384 1 76 GLY HA2 1 86 LEU HB3 . . 7.280 5.096 2.157 6.261 . 0 0 "[ . 1 . 2]" 1
385 1 75 THR HB 1 77 HIS QB . . 6.390 3.794 2.491 5.807 . 0 0 "[ . 1 . 2]" 1
386 1 9 LEU H 1 9 LEU HG . . 4.570 4.414 2.628 4.563 . 0 0 "[ . 1 . 2]" 1
387 1 77 HIS HA 1 85 CYS HB2 . . 3.760 3.286 1.998 3.855 0.095 4 0 "[ . 1 . 2]" 1
388 1 41 TYR HB2 1 86 LEU HB3 . . 5.500 3.799 1.886 5.534 0.034 15 0 "[ . 1 . 2]" 1
389 1 42 GLN HG3 1 86 LEU HB3 . . 7.160 5.053 3.162 7.022 . 0 0 "[ . 1 . 2]" 1
390 1 42 GLN HG3 1 86 LEU HB2 . . 7.160 5.669 3.138 7.242 0.082 2 0 "[ . 1 . 2]" 1
391 1 41 TYR HB2 1 86 LEU HB2 . . 5.500 3.761 1.864 5.582 0.082 7 0 "[ . 1 . 2]" 1
392 1 88 GLU HG3 1 89 TYR H . . 5.310 4.314 2.928 5.324 0.014 17 0 "[ . 1 . 2]" 1
393 1 90 PRO HB3 1 101 SER HB2 . . 7.160 4.972 3.930 6.294 . 0 0 "[ . 1 . 2]" 1
394 1 89 TYR HA 1 90 PRO HD2 . . 3.390 2.755 2.253 3.366 . 0 0 "[ . 1 . 2]" 1
395 1 89 TYR HA 1 90 PRO HD3 . . 3.390 2.056 1.877 2.592 . 0 0 "[ . 1 . 2]" 1
396 1 92 GLU QG 1 93 VAL HA . . 6.390 4.935 3.956 6.029 . 0 0 "[ . 1 . 2]" 1
397 1 92 GLU HB2 1 99 TYR HB3 . . 5.380 4.630 3.676 5.623 0.243 6 0 "[ . 1 . 2]" 1
398 1 94 LYS HA 1 99 TYR QD . . 7.650 6.429 5.381 7.671 0.021 2 0 "[ . 1 . 2]" 1
399 1 94 LYS QB 1 99 TYR QD . . 7.980 4.529 3.049 6.106 . 0 0 "[ . 1 . 2]" 1
400 1 94 LYS HG3 1 99 TYR QD . . 7.650 4.628 1.903 5.779 . 0 0 "[ . 1 . 2]" 1
401 1 94 LYS HA 1 94 LYS HD2 . . 4.790 3.878 2.349 4.850 0.060 17 0 "[ . 1 . 2]" 1
402 1 94 LYS HD3 1 99 TYR QD . . 7.650 3.000 2.031 5.099 . 0 0 "[ . 1 . 2]" 1
403 1 94 LYS H 1 94 LYS HD3 . . 5.500 2.714 1.712 4.323 . 0 0 "[ . 1 . 2]" 1
404 1 94 LYS HD2 1 99 TYR QD . . 7.650 3.310 1.900 4.380 . 0 0 "[ . 1 . 2]" 1
405 1 94 LYS H 1 94 LYS HD2 . . 5.500 2.700 1.643 4.558 . 0 0 "[ . 1 . 2]" 1
406 1 94 LYS HA 1 94 LYS HD3 . . 4.790 4.198 3.567 5.042 0.252 1 0 "[ . 1 . 2]" 1
407 1 94 LYS H 1 94 LYS HG3 . . 5.500 3.973 3.217 4.865 . 0 0 "[ . 1 . 2]" 1
408 1 94 LYS H 1 94 LYS HG2 . . 5.500 3.772 2.408 4.400 . 0 0 "[ . 1 . 2]" 1
409 1 12 ILE HG12 1 32 ASN HB3 . . 5.340 4.352 3.372 5.355 0.015 20 0 "[ . 1 . 2]" 1
410 1 12 ILE HG12 1 13 TRP H . . 5.500 4.846 4.348 5.161 . 0 0 "[ . 1 . 2]" 1
411 1 94 LYS HD3 1 98 ILE HG12 . . 6.780 5.592 4.752 6.637 . 0 0 "[ . 1 . 2]" 1
412 1 94 LYS HD2 1 98 ILE HG12 . . 6.780 5.671 4.958 6.622 . 0 0 "[ . 1 . 2]" 1
413 1 94 LYS HE3 1 98 ILE HG12 . . 7.280 6.625 5.828 7.326 0.046 18 0 "[ . 1 . 2]" 1
414 1 94 LYS HE3 1 99 TYR QD . . 7.650 3.261 1.985 7.039 . 0 0 "[ . 1 . 2]" 1
415 1 94 LYS HE2 1 98 ILE HG12 . . 7.280 6.659 5.549 7.325 0.045 18 0 "[ . 1 . 2]" 1
416 1 94 LYS HE2 1 99 TYR QD . . 7.650 3.334 1.852 6.546 . 0 0 "[ . 1 . 2]" 1
417 1 8 SER HB2 1 96 ASP HB2 . . 5.500 5.229 4.227 5.682 0.182 20 0 "[ . 1 . 2]" 1
418 1 6 ILE H 1 98 ILE HB . . 5.500 4.349 3.939 4.706 . 0 0 "[ . 1 . 2]" 1
419 1 98 ILE H 1 98 ILE HG12 . . 5.070 4.035 3.096 4.411 . 0 0 "[ . 1 . 2]" 1
420 1 98 ILE HG12 1 99 TYR H . . 5.500 4.253 3.531 5.381 . 0 0 "[ . 1 . 2]" 1
421 1 98 ILE H 1 98 ILE HG13 . . 5.070 3.199 2.891 4.289 . 0 0 "[ . 1 . 2]" 1
422 1 98 ILE HG13 1 99 TYR H . . 5.500 4.895 4.383 5.229 . 0 0 "[ . 1 . 2]" 1
423 1 5 LYS HB3 1 99 TYR HA . . 5.500 5.122 4.717 5.519 0.019 3 0 "[ . 1 . 2]" 1
424 1 5 LYS HB2 1 99 TYR HA . . 5.500 4.198 3.700 4.813 . 0 0 "[ . 1 . 2]" 1
425 1 92 GLU HB3 1 99 TYR HB2 . . 5.380 3.418 2.140 5.435 0.055 4 0 "[ . 1 . 2]" 1
426 1 92 GLU QG 1 99 TYR HB3 . . 6.390 5.188 3.987 6.057 . 0 0 "[ . 1 . 2]" 1
427 1 92 GLU HB3 1 99 TYR HB3 . . 5.380 4.677 3.309 5.485 0.105 3 0 "[ . 1 . 2]" 1
428 1 90 PRO QG 1 101 SER HB3 . . 6.400 2.818 1.920 4.618 . 0 0 "[ . 1 . 2]" 1
429 1 89 TYR QE 1 102 THR HA . . 7.180 3.417 2.729 4.236 . 0 0 "[ . 1 . 2]" 1
430 1 89 TYR QD 1 102 THR HA . . 6.620 2.666 1.932 4.528 . 0 0 "[ . 1 . 2]" 1
431 1 89 TYR QE 1 102 THR HB . . 7.280 4.364 3.020 5.450 . 0 0 "[ . 1 . 2]" 1
432 1 89 TYR QD 1 102 THR HB . . 7.650 4.552 3.480 6.610 . 0 0 "[ . 1 . 2]" 1
433 1 103 LYS H 1 103 LYS HG3 . . 4.880 4.505 4.386 4.644 . 0 0 "[ . 1 . 2]" 1
434 1 103 LYS H 1 103 LYS HG2 . . 4.880 4.525 4.382 4.795 . 0 0 "[ . 1 . 2]" 1
435 1 103 LYS HG2 1 104 GLY H . . 5.500 4.004 2.573 5.237 . 0 0 "[ . 1 . 2]" 1
436 1 105 ILE HG12 1 106 LEU H . . 5.500 4.611 2.884 5.422 . 0 0 "[ . 1 . 2]" 1
437 1 105 ILE HG13 1 106 LEU H . . 5.500 4.907 2.769 5.514 0.014 6 0 "[ . 1 . 2]" 1
438 1 106 LEU HB3 1 107 PRO HD2 . . 5.450 3.599 2.220 5.137 . 0 0 "[ . 1 . 2]" 1
439 1 106 LEU HB3 1 107 PRO HD3 . . 5.450 4.406 3.440 5.237 . 0 0 "[ . 1 . 2]" 1
440 1 42 GLN HE21 1 107 PRO HB2 . . 5.500 3.964 2.256 5.516 0.016 6 0 "[ . 1 . 2]" 1
441 1 42 GLN HE21 1 107 PRO HB3 . . 5.500 3.245 1.987 4.596 . 0 0 "[ . 1 . 2]" 1
442 1 42 GLN HB2 1 107 PRO HB3 . . 6.230 4.413 2.505 5.726 . 0 0 "[ . 1 . 2]" 1
443 1 42 GLN HE22 1 107 PRO HB2 . . 5.500 3.725 2.292 5.290 . 0 0 "[ . 1 . 2]" 1
444 1 106 LEU HA 1 107 PRO HG3 . . 5.340 4.349 3.993 4.596 . 0 0 "[ . 1 . 2]" 1
445 1 106 LEU HA 1 107 PRO HG2 . . 5.340 4.361 4.095 4.668 . 0 0 "[ . 1 . 2]" 1
446 1 107 PRO HG2 1 108 ASN H . . 5.500 5.249 4.697 5.594 0.094 16 0 "[ . 1 . 2]" 1
447 1 106 LEU HA 1 107 PRO HD2 . . 3.050 2.339 1.928 3.002 . 0 0 "[ . 1 . 2]" 1
448 1 106 LEU HA 1 107 PRO HD3 . . 3.050 2.314 1.922 2.661 . 0 0 "[ . 1 . 2]" 1
449 1 106 LEU H 1 107 PRO HD3 . . 5.500 4.721 3.969 5.213 . 0 0 "[ . 1 . 2]" 1
450 1 106 LEU HB2 1 107 PRO HD2 . . 5.450 4.154 2.704 4.854 . 0 0 "[ . 1 . 2]" 1
451 1 109 LYS QD 1 110 ALA H . . 6.390 4.221 1.939 5.645 . 0 0 "[ . 1 . 2]" 1
452 1 44 MET H 1 44 MET HG3 . . 5.160 3.907 2.403 4.799 . 0 0 "[ . 1 . 2]" 1
453 1 44 MET H 1 44 MET HG2 . . 5.160 3.680 2.492 5.136 . 0 0 "[ . 1 . 2]" 1
454 1 15 GLY HA3 1 57 TYR QE . . 7.650 5.585 3.159 7.709 0.059 9 0 "[ . 1 . 2]" 1
455 1 15 GLY HA2 1 57 TYR QE . . 7.650 4.184 2.188 6.077 . 0 0 "[ . 1 . 2]" 1
456 1 57 TYR QE 1 60 GLY HA3 . . 7.650 4.956 3.717 6.856 . 0 0 "[ . 1 . 2]" 1
457 1 57 TYR QE 1 60 GLY HA2 . . 7.650 3.526 2.183 5.790 . 0 0 "[ . 1 . 2]" 1
458 1 87 ALA HA 1 108 ASN HD22 . . 6.000 3.912 2.184 4.960 . 0 0 "[ . 1 . 2]" 1
459 1 86 LEU HA 1 108 ASN HD21 . . 6.000 4.161 2.876 5.527 . 0 0 "[ . 1 . 2]" 1
460 1 56 SER HB2 1 63 THR HB . . 5.130 4.028 2.103 5.272 0.142 17 0 "[ . 1 . 2]" 1
461 1 70 THR HG1 1 79 ILE HB . . 5.500 3.396 1.820 5.505 0.005 9 0 "[ . 1 . 2]" 1
462 1 70 THR HB 1 79 ILE HB . . 5.500 4.089 2.269 5.638 0.138 5 0 "[ . 1 . 2]" 1
463 1 3 PHE QE 1 100 VAL HA . . 7.650 4.067 3.378 4.868 . 0 0 "[ . 1 . 2]" 1
464 1 3 PHE QD 1 100 VAL HA . . 7.650 3.151 2.587 3.790 . 0 0 "[ . 1 . 2]" 1
465 1 90 PRO HD2 1 101 SER HB3 . . 7.290 2.789 1.969 4.056 . 0 0 "[ . 1 . 2]" 1
466 1 12 ILE HB 1 13 TRP HD1 . . 5.070 5.139 5.088 5.216 0.146 9 0 "[ . 1 . 2]" 1
467 1 72 ASN HB2 1 79 ILE HG12 . . 7.280 4.109 2.167 7.411 0.131 7 0 "[ . 1 . 2]" 1
468 1 70 THR HG1 1 80 ASN HB2 . . 5.500 4.955 3.013 5.701 0.201 18 0 "[ . 1 . 2]" 1
469 1 70 THR HG1 1 80 ASN HB3 . . 5.500 4.501 2.928 5.529 0.029 8 0 "[ . 1 . 2]" 1
470 1 3 PHE HZ 1 90 PRO HB2 . . 4.420 3.165 2.575 4.077 . 0 0 "[ . 1 . 2]" 1
471 1 3 PHE QE 1 90 PRO HB2 . . 7.650 2.677 1.934 3.402 . 0 0 "[ . 1 . 2]" 1
472 1 3 PHE QE 1 92 GLU QG . . 8.540 3.672 2.050 5.632 . 0 0 "[ . 1 . 2]" 1
473 1 3 PHE HZ 1 92 GLU QG . . 6.390 4.825 3.182 6.468 0.078 6 0 "[ . 1 . 2]" 1
474 1 3 PHE QD 1 92 GLU QG . . 8.540 4.033 2.375 5.964 . 0 0 "[ . 1 . 2]" 1
475 1 3 PHE HZ 1 90 PRO HB3 . . 4.420 3.609 2.595 4.455 0.035 4 0 "[ . 1 . 2]" 1
476 1 3 PHE QE 1 90 PRO HB3 . . 7.650 3.616 2.920 4.301 . 0 0 "[ . 1 . 2]" 1
477 1 90 PRO HD3 1 101 SER H . . 5.500 5.117 4.691 5.536 0.036 20 0 "[ . 1 . 2]" 1
478 1 89 TYR QD 1 90 PRO HD3 . . 7.650 4.018 3.428 4.869 . 0 0 "[ . 1 . 2]" 1
479 1 89 TYR QD 1 90 PRO HD2 . . 7.650 3.541 2.494 3.951 . 0 0 "[ . 1 . 2]" 1
480 1 3 PHE QD 1 91 VAL HA . . 7.650 3.825 3.245 5.230 . 0 0 "[ . 1 . 2]" 1
481 1 3 PHE QE 1 91 VAL HA . . 7.650 3.651 2.471 5.232 . 0 0 "[ . 1 . 2]" 1
482 1 106 LEU H 1 107 PRO HD2 . . 5.500 4.909 4.640 5.293 . 0 0 "[ . 1 . 2]" 1
483 1 39 LYS HB2 1 41 TYR QE . . 7.650 3.065 2.294 4.676 . 0 0 "[ . 1 . 2]" 1
484 1 39 LYS HB3 1 41 TYR QE . . 7.650 2.954 2.232 4.265 . 0 0 "[ . 1 . 2]" 1
485 1 12 ILE HG12 1 32 ASN HD21 . . 7.250 4.635 3.806 5.480 . 0 0 "[ . 1 . 2]" 1
486 1 12 ILE HG13 1 32 ASN HD21 . . 7.250 3.178 2.338 5.101 . 0 0 "[ . 1 . 2]" 1
487 1 56 SER HB2 1 63 THR H . . 5.500 4.610 2.947 5.662 0.162 1 0 "[ . 1 . 2]" 1
488 1 56 SER HB3 1 63 THR H . . 5.500 4.087 2.223 5.528 0.028 8 0 "[ . 1 . 2]" 1
489 1 58 GLU QB 1 61 VAL HB . . 6.300 2.719 1.811 5.378 . 0 0 "[ . 1 . 2]" 1
490 1 8 SER HA 1 98 ILE HB . . 5.500 3.569 2.884 4.274 . 0 0 "[ . 1 . 2]" 1
491 1 21 GLU HG3 1 22 THR H . . 5.500 3.146 2.792 4.990 . 0 0 "[ . 1 . 2]" 1
492 1 42 GLN HB2 1 87 ALA H . . 5.500 3.861 2.610 5.699 0.199 15 0 "[ . 1 . 2]" 1
493 1 92 GLU HB3 1 99 TYR H . . 5.960 3.895 3.103 4.685 . 0 0 "[ . 1 . 2]" 1
494 1 42 GLN HA 1 87 ALA MB . . 6.530 4.944 3.431 6.440 . 0 0 "[ . 1 . 2]" 1
495 1 87 ALA MB 1 108 ASN HB2 . . 6.530 2.928 1.884 4.984 . 0 0 "[ . 1 . 2]" 1
496 1 87 ALA MB 1 89 TYR QE . . 8.680 3.473 2.170 6.520 . 0 0 "[ . 1 . 2]" 1
497 1 17 MET HA 1 31 VAL MG1 . . 6.530 4.119 3.420 5.328 . 0 0 "[ . 1 . 2]" 1
498 1 17 MET HA 1 31 VAL MG2 . . 6.530 3.566 2.971 3.956 . 0 0 "[ . 1 . 2]" 1
499 1 21 GLU HA 1 22 THR MG . . 5.880 3.443 3.231 3.628 . 0 0 "[ . 1 . 2]" 1
500 1 6 ILE MG 1 20 PHE HB2 . . 5.190 4.169 2.347 5.010 . 0 0 "[ . 1 . 2]" 1
501 1 20 PHE HB2 1 28 VAL MG2 . . 9.620 5.212 4.793 5.997 . 0 0 "[ . 1 . 2]" 1
502 1 87 ALA MB 1 88 GLU HA . . 6.000 4.247 4.024 4.368 . 0 0 "[ . 1 . 2]" 1
503 1 41 TYR HA 1 87 ALA MB . . 6.530 4.296 3.444 5.204 . 0 0 "[ . 1 . 2]" 1
504 1 8 SER HA 1 98 ILE MD . . 5.910 3.921 3.126 4.788 . 0 0 "[ . 1 . 2]" 1
505 1 5 LYS HA 1 98 ILE MG . . 5.750 4.670 4.330 5.150 . 0 0 "[ . 1 . 2]" 1
506 1 19 THR MG 1 27 GLU HB2 . . 5.160 3.812 2.045 5.024 . 0 0 "[ . 1 . 2]" 1
507 1 19 THR MG 1 27 GLU HB3 . . 5.160 2.981 1.928 5.021 . 0 0 "[ . 1 . 2]" 1
508 1 38 VAL HB 1 98 ILE MD . . 6.120 3.803 3.465 4.468 . 0 0 "[ . 1 . 2]" 1
509 1 98 ILE MG 1 100 VAL HA . . 5.940 4.477 3.973 4.812 . 0 0 "[ . 1 . 2]" 1
510 1 91 VAL HA 1 100 VAL QG . . 6.720 2.831 2.308 3.176 . 0 0 "[ . 1 . 2]" 1
511 1 6 ILE HA 1 100 VAL QG . . 7.590 4.211 3.260 5.242 . 0 0 "[ . 1 . 2]" 1
512 1 28 VAL HA 1 43 ALA MB . . 5.160 2.747 2.393 3.256 . 0 0 "[ . 1 . 2]" 1
513 1 57 TYR HB2 1 62 ILE MG . . 6.530 3.970 2.797 5.121 . 0 0 "[ . 1 . 2]" 1
514 1 57 TYR HB3 1 62 ILE MG . . 6.530 5.329 4.184 6.530 0.000 4 0 "[ . 1 . 2]" 1
515 1 89 TYR HB2 1 102 THR MG . . 6.530 5.064 3.152 6.556 0.026 19 0 "[ . 1 . 2]" 1
516 1 89 TYR HB3 1 91 VAL MG1 . . 9.620 6.117 4.826 8.534 . 0 0 "[ . 1 . 2]" 1
517 1 89 TYR HB3 1 102 THR MG . . 6.530 4.599 2.767 6.630 0.100 2 0 "[ . 1 . 2]" 1
518 1 6 ILE HB 1 100 VAL QG . . 6.100 2.481 1.805 3.790 . 0 0 "[ . 1 . 2]" 1
519 1 90 PRO HB2 1 105 ILE MD . . 6.500 4.781 4.220 5.550 . 0 0 "[ . 1 . 2]" 1
520 1 19 THR MG 1 28 VAL HB . . 6.280 5.173 4.416 6.364 0.084 11 0 "[ . 1 . 2]" 1
521 1 28 VAL MG1 1 29 LEU H . . 5.160 2.392 2.306 2.519 . 0 0 "[ . 1 . 2]" 1
522 1 19 THR MG 1 28 VAL HA . . 6.530 4.539 3.584 6.025 . 0 0 "[ . 1 . 2]" 1
523 1 42 GLN HB2 1 87 ALA MB . . 5.970 4.096 2.073 5.802 . 0 0 "[ . 1 . 2]" 1
524 1 6 ILE MG 1 7 CYS HA . . 6.310 3.940 3.717 4.055 . 0 0 "[ . 1 . 2]" 1
525 1 92 GLU HB2 1 93 VAL MG2 . . 9.620 6.387 5.065 6.992 . 0 0 "[ . 1 . 2]" 1
526 1 92 GLU HB3 1 93 VAL MG2 . . 9.620 5.914 4.849 6.412 . 0 0 "[ . 1 . 2]" 1
527 1 98 ILE MG 1 100 VAL HB . . 4.920 4.351 3.285 4.983 0.063 20 0 "[ . 1 . 2]" 1
528 1 100 VAL QG 1 101 SER H . . 6.190 2.715 2.152 3.502 . 0 0 "[ . 1 . 2]" 1
529 1 9 LEU HA 1 98 ILE MD . . 4.540 2.731 2.297 3.511 . 0 0 "[ . 1 . 2]" 1
530 1 6 ILE MD 1 7 CYS H . . 6.400 4.504 4.342 4.669 . 0 0 "[ . 1 . 2]" 1
531 1 6 ILE MD 1 20 PHE HB2 . . 5.070 2.532 2.023 3.636 . 0 0 "[ . 1 . 2]" 1
532 1 6 ILE MD 1 20 PHE HB3 . . 5.070 2.450 2.012 3.416 . 0 0 "[ . 1 . 2]" 1
533 1 87 ALA MB 1 89 TYR QD . . 8.680 3.979 2.789 4.992 . 0 0 "[ . 1 . 2]" 1
534 1 29 LEU MD1 1 41 TYR HB2 . . 9.370 5.540 2.060 7.561 . 0 0 "[ . 1 . 2]" 1
535 1 9 LEU H 1 9 LEU MD1 . . 5.470 4.104 3.641 4.358 . 0 0 "[ . 1 . 2]" 1
536 1 91 VAL MG1 1 92 GLU H . . 5.260 3.207 2.374 4.050 . 0 0 "[ . 1 . 2]" 1
537 1 4 GLU QB 1 100 VAL QG . . 8.480 3.624 2.751 5.150 . 0 0 "[ . 1 . 2]" 1
538 1 4 GLU QB 1 6 ILE MD . . 7.420 4.649 2.720 5.432 . 0 0 "[ . 1 . 2]" 1
539 1 5 LYS HE3 1 6 ILE MG . . 6.530 5.921 5.122 6.675 0.145 15 0 "[ . 1 . 2]" 1
540 1 5 LYS HE2 1 6 ILE MG . . 6.530 6.012 4.698 6.619 0.089 14 0 "[ . 1 . 2]" 1
541 1 6 ILE MD 1 21 GLU HA . . 6.530 4.295 3.392 5.583 . 0 0 "[ . 1 . 2]" 1
542 1 19 THR MG 1 27 GLU H . . 6.530 5.538 4.741 6.597 0.067 15 0 "[ . 1 . 2]" 1
543 1 19 THR MG 1 21 GLU H . . 6.530 4.736 4.310 5.264 . 0 0 "[ . 1 . 2]" 1
544 1 19 THR MG 1 27 GLU HA . . 5.940 3.820 3.113 5.004 . 0 0 "[ . 1 . 2]" 1
545 1 41 TYR HB2 1 86 LEU MD1 . . 9.150 3.472 1.827 5.292 . 0 0 "[ . 1 . 2]" 1
546 1 29 LEU MD1 1 41 TYR HB3 . . 9.370 6.488 3.561 7.943 . 0 0 "[ . 1 . 2]" 1
547 1 97 ASP HA 1 98 ILE MD . . 6.530 4.821 4.115 5.103 . 0 0 "[ . 1 . 2]" 1
548 1 102 THR MG 1 105 ILE HB . . 6.530 4.845 3.574 6.521 . 0 0 "[ . 1 . 2]" 1
549 1 62 ILE MD 1 71 PHE QB . . 7.410 4.208 1.938 6.994 . 0 0 "[ . 1 . 2]" 1
550 1 87 ALA MB 1 89 TYR H . . 5.690 4.834 4.205 5.533 . 0 0 "[ . 1 . 2]" 1
551 1 62 ILE MG 1 71 PHE QB . . 7.410 3.347 2.095 5.702 . 0 0 "[ . 1 . 2]" 1
552 1 61 VAL QG 1 70 THR HB . . 6.190 3.048 1.888 5.255 . 0 0 "[ . 1 . 2]" 1
553 1 14 VAL MG1 1 15 GLY HA3 . . 9.620 4.015 3.387 5.546 . 0 0 "[ . 1 . 2]" 1
554 1 14 VAL MG1 1 15 GLY HA2 . . 9.620 4.593 3.610 5.639 . 0 0 "[ . 1 . 2]" 1
555 1 12 ILE MD 1 16 GLU HG3 . . 6.530 5.137 2.714 6.599 0.069 11 0 "[ . 1 . 2]" 1
556 1 12 ILE MD 1 16 GLU HG2 . . 6.530 5.362 3.015 6.614 0.084 18 0 "[ . 1 . 2]" 1
557 1 12 ILE MD 1 16 GLU HB3 . . 6.060 3.770 1.790 5.084 . 0 0 "[ . 1 . 2]" 1
558 1 26 THR MG 1 27 GLU H . . 4.230 2.773 2.521 3.083 . 0 0 "[ . 1 . 2]" 1
559 1 22 THR MG 1 23 SER H . . 5.230 3.787 3.701 3.895 . 0 0 "[ . 1 . 2]" 1
560 1 89 TYR QE 1 102 THR MG . . 8.210 3.404 2.194 5.888 . 0 0 "[ . 1 . 2]" 1
561 1 89 TYR QD 1 102 THR MG . . 8.680 3.600 2.308 5.497 . 0 0 "[ . 1 . 2]" 1
562 1 20 PHE QD 1 30 ILE MD . . 8.680 2.618 1.839 4.438 . 0 0 "[ . 1 . 2]" 1
563 1 30 ILE MD 1 31 VAL H . . 5.780 4.372 2.612 5.220 . 0 0 "[ . 1 . 2]" 1
564 1 30 ILE MD 1 41 TYR H . . 5.940 4.346 3.472 5.946 0.006 19 0 "[ . 1 . 2]" 1
565 1 28 VAL HB 1 30 ILE MD . . 5.880 3.023 2.101 5.405 . 0 0 "[ . 1 . 2]" 1
566 1 20 PHE QD 1 30 ILE MG . . 8.210 3.643 2.150 4.459 . 0 0 "[ . 1 . 2]" 1
567 1 31 VAL MG2 1 73 ASP HB2 . . 9.560 6.134 4.714 8.634 . 0 0 "[ . 1 . 2]" 1
568 1 31 VAL MG2 1 32 ASN H . . 5.950 3.792 2.531 4.298 . 0 0 "[ . 1 . 2]" 1
569 1 30 ILE MD 1 40 ALA HA . . 5.260 3.527 2.425 4.903 . 0 0 "[ . 1 . 2]" 1
570 1 30 ILE MG 1 40 ALA HA . . 6.030 3.914 3.310 5.241 . 0 0 "[ . 1 . 2]" 1
571 1 40 ALA MB 1 89 TYR QD . . 8.680 2.975 2.230 3.756 . 0 0 "[ . 1 . 2]" 1
572 1 40 ALA MB 1 89 TYR HB2 . . 5.070 2.640 1.847 5.080 0.010 20 0 "[ . 1 . 2]" 1
573 1 40 ALA MB 1 89 TYR HB3 . . 5.070 3.673 1.958 5.150 0.080 17 0 "[ . 1 . 2]" 1
574 1 30 ILE MD 1 40 ALA MB . . 5.760 2.806 2.001 3.787 . 0 0 "[ . 1 . 2]" 1
575 1 40 ALA MB 1 100 VAL QG . . 7.750 2.308 1.964 3.044 . 0 0 "[ . 1 . 2]" 1
576 1 28 VAL H 1 43 ALA MB . . 5.350 3.491 2.639 4.181 . 0 0 "[ . 1 . 2]" 1
577 1 57 TYR HA 1 62 ILE MG . . 6.530 3.756 2.862 4.651 . 0 0 "[ . 1 . 2]" 1
578 1 61 VAL QG 1 70 THR MG . . 8.210 2.438 1.820 3.657 . 0 0 "[ . 1 . 2]" 1
579 1 79 ILE MG 1 80 ASN H . . 5.260 3.475 3.075 3.835 . 0 0 "[ . 1 . 2]" 1
580 1 6 ILE HB 1 22 THR MG . . 5.810 4.645 3.316 5.820 0.010 19 0 "[ . 1 . 2]" 1
581 1 93 VAL HA 1 98 ILE MG . . 6.530 3.475 2.789 3.940 . 0 0 "[ . 1 . 2]" 1
582 1 6 ILE MG 1 20 PHE HB3 . . 5.190 4.552 2.051 5.160 . 0 0 "[ . 1 . 2]" 1
583 1 7 CYS H 1 98 ILE MG . . 4.330 3.624 3.252 3.924 . 0 0 "[ . 1 . 2]" 1
584 1 6 ILE MG 1 20 PHE QD . . 8.330 4.054 2.699 4.713 . 0 0 "[ . 1 . 2]" 1
585 1 6 ILE MD 1 20 PHE QD . . 8.460 3.644 2.533 4.587 . 0 0 "[ . 1 . 2]" 1
586 1 6 ILE MD 1 20 PHE H . . 5.570 4.641 3.707 5.606 0.036 19 0 "[ . 1 . 2]" 1
587 1 6 ILE MD 1 100 VAL H . . 6.530 5.497 4.193 6.393 . 0 0 "[ . 1 . 2]" 1
588 1 6 ILE MD 1 22 THR H . . 6.060 4.271 3.539 5.805 . 0 0 "[ . 1 . 2]" 1
589 1 6 ILE MD 1 21 GLU H . . 5.880 3.610 3.178 4.127 . 0 0 "[ . 1 . 2]" 1
590 1 7 CYS HB2 1 98 ILE MG . . 6.340 4.688 3.290 5.643 . 0 0 "[ . 1 . 2]" 1
591 1 7 CYS HB3 1 98 ILE MG . . 6.340 5.390 4.734 6.214 . 0 0 "[ . 1 . 2]" 1
592 1 9 LEU MD2 1 10 ASP H . . 7.030 4.279 3.716 4.809 . 0 0 "[ . 1 . 2]" 1
593 1 9 LEU HA 1 12 ILE MG . . 4.790 3.624 2.038 4.874 0.084 3 0 "[ . 1 . 2]" 1
594 1 12 ILE MG 1 98 ILE MD . . 6.190 3.322 1.775 6.228 0.038 17 0 "[ . 1 . 2]" 1
595 1 12 ILE HG13 1 98 ILE MD . . 6.530 3.561 2.856 5.628 . 0 0 "[ . 1 . 2]" 1
596 1 12 ILE MD 1 16 GLU HB2 . . 6.060 3.789 2.277 6.065 0.005 3 0 "[ . 1 . 2]" 1
597 1 12 ILE MD 1 17 MET HA . . 4.640 2.983 2.170 4.684 0.044 3 0 "[ . 1 . 2]" 1
598 1 12 ILE MD 1 32 ASN H . . 5.970 2.674 2.065 4.979 . 0 0 "[ . 1 . 2]" 1
599 1 12 ILE MD 1 18 GLU H . . 4.790 3.434 2.648 4.412 . 0 0 "[ . 1 . 2]" 1
600 1 12 ILE MG 1 13 TRP H . . 6.530 4.052 3.733 4.271 . 0 0 "[ . 1 . 2]" 1
601 1 12 ILE MG 1 32 ASN H . . 6.530 5.047 4.046 5.775 . 0 0 "[ . 1 . 2]" 1
602 1 14 VAL MG1 1 34 GLU H . . 6.280 4.445 2.050 6.183 . 0 0 "[ . 1 . 2]" 1
603 1 14 VAL MG2 1 34 GLU H . . 6.280 3.875 2.539 5.668 . 0 0 "[ . 1 . 2]" 1
604 1 14 VAL MG2 1 15 GLY H . . 5.910 3.392 2.640 4.179 . 0 0 "[ . 1 . 2]" 1
605 1 17 MET HB2 1 29 LEU MD1 . . 7.220 2.827 1.961 4.101 . 0 0 "[ . 1 . 2]" 1
606 1 17 MET HB2 1 29 LEU MD2 . . 7.220 3.242 1.821 5.194 . 0 0 "[ . 1 . 2]" 1
607 1 17 MET HB3 1 29 LEU MD1 . . 7.220 3.983 2.211 5.288 . 0 0 "[ . 1 . 2]" 1
608 1 17 MET HB3 1 31 VAL MG2 . . 9.560 2.196 1.858 2.813 . 0 0 "[ . 1 . 2]" 1
609 1 17 MET HB2 1 31 VAL MG2 . . 9.560 2.473 1.930 4.169 . 0 0 "[ . 1 . 2]" 1
610 1 17 MET HG2 1 29 LEU MD2 . . 9.210 4.580 2.778 7.304 . 0 0 "[ . 1 . 2]" 1
611 1 17 MET HG3 1 29 LEU MD2 . . 9.210 3.967 2.404 6.496 . 0 0 "[ . 1 . 2]" 1
612 1 18 GLU HB2 1 52 LEU MD2 . . 9.620 8.249 6.878 9.642 0.022 2 0 "[ . 1 . 2]" 1
613 1 29 LEU MD2 1 53 SER HB3 . . 8.160 4.000 2.146 5.665 . 0 0 "[ . 1 . 2]" 1
614 1 21 GLU HA 1 26 THR MG . . 6.530 5.034 4.855 5.277 . 0 0 "[ . 1 . 2]" 1
615 1 6 ILE MD 1 22 THR HB . . 6.530 4.385 3.518 6.116 . 0 0 "[ . 1 . 2]" 1
616 1 22 THR MG 1 24 ASP H . . 5.500 4.049 3.922 4.332 . 0 0 "[ . 1 . 2]" 1
617 1 22 THR MG 1 26 THR HA . . 4.480 4.548 4.512 4.585 0.105 3 0 "[ . 1 . 2]" 1
618 1 22 THR MG 1 28 VAL HB . . 5.410 3.509 3.128 4.070 . 0 0 "[ . 1 . 2]" 1
619 1 6 ILE MD 1 22 THR MG . . 5.450 2.846 1.995 4.733 . 0 0 "[ . 1 . 2]" 1
620 1 6 ILE MD 1 22 THR HA . . 4.300 2.922 2.277 4.339 0.039 8 0 "[ . 1 . 2]" 1
621 1 22 THR MG 1 23 SER HA . . 6.530 5.632 5.578 5.669 . 0 0 "[ . 1 . 2]" 1
622 1 27 GLU HB3 1 43 ALA MB . . 4.230 3.026 1.969 4.241 0.011 8 0 "[ . 1 . 2]" 1
623 1 19 THR MG 1 27 GLU HG2 . . 6.370 3.943 2.106 5.005 . 0 0 "[ . 1 . 2]" 1
624 1 19 THR MG 1 27 GLU HG3 . . 6.370 4.170 2.530 5.775 . 0 0 "[ . 1 . 2]" 1
625 1 28 VAL MG1 1 30 ILE HG12 . . 8.060 3.929 2.805 5.797 . 0 0 "[ . 1 . 2]" 1
626 1 28 VAL MG1 1 89 TYR HB3 . . 9.620 4.769 2.934 6.507 . 0 0 "[ . 1 . 2]" 1
627 1 20 PHE HB3 1 28 VAL MG2 . . 9.620 6.002 5.667 6.329 . 0 0 "[ . 1 . 2]" 1
628 1 100 VAL QG 1 102 THR MG . . 7.720 3.324 1.931 5.286 . 0 0 "[ . 1 . 2]" 1
629 1 28 VAL MG2 1 30 ILE HG12 . . 8.060 5.679 4.793 7.708 . 0 0 "[ . 1 . 2]" 1
630 1 29 LEU MD2 1 43 ALA HA . . 6.160 3.922 1.976 5.344 . 0 0 "[ . 1 . 2]" 1
631 1 29 LEU MD2 1 53 SER HB2 . . 8.160 4.395 2.746 6.330 . 0 0 "[ . 1 . 2]" 1
632 1 30 ILE HA 1 30 ILE MD . . 4.610 2.789 2.063 3.817 . 0 0 "[ . 1 . 2]" 1
633 1 30 ILE HA 1 40 ALA MB . . 6.400 3.305 2.789 3.662 . 0 0 "[ . 1 . 2]" 1
634 1 12 ILE MD 1 30 ILE HB . . 5.130 3.384 2.546 4.272 . 0 0 "[ . 1 . 2]" 1
635 1 12 ILE HB 1 30 ILE MG . . 4.920 4.161 3.305 4.883 . 0 0 "[ . 1 . 2]" 1
636 1 18 GLU H 1 30 ILE MG . . 5.970 4.023 2.574 4.602 . 0 0 "[ . 1 . 2]" 1
637 1 12 ILE MD 1 30 ILE MG . . 5.760 2.454 1.893 3.271 . 0 0 "[ . 1 . 2]" 1
638 1 31 VAL MG2 1 73 ASP HB3 . . 9.560 6.824 5.042 9.172 . 0 0 "[ . 1 . 2]" 1
639 1 12 ILE MD 1 31 VAL HA . . 6.000 3.369 2.820 5.163 . 0 0 "[ . 1 . 2]" 1
640 1 12 ILE MG 1 32 ASN HB2 . . 6.030 4.275 3.406 4.907 . 0 0 "[ . 1 . 2]" 1
641 1 32 ASN HB2 1 38 VAL QG . . 7.590 2.645 2.366 3.440 . 0 0 "[ . 1 . 2]" 1
642 1 12 ILE MG 1 32 ASN HB3 . . 6.030 4.797 4.061 5.256 . 0 0 "[ . 1 . 2]" 1
643 1 32 ASN HB3 1 38 VAL QG . . 7.590 3.926 3.604 4.805 . 0 0 "[ . 1 . 2]" 1
644 1 61 VAL QG 1 71 PHE HA . . 7.590 4.779 3.972 6.559 . 0 0 "[ . 1 . 2]" 1
645 1 31 VAL MG2 1 33 SER HB2 . . 8.310 5.547 3.163 6.943 . 0 0 "[ . 1 . 2]" 1
646 1 31 VAL MG1 1 33 SER HB2 . . 8.310 4.111 2.571 5.821 . 0 0 "[ . 1 . 2]" 1
647 1 38 VAL HA 1 98 ILE MD . . 6.530 5.233 4.820 6.389 . 0 0 "[ . 1 . 2]" 1
648 1 38 VAL QG 1 98 ILE HA . . 7.590 4.613 4.235 5.217 . 0 0 "[ . 1 . 2]" 1
649 1 38 VAL QG 1 39 LYS H . . 6.900 2.690 2.447 2.807 . 0 0 "[ . 1 . 2]" 1
650 1 40 ALA MB 1 91 VAL HB . . 6.370 3.505 2.019 4.804 . 0 0 "[ . 1 . 2]" 1
651 1 40 ALA MB 1 100 VAL HB . . 5.970 3.543 2.730 4.266 . 0 0 "[ . 1 . 2]" 1
652 1 42 GLN HB3 1 87 ALA MB . . 5.970 4.220 1.848 6.033 0.063 12 0 "[ . 1 . 2]" 1
653 1 42 GLN HG2 1 86 LEU MD2 . . 9.620 4.635 2.161 7.570 . 0 0 "[ . 1 . 2]" 1
654 1 42 GLN HG3 1 86 LEU MD2 . . 9.620 4.902 1.996 7.487 . 0 0 "[ . 1 . 2]" 1
655 1 29 LEU MD1 1 43 ALA HA . . 6.160 4.150 3.073 5.122 . 0 0 "[ . 1 . 2]" 1
656 1 27 GLU HB2 1 43 ALA MB . . 4.230 3.231 2.336 4.283 0.053 4 0 "[ . 1 . 2]" 1
657 1 29 LEU HA 1 43 ALA MB . . 4.420 3.216 2.887 4.011 . 0 0 "[ . 1 . 2]" 1
658 1 27 GLU HA 1 43 ALA MB . . 5.750 4.173 3.382 4.910 . 0 0 "[ . 1 . 2]" 1
659 1 62 ILE MD 1 73 ASP H . . 6.530 4.273 2.226 5.571 . 0 0 "[ . 1 . 2]" 1
660 1 57 TYR QD 1 62 ILE MD . . 8.680 2.614 1.754 5.160 . 0 0 "[ . 1 . 2]" 1
661 1 62 ILE MD 1 71 PHE QD . . 8.680 3.608 1.864 5.794 . 0 0 "[ . 1 . 2]" 1
662 1 61 VAL QG 1 70 THR HA . . 7.590 3.138 1.941 4.897 . 0 0 "[ . 1 . 2]" 1
663 1 72 ASN HB3 1 79 ILE MD . . 5.660 3.211 2.393 4.253 . 0 0 "[ . 1 . 2]" 1
664 1 62 ILE MD 1 73 ASP HB3 . . 6.530 4.037 1.846 6.449 . 0 0 "[ . 1 . 2]" 1
665 1 62 ILE MD 1 73 ASP HB2 . . 6.530 3.453 2.132 6.015 . 0 0 "[ . 1 . 2]" 1
666 1 62 ILE MG 1 73 ASP HA . . 6.530 5.524 3.131 6.628 0.098 17 0 "[ . 1 . 2]" 1
667 1 62 ILE MD 1 73 ASP HA . . 5.540 4.154 2.196 5.548 0.008 10 0 "[ . 1 . 2]" 1
668 1 76 GLY HA3 1 86 LEU MD1 . . 9.620 5.207 2.331 7.763 . 0 0 "[ . 1 . 2]" 1
669 1 76 GLY HA2 1 86 LEU MD1 . . 9.620 4.298 2.154 7.094 . 0 0 "[ . 1 . 2]" 1
670 1 79 ILE HA 1 79 ILE MD . . 4.700 3.162 2.095 3.909 . 0 0 "[ . 1 . 2]" 1
671 1 79 ILE MD 1 80 ASN H . . 6.530 4.145 3.624 4.810 . 0 0 "[ . 1 . 2]" 1
672 1 79 ILE MG 1 80 ASN HB3 . . 6.530 3.992 3.113 5.347 . 0 0 "[ . 1 . 2]" 1
673 1 79 ILE MG 1 80 ASN HB2 . . 6.530 3.420 2.660 4.937 . 0 0 "[ . 1 . 2]" 1
674 1 18 GLU HB3 1 52 LEU MD2 . . 9.620 8.244 6.147 9.723 0.103 15 0 "[ . 1 . 2]" 1
675 1 86 LEU MD2 1 87 ALA H . . 6.530 4.057 3.415 5.303 . 0 0 "[ . 1 . 2]" 1
676 1 41 TYR HB3 1 86 LEU MD1 . . 9.150 3.508 1.944 6.616 . 0 0 "[ . 1 . 2]" 1
677 1 87 ALA HA 1 105 ILE MG . . 6.530 4.709 3.451 6.186 . 0 0 "[ . 1 . 2]" 1
678 1 87 ALA MB 1 107 PRO HA . . 3.800 2.491 1.916 3.768 . 0 0 "[ . 1 . 2]" 1
679 1 87 ALA MB 1 107 PRO HB2 . . 5.780 4.585 2.947 5.803 0.023 3 0 "[ . 1 . 2]" 1
680 1 87 ALA MB 1 107 PRO HB3 . . 5.780 4.028 2.656 5.613 . 0 0 "[ . 1 . 2]" 1
681 1 28 VAL MG1 1 89 TYR HB2 . . 9.620 3.979 2.989 6.494 . 0 0 "[ . 1 . 2]" 1
682 1 89 TYR HB2 1 91 VAL MG1 . . 9.620 5.607 4.524 7.415 . 0 0 "[ . 1 . 2]" 1
683 1 40 ALA MB 1 89 TYR HA . . 6.530 4.632 4.188 5.168 . 0 0 "[ . 1 . 2]" 1
684 1 89 TYR HA 1 105 ILE MG . . 5.500 3.261 2.671 4.127 . 0 0 "[ . 1 . 2]" 1
685 1 90 PRO HB3 1 105 ILE MD . . 6.500 4.923 3.874 6.257 . 0 0 "[ . 1 . 2]" 1
686 1 90 PRO HD2 1 105 ILE MD . . 4.950 2.759 2.148 3.669 . 0 0 "[ . 1 . 2]" 1
687 1 90 PRO HD3 1 105 ILE MD . . 4.950 2.364 1.853 3.802 . 0 0 "[ . 1 . 2]" 1
688 1 91 VAL HB 1 100 VAL QG . . 7.590 3.251 2.150 4.586 . 0 0 "[ . 1 . 2]" 1
689 1 91 VAL HB 1 98 ILE MG . . 6.530 4.359 4.083 4.583 . 0 0 "[ . 1 . 2]" 1
690 1 92 GLU HA 1 93 VAL MG2 . . 5.440 4.992 3.140 5.471 0.031 12 0 "[ . 1 . 2]" 1
691 1 92 GLU HA 1 93 VAL MG1 . . 5.440 3.952 3.474 5.436 . 0 0 "[ . 1 . 2]" 1
692 1 93 VAL MG1 1 94 LYS H . . 4.880 3.869 2.706 4.218 . 0 0 "[ . 1 . 2]" 1
693 1 12 ILE HG12 1 98 ILE MD . . 6.530 3.465 2.750 5.791 . 0 0 "[ . 1 . 2]" 1
694 1 98 ILE H 1 98 ILE MD . . 5.070 4.113 3.602 4.308 . 0 0 "[ . 1 . 2]" 1
695 1 38 VAL QG 1 98 ILE MD . . 6.540 2.174 1.802 2.752 . 0 0 "[ . 1 . 2]" 1
696 1 98 ILE HA 1 98 ILE MD . . 4.420 3.602 2.041 3.816 . 0 0 "[ . 1 . 2]" 1
697 1 6 ILE H 1 98 ILE MG . . 4.140 3.804 3.431 4.197 0.057 18 0 "[ . 1 . 2]" 1
698 1 9 LEU HG 1 98 ILE MD . . 4.920 3.804 2.434 4.986 0.066 7 0 "[ . 1 . 2]" 1
699 1 7 CYS H 1 98 ILE MD . . 6.000 4.935 4.453 5.709 . 0 0 "[ . 1 . 2]" 1
700 1 38 VAL H 1 98 ILE MD . . 6.190 5.777 5.199 6.232 0.042 4 0 "[ . 1 . 2]" 1
701 1 99 TYR HA 1 100 VAL QG . . 7.590 3.383 3.170 3.616 . 0 0 "[ . 1 . 2]" 1
702 1 98 ILE MG 1 99 TYR HA . . 5.540 3.597 3.192 3.763 . 0 0 "[ . 1 . 2]" 1
703 1 89 TYR HB3 1 100 VAL QG . . 6.320 3.448 2.173 6.268 . 0 0 "[ . 1 . 2]" 1
704 1 89 TYR HB2 1 100 VAL QG . . 6.320 3.411 2.106 5.767 . 0 0 "[ . 1 . 2]" 1
705 1 90 PRO HA 1 100 VAL QG . . 7.430 5.003 4.228 5.882 . 0 0 "[ . 1 . 2]" 1
706 1 100 VAL QG 1 102 THR H . . 7.590 3.917 3.483 4.782 . 0 0 "[ . 1 . 2]" 1
707 1 4 GLU H 1 100 VAL QG . . 7.090 3.552 3.067 4.499 . 0 0 "[ . 1 . 2]" 1
708 1 100 VAL QG 1 101 SER HA . . 7.590 3.662 3.425 3.944 . 0 0 "[ . 1 . 2]" 1
709 1 105 ILE HA 1 105 ILE MD . . 4.540 3.361 2.004 3.868 . 0 0 "[ . 1 . 2]" 1
710 1 90 PRO QG 1 105 ILE MD . . 6.800 2.833 2.124 4.367 . 0 0 "[ . 1 . 2]" 1
711 1 89 TYR HA 1 105 ILE MD . . 4.510 2.943 2.036 3.831 . 0 0 "[ . 1 . 2]" 1
712 1 89 TYR QD 1 105 ILE MD . . 7.780 3.345 1.912 4.641 . 0 0 "[ . 1 . 2]" 1
713 1 87 ALA MB 1 105 ILE MG . . 5.910 2.868 2.161 3.833 . 0 0 "[ . 1 . 2]" 1
714 1 89 TYR QE 1 105 ILE MG . . 7.930 3.193 2.383 5.334 . 0 0 "[ . 1 . 2]" 1
715 1 89 TYR QD 1 105 ILE MG . . 8.400 2.983 1.814 3.759 . 0 0 "[ . 1 . 2]" 1
716 1 88 GLU H 1 105 ILE MG . . 6.530 4.576 3.138 6.218 . 0 0 "[ . 1 . 2]" 1
717 1 105 ILE MG 1 106 LEU H . . 4.540 2.861 2.437 3.996 . 0 0 "[ . 1 . 2]" 1
718 1 106 LEU QD 1 107 PRO HD3 . . 6.500 3.964 2.810 4.822 . 0 0 "[ . 1 . 2]" 1
719 1 106 LEU QD 1 107 PRO HD2 . . 6.500 3.111 1.905 4.412 . 0 0 "[ . 1 . 2]" 1
720 1 87 ALA MB 1 108 ASN HB3 . . 6.530 3.655 2.077 5.072 . 0 0 "[ . 1 . 2]" 1
721 1 17 MET ME 1 53 SER HA . . 4.020 3.381 2.259 4.060 0.040 10 0 "[ . 1 . 2]" 1
722 1 17 MET ME 1 63 THR H . . 6.470 4.670 2.714 5.981 . 0 0 "[ . 1 . 2]" 1
723 1 43 ALA MB 1 44 MET ME . . 7.280 4.152 2.203 6.269 . 0 0 "[ . 1 . 2]" 1
724 1 44 MET H 1 44 MET ME . . 5.660 4.151 1.751 5.705 0.045 4 0 "[ . 1 . 2]" 1
725 1 27 GLU H 1 44 MET ME . . 6.060 4.695 1.955 6.136 0.076 18 0 "[ . 1 . 2]" 1
726 1 87 ALA MB 1 108 ASN H . . 3.990 2.232 1.539 3.638 . 0 0 "[ . 1 . 2]" 1
727 1 87 ALA MB 1 108 ASN HD22 . . 5.320 3.703 1.884 5.327 0.007 2 0 "[ . 1 . 2]" 1
728 1 17 MET ME 1 53 SER H . . 6.530 5.261 4.424 5.903 . 0 0 "[ . 1 . 2]" 1
729 1 17 MET ME 1 57 TYR QD . . 8.680 4.049 3.353 5.049 . 0 0 "[ . 1 . 2]" 1
730 1 63 THR HA 1 70 THR MG . . 6.400 4.517 2.215 6.411 0.011 4 0 "[ . 1 . 2]" 1
731 1 63 THR MG 1 70 THR MG . . 7.560 4.530 2.442 5.975 . 0 0 "[ . 1 . 2]" 1
732 1 17 MET ME 1 57 TYR HB3 . . 4.790 3.303 2.633 4.824 0.034 20 0 "[ . 1 . 2]" 1
733 1 17 MET ME 1 57 TYR HB2 . . 4.790 3.154 2.117 4.361 . 0 0 "[ . 1 . 2]" 1
734 1 17 MET ME 1 57 TYR HA . . 6.530 3.952 3.047 4.735 . 0 0 "[ . 1 . 2]" 1
735 1 17 MET ME 1 56 SER HA . . 4.730 3.602 2.449 4.762 0.032 7 0 "[ . 1 . 2]" 1
736 1 17 MET ME 1 56 SER HB3 . . 6.530 4.575 3.233 6.067 . 0 0 "[ . 1 . 2]" 1
737 1 17 MET ME 1 56 SER HB2 . . 6.530 4.013 1.875 5.529 . 0 0 "[ . 1 . 2]" 1
738 1 9 LEU MD2 1 96 ASP HA . . 5.410 3.905 2.826 5.092 . 0 0 "[ . 1 . 2]" 1
739 1 9 LEU MD1 1 96 ASP HA . . 5.410 3.963 2.759 5.368 . 0 0 "[ . 1 . 2]" 1
740 1 72 ASN HB2 1 79 ILE MD . . 5.660 2.572 2.003 4.625 . 0 0 "[ . 1 . 2]" 1
741 1 61 VAL QG 1 72 ASN HA . . 6.940 3.627 2.913 5.330 . 0 0 "[ . 1 . 2]" 1
742 1 72 ASN HA 1 79 ILE MD . . 5.230 4.049 2.810 5.351 0.121 5 0 "[ . 1 . 2]" 1
743 1 44 MET ME 1 52 LEU MD1 . . 7.560 5.744 2.597 7.577 0.017 19 0 "[ . 1 . 2]" 1
744 1 44 MET ME 1 52 LEU MD2 . . 7.560 5.977 3.204 7.656 0.096 16 0 "[ . 1 . 2]" 1
745 1 57 TYR QE 1 62 ILE MD . . 8.680 3.374 2.353 6.131 . 0 0 "[ . 1 . 2]" 1
746 1 62 ILE MD 1 71 PHE QE . . 8.680 4.234 2.334 6.393 . 0 0 "[ . 1 . 2]" 1
747 1 9 LEU MD2 1 32 ASN HD21 . . 9.340 3.850 2.378 5.467 . 0 0 "[ . 1 . 2]" 1
748 1 9 LEU MD2 1 32 ASN HD22 . . 9.340 3.419 2.319 4.769 . 0 0 "[ . 1 . 2]" 1
749 1 47 HIS QB 1 81 PRO QB . . 5.500 7.778 5.914 11.051 5.551 14 19 [**********-**+*****2] 1
750 1 47 HIS HD2 1 81 PRO QB . . 4.500 8.304 5.160 13.722 9.222 14 20 [**********-**+******] 1
751 1 47 HIS HE1 1 81 PRO QB . . 4.500 5.618 2.675 10.329 5.829 14 11 "[*-***** 1 *+** 2]" 1
752 1 67 HIS QB 1 81 PRO QB . . 5.500 6.383 2.560 10.827 5.327 7 16 "[ * ***+-**** ******2]" 1
753 1 67 HIS HD2 1 81 PRO QB . . 7.000 7.159 4.066 12.069 5.069 7 9 "[ * *-+ 1* * ***2]" 1
754 1 67 HIS HE1 1 81 PRO QB . . 7.000 6.463 3.175 10.034 3.034 17 5 "[ - . * 1 **. + 2]" 1
755 1 47 HIS QB 1 81 PRO QD . . 7.000 6.725 5.115 8.387 1.387 14 6 "[ *. *-*1 +. * 2]" 1
756 1 47 HIS HD2 1 81 PRO QD . . 6.500 7.835 4.582 10.996 4.496 14 14 "[****.***** +*** -]" 1
757 1 47 HIS HE1 1 81 PRO QD . . 5.500 4.874 1.888 7.913 2.413 14 6 "[- **. * 1 +.* 2]" 1
758 1 67 HIS QB 1 81 PRO QD . . 4.500 4.864 1.906 9.094 4.594 7 10 "[ **+**1- ** ** 2]" 1
759 1 67 HIS HD2 1 81 PRO QD . . 6.600 5.968 2.205 10.931 4.331 17 7 "[ - * ** 1* . +* 2]" 1
760 1 67 HIS HE1 1 81 PRO QD . . 7.000 5.572 2.630 9.229 2.229 17 2 "[ . 1 . +- 2]" 1
761 1 21 GLU H 1 21 GLU HB3 . . 3.610 2.590 2.395 3.092 . 0 0 "[ . 1 . 2]" 1
762 1 20 PHE HB2 1 21 GLU H . . 3.730 3.606 2.442 3.785 0.055 12 0 "[ . 1 . 2]" 1
763 1 22 THR H 1 23 SER H . . 4.780 4.573 4.494 4.672 . 0 0 "[ . 1 . 2]" 1
764 1 32 ASN HA 1 33 SER H . . 3.050 2.126 2.046 2.209 . 0 0 "[ . 1 . 2]" 1
765 1 36 HIS H 1 37 GLY H . . 3.620 2.419 2.124 2.587 . 0 0 "[ . 1 . 2]" 1
766 1 40 ALA HA 1 41 TYR H . . 3.080 2.140 2.094 2.195 . 0 0 "[ . 1 . 2]" 1
767 1 53 SER H 1 54 GLU H . . 4.560 2.624 2.311 3.010 . 0 0 "[ . 1 . 2]" 1
768 1 54 GLU H 1 55 GLY H . . 4.090 2.497 2.264 2.883 . 0 0 "[ . 1 . 2]" 1
769 1 58 GLU HA 1 59 GLY H . . 3.050 2.303 2.035 2.583 . 0 0 "[ . 1 . 2]" 1
770 1 59 GLY H 1 60 GLY H . . 3.730 3.612 2.843 3.825 0.095 14 0 "[ . 1 . 2]" 1
771 1 60 GLY H 1 61 VAL H . . 3.520 1.882 1.571 2.401 . 0 0 "[ . 1 . 2]" 1
772 1 74 GLY H 1 75 THR H . . 3.660 2.859 2.291 3.444 . 0 0 "[ . 1 . 2]" 1
773 1 76 GLY H 1 77 HIS H . . 3.700 2.708 1.969 3.512 . 0 0 "[ . 1 . 2]" 1
774 1 80 ASN H 1 80 ASN HB3 . . 3.790 2.964 2.567 3.951 0.161 7 0 "[ . 1 . 2]" 1
775 1 79 ILE HB 1 80 ASN H . . 3.420 2.620 2.188 3.326 . 0 0 "[ . 1 . 2]" 1
776 1 79 ILE H 1 80 ASN H . . 3.980 2.260 1.996 2.481 . 0 0 "[ . 1 . 2]" 1
777 1 82 ASP H 1 82 ASP HB2 . . 3.830 3.264 2.454 3.751 . 0 0 "[ . 1 . 2]" 1
778 1 83 ASP H 1 83 ASP HB3 . . 3.790 2.747 2.326 3.638 . 0 0 "[ . 1 . 2]" 1
779 1 84 CYS H 1 84 CYS HB3 . . 4.200 3.487 2.482 4.161 . 0 0 "[ . 1 . 2]" 1
780 1 83 ASP H 1 84 CYS H . . 3.730 2.659 2.328 2.912 . 0 0 "[ . 1 . 2]" 1
781 1 93 VAL H 1 93 VAL HB . . 2.990 2.960 2.617 3.090 0.100 5 0 "[ . 1 . 2]" 1
782 1 92 GLU HB2 1 93 VAL H . . 3.950 4.053 3.963 4.137 0.187 13 0 "[ . 1 . 2]" 1
783 1 96 ASP H 1 96 ASP HB2 . . 3.980 2.865 2.411 3.874 . 0 0 "[ . 1 . 2]" 1
784 1 97 ASP H 1 97 ASP HB2 . . 3.590 2.616 2.473 3.355 . 0 0 "[ . 1 . 2]" 1
785 1 96 ASP HB3 1 97 ASP H . . 4.240 4.047 3.225 4.304 0.064 18 0 "[ . 1 . 2]" 1
786 1 95 GLY HA3 1 97 ASP H . . 4.380 3.769 3.205 4.503 0.123 13 0 "[ . 1 . 2]" 1
787 1 96 ASP H 1 97 ASP H . . 3.230 2.375 1.990 3.140 . 0 0 "[ . 1 . 2]" 1
788 1 94 LYS QB 1 97 ASP H . . 5.670 3.886 1.925 5.108 . 0 0 "[ . 1 . 2]" 1
789 1 101 SER H 1 101 SER HB2 . . 3.830 2.832 2.502 3.209 . 0 0 "[ . 1 . 2]" 1
790 1 102 THR H 1 103 LYS H . . 3.080 2.039 1.688 2.446 . 0 0 "[ . 1 . 2]" 1
791 1 103 LYS HB3 1 104 GLY H . . 4.450 4.161 1.914 4.403 . 0 0 "[ . 1 . 2]" 1
792 1 104 GLY H 1 105 ILE H . . 3.800 2.463 2.003 3.074 . 0 0 "[ . 1 . 2]" 1
793 1 58 GLU H 1 61 VAL HB . . 3.950 3.680 3.131 4.007 0.057 15 0 "[ . 1 . 2]" 1
794 1 57 TYR HA 1 58 GLU H . . 3.050 2.088 1.994 2.193 . 0 0 "[ . 1 . 2]" 1
795 1 96 ASP HB2 1 97 ASP H . . 4.240 3.658 3.266 4.323 0.083 14 0 "[ . 1 . 2]" 1
796 1 94 LYS H 1 97 ASP H . . 3.590 3.537 3.293 3.716 0.126 18 0 "[ . 1 . 2]" 1
797 1 61 VAL HB 1 62 ILE H . . 4.960 4.105 3.892 4.330 . 0 0 "[ . 1 . 2]" 1
798 1 63 THR H 1 63 THR HB . . 3.610 2.520 2.311 2.838 . 0 0 "[ . 1 . 2]" 1
799 1 56 SER HB3 1 57 TYR H . . 3.480 3.188 2.165 3.659 0.179 11 0 "[ . 1 . 2]" 1
800 1 42 GLN HB2 1 43 ALA H . . 4.380 3.769 2.814 4.283 . 0 0 "[ . 1 . 2]" 1
801 1 6 ILE H 1 7 CYS H . . 3.160 2.150 1.886 2.376 . 0 0 "[ . 1 . 2]" 1
802 1 12 ILE HA 1 13 TRP H . . 3.050 1.983 1.917 2.022 . 0 0 "[ . 1 . 2]" 1
803 1 13 TRP H 1 16 GLU HB3 . . 3.610 3.140 2.030 3.630 0.020 7 0 "[ . 1 . 2]" 1
804 1 29 LEU H 1 42 GLN HA . . 4.060 3.614 3.258 4.081 0.021 10 0 "[ . 1 . 2]" 1
805 1 33 SER H 1 34 GLU H . . 4.780 4.491 4.448 4.540 . 0 0 "[ . 1 . 2]" 1
806 1 42 GLN H 1 42 GLN HB2 . . 3.880 2.916 2.417 3.673 . 0 0 "[ . 1 . 2]" 1
807 1 86 LEU H 1 86 LEU HB3 . . 3.920 3.448 2.519 3.871 . 0 0 "[ . 1 . 2]" 1
808 1 85 CYS HB2 1 86 LEU H . . 3.330 2.694 1.882 3.505 0.175 13 0 "[ . 1 . 2]" 1
809 1 111 HIS HA 1 112 SER H . . 3.410 2.542 2.063 3.488 0.078 17 0 "[ . 1 . 2]" 1
810 1 22 THR H 1 25 GLY H . . 4.380 3.720 3.542 3.869 . 0 0 "[ . 1 . 2]" 1
811 1 35 GLU H 1 36 HIS H . . 3.700 2.340 2.017 2.575 . 0 0 "[ . 1 . 2]" 1
812 1 34 GLU H 1 35 GLU H . . 3.840 2.532 2.299 2.905 . 0 0 "[ . 1 . 2]" 1
813 1 73 ASP H 1 73 ASP HB3 . . 3.840 2.455 2.210 3.018 . 0 0 "[ . 1 . 2]" 1
814 1 41 TYR HA 1 89 TYR H . . 3.830 3.363 2.967 3.941 0.111 11 0 "[ . 1 . 2]" 1
815 1 5 LYS H 1 99 TYR HA . . 4.670 4.314 4.049 4.702 0.032 4 0 "[ . 1 . 2]" 1
816 1 57 TYR H 1 58 GLU H . . 4.450 4.181 4.005 4.340 . 0 0 "[ . 1 . 2]" 1
817 1 29 LEU H 1 41 TYR H . . 4.020 3.185 3.087 3.331 . 0 0 "[ . 1 . 2]" 1
818 1 75 THR H 1 76 GLY H . . 3.300 2.155 1.691 2.550 . 0 0 "[ . 1 . 2]" 1
819 1 12 ILE HB 1 13 TRP H . . 3.920 3.637 2.911 4.015 0.095 6 0 "[ . 1 . 2]" 1
820 1 105 ILE HA 1 106 LEU H . . 2.740 2.149 2.028 2.294 . 0 0 "[ . 1 . 2]" 1
821 1 35 GLU HB2 1 36 HIS H . . 4.200 3.384 2.427 4.076 . 0 0 "[ . 1 . 2]" 1
822 1 41 TYR HB3 1 42 GLN H . . 3.980 3.168 2.489 3.878 . 0 0 "[ . 1 . 2]" 1
823 1 58 GLU H 1 62 ILE HA . . 4.270 3.435 3.026 3.963 . 0 0 "[ . 1 . 2]" 1
824 1 28 VAL HA 1 29 LEU H . . 2.800 2.200 2.107 2.305 . 0 0 "[ . 1 . 2]" 1
825 1 86 LEU HA 1 87 ALA H . . 2.990 2.318 2.027 2.653 . 0 0 "[ . 1 . 2]" 1
826 1 36 HIS HB3 1 37 GLY H . . 4.780 3.791 3.046 4.368 . 0 0 "[ . 1 . 2]" 1
827 1 75 THR HB 1 77 HIS H . . 3.920 3.112 2.482 4.022 0.102 17 0 "[ . 1 . 2]" 1
828 1 39 LYS HB3 1 40 ALA H . . 3.980 3.004 2.607 3.928 . 0 0 "[ . 1 . 2]" 1
829 1 56 SER H 1 63 THR H . . 4.700 4.027 2.932 4.872 0.172 14 0 "[ . 1 . 2]" 1
830 1 62 ILE HA 1 63 THR H . . 3.240 2.162 1.972 2.358 . 0 0 "[ . 1 . 2]" 1
831 1 57 TYR HB3 1 58 GLU H . . 4.490 4.338 4.143 4.438 . 0 0 "[ . 1 . 2]" 1
832 1 4 GLU HA 1 5 LYS H . . 2.590 2.253 2.190 2.334 . 0 0 "[ . 1 . 2]" 1
833 1 95 GLY HA2 1 96 ASP H . . 3.210 3.050 2.035 3.394 0.184 1 0 "[ . 1 . 2]" 1
834 1 97 ASP H 1 97 ASP HB3 . . 3.590 3.546 2.508 3.800 0.210 18 0 "[ . 1 . 2]" 1
835 1 95 GLY HA2 1 97 ASP H . . 4.380 4.384 3.809 4.550 0.170 3 0 "[ . 1 . 2]" 1
836 1 91 VAL HA 1 92 GLU H . . 2.860 2.161 2.072 2.267 . 0 0 "[ . 1 . 2]" 1
837 1 103 LYS HA 1 105 ILE H . . 3.800 3.658 3.356 3.923 0.123 10 0 "[ . 1 . 2]" 1
838 1 105 ILE HB 1 106 LEU H . . 4.340 4.235 3.979 4.378 0.038 14 0 "[ . 1 . 2]" 1
839 1 103 LYS H 1 103 LYS HB3 . . 3.080 2.526 2.359 2.740 . 0 0 "[ . 1 . 2]" 1
840 1 103 LYS HB2 1 104 GLY H . . 4.450 4.320 3.388 4.470 0.020 16 0 "[ . 1 . 2]" 1
841 1 33 SER HB2 1 34 GLU H . . 4.380 3.679 2.493 4.057 . 0 0 "[ . 1 . 2]" 1
842 1 33 SER HB3 1 34 GLU H . . 4.380 3.153 2.509 3.944 . 0 0 "[ . 1 . 2]" 1
843 1 15 GLY H 1 16 GLU H . . 3.550 2.313 2.249 2.410 . 0 0 "[ . 1 . 2]" 1
844 1 7 CYS H 1 98 ILE H . . 4.310 3.734 3.349 4.044 . 0 0 "[ . 1 . 2]" 1
845 1 9 LEU H 1 98 ILE H . . 4.670 4.237 3.094 4.635 . 0 0 "[ . 1 . 2]" 1
846 1 110 ALA HA 1 111 HIS H . . 3.370 3.152 2.129 3.472 0.102 18 0 "[ . 1 . 2]" 1
847 1 109 LYS HB2 1 110 ALA H . . 3.950 3.716 2.384 4.136 0.186 1 0 "[ . 1 . 2]" 1
848 1 9 LEU HA 1 12 ILE H . . 5.460 3.062 2.679 3.381 . 0 0 "[ . 1 . 2]" 1
849 1 22 THR HB 1 23 SER H . . 3.050 2.334 2.134 2.546 . 0 0 "[ . 1 . 2]" 1
850 1 23 SER H 1 24 ASP H . . 3.620 2.560 2.376 2.761 . 0 0 "[ . 1 . 2]" 1
851 1 18 GLU H 1 30 ILE H . . 3.480 3.065 2.861 3.375 . 0 0 "[ . 1 . 2]" 1
852 1 22 THR HA 1 24 ASP H . . 4.490 4.064 3.903 4.447 . 0 0 "[ . 1 . 2]" 1
853 1 56 SER H 1 56 SER HB3 . . 3.790 3.472 2.804 3.844 0.054 15 0 "[ . 1 . 2]" 1
854 1 73 ASP H 1 74 GLY H . . 3.840 2.633 2.314 3.006 . 0 0 "[ . 1 . 2]" 1
855 1 43 ALA H 1 44 MET H . . 3.770 2.573 1.971 3.758 . 0 0 "[ . 1 . 2]" 1
856 1 28 VAL HA 1 44 MET H . . 4.810 4.889 4.513 5.076 0.266 16 0 "[ . 1 . 2]" 1
857 1 42 GLN HA 1 44 MET H . . 4.630 4.145 3.501 4.786 0.156 18 0 "[ . 1 . 2]" 1
858 1 8 SER HA 1 9 LEU H . . 3.020 2.263 2.163 2.336 . 0 0 "[ . 1 . 2]" 1
859 1 8 SER HB3 1 9 LEU H . . 3.730 3.197 2.546 3.828 0.098 1 0 "[ . 1 . 2]" 1
860 1 30 ILE HA 1 31 VAL H . . 3.020 2.101 2.034 2.185 . 0 0 "[ . 1 . 2]" 1
861 1 30 ILE HB 1 31 VAL H . . 5.030 4.304 4.181 4.420 . 0 0 "[ . 1 . 2]" 1
862 1 20 PHE H 1 29 LEU HA . . 3.620 3.581 3.377 3.667 0.047 11 0 "[ . 1 . 2]" 1
863 1 20 PHE H 1 20 PHE HB2 . . 3.790 2.787 2.618 3.811 0.021 8 0 "[ . 1 . 2]" 1
864 1 21 GLU HA 1 22 THR H . . 2.800 2.159 2.092 2.239 . 0 0 "[ . 1 . 2]" 1
865 1 22 THR H 1 26 THR HA . . 5.140 4.502 4.438 4.574 . 0 0 "[ . 1 . 2]" 1
866 1 4 GLU H 1 100 VAL H . . 3.480 2.679 2.367 3.196 . 0 0 "[ . 1 . 2]" 1
867 1 99 TYR HA 1 100 VAL H . . 2.860 2.186 2.084 2.385 . 0 0 "[ . 1 . 2]" 1
868 1 100 VAL H 1 101 SER HA . . 5.240 4.656 4.402 4.920 . 0 0 "[ . 1 . 2]" 1
869 1 3 PHE HA 1 100 VAL H . . 3.830 3.586 2.964 3.899 0.069 9 0 "[ . 1 . 2]" 1
870 1 99 TYR HB3 1 100 VAL H . . 3.890 2.947 2.737 3.892 0.002 6 0 "[ . 1 . 2]" 1
871 1 4 GLU H 1 100 VAL HA . . 5.140 4.503 4.059 4.925 . 0 0 "[ . 1 . 2]" 1
872 1 3 PHE HA 1 4 GLU H . . 2.770 2.082 2.005 2.189 . 0 0 "[ . 1 . 2]" 1
873 1 4 GLU H 1 101 SER HA . . 3.660 3.291 2.509 3.694 0.034 14 0 "[ . 1 . 2]" 1
874 1 5 LYS H 1 5 LYS HB2 . . 3.240 2.656 2.424 2.809 . 0 0 "[ . 1 . 2]" 1
875 1 6 ILE H 1 99 TYR HA . . 3.240 2.896 2.361 3.268 0.028 17 0 "[ . 1 . 2]" 1
876 1 7 CYS H 1 8 SER HA . . 4.740 4.663 4.370 4.778 0.038 11 0 "[ . 1 . 2]" 1
877 1 7 CYS H 1 99 TYR HA . . 4.600 4.546 4.122 4.700 0.100 19 0 "[ . 1 . 2]" 1
878 1 8 SER H 1 11 ASP H . . 4.560 3.598 3.222 3.954 . 0 0 "[ . 1 . 2]" 1
879 1 7 CYS H 1 8 SER H . . 5.030 4.304 4.225 4.400 . 0 0 "[ . 1 . 2]" 1
880 1 7 CYS HA 1 8 SER H . . 3.080 2.577 2.364 2.721 . 0 0 "[ . 1 . 2]" 1
881 1 8 SER H 1 97 ASP HA . . 5.170 5.013 4.657 5.245 0.075 14 0 "[ . 1 . 2]" 1
882 1 8 SER H 1 8 SER HB3 . . 3.860 3.474 2.384 3.849 . 0 0 "[ . 1 . 2]" 1
883 1 9 LEU H 1 10 ASP H . . 3.590 2.526 2.240 2.745 . 0 0 "[ . 1 . 2]" 1
884 1 11 ASP H 1 12 ILE H . . 3.590 2.307 2.038 2.580 . 0 0 "[ . 1 . 2]" 1
885 1 10 ASP H 1 11 ASP H . . 3.410 2.567 2.421 2.712 . 0 0 "[ . 1 . 2]" 1
886 1 9 LEU H 1 11 ASP H . . 4.810 4.040 3.726 4.253 . 0 0 "[ . 1 . 2]" 1
887 1 8 SER HB3 1 10 ASP H . . 4.010 3.373 2.628 4.053 0.043 10 0 "[ . 1 . 2]" 1
888 1 10 ASP H 1 11 ASP QB . . 5.700 4.565 4.210 5.107 . 0 0 "[ . 1 . 2]" 1
889 1 10 ASP H 1 10 ASP HB3 . . 3.550 2.508 2.382 2.696 . 0 0 "[ . 1 . 2]" 1
890 1 94 LYS H 1 99 TYR H . . 4.450 4.359 4.064 4.502 0.052 4 0 "[ . 1 . 2]" 1
891 1 8 SER HB3 1 11 ASP H . . 4.910 4.268 2.981 4.924 0.014 4 0 "[ . 1 . 2]" 1
892 1 10 ASP HB2 1 11 ASP H . . 4.490 4.125 3.890 4.335 . 0 0 "[ . 1 . 2]" 1
893 1 10 ASP HB3 1 11 ASP H . . 4.490 3.197 2.755 4.352 . 0 0 "[ . 1 . 2]" 1
894 1 14 VAL HA 1 15 GLY H . . 3.120 2.121 2.062 2.160 . 0 0 "[ . 1 . 2]" 1
895 1 16 GLU HA 1 17 MET H . . 2.990 2.256 2.141 2.361 . 0 0 "[ . 1 . 2]" 1
896 1 18 GLU HA 1 19 THR H . . 2.930 2.303 2.115 2.438 . 0 0 "[ . 1 . 2]" 1
897 1 23 SER H 1 25 GLY H . . 4.670 4.043 3.886 4.165 . 0 0 "[ . 1 . 2]" 1
898 1 24 ASP HB3 1 25 GLY H . . 4.920 3.580 3.198 4.333 . 0 0 "[ . 1 . 2]" 1
899 1 24 ASP HB2 1 25 GLY H . . 4.920 3.929 3.214 4.260 . 0 0 "[ . 1 . 2]" 1
900 1 24 ASP H 1 24 ASP HB3 . . 3.790 2.898 2.302 3.712 . 0 0 "[ . 1 . 2]" 1
901 1 30 ILE H 1 31 VAL H . . 4.740 4.289 4.190 4.368 . 0 0 "[ . 1 . 2]" 1
902 1 31 VAL H 1 32 ASN H . . 4.380 4.327 4.238 4.392 0.012 14 0 "[ . 1 . 2]" 1
903 1 33 SER H 1 39 LYS H . . 4.630 3.831 3.258 4.250 . 0 0 "[ . 1 . 2]" 1
904 1 26 THR HA 1 27 GLU H . . 2.710 2.212 2.139 2.336 . 0 0 "[ . 1 . 2]" 1
905 1 21 GLU HA 1 27 GLU H . . 4.960 4.545 4.275 4.822 . 0 0 "[ . 1 . 2]" 1
906 1 27 GLU HB2 1 28 VAL H . . 4.240 4.030 3.003 4.323 0.083 15 0 "[ . 1 . 2]" 1
907 1 29 LEU H 1 29 LEU HB3 . . 3.730 2.487 2.312 2.779 . 0 0 "[ . 1 . 2]" 1
908 1 29 LEU HA 1 30 ILE H . . 2.960 2.168 2.110 2.231 . 0 0 "[ . 1 . 2]" 1
909 1 17 MET HA 1 30 ILE H . . 5.170 4.715 4.384 4.983 . 0 0 "[ . 1 . 2]" 1
910 1 31 VAL H 1 39 LYS H . . 4.060 3.182 2.928 3.427 . 0 0 "[ . 1 . 2]" 1
911 1 32 ASN H 1 39 LYS H . . 5.140 4.901 4.705 5.060 . 0 0 "[ . 1 . 2]" 1
912 1 31 VAL HA 1 32 ASN H . . 3.020 2.205 2.144 2.247 . 0 0 "[ . 1 . 2]" 1
913 1 32 ASN H 1 32 ASN HB2 . . 3.800 2.903 2.650 3.083 . 0 0 "[ . 1 . 2]" 1
914 1 32 ASN H 1 32 ASN HB3 . . 3.800 2.547 2.443 2.616 . 0 0 "[ . 1 . 2]" 1
915 1 31 VAL HB 1 32 ASN H . . 4.420 4.221 4.099 4.421 0.001 1 0 "[ . 1 . 2]" 1
916 1 33 SER H 1 38 VAL HA . . 3.800 2.612 2.196 3.090 . 0 0 "[ . 1 . 2]" 1
917 1 33 SER H 1 33 SER HB3 . . 3.660 3.332 2.359 3.648 . 0 0 "[ . 1 . 2]" 1
918 1 32 ASN HB2 1 33 SER H . . 4.810 4.437 4.343 4.548 . 0 0 "[ . 1 . 2]" 1
919 1 32 ASN HB3 1 33 SER H . . 4.810 4.383 4.321 4.436 . 0 0 "[ . 1 . 2]" 1
920 1 34 GLU H 1 36 HIS H . . 5.390 3.889 3.554 4.147 . 0 0 "[ . 1 . 2]" 1
921 1 36 HIS HB2 1 37 GLY H . . 4.780 3.893 3.144 4.421 . 0 0 "[ . 1 . 2]" 1
922 1 33 SER H 1 37 GLY H . . 4.240 3.858 3.274 4.258 0.018 2 0 "[ . 1 . 2]" 1
923 1 37 GLY HA2 1 38 VAL H . . 3.260 2.660 2.338 2.944 . 0 0 "[ . 1 . 2]" 1
924 1 40 ALA H 1 41 TYR H . . 4.990 4.192 4.065 4.415 . 0 0 "[ . 1 . 2]" 1
925 1 42 GLN H 1 87 ALA H . . 4.270 3.058 2.333 4.306 0.036 15 0 "[ . 1 . 2]" 1
926 1 42 GLN H 1 107 PRO HA . . 5.320 5.337 4.873 5.557 0.237 2 0 "[ . 1 . 2]" 1
927 1 28 VAL HA 1 41 TYR H . . 5.350 4.716 4.443 4.901 . 0 0 "[ . 1 . 2]" 1
928 1 54 GLU HB2 1 55 GLY H . . 5.280 3.934 3.345 4.520 . 0 0 "[ . 1 . 2]" 1
929 1 56 SER H 1 57 TYR H . . 4.520 3.348 1.474 4.255 . 0 0 "[ . 1 . 2]" 1
930 1 56 SER HA 1 57 TYR H . . 3.260 2.613 1.842 3.443 0.183 14 0 "[ . 1 . 2]" 1
931 1 60 GLY H 1 61 VAL HA . . 5.100 4.455 4.187 4.758 . 0 0 "[ . 1 . 2]" 1
932 1 60 GLY H 1 61 VAL HB . . 4.450 4.004 3.623 4.514 0.064 20 0 "[ . 1 . 2]" 1
933 1 58 GLU QB 1 60 GLY H . . 6.570 3.993 3.051 4.804 . 0 0 "[ . 1 . 2]" 1
934 1 58 GLU H 1 61 VAL H . . 4.090 3.225 2.929 3.587 . 0 0 "[ . 1 . 2]" 1
935 1 57 TYR HA 1 61 VAL H . . 4.920 4.694 3.996 5.038 0.118 5 0 "[ . 1 . 2]" 1
936 1 58 GLU QB 1 61 VAL H . . 6.460 3.370 1.986 5.141 . 0 0 "[ . 1 . 2]" 1
937 1 61 VAL H 1 62 ILE H . . 5.030 4.329 4.116 4.534 . 0 0 "[ . 1 . 2]" 1
938 1 71 PHE H 1 72 ASN H . . 5.060 4.345 4.232 4.537 . 0 0 "[ . 1 . 2]" 1
939 1 109 LYS H 1 109 LYS HB2 . . 3.580 2.690 2.241 3.398 . 0 0 "[ . 1 . 2]" 1
940 1 77 HIS HA 1 78 GLY H . . 2.900 2.277 2.126 2.411 . 0 0 "[ . 1 . 2]" 1
941 1 78 GLY H 1 85 CYS HA . . 3.620 2.776 2.087 3.691 0.071 19 0 "[ . 1 . 2]" 1
942 1 81 PRO HA 1 82 ASP H . . 3.160 2.521 2.148 3.324 0.164 6 0 "[ . 1 . 2]" 1
943 1 80 ASN HA 1 82 ASP H . . 3.620 3.231 2.275 3.717 0.097 6 0 "[ . 1 . 2]" 1
944 1 82 ASP H 1 84 CYS H . . 4.420 4.113 2.380 4.560 0.140 19 0 "[ . 1 . 2]" 1
945 1 81 PRO HA 1 83 ASP H . . 4.600 4.020 3.446 4.724 0.124 6 0 "[ . 1 . 2]" 1
946 1 82 ASP HB3 1 83 ASP H . . 4.810 3.634 2.631 4.297 . 0 0 "[ . 1 . 2]" 1
947 1 82 ASP HB2 1 83 ASP H . . 4.810 3.934 2.418 4.350 . 0 0 "[ . 1 . 2]" 1
948 1 83 ASP HA 1 84 CYS H . . 3.550 3.382 2.543 3.564 0.014 5 0 "[ . 1 . 2]" 1
949 1 84 CYS H 1 84 CYS HB2 . . 4.200 2.993 2.430 3.850 . 0 0 "[ . 1 . 2]" 1
950 1 84 CYS H 1 85 CYS H . . 4.240 4.086 2.094 4.382 0.142 12 0 "[ . 1 . 2]" 1
951 1 78 GLY H 1 84 CYS H . . 4.600 4.294 3.795 4.689 0.089 17 0 "[ . 1 . 2]" 1
952 1 77 HIS HA 1 85 CYS H . . 4.880 4.522 2.459 5.017 0.137 13 0 "[ . 1 . 2]" 1
953 1 86 LEU HB2 1 87 ALA H . . 4.350 3.404 1.919 4.407 0.057 3 0 "[ . 1 . 2]" 1
954 1 87 ALA H 1 88 GLU H . . 4.850 4.277 3.853 4.551 . 0 0 "[ . 1 . 2]" 1
955 1 40 ALA H 1 89 TYR H . . 4.450 3.595 3.230 4.086 . 0 0 "[ . 1 . 2]" 1
956 1 90 PRO HA 1 91 VAL H . . 2.710 2.127 2.038 2.213 . 0 0 "[ . 1 . 2]" 1
957 1 91 VAL HB 1 92 GLU H . . 4.010 4.009 3.845 4.059 0.049 20 0 "[ . 1 . 2]" 1
958 1 92 GLU H 1 98 ILE HA . . 5.280 4.681 4.461 5.065 . 0 0 "[ . 1 . 2]" 1
959 1 91 VAL H 1 92 GLU H . . 5.320 4.321 4.173 4.439 . 0 0 "[ . 1 . 2]" 1
960 1 93 VAL HA 1 94 LYS H . . 2.740 2.120 2.065 2.179 . 0 0 "[ . 1 . 2]" 1
961 1 97 ASP HA 1 98 ILE H . . 2.960 2.188 2.036 2.398 . 0 0 "[ . 1 . 2]" 1
962 1 8 SER HA 1 98 ILE H . . 3.390 2.734 2.130 3.117 . 0 0 "[ . 1 . 2]" 1
963 1 92 GLU H 1 99 TYR H . . 3.980 3.170 2.964 3.430 . 0 0 "[ . 1 . 2]" 1
964 1 98 ILE H 1 99 TYR H . . 5.030 4.227 4.061 4.366 . 0 0 "[ . 1 . 2]" 1
965 1 99 TYR H 1 99 TYR HB2 . . 3.760 2.611 2.344 3.831 0.071 4 0 "[ . 1 . 2]" 1
966 1 98 ILE HB 1 99 TYR H . . 4.420 4.263 4.159 4.370 . 0 0 "[ . 1 . 2]" 1
967 1 101 SER H 1 102 THR H . . 5.030 4.293 4.118 4.524 . 0 0 "[ . 1 . 2]" 1
968 1 100 VAL H 1 101 SER H . . 4.880 4.315 4.217 4.460 . 0 0 "[ . 1 . 2]" 1
969 1 102 THR H 1 103 LYS HB3 . . 4.670 4.268 3.875 4.674 0.004 10 0 "[ . 1 . 2]" 1
970 1 101 SER HB3 1 102 THR H . . 4.670 4.120 3.555 4.303 . 0 0 "[ . 1 . 2]" 1
971 1 101 SER HB2 1 102 THR H . . 4.670 4.313 4.094 4.494 . 0 0 "[ . 1 . 2]" 1
972 1 101 SER HA 1 103 LYS H . . 3.770 3.464 3.060 3.808 0.038 7 0 "[ . 1 . 2]" 1
973 1 103 LYS HA 1 104 GLY H . . 3.080 2.188 2.082 3.324 0.244 10 0 "[ . 1 . 2]" 1
974 1 107 PRO HB2 1 108 ASN H . . 3.950 3.527 3.023 3.880 . 0 0 "[ . 1 . 2]" 1
975 1 19 THR HA 1 30 ILE H . . 4.240 2.993 2.595 3.536 . 0 0 "[ . 1 . 2]" 1
976 1 35 GLU HB3 1 36 HIS H . . 4.200 3.143 2.460 4.025 . 0 0 "[ . 1 . 2]" 1
977 1 22 THR HA 1 23 SER H . . 3.050 2.534 2.399 2.645 . 0 0 "[ . 1 . 2]" 1
978 1 24 ASP H 1 25 GLY H . . 3.190 2.321 2.202 2.417 . 0 0 "[ . 1 . 2]" 1
979 1 22 THR H 1 26 THR H . . 4.160 2.845 2.667 3.331 . 0 0 "[ . 1 . 2]" 1
980 1 25 GLY H 1 26 THR H . . 3.480 2.279 2.158 2.489 . 0 0 "[ . 1 . 2]" 1
981 1 26 THR HB 1 27 GLU H . . 4.240 4.159 4.029 4.266 0.026 14 0 "[ . 1 . 2]" 1
982 1 52 LEU H 1 53 SER H . . 5.100 2.627 2.211 2.912 . 0 0 "[ . 1 . 2]" 1
983 1 52 LEU HB2 1 53 SER H . . 4.740 3.752 2.728 4.249 . 0 0 "[ . 1 . 2]" 1
984 1 52 LEU HB3 1 53 SER H . . 4.740 3.650 2.616 4.394 . 0 0 "[ . 1 . 2]" 1
985 1 15 GLY H 1 32 ASN H . . 4.960 4.162 3.909 4.440 . 0 0 "[ . 1 . 2]" 1
986 1 14 VAL H 1 15 GLY H . . 4.560 4.468 4.351 4.563 0.003 17 0 "[ . 1 . 2]" 1
987 1 42 GLN H 1 88 GLU HA . . 5.060 4.507 3.666 5.085 0.025 20 0 "[ . 1 . 2]" 1
988 1 41 TYR H 1 42 GLN H . . 4.700 4.404 4.293 4.476 . 0 0 "[ . 1 . 2]" 1
989 1 72 ASN H 1 78 GLY HA3 . . 4.810 3.990 2.136 4.877 0.067 17 0 "[ . 1 . 2]" 1
990 1 72 ASN H 1 78 GLY HA2 . . 4.810 2.721 1.805 4.319 . 0 0 "[ . 1 . 2]" 1
991 1 71 PHE HA 1 79 ILE H . . 4.310 2.589 1.749 4.294 . 0 0 "[ . 1 . 2]" 1
992 1 62 ILE H 1 62 ILE HB . . 3.670 2.691 2.380 3.718 0.048 12 0 "[ . 1 . 2]" 1
993 1 73 ASP HA 1 76 GLY H . . 4.310 3.644 3.134 4.522 0.212 17 0 "[ . 1 . 2]" 1
994 1 77 HIS HA 1 86 LEU H . . 4.310 3.465 2.570 4.365 0.055 15 0 "[ . 1 . 2]" 1
995 1 62 ILE H 1 73 ASP H . . 5.140 3.990 3.340 5.150 0.010 15 0 "[ . 1 . 2]" 1
996 1 96 ASP H 1 96 ASP HB3 . . 3.980 3.604 2.543 4.099 0.119 2 0 "[ . 1 . 2]" 1
997 1 7 CYS HB2 1 8 SER H . . 3.210 2.497 1.740 3.273 0.063 5 0 "[ . 1 . 2]" 1
998 1 102 THR H 1 102 THR HB . . 4.070 3.185 2.527 3.837 . 0 0 "[ . 1 . 2]" 1
999 1 101 SER H 1 101 SER HB3 . . 3.830 2.770 2.454 3.737 . 0 0 "[ . 1 . 2]" 1
1000 1 108 ASN HB3 1 109 LYS H . . 3.860 3.145 1.962 4.038 0.178 2 0 "[ . 1 . 2]" 1
1001 1 108 ASN HB2 1 109 LYS H . . 3.860 3.706 3.237 4.042 0.182 7 0 "[ . 1 . 2]" 1
1002 1 29 LEU H 1 43 ALA H . . 4.490 3.534 3.222 3.823 . 0 0 "[ . 1 . 2]" 1
1003 1 52 LEU H 1 52 LEU HB3 . . 4.200 2.773 2.214 3.689 . 0 0 "[ . 1 . 2]" 1
1004 1 12 ILE H 1 13 TRP H . . 5.240 4.180 4.060 4.390 . 0 0 "[ . 1 . 2]" 1
1005 1 31 VAL H 1 41 TYR H . . 4.810 4.539 4.298 4.787 . 0 0 "[ . 1 . 2]" 1
1006 1 58 GLU H 1 63 THR H . . 4.700 4.425 3.920 4.728 0.028 1 0 "[ . 1 . 2]" 1
1007 1 54 GLU HB3 1 55 GLY H . . 5.280 4.146 3.436 4.559 . 0 0 "[ . 1 . 2]" 1
1008 1 78 GLY H 1 85 CYS H . . 4.520 4.503 3.569 4.736 0.216 5 0 "[ . 1 . 2]" 1
1009 1 92 GLU H 1 101 SER H . . 5.060 4.967 4.555 5.132 0.072 6 0 "[ . 1 . 2]" 1
1010 1 63 THR HA 1 71 PHE H . . 6.000 4.150 3.077 5.289 . 0 0 "[ . 1 . 2]" 1
1011 1 5 LYS HA 1 100 VAL H . . 4.240 3.659 3.241 4.188 . 0 0 "[ . 1 . 2]" 1
1012 1 5 LYS HB3 1 6 ILE H . . 4.170 4.162 4.004 4.255 0.085 3 0 "[ . 1 . 2]" 1
1013 1 9 LEU H 1 97 ASP HA . . 3.700 3.293 1.771 3.746 0.046 9 0 "[ . 1 . 2]" 1
1014 1 8 SER HA 1 97 ASP H . . 4.670 4.692 4.257 4.772 0.102 2 0 "[ . 1 . 2]" 1
1015 1 22 THR HB 1 26 THR H . . 4.810 4.016 3.921 4.336 . 0 0 "[ . 1 . 2]" 1
1016 1 3 PHE HA 1 101 SER H . . 4.170 3.852 3.402 4.165 . 0 0 "[ . 1 . 2]" 1
1017 1 41 TYR HA 1 88 GLU H . . 5.060 4.878 4.470 5.088 0.028 8 0 "[ . 1 . 2]" 1
1018 1 21 GLU H 1 21 GLU HG3 . . 5.500 4.531 3.723 4.682 . 0 0 "[ . 1 . 2]" 1
1019 1 21 GLU HG2 1 22 THR H . . 5.500 2.923 2.559 4.254 . 0 0 "[ . 1 . 2]" 1
1020 1 58 GLU QG 1 59 GLY H . . 6.390 3.901 3.038 4.892 . 0 0 "[ . 1 . 2]" 1
1021 1 77 HIS H 1 77 HIS HD2 . . 5.060 4.306 1.942 5.151 0.091 4 0 "[ . 1 . 2]" 1
1022 1 92 GLU QG 1 93 VAL H . . 6.890 3.421 2.436 4.740 . 0 0 "[ . 1 . 2]" 1
1023 1 103 LYS HG3 1 104 GLY H . . 5.500 3.592 2.851 4.890 . 0 0 "[ . 1 . 2]" 1
1024 1 105 ILE H 1 105 ILE HG12 . . 4.670 3.687 2.354 4.499 . 0 0 "[ . 1 . 2]" 1
1025 1 105 ILE H 1 105 ILE HG13 . . 4.670 3.242 2.494 4.572 . 0 0 "[ . 1 . 2]" 1
1026 1 5 LYS H 1 99 TYR QD . . 7.360 3.518 2.745 5.860 . 0 0 "[ . 1 . 2]" 1
1027 1 16 GLU H 1 32 ASN HB2 . . 5.390 4.952 4.193 5.395 0.005 7 0 "[ . 1 . 2]" 1
1028 1 109 LYS H 1 109 LYS QD . . 6.200 4.069 1.859 5.097 . 0 0 "[ . 1 . 2]" 1
1029 1 39 LYS QD 1 40 ALA H . . 6.890 3.921 2.477 5.599 . 0 0 "[ . 1 . 2]" 1
1030 1 86 LEU H 1 86 LEU HG . . 4.260 3.285 1.983 4.392 0.132 7 0 "[ . 1 . 2]" 1
1031 1 57 TYR QD 1 58 GLU H . . 6.820 3.721 2.631 4.121 . 0 0 "[ . 1 . 2]" 1
1032 1 9 LEU HB2 1 96 ASP H . . 6.000 5.002 3.256 6.058 0.058 17 0 "[ . 1 . 2]" 1
1033 1 97 ASP H 1 99 TYR QD . . 8.150 6.038 5.362 7.703 . 0 0 "[ . 1 . 2]" 1
1034 1 13 TRP H 1 13 TRP HD1 . . 6.000 2.329 1.966 2.621 . 0 0 "[ . 1 . 2]" 1
1035 1 16 GLU H 1 57 TYR QD . . 8.150 6.343 4.438 7.696 . 0 0 "[ . 1 . 2]" 1
1036 1 16 GLU H 1 32 ASN HB3 . . 5.390 3.304 2.633 3.747 . 0 0 "[ . 1 . 2]" 1
1037 1 56 SER H 1 63 THR HB . . 5.000 3.666 2.081 5.058 0.058 7 0 "[ . 1 . 2]" 1
1038 1 39 LYS H 1 39 LYS HG3 . . 5.500 4.063 2.917 4.669 . 0 0 "[ . 1 . 2]" 1
1039 1 39 LYS H 1 39 LYS QD . . 5.300 4.205 2.685 4.898 . 0 0 "[ . 1 . 2]" 1
1040 1 9 LEU H 1 96 ASP HB2 . . 5.500 4.833 4.171 5.513 0.013 18 0 "[ . 1 . 2]" 1
1041 1 3 PHE HB3 1 100 VAL H . . 6.000 4.136 3.520 4.504 . 0 0 "[ . 1 . 2]" 1
1042 1 4 GLU QB 1 100 VAL H . . 6.890 3.898 3.388 4.748 . 0 0 "[ . 1 . 2]" 1
1043 1 5 LYS QG 1 6 ILE H . . 6.140 2.981 2.494 3.535 . 0 0 "[ . 1 . 2]" 1
1044 1 7 CYS H 1 98 ILE HB . . 4.600 3.192 2.792 3.655 . 0 0 "[ . 1 . 2]" 1
1045 1 6 ILE HG13 1 7 CYS H . . 5.440 3.988 3.579 4.783 . 0 0 "[ . 1 . 2]" 1
1046 1 5 LYS QG 1 7 CYS H . . 5.990 3.235 2.481 4.308 . 0 0 "[ . 1 . 2]" 1
1047 1 18 GLU H 1 30 ILE HG12 . . 6.000 5.737 4.966 6.071 0.071 10 0 "[ . 1 . 2]" 1
1048 1 20 PHE QD 1 21 GLU H . . 7.930 3.696 3.188 4.078 . 0 0 "[ . 1 . 2]" 1
1049 1 27 GLU HG2 1 28 VAL H . . 6.000 4.603 3.193 5.504 . 0 0 "[ . 1 . 2]" 1
1050 1 29 LEU H 1 41 TYR QE . . 8.150 6.315 4.574 7.921 . 0 0 "[ . 1 . 2]" 1
1051 1 20 PHE QD 1 30 ILE H . . 8.150 3.396 2.869 4.055 . 0 0 "[ . 1 . 2]" 1
1052 1 12 ILE HB 1 32 ASN H . . 6.000 4.862 3.312 6.097 0.097 13 0 "[ . 1 . 2]" 1
1053 1 12 ILE HG12 1 32 ASN H . . 5.500 4.745 3.888 5.558 0.058 2 0 "[ . 1 . 2]" 1
1054 1 36 HIS H 1 36 HIS HD2 . . 6.000 4.316 2.481 5.348 . 0 0 "[ . 1 . 2]" 1
1055 1 35 GLU H 1 35 GLU HG2 . . 5.280 4.025 2.955 4.591 . 0 0 "[ . 1 . 2]" 1
1056 1 42 GLN H 1 89 TYR QD . . 8.150 4.141 3.393 5.707 . 0 0 "[ . 1 . 2]" 1
1057 1 41 TYR H 1 89 TYR QD . . 8.150 4.399 3.625 6.369 . 0 0 "[ . 1 . 2]" 1
1058 1 57 TYR QD 1 60 GLY H . . 8.150 5.225 4.302 6.355 . 0 0 "[ . 1 . 2]" 1
1059 1 57 TYR QD 1 61 VAL H . . 8.150 4.736 3.130 5.700 . 0 0 "[ . 1 . 2]" 1
1060 1 62 ILE HG13 1 73 ASP H . . 6.000 4.388 3.138 6.089 0.089 7 0 "[ . 1 . 2]" 1
1061 1 62 ILE HG12 1 73 ASP H . . 6.000 4.200 2.382 5.990 . 0 0 "[ . 1 . 2]" 1
1062 1 87 ALA H 1 108 ASN HB2 . . 6.000 4.057 2.251 6.059 0.059 17 0 "[ . 1 . 2]" 1
1063 1 5 LYS QG 1 98 ILE H . . 6.390 3.186 2.470 5.465 . 0 0 "[ . 1 . 2]" 1
1064 1 92 GLU QG 1 99 TYR H . . 6.890 4.749 4.353 5.853 . 0 0 "[ . 1 . 2]" 1
1065 1 92 GLU HB2 1 99 TYR H . . 5.960 4.185 2.832 5.120 . 0 0 "[ . 1 . 2]" 1
1066 1 90 PRO HD2 1 101 SER H . . 5.500 3.526 2.948 4.163 . 0 0 "[ . 1 . 2]" 1
1067 1 89 TYR QD 1 102 THR H . . 8.150 4.919 3.924 5.647 . 0 0 "[ . 1 . 2]" 1
1068 1 107 PRO HG3 1 108 ASN H . . 5.500 5.295 4.796 5.589 0.089 15 0 "[ . 1 . 2]" 1
1069 1 21 GLU HG3 1 25 GLY H . . 6.000 4.344 3.944 5.837 . 0 0 "[ . 1 . 2]" 1
1070 1 21 GLU HG2 1 25 GLY H . . 6.000 3.525 3.032 5.380 . 0 0 "[ . 1 . 2]" 1
1071 1 108 ASN H 1 108 ASN HD21 . . 6.000 3.812 2.425 4.682 . 0 0 "[ . 1 . 2]" 1
1072 1 57 TYR QE 1 58 GLU H . . 8.150 4.931 4.355 5.391 . 0 0 "[ . 1 . 2]" 1
1073 1 57 TYR QE 1 60 GLY H . . 8.150 4.652 3.565 5.886 . 0 0 "[ . 1 . 2]" 1
1074 1 57 TYR QE 1 61 VAL H . . 8.150 4.671 2.915 5.763 . 0 0 "[ . 1 . 2]" 1
1075 1 16 GLU H 1 57 TYR QE . . 8.150 6.586 5.019 8.156 0.006 17 0 "[ . 1 . 2]" 1
1076 1 15 GLY H 1 57 TYR QE . . 8.150 5.579 3.727 7.127 . 0 0 "[ . 1 . 2]" 1
1077 1 15 GLY H 1 32 ASN HD21 . . 6.000 4.717 3.175 5.610 . 0 0 "[ . 1 . 2]" 1
1078 1 15 GLY H 1 32 ASN HD22 . . 6.000 5.243 4.442 5.830 . 0 0 "[ . 1 . 2]" 1
1079 1 14 VAL H 1 32 ASN HD22 . . 6.000 3.970 3.384 5.525 . 0 0 "[ . 1 . 2]" 1
1080 1 14 VAL H 1 32 ASN HD21 . . 6.000 3.659 2.879 5.451 . 0 0 "[ . 1 . 2]" 1
1081 1 13 TRP HD1 1 14 VAL H . . 5.640 5.527 5.256 5.667 0.027 14 0 "[ . 1 . 2]" 1
1082 1 17 MET H 1 57 TYR QD . . 8.150 6.385 4.828 7.585 . 0 0 "[ . 1 . 2]" 1
1083 1 18 GLU H 1 20 PHE QD . . 8.150 4.654 4.190 5.280 . 0 0 "[ . 1 . 2]" 1
1084 1 42 GLN HE21 1 108 ASN H . . 5.750 3.910 2.109 5.037 . 0 0 "[ . 1 . 2]" 1
1085 1 86 LEU HA 1 108 ASN HD22 . . 6.000 5.090 3.805 6.019 0.019 1 0 "[ . 1 . 2]" 1
1086 1 87 ALA HA 1 108 ASN HD21 . . 6.000 3.350 2.205 4.826 . 0 0 "[ . 1 . 2]" 1
1087 1 108 ASN H 1 108 ASN HD22 . . 6.000 4.792 3.243 5.828 . 0 0 "[ . 1 . 2]" 1
1088 1 41 TYR QE 1 42 GLN H . . 8.150 6.143 5.599 6.699 . 0 0 "[ . 1 . 2]" 1
1089 1 87 ALA H 1 108 ASN HD21 . . 6.000 3.909 2.352 4.698 . 0 0 "[ . 1 . 2]" 1
1090 1 87 ALA H 1 108 ASN HD22 . . 6.000 4.913 2.598 6.130 0.130 2 0 "[ . 1 . 2]" 1
1091 1 42 GLN HE22 1 108 ASN H . . 5.750 4.013 1.904 5.846 0.096 5 0 "[ . 1 . 2]" 1
1092 1 72 ASN H 1 77 HIS QB . . 6.890 5.152 3.932 6.502 . 0 0 "[ . 1 . 2]" 1
1093 1 71 PHE QD 1 72 ASN H . . 8.150 3.257 2.566 4.257 . 0 0 "[ . 1 . 2]" 1
1094 1 62 ILE H 1 70 THR HB . . 6.000 5.168 3.066 6.083 0.083 4 0 "[ . 1 . 2]" 1
1095 1 62 ILE H 1 71 PHE QB . . 6.890 3.539 1.823 5.684 . 0 0 "[ . 1 . 2]" 1
1096 1 10 ASP HA 1 13 TRP HE1 . . 4.380 3.860 2.889 4.424 0.044 8 0 "[ . 1 . 2]" 1
1097 1 9 LEU HB3 1 96 ASP H . . 6.000 4.896 2.484 6.001 0.001 1 0 "[ . 1 . 2]" 1
1098 1 103 LYS H 1 103 LYS QE . . 6.890 5.467 4.103 6.306 . 0 0 "[ . 1 . 2]" 1
1099 1 62 ILE HB 1 71 PHE H . . 6.000 3.997 2.596 5.946 . 0 0 "[ . 1 . 2]" 1
1100 1 6 ILE H 1 99 TYR QD . . 8.150 4.809 4.237 5.879 . 0 0 "[ . 1 . 2]" 1
1101 1 19 THR H 1 53 SER HB2 . . 5.500 2.162 1.839 2.532 . 0 0 "[ . 1 . 2]" 1
1102 1 18 GLU H 1 30 ILE HG13 . . 6.000 5.716 4.803 6.089 0.089 9 0 "[ . 1 . 2]" 1
1103 1 6 ILE H 1 6 ILE HG12 . . 4.820 4.558 2.607 4.892 0.072 2 0 "[ . 1 . 2]" 1
1104 1 6 ILE HG12 1 7 CYS H . . 5.440 4.554 3.561 4.984 . 0 0 "[ . 1 . 2]" 1
1105 1 3 PHE HB2 1 100 VAL H . . 6.000 5.608 5.125 5.925 . 0 0 "[ . 1 . 2]" 1
1106 1 9 LEU H 1 96 ASP HB3 . . 5.500 4.032 3.131 5.406 . 0 0 "[ . 1 . 2]" 1
1107 1 32 ASN H 1 57 TYR QE . . 8.150 6.293 4.700 7.628 . 0 0 "[ . 1 . 2]" 1
1108 1 57 TYR QD 1 62 ILE H . . 8.150 5.212 3.678 6.708 . 0 0 "[ . 1 . 2]" 1
1109 1 57 TYR QE 1 73 ASP H . . 8.150 5.931 4.130 8.181 0.031 19 0 "[ . 1 . 2]" 1
1110 1 71 PHE QD 1 76 GLY H . . 8.150 5.463 3.951 7.285 . 0 0 "[ . 1 . 2]" 1
1111 1 71 PHE QE 1 76 GLY H . . 8.150 4.924 3.797 7.324 . 0 0 "[ . 1 . 2]" 1
1112 1 77 HIS HD2 1 78 GLY H . . 6.000 4.180 2.259 6.038 0.038 5 0 "[ . 1 . 2]" 1
1113 1 34 GLU H 1 57 TYR QE . . 8.150 4.981 1.719 7.028 . 0 0 "[ . 1 . 2]" 1
1114 1 3 PHE QE 1 92 GLU H . . 8.150 3.928 2.902 5.071 . 0 0 "[ . 1 . 2]" 1
1115 1 3 PHE QD 1 100 VAL H . . 8.150 3.991 3.240 4.581 . 0 0 "[ . 1 . 2]" 1
1116 1 3 PHE QD 1 92 GLU H . . 8.150 3.585 2.756 4.724 . 0 0 "[ . 1 . 2]" 1
1117 1 3 PHE QE 1 101 SER H . . 8.150 3.840 3.386 4.505 . 0 0 "[ . 1 . 2]" 1
1118 1 94 LYS HD3 1 99 TYR H . . 6.000 4.001 3.056 6.074 0.074 18 0 "[ . 1 . 2]" 1
1119 1 94 LYS HD2 1 99 TYR H . . 6.000 3.963 2.467 6.020 0.020 18 0 "[ . 1 . 2]" 1
1120 1 39 LYS QE 1 40 ALA H . . 6.390 4.956 2.196 6.242 . 0 0 "[ . 1 . 2]" 1
1121 1 21 GLU H 1 21 GLU HG2 . . 5.500 4.273 2.936 4.507 . 0 0 "[ . 1 . 2]" 1
1122 1 72 ASN H 1 79 ILE HB . . 6.000 5.227 4.012 6.072 0.072 7 0 "[ . 1 . 2]" 1
1123 1 71 PHE QE 1 88 GLU H . . 8.150 7.607 5.197 8.331 0.181 17 0 "[ . 1 . 2]" 1
1124 1 28 VAL HB 1 43 ALA H . . 6.000 5.466 4.811 6.052 0.052 10 0 "[ . 1 . 2]" 1
1125 1 70 THR HG1 1 71 PHE H . . 6.000 4.698 4.034 5.362 . 0 0 "[ . 1 . 2]" 1
1126 1 70 THR HG1 1 79 ILE H . . 6.000 4.907 3.725 6.010 0.010 17 0 "[ . 1 . 2]" 1
1127 1 70 THR HG1 1 80 ASN H . . 5.600 4.394 2.793 5.672 0.072 17 0 "[ . 1 . 2]" 1
1128 1 87 ALA H 1 108 ASN HB3 . . 6.000 4.539 2.463 6.052 0.052 5 0 "[ . 1 . 2]" 1
1129 1 60 GLY H 1 61 VAL QG . . 8.090 3.221 2.742 4.167 . 0 0 "[ . 1 . 2]" 1
1130 1 105 ILE MD 1 106 LEU H . . 5.620 4.782 3.554 5.393 . 0 0 "[ . 1 . 2]" 1
1131 1 61 VAL QG 1 62 ILE H . . 7.090 2.564 2.231 2.860 . 0 0 "[ . 1 . 2]" 1
1132 1 62 ILE MG 1 63 THR H . . 5.380 2.715 2.366 3.892 . 0 0 "[ . 1 . 2]" 1
1133 1 102 THR MG 1 103 LYS H . . 6.780 3.752 2.770 4.348 . 0 0 "[ . 1 . 2]" 1
1134 1 12 ILE MD 1 13 TRP H . . 5.440 3.667 2.167 5.239 . 0 0 "[ . 1 . 2]" 1
1135 1 22 THR H 1 26 THR MG . . 6.920 4.426 4.277 4.571 . 0 0 "[ . 1 . 2]" 1
1136 1 29 LEU H 1 43 ALA MB . . 5.380 2.672 1.839 3.594 . 0 0 "[ . 1 . 2]" 1
1137 1 22 THR H 1 22 THR MG . . 4.110 2.167 2.071 2.249 . 0 0 "[ . 1 . 2]" 1
1138 1 92 GLU H 1 98 ILE MG . . 7.030 3.578 3.131 4.075 . 0 0 "[ . 1 . 2]" 1
1139 1 42 GLN H 1 87 ALA MB . . 6.450 3.442 2.295 4.510 . 0 0 "[ . 1 . 2]" 1
1140 1 72 ASN HD21 1 79 ILE MD . . 7.030 3.786 2.252 5.742 . 0 0 "[ . 1 . 2]" 1
1141 1 72 ASN HD22 1 79 ILE MD . . 7.030 4.813 3.481 7.092 0.062 5 0 "[ . 1 . 2]" 1
1142 1 12 ILE MD 1 16 GLU H . . 6.850 4.400 3.281 6.271 . 0 0 "[ . 1 . 2]" 1
1143 1 9 LEU MD2 1 97 ASP H . . 6.850 5.825 3.509 6.781 . 0 0 "[ . 1 . 2]" 1
1144 1 9 LEU MD1 1 97 ASP H . . 6.850 5.457 3.573 6.888 0.038 15 0 "[ . 1 . 2]" 1
1145 1 32 ASN HD22 1 38 VAL QG . . 8.090 4.142 2.719 5.403 . 0 0 "[ . 1 . 2]" 1
1146 1 62 ILE H 1 62 ILE MD . . 5.690 3.496 1.748 4.179 . 0 0 "[ . 1 . 2]" 1
1147 1 9 LEU H 1 9 LEU MD2 . . 5.470 4.180 3.654 4.330 . 0 0 "[ . 1 . 2]" 1
1148 1 19 THR MG 1 20 PHE H . . 4.570 2.991 2.520 3.861 . 0 0 "[ . 1 . 2]" 1
1149 1 6 ILE H 1 6 ILE MD . . 5.340 4.250 3.579 4.660 . 0 0 "[ . 1 . 2]" 1
1150 1 8 SER H 1 98 ILE MG . . 7.030 5.719 5.048 6.296 . 0 0 "[ . 1 . 2]" 1
1151 1 9 LEU MD1 1 10 ASP H . . 7.030 4.633 3.383 5.002 . 0 0 "[ . 1 . 2]" 1
1152 1 9 LEU H 1 98 ILE MD . . 6.810 3.535 2.862 4.057 . 0 0 "[ . 1 . 2]" 1
1153 1 14 VAL MG1 1 15 GLY H . . 5.910 3.635 2.728 4.238 . 0 0 "[ . 1 . 2]" 1
1154 1 12 ILE MD 1 17 MET H . . 7.030 4.522 3.545 6.127 . 0 0 "[ . 1 . 2]" 1
1155 1 6 ILE MD 1 23 SER H . . 7.030 4.650 3.700 5.855 . 0 0 "[ . 1 . 2]" 1
1156 1 27 GLU H 1 43 ALA MB . . 5.940 4.775 4.230 5.651 . 0 0 "[ . 1 . 2]" 1
1157 1 26 THR MG 1 28 VAL H . . 5.700 4.422 4.177 4.610 . 0 0 "[ . 1 . 2]" 1
1158 1 30 ILE H 1 30 ILE MD . . 5.660 3.049 2.130 4.268 . 0 0 "[ . 1 . 2]" 1
1159 1 30 ILE MG 1 31 VAL H . . 4.640 3.036 2.736 4.153 . 0 0 "[ . 1 . 2]" 1
1160 1 31 VAL MG1 1 32 ASN H . . 5.950 3.209 2.703 4.107 . 0 0 "[ . 1 . 2]" 1
1161 1 32 ASN HD21 1 38 VAL QG . . 8.090 4.170 2.692 5.405 . 0 0 "[ . 1 . 2]" 1
1162 1 31 VAL MG1 1 33 SER H . . 6.630 3.498 3.181 3.936 . 0 0 "[ . 1 . 2]" 1
1163 1 31 VAL MG2 1 33 SER H . . 6.630 5.035 3.039 5.852 . 0 0 "[ . 1 . 2]" 1
1164 1 30 ILE MD 1 40 ALA H . . 6.530 5.454 3.871 6.546 0.016 19 0 "[ . 1 . 2]" 1
1165 1 42 GLN H 1 86 LEU MD2 . . 7.030 4.209 3.161 5.770 . 0 0 "[ . 1 . 2]" 1
1166 1 42 GLN H 1 86 LEU MD1 . . 7.030 4.329 2.315 5.910 . 0 0 "[ . 1 . 2]" 1
1167 1 58 GLU H 1 61 VAL QG . . 8.090 4.013 3.709 4.274 . 0 0 "[ . 1 . 2]" 1
1168 1 61 VAL QG 1 71 PHE H . . 8.090 2.918 1.815 4.640 . 0 0 "[ . 1 . 2]" 1
1169 1 62 ILE MG 1 71 PHE H . . 7.030 4.661 3.182 5.853 . 0 0 "[ . 1 . 2]" 1
1170 1 70 THR MG 1 71 PHE H . . 5.880 3.566 1.879 3.928 . 0 0 "[ . 1 . 2]" 1
1171 1 72 ASN H 1 79 ILE MD . . 5.880 3.455 2.620 4.690 . 0 0 "[ . 1 . 2]" 1
1172 1 109 LYS H 1 110 ALA MB . . 7.030 4.843 4.297 5.781 . 0 0 "[ . 1 . 2]" 1
1173 1 74 GLY H 1 75 THR MG . . 7.030 5.827 4.073 6.398 . 0 0 "[ . 1 . 2]" 1
1174 1 87 ALA MB 1 88 GLU H . . 4.390 3.146 2.607 3.601 . 0 0 "[ . 1 . 2]" 1
1175 1 86 LEU MD1 1 87 ALA H . . 6.530 4.081 1.906 5.393 . 0 0 "[ . 1 . 2]" 1
1176 1 40 ALA MB 1 89 TYR H . . 5.570 3.151 2.635 3.625 . 0 0 "[ . 1 . 2]" 1
1177 1 89 TYR H 1 105 ILE MD . . 5.540 5.176 4.159 5.622 0.082 17 0 "[ . 1 . 2]" 1
1178 1 89 TYR H 1 100 VAL QG . . 8.090 4.868 3.846 6.064 . 0 0 "[ . 1 . 2]" 1
1179 1 89 TYR H 1 105 ILE MG . . 7.030 4.821 4.001 5.529 . 0 0 "[ . 1 . 2]" 1
1180 1 91 VAL MG2 1 92 GLU H . . 5.260 3.250 2.304 4.110 . 0 0 "[ . 1 . 2]" 1
1181 1 94 LYS H 1 98 ILE MD . . 7.030 4.810 2.688 5.464 . 0 0 "[ . 1 . 2]" 1
1182 1 93 VAL MG2 1 94 LYS H . . 4.880 3.111 2.549 4.213 . 0 0 "[ . 1 . 2]" 1
1183 1 9 LEU MD2 1 96 ASP H . . 7.030 5.468 1.807 7.044 0.014 15 0 "[ . 1 . 2]" 1
1184 1 9 LEU MD1 1 96 ASP H . . 7.030 5.287 2.727 6.858 . 0 0 "[ . 1 . 2]" 1
1185 1 98 ILE MG 1 99 TYR H . . 5.440 2.770 2.482 3.053 . 0 0 "[ . 1 . 2]" 1
1186 1 102 THR MG 1 105 ILE H . . 7.030 5.140 3.710 5.901 . 0 0 "[ . 1 . 2]" 1
1187 1 105 ILE H 1 105 ILE MD . . 5.810 3.687 2.182 4.512 . 0 0 "[ . 1 . 2]" 1
1188 1 75 THR MG 1 76 GLY H . . 7.030 3.749 3.369 4.301 . 0 0 "[ . 1 . 2]" 1
1189 1 22 THR MG 1 26 THR H . . 7.030 3.403 3.305 3.658 . 0 0 "[ . 1 . 2]" 1
1190 1 87 ALA MB 1 108 ASN HD21 . . 5.320 3.017 1.663 4.296 . 0 0 "[ . 1 . 2]" 1
1191 1 102 THR H 1 105 ILE MD . . 7.030 5.648 3.985 7.044 0.014 8 0 "[ . 1 . 2]" 1
1192 1 20 PHE H 1 28 VAL MG2 . . 7.030 4.813 4.542 5.031 . 0 0 "[ . 1 . 2]" 1
1193 1 20 PHE H 1 28 VAL MG1 . . 7.030 4.462 4.270 4.597 . 0 0 "[ . 1 . 2]" 1
1194 1 28 VAL MG2 1 29 LEU H . . 5.160 3.981 3.844 4.112 . 0 0 "[ . 1 . 2]" 1
1195 1 17 MET ME 1 57 TYR H . . 5.010 2.935 1.817 5.022 0.012 7 0 "[ . 1 . 2]" 1
1196 1 17 MET ME 1 55 GLY H . . 4.670 3.131 2.650 3.823 . 0 0 "[ . 1 . 2]" 1
1197 1 17 MET ME 1 54 GLU H . . 7.030 4.489 4.071 5.217 . 0 0 "[ . 1 . 2]" 1
1198 1 17 MET H 1 17 MET ME . . 4.670 4.333 3.695 4.741 0.071 7 0 "[ . 1 . 2]" 1
1199 1 26 THR MG 1 43 ALA H . . 7.030 4.492 3.813 5.127 . 0 0 "[ . 1 . 2]" 1
1200 1 28 VAL MG1 1 43 ALA H . . 7.030 4.227 3.897 4.582 . 0 0 "[ . 1 . 2]" 1
1201 1 28 VAL MG2 1 43 ALA H . . 7.030 3.957 3.397 4.419 . 0 0 "[ . 1 . 2]" 1
1202 1 3 PHE HA 1 101 SER QB . . 4.920 3.065 2.269 4.073 . 0 0 "[ . 1 . 2]" 1
1203 1 3 PHE QB 1 99 TYR QB . . 5.610 2.083 1.789 3.260 . 0 0 "[ . 1 . 2]" 1
1204 1 3 PHE HB2 1 99 TYR HB3 . . 6.810 3.882 2.967 6.366 . 0 0 "[ . 1 . 2]" 1
1205 1 3 PHE HB3 1 99 TYR HB3 . . 6.810 2.285 1.858 4.871 . 0 0 "[ . 1 . 2]" 1
1206 1 3 PHE QD 1 92 GLU QB . . 8.540 3.351 2.612 4.355 . 0 0 "[ . 1 . 2]" 1
1207 1 3 PHE QD 1 101 SER QB . . 8.540 3.132 2.557 4.455 . 0 0 "[ . 1 . 2]" 1
1208 1 3 PHE QE 1 92 GLU QB . . 8.540 3.488 2.451 4.537 . 0 0 "[ . 1 . 2]" 1
1209 1 3 PHE QE 1 101 SER QB . . 8.540 3.182 2.678 4.345 . 0 0 "[ . 1 . 2]" 1
1210 1 4 GLU H 1 4 GLU QG . . 4.970 3.450 2.119 4.111 . 0 0 "[ . 1 . 2]" 1
1211 1 4 GLU H 1 99 TYR QB . . 6.890 3.522 3.241 4.089 . 0 0 "[ . 1 . 2]" 1
1212 1 4 GLU QG 1 5 LYS H . . 6.390 3.332 2.372 4.772 . 0 0 "[ . 1 . 2]" 1
1213 1 4 GLU QG 1 6 ILE MD . . 6.950 5.045 2.514 6.750 . 0 0 "[ . 1 . 2]" 1
1214 1 4 GLU QG 1 100 VAL H . . 6.890 4.946 3.533 5.920 . 0 0 "[ . 1 . 2]" 1
1215 1 4 GLU QG 1 100 VAL QG . . 8.480 4.539 2.649 6.016 . 0 0 "[ . 1 . 2]" 1
1216 1 5 LYS H 1 5 LYS QB . . 3.050 2.281 2.138 2.384 . 0 0 "[ . 1 . 2]" 1
1217 1 5 LYS H 1 99 TYR QB . . 6.890 4.651 3.731 5.519 . 0 0 "[ . 1 . 2]" 1
1218 1 5 LYS HA 1 99 TYR QB . . 6.390 3.767 2.398 4.323 . 0 0 "[ . 1 . 2]" 1
1219 1 5 LYS QB 1 6 ILE H . . 3.930 3.710 3.597 3.772 . 0 0 "[ . 1 . 2]" 1
1220 1 5 LYS QB 1 99 TYR HA . . 5.330 4.014 3.573 4.529 . 0 0 "[ . 1 . 2]" 1
1221 1 5 LYS QG 1 97 ASP QB . . 6.250 3.547 2.423 4.962 . 0 0 "[ . 1 . 2]" 1
1222 1 5 LYS QE 1 6 ILE H . . 6.890 4.596 3.802 4.998 . 0 0 "[ . 1 . 2]" 1
1223 1 5 LYS QE 1 7 CYS H . . 6.890 4.181 3.182 5.044 . 0 0 "[ . 1 . 2]" 1
1224 1 5 LYS QE 1 97 ASP QB . . 7.280 4.010 2.611 6.201 . 0 0 "[ . 1 . 2]" 1
1225 1 6 ILE MG 1 20 PHE QB . . 4.960 3.838 1.929 4.249 . 0 0 "[ . 1 . 2]" 1
1226 1 6 ILE QG 1 7 CYS H . . 5.290 3.676 3.436 3.958 . 0 0 "[ . 1 . 2]" 1
1227 1 6 ILE QG 1 20 PHE QB . . 5.250 2.472 2.083 3.502 . 0 0 "[ . 1 . 2]" 1
1228 1 6 ILE QG 1 21 GLU H . . 6.890 4.931 3.860 5.878 . 0 0 "[ . 1 . 2]" 1
1229 1 6 ILE QG 1 22 THR HA . . 6.390 4.750 3.193 6.001 . 0 0 "[ . 1 . 2]" 1
1230 1 6 ILE QG 1 100 VAL H . . 6.890 5.578 3.020 6.228 . 0 0 "[ . 1 . 2]" 1
1231 1 6 ILE MD 1 20 PHE QB . . 4.810 2.140 1.926 2.990 . 0 0 "[ . 1 . 2]" 1
1232 1 7 CYS HA 1 8 SER QB . . 5.490 4.520 4.067 4.765 . 0 0 "[ . 1 . 2]" 1
1233 1 7 CYS QB 1 8 SER H . . 3.020 1.874 1.734 2.235 . 0 0 "[ . 1 . 2]" 1
1234 1 7 CYS QB 1 98 ILE MG . . 5.990 4.365 3.232 5.092 . 0 0 "[ . 1 . 2]" 1
1235 1 8 SER H 1 8 SER QB . . 3.570 2.856 2.278 3.132 . 0 0 "[ . 1 . 2]" 1
1236 1 8 SER HA 1 97 ASP QB . . 6.390 4.262 3.547 4.694 . 0 0 "[ . 1 . 2]" 1
1237 1 8 SER QB 1 9 LEU H . . 3.470 2.677 2.479 3.356 . 0 0 "[ . 1 . 2]" 1
1238 1 8 SER QB 1 10 ASP H . . 3.750 2.477 2.114 2.878 . 0 0 "[ . 1 . 2]" 1
1239 1 8 SER QB 1 10 ASP QB . . 7.280 2.784 2.197 3.831 . 0 0 "[ . 1 . 2]" 1
1240 1 8 SER QB 1 11 ASP H . . 4.590 3.109 2.297 3.655 . 0 0 "[ . 1 . 2]" 1
1241 1 8 SER QB 1 96 ASP QB . . 5.240 3.248 2.482 4.257 . 0 0 "[ . 1 . 2]" 1
1242 1 8 SER QB 1 98 ILE H . . 6.890 4.315 3.781 4.902 . 0 0 "[ . 1 . 2]" 1
1243 1 9 LEU H 1 9 LEU QB . . 3.090 2.166 2.051 2.236 . 0 0 "[ . 1 . 2]" 1
1244 1 9 LEU H 1 9 LEU QD . . 5.000 3.685 3.250 3.798 . 0 0 "[ . 1 . 2]" 1
1245 1 9 LEU H 1 98 ILE QG . . 6.530 3.052 2.115 3.686 . 0 0 "[ . 1 . 2]" 1
1246 1 9 LEU HA 1 9 LEU QD . . 4.180 2.473 1.989 2.976 . 0 0 "[ . 1 . 2]" 1
1247 1 9 LEU QB 1 96 ASP HA . . 6.080 2.324 1.838 3.008 . 0 0 "[ . 1 . 2]" 1
1248 1 9 LEU QB 1 96 ASP QB . . 6.690 3.720 2.997 4.703 . 0 0 "[ . 1 . 2]" 1
1249 1 9 LEU QB 1 98 ILE MD . . 7.420 2.896 2.084 3.941 . 0 0 "[ . 1 . 2]" 1
1250 1 9 LEU QD 1 10 ASP H . . 6.610 3.856 3.287 4.301 . 0 0 "[ . 1 . 2]" 1
1251 1 9 LEU QD 1 11 ASP H . . 8.170 4.680 4.275 5.040 . 0 0 "[ . 1 . 2]" 1
1252 1 9 LEU QD 1 32 ASN QD . . 7.450 2.392 2.070 2.836 . 0 0 "[ . 1 . 2]" 1
1253 1 9 LEU MD1 1 32 ASN HD21 . . 9.340 3.613 2.487 4.717 . 0 0 "[ . 1 . 2]" 1
1254 1 9 LEU MD1 1 32 ASN HD22 . . 9.340 3.030 2.203 4.338 . 0 0 "[ . 1 . 2]" 1
1255 1 9 LEU QD 1 96 ASP HA . . 4.500 3.292 2.741 4.113 . 0 0 "[ . 1 . 2]" 1
1256 1 9 LEU QD 1 97 ASP H . . 6.140 4.849 3.440 5.967 . 0 0 "[ . 1 . 2]" 1
1257 1 10 ASP H 1 10 ASP QB . . 3.280 2.301 2.200 2.627 . 0 0 "[ . 1 . 2]" 1
1258 1 12 ILE HB 1 32 ASN QB . . 6.020 3.970 2.804 5.027 . 0 0 "[ . 1 . 2]" 1
1259 1 12 ILE MG 1 16 GLU QB . . 7.170 4.226 2.929 5.601 . 0 0 "[ . 1 . 2]" 1
1260 1 12 ILE MG 1 32 ASN QB . . 5.600 3.971 3.241 4.369 . 0 0 "[ . 1 . 2]" 1
1261 1 12 ILE MG 1 32 ASN QD . . 6.480 4.633 3.254 5.700 . 0 0 "[ . 1 . 2]" 1
1262 1 12 ILE QG 1 13 TRP H . . 5.150 3.762 3.131 4.207 . 0 0 "[ . 1 . 2]" 1
1263 1 12 ILE QG 1 13 TRP QB . . 7.270 5.203 4.781 5.554 . 0 0 "[ . 1 . 2]" 1
1264 1 12 ILE QG 1 16 GLU H . . 6.890 5.103 4.587 5.550 . 0 0 "[ . 1 . 2]" 1
1265 1 12 ILE QG 1 16 GLU QB . . 5.230 4.052 3.543 4.347 . 0 0 "[ . 1 . 2]" 1
1266 1 12 ILE HG12 1 16 GLU HB3 . . 6.070 5.747 4.213 6.158 0.088 12 0 "[ . 1 . 2]" 1
1267 1 12 ILE QG 1 18 GLU H . . 6.890 5.119 4.390 6.214 . 0 0 "[ . 1 . 2]" 1
1268 1 12 ILE QG 1 32 ASN HA . . 6.390 4.520 4.126 5.248 . 0 0 "[ . 1 . 2]" 1
1269 1 12 ILE QG 1 32 ASN QB . . 4.840 2.275 1.980 2.759 . 0 0 "[ . 1 . 2]" 1
1270 1 12 ILE QG 1 32 ASN QD . . 6.310 3.018 2.303 3.713 . 0 0 "[ . 1 . 2]" 1
1271 1 12 ILE HG12 1 32 ASN HD22 . . 7.250 6.017 5.273 6.661 . 0 0 "[ . 1 . 2]" 1
1272 1 12 ILE HG13 1 32 ASN HD22 . . 7.250 4.665 4.055 6.390 . 0 0 "[ . 1 . 2]" 1
1273 1 12 ILE QG 1 98 ILE QG . . 5.080 4.745 3.595 5.051 . 0 0 "[ . 1 . 2]" 1
1274 1 12 ILE HG12 1 98 ILE HG12 . . 6.320 6.153 4.973 6.391 0.071 7 0 "[ . 1 . 2]" 1
1275 1 12 ILE HG13 1 98 ILE HG12 . . 6.320 6.233 5.355 6.402 0.082 15 0 "[ . 1 . 2]" 1
1276 1 12 ILE QG 1 98 ILE MD . . 6.290 3.121 2.568 5.083 . 0 0 "[ . 1 . 2]" 1
1277 1 12 ILE MD 1 13 TRP QB . . 7.410 5.103 3.944 6.404 . 0 0 "[ . 1 . 2]" 1
1278 1 12 ILE MD 1 16 GLU QB . . 5.450 3.274 1.780 4.589 . 0 0 "[ . 1 . 2]" 1
1279 1 12 ILE MD 1 32 ASN QD . . 6.860 3.971 3.494 5.022 . 0 0 "[ . 1 . 2]" 1
1280 1 13 TRP H 1 13 TRP QB . . 3.710 2.329 2.101 2.441 . 0 0 "[ . 1 . 2]" 1
1281 1 13 TRP H 1 16 GLU QB . . 3.430 2.337 1.891 2.731 . 0 0 "[ . 1 . 2]" 1
1282 1 13 TRP H 1 16 GLU QG . . 6.390 3.216 2.304 4.462 . 0 0 "[ . 1 . 2]" 1
1283 1 13 TRP HA 1 14 VAL QG . . 7.230 3.787 3.297 4.187 . 0 0 "[ . 1 . 2]" 1
1284 1 13 TRP QB 1 14 VAL H . . 3.440 2.319 2.183 2.428 . 0 0 "[ . 1 . 2]" 1
1285 1 13 TRP QB 1 14 VAL QG . . 8.960 3.346 2.890 3.886 . 0 0 "[ . 1 . 2]" 1
1286 1 13 TRP QB 1 16 GLU QB . . 4.850 2.800 2.417 3.062 . 0 0 "[ . 1 . 2]" 1
1287 1 14 VAL H 1 32 ASN QD . . 5.560 3.349 2.729 4.889 . 0 0 "[ . 1 . 2]" 1
1288 1 14 VAL QG 1 15 GLY H . . 5.300 2.853 2.607 3.555 . 0 0 "[ . 1 . 2]" 1
1289 1 14 VAL QG 1 15 GLY QA . . 8.010 3.196 3.017 3.842 . 0 0 "[ . 1 . 2]" 1
1290 1 14 VAL MG2 1 15 GLY HA2 . . 9.620 4.577 3.596 5.808 . 0 0 "[ . 1 . 2]" 1
1291 1 14 VAL MG2 1 15 GLY HA3 . . 9.620 4.316 3.493 5.538 . 0 0 "[ . 1 . 2]" 1
1292 1 14 VAL QG 1 16 GLU H . . 7.390 4.169 3.980 4.424 . 0 0 "[ . 1 . 2]" 1
1293 1 14 VAL QG 1 33 SER HA . . 7.760 3.580 2.813 4.427 . 0 0 "[ . 1 . 2]" 1
1294 1 14 VAL QG 1 34 GLU H . . 5.600 3.061 2.040 3.885 . 0 0 "[ . 1 . 2]" 1
1295 1 14 VAL QG 1 34 GLU HA . . 6.770 2.534 1.797 3.285 . 0 0 "[ . 1 . 2]" 1
1296 1 14 VAL QG 1 34 GLU QG . . 8.180 3.054 2.217 4.049 . 0 0 "[ . 1 . 2]" 1
1297 1 15 GLY H 1 16 GLU QB . . 5.880 4.417 4.240 4.542 . 0 0 "[ . 1 . 2]" 1
1298 1 16 GLU H 1 16 GLU QB . . 3.660 2.377 2.231 2.486 . 0 0 "[ . 1 . 2]" 1
1299 1 16 GLU H 1 32 ASN QB . . 4.830 3.257 2.607 3.681 . 0 0 "[ . 1 . 2]" 1
1300 1 16 GLU QB 1 32 ASN H . . 6.890 4.297 3.776 4.711 . 0 0 "[ . 1 . 2]" 1
1301 1 17 MET H 1 17 MET QG . . 4.070 2.607 2.187 3.368 . 0 0 "[ . 1 . 2]" 1
1302 1 17 MET HA 1 31 VAL QG . . 5.960 3.327 2.799 3.855 . 0 0 "[ . 1 . 2]" 1
1303 1 17 MET QB 1 29 LEU QD . . 5.680 2.206 1.794 3.693 . 0 0 "[ . 1 . 2]" 1
1304 1 17 MET HB3 1 29 LEU MD2 . . 7.220 4.211 2.814 6.131 . 0 0 "[ . 1 . 2]" 1
1305 1 17 MET QB 1 30 ILE H . . 6.710 4.386 4.117 4.787 . 0 0 "[ . 1 . 2]" 1
1306 1 17 MET QB 1 31 VAL HA . . 4.960 2.311 1.938 3.545 . 0 0 "[ . 1 . 2]" 1
1307 1 17 MET QB 1 31 VAL QG . . 7.410 1.828 1.660 2.708 . 0 0 "[ . 1 . 2]" 1
1308 1 17 MET HB2 1 31 VAL MG1 . . 9.560 3.679 3.162 4.736 . 0 0 "[ . 1 . 2]" 1
1309 1 17 MET HB3 1 31 VAL MG1 . . 9.560 2.762 1.922 4.206 . 0 0 "[ . 1 . 2]" 1
1310 1 17 MET QG 1 18 GLU H . . 5.300 3.972 3.581 4.476 . 0 0 "[ . 1 . 2]" 1
1311 1 17 MET QG 1 29 LEU QD . . 7.380 2.770 2.145 5.084 . 0 0 "[ . 1 . 2]" 1
1312 1 17 MET HG2 1 29 LEU MD1 . . 9.210 4.091 2.806 6.398 . 0 0 "[ . 1 . 2]" 1
1313 1 17 MET HG3 1 29 LEU MD1 . . 9.210 3.370 2.181 5.911 . 0 0 "[ . 1 . 2]" 1
1314 1 17 MET QG 1 53 SER HA . . 4.950 3.447 2.189 4.943 . 0 0 "[ . 1 . 2]" 1
1315 1 17 MET QG 1 53 SER QB . . 6.320 3.851 2.739 5.180 . 0 0 "[ . 1 . 2]" 1
1316 1 17 MET HG2 1 53 SER HB2 . . 7.270 5.349 2.857 6.391 . 0 0 "[ . 1 . 2]" 1
1317 1 17 MET HG2 1 53 SER HB3 . . 7.270 6.394 3.899 7.191 . 0 0 "[ . 1 . 2]" 1
1318 1 17 MET QG 1 57 TYR QB . . 6.040 3.358 2.238 4.204 . 0 0 "[ . 1 . 2]" 1
1319 1 17 MET HG3 1 57 TYR HB2 . . 7.050 4.717 2.582 6.188 . 0 0 "[ . 1 . 2]" 1
1320 1 17 MET HG3 1 57 TYR HB3 . . 7.050 4.858 2.732 6.229 . 0 0 "[ . 1 . 2]" 1
1321 1 17 MET ME 1 53 SER QB . . 7.080 4.401 3.737 4.915 . 0 0 "[ . 1 . 2]" 1
1322 1 17 MET ME 1 57 TYR QB . . 4.480 2.701 2.035 3.724 . 0 0 "[ . 1 . 2]" 1
1323 1 18 GLU H 1 18 GLU QB . . 3.740 3.033 2.707 3.420 . 0 0 "[ . 1 . 2]" 1
1324 1 18 GLU H 1 29 LEU QD . . 6.420 3.086 2.593 4.831 . 0 0 "[ . 1 . 2]" 1
1325 1 18 GLU H 1 30 ILE QG . . 5.360 5.059 4.547 5.383 0.023 3 0 "[ . 1 . 2]" 1
1326 1 18 GLU H 1 31 VAL QG . . 8.570 4.234 3.618 4.863 . 0 0 "[ . 1 . 2]" 1
1327 1 18 GLU H 1 53 SER QB . . 6.390 4.076 3.388 4.470 . 0 0 "[ . 1 . 2]" 1
1328 1 18 GLU HA 1 52 LEU QD . . 7.880 5.950 4.891 7.239 . 0 0 "[ . 1 . 2]" 1
1329 1 18 GLU HA 1 53 SER QB . . 4.660 1.809 1.659 2.140 . 0 0 "[ . 1 . 2]" 1
1330 1 18 GLU QB 1 52 LEU QD . . 7.820 6.701 5.548 7.589 . 0 0 "[ . 1 . 2]" 1
1331 1 18 GLU HB2 1 52 LEU MD1 . . 9.620 8.966 6.787 9.709 0.089 12 0 "[ . 1 . 2]" 1
1332 1 18 GLU HB3 1 52 LEU MD1 . . 9.620 9.007 7.097 9.701 0.081 11 0 "[ . 1 . 2]" 1
1333 1 18 GLU QB 1 54 GLU H . . 6.390 6.273 5.658 6.565 0.175 20 0 "[ . 1 . 2]" 1
1334 1 18 GLU QB 1 54 GLU QG . . 6.970 5.622 4.219 6.647 . 0 0 "[ . 1 . 2]" 1
1335 1 19 THR H 1 52 LEU QD . . 7.270 5.463 4.284 6.983 . 0 0 "[ . 1 . 2]" 1
1336 1 19 THR HA 1 29 LEU QD . . 7.540 3.368 2.693 4.979 . 0 0 "[ . 1 . 2]" 1
1337 1 19 THR HA 1 30 ILE QG . . 6.390 4.945 3.573 6.460 0.070 8 0 "[ . 1 . 2]" 1
1338 1 19 THR HB 1 52 LEU QD . . 7.010 4.627 2.844 6.618 . 0 0 "[ . 1 . 2]" 1
1339 1 19 THR MG 1 27 GLU QB . . 4.870 2.735 1.913 4.474 . 0 0 "[ . 1 . 2]" 1
1340 1 19 THR MG 1 27 GLU QG . . 5.840 3.504 2.007 4.550 . 0 0 "[ . 1 . 2]" 1
1341 1 19 THR MG 1 28 VAL QG . . 7.420 4.625 4.006 5.592 . 0 0 "[ . 1 . 2]" 1
1342 1 19 THR MG 1 52 LEU QD . . 7.360 3.966 2.118 5.429 . 0 0 "[ . 1 . 2]" 1
1343 1 20 PHE H 1 20 PHE QB . . 3.590 2.663 2.570 3.050 . 0 0 "[ . 1 . 2]" 1
1344 1 20 PHE H 1 28 VAL QG . . 6.380 4.109 3.924 4.251 . 0 0 "[ . 1 . 2]" 1
1345 1 20 PHE QB 1 21 GLU H . . 3.480 2.543 2.358 2.699 . 0 0 "[ . 1 . 2]" 1
1346 1 20 PHE QB 1 28 VAL H . . 6.890 4.257 4.002 4.772 . 0 0 "[ . 1 . 2]" 1
1347 1 20 PHE QB 1 28 VAL HB . . 6.390 4.049 3.625 4.860 . 0 0 "[ . 1 . 2]" 1
1348 1 20 PHE QB 1 28 VAL QG . . 7.780 4.326 4.011 4.869 . 0 0 "[ . 1 . 2]" 1
1349 1 20 PHE HB2 1 28 VAL MG1 . . 9.620 5.057 4.478 6.306 . 0 0 "[ . 1 . 2]" 1
1350 1 20 PHE HB3 1 28 VAL MG1 . . 9.620 6.224 5.804 6.636 . 0 0 "[ . 1 . 2]" 1
1351 1 20 PHE QB 1 30 ILE QG . . 7.280 3.565 2.376 5.607 . 0 0 "[ . 1 . 2]" 1
1352 1 21 GLU H 1 21 GLU QB . . 3.400 2.430 2.270 2.942 . 0 0 "[ . 1 . 2]" 1
1353 1 21 GLU H 1 21 GLU QG . . 4.950 3.901 2.846 4.077 . 0 0 "[ . 1 . 2]" 1
1354 1 21 GLU HA 1 27 GLU QB . . 6.390 4.110 3.639 4.672 . 0 0 "[ . 1 . 2]" 1
1355 1 21 GLU HA 1 28 VAL QG . . 8.070 3.928 3.576 4.234 . 0 0 "[ . 1 . 2]" 1
1356 1 21 GLU QB 1 22 THR H . . 3.890 3.507 2.663 3.651 . 0 0 "[ . 1 . 2]" 1
1357 1 21 GLU QB 1 22 THR MG . . 6.180 4.827 4.287 4.984 . 0 0 "[ . 1 . 2]" 1
1358 1 21 GLU QB 1 25 GLY H . . 5.990 5.143 4.026 5.392 . 0 0 "[ . 1 . 2]" 1
1359 1 21 GLU QB 1 26 THR HA . . 6.230 5.846 4.647 6.241 0.011 19 0 "[ . 1 . 2]" 1
1360 1 21 GLU QG 1 27 GLU H . . 6.170 4.312 3.374 6.236 0.066 12 0 "[ . 1 . 2]" 1
1361 1 22 THR H 1 28 VAL QG . . 8.570 3.706 3.532 3.930 . 0 0 "[ . 1 . 2]" 1
1362 1 22 THR HA 1 28 VAL QG . . 8.070 4.824 4.356 5.320 . 0 0 "[ . 1 . 2]" 1
1363 1 22 THR HB 1 28 VAL QG . . 8.040 4.634 4.298 5.172 . 0 0 "[ . 1 . 2]" 1
1364 1 22 THR MG 1 28 VAL QG . . 6.770 2.220 1.962 2.648 . 0 0 "[ . 1 . 2]" 1
1365 1 23 SER H 1 23 SER QB . . 3.380 2.397 2.325 2.490 . 0 0 "[ . 1 . 2]" 1
1366 1 23 SER HA 1 23 SER QB . . 2.680 2.324 2.182 2.381 . 0 0 "[ . 1 . 2]" 1
1367 1 23 SER QB 1 24 ASP H . . 3.970 3.057 2.717 3.519 . 0 0 "[ . 1 . 2]" 1
1368 1 23 SER QB 1 25 GLY H . . 5.740 4.565 4.404 4.765 . 0 0 "[ . 1 . 2]" 1
1369 1 24 ASP H 1 24 ASP QB . . 3.590 2.342 2.207 2.502 . 0 0 "[ . 1 . 2]" 1
1370 1 24 ASP H 1 25 GLY QA . . 5.490 4.294 4.199 4.378 . 0 0 "[ . 1 . 2]" 1
1371 1 25 GLY QA 1 27 GLU QG . . 7.280 5.201 3.992 7.128 . 0 0 "[ . 1 . 2]" 1
1372 1 26 THR HA 1 27 GLU QG . . 6.390 4.282 3.483 5.879 . 0 0 "[ . 1 . 2]" 1
1373 1 26 THR HA 1 28 VAL QG . . 8.070 4.387 4.133 4.839 . 0 0 "[ . 1 . 2]" 1
1374 1 26 THR HB 1 28 VAL QG . . 6.950 3.014 2.592 3.653 . 0 0 "[ . 1 . 2]" 1
1375 1 27 GLU H 1 27 GLU QB . . 3.650 2.478 2.171 2.990 . 0 0 "[ . 1 . 2]" 1
1376 1 27 GLU H 1 27 GLU QG . . 4.680 2.773 2.090 3.989 . 0 0 "[ . 1 . 2]" 1
1377 1 27 GLU H 1 28 VAL QG . . 7.110 3.957 3.777 4.275 . 0 0 "[ . 1 . 2]" 1
1378 1 27 GLU HA 1 28 VAL QG . . 7.260 3.359 3.106 3.560 . 0 0 "[ . 1 . 2]" 1
1379 1 27 GLU QB 1 28 VAL H . . 4.050 3.205 2.921 3.755 . 0 0 "[ . 1 . 2]" 1
1380 1 27 GLU QB 1 44 MET H . . 6.390 4.529 2.893 6.497 0.107 17 0 "[ . 1 . 2]" 1
1381 1 27 GLU QG 1 28 VAL H . . 5.690 4.099 2.837 4.711 . 0 0 "[ . 1 . 2]" 1
1382 1 27 GLU QG 1 43 ALA MB . . 5.900 3.828 1.845 5.304 . 0 0 "[ . 1 . 2]" 1
1383 1 28 VAL H 1 52 LEU QD . . 8.570 6.674 5.569 8.210 . 0 0 "[ . 1 . 2]" 1
1384 1 28 VAL QG 1 29 LEU H . . 4.660 2.374 2.291 2.496 . 0 0 "[ . 1 . 2]" 1
1385 1 28 VAL QG 1 29 LEU HA . . 7.080 3.864 3.716 3.986 . 0 0 "[ . 1 . 2]" 1
1386 1 28 VAL QG 1 30 ILE QG . . 6.510 3.192 2.564 5.077 . 0 0 "[ . 1 . 2]" 1
1387 1 28 VAL MG1 1 30 ILE HG13 . . 8.060 3.695 2.674 5.894 . 0 0 "[ . 1 . 2]" 1
1388 1 28 VAL MG2 1 30 ILE HG13 . . 8.060 5.626 4.740 8.145 0.085 11 0 "[ . 1 . 2]" 1
1389 1 28 VAL QG 1 40 ALA HA . . 7.730 3.017 2.690 3.365 . 0 0 "[ . 1 . 2]" 1
1390 1 28 VAL QG 1 40 ALA MB . . 7.550 2.041 1.776 2.473 . 0 0 "[ . 1 . 2]" 1
1391 1 28 VAL QG 1 41 TYR H . . 7.140 2.603 2.361 2.844 . 0 0 "[ . 1 . 2]" 1
1392 1 28 VAL QG 1 43 ALA MB . . 9.100 3.702 3.430 4.101 . 0 0 "[ . 1 . 2]" 1
1393 1 28 VAL QG 1 89 TYR H . . 8.570 4.419 3.851 4.841 . 0 0 "[ . 1 . 2]" 1
1394 1 28 VAL QG 1 89 TYR QB . . 7.840 3.558 2.599 5.400 . 0 0 "[ . 1 . 2]" 1
1395 1 28 VAL MG2 1 89 TYR HB2 . . 9.620 4.939 3.924 7.239 . 0 0 "[ . 1 . 2]" 1
1396 1 28 VAL MG2 1 89 TYR HB3 . . 9.620 5.274 4.359 7.253 . 0 0 "[ . 1 . 2]" 1
1397 1 28 VAL QG 1 89 TYR QD . . 9.530 2.785 2.229 4.179 . 0 0 "[ . 1 . 2]" 1
1398 1 28 VAL QG 1 89 TYR QE . . 9.870 2.519 1.894 3.473 . 0 0 "[ . 1 . 2]" 1
1399 1 29 LEU H 1 29 LEU QB . . 3.520 2.288 2.207 2.702 . 0 0 "[ . 1 . 2]" 1
1400 1 29 LEU HA 1 30 ILE QG . . 6.390 4.612 3.675 6.006 . 0 0 "[ . 1 . 2]" 1
1401 1 29 LEU HA 1 53 SER QB . . 4.390 3.887 3.379 4.140 . 0 0 "[ . 1 . 2]" 1
1402 1 29 LEU QB 1 41 TYR QB . . 6.320 3.692 2.444 4.726 . 0 0 "[ . 1 . 2]" 1
1403 1 29 LEU HB2 1 41 TYR HB2 . . 7.270 5.271 3.854 6.547 . 0 0 "[ . 1 . 2]" 1
1404 1 29 LEU HB3 1 41 TYR HB2 . . 7.270 4.016 2.495 5.486 . 0 0 "[ . 1 . 2]" 1
1405 1 29 LEU QB 1 43 ALA HA . . 4.040 2.497 1.817 3.347 . 0 0 "[ . 1 . 2]" 1
1406 1 29 LEU HG 1 31 VAL QG . . 7.290 3.340 1.933 5.689 . 0 0 "[ . 1 . 2]" 1
1407 1 29 LEU QD 1 30 ILE H . . 6.360 2.784 2.374 3.764 . 0 0 "[ . 1 . 2]" 1
1408 1 29 LEU QD 1 41 TYR H . . 8.070 4.171 2.483 4.906 . 0 0 "[ . 1 . 2]" 1
1409 1 29 LEU QD 1 41 TYR QB . . 7.440 3.984 1.858 5.175 . 0 0 "[ . 1 . 2]" 1
1410 1 29 LEU MD2 1 41 TYR HB2 . . 9.370 4.706 2.171 7.404 . 0 0 "[ . 1 . 2]" 1
1411 1 29 LEU MD2 1 41 TYR HB3 . . 9.370 5.559 3.061 7.911 . 0 0 "[ . 1 . 2]" 1
1412 1 29 LEU QD 1 43 ALA HA . . 5.700 3.326 1.974 4.186 . 0 0 "[ . 1 . 2]" 1
1413 1 29 LEU QD 1 53 SER H . . 6.920 3.732 2.949 5.626 . 0 0 "[ . 1 . 2]" 1
1414 1 29 LEU QD 1 53 SER HA . . 6.640 2.276 1.860 4.555 . 0 0 "[ . 1 . 2]" 1
1415 1 29 LEU QD 1 53 SER QB . . 6.290 2.504 1.899 4.852 . 0 0 "[ . 1 . 2]" 1
1416 1 29 LEU MD1 1 53 SER HB2 . . 8.160 3.477 2.407 6.404 . 0 0 "[ . 1 . 2]" 1
1417 1 29 LEU MD1 1 53 SER HB3 . . 8.160 3.152 1.963 6.273 . 0 0 "[ . 1 . 2]" 1
1418 1 30 ILE H 1 30 ILE QG . . 4.310 3.194 2.423 4.098 . 0 0 "[ . 1 . 2]" 1
1419 1 30 ILE QG 1 31 VAL H . . 6.390 4.207 3.154 4.833 . 0 0 "[ . 1 . 2]" 1
1420 1 31 VAL HB 1 39 LYS QB . . 4.750 3.434 2.146 4.364 . 0 0 "[ . 1 . 2]" 1
1421 1 31 VAL QG 1 32 ASN H . . 5.550 2.790 2.500 2.900 . 0 0 "[ . 1 . 2]" 1
1422 1 31 VAL QG 1 32 ASN HA . . 6.460 3.588 3.236 3.859 . 0 0 "[ . 1 . 2]" 1
1423 1 31 VAL QG 1 33 SER QB . . 7.260 3.325 2.251 3.840 . 0 0 "[ . 1 . 2]" 1
1424 1 31 VAL MG1 1 33 SER HB3 . . 8.310 4.202 2.906 5.038 . 0 0 "[ . 1 . 2]" 1
1425 1 31 VAL MG2 1 33 SER HB3 . . 8.310 5.622 2.289 6.984 . 0 0 "[ . 1 . 2]" 1
1426 1 31 VAL QG 1 38 VAL HA . . 5.800 4.066 3.248 4.707 . 0 0 "[ . 1 . 2]" 1
1427 1 31 VAL QG 1 39 LYS QB . . 7.040 3.079 1.852 4.022 . 0 0 "[ . 1 . 2]" 1
1428 1 31 VAL QG 1 39 LYS QG . . 7.190 4.096 2.905 4.966 . 0 0 "[ . 1 . 2]" 1
1429 1 31 VAL QG 1 41 TYR QD . . 10.220 3.233 2.314 4.242 . 0 0 "[ . 1 . 2]" 1
1430 1 31 VAL QG 1 41 TYR QE . . 10.220 2.721 1.964 4.150 . 0 0 "[ . 1 . 2]" 1
1431 1 31 VAL QG 1 57 TYR QD . . 10.220 2.777 2.105 3.851 . 0 0 "[ . 1 . 2]" 1
1432 1 31 VAL QG 1 57 TYR QE . . 9.940 2.898 2.011 3.851 . 0 0 "[ . 1 . 2]" 1
1433 1 31 VAL QG 1 73 ASP QB . . 7.660 4.835 3.878 6.989 . 0 0 "[ . 1 . 2]" 1
1434 1 31 VAL MG1 1 73 ASP HB2 . . 9.560 5.774 4.408 8.590 . 0 0 "[ . 1 . 2]" 1
1435 1 31 VAL MG1 1 73 ASP HB3 . . 9.560 6.395 5.114 8.914 . 0 0 "[ . 1 . 2]" 1
1436 1 33 SER H 1 33 SER QB . . 3.480 2.467 2.198 2.892 . 0 0 "[ . 1 . 2]" 1
1437 1 33 SER H 1 36 HIS QB . . 5.920 4.429 3.907 4.914 . 0 0 "[ . 1 . 2]" 1
1438 1 33 SER H 1 39 LYS QB . . 6.890 4.996 4.346 5.635 . 0 0 "[ . 1 . 2]" 1
1439 1 33 SER H 1 39 LYS QG . . 6.890 4.970 3.826 6.934 0.044 13 0 "[ . 1 . 2]" 1
1440 1 33 SER QB 1 34 GLU H . . 4.230 2.857 2.456 3.547 . 0 0 "[ . 1 . 2]" 1
1441 1 33 SER QB 1 35 GLU H . . 5.700 3.162 2.435 3.895 . 0 0 "[ . 1 . 2]" 1
1442 1 33 SER QB 1 36 HIS QB . . 6.320 2.256 1.826 3.154 . 0 0 "[ . 1 . 2]" 1
1443 1 33 SER HB2 1 36 HIS HB2 . . 7.270 3.332 1.925 4.878 . 0 0 "[ . 1 . 2]" 1
1444 1 33 SER HB3 1 36 HIS HB2 . . 7.270 3.316 1.970 4.967 . 0 0 "[ . 1 . 2]" 1
1445 1 33 SER QB 1 37 GLY H . . 4.040 2.627 1.974 3.508 . 0 0 "[ . 1 . 2]" 1
1446 1 35 GLU H 1 35 GLU QB . . 3.480 2.360 2.161 2.573 . 0 0 "[ . 1 . 2]" 1
1447 1 35 GLU H 1 35 GLU QG . . 4.640 3.314 2.249 4.125 . 0 0 "[ . 1 . 2]" 1
1448 1 35 GLU QB 1 36 HIS H . . 4.050 2.638 2.386 2.931 . 0 0 "[ . 1 . 2]" 1
1449 1 35 GLU QG 1 36 HIS H . . 6.890 3.938 3.407 4.303 . 0 0 "[ . 1 . 2]" 1
1450 1 37 GLY QA 1 38 VAL QG . . 8.480 3.509 3.322 3.673 . 0 0 "[ . 1 . 2]" 1
1451 1 39 LYS H 1 39 LYS QG . . 5.040 3.291 2.851 4.179 . 0 0 "[ . 1 . 2]" 1
1452 1 39 LYS HA 1 39 LYS QG . . 3.950 2.739 2.311 3.041 . 0 0 "[ . 1 . 2]" 1
1453 1 39 LYS HA 1 91 VAL QG . . 6.550 2.433 1.983 2.888 . 0 0 "[ . 1 . 2]" 1
1454 1 39 LYS QE 1 91 VAL QG . . 8.960 4.659 2.110 5.906 . 0 0 "[ . 1 . 2]" 1
1455 1 40 ALA H 1 88 GLU QB . . 6.890 4.572 3.120 6.575 . 0 0 "[ . 1 . 2]" 1
1456 1 40 ALA H 1 88 GLU QG . . 6.890 4.724 3.114 6.935 0.045 15 0 "[ . 1 . 2]" 1
1457 1 40 ALA H 1 91 VAL QG . . 6.050 2.623 2.288 3.083 . 0 0 "[ . 1 . 2]" 1
1458 1 40 ALA HA 1 91 VAL QG . . 8.070 3.907 3.578 4.349 . 0 0 "[ . 1 . 2]" 1
1459 1 40 ALA MB 1 89 TYR QB . . 4.740 2.486 1.831 4.465 . 0 0 "[ . 1 . 2]" 1
1460 1 40 ALA MB 1 91 VAL QG . . 7.360 2.357 2.019 2.812 . 0 0 "[ . 1 . 2]" 1
1461 1 41 TYR QB 1 42 GLN H . . 3.770 2.613 2.252 2.948 . 0 0 "[ . 1 . 2]" 1
1462 1 41 TYR QB 1 86 LEU QB . . 5.050 2.402 1.828 3.965 . 0 0 "[ . 1 . 2]" 1
1463 1 41 TYR QB 1 86 LEU QD . . 7.540 2.385 1.777 3.742 . 0 0 "[ . 1 . 2]" 1
1464 1 41 TYR HB2 1 86 LEU MD2 . . 9.150 3.745 2.074 5.664 . 0 0 "[ . 1 . 2]" 1
1465 1 41 TYR HB3 1 86 LEU MD2 . . 9.150 3.687 1.992 6.281 . 0 0 "[ . 1 . 2]" 1
1466 1 42 GLN H 1 42 GLN QB . . 3.670 2.503 2.130 2.748 . 0 0 "[ . 1 . 2]" 1
1467 1 42 GLN H 1 42 GLN QG . . 4.910 2.595 1.839 4.117 . 0 0 "[ . 1 . 2]" 1
1468 1 42 GLN H 1 42 GLN QE . . 6.880 4.064 2.283 5.087 . 0 0 "[ . 1 . 2]" 1
1469 1 42 GLN H 1 86 LEU QB . . 6.890 3.270 2.432 5.177 . 0 0 "[ . 1 . 2]" 1
1470 1 42 GLN H 1 86 LEU QD . . 6.610 3.664 2.260 4.497 . 0 0 "[ . 1 . 2]" 1
1471 1 42 GLN QB 1 43 ALA H . . 4.020 3.094 2.742 3.809 . 0 0 "[ . 1 . 2]" 1
1472 1 42 GLN QB 1 44 MET H . . 5.020 3.514 2.465 4.692 . 0 0 "[ . 1 . 2]" 1
1473 1 42 GLN QB 1 87 ALA H . . 5.350 3.314 1.667 4.464 . 0 0 "[ . 1 . 2]" 1
1474 1 42 GLN QB 1 87 ALA MB . . 5.200 3.523 1.839 4.920 . 0 0 "[ . 1 . 2]" 1
1475 1 42 GLN QB 1 107 PRO HA . . 5.210 4.199 3.012 4.905 . 0 0 "[ . 1 . 2]" 1
1476 1 42 GLN QB 1 107 PRO QB . . 5.180 3.556 2.165 4.385 . 0 0 "[ . 1 . 2]" 1
1477 1 42 GLN HB3 1 107 PRO HB2 . . 6.230 5.188 3.186 6.257 0.027 10 0 "[ . 1 . 2]" 1
1478 1 42 GLN QB 1 107 PRO QG . . 7.130 5.006 3.434 6.123 . 0 0 "[ . 1 . 2]" 1
1479 1 42 GLN QG 1 86 LEU HA . . 5.240 3.583 2.306 4.570 . 0 0 "[ . 1 . 2]" 1
1480 1 42 GLN QG 1 86 LEU QB . . 5.680 3.735 2.329 5.295 . 0 0 "[ . 1 . 2]" 1
1481 1 42 GLN HG2 1 86 LEU HB2 . . 7.160 5.187 2.736 6.560 . 0 0 "[ . 1 . 2]" 1
1482 1 42 GLN QG 1 86 LEU QD . . 8.020 3.655 1.824 5.694 . 0 0 "[ . 1 . 2]" 1
1483 1 42 GLN HG2 1 86 LEU MD1 . . 9.620 5.041 2.830 7.145 . 0 0 "[ . 1 . 2]" 1
1484 1 42 GLN HG3 1 86 LEU MD1 . . 9.620 5.344 3.004 7.372 . 0 0 "[ . 1 . 2]" 1
1485 1 42 GLN QG 1 87 ALA H . . 5.210 3.051 1.824 4.910 . 0 0 "[ . 1 . 2]" 1
1486 1 42 GLN QG 1 87 ALA MB . . 5.870 3.183 1.937 5.461 . 0 0 "[ . 1 . 2]" 1
1487 1 42 GLN QE 1 107 PRO QB . . 5.180 2.540 1.886 3.834 . 0 0 "[ . 1 . 2]" 1
1488 1 42 GLN QE 1 108 ASN H . . 5.540 3.395 1.806 4.708 . 0 0 "[ . 1 . 2]" 1
1489 1 43 ALA H 1 52 LEU QD . . 8.570 4.951 4.201 5.728 . 0 0 "[ . 1 . 2]" 1
1490 1 43 ALA MB 1 52 LEU QD . . 7.240 2.803 1.724 4.066 . 0 0 "[ . 1 . 2]" 1
1491 1 44 MET H 1 44 MET QG . . 4.850 3.198 2.370 4.408 . 0 0 "[ . 1 . 2]" 1
1492 1 44 MET H 1 52 LEU QD . . 8.570 4.122 1.840 5.142 . 0 0 "[ . 1 . 2]" 1
1493 1 44 MET ME 1 52 LEU QD . . 6.450 5.000 2.566 6.518 0.068 20 0 "[ . 1 . 2]" 1
1494 1 52 LEU QD 1 54 GLU H . . 8.070 4.499 3.939 5.080 . 0 0 "[ . 1 . 2]" 1
1495 1 53 SER QB 1 55 GLY H . . 5.490 4.714 4.487 4.923 . 0 0 "[ . 1 . 2]" 1
1496 1 54 GLU HA 1 54 GLU QG . . 3.680 2.612 2.338 3.148 . 0 0 "[ . 1 . 2]" 1
1497 1 55 GLY H 1 56 SER QB . . 5.450 4.919 3.611 5.667 0.217 20 0 "[ . 1 . 2]" 1
1498 1 56 SER QB 1 57 TYR H . . 3.270 2.575 1.799 3.233 . 0 0 "[ . 1 . 2]" 1
1499 1 56 SER QB 1 63 THR HB . . 4.580 3.145 1.963 4.498 . 0 0 "[ . 1 . 2]" 1
1500 1 57 TYR H 1 57 TYR QB . . 3.480 2.451 2.166 2.641 . 0 0 "[ . 1 . 2]" 1
1501 1 57 TYR QB 1 58 GLU H . . 4.350 3.848 3.705 3.947 . 0 0 "[ . 1 . 2]" 1
1502 1 58 GLU H 1 62 ILE QG . . 6.890 5.001 3.977 6.288 . 0 0 "[ . 1 . 2]" 1
1503 1 59 GLY QA 1 61 VAL H . . 5.700 3.802 3.519 4.103 . 0 0 "[ . 1 . 2]" 1
1504 1 60 GLY QA 1 61 VAL QG . . 8.480 3.461 3.224 3.677 . 0 0 "[ . 1 . 2]" 1
1505 1 62 ILE H 1 62 ILE QG . . 5.120 2.597 2.211 3.491 . 0 0 "[ . 1 . 2]" 1
1506 1 62 ILE QG 1 63 THR H . . 6.890 4.451 3.920 4.734 . 0 0 "[ . 1 . 2]" 1
1507 1 62 ILE QG 1 72 ASN HA . . 5.180 4.419 3.161 5.253 0.073 5 0 "[ . 1 . 2]" 1
1508 1 62 ILE QG 1 73 ASP H . . 5.600 3.574 2.354 4.954 . 0 0 "[ . 1 . 2]" 1
1509 1 71 PHE HA 1 78 GLY QA . . 3.710 2.396 1.898 3.447 . 0 0 "[ . 1 . 2]" 1
1510 1 71 PHE QB 1 86 LEU QD . . 8.950 4.127 1.951 4.933 . 0 0 "[ . 1 . 2]" 1
1511 1 71 PHE QD 1 78 GLY QA . . 8.540 2.810 1.879 4.817 . 0 0 "[ . 1 . 2]" 1
1512 1 71 PHE QD 1 86 LEU QD . . 10.220 3.192 2.363 3.730 . 0 0 "[ . 1 . 2]" 1
1513 1 71 PHE QE 1 88 GLU QB . . 8.540 6.875 4.903 8.381 . 0 0 "[ . 1 . 2]" 1
1514 1 72 ASN H 1 78 GLY QA . . 4.670 2.531 1.794 3.116 . 0 0 "[ . 1 . 2]" 1
1515 1 72 ASN H 1 79 ILE QG . . 6.350 3.933 2.436 5.793 . 0 0 "[ . 1 . 2]" 1
1516 1 72 ASN QB 1 77 HIS H . . 6.750 4.068 2.555 6.239 . 0 0 "[ . 1 . 2]" 1
1517 1 72 ASN QB 1 79 ILE QG . . 6.330 3.249 1.965 5.697 . 0 0 "[ . 1 . 2]" 1
1518 1 72 ASN HB2 1 79 ILE HG13 . . 7.280 3.958 2.330 6.913 . 0 0 "[ . 1 . 2]" 1
1519 1 72 ASN HB3 1 79 ILE HG13 . . 7.280 4.499 2.823 7.130 . 0 0 "[ . 1 . 2]" 1
1520 1 72 ASN QD 1 77 HIS QB . . 7.770 5.649 3.818 7.829 0.059 8 0 "[ . 1 . 2]" 1
1521 1 73 ASP H 1 73 ASP QB . . 3.640 2.328 2.102 2.926 . 0 0 "[ . 1 . 2]" 1
1522 1 76 GLY H 1 86 LEU QB . . 6.890 5.825 4.043 6.662 . 0 0 "[ . 1 . 2]" 1
1523 1 76 GLY H 1 86 LEU QD . . 8.570 4.957 3.085 6.852 . 0 0 "[ . 1 . 2]" 1
1524 1 76 GLY QA 1 86 LEU QB . . 5.850 3.842 2.095 4.923 . 0 0 "[ . 1 . 2]" 1
1525 1 76 GLY HA3 1 86 LEU HB3 . . 7.280 5.967 3.155 7.346 0.066 11 0 "[ . 1 . 2]" 1
1526 1 76 GLY QA 1 86 LEU HG . . 6.390 4.538 2.185 6.385 . 0 0 "[ . 1 . 2]" 1
1527 1 76 GLY QA 1 86 LEU QD . . 8.020 3.506 1.799 5.259 . 0 0 "[ . 1 . 2]" 1
1528 1 76 GLY HA2 1 86 LEU MD2 . . 9.620 4.463 1.987 6.732 . 0 0 "[ . 1 . 2]" 1
1529 1 76 GLY HA3 1 86 LEU MD2 . . 9.620 5.418 3.304 7.355 . 0 0 "[ . 1 . 2]" 1
1530 1 77 HIS HA 1 78 GLY QA . . 5.120 3.902 3.832 3.953 . 0 0 "[ . 1 . 2]" 1
1531 1 78 GLY H 1 84 CYS QB . . 6.240 4.566 3.770 5.551 . 0 0 "[ . 1 . 2]" 1
1532 1 78 GLY QA 1 80 ASN H . . 6.100 3.476 3.083 4.546 . 0 0 "[ . 1 . 2]" 1
1533 1 78 GLY QA 1 82 ASP HA . . 4.720 3.640 2.487 4.475 . 0 0 "[ . 1 . 2]" 1
1534 1 78 GLY QA 1 84 CYS H . . 5.340 4.448 3.407 5.438 0.098 7 0 "[ . 1 . 2]" 1
1535 1 79 ILE HA 1 79 ILE QG . . 3.940 2.570 2.394 3.031 . 0 0 "[ . 1 . 2]" 1
1536 1 79 ILE MG 1 80 ASN QB . . 6.120 3.137 2.583 4.022 . 0 0 "[ . 1 . 2]" 1
1537 1 79 ILE QG 1 80 ASN H . . 6.890 4.170 3.716 4.837 . 0 0 "[ . 1 . 2]" 1
1538 1 80 ASN HA 1 81 PRO QB . . 4.070 3.785 3.653 3.916 . 0 0 "[ . 1 . 2]" 1
1539 1 80 ASN QB 1 81 PRO HA . . 4.040 3.621 2.878 3.828 . 0 0 "[ . 1 . 2]" 1
1540 1 81 PRO QB 1 83 ASP H . . 4.960 2.393 1.871 2.890 . 0 0 "[ . 1 . 2]" 1
1541 1 81 PRO QB 1 84 CYS H . . 4.630 3.426 2.784 4.720 0.090 10 0 "[ . 1 . 2]" 1
1542 1 82 ASP H 1 82 ASP QB . . 3.550 2.608 2.224 3.252 . 0 0 "[ . 1 . 2]" 1
1543 1 83 ASP H 1 83 ASP QB . . 3.560 2.373 2.157 2.782 . 0 0 "[ . 1 . 2]" 1
1544 1 83 ASP QB 1 84 CYS H . . 4.300 3.198 2.269 3.903 . 0 0 "[ . 1 . 2]" 1
1545 1 84 CYS QB 1 85 CYS H . . 3.310 2.581 2.024 3.203 . 0 0 "[ . 1 . 2]" 1
1546 1 84 CYS QB 1 110 ALA HA . . 6.390 5.162 2.811 6.487 0.097 3 0 "[ . 1 . 2]" 1
1547 1 84 CYS QB 1 110 ALA MB . . 7.420 4.234 2.315 6.486 . 0 0 "[ . 1 . 2]" 1
1548 1 85 CYS QB 1 86 LEU HA . . 5.710 4.172 3.975 4.360 . 0 0 "[ . 1 . 2]" 1
1549 1 86 LEU H 1 86 LEU QB . . 3.690 2.754 2.365 3.131 . 0 0 "[ . 1 . 2]" 1
1550 1 86 LEU HA 1 108 ASN QB . . 6.390 3.624 2.131 6.461 0.071 15 0 "[ . 1 . 2]" 1
1551 1 86 LEU HA 1 108 ASN QD . . 5.690 3.906 2.795 4.940 . 0 0 "[ . 1 . 2]" 1
1552 1 87 ALA HA 1 88 GLU QB . . 4.590 4.299 3.867 4.608 0.018 17 0 "[ . 1 . 2]" 1
1553 1 87 ALA HA 1 108 ASN QD . . 5.290 2.970 2.158 3.789 . 0 0 "[ . 1 . 2]" 1
1554 1 87 ALA MB 1 107 PRO QB . . 5.270 3.771 2.473 5.079 . 0 0 "[ . 1 . 2]" 1
1555 1 87 ALA MB 1 108 ASN QB . . 6.360 2.719 1.824 4.147 . 0 0 "[ . 1 . 2]" 1
1556 1 88 GLU H 1 88 GLU QB . . 3.690 2.507 2.192 2.905 . 0 0 "[ . 1 . 2]" 1
1557 1 88 GLU QB 1 105 ILE MD . . 7.050 5.448 3.462 7.072 0.022 17 0 "[ . 1 . 2]" 1
1558 1 88 GLU QG 1 89 TYR H . . 5.100 3.722 2.616 4.437 . 0 0 "[ . 1 . 2]" 1
1559 1 88 GLU QG 1 105 ILE MD . . 6.800 5.614 4.195 6.831 0.031 1 0 "[ . 1 . 2]" 1
1560 1 89 TYR H 1 89 TYR QB . . 3.660 2.544 2.352 3.232 . 0 0 "[ . 1 . 2]" 1
1561 1 89 TYR HA 1 90 PRO QB . . 5.040 4.741 4.588 4.909 . 0 0 "[ . 1 . 2]" 1
1562 1 89 TYR HA 1 90 PRO QD . . 3.130 1.983 1.846 2.354 . 0 0 "[ . 1 . 2]" 1
1563 1 89 TYR HA 1 105 ILE QG . . 6.390 3.940 2.020 5.355 . 0 0 "[ . 1 . 2]" 1
1564 1 89 TYR QB 1 90 PRO QD . . 5.450 2.614 1.857 3.771 . 0 0 "[ . 1 . 2]" 1
1565 1 89 TYR HB3 1 90 PRO HD3 . . 6.560 3.640 3.026 4.851 . 0 0 "[ . 1 . 2]" 1
1566 1 89 TYR QB 1 91 VAL QG . . 8.020 3.984 2.590 5.352 . 0 0 "[ . 1 . 2]" 1
1567 1 89 TYR HB2 1 91 VAL MG2 . . 9.620 4.833 2.755 7.437 . 0 0 "[ . 1 . 2]" 1
1568 1 89 TYR HB3 1 91 VAL MG2 . . 9.620 5.342 3.206 7.895 . 0 0 "[ . 1 . 2]" 1
1569 1 89 TYR QB 1 100 VAL QG . . 6.160 3.013 1.908 5.329 . 0 0 "[ . 1 . 2]" 1
1570 1 90 PRO HA 1 91 VAL QG . . 7.540 3.508 3.269 3.675 . 0 0 "[ . 1 . 2]" 1
1571 1 90 PRO QB 1 91 VAL H . . 4.070 3.349 3.063 3.487 . 0 0 "[ . 1 . 2]" 1
1572 1 90 PRO QB 1 91 VAL QG . . 7.540 4.434 4.208 4.587 . 0 0 "[ . 1 . 2]" 1
1573 1 90 PRO QB 1 101 SER H . . 6.140 3.439 2.910 4.349 . 0 0 "[ . 1 . 2]" 1
1574 1 90 PRO QB 1 101 SER QB . . 5.910 2.615 1.936 3.720 . 0 0 "[ . 1 . 2]" 1
1575 1 90 PRO HB2 1 101 SER HB3 . . 7.160 2.979 1.982 4.593 . 0 0 "[ . 1 . 2]" 1
1576 1 90 PRO HB3 1 101 SER HB3 . . 7.160 4.459 3.556 6.269 . 0 0 "[ . 1 . 2]" 1
1577 1 90 PRO QB 1 105 ILE MD . . 5.630 4.286 3.674 4.997 . 0 0 "[ . 1 . 2]" 1
1578 1 90 PRO QG 1 101 SER QB . . 6.210 2.626 1.889 3.770 . 0 0 "[ . 1 . 2]" 1
1579 1 90 PRO QD 1 101 SER QB . . 6.330 2.542 1.952 3.808 . 0 0 "[ . 1 . 2]" 1
1580 1 90 PRO HD3 1 101 SER HB2 . . 7.290 5.586 3.715 7.207 . 0 0 "[ . 1 . 2]" 1
1581 1 90 PRO HD3 1 101 SER HB3 . . 7.290 4.336 3.546 5.638 . 0 0 "[ . 1 . 2]" 1
1582 1 90 PRO QD 1 105 ILE QG . . 7.250 3.144 1.887 4.358 . 0 0 "[ . 1 . 2]" 1
1583 1 90 PRO QD 1 105 ILE MD . . 4.550 2.138 1.842 2.863 . 0 0 "[ . 1 . 2]" 1
1584 1 91 VAL HA 1 92 GLU QB . . 5.430 4.092 3.782 4.465 . 0 0 "[ . 1 . 2]" 1
1585 1 91 VAL QG 1 92 GLU H . . 4.680 2.459 2.284 2.624 . 0 0 "[ . 1 . 2]" 1
1586 1 91 VAL QG 1 98 ILE MG . . 6.800 2.066 1.932 2.204 . 0 0 "[ . 1 . 2]" 1
1587 1 91 VAL QG 1 100 VAL H . . 8.570 4.404 3.998 4.833 . 0 0 "[ . 1 . 2]" 1
1588 1 91 VAL QG 1 100 VAL HA . . 7.140 3.040 2.670 3.437 . 0 0 "[ . 1 . 2]" 1
1589 1 91 VAL QG 1 101 SER H . . 8.570 4.207 3.514 4.749 . 0 0 "[ . 1 . 2]" 1
1590 1 92 GLU H 1 92 GLU QB . . 3.670 2.491 2.151 2.719 . 0 0 "[ . 1 . 2]" 1
1591 1 92 GLU H 1 99 TYR QB . . 5.680 3.470 2.599 4.857 . 0 0 "[ . 1 . 2]" 1
1592 1 92 GLU HA 1 93 VAL QG . . 5.030 3.496 3.118 3.668 . 0 0 "[ . 1 . 2]" 1
1593 1 92 GLU QB 1 93 VAL QG . . 8.020 4.505 4.205 4.756 . 0 0 "[ . 1 . 2]" 1
1594 1 92 GLU HB2 1 93 VAL MG1 . . 9.620 5.742 5.465 6.996 . 0 0 "[ . 1 . 2]" 1
1595 1 92 GLU HB3 1 93 VAL MG1 . . 9.620 5.414 4.719 6.263 . 0 0 "[ . 1 . 2]" 1
1596 1 92 GLU QB 1 99 TYR H . . 5.670 3.316 2.783 3.864 . 0 0 "[ . 1 . 2]" 1
1597 1 92 GLU QB 1 99 TYR QB . . 4.780 2.620 2.102 4.047 . 0 0 "[ . 1 . 2]" 1
1598 1 92 GLU QG 1 93 VAL QG . . 8.960 4.501 3.517 5.566 . 0 0 "[ . 1 . 2]" 1
1599 1 93 VAL QG 1 94 LYS H . . 4.380 2.805 2.522 3.049 . 0 0 "[ . 1 . 2]" 1
1600 1 93 VAL QG 1 94 LYS HA . . 7.660 3.428 3.206 3.704 . 0 0 "[ . 1 . 2]" 1
1601 1 93 VAL QG 1 94 LYS QB . . 8.960 4.293 4.081 4.561 . 0 0 "[ . 1 . 2]" 1
1602 1 93 VAL QG 1 95 GLY H . . 8.570 3.558 2.741 4.378 . 0 0 "[ . 1 . 2]" 1
1603 1 93 VAL QG 1 98 ILE HA . . 6.730 3.619 3.064 4.204 . 0 0 "[ . 1 . 2]" 1
1604 1 93 VAL QG 1 99 TYR H . . 7.450 4.712 4.037 5.076 . 0 0 "[ . 1 . 2]" 1
1605 1 94 LYS H 1 98 ILE QG . . 6.890 3.627 2.515 4.737 . 0 0 "[ . 1 . 2]" 1
1606 1 94 LYS HA 1 94 LYS QG . . 3.860 3.124 2.569 3.633 . 0 0 "[ . 1 . 2]" 1
1607 1 94 LYS QG 1 95 GLY H . . 6.890 4.358 2.154 4.817 . 0 0 "[ . 1 . 2]" 1
1608 1 94 LYS QD 1 98 ILE QG . . 5.700 4.450 4.210 4.973 . 0 0 "[ . 1 . 2]" 1
1609 1 94 LYS HD2 1 98 ILE HG13 . . 6.780 6.095 5.156 6.938 0.158 17 0 "[ . 1 . 2]" 1
1610 1 94 LYS HD3 1 98 ILE HG13 . . 6.780 5.795 5.089 6.933 0.153 7 0 "[ . 1 . 2]" 1
1611 1 94 LYS QD 1 98 ILE MD . . 5.710 5.544 3.437 5.847 0.137 15 0 "[ . 1 . 2]" 1
1612 1 94 LYS QE 1 98 ILE QG . . 6.330 5.329 4.835 5.818 . 0 0 "[ . 1 . 2]" 1
1613 1 94 LYS HE2 1 98 ILE HG13 . . 7.280 7.042 6.333 7.412 0.132 20 0 "[ . 1 . 2]" 1
1614 1 94 LYS HE3 1 98 ILE HG13 . . 7.280 6.837 5.838 7.457 0.177 11 0 "[ . 1 . 2]" 1
1615 1 94 LYS QE 1 98 ILE MD . . 7.420 6.340 4.314 7.068 . 0 0 "[ . 1 . 2]" 1
1616 1 95 GLY QA 1 96 ASP H . . 2.970 2.134 2.006 2.661 . 0 0 "[ . 1 . 2]" 1
1617 1 95 GLY QA 1 97 ASP H . . 4.060 3.504 3.133 3.995 . 0 0 "[ . 1 . 2]" 1
1618 1 96 ASP H 1 96 ASP QB . . 3.700 2.700 2.378 3.516 . 0 0 "[ . 1 . 2]" 1
1619 1 96 ASP H 1 97 ASP QB . . 5.740 4.295 3.498 5.397 . 0 0 "[ . 1 . 2]" 1
1620 1 96 ASP QB 1 97 ASP H . . 4.090 3.322 3.139 3.496 . 0 0 "[ . 1 . 2]" 1
1621 1 97 ASP H 1 97 ASP QB . . 3.370 2.509 2.327 2.751 . 0 0 "[ . 1 . 2]" 1
1622 1 97 ASP HA 1 98 ILE QG . . 6.140 3.601 3.334 3.877 . 0 0 "[ . 1 . 2]" 1
1623 1 97 ASP QB 1 98 ILE H . . 3.860 2.896 2.437 3.575 . 0 0 "[ . 1 . 2]" 1
1624 1 97 ASP QB 1 99 TYR QD . . 7.050 3.670 2.532 5.645 . 0 0 "[ . 1 . 2]" 1
1625 1 98 ILE H 1 98 ILE QG . . 4.650 3.006 2.812 3.303 . 0 0 "[ . 1 . 2]" 1
1626 1 98 ILE HA 1 98 ILE QG . . 3.910 2.385 2.136 3.133 . 0 0 "[ . 1 . 2]" 1
1627 1 98 ILE QG 1 99 TYR H . . 5.370 3.998 3.392 4.723 . 0 0 "[ . 1 . 2]" 1
1628 1 99 TYR H 1 99 TYR QB . . 3.510 2.495 2.316 3.084 . 0 0 "[ . 1 . 2]" 1
1629 1 100 VAL HA 1 101 SER QB . . 5.340 4.070 3.863 4.547 . 0 0 "[ . 1 . 2]" 1
1630 1 101 SER QB 1 102 THR H . . 4.280 3.740 3.396 3.906 . 0 0 "[ . 1 . 2]" 1
1631 1 102 THR H 1 103 LYS QB . . 4.520 3.741 3.348 4.046 . 0 0 "[ . 1 . 2]" 1
1632 1 103 LYS HA 1 103 LYS QG . . 3.940 2.639 2.359 2.964 . 0 0 "[ . 1 . 2]" 1
1633 1 103 LYS HA 1 104 GLY QA . . 5.090 3.894 3.839 4.132 . 0 0 "[ . 1 . 2]" 1
1634 1 103 LYS QB 1 104 GLY H . . 4.300 3.753 1.904 3.948 . 0 0 "[ . 1 . 2]" 1
1635 1 106 LEU HA 1 107 PRO QG . . 5.190 3.865 3.752 4.026 . 0 0 "[ . 1 . 2]" 1
1636 1 106 LEU HA 1 107 PRO QD . . 2.840 1.973 1.877 2.119 . 0 0 "[ . 1 . 2]" 1
1637 1 106 LEU QB 1 107 PRO QD . . 4.340 3.074 2.187 3.769 . 0 0 "[ . 1 . 2]" 1
1638 1 106 LEU HB2 1 107 PRO HD3 . . 5.450 4.760 3.231 5.261 . 0 0 "[ . 1 . 2]" 1
1639 1 106 LEU HG 1 107 PRO QD . . 4.810 3.382 2.069 4.825 0.015 2 0 "[ . 1 . 2]" 1
1640 1 106 LEU QD 1 107 PRO QG . . 7.530 4.150 2.448 5.373 . 0 0 "[ . 1 . 2]" 1
1641 1 106 LEU QD 1 107 PRO QD . . 6.280 2.966 1.896 3.925 . 0 0 "[ . 1 . 2]" 1
1642 1 107 PRO QB 1 108 ASN H . . 3.750 3.151 2.878 3.340 . 0 0 "[ . 1 . 2]" 1
1643 1 107 PRO QD 1 108 ASN H . . 5.490 4.932 4.809 5.034 . 0 0 "[ . 1 . 2]" 1
1644 1 108 ASN QB 1 109 LYS H . . 3.620 2.895 1.951 3.558 . 0 0 "[ . 1 . 2]" 1
1645 1 109 LYS H 1 109 LYS QB . . 3.370 2.557 2.212 3.173 . 0 0 "[ . 1 . 2]" 1
1646 1 111 HIS H 1 111 HIS QB . . 3.830 2.889 2.404 3.456 . 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 4
_Distance_constraint_stats_list.Viol_count 62
_Distance_constraint_stats_list.Viol_total 183.262
_Distance_constraint_stats_list.Viol_max 1.262
_Distance_constraint_stats_list.Viol_rms 0.1823
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1145
_Distance_constraint_stats_list.Viol_average_violations_only 0.1478
_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 45 CYS 5.741 1.262 14 3 "[* . 1 -+. 2]"
1 47 HIS 6.315 1.262 14 3 "[* . 1 -+. 2]"
1 64 CYS 2.848 0.476 5 0 "[ . 1 . 2]"
1 67 HIS 3.422 0.476 5 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 45 CYS SG 1 64 CYS SG . . 3.810 3.810 3.711 3.967 0.157 7 0 "[ . 1 . 2]" 2
2 1 47 HIS ND1 1 67 HIS ND1 . . 3.460 3.506 3.441 3.593 0.133 13 0 "[ . 1 . 2]" 2
3 1 45 CYS SG 1 47 HIS ND1 . . 4.800 5.068 4.786 6.062 1.262 14 3 "[* . 1 -+. 2]" 2
4 1 64 CYS SG 1 67 HIS ND1 . . 4.800 4.873 4.351 5.276 0.476 5 0 "[ . 1 . 2]" 2
stop_
save_
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