NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
537631 |
2laa   |
17518 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2laa
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 150
_Distance_constraint_stats_list.Viol_count 271
_Distance_constraint_stats_list.Viol_total 883.239
_Distance_constraint_stats_list.Viol_max 0.452
_Distance_constraint_stats_list.Viol_rms 0.0571
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0147
_Distance_constraint_stats_list.Viol_average_violations_only 0.1630
_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 4 GLY 0.154 0.073 5 0 "[ . 1 . 2]"
1 5 ASN 20.967 0.349 11 0 "[ . 1 . 2]"
1 6 LYS 17.044 0.452 18 0 "[ . 1 . 2]"
1 7 VAL 8.795 0.305 5 0 "[ . 1 . 2]"
1 8 THR 3.921 0.305 5 0 "[ . 1 . 2]"
1 9 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 THR 0.921 0.110 18 0 "[ . 1 . 2]"
1 50 VAL 0.999 0.225 12 0 "[ . 1 . 2]"
1 51 ASP 3.121 0.187 5 0 "[ . 1 . 2]"
1 52 ILE 10.516 0.307 14 0 "[ . 1 . 2]"
1 53 GLY 0.238 0.144 5 0 "[ . 1 . 2]"
1 55 ALA 3.069 0.277 5 0 "[ . 1 . 2]"
1 58 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 THR 0.196 0.082 1 0 "[ . 1 . 2]"
1 82 GLY 13.773 0.452 18 0 "[ . 1 . 2]"
1 83 THR 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 GLY H 1 5 ASN H . . 3.840 3.217 2.603 3.913 0.073 5 0 "[ . 1 . 2]" 1
2 1 4 GLY QA 1 5 ASN HD21 . . 6.580 4.922 3.876 5.592 . 0 0 "[ . 1 . 2]" 1
3 1 4 GLY QA 1 5 ASN HD22 . . 6.580 5.566 4.822 5.967 . 0 0 "[ . 1 . 2]" 1
4 1 5 ASN H 1 5 ASN HB2 . . 3.280 2.338 2.146 2.497 . 0 0 "[ . 1 . 2]" 1
5 1 5 ASN H 1 5 ASN HB3 . . 3.280 3.497 3.332 3.629 0.349 11 0 "[ . 1 . 2]" 1
6 1 5 ASN H 1 5 ASN QB . . 2.980 2.304 2.124 2.446 . 0 0 "[ . 1 . 2]" 1
7 1 5 ASN H 1 5 ASN HD21 . . 5.300 3.872 2.764 4.528 . 0 0 "[ . 1 . 2]" 1
8 1 5 ASN H 1 5 ASN HD22 . . 5.300 4.871 4.173 5.411 0.111 8 0 "[ . 1 . 2]" 1
9 1 5 ASN H 1 5 ASN QD . . 4.920 3.703 2.732 4.308 . 0 0 "[ . 1 . 2]" 1
10 1 5 ASN H 1 6 LYS H . . 10.200 4.542 4.455 4.653 . 0 0 "[ . 1 . 2]" 1
11 1 5 ASN H 1 52 ILE HB . . 5.700 5.774 5.383 5.897 0.197 12 0 "[ . 1 . 2]" 1
12 1 5 ASN H 1 52 ILE HG12 . . 5.700 4.070 3.650 4.731 . 0 0 "[ . 1 . 2]" 1
13 1 5 ASN H 1 52 ILE HG13 . . 5.700 3.901 3.404 4.410 . 0 0 "[ . 1 . 2]" 1
14 1 5 ASN H 1 52 ILE QG . . 5.090 3.535 3.129 4.054 . 0 0 "[ . 1 . 2]" 1
15 1 5 ASN H 1 52 ILE MD . . 6.730 5.065 4.594 5.696 . 0 0 "[ . 1 . 2]" 1
16 1 5 ASN H 1 53 GLY QA . . 4.630 1.835 1.742 2.188 . 0 0 "[ . 1 . 2]" 1
17 1 5 ASN H 1 55 ALA H . . 4.860 4.919 4.426 5.137 0.277 5 0 "[ . 1 . 2]" 1
18 1 5 ASN HA 1 5 ASN HD21 . . 4.460 2.914 1.894 3.985 . 0 0 "[ . 1 . 2]" 1
19 1 5 ASN HA 1 5 ASN HD22 . . 4.460 3.743 3.200 4.271 . 0 0 "[ . 1 . 2]" 1
20 1 5 ASN HA 1 5 ASN QD . . 4.080 2.767 1.881 3.662 . 0 0 "[ . 1 . 2]" 1
21 1 5 ASN HA 1 6 LYS H . . 2.600 2.477 2.424 2.527 . 0 0 "[ . 1 . 2]" 1
22 1 5 ASN HA 1 81 THR MG . . 4.710 3.830 3.669 3.985 . 0 0 "[ . 1 . 2]" 1
23 1 5 ASN HB2 1 5 ASN HD22 . . 4.270 3.809 3.445 4.158 . 0 0 "[ . 1 . 2]" 1
24 1 5 ASN HB2 1 6 LYS H . . 3.870 3.977 3.712 4.091 0.221 18 0 "[ . 1 . 2]" 1
25 1 5 ASN HB2 1 52 ILE MG . . 6.290 4.500 4.047 4.925 . 0 0 "[ . 1 . 2]" 1
26 1 5 ASN HB2 1 52 ILE HG12 . . 4.890 2.545 1.958 3.041 . 0 0 "[ . 1 . 2]" 1
27 1 5 ASN HB2 1 52 ILE HG13 . . 4.890 2.215 1.956 3.040 . 0 0 "[ . 1 . 2]" 1
28 1 5 ASN HB2 1 52 ILE MD . . 5.520 3.291 2.700 3.934 . 0 0 "[ . 1 . 2]" 1
29 1 5 ASN HB2 1 55 ALA H . . 5.700 4.236 3.667 4.538 . 0 0 "[ . 1 . 2]" 1
30 1 5 ASN HB2 1 81 THR MG . . 5.150 2.721 2.225 3.022 . 0 0 "[ . 1 . 2]" 1
31 1 5 ASN HB3 1 5 ASN HD22 . . 4.270 3.851 3.562 4.106 . 0 0 "[ . 1 . 2]" 1
32 1 5 ASN HB3 1 6 LYS H . . 3.870 2.668 2.550 2.778 . 0 0 "[ . 1 . 2]" 1
33 1 5 ASN HB3 1 52 ILE MG . . 6.290 4.340 4.009 4.777 . 0 0 "[ . 1 . 2]" 1
34 1 5 ASN HB3 1 52 ILE HG12 . . 4.890 2.358 1.962 2.953 . 0 0 "[ . 1 . 2]" 1
35 1 5 ASN HB3 1 52 ILE HG13 . . 4.890 2.941 1.995 3.594 . 0 0 "[ . 1 . 2]" 1
36 1 5 ASN HB3 1 52 ILE MD . . 5.520 2.998 2.318 3.341 . 0 0 "[ . 1 . 2]" 1
37 1 5 ASN HB3 1 55 ALA H . . 5.700 5.637 5.080 5.811 0.111 4 0 "[ . 1 . 2]" 1
38 1 5 ASN HB3 1 81 THR MG . . 5.150 1.836 1.753 1.931 . 0 0 "[ . 1 . 2]" 1
39 1 5 ASN QB 1 6 LYS H . . 3.500 2.629 2.519 2.735 . 0 0 "[ . 1 . 2]" 1
40 1 5 ASN QB 1 52 ILE H . . 6.550 3.088 2.498 3.680 . 0 0 "[ . 1 . 2]" 1
41 1 5 ASN QB 1 52 ILE MG . . 6.170 3.918 3.629 4.265 . 0 0 "[ . 1 . 2]" 1
42 1 5 ASN QB 1 52 ILE QG . . 4.480 1.883 1.649 2.296 . 0 0 "[ . 1 . 2]" 1
43 1 5 ASN QB 1 52 ILE MD . . 5.350 2.769 2.236 3.168 . 0 0 "[ . 1 . 2]" 1
44 1 5 ASN QB 1 81 THR HA . . 6.580 3.779 3.539 4.098 . 0 0 "[ . 1 . 2]" 1
45 1 5 ASN QB 1 81 THR HB . . 6.390 3.131 2.669 3.718 . 0 0 "[ . 1 . 2]" 1
46 1 5 ASN QB 1 81 THR MG . . 4.770 1.806 1.720 1.910 . 0 0 "[ . 1 . 2]" 1
47 1 5 ASN QB 1 82 GLY H . . 6.580 4.842 4.562 5.131 . 0 0 "[ . 1 . 2]" 1
48 1 5 ASN HD21 1 6 LYS H . . 5.700 4.227 2.568 5.536 . 0 0 "[ . 1 . 2]" 1
49 1 5 ASN HD21 1 52 ILE HG12 . . 7.450 4.840 4.121 5.301 . 0 0 "[ . 1 . 2]" 1
50 1 5 ASN HD21 1 52 ILE HG13 . . 7.450 4.554 3.254 5.472 . 0 0 "[ . 1 . 2]" 1
51 1 5 ASN HD21 1 52 ILE MD . . 6.730 4.585 3.561 5.076 . 0 0 "[ . 1 . 2]" 1
52 1 5 ASN HD21 1 81 THR MG . . 5.800 2.900 2.334 3.326 . 0 0 "[ . 1 . 2]" 1
53 1 5 ASN HD22 1 6 LYS H . . 5.700 5.212 4.279 5.833 0.133 10 0 "[ . 1 . 2]" 1
54 1 5 ASN HD22 1 52 ILE HG12 . . 7.450 5.853 5.346 6.309 . 0 0 "[ . 1 . 2]" 1
55 1 5 ASN HD22 1 52 ILE HG13 . . 7.450 5.432 4.422 6.099 . 0 0 "[ . 1 . 2]" 1
56 1 5 ASN HD22 1 52 ILE MD . . 6.730 5.106 4.235 5.463 . 0 0 "[ . 1 . 2]" 1
57 1 5 ASN HD22 1 81 THR MG . . 5.800 3.020 2.652 3.357 . 0 0 "[ . 1 . 2]" 1
58 1 5 ASN QD 1 52 ILE QG . . 6.520 3.906 3.085 4.449 . 0 0 "[ . 1 . 2]" 1
59 1 5 ASN QD 1 52 ILE MD . . 6.520 4.268 3.386 4.673 . 0 0 "[ . 1 . 2]" 1
60 1 5 ASN QD 1 81 THR MG . . 5.620 2.616 2.226 2.977 . 0 0 "[ . 1 . 2]" 1
61 1 5 ASN O 1 52 ILE N . . 2.700 2.926 2.825 3.007 0.307 14 0 "[ . 1 . 2]" 1
62 1 5 ASN O 1 52 ILE H . . 1.800 2.005 1.844 2.080 0.280 10 0 "[ . 1 . 2]" 1
63 1 6 LYS H 1 6 LYS QB . . 3.630 2.552 2.449 2.591 . 0 0 "[ . 1 . 2]" 1
64 1 6 LYS H 1 7 VAL H . . 10.200 4.423 4.373 4.475 . 0 0 "[ . 1 . 2]" 1
65 1 6 LYS H 1 52 ILE MG . . 6.390 5.287 5.188 5.368 . 0 0 "[ . 1 . 2]" 1
66 1 6 LYS H 1 52 ILE MD . . 6.730 4.694 4.096 5.038 . 0 0 "[ . 1 . 2]" 1
67 1 6 LYS H 1 81 THR HA . . 4.400 4.319 4.166 4.482 0.082 1 0 "[ . 1 . 2]" 1
68 1 6 LYS H 1 81 THR HB . . 5.700 3.582 3.334 3.809 . 0 0 "[ . 1 . 2]" 1
69 1 6 LYS HA 1 6 LYS HD2 . . 5.080 3.395 2.299 4.225 . 0 0 "[ . 1 . 2]" 1
70 1 6 LYS HA 1 6 LYS HD3 . . 5.080 3.042 2.132 4.403 . 0 0 "[ . 1 . 2]" 1
71 1 6 LYS HA 1 6 LYS QD . . 4.320 2.719 2.106 3.267 . 0 0 "[ . 1 . 2]" 1
72 1 6 LYS HA 1 7 VAL H . . 2.600 2.295 2.236 2.370 . 0 0 "[ . 1 . 2]" 1
73 1 6 LYS HA 1 49 THR MG . . 5.640 4.331 4.088 4.557 . 0 0 "[ . 1 . 2]" 1
74 1 6 LYS HA 1 50 VAL H . . 10.200 4.829 4.598 5.072 . 0 0 "[ . 1 . 2]" 1
75 1 6 LYS HA 1 51 ASP HA . . 3.130 1.999 1.921 2.085 . 0 0 "[ . 1 . 2]" 1
76 1 6 LYS HA 1 51 ASP QB . . 6.580 3.641 3.459 3.832 . 0 0 "[ . 1 . 2]" 1
77 1 6 LYS HA 1 52 ILE H . . 3.410 3.123 2.795 3.437 0.027 7 0 "[ . 1 . 2]" 1
78 1 6 LYS HA 1 52 ILE MG . . 5.580 3.960 3.703 4.199 . 0 0 "[ . 1 . 2]" 1
79 1 6 LYS HA 1 53 GLY H . . 4.960 4.683 4.327 5.104 0.144 5 0 "[ . 1 . 2]" 1
80 1 6 LYS HB2 1 49 THR MG . . 5.150 4.309 4.143 4.423 . 0 0 "[ . 1 . 2]" 1
81 1 6 LYS HB3 1 49 THR MG . . 5.150 3.678 2.793 4.258 . 0 0 "[ . 1 . 2]" 1
82 1 6 LYS QB 1 49 THR MG . . 4.900 3.430 2.752 3.806 . 0 0 "[ . 1 . 2]" 1
83 1 6 LYS QB 1 52 ILE H . . 6.360 4.899 4.595 5.197 . 0 0 "[ . 1 . 2]" 1
84 1 6 LYS HG2 1 49 THR MG . . 5.890 3.112 1.940 4.863 . 0 0 "[ . 1 . 2]" 1
85 1 6 LYS HG2 1 51 ASP HA . . 5.110 4.283 2.667 5.175 0.065 11 0 "[ . 1 . 2]" 1
86 1 6 LYS HG3 1 49 THR MG . . 5.890 3.075 2.184 4.708 . 0 0 "[ . 1 . 2]" 1
87 1 6 LYS HG3 1 51 ASP HA . . 5.110 3.956 2.599 4.946 . 0 0 "[ . 1 . 2]" 1
88 1 6 LYS QG 1 7 VAL H . . 5.740 2.775 1.904 4.413 . 0 0 "[ . 1 . 2]" 1
89 1 6 LYS QG 1 49 THR MG . . 5.450 2.729 1.908 4.025 . 0 0 "[ . 1 . 2]" 1
90 1 6 LYS QG 1 51 ASP HA . . 4.540 3.338 2.579 4.019 . 0 0 "[ . 1 . 2]" 1
91 1 6 LYS HD2 1 51 ASP HA . . 4.860 3.729 2.849 4.709 . 0 0 "[ . 1 . 2]" 1
92 1 6 LYS HD3 1 51 ASP HA . . 4.860 3.222 2.156 4.815 . 0 0 "[ . 1 . 2]" 1
93 1 6 LYS QD 1 49 THR MG . . 5.250 2.197 1.937 2.699 . 0 0 "[ . 1 . 2]" 1
94 1 6 LYS QD 1 51 ASP HA . . 4.320 2.935 2.136 3.630 . 0 0 "[ . 1 . 2]" 1
95 1 6 LYS QD 1 52 ILE H . . 6.150 4.806 4.209 5.508 . 0 0 "[ . 1 . 2]" 1
96 1 6 LYS QE 1 49 THR MG . . 6.830 2.563 2.008 3.889 . 0 0 "[ . 1 . 2]" 1
97 1 6 LYS O 1 82 GLY N . . 2.700 3.080 3.022 3.152 0.452 18 0 "[ . 1 . 2]" 1
98 1 6 LYS O 1 82 GLY H . . 1.800 2.108 2.071 2.167 0.367 18 0 "[ . 1 . 2]" 1
99 1 7 VAL N 1 50 VAL O . . 2.700 2.681 2.614 2.802 0.102 12 0 "[ . 1 . 2]" 1
100 1 7 VAL H 1 49 THR HA . . 10.200 4.279 4.151 4.408 . 0 0 "[ . 1 . 2]" 1
101 1 7 VAL H 1 49 THR HB . . 5.700 5.742 5.628 5.810 0.110 18 0 "[ . 1 . 2]" 1
102 1 7 VAL H 1 49 THR MG . . 5.020 3.312 3.127 3.465 . 0 0 "[ . 1 . 2]" 1
103 1 7 VAL H 1 50 VAL H . . 3.190 2.875 2.641 3.017 . 0 0 "[ . 1 . 2]" 1
104 1 7 VAL H 1 50 VAL HA . . 5.700 4.580 4.482 4.661 . 0 0 "[ . 1 . 2]" 1
105 1 7 VAL H 1 50 VAL MG1 . . 6.730 4.862 4.614 5.085 . 0 0 "[ . 1 . 2]" 1
106 1 7 VAL H 1 50 VAL MG2 . . 6.730 4.936 4.793 5.146 . 0 0 "[ . 1 . 2]" 1
107 1 7 VAL H 1 50 VAL QG . . 6.030 4.357 4.241 4.445 . 0 0 "[ . 1 . 2]" 1
108 1 7 VAL H 1 50 VAL O . . 1.800 1.838 1.779 2.025 0.225 12 0 "[ . 1 . 2]" 1
109 1 7 VAL H 1 51 ASP HA . . 3.620 3.054 2.977 3.133 . 0 0 "[ . 1 . 2]" 1
110 1 7 VAL H 1 51 ASP HB2 . . 5.700 5.029 4.900 5.123 . 0 0 "[ . 1 . 2]" 1
111 1 7 VAL H 1 51 ASP HB3 . . 5.700 5.848 5.777 5.887 0.187 5 0 "[ . 1 . 2]" 1
112 1 7 VAL HA 1 8 THR H . . 2.630 2.190 2.182 2.218 . 0 0 "[ . 1 . 2]" 1
113 1 7 VAL HA 1 8 THR HA . . 10.200 4.386 4.383 4.396 . 0 0 "[ . 1 . 2]" 1
114 1 7 VAL HA 1 81 THR HA . . 3.410 3.251 3.123 3.403 . 0 0 "[ . 1 . 2]" 1
115 1 7 VAL HA 1 82 GLY H . . 3.000 2.480 2.293 2.664 . 0 0 "[ . 1 . 2]" 1
116 1 7 VAL HA 1 83 THR HA . . 4.430 4.310 4.194 4.399 . 0 0 "[ . 1 . 2]" 1
117 1 7 VAL HB 1 8 THR H . . 4.030 4.226 4.162 4.335 0.305 5 0 "[ . 1 . 2]" 1
118 1 7 VAL HB 1 49 THR HA . . 5.700 4.879 4.757 5.049 . 0 0 "[ . 1 . 2]" 1
119 1 7 VAL HB 1 50 VAL H . . 4.060 3.261 3.137 3.441 . 0 0 "[ . 1 . 2]" 1
120 1 7 VAL HB 1 50 VAL QG . . 7.330 3.882 3.713 4.074 . 0 0 "[ . 1 . 2]" 1
121 1 7 VAL HB 1 82 GLY H . . 5.510 5.204 4.961 5.441 . 0 0 "[ . 1 . 2]" 1
122 1 7 VAL MG1 1 8 THR H . . 5.050 2.747 2.540 3.086 . 0 0 "[ . 1 . 2]" 1
123 1 7 VAL MG1 1 9 ILE HG12 . . 8.170 4.244 4.164 4.355 . 0 0 "[ . 1 . 2]" 1
124 1 7 VAL MG1 1 9 ILE HG13 . . 8.170 3.408 3.012 3.814 . 0 0 "[ . 1 . 2]" 1
125 1 7 VAL MG1 1 50 VAL MG1 . . 10.880 5.149 4.808 5.513 . 0 0 "[ . 1 . 2]" 1
126 1 7 VAL MG1 1 50 VAL MG2 . . 10.880 4.685 4.099 4.967 . 0 0 "[ . 1 . 2]" 1
127 1 7 VAL MG1 1 79 PHE HB2 . . 6.730 2.542 2.011 2.885 . 0 0 "[ . 1 . 2]" 1
128 1 7 VAL MG1 1 79 PHE HB3 . . 6.730 3.226 2.884 3.572 . 0 0 "[ . 1 . 2]" 1
129 1 7 VAL MG1 1 81 THR HA . . 5.330 3.210 2.824 3.993 . 0 0 "[ . 1 . 2]" 1
130 1 7 VAL MG2 1 8 THR H . . 5.050 4.240 3.848 4.371 . 0 0 "[ . 1 . 2]" 1
131 1 7 VAL MG2 1 9 ILE HG12 . . 8.170 6.808 6.622 6.878 . 0 0 "[ . 1 . 2]" 1
132 1 7 VAL MG2 1 9 ILE HG13 . . 8.170 6.067 5.669 6.439 . 0 0 "[ . 1 . 2]" 1
133 1 7 VAL MG2 1 50 VAL MG1 . . 10.880 4.475 4.065 5.022 . 0 0 "[ . 1 . 2]" 1
134 1 7 VAL MG2 1 50 VAL MG2 . . 10.880 5.115 4.904 5.354 . 0 0 "[ . 1 . 2]" 1
135 1 7 VAL MG2 1 79 PHE HB2 . . 6.730 4.247 3.793 4.544 . 0 0 "[ . 1 . 2]" 1
136 1 7 VAL MG2 1 79 PHE HB3 . . 6.730 5.112 4.689 5.384 . 0 0 "[ . 1 . 2]" 1
137 1 7 VAL MG2 1 81 THR HA . . 5.330 1.988 1.850 2.227 . 0 0 "[ . 1 . 2]" 1
138 1 7 VAL QG 1 8 THR H . . 4.590 2.713 2.521 3.019 . 0 0 "[ . 1 . 2]" 1
139 1 7 VAL QG 1 8 THR HA . . 7.420 3.982 3.419 4.239 . 0 0 "[ . 1 . 2]" 1
140 1 7 VAL QG 1 9 ILE QG . . 6.250 3.248 2.936 3.502 . 0 0 "[ . 1 . 2]" 1
141 1 7 VAL QG 1 9 ILE MD . . 9.320 2.066 1.854 2.462 . 0 0 "[ . 1 . 2]" 1
142 1 7 VAL QG 1 50 VAL QG . . 9.190 3.787 3.608 3.983 . 0 0 "[ . 1 . 2]" 1
143 1 7 VAL QG 1 58 LEU QB . . 7.560 2.136 1.883 2.421 . 0 0 "[ . 1 . 2]" 1
144 1 7 VAL QG 1 58 LEU QD . . 9.460 1.959 1.720 2.332 . 0 0 "[ . 1 . 2]" 1
145 1 7 VAL QG 1 79 PHE QB . . 5.510 2.425 1.974 2.702 . 0 0 "[ . 1 . 2]" 1
146 1 7 VAL QG 1 80 SER HA . . 7.670 3.757 3.489 3.972 . 0 0 "[ . 1 . 2]" 1
147 1 7 VAL QG 1 81 THR H . . 6.580 3.360 3.136 3.547 . 0 0 "[ . 1 . 2]" 1
148 1 7 VAL QG 1 81 THR HA . . 4.370 1.967 1.835 2.182 . 0 0 "[ . 1 . 2]" 1
149 1 7 VAL QG 1 81 THR HB . . 6.990 3.798 3.395 4.033 . 0 0 "[ . 1 . 2]" 1
150 1 7 VAL QG 1 82 GLY H . . 6.300 2.921 2.686 3.177 . 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 1757
_Distance_constraint_stats_list.Viol_count 3517
_Distance_constraint_stats_list.Viol_total 9176.225
_Distance_constraint_stats_list.Viol_max 0.651
_Distance_constraint_stats_list.Viol_rms 0.0499
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0131
_Distance_constraint_stats_list.Viol_average_violations_only 0.1305
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 ILE 12.075 0.414 18 0 "[ . 1 . 2]"
1 10 TYR 9.184 0.243 7 0 "[ . 1 . 2]"
1 11 TYR 14.390 0.420 5 0 "[ . 1 . 2]"
1 12 LYS 15.501 0.387 3 0 "[ . 1 . 2]"
1 13 LYS 16.513 0.369 18 0 "[ . 1 . 2]"
1 14 GLY 3.339 0.255 13 0 "[ . 1 . 2]"
1 15 PHE 5.747 0.192 5 0 "[ . 1 . 2]"
1 16 ASN 6.519 0.268 7 0 "[ . 1 . 2]"
1 17 SER 4.654 0.268 7 0 "[ . 1 . 2]"
1 18 PRO 12.237 0.369 1 0 "[ . 1 . 2]"
1 19 TYR 15.823 0.379 15 0 "[ . 1 . 2]"
1 20 ILE 9.590 0.332 15 0 "[ . 1 . 2]"
1 21 HIS 16.191 0.433 16 0 "[ . 1 . 2]"
1 22 TYR 9.263 0.289 3 0 "[ . 1 . 2]"
1 23 ARG 13.152 0.453 18 0 "[ . 1 . 2]"
1 24 PRO 1.864 0.215 16 0 "[ . 1 . 2]"
1 25 ALA 15.189 0.324 19 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLY 2.409 0.205 8 0 "[ . 1 . 2]"
1 28 SER 1.996 0.205 8 0 "[ . 1 . 2]"
1 29 TRP 12.439 0.300 20 0 "[ . 1 . 2]"
1 30 THR 12.348 0.300 20 0 "[ . 1 . 2]"
1 31 ALA 1.725 0.142 10 0 "[ . 1 . 2]"
1 32 ALA 2.337 0.239 17 0 "[ . 1 . 2]"
1 33 PRO 0.129 0.081 8 0 "[ . 1 . 2]"
1 34 GLY 1.555 0.137 8 0 "[ . 1 . 2]"
1 35 VAL 6.183 0.332 15 0 "[ . 1 . 2]"
1 36 LYS 1.175 0.156 18 0 "[ . 1 . 2]"
1 37 MET 15.057 0.369 1 0 "[ . 1 . 2]"
1 38 GLN 13.038 0.269 11 0 "[ . 1 . 2]"
1 39 ASP 4.165 0.168 5 0 "[ . 1 . 2]"
1 40 ALA 18.811 0.444 12 0 "[ . 1 . 2]"
1 41 GLU 2.010 0.133 10 0 "[ . 1 . 2]"
1 42 ILE 2.734 0.133 10 0 "[ . 1 . 2]"
1 43 SER 0.363 0.087 18 0 "[ . 1 . 2]"
1 44 GLY 13.219 0.369 18 0 "[ . 1 . 2]"
1 45 TYR 16.258 0.444 12 0 "[ . 1 . 2]"
1 46 ALA 13.984 0.420 5 0 "[ . 1 . 2]"
1 47 LYS 21.977 0.286 18 0 "[ . 1 . 2]"
1 48 ILE 10.986 0.414 18 0 "[ . 1 . 2]"
1 49 THR 2.913 0.221 11 0 "[ . 1 . 2]"
1 50 VAL 2.913 0.221 11 0 "[ . 1 . 2]"
1 51 ASP 9.744 0.385 6 0 "[ . 1 . 2]"
1 52 ILE 11.248 0.401 10 0 "[ . 1 . 2]"
1 53 GLY 13.867 0.411 11 0 "[ . 1 . 2]"
1 54 SER 8.087 0.411 11 0 "[ . 1 . 2]"
1 55 ALA 6.422 0.210 17 0 "[ . 1 . 2]"
1 56 SER 2.399 0.156 12 0 "[ . 1 . 2]"
1 57 GLN 26.836 0.413 13 0 "[ . 1 . 2]"
1 58 LEU 9.083 0.338 11 0 "[ . 1 . 2]"
1 59 GLU 12.326 0.338 11 0 "[ . 1 . 2]"
1 60 ALA 23.939 0.393 19 0 "[ . 1 . 2]"
1 61 ALA 20.738 0.433 16 0 "[ . 1 . 2]"
1 62 PHE 18.311 0.330 19 0 "[ . 1 . 2]"
1 63 ASN 18.944 0.379 15 0 "[ . 1 . 2]"
1 64 ASP 17.167 0.376 20 0 "[ . 1 . 2]"
1 65 GLY 1.603 0.313 18 0 "[ . 1 . 2]"
1 66 ASN 9.126 0.442 10 0 "[ . 1 . 2]"
1 67 ASN 7.849 0.442 10 0 "[ . 1 . 2]"
1 68 ASN 24.062 0.376 20 0 "[ . 1 . 2]"
1 69 TRP 4.619 0.226 13 0 "[ . 1 . 2]"
1 70 ASP 12.909 0.330 19 0 "[ . 1 . 2]"
1 71 SER 5.656 0.226 3 0 "[ . 1 . 2]"
1 72 ASN 6.527 0.296 14 0 "[ . 1 . 2]"
1 73 ASN 2.844 0.296 14 0 "[ . 1 . 2]"
1 74 THR 8.493 0.223 9 0 "[ . 1 . 2]"
1 75 LYS 1.924 0.202 15 0 "[ . 1 . 2]"
1 76 ASN 8.820 0.361 15 0 "[ . 1 . 2]"
1 77 TYR 24.346 0.594 17 2 "[ . 1 . + *]"
1 78 SER 4.256 0.594 17 2 "[ . 1 . + *]"
1 79 PHE 6.528 0.330 13 0 "[ . 1 . 2]"
1 80 SER 5.250 0.211 4 0 "[ . 1 . 2]"
1 81 THR 7.796 0.413 13 0 "[ . 1 . 2]"
1 82 GLY 1.354 0.096 1 0 "[ . 1 . 2]"
1 83 THR 13.173 0.378 7 0 "[ . 1 . 2]"
1 84 SER 11.586 0.243 7 0 "[ . 1 . 2]"
1 85 THR 9.353 0.231 7 0 "[ . 1 . 2]"
1 86 TYR 24.622 0.387 3 0 "[ . 1 . 2]"
1 87 THR 11.754 0.194 11 0 "[ . 1 . 2]"
1 88 PRO 3.860 0.249 9 0 "[ . 1 . 2]"
1 89 GLY 10.255 0.249 9 0 "[ . 1 . 2]"
1 90 ASN 4.216 0.236 16 0 "[ . 1 . 2]"
1 91 SER 3.720 0.282 14 0 "[ . 1 . 2]"
1 92 GLY 1.930 0.258 3 0 "[ . 1 . 2]"
1 93 ASN 4.459 0.282 14 0 "[ . 1 . 2]"
1 94 ALA 4.215 0.651 9 2 "[ . +1 - 2]"
1 95 GLY 3.540 0.651 9 2 "[ . +1 - 2]"
1 96 THR 6.534 0.347 15 0 "[ . 1 . 2]"
1 97 ILE 10.268 0.259 7 0 "[ . 1 . 2]"
1 98 THR 12.383 0.259 7 0 "[ . 1 . 2]"
1 99 SER 3.641 0.186 6 0 "[ . 1 . 2]"
1 100 GLY 11.903 0.378 7 0 "[ . 1 . 2]"
1 101 ALA 1.869 0.146 5 0 "[ . 1 . 2]"
1 102 PRO 3.527 0.217 18 0 "[ . 1 . 2]"
1 103 ALA 3.653 0.217 18 0 "[ . 1 . 2]"
1 104 GLY 0.126 0.086 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 ILE H 1 9 ILE HB . . 2.970 2.562 2.478 2.582 . 0 0 "[ . 1 . 2]" 2
2 1 9 ILE H 1 9 ILE MD . . 5.700 3.413 2.937 3.755 . 0 0 "[ . 1 . 2]" 2
3 1 9 ILE H 1 10 TYR H . . 4.120 4.231 4.210 4.283 0.163 18 0 "[ . 1 . 2]" 2
4 1 9 ILE H 1 47 LYS HA . . 10.200 4.575 4.399 4.681 . 0 0 "[ . 1 . 2]" 2
5 1 9 ILE H 1 48 ILE H . . 3.160 2.755 2.608 2.831 . 0 0 "[ . 1 . 2]" 2
6 1 9 ILE H 1 48 ILE MG . . 4.650 2.502 2.154 2.790 . 0 0 "[ . 1 . 2]" 2
7 1 9 ILE H 1 48 ILE O . . 1.800 1.728 1.657 1.804 0.004 12 0 "[ . 1 . 2]" 2
8 1 9 ILE H 1 50 VAL H . . 10.200 4.888 4.707 5.047 . 0 0 "[ . 1 . 2]" 2
9 1 9 ILE HA 1 9 ILE HG12 . . 4.270 3.091 2.812 3.373 . 0 0 "[ . 1 . 2]" 2
10 1 9 ILE HA 1 9 ILE HG13 . . 4.270 2.132 2.051 2.327 . 0 0 "[ . 1 . 2]" 2
11 1 9 ILE HA 1 10 TYR QB . . 4.880 4.192 4.148 4.213 . 0 0 "[ . 1 . 2]" 2
12 1 9 ILE HA 1 85 THR HA . . 10.200 4.109 3.986 4.241 . 0 0 "[ . 1 . 2]" 2
13 1 9 ILE HB 1 48 ILE MG . . 4.680 1.919 1.813 2.030 . 0 0 "[ . 1 . 2]" 2
14 1 9 ILE MG 1 10 TYR H . . 4.530 2.835 2.654 2.954 . 0 0 "[ . 1 . 2]" 2
15 1 9 ILE MG 1 11 TYR QB . . 7.020 3.163 3.070 3.238 . 0 0 "[ . 1 . 2]" 2
16 1 9 ILE MG 1 84 SER H . . 6.600 4.796 4.667 4.976 . 0 0 "[ . 1 . 2]" 2
17 1 9 ILE MG 1 85 THR HA . . 6.420 4.148 4.023 4.375 . 0 0 "[ . 1 . 2]" 2
18 1 9 ILE MG 1 86 TYR H . . 6.730 3.922 3.790 4.094 . 0 0 "[ . 1 . 2]" 2
19 1 9 ILE HG12 1 10 TYR H . . 5.270 4.615 4.382 4.935 . 0 0 "[ . 1 . 2]" 2
20 1 9 ILE HG12 1 84 SER H . . 5.700 4.672 4.192 5.084 . 0 0 "[ . 1 . 2]" 2
21 1 9 ILE HG13 1 10 TYR H . . 5.270 4.141 3.938 4.443 . 0 0 "[ . 1 . 2]" 2
22 1 9 ILE HG13 1 84 SER H . . 5.700 3.186 2.999 3.419 . 0 0 "[ . 1 . 2]" 2
23 1 9 ILE QG 1 10 TYR H . . 4.830 3.849 3.782 3.930 . 0 0 "[ . 1 . 2]" 2
24 1 9 ILE QG 1 48 ILE H . . 6.580 5.740 5.581 5.873 . 0 0 "[ . 1 . 2]" 2
25 1 9 ILE QG 1 84 SER H . . 4.950 3.133 2.966 3.334 . 0 0 "[ . 1 . 2]" 2
26 1 9 ILE QG 1 84 SER QB . . 7.450 3.228 2.789 3.499 . 0 0 "[ . 1 . 2]" 2
27 1 9 ILE MD 1 10 TYR H . . 6.730 5.157 4.916 5.268 . 0 0 "[ . 1 . 2]" 2
28 1 9 ILE MD 1 20 ILE MG . . 7.760 4.541 4.093 5.068 . 0 0 "[ . 1 . 2]" 2
29 1 9 ILE MD 1 20 ILE MD . . 6.270 3.374 2.832 4.041 . 0 0 "[ . 1 . 2]" 2
30 1 9 ILE MD 1 48 ILE H . . 6.730 5.395 5.075 5.567 . 0 0 "[ . 1 . 2]" 2
31 1 9 ILE MD 1 48 ILE MG . . 7.350 2.906 2.712 3.056 . 0 0 "[ . 1 . 2]" 2
32 1 9 ILE MD 1 50 VAL H . . 6.730 4.302 4.069 4.684 . 0 0 "[ . 1 . 2]" 2
33 1 9 ILE MD 1 50 VAL QG . . 9.320 3.610 3.330 3.940 . 0 0 "[ . 1 . 2]" 2
34 1 9 ILE MD 1 58 LEU MD1 . . 7.760 3.696 1.971 4.512 . 0 0 "[ . 1 . 2]" 2
35 1 9 ILE MD 1 58 LEU MD2 . . 7.760 2.763 2.202 4.247 . 0 0 "[ . 1 . 2]" 2
36 1 9 ILE MD 1 58 LEU QD . . 7.120 2.373 1.964 2.690 . 0 0 "[ . 1 . 2]" 2
37 1 9 ILE MD 1 60 ALA MB . . 7.760 2.569 1.811 3.284 . 0 0 "[ . 1 . 2]" 2
38 1 9 ILE MD 1 79 PHE H . . 6.730 4.930 4.592 5.246 . 0 0 "[ . 1 . 2]" 2
39 1 9 ILE MD 1 79 PHE HB2 . . 6.600 2.998 2.664 3.272 . 0 0 "[ . 1 . 2]" 2
40 1 9 ILE MD 1 79 PHE HB3 . . 6.600 3.602 3.031 4.231 . 0 0 "[ . 1 . 2]" 2
41 1 9 ILE MD 1 79 PHE QB . . 6.300 2.855 2.526 3.157 . 0 0 "[ . 1 . 2]" 2
42 1 9 ILE MD 1 79 PHE QD . . 8.110 2.606 1.922 3.355 . 0 0 "[ . 1 . 2]" 2
43 1 9 ILE MD 1 84 SER H . . 6.730 4.414 3.862 4.866 . 0 0 "[ . 1 . 2]" 2
44 1 9 ILE O 1 48 ILE N . . 2.700 2.842 2.804 2.895 0.195 18 0 "[ . 1 . 2]" 2
45 1 9 ILE O 1 48 ILE H . . 1.800 2.150 2.093 2.214 0.414 18 0 "[ . 1 . 2]" 2
46 1 10 TYR N 1 84 SER O . . 2.700 2.815 2.699 2.943 0.243 7 0 "[ . 1 . 2]" 2
47 1 10 TYR H 1 10 TYR HB2 . . 3.410 2.310 2.284 2.338 . 0 0 "[ . 1 . 2]" 2
48 1 10 TYR H 1 10 TYR HB3 . . 3.410 3.554 3.537 3.570 0.160 19 0 "[ . 1 . 2]" 2
49 1 10 TYR H 1 10 TYR QB . . 3.150 2.283 2.257 2.309 . 0 0 "[ . 1 . 2]" 2
50 1 10 TYR H 1 10 TYR QE . . 6.100 5.029 4.783 5.071 . 0 0 "[ . 1 . 2]" 2
51 1 10 TYR H 1 11 TYR H . . 4.240 4.254 4.224 4.301 0.061 16 0 "[ . 1 . 2]" 2
52 1 10 TYR H 1 84 SER O . . 1.800 1.870 1.752 1.985 0.185 7 0 "[ . 1 . 2]" 2
53 1 10 TYR H 1 85 THR HA . . 3.160 2.453 2.288 2.606 . 0 0 "[ . 1 . 2]" 2
54 1 10 TYR H 1 85 THR HB . . 5.700 5.364 5.132 5.578 . 0 0 "[ . 1 . 2]" 2
55 1 10 TYR H 1 85 THR MG . . 5.700 4.299 4.072 4.450 . 0 0 "[ . 1 . 2]" 2
56 1 10 TYR H 1 86 TYR H . . 3.810 3.533 3.454 3.628 . 0 0 "[ . 1 . 2]" 2
57 1 10 TYR HA 1 11 TYR H . . 2.660 2.195 2.190 2.201 . 0 0 "[ . 1 . 2]" 2
58 1 10 TYR HA 1 47 LYS HA . . 3.340 2.304 2.230 2.542 . 0 0 "[ . 1 . 2]" 2
59 1 10 TYR HA 1 47 LYS HB2 . . 5.700 5.155 5.074 5.217 . 0 0 "[ . 1 . 2]" 2
60 1 10 TYR HA 1 47 LYS HB3 . . 5.700 4.501 4.294 5.263 . 0 0 "[ . 1 . 2]" 2
61 1 10 TYR HA 1 48 ILE H . . 3.930 3.608 3.473 3.773 . 0 0 "[ . 1 . 2]" 2
62 1 10 TYR HB2 1 85 THR HA . . 4.580 2.487 2.351 2.646 . 0 0 "[ . 1 . 2]" 2
63 1 10 TYR HB2 1 85 THR MG . . 5.300 3.199 2.951 3.384 . 0 0 "[ . 1 . 2]" 2
64 1 10 TYR HB2 1 86 TYR H . . 5.700 3.720 3.612 3.835 . 0 0 "[ . 1 . 2]" 2
65 1 10 TYR HB2 1 102 PRO HG2 . . 5.700 4.938 4.351 5.127 . 0 0 "[ . 1 . 2]" 2
66 1 10 TYR HB2 1 102 PRO HG3 . . 5.700 4.241 3.344 4.514 . 0 0 "[ . 1 . 2]" 2
67 1 10 TYR HB3 1 85 THR HA . . 4.580 3.947 3.745 4.094 . 0 0 "[ . 1 . 2]" 2
68 1 10 TYR HB3 1 85 THR MG . . 5.300 3.709 3.345 3.980 . 0 0 "[ . 1 . 2]" 2
69 1 10 TYR HB3 1 86 TYR H . . 5.700 4.439 4.345 4.553 . 0 0 "[ . 1 . 2]" 2
70 1 10 TYR HB3 1 102 PRO HG2 . . 5.700 4.306 3.362 4.484 . 0 0 "[ . 1 . 2]" 2
71 1 10 TYR HB3 1 102 PRO HG3 . . 5.700 3.991 2.629 4.311 . 0 0 "[ . 1 . 2]" 2
72 1 10 TYR QB 1 11 TYR H . . 4.530 3.597 3.541 3.638 . 0 0 "[ . 1 . 2]" 2
73 1 10 TYR QB 1 85 THR HA . . 4.220 2.462 2.330 2.615 . 0 0 "[ . 1 . 2]" 2
74 1 10 TYR QB 1 85 THR MG . . 5.080 3.020 2.767 3.208 . 0 0 "[ . 1 . 2]" 2
75 1 10 TYR QB 1 86 TYR H . . 5.190 3.540 3.449 3.645 . 0 0 "[ . 1 . 2]" 2
76 1 10 TYR QB 1 101 ALA HA . . 6.580 3.396 3.221 3.650 . 0 0 "[ . 1 . 2]" 2
77 1 10 TYR QB 1 102 PRO QG . . 5.510 3.393 2.454 3.531 . 0 0 "[ . 1 . 2]" 2
78 1 10 TYR QB 1 102 PRO QD . . 7.300 2.675 2.166 2.820 . 0 0 "[ . 1 . 2]" 2
79 1 10 TYR QD 1 11 TYR H . . 7.840 4.098 4.048 4.800 . 0 0 "[ . 1 . 2]" 2
80 1 10 TYR QD 1 40 ALA MB . . 8.870 4.252 3.237 4.432 . 0 0 "[ . 1 . 2]" 2
81 1 10 TYR QE 1 11 TYR H . . 7.830 6.304 6.262 6.572 . 0 0 "[ . 1 . 2]" 2
82 1 10 TYR QE 1 40 ALA MB . . 6.970 4.836 3.839 5.005 . 0 0 "[ . 1 . 2]" 2
83 1 10 TYR QE 1 42 ILE HG12 . . 7.830 5.232 4.469 5.512 . 0 0 "[ . 1 . 2]" 2
84 1 10 TYR QE 1 42 ILE HG13 . . 7.830 4.842 4.420 5.469 . 0 0 "[ . 1 . 2]" 2
85 1 10 TYR QE 1 42 ILE MD . . 7.680 3.741 2.197 4.468 . 0 0 "[ . 1 . 2]" 2
86 1 10 TYR QE 1 47 LYS HB2 . . 7.830 4.043 3.738 4.984 . 0 0 "[ . 1 . 2]" 2
87 1 10 TYR QE 1 47 LYS HB3 . . 7.830 2.420 2.021 4.936 . 0 0 "[ . 1 . 2]" 2
88 1 10 TYR QE 1 47 LYS HD2 . . 7.830 4.272 2.064 4.498 . 0 0 "[ . 1 . 2]" 2
89 1 10 TYR QE 1 47 LYS HD3 . . 7.830 4.687 3.121 4.854 . 0 0 "[ . 1 . 2]" 2
90 1 10 TYR QE 1 47 LYS QE . . 8.710 2.760 2.610 3.963 . 0 0 "[ . 1 . 2]" 2
91 1 10 TYR QE 1 83 THR MG . . 6.530 2.994 1.878 3.221 . 0 0 "[ . 1 . 2]" 2
92 1 10 TYR QE 1 101 ALA MB . . 7.000 1.916 1.778 2.884 . 0 0 "[ . 1 . 2]" 2
93 1 10 TYR QE 1 102 PRO HD2 . . 7.620 3.642 3.223 3.941 . 0 0 "[ . 1 . 2]" 2
94 1 10 TYR QE 1 102 PRO HD3 . . 7.620 4.643 4.219 5.030 . 0 0 "[ . 1 . 2]" 2
95 1 10 TYR QE 1 102 PRO QD . . 7.490 3.516 3.150 3.807 . 0 0 "[ . 1 . 2]" 2
96 1 10 TYR O 1 86 TYR N . . 2.700 2.605 2.569 2.666 . 0 0 "[ . 1 . 2]" 2
97 1 10 TYR O 1 86 TYR H . . 1.800 1.619 1.582 1.681 . 0 0 "[ . 1 . 2]" 2
98 1 11 TYR N 1 46 ALA O . . 2.700 2.848 2.799 2.915 0.215 5 0 "[ . 1 . 2]" 2
99 1 11 TYR H 1 11 TYR HB2 . . 3.310 3.025 2.894 3.222 . 0 0 "[ . 1 . 2]" 2
100 1 11 TYR H 1 11 TYR HB3 . . 3.310 2.132 2.074 2.197 . 0 0 "[ . 1 . 2]" 2
101 1 11 TYR H 1 11 TYR QB . . 3.040 2.091 2.051 2.134 . 0 0 "[ . 1 . 2]" 2
102 1 11 TYR H 1 45 TYR QB . . 6.020 4.506 4.344 4.729 . 0 0 "[ . 1 . 2]" 2
103 1 11 TYR H 1 45 TYR QD . . 7.160 4.267 3.904 5.386 . 0 0 "[ . 1 . 2]" 2
104 1 11 TYR H 1 46 ALA H . . 3.280 3.217 3.097 3.326 0.046 3 0 "[ . 1 . 2]" 2
105 1 11 TYR H 1 46 ALA MB . . 5.430 2.861 2.618 3.008 . 0 0 "[ . 1 . 2]" 2
106 1 11 TYR H 1 46 ALA O . . 1.800 2.157 2.111 2.220 0.420 5 0 "[ . 1 . 2]" 2
107 1 11 TYR H 1 47 LYS HA . . 3.380 3.575 3.538 3.666 0.286 18 0 "[ . 1 . 2]" 2
108 1 11 TYR H 1 47 LYS HG2 . . 5.700 5.214 5.029 5.475 . 0 0 "[ . 1 . 2]" 2
109 1 11 TYR H 1 47 LYS HG3 . . 5.700 4.758 4.654 5.097 . 0 0 "[ . 1 . 2]" 2
110 1 11 TYR H 1 47 LYS QG . . 5.240 4.409 4.294 4.689 . 0 0 "[ . 1 . 2]" 2
111 1 11 TYR H 1 48 ILE H . . 10.200 5.000 4.864 5.141 . 0 0 "[ . 1 . 2]" 2
112 1 11 TYR HA 1 12 LYS H . . 2.660 2.251 2.243 2.259 . 0 0 "[ . 1 . 2]" 2
113 1 11 TYR HA 1 86 TYR H . . 3.590 2.635 2.534 2.730 . 0 0 "[ . 1 . 2]" 2
114 1 11 TYR HA 1 86 TYR QD . . 7.840 3.566 3.313 4.006 . 0 0 "[ . 1 . 2]" 2
115 1 11 TYR QB 1 46 ALA H . . 6.580 3.952 3.816 4.090 . 0 0 "[ . 1 . 2]" 2
116 1 11 TYR QB 1 46 ALA MB . . 6.490 2.583 2.216 2.834 . 0 0 "[ . 1 . 2]" 2
117 1 11 TYR QB 1 86 TYR H . . 6.580 4.049 3.844 4.209 . 0 0 "[ . 1 . 2]" 2
118 1 11 TYR QD 1 12 LYS H . . 7.840 2.673 1.928 3.441 . 0 0 "[ . 1 . 2]" 2
119 1 11 TYR QD 1 13 LYS HA . . 7.840 4.126 3.653 4.627 . 0 0 "[ . 1 . 2]" 2
120 1 11 TYR QD 1 13 LYS QG . . 8.720 5.062 4.402 5.995 . 0 0 "[ . 1 . 2]" 2
121 1 11 TYR QD 1 15 PHE H . . 7.840 6.069 5.762 6.451 . 0 0 "[ . 1 . 2]" 2
122 1 11 TYR QD 1 18 PRO HG2 . . 7.840 2.646 2.421 3.078 . 0 0 "[ . 1 . 2]" 2
123 1 11 TYR QD 1 18 PRO HG3 . . 7.840 3.797 3.542 4.147 . 0 0 "[ . 1 . 2]" 2
124 1 11 TYR QD 1 46 ALA H . . 7.840 4.286 3.188 4.800 . 0 0 "[ . 1 . 2]" 2
125 1 11 TYR QD 1 46 ALA MB . . 7.880 2.482 1.790 2.998 . 0 0 "[ . 1 . 2]" 2
126 1 11 TYR QE 1 12 LYS H . . 7.830 4.018 3.619 4.599 . 0 0 "[ . 1 . 2]" 2
127 1 11 TYR QE 1 13 LYS HA . . 6.500 3.519 2.305 4.394 . 0 0 "[ . 1 . 2]" 2
128 1 11 TYR QE 1 13 LYS QB . . 8.710 5.331 4.075 6.034 . 0 0 "[ . 1 . 2]" 2
129 1 11 TYR QE 1 13 LYS HG2 . . 7.830 5.789 4.802 6.489 . 0 0 "[ . 1 . 2]" 2
130 1 11 TYR QE 1 13 LYS HG3 . . 7.830 4.702 3.294 5.683 . 0 0 "[ . 1 . 2]" 2
131 1 11 TYR QE 1 14 GLY H . . 7.830 3.086 2.522 3.668 . 0 0 "[ . 1 . 2]" 2
132 1 11 TYR QE 1 14 GLY HA2 . . 7.830 5.451 5.136 5.981 . 0 0 "[ . 1 . 2]" 2
133 1 11 TYR QE 1 14 GLY HA3 . . 7.830 4.346 4.089 5.125 . 0 0 "[ . 1 . 2]" 2
134 1 11 TYR QE 1 14 GLY QA . . 7.580 4.182 3.937 4.848 . 0 0 "[ . 1 . 2]" 2
135 1 11 TYR QE 1 15 PHE H . . 6.070 4.268 3.719 5.098 . 0 0 "[ . 1 . 2]" 2
136 1 11 TYR QE 1 18 PRO HG2 . . 7.830 2.275 1.977 2.880 . 0 0 "[ . 1 . 2]" 2
137 1 11 TYR QE 1 18 PRO HG3 . . 7.830 2.101 1.955 2.786 . 0 0 "[ . 1 . 2]" 2
138 1 11 TYR QE 1 46 ALA MB . . 8.860 3.962 2.933 4.545 . 0 0 "[ . 1 . 2]" 2
139 1 11 TYR O 1 46 ALA N . . 2.700 2.531 2.416 2.579 . 0 0 "[ . 1 . 2]" 2
140 1 11 TYR O 1 46 ALA H . . 1.800 1.634 1.581 1.666 . 0 0 "[ . 1 . 2]" 2
141 1 12 LYS N 1 86 TYR O . . 2.700 3.020 2.989 3.086 0.386 3 0 "[ . 1 . 2]" 2
142 1 12 LYS H 1 12 LYS QB . . 3.660 2.136 1.990 2.200 . 0 0 "[ . 1 . 2]" 2
143 1 12 LYS H 1 12 LYS HG2 . . 5.300 4.119 3.221 4.379 . 0 0 "[ . 1 . 2]" 2
144 1 12 LYS H 1 12 LYS HG3 . . 5.300 4.351 2.995 4.623 . 0 0 "[ . 1 . 2]" 2
145 1 12 LYS H 1 12 LYS QG . . 5.080 3.733 2.925 3.992 . 0 0 "[ . 1 . 2]" 2
146 1 12 LYS H 1 13 LYS H . . 10.200 4.640 4.636 4.645 . 0 0 "[ . 1 . 2]" 2
147 1 12 LYS H 1 45 TYR QD . . 7.530 3.946 3.735 5.046 . 0 0 "[ . 1 . 2]" 2
148 1 12 LYS H 1 86 TYR H . . 4.090 4.211 4.165 4.247 0.157 2 0 "[ . 1 . 2]" 2
149 1 12 LYS H 1 86 TYR QD . . 7.100 4.084 3.587 4.784 . 0 0 "[ . 1 . 2]" 2
150 1 12 LYS H 1 86 TYR O . . 1.800 2.131 2.095 2.187 0.387 3 0 "[ . 1 . 2]" 2
151 1 12 LYS H 1 87 THR HA . . 3.410 3.015 2.921 3.203 . 0 0 "[ . 1 . 2]" 2
152 1 12 LYS H 1 87 THR MG . . 6.050 4.672 4.489 4.978 . 0 0 "[ . 1 . 2]" 2
153 1 12 LYS HA 1 12 LYS HG2 . . 4.310 2.986 2.310 3.792 . 0 0 "[ . 1 . 2]" 2
154 1 12 LYS HA 1 12 LYS HG3 . . 4.310 3.109 2.147 3.492 . 0 0 "[ . 1 . 2]" 2
155 1 12 LYS HA 1 13 LYS QG . . 6.580 5.578 5.379 5.662 . 0 0 "[ . 1 . 2]" 2
156 1 12 LYS HA 1 45 TYR HA . . 3.410 2.619 2.520 2.716 . 0 0 "[ . 1 . 2]" 2
157 1 12 LYS HA 1 45 TYR QB . . 6.580 3.429 3.323 3.612 . 0 0 "[ . 1 . 2]" 2
158 1 12 LYS HA 1 45 TYR QD . . 7.250 2.768 2.663 3.125 . 0 0 "[ . 1 . 2]" 2
159 1 12 LYS HA 1 45 TYR QE . . 7.680 3.241 3.132 3.746 . 0 0 "[ . 1 . 2]" 2
160 1 12 LYS HA 1 46 ALA H . . 4.120 3.380 3.211 3.518 . 0 0 "[ . 1 . 2]" 2
161 1 12 LYS HB2 1 45 TYR QD . . 7.840 3.873 3.654 5.246 . 0 0 "[ . 1 . 2]" 2
162 1 12 LYS HB2 1 45 TYR QE . . 7.800 2.757 2.499 4.717 . 0 0 "[ . 1 . 2]" 2
163 1 12 LYS HB3 1 45 TYR QD . . 7.840 4.743 4.177 5.040 . 0 0 "[ . 1 . 2]" 2
164 1 12 LYS HB3 1 45 TYR QE . . 7.800 3.845 3.066 4.236 . 0 0 "[ . 1 . 2]" 2
165 1 12 LYS QB 1 45 TYR QE . . 7.430 2.642 2.465 3.561 . 0 0 "[ . 1 . 2]" 2
166 1 12 LYS QB 1 87 THR HA . . 4.600 2.690 2.457 2.996 . 0 0 "[ . 1 . 2]" 2
167 1 12 LYS HG2 1 13 LYS H . . 4.270 2.967 2.116 4.316 0.046 3 0 "[ . 1 . 2]" 2
168 1 12 LYS HG2 1 45 TYR QE . . 7.830 3.772 2.379 5.188 . 0 0 "[ . 1 . 2]" 2
169 1 12 LYS HG3 1 13 LYS H . . 4.270 3.335 2.180 4.119 . 0 0 "[ . 1 . 2]" 2
170 1 12 LYS HG3 1 45 TYR QE . . 7.830 3.234 2.208 4.607 . 0 0 "[ . 1 . 2]" 2
171 1 12 LYS QG 1 13 LYS H . . 4.110 2.373 2.106 3.750 . 0 0 "[ . 1 . 2]" 2
172 1 12 LYS QG 1 45 TYR QD . . 8.720 3.656 2.975 4.735 . 0 0 "[ . 1 . 2]" 2
173 1 12 LYS QG 1 87 THR MG . . 5.870 4.006 3.867 4.188 . 0 0 "[ . 1 . 2]" 2
174 1 12 LYS QD 1 45 TYR QD . . 8.720 4.869 3.591 5.527 . 0 0 "[ . 1 . 2]" 2
175 1 12 LYS QD 1 45 TYR QE . . 8.710 3.834 2.038 5.040 . 0 0 "[ . 1 . 2]" 2
176 1 12 LYS QD 1 87 THR MG . . 5.680 3.281 2.336 3.885 . 0 0 "[ . 1 . 2]" 2
177 1 13 LYS N 1 44 GLY O . . 2.700 2.981 2.960 3.018 0.318 18 0 "[ . 1 . 2]" 2
178 1 13 LYS H 1 13 LYS QD . . 6.110 4.436 4.346 4.542 . 0 0 "[ . 1 . 2]" 2
179 1 13 LYS H 1 13 LYS HE2 . . 5.580 4.911 4.435 5.313 . 0 0 "[ . 1 . 2]" 2
180 1 13 LYS H 1 13 LYS HE3 . . 5.580 5.227 4.872 5.462 . 0 0 "[ . 1 . 2]" 2
181 1 13 LYS H 1 13 LYS QE . . 5.380 4.490 4.212 4.711 . 0 0 "[ . 1 . 2]" 2
182 1 13 LYS H 1 14 GLY H . . 4.240 4.407 4.334 4.495 0.255 13 0 "[ . 1 . 2]" 2
183 1 13 LYS H 1 44 GLY QA . . 11.080 4.284 4.269 4.308 . 0 0 "[ . 1 . 2]" 2
184 1 13 LYS H 1 44 GLY O . . 1.800 2.136 2.123 2.169 0.369 18 0 "[ . 1 . 2]" 2
185 1 13 LYS H 1 45 TYR HA . . 3.130 1.823 1.792 1.868 . 0 0 "[ . 1 . 2]" 2
186 1 13 LYS H 1 45 TYR QB . . 6.580 3.956 3.892 4.106 . 0 0 "[ . 1 . 2]" 2
187 1 13 LYS H 1 45 TYR QD . . 7.840 3.290 2.852 3.700 . 0 0 "[ . 1 . 2]" 2
188 1 13 LYS H 1 46 ALA H . . 10.200 3.914 3.744 4.022 . 0 0 "[ . 1 . 2]" 2
189 1 13 LYS HA 1 13 LYS HD2 . . 5.700 4.366 4.238 4.997 . 0 0 "[ . 1 . 2]" 2
190 1 13 LYS HA 1 13 LYS HD3 . . 5.700 4.679 4.574 5.143 . 0 0 "[ . 1 . 2]" 2
191 1 13 LYS HA 1 14 GLY H . . 3.410 2.186 2.176 2.204 . 0 0 "[ . 1 . 2]" 2
192 1 13 LYS HA 1 14 GLY HA2 . . 10.200 4.404 4.401 4.410 . 0 0 "[ . 1 . 2]" 2
193 1 13 LYS HA 1 14 GLY HA3 . . 10.200 4.402 4.369 4.436 . 0 0 "[ . 1 . 2]" 2
194 1 13 LYS HA 1 15 PHE H . . 3.530 3.307 3.224 3.387 . 0 0 "[ . 1 . 2]" 2
195 1 13 LYS QB 1 14 GLY H . . 5.400 3.939 3.768 4.006 . 0 0 "[ . 1 . 2]" 2
196 1 13 LYS QB 1 14 GLY QA . . 11.080 4.315 4.247 4.654 . 0 0 "[ . 1 . 2]" 2
197 1 13 LYS QB 1 44 GLY QA . . 7.460 2.993 2.916 3.383 . 0 0 "[ . 1 . 2]" 2
198 1 13 LYS QB 1 45 TYR H . . 6.580 3.453 3.335 3.587 . 0 0 "[ . 1 . 2]" 2
199 1 13 LYS HG2 1 14 GLY H . . 5.700 3.810 3.490 4.212 . 0 0 "[ . 1 . 2]" 2
200 1 13 LYS HG3 1 14 GLY H . . 5.700 3.499 3.211 3.808 . 0 0 "[ . 1 . 2]" 2
201 1 13 LYS QG 1 14 GLY H . . 5.400 3.221 3.028 3.383 . 0 0 "[ . 1 . 2]" 2
202 1 13 LYS QG 1 16 ASN HA . . 5.840 2.601 2.410 2.930 . 0 0 "[ . 1 . 2]" 2
203 1 13 LYS QG 1 45 TYR HA . . 5.680 4.179 3.969 4.474 . 0 0 "[ . 1 . 2]" 2
204 1 13 LYS QG 1 46 ALA H . . 6.580 5.163 4.716 5.770 . 0 0 "[ . 1 . 2]" 2
205 1 13 LYS HD2 1 16 ASN HA . . 4.150 4.188 4.150 4.227 0.077 3 0 "[ . 1 . 2]" 2
206 1 13 LYS HD2 1 44 GLY HA2 . . 7.450 2.928 2.390 3.138 . 0 0 "[ . 1 . 2]" 2
207 1 13 LYS HD2 1 44 GLY HA3 . . 7.450 3.985 3.426 4.337 . 0 0 "[ . 1 . 2]" 2
208 1 13 LYS HD3 1 16 ASN HA . . 4.150 2.587 2.509 2.697 . 0 0 "[ . 1 . 2]" 2
209 1 13 LYS HD3 1 44 GLY HA2 . . 7.450 4.502 3.971 4.702 . 0 0 "[ . 1 . 2]" 2
210 1 13 LYS HD3 1 44 GLY HA3 . . 7.450 5.502 4.760 5.744 . 0 0 "[ . 1 . 2]" 2
211 1 13 LYS QD 1 16 ASN HA . . 3.680 2.564 2.490 2.667 . 0 0 "[ . 1 . 2]" 2
212 1 13 LYS QD 1 44 GLY QA . . 5.970 2.818 2.325 3.012 . 0 0 "[ . 1 . 2]" 2
213 1 13 LYS QD 1 45 TYR H . . 4.840 3.966 3.912 4.059 . 0 0 "[ . 1 . 2]" 2
214 1 13 LYS HE2 1 18 PRO HD2 . . 6.520 3.698 3.318 4.512 . 0 0 "[ . 1 . 2]" 2
215 1 13 LYS HE2 1 18 PRO HD3 . . 6.520 4.122 3.218 4.931 . 0 0 "[ . 1 . 2]" 2
216 1 13 LYS HE2 1 18 PRO QD . . 6.580 3.445 2.909 4.178 . 0 0 "[ . 1 . 2]" 2
217 1 13 LYS HE2 1 45 TYR H . . 5.700 5.057 4.294 5.730 0.030 5 0 "[ . 1 . 2]" 2
218 1 13 LYS HE3 1 18 PRO HD2 . . 6.520 5.256 4.554 6.017 . 0 0 "[ . 1 . 2]" 2
219 1 13 LYS HE3 1 18 PRO HD3 . . 6.520 5.710 4.870 6.367 . 0 0 "[ . 1 . 2]" 2
220 1 13 LYS HE3 1 18 PRO QD . . 6.580 4.855 4.181 5.501 . 0 0 "[ . 1 . 2]" 2
221 1 13 LYS HE3 1 45 TYR H . . 5.700 3.910 3.365 4.398 . 0 0 "[ . 1 . 2]" 2
222 1 13 LYS QE 1 18 PRO QD . . 5.580 3.375 2.858 4.058 . 0 0 "[ . 1 . 2]" 2
223 1 13 LYS QE 1 44 GLY QA . . 7.450 3.921 3.406 4.429 . 0 0 "[ . 1 . 2]" 2
224 1 13 LYS QE 1 46 ALA H . . 5.490 4.172 3.707 4.736 . 0 0 "[ . 1 . 2]" 2
225 1 14 GLY H 1 14 GLY HA2 . . 3.070 2.960 2.958 2.961 . 0 0 "[ . 1 . 2]" 2
226 1 14 GLY H 1 14 GLY HA3 . . 3.070 2.471 2.424 2.499 . 0 0 "[ . 1 . 2]" 2
227 1 14 GLY H 1 14 GLY QA . . 2.750 2.353 2.319 2.373 . 0 0 "[ . 1 . 2]" 2
228 1 14 GLY H 1 15 PHE H . . 3.810 2.058 1.881 2.222 . 0 0 "[ . 1 . 2]" 2
229 1 14 GLY HA2 1 88 PRO QG . . 6.020 4.918 4.589 5.442 . 0 0 "[ . 1 . 2]" 2
230 1 14 GLY HA3 1 88 PRO QG . . 6.020 4.001 3.519 4.455 . 0 0 "[ . 1 . 2]" 2
231 1 14 GLY QA 1 88 PRO QG . . 5.860 3.832 3.412 4.264 . 0 0 "[ . 1 . 2]" 2
232 1 15 PHE HA 1 64 ASP HB2 . . 5.700 5.769 5.723 5.837 0.137 4 0 "[ . 1 . 2]" 2
233 1 15 PHE HA 1 64 ASP HB3 . . 5.700 5.837 5.750 5.892 0.192 5 0 "[ . 1 . 2]" 2
234 1 15 PHE HB2 1 16 ASN H . . 3.870 2.450 2.213 2.704 . 0 0 "[ . 1 . 2]" 2
235 1 15 PHE HB2 1 17 SER H . . 3.900 3.759 3.381 3.959 0.059 7 0 "[ . 1 . 2]" 2
236 1 15 PHE HB2 1 18 PRO HA . . 4.210 4.221 4.139 4.286 0.076 13 0 "[ . 1 . 2]" 2
237 1 15 PHE HB2 1 18 PRO HB2 . . 7.450 4.322 4.193 4.465 . 0 0 "[ . 1 . 2]" 2
238 1 15 PHE HB2 1 18 PRO HB3 . . 7.450 2.795 2.688 2.859 . 0 0 "[ . 1 . 2]" 2
239 1 15 PHE HB2 1 64 ASP HA . . 5.270 4.273 3.943 4.897 . 0 0 "[ . 1 . 2]" 2
240 1 15 PHE HB2 1 64 ASP HB2 . . 5.550 4.526 4.316 4.868 . 0 0 "[ . 1 . 2]" 2
241 1 15 PHE HB2 1 64 ASP HB3 . . 5.550 4.313 3.847 4.558 . 0 0 "[ . 1 . 2]" 2
242 1 15 PHE HB3 1 16 ASN H . . 3.870 2.533 2.123 2.819 . 0 0 "[ . 1 . 2]" 2
243 1 15 PHE HB3 1 17 SER H . . 3.900 2.751 2.274 3.193 . 0 0 "[ . 1 . 2]" 2
244 1 15 PHE HB3 1 18 PRO HA . . 4.210 4.254 4.150 4.340 0.130 7 0 "[ . 1 . 2]" 2
245 1 15 PHE HB3 1 18 PRO HB2 . . 7.450 5.318 5.223 5.400 . 0 0 "[ . 1 . 2]" 2
246 1 15 PHE HB3 1 18 PRO HB3 . . 7.450 3.715 3.615 3.814 . 0 0 "[ . 1 . 2]" 2
247 1 15 PHE HB3 1 64 ASP HA . . 5.270 4.591 4.234 4.889 . 0 0 "[ . 1 . 2]" 2
248 1 15 PHE HB3 1 64 ASP HB2 . . 5.550 4.242 3.949 4.866 . 0 0 "[ . 1 . 2]" 2
249 1 15 PHE HB3 1 64 ASP HB3 . . 5.550 4.677 4.311 5.007 . 0 0 "[ . 1 . 2]" 2
250 1 15 PHE QB 1 16 ASN H . . 3.530 2.176 2.050 2.294 . 0 0 "[ . 1 . 2]" 2
251 1 15 PHE QB 1 17 SER H . . 3.580 2.679 2.242 3.062 . 0 0 "[ . 1 . 2]" 2
252 1 15 PHE QB 1 18 PRO HA . . 4.010 3.774 3.727 3.812 . 0 0 "[ . 1 . 2]" 2
253 1 15 PHE QB 1 18 PRO QB . . 6.440 2.684 2.588 2.742 . 0 0 "[ . 1 . 2]" 2
254 1 15 PHE QB 1 64 ASP HA . . 5.050 3.925 3.676 4.292 . 0 0 "[ . 1 . 2]" 2
255 1 15 PHE QB 1 64 ASP QB . . 5.220 3.485 3.408 3.623 . 0 0 "[ . 1 . 2]" 2
256 1 15 PHE QD 1 64 ASP HB2 . . 7.820 3.181 2.752 3.413 . 0 0 "[ . 1 . 2]" 2
257 1 15 PHE QD 1 64 ASP HB3 . . 7.820 3.226 3.033 3.373 . 0 0 "[ . 1 . 2]" 2
258 1 16 ASN H 1 16 ASN HA . . 3.030 2.575 2.536 2.609 . 0 0 "[ . 1 . 2]" 2
259 1 16 ASN H 1 16 ASN HD21 . . 5.700 4.776 3.305 5.463 . 0 0 "[ . 1 . 2]" 2
260 1 16 ASN H 1 16 ASN HD22 . . 5.700 5.295 4.216 5.836 0.136 9 0 "[ . 1 . 2]" 2
261 1 16 ASN H 1 17 SER H . . 3.030 2.563 1.925 2.951 . 0 0 "[ . 1 . 2]" 2
262 1 16 ASN HA 1 16 ASN HB2 . . 2.880 2.716 2.370 2.998 0.118 9 0 "[ . 1 . 2]" 2
263 1 16 ASN HA 1 16 ASN HB3 . . 2.880 2.561 2.363 3.032 0.152 2 0 "[ . 1 . 2]" 2
264 1 16 ASN HA 1 17 SER H . . 3.470 3.624 3.534 3.656 0.186 7 0 "[ . 1 . 2]" 2
265 1 16 ASN HA 1 18 PRO HD2 . . 5.700 4.875 4.766 5.047 . 0 0 "[ . 1 . 2]" 2
266 1 16 ASN HA 1 18 PRO HD3 . . 5.700 3.711 3.602 3.884 . 0 0 "[ . 1 . 2]" 2
267 1 16 ASN HA 1 18 PRO QD . . 6.580 3.602 3.501 3.763 . 0 0 "[ . 1 . 2]" 2
268 1 16 ASN QB 1 17 SER H . . 4.340 2.912 2.272 3.553 . 0 0 "[ . 1 . 2]" 2
269 1 16 ASN HD21 1 17 SER H . . 5.700 4.225 2.196 4.975 . 0 0 "[ . 1 . 2]" 2
270 1 16 ASN HD22 1 17 SER H . . 5.700 4.547 2.527 5.968 0.268 7 0 "[ . 1 . 2]" 2
271 1 17 SER H 1 18 PRO QD . . 6.080 2.417 2.039 2.626 . 0 0 "[ . 1 . 2]" 2
272 1 17 SER HA 1 18 PRO HD2 . . 3.410 2.443 2.426 2.460 . 0 0 "[ . 1 . 2]" 2
273 1 17 SER HA 1 18 PRO HD3 . . 3.410 2.750 2.726 2.773 . 0 0 "[ . 1 . 2]" 2
274 1 17 SER HA 1 18 PRO QD . . 3.210 2.286 2.268 2.303 . 0 0 "[ . 1 . 2]" 2
275 1 17 SER QB 1 19 TYR QE . . 8.710 4.384 2.938 5.132 . 0 0 "[ . 1 . 2]" 2
276 1 17 SER QB 1 36 LYS QD . . 7.450 2.789 1.963 4.842 . 0 0 "[ . 1 . 2]" 2
277 1 17 SER QB 1 36 LYS QE . . 7.450 3.169 1.781 5.124 . 0 0 "[ . 1 . 2]" 2
278 1 18 PRO HA 1 19 TYR H . . 2.690 2.284 2.229 2.363 . 0 0 "[ . 1 . 2]" 2
279 1 18 PRO HA 1 19 TYR QD . . 7.840 2.909 2.507 3.769 . 0 0 "[ . 1 . 2]" 2
280 1 18 PRO HA 1 19 TYR QE . . 7.830 4.141 3.804 4.712 . 0 0 "[ . 1 . 2]" 2
281 1 18 PRO HA 1 64 ASP HA . . 3.750 2.635 2.486 2.847 . 0 0 "[ . 1 . 2]" 2
282 1 18 PRO HB2 1 19 TYR H . . 3.750 3.128 2.897 3.306 . 0 0 "[ . 1 . 2]" 2
283 1 18 PRO HB3 1 19 TYR H . . 3.750 3.627 3.495 3.736 . 0 0 "[ . 1 . 2]" 2
284 1 18 PRO QB 1 63 ASN H . . 6.580 3.726 3.527 4.031 . 0 0 "[ . 1 . 2]" 2
285 1 18 PRO HG2 1 46 ALA MB . . 4.930 3.158 2.977 3.296 . 0 0 "[ . 1 . 2]" 2
286 1 18 PRO HG3 1 46 ALA MB . . 4.930 4.179 4.112 4.262 . 0 0 "[ . 1 . 2]" 2
287 1 18 PRO QG 1 46 ALA MB . . 4.560 3.069 2.911 3.191 . 0 0 "[ . 1 . 2]" 2
288 1 18 PRO QG 1 63 ASN H . . 6.580 5.503 5.312 5.807 . 0 0 "[ . 1 . 2]" 2
289 1 18 PRO HD2 1 46 ALA MB . . 5.830 3.375 3.205 3.535 . 0 0 "[ . 1 . 2]" 2
290 1 18 PRO HD3 1 46 ALA MB . . 5.830 4.459 4.299 4.595 . 0 0 "[ . 1 . 2]" 2
291 1 18 PRO O 1 37 MET N . . 2.700 2.967 2.887 3.069 0.369 1 0 "[ . 1 . 2]" 2
292 1 18 PRO O 1 37 MET H . . 1.800 2.075 1.974 2.167 0.367 16 0 "[ . 1 . 2]" 2
293 1 19 TYR N 1 63 ASN O . . 2.700 2.677 2.559 2.907 0.207 4 0 "[ . 1 . 2]" 2
294 1 19 TYR H 1 19 TYR HB2 . . 3.590 2.339 2.191 2.493 . 0 0 "[ . 1 . 2]" 2
295 1 19 TYR H 1 19 TYR HB3 . . 3.590 3.529 3.466 3.581 . 0 0 "[ . 1 . 2]" 2
296 1 19 TYR H 1 19 TYR QB . . 3.350 2.307 2.168 2.448 . 0 0 "[ . 1 . 2]" 2
297 1 19 TYR H 1 20 ILE H . . 10.200 4.578 4.548 4.610 . 0 0 "[ . 1 . 2]" 2
298 1 19 TYR H 1 62 PHE HA . . 10.200 5.718 5.327 6.046 . 0 0 "[ . 1 . 2]" 2
299 1 19 TYR H 1 63 ASN O . . 1.800 1.923 1.768 2.079 0.279 20 0 "[ . 1 . 2]" 2
300 1 19 TYR H 1 64 ASP HA . . 3.870 3.088 2.842 3.449 . 0 0 "[ . 1 . 2]" 2
301 1 19 TYR HA 1 20 ILE H . . 2.760 2.330 2.281 2.379 . 0 0 "[ . 1 . 2]" 2
302 1 19 TYR HA 1 20 ILE MG . . 5.770 3.899 3.418 4.206 . 0 0 "[ . 1 . 2]" 2
303 1 19 TYR HA 1 36 LYS HA . . 3.190 2.085 1.953 2.307 . 0 0 "[ . 1 . 2]" 2
304 1 19 TYR HA 1 37 MET H . . 3.130 2.745 2.369 3.166 0.036 8 0 "[ . 1 . 2]" 2
305 1 19 TYR HB2 1 20 ILE H . . 3.840 3.930 3.883 3.956 0.116 15 0 "[ . 1 . 2]" 2
306 1 19 TYR HB2 1 35 VAL H . . 5.700 5.234 4.902 5.728 0.028 15 0 "[ . 1 . 2]" 2
307 1 19 TYR HB2 1 63 ASN H . . 5.330 4.237 4.008 4.437 . 0 0 "[ . 1 . 2]" 2
308 1 19 TYR HB2 1 63 ASN HD21 . . 6.500 3.292 1.934 5.268 . 0 0 "[ . 1 . 2]" 2
309 1 19 TYR HB2 1 63 ASN HD22 . . 6.500 3.350 1.957 5.143 . 0 0 "[ . 1 . 2]" 2
310 1 19 TYR HB2 1 65 GLY H . . 5.420 3.613 2.689 3.813 . 0 0 "[ . 1 . 2]" 2
311 1 19 TYR HB3 1 20 ILE H . . 3.840 2.909 2.766 3.092 . 0 0 "[ . 1 . 2]" 2
312 1 19 TYR HB3 1 35 VAL H . . 5.700 3.721 3.460 4.142 . 0 0 "[ . 1 . 2]" 2
313 1 19 TYR HB3 1 63 ASN H . . 5.330 5.331 5.089 5.393 0.063 14 0 "[ . 1 . 2]" 2
314 1 19 TYR HB3 1 63 ASN HD21 . . 6.500 4.096 2.760 6.080 . 0 0 "[ . 1 . 2]" 2
315 1 19 TYR HB3 1 63 ASN HD22 . . 6.500 3.651 2.378 5.693 . 0 0 "[ . 1 . 2]" 2
316 1 19 TYR HB3 1 65 GLY H . . 5.420 5.284 4.428 5.481 0.061 14 0 "[ . 1 . 2]" 2
317 1 19 TYR QB 1 20 ILE H . . 3.590 2.835 2.715 2.982 . 0 0 "[ . 1 . 2]" 2
318 1 19 TYR QB 1 35 VAL H . . 5.490 3.646 3.398 4.049 . 0 0 "[ . 1 . 2]" 2
319 1 19 TYR QB 1 63 ASN H . . 4.900 4.080 3.897 4.241 . 0 0 "[ . 1 . 2]" 2
320 1 19 TYR QB 1 63 ASN QD . . 5.450 2.563 1.848 4.213 . 0 0 "[ . 1 . 2]" 2
321 1 19 TYR QB 1 65 GLY H . . 5.150 3.554 2.667 3.730 . 0 0 "[ . 1 . 2]" 2
322 1 19 TYR QD 1 20 ILE H . . 7.840 4.217 3.754 4.479 . 0 0 "[ . 1 . 2]" 2
323 1 19 TYR QD 1 33 PRO QB . . 8.720 2.739 1.888 3.380 . 0 0 "[ . 1 . 2]" 2
324 1 19 TYR QD 1 33 PRO HG2 . . 7.840 2.680 1.967 3.069 . 0 0 "[ . 1 . 2]" 2
325 1 19 TYR QD 1 33 PRO HG3 . . 7.840 3.923 2.833 4.483 . 0 0 "[ . 1 . 2]" 2
326 1 19 TYR QD 1 34 GLY H . . 7.840 5.138 4.394 5.704 . 0 0 "[ . 1 . 2]" 2
327 1 19 TYR QD 1 35 VAL HA . . 7.840 3.661 3.070 5.016 . 0 0 "[ . 1 . 2]" 2
328 1 19 TYR QD 1 36 LYS H . . 7.440 3.607 3.000 4.202 . 0 0 "[ . 1 . 2]" 2
329 1 19 TYR QD 1 36 LYS HA . . 7.840 3.445 1.977 3.985 . 0 0 "[ . 1 . 2]" 2
330 1 19 TYR QD 1 37 MET H . . 7.840 4.975 3.458 5.588 . 0 0 "[ . 1 . 2]" 2
331 1 19 TYR QD 1 63 ASN QD . . 8.710 4.416 3.446 5.856 . 0 0 "[ . 1 . 2]" 2
332 1 19 TYR QD 1 64 ASP HA . . 7.840 3.785 2.836 5.548 . 0 0 "[ . 1 . 2]" 2
333 1 19 TYR QD 1 65 GLY H . . 7.440 3.253 1.930 3.810 . 0 0 "[ . 1 . 2]" 2
334 1 19 TYR QE 1 20 ILE H . . 7.830 6.331 5.971 6.592 . 0 0 "[ . 1 . 2]" 2
335 1 19 TYR QE 1 33 PRO QB . . 8.710 4.182 3.624 4.698 . 0 0 "[ . 1 . 2]" 2
336 1 19 TYR QE 1 33 PRO HG2 . . 7.830 2.978 2.484 3.519 . 0 0 "[ . 1 . 2]" 2
337 1 19 TYR QE 1 33 PRO HG3 . . 7.830 4.099 3.093 4.802 . 0 0 "[ . 1 . 2]" 2
338 1 19 TYR QE 1 35 VAL HA . . 7.830 5.155 4.442 6.248 . 0 0 "[ . 1 . 2]" 2
339 1 19 TYR QE 1 36 LYS H . . 7.490 4.485 3.732 5.028 . 0 0 "[ . 1 . 2]" 2
340 1 19 TYR QE 1 36 LYS HA . . 7.830 4.592 3.815 5.140 . 0 0 "[ . 1 . 2]" 2
341 1 19 TYR QE 1 36 LYS HB2 . . 7.830 3.393 2.774 3.965 . 0 0 "[ . 1 . 2]" 2
342 1 19 TYR QE 1 36 LYS HB3 . . 7.830 4.746 3.844 5.430 . 0 0 "[ . 1 . 2]" 2
343 1 19 TYR QE 1 36 LYS QD . . 8.710 4.781 2.474 5.979 . 0 0 "[ . 1 . 2]" 2
344 1 19 TYR QE 1 37 MET H . . 7.830 6.286 5.304 6.922 . 0 0 "[ . 1 . 2]" 2
345 1 19 TYR QE 1 64 ASP HA . . 7.830 5.274 3.855 6.328 . 0 0 "[ . 1 . 2]" 2
346 1 19 TYR QE 1 65 GLY H . . 7.830 4.789 2.670 5.487 . 0 0 "[ . 1 . 2]" 2
347 1 19 TYR QE 1 65 GLY HA2 . . 7.830 3.834 2.217 4.600 . 0 0 "[ . 1 . 2]" 2
348 1 19 TYR QE 1 65 GLY HA3 . . 7.830 2.852 2.378 3.902 . 0 0 "[ . 1 . 2]" 2
349 1 19 TYR QE 1 65 GLY QA . . 7.520 2.572 2.202 2.948 . 0 0 "[ . 1 . 2]" 2
350 1 19 TYR QE 1 66 ASN H . . 7.830 5.160 4.591 5.808 . 0 0 "[ . 1 . 2]" 2
351 1 19 TYR O 1 63 ASN N . . 2.700 2.901 2.736 2.995 0.295 15 0 "[ . 1 . 2]" 2
352 1 19 TYR O 1 63 ASN H . . 1.800 2.104 2.069 2.179 0.379 15 0 "[ . 1 . 2]" 2
353 1 20 ILE N 1 35 VAL O . . 2.700 2.750 2.638 2.923 0.223 16 0 "[ . 1 . 2]" 2
354 1 20 ILE H 1 20 ILE HB . . 3.560 3.024 2.847 3.286 . 0 0 "[ . 1 . 2]" 2
355 1 20 ILE H 1 21 HIS H . . 4.180 4.214 4.175 4.256 0.076 8 0 "[ . 1 . 2]" 2
356 1 20 ILE H 1 35 VAL H . . 3.130 2.287 2.015 2.861 . 0 0 "[ . 1 . 2]" 2
357 1 20 ILE H 1 35 VAL O . . 1.800 1.825 1.699 2.018 0.218 16 0 "[ . 1 . 2]" 2
358 1 20 ILE H 1 36 LYS HA . . 3.650 3.643 3.301 3.806 0.156 18 0 "[ . 1 . 2]" 2
359 1 20 ILE H 1 37 MET H . . 4.030 3.703 3.418 4.015 . 0 0 "[ . 1 . 2]" 2
360 1 20 ILE HA 1 21 HIS H . . 2.760 2.180 2.176 2.189 . 0 0 "[ . 1 . 2]" 2
361 1 20 ILE HA 1 21 HIS QB . . 5.060 4.004 3.970 4.046 . 0 0 "[ . 1 . 2]" 2
362 1 20 ILE HA 1 62 PHE HA . . 3.560 2.710 2.601 2.835 . 0 0 "[ . 1 . 2]" 2
363 1 20 ILE HA 1 62 PHE QD . . 7.820 4.092 3.847 4.333 . 0 0 "[ . 1 . 2]" 2
364 1 20 ILE HA 1 63 ASN H . . 5.700 3.390 3.244 3.594 . 0 0 "[ . 1 . 2]" 2
365 1 20 ILE HA 1 63 ASN QD . . 6.570 3.114 2.216 4.514 . 0 0 "[ . 1 . 2]" 2
366 1 20 ILE HB 1 21 HIS H . . 10.200 4.444 4.290 4.533 . 0 0 "[ . 1 . 2]" 2
367 1 20 ILE HB 1 22 TYR QD . . 7.840 5.538 5.138 5.977 . 0 0 "[ . 1 . 2]" 2
368 1 20 ILE HB 1 62 PHE QD . . 7.820 4.254 3.990 4.571 . 0 0 "[ . 1 . 2]" 2
369 1 20 ILE MG 1 22 TYR QD . . 6.820 2.593 2.198 3.153 . 0 0 "[ . 1 . 2]" 2
370 1 20 ILE MG 1 37 MET QG . . 6.150 1.979 1.615 2.393 . 0 0 "[ . 1 . 2]" 2
371 1 20 ILE MG 1 48 ILE HB . . 4.990 2.663 2.468 3.034 . 0 0 "[ . 1 . 2]" 2
372 1 20 ILE MG 1 48 ILE MG . . 6.270 2.019 1.879 2.310 . 0 0 "[ . 1 . 2]" 2
373 1 20 ILE MG 1 48 ILE MD . . 5.800 2.630 2.097 3.002 . 0 0 "[ . 1 . 2]" 2
374 1 20 ILE MG 1 50 VAL QG . . 9.320 3.764 3.539 4.122 . 0 0 "[ . 1 . 2]" 2
375 1 20 ILE HG12 1 22 TYR QD . . 7.840 5.113 3.850 6.313 . 0 0 "[ . 1 . 2]" 2
376 1 20 ILE HG13 1 22 TYR QD . . 7.840 5.494 4.358 6.303 . 0 0 "[ . 1 . 2]" 2
377 1 20 ILE QG 1 21 HIS H . . 5.030 3.092 2.785 3.489 . 0 0 "[ . 1 . 2]" 2
378 1 20 ILE QG 1 22 TYR QD . . 7.650 4.587 3.772 5.450 . 0 0 "[ . 1 . 2]" 2
379 1 20 ILE QG 1 61 ALA H . . 6.240 3.177 2.266 4.135 . 0 0 "[ . 1 . 2]" 2
380 1 20 ILE QG 1 62 PHE H . . 6.580 4.369 4.109 5.017 . 0 0 "[ . 1 . 2]" 2
381 1 20 ILE MD 1 21 HIS H . . 6.200 3.420 2.217 4.713 . 0 0 "[ . 1 . 2]" 2
382 1 20 ILE MD 1 22 TYR QD . . 8.030 3.510 1.963 5.428 . 0 0 "[ . 1 . 2]" 2
383 1 20 ILE MD 1 48 ILE MG . . 6.640 2.505 1.889 3.606 . 0 0 "[ . 1 . 2]" 2
384 1 20 ILE MD 1 48 ILE MD . . 7.600 4.400 3.331 5.196 . 0 0 "[ . 1 . 2]" 2
385 1 20 ILE MD 1 60 ALA HA . . 6.730 3.956 2.927 5.444 . 0 0 "[ . 1 . 2]" 2
386 1 20 ILE MD 1 60 ALA MB . . 6.170 2.311 1.743 3.073 . 0 0 "[ . 1 . 2]" 2
387 1 20 ILE MD 1 61 ALA H . . 6.700 3.026 1.747 4.562 . 0 0 "[ . 1 . 2]" 2
388 1 20 ILE O 1 35 VAL N . . 2.700 2.798 2.629 3.032 0.332 15 0 "[ . 1 . 2]" 2
389 1 20 ILE O 1 35 VAL H . . 1.800 1.871 1.747 2.043 0.243 17 0 "[ . 1 . 2]" 2
390 1 21 HIS N 1 61 ALA O . . 2.700 2.907 2.814 3.013 0.313 8 0 "[ . 1 . 2]" 2
391 1 21 HIS H 1 21 HIS HB2 . . 3.380 2.445 2.305 2.620 . 0 0 "[ . 1 . 2]" 2
392 1 21 HIS H 1 21 HIS HB3 . . 3.380 2.760 2.568 2.901 . 0 0 "[ . 1 . 2]" 2
393 1 21 HIS H 1 21 HIS QB . . 3.160 2.279 2.220 2.329 . 0 0 "[ . 1 . 2]" 2
394 1 21 HIS H 1 21 HIS HD2 . . 5.700 5.193 4.957 5.475 . 0 0 "[ . 1 . 2]" 2
395 1 21 HIS H 1 22 TYR H . . 4.490 4.450 4.393 4.576 0.086 15 0 "[ . 1 . 2]" 2
396 1 21 HIS H 1 61 ALA H . . 3.340 2.890 2.728 2.998 . 0 0 "[ . 1 . 2]" 2
397 1 21 HIS H 1 61 ALA MB . . 5.920 3.184 2.554 3.787 . 0 0 "[ . 1 . 2]" 2
398 1 21 HIS H 1 61 ALA O . . 1.800 2.142 2.056 2.233 0.433 16 0 "[ . 1 . 2]" 2
399 1 21 HIS H 1 62 PHE H . . 10.200 4.848 4.575 5.061 . 0 0 "[ . 1 . 2]" 2
400 1 21 HIS H 1 62 PHE HA . . 3.900 3.768 3.636 3.906 0.006 5 0 "[ . 1 . 2]" 2
401 1 21 HIS H 1 62 PHE QD . . 7.820 5.698 5.431 5.860 . 0 0 "[ . 1 . 2]" 2
402 1 21 HIS H 1 63 ASN HD21 . . 5.700 3.916 2.787 5.415 . 0 0 "[ . 1 . 2]" 2
403 1 21 HIS H 1 63 ASN HD22 . . 5.700 3.106 2.178 3.972 . 0 0 "[ . 1 . 2]" 2
404 1 21 HIS HA 1 22 TYR H . . 2.790 2.193 2.186 2.271 . 0 0 "[ . 1 . 2]" 2
405 1 21 HIS HA 1 22 TYR QD . . 7.840 4.053 3.765 4.216 . 0 0 "[ . 1 . 2]" 2
406 1 21 HIS HA 1 30 THR H . . 10.200 4.346 4.016 4.779 . 0 0 "[ . 1 . 2]" 2
407 1 21 HIS HA 1 30 THR MG . . 5.890 4.313 3.831 4.831 . 0 0 "[ . 1 . 2]" 2
408 1 21 HIS HA 1 34 GLY H . . 4.240 3.454 3.102 3.778 . 0 0 "[ . 1 . 2]" 2
409 1 21 HIS HA 1 34 GLY HA2 . . 3.560 2.558 2.114 3.528 . 0 0 "[ . 1 . 2]" 2
410 1 21 HIS HA 1 34 GLY HA3 . . 3.560 1.998 1.907 2.244 . 0 0 "[ . 1 . 2]" 2
411 1 21 HIS HA 1 34 GLY QA . . 3.320 1.902 1.807 2.214 . 0 0 "[ . 1 . 2]" 2
412 1 21 HIS HA 1 35 VAL H . . 3.780 3.390 2.988 3.776 . 0 0 "[ . 1 . 2]" 2
413 1 21 HIS HB2 1 22 TYR H . . 4.550 4.516 4.335 4.587 0.037 5 0 "[ . 1 . 2]" 2
414 1 21 HIS HB2 1 32 ALA HA . . 5.700 4.494 4.217 4.724 . 0 0 "[ . 1 . 2]" 2
415 1 21 HIS HB2 1 34 GLY H . . 5.700 2.791 2.439 3.209 . 0 0 "[ . 1 . 2]" 2
416 1 21 HIS HB2 1 34 GLY HA2 . . 7.330 3.811 3.180 4.948 . 0 0 "[ . 1 . 2]" 2
417 1 21 HIS HB2 1 34 GLY HA3 . . 7.330 3.076 2.497 3.835 . 0 0 "[ . 1 . 2]" 2
418 1 21 HIS HB2 1 35 VAL H . . 5.700 4.993 4.562 5.502 . 0 0 "[ . 1 . 2]" 2
419 1 21 HIS HB2 1 61 ALA H . . 5.230 4.447 3.792 4.976 . 0 0 "[ . 1 . 2]" 2
420 1 21 HIS HB2 1 61 ALA MB . . 6.260 3.515 2.701 4.425 . 0 0 "[ . 1 . 2]" 2
421 1 21 HIS HB2 1 63 ASN HD21 . . 7.370 3.980 3.297 4.836 . 0 0 "[ . 1 . 2]" 2
422 1 21 HIS HB2 1 63 ASN HD22 . . 7.370 2.968 2.045 3.710 . 0 0 "[ . 1 . 2]" 2
423 1 21 HIS HB2 1 69 TRP HZ3 . . 4.830 3.025 2.289 4.320 . 0 0 "[ . 1 . 2]" 2
424 1 21 HIS HB2 1 69 TRP HH2 . . 5.700 4.153 3.541 4.788 . 0 0 "[ . 1 . 2]" 2
425 1 21 HIS HB3 1 22 TYR H . . 4.550 4.121 3.792 4.310 . 0 0 "[ . 1 . 2]" 2
426 1 21 HIS HB3 1 32 ALA HA . . 5.700 5.817 5.717 5.939 0.239 17 0 "[ . 1 . 2]" 2
427 1 21 HIS HB3 1 34 GLY H . . 5.700 4.288 4.095 4.728 . 0 0 "[ . 1 . 2]" 2
428 1 21 HIS HB3 1 34 GLY HA2 . . 7.330 4.778 4.076 5.781 . 0 0 "[ . 1 . 2]" 2
429 1 21 HIS HB3 1 34 GLY HA3 . . 7.330 4.258 3.815 4.866 . 0 0 "[ . 1 . 2]" 2
430 1 21 HIS HB3 1 61 ALA H . . 5.230 3.438 2.598 3.980 . 0 0 "[ . 1 . 2]" 2
431 1 21 HIS HB3 1 61 ALA MB . . 6.260 2.575 2.005 3.246 . 0 0 "[ . 1 . 2]" 2
432 1 21 HIS HB3 1 63 ASN HD21 . . 7.370 5.167 4.100 6.485 . 0 0 "[ . 1 . 2]" 2
433 1 21 HIS HB3 1 63 ASN HD22 . . 7.370 4.259 3.020 5.306 . 0 0 "[ . 1 . 2]" 2
434 1 21 HIS HB3 1 69 TRP HZ3 . . 4.830 3.463 2.767 4.055 . 0 0 "[ . 1 . 2]" 2
435 1 21 HIS HB3 1 69 TRP HH2 . . 5.700 5.168 4.544 5.712 0.012 1 0 "[ . 1 . 2]" 2
436 1 21 HIS QB 1 22 TYR H . . 4.230 3.817 3.565 3.908 . 0 0 "[ . 1 . 2]" 2
437 1 21 HIS QB 1 34 GLY H . . 5.310 2.756 2.422 3.159 . 0 0 "[ . 1 . 2]" 2
438 1 21 HIS QB 1 34 GLY QA . . 5.880 2.871 2.371 3.553 . 0 0 "[ . 1 . 2]" 2
439 1 21 HIS QB 1 61 ALA H . . 4.850 3.317 2.556 3.770 . 0 0 "[ . 1 . 2]" 2
440 1 21 HIS QB 1 61 ALA MB . . 5.860 2.510 1.967 3.169 . 0 0 "[ . 1 . 2]" 2
441 1 21 HIS QB 1 63 ASN QD . . 6.060 2.779 2.001 3.339 . 0 0 "[ . 1 . 2]" 2
442 1 21 HIS QB 1 69 TRP HZ3 . . 4.580 2.819 2.228 3.718 . 0 0 "[ . 1 . 2]" 2
443 1 21 HIS QB 1 69 TRP HH2 . . 5.460 3.984 3.448 4.553 . 0 0 "[ . 1 . 2]" 2
444 1 21 HIS HD2 1 22 TYR H . . 5.700 3.776 1.924 5.806 0.106 6 0 "[ . 1 . 2]" 2
445 1 21 HIS HD2 1 61 ALA MB . . 6.200 4.741 3.616 5.123 . 0 0 "[ . 1 . 2]" 2
446 1 21 HIS HE1 1 29 TRP HB2 . . 5.230 4.222 3.430 5.307 0.077 17 0 "[ . 1 . 2]" 2
447 1 21 HIS HE1 1 29 TRP HB3 . . 5.230 2.878 1.950 3.987 . 0 0 "[ . 1 . 2]" 2
448 1 21 HIS HE1 1 29 TRP QB . . 4.920 2.815 1.942 3.772 . 0 0 "[ . 1 . 2]" 2
449 1 21 HIS HE1 1 31 ALA HA . . 5.330 4.396 3.162 4.798 . 0 0 "[ . 1 . 2]" 2
450 1 21 HIS HE1 1 31 ALA MB . . 6.730 5.378 4.228 5.735 . 0 0 "[ . 1 . 2]" 2
451 1 21 HIS HE1 1 32 ALA H . . 3.960 3.021 2.057 3.807 . 0 0 "[ . 1 . 2]" 2
452 1 21 HIS HE1 1 32 ALA HA . . 4.920 3.565 2.701 4.467 . 0 0 "[ . 1 . 2]" 2
453 1 21 HIS HE1 1 32 ALA MB . . 5.360 2.690 1.810 3.863 . 0 0 "[ . 1 . 2]" 2
454 1 21 HIS O 1 61 ALA N . . 2.700 2.486 2.437 2.533 . 0 0 "[ . 1 . 2]" 2
455 1 21 HIS O 1 61 ALA H . . 1.800 1.805 1.632 2.060 0.260 13 0 "[ . 1 . 2]" 2
456 1 22 TYR H 1 22 TYR HB2 . . 4.180 3.700 3.650 3.805 . 0 0 "[ . 1 . 2]" 2
457 1 22 TYR H 1 22 TYR HB3 . . 4.180 2.988 2.901 3.148 . 0 0 "[ . 1 . 2]" 2
458 1 22 TYR H 1 23 ARG H . . 4.340 4.467 4.397 4.496 0.156 4 0 "[ . 1 . 2]" 2
459 1 22 TYR H 1 30 THR H . . 3.380 3.535 3.233 3.669 0.289 3 0 "[ . 1 . 2]" 2
460 1 22 TYR H 1 34 GLY HA2 . . 4.310 3.844 3.490 4.447 0.137 8 0 "[ . 1 . 2]" 2
461 1 22 TYR H 1 34 GLY HA3 . . 4.310 3.840 3.407 4.106 . 0 0 "[ . 1 . 2]" 2
462 1 22 TYR HA 1 58 LEU MD1 . . 6.730 3.649 3.142 4.326 . 0 0 "[ . 1 . 2]" 2
463 1 22 TYR HA 1 58 LEU MD2 . . 6.730 4.042 2.861 4.992 . 0 0 "[ . 1 . 2]" 2
464 1 22 TYR HA 1 59 GLU H . . 10.200 4.855 4.601 5.126 . 0 0 "[ . 1 . 2]" 2
465 1 22 TYR HA 1 59 GLU QG . . 6.580 5.600 4.249 6.082 . 0 0 "[ . 1 . 2]" 2
466 1 22 TYR HA 1 60 ALA HA . . 3.250 1.964 1.889 2.071 . 0 0 "[ . 1 . 2]" 2
467 1 22 TYR HA 1 60 ALA MB . . 5.300 2.648 1.842 3.528 . 0 0 "[ . 1 . 2]" 2
468 1 22 TYR HA 1 61 ALA H . . 3.500 3.631 3.583 3.690 0.190 20 0 "[ . 1 . 2]" 2
469 1 22 TYR HB2 1 58 LEU MD1 . . 5.740 2.328 1.934 3.700 . 0 0 "[ . 1 . 2]" 2
470 1 22 TYR HB2 1 58 LEU MD2 . . 5.740 2.612 1.913 3.195 . 0 0 "[ . 1 . 2]" 2
471 1 22 TYR HB2 1 60 ALA HA . . 5.110 3.838 2.867 4.404 . 0 0 "[ . 1 . 2]" 2
472 1 22 TYR HB2 1 60 ALA MB . . 5.180 2.941 1.947 3.802 . 0 0 "[ . 1 . 2]" 2
473 1 22 TYR HB2 1 61 ALA H . . 5.700 5.426 4.791 5.761 0.061 17 0 "[ . 1 . 2]" 2
474 1 22 TYR HB3 1 58 LEU MD1 . . 5.740 3.690 3.468 4.475 . 0 0 "[ . 1 . 2]" 2
475 1 22 TYR HB3 1 58 LEU MD2 . . 5.740 3.696 3.334 4.049 . 0 0 "[ . 1 . 2]" 2
476 1 22 TYR HB3 1 60 ALA HA . . 5.110 3.537 2.469 4.276 . 0 0 "[ . 1 . 2]" 2
477 1 22 TYR HB3 1 60 ALA MB . . 5.180 2.521 1.822 3.224 . 0 0 "[ . 1 . 2]" 2
478 1 22 TYR HB3 1 61 ALA H . . 5.700 4.344 3.545 4.843 . 0 0 "[ . 1 . 2]" 2
479 1 22 TYR QB 1 23 ARG H . . 3.980 2.848 2.780 3.100 . 0 0 "[ . 1 . 2]" 2
480 1 22 TYR QB 1 58 LEU QD . . 5.030 2.000 1.876 2.242 . 0 0 "[ . 1 . 2]" 2
481 1 22 TYR QB 1 60 ALA HA . . 4.970 3.260 2.332 3.864 . 0 0 "[ . 1 . 2]" 2
482 1 22 TYR QB 1 60 ALA MB . . 4.980 2.380 1.676 3.057 . 0 0 "[ . 1 . 2]" 2
483 1 22 TYR QB 1 61 ALA H . . 5.430 4.175 3.456 4.605 . 0 0 "[ . 1 . 2]" 2
484 1 22 TYR QD 1 23 ARG H . . 7.060 3.412 3.232 3.786 . 0 0 "[ . 1 . 2]" 2
485 1 22 TYR QD 1 23 ARG HA . . 7.130 2.721 2.588 3.023 . 0 0 "[ . 1 . 2]" 2
486 1 22 TYR QD 1 24 PRO HD2 . . 7.590 4.311 4.164 4.481 . 0 0 "[ . 1 . 2]" 2
487 1 22 TYR QD 1 24 PRO HD3 . . 7.590 2.767 2.616 2.969 . 0 0 "[ . 1 . 2]" 2
488 1 22 TYR QD 1 24 PRO QD . . 7.230 2.736 2.590 2.929 . 0 0 "[ . 1 . 2]" 2
489 1 22 TYR QD 1 30 THR MG . . 8.870 3.435 2.768 4.505 . 0 0 "[ . 1 . 2]" 2
490 1 22 TYR QD 1 34 GLY HA2 . . 7.840 5.268 4.923 5.680 . 0 0 "[ . 1 . 2]" 2
491 1 22 TYR QD 1 34 GLY HA3 . . 7.840 4.848 4.208 5.371 . 0 0 "[ . 1 . 2]" 2
492 1 22 TYR QD 1 35 VAL H . . 7.650 4.135 3.793 4.477 . 0 0 "[ . 1 . 2]" 2
493 1 22 TYR QD 1 48 ILE MG . . 8.870 3.607 3.161 4.023 . 0 0 "[ . 1 . 2]" 2
494 1 22 TYR QD 1 58 LEU HB2 . . 7.840 5.503 5.119 5.743 . 0 0 "[ . 1 . 2]" 2
495 1 22 TYR QD 1 58 LEU HB3 . . 7.840 6.357 5.980 6.731 . 0 0 "[ . 1 . 2]" 2
496 1 22 TYR QD 1 58 LEU HG . . 7.840 4.574 3.743 5.176 . 0 0 "[ . 1 . 2]" 2
497 1 22 TYR QD 1 58 LEU MD1 . . 8.370 2.939 2.098 5.103 . 0 0 "[ . 1 . 2]" 2
498 1 22 TYR QD 1 58 LEU MD2 . . 8.370 3.785 2.559 4.686 . 0 0 "[ . 1 . 2]" 2
499 1 22 TYR QD 1 58 LEU QD . . 7.880 2.531 2.081 3.006 . 0 0 "[ . 1 . 2]" 2
500 1 22 TYR QD 1 60 ALA MB . . 8.810 4.081 3.425 4.726 . 0 0 "[ . 1 . 2]" 2
501 1 22 TYR QE 1 23 ARG HA . . 7.620 4.308 4.071 4.659 . 0 0 "[ . 1 . 2]" 2
502 1 22 TYR QE 1 24 PRO HG2 . . 7.830 5.725 5.488 5.868 . 0 0 "[ . 1 . 2]" 2
503 1 22 TYR QE 1 24 PRO HG3 . . 7.830 4.501 4.181 4.674 . 0 0 "[ . 1 . 2]" 2
504 1 22 TYR QE 1 30 THR MG . . 7.250 2.486 2.251 3.566 . 0 0 "[ . 1 . 2]" 2
505 1 22 TYR QE 1 35 VAL HB . . 7.310 2.817 2.256 3.745 . 0 0 "[ . 1 . 2]" 2
506 1 22 TYR QE 1 35 VAL QG . . 8.560 1.901 1.757 2.472 . 0 0 "[ . 1 . 2]" 2
507 1 22 TYR QE 1 60 ALA MB . . 8.860 5.941 5.245 6.617 . 0 0 "[ . 1 . 2]" 2
508 1 23 ARG N 1 59 GLU O . . 2.700 2.609 2.499 2.690 . 0 0 "[ . 1 . 2]" 2
509 1 23 ARG H 1 23 ARG HB2 . . 3.870 3.657 3.516 3.970 0.100 8 0 "[ . 1 . 2]" 2
510 1 23 ARG H 1 23 ARG HB3 . . 3.870 2.813 2.619 3.075 . 0 0 "[ . 1 . 2]" 2
511 1 23 ARG H 1 23 ARG QB . . 3.670 2.726 2.551 2.977 . 0 0 "[ . 1 . 2]" 2
512 1 23 ARG H 1 23 ARG HG2 . . 4.460 4.066 3.701 4.487 0.027 18 0 "[ . 1 . 2]" 2
513 1 23 ARG H 1 23 ARG HG3 . . 4.460 4.492 2.709 4.913 0.453 18 0 "[ . 1 . 2]" 2
514 1 23 ARG H 1 23 ARG QG . . 4.260 3.721 2.669 4.157 . 0 0 "[ . 1 . 2]" 2
515 1 23 ARG H 1 23 ARG HE . . 5.700 5.650 4.841 5.768 0.068 18 0 "[ . 1 . 2]" 2
516 1 23 ARG H 1 24 PRO HD2 . . 5.700 4.878 4.839 4.943 . 0 0 "[ . 1 . 2]" 2
517 1 23 ARG H 1 24 PRO HD3 . . 5.700 4.155 4.069 4.330 . 0 0 "[ . 1 . 2]" 2
518 1 23 ARG H 1 29 TRP HH2 . . 4.370 4.153 3.767 4.481 0.111 5 0 "[ . 1 . 2]" 2
519 1 23 ARG H 1 58 LEU HB2 . . 5.700 4.897 4.563 5.281 . 0 0 "[ . 1 . 2]" 2
520 1 23 ARG H 1 58 LEU HB3 . . 5.700 5.635 5.233 5.939 0.239 13 0 "[ . 1 . 2]" 2
521 1 23 ARG H 1 58 LEU QB . . 5.450 4.611 4.294 4.939 . 0 0 "[ . 1 . 2]" 2
522 1 23 ARG H 1 58 LEU HG . . 5.390 3.349 2.272 4.750 . 0 0 "[ . 1 . 2]" 2
523 1 23 ARG H 1 59 GLU H . . 3.100 2.963 2.664 3.211 0.111 17 0 "[ . 1 . 2]" 2
524 1 23 ARG H 1 59 GLU QB . . 5.990 3.567 2.789 4.725 . 0 0 "[ . 1 . 2]" 2
525 1 23 ARG H 1 59 GLU QG . . 6.580 4.994 3.012 5.495 . 0 0 "[ . 1 . 2]" 2
526 1 23 ARG H 1 59 GLU O . . 1.800 1.781 1.717 1.890 0.090 17 0 "[ . 1 . 2]" 2
527 1 23 ARG H 1 60 ALA HA . . 3.690 3.564 3.416 3.752 0.062 5 0 "[ . 1 . 2]" 2
528 1 23 ARG H 1 60 ALA MB . . 5.890 3.819 2.983 4.598 . 0 0 "[ . 1 . 2]" 2
529 1 23 ARG H 1 61 ALA H . . 10.200 5.759 5.647 5.897 . 0 0 "[ . 1 . 2]" 2
530 1 23 ARG HA 1 23 ARG HD2 . . 5.360 4.551 3.371 4.741 . 0 0 "[ . 1 . 2]" 2
531 1 23 ARG HA 1 23 ARG HD3 . . 5.360 4.510 4.024 4.637 . 0 0 "[ . 1 . 2]" 2
532 1 23 ARG HA 1 23 ARG QD . . 5.070 4.007 3.284 4.152 . 0 0 "[ . 1 . 2]" 2
533 1 23 ARG HA 1 24 PRO HG2 . . 5.700 4.435 4.415 4.488 . 0 0 "[ . 1 . 2]" 2
534 1 23 ARG HA 1 24 PRO HG3 . . 5.700 4.224 4.219 4.232 . 0 0 "[ . 1 . 2]" 2
535 1 23 ARG HA 1 24 PRO QG . . 5.520 3.849 3.846 3.866 . 0 0 "[ . 1 . 2]" 2
536 1 23 ARG HA 1 24 PRO HD2 . . 3.470 2.376 2.336 2.471 . 0 0 "[ . 1 . 2]" 2
537 1 23 ARG HA 1 24 PRO HD3 . . 3.470 1.962 1.948 1.977 . 0 0 "[ . 1 . 2]" 2
538 1 23 ARG HA 1 24 PRO QD . . 3.280 1.873 1.871 1.879 . 0 0 "[ . 1 . 2]" 2
539 1 23 ARG HA 1 29 TRP HA . . 3.530 3.217 2.855 3.632 0.102 15 0 "[ . 1 . 2]" 2
540 1 23 ARG HB2 1 23 ARG HE . . 5.450 4.469 4.362 4.904 . 0 0 "[ . 1 . 2]" 2
541 1 23 ARG HB2 1 24 PRO HD2 . . 5.510 3.671 2.794 3.848 . 0 0 "[ . 1 . 2]" 2
542 1 23 ARG HB2 1 24 PRO HD3 . . 5.510 4.129 3.638 4.228 . 0 0 "[ . 1 . 2]" 2
543 1 23 ARG HB2 1 27 GLY H . . 10.200 5.952 4.769 6.269 . 0 0 "[ . 1 . 2]" 2
544 1 23 ARG HB2 1 28 SER H . . 10.200 4.999 3.327 5.657 . 0 0 "[ . 1 . 2]" 2
545 1 23 ARG HB2 1 29 TRP H . . 5.670 3.913 3.292 4.177 . 0 0 "[ . 1 . 2]" 2
546 1 23 ARG HB2 1 29 TRP HA . . 4.120 1.947 1.839 2.328 . 0 0 "[ . 1 . 2]" 2
547 1 23 ARG HB2 1 29 TRP HE1 . . 5.700 4.786 3.929 5.475 . 0 0 "[ . 1 . 2]" 2
548 1 23 ARG HB2 1 30 THR H . . 5.610 3.918 3.704 4.686 . 0 0 "[ . 1 . 2]" 2
549 1 23 ARG HB3 1 23 ARG HE . . 5.450 3.859 3.539 5.078 . 0 0 "[ . 1 . 2]" 2
550 1 23 ARG HB3 1 24 PRO HD2 . . 5.510 4.544 4.239 4.641 . 0 0 "[ . 1 . 2]" 2
551 1 23 ARG HB3 1 24 PRO HD3 . . 5.510 4.799 4.518 4.850 . 0 0 "[ . 1 . 2]" 2
552 1 23 ARG HB3 1 27 GLY H . . 10.200 6.290 6.132 6.529 . 0 0 "[ . 1 . 2]" 2
553 1 23 ARG HB3 1 28 SER H . . 10.200 6.309 5.041 6.923 . 0 0 "[ . 1 . 2]" 2
554 1 23 ARG HB3 1 29 TRP H . . 5.670 5.335 3.794 5.731 0.061 7 0 "[ . 1 . 2]" 2
555 1 23 ARG HB3 1 29 TRP HA . . 4.120 3.411 1.944 3.674 . 0 0 "[ . 1 . 2]" 2
556 1 23 ARG HB3 1 29 TRP HE1 . . 5.700 4.475 3.619 5.076 . 0 0 "[ . 1 . 2]" 2
557 1 23 ARG HB3 1 30 THR H . . 5.610 5.030 3.684 5.393 . 0 0 "[ . 1 . 2]" 2
558 1 23 ARG QB 1 24 PRO QD . . 5.110 3.270 2.660 3.374 . 0 0 "[ . 1 . 2]" 2
559 1 23 ARG QB 1 29 TRP H . . 5.440 3.816 3.103 4.080 . 0 0 "[ . 1 . 2]" 2
560 1 23 ARG QB 1 29 TRP HA . . 3.820 1.903 1.773 1.956 . 0 0 "[ . 1 . 2]" 2
561 1 23 ARG QB 1 30 THR H . . 5.220 3.739 3.479 3.912 . 0 0 "[ . 1 . 2]" 2
562 1 23 ARG QB 1 59 GLU QB . . 7.460 3.338 2.627 5.665 . 0 0 "[ . 1 . 2]" 2
563 1 23 ARG HG2 1 27 GLY H . . 5.390 4.038 3.573 5.448 0.058 8 0 "[ . 1 . 2]" 2
564 1 23 ARG HG2 1 28 SER H . . 5.700 5.268 4.266 5.563 . 0 0 "[ . 1 . 2]" 2
565 1 23 ARG HG2 1 29 TRP H . . 5.700 5.566 4.494 5.843 0.143 16 0 "[ . 1 . 2]" 2
566 1 23 ARG HG2 1 29 TRP HA . . 5.270 4.610 3.731 4.915 . 0 0 "[ . 1 . 2]" 2
567 1 23 ARG HG2 1 59 GLU QB . . 6.580 3.848 2.775 5.132 . 0 0 "[ . 1 . 2]" 2
568 1 23 ARG HG3 1 27 GLY H . . 5.390 3.817 3.340 5.387 . 0 0 "[ . 1 . 2]" 2
569 1 23 ARG HG3 1 28 SER H . . 5.700 3.988 3.325 5.802 0.102 5 0 "[ . 1 . 2]" 2
570 1 23 ARG HG3 1 29 TRP H . . 5.700 4.462 4.200 5.816 0.116 8 0 "[ . 1 . 2]" 2
571 1 23 ARG HG3 1 29 TRP HA . . 5.270 3.746 3.409 4.554 . 0 0 "[ . 1 . 2]" 2
572 1 23 ARG HG3 1 59 GLU QB . . 6.580 4.940 2.182 5.871 . 0 0 "[ . 1 . 2]" 2
573 1 23 ARG QG 1 25 ALA HA . . 6.580 3.827 3.669 4.464 . 0 0 "[ . 1 . 2]" 2
574 1 23 ARG QG 1 29 TRP HE1 . . 6.580 4.584 2.635 5.261 . 0 0 "[ . 1 . 2]" 2
575 1 23 ARG QG 1 59 GLU H . . 6.580 3.674 2.922 4.516 . 0 0 "[ . 1 . 2]" 2
576 1 23 ARG QG 1 59 GLU QB . . 6.350 3.626 2.156 4.370 . 0 0 "[ . 1 . 2]" 2
577 1 23 ARG HD2 1 29 TRP HD1 . . 5.700 3.817 3.263 5.435 . 0 0 "[ . 1 . 2]" 2
578 1 23 ARG HD2 1 29 TRP HE1 . . 5.270 4.031 3.661 5.380 0.110 8 0 "[ . 1 . 2]" 2
579 1 23 ARG HD3 1 29 TRP HD1 . . 5.700 3.497 3.157 5.750 0.050 18 0 "[ . 1 . 2]" 2
580 1 23 ARG HD3 1 29 TRP HE1 . . 5.270 2.992 2.624 4.847 . 0 0 "[ . 1 . 2]" 2
581 1 23 ARG QD 1 25 ALA HA . . 6.580 4.973 2.786 5.328 . 0 0 "[ . 1 . 2]" 2
582 1 23 ARG QD 1 27 GLY H . . 5.250 4.272 2.560 4.576 . 0 0 "[ . 1 . 2]" 2
583 1 23 ARG QD 1 29 TRP HA . . 6.580 3.538 2.997 4.939 . 0 0 "[ . 1 . 2]" 2
584 1 23 ARG QD 1 29 TRP HE1 . . 4.860 2.880 2.569 3.903 . 0 0 "[ . 1 . 2]" 2
585 1 23 ARG HE 1 25 ALA MB . . 5.670 4.636 3.377 4.819 . 0 0 "[ . 1 . 2]" 2
586 1 23 ARG HE 1 26 GLY H . . 5.700 3.710 3.444 4.521 . 0 0 "[ . 1 . 2]" 2
587 1 23 ARG HE 1 27 GLY H . . 5.700 4.284 3.422 5.446 . 0 0 "[ . 1 . 2]" 2
588 1 23 ARG HE 1 29 TRP HE1 . . 5.700 4.694 3.166 5.744 0.044 5 0 "[ . 1 . 2]" 2
589 1 23 ARG O 1 59 GLU N . . 2.700 2.730 2.584 2.967 0.267 8 0 "[ . 1 . 2]" 2
590 1 23 ARG O 1 59 GLU H . . 1.800 1.779 1.659 2.040 0.240 8 0 "[ . 1 . 2]" 2
591 1 24 PRO HA 1 25 ALA H . . 2.600 2.177 2.169 2.182 . 0 0 "[ . 1 . 2]" 2
592 1 24 PRO HA 1 58 LEU HA . . 3.000 2.402 2.269 2.503 . 0 0 "[ . 1 . 2]" 2
593 1 24 PRO HA 1 58 LEU HB2 . . 4.210 2.355 2.070 2.670 . 0 0 "[ . 1 . 2]" 2
594 1 24 PRO HA 1 58 LEU HB3 . . 4.210 4.019 3.756 4.288 0.078 19 0 "[ . 1 . 2]" 2
595 1 24 PRO HA 1 58 LEU QB . . 3.960 2.339 2.061 2.645 . 0 0 "[ . 1 . 2]" 2
596 1 24 PRO HA 1 59 GLU H . . 3.440 3.507 3.290 3.655 0.215 16 0 "[ . 1 . 2]" 2
597 1 24 PRO HB2 1 52 ILE MG . . 5.610 3.552 3.367 3.726 . 0 0 "[ . 1 . 2]" 2
598 1 24 PRO HB2 1 52 ILE MD . . 6.540 5.056 4.763 5.357 . 0 0 "[ . 1 . 2]" 2
599 1 24 PRO HB3 1 52 ILE MG . . 5.610 2.085 1.968 2.236 . 0 0 "[ . 1 . 2]" 2
600 1 24 PRO HB3 1 52 ILE MD . . 6.540 4.384 4.059 4.725 . 0 0 "[ . 1 . 2]" 2
601 1 24 PRO QB 1 27 GLY QA . . 6.060 3.360 3.218 3.597 . 0 0 "[ . 1 . 2]" 2
602 1 24 PRO QB 1 28 SER H . . 5.710 5.009 4.747 5.141 . 0 0 "[ . 1 . 2]" 2
603 1 24 PRO QB 1 52 ILE MG . . 5.310 2.071 1.958 2.219 . 0 0 "[ . 1 . 2]" 2
604 1 24 PRO QB 1 58 LEU HA . . 6.580 4.115 3.914 4.242 . 0 0 "[ . 1 . 2]" 2
605 1 24 PRO HG2 1 27 GLY HA2 . . 7.450 3.702 3.558 3.947 . 0 0 "[ . 1 . 2]" 2
606 1 24 PRO HG2 1 27 GLY HA3 . . 7.450 2.127 1.958 2.510 . 0 0 "[ . 1 . 2]" 2
607 1 24 PRO HG2 1 28 SER H . . 5.700 3.276 3.115 3.537 . 0 0 "[ . 1 . 2]" 2
608 1 24 PRO HG2 1 52 ILE MG . . 5.920 4.709 4.556 4.808 . 0 0 "[ . 1 . 2]" 2
609 1 24 PRO HG3 1 27 GLY HA2 . . 7.450 5.411 5.260 5.677 . 0 0 "[ . 1 . 2]" 2
610 1 24 PRO HG3 1 27 GLY HA3 . . 7.450 3.848 3.691 4.230 . 0 0 "[ . 1 . 2]" 2
611 1 24 PRO HG3 1 28 SER H . . 5.700 4.456 4.294 4.701 . 0 0 "[ . 1 . 2]" 2
612 1 24 PRO HG3 1 52 ILE MG . . 5.920 3.738 3.517 3.923 . 0 0 "[ . 1 . 2]" 2
613 1 24 PRO QG 1 27 GLY QA . . 5.910 2.103 1.941 2.464 . 0 0 "[ . 1 . 2]" 2
614 1 24 PRO QG 1 28 SER H . . 5.210 3.197 3.045 3.440 . 0 0 "[ . 1 . 2]" 2
615 1 24 PRO QG 1 52 ILE MG . . 5.580 3.601 3.406 3.749 . 0 0 "[ . 1 . 2]" 2
616 1 24 PRO QD 1 27 GLY QA . . 6.770 2.790 2.644 2.997 . 0 0 "[ . 1 . 2]" 2
617 1 24 PRO QD 1 28 SER H . . 5.740 2.683 2.154 3.002 . 0 0 "[ . 1 . 2]" 2
618 1 24 PRO QD 1 29 TRP HA . . 6.580 4.022 3.646 4.413 . 0 0 "[ . 1 . 2]" 2
619 1 25 ALA N 1 57 GLN O . . 2.700 2.975 2.893 3.024 0.324 19 0 "[ . 1 . 2]" 2
620 1 25 ALA H 1 25 ALA HA . . 2.970 2.744 2.669 2.766 . 0 0 "[ . 1 . 2]" 2
621 1 25 ALA H 1 25 ALA MB . . 3.630 2.037 1.936 2.149 . 0 0 "[ . 1 . 2]" 2
622 1 25 ALA H 1 26 GLY H . . 10.200 4.376 4.303 4.620 . 0 0 "[ . 1 . 2]" 2
623 1 25 ALA H 1 52 ILE MG . . 5.980 4.067 3.634 4.340 . 0 0 "[ . 1 . 2]" 2
624 1 25 ALA H 1 52 ILE MD . . 5.740 4.311 3.907 4.603 . 0 0 "[ . 1 . 2]" 2
625 1 25 ALA H 1 55 ALA MB . . 4.310 2.494 2.222 2.845 . 0 0 "[ . 1 . 2]" 2
626 1 25 ALA H 1 57 GLN H . . 3.690 3.802 3.684 3.895 0.205 2 0 "[ . 1 . 2]" 2
627 1 25 ALA H 1 57 GLN O . . 1.800 2.002 1.926 2.048 0.248 11 0 "[ . 1 . 2]" 2
628 1 25 ALA H 1 59 GLU H . . 3.870 3.976 3.877 4.090 0.220 3 0 "[ . 1 . 2]" 2
629 1 25 ALA HA 1 26 GLY H . . 2.630 2.222 2.198 2.240 . 0 0 "[ . 1 . 2]" 2
630 1 25 ALA HA 1 27 GLY H . . 3.470 3.523 3.265 3.585 0.115 16 0 "[ . 1 . 2]" 2
631 1 25 ALA HA 1 55 ALA MB . . 6.170 3.919 3.544 4.505 . 0 0 "[ . 1 . 2]" 2
632 1 25 ALA MB 1 26 GLY H . . 4.590 3.505 3.065 3.597 . 0 0 "[ . 1 . 2]" 2
633 1 25 ALA MB 1 27 GLY H . . 5.390 4.576 4.304 4.634 . 0 0 "[ . 1 . 2]" 2
634 1 25 ALA MB 1 28 SER H . . 10.200 7.679 7.066 7.886 . 0 0 "[ . 1 . 2]" 2
635 1 25 ALA MB 1 55 ALA MB . . 6.330 2.268 1.885 2.828 . 0 0 "[ . 1 . 2]" 2
636 1 25 ALA MB 1 56 SER H . . 5.330 3.427 3.281 3.690 . 0 0 "[ . 1 . 2]" 2
637 1 25 ALA MB 1 57 GLN H . . 4.460 2.705 2.520 2.954 . 0 0 "[ . 1 . 2]" 2
638 1 25 ALA MB 1 57 GLN HB2 . . 5.180 3.335 3.110 4.333 . 0 0 "[ . 1 . 2]" 2
639 1 25 ALA MB 1 57 GLN HB3 . . 4.680 3.427 2.828 3.713 . 0 0 "[ . 1 . 2]" 2
640 1 25 ALA MB 1 57 GLN QG . . 6.270 4.658 4.249 4.755 . 0 0 "[ . 1 . 2]" 2
641 1 25 ALA MB 1 57 GLN HE21 . . 6.730 4.341 3.679 4.754 . 0 0 "[ . 1 . 2]" 2
642 1 25 ALA MB 1 57 GLN HE22 . . 6.730 5.356 3.540 5.635 . 0 0 "[ . 1 . 2]" 2
643 1 26 GLY H 1 27 GLY H . . 3.280 2.175 2.075 2.665 . 0 0 "[ . 1 . 2]" 2
644 1 26 GLY HA2 1 27 GLY H . . 3.690 3.299 3.062 3.389 . 0 0 "[ . 1 . 2]" 2
645 1 26 GLY HA3 1 27 GLY H . . 3.690 3.403 3.320 3.558 . 0 0 "[ . 1 . 2]" 2
646 1 26 GLY QA 1 27 GLY H . . 3.400 2.979 2.893 2.990 . 0 0 "[ . 1 . 2]" 2
647 1 27 GLY H 1 27 GLY HA2 . . 3.030 2.954 2.944 2.960 . 0 0 "[ . 1 . 2]" 2
648 1 27 GLY H 1 27 GLY HA3 . . 3.030 2.398 2.359 2.444 . 0 0 "[ . 1 . 2]" 2
649 1 27 GLY H 1 27 GLY QA . . 2.800 2.300 2.269 2.334 . 0 0 "[ . 1 . 2]" 2
650 1 27 GLY H 1 55 ALA MB . . 6.730 4.405 4.099 4.827 . 0 0 "[ . 1 . 2]" 2
651 1 27 GLY HA2 1 28 SER H . . 2.970 3.016 2.896 3.175 0.205 8 0 "[ . 1 . 2]" 2
652 1 27 GLY HA3 1 28 SER H . . 2.970 2.303 2.225 2.379 . 0 0 "[ . 1 . 2]" 2
653 1 27 GLY QA 1 28 SER H . . 2.720 2.233 2.184 2.275 . 0 0 "[ . 1 . 2]" 2
654 1 28 SER H 1 28 SER HA . . 3.100 2.909 2.876 2.919 . 0 0 "[ . 1 . 2]" 2
655 1 28 SER H 1 28 SER QB . . 3.800 2.973 2.412 3.204 . 0 0 "[ . 1 . 2]" 2
656 1 28 SER HA 1 29 TRP H . . 2.600 2.463 2.346 2.734 0.134 7 0 "[ . 1 . 2]" 2
657 1 28 SER HA 1 29 TRP HD1 . . 5.330 4.656 3.703 5.025 . 0 0 "[ . 1 . 2]" 2
658 1 28 SER HB2 1 29 TRP H . . 3.340 3.166 2.764 3.491 0.151 16 0 "[ . 1 . 2]" 2
659 1 28 SER HB3 1 29 TRP H . . 3.340 3.077 2.439 3.458 0.118 16 0 "[ . 1 . 2]" 2
660 1 28 SER QB 1 29 TRP H . . 3.090 2.750 2.379 3.095 0.005 16 0 "[ . 1 . 2]" 2
661 1 29 TRP H 1 29 TRP HB2 . . 3.280 2.203 2.143 2.347 . 0 0 "[ . 1 . 2]" 2
662 1 29 TRP H 1 29 TRP HB3 . . 3.280 3.479 3.442 3.545 0.265 5 0 "[ . 1 . 2]" 2
663 1 29 TRP H 1 29 TRP QB . . 2.920 2.180 2.123 2.315 . 0 0 "[ . 1 . 2]" 2
664 1 29 TRP H 1 29 TRP HD1 . . 3.310 3.265 2.513 3.470 0.160 16 0 "[ . 1 . 2]" 2
665 1 29 TRP H 1 30 THR H . . 10.200 4.630 4.553 4.648 . 0 0 "[ . 1 . 2]" 2
666 1 29 TRP HA 1 30 THR H . . 2.660 2.433 2.387 2.552 . 0 0 "[ . 1 . 2]" 2
667 1 29 TRP HA 1 30 THR MG . . 6.730 4.762 3.766 5.281 . 0 0 "[ . 1 . 2]" 2
668 1 29 TRP HB3 1 30 THR H . . 3.650 2.662 2.363 2.770 . 0 0 "[ . 1 . 2]" 2
669 1 29 TRP QB 1 30 THR H . . 3.350 2.623 2.339 2.725 . 0 0 "[ . 1 . 2]" 2
670 1 29 TRP HD1 1 30 THR H . . 5.700 5.919 5.806 6.000 0.300 20 0 "[ . 1 . 2]" 2
671 1 29 TRP HZ2 1 59 GLU QB . . 6.580 3.299 2.682 4.265 . 0 0 "[ . 1 . 2]" 2
672 1 29 TRP HZ2 1 59 GLU QG . . 6.580 3.902 1.946 4.933 . 0 0 "[ . 1 . 2]" 2
673 1 29 TRP HZ2 1 76 ASN HD21 . . 5.300 2.867 1.959 4.292 . 0 0 "[ . 1 . 2]" 2
674 1 29 TRP HZ2 1 76 ASN HD22 . . 5.300 3.230 2.096 5.016 . 0 0 "[ . 1 . 2]" 2
675 1 29 TRP HZ2 1 76 ASN QD . . 4.820 2.601 1.852 4.061 . 0 0 "[ . 1 . 2]" 2
676 1 29 TRP HH2 1 59 GLU QB . . 6.580 2.643 1.955 4.103 . 0 0 "[ . 1 . 2]" 2
677 1 29 TRP HH2 1 59 GLU QG . . 6.170 3.542 1.964 4.304 . 0 0 "[ . 1 . 2]" 2
678 1 29 TRP HH2 1 60 ALA H . . 5.700 4.062 3.376 4.532 . 0 0 "[ . 1 . 2]" 2
679 1 29 TRP HH2 1 60 ALA HA . . 4.370 3.310 2.011 4.376 0.006 5 0 "[ . 1 . 2]" 2
680 1 29 TRP HH2 1 61 ALA H . . 10.200 4.593 3.851 5.589 . 0 0 "[ . 1 . 2]" 2
681 1 29 TRP HH2 1 76 ASN HB2 . . 5.700 3.351 1.950 5.008 . 0 0 "[ . 1 . 2]" 2
682 1 29 TRP HH2 1 76 ASN HB3 . . 5.700 3.264 2.388 4.342 . 0 0 "[ . 1 . 2]" 2
683 1 29 TRP HH2 1 76 ASN HD21 . . 5.200 3.319 1.925 4.935 . 0 0 "[ . 1 . 2]" 2
684 1 29 TRP HH2 1 76 ASN HD22 . . 5.200 3.779 2.898 5.303 0.103 19 0 "[ . 1 . 2]" 2
685 1 29 TRP HH2 1 76 ASN QD . . 4.720 2.940 1.908 4.318 . 0 0 "[ . 1 . 2]" 2
686 1 30 THR H 1 30 THR HA . . 3.130 2.883 2.838 2.916 . 0 0 "[ . 1 . 2]" 2
687 1 30 THR H 1 30 THR HB . . 3.620 2.982 2.667 3.461 . 0 0 "[ . 1 . 2]" 2
688 1 30 THR H 1 30 THR MG . . 4.030 3.347 2.586 3.675 . 0 0 "[ . 1 . 2]" 2
689 1 30 THR H 1 31 ALA H . . 10.200 4.522 4.455 4.623 . 0 0 "[ . 1 . 2]" 2
690 1 30 THR HA 1 30 THR HB . . 2.880 2.910 2.636 3.041 0.161 5 0 "[ . 1 . 2]" 2
691 1 30 THR HA 1 30 THR MG . . 3.750 2.187 2.093 2.324 . 0 0 "[ . 1 . 2]" 2
692 1 30 THR HA 1 31 ALA H . . 2.600 2.643 2.368 2.742 0.142 10 0 "[ . 1 . 2]" 2
693 1 30 THR HA 1 31 ALA MB . . 6.200 4.090 3.987 4.176 . 0 0 "[ . 1 . 2]" 2
694 1 30 THR HB 1 31 ALA H . . 2.820 2.684 2.056 2.902 0.082 5 0 "[ . 1 . 2]" 2
695 1 30 THR HB 1 31 ALA MB . . 6.630 4.220 3.808 4.448 . 0 0 "[ . 1 . 2]" 2
696 1 30 THR HB 1 34 GLY HA2 . . 3.650 2.224 1.960 2.420 . 0 0 "[ . 1 . 2]" 2
697 1 30 THR HB 1 34 GLY HA3 . . 3.650 3.648 3.188 3.784 0.134 6 0 "[ . 1 . 2]" 2
698 1 30 THR HB 1 34 GLY QA . . 3.310 2.205 1.943 2.392 . 0 0 "[ . 1 . 2]" 2
699 1 30 THR MG 1 31 ALA H . . 4.590 2.392 1.866 3.651 . 0 0 "[ . 1 . 2]" 2
700 1 30 THR MG 1 34 GLY H . . 6.600 5.526 5.235 5.618 . 0 0 "[ . 1 . 2]" 2
701 1 30 THR MG 1 34 GLY HA2 . . 6.260 3.642 3.148 3.787 . 0 0 "[ . 1 . 2]" 2
702 1 30 THR MG 1 34 GLY HA3 . . 6.260 4.424 3.991 4.673 . 0 0 "[ . 1 . 2]" 2
703 1 30 THR MG 1 34 GLY QA . . 5.790 3.474 3.054 3.633 . 0 0 "[ . 1 . 2]" 2
704 1 30 THR MG 1 35 VAL H . . 5.860 4.343 4.087 4.843 . 0 0 "[ . 1 . 2]" 2
705 1 30 THR MG 1 35 VAL QG . . 7.580 3.160 2.541 4.112 . 0 0 "[ . 1 . 2]" 2
706 1 31 ALA H 1 31 ALA HA . . 3.000 2.863 2.782 2.902 . 0 0 "[ . 1 . 2]" 2
707 1 31 ALA H 1 31 ALA MB . . 3.630 2.074 1.933 2.210 . 0 0 "[ . 1 . 2]" 2
708 1 31 ALA H 1 32 ALA H . . 10.200 4.241 4.161 4.324 . 0 0 "[ . 1 . 2]" 2
709 1 31 ALA H 1 34 GLY QA . . 5.150 3.979 3.402 4.312 . 0 0 "[ . 1 . 2]" 2
710 1 31 ALA HA 1 32 ALA H . . 2.600 2.249 2.210 2.271 . 0 0 "[ . 1 . 2]" 2
711 1 31 ALA HA 1 32 ALA MB . . 6.570 3.941 3.889 4.012 . 0 0 "[ . 1 . 2]" 2
712 1 31 ALA MB 1 32 ALA H . . 4.190 3.605 3.528 3.635 . 0 0 "[ . 1 . 2]" 2
713 1 32 ALA H 1 32 ALA HA . . 3.030 2.766 2.745 2.806 . 0 0 "[ . 1 . 2]" 2
714 1 32 ALA H 1 32 ALA MB . . 3.630 1.985 1.932 2.160 . 0 0 "[ . 1 . 2]" 2
715 1 32 ALA HA 1 33 PRO QB . . 5.410 3.732 3.668 3.767 . 0 0 "[ . 1 . 2]" 2
716 1 32 ALA HA 1 34 GLY QA . . 5.680 3.168 3.095 3.332 . 0 0 "[ . 1 . 2]" 2
717 1 32 ALA HA 1 69 TRP HZ2 . . 5.700 5.320 4.636 5.694 . 0 0 "[ . 1 . 2]" 2
718 1 32 ALA HA 1 69 TRP HH2 . . 5.170 3.776 2.979 4.838 . 0 0 "[ . 1 . 2]" 2
719 1 32 ALA MB 1 33 PRO HA . . 4.060 2.499 2.318 2.755 . 0 0 "[ . 1 . 2]" 2
720 1 32 ALA MB 1 34 GLY H . . 5.150 3.115 2.873 3.738 . 0 0 "[ . 1 . 2]" 2
721 1 32 ALA MB 1 69 TRP HZ2 . . 4.900 3.669 2.372 3.996 . 0 0 "[ . 1 . 2]" 2
722 1 32 ALA MB 1 69 TRP HH2 . . 5.150 2.353 1.989 2.997 . 0 0 "[ . 1 . 2]" 2
723 1 33 PRO HA 1 63 ASN QD . . 5.390 4.046 3.062 4.758 . 0 0 "[ . 1 . 2]" 2
724 1 33 PRO HA 1 69 TRP HZ2 . . 4.520 3.950 3.395 4.527 0.007 20 0 "[ . 1 . 2]" 2
725 1 33 PRO HA 1 69 TRP HH2 . . 4.460 2.958 1.989 4.349 . 0 0 "[ . 1 . 2]" 2
726 1 33 PRO HB2 1 34 GLY H . . 4.550 3.707 3.295 3.839 . 0 0 "[ . 1 . 2]" 2
727 1 33 PRO HB2 1 63 ASN HD21 . . 6.900 4.094 1.967 6.192 . 0 0 "[ . 1 . 2]" 2
728 1 33 PRO HB2 1 63 ASN HD22 . . 6.900 3.888 2.325 5.993 . 0 0 "[ . 1 . 2]" 2
729 1 33 PRO HB2 1 65 GLY H . . 5.700 4.701 3.579 5.781 0.081 8 0 "[ . 1 . 2]" 2
730 1 33 PRO HB2 1 65 GLY HA2 . . 7.450 3.671 2.613 5.943 . 0 0 "[ . 1 . 2]" 2
731 1 33 PRO HB2 1 65 GLY HA3 . . 7.450 4.473 3.445 6.995 . 0 0 "[ . 1 . 2]" 2
732 1 33 PRO HB3 1 34 GLY H . . 4.550 4.014 3.729 4.109 . 0 0 "[ . 1 . 2]" 2
733 1 33 PRO HB3 1 63 ASN HD21 . . 6.900 4.307 2.053 5.754 . 0 0 "[ . 1 . 2]" 2
734 1 33 PRO HB3 1 63 ASN HD22 . . 6.900 4.328 2.671 5.458 . 0 0 "[ . 1 . 2]" 2
735 1 33 PRO HB3 1 65 GLY H . . 5.700 4.635 3.975 5.143 . 0 0 "[ . 1 . 2]" 2
736 1 33 PRO HB3 1 65 GLY HA2 . . 7.450 3.414 2.547 5.776 . 0 0 "[ . 1 . 2]" 2
737 1 33 PRO HB3 1 65 GLY HA3 . . 7.450 4.601 3.777 6.223 . 0 0 "[ . 1 . 2]" 2
738 1 33 PRO QB 1 63 ASN QD . . 5.490 3.066 1.829 4.268 . 0 0 "[ . 1 . 2]" 2
739 1 33 PRO QB 1 65 GLY QA . . 5.970 2.983 2.252 4.762 . 0 0 "[ . 1 . 2]" 2
740 1 33 PRO HG2 1 65 GLY HA2 . . 7.450 3.947 3.131 5.481 . 0 0 "[ . 1 . 2]" 2
741 1 33 PRO HG2 1 65 GLY HA3 . . 7.450 4.238 2.909 6.735 . 0 0 "[ . 1 . 2]" 2
742 1 33 PRO HG3 1 65 GLY HA2 . . 7.450 3.311 2.490 4.668 . 0 0 "[ . 1 . 2]" 2
743 1 33 PRO HG3 1 65 GLY HA3 . . 7.450 3.955 2.812 5.526 . 0 0 "[ . 1 . 2]" 2
744 1 33 PRO QG 1 63 ASN QD . . 7.440 4.788 3.444 5.962 . 0 0 "[ . 1 . 2]" 2
745 1 33 PRO QG 1 65 GLY H . . 6.580 4.770 4.018 5.724 . 0 0 "[ . 1 . 2]" 2
746 1 33 PRO QG 1 65 GLY QA . . 6.520 2.934 2.205 4.110 . 0 0 "[ . 1 . 2]" 2
747 1 34 GLY H 1 35 VAL H . . 10.200 4.345 3.832 4.569 . 0 0 "[ . 1 . 2]" 2
748 1 34 GLY H 1 63 ASN QD . . 6.570 3.674 2.901 4.609 . 0 0 "[ . 1 . 2]" 2
749 1 34 GLY H 1 69 TRP HZ2 . . 5.700 5.502 5.089 5.758 0.058 20 0 "[ . 1 . 2]" 2
750 1 34 GLY H 1 69 TRP HH2 . . 5.700 3.724 2.831 4.807 . 0 0 "[ . 1 . 2]" 2
751 1 34 GLY HA2 1 35 VAL HB . . 4.770 4.317 4.158 4.572 . 0 0 "[ . 1 . 2]" 2
752 1 34 GLY HA2 1 35 VAL MG1 . . 9.010 4.601 4.207 5.116 . 0 0 "[ . 1 . 2]" 2
753 1 34 GLY HA2 1 35 VAL MG2 . . 9.010 5.417 5.050 5.657 . 0 0 "[ . 1 . 2]" 2
754 1 34 GLY HA3 1 35 VAL H . . 3.070 2.217 2.201 2.243 . 0 0 "[ . 1 . 2]" 2
755 1 34 GLY HA3 1 35 VAL HB . . 4.770 4.432 4.191 4.673 . 0 0 "[ . 1 . 2]" 2
756 1 34 GLY HA3 1 35 VAL MG1 . . 9.010 4.070 3.647 4.508 . 0 0 "[ . 1 . 2]" 2
757 1 34 GLY HA3 1 35 VAL MG2 . . 9.010 5.411 5.229 5.497 . 0 0 "[ . 1 . 2]" 2
758 1 34 GLY QA 1 35 VAL H . . 2.790 2.183 2.170 2.217 . 0 0 "[ . 1 . 2]" 2
759 1 34 GLY QA 1 35 VAL HB . . 4.590 3.889 3.763 4.040 . 0 0 "[ . 1 . 2]" 2
760 1 34 GLY QA 1 35 VAL QG . . 7.380 3.662 3.440 3.890 . 0 0 "[ . 1 . 2]" 2
761 1 35 VAL H 1 35 VAL QG . . 4.190 2.363 2.101 2.660 . 0 0 "[ . 1 . 2]" 2
762 1 35 VAL H 1 36 LYS H . . 10.200 4.384 4.306 4.444 . 0 0 "[ . 1 . 2]" 2
763 1 35 VAL H 1 48 ILE MD . . 6.730 4.552 4.213 4.744 . 0 0 "[ . 1 . 2]" 2
764 1 35 VAL HA 1 36 LYS H . . 2.600 2.275 2.211 2.403 . 0 0 "[ . 1 . 2]" 2
765 1 35 VAL HB 1 48 ILE MD . . 5.550 4.194 3.661 4.512 . 0 0 "[ . 1 . 2]" 2
766 1 35 VAL MG1 1 37 MET HA . . 6.540 3.501 3.236 3.829 . 0 0 "[ . 1 . 2]" 2
767 1 35 VAL MG2 1 37 MET HA . . 6.540 4.737 4.268 5.336 . 0 0 "[ . 1 . 2]" 2
768 1 35 VAL QG 1 36 LYS H . . 6.150 2.309 2.070 2.628 . 0 0 "[ . 1 . 2]" 2
769 1 35 VAL QG 1 37 MET HA . . 6.170 3.398 3.207 3.705 . 0 0 "[ . 1 . 2]" 2
770 1 35 VAL QG 1 38 GLN H . . 7.950 4.313 3.950 4.821 . 0 0 "[ . 1 . 2]" 2
771 1 36 LYS H 1 36 LYS HA . . 3.100 2.805 2.758 2.868 . 0 0 "[ . 1 . 2]" 2
772 1 36 LYS H 1 36 LYS QB . . 3.550 2.164 2.003 2.209 . 0 0 "[ . 1 . 2]" 2
773 1 36 LYS H 1 36 LYS QE . . 6.580 4.920 3.986 5.879 . 0 0 "[ . 1 . 2]" 2
774 1 36 LYS H 1 37 MET H . . 10.200 4.463 4.359 4.610 . 0 0 "[ . 1 . 2]" 2
775 1 36 LYS HA 1 36 LYS HG2 . . 4.310 2.852 2.606 3.621 . 0 0 "[ . 1 . 2]" 2
776 1 36 LYS HA 1 36 LYS HG3 . . 4.310 2.866 1.986 3.419 . 0 0 "[ . 1 . 2]" 2
777 1 36 LYS HA 1 36 LYS QG . . 4.000 2.516 1.956 3.127 . 0 0 "[ . 1 . 2]" 2
778 1 36 LYS HA 1 37 MET H . . 2.600 2.184 2.177 2.213 . 0 0 "[ . 1 . 2]" 2
779 1 36 LYS HA 1 37 MET HA . . 4.650 4.340 4.292 4.374 . 0 0 "[ . 1 . 2]" 2
780 1 36 LYS QB 1 37 MET H . . 4.690 3.918 3.404 4.016 . 0 0 "[ . 1 . 2]" 2
781 1 36 LYS HG2 1 37 MET H . . 4.060 3.232 2.740 4.106 0.046 14 0 "[ . 1 . 2]" 2
782 1 36 LYS HG3 1 37 MET H . . 4.060 3.898 3.404 4.119 0.059 3 0 "[ . 1 . 2]" 2
783 1 36 LYS QE 1 37 MET H . . 6.580 4.996 4.053 5.739 . 0 0 "[ . 1 . 2]" 2
784 1 37 MET H 1 37 MET QB . . 3.850 2.276 2.024 2.482 . 0 0 "[ . 1 . 2]" 2
785 1 37 MET H 1 37 MET HG2 . . 3.780 3.699 3.296 3.881 0.101 5 0 "[ . 1 . 2]" 2
786 1 37 MET H 1 37 MET HG3 . . 3.780 2.500 2.085 3.309 . 0 0 "[ . 1 . 2]" 2
787 1 37 MET H 1 37 MET QG . . 3.440 2.446 2.071 3.017 . 0 0 "[ . 1 . 2]" 2
788 1 37 MET HA 1 46 ALA MB . . 6.630 3.919 3.705 4.095 . 0 0 "[ . 1 . 2]" 2
789 1 37 MET HA 1 47 LYS H . . 4.310 4.452 4.355 4.544 0.234 5 0 "[ . 1 . 2]" 2
790 1 37 MET HA 1 48 ILE HB . . 5.170 2.945 2.665 3.248 . 0 0 "[ . 1 . 2]" 2
791 1 37 MET HA 1 48 ILE MG . . 6.730 4.305 3.944 4.599 . 0 0 "[ . 1 . 2]" 2
792 1 37 MET HA 1 48 ILE MD . . 5.330 2.581 1.746 4.130 . 0 0 "[ . 1 . 2]" 2
793 1 37 MET HB2 1 46 ALA MB . . 5.050 2.297 1.903 2.668 . 0 0 "[ . 1 . 2]" 2
794 1 37 MET HB3 1 46 ALA MB . . 5.050 1.786 1.740 1.924 . 0 0 "[ . 1 . 2]" 2
795 1 37 MET QB 1 38 GLN H . . 3.980 3.339 3.085 3.440 . 0 0 "[ . 1 . 2]" 2
796 1 37 MET QB 1 46 ALA MB . . 4.760 1.718 1.624 1.833 . 0 0 "[ . 1 . 2]" 2
797 1 37 MET QB 1 47 LYS H . . 5.090 3.154 3.014 3.299 . 0 0 "[ . 1 . 2]" 2
798 1 37 MET HG2 1 48 ILE HA . . 5.700 4.916 4.126 5.725 0.025 8 0 "[ . 1 . 2]" 2
799 1 37 MET HG2 1 48 ILE HB . . 5.450 2.455 1.934 3.205 . 0 0 "[ . 1 . 2]" 2
800 1 37 MET HG2 1 48 ILE MG . . 6.700 3.315 2.931 3.802 . 0 0 "[ . 1 . 2]" 2
801 1 37 MET HG2 1 48 ILE MD . . 6.010 3.756 2.389 4.973 . 0 0 "[ . 1 . 2]" 2
802 1 37 MET HG3 1 48 ILE HA . . 5.700 5.711 5.472 5.849 0.149 16 0 "[ . 1 . 2]" 2
803 1 37 MET HG3 1 48 ILE HB . . 5.450 3.455 3.109 3.715 . 0 0 "[ . 1 . 2]" 2
804 1 37 MET HG3 1 48 ILE MG . . 6.700 3.960 3.538 4.305 . 0 0 "[ . 1 . 2]" 2
805 1 37 MET HG3 1 48 ILE MD . . 6.010 3.769 2.843 4.798 . 0 0 "[ . 1 . 2]" 2
806 1 37 MET QG 1 46 ALA MB . . 7.420 3.090 2.910 3.382 . 0 0 "[ . 1 . 2]" 2
807 1 37 MET QG 1 47 LYS H . . 6.580 4.683 4.292 4.952 . 0 0 "[ . 1 . 2]" 2
808 1 37 MET QG 1 48 ILE HA . . 5.570 4.595 4.044 5.078 . 0 0 "[ . 1 . 2]" 2
809 1 37 MET QG 1 48 ILE HB . . 4.850 2.368 1.925 2.975 . 0 0 "[ . 1 . 2]" 2
810 1 37 MET QG 1 48 ILE MG . . 6.020 3.141 2.835 3.564 . 0 0 "[ . 1 . 2]" 2
811 1 37 MET QG 1 48 ILE MD . . 5.440 3.273 2.364 4.148 . 0 0 "[ . 1 . 2]" 2
812 1 38 GLN H 1 38 GLN QB . . 3.730 2.600 2.510 2.655 . 0 0 "[ . 1 . 2]" 2
813 1 38 GLN H 1 38 GLN HG2 . . 3.840 2.336 1.902 3.453 . 0 0 "[ . 1 . 2]" 2
814 1 38 GLN H 1 38 GLN HG3 . . 3.840 2.671 1.889 3.465 . 0 0 "[ . 1 . 2]" 2
815 1 38 GLN H 1 38 GLN QG . . 3.400 1.908 1.868 1.970 . 0 0 "[ . 1 . 2]" 2
816 1 38 GLN H 1 38 GLN HE21 . . 5.700 3.815 1.907 5.097 . 0 0 "[ . 1 . 2]" 2
817 1 38 GLN H 1 38 GLN HE22 . . 5.700 4.830 3.483 5.757 0.057 16 0 "[ . 1 . 2]" 2
818 1 38 GLN H 1 39 ASP H . . 10.200 4.626 4.597 4.638 . 0 0 "[ . 1 . 2]" 2
819 1 38 GLN H 1 47 LYS H . . 3.340 3.330 3.077 3.460 0.120 3 0 "[ . 1 . 2]" 2
820 1 38 GLN H 1 48 ILE MD . . 5.580 2.825 1.859 4.724 . 0 0 "[ . 1 . 2]" 2
821 1 38 GLN HA 1 38 GLN HB2 . . 3.100 3.046 3.041 3.052 . 0 0 "[ . 1 . 2]" 2
822 1 38 GLN HA 1 38 GLN HB3 . . 3.100 2.440 2.409 2.485 . 0 0 "[ . 1 . 2]" 2
823 1 38 GLN HA 1 38 GLN HG2 . . 4.120 2.945 2.507 3.440 . 0 0 "[ . 1 . 2]" 2
824 1 38 GLN HA 1 38 GLN HG3 . . 4.120 3.479 2.568 3.815 . 0 0 "[ . 1 . 2]" 2
825 1 38 GLN HA 1 39 ASP H . . 2.600 2.623 2.594 2.648 0.048 7 0 "[ . 1 . 2]" 2
826 1 38 GLN HA 1 46 ALA MB . . 6.730 4.859 4.688 5.064 . 0 0 "[ . 1 . 2]" 2
827 1 38 GLN HA 1 47 LYS H . . 4.240 4.301 4.254 4.381 0.141 12 0 "[ . 1 . 2]" 2
828 1 38 GLN HB2 1 39 ASP H . . 3.190 3.248 3.190 3.313 0.123 14 0 "[ . 1 . 2]" 2
829 1 38 GLN HB3 1 39 ASP H . . 3.190 2.283 2.199 2.345 . 0 0 "[ . 1 . 2]" 2
830 1 38 GLN QB 1 39 ASP H . . 2.890 2.240 2.168 2.290 . 0 0 "[ . 1 . 2]" 2
831 1 38 GLN HG2 1 39 ASP H . . 4.920 4.636 4.230 4.973 0.053 3 0 "[ . 1 . 2]" 2
832 1 38 GLN HG3 1 39 ASP H . . 4.920 4.789 4.571 4.988 0.068 19 0 "[ . 1 . 2]" 2
833 1 38 GLN O 1 47 LYS N . . 2.700 2.929 2.899 2.965 0.265 11 0 "[ . 1 . 2]" 2
834 1 38 GLN O 1 47 LYS H . . 1.800 2.025 2.003 2.069 0.269 11 0 "[ . 1 . 2]" 2
835 1 39 ASP H 1 40 ALA H . . 10.200 4.568 4.522 4.587 . 0 0 "[ . 1 . 2]" 2
836 1 39 ASP H 1 46 ALA MB . . 6.730 5.362 5.245 5.471 . 0 0 "[ . 1 . 2]" 2
837 1 39 ASP HA 1 40 ALA H . . 2.600 2.295 2.284 2.308 . 0 0 "[ . 1 . 2]" 2
838 1 39 ASP HA 1 40 ALA MB . . 6.730 3.899 3.881 3.915 . 0 0 "[ . 1 . 2]" 2
839 1 39 ASP HA 1 46 ALA HA . . 2.940 3.028 2.756 3.108 0.168 5 0 "[ . 1 . 2]" 2
840 1 39 ASP HA 1 46 ALA MB . . 5.020 3.937 3.844 4.011 . 0 0 "[ . 1 . 2]" 2
841 1 39 ASP HB2 1 40 ALA H . . 3.720 3.636 3.260 3.724 0.004 10 0 "[ . 1 . 2]" 2
842 1 39 ASP HB3 1 40 ALA H . . 3.720 3.433 3.324 3.772 0.052 1 0 "[ . 1 . 2]" 2
843 1 39 ASP QB 1 40 ALA H . . 3.370 3.128 3.076 3.171 . 0 0 "[ . 1 . 2]" 2
844 1 40 ALA N 1 45 TYR O . . 2.700 2.613 2.553 2.732 0.032 18 0 "[ . 1 . 2]" 2
845 1 40 ALA H 1 40 ALA HA . . 3.100 2.940 2.933 2.942 . 0 0 "[ . 1 . 2]" 2
846 1 40 ALA H 1 41 GLU H . . 4.340 4.181 4.100 4.334 . 0 0 "[ . 1 . 2]" 2
847 1 40 ALA H 1 42 ILE H . . 10.200 4.973 4.902 5.153 . 0 0 "[ . 1 . 2]" 2
848 1 40 ALA H 1 45 TYR H . . 4.430 3.293 2.970 3.504 . 0 0 "[ . 1 . 2]" 2
849 1 40 ALA H 1 45 TYR QB . . 6.580 3.935 3.455 4.078 . 0 0 "[ . 1 . 2]" 2
850 1 40 ALA H 1 45 TYR O . . 1.800 1.747 1.697 1.768 . 0 0 "[ . 1 . 2]" 2
851 1 40 ALA H 1 46 ALA H . . 10.200 4.536 4.161 4.666 . 0 0 "[ . 1 . 2]" 2
852 1 40 ALA H 1 46 ALA HA . . 2.720 2.753 2.687 2.786 0.066 14 0 "[ . 1 . 2]" 2
853 1 40 ALA H 1 47 LYS H . . 10.200 4.190 4.059 4.310 . 0 0 "[ . 1 . 2]" 2
854 1 40 ALA H 1 47 LYS QB . . 6.580 4.916 4.250 5.103 . 0 0 "[ . 1 . 2]" 2
855 1 40 ALA H 1 47 LYS QG . . 6.580 4.301 4.108 5.131 . 0 0 "[ . 1 . 2]" 2
856 1 40 ALA HA 1 47 LYS HB2 . . 4.860 3.766 3.253 3.902 . 0 0 "[ . 1 . 2]" 2
857 1 40 ALA HA 1 47 LYS HB3 . . 4.860 5.003 4.824 5.056 0.196 11 0 "[ . 1 . 2]" 2
858 1 40 ALA HA 1 47 LYS QB . . 4.280 3.662 3.205 3.771 . 0 0 "[ . 1 . 2]" 2
859 1 40 ALA HA 1 47 LYS HG2 . . 5.360 4.387 4.086 5.401 0.041 18 0 "[ . 1 . 2]" 2
860 1 40 ALA HA 1 47 LYS HG3 . . 5.360 3.224 2.992 3.961 . 0 0 "[ . 1 . 2]" 2
861 1 40 ALA HA 1 47 LYS QG . . 4.810 3.146 2.921 3.867 . 0 0 "[ . 1 . 2]" 2
862 1 40 ALA HA 1 47 LYS HD2 . . 4.860 2.562 2.088 4.878 0.018 18 0 "[ . 1 . 2]" 2
863 1 40 ALA HA 1 47 LYS HD3 . . 4.860 2.038 1.949 3.246 . 0 0 "[ . 1 . 2]" 2
864 1 40 ALA HA 1 47 LYS QD . . 4.420 1.950 1.806 3.201 . 0 0 "[ . 1 . 2]" 2
865 1 40 ALA HA 1 47 LYS HE2 . . 5.550 4.478 4.353 5.439 . 0 0 "[ . 1 . 2]" 2
866 1 40 ALA HA 1 47 LYS HE3 . . 5.550 4.670 4.447 4.947 . 0 0 "[ . 1 . 2]" 2
867 1 40 ALA HA 1 47 LYS QE . . 4.930 4.059 3.924 4.416 . 0 0 "[ . 1 . 2]" 2
868 1 40 ALA MB 1 41 GLU H . . 4.560 3.502 3.372 3.551 . 0 0 "[ . 1 . 2]" 2
869 1 40 ALA MB 1 41 GLU HA . . 6.730 4.533 4.469 4.564 . 0 0 "[ . 1 . 2]" 2
870 1 40 ALA MB 1 42 ILE H . . 3.750 2.904 2.725 2.983 . 0 0 "[ . 1 . 2]" 2
871 1 40 ALA MB 1 42 ILE MD . . 7.760 3.097 2.056 3.612 . 0 0 "[ . 1 . 2]" 2
872 1 40 ALA MB 1 45 TYR QB . . 5.590 1.725 1.666 1.761 . 0 0 "[ . 1 . 2]" 2
873 1 40 ALA MB 1 46 ALA HA . . 5.610 2.372 2.250 2.782 . 0 0 "[ . 1 . 2]" 2
874 1 40 ALA MB 1 47 LYS HB2 . . 5.240 3.421 2.822 3.661 . 0 0 "[ . 1 . 2]" 2
875 1 40 ALA MB 1 47 LYS HB3 . . 5.240 4.164 4.069 4.221 . 0 0 "[ . 1 . 2]" 2
876 1 40 ALA MB 1 47 LYS QB . . 5.100 3.268 2.778 3.451 . 0 0 "[ . 1 . 2]" 2
877 1 40 ALA MB 1 47 LYS QG . . 6.960 1.763 1.723 2.256 . 0 0 "[ . 1 . 2]" 2
878 1 40 ALA MB 1 47 LYS HE2 . . 6.730 4.368 4.163 5.163 . 0 0 "[ . 1 . 2]" 2
879 1 40 ALA MB 1 47 LYS HE3 . . 6.730 4.054 3.926 4.575 . 0 0 "[ . 1 . 2]" 2
880 1 40 ALA MB 1 47 LYS QE . . 6.550 3.731 3.660 4.284 . 0 0 "[ . 1 . 2]" 2
881 1 40 ALA O 1 45 TYR N . . 2.700 3.121 3.084 3.144 0.444 12 0 "[ . 1 . 2]" 2
882 1 40 ALA O 1 45 TYR H . . 1.800 2.132 2.109 2.152 0.352 12 0 "[ . 1 . 2]" 2
883 1 41 GLU H 1 41 GLU HG2 . . 5.390 2.174 2.066 2.322 . 0 0 "[ . 1 . 2]" 2
884 1 41 GLU H 1 41 GLU HG3 . . 5.390 3.397 3.308 3.567 . 0 0 "[ . 1 . 2]" 2
885 1 41 GLU H 1 41 GLU QG . . 4.950 2.150 2.047 2.292 . 0 0 "[ . 1 . 2]" 2
886 1 41 GLU H 1 42 ILE H . . 3.070 2.670 2.551 2.733 . 0 0 "[ . 1 . 2]" 2
887 1 41 GLU H 1 42 ILE MD . . 6.730 3.850 3.636 4.227 . 0 0 "[ . 1 . 2]" 2
888 1 41 GLU H 1 45 TYR QB . . 6.020 5.196 5.060 5.272 . 0 0 "[ . 1 . 2]" 2
889 1 41 GLU H 1 47 LYS QG . . 6.580 4.996 4.714 5.661 . 0 0 "[ . 1 . 2]" 2
890 1 41 GLU H 1 47 LYS QE . . 6.580 5.130 4.813 5.575 . 0 0 "[ . 1 . 2]" 2
891 1 41 GLU QB 1 42 ILE HA . . 5.740 4.748 4.720 4.776 . 0 0 "[ . 1 . 2]" 2
892 1 41 GLU HG2 1 42 ILE HG12 . . 5.700 4.855 4.361 5.833 0.133 10 0 "[ . 1 . 2]" 2
893 1 41 GLU HG2 1 42 ILE HG13 . . 5.700 5.254 4.009 5.768 0.068 14 0 "[ . 1 . 2]" 2
894 1 41 GLU HG2 1 42 ILE MD . . 5.800 3.288 2.862 4.220 . 0 0 "[ . 1 . 2]" 2
895 1 41 GLU HG3 1 42 ILE HG12 . . 5.700 5.037 4.682 5.735 0.035 6 0 "[ . 1 . 2]" 2
896 1 41 GLU HG3 1 42 ILE HG13 . . 5.700 5.243 4.020 5.769 0.069 7 0 "[ . 1 . 2]" 2
897 1 41 GLU HG3 1 42 ILE MD . . 5.800 3.333 2.646 4.825 . 0 0 "[ . 1 . 2]" 2
898 1 41 GLU QG 1 42 ILE H . . 6.240 2.670 2.549 2.744 . 0 0 "[ . 1 . 2]" 2
899 1 41 GLU QG 1 42 ILE HA . . 6.580 3.171 3.084 3.233 . 0 0 "[ . 1 . 2]" 2
900 1 41 GLU QG 1 42 ILE QG . . 5.030 3.820 3.509 3.968 . 0 0 "[ . 1 . 2]" 2
901 1 41 GLU QG 1 42 ILE MD . . 5.550 2.919 2.441 3.968 . 0 0 "[ . 1 . 2]" 2
902 1 42 ILE H 1 42 ILE HB . . 2.970 2.538 2.253 2.671 . 0 0 "[ . 1 . 2]" 2
903 1 42 ILE H 1 42 ILE HG12 . . 4.030 2.712 2.114 4.064 0.034 11 0 "[ . 1 . 2]" 2
904 1 42 ILE H 1 42 ILE HG13 . . 4.030 3.326 2.709 3.574 . 0 0 "[ . 1 . 2]" 2
905 1 42 ILE H 1 42 ILE MD . . 5.670 2.255 1.991 2.810 . 0 0 "[ . 1 . 2]" 2
906 1 42 ILE H 1 43 SER H . . 4.000 3.122 3.080 3.158 . 0 0 "[ . 1 . 2]" 2
907 1 42 ILE H 1 45 TYR H . . 4.520 4.405 4.297 4.594 0.074 16 0 "[ . 1 . 2]" 2
908 1 42 ILE H 1 45 TYR QB . . 5.310 3.726 3.672 3.808 . 0 0 "[ . 1 . 2]" 2
909 1 42 ILE H 1 45 TYR QD . . 7.840 5.556 5.425 5.642 . 0 0 "[ . 1 . 2]" 2
910 1 42 ILE HA 1 42 ILE HG12 . . 4.120 3.274 2.972 3.416 . 0 0 "[ . 1 . 2]" 2
911 1 42 ILE HA 1 42 ILE HG13 . . 4.120 3.113 2.075 3.568 . 0 0 "[ . 1 . 2]" 2
912 1 42 ILE HA 1 42 ILE QG . . 3.770 2.775 2.041 3.095 . 0 0 "[ . 1 . 2]" 2
913 1 42 ILE HA 1 45 TYR QD . . 7.840 5.990 5.715 6.127 . 0 0 "[ . 1 . 2]" 2
914 1 42 ILE HA 1 45 TYR QE . . 7.830 7.183 6.976 7.258 . 0 0 "[ . 1 . 2]" 2
915 1 42 ILE HB 1 43 SER H . . 3.750 2.688 2.571 2.903 . 0 0 "[ . 1 . 2]" 2
916 1 42 ILE HB 1 45 TYR QD . . 7.340 3.716 3.338 4.035 . 0 0 "[ . 1 . 2]" 2
917 1 42 ILE HB 1 45 TYR QE . . 7.830 5.206 4.962 5.511 . 0 0 "[ . 1 . 2]" 2
918 1 42 ILE MG 1 43 SER H . . 4.340 3.242 2.692 3.503 . 0 0 "[ . 1 . 2]" 2
919 1 42 ILE MG 1 44 GLY QA . . 7.610 5.488 5.056 5.689 . 0 0 "[ . 1 . 2]" 2
920 1 42 ILE MG 1 45 TYR H . . 6.230 4.711 4.237 4.933 . 0 0 "[ . 1 . 2]" 2
921 1 42 ILE MG 1 45 TYR QB . . 7.140 3.128 2.738 3.320 . 0 0 "[ . 1 . 2]" 2
922 1 42 ILE MG 1 45 TYR QD . . 8.870 3.338 2.810 3.591 . 0 0 "[ . 1 . 2]" 2
923 1 42 ILE MG 1 45 TYR QE . . 7.120 3.879 3.544 4.073 . 0 0 "[ . 1 . 2]" 2
924 1 42 ILE MG 1 103 ALA HA . . 6.730 4.774 4.549 5.055 . 0 0 "[ . 1 . 2]" 2
925 1 42 ILE MG 1 104 GLY H . . 6.080 3.108 2.504 4.907 . 0 0 "[ . 1 . 2]" 2
926 1 42 ILE MG 1 104 GLY QA . . 6.950 3.209 2.271 5.099 . 0 0 "[ . 1 . 2]" 2
927 1 42 ILE HG12 1 43 SER H . . 5.200 4.579 4.255 5.287 0.087 18 0 "[ . 1 . 2]" 2
928 1 42 ILE HG12 1 45 TYR QD . . 7.840 4.946 4.323 5.471 . 0 0 "[ . 1 . 2]" 2
929 1 42 ILE HG12 1 45 TYR QE . . 7.830 6.373 6.150 6.515 . 0 0 "[ . 1 . 2]" 2
930 1 42 ILE HG13 1 43 SER H . . 5.200 5.037 4.829 5.142 . 0 0 "[ . 1 . 2]" 2
931 1 42 ILE HG13 1 45 TYR QD . . 7.840 4.983 3.690 6.142 . 0 0 "[ . 1 . 2]" 2
932 1 42 ILE HG13 1 45 TYR QE . . 7.830 6.252 5.280 7.307 . 0 0 "[ . 1 . 2]" 2
933 1 42 ILE MD 1 43 SER H . . 6.230 4.362 4.286 4.502 . 0 0 "[ . 1 . 2]" 2
934 1 42 ILE MD 1 45 TYR H . . 6.730 5.455 4.818 5.733 . 0 0 "[ . 1 . 2]" 2
935 1 42 ILE MD 1 45 TYR QB . . 7.600 3.924 2.832 4.390 . 0 0 "[ . 1 . 2]" 2
936 1 42 ILE MD 1 45 TYR QD . . 8.870 4.913 3.665 5.490 . 0 0 "[ . 1 . 2]" 2
937 1 42 ILE MD 1 45 TYR QE . . 8.860 6.064 4.897 6.570 . 0 0 "[ . 1 . 2]" 2
938 1 42 ILE MD 1 103 ALA HA . . 6.290 5.087 4.870 5.231 . 0 0 "[ . 1 . 2]" 2
939 1 42 ILE MD 1 104 GLY H . . 5.700 4.516 4.266 4.773 . 0 0 "[ . 1 . 2]" 2
940 1 42 ILE MD 1 104 GLY QA . . 7.290 5.027 3.731 5.444 . 0 0 "[ . 1 . 2]" 2
941 1 43 SER H 1 43 SER QB . . 3.760 3.179 3.163 3.192 . 0 0 "[ . 1 . 2]" 2
942 1 43 SER H 1 45 TYR H . . 4.800 2.881 2.650 3.031 . 0 0 "[ . 1 . 2]" 2
943 1 43 SER H 1 45 TYR QB . . 6.390 3.064 2.902 3.143 . 0 0 "[ . 1 . 2]" 2
944 1 43 SER H 1 45 TYR QD . . 7.840 3.745 3.443 4.166 . 0 0 "[ . 1 . 2]" 2
945 1 43 SER H 1 45 TYR QE . . 7.830 5.656 5.458 5.741 . 0 0 "[ . 1 . 2]" 2
946 1 43 SER HA 1 44 GLY H . . 2.820 2.734 2.591 2.797 . 0 0 "[ . 1 . 2]" 2
947 1 43 SER HA 1 45 TYR H . . 10.200 4.844 4.685 4.895 . 0 0 "[ . 1 . 2]" 2
948 1 43 SER HA 1 45 TYR QD . . 7.840 5.108 4.724 5.571 . 0 0 "[ . 1 . 2]" 2
949 1 43 SER QB 1 45 TYR H . . 5.800 5.115 4.902 5.227 . 0 0 "[ . 1 . 2]" 2
950 1 44 GLY H 1 45 TYR H . . 3.280 2.352 2.248 2.566 . 0 0 "[ . 1 . 2]" 2
951 1 44 GLY H 1 45 TYR QB . . 6.170 3.809 3.712 4.000 . 0 0 "[ . 1 . 2]" 2
952 1 44 GLY H 1 45 TYR QD . . 7.840 3.965 3.681 4.236 . 0 0 "[ . 1 . 2]" 2
953 1 44 GLY HA2 1 45 TYR H . . 3.590 2.799 2.727 2.904 . 0 0 "[ . 1 . 2]" 2
954 1 44 GLY HA2 1 45 TYR QD . . 7.840 4.368 4.155 4.750 . 0 0 "[ . 1 . 2]" 2
955 1 44 GLY HA3 1 45 TYR H . . 3.590 3.634 3.614 3.643 0.053 6 0 "[ . 1 . 2]" 2
956 1 44 GLY HA3 1 45 TYR QD . . 7.840 3.692 3.472 4.107 . 0 0 "[ . 1 . 2]" 2
957 1 45 TYR HA 1 46 ALA H . . 2.880 2.644 2.565 2.729 . 0 0 "[ . 1 . 2]" 2
958 1 45 TYR HA 1 46 ALA MB . . 10.200 3.776 3.766 3.796 . 0 0 "[ . 1 . 2]" 2
959 1 45 TYR QB 1 46 ALA H . . 4.470 2.241 2.114 2.367 . 0 0 "[ . 1 . 2]" 2
960 1 45 TYR QD 1 46 ALA H . . 7.840 3.238 2.803 3.879 . 0 0 "[ . 1 . 2]" 2
961 1 45 TYR QD 1 85 THR MG . . 8.120 3.871 3.595 4.189 . 0 0 "[ . 1 . 2]" 2
962 1 45 TYR QD 1 102 PRO HB2 . . 7.840 5.657 4.634 6.055 . 0 0 "[ . 1 . 2]" 2
963 1 45 TYR QD 1 102 PRO HB3 . . 7.840 5.715 4.970 6.017 . 0 0 "[ . 1 . 2]" 2
964 1 45 TYR QE 1 46 ALA H . . 7.830 5.248 4.933 5.589 . 0 0 "[ . 1 . 2]" 2
965 1 45 TYR QE 1 85 THR MG . . 6.750 2.934 2.647 3.284 . 0 0 "[ . 1 . 2]" 2
966 1 45 TYR QE 1 102 PRO HB2 . . 7.830 5.053 3.306 5.572 . 0 0 "[ . 1 . 2]" 2
967 1 45 TYR QE 1 102 PRO HB3 . . 7.830 4.626 3.224 4.999 . 0 0 "[ . 1 . 2]" 2
968 1 45 TYR QE 1 102 PRO QB . . 7.700 4.280 2.907 4.661 . 0 0 "[ . 1 . 2]" 2
969 1 46 ALA H 1 47 LYS H . . 4.400 4.459 4.417 4.501 0.101 14 0 "[ . 1 . 2]" 2
970 1 46 ALA HA 1 47 LYS H . . 2.820 2.313 2.277 2.344 . 0 0 "[ . 1 . 2]" 2
971 1 46 ALA HA 1 47 LYS HA . . 4.520 4.411 4.399 4.427 . 0 0 "[ . 1 . 2]" 2
972 1 47 LYS H 1 47 LYS QB . . 3.820 2.592 2.457 2.696 . 0 0 "[ . 1 . 2]" 2
973 1 47 LYS H 1 47 LYS QG . . 5.030 3.110 2.966 3.819 . 0 0 "[ . 1 . 2]" 2
974 1 47 LYS H 1 48 ILE H . . 10.200 4.433 4.407 4.455 . 0 0 "[ . 1 . 2]" 2
975 1 47 LYS HA 1 47 LYS HD2 . . 5.700 4.764 4.501 4.848 . 0 0 "[ . 1 . 2]" 2
976 1 47 LYS HA 1 47 LYS HD3 . . 5.700 4.529 4.476 4.578 . 0 0 "[ . 1 . 2]" 2
977 1 47 LYS HA 1 47 LYS HE2 . . 5.700 4.652 4.371 5.609 . 0 0 "[ . 1 . 2]" 2
978 1 47 LYS HA 1 47 LYS HE3 . . 5.700 4.802 4.578 4.890 . 0 0 "[ . 1 . 2]" 2
979 1 47 LYS HA 1 48 ILE H . . 2.600 2.297 2.263 2.319 . 0 0 "[ . 1 . 2]" 2
980 1 47 LYS HA 1 48 ILE HA . . 4.520 4.445 4.432 4.453 . 0 0 "[ . 1 . 2]" 2
981 1 47 LYS HA 1 48 ILE MG . . 6.230 4.230 4.029 4.489 . 0 0 "[ . 1 . 2]" 2
982 1 47 LYS HB2 1 47 LYS HE2 . . 5.700 2.811 2.566 4.164 . 0 0 "[ . 1 . 2]" 2
983 1 47 LYS HB2 1 47 LYS HE3 . . 5.700 3.804 2.755 3.975 . 0 0 "[ . 1 . 2]" 2
984 1 47 LYS HB3 1 47 LYS HE2 . . 5.700 2.381 2.043 3.461 . 0 0 "[ . 1 . 2]" 2
985 1 47 LYS HB3 1 47 LYS HE3 . . 5.700 3.086 1.983 3.268 . 0 0 "[ . 1 . 2]" 2
986 1 47 LYS HE2 1 47 LYS HG2 . . 4.400 3.054 2.912 3.793 . 0 0 "[ . 1 . 2]" 2
987 1 47 LYS HE3 1 47 LYS HG2 . . 4.400 2.515 2.361 3.395 . 0 0 "[ . 1 . 2]" 2
988 1 47 LYS HE2 1 47 LYS HG3 . . 4.400 3.813 3.687 4.289 . 0 0 "[ . 1 . 2]" 2
989 1 47 LYS HE3 1 47 LYS HG3 . . 4.400 3.694 3.621 3.812 . 0 0 "[ . 1 . 2]" 2
990 1 47 LYS QG 1 48 ILE H . . 4.570 3.872 2.931 4.037 . 0 0 "[ . 1 . 2]" 2
991 1 47 LYS QD 1 48 ILE H . . 6.580 5.481 4.861 5.578 . 0 0 "[ . 1 . 2]" 2
992 1 47 LYS HE2 1 48 ILE H . . 5.700 5.200 4.938 5.846 0.146 18 0 "[ . 1 . 2]" 2
993 1 47 LYS HE3 1 48 ILE H . . 5.700 5.606 4.959 5.773 0.073 7 0 "[ . 1 . 2]" 2
994 1 48 ILE H 1 48 ILE MG . . 4.030 2.759 2.552 2.957 . 0 0 "[ . 1 . 2]" 2
995 1 48 ILE H 1 50 VAL QG . . 8.290 5.509 5.455 5.615 . 0 0 "[ . 1 . 2]" 2
996 1 48 ILE HA 1 48 ILE HB . . 2.850 2.654 2.595 2.727 . 0 0 "[ . 1 . 2]" 2
997 1 48 ILE HA 1 48 ILE HG12 . . 3.720 3.062 2.000 3.600 . 0 0 "[ . 1 . 2]" 2
998 1 48 ILE HA 1 48 ILE HG13 . . 3.720 2.909 2.402 3.490 . 0 0 "[ . 1 . 2]" 2
999 1 48 ILE HA 1 48 ILE QG . . 3.230 2.399 1.984 2.642 . 0 0 "[ . 1 . 2]" 2
1000 1 48 ILE HA 1 49 THR H . . 2.600 2.204 2.195 2.231 . 0 0 "[ . 1 . 2]" 2
1001 1 48 ILE HB 1 49 THR H . . 10.200 4.455 4.404 4.506 . 0 0 "[ . 1 . 2]" 2
1002 1 48 ILE MG 1 49 THR H . . 5.330 3.543 3.318 3.739 . 0 0 "[ . 1 . 2]" 2
1003 1 48 ILE MG 1 49 THR HA . . 5.610 3.543 3.383 3.744 . 0 0 "[ . 1 . 2]" 2
1004 1 48 ILE MG 1 50 VAL H . . 5.180 4.133 4.072 4.219 . 0 0 "[ . 1 . 2]" 2
1005 1 48 ILE MG 1 50 VAL QG . . 8.230 2.630 2.317 2.975 . 0 0 "[ . 1 . 2]" 2
1006 1 48 ILE HG12 1 50 VAL MG1 . . 9.260 6.214 5.607 7.121 . 0 0 "[ . 1 . 2]" 2
1007 1 48 ILE HG12 1 50 VAL MG2 . . 9.260 3.905 3.309 4.674 . 0 0 "[ . 1 . 2]" 2
1008 1 48 ILE HG13 1 50 VAL MG1 . . 9.260 5.722 5.097 6.705 . 0 0 "[ . 1 . 2]" 2
1009 1 48 ILE HG13 1 50 VAL MG2 . . 9.260 3.350 2.633 4.513 . 0 0 "[ . 1 . 2]" 2
1010 1 48 ILE QG 1 49 THR H . . 4.010 3.006 2.621 3.458 . 0 0 "[ . 1 . 2]" 2
1011 1 48 ILE QG 1 50 VAL QG . . 6.900 3.108 2.542 3.959 . 0 0 "[ . 1 . 2]" 2
1012 1 48 ILE MD 1 49 THR H . . 5.150 2.944 2.075 3.643 . 0 0 "[ . 1 . 2]" 2
1013 1 48 ILE MD 1 50 VAL QG . . 8.480 3.272 1.875 4.031 . 0 0 "[ . 1 . 2]" 2
1014 1 49 THR H 1 49 THR HB . . 2.910 2.823 2.773 2.879 . 0 0 "[ . 1 . 2]" 2
1015 1 49 THR H 1 50 VAL H . . 10.200 4.321 4.271 4.371 . 0 0 "[ . 1 . 2]" 2
1016 1 49 THR H 1 50 VAL QG . . 7.760 3.470 3.334 3.604 . 0 0 "[ . 1 . 2]" 2
1017 1 49 THR HA 1 50 VAL H . . 2.600 2.157 2.150 2.167 . 0 0 "[ . 1 . 2]" 2
1018 1 49 THR HA 1 50 VAL HB . . 10.200 4.652 4.506 4.792 . 0 0 "[ . 1 . 2]" 2
1019 1 49 THR HA 1 50 VAL MG1 . . 6.730 5.388 5.325 5.419 . 0 0 "[ . 1 . 2]" 2
1020 1 49 THR HA 1 50 VAL MG2 . . 6.730 3.310 3.126 3.553 . 0 0 "[ . 1 . 2]" 2
1021 1 49 THR HA 1 50 VAL QG . . 5.980 3.281 3.105 3.508 . 0 0 "[ . 1 . 2]" 2
1022 1 49 THR HB 1 50 VAL H . . 4.030 4.176 4.094 4.251 0.221 11 0 "[ . 1 . 2]" 2
1023 1 49 THR MG 1 50 VAL H . . 4.090 2.891 2.713 3.011 . 0 0 "[ . 1 . 2]" 2
1024 1 49 THR MG 1 50 VAL HA . . 5.520 4.348 4.217 4.460 . 0 0 "[ . 1 . 2]" 2
1025 1 49 THR MG 1 51 ASP H . . 6.450 5.119 4.974 5.249 . 0 0 "[ . 1 . 2]" 2
1026 1 50 VAL H 1 50 VAL HB . . 3.070 2.762 2.596 2.903 . 0 0 "[ . 1 . 2]" 2
1027 1 50 VAL H 1 51 ASP H . . 10.200 4.345 4.288 4.391 . 0 0 "[ . 1 . 2]" 2
1028 1 50 VAL HA 1 51 ASP H . . 2.600 2.224 2.196 2.260 . 0 0 "[ . 1 . 2]" 2
1029 1 50 VAL HA 1 51 ASP HA . . 4.650 4.296 4.286 4.306 . 0 0 "[ . 1 . 2]" 2
1030 1 50 VAL HA 1 51 ASP HB2 . . 4.920 4.609 4.570 4.657 . 0 0 "[ . 1 . 2]" 2
1031 1 50 VAL HA 1 51 ASP HB3 . . 4.920 4.467 4.423 4.517 . 0 0 "[ . 1 . 2]" 2
1032 1 50 VAL HB 1 51 ASP H . . 10.200 4.077 3.931 4.260 . 0 0 "[ . 1 . 2]" 2
1033 1 50 VAL HB 1 52 ILE MG . . 5.020 3.731 3.433 4.130 . 0 0 "[ . 1 . 2]" 2
1034 1 50 VAL MG1 1 51 ASP H . . 5.180 2.440 2.193 2.715 . 0 0 "[ . 1 . 2]" 2
1035 1 50 VAL MG1 1 52 ILE MG . . 7.760 3.331 2.827 3.835 . 0 0 "[ . 1 . 2]" 2
1036 1 50 VAL MG2 1 51 ASP H . . 5.180 4.189 4.083 4.288 . 0 0 "[ . 1 . 2]" 2
1037 1 50 VAL MG2 1 52 ILE MG . . 7.760 4.796 4.553 5.052 . 0 0 "[ . 1 . 2]" 2
1038 1 50 VAL QG 1 51 ASP H . . 4.430 2.423 2.185 2.682 . 0 0 "[ . 1 . 2]" 2
1039 1 50 VAL QG 1 51 ASP HA . . 8.290 4.051 3.913 4.232 . 0 0 "[ . 1 . 2]" 2
1040 1 50 VAL QG 1 52 ILE H . . 8.130 4.939 4.707 5.203 . 0 0 "[ . 1 . 2]" 2
1041 1 50 VAL QG 1 52 ILE HA . . 7.850 4.438 4.122 4.676 . 0 0 "[ . 1 . 2]" 2
1042 1 50 VAL QG 1 52 ILE MG . . 6.790 3.267 2.806 3.698 . 0 0 "[ . 1 . 2]" 2
1043 1 50 VAL QG 1 58 LEU QD . . 10.890 2.248 1.696 3.376 . 0 0 "[ . 1 . 2]" 2
1044 1 51 ASP H 1 51 ASP HB2 . . 2.940 2.771 2.717 2.823 . 0 0 "[ . 1 . 2]" 2
1045 1 51 ASP H 1 51 ASP HB3 . . 2.940 2.280 2.244 2.304 . 0 0 "[ . 1 . 2]" 2
1046 1 51 ASP H 1 51 ASP QB . . 2.700 2.179 2.160 2.199 . 0 0 "[ . 1 . 2]" 2
1047 1 51 ASP H 1 52 ILE H . . 10.200 4.611 4.597 4.620 . 0 0 "[ . 1 . 2]" 2
1048 1 51 ASP H 1 52 ILE MG . . 6.080 4.368 4.073 4.675 . 0 0 "[ . 1 . 2]" 2
1049 1 51 ASP HA 1 52 ILE H . . 2.600 2.367 2.359 2.377 . 0 0 "[ . 1 . 2]" 2
1050 1 51 ASP HA 1 52 ILE MG . . 5.920 3.329 3.188 3.582 . 0 0 "[ . 1 . 2]" 2
1051 1 51 ASP HA 1 53 GLY H . . 3.620 3.834 3.667 4.005 0.385 6 0 "[ . 1 . 2]" 2
1052 1 51 ASP HB2 1 52 ILE H . . 3.900 3.999 3.945 4.031 0.131 1 0 "[ . 1 . 2]" 2
1053 1 51 ASP HB3 1 52 ILE H . . 3.900 4.075 4.045 4.113 0.213 6 0 "[ . 1 . 2]" 2
1054 1 51 ASP QB 1 53 GLY H . . 5.560 3.855 3.599 4.727 . 0 0 "[ . 1 . 2]" 2
1055 1 52 ILE H 1 52 ILE HB . . 3.840 3.806 3.728 3.890 0.050 5 0 "[ . 1 . 2]" 2
1056 1 52 ILE H 1 52 ILE MG . . 4.370 2.739 2.557 2.888 . 0 0 "[ . 1 . 2]" 2
1057 1 52 ILE H 1 52 ILE HG12 . . 3.500 2.316 1.999 2.617 . 0 0 "[ . 1 . 2]" 2
1058 1 52 ILE H 1 52 ILE HG13 . . 3.500 3.181 2.948 3.356 . 0 0 "[ . 1 . 2]" 2
1059 1 52 ILE H 1 52 ILE QG . . 3.190 2.259 1.976 2.495 . 0 0 "[ . 1 . 2]" 2
1060 1 52 ILE H 1 52 ILE MD . . 5.300 3.929 3.632 4.160 . 0 0 "[ . 1 . 2]" 2
1061 1 52 ILE H 1 53 GLY H . . 2.940 2.045 1.814 2.329 . 0 0 "[ . 1 . 2]" 2
1062 1 52 ILE H 1 53 GLY HA2 . . 4.150 4.048 3.967 4.099 . 0 0 "[ . 1 . 2]" 2
1063 1 52 ILE H 1 53 GLY HA3 . . 4.150 4.281 4.082 4.551 0.401 10 0 "[ . 1 . 2]" 2
1064 1 52 ILE HA 1 52 ILE HB . . 2.940 2.387 2.344 2.451 . 0 0 "[ . 1 . 2]" 2
1065 1 52 ILE HA 1 53 GLY H . . 3.380 3.226 2.983 3.591 0.211 6 0 "[ . 1 . 2]" 2
1066 1 52 ILE HB 1 53 GLY H . . 4.400 4.427 3.902 4.619 0.219 13 0 "[ . 1 . 2]" 2
1067 1 52 ILE HB 1 55 ALA H . . 3.750 3.330 3.106 3.708 . 0 0 "[ . 1 . 2]" 2
1068 1 52 ILE HB 1 55 ALA MB . . 4.120 1.953 1.672 2.357 . 0 0 "[ . 1 . 2]" 2
1069 1 52 ILE MG 1 53 GLY H . . 5.860 4.147 3.893 4.291 . 0 0 "[ . 1 . 2]" 2
1070 1 52 ILE MG 1 57 GLN H . . 6.230 4.686 4.222 5.039 . 0 0 "[ . 1 . 2]" 2
1071 1 52 ILE MG 1 58 LEU H . . 5.150 3.980 3.607 4.171 . 0 0 "[ . 1 . 2]" 2
1072 1 52 ILE MG 1 81 THR MG . . 6.950 3.726 3.448 3.944 . 0 0 "[ . 1 . 2]" 2
1073 1 52 ILE HG12 1 53 GLY H . . 5.170 3.612 2.608 4.357 . 0 0 "[ . 1 . 2]" 2
1074 1 52 ILE HG12 1 55 ALA H . . 5.580 4.636 4.242 5.011 . 0 0 "[ . 1 . 2]" 2
1075 1 52 ILE HG13 1 53 GLY H . . 5.170 3.581 2.205 4.178 . 0 0 "[ . 1 . 2]" 2
1076 1 52 ILE HG13 1 55 ALA H . . 5.580 3.040 2.629 3.510 . 0 0 "[ . 1 . 2]" 2
1077 1 52 ILE QG 1 53 GLY H . . 5.020 3.189 2.093 3.721 . 0 0 "[ . 1 . 2]" 2
1078 1 52 ILE QG 1 55 ALA H . . 4.990 3.000 2.605 3.441 . 0 0 "[ . 1 . 2]" 2
1079 1 52 ILE QG 1 57 GLN H . . 6.580 4.624 4.400 4.934 . 0 0 "[ . 1 . 2]" 2
1080 1 52 ILE MD 1 53 GLY H . . 6.730 4.838 3.846 5.294 . 0 0 "[ . 1 . 2]" 2
1081 1 52 ILE MD 1 55 ALA H . . 5.800 4.015 3.850 4.386 . 0 0 "[ . 1 . 2]" 2
1082 1 52 ILE MD 1 55 ALA HA . . 6.670 4.572 4.209 4.850 . 0 0 "[ . 1 . 2]" 2
1083 1 52 ILE MD 1 55 ALA MB . . 6.170 2.750 1.997 3.271 . 0 0 "[ . 1 . 2]" 2
1084 1 52 ILE MD 1 56 SER H . . 5.670 4.255 3.909 4.513 . 0 0 "[ . 1 . 2]" 2
1085 1 52 ILE MD 1 56 SER HA . . 4.650 3.139 2.586 3.807 . 0 0 "[ . 1 . 2]" 2
1086 1 52 ILE MD 1 57 GLN H . . 4.220 2.997 2.757 3.363 . 0 0 "[ . 1 . 2]" 2
1087 1 52 ILE MD 1 57 GLN HA . . 5.390 2.745 2.327 3.036 . 0 0 "[ . 1 . 2]" 2
1088 1 52 ILE MD 1 80 SER H . . 6.730 5.694 5.169 5.937 . 0 0 "[ . 1 . 2]" 2
1089 1 52 ILE MD 1 80 SER HA . . 6.730 3.635 3.099 3.890 . 0 0 "[ . 1 . 2]" 2
1090 1 52 ILE MD 1 81 THR H . . 5.860 2.693 2.100 2.933 . 0 0 "[ . 1 . 2]" 2
1091 1 52 ILE MD 1 81 THR HA . . 5.740 2.794 2.562 3.052 . 0 0 "[ . 1 . 2]" 2
1092 1 52 ILE MD 1 81 THR HB . . 6.570 3.880 3.739 4.015 . 0 0 "[ . 1 . 2]" 2
1093 1 52 ILE MD 1 81 THR MG . . 6.830 1.681 1.633 1.735 . 0 0 "[ . 1 . 2]" 2
1094 1 52 ILE MD 1 82 GLY H . . 6.730 4.636 4.433 4.896 . 0 0 "[ . 1 . 2]" 2
1095 1 53 GLY H 1 53 GLY HA2 . . 2.940 2.546 2.247 2.757 . 0 0 "[ . 1 . 2]" 2
1096 1 53 GLY H 1 53 GLY HA3 . . 2.940 2.426 2.248 2.857 . 0 0 "[ . 1 . 2]" 2
1097 1 53 GLY H 1 53 GLY QA . . 2.730 2.159 2.151 2.180 . 0 0 "[ . 1 . 2]" 2
1098 1 53 GLY H 1 54 SER H . . 4.030 4.137 2.790 4.441 0.411 11 0 "[ . 1 . 2]" 2
1099 1 53 GLY H 1 55 ALA H . . 4.520 4.354 3.763 4.625 0.105 18 0 "[ . 1 . 2]" 2
1100 1 53 GLY H 1 55 ALA MB . . 6.730 4.948 4.424 5.528 . 0 0 "[ . 1 . 2]" 2
1101 1 53 GLY QA 1 54 SER H . . 3.390 2.329 2.175 2.955 . 0 0 "[ . 1 . 2]" 2
1102 1 54 SER H 1 54 SER QB . . 3.820 2.847 2.010 3.244 . 0 0 "[ . 1 . 2]" 2
1103 1 54 SER H 1 55 ALA H . . 2.970 2.157 1.774 2.776 . 0 0 "[ . 1 . 2]" 2
1104 1 54 SER H 1 55 ALA MB . . 5.830 4.046 3.503 4.410 . 0 0 "[ . 1 . 2]" 2
1105 1 54 SER HA 1 54 SER HB2 . . 2.880 2.859 2.574 3.007 0.127 13 0 "[ . 1 . 2]" 2
1106 1 54 SER HA 1 54 SER HB3 . . 2.880 2.853 2.701 3.045 0.165 7 0 "[ . 1 . 2]" 2
1107 1 54 SER HA 1 55 ALA H . . 3.310 3.424 3.282 3.480 0.170 18 0 "[ . 1 . 2]" 2
1108 1 54 SER HB2 1 55 ALA H . . 4.030 3.695 3.355 4.146 0.116 7 0 "[ . 1 . 2]" 2
1109 1 54 SER HB3 1 55 ALA H . . 4.030 3.705 3.344 3.954 . 0 0 "[ . 1 . 2]" 2
1110 1 54 SER QB 1 55 ALA H . . 3.650 3.248 3.152 3.510 . 0 0 "[ . 1 . 2]" 2
1111 1 55 ALA H 1 55 ALA HA . . 3.000 2.905 2.675 2.941 . 0 0 "[ . 1 . 2]" 2
1112 1 55 ALA H 1 55 ALA MB . . 3.630 2.318 1.943 2.576 . 0 0 "[ . 1 . 2]" 2
1113 1 55 ALA H 1 56 SER H . . 4.430 4.438 4.222 4.586 0.156 12 0 "[ . 1 . 2]" 2
1114 1 55 ALA HA 1 56 SER H . . 2.600 2.228 2.188 2.269 . 0 0 "[ . 1 . 2]" 2
1115 1 55 ALA HA 1 57 GLN H . . 3.440 3.565 3.436 3.650 0.210 17 0 "[ . 1 . 2]" 2
1116 1 55 ALA MB 1 56 SER H . . 4.090 3.119 2.970 3.331 . 0 0 "[ . 1 . 2]" 2
1117 1 55 ALA MB 1 56 SER HA . . 6.570 4.360 4.256 4.469 . 0 0 "[ . 1 . 2]" 2
1118 1 55 ALA MB 1 57 GLN H . . 4.030 2.568 2.412 2.780 . 0 0 "[ . 1 . 2]" 2
1119 1 56 SER H 1 56 SER HB2 . . 3.410 2.644 2.063 3.388 . 0 0 "[ . 1 . 2]" 2
1120 1 56 SER H 1 56 SER HB3 . . 3.410 2.862 2.073 3.528 0.118 13 0 "[ . 1 . 2]" 2
1121 1 56 SER H 1 57 GLN H . . 2.600 2.451 2.283 2.600 0.000 5 0 "[ . 1 . 2]" 2
1122 1 56 SER H 1 57 GLN HB2 . . 4.860 4.482 4.343 4.762 . 0 0 "[ . 1 . 2]" 2
1123 1 56 SER H 1 57 GLN QG . . 6.580 5.277 4.819 6.048 . 0 0 "[ . 1 . 2]" 2
1124 1 56 SER HA 1 56 SER HB2 . . 2.940 2.679 2.258 3.032 0.092 13 0 "[ . 1 . 2]" 2
1125 1 56 SER HA 1 56 SER HB3 . . 2.940 2.784 2.260 3.007 0.067 5 0 "[ . 1 . 2]" 2
1126 1 56 SER HA 1 57 GLN H . . 3.340 3.399 3.269 3.496 0.156 12 0 "[ . 1 . 2]" 2
1127 1 56 SER HA 1 57 GLN QG . . 6.580 4.789 4.415 6.121 . 0 0 "[ . 1 . 2]" 2
1128 1 56 SER HA 1 81 THR MG . . 4.590 3.173 2.461 3.717 . 0 0 "[ . 1 . 2]" 2
1129 1 56 SER HB2 1 57 GLN H . . 5.700 4.010 3.630 4.590 . 0 0 "[ . 1 . 2]" 2
1130 1 56 SER HB2 1 57 GLN QG . . 6.580 4.810 3.141 5.951 . 0 0 "[ . 1 . 2]" 2
1131 1 56 SER HB3 1 57 GLN H . . 5.700 3.839 3.361 4.585 . 0 0 "[ . 1 . 2]" 2
1132 1 56 SER HB3 1 57 GLN QG . . 6.580 4.341 3.194 5.775 . 0 0 "[ . 1 . 2]" 2
1133 1 57 GLN H 1 57 GLN HB2 . . 3.530 2.888 2.793 3.395 . 0 0 "[ . 1 . 2]" 2
1134 1 57 GLN H 1 57 GLN QE . . 6.570 4.870 4.618 5.400 . 0 0 "[ . 1 . 2]" 2
1135 1 57 GLN H 1 58 LEU H . . 10.200 4.375 4.310 4.393 . 0 0 "[ . 1 . 2]" 2
1136 1 57 GLN H 1 81 THR MG . . 6.540 4.534 4.206 4.724 . 0 0 "[ . 1 . 2]" 2
1137 1 57 GLN HA 1 58 LEU H . . 2.600 2.470 2.335 2.499 . 0 0 "[ . 1 . 2]" 2
1138 1 57 GLN HA 1 79 PHE H . . 10.200 4.768 4.539 4.925 . 0 0 "[ . 1 . 2]" 2
1139 1 57 GLN HB2 1 79 PHE H . . 5.480 5.616 5.524 5.721 0.241 19 0 "[ . 1 . 2]" 2
1140 1 57 GLN HB2 1 80 SER HA . . 4.650 4.411 3.500 4.700 0.050 11 0 "[ . 1 . 2]" 2
1141 1 57 GLN HB2 1 81 THR H . . 5.700 5.820 4.935 6.010 0.310 10 0 "[ . 1 . 2]" 2
1142 1 57 GLN HB3 1 79 PHE H . . 5.480 4.078 3.831 5.589 0.109 13 0 "[ . 1 . 2]" 2
1143 1 57 GLN HB3 1 80 SER HA . . 5.140 4.110 3.815 4.713 . 0 0 "[ . 1 . 2]" 2
1144 1 57 GLN HB3 1 81 THR H . . 5.700 5.896 5.775 6.113 0.413 13 0 "[ . 1 . 2]" 2
1145 1 57 GLN QG 1 58 LEU H . . 5.550 2.996 1.890 3.368 . 0 0 "[ . 1 . 2]" 2
1146 1 57 GLN QG 1 78 SER HA . . 6.580 5.417 3.996 5.766 . 0 0 "[ . 1 . 2]" 2
1147 1 57 GLN QG 1 78 SER HB2 . . 6.580 5.485 3.840 5.891 . 0 0 "[ . 1 . 2]" 2
1148 1 57 GLN QG 1 78 SER HB3 . . 6.580 5.471 4.316 5.871 . 0 0 "[ . 1 . 2]" 2
1149 1 57 GLN QG 1 79 PHE H . . 6.580 3.935 2.705 4.383 . 0 0 "[ . 1 . 2]" 2
1150 1 57 GLN QG 1 80 SER HA . . 5.680 2.037 1.846 2.950 . 0 0 "[ . 1 . 2]" 2
1151 1 57 GLN QG 1 80 SER HB2 . . 6.580 3.678 3.326 4.999 . 0 0 "[ . 1 . 2]" 2
1152 1 57 GLN QG 1 80 SER HB3 . . 6.580 2.320 1.931 3.743 . 0 0 "[ . 1 . 2]" 2
1153 1 57 GLN QG 1 81 THR H . . 6.580 3.850 3.509 4.836 . 0 0 "[ . 1 . 2]" 2
1154 1 57 GLN HE21 1 58 LEU H . . 5.700 4.496 2.739 4.958 . 0 0 "[ . 1 . 2]" 2
1155 1 57 GLN HE22 1 58 LEU H . . 5.700 5.630 4.281 5.757 0.057 12 0 "[ . 1 . 2]" 2
1156 1 58 LEU N 1 79 PHE O . . 2.700 2.694 2.574 2.775 0.075 9 0 "[ . 1 . 2]" 2
1157 1 58 LEU H 1 58 LEU HB2 . . 3.380 3.612 3.503 3.694 0.314 18 0 "[ . 1 . 2]" 2
1158 1 58 LEU H 1 58 LEU HB3 . . 3.380 2.650 2.552 2.716 . 0 0 "[ . 1 . 2]" 2
1159 1 58 LEU H 1 58 LEU QB . . 3.160 2.586 2.493 2.647 . 0 0 "[ . 1 . 2]" 2
1160 1 58 LEU H 1 59 GLU H . . 10.200 4.321 4.236 4.393 . 0 0 "[ . 1 . 2]" 2
1161 1 58 LEU H 1 79 PHE HB2 . . 5.420 3.769 3.405 3.966 . 0 0 "[ . 1 . 2]" 2
1162 1 58 LEU H 1 79 PHE HB3 . . 5.420 5.064 4.758 5.229 . 0 0 "[ . 1 . 2]" 2
1163 1 58 LEU H 1 79 PHE QB . . 4.920 3.671 3.335 3.844 . 0 0 "[ . 1 . 2]" 2
1164 1 58 LEU H 1 79 PHE O . . 1.800 1.729 1.590 1.814 0.014 9 0 "[ . 1 . 2]" 2
1165 1 58 LEU HA 1 59 GLU H . . 2.600 2.247 2.194 2.287 . 0 0 "[ . 1 . 2]" 2
1166 1 58 LEU HA 1 59 GLU QB . . 5.710 4.060 3.919 4.361 . 0 0 "[ . 1 . 2]" 2
1167 1 58 LEU HB2 1 59 GLU H . . 10.200 3.809 3.616 4.037 . 0 0 "[ . 1 . 2]" 2
1168 1 58 LEU HB2 1 79 PHE H . . 5.700 5.568 5.412 5.697 . 0 0 "[ . 1 . 2]" 2
1169 1 58 LEU HB2 1 79 PHE HB2 . . 7.450 5.651 5.113 5.906 . 0 0 "[ . 1 . 2]" 2
1170 1 58 LEU HB2 1 79 PHE HB3 . . 7.450 7.289 6.719 7.498 0.048 7 0 "[ . 1 . 2]" 2
1171 1 58 LEU HB3 1 59 GLU H . . 10.200 4.377 4.316 4.481 . 0 0 "[ . 1 . 2]" 2
1172 1 58 LEU HB3 1 79 PHE H . . 5.700 4.432 4.177 4.654 . 0 0 "[ . 1 . 2]" 2
1173 1 58 LEU HB3 1 79 PHE HB2 . . 7.450 4.040 3.474 4.361 . 0 0 "[ . 1 . 2]" 2
1174 1 58 LEU HB3 1 79 PHE HB3 . . 7.450 5.611 5.003 5.864 . 0 0 "[ . 1 . 2]" 2
1175 1 58 LEU QB 1 79 PHE H . . 5.250 4.267 4.049 4.456 . 0 0 "[ . 1 . 2]" 2
1176 1 58 LEU QB 1 79 PHE QB . . 5.940 3.865 3.356 4.131 . 0 0 "[ . 1 . 2]" 2
1177 1 58 LEU HG 1 59 GLU H . . 4.090 3.158 2.559 4.428 0.338 11 0 "[ . 1 . 2]" 2
1178 1 58 LEU HG 1 60 ALA MB . . 6.730 3.690 2.939 4.746 . 0 0 "[ . 1 . 2]" 2
1179 1 58 LEU HG 1 79 PHE H . . 5.480 4.823 4.214 5.810 0.330 13 0 "[ . 1 . 2]" 2
1180 1 58 LEU MD1 1 59 GLU H . . 6.170 3.182 2.243 4.407 . 0 0 "[ . 1 . 2]" 2
1181 1 58 LEU MD1 1 60 ALA H . . 6.730 4.875 3.181 5.704 . 0 0 "[ . 1 . 2]" 2
1182 1 58 LEU MD1 1 79 PHE H . . 6.540 5.009 2.692 5.698 . 0 0 "[ . 1 . 2]" 2
1183 1 58 LEU MD1 1 79 PHE QD . . 8.850 4.324 2.174 5.333 . 0 0 "[ . 1 . 2]" 2
1184 1 58 LEU MD2 1 59 GLU H . . 6.170 3.647 1.775 4.625 . 0 0 "[ . 1 . 2]" 2
1185 1 58 LEU MD2 1 60 ALA H . . 6.730 4.528 3.035 5.622 . 0 0 "[ . 1 . 2]" 2
1186 1 58 LEU MD2 1 79 PHE H . . 6.540 4.250 3.085 5.066 . 0 0 "[ . 1 . 2]" 2
1187 1 58 LEU MD2 1 79 PHE QD . . 8.850 3.292 1.918 5.118 . 0 0 "[ . 1 . 2]" 2
1188 1 58 LEU QD 1 59 GLU H . . 5.410 2.687 1.761 3.478 . 0 0 "[ . 1 . 2]" 2
1189 1 58 LEU QD 1 59 GLU HA . . 7.620 3.617 2.684 4.275 . 0 0 "[ . 1 . 2]" 2
1190 1 58 LEU QD 1 60 ALA H . . 6.270 3.967 2.937 4.712 . 0 0 "[ . 1 . 2]" 2
1191 1 58 LEU QD 1 60 ALA HA . . 8.300 3.897 3.209 4.409 . 0 0 "[ . 1 . 2]" 2
1192 1 58 LEU QD 1 60 ALA MB . . 8.150 2.703 1.941 3.450 . 0 0 "[ . 1 . 2]" 2
1193 1 58 LEU QD 1 61 ALA H . . 8.300 5.447 4.929 5.812 . 0 0 "[ . 1 . 2]" 2
1194 1 58 LEU QD 1 79 PHE H . . 5.850 3.725 2.674 4.598 . 0 0 "[ . 1 . 2]" 2
1195 1 58 LEU QD 1 79 PHE QD . . 8.400 2.821 1.916 4.054 . 0 0 "[ . 1 . 2]" 2
1196 1 58 LEU O 1 79 PHE N . . 2.700 2.674 2.582 2.757 0.057 6 0 "[ . 1 . 2]" 2
1197 1 58 LEU O 1 79 PHE H . . 1.800 1.723 1.639 1.784 . 0 0 "[ . 1 . 2]" 2
1198 1 59 GLU H 1 60 ALA H . . 4.270 4.518 4.415 4.588 0.318 7 0 "[ . 1 . 2]" 2
1199 1 59 GLU HA 1 60 ALA H . . 2.600 2.276 2.215 2.352 . 0 0 "[ . 1 . 2]" 2
1200 1 59 GLU HA 1 60 ALA HA . . 4.990 4.431 4.404 4.455 . 0 0 "[ . 1 . 2]" 2
1201 1 59 GLU HA 1 60 ALA MB . . 5.640 3.831 3.745 3.935 . 0 0 "[ . 1 . 2]" 2
1202 1 59 GLU HA 1 77 TYR H . . 10.200 4.890 4.634 5.131 . 0 0 "[ . 1 . 2]" 2
1203 1 59 GLU HA 1 79 PHE QD . . 7.820 3.619 2.567 4.763 . 0 0 "[ . 1 . 2]" 2
1204 1 59 GLU QB 1 76 ASN HB2 . . 6.580 3.796 2.540 5.020 . 0 0 "[ . 1 . 2]" 2
1205 1 59 GLU QB 1 76 ASN HB3 . . 6.580 3.836 2.675 5.607 . 0 0 "[ . 1 . 2]" 2
1206 1 59 GLU QB 1 76 ASN QB . . 6.440 3.149 2.514 4.325 . 0 0 "[ . 1 . 2]" 2
1207 1 59 GLU QB 1 76 ASN HD21 . . 6.580 3.803 1.925 5.845 . 0 0 "[ . 1 . 2]" 2
1208 1 59 GLU QB 1 76 ASN HD22 . . 6.580 4.236 2.350 5.785 . 0 0 "[ . 1 . 2]" 2
1209 1 59 GLU QB 1 77 TYR H . . 6.330 4.734 4.001 5.431 . 0 0 "[ . 1 . 2]" 2
1210 1 59 GLU QB 1 78 SER HA . . 6.580 3.699 2.372 4.030 . 0 0 "[ . 1 . 2]" 2
1211 1 59 GLU QG 1 60 ALA H . . 6.110 3.227 2.278 4.007 . 0 0 "[ . 1 . 2]" 2
1212 1 59 GLU QG 1 76 ASN HA . . 6.580 4.757 3.784 5.772 . 0 0 "[ . 1 . 2]" 2
1213 1 59 GLU QG 1 76 ASN HB2 . . 6.240 3.221 2.472 4.107 . 0 0 "[ . 1 . 2]" 2
1214 1 59 GLU QG 1 76 ASN HB3 . . 6.240 3.236 1.893 5.121 . 0 0 "[ . 1 . 2]" 2
1215 1 59 GLU QG 1 76 ASN QB . . 6.040 2.566 1.878 3.949 . 0 0 "[ . 1 . 2]" 2
1216 1 59 GLU QG 1 76 ASN HD21 . . 6.580 3.640 1.925 5.029 . 0 0 "[ . 1 . 2]" 2
1217 1 59 GLU QG 1 76 ASN HD22 . . 6.580 4.125 2.361 5.691 . 0 0 "[ . 1 . 2]" 2
1218 1 59 GLU QG 1 77 TYR H . . 6.580 3.952 3.036 5.210 . 0 0 "[ . 1 . 2]" 2
1219 1 60 ALA N 1 77 TYR O . . 2.700 2.767 2.647 2.937 0.237 18 0 "[ . 1 . 2]" 2
1220 1 60 ALA H 1 61 ALA H . . 4.240 4.415 4.385 4.478 0.238 20 0 "[ . 1 . 2]" 2
1221 1 60 ALA H 1 76 ASN HA . . 10.200 5.312 4.912 5.864 . 0 0 "[ . 1 . 2]" 2
1222 1 60 ALA H 1 76 ASN QB . . 5.650 3.866 3.280 4.336 . 0 0 "[ . 1 . 2]" 2
1223 1 60 ALA H 1 77 TYR H . . 3.130 3.306 3.136 3.523 0.393 19 0 "[ . 1 . 2]" 2
1224 1 60 ALA H 1 77 TYR QB . . 6.020 2.981 2.599 3.463 . 0 0 "[ . 1 . 2]" 2
1225 1 60 ALA H 1 77 TYR O . . 1.800 1.927 1.777 2.078 0.278 20 0 "[ . 1 . 2]" 2
1226 1 60 ALA H 1 79 PHE H . . 10.200 4.582 4.397 4.759 . 0 0 "[ . 1 . 2]" 2
1227 1 60 ALA H 1 79 PHE QD . . 7.820 3.562 2.907 4.385 . 0 0 "[ . 1 . 2]" 2
1228 1 60 ALA HA 1 61 ALA H . . 2.600 2.433 2.387 2.500 . 0 0 "[ . 1 . 2]" 2
1229 1 60 ALA HA 1 61 ALA MB . . 6.320 3.775 3.701 3.834 . 0 0 "[ . 1 . 2]" 2
1230 1 60 ALA MB 1 61 ALA HA . . 6.170 3.918 3.828 4.020 . 0 0 "[ . 1 . 2]" 2
1231 1 60 ALA O 1 77 TYR N . . 2.700 2.884 2.746 2.975 0.275 19 0 "[ . 1 . 2]" 2
1232 1 60 ALA O 1 77 TYR H . . 1.800 2.001 1.834 2.106 0.306 19 0 "[ . 1 . 2]" 2
1233 1 61 ALA H 1 62 PHE H . . 4.310 4.393 4.341 4.441 0.131 8 0 "[ . 1 . 2]" 2
1234 1 61 ALA H 1 79 PHE QD . . 7.820 6.520 6.268 6.874 . 0 0 "[ . 1 . 2]" 2
1235 1 61 ALA HA 1 62 PHE H . . 2.970 2.430 2.307 2.534 . 0 0 "[ . 1 . 2]" 2
1236 1 61 ALA HA 1 71 SER HA . . 3.590 3.394 3.038 3.697 0.107 15 0 "[ . 1 . 2]" 2
1237 1 61 ALA HA 1 77 TYR QD . . 7.440 2.462 2.089 3.290 . 0 0 "[ . 1 . 2]" 2
1238 1 61 ALA HA 1 77 TYR QE . . 7.830 4.018 3.582 4.907 . 0 0 "[ . 1 . 2]" 2
1239 1 61 ALA MB 1 62 PHE H . . 4.250 2.606 2.339 2.892 . 0 0 "[ . 1 . 2]" 2
1240 1 61 ALA MB 1 69 TRP HE3 . . 4.900 3.265 2.946 3.605 . 0 0 "[ . 1 . 2]" 2
1241 1 61 ALA MB 1 69 TRP HZ3 . . 4.960 3.819 3.201 4.103 . 0 0 "[ . 1 . 2]" 2
1242 1 61 ALA MB 1 71 SER HA . . 4.430 3.118 2.529 3.605 . 0 0 "[ . 1 . 2]" 2
1243 1 61 ALA MB 1 71 SER HB2 . . 4.930 3.398 3.078 3.989 . 0 0 "[ . 1 . 2]" 2
1244 1 61 ALA MB 1 71 SER HB3 . . 4.930 2.424 1.725 3.781 . 0 0 "[ . 1 . 2]" 2
1245 1 61 ALA MB 1 76 ASN HA . . 5.800 2.798 2.125 3.487 . 0 0 "[ . 1 . 2]" 2
1246 1 62 PHE N 1 70 ASP O . . 2.700 2.990 2.936 3.030 0.330 19 0 "[ . 1 . 2]" 2
1247 1 62 PHE H 1 62 PHE HB2 . . 3.620 3.054 2.882 3.147 . 0 0 "[ . 1 . 2]" 2
1248 1 62 PHE H 1 62 PHE HB3 . . 3.620 2.199 2.137 2.308 . 0 0 "[ . 1 . 2]" 2
1249 1 62 PHE H 1 62 PHE QB . . 3.400 2.150 2.104 2.220 . 0 0 "[ . 1 . 2]" 2
1250 1 62 PHE H 1 63 ASN H . . 10.200 4.529 4.505 4.542 . 0 0 "[ . 1 . 2]" 2
1251 1 62 PHE H 1 69 TRP HE3 . . 5.700 5.185 4.444 5.604 . 0 0 "[ . 1 . 2]" 2
1252 1 62 PHE H 1 70 ASP H . . 3.840 3.200 2.978 3.863 0.023 13 0 "[ . 1 . 2]" 2
1253 1 62 PHE H 1 70 ASP QB . . 5.740 3.144 2.729 3.604 . 0 0 "[ . 1 . 2]" 2
1254 1 62 PHE H 1 70 ASP O . . 1.800 2.022 1.975 2.069 0.269 19 0 "[ . 1 . 2]" 2
1255 1 62 PHE H 1 71 SER HA . . 3.930 3.610 3.223 3.982 0.052 9 0 "[ . 1 . 2]" 2
1256 1 62 PHE H 1 77 TYR QD . . 7.840 3.647 3.441 4.303 . 0 0 "[ . 1 . 2]" 2
1257 1 62 PHE HA 1 63 ASN H . . 2.850 2.287 2.249 2.326 . 0 0 "[ . 1 . 2]" 2
1258 1 62 PHE HA 1 63 ASN QD . . 6.570 3.853 2.579 5.013 . 0 0 "[ . 1 . 2]" 2
1259 1 62 PHE HB2 1 63 ASN H . . 4.030 3.977 3.860 4.093 0.063 4 0 "[ . 1 . 2]" 2
1260 1 62 PHE HB3 1 63 ASN H . . 4.030 4.246 4.093 4.342 0.312 5 0 "[ . 1 . 2]" 2
1261 1 62 PHE QD 1 63 ASN H . . 7.600 1.942 1.880 2.052 . 0 0 "[ . 1 . 2]" 2
1262 1 62 PHE QD 1 63 ASN HA . . 7.820 3.913 3.762 4.169 . 0 0 "[ . 1 . 2]" 2
1263 1 62 PHE QD 1 70 ASP H . . 7.820 4.432 3.699 4.793 . 0 0 "[ . 1 . 2]" 2
1264 1 62 PHE QD 1 70 ASP HA . . 7.820 4.579 4.386 4.773 . 0 0 "[ . 1 . 2]" 2
1265 1 62 PHE QD 1 70 ASP HB2 . . 7.820 2.052 1.954 2.288 . 0 0 "[ . 1 . 2]" 2
1266 1 62 PHE QD 1 70 ASP HB3 . . 7.820 2.343 1.979 3.110 . 0 0 "[ . 1 . 2]" 2
1267 1 62 PHE QE 1 63 ASN H . . 7.480 3.489 3.323 3.609 . 0 0 "[ . 1 . 2]" 2
1268 1 62 PHE QE 1 63 ASN HA . . 6.950 4.302 4.068 4.814 . 0 0 "[ . 1 . 2]" 2
1269 1 62 PHE QE 1 64 ASP H . . 7.820 4.346 3.906 5.171 . 0 0 "[ . 1 . 2]" 2
1270 1 62 PHE O 1 70 ASP N . . 2.700 2.535 2.469 2.581 . 0 0 "[ . 1 . 2]" 2
1271 1 62 PHE O 1 70 ASP H . . 1.800 1.883 1.746 2.043 0.243 18 0 "[ . 1 . 2]" 2
1272 1 63 ASN H 1 63 ASN HD21 . . 5.050 3.543 2.168 4.816 . 0 0 "[ . 1 . 2]" 2
1273 1 63 ASN H 1 63 ASN HD22 . . 5.050 4.060 3.244 4.873 . 0 0 "[ . 1 . 2]" 2
1274 1 63 ASN H 1 63 ASN QD . . 4.790 3.279 2.137 4.315 . 0 0 "[ . 1 . 2]" 2
1275 1 63 ASN H 1 64 ASP H . . 4.550 4.209 4.147 4.343 . 0 0 "[ . 1 . 2]" 2
1276 1 63 ASN HA 1 64 ASP H . . 3.160 2.337 2.296 2.470 . 0 0 "[ . 1 . 2]" 2
1277 1 63 ASN HA 1 69 TRP HA . . 3.280 2.153 1.988 2.679 . 0 0 "[ . 1 . 2]" 2
1278 1 63 ASN HA 1 70 ASP H . . 3.720 3.697 2.812 3.810 0.090 14 0 "[ . 1 . 2]" 2
1279 1 63 ASN QB 1 65 GLY H . . 4.930 2.455 2.074 3.060 . 0 0 "[ . 1 . 2]" 2
1280 1 63 ASN QB 1 69 TRP HA . . 5.250 2.484 2.094 3.087 . 0 0 "[ . 1 . 2]" 2
1281 1 63 ASN QB 1 69 TRP QB . . 7.460 3.381 2.851 4.656 . 0 0 "[ . 1 . 2]" 2
1282 1 63 ASN QB 1 69 TRP HE3 . . 6.580 3.448 2.382 4.832 . 0 0 "[ . 1 . 2]" 2
1283 1 63 ASN QB 1 69 TRP HE1 . . 6.580 4.006 2.977 5.608 . 0 0 "[ . 1 . 2]" 2
1284 1 63 ASN QB 1 70 ASP H . . 6.150 3.959 3.491 4.797 . 0 0 "[ . 1 . 2]" 2
1285 1 63 ASN QD 1 64 ASP H . . 6.570 5.028 4.630 5.503 . 0 0 "[ . 1 . 2]" 2
1286 1 63 ASN QD 1 69 TRP HE3 . . 6.570 3.763 2.054 5.118 . 0 0 "[ . 1 . 2]" 2
1287 1 63 ASN QD 1 69 TRP HZ3 . . 6.010 3.671 2.314 5.319 . 0 0 "[ . 1 . 2]" 2
1288 1 63 ASN QD 1 69 TRP HZ2 . . 6.570 4.840 3.397 5.888 . 0 0 "[ . 1 . 2]" 2
1289 1 63 ASN QD 1 69 TRP HH2 . . 6.140 4.284 2.988 5.265 . 0 0 "[ . 1 . 2]" 2
1290 1 64 ASP N 1 68 ASN O . . 2.700 2.974 2.925 3.039 0.339 20 0 "[ . 1 . 2]" 2
1291 1 64 ASP H 1 65 GLY H . . 3.250 2.632 2.360 3.028 . 0 0 "[ . 1 . 2]" 2
1292 1 64 ASP H 1 65 GLY QA . . 5.930 4.377 4.141 4.492 . 0 0 "[ . 1 . 2]" 2
1293 1 64 ASP H 1 66 ASN H . . 3.810 3.701 3.295 3.863 0.053 19 0 "[ . 1 . 2]" 2
1294 1 64 ASP H 1 68 ASN H . . 3.620 3.686 3.494 3.895 0.275 4 0 "[ . 1 . 2]" 2
1295 1 64 ASP H 1 68 ASN HB2 . . 4.240 3.017 1.901 3.414 . 0 0 "[ . 1 . 2]" 2
1296 1 64 ASP H 1 68 ASN HB3 . . 4.240 4.061 3.595 4.299 0.059 10 0 "[ . 1 . 2]" 2
1297 1 64 ASP H 1 68 ASN QB . . 3.960 2.923 1.894 3.279 . 0 0 "[ . 1 . 2]" 2
1298 1 64 ASP H 1 68 ASN O . . 1.800 2.077 2.002 2.176 0.376 20 0 "[ . 1 . 2]" 2
1299 1 64 ASP HA 1 65 GLY H . . 3.590 3.268 2.650 3.516 . 0 0 "[ . 1 . 2]" 2
1300 1 65 GLY H 1 66 ASN H . . 3.030 2.809 2.496 3.343 0.313 18 0 "[ . 1 . 2]" 2
1301 1 65 GLY H 1 66 ASN HD21 . . 5.700 5.422 5.187 5.761 0.061 13 0 "[ . 1 . 2]" 2
1302 1 65 GLY HA2 1 66 ASN H . . 3.720 3.452 3.020 3.632 . 0 0 "[ . 1 . 2]" 2
1303 1 65 GLY HA3 1 66 ASN H . . 3.720 3.146 2.511 3.576 . 0 0 "[ . 1 . 2]" 2
1304 1 66 ASN H 1 66 ASN HA . . 2.760 2.829 2.748 2.916 0.156 10 0 "[ . 1 . 2]" 2
1305 1 66 ASN H 1 66 ASN HB2 . . 3.220 2.469 2.048 3.365 0.145 4 0 "[ . 1 . 2]" 2
1306 1 66 ASN H 1 66 ASN HB3 . . 3.070 3.060 2.180 3.364 0.294 20 0 "[ . 1 . 2]" 2
1307 1 66 ASN H 1 66 ASN HD21 . . 5.700 3.393 2.820 4.433 . 0 0 "[ . 1 . 2]" 2
1308 1 66 ASN H 1 66 ASN HD22 . . 5.700 4.959 4.468 5.851 0.151 4 0 "[ . 1 . 2]" 2
1309 1 66 ASN H 1 67 ASN H . . 2.970 2.751 1.972 3.044 0.074 17 0 "[ . 1 . 2]" 2
1310 1 66 ASN H 1 68 ASN H . . 3.440 3.187 2.035 3.548 0.108 13 0 "[ . 1 . 2]" 2
1311 1 66 ASN HA 1 66 ASN HB2 . . 2.940 2.772 2.366 2.944 0.004 17 0 "[ . 1 . 2]" 2
1312 1 66 ASN HA 1 66 ASN HB3 . . 3.130 2.927 2.845 3.043 . 0 0 "[ . 1 . 2]" 2
1313 1 66 ASN HB2 1 68 ASN HD21 . . 4.960 3.873 3.442 5.027 0.067 20 0 "[ . 1 . 2]" 2
1314 1 66 ASN HB2 1 68 ASN HD22 . . 4.960 4.955 4.838 5.048 0.088 4 0 "[ . 1 . 2]" 2
1315 1 66 ASN HB3 1 67 ASN H . . 3.620 2.163 1.899 2.966 . 0 0 "[ . 1 . 2]" 2
1316 1 66 ASN HB3 1 68 ASN HD21 . . 5.050 3.312 2.457 5.038 . 0 0 "[ . 1 . 2]" 2
1317 1 66 ASN HB3 1 68 ASN HD22 . . 5.050 4.234 3.570 4.908 . 0 0 "[ . 1 . 2]" 2
1318 1 66 ASN HB3 1 68 ASN QD . . 4.830 3.160 2.416 4.428 . 0 0 "[ . 1 . 2]" 2
1319 1 66 ASN HD21 1 67 ASN H . . 5.700 4.360 2.747 4.927 . 0 0 "[ . 1 . 2]" 2
1320 1 66 ASN HD22 1 67 ASN H . . 5.700 5.484 4.335 6.142 0.442 10 0 "[ . 1 . 2]" 2
1321 1 67 ASN H 1 67 ASN HA . . 2.760 2.784 2.587 2.869 0.109 13 0 "[ . 1 . 2]" 2
1322 1 67 ASN H 1 67 ASN HB2 . . 3.840 3.053 2.030 3.952 0.112 13 0 "[ . 1 . 2]" 2
1323 1 67 ASN H 1 67 ASN HD21 . . 5.700 4.243 3.467 4.637 . 0 0 "[ . 1 . 2]" 2
1324 1 67 ASN H 1 67 ASN HD22 . . 5.700 5.552 4.034 5.783 0.083 14 0 "[ . 1 . 2]" 2
1325 1 67 ASN H 1 68 ASN H . . 3.160 1.874 1.552 2.615 . 0 0 "[ . 1 . 2]" 2
1326 1 67 ASN H 1 69 TRP HE1 . . 5.700 4.587 3.477 5.193 . 0 0 "[ . 1 . 2]" 2
1327 1 67 ASN HA 1 68 ASN H . . 3.410 3.306 3.119 3.559 0.149 10 0 "[ . 1 . 2]" 2
1328 1 67 ASN HA 1 69 TRP HD1 . . 5.270 3.420 2.996 3.748 . 0 0 "[ . 1 . 2]" 2
1329 1 67 ASN HA 1 69 TRP HE1 . . 3.810 2.927 2.692 3.324 . 0 0 "[ . 1 . 2]" 2
1330 1 67 ASN HB2 1 68 ASN H . . 4.240 4.056 3.317 4.319 0.079 3 0 "[ . 1 . 2]" 2
1331 1 67 ASN HB2 1 69 TRP HE1 . . 5.670 5.605 5.056 5.727 0.057 19 0 "[ . 1 . 2]" 2
1332 1 67 ASN HB3 1 68 ASN H . . 3.810 3.732 3.101 4.011 0.201 1 0 "[ . 1 . 2]" 2
1333 1 67 ASN HB3 1 69 TRP HE1 . . 5.700 5.702 5.448 5.786 0.086 16 0 "[ . 1 . 2]" 2
1334 1 68 ASN H 1 68 ASN HB2 . . 3.380 2.523 2.410 2.931 . 0 0 "[ . 1 . 2]" 2
1335 1 68 ASN H 1 68 ASN HB3 . . 3.380 3.610 3.555 3.676 0.296 5 0 "[ . 1 . 2]" 2
1336 1 68 ASN H 1 68 ASN QB . . 3.050 2.472 2.373 2.801 . 0 0 "[ . 1 . 2]" 2
1337 1 68 ASN H 1 68 ASN HD21 . . 5.420 2.415 1.873 2.897 . 0 0 "[ . 1 . 2]" 2
1338 1 68 ASN H 1 68 ASN HD22 . . 5.420 3.746 2.830 4.351 . 0 0 "[ . 1 . 2]" 2
1339 1 68 ASN H 1 68 ASN QD . . 5.070 2.381 1.862 2.856 . 0 0 "[ . 1 . 2]" 2
1340 1 68 ASN H 1 69 TRP H . . 4.210 4.309 4.175 4.436 0.226 13 0 "[ . 1 . 2]" 2
1341 1 68 ASN H 1 69 TRP HE1 . . 5.700 4.621 4.224 5.226 . 0 0 "[ . 1 . 2]" 2
1342 1 68 ASN HA 1 69 TRP H . . 2.660 2.261 2.252 2.306 . 0 0 "[ . 1 . 2]" 2
1343 1 68 ASN HA 1 69 TRP QB . . 6.580 4.457 4.355 4.548 . 0 0 "[ . 1 . 2]" 2
1344 1 68 ASN HA 1 69 TRP HD1 . . 5.330 3.378 2.932 4.136 . 0 0 "[ . 1 . 2]" 2
1345 1 68 ASN HB3 1 69 TRP H . . 4.000 3.674 3.487 4.088 0.088 20 0 "[ . 1 . 2]" 2
1346 1 68 ASN QB 1 69 TRP H . . 3.770 3.489 3.361 3.714 . 0 0 "[ . 1 . 2]" 2
1347 1 68 ASN QD 1 69 TRP H . . 6.570 5.314 4.873 5.452 . 0 0 "[ . 1 . 2]" 2
1348 1 69 TRP H 1 69 TRP HD1 . . 4.430 2.748 2.488 3.351 . 0 0 "[ . 1 . 2]" 2
1349 1 69 TRP H 1 69 TRP HE3 . . 5.700 5.734 5.448 5.799 0.099 16 0 "[ . 1 . 2]" 2
1350 1 69 TRP H 1 70 ASP H . . 4.550 4.443 3.934 4.538 . 0 0 "[ . 1 . 2]" 2
1351 1 69 TRP HA 1 69 TRP HE3 . . 5.420 3.995 3.135 4.504 . 0 0 "[ . 1 . 2]" 2
1352 1 69 TRP HA 1 70 ASP H . . 2.910 2.558 2.264 2.680 . 0 0 "[ . 1 . 2]" 2
1353 1 69 TRP QB 1 71 SER QB . . 7.460 4.453 3.741 4.804 . 0 0 "[ . 1 . 2]" 2
1354 1 69 TRP HE3 1 70 ASP H . . 4.830 3.839 3.306 4.836 0.006 13 0 "[ . 1 . 2]" 2
1355 1 69 TRP HE3 1 71 SER QB . . 6.550 4.709 4.309 5.100 . 0 0 "[ . 1 . 2]" 2
1356 1 70 ASP H 1 70 ASP QB . . 3.870 2.711 2.065 2.844 . 0 0 "[ . 1 . 2]" 2
1357 1 70 ASP H 1 71 SER H . . 4.650 3.650 3.090 4.442 . 0 0 "[ . 1 . 2]" 2
1358 1 70 ASP HA 1 71 SER H . . 2.970 2.307 2.253 2.458 . 0 0 "[ . 1 . 2]" 2
1359 1 70 ASP HB2 1 71 SER H . . 5.020 4.650 4.508 4.711 . 0 0 "[ . 1 . 2]" 2
1360 1 70 ASP HB3 1 71 SER H . . 5.020 4.046 3.743 4.254 . 0 0 "[ . 1 . 2]" 2
1361 1 70 ASP QB 1 71 SER H . . 4.680 3.808 3.570 3.934 . 0 0 "[ . 1 . 2]" 2
1362 1 71 SER H 1 71 SER HB2 . . 4.000 3.388 2.441 3.843 . 0 0 "[ . 1 . 2]" 2
1363 1 71 SER H 1 71 SER HB3 . . 4.000 3.555 2.873 3.768 . 0 0 "[ . 1 . 2]" 2
1364 1 71 SER H 1 72 ASN H . . 10.200 4.305 4.180 4.427 . 0 0 "[ . 1 . 2]" 2
1365 1 71 SER H 1 73 ASN H . . 4.000 3.529 3.266 3.721 . 0 0 "[ . 1 . 2]" 2
1366 1 71 SER H 1 74 THR H . . 4.830 4.511 3.986 5.053 0.223 9 0 "[ . 1 . 2]" 2
1367 1 71 SER HA 1 71 SER HB2 . . 3.100 2.767 2.355 3.031 . 0 0 "[ . 1 . 2]" 2
1368 1 71 SER HA 1 71 SER HB3 . . 3.100 2.385 2.255 2.839 . 0 0 "[ . 1 . 2]" 2
1369 1 71 SER HA 1 72 ASN HB2 . . 5.080 4.596 4.358 4.971 . 0 0 "[ . 1 . 2]" 2
1370 1 71 SER HA 1 72 ASN HB3 . . 5.080 5.133 4.977 5.283 0.203 16 0 "[ . 1 . 2]" 2
1371 1 71 SER HA 1 72 ASN QB . . 4.820 4.284 4.124 4.525 . 0 0 "[ . 1 . 2]" 2
1372 1 71 SER HA 1 76 ASN H . . 4.310 4.422 4.294 4.536 0.226 3 0 "[ . 1 . 2]" 2
1373 1 71 SER HA 1 76 ASN HA . . 3.810 3.003 2.470 3.492 . 0 0 "[ . 1 . 2]" 2
1374 1 71 SER HA 1 77 TYR QD . . 7.840 3.120 2.479 3.607 . 0 0 "[ . 1 . 2]" 2
1375 1 71 SER HA 1 77 TYR QE . . 7.550 2.880 2.343 3.581 . 0 0 "[ . 1 . 2]" 2
1376 1 71 SER HB2 1 76 ASN H . . 5.700 2.989 2.420 4.549 . 0 0 "[ . 1 . 2]" 2
1377 1 71 SER HB3 1 76 ASN H . . 5.700 3.871 2.425 4.727 . 0 0 "[ . 1 . 2]" 2
1378 1 71 SER QB 1 74 THR H . . 4.910 3.780 3.042 4.168 . 0 0 "[ . 1 . 2]" 2
1379 1 71 SER QB 1 76 ASN H . . 5.280 2.697 2.394 2.978 . 0 0 "[ . 1 . 2]" 2
1380 1 71 SER QB 1 76 ASN HA . . 6.020 1.838 1.687 2.205 . 0 0 "[ . 1 . 2]" 2
1381 1 72 ASN H 1 72 ASN HB2 . . 3.960 2.590 2.320 2.825 . 0 0 "[ . 1 . 2]" 2
1382 1 72 ASN H 1 72 ASN HB3 . . 3.960 3.200 2.502 3.700 . 0 0 "[ . 1 . 2]" 2
1383 1 72 ASN H 1 72 ASN QB . . 3.800 2.472 2.203 2.741 . 0 0 "[ . 1 . 2]" 2
1384 1 72 ASN H 1 72 ASN HD21 . . 5.700 4.690 3.711 4.907 . 0 0 "[ . 1 . 2]" 2
1385 1 72 ASN H 1 72 ASN HD22 . . 5.700 5.728 5.188 5.857 0.157 10 0 "[ . 1 . 2]" 2
1386 1 72 ASN H 1 73 ASN H . . 3.380 3.107 2.901 3.676 0.296 14 0 "[ . 1 . 2]" 2
1387 1 72 ASN H 1 74 THR H . . 4.550 4.308 3.545 4.717 0.167 1 0 "[ . 1 . 2]" 2
1388 1 72 ASN H 1 75 LYS H . . 4.990 3.813 2.715 4.361 . 0 0 "[ . 1 . 2]" 2
1389 1 72 ASN H 1 76 ASN H . . 4.680 3.055 1.948 3.822 . 0 0 "[ . 1 . 2]" 2
1390 1 72 ASN H 1 77 TYR QE . . 7.270 3.428 2.683 4.773 . 0 0 "[ . 1 . 2]" 2
1391 1 72 ASN HA 1 77 TYR QE . . 7.830 2.550 2.055 3.384 . 0 0 "[ . 1 . 2]" 2
1392 1 72 ASN HB2 1 72 ASN HD22 . . 4.180 3.865 3.450 4.158 . 0 0 "[ . 1 . 2]" 2
1393 1 72 ASN HB2 1 75 LYS H . . 4.310 4.110 3.683 4.512 0.202 15 0 "[ . 1 . 2]" 2
1394 1 72 ASN HB2 1 75 LYS HB2 . . 6.740 3.433 2.964 4.054 . 0 0 "[ . 1 . 2]" 2
1395 1 72 ASN HB2 1 75 LYS HB3 . . 6.740 4.939 4.516 5.741 . 0 0 "[ . 1 . 2]" 2
1396 1 72 ASN HB2 1 77 TYR QE . . 7.830 4.410 3.954 4.975 . 0 0 "[ . 1 . 2]" 2
1397 1 72 ASN HB3 1 72 ASN HD22 . . 4.180 3.632 3.445 4.123 . 0 0 "[ . 1 . 2]" 2
1398 1 72 ASN HB3 1 75 LYS H . . 4.310 3.045 2.601 3.332 . 0 0 "[ . 1 . 2]" 2
1399 1 72 ASN HB3 1 75 LYS HB2 . . 6.740 2.333 1.966 2.938 . 0 0 "[ . 1 . 2]" 2
1400 1 72 ASN HB3 1 75 LYS HB3 . . 6.740 4.032 3.637 4.688 . 0 0 "[ . 1 . 2]" 2
1401 1 72 ASN HB3 1 77 TYR QE . . 7.830 5.252 4.842 5.837 . 0 0 "[ . 1 . 2]" 2
1402 1 72 ASN QB 1 75 LYS H . . 3.860 2.968 2.551 3.245 . 0 0 "[ . 1 . 2]" 2
1403 1 72 ASN QB 1 75 LYS HA . . 5.530 4.575 4.141 5.046 . 0 0 "[ . 1 . 2]" 2
1404 1 72 ASN QB 1 75 LYS QB . . 5.660 2.272 1.940 2.802 . 0 0 "[ . 1 . 2]" 2
1405 1 72 ASN QB 1 76 ASN HA . . 5.370 3.570 3.299 4.054 . 0 0 "[ . 1 . 2]" 2
1406 1 72 ASN HD21 1 75 LYS H . . 5.700 5.029 4.507 5.836 0.136 20 0 "[ . 1 . 2]" 2
1407 1 72 ASN HD21 1 75 LYS QB . . 5.890 3.601 2.961 4.649 . 0 0 "[ . 1 . 2]" 2
1408 1 72 ASN HD21 1 75 LYS QG . . 6.580 4.232 2.383 5.356 . 0 0 "[ . 1 . 2]" 2
1409 1 72 ASN HD21 1 75 LYS QD . . 6.580 4.144 2.202 5.527 . 0 0 "[ . 1 . 2]" 2
1410 1 72 ASN HD21 1 76 ASN H . . 5.360 4.030 3.311 4.524 . 0 0 "[ . 1 . 2]" 2
1411 1 72 ASN HD22 1 75 LYS QB . . 6.300 4.778 4.458 5.098 . 0 0 "[ . 1 . 2]" 2
1412 1 72 ASN HD22 1 75 LYS QG . . 6.580 5.329 3.993 5.772 . 0 0 "[ . 1 . 2]" 2
1413 1 72 ASN HD22 1 75 LYS QD . . 6.330 4.827 3.303 5.315 . 0 0 "[ . 1 . 2]" 2
1414 1 72 ASN HD22 1 76 ASN H . . 5.700 5.354 4.764 5.773 0.073 8 0 "[ . 1 . 2]" 2
1415 1 73 ASN H 1 73 ASN HB2 . . 3.750 3.332 3.277 3.376 . 0 0 "[ . 1 . 2]" 2
1416 1 73 ASN H 1 73 ASN HB3 . . 3.750 3.850 3.835 3.880 0.130 15 0 "[ . 1 . 2]" 2
1417 1 73 ASN H 1 73 ASN QB . . 3.540 3.143 3.102 3.172 . 0 0 "[ . 1 . 2]" 2
1418 1 73 ASN H 1 74 THR H . . 3.310 2.778 1.785 3.330 0.020 6 0 "[ . 1 . 2]" 2
1419 1 73 ASN H 1 75 LYS H . . 4.580 3.658 2.551 4.224 . 0 0 "[ . 1 . 2]" 2
1420 1 73 ASN H 1 76 ASN H . . 5.200 4.683 3.607 5.181 . 0 0 "[ . 1 . 2]" 2
1421 1 73 ASN HB2 1 74 THR H . . 3.810 3.547 3.360 3.709 . 0 0 "[ . 1 . 2]" 2
1422 1 73 ASN HB3 1 74 THR H . . 3.810 2.836 2.451 3.488 . 0 0 "[ . 1 . 2]" 2
1423 1 73 ASN QB 1 74 THR H . . 3.620 2.676 2.411 3.047 . 0 0 "[ . 1 . 2]" 2
1424 1 73 ASN QB 1 74 THR MG . . 7.550 2.390 2.299 2.555 . 0 0 "[ . 1 . 2]" 2
1425 1 73 ASN QB 1 75 LYS H . . 5.000 4.354 4.202 4.500 . 0 0 "[ . 1 . 2]" 2
1426 1 74 THR H 1 74 THR HA . . 2.630 2.750 2.674 2.773 0.143 1 0 "[ . 1 . 2]" 2
1427 1 74 THR H 1 74 THR HB . . 3.560 3.662 3.579 3.755 0.195 13 0 "[ . 1 . 2]" 2
1428 1 74 THR H 1 74 THR MG . . 4.430 2.720 2.560 2.903 . 0 0 "[ . 1 . 2]" 2
1429 1 74 THR H 1 75 LYS H . . 3.160 1.907 1.687 2.113 . 0 0 "[ . 1 . 2]" 2
1430 1 74 THR H 1 75 LYS QB . . 6.200 3.630 3.472 4.067 . 0 0 "[ . 1 . 2]" 2
1431 1 74 THR H 1 75 LYS QG . . 6.580 2.885 2.241 3.337 . 0 0 "[ . 1 . 2]" 2
1432 1 74 THR H 1 76 ASN H . . 3.840 3.815 3.556 4.053 0.213 19 0 "[ . 1 . 2]" 2
1433 1 74 THR HA 1 74 THR HB . . 2.790 2.442 2.408 2.487 . 0 0 "[ . 1 . 2]" 2
1434 1 74 THR HA 1 75 LYS H . . 3.590 2.850 2.745 2.982 . 0 0 "[ . 1 . 2]" 2
1435 1 74 THR MG 1 75 LYS H . . 6.450 3.799 3.622 3.938 . 0 0 "[ . 1 . 2]" 2
1436 1 74 THR MG 1 76 ASN H . . 6.730 5.438 5.157 5.646 . 0 0 "[ . 1 . 2]" 2
1437 1 75 LYS H 1 75 LYS HA . . 3.100 2.903 2.891 2.925 . 0 0 "[ . 1 . 2]" 2
1438 1 75 LYS H 1 75 LYS HG2 . . 3.840 3.723 3.066 3.870 0.030 17 0 "[ . 1 . 2]" 2
1439 1 75 LYS H 1 75 LYS HG3 . . 3.840 3.164 2.434 3.471 . 0 0 "[ . 1 . 2]" 2
1440 1 75 LYS H 1 75 LYS QG . . 3.530 2.994 2.345 3.210 . 0 0 "[ . 1 . 2]" 2
1441 1 75 LYS H 1 76 ASN H . . 2.820 2.532 2.405 2.705 . 0 0 "[ . 1 . 2]" 2
1442 1 75 LYS H 1 76 ASN HA . . 3.870 3.839 3.796 3.914 0.044 20 0 "[ . 1 . 2]" 2
1443 1 75 LYS HA 1 75 LYS HG2 . . 4.210 2.468 2.288 3.062 . 0 0 "[ . 1 . 2]" 2
1444 1 75 LYS HA 1 75 LYS HG3 . . 4.210 3.355 3.268 3.621 . 0 0 "[ . 1 . 2]" 2
1445 1 75 LYS HA 1 76 ASN H . . 3.620 3.629 3.615 3.637 0.017 13 0 "[ . 1 . 2]" 2
1446 1 75 LYS HA 1 76 ASN QD . . 6.570 4.753 3.531 5.924 . 0 0 "[ . 1 . 2]" 2
1447 1 75 LYS HB2 1 76 ASN H . . 3.900 2.066 1.878 2.195 . 0 0 "[ . 1 . 2]" 2
1448 1 75 LYS HB3 1 76 ASN H . . 3.900 3.228 2.971 3.658 . 0 0 "[ . 1 . 2]" 2
1449 1 75 LYS QB 1 76 ASN H . . 3.640 2.042 1.868 2.159 . 0 0 "[ . 1 . 2]" 2
1450 1 75 LYS HG2 1 76 ASN H . . 5.700 4.621 4.108 4.721 . 0 0 "[ . 1 . 2]" 2
1451 1 75 LYS HG3 1 76 ASN H . . 5.700 3.965 2.867 4.221 . 0 0 "[ . 1 . 2]" 2
1452 1 75 LYS QG 1 76 ASN H . . 5.570 3.742 2.815 3.941 . 0 0 "[ . 1 . 2]" 2
1453 1 75 LYS QD 1 76 ASN H . . 6.580 4.394 3.963 4.574 . 0 0 "[ . 1 . 2]" 2
1454 1 76 ASN H 1 76 ASN HA . . 2.720 2.630 2.591 2.685 . 0 0 "[ . 1 . 2]" 2
1455 1 76 ASN H 1 77 TYR H . . 4.000 4.155 3.996 4.361 0.361 15 0 "[ . 1 . 2]" 2
1456 1 76 ASN HA 1 77 TYR H . . 2.970 2.446 2.306 2.769 . 0 0 "[ . 1 . 2]" 2
1457 1 76 ASN HA 1 77 TYR HA . . 4.340 4.403 4.375 4.460 0.120 15 0 "[ . 1 . 2]" 2
1458 1 76 ASN HA 1 77 TYR QD . . 7.840 4.241 3.640 4.788 . 0 0 "[ . 1 . 2]" 2
1459 1 76 ASN HA 1 77 TYR QE . . 7.830 5.235 4.802 5.983 . 0 0 "[ . 1 . 2]" 2
1460 1 76 ASN QB 1 77 TYR H . . 4.010 2.779 1.924 3.244 . 0 0 "[ . 1 . 2]" 2
1461 1 76 ASN HD21 1 77 TYR H . . 5.700 4.973 3.481 5.640 . 0 0 "[ . 1 . 2]" 2
1462 1 76 ASN HD22 1 77 TYR H . . 5.700 5.577 4.761 5.801 0.101 18 0 "[ . 1 . 2]" 2
1463 1 76 ASN QD 1 77 TYR H . . 5.570 4.610 3.427 5.057 . 0 0 "[ . 1 . 2]" 2
1464 1 77 TYR H 1 77 TYR QB . . 3.730 2.178 2.036 2.346 . 0 0 "[ . 1 . 2]" 2
1465 1 77 TYR H 1 78 SER H . . 10.200 4.603 4.545 4.643 . 0 0 "[ . 1 . 2]" 2
1466 1 77 TYR HA 1 78 SER HB2 . . 4.710 4.640 4.314 5.304 0.594 17 2 "[ . 1 . + -]" 2
1467 1 77 TYR HA 1 78 SER HB3 . . 4.710 4.449 4.146 5.296 0.586 20 2 "[ . 1 . - +]" 2
1468 1 77 TYR HA 1 78 SER QB . . 5.710 4.034 3.908 4.715 . 0 0 "[ . 1 . 2]" 2
1469 1 77 TYR HA 1 97 ILE MD . . 5.360 3.879 3.604 4.228 . 0 0 "[ . 1 . 2]" 2
1470 1 77 TYR HB2 1 78 SER H . . 3.870 3.958 3.854 4.159 0.289 19 0 "[ . 1 . 2]" 2
1471 1 77 TYR HB2 1 97 ILE MD . . 5.580 3.701 3.133 4.250 . 0 0 "[ . 1 . 2]" 2
1472 1 77 TYR HB3 1 78 SER H . . 3.870 2.794 2.621 3.047 . 0 0 "[ . 1 . 2]" 2
1473 1 77 TYR HB3 1 97 ILE MD . . 5.580 2.543 2.115 3.007 . 0 0 "[ . 1 . 2]" 2
1474 1 77 TYR QB 1 78 SER H . . 3.530 2.739 2.580 2.975 . 0 0 "[ . 1 . 2]" 2
1475 1 77 TYR QB 1 97 ILE MD . . 5.380 2.500 2.091 2.948 . 0 0 "[ . 1 . 2]" 2
1476 1 77 TYR QD 1 78 SER H . . 7.720 3.601 3.204 3.898 . 0 0 "[ . 1 . 2]" 2
1477 1 77 TYR QE 1 78 SER H . . 7.830 5.922 5.500 6.200 . 0 0 "[ . 1 . 2]" 2
1478 1 77 TYR QE 1 94 ALA HA . . 7.830 6.746 6.280 7.267 . 0 0 "[ . 1 . 2]" 2
1479 1 77 TYR QE 1 94 ALA MB . . 7.190 5.113 4.672 5.461 . 0 0 "[ . 1 . 2]" 2
1480 1 77 TYR QE 1 95 GLY H . . 6.250 5.816 5.016 5.952 . 0 0 "[ . 1 . 2]" 2
1481 1 78 SER H 1 79 PHE H . . 10.200 4.413 4.297 4.502 . 0 0 "[ . 1 . 2]" 2
1482 1 78 SER H 1 97 ILE MD . . 5.120 3.975 3.692 4.326 . 0 0 "[ . 1 . 2]" 2
1483 1 78 SER HA 1 79 PHE HA . . 10.200 4.431 4.413 4.457 . 0 0 "[ . 1 . 2]" 2
1484 1 78 SER HA 1 79 PHE QD . . 7.820 3.583 2.524 4.320 . 0 0 "[ . 1 . 2]" 2
1485 1 79 PHE H 1 79 PHE HB2 . . 3.500 2.782 2.646 2.967 . 0 0 "[ . 1 . 2]" 2
1486 1 79 PHE H 1 79 PHE QB . . 3.180 2.715 2.593 2.869 . 0 0 "[ . 1 . 2]" 2
1487 1 79 PHE H 1 80 SER H . . 10.200 4.399 4.337 4.460 . 0 0 "[ . 1 . 2]" 2
1488 1 79 PHE HA 1 80 SER H . . 2.600 2.300 2.241 2.394 . 0 0 "[ . 1 . 2]" 2
1489 1 79 PHE HB2 1 80 SER H . . 3.720 3.837 3.717 3.931 0.211 4 0 "[ . 1 . 2]" 2
1490 1 79 PHE HB3 1 80 SER H . . 3.720 3.061 2.751 3.357 . 0 0 "[ . 1 . 2]" 2
1491 1 79 PHE QB 1 80 SER H . . 3.440 2.943 2.683 3.152 . 0 0 "[ . 1 . 2]" 2
1492 1 79 PHE QD 1 80 SER H . . 7.730 4.401 4.053 4.769 . 0 0 "[ . 1 . 2]" 2
1493 1 79 PHE QD 1 84 SER HB2 . . 7.260 3.465 2.541 4.364 . 0 0 "[ . 1 . 2]" 2
1494 1 79 PHE QD 1 84 SER HB3 . . 7.260 3.548 2.630 4.350 . 0 0 "[ . 1 . 2]" 2
1495 1 79 PHE QD 1 84 SER QB . . 6.950 3.117 2.306 3.875 . 0 0 "[ . 1 . 2]" 2
1496 1 79 PHE QD 1 85 THR H . . 7.820 6.068 5.299 6.713 . 0 0 "[ . 1 . 2]" 2
1497 1 80 SER H 1 80 SER HB2 . . 3.310 3.363 3.302 3.434 0.124 8 0 "[ . 1 . 2]" 2
1498 1 80 SER H 1 80 SER HB3 . . 3.310 3.397 3.354 3.517 0.207 18 0 "[ . 1 . 2]" 2
1499 1 80 SER H 1 81 THR H . . 10.200 4.572 4.515 4.606 . 0 0 "[ . 1 . 2]" 2
1500 1 80 SER HA 1 81 THR H . . 2.600 2.375 2.334 2.417 . 0 0 "[ . 1 . 2]" 2
1501 1 80 SER HA 1 81 THR MG . . 6.730 3.770 3.707 3.819 . 0 0 "[ . 1 . 2]" 2
1502 1 80 SER QB 1 81 THR H . . 3.850 2.821 2.702 2.911 . 0 0 "[ . 1 . 2]" 2
1503 1 80 SER QB 1 81 THR MG . . 5.340 3.903 3.814 3.976 . 0 0 "[ . 1 . 2]" 2
1504 1 81 THR H 1 81 THR HA . . 2.910 2.620 2.600 2.645 . 0 0 "[ . 1 . 2]" 2
1505 1 81 THR H 1 81 THR MG . . 4.120 1.861 1.809 2.008 . 0 0 "[ . 1 . 2]" 2
1506 1 81 THR H 1 82 GLY H . . 10.200 4.617 4.587 4.650 . 0 0 "[ . 1 . 2]" 2
1507 1 81 THR HA 1 81 THR HB . . 2.720 2.549 2.525 2.566 . 0 0 "[ . 1 . 2]" 2
1508 1 81 THR HB 1 82 GLY H . . 3.190 3.133 2.977 3.238 0.048 14 0 "[ . 1 . 2]" 2
1509 1 81 THR MG 1 82 GLY H . . 4.650 3.968 3.905 4.039 . 0 0 "[ . 1 . 2]" 2
1510 1 81 THR MG 1 82 GLY HA2 . . 6.730 5.569 5.526 5.613 . 0 0 "[ . 1 . 2]" 2
1511 1 81 THR MG 1 82 GLY HA3 . . 6.730 5.612 5.584 5.630 . 0 0 "[ . 1 . 2]" 2
1512 1 82 GLY H 1 83 THR H . . 10.200 4.469 4.447 4.506 . 0 0 "[ . 1 . 2]" 2
1513 1 82 GLY HA2 1 83 THR H . . 2.970 3.033 2.985 3.066 0.096 1 0 "[ . 1 . 2]" 2
1514 1 82 GLY HA3 1 83 THR H . . 2.970 2.290 2.272 2.319 . 0 0 "[ . 1 . 2]" 2
1515 1 83 THR H 1 83 THR HB . . 2.880 2.807 2.678 2.919 0.039 7 0 "[ . 1 . 2]" 2
1516 1 83 THR H 1 84 SER H . . 4.270 4.392 4.347 4.430 0.160 18 0 "[ . 1 . 2]" 2
1517 1 83 THR HA 1 84 SER H . . 2.600 2.205 2.178 2.221 . 0 0 "[ . 1 . 2]" 2
1518 1 83 THR HA 1 84 SER QB . . 5.250 4.534 4.343 4.676 . 0 0 "[ . 1 . 2]" 2
1519 1 83 THR HB 1 84 SER H . . 3.900 4.033 3.979 4.124 0.224 6 0 "[ . 1 . 2]" 2
1520 1 83 THR HB 1 100 GLY HA2 . . 4.550 2.689 2.463 2.930 . 0 0 "[ . 1 . 2]" 2
1521 1 83 THR HB 1 100 GLY HA3 . . 4.550 4.433 4.209 4.626 0.076 18 0 "[ . 1 . 2]" 2
1522 1 83 THR HB 1 100 GLY QA . . 4.290 2.667 2.447 2.900 . 0 0 "[ . 1 . 2]" 2
1523 1 83 THR HB 1 101 ALA H . . 4.710 2.767 2.424 2.987 . 0 0 "[ . 1 . 2]" 2
1524 1 83 THR MG 1 84 SER H . . 4.060 2.490 2.357 2.662 . 0 0 "[ . 1 . 2]" 2
1525 1 83 THR MG 1 84 SER HA . . 6.050 4.174 3.873 4.374 . 0 0 "[ . 1 . 2]" 2
1526 1 83 THR MG 1 100 GLY HA2 . . 6.230 3.721 3.639 3.820 . 0 0 "[ . 1 . 2]" 2
1527 1 83 THR MG 1 100 GLY HA3 . . 6.230 5.045 4.922 5.103 . 0 0 "[ . 1 . 2]" 2
1528 1 83 THR MG 1 100 GLY QA . . 5.880 3.630 3.548 3.701 . 0 0 "[ . 1 . 2]" 2
1529 1 83 THR MG 1 101 ALA H . . 4.560 2.643 2.485 2.744 . 0 0 "[ . 1 . 2]" 2
1530 1 83 THR MG 1 101 ALA HA . . 4.680 3.278 2.402 3.625 . 0 0 "[ . 1 . 2]" 2
1531 1 83 THR MG 1 101 ALA MB . . 6.050 2.017 1.849 2.175 . 0 0 "[ . 1 . 2]" 2
1532 1 83 THR O 1 100 GLY N . . 2.700 2.658 2.607 2.734 0.034 14 0 "[ . 1 . 2]" 2
1533 1 83 THR O 1 100 GLY H . . 1.800 2.129 2.073 2.178 0.378 7 0 "[ . 1 . 2]" 2
1534 1 84 SER H 1 84 SER HB2 . . 3.750 3.656 3.466 3.818 0.068 5 0 "[ . 1 . 2]" 2
1535 1 84 SER H 1 84 SER HB3 . . 3.750 3.503 3.272 3.697 . 0 0 "[ . 1 . 2]" 2
1536 1 84 SER H 1 84 SER QB . . 3.430 3.173 3.095 3.217 . 0 0 "[ . 1 . 2]" 2
1537 1 84 SER H 1 85 THR H . . 10.200 4.427 4.415 4.441 . 0 0 "[ . 1 . 2]" 2
1538 1 84 SER H 1 100 GLY H . . 4.550 4.157 4.105 4.202 . 0 0 "[ . 1 . 2]" 2
1539 1 84 SER HA 1 85 THR H . . 2.790 2.361 2.341 2.370 . 0 0 "[ . 1 . 2]" 2
1540 1 84 SER HA 1 85 THR HB . . 4.240 4.364 4.280 4.471 0.231 7 0 "[ . 1 . 2]" 2
1541 1 84 SER HA 1 97 ILE MG . . 5.890 4.262 4.213 4.340 . 0 0 "[ . 1 . 2]" 2
1542 1 84 SER HA 1 98 THR H . . 4.400 4.317 4.221 4.392 . 0 0 "[ . 1 . 2]" 2
1543 1 84 SER HA 1 99 SER H . . 4.680 4.670 4.587 4.708 0.028 18 0 "[ . 1 . 2]" 2
1544 1 84 SER HA 1 99 SER HA . . 3.130 2.431 2.278 2.543 . 0 0 "[ . 1 . 2]" 2
1545 1 84 SER HA 1 99 SER QB . . 6.580 4.443 4.158 4.651 . 0 0 "[ . 1 . 2]" 2
1546 1 84 SER HA 1 100 GLY H . . 2.820 1.921 1.895 1.959 . 0 0 "[ . 1 . 2]" 2
1547 1 84 SER HB2 1 97 ILE MG . . 4.900 2.482 2.347 2.683 . 0 0 "[ . 1 . 2]" 2
1548 1 84 SER HB2 1 99 SER HA . . 5.420 4.025 3.622 4.334 . 0 0 "[ . 1 . 2]" 2
1549 1 84 SER HB2 1 100 GLY H . . 5.510 4.517 4.284 4.705 . 0 0 "[ . 1 . 2]" 2
1550 1 84 SER HB3 1 97 ILE MG . . 4.900 3.378 3.144 3.612 . 0 0 "[ . 1 . 2]" 2
1551 1 84 SER HB3 1 99 SER HA . . 5.420 3.054 2.859 3.297 . 0 0 "[ . 1 . 2]" 2
1552 1 84 SER HB3 1 100 GLY H . . 5.510 3.973 3.875 4.107 . 0 0 "[ . 1 . 2]" 2
1553 1 84 SER QB 1 85 THR H . . 4.130 2.800 2.748 2.866 . 0 0 "[ . 1 . 2]" 2
1554 1 84 SER QB 1 97 ILE MG . . 4.630 2.417 2.319 2.559 . 0 0 "[ . 1 . 2]" 2
1555 1 84 SER QB 1 98 THR H . . 6.050 3.486 3.213 3.750 . 0 0 "[ . 1 . 2]" 2
1556 1 84 SER QB 1 98 THR MG . . 7.610 5.691 5.596 5.776 . 0 0 "[ . 1 . 2]" 2
1557 1 84 SER QB 1 99 SER HA . . 5.080 2.958 2.799 3.098 . 0 0 "[ . 1 . 2]" 2
1558 1 84 SER QB 1 100 GLY H . . 5.250 3.726 3.671 3.807 . 0 0 "[ . 1 . 2]" 2
1559 1 85 THR N 1 98 THR O . . 2.700 2.778 2.667 2.851 0.151 12 0 "[ . 1 . 2]" 2
1560 1 85 THR H 1 86 TYR H . . 4.460 4.496 4.471 4.518 0.058 18 0 "[ . 1 . 2]" 2
1561 1 85 THR H 1 97 ILE MG . . 5.390 3.463 3.326 3.637 . 0 0 "[ . 1 . 2]" 2
1562 1 85 THR H 1 98 THR H . . 3.380 2.437 2.374 2.488 . 0 0 "[ . 1 . 2]" 2
1563 1 85 THR H 1 98 THR MG . . 5.980 4.547 4.459 4.629 . 0 0 "[ . 1 . 2]" 2
1564 1 85 THR H 1 98 THR O . . 1.800 1.907 1.784 1.996 0.196 12 0 "[ . 1 . 2]" 2
1565 1 85 THR H 1 99 SER HA . . 3.780 3.736 3.624 3.832 0.052 14 0 "[ . 1 . 2]" 2
1566 1 85 THR H 1 100 GLY H . . 3.780 3.242 3.128 3.361 . 0 0 "[ . 1 . 2]" 2
1567 1 85 THR HA 1 86 TYR H . . 2.720 2.214 2.210 2.221 . 0 0 "[ . 1 . 2]" 2
1568 1 85 THR HA 1 86 TYR QB . . 5.460 3.805 3.786 3.812 . 0 0 "[ . 1 . 2]" 2
1569 1 85 THR HA 1 98 THR H . . 4.860 4.389 4.346 4.443 . 0 0 "[ . 1 . 2]" 2
1570 1 85 THR HB 1 86 TYR H . . 4.180 4.287 4.223 4.326 0.146 18 0 "[ . 1 . 2]" 2
1571 1 85 THR HB 1 98 THR H . . 4.270 3.380 3.227 3.577 . 0 0 "[ . 1 . 2]" 2
1572 1 85 THR HB 1 98 THR HB . . 4.270 2.930 2.473 3.429 . 0 0 "[ . 1 . 2]" 2
1573 1 85 THR MG 1 86 TYR H . . 4.340 2.419 2.248 2.586 . 0 0 "[ . 1 . 2]" 2
1574 1 85 THR MG 1 102 PRO HA . . 5.430 4.312 4.240 4.404 . 0 0 "[ . 1 . 2]" 2
1575 1 85 THR MG 1 102 PRO QB . . 5.810 3.074 2.953 3.222 . 0 0 "[ . 1 . 2]" 2
1576 1 85 THR MG 1 102 PRO HG2 . . 5.700 3.896 3.517 4.558 . 0 0 "[ . 1 . 2]" 2
1577 1 85 THR MG 1 102 PRO HG3 . . 5.700 2.395 2.126 3.033 . 0 0 "[ . 1 . 2]" 2
1578 1 85 THR MG 1 102 PRO QG . . 5.270 2.373 2.112 2.991 . 0 0 "[ . 1 . 2]" 2
1579 1 85 THR O 1 98 THR N . . 2.700 2.665 2.638 2.691 . 0 0 "[ . 1 . 2]" 2
1580 1 85 THR O 1 98 THR H . . 1.800 1.774 1.725 1.847 0.047 14 0 "[ . 1 . 2]" 2
1581 1 86 TYR H 1 86 TYR HB2 . . 3.590 2.755 2.674 2.873 . 0 0 "[ . 1 . 2]" 2
1582 1 86 TYR H 1 86 TYR HB3 . . 3.590 2.520 2.464 2.617 . 0 0 "[ . 1 . 2]" 2
1583 1 86 TYR H 1 86 TYR QB . . 3.300 2.332 2.301 2.362 . 0 0 "[ . 1 . 2]" 2
1584 1 86 TYR H 1 87 THR H . . 4.210 4.348 4.287 4.393 0.183 5 0 "[ . 1 . 2]" 2
1585 1 86 TYR HA 1 87 THR H . . 2.600 2.193 2.187 2.201 . 0 0 "[ . 1 . 2]" 2
1586 1 86 TYR HA 1 87 THR HB . . 4.270 4.315 4.283 4.359 0.089 9 0 "[ . 1 . 2]" 2
1587 1 86 TYR HA 1 96 THR H . . 10.200 4.791 4.606 4.947 . 0 0 "[ . 1 . 2]" 2
1588 1 86 TYR HA 1 96 THR HB . . 5.700 5.239 5.127 5.499 . 0 0 "[ . 1 . 2]" 2
1589 1 86 TYR HA 1 97 ILE HA . . 3.310 2.518 2.391 2.624 . 0 0 "[ . 1 . 2]" 2
1590 1 86 TYR HA 1 97 ILE QG . . 6.460 3.469 3.336 3.586 . 0 0 "[ . 1 . 2]" 2
1591 1 86 TYR HA 1 98 THR H . . 3.870 3.792 3.697 3.892 0.022 14 0 "[ . 1 . 2]" 2
1592 1 86 TYR HB3 1 87 THR H . . 4.120 4.252 4.198 4.288 0.168 3 0 "[ . 1 . 2]" 2
1593 1 86 TYR QD 1 87 THR H . . 7.590 3.193 2.905 3.700 . 0 0 "[ . 1 . 2]" 2
1594 1 86 TYR QD 1 88 PRO HA . . 7.840 5.081 3.953 5.777 . 0 0 "[ . 1 . 2]" 2
1595 1 86 TYR QD 1 88 PRO QB . . 8.720 5.457 4.204 6.165 . 0 0 "[ . 1 . 2]" 2
1596 1 86 TYR QD 1 88 PRO HD2 . . 7.840 5.865 4.674 6.711 . 0 0 "[ . 1 . 2]" 2
1597 1 86 TYR QD 1 88 PRO HD3 . . 7.840 4.554 3.209 5.590 . 0 0 "[ . 1 . 2]" 2
1598 1 86 TYR QD 1 89 GLY H . . 7.840 6.821 6.013 7.263 . 0 0 "[ . 1 . 2]" 2
1599 1 86 TYR QD 1 96 THR H . . 7.840 4.516 4.042 5.235 . 0 0 "[ . 1 . 2]" 2
1600 1 86 TYR QD 1 97 ILE HA . . 7.840 3.660 2.667 4.720 . 0 0 "[ . 1 . 2]" 2
1601 1 86 TYR QD 1 97 ILE HB . . 7.840 5.029 4.290 6.015 . 0 0 "[ . 1 . 2]" 2
1602 1 86 TYR QD 1 97 ILE MG . . 8.870 3.225 2.212 3.929 . 0 0 "[ . 1 . 2]" 2
1603 1 86 TYR QD 1 97 ILE HG12 . . 7.440 2.533 1.977 3.503 . 0 0 "[ . 1 . 2]" 2
1604 1 86 TYR QD 1 97 ILE HG13 . . 7.440 3.459 2.039 4.457 . 0 0 "[ . 1 . 2]" 2
1605 1 86 TYR QD 1 97 ILE MD . . 8.680 3.805 2.969 4.723 . 0 0 "[ . 1 . 2]" 2
1606 1 86 TYR QD 1 98 THR H . . 7.840 5.281 4.696 5.971 . 0 0 "[ . 1 . 2]" 2
1607 1 86 TYR QE 1 87 THR H . . 7.830 4.557 4.324 4.922 . 0 0 "[ . 1 . 2]" 2
1608 1 86 TYR QE 1 88 PRO HA . . 7.580 4.327 3.273 5.208 . 0 0 "[ . 1 . 2]" 2
1609 1 86 TYR QE 1 88 PRO HB2 . . 7.830 6.354 5.229 7.184 . 0 0 "[ . 1 . 2]" 2
1610 1 86 TYR QE 1 88 PRO HB3 . . 7.830 4.950 3.736 5.920 . 0 0 "[ . 1 . 2]" 2
1611 1 86 TYR QE 1 88 PRO QG . . 8.710 5.685 4.837 6.466 . 0 0 "[ . 1 . 2]" 2
1612 1 86 TYR QE 1 89 GLY H . . 7.830 5.715 4.892 6.317 . 0 0 "[ . 1 . 2]" 2
1613 1 86 TYR QE 1 95 GLY H . . 7.830 4.923 4.550 5.632 . 0 0 "[ . 1 . 2]" 2
1614 1 86 TYR QE 1 95 GLY HA2 . . 7.830 3.173 2.685 4.019 . 0 0 "[ . 1 . 2]" 2
1615 1 86 TYR QE 1 95 GLY HA3 . . 7.830 3.021 2.300 3.924 . 0 0 "[ . 1 . 2]" 2
1616 1 86 TYR QE 1 96 THR H . . 7.830 4.269 3.686 5.095 . 0 0 "[ . 1 . 2]" 2
1617 1 87 THR N 1 96 THR O . . 2.700 2.831 2.754 2.894 0.194 11 0 "[ . 1 . 2]" 2
1618 1 87 THR H 1 87 THR HB . . 2.970 2.536 2.426 2.626 . 0 0 "[ . 1 . 2]" 2
1619 1 87 THR H 1 88 PRO QD . . 6.330 4.261 4.086 4.297 . 0 0 "[ . 1 . 2]" 2
1620 1 87 THR H 1 96 THR HB . . 4.890 4.025 3.918 4.155 . 0 0 "[ . 1 . 2]" 2
1621 1 87 THR H 1 96 THR MG . . 5.770 4.834 4.687 4.945 . 0 0 "[ . 1 . 2]" 2
1622 1 87 THR H 1 96 THR O . . 1.800 1.870 1.767 1.933 0.133 11 0 "[ . 1 . 2]" 2
1623 1 87 THR H 1 97 ILE HA . . 3.620 3.680 3.502 3.749 0.129 14 0 "[ . 1 . 2]" 2
1624 1 87 THR H 1 97 ILE QG . . 6.300 4.246 4.106 4.347 . 0 0 "[ . 1 . 2]" 2
1625 1 87 THR H 1 98 THR H . . 10.200 5.168 4.964 5.277 . 0 0 "[ . 1 . 2]" 2
1626 1 87 THR HA 1 88 PRO HD2 . . 3.650 2.556 2.266 2.601 . 0 0 "[ . 1 . 2]" 2
1627 1 87 THR HA 1 88 PRO HD3 . . 3.650 1.920 1.889 1.929 . 0 0 "[ . 1 . 2]" 2
1628 1 87 THR HB 1 96 THR H . . 4.150 4.054 3.708 4.177 0.027 17 0 "[ . 1 . 2]" 2
1629 1 87 THR HB 1 96 THR MG . . 5.950 4.484 4.235 4.691 . 0 0 "[ . 1 . 2]" 2
1630 1 87 THR MG 1 88 PRO QG . . 7.600 3.328 3.254 4.017 . 0 0 "[ . 1 . 2]" 2
1631 1 87 THR MG 1 88 PRO HD2 . . 5.430 1.831 1.762 2.518 . 0 0 "[ . 1 . 2]" 2
1632 1 87 THR MG 1 88 PRO HD3 . . 5.430 2.951 2.889 3.566 . 0 0 "[ . 1 . 2]" 2
1633 1 87 THR MG 1 96 THR HB . . 6.200 4.520 4.196 4.849 . 0 0 "[ . 1 . 2]" 2
1634 1 88 PRO HB2 1 89 GLY H . . 3.530 3.286 3.253 3.372 . 0 0 "[ . 1 . 2]" 2
1635 1 88 PRO HB3 1 89 GLY H . . 3.530 3.723 3.702 3.779 0.249 9 0 "[ . 1 . 2]" 2
1636 1 88 PRO QB 1 89 GLY H . . 3.350 3.081 3.054 3.150 . 0 0 "[ . 1 . 2]" 2
1637 1 88 PRO QB 1 95 GLY QA . . 7.450 4.412 3.982 4.602 . 0 0 "[ . 1 . 2]" 2
1638 1 88 PRO QG 1 95 GLY QA . . 7.460 5.663 5.318 5.796 . 0 0 "[ . 1 . 2]" 2
1639 1 89 GLY H 1 89 GLY HA2 . . 2.820 2.902 2.694 2.953 0.133 5 0 "[ . 1 . 2]" 2
1640 1 89 GLY H 1 89 GLY HA3 . . 2.820 2.317 2.246 2.390 . 0 0 "[ . 1 . 2]" 2
1641 1 89 GLY H 1 90 ASN H . . 3.840 3.822 2.496 4.046 0.206 1 0 "[ . 1 . 2]" 2
1642 1 89 GLY H 1 93 ASN QB . . 6.110 3.833 3.155 4.263 . 0 0 "[ . 1 . 2]" 2
1643 1 89 GLY H 1 95 GLY QA . . 4.380 3.317 3.021 3.587 . 0 0 "[ . 1 . 2]" 2
1644 1 89 GLY H 1 96 THR H . . 4.090 4.180 4.103 4.292 0.202 3 0 "[ . 1 . 2]" 2
1645 1 89 GLY HA2 1 93 ASN QB . . 5.370 2.367 1.758 3.130 . 0 0 "[ . 1 . 2]" 2
1646 1 89 GLY HA2 1 93 ASN HD21 . . 7.450 4.277 2.232 5.797 . 0 0 "[ . 1 . 2]" 2
1647 1 89 GLY HA2 1 93 ASN HD22 . . 7.450 5.069 3.033 6.362 . 0 0 "[ . 1 . 2]" 2
1648 1 89 GLY HA2 1 94 ALA H . . 4.800 4.745 3.305 4.983 0.183 15 0 "[ . 1 . 2]" 2
1649 1 89 GLY HA3 1 93 ASN QB . . 5.370 1.941 1.744 2.845 . 0 0 "[ . 1 . 2]" 2
1650 1 89 GLY HA3 1 93 ASN HD21 . . 7.450 4.352 1.920 5.553 . 0 0 "[ . 1 . 2]" 2
1651 1 89 GLY HA3 1 93 ASN HD22 . . 7.450 5.399 3.414 6.766 . 0 0 "[ . 1 . 2]" 2
1652 1 89 GLY HA3 1 94 ALA H . . 4.800 3.554 3.232 4.343 . 0 0 "[ . 1 . 2]" 2
1653 1 89 GLY QA 1 90 ASN HA . . 5.460 4.069 4.010 4.278 . 0 0 "[ . 1 . 2]" 2
1654 1 89 GLY QA 1 93 ASN H . . 5.150 3.775 2.616 4.652 . 0 0 "[ . 1 . 2]" 2
1655 1 89 GLY QA 1 93 ASN QB . . 5.160 1.797 1.623 2.061 . 0 0 "[ . 1 . 2]" 2
1656 1 89 GLY QA 1 93 ASN QD . . 6.520 3.593 1.801 4.572 . 0 0 "[ . 1 . 2]" 2
1657 1 90 ASN H 1 90 ASN HA . . 2.600 2.618 2.230 2.836 0.236 16 0 "[ . 1 . 2]" 2
1658 1 90 ASN H 1 90 ASN HD21 . . 5.700 4.312 3.143 5.313 . 0 0 "[ . 1 . 2]" 2
1659 1 90 ASN H 1 90 ASN HD22 . . 5.700 5.293 4.359 5.718 0.018 16 0 "[ . 1 . 2]" 2
1660 1 90 ASN H 1 91 SER H . . 4.370 3.515 2.449 4.370 0.000 15 0 "[ . 1 . 2]" 2
1661 1 90 ASN H 1 93 ASN QB . . 4.560 2.314 1.821 3.823 . 0 0 "[ . 1 . 2]" 2
1662 1 90 ASN H 1 93 ASN HD21 . . 5.700 4.308 1.941 5.266 . 0 0 "[ . 1 . 2]" 2
1663 1 90 ASN H 1 93 ASN HD22 . . 5.700 5.535 3.402 5.916 0.216 12 0 "[ . 1 . 2]" 2
1664 1 90 ASN H 1 93 ASN QD . . 5.520 4.144 1.930 4.884 . 0 0 "[ . 1 . 2]" 2
1665 1 90 ASN HA 1 91 SER H . . 2.600 2.428 2.269 2.766 0.166 15 0 "[ . 1 . 2]" 2
1666 1 91 SER H 1 92 GLY H . . 4.060 3.809 1.875 4.285 0.225 14 0 "[ . 1 . 2]" 2
1667 1 91 SER H 1 93 ASN H . . 4.400 3.860 2.485 4.464 0.064 19 0 "[ . 1 . 2]" 2
1668 1 91 SER HB2 1 92 GLY H . . 4.430 3.052 2.257 4.576 0.146 10 0 "[ . 1 . 2]" 2
1669 1 91 SER HB2 1 93 ASN H . . 4.370 4.231 3.610 4.524 0.154 14 0 "[ . 1 . 2]" 2
1670 1 91 SER HB3 1 92 GLY H . . 4.430 2.539 1.865 4.408 . 0 0 "[ . 1 . 2]" 2
1671 1 91 SER HB3 1 93 ASN H . . 4.370 4.278 3.545 4.652 0.282 14 0 "[ . 1 . 2]" 2
1672 1 91 SER QB 1 92 GLY H . . 4.150 2.387 1.829 3.924 . 0 0 "[ . 1 . 2]" 2
1673 1 92 GLY H 1 92 GLY HA2 . . 3.130 2.706 2.254 2.960 . 0 0 "[ . 1 . 2]" 2
1674 1 92 GLY H 1 92 GLY HA3 . . 3.130 2.477 2.245 2.881 . 0 0 "[ . 1 . 2]" 2
1675 1 92 GLY H 1 93 ASN H . . 3.130 2.590 1.828 3.388 0.258 3 0 "[ . 1 . 2]" 2
1676 1 92 GLY H 1 93 ASN QB . . 6.020 4.480 3.245 5.152 . 0 0 "[ . 1 . 2]" 2
1677 1 92 GLY HA2 1 93 ASN H . . 3.590 3.493 3.056 3.622 0.032 3 0 "[ . 1 . 2]" 2
1678 1 92 GLY HA3 1 93 ASN H . . 3.590 3.124 2.871 3.561 . 0 0 "[ . 1 . 2]" 2
1679 1 93 ASN H 1 93 ASN HD21 . . 5.140 3.386 1.825 4.804 . 0 0 "[ . 1 . 2]" 2
1680 1 93 ASN H 1 93 ASN HD22 . . 5.140 4.475 2.440 5.317 0.177 9 0 "[ . 1 . 2]" 2
1681 1 93 ASN H 1 93 ASN QD . . 4.720 3.236 1.777 4.325 . 0 0 "[ . 1 . 2]" 2
1682 1 93 ASN H 1 94 ALA H . . 10.200 4.564 4.498 4.657 . 0 0 "[ . 1 . 2]" 2
1683 1 93 ASN H 1 94 ALA MB . . 6.730 4.926 4.533 5.598 . 0 0 "[ . 1 . 2]" 2
1684 1 93 ASN HA 1 94 ALA H . . 2.600 2.505 2.486 2.553 . 0 0 "[ . 1 . 2]" 2
1685 1 93 ASN HA 1 94 ALA MB . . 6.480 3.828 3.740 4.049 . 0 0 "[ . 1 . 2]" 2
1686 1 93 ASN QB 1 94 ALA H . . 3.970 2.596 2.465 3.394 . 0 0 "[ . 1 . 2]" 2
1687 1 93 ASN HD21 1 94 ALA H . . 5.700 4.644 2.987 5.376 . 0 0 "[ . 1 . 2]" 2
1688 1 93 ASN HD22 1 94 ALA H . . 5.700 5.413 2.912 5.835 0.135 14 0 "[ . 1 . 2]" 2
1689 1 94 ALA H 1 94 ALA HA . . 3.100 2.878 2.814 2.942 . 0 0 "[ . 1 . 2]" 2
1690 1 94 ALA H 1 94 ALA MB . . 3.630 2.658 2.210 2.855 . 0 0 "[ . 1 . 2]" 2
1691 1 94 ALA H 1 95 GLY H . . 3.530 3.616 3.558 3.902 0.372 15 0 "[ . 1 . 2]" 2
1692 1 94 ALA HA 1 95 GLY H . . 2.660 2.368 2.216 3.311 0.651 9 2 "[ . +1 - 2]" 2
1693 1 94 ALA MB 1 95 GLY H . . 4.280 3.440 1.799 3.751 . 0 0 "[ . 1 . 2]" 2
1694 1 95 GLY H 1 95 GLY HA2 . . 3.100 2.321 2.246 2.960 . 0 0 "[ . 1 . 2]" 2
1695 1 95 GLY H 1 95 GLY HA3 . . 3.100 2.732 2.482 2.844 . 0 0 "[ . 1 . 2]" 2
1696 1 95 GLY H 1 96 THR H . . 3.930 3.602 3.263 4.277 0.347 15 0 "[ . 1 . 2]" 2
1697 1 95 GLY QA 1 96 THR H . . 3.280 2.253 2.170 2.338 . 0 0 "[ . 1 . 2]" 2
1698 1 95 GLY QA 1 96 THR MG . . 7.020 4.118 3.980 4.241 . 0 0 "[ . 1 . 2]" 2
1699 1 96 THR H 1 97 ILE H . . 10.200 4.575 4.543 4.589 . 0 0 "[ . 1 . 2]" 2
1700 1 96 THR HA 1 96 THR HB . . 3.000 2.702 2.681 2.723 . 0 0 "[ . 1 . 2]" 2
1701 1 96 THR HA 1 97 ILE H . . 2.600 2.220 2.210 2.240 . 0 0 "[ . 1 . 2]" 2
1702 1 96 THR HA 1 97 ILE MD . . 6.730 4.128 3.431 4.623 . 0 0 "[ . 1 . 2]" 2
1703 1 96 THR HB 1 97 ILE H . . 3.310 3.259 3.169 3.309 . 0 0 "[ . 1 . 2]" 2
1704 1 96 THR MG 1 97 ILE H . . 4.430 3.641 3.583 3.708 . 0 0 "[ . 1 . 2]" 2
1705 1 97 ILE H 1 97 ILE HB . . 2.720 2.760 2.712 2.818 0.098 15 0 "[ . 1 . 2]" 2
1706 1 97 ILE H 1 97 ILE QG . . 3.670 2.558 2.376 2.734 . 0 0 "[ . 1 . 2]" 2
1707 1 97 ILE H 1 97 ILE MD . . 5.520 3.420 2.703 3.863 . 0 0 "[ . 1 . 2]" 2
1708 1 97 ILE H 1 98 THR H . . 4.240 4.423 4.416 4.440 0.200 5 0 "[ . 1 . 2]" 2
1709 1 97 ILE HA 1 98 THR H . . 2.600 2.245 2.240 2.252 . 0 0 "[ . 1 . 2]" 2
1710 1 97 ILE HB 1 98 THR H . . 3.750 3.972 3.928 4.009 0.259 7 0 "[ . 1 . 2]" 2
1711 1 97 ILE MG 1 98 THR HA . . 5.430 3.907 3.745 4.049 . 0 0 "[ . 1 . 2]" 2
1712 1 97 ILE MG 1 99 SER H . . 6.540 5.144 5.030 5.282 . 0 0 "[ . 1 . 2]" 2
1713 1 97 ILE MG 1 99 SER HA . . 6.730 4.622 4.542 4.725 . 0 0 "[ . 1 . 2]" 2
1714 1 97 ILE MG 1 100 GLY H . . 6.730 5.534 5.489 5.578 . 0 0 "[ . 1 . 2]" 2
1715 1 97 ILE QG 1 98 THR H . . 5.370 4.341 4.284 4.406 . 0 0 "[ . 1 . 2]" 2
1716 1 97 ILE MD 1 98 THR H . . 6.730 5.174 5.100 5.216 . 0 0 "[ . 1 . 2]" 2
1717 1 98 THR H 1 98 THR HB . . 3.530 3.501 3.291 3.617 0.087 9 0 "[ . 1 . 2]" 2
1718 1 98 THR H 1 99 SER H . . 10.200 4.472 4.456 4.481 . 0 0 "[ . 1 . 2]" 2
1719 1 98 THR HA 1 98 THR HB . . 2.940 2.762 2.664 2.892 . 0 0 "[ . 1 . 2]" 2
1720 1 98 THR HB 1 99 SER H . . 2.940 2.766 2.662 2.973 0.033 19 0 "[ . 1 . 2]" 2
1721 1 98 THR MG 1 99 SER H . . 4.340 3.240 2.789 3.539 . 0 0 "[ . 1 . 2]" 2
1722 1 99 SER H 1 99 SER HA . . 3.070 2.909 2.907 2.912 . 0 0 "[ . 1 . 2]" 2
1723 1 99 SER H 1 99 SER QB . . 3.760 2.500 2.270 2.947 . 0 0 "[ . 1 . 2]" 2
1724 1 99 SER H 1 100 GLY H . . 3.870 4.035 4.012 4.056 0.186 6 0 "[ . 1 . 2]" 2
1725 1 99 SER HA 1 100 GLY H . . 2.600 2.292 2.282 2.302 . 0 0 "[ . 1 . 2]" 2
1726 1 99 SER HA 1 100 GLY QA . . 4.970 3.925 3.923 3.929 . 0 0 "[ . 1 . 2]" 2
1727 1 99 SER QB 1 100 GLY H . . 4.310 3.803 3.769 3.847 . 0 0 "[ . 1 . 2]" 2
1728 1 100 GLY H 1 100 GLY HA2 . . 3.030 2.513 2.476 2.564 . 0 0 "[ . 1 . 2]" 2
1729 1 100 GLY H 1 100 GLY HA3 . . 3.030 2.956 2.947 2.961 . 0 0 "[ . 1 . 2]" 2
1730 1 100 GLY H 1 100 GLY QA . . 2.800 2.383 2.357 2.414 . 0 0 "[ . 1 . 2]" 2
1731 1 100 GLY H 1 101 ALA H . . 3.750 3.843 3.789 3.896 0.146 5 0 "[ . 1 . 2]" 2
1732 1 101 ALA H 1 101 ALA HA . . 3.100 2.787 2.778 2.823 . 0 0 "[ . 1 . 2]" 2
1733 1 101 ALA H 1 101 ALA MB . . 3.630 2.119 1.938 2.161 . 0 0 "[ . 1 . 2]" 2
1734 1 101 ALA H 1 102 PRO HD2 . . 5.700 4.955 4.944 5.002 . 0 0 "[ . 1 . 2]" 2
1735 1 101 ALA H 1 102 PRO HD3 . . 5.700 4.735 4.713 4.743 . 0 0 "[ . 1 . 2]" 2
1736 1 101 ALA H 1 102 PRO QD . . 5.480 4.309 4.306 4.320 . 0 0 "[ . 1 . 2]" 2
1737 1 101 ALA HA 1 102 PRO HG2 . . 5.640 4.649 4.566 4.670 . 0 0 "[ . 1 . 2]" 2
1738 1 101 ALA HA 1 102 PRO HG3 . . 5.640 4.268 4.223 4.281 . 0 0 "[ . 1 . 2]" 2
1739 1 101 ALA HA 1 102 PRO QG . . 5.370 3.947 3.895 3.961 . 0 0 "[ . 1 . 2]" 2
1740 1 101 ALA HA 1 102 PRO HD2 . . 3.310 2.725 2.612 2.752 . 0 0 "[ . 1 . 2]" 2
1741 1 101 ALA HA 1 102 PRO HD3 . . 3.310 2.004 1.952 2.018 . 0 0 "[ . 1 . 2]" 2
1742 1 101 ALA HA 1 102 PRO QD . . 3.010 1.956 1.900 1.970 . 0 0 "[ . 1 . 2]" 2
1743 1 101 ALA MB 1 102 PRO HD2 . . 4.710 2.147 2.037 2.375 . 0 0 "[ . 1 . 2]" 2
1744 1 101 ALA MB 1 102 PRO HD3 . . 4.710 2.981 2.904 3.162 . 0 0 "[ . 1 . 2]" 2
1745 1 101 ALA MB 1 102 PRO QD . . 4.290 2.100 1.999 2.311 . 0 0 "[ . 1 . 2]" 2
1746 1 101 ALA MB 1 103 ALA H . . 6.510 5.505 5.416 5.542 . 0 0 "[ . 1 . 2]" 2
1747 1 102 PRO HB2 1 103 ALA H . . 3.470 3.162 3.105 3.229 . 0 0 "[ . 1 . 2]" 2
1748 1 102 PRO HB3 1 103 ALA H . . 3.470 3.646 3.612 3.687 0.217 18 0 "[ . 1 . 2]" 2
1749 1 102 PRO QB 1 104 GLY H . . 4.570 2.988 2.812 4.383 . 0 0 "[ . 1 . 2]" 2
1750 1 102 PRO HG2 1 103 ALA H . . 5.700 5.059 5.021 5.103 . 0 0 "[ . 1 . 2]" 2
1751 1 102 PRO HG3 1 103 ALA H . . 5.700 5.483 5.451 5.519 . 0 0 "[ . 1 . 2]" 2
1752 1 102 PRO QG 1 103 ALA H . . 5.380 4.670 4.638 4.707 . 0 0 "[ . 1 . 2]" 2
1753 1 102 PRO QD 1 103 ALA H . . 5.790 5.035 5.032 5.036 . 0 0 "[ . 1 . 2]" 2
1754 1 103 ALA H 1 104 GLY H . . 3.280 3.223 2.799 3.298 0.018 11 0 "[ . 1 . 2]" 2
1755 1 103 ALA HA 1 104 GLY H . . 3.000 2.666 2.584 3.086 0.086 7 0 "[ . 1 . 2]" 2
1756 1 103 ALA HA 1 104 GLY QA . . 5.930 4.031 3.950 4.243 . 0 0 "[ . 1 . 2]" 2
1757 1 103 ALA MB 1 104 GLY QA . . 7.600 4.163 3.934 4.314 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 26
_Distance_constraint_stats_list.Viol_count 92
_Distance_constraint_stats_list.Viol_total 131.830
_Distance_constraint_stats_list.Viol_max 0.191
_Distance_constraint_stats_list.Viol_rms 0.0344
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0127
_Distance_constraint_stats_list.Viol_average_violations_only 0.0716
_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 7 VAL 1.006 0.136 8 0 "[ . 1 . 2]"
1 8 THR 5.383 0.191 5 0 "[ . 1 . 2]"
1 9 ILE 2.900 0.168 7 0 "[ . 1 . 2]"
1 10 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ILE 0.203 0.059 14 0 "[ . 1 . 2]"
1 50 VAL 1.006 0.136 8 0 "[ . 1 . 2]"
1 81 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLY 1.046 0.133 18 0 "[ . 1 . 2]"
1 83 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 SER 1.641 0.191 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 7 VAL O 1 50 VAL N . . 2.700 2.740 2.688 2.836 0.136 8 0 "[ . 1 . 2]" 3
2 1 7 VAL O 1 50 VAL H . . 1.800 1.772 1.723 1.854 0.054 8 0 "[ . 1 . 2]" 3
3 1 8 THR N 1 82 GLY O . . 2.700 2.688 2.663 2.733 0.033 4 0 "[ . 1 . 2]" 3
4 1 8 THR H 1 8 THR HB . . 3.030 2.480 2.377 2.885 . 0 0 "[ . 1 . 2]" 3
5 1 8 THR H 1 9 ILE H . . 10.200 4.481 4.401 4.529 . 0 0 "[ . 1 . 2]" 3
6 1 8 THR H 1 50 VAL QG . . 8.290 6.018 5.868 6.159 . 0 0 "[ . 1 . 2]" 3
7 1 8 THR H 1 81 THR HA . . 10.200 5.098 4.992 5.260 . 0 0 "[ . 1 . 2]" 3
8 1 8 THR H 1 82 GLY H . . 3.690 3.731 3.602 3.823 0.133 18 0 "[ . 1 . 2]" 3
9 1 8 THR H 1 82 GLY O . . 1.800 1.728 1.691 1.789 . 0 0 "[ . 1 . 2]" 3
10 1 8 THR H 1 83 THR HA . . 3.220 2.461 2.368 2.570 . 0 0 "[ . 1 . 2]" 3
11 1 8 THR H 1 83 THR MG . . 5.800 3.631 3.499 3.876 . 0 0 "[ . 1 . 2]" 3
12 1 8 THR H 1 84 SER H . . 3.840 3.919 3.840 4.031 0.191 5 0 "[ . 1 . 2]" 3
13 1 8 THR HA 1 9 ILE H . . 2.600 2.194 2.164 2.205 . 0 0 "[ . 1 . 2]" 3
14 1 8 THR HA 1 9 ILE HB . . 4.030 4.165 4.136 4.198 0.168 7 0 "[ . 1 . 2]" 3
15 1 8 THR HA 1 9 ILE QG . . 6.580 4.523 4.161 4.837 . 0 0 "[ . 1 . 2]" 3
16 1 8 THR HA 1 9 ILE MD . . 6.670 3.813 3.260 4.377 . 0 0 "[ . 1 . 2]" 3
17 1 8 THR HB 1 83 THR HA . . 3.280 2.267 2.094 2.522 . 0 0 "[ . 1 . 2]" 3
18 1 8 THR HB 1 84 SER H . . 4.090 3.726 3.570 3.872 . 0 0 "[ . 1 . 2]" 3
19 1 8 THR MG 1 10 TYR QE . . 7.000 1.872 1.847 1.925 . 0 0 "[ . 1 . 2]" 3
20 1 8 THR MG 1 47 LYS HE2 . . 5.520 4.269 4.100 4.493 . 0 0 "[ . 1 . 2]" 3
21 1 8 THR MG 1 47 LYS HE3 . . 5.520 4.071 3.923 4.652 . 0 0 "[ . 1 . 2]" 3
22 1 8 THR MG 1 47 LYS QE . . 5.280 3.701 3.611 3.955 . 0 0 "[ . 1 . 2]" 3
23 1 8 THR MG 1 83 THR HA . . 5.460 3.607 3.445 4.193 . 0 0 "[ . 1 . 2]" 3
24 1 8 THR O 1 84 SER N . . 2.700 2.671 2.636 2.741 0.041 5 0 "[ . 1 . 2]" 3
25 1 8 THR O 1 84 SER H . . 1.800 1.742 1.717 1.789 . 0 0 "[ . 1 . 2]" 3
26 1 9 ILE N 1 48 ILE O . . 2.700 2.688 2.625 2.759 0.059 14 0 "[ . 1 . 2]" 3
stop_
save_
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