NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
579579 |
2mm2   |
19841 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mm2
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 729
_Distance_constraint_stats_list.Viol_count 1360
_Distance_constraint_stats_list.Viol_total 1095.221
_Distance_constraint_stats_list.Viol_max 0.435
_Distance_constraint_stats_list.Viol_rms 0.0174
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0403
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ASN 0.008 0.004 9 0 "[ . 1 . 2]"
1 2 CYS 0.158 0.032 3 0 "[ . 1 . 2]"
1 3 THR 0.430 0.040 5 0 "[ . 1 . 2]"
1 4 ALA 0.115 0.047 9 0 "[ . 1 . 2]"
1 5 ASN 2.200 0.094 9 0 "[ . 1 . 2]"
1 6 ILE 4.754 0.155 5 0 "[ . 1 . 2]"
1 7 LEU 2.009 0.099 18 0 "[ . 1 . 2]"
1 8 ASN 1.787 0.274 20 0 "[ . 1 . 2]"
1 9 ILE 2.610 0.274 20 0 "[ . 1 . 2]"
1 10 ASN 1.693 0.180 16 0 "[ . 1 . 2]"
1 11 GLU 2.829 0.099 18 0 "[ . 1 . 2]"
1 12 VAL 0.802 0.056 6 0 "[ . 1 . 2]"
1 13 VAL 1.226 0.089 9 0 "[ . 1 . 2]"
1 14 ILE 2.428 0.155 5 0 "[ . 1 . 2]"
1 15 ALA 1.503 0.202 11 0 "[ . 1 . 2]"
1 16 THR 2.512 0.111 12 0 "[ . 1 . 2]"
1 17 GLY 3.986 0.141 11 0 "[ . 1 . 2]"
1 18 CYS 0.010 0.010 13 0 "[ . 1 . 2]"
1 19 VAL 0.497 0.057 12 0 "[ . 1 . 2]"
1 20 PRO 0.026 0.011 12 0 "[ . 1 . 2]"
1 21 ALA 0.090 0.021 17 0 "[ . 1 . 2]"
1 22 GLY 0.006 0.006 20 0 "[ . 1 . 2]"
1 23 GLY 0.171 0.063 17 0 "[ . 1 . 2]"
1 24 ASN 1.143 0.075 9 0 "[ . 1 . 2]"
1 25 LEU 8.052 0.191 9 0 "[ . 1 . 2]"
1 26 ILE 4.587 0.091 9 0 "[ . 1 . 2]"
1 27 ILE 7.507 0.435 1 0 "[ . 1 . 2]"
1 28 ARG 0.883 0.066 17 0 "[ . 1 . 2]"
1 29 VAL 7.385 0.435 1 0 "[ . 1 . 2]"
1 30 GLY 1.456 0.123 20 0 "[ . 1 . 2]"
1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ASP 0.003 0.003 1 0 "[ . 1 . 2]"
1 33 HIS 1.038 0.114 2 0 "[ . 1 . 2]"
1 34 SER 1.301 0.114 2 0 "[ . 1 . 2]"
1 35 TYR 2.751 0.143 1 0 "[ . 1 . 2]"
1 36 LEU 2.853 0.238 10 0 "[ . 1 . 2]"
1 37 ILE 1.665 0.238 10 0 "[ . 1 . 2]"
1 38 ARG 1.966 0.183 8 0 "[ . 1 . 2]"
1 39 ALA 0.937 0.135 8 0 "[ . 1 . 2]"
1 40 THR 0.014 0.014 8 0 "[ . 1 . 2]"
1 41 VAL 1.985 0.109 2 0 "[ . 1 . 2]"
1 42 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 CYS 0.593 0.135 8 0 "[ . 1 . 2]"
1 44 GLY 1.996 0.242 13 0 "[ . 1 . 2]"
1 45 LEU 2.939 0.242 13 0 "[ . 1 . 2]"
1 46 SER 1.324 0.088 13 0 "[ . 1 . 2]"
1 47 LEU 0.603 0.039 8 0 "[ . 1 . 2]"
1 48 ASN 0.907 0.124 20 0 "[ . 1 . 2]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 0.697 0.065 3 0 "[ . 1 . 2]"
1 51 GLN 1.724 0.068 4 0 "[ . 1 . 2]"
1 52 SER 0.783 0.068 4 0 "[ . 1 . 2]"
1 53 PHE 0.647 0.039 15 0 "[ . 1 . 2]"
1 54 ILE 0.070 0.019 4 0 "[ . 1 . 2]"
1 55 ASN 0.168 0.131 12 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLU 1.328 0.131 12 0 "[ . 1 . 2]"
1 58 SER 1.063 0.079 5 0 "[ . 1 . 2]"
1 59 LEU 3.563 0.100 7 0 "[ . 1 . 2]"
1 60 ALA 1.435 0.085 12 0 "[ . 1 . 2]"
1 61 SER 0.256 0.040 20 0 "[ . 1 . 2]"
1 62 GLY 0.029 0.006 11 0 "[ . 1 . 2]"
1 63 GLY 0.023 0.019 9 0 "[ . 1 . 2]"
1 64 ARG 0.228 0.069 16 0 "[ . 1 . 2]"
1 65 CYS 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 2 CYS H 1 2 CYS HB3 . . 3.690 3.505 2.836 3.703 0.013 20 0 "[ . 1 . 2]" 1
2 1 3 THR HA 1 3 THR MG . . 3.290 2.360 1.968 2.416 . 0 0 "[ . 1 . 2]" 1
3 1 5 ASN H 1 5 ASN HB2 . . 3.640 2.536 2.477 2.595 . 0 0 "[ . 1 . 2]" 1
4 1 5 ASN H 1 5 ASN HB3 . . 3.640 3.693 3.648 3.734 0.094 9 0 "[ . 1 . 2]" 1
5 1 6 ILE HA 1 6 ILE MD . . 3.150 1.960 1.946 1.971 . 0 0 "[ . 1 . 2]" 1
6 1 6 ILE HA 1 6 ILE MG . . 3.460 2.532 2.513 2.558 . 0 0 "[ . 1 . 2]" 1
7 1 6 ILE MD 1 6 ILE MG . . 3.110 1.998 1.977 2.062 . 0 0 "[ . 1 . 2]" 1
8 1 7 LEU HA 1 7 LEU HG . . 4.200 3.006 2.983 3.045 . 0 0 "[ . 1 . 2]" 1
9 1 7 LEU HA 1 7 LEU MD2 . . 4.770 3.704 3.666 3.737 . 0 0 "[ . 1 . 2]" 1
10 1 7 LEU HA 1 7 LEU MD1 . . 4.770 3.731 3.716 3.747 . 0 0 "[ . 1 . 2]" 1
11 1 8 ASN H 1 8 ASN HB2 . . 4.080 3.540 2.998 3.699 . 0 0 "[ . 1 . 2]" 1
12 1 8 ASN H 1 8 ASN HB3 . . 4.080 3.084 2.801 3.602 . 0 0 "[ . 1 . 2]" 1
13 1 9 ILE HA 1 9 ILE MD . . 3.740 3.592 3.365 3.676 . 0 0 "[ . 1 . 2]" 1
14 1 9 ILE H 1 9 ILE MG . . 2.820 2.321 2.208 2.453 . 0 0 "[ . 1 . 2]" 1
15 1 9 ILE HA 1 9 ILE MG . . 3.460 3.191 3.180 3.199 . 0 0 "[ . 1 . 2]" 1
16 1 9 ILE HA 1 9 ILE HG12 . . 3.960 3.169 3.067 3.390 . 0 0 "[ . 1 . 2]" 1
17 1 9 ILE H 1 9 ILE HG13 . . 4.590 4.322 4.295 4.351 . 0 0 "[ . 1 . 2]" 1
18 1 9 ILE HA 1 9 ILE HG13 . . 3.960 2.252 2.194 2.295 . 0 0 "[ . 1 . 2]" 1
19 1 9 ILE H 1 9 ILE MD . . 4.820 4.301 4.219 4.337 . 0 0 "[ . 1 . 2]" 1
20 1 9 ILE HB 1 9 ILE MD . . 3.400 2.270 2.111 2.337 . 0 0 "[ . 1 . 2]" 1
21 1 11 GLU HA 1 11 GLU HG3 . . 3.770 3.483 3.176 3.768 . 0 0 "[ . 1 . 2]" 1
22 1 11 GLU H 1 11 GLU HB2 . . 3.650 3.663 3.649 3.672 0.022 1 0 "[ . 1 . 2]" 1
23 1 11 GLU HA 1 11 GLU HG2 . . 3.770 2.597 2.528 2.721 . 0 0 "[ . 1 . 2]" 1
24 1 12 VAL H 1 12 VAL HB . . 2.880 2.689 2.644 2.842 . 0 0 "[ . 1 . 2]" 1
25 1 12 VAL H 1 12 VAL MG1 . . 4.150 3.852 3.829 3.917 . 0 0 "[ . 1 . 2]" 1
26 1 12 VAL HA 1 12 VAL MG1 . . 3.160 2.323 2.218 2.371 . 0 0 "[ . 1 . 2]" 1
27 1 12 VAL H 1 12 VAL MG2 . . 4.150 2.298 2.207 2.432 . 0 0 "[ . 1 . 2]" 1
28 1 13 VAL HA 1 13 VAL MG2 . . 3.570 2.397 2.329 2.444 . 0 0 "[ . 1 . 2]" 1
29 1 13 VAL H 1 13 VAL HB . . 2.790 2.611 2.565 2.673 . 0 0 "[ . 1 . 2]" 1
30 1 13 VAL H 1 13 VAL MG1 . . 4.030 3.762 3.757 3.764 . 0 0 "[ . 1 . 2]" 1
31 1 13 VAL H 1 13 VAL MG2 . . 4.030 1.999 1.917 2.127 . 0 0 "[ . 1 . 2]" 1
32 1 14 ILE HA 1 14 ILE MG . . 3.200 2.110 2.022 2.159 . 0 0 "[ . 1 . 2]" 1
33 1 14 ILE HB 1 14 ILE MD . . 3.240 2.354 2.236 2.470 . 0 0 "[ . 1 . 2]" 1
34 1 14 ILE H 1 14 ILE MG . . 3.410 3.125 3.047 3.282 . 0 0 "[ . 1 . 2]" 1
35 1 14 ILE MD 1 14 ILE MG . . 3.030 2.107 1.954 2.251 . 0 0 "[ . 1 . 2]" 1
36 1 14 ILE HG12 1 14 ILE MG . . 3.710 2.298 2.210 2.364 . 0 0 "[ . 1 . 2]" 1
37 1 14 ILE HG13 1 14 ILE MG . . 3.710 3.193 3.179 3.202 . 0 0 "[ . 1 . 2]" 1
38 1 14 ILE H 1 14 ILE MD . . 3.890 3.686 3.653 3.735 . 0 0 "[ . 1 . 2]" 1
39 1 14 ILE HA 1 14 ILE MD . . 4.250 4.161 4.150 4.171 . 0 0 "[ . 1 . 2]" 1
40 1 15 ALA H 1 15 ALA MB . . 3.370 2.591 2.517 2.652 . 0 0 "[ . 1 . 2]" 1
41 1 16 THR HA 1 16 THR MG . . 3.600 2.522 2.473 2.562 . 0 0 "[ . 1 . 2]" 1
42 1 16 THR H 1 16 THR HB . . 4.160 3.977 3.907 3.992 . 0 0 "[ . 1 . 2]" 1
43 1 16 THR H 1 16 THR MG . . 3.060 2.782 2.606 2.876 . 0 0 "[ . 1 . 2]" 1
44 1 18 CYS H 1 18 CYS HB2 . . 3.720 2.839 2.437 3.226 . 0 0 "[ . 1 . 2]" 1
45 1 18 CYS H 1 18 CYS HB3 . . 3.720 3.085 2.641 3.730 0.010 13 0 "[ . 1 . 2]" 1
46 1 19 VAL HA 1 19 VAL MG2 . . 3.540 2.440 2.287 2.620 . 0 0 "[ . 1 . 2]" 1
47 1 19 VAL H 1 19 VAL MG2 . . 4.200 2.444 2.026 2.696 . 0 0 "[ . 1 . 2]" 1
48 1 25 LEU HA 1 25 LEU MD1 . . 3.090 3.137 3.081 3.154 0.064 12 0 "[ . 1 . 2]" 1
49 1 25 LEU H 1 25 LEU HB3 . . 3.720 2.819 2.790 2.852 . 0 0 "[ . 1 . 2]" 1
50 1 25 LEU HB3 1 25 LEU MD2 . . 3.590 1.946 1.886 1.955 . 0 0 "[ . 1 . 2]" 1
51 1 25 LEU HA 1 25 LEU HG . . 3.750 2.596 2.578 2.609 . 0 0 "[ . 1 . 2]" 1
52 1 25 LEU H 1 25 LEU MD1 . . 5.500 4.767 4.703 4.802 . 0 0 "[ . 1 . 2]" 1
53 1 25 LEU H 1 25 LEU MD2 . . 4.050 4.135 4.118 4.241 0.191 9 0 "[ . 1 . 2]" 1
54 1 25 LEU HB2 1 25 LEU MD2 . . 3.590 2.980 2.921 2.990 . 0 0 "[ . 1 . 2]" 1
55 1 26 ILE H 1 26 ILE HB . . 2.930 2.575 2.489 2.656 . 0 0 "[ . 1 . 2]" 1
56 1 26 ILE H 1 26 ILE MG . . 4.660 3.804 3.779 3.820 . 0 0 "[ . 1 . 2]" 1
57 1 26 ILE HG12 1 26 ILE MG . . 3.690 2.264 2.123 2.405 . 0 0 "[ . 1 . 2]" 1
58 1 26 ILE HG13 1 26 ILE MG . . 3.690 3.048 2.656 3.203 . 0 0 "[ . 1 . 2]" 1
59 1 26 ILE HB 1 26 ILE MD . . 3.570 2.288 2.007 2.423 . 0 0 "[ . 1 . 2]" 1
60 1 26 ILE MD 1 26 ILE MG . . 3.250 2.349 1.916 3.157 . 0 0 "[ . 1 . 2]" 1
61 1 27 ILE HA 1 27 ILE MG . . 3.650 2.490 2.326 2.534 . 0 0 "[ . 1 . 2]" 1
62 1 27 ILE HA 1 27 ILE HG13 . . 3.940 2.257 2.145 3.666 . 0 0 "[ . 1 . 2]" 1
63 1 27 ILE H 1 27 ILE HB . . 3.610 2.458 2.366 2.668 . 0 0 "[ . 1 . 2]" 1
64 1 27 ILE HA 1 27 ILE HG12 . . 3.940 3.396 3.262 3.550 . 0 0 "[ . 1 . 2]" 1
65 1 27 ILE HG12 1 27 ILE MG . . 3.230 2.134 1.971 3.171 . 0 0 "[ . 1 . 2]" 1
66 1 27 ILE HG13 1 27 ILE MG . . 3.230 2.725 2.233 2.887 . 0 0 "[ . 1 . 2]" 1
67 1 27 ILE H 1 27 ILE MD . . 4.840 2.639 2.175 3.072 . 0 0 "[ . 1 . 2]" 1
68 1 27 ILE HA 1 27 ILE MD . . 3.860 3.159 2.000 3.450 . 0 0 "[ . 1 . 2]" 1
69 1 27 ILE HG12 1 28 ARG H . . 5.500 5.110 4.903 5.325 . 0 0 "[ . 1 . 2]" 1
70 1 29 VAL HA 1 29 VAL MG1 . . 3.410 2.410 2.117 3.202 . 0 0 "[ . 1 . 2]" 1
71 1 29 VAL H 1 29 VAL MG1 . . 3.970 3.534 1.909 3.855 . 0 0 "[ . 1 . 2]" 1
72 1 29 VAL H 1 29 VAL MG2 . . 3.970 2.627 2.141 3.856 . 0 0 "[ . 1 . 2]" 1
73 1 29 VAL HA 1 29 VAL MG2 . . 3.410 2.398 2.244 2.496 . 0 0 "[ . 1 . 2]" 1
74 1 32 ASP H 1 32 ASP HB2 . . 3.890 2.736 2.245 3.769 . 0 0 "[ . 1 . 2]" 1
75 1 32 ASP H 1 32 ASP HB3 . . 3.890 3.276 2.491 3.893 0.003 1 0 "[ . 1 . 2]" 1
76 1 29 VAL H 1 34 SER HA . . 3.760 2.249 1.999 2.381 . 0 0 "[ . 1 . 2]" 1
77 1 29 VAL H 1 34 SER HB2 . . 4.910 4.842 4.462 4.996 0.086 12 0 "[ . 1 . 2]" 1
78 1 29 VAL H 1 34 SER HB3 . . 4.910 3.617 3.241 3.820 . 0 0 "[ . 1 . 2]" 1
79 1 35 TYR HA 1 35 TYR QD . . 3.220 2.620 2.407 2.832 . 0 0 "[ . 1 . 2]" 1
80 1 35 TYR H 1 35 TYR HB3 . . 3.780 3.765 3.653 3.829 0.049 2 0 "[ . 1 . 2]" 1
81 1 36 LEU H 1 36 LEU HB3 . . 3.350 2.525 2.373 2.911 . 0 0 "[ . 1 . 2]" 1
82 1 36 LEU H 1 36 LEU HG . . 5.130 4.494 4.369 4.663 . 0 0 "[ . 1 . 2]" 1
83 1 37 ILE HA 1 37 ILE MG . . 3.690 2.298 2.225 2.365 . 0 0 "[ . 1 . 2]" 1
84 1 37 ILE HB 1 37 ILE MD . . 3.590 3.216 3.214 3.219 . 0 0 "[ . 1 . 2]" 1
85 1 37 ILE HG12 1 37 ILE MG . . 3.450 3.195 3.180 3.200 . 0 0 "[ . 1 . 2]" 1
86 1 37 ILE MD 1 37 ILE MG . . 3.010 2.022 1.933 2.152 . 0 0 "[ . 1 . 2]" 1
87 1 37 ILE H 1 37 ILE HG12 . . 3.320 2.579 2.418 2.814 . 0 0 "[ . 1 . 2]" 1
88 1 37 ILE HG13 1 37 ILE MG . . 3.240 2.300 2.244 2.384 . 0 0 "[ . 1 . 2]" 1
89 1 37 ILE HA 1 37 ILE MD . . 3.360 2.034 1.954 2.119 . 0 0 "[ . 1 . 2]" 1
90 1 38 ARG H 1 38 ARG HB2 . . 3.860 3.581 2.480 3.894 0.034 14 0 "[ . 1 . 2]" 1
91 1 38 ARG H 1 38 ARG HG2 . . 3.860 2.714 2.288 4.043 0.183 8 0 "[ . 1 . 2]" 1
92 1 41 VAL H 1 41 VAL HB . . 3.360 2.551 2.355 2.686 . 0 0 "[ . 1 . 2]" 1
93 1 41 VAL H 1 41 VAL MG2 . . 3.650 2.815 2.001 3.742 0.092 16 0 "[ . 1 . 2]" 1
94 1 45 LEU H 1 45 LEU HG . . 4.360 2.831 2.103 4.282 . 0 0 "[ . 1 . 2]" 1
95 1 45 LEU HA 1 45 LEU MD1 . . 3.870 3.281 1.961 3.827 . 0 0 "[ . 1 . 2]" 1
96 1 45 LEU HA 1 45 LEU MD2 . . 3.870 2.198 1.937 3.783 . 0 0 "[ . 1 . 2]" 1
97 1 47 LEU H 1 47 LEU HB2 . . 3.020 2.879 2.732 3.020 . 0 0 "[ . 1 . 2]" 1
98 1 47 LEU H 1 47 LEU HB3 . . 3.020 2.507 2.404 2.600 . 0 0 "[ . 1 . 2]" 1
99 1 47 LEU H 1 47 LEU HG . . 4.650 4.452 4.405 4.500 . 0 0 "[ . 1 . 2]" 1
100 1 47 LEU HA 1 47 LEU HG . . 4.200 2.769 2.681 2.826 . 0 0 "[ . 1 . 2]" 1
101 1 47 LEU H 1 47 LEU MD1 . . 4.730 4.380 4.270 4.461 . 0 0 "[ . 1 . 2]" 1
102 1 47 LEU HA 1 47 LEU MD1 . . 4.230 2.748 2.634 2.853 . 0 0 "[ . 1 . 2]" 1
103 1 47 LEU HA 1 47 LEU MD2 . . 4.230 3.915 3.879 3.940 . 0 0 "[ . 1 . 2]" 1
104 1 51 GLN H 1 51 GLN HG2 . . 4.180 3.925 3.592 4.214 0.034 5 0 "[ . 1 . 2]" 1
105 1 53 PHE HA 1 53 PHE QD . . 3.960 2.734 2.372 3.004 . 0 0 "[ . 1 . 2]" 1
106 1 53 PHE H 1 53 PHE HB3 . . 3.630 3.584 3.552 3.590 . 0 0 "[ . 1 . 2]" 1
107 1 53 PHE H 1 53 PHE QD . . 3.410 2.455 2.103 2.890 . 0 0 "[ . 1 . 2]" 1
108 1 54 ILE HA 1 54 ILE MG . . 3.710 2.263 2.106 2.326 . 0 0 "[ . 1 . 2]" 1
109 1 54 ILE MD 1 54 ILE MG . . 3.410 2.151 1.954 2.522 . 0 0 "[ . 1 . 2]" 1
110 1 54 ILE HB 1 54 ILE MD . . 3.580 2.288 2.063 2.461 . 0 0 "[ . 1 . 2]" 1
111 1 55 ASN H 1 55 ASN HA . . 2.910 2.274 2.273 2.275 . 0 0 "[ . 1 . 2]" 1
112 1 57 GLU HA 1 57 GLU HG2 . . 4.210 2.551 2.389 2.844 . 0 0 "[ . 1 . 2]" 1
113 1 57 GLU H 1 57 GLU HG2 . . 4.300 2.343 2.019 2.662 . 0 0 "[ . 1 . 2]" 1
114 1 57 GLU H 1 57 GLU HG3 . . 4.300 3.105 2.819 3.576 . 0 0 "[ . 1 . 2]" 1
115 1 57 GLU HA 1 57 GLU HG3 . . 4.210 3.714 3.637 3.800 . 0 0 "[ . 1 . 2]" 1
116 1 59 LEU HA 1 59 LEU MD1 . . 3.960 3.775 3.772 3.777 . 0 0 "[ . 1 . 2]" 1
117 1 59 LEU HA 1 59 LEU MD2 . . 3.470 2.016 1.954 2.146 . 0 0 "[ . 1 . 2]" 1
118 1 59 LEU H 1 59 LEU HB2 . . 2.920 2.352 2.345 2.356 . 0 0 "[ . 1 . 2]" 1
119 1 59 LEU HB2 1 59 LEU MD2 . . 3.600 3.189 3.181 3.194 . 0 0 "[ . 1 . 2]" 1
120 1 59 LEU HB3 1 59 LEU MD1 . . 3.520 2.241 2.212 2.312 . 0 0 "[ . 1 . 2]" 1
121 1 59 LEU HA 1 59 LEU HG . . 3.860 2.694 2.678 2.711 . 0 0 "[ . 1 . 2]" 1
122 1 59 LEU HB2 1 59 LEU MD1 . . 3.530 2.395 2.309 2.435 . 0 0 "[ . 1 . 2]" 1
123 1 59 LEU H 1 59 LEU MD2 . . 4.460 4.256 4.241 4.269 . 0 0 "[ . 1 . 2]" 1
124 1 59 LEU HB3 1 59 LEU MD2 . . 3.590 2.358 2.335 2.379 . 0 0 "[ . 1 . 2]" 1
125 1 60 ALA H 1 60 ALA MB . . 3.360 2.684 2.652 2.706 . 0 0 "[ . 1 . 2]" 1
126 1 61 SER H 1 61 SER HB2 . . 3.090 2.515 2.186 2.917 . 0 0 "[ . 1 . 2]" 1
127 1 61 SER H 1 61 SER HB3 . . 3.090 2.692 2.260 3.055 . 0 0 "[ . 1 . 2]" 1
128 1 64 ARG HA 1 64 ARG HD2 . . 4.240 3.554 2.648 4.176 . 0 0 "[ . 1 . 2]" 1
129 1 64 ARG HA 1 64 ARG HD3 . . 4.240 3.105 2.209 4.181 . 0 0 "[ . 1 . 2]" 1
130 1 64 ARG H 1 64 ARG HB3 . . 3.910 3.385 2.273 3.979 0.069 16 0 "[ . 1 . 2]" 1
131 1 64 ARG H 1 64 ARG HD2 . . 5.500 4.585 1.989 5.467 . 0 0 "[ . 1 . 2]" 1
132 1 64 ARG H 1 64 ARG HD3 . . 5.500 4.586 2.095 5.342 . 0 0 "[ . 1 . 2]" 1
133 1 1 ASN HB2 1 2 CYS H . . 3.710 3.603 3.370 3.714 0.004 9 0 "[ . 1 . 2]" 1
134 1 3 THR HA 1 4 ALA H . . 2.770 2.182 2.142 2.213 . 0 0 "[ . 1 . 2]" 1
135 1 3 THR MG 1 4 ALA H . . 3.690 2.483 2.122 3.082 . 0 0 "[ . 1 . 2]" 1
136 1 4 ALA MB 1 5 ASN H . . 3.430 2.948 2.737 3.102 . 0 0 "[ . 1 . 2]" 1
137 1 5 ASN HB3 1 6 ILE H . . 4.320 3.405 3.217 3.500 . 0 0 "[ . 1 . 2]" 1
138 1 6 ILE HA 1 7 LEU H . . 2.600 2.155 2.147 2.165 . 0 0 "[ . 1 . 2]" 1
139 1 6 ILE MD 1 7 LEU H . . 3.710 3.172 3.002 3.237 . 0 0 "[ . 1 . 2]" 1
140 1 7 LEU HA 1 8 ASN H . . 2.700 2.454 2.415 2.492 . 0 0 "[ . 1 . 2]" 1
141 1 7 LEU HB3 1 8 ASN H . . 4.120 2.681 2.602 2.752 . 0 0 "[ . 1 . 2]" 1
142 1 7 LEU HG 1 8 ASN H . . 4.950 4.807 4.768 4.842 . 0 0 "[ . 1 . 2]" 1
143 1 8 ASN HB2 1 9 ILE H . . 3.330 1.956 1.835 2.417 . 0 0 "[ . 1 . 2]" 1
144 1 8 ASN HB3 1 9 ILE H . . 3.330 3.248 2.426 3.502 0.172 18 0 "[ . 1 . 2]" 1
145 1 9 ILE HB 1 10 ASN H . . 4.320 4.066 3.991 4.136 . 0 0 "[ . 1 . 2]" 1
146 1 9 ILE MG 1 10 ASN H . . 3.170 2.400 2.107 2.623 . 0 0 "[ . 1 . 2]" 1
147 1 10 ASN HB2 1 11 GLU H . . 4.390 4.209 3.775 4.403 0.013 15 0 "[ . 1 . 2]" 1
148 1 12 VAL HB 1 13 VAL H . . 4.080 4.117 4.042 4.136 0.056 6 0 "[ . 1 . 2]" 1
149 1 13 VAL HA 1 14 ILE H . . 2.690 2.141 2.140 2.141 . 0 0 "[ . 1 . 2]" 1
150 1 13 VAL HB 1 14 ILE H . . 4.780 4.267 4.237 4.291 . 0 0 "[ . 1 . 2]" 1
151 1 13 VAL MG1 1 14 ILE H . . 4.440 2.702 2.613 2.876 . 0 0 "[ . 1 . 2]" 1
152 1 13 VAL MG2 1 14 ILE H . . 4.440 4.132 4.076 4.188 . 0 0 "[ . 1 . 2]" 1
153 1 14 ILE HG12 1 15 ALA H . . 3.980 3.190 3.006 3.525 . 0 0 "[ . 1 . 2]" 1
154 1 14 ILE MD 1 15 ALA H . . 5.280 4.106 3.856 4.233 . 0 0 "[ . 1 . 2]" 1
155 1 16 THR HB 1 17 GLY H . . 4.040 3.315 3.176 3.384 . 0 0 "[ . 1 . 2]" 1
156 1 16 THR MG 1 17 GLY H . . 4.810 4.206 4.145 4.263 . 0 0 "[ . 1 . 2]" 1
157 1 18 CYS HA 1 19 VAL H . . 3.030 2.140 2.138 2.146 . 0 0 "[ . 1 . 2]" 1
158 1 21 ALA HA 1 22 GLY H . . 2.790 2.152 2.149 2.156 . 0 0 "[ . 1 . 2]" 1
159 1 21 ALA MB 1 22 GLY H . . 3.820 3.147 3.099 3.200 . 0 0 "[ . 1 . 2]" 1
160 1 24 ASN HA 1 25 LEU H . . 2.740 2.310 2.251 2.374 . 0 0 "[ . 1 . 2]" 1
161 1 24 ASN HB2 1 25 LEU H . . 3.920 2.706 2.584 2.846 . 0 0 "[ . 1 . 2]" 1
162 1 24 ASN HB3 1 25 LEU H . . 3.920 3.959 3.932 3.995 0.075 9 0 "[ . 1 . 2]" 1
163 1 25 LEU HG 1 26 ILE H . . 3.360 1.956 1.914 1.981 . 0 0 "[ . 1 . 2]" 1
164 1 25 LEU MD2 1 26 ILE H . . 3.260 3.293 3.229 3.351 0.091 9 0 "[ . 1 . 2]" 1
165 1 26 ILE HA 1 27 ILE H . . 2.640 2.153 2.140 2.165 . 0 0 "[ . 1 . 2]" 1
166 1 26 ILE HB 1 27 ILE H . . 4.290 4.131 4.026 4.279 . 0 0 "[ . 1 . 2]" 1
167 1 26 ILE MG 1 27 ILE H . . 2.930 2.655 2.542 2.934 0.004 6 0 "[ . 1 . 2]" 1
168 1 27 ILE MG 1 28 ARG H . . 3.560 2.838 2.684 2.982 . 0 0 "[ . 1 . 2]" 1
169 1 27 ILE HG13 1 28 ARG H . . 5.500 4.227 4.044 5.407 . 0 0 "[ . 1 . 2]" 1
170 1 28 ARG HA 1 29 VAL H . . 2.680 2.150 2.144 2.166 . 0 0 "[ . 1 . 2]" 1
171 1 29 VAL HA 1 30 GLY H . . 3.520 2.327 2.146 3.464 . 0 0 "[ . 1 . 2]" 1
172 1 33 HIS HB2 1 34 SER H . . 3.560 3.386 1.922 3.674 0.114 2 0 "[ . 1 . 2]" 1
173 1 34 SER HA 1 35 TYR H . . 2.920 2.220 2.206 2.261 . 0 0 "[ . 1 . 2]" 1
174 1 34 SER HB2 1 35 TYR H . . 3.560 3.331 2.928 3.554 . 0 0 "[ . 1 . 2]" 1
175 1 35 TYR HA 1 36 LEU H . . 2.700 2.177 2.156 2.321 . 0 0 "[ . 1 . 2]" 1
176 1 35 TYR HB2 1 36 LEU H . . 4.140 4.138 3.882 4.242 0.102 12 0 "[ . 1 . 2]" 1
177 1 36 LEU HB2 1 37 ILE H . . 4.400 4.350 4.164 4.470 0.070 20 0 "[ . 1 . 2]" 1
178 1 36 LEU HB3 1 37 ILE H . . 4.400 4.233 3.821 4.397 . 0 0 "[ . 1 . 2]" 1
179 1 36 LEU HG 1 37 ILE H . . 4.250 3.968 3.564 4.488 0.238 10 0 "[ . 1 . 2]" 1
180 1 37 ILE HA 1 38 ARG H . . 2.760 2.172 2.147 2.219 . 0 0 "[ . 1 . 2]" 1
181 1 37 ILE HB 1 38 ARG H . . 4.510 4.018 3.882 4.119 . 0 0 "[ . 1 . 2]" 1
182 1 37 ILE MD 1 38 ARG H . . 3.670 3.614 3.496 3.685 0.015 12 0 "[ . 1 . 2]" 1
183 1 40 THR HB 1 41 VAL H . . 2.850 2.069 1.945 2.383 . 0 0 "[ . 1 . 2]" 1
184 1 40 THR MG 1 41 VAL H . . 3.810 3.544 3.096 3.824 0.014 8 0 "[ . 1 . 2]" 1
185 1 44 GLY HA2 1 45 LEU H . . 3.220 2.174 2.138 2.530 . 0 0 "[ . 1 . 2]" 1
186 1 45 LEU HB2 1 46 SER H . . 4.470 4.073 3.667 4.419 . 0 0 "[ . 1 . 2]" 1
187 1 46 SER HA 1 47 LEU H . . 2.900 2.263 2.221 2.420 . 0 0 "[ . 1 . 2]" 1
188 1 46 SER HB2 1 47 LEU H . . 3.560 3.154 2.621 3.570 0.010 3 0 "[ . 1 . 2]" 1
189 1 47 LEU HA 1 48 ASN H . . 2.950 2.196 2.190 2.205 . 0 0 "[ . 1 . 2]" 1
190 1 47 LEU HB2 1 48 ASN H . . 4.130 4.099 4.047 4.156 0.026 12 0 "[ . 1 . 2]" 1
191 1 47 LEU HG 1 48 ASN H . . 3.760 2.383 2.288 2.425 . 0 0 "[ . 1 . 2]" 1
192 1 51 GLN HB2 1 52 SER H . . 3.460 3.461 3.288 3.493 0.033 10 0 "[ . 1 . 2]" 1
193 1 52 SER HA 1 53 PHE H . . 2.780 2.224 2.206 2.242 . 0 0 "[ . 1 . 2]" 1
194 1 52 SER HB2 1 53 PHE H . . 3.520 3.267 3.204 3.325 . 0 0 "[ . 1 . 2]" 1
195 1 52 SER HB3 1 53 PHE H . . 3.520 3.392 3.346 3.438 . 0 0 "[ . 1 . 2]" 1
196 1 53 PHE QD 1 54 ILE H . . 3.930 3.844 3.726 3.938 0.008 15 0 "[ . 1 . 2]" 1
197 1 54 ILE HA 1 55 ASN H . . 3.060 2.462 2.407 2.514 . 0 0 "[ . 1 . 2]" 1
198 1 54 ILE MG 1 55 ASN H . . 3.460 3.451 3.411 3.479 0.019 4 0 "[ . 1 . 2]" 1
199 1 54 ILE MD 1 55 ASN H . . 4.630 4.055 3.568 4.330 . 0 0 "[ . 1 . 2]" 1
200 1 57 GLU HB2 1 58 SER H . . 3.470 3.523 3.469 3.549 0.079 5 0 "[ . 1 . 2]" 1
201 1 58 SER HA 1 59 LEU H . . 2.920 2.459 2.420 2.476 . 0 0 "[ . 1 . 2]" 1
202 1 58 SER HB3 1 59 LEU H . . 3.360 3.130 2.411 3.319 . 0 0 "[ . 1 . 2]" 1
203 1 59 LEU MD1 1 60 ALA H . . 4.190 4.249 4.209 4.275 0.085 12 0 "[ . 1 . 2]" 1
204 1 59 LEU MD2 1 60 ALA H . . 3.260 2.134 1.911 2.246 . 0 0 "[ . 1 . 2]" 1
205 1 61 SER HB3 1 62 GLY H . . 4.340 3.716 3.202 4.082 . 0 0 "[ . 1 . 2]" 1
206 1 63 GLY HA2 1 64 ARG H . . 3.520 3.133 2.295 3.509 . 0 0 "[ . 1 . 2]" 1
207 1 64 ARG HA 1 65 CYS H . . 2.790 2.387 2.150 2.586 . 0 0 "[ . 1 . 2]" 1
208 1 64 ARG HG3 1 65 CYS H . . 4.810 4.370 3.569 4.788 . 0 0 "[ . 1 . 2]" 1
209 1 4 ALA MB 1 17 GLY H . . 3.780 3.102 2.868 3.261 . 0 0 "[ . 1 . 2]" 1
210 1 4 ALA MB 1 5 ASN HA . . 5.500 4.039 3.966 4.145 . 0 0 "[ . 1 . 2]" 1
211 1 5 ASN HB3 1 13 VAL MG1 . . 4.210 2.739 2.627 2.822 . 0 0 "[ . 1 . 2]" 1
212 1 7 LEU HA 1 14 ILE MD . . 3.770 3.477 3.219 3.773 0.003 11 0 "[ . 1 . 2]" 1
213 1 6 ILE MG 1 58 SER H . . 3.770 3.131 2.927 3.496 . 0 0 "[ . 1 . 2]" 1
214 1 6 ILE HA 1 58 SER H . . 4.800 4.366 4.210 4.643 . 0 0 "[ . 1 . 2]" 1
215 1 7 LEU MD1 1 11 GLU HA . . 4.000 3.387 3.337 3.511 . 0 0 "[ . 1 . 2]" 1
216 1 9 ILE MG 1 10 ASN HB3 . . 4.270 4.175 4.004 4.450 0.180 16 0 "[ . 1 . 2]" 1
217 1 9 ILE MG 1 10 ASN HB2 . . 4.270 3.055 2.935 3.438 . 0 0 "[ . 1 . 2]" 1
218 1 7 LEU HB2 1 11 GLU HA . . 3.910 2.487 2.373 2.576 . 0 0 "[ . 1 . 2]" 1
219 1 7 LEU HB3 1 11 GLU HA . . 3.910 3.122 3.065 3.196 . 0 0 "[ . 1 . 2]" 1
220 1 8 ASN HA 1 14 ILE MD . . 4.960 2.909 2.520 3.405 . 0 0 "[ . 1 . 2]" 1
221 1 6 ILE HB 1 15 ALA MB . . 3.370 1.998 1.928 2.139 . 0 0 "[ . 1 . 2]" 1
222 1 15 ALA MB 1 29 VAL HA . . 3.460 1.990 1.910 2.169 . 0 0 "[ . 1 . 2]" 1
223 1 8 ASN H 1 14 ILE MG . . 3.340 3.279 3.063 3.354 0.014 20 0 "[ . 1 . 2]" 1
224 1 15 ALA MB 1 29 VAL H . . 4.000 3.945 3.809 4.056 0.056 9 0 "[ . 1 . 2]" 1
225 1 16 THR HA 1 27 ILE MG . . 4.430 3.569 3.325 3.817 . 0 0 "[ . 1 . 2]" 1
226 1 17 GLY HA3 1 25 LEU MD2 . . 3.750 3.046 2.843 3.683 . 0 0 "[ . 1 . 2]" 1
227 1 20 PRO HD3 1 25 LEU HB3 . . 5.500 3.687 3.156 4.100 . 0 0 "[ . 1 . 2]" 1
228 1 24 ASN HA 1 38 ARG HA . . 3.270 2.014 1.953 2.270 . 0 0 "[ . 1 . 2]" 1
229 1 24 ASN HB3 1 38 ARG HA . . 4.740 3.165 2.431 3.729 . 0 0 "[ . 1 . 2]" 1
230 1 24 ASN HB3 1 38 ARG HG3 . . 4.910 3.903 3.267 4.293 . 0 0 "[ . 1 . 2]" 1
231 1 20 PRO HD2 1 25 LEU HB3 . . 5.500 3.398 3.202 3.593 . 0 0 "[ . 1 . 2]" 1
232 1 20 PRO HD2 1 25 LEU HB2 . . 5.500 2.877 2.529 3.190 . 0 0 "[ . 1 . 2]" 1
233 1 18 CYS H 1 25 LEU MD2 . . 3.850 2.146 1.910 2.504 . 0 0 "[ . 1 . 2]" 1
234 1 19 VAL HA 1 25 LEU MD2 . . 4.560 3.730 3.464 4.022 . 0 0 "[ . 1 . 2]" 1
235 1 26 ILE MG 1 34 SER HB3 . . 3.510 2.891 2.347 3.540 0.030 1 0 "[ . 1 . 2]" 1
236 1 26 ILE MG 1 34 SER HB2 . . 3.510 2.560 1.984 2.948 . 0 0 "[ . 1 . 2]" 1
237 1 15 ALA MB 1 27 ILE MG . . 3.160 2.214 1.983 2.721 . 0 0 "[ . 1 . 2]" 1
238 1 17 GLY HA2 1 27 ILE HG13 . . 4.880 3.656 3.398 3.900 . 0 0 "[ . 1 . 2]" 1
239 1 17 GLY HA2 1 27 ILE MD . . 4.230 4.242 2.538 4.371 0.141 11 0 "[ . 1 . 2]" 1
240 1 27 ILE MD 1 37 ILE HG13 . . 4.360 2.397 1.949 4.085 . 0 0 "[ . 1 . 2]" 1
241 1 26 ILE MG 1 28 ARG HA . . 4.920 3.924 3.744 4.009 . 0 0 "[ . 1 . 2]" 1
242 1 18 CYS H 1 27 ILE MD . . 4.000 3.480 2.136 3.911 . 0 0 "[ . 1 . 2]" 1
243 1 29 VAL HB 1 35 TYR H . . 5.070 5.062 4.716 5.213 0.143 1 0 "[ . 1 . 2]" 1
244 1 16 THR H 1 29 VAL HA . . 5.100 5.123 4.864 5.208 0.108 8 0 "[ . 1 . 2]" 1
245 1 15 ALA MB 1 29 VAL MG1 . . 3.050 2.191 1.800 3.252 0.202 11 0 "[ . 1 . 2]" 1
246 1 28 ARG HA 1 34 SER HB2 . . 4.060 3.532 3.082 3.980 . 0 0 "[ . 1 . 2]" 1
247 1 35 TYR HB2 1 37 ILE MD . . 3.530 3.159 2.939 3.410 . 0 0 "[ . 1 . 2]" 1
248 1 28 ARG HA 1 34 SER HB3 . . 4.060 2.004 1.930 2.317 . 0 0 "[ . 1 . 2]" 1
249 1 36 LEU HB2 1 48 ASN HB2 . . 4.760 3.642 3.020 3.876 . 0 0 "[ . 1 . 2]" 1
250 1 35 TYR HB3 1 37 ILE MD . . 3.530 2.676 2.255 2.995 . 0 0 "[ . 1 . 2]" 1
251 1 37 ILE MD 1 47 LEU HA . . 3.800 2.749 2.467 2.948 . 0 0 "[ . 1 . 2]" 1
252 1 47 LEU MD2 1 51 GLN HB2 . . 6.020 3.399 2.984 3.724 . 0 0 "[ . 1 . 2]" 1
253 1 47 LEU MD1 1 52 SER H . . 5.500 4.453 4.169 4.821 . 0 0 "[ . 1 . 2]" 1
254 1 35 TYR QD 1 47 LEU MD1 . . 4.070 2.789 2.238 3.126 . 0 0 "[ . 1 . 2]" 1
255 1 35 TYR QE 1 47 LEU MD1 . . 5.220 4.178 3.608 4.558 . 0 0 "[ . 1 . 2]" 1
256 1 47 LEU MD2 1 52 SER H . . 5.500 3.602 3.454 3.796 . 0 0 "[ . 1 . 2]" 1
257 1 35 TYR QD 1 47 LEU MD2 . . 4.070 4.021 3.406 4.085 0.015 10 0 "[ . 1 . 2]" 1
258 1 36 LEU HB3 1 48 ASN HB2 . . 4.760 2.078 1.955 2.265 . 0 0 "[ . 1 . 2]" 1
259 1 48 ASN HA 1 49 PRO HD2 . . 3.110 2.326 2.192 2.341 . 0 0 "[ . 1 . 2]" 1
260 1 47 LEU MD1 1 51 GLN HB2 . . 6.020 3.410 3.061 3.624 . 0 0 "[ . 1 . 2]" 1
261 1 54 ILE HB 1 55 ASN HA . . 4.760 4.168 4.082 4.235 . 0 0 "[ . 1 . 2]" 1
262 1 9 ILE MD 1 56 GLY HA3 . . 4.440 2.318 2.078 2.465 . 0 0 "[ . 1 . 2]" 1
263 1 9 ILE MD 1 56 GLY HA2 . . 4.440 3.298 2.866 3.599 . 0 0 "[ . 1 . 2]" 1
264 1 6 ILE MG 1 57 GLU HG2 . . 4.950 4.681 4.521 4.961 0.011 19 0 "[ . 1 . 2]" 1
265 1 14 ILE MD 1 57 GLU HG3 . . 4.630 4.265 3.950 4.544 . 0 0 "[ . 1 . 2]" 1
266 1 53 PHE QD 1 58 SER HA . . 4.970 3.130 2.604 3.617 . 0 0 "[ . 1 . 2]" 1
267 1 3 THR MG 1 62 GLY H . . 3.720 3.591 3.189 3.726 0.006 11 0 "[ . 1 . 2]" 1
268 1 3 THR HB 1 63 GLY H . . 4.050 2.271 1.935 3.834 . 0 0 "[ . 1 . 2]" 1
269 1 7 LEU HA 1 13 VAL HA . . 3.230 2.440 2.207 2.917 . 0 0 "[ . 1 . 2]" 1
270 1 4 ALA MB 1 59 LEU MD2 . . 3.810 2.621 2.321 2.965 . 0 0 "[ . 1 . 2]" 1
271 1 28 ARG HA 1 34 SER HA . . 3.580 2.203 1.977 2.376 . 0 0 "[ . 1 . 2]" 1
272 1 24 ASN HA 1 39 ALA H . . 3.820 3.242 2.928 3.477 . 0 0 "[ . 1 . 2]" 1
273 1 24 ASN HB2 1 38 ARG HA . . 4.740 3.061 2.318 3.687 . 0 0 "[ . 1 . 2]" 1
274 1 15 ALA MB 1 29 VAL MG2 . . 3.050 1.851 1.793 1.926 . 0 0 "[ . 1 . 2]" 1
275 1 8 ASN HB3 1 14 ILE MG . . 4.620 3.036 2.577 4.279 . 0 0 "[ . 1 . 2]" 1
276 1 8 ASN HB2 1 14 ILE MG . . 4.620 4.191 3.994 4.477 . 0 0 "[ . 1 . 2]" 1
277 1 8 ASN HD21 1 14 ILE MG . . 3.520 2.494 1.838 3.276 . 0 0 "[ . 1 . 2]" 1
278 1 8 ASN HD22 1 12 VAL MG1 . . 5.010 3.249 3.140 3.605 . 0 0 "[ . 1 . 2]" 1
279 1 8 ASN HD22 1 12 VAL MG2 . . 5.010 2.953 2.433 3.634 . 0 0 "[ . 1 . 2]" 1
280 1 54 ILE MD 1 55 ASN HD22 . . 4.430 3.248 2.456 3.943 . 0 0 "[ . 1 . 2]" 1
281 1 9 ILE HB 1 56 GLY HA3 . . 4.520 2.050 1.986 2.456 . 0 0 "[ . 1 . 2]" 1
282 1 5 ASN H 1 59 LEU MD2 . . 3.270 2.989 2.670 3.161 . 0 0 "[ . 1 . 2]" 1
283 1 35 TYR QE 1 53 PHE HA . . 3.480 3.188 2.467 3.496 0.016 18 0 "[ . 1 . 2]" 1
284 1 6 ILE MD 1 35 TYR QE . . 4.590 4.178 3.862 4.461 . 0 0 "[ . 1 . 2]" 1
285 1 6 ILE MG 1 35 TYR QD . . 3.950 2.716 2.270 3.235 . 0 0 "[ . 1 . 2]" 1
286 1 35 TYR QD 1 37 ILE MD . . 4.890 4.285 3.907 4.535 . 0 0 "[ . 1 . 2]" 1
287 1 53 PHE QE 1 59 LEU HB2 . . 4.680 3.026 2.745 3.122 . 0 0 "[ . 1 . 2]" 1
288 1 53 PHE QE 1 59 LEU HB3 . . 4.350 4.329 4.151 4.378 0.028 20 0 "[ . 1 . 2]" 1
289 1 3 THR HB 1 62 GLY HA3 . . 4.320 2.597 2.281 2.840 . 0 0 "[ . 1 . 2]" 1
290 1 3 THR HB 1 62 GLY HA2 . . 4.320 4.166 3.914 4.325 0.005 20 0 "[ . 1 . 2]" 1
291 1 47 LEU MD1 1 53 PHE QE . . 5.180 2.713 2.427 2.906 . 0 0 "[ . 1 . 2]" 1
292 1 47 LEU HB3 1 53 PHE QE . . 4.950 2.736 2.174 3.299 . 0 0 "[ . 1 . 2]" 1
293 1 47 LEU HB2 1 53 PHE QE . . 4.950 2.698 2.179 3.055 . 0 0 "[ . 1 . 2]" 1
294 1 47 LEU HB3 1 53 PHE HZ . . 5.080 3.610 3.199 4.128 . 0 0 "[ . 1 . 2]" 1
295 1 47 LEU HB2 1 53 PHE HZ . . 5.080 2.316 2.097 2.775 . 0 0 "[ . 1 . 2]" 1
296 1 9 ILE HB 1 56 GLY HA2 . . 4.520 3.764 3.522 4.188 . 0 0 "[ . 1 . 2]" 1
297 1 2 CYS HB3 1 39 ALA MB . . 5.090 3.767 2.500 4.770 . 0 0 "[ . 1 . 2]" 1
298 1 2 CYS HB2 1 39 ALA MB . . 5.090 3.054 2.437 3.596 . 0 0 "[ . 1 . 2]" 1
299 1 21 ALA HA 1 39 ALA MB . . 3.350 2.910 2.330 3.362 0.012 9 0 "[ . 1 . 2]" 1
300 1 19 VAL HB 1 39 ALA MB . . 3.660 2.626 2.029 3.030 . 0 0 "[ . 1 . 2]" 1
301 1 5 ASN HA 1 16 THR HA . . 3.410 2.354 2.162 2.498 . 0 0 "[ . 1 . 2]" 1
302 1 5 ASN HA 1 16 THR HB . . 4.600 3.548 3.477 3.702 . 0 0 "[ . 1 . 2]" 1
303 1 3 THR HA 1 18 CYS HA . . 3.380 2.349 1.996 2.731 . 0 0 "[ . 1 . 2]" 1
304 1 4 ALA MB 1 27 ILE MD . . 3.260 2.490 2.072 3.307 0.047 9 0 "[ . 1 . 2]" 1
305 1 6 ILE HB 1 15 ALA H . . 4.050 3.139 3.003 3.262 . 0 0 "[ . 1 . 2]" 1
306 1 1 ASN HA 1 21 ALA MB . . 4.110 3.181 2.712 3.752 . 0 0 "[ . 1 . 2]" 1
307 1 6 ILE MG 1 29 VAL MG2 . . 4.050 1.878 1.828 2.043 . 0 0 "[ . 1 . 2]" 1
308 1 6 ILE MD 1 35 TYR QD . . 3.530 3.127 2.611 3.404 . 0 0 "[ . 1 . 2]" 1
309 1 6 ILE MG 1 35 TYR QE . . 3.430 3.256 2.741 3.452 0.022 10 0 "[ . 1 . 2]" 1
310 1 33 HIS HD2 1 35 TYR QE . . 4.780 4.478 2.664 4.796 0.016 16 0 "[ . 1 . 2]" 1
311 1 35 TYR QD 1 53 PHE HA . . 4.150 4.134 3.892 4.189 0.039 15 0 "[ . 1 . 2]" 1
312 1 21 ALA HA 1 41 VAL HA . . 4.410 4.216 3.799 4.422 0.012 15 0 "[ . 1 . 2]" 1
313 1 21 ALA MB 1 41 VAL HA . . 3.310 3.038 2.458 3.331 0.021 17 0 "[ . 1 . 2]" 1
314 1 8 ASN H 1 11 GLU HA . . 4.200 3.945 3.834 4.064 . 0 0 "[ . 1 . 2]" 1
315 1 8 ASN H 1 14 ILE MD . . 3.570 3.360 3.113 3.613 0.043 5 0 "[ . 1 . 2]" 1
316 1 17 GLY HA2 1 25 LEU MD2 . . 3.750 3.779 3.728 3.811 0.061 1 0 "[ . 1 . 2]" 1
317 1 40 THR HA 1 40 THR MG . . 3.400 2.314 2.096 2.474 . 0 0 "[ . 1 . 2]" 1
318 1 39 ALA MB 1 43 CYS HA . . 3.610 2.252 1.975 2.785 . 0 0 "[ . 1 . 2]" 1
319 1 44 GLY HA3 1 45 LEU H . . 3.220 3.288 2.596 3.462 0.242 13 0 "[ . 1 . 2]" 1
320 1 6 ILE HB 1 14 ILE H . . 4.890 4.352 4.282 4.415 . 0 0 "[ . 1 . 2]" 1
321 1 6 ILE MD 1 53 PHE QE . . 4.120 2.617 2.332 3.102 . 0 0 "[ . 1 . 2]" 1
322 1 46 SER HA 1 59 LEU MD1 . . 3.350 3.358 3.242 3.394 0.044 18 0 "[ . 1 . 2]" 1
323 1 24 ASN HB3 1 38 ARG HG2 . . 4.910 4.081 1.957 4.708 . 0 0 "[ . 1 . 2]" 1
324 1 24 ASN HB2 1 38 ARG HG2 . . 4.910 4.387 2.351 4.962 0.052 18 0 "[ . 1 . 2]" 1
325 1 19 VAL HA 1 25 LEU HB2 . . 5.220 3.214 2.798 3.729 . 0 0 "[ . 1 . 2]" 1
326 1 19 VAL HA 1 25 LEU HB3 . . 5.220 2.798 2.515 3.181 . 0 0 "[ . 1 . 2]" 1
327 1 53 PHE QD 1 57 GLU HB2 . . 5.500 2.974 2.612 3.407 . 0 0 "[ . 1 . 2]" 1
328 1 53 PHE QD 1 57 GLU HB3 . . 5.500 3.188 2.317 3.837 . 0 0 "[ . 1 . 2]" 1
329 1 53 PHE QE 1 58 SER HA . . 5.410 3.448 2.691 3.958 . 0 0 "[ . 1 . 2]" 1
330 1 53 PHE HZ 1 59 LEU MD1 . . 4.190 1.992 1.938 2.412 . 0 0 "[ . 1 . 2]" 1
331 1 53 PHE QE 1 59 LEU MD1 . . 4.720 2.992 2.657 3.291 . 0 0 "[ . 1 . 2]" 1
332 1 53 PHE QE 1 59 LEU HG . . 4.920 2.151 1.995 2.531 . 0 0 "[ . 1 . 2]" 1
333 1 53 PHE HZ 1 59 LEU HG . . 4.800 2.682 2.184 3.368 . 0 0 "[ . 1 . 2]" 1
334 1 53 PHE HZ 1 59 LEU HB2 . . 4.120 2.423 2.089 2.800 . 0 0 "[ . 1 . 2]" 1
335 1 53 PHE HZ 1 59 LEU HB3 . . 4.090 3.810 3.549 4.097 0.007 4 0 "[ . 1 . 2]" 1
336 1 53 PHE QE 1 59 LEU MD2 . . 4.800 3.687 3.557 3.920 . 0 0 "[ . 1 . 2]" 1
337 1 53 PHE HZ 1 59 LEU MD2 . . 4.680 4.093 3.779 4.535 . 0 0 "[ . 1 . 2]" 1
338 1 27 ILE HB 1 27 ILE MD . . 3.420 2.282 2.188 3.205 . 0 0 "[ . 1 . 2]" 1
339 1 6 ILE MD 1 35 TYR HB3 . . 5.250 3.503 3.161 4.072 . 0 0 "[ . 1 . 2]" 1
340 1 6 ILE MD 1 35 TYR HB2 . . 5.250 3.047 2.769 3.382 . 0 0 "[ . 1 . 2]" 1
341 1 33 HIS HD2 1 54 ILE MD . . 5.030 3.060 2.126 4.656 . 0 0 "[ . 1 . 2]" 1
342 1 8 ASN HA 1 57 GLU HG2 . . 4.840 3.107 2.703 3.751 . 0 0 "[ . 1 . 2]" 1
343 1 8 ASN HA 1 57 GLU HG3 . . 4.840 4.576 4.138 4.862 0.022 14 0 "[ . 1 . 2]" 1
344 1 12 VAL HA 1 12 VAL MG2 . . 3.160 2.500 2.448 2.558 . 0 0 "[ . 1 . 2]" 1
345 1 13 VAL HA 1 13 VAL MG1 . . 3.570 2.302 2.260 2.390 . 0 0 "[ . 1 . 2]" 1
346 1 19 VAL HA 1 19 VAL MG1 . . 3.540 2.236 2.093 2.342 . 0 0 "[ . 1 . 2]" 1
347 1 22 GLY HA2 1 40 THR HA . . 5.280 2.832 2.407 3.462 . 0 0 "[ . 1 . 2]" 1
348 1 33 HIS HB2 1 54 ILE MD . . 5.070 4.229 3.550 5.078 0.008 18 0 "[ . 1 . 2]" 1
349 1 33 HIS HB3 1 54 ILE MD . . 5.070 4.306 3.860 4.976 . 0 0 "[ . 1 . 2]" 1
350 1 39 ALA HA 1 40 THR MG . . 4.210 3.668 3.386 4.133 . 0 0 "[ . 1 . 2]" 1
351 1 48 ASN HA 1 49 PRO HD3 . . 3.110 2.276 2.254 2.279 . 0 0 "[ . 1 . 2]" 1
352 1 5 ASN HA 1 16 THR MG . . 5.270 2.905 2.656 3.562 . 0 0 "[ . 1 . 2]" 1
353 1 6 ILE MG 1 15 ALA MB . . 4.250 2.642 2.433 2.814 . 0 0 "[ . 1 . 2]" 1
354 1 6 ILE MG 1 14 ILE MD . . 3.480 2.428 1.937 2.657 . 0 0 "[ . 1 . 2]" 1
355 1 6 ILE MG 1 14 ILE HG13 . . 3.710 2.175 1.967 2.338 . 0 0 "[ . 1 . 2]" 1
356 1 6 ILE MG 1 14 ILE HG12 . . 3.710 2.851 2.661 3.124 . 0 0 "[ . 1 . 2]" 1
357 1 6 ILE MD 1 37 ILE MD . . 3.210 2.204 1.938 2.550 . 0 0 "[ . 1 . 2]" 1
358 1 6 ILE MD 1 59 LEU HB3 . . 4.920 4.171 3.975 4.308 . 0 0 "[ . 1 . 2]" 1
359 1 6 ILE MD 1 59 LEU HB2 . . 4.250 3.844 3.647 3.961 . 0 0 "[ . 1 . 2]" 1
360 1 6 ILE MG 1 53 PHE QE . . 5.470 4.420 3.869 5.090 . 0 0 "[ . 1 . 2]" 1
361 1 6 ILE MD 1 53 PHE QD . . 5.210 3.669 3.379 4.000 . 0 0 "[ . 1 . 2]" 1
362 1 6 ILE MD 1 59 LEU HA . . 4.600 2.357 2.160 2.676 . 0 0 "[ . 1 . 2]" 1
363 1 4 ALA MB 1 37 ILE MG . . 2.960 2.033 1.868 2.415 . 0 0 "[ . 1 . 2]" 1
364 1 4 ALA MB 1 37 ILE MD . . 3.920 3.700 3.428 3.884 . 0 0 "[ . 1 . 2]" 1
365 1 5 ASN HB3 1 13 VAL MG2 . . 4.210 2.847 2.473 3.073 . 0 0 "[ . 1 . 2]" 1
366 1 5 ASN HB2 1 13 VAL MG2 . . 4.210 4.075 3.792 4.220 0.010 10 0 "[ . 1 . 2]" 1
367 1 5 ASN HB2 1 13 VAL MG1 . . 4.210 4.194 4.069 4.222 0.012 16 0 "[ . 1 . 2]" 1
368 1 6 ILE MG 1 57 GLU HG3 . . 4.950 4.433 3.969 4.741 . 0 0 "[ . 1 . 2]" 1
369 1 6 ILE MG 1 29 VAL MG1 . . 4.050 2.413 2.033 2.821 . 0 0 "[ . 1 . 2]" 1
370 1 7 LEU HG 1 11 GLU HA . . 4.990 4.962 4.895 5.025 0.035 10 0 "[ . 1 . 2]" 1
371 1 7 LEU MD2 1 11 GLU HA . . 4.000 2.860 2.817 2.924 . 0 0 "[ . 1 . 2]" 1
372 1 14 ILE MD 1 57 GLU HG2 . . 4.630 3.848 3.466 4.203 . 0 0 "[ . 1 . 2]" 1
373 1 14 ILE HG12 1 15 ALA MB . . 4.700 4.158 4.011 4.462 . 0 0 "[ . 1 . 2]" 1
374 1 14 ILE HG13 1 15 ALA MB . . 4.700 2.699 2.589 2.928 . 0 0 "[ . 1 . 2]" 1
375 1 6 ILE MD 1 15 ALA MB . . 4.230 4.238 4.157 4.283 0.053 11 0 "[ . 1 . 2]" 1
376 1 6 ILE HG12 1 15 ALA MB . . 4.370 3.776 3.529 3.987 . 0 0 "[ . 1 . 2]" 1
377 1 6 ILE HG13 1 15 ALA MB . . 4.370 3.315 3.146 3.425 . 0 0 "[ . 1 . 2]" 1
378 1 13 VAL HA 1 16 THR MG . . 4.930 4.628 4.485 5.019 0.089 9 0 "[ . 1 . 2]" 1
379 1 17 GLY HA2 1 27 ILE HG12 . . 4.880 3.724 3.434 5.010 0.130 9 0 "[ . 1 . 2]" 1
380 1 17 GLY HA3 1 27 ILE MD . . 4.230 2.808 1.927 2.948 . 0 0 "[ . 1 . 2]" 1
381 1 17 GLY HA3 1 27 ILE HG13 . . 4.880 2.163 1.978 2.335 . 0 0 "[ . 1 . 2]" 1
382 1 17 GLY HA3 1 27 ILE HG12 . . 4.880 2.163 1.973 3.575 . 0 0 "[ . 1 . 2]" 1
383 1 27 ILE MD 1 37 ILE HB . . 4.250 2.188 1.912 3.364 . 0 0 "[ . 1 . 2]" 1
384 1 27 ILE MD 1 37 ILE HG12 . . 4.260 2.222 1.976 3.851 . 0 0 "[ . 1 . 2]" 1
385 1 27 ILE HB 1 37 ILE HB . . 4.580 4.434 4.046 4.629 0.049 8 0 "[ . 1 . 2]" 1
386 1 24 ASN HB2 1 38 ARG HG3 . . 4.910 4.479 2.710 4.944 0.034 12 0 "[ . 1 . 2]" 1
387 1 19 VAL HA 1 27 ILE MD . . 4.650 4.394 4.162 4.626 . 0 0 "[ . 1 . 2]" 1
388 1 1 ASN HA 1 21 ALA HA . . 5.500 4.272 3.570 4.925 . 0 0 "[ . 1 . 2]" 1
389 1 22 GLY HA3 1 40 THR HA . . 5.280 4.492 3.977 5.137 . 0 0 "[ . 1 . 2]" 1
390 1 20 PRO HD3 1 25 LEU HB2 . . 5.500 2.849 2.182 3.543 . 0 0 "[ . 1 . 2]" 1
391 1 25 LEU HA 1 26 ILE HB . . 5.280 4.768 4.688 4.896 . 0 0 "[ . 1 . 2]" 1
392 1 26 ILE HG13 1 36 LEU HG . . 5.500 4.587 1.985 5.466 . 0 0 "[ . 1 . 2]" 1
393 1 26 ILE HG12 1 36 LEU HG . . 5.500 4.492 2.720 4.969 . 0 0 "[ . 1 . 2]" 1
394 1 36 LEU HG 1 48 ASN HB2 . . 4.700 3.111 2.517 4.045 . 0 0 "[ . 1 . 2]" 1
395 1 36 LEU HB2 1 48 ASN HB3 . . 4.760 4.623 3.547 4.780 0.020 11 0 "[ . 1 . 2]" 1
396 1 36 LEU HB3 1 48 ASN HB3 . . 4.760 3.321 2.577 3.504 . 0 0 "[ . 1 . 2]" 1
397 1 36 LEU HG 1 48 ASN HB3 . . 4.700 4.319 3.798 4.824 0.124 20 0 "[ . 1 . 2]" 1
398 1 26 ILE HA 1 36 LEU HA . . 3.530 2.090 1.960 2.329 . 0 0 "[ . 1 . 2]" 1
399 1 18 CYS HB2 1 65 CYS HB2 . . 5.500 4.698 2.807 5.496 . 0 0 "[ . 1 . 2]" 1
400 1 18 CYS HB2 1 65 CYS HB3 . . 5.500 4.808 3.658 5.445 . 0 0 "[ . 1 . 2]" 1
401 1 18 CYS HB3 1 65 CYS HB2 . . 5.500 4.943 3.535 5.496 . 0 0 "[ . 1 . 2]" 1
402 1 18 CYS HB3 1 65 CYS HB3 . . 5.500 4.918 3.224 5.491 . 0 0 "[ . 1 . 2]" 1
403 1 47 LEU HB2 1 59 LEU MD1 . . 3.840 2.370 2.185 2.513 . 0 0 "[ . 1 . 2]" 1
404 1 47 LEU HB3 1 59 LEU MD1 . . 3.840 3.835 3.710 3.877 0.037 8 0 "[ . 1 . 2]" 1
405 1 45 LEU HB3 1 59 LEU MD1 . . 4.190 2.734 2.504 3.001 . 0 0 "[ . 1 . 2]" 1
406 1 45 LEU HB2 1 59 LEU MD1 . . 4.190 3.986 3.556 4.237 0.047 7 0 "[ . 1 . 2]" 1
407 1 45 LEU HA 1 59 LEU MD1 . . 5.350 4.049 3.567 4.382 . 0 0 "[ . 1 . 2]" 1
408 1 53 PHE QD 1 59 LEU MD1 . . 5.500 4.763 4.588 5.054 . 0 0 "[ . 1 . 2]" 1
409 1 48 ASN HB2 1 51 GLN HG3 . . 5.500 4.089 3.521 4.787 . 0 0 "[ . 1 . 2]" 1
410 1 48 ASN HB3 1 51 GLN HG3 . . 5.500 3.394 2.329 3.894 . 0 0 "[ . 1 . 2]" 1
411 1 48 ASN HB3 1 51 GLN HG2 . . 5.500 4.990 4.081 5.506 0.006 18 0 "[ . 1 . 2]" 1
412 1 48 ASN HB2 1 51 GLN HG2 . . 5.500 5.447 5.053 5.534 0.034 20 0 "[ . 1 . 2]" 1
413 1 47 LEU MD2 1 53 PHE QE . . 5.180 2.452 2.024 2.910 . 0 0 "[ . 1 . 2]" 1
414 1 35 TYR QE 1 47 LEU MD2 . . 5.220 4.761 3.886 4.968 . 0 0 "[ . 1 . 2]" 1
415 1 1 ASN HA 1 2 CYS H . . 3.400 2.361 2.218 2.616 . 0 0 "[ . 1 . 2]" 1
416 1 1 ASN HB3 1 2 CYS H . . 3.710 2.609 1.992 3.056 . 0 0 "[ . 1 . 2]" 1
417 1 3 THR HB 1 4 ALA H . . 5.090 4.068 3.923 4.252 . 0 0 "[ . 1 . 2]" 1
418 1 4 ALA HA 1 5 ASN H . . 2.620 2.193 2.163 2.253 . 0 0 "[ . 1 . 2]" 1
419 1 5 ASN HA 1 6 ILE H . . 2.660 2.147 2.139 2.175 . 0 0 "[ . 1 . 2]" 1
420 1 5 ASN HB2 1 6 ILE H . . 4.320 4.366 4.307 4.405 0.085 9 0 "[ . 1 . 2]" 1
421 1 6 ILE HB 1 7 LEU H . . 4.600 4.303 4.266 4.358 . 0 0 "[ . 1 . 2]" 1
422 1 6 ILE MG 1 7 LEU H . . 3.190 2.554 2.473 2.654 . 0 0 "[ . 1 . 2]" 1
423 1 7 LEU H 1 7 LEU HG . . 3.480 2.659 2.551 2.805 . 0 0 "[ . 1 . 2]" 1
424 1 7 LEU HB2 1 8 ASN H . . 4.120 2.907 2.850 3.011 . 0 0 "[ . 1 . 2]" 1
425 1 7 LEU MD1 1 8 ASN H . . 5.490 4.487 4.444 4.565 . 0 0 "[ . 1 . 2]" 1
426 1 8 ASN HA 1 9 ILE H . . 3.100 2.691 2.675 2.744 . 0 0 "[ . 1 . 2]" 1
427 1 9 ILE H 1 10 ASN H . . 3.600 2.677 2.639 2.694 . 0 0 "[ . 1 . 2]" 1
428 1 10 ASN HB3 1 11 GLU H . . 4.390 3.911 3.721 4.232 . 0 0 "[ . 1 . 2]" 1
429 1 11 GLU HB2 1 12 VAL H . . 5.160 4.084 4.032 4.246 . 0 0 "[ . 1 . 2]" 1
430 1 11 GLU HB3 1 12 VAL H . . 5.230 4.506 4.487 4.514 . 0 0 "[ . 1 . 2]" 1
431 1 11 GLU HG2 1 12 VAL H . . 5.500 4.916 4.643 5.206 . 0 0 "[ . 1 . 2]" 1
432 1 11 GLU HG3 1 12 VAL H . . 5.500 5.030 4.716 5.343 . 0 0 "[ . 1 . 2]" 1
433 1 12 VAL HA 1 13 VAL H . . 2.530 2.145 2.143 2.149 . 0 0 "[ . 1 . 2]" 1
434 1 14 ILE H 1 15 ALA H . . 2.770 1.917 1.903 1.928 . 0 0 "[ . 1 . 2]" 1
435 1 14 ILE HB 1 15 ALA H . . 4.920 3.812 3.729 3.908 . 0 0 "[ . 1 . 2]" 1
436 1 14 ILE MG 1 15 ALA H . . 4.760 4.193 4.131 4.277 . 0 0 "[ . 1 . 2]" 1
437 1 14 ILE HG13 1 15 ALA H . . 3.980 2.498 2.185 2.687 . 0 0 "[ . 1 . 2]" 1
438 1 15 ALA H 1 16 THR H . . 4.400 4.400 4.373 4.418 0.018 20 0 "[ . 1 . 2]" 1
439 1 15 ALA HA 1 16 THR H . . 2.640 2.294 2.277 2.326 . 0 0 "[ . 1 . 2]" 1
440 1 15 ALA MB 1 16 THR H . . 3.030 2.700 2.556 2.785 . 0 0 "[ . 1 . 2]" 1
441 1 16 THR HA 1 17 GLY H . . 2.780 2.157 2.150 2.181 . 0 0 "[ . 1 . 2]" 1
442 1 18 CYS HB2 1 19 VAL H . . 4.650 4.408 4.303 4.523 . 0 0 "[ . 1 . 2]" 1
443 1 18 CYS HB3 1 19 VAL H . . 4.650 3.957 3.453 4.296 . 0 0 "[ . 1 . 2]" 1
444 1 20 PRO HA 1 21 ALA H . . 3.350 2.207 2.164 2.299 . 0 0 "[ . 1 . 2]" 1
445 1 22 GLY H 1 23 GLY H . . 3.170 2.615 2.596 2.633 . 0 0 "[ . 1 . 2]" 1
446 1 23 GLY HA2 1 24 ASN H . . 3.130 2.739 2.543 2.949 . 0 0 "[ . 1 . 2]" 1
447 1 23 GLY HA3 1 24 ASN H . . 3.130 2.409 2.246 2.583 . 0 0 "[ . 1 . 2]" 1
448 1 25 LEU HA 1 26 ILE H . . 2.680 2.271 2.266 2.284 . 0 0 "[ . 1 . 2]" 1
449 1 25 LEU MD1 1 26 ILE H . . 3.430 3.511 3.455 3.521 0.091 12 0 "[ . 1 . 2]" 1
450 1 26 ILE H 1 27 ILE H . . 4.510 4.478 4.345 4.523 0.013 9 0 "[ . 1 . 2]" 1
451 1 26 ILE MD 1 27 ILE H . . 5.500 5.146 5.003 5.327 . 0 0 "[ . 1 . 2]" 1
452 1 27 ILE HA 1 28 ARG H . . 2.540 2.143 2.140 2.145 . 0 0 "[ . 1 . 2]" 1
453 1 26 ILE MG 1 28 ARG H . . 3.920 3.924 3.774 3.986 0.066 17 0 "[ . 1 . 2]" 1
454 1 28 ARG HD2 1 29 VAL H . . 5.500 5.064 3.023 5.545 0.045 18 0 "[ . 1 . 2]" 1
455 1 29 VAL HB 1 30 GLY H . . 4.340 4.132 3.000 4.459 0.119 9 0 "[ . 1 . 2]" 1
456 1 29 VAL MG1 1 30 GLY H . . 4.220 3.140 1.876 4.010 . 0 0 "[ . 1 . 2]" 1
457 1 29 VAL MG2 1 30 GLY H . . 4.220 3.883 1.922 4.343 0.123 20 0 "[ . 1 . 2]" 1
458 1 32 ASP H 1 33 HIS H . . 3.250 2.634 2.073 3.054 . 0 0 "[ . 1 . 2]" 1
459 1 33 HIS HB3 1 34 SER H . . 3.560 2.251 1.925 3.298 . 0 0 "[ . 1 . 2]" 1
460 1 34 SER HB3 1 35 TYR H . . 3.560 3.379 3.123 3.594 0.034 1 0 "[ . 1 . 2]" 1
461 1 35 TYR H 1 36 LEU H . . 4.590 4.380 4.296 4.476 . 0 0 "[ . 1 . 2]" 1
462 1 35 TYR HB3 1 36 LEU H . . 4.140 3.145 2.638 3.249 . 0 0 "[ . 1 . 2]" 1
463 1 35 TYR QD 1 36 LEU H . . 3.920 3.865 3.420 3.971 0.051 11 0 "[ . 1 . 2]" 1
464 1 36 LEU HA 1 37 ILE H . . 2.650 2.151 2.141 2.176 . 0 0 "[ . 1 . 2]" 1
465 1 37 ILE H 1 38 ARG H . . 5.500 4.423 4.303 4.482 . 0 0 "[ . 1 . 2]" 1
466 1 37 ILE MG 1 38 ARG H . . 3.220 2.466 2.166 2.681 . 0 0 "[ . 1 . 2]" 1
467 1 37 ILE HG12 1 38 ARG H . . 5.500 5.168 5.086 5.206 . 0 0 "[ . 1 . 2]" 1
468 1 38 ARG HA 1 39 ALA H . . 2.770 2.349 2.279 2.488 . 0 0 "[ . 1 . 2]" 1
469 1 39 ALA HA 1 40 THR H . . 2.720 2.269 2.197 2.356 . 0 0 "[ . 1 . 2]" 1
470 1 39 ALA MB 1 40 THR H . . 3.330 2.684 2.472 2.890 . 0 0 "[ . 1 . 2]" 1
471 1 44 GLY H 1 45 LEU H . . 4.750 4.057 3.690 4.456 . 0 0 "[ . 1 . 2]" 1
472 1 45 LEU HA 1 46 SER H . . 2.630 2.213 2.140 2.320 . 0 0 "[ . 1 . 2]" 1
473 1 45 LEU HB3 1 46 SER H . . 4.470 3.030 2.635 3.459 . 0 0 "[ . 1 . 2]" 1
474 1 45 LEU MD2 1 46 SER H . . 4.550 3.728 3.216 4.574 0.024 11 0 "[ . 1 . 2]" 1
475 1 47 LEU HB3 1 48 ASN H . . 4.130 4.045 3.979 4.110 . 0 0 "[ . 1 . 2]" 1
476 1 47 LEU MD1 1 48 ASN H . . 4.000 3.143 3.064 3.283 . 0 0 "[ . 1 . 2]" 1
477 1 47 LEU MD2 1 48 ASN H . . 4.000 3.992 3.847 4.039 0.039 8 0 "[ . 1 . 2]" 1
478 1 50 SER H 1 51 GLN H . . 3.290 2.652 2.503 2.711 . 0 0 "[ . 1 . 2]" 1
479 1 50 SER HA 1 51 GLN H . . 3.390 3.420 3.296 3.455 0.065 3 0 "[ . 1 . 2]" 1
480 1 50 SER HB2 1 51 GLN H . . 4.390 3.692 3.059 4.269 . 0 0 "[ . 1 . 2]" 1
481 1 50 SER HB3 1 51 GLN H . . 4.390 3.444 3.113 4.211 . 0 0 "[ . 1 . 2]" 1
482 1 51 GLN HA 1 52 SER H . . 2.860 2.433 2.407 2.489 . 0 0 "[ . 1 . 2]" 1
483 1 51 GLN HB3 1 52 SER H . . 3.460 2.391 2.309 2.455 . 0 0 "[ . 1 . 2]" 1
484 1 51 GLN HG2 1 52 SER H . . 4.880 4.216 4.151 4.310 . 0 0 "[ . 1 . 2]" 1
485 1 51 GLN HG3 1 52 SER H . . 4.880 4.813 4.607 4.948 0.068 4 0 "[ . 1 . 2]" 1
486 1 53 PHE HA 1 54 ILE H . . 2.870 2.185 2.154 2.265 . 0 0 "[ . 1 . 2]" 1
487 1 54 ILE HB 1 55 ASN H . . 3.010 2.243 2.133 2.366 . 0 0 "[ . 1 . 2]" 1
488 1 55 ASN HA 1 56 GLY H . . 3.540 3.055 3.046 3.067 . 0 0 "[ . 1 . 2]" 1
489 1 55 ASN HB2 1 56 GLY H . . 5.290 4.001 3.917 4.044 . 0 0 "[ . 1 . 2]" 1
490 1 57 GLU HA 1 58 SER H . . 3.140 2.475 2.419 2.540 . 0 0 "[ . 1 . 2]" 1
491 1 57 GLU HB3 1 58 SER H . . 3.470 2.268 2.126 2.423 . 0 0 "[ . 1 . 2]" 1
492 1 58 SER HB2 1 59 LEU H . . 3.360 2.540 2.390 3.262 . 0 0 "[ . 1 . 2]" 1
493 1 59 LEU HA 1 60 ALA H . . 2.740 2.284 2.272 2.290 . 0 0 "[ . 1 . 2]" 1
494 1 59 LEU HB2 1 60 ALA H . . 4.870 4.175 4.162 4.196 . 0 0 "[ . 1 . 2]" 1
495 1 59 LEU HB3 1 60 ALA H . . 3.700 2.987 2.958 3.021 . 0 0 "[ . 1 . 2]" 1
496 1 59 LEU HG 1 60 ALA H . . 4.410 4.281 4.238 4.312 . 0 0 "[ . 1 . 2]" 1
497 1 60 ALA HA 1 61 SER H . . 2.920 2.314 2.205 2.416 . 0 0 "[ . 1 . 2]" 1
498 1 60 ALA MB 1 61 SER H . . 2.990 2.603 2.341 2.911 . 0 0 "[ . 1 . 2]" 1
499 1 61 SER HA 1 62 GLY H . . 3.070 2.267 2.180 2.416 . 0 0 "[ . 1 . 2]" 1
500 1 61 SER HB2 1 62 GLY H . . 4.340 4.091 3.765 4.306 . 0 0 "[ . 1 . 2]" 1
501 1 62 GLY H 1 63 GLY H . . 3.690 2.808 1.900 3.691 0.001 8 0 "[ . 1 . 2]" 1
502 1 63 GLY HA3 1 64 ARG H . . 3.520 2.409 2.138 3.539 0.019 9 0 "[ . 1 . 2]" 1
503 1 2 CYS H 1 2 CYS HB2 . . 3.690 2.524 2.350 2.728 . 0 0 "[ . 1 . 2]" 1
504 1 3 THR H 1 3 THR MG . . 3.810 3.830 3.807 3.850 0.040 5 0 "[ . 1 . 2]" 1
505 1 4 ALA H 1 4 ALA MB . . 3.020 2.321 2.261 2.453 . 0 0 "[ . 1 . 2]" 1
506 1 6 ILE H 1 6 ILE HB . . 3.050 2.397 2.357 2.503 . 0 0 "[ . 1 . 2]" 1
507 1 6 ILE H 1 6 ILE MG . . 4.210 3.682 3.655 3.703 . 0 0 "[ . 1 . 2]" 1
508 1 6 ILE H 1 6 ILE MD . . 4.690 4.027 3.941 4.178 . 0 0 "[ . 1 . 2]" 1
509 1 7 LEU H 1 7 LEU HB2 . . 4.070 3.086 3.032 3.165 . 0 0 "[ . 1 . 2]" 1
510 1 7 LEU H 1 7 LEU HB3 . . 4.070 3.764 3.714 3.831 . 0 0 "[ . 1 . 2]" 1
511 1 7 LEU H 1 7 LEU MD1 . . 4.430 1.997 1.911 2.232 . 0 0 "[ . 1 . 2]" 1
512 1 7 LEU H 1 7 LEU MD2 . . 4.430 4.021 3.936 4.125 . 0 0 "[ . 1 . 2]" 1
513 1 9 ILE H 1 9 ILE HB . . 2.830 2.406 2.376 2.444 . 0 0 "[ . 1 . 2]" 1
514 1 9 ILE H 1 9 ILE HG12 . . 4.590 4.592 4.567 4.629 0.039 10 0 "[ . 1 . 2]" 1
515 1 10 ASN H 1 10 ASN HB2 . . 3.390 2.482 2.180 2.640 . 0 0 "[ . 1 . 2]" 1
516 1 10 ASN H 1 10 ASN HB3 . . 3.390 2.938 2.641 3.561 0.171 19 0 "[ . 1 . 2]" 1
517 1 11 GLU H 1 11 GLU HA . . 2.590 2.275 2.274 2.276 . 0 0 "[ . 1 . 2]" 1
518 1 11 GLU H 1 11 GLU HB3 . . 3.980 4.004 3.981 4.026 0.046 1 0 "[ . 1 . 2]" 1
519 1 11 GLU H 1 11 GLU HG2 . . 4.010 2.937 2.550 3.366 . 0 0 "[ . 1 . 2]" 1
520 1 11 GLU H 1 11 GLU HG3 . . 4.010 3.233 2.741 3.748 . 0 0 "[ . 1 . 2]" 1
521 1 14 ILE H 1 14 ILE HB . . 3.710 3.680 3.629 3.703 . 0 0 "[ . 1 . 2]" 1
522 1 14 ILE H 1 14 ILE HG12 . . 3.800 2.043 1.946 2.280 . 0 0 "[ . 1 . 2]" 1
523 1 14 ILE H 1 14 ILE HG13 . . 3.800 2.583 2.306 2.720 . 0 0 "[ . 1 . 2]" 1
524 1 19 VAL H 1 19 VAL HB . . 3.530 2.686 2.547 2.859 . 0 0 "[ . 1 . 2]" 1
525 1 19 VAL H 1 19 VAL MG1 . . 4.200 3.850 3.812 3.882 . 0 0 "[ . 1 . 2]" 1
526 1 21 ALA H 1 21 ALA MB . . 3.280 2.169 2.031 2.234 . 0 0 "[ . 1 . 2]" 1
527 1 24 ASN H 1 24 ASN HB2 . . 4.120 3.931 3.833 4.015 . 0 0 "[ . 1 . 2]" 1
528 1 24 ASN H 1 24 ASN HB3 . . 4.120 3.275 3.182 3.356 . 0 0 "[ . 1 . 2]" 1
529 1 25 LEU H 1 25 LEU HB2 . . 3.720 3.337 3.272 3.388 . 0 0 "[ . 1 . 2]" 1
530 1 25 LEU H 1 25 LEU HG . . 4.520 4.567 4.561 4.572 0.052 7 0 "[ . 1 . 2]" 1
531 1 26 ILE H 1 26 ILE MD . . 3.810 3.086 1.930 3.729 . 0 0 "[ . 1 . 2]" 1
532 1 28 ARG H 1 28 ARG HB2 . . 3.590 2.622 2.160 3.650 0.060 14 0 "[ . 1 . 2]" 1
533 1 27 ILE HB 1 28 ARG H . . 5.100 4.409 4.173 4.452 . 0 0 "[ . 1 . 2]" 1
534 1 29 VAL H 1 29 VAL HB . . 3.240 2.675 2.530 3.072 . 0 0 "[ . 1 . 2]" 1
535 1 27 ILE MG 1 29 VAL H . . 3.700 3.862 3.751 4.135 0.435 1 0 "[ . 1 . 2]" 1
536 1 33 HIS HA 1 34 SER H . . 2.990 2.652 2.422 2.805 . 0 0 "[ . 1 . 2]" 1
537 1 35 TYR H 1 35 TYR HB2 . . 3.780 2.619 2.439 2.730 . 0 0 "[ . 1 . 2]" 1
538 1 35 TYR H 1 35 TYR QD . . 4.040 3.225 2.948 3.515 . 0 0 "[ . 1 . 2]" 1
539 1 36 LEU H 1 36 LEU HB2 . . 3.350 2.619 2.240 2.795 . 0 0 "[ . 1 . 2]" 1
540 1 37 ILE H 1 37 ILE HB . . 3.090 2.702 2.607 2.789 . 0 0 "[ . 1 . 2]" 1
541 1 45 LEU H 1 45 LEU MD1 . . 5.050 3.740 2.607 4.351 . 0 0 "[ . 1 . 2]" 1
542 1 38 ARG H 1 38 ARG HB3 . . 3.860 3.205 3.020 3.678 . 0 0 "[ . 1 . 2]" 1
543 1 38 ARG H 1 38 ARG HG3 . . 3.860 3.663 2.713 3.946 0.086 20 0 "[ . 1 . 2]" 1
544 1 38 ARG H 1 38 ARG HD2 . . 4.270 3.893 2.523 4.283 0.013 14 0 "[ . 1 . 2]" 1
545 1 38 ARG H 1 38 ARG HD3 . . 4.270 3.708 1.950 4.329 0.059 13 0 "[ . 1 . 2]" 1
546 1 39 ALA H 1 39 ALA MB . . 3.580 2.533 2.445 2.686 . 0 0 "[ . 1 . 2]" 1
547 1 41 VAL H 1 41 VAL MG1 . . 3.650 3.144 2.310 3.759 0.109 2 0 "[ . 1 . 2]" 1
548 1 43 CYS H 1 43 CYS HA . . 2.700 2.276 2.274 2.279 . 0 0 "[ . 1 . 2]" 1
549 1 37 ILE H 1 37 ILE MD . . 3.630 3.394 3.278 3.554 . 0 0 "[ . 1 . 2]" 1
550 1 47 LEU H 1 47 LEU MD2 . . 4.730 4.198 4.075 4.295 . 0 0 "[ . 1 . 2]" 1
551 1 48 ASN H 1 48 ASN HB2 . . 3.680 2.103 2.066 2.259 . 0 0 "[ . 1 . 2]" 1
552 1 48 ASN H 1 48 ASN HB3 . . 3.680 3.289 2.854 3.536 . 0 0 "[ . 1 . 2]" 1
553 1 50 SER H 1 50 SER HB2 . . 4.090 2.319 2.073 3.581 . 0 0 "[ . 1 . 2]" 1
554 1 50 SER H 1 50 SER HB3 . . 4.090 3.075 2.348 3.555 . 0 0 "[ . 1 . 2]" 1
555 1 51 GLN H 1 51 GLN HG3 . . 4.180 2.780 2.617 2.903 . 0 0 "[ . 1 . 2]" 1
556 1 52 SER H 1 52 SER HB2 . . 3.870 3.497 3.493 3.501 . 0 0 "[ . 1 . 2]" 1
557 1 52 SER H 1 52 SER HB3 . . 3.870 3.863 3.857 3.868 . 0 0 "[ . 1 . 2]" 1
558 1 53 PHE H 1 53 PHE HB2 . . 3.630 2.451 2.296 2.526 . 0 0 "[ . 1 . 2]" 1
559 1 54 ILE H 1 54 ILE MG . . 3.360 3.196 3.135 3.321 . 0 0 "[ . 1 . 2]" 1
560 1 54 ILE H 1 54 ILE MD . . 4.860 3.954 3.853 4.038 . 0 0 "[ . 1 . 2]" 1
561 1 59 LEU H 1 59 LEU HB3 . . 3.520 3.363 3.333 3.380 . 0 0 "[ . 1 . 2]" 1
562 1 59 LEU H 1 59 LEU HG . . 3.890 3.941 3.915 3.990 0.100 7 0 "[ . 1 . 2]" 1
563 1 59 LEU H 1 59 LEU MD1 . . 4.880 4.354 4.335 4.382 . 0 0 "[ . 1 . 2]" 1
564 1 64 ARG H 1 64 ARG HB2 . . 3.910 2.983 2.094 3.911 0.001 13 0 "[ . 1 . 2]" 1
565 1 7 LEU H 1 8 ASN H . . 5.050 4.479 4.451 4.503 . 0 0 "[ . 1 . 2]" 1
566 1 10 ASN H 1 11 GLU H . . 2.900 2.539 2.473 2.574 . 0 0 "[ . 1 . 2]" 1
567 1 11 GLU H 1 12 VAL H . . 3.080 2.676 2.616 2.772 . 0 0 "[ . 1 . 2]" 1
568 1 21 ALA H 1 22 GLY H . . 5.500 4.536 4.522 4.549 . 0 0 "[ . 1 . 2]" 1
569 1 25 LEU H 1 26 ILE H . . 4.320 4.359 4.340 4.377 0.057 17 0 "[ . 1 . 2]" 1
570 1 27 ILE H 1 28 ARG H . . 4.390 4.293 4.225 4.363 . 0 0 "[ . 1 . 2]" 1
571 1 28 ARG H 1 29 VAL H . . 4.700 4.399 4.275 4.520 . 0 0 "[ . 1 . 2]" 1
572 1 31 SER H 1 32 ASP H . . 4.900 2.663 2.509 3.052 . 0 0 "[ . 1 . 2]" 1
573 1 38 ARG H 1 39 ALA H . . 4.520 4.460 4.422 4.542 0.022 6 0 "[ . 1 . 2]" 1
574 1 41 VAL H 1 42 SER H . . 4.280 2.673 2.613 2.743 . 0 0 "[ . 1 . 2]" 1
575 1 42 SER H 1 43 CYS H . . 3.600 2.541 2.396 3.031 . 0 0 "[ . 1 . 2]" 1
576 1 43 CYS H 1 44 GLY H . . 5.130 3.416 2.632 4.170 . 0 0 "[ . 1 . 2]" 1
577 1 52 SER H 1 53 PHE H . . 4.300 4.311 4.291 4.329 0.029 3 0 "[ . 1 . 2]" 1
578 1 56 GLY H 1 57 GLU H . . 3.230 2.564 2.475 2.656 . 0 0 "[ . 1 . 2]" 1
579 1 57 GLU H 1 58 SER H . . 5.200 4.627 4.603 4.640 . 0 0 "[ . 1 . 2]" 1
580 1 59 LEU H 1 60 ALA H . . 5.200 4.506 4.504 4.509 . 0 0 "[ . 1 . 2]" 1
581 1 60 ALA H 1 61 SER H . . 4.350 4.354 4.269 4.390 0.040 20 0 "[ . 1 . 2]" 1
582 1 61 SER H 1 62 GLY H . . 5.500 4.593 4.533 4.646 . 0 0 "[ . 1 . 2]" 1
583 1 63 GLY H 1 64 ARG H . . 4.620 3.708 2.284 4.607 . 0 0 "[ . 1 . 2]" 1
584 1 64 ARG H 1 65 CYS H . . 4.980 4.475 4.390 4.617 . 0 0 "[ . 1 . 2]" 1
585 1 8 ASN H 1 13 VAL HA . . 5.500 4.359 4.165 4.770 . 0 0 "[ . 1 . 2]" 1
586 1 9 ILE HA 1 11 GLU H . . 3.890 3.490 3.470 3.506 . 0 0 "[ . 1 . 2]" 1
587 1 7 LEU HA 1 12 VAL H . . 4.610 4.213 3.865 4.344 . 0 0 "[ . 1 . 2]" 1
588 1 5 ASN H 1 60 ALA MB . . 4.160 3.943 3.752 4.161 0.001 20 0 "[ . 1 . 2]" 1
589 1 7 LEU MD2 1 8 ASN H . . 5.490 4.358 4.284 4.452 . 0 0 "[ . 1 . 2]" 1
590 1 9 ILE MG 1 11 GLU H . . 4.740 4.240 4.120 4.327 . 0 0 "[ . 1 . 2]" 1
591 1 8 ASN H 1 12 VAL HB . . 4.410 3.529 3.447 3.789 . 0 0 "[ . 1 . 2]" 1
592 1 7 LEU HB2 1 11 GLU H . . 4.440 3.860 3.797 3.899 . 0 0 "[ . 1 . 2]" 1
593 1 8 ASN H 1 12 VAL H . . 3.450 2.465 2.330 2.557 . 0 0 "[ . 1 . 2]" 1
594 1 16 THR H 1 27 ILE MG . . 3.730 3.355 3.117 3.673 . 0 0 "[ . 1 . 2]" 1
595 1 17 GLY H 1 27 ILE MG . . 3.380 3.442 3.359 3.476 0.096 15 0 "[ . 1 . 2]" 1
596 1 18 CYS H 1 25 LEU MD1 . . 4.450 3.740 3.428 4.357 . 0 0 "[ . 1 . 2]" 1
597 1 22 GLY H 1 39 ALA MB . . 3.410 3.241 3.004 3.416 0.006 20 0 "[ . 1 . 2]" 1
598 1 13 VAL HA 1 15 ALA H . . 3.550 3.545 3.484 3.609 0.059 5 0 "[ . 1 . 2]" 1
599 1 7 LEU HA 1 14 ILE H . . 3.490 2.408 2.322 2.604 . 0 0 "[ . 1 . 2]" 1
600 1 7 LEU HA 1 15 ALA H . . 5.170 3.942 3.874 4.060 . 0 0 "[ . 1 . 2]" 1
601 1 25 LEU H 1 38 ARG HA . . 4.030 3.128 2.784 3.487 . 0 0 "[ . 1 . 2]" 1
602 1 15 ALA MB 1 30 GLY H . . 5.110 3.517 3.059 4.934 . 0 0 "[ . 1 . 2]" 1
603 1 27 ILE HB 1 35 TYR H . . 3.840 3.645 3.294 3.862 0.022 17 0 "[ . 1 . 2]" 1
604 1 26 ILE MG 1 36 LEU H . . 3.980 4.010 3.984 4.037 0.057 17 0 "[ . 1 . 2]" 1
605 1 37 ILE HA 1 48 ASN H . . 4.240 3.799 3.569 4.065 . 0 0 "[ . 1 . 2]" 1
606 1 37 ILE MD 1 48 ASN H . . 4.020 3.922 3.647 4.063 0.043 13 0 "[ . 1 . 2]" 1
607 1 46 SER H 1 59 LEU HB3 . . 5.500 5.467 5.223 5.547 0.047 15 0 "[ . 1 . 2]" 1
608 1 55 ASN HB3 1 57 GLU H . . 4.210 3.888 3.590 4.341 0.131 12 0 "[ . 1 . 2]" 1
609 1 6 ILE MD 1 58 SER H . . 4.500 3.653 3.497 3.876 . 0 0 "[ . 1 . 2]" 1
610 1 59 LEU MD2 1 61 SER H . . 5.500 5.388 5.230 5.506 0.006 8 0 "[ . 1 . 2]" 1
611 1 5 ASN HB2 1 5 ASN HD21 . . 3.420 2.560 2.348 2.841 . 0 0 "[ . 1 . 2]" 1
612 1 5 ASN HB3 1 5 ASN HD21 . . 3.420 2.533 2.285 2.757 . 0 0 "[ . 1 . 2]" 1
613 1 5 ASN HB3 1 5 ASN HD22 . . 3.910 3.605 3.501 3.704 . 0 0 "[ . 1 . 2]" 1
614 1 3 THR HB 1 62 GLY H . . 3.490 3.100 2.404 3.496 0.006 11 0 "[ . 1 . 2]" 1
615 1 5 ASN HD22 1 62 GLY HA3 . . 5.110 3.161 2.443 3.529 . 0 0 "[ . 1 . 2]" 1
616 1 5 ASN HD22 1 62 GLY HA2 . . 5.110 2.785 2.212 3.587 . 0 0 "[ . 1 . 2]" 1
617 1 5 ASN HD21 1 62 GLY HA3 . . 5.270 3.971 3.400 4.434 . 0 0 "[ . 1 . 2]" 1
618 1 5 ASN HD21 1 62 GLY HA2 . . 5.270 3.121 2.620 4.046 . 0 0 "[ . 1 . 2]" 1
619 1 5 ASN HD21 1 60 ALA MB . . 4.100 3.770 3.112 4.093 . 0 0 "[ . 1 . 2]" 1
620 1 3 THR MG 1 5 ASN HD21 . . 5.500 4.796 4.476 5.243 . 0 0 "[ . 1 . 2]" 1
621 1 5 ASN HB2 1 5 ASN HD22 . . 3.910 3.616 3.525 3.740 . 0 0 "[ . 1 . 2]" 1
622 1 5 ASN HD22 1 60 ALA MB . . 5.500 5.119 4.538 5.463 . 0 0 "[ . 1 . 2]" 1
623 1 3 THR MG 1 5 ASN HD22 . . 5.500 3.791 3.461 4.070 . 0 0 "[ . 1 . 2]" 1
624 1 8 ASN HD22 1 12 VAL HB . . 3.070 1.963 1.884 2.206 . 0 0 "[ . 1 . 2]" 1
625 1 8 ASN HD22 1 14 ILE MD . . 4.430 4.340 3.715 4.450 0.020 8 0 "[ . 1 . 2]" 1
626 1 8 ASN HD21 1 12 VAL HB . . 3.700 3.161 2.123 3.475 . 0 0 "[ . 1 . 2]" 1
627 1 8 ASN HD21 1 14 ILE MD . . 4.820 3.474 2.819 4.666 . 0 0 "[ . 1 . 2]" 1
628 1 5 ASN H 1 60 ALA H . . 3.670 2.984 2.741 3.198 . 0 0 "[ . 1 . 2]" 1
629 1 4 ALA MB 1 60 ALA H . . 5.170 4.586 4.381 4.874 . 0 0 "[ . 1 . 2]" 1
630 1 5 ASN HB2 1 60 ALA H . . 4.710 3.614 3.369 3.792 . 0 0 "[ . 1 . 2]" 1
631 1 5 ASN HB3 1 60 ALA H . . 4.710 4.446 4.025 4.599 . 0 0 "[ . 1 . 2]" 1
632 1 6 ILE H 1 15 ALA H . . 3.700 3.249 3.125 3.405 . 0 0 "[ . 1 . 2]" 1
633 1 27 ILE H 1 35 TYR H . . 3.540 3.374 3.049 3.577 0.037 1 0 "[ . 1 . 2]" 1
634 1 8 ASN HD22 1 14 ILE MG . . 3.650 2.787 1.866 3.214 . 0 0 "[ . 1 . 2]" 1
635 1 4 ALA H 1 17 GLY H . . 3.340 3.240 3.003 3.358 0.018 4 0 "[ . 1 . 2]" 1
636 1 54 ILE MG 1 55 ASN HD22 . . 5.500 5.219 4.175 5.496 . 0 0 "[ . 1 . 2]" 1
637 1 54 ILE MG 1 55 ASN HD21 . . 5.500 4.546 3.681 5.324 . 0 0 "[ . 1 . 2]" 1
638 1 54 ILE MD 1 55 ASN HD21 . . 4.430 2.772 2.003 3.821 . 0 0 "[ . 1 . 2]" 1
639 1 4 ALA H 1 18 CYS HA . . 4.050 2.910 2.458 3.359 . 0 0 "[ . 1 . 2]" 1
640 1 6 ILE H 1 16 THR HA . . 3.910 3.093 2.924 3.317 . 0 0 "[ . 1 . 2]" 1
641 1 39 ALA MB 1 44 GLY H . . 3.730 2.245 1.918 3.025 . 0 0 "[ . 1 . 2]" 1
642 1 35 TYR QE 1 54 ILE H . . 3.720 3.304 3.022 3.726 0.006 10 0 "[ . 1 . 2]" 1
643 1 7 LEU H 1 58 SER H . . 3.400 2.931 2.745 3.179 . 0 0 "[ . 1 . 2]" 1
644 1 40 THR H 1 44 GLY H . . 3.400 2.125 1.878 3.340 . 0 0 "[ . 1 . 2]" 1
645 1 36 LEU H 1 48 ASN H . . 4.590 4.381 4.173 4.615 0.025 7 0 "[ . 1 . 2]" 1
646 1 36 LEU HA 1 51 GLN HE21 . . 5.490 5.214 4.474 5.527 0.037 15 0 "[ . 1 . 2]" 1
647 1 36 LEU HA 1 51 GLN HE22 . . 5.490 3.860 3.496 4.368 . 0 0 "[ . 1 . 2]" 1
648 1 9 ILE MD 1 57 GLU H . . 5.140 5.144 5.139 5.155 0.015 1 0 "[ . 1 . 2]" 1
649 1 45 LEU H 1 45 LEU MD2 . . 5.050 2.716 2.017 3.802 . 0 0 "[ . 1 . 2]" 1
650 1 45 LEU MD1 1 46 SER H . . 4.550 4.157 3.156 4.638 0.088 13 0 "[ . 1 . 2]" 1
651 1 2 CYS H 1 19 VAL HB . . 4.100 3.994 3.714 4.132 0.032 3 0 "[ . 1 . 2]" 1
652 1 2 CYS HA 1 3 THR H . . 2.660 2.430 2.249 2.550 . 0 0 "[ . 1 . 2]" 1
653 1 2 CYS H 1 39 ALA MB . . 4.480 4.187 3.912 4.411 . 0 0 "[ . 1 . 2]" 1
654 1 3 THR HA 1 19 VAL H . . 3.870 2.929 2.538 3.590 . 0 0 "[ . 1 . 2]" 1
655 1 8 ASN H 1 14 ILE H . . 4.620 4.347 4.148 4.674 0.054 10 0 "[ . 1 . 2]" 1
656 1 11 GLU HA 1 12 VAL H . . 3.390 2.916 2.752 2.964 . 0 0 "[ . 1 . 2]" 1
657 1 1 ASN HA 1 21 ALA H . . 3.780 2.398 1.942 3.386 . 0 0 "[ . 1 . 2]" 1
658 1 6 ILE H 1 16 THR HB . . 4.850 4.919 4.887 4.961 0.111 12 0 "[ . 1 . 2]" 1
659 1 5 ASN HA 1 17 GLY H . . 4.110 3.568 3.321 3.842 . 0 0 "[ . 1 . 2]" 1
660 1 6 ILE H 1 59 LEU MD2 . . 5.500 4.148 3.893 4.463 . 0 0 "[ . 1 . 2]" 1
661 1 6 ILE H 1 15 ALA MB . . 3.920 3.326 3.184 3.571 . 0 0 "[ . 1 . 2]" 1
662 1 2 CYS HB3 1 19 VAL H . . 4.760 4.280 2.858 4.740 . 0 0 "[ . 1 . 2]" 1
663 1 20 PRO HD3 1 24 ASN H . . 5.500 5.042 4.487 5.511 0.011 12 0 "[ . 1 . 2]" 1
664 1 20 PRO HD2 1 24 ASN H . . 5.500 3.815 3.332 4.296 . 0 0 "[ . 1 . 2]" 1
665 1 7 LEU HB3 1 11 GLU H . . 4.440 4.465 4.447 4.490 0.050 5 0 "[ . 1 . 2]" 1
666 1 7 LEU MD1 1 11 GLU H . . 4.880 4.952 4.941 4.979 0.099 18 0 "[ . 1 . 2]" 1
667 1 7 LEU MD2 1 11 GLU H . . 4.880 4.761 4.735 4.780 . 0 0 "[ . 1 . 2]" 1
668 1 40 THR HA 1 41 VAL H . . 2.950 2.578 2.436 2.680 . 0 0 "[ . 1 . 2]" 1
669 1 40 THR H 1 40 THR MG . . 3.150 2.498 2.043 2.922 . 0 0 "[ . 1 . 2]" 1
670 1 22 GLY H 1 40 THR HA . . 4.430 3.347 2.760 3.842 . 0 0 "[ . 1 . 2]" 1
671 1 39 ALA MB 1 45 LEU H . . 4.550 4.411 4.162 4.614 0.064 8 0 "[ . 1 . 2]" 1
672 1 39 ALA MB 1 43 CYS H . . 3.700 3.721 3.614 3.835 0.135 8 0 "[ . 1 . 2]" 1
673 1 5 ASN HA 1 15 ALA H . . 4.980 4.934 4.807 5.052 0.072 9 0 "[ . 1 . 2]" 1
674 1 6 ILE MG 1 15 ALA H . . 3.620 3.275 3.145 3.367 . 0 0 "[ . 1 . 2]" 1
675 1 6 ILE MG 1 14 ILE H . . 3.440 3.539 3.496 3.595 0.155 5 0 "[ . 1 . 2]" 1
676 1 5 ASN HA 1 5 ASN HD21 . . 4.600 4.331 4.148 4.389 . 0 0 "[ . 1 . 2]" 1
677 1 26 ILE MG 1 35 TYR H . . 4.270 3.625 3.277 3.779 . 0 0 "[ . 1 . 2]" 1
678 1 28 ARG HA 1 35 TYR H . . 4.170 3.504 3.221 3.828 . 0 0 "[ . 1 . 2]" 1
679 1 26 ILE HA 1 35 TYR H . . 5.120 5.004 4.703 5.211 0.091 1 0 "[ . 1 . 2]" 1
680 1 23 GLY H 1 39 ALA MB . . 3.730 3.623 3.078 3.793 0.063 17 0 "[ . 1 . 2]" 1
681 1 46 SER HB3 1 47 LEU H . . 3.560 3.330 2.930 3.496 . 0 0 "[ . 1 . 2]" 1
682 1 25 LEU H 1 37 ILE HB . . 5.500 4.054 3.658 4.413 . 0 0 "[ . 1 . 2]" 1
683 1 33 HIS HD2 1 34 SER H . . 5.020 4.007 2.445 5.122 0.102 20 0 "[ . 1 . 2]" 1
684 1 64 ARG HG2 1 65 CYS H . . 4.810 3.930 2.646 4.761 . 0 0 "[ . 1 . 2]" 1
685 1 37 ILE H 1 37 ILE HG13 . . 4.360 4.026 3.889 4.221 . 0 0 "[ . 1 . 2]" 1
686 1 37 ILE H 1 37 ILE MG . . 4.050 3.872 3.828 3.912 . 0 0 "[ . 1 . 2]" 1
687 1 8 ASN HA 1 10 ASN H . . 4.760 4.192 4.151 4.286 . 0 0 "[ . 1 . 2]" 1
688 1 8 ASN HD21 1 9 ILE H . . 4.740 4.703 4.418 5.014 0.274 20 0 "[ . 1 . 2]" 1
689 1 36 LEU HG 1 48 ASN H . . 5.500 4.273 3.639 5.512 0.012 20 0 "[ . 1 . 2]" 1
690 1 55 ASN HB2 1 57 GLU H . . 4.210 3.385 2.908 3.665 . 0 0 "[ . 1 . 2]" 1
691 1 48 ASN HB3 1 51 GLN HE22 . . 5.500 5.095 4.522 5.521 0.021 18 0 "[ . 1 . 2]" 1
692 1 48 ASN HB3 1 51 GLN HE21 . . 5.500 4.644 3.590 5.514 0.014 3 0 "[ . 1 . 2]" 1
693 1 48 ASN HB2 1 51 GLN H . . 4.850 4.121 3.566 4.861 0.011 20 0 "[ . 1 . 2]" 1
694 1 55 ASN HA 1 57 GLU H . . 5.500 4.308 4.217 4.428 . 0 0 "[ . 1 . 2]" 1
695 1 8 ASN HA 1 57 GLU H . . 4.870 4.225 4.085 4.358 . 0 0 "[ . 1 . 2]" 1
696 1 8 ASN HA 1 58 SER H . . 4.510 3.798 3.590 3.970 . 0 0 "[ . 1 . 2]" 1
697 1 28 ARG HD3 1 29 VAL H . . 5.500 4.702 2.460 5.505 0.005 9 0 "[ . 1 . 2]" 1
698 1 28 ARG H 1 28 ARG HB3 . . 3.590 3.065 2.475 3.477 . 0 0 "[ . 1 . 2]" 1
699 1 2 CYS H 1 19 VAL H . . 4.570 3.683 3.270 4.036 . 0 0 "[ . 1 . 2]" 1
700 1 6 ILE H 1 14 ILE H . . 4.680 4.298 4.000 4.457 . 0 0 "[ . 1 . 2]" 1
701 1 2 CYS H 1 20 PRO HA . . 4.300 3.170 2.607 3.628 . 0 0 "[ . 1 . 2]" 1
702 1 2 CYS HB2 1 19 VAL H . . 4.760 4.264 2.944 4.765 0.005 9 0 "[ . 1 . 2]" 1
703 1 2 CYS H 1 21 ALA MB . . 5.350 4.470 4.111 4.839 . 0 0 "[ . 1 . 2]" 1
704 1 3 THR H 1 4 ALA H . . 4.920 4.434 4.318 4.505 . 0 0 "[ . 1 . 2]" 1
705 1 4 ALA H 1 16 THR HA . . 5.130 4.896 4.644 5.141 0.011 9 0 "[ . 1 . 2]" 1
706 1 5 ASN H 1 5 ASN HD22 . . 5.500 5.405 5.228 5.508 0.008 12 0 "[ . 1 . 2]" 1
707 1 5 ASN H 1 5 ASN HD21 . . 5.500 4.883 4.713 5.077 . 0 0 "[ . 1 . 2]" 1
708 1 4 ALA MB 1 19 VAL H . . 4.650 3.693 3.486 4.001 . 0 0 "[ . 1 . 2]" 1
709 1 55 ASN HB3 1 56 GLY H . . 5.290 4.303 4.213 4.579 . 0 0 "[ . 1 . 2]" 1
710 1 24 ASN HB2 1 39 ALA H . . 5.500 4.851 4.367 5.274 . 0 0 "[ . 1 . 2]" 1
711 1 24 ASN HB3 1 39 ALA H . . 5.500 4.092 3.554 4.529 . 0 0 "[ . 1 . 2]" 1
712 1 19 VAL H 1 27 ILE MD . . 4.720 4.693 4.451 4.777 0.057 12 0 "[ . 1 . 2]" 1
713 1 21 ALA HA 1 23 GLY H . . 4.050 3.395 3.377 3.423 . 0 0 "[ . 1 . 2]" 1
714 1 27 ILE H 1 36 LEU HA . . 4.310 3.020 2.734 3.447 . 0 0 "[ . 1 . 2]" 1
715 1 1 ASN HB3 1 65 CYS H . . 5.500 5.173 3.943 5.499 . 0 0 "[ . 1 . 2]" 1
716 1 1 ASN HB2 1 65 CYS H . . 5.500 3.982 2.770 4.764 . 0 0 "[ . 1 . 2]" 1
717 1 53 PHE HZ 1 59 LEU H . . 5.240 4.119 3.704 4.570 . 0 0 "[ . 1 . 2]" 1
718 1 53 PHE QE 1 59 LEU H . . 4.860 3.664 3.157 4.030 . 0 0 "[ . 1 . 2]" 1
719 1 46 SER H 1 59 LEU MD1 . . 4.330 3.059 2.940 3.197 . 0 0 "[ . 1 . 2]" 1
720 1 51 GLN H 1 52 SER H . . 5.500 4.488 4.451 4.500 . 0 0 "[ . 1 . 2]" 1
721 1 48 ASN HB3 1 51 GLN H . . 4.850 2.898 2.704 3.234 . 0 0 "[ . 1 . 2]" 1
722 1 47 LEU HG 1 51 GLN H . . 4.730 4.449 4.289 4.629 . 0 0 "[ . 1 . 2]" 1
723 1 47 LEU MD2 1 51 GLN H . . 5.500 4.133 3.814 4.382 . 0 0 "[ . 1 . 2]" 1
724 1 47 LEU MD1 1 51 GLN H . . 5.500 5.236 4.973 5.511 0.011 20 0 "[ . 1 . 2]" 1
725 1 48 ASN HB2 1 51 GLN HE22 . . 5.500 4.567 4.115 5.540 0.040 20 0 "[ . 1 . 2]" 1
726 1 48 ASN HB2 1 51 GLN HE21 . . 5.500 4.618 3.374 5.222 . 0 0 "[ . 1 . 2]" 1
727 1 37 ILE MD 1 47 LEU H . . 5.500 4.568 4.315 4.862 . 0 0 "[ . 1 . 2]" 1
728 1 47 LEU H 1 53 PHE HZ . . 4.890 4.377 4.027 4.888 . 0 0 "[ . 1 . 2]" 1
729 1 47 LEU H 1 53 PHE QE . . 5.190 4.180 3.759 4.747 . 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 6
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 8.015
_Distance_constraint_stats_list.Viol_max 0.067
_Distance_constraint_stats_list.Viol_rms 0.0108
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0200
_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 2 CYS 0.401 0.067 1 0 "[ . 1 . 2]"
1 18 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 CYS 0.401 0.067 1 0 "[ . 1 . 2]"
1 65 CYS 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 2 CYS SG 1 43 CYS SG . . 2.100 2.008 1.863 2.116 0.016 16 0 "[ . 1 . 2]" 2
2 1 2 CYS SG 1 43 CYS CB . . 3.100 3.069 2.987 3.167 0.067 1 0 "[ . 1 . 2]" 2
3 1 2 CYS CB 1 43 CYS SG . . 3.100 3.048 2.976 3.134 0.034 1 0 "[ . 1 . 2]" 2
4 1 18 CYS SG 1 65 CYS SG . . 2.100 2.040 1.986 2.096 . 0 0 "[ . 1 . 2]" 2
5 1 18 CYS SG 1 65 CYS CB . . 3.100 3.053 2.996 3.097 . 0 0 "[ . 1 . 2]" 2
6 1 18 CYS CB 1 65 CYS SG . . 3.100 3.063 3.038 3.096 . 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 310
_Distance_constraint_stats_list.Viol_count 491
_Distance_constraint_stats_list.Viol_total 427.720
_Distance_constraint_stats_list.Viol_max 0.265
_Distance_constraint_stats_list.Viol_rms 0.0166
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0436
_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 1 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 CYS 0.595 0.086 6 0 "[ . 1 . 2]"
1 3 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ALA 0.073 0.035 18 0 "[ . 1 . 2]"
1 5 ASN 0.003 0.003 9 0 "[ . 1 . 2]"
1 6 ILE 2.713 0.222 12 0 "[ . 1 . 2]"
1 7 LEU 2.248 0.107 9 0 "[ . 1 . 2]"
1 8 ASN 0.129 0.068 16 0 "[ . 1 . 2]"
1 9 ILE 1.889 0.142 19 0 "[ . 1 . 2]"
1 10 ASN 2.843 0.171 20 0 "[ . 1 . 2]"
1 11 GLU 1.071 0.047 7 0 "[ . 1 . 2]"
1 12 VAL 2.103 0.171 20 0 "[ . 1 . 2]"
1 13 VAL 1.159 0.128 9 0 "[ . 1 . 2]"
1 14 ILE 0.104 0.068 16 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 THR 1.156 0.128 9 0 "[ . 1 . 2]"
1 17 GLY 0.227 0.227 9 0 "[ . 1 . 2]"
1 18 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 VAL 2.118 0.158 13 0 "[ . 1 . 2]"
1 20 PRO 0.682 0.070 5 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLY 0.523 0.059 4 0 "[ . 1 . 2]"
1 23 GLY 0.682 0.070 5 0 "[ . 1 . 2]"
1 24 ASN 1.615 0.193 17 0 "[ . 1 . 2]"
1 25 LEU 0.271 0.227 9 0 "[ . 1 . 2]"
1 26 ILE 0.568 0.081 8 0 "[ . 1 . 2]"
1 27 ILE 0.154 0.060 9 0 "[ . 1 . 2]"
1 28 ARG 3.043 0.265 1 0 "[ . 1 . 2]"
1 29 VAL 2.590 0.265 1 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 HIS 0.031 0.016 12 0 "[ . 1 . 2]"
1 34 SER 0.184 0.109 1 0 "[ . 1 . 2]"
1 35 TYR 0.072 0.034 20 0 "[ . 1 . 2]"
1 36 LEU 0.624 0.081 8 0 "[ . 1 . 2]"
1 37 ILE 0.007 0.005 15 0 "[ . 1 . 2]"
1 38 ARG 3.764 0.193 17 0 "[ . 1 . 2]"
1 39 ALA 1.080 0.127 11 0 "[ . 1 . 2]"
1 40 THR 0.464 0.053 11 0 "[ . 1 . 2]"
1 41 VAL 0.523 0.059 4 0 "[ . 1 . 2]"
1 42 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 CYS 0.128 0.054 16 0 "[ . 1 . 2]"
1 44 GLY 0.352 0.127 11 0 "[ . 1 . 2]"
1 45 LEU 1.254 0.073 18 0 "[ . 1 . 2]"
1 46 SER 0.077 0.042 11 0 "[ . 1 . 2]"
1 47 LEU 0.210 0.059 20 0 "[ . 1 . 2]"
1 48 ASN 0.519 0.076 20 0 "[ . 1 . 2]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLN 0.427 0.076 20 0 "[ . 1 . 2]"
1 52 SER 0.017 0.002 2 0 "[ . 1 . 2]"
1 53 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ILE 0.031 0.016 12 0 "[ . 1 . 2]"
1 55 ASN 0.140 0.140 12 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLU 0.156 0.140 12 0 "[ . 1 . 2]"
1 58 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 0.033 0.016 18 0 "[ . 1 . 2]"
1 60 ALA 0.369 0.073 18 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ARG 0.280 0.177 18 0 "[ . 1 . 2]"
1 65 CYS 0.034 0.028 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ASN QB 1 2 CYS H . . 3.230 2.543 1.979 2.921 . 0 0 "[ . 1 . 2]" 3
2 1 1 ASN QB 1 19 VAL H . . 5.120 4.469 4.016 4.923 . 0 0 "[ . 1 . 2]" 3
3 1 1 ASN QB 1 20 PRO HA . . 4.590 2.609 1.992 3.628 . 0 0 "[ . 1 . 2]" 3
4 1 1 ASN QB 1 21 ALA H . . 4.590 3.851 3.411 4.590 . 0 0 "[ . 1 . 2]" 3
5 1 2 CYS H 1 2 CYS QB . . 3.000 2.464 2.304 2.661 . 0 0 "[ . 1 . 2]" 3
6 1 2 CYS H 1 19 VAL QG . . 4.160 4.168 4.090 4.246 0.086 6 0 "[ . 1 . 2]" 3
7 1 2 CYS QB 1 3 THR H . . 3.620 2.505 2.106 3.399 . 0 0 "[ . 1 . 2]" 3
8 1 2 CYS QB 1 19 VAL H . . 4.050 3.709 2.819 4.087 0.037 16 0 "[ . 1 . 2]" 3
9 1 2 CYS QB 1 19 VAL HB . . 3.560 3.008 1.980 3.417 . 0 0 "[ . 1 . 2]" 3
10 1 2 CYS QB 1 19 VAL QG . . 4.200 3.462 2.820 3.744 . 0 0 "[ . 1 . 2]" 3
11 1 2 CYS QB 1 39 ALA MB . . 4.260 2.921 2.210 3.496 . 0 0 "[ . 1 . 2]" 3
12 1 2 CYS QB 1 43 CYS QB . . 3.750 3.555 2.720 3.804 0.054 16 0 "[ . 1 . 2]" 3
13 1 2 CYS QB 1 45 LEU QD . . 3.700 3.172 2.556 3.707 0.007 18 0 "[ . 1 . 2]" 3
14 1 3 THR HB 1 62 GLY QA . . 3.700 2.571 2.267 2.804 . 0 0 "[ . 1 . 2]" 3
15 1 3 THR MG 1 62 GLY QA . . 3.260 2.331 1.927 2.822 . 0 0 "[ . 1 . 2]" 3
16 1 4 ALA H 1 19 VAL QG . . 3.530 3.255 2.861 3.565 0.035 18 0 "[ . 1 . 2]" 3
17 1 4 ALA MB 1 19 VAL QG . . 3.190 1.906 1.693 2.207 . 0 0 "[ . 1 . 2]" 3
18 1 5 ASN H 1 5 ASN QB . . 3.120 2.494 2.440 2.549 . 0 0 "[ . 1 . 2]" 3
19 1 5 ASN HA 1 13 VAL QG . . 3.760 3.505 3.258 3.695 . 0 0 "[ . 1 . 2]" 3
20 1 5 ASN QB 1 5 ASN HD21 . . 2.870 2.248 2.196 2.265 . 0 0 "[ . 1 . 2]" 3
21 1 5 ASN QB 1 5 ASN HD22 . . 3.380 3.214 3.213 3.214 . 0 0 "[ . 1 . 2]" 3
22 1 5 ASN QB 1 6 ILE H . . 3.510 3.291 3.132 3.372 . 0 0 "[ . 1 . 2]" 3
23 1 5 ASN QB 1 7 LEU QD . . 3.990 3.376 3.114 3.520 . 0 0 "[ . 1 . 2]" 3
24 1 5 ASN QB 1 13 VAL QG . . 2.980 2.441 2.274 2.525 . 0 0 "[ . 1 . 2]" 3
25 1 5 ASN QB 1 60 ALA MB . . 3.900 2.503 2.073 2.711 . 0 0 "[ . 1 . 2]" 3
26 1 5 ASN HD21 1 7 LEU QD . . 5.440 4.493 4.128 4.843 . 0 0 "[ . 1 . 2]" 3
27 1 5 ASN HD21 1 13 VAL QG . . 3.560 2.921 2.189 3.303 . 0 0 "[ . 1 . 2]" 3
28 1 5 ASN HD21 1 62 GLY QA . . 4.460 3.004 2.538 3.750 . 0 0 "[ . 1 . 2]" 3
29 1 5 ASN HD22 1 13 VAL QG . . 3.580 3.470 3.074 3.583 0.003 9 0 "[ . 1 . 2]" 3
30 1 5 ASN HD22 1 62 GLY QA . . 4.480 2.590 2.093 3.154 . 0 0 "[ . 1 . 2]" 3
31 1 6 ILE H 1 6 ILE QG . . 3.310 2.981 2.877 3.252 . 0 0 "[ . 1 . 2]" 3
32 1 6 ILE H 1 29 VAL QG . . 4.330 4.402 4.248 4.552 0.222 12 0 "[ . 1 . 2]" 3
33 1 6 ILE HB 1 29 VAL QG . . 4.240 2.612 2.481 2.939 . 0 0 "[ . 1 . 2]" 3
34 1 6 ILE QG 1 6 ILE MG . . 3.200 2.328 2.308 2.341 . 0 0 "[ . 1 . 2]" 3
35 1 6 ILE MG 1 14 ILE QG . . 3.240 2.108 1.923 2.236 . 0 0 "[ . 1 . 2]" 3
36 1 6 ILE MG 1 29 VAL QG . . 3.450 1.804 1.731 1.911 . 0 0 "[ . 1 . 2]" 3
37 1 6 ILE MG 1 57 GLU QB . . 3.760 2.985 2.724 3.333 . 0 0 "[ . 1 . 2]" 3
38 1 6 ILE MG 1 57 GLU QG . . 4.250 4.039 3.782 4.265 0.015 20 0 "[ . 1 . 2]" 3
39 1 6 ILE QG 1 7 LEU H . . 4.360 4.419 4.389 4.467 0.107 9 0 "[ . 1 . 2]" 3
40 1 6 ILE QG 1 15 ALA H . . 5.340 4.876 4.761 4.969 . 0 0 "[ . 1 . 2]" 3
41 1 6 ILE QG 1 15 ALA MB . . 3.530 3.112 2.940 3.224 . 0 0 "[ . 1 . 2]" 3
42 1 6 ILE QG 1 27 ILE MG . . 3.400 2.675 2.405 2.945 . 0 0 "[ . 1 . 2]" 3
43 1 6 ILE QG 1 35 TYR QD . . 4.040 3.102 2.607 3.324 . 0 0 "[ . 1 . 2]" 3
44 1 6 ILE QG 1 35 TYR QE . . 5.340 4.861 4.458 5.112 . 0 0 "[ . 1 . 2]" 3
45 1 6 ILE QG 1 37 ILE MD . . 3.840 3.309 3.166 3.539 . 0 0 "[ . 1 . 2]" 3
46 1 6 ILE MD 1 35 TYR QB . . 4.400 2.867 2.619 3.226 . 0 0 "[ . 1 . 2]" 3
47 1 7 LEU H 1 7 LEU QB . . 3.250 2.953 2.907 3.023 . 0 0 "[ . 1 . 2]" 3
48 1 7 LEU H 1 7 LEU QD . . 3.660 1.992 1.907 2.223 . 0 0 "[ . 1 . 2]" 3
49 1 7 LEU HA 1 7 LEU QD . . 3.420 3.312 3.301 3.326 . 0 0 "[ . 1 . 2]" 3
50 1 7 LEU QB 1 8 ASN H . . 3.600 2.475 2.411 2.535 . 0 0 "[ . 1 . 2]" 3
51 1 7 LEU QB 1 11 GLU H . . 3.620 3.642 3.599 3.667 0.047 7 0 "[ . 1 . 2]" 3
52 1 7 LEU QB 1 11 GLU HA . . 3.080 2.394 2.299 2.474 . 0 0 "[ . 1 . 2]" 3
53 1 7 LEU QB 1 12 VAL H . . 4.070 2.833 2.521 2.956 . 0 0 "[ . 1 . 2]" 3
54 1 7 LEU QD 1 8 ASN H . . 4.560 3.937 3.888 3.999 . 0 0 "[ . 1 . 2]" 3
55 1 7 LEU QD 1 11 GLU H . . 4.290 4.321 4.311 4.333 0.043 18 0 "[ . 1 . 2]" 3
56 1 7 LEU QD 1 11 GLU HA . . 3.480 2.716 2.683 2.756 . 0 0 "[ . 1 . 2]" 3
57 1 7 LEU QD 1 11 GLU HB2 . . 5.330 4.107 4.019 4.250 . 0 0 "[ . 1 . 2]" 3
58 1 7 LEU QD 1 11 GLU HB3 . . 5.440 3.110 3.036 3.233 . 0 0 "[ . 1 . 2]" 3
59 1 7 LEU QD 1 12 VAL H . . 4.640 3.809 3.577 3.922 . 0 0 "[ . 1 . 2]" 3
60 1 7 LEU QD 1 12 VAL HA . . 4.670 3.526 3.349 3.636 . 0 0 "[ . 1 . 2]" 3
61 1 7 LEU QD 1 13 VAL H . . 4.300 3.130 2.953 3.273 . 0 0 "[ . 1 . 2]" 3
62 1 7 LEU QD 1 13 VAL HA . . 4.030 3.019 2.689 3.246 . 0 0 "[ . 1 . 2]" 3
63 1 7 LEU QD 1 14 ILE H . . 5.440 4.439 4.200 4.600 . 0 0 "[ . 1 . 2]" 3
64 1 7 LEU QD 1 60 ALA H . . 4.860 3.270 2.939 3.571 . 0 0 "[ . 1 . 2]" 3
65 1 7 LEU QD 1 60 ALA MB . . 3.710 1.914 1.757 2.122 . 0 0 "[ . 1 . 2]" 3
66 1 8 ASN H 1 8 ASN QB . . 3.270 2.861 2.722 2.921 . 0 0 "[ . 1 . 2]" 3
67 1 8 ASN H 1 10 ASN QB . . 5.340 4.611 4.435 4.722 . 0 0 "[ . 1 . 2]" 3
68 1 8 ASN H 1 12 VAL QG . . 4.020 3.884 3.851 3.952 . 0 0 "[ . 1 . 2]" 3
69 1 8 ASN HA 1 57 GLU QG . . 4.180 3.055 2.678 3.634 . 0 0 "[ . 1 . 2]" 3
70 1 8 ASN QB 1 8 ASN HD22 . . 3.340 3.237 3.213 3.332 . 0 0 "[ . 1 . 2]" 3
71 1 8 ASN QB 1 9 ILE H . . 2.700 1.915 1.827 2.157 . 0 0 "[ . 1 . 2]" 3
72 1 8 ASN QB 1 10 ASN H . . 4.310 2.762 2.168 3.221 . 0 0 "[ . 1 . 2]" 3
73 1 8 ASN QB 1 12 VAL H . . 4.370 4.124 3.668 4.376 0.006 19 0 "[ . 1 . 2]" 3
74 1 8 ASN QB 1 14 ILE MD . . 3.560 2.239 1.948 3.628 0.068 16 0 "[ . 1 . 2]" 3
75 1 8 ASN QB 1 57 GLU QG . . 4.760 3.882 3.530 4.454 . 0 0 "[ . 1 . 2]" 3
76 1 8 ASN HD21 1 10 ASN QB . . 5.340 4.001 2.863 4.640 . 0 0 "[ . 1 . 2]" 3
77 1 8 ASN HD22 1 10 ASN QB . . 4.430 3.314 2.368 4.449 0.019 16 0 "[ . 1 . 2]" 3
78 1 8 ASN HD22 1 12 VAL QG . . 4.280 2.712 2.397 3.111 . 0 0 "[ . 1 . 2]" 3
79 1 9 ILE H 1 9 ILE QG . . 3.900 3.958 3.947 3.984 0.084 10 0 "[ . 1 . 2]" 3
80 1 9 ILE H 1 10 ASN QB . . 4.460 4.455 4.377 4.602 0.142 19 0 "[ . 1 . 2]" 3
81 1 9 ILE HA 1 9 ILE QG . . 3.190 2.206 2.161 2.241 . 0 0 "[ . 1 . 2]" 3
82 1 9 ILE HB 1 56 GLY QA . . 3.900 2.041 1.976 2.439 . 0 0 "[ . 1 . 2]" 3
83 1 9 ILE MG 1 10 ASN QD . . 3.720 3.397 1.850 3.768 0.048 2 0 "[ . 1 . 2]" 3
84 1 9 ILE QG 1 10 ASN H . . 4.460 4.147 4.107 4.185 . 0 0 "[ . 1 . 2]" 3
85 1 9 ILE QG 1 56 GLY QA . . 4.440 2.616 2.219 3.637 . 0 0 "[ . 1 . 2]" 3
86 1 9 ILE MD 1 56 GLY QA . . 3.580 2.274 2.045 2.414 . 0 0 "[ . 1 . 2]" 3
87 1 10 ASN H 1 10 ASN QB . . 2.840 2.295 2.157 2.353 . 0 0 "[ . 1 . 2]" 3
88 1 10 ASN H 1 12 VAL QG . . 3.560 3.665 3.587 3.731 0.171 20 0 "[ . 1 . 2]" 3
89 1 10 ASN QB 1 10 ASN QD . . 3.100 2.243 2.064 2.573 . 0 0 "[ . 1 . 2]" 3
90 1 10 ASN QB 1 11 GLU H . . 3.850 3.569 3.518 3.610 . 0 0 "[ . 1 . 2]" 3
91 1 10 ASN QB 1 12 VAL H . . 4.100 3.180 3.060 3.432 . 0 0 "[ . 1 . 2]" 3
92 1 11 GLU H 1 11 GLU QG . . 3.460 2.656 2.510 2.740 . 0 0 "[ . 1 . 2]" 3
93 1 11 GLU QG 1 12 VAL H . . 4.730 4.406 4.374 4.475 . 0 0 "[ . 1 . 2]" 3
94 1 12 VAL H 1 12 VAL QG . . 2.780 2.281 2.195 2.407 . 0 0 "[ . 1 . 2]" 3
95 1 12 VAL HA 1 12 VAL QG . . 2.630 2.137 2.068 2.164 . 0 0 "[ . 1 . 2]" 3
96 1 13 VAL H 1 13 VAL QG . . 3.480 1.992 1.911 2.115 . 0 0 "[ . 1 . 2]" 3
97 1 13 VAL HA 1 13 VAL QG . . 2.890 2.090 2.054 2.138 . 0 0 "[ . 1 . 2]" 3
98 1 13 VAL QG 1 14 ILE H . . 3.520 2.668 2.586 2.826 . 0 0 "[ . 1 . 2]" 3
99 1 13 VAL QG 1 15 ALA H . . 3.190 2.694 2.584 2.921 . 0 0 "[ . 1 . 2]" 3
100 1 13 VAL QG 1 16 THR HA . . 4.770 4.110 3.945 4.261 . 0 0 "[ . 1 . 2]" 3
101 1 13 VAL QG 1 16 THR HB . . 4.030 4.088 4.064 4.158 0.128 9 0 "[ . 1 . 2]" 3
102 1 13 VAL QG 1 16 THR MG . . 4.530 2.102 2.026 2.354 . 0 0 "[ . 1 . 2]" 3
103 1 14 ILE H 1 14 ILE QG . . 3.090 1.957 1.903 2.050 . 0 0 "[ . 1 . 2]" 3
104 1 14 ILE HA 1 14 ILE QG . . 3.560 3.283 3.255 3.296 . 0 0 "[ . 1 . 2]" 3
105 1 14 ILE QG 1 14 ILE MG . . 3.180 2.248 2.171 2.305 . 0 0 "[ . 1 . 2]" 3
106 1 14 ILE QG 1 15 ALA H . . 3.470 2.406 2.158 2.542 . 0 0 "[ . 1 . 2]" 3
107 1 14 ILE QG 1 15 ALA MB . . 4.050 2.667 2.561 2.891 . 0 0 "[ . 1 . 2]" 3
108 1 14 ILE MD 1 57 GLU QB . . 4.520 3.990 3.520 4.327 . 0 0 "[ . 1 . 2]" 3
109 1 14 ILE MD 1 57 GLU QG . . 4.010 3.569 3.285 3.772 . 0 0 "[ . 1 . 2]" 3
110 1 15 ALA H 1 29 VAL QG . . 5.440 3.345 3.158 3.565 . 0 0 "[ . 1 . 2]" 3
111 1 17 GLY H 1 27 ILE QG . . 5.310 2.864 2.687 3.805 . 0 0 "[ . 1 . 2]" 3
112 1 17 GLY QA 1 25 LEU MD2 . . 3.100 2.920 2.762 3.327 0.227 9 0 "[ . 1 . 2]" 3
113 1 17 GLY QA 1 27 ILE QG . . 3.620 1.865 1.838 2.081 . 0 0 "[ . 1 . 2]" 3
114 1 17 GLY QA 1 27 ILE MD . . 3.670 2.770 1.872 2.904 . 0 0 "[ . 1 . 2]" 3
115 1 18 CYS QB 1 19 VAL H . . 4.040 3.664 3.339 3.842 . 0 0 "[ . 1 . 2]" 3
116 1 18 CYS QB 1 65 CYS QB . . 4.320 3.731 2.677 4.096 . 0 0 "[ . 1 . 2]" 3
117 1 19 VAL H 1 19 VAL QG . . 3.540 2.415 2.019 2.645 . 0 0 "[ . 1 . 2]" 3
118 1 19 VAL HA 1 19 VAL QG . . 3.080 2.062 2.011 2.130 . 0 0 "[ . 1 . 2]" 3
119 1 19 VAL HA 1 25 LEU QB . . 4.530 2.633 2.384 3.010 . 0 0 "[ . 1 . 2]" 3
120 1 19 VAL HB 1 45 LEU QD . . 4.120 3.581 2.809 4.144 0.024 7 0 "[ . 1 . 2]" 3
121 1 19 VAL QG 1 20 PRO QD . . 4.590 2.187 1.946 2.771 . 0 0 "[ . 1 . 2]" 3
122 1 19 VAL QG 1 24 ASN H . . 5.440 4.149 3.685 4.751 . 0 0 "[ . 1 . 2]" 3
123 1 19 VAL QG 1 24 ASN HA . . 3.290 2.332 1.918 2.890 . 0 0 "[ . 1 . 2]" 3
124 1 19 VAL QG 1 25 LEU H . . 3.120 2.772 2.313 3.143 0.023 5 0 "[ . 1 . 2]" 3
125 1 19 VAL QG 1 25 LEU QB . . 2.950 2.633 2.398 2.937 . 0 0 "[ . 1 . 2]" 3
126 1 19 VAL QG 1 37 ILE HB . . 3.880 2.282 2.025 2.543 . 0 0 "[ . 1 . 2]" 3
127 1 19 VAL QG 1 37 ILE MG . . 2.960 1.888 1.797 2.084 . 0 0 "[ . 1 . 2]" 3
128 1 19 VAL QG 1 38 ARG H . . 3.260 3.334 3.275 3.418 0.158 13 0 "[ . 1 . 2]" 3
129 1 19 VAL QG 1 39 ALA H . . 3.240 2.304 2.098 2.850 . 0 0 "[ . 1 . 2]" 3
130 1 19 VAL QG 1 39 ALA HA . . 4.390 3.427 3.201 3.575 . 0 0 "[ . 1 . 2]" 3
131 1 19 VAL QG 1 39 ALA MB . . 3.930 1.864 1.828 1.910 . 0 0 "[ . 1 . 2]" 3
132 1 20 PRO QB 1 23 GLY H . . 3.670 3.683 3.598 3.726 0.056 9 0 "[ . 1 . 2]" 3
133 1 20 PRO QB 1 23 GLY QA . . 3.220 3.202 3.110 3.290 0.070 5 0 "[ . 1 . 2]" 3
134 1 20 PRO QB 1 24 ASN H . . 5.340 4.681 4.021 5.160 . 0 0 "[ . 1 . 2]" 3
135 1 20 PRO QG 1 23 GLY QA . . 4.130 2.187 1.979 2.336 . 0 0 "[ . 1 . 2]" 3
136 1 20 PRO QG 1 24 ASN H . . 4.030 2.806 2.153 3.261 . 0 0 "[ . 1 . 2]" 3
137 1 20 PRO QD 1 23 GLY H . . 4.640 4.593 4.443 4.663 0.023 6 0 "[ . 1 . 2]" 3
138 1 20 PRO QD 1 25 LEU H . . 5.070 3.701 3.166 4.067 . 0 0 "[ . 1 . 2]" 3
139 1 20 PRO QD 1 25 LEU QB . . 3.910 2.422 2.049 2.777 . 0 0 "[ . 1 . 2]" 3
140 1 20 PRO QD 1 25 LEU MD1 . . 4.540 3.022 2.647 3.374 . 0 0 "[ . 1 . 2]" 3
141 1 21 ALA MB 1 41 VAL QG . . 5.310 3.525 3.124 3.717 . 0 0 "[ . 1 . 2]" 3
142 1 22 GLY H 1 41 VAL QG . . 4.320 4.231 3.827 4.379 0.059 4 0 "[ . 1 . 2]" 3
143 1 22 GLY QA 1 39 ALA MB . . 5.330 4.535 4.310 4.684 . 0 0 "[ . 1 . 2]" 3
144 1 22 GLY QA 1 41 VAL H . . 4.160 3.410 2.945 3.861 . 0 0 "[ . 1 . 2]" 3
145 1 22 GLY QA 1 41 VAL QG . . 3.440 3.149 2.414 3.493 0.053 13 0 "[ . 1 . 2]" 3
146 1 23 GLY QA 1 24 ASN H . . 2.600 2.246 2.180 2.283 . 0 0 "[ . 1 . 2]" 3
147 1 24 ASN H 1 24 ASN QB . . 3.610 3.121 3.054 3.184 . 0 0 "[ . 1 . 2]" 3
148 1 24 ASN H 1 24 ASN QD . . 4.590 3.588 1.936 4.572 . 0 0 "[ . 1 . 2]" 3
149 1 24 ASN HA 1 24 ASN QD . . 4.600 4.072 3.579 4.326 . 0 0 "[ . 1 . 2]" 3
150 1 24 ASN QB 1 24 ASN QD . . 3.060 2.142 2.063 2.509 . 0 0 "[ . 1 . 2]" 3
151 1 24 ASN QB 1 25 LEU H . . 3.370 2.662 2.551 2.788 . 0 0 "[ . 1 . 2]" 3
152 1 24 ASN QB 1 36 LEU QD . . 3.200 2.436 2.105 2.678 . 0 0 "[ . 1 . 2]" 3
153 1 24 ASN QB 1 38 ARG HA . . 3.890 2.767 2.111 3.285 . 0 0 "[ . 1 . 2]" 3
154 1 24 ASN QB 1 38 ARG QG . . 3.470 3.227 1.835 3.663 0.193 17 0 "[ . 1 . 2]" 3
155 1 24 ASN QB 1 39 ALA H . . 4.690 3.886 3.411 4.272 . 0 0 "[ . 1 . 2]" 3
156 1 24 ASN QD 1 36 LEU QD . . 4.030 2.939 1.814 4.004 . 0 0 "[ . 1 . 2]" 3
157 1 25 LEU H 1 25 LEU QB . . 3.160 2.677 2.651 2.710 . 0 0 "[ . 1 . 2]" 3
158 1 25 LEU QB 1 25 LEU MD2 . . 3.020 1.921 1.864 1.931 . 0 0 "[ . 1 . 2]" 3
159 1 25 LEU QB 1 26 ILE H . . 3.690 3.488 3.465 3.497 . 0 0 "[ . 1 . 2]" 3
160 1 26 ILE H 1 26 ILE QG . . 3.380 2.500 2.180 3.115 . 0 0 "[ . 1 . 2]" 3
161 1 26 ILE HA 1 26 ILE QG . . 3.490 2.446 2.341 2.506 . 0 0 "[ . 1 . 2]" 3
162 1 26 ILE MG 1 34 SER QB . . 3.070 2.366 1.934 2.616 . 0 0 "[ . 1 . 2]" 3
163 1 26 ILE QG 1 27 ILE H . . 4.480 4.204 4.086 4.292 . 0 0 "[ . 1 . 2]" 3
164 1 26 ILE QG 1 36 LEU HG . . 4.830 3.952 1.939 4.346 . 0 0 "[ . 1 . 2]" 3
165 1 26 ILE QG 1 36 LEU QD . . 3.420 1.838 1.732 2.336 . 0 0 "[ . 1 . 2]" 3
166 1 26 ILE MD 1 36 LEU QD . . 2.840 2.852 2.655 2.921 0.081 8 0 "[ . 1 . 2]" 3
167 1 27 ILE H 1 27 ILE QG . . 3.660 3.490 2.616 3.702 0.042 13 0 "[ . 1 . 2]" 3
168 1 27 ILE H 1 35 TYR QB . . 4.890 4.188 3.983 4.359 . 0 0 "[ . 1 . 2]" 3
169 1 27 ILE HA 1 27 ILE QG . . 3.400 2.206 2.120 3.114 . 0 0 "[ . 1 . 2]" 3
170 1 27 ILE HB 1 35 TYR QB . . 4.430 3.604 3.428 3.772 . 0 0 "[ . 1 . 2]" 3
171 1 27 ILE QG 1 27 ILE MG . . 2.760 2.026 1.939 2.191 . 0 0 "[ . 1 . 2]" 3
172 1 27 ILE QG 1 28 ARG H . . 4.720 4.025 3.894 4.780 0.060 9 0 "[ . 1 . 2]" 3
173 1 28 ARG H 1 28 ARG QB . . 3.050 2.244 2.120 2.472 . 0 0 "[ . 1 . 2]" 3
174 1 28 ARG H 1 28 ARG QG . . 3.670 3.562 2.427 3.811 0.141 9 0 "[ . 1 . 2]" 3
175 1 28 ARG H 1 28 ARG QD . . 4.310 2.889 1.827 4.549 0.239 18 0 "[ . 1 . 2]" 3
176 1 28 ARG HA 1 28 ARG QG . . 3.680 2.600 2.158 3.416 . 0 0 "[ . 1 . 2]" 3
177 1 28 ARG HA 1 29 VAL QG . . 5.020 3.600 3.321 3.722 . 0 0 "[ . 1 . 2]" 3
178 1 28 ARG QB 1 29 VAL H . . 4.340 3.525 3.172 3.780 . 0 0 "[ . 1 . 2]" 3
179 1 28 ARG QG 1 29 VAL H . . 3.830 3.818 3.257 3.918 0.088 9 0 "[ . 1 . 2]" 3
180 1 28 ARG QG 1 34 SER QB . . 4.320 2.891 1.970 4.429 0.109 1 0 "[ . 1 . 2]" 3
181 1 28 ARG QD 1 29 VAL H . . 4.630 4.246 2.442 4.895 0.265 1 0 "[ . 1 . 2]" 3
182 1 29 VAL H 1 29 VAL QG . . 3.140 2.316 1.905 2.587 . 0 0 "[ . 1 . 2]" 3
183 1 29 VAL QG 1 35 TYR QD . . 3.600 1.943 1.873 2.053 . 0 0 "[ . 1 . 2]" 3
184 1 29 VAL QG 1 35 TYR QE . . 3.680 2.659 1.957 3.131 . 0 0 "[ . 1 . 2]" 3
185 1 30 GLY H 1 30 GLY QA . . 2.570 2.201 2.190 2.267 . 0 0 "[ . 1 . 2]" 3
186 1 30 GLY QA 1 32 ASP H . . 3.700 3.228 2.926 3.632 . 0 0 "[ . 1 . 2]" 3
187 1 31 SER QB 1 32 ASP H . . 3.990 3.628 2.903 3.988 . 0 0 "[ . 1 . 2]" 3
188 1 32 ASP H 1 32 ASP QB . . 3.390 2.532 2.221 3.390 . 0 0 "[ . 1 . 2]" 3
189 1 32 ASP QB 1 33 HIS H . . 4.170 2.639 1.943 4.005 . 0 0 "[ . 1 . 2]" 3
190 1 33 HIS QB 1 34 SER H . . 2.920 2.156 1.902 2.361 . 0 0 "[ . 1 . 2]" 3
191 1 33 HIS QB 1 54 ILE MD . . 4.420 3.755 3.291 4.436 0.016 12 0 "[ . 1 . 2]" 3
192 1 33 HIS HD2 1 54 ILE QG . . 5.010 4.389 3.195 5.019 0.009 1 0 "[ . 1 . 2]" 3
193 1 34 SER H 1 34 SER QB . . 3.670 3.148 2.894 3.324 . 0 0 "[ . 1 . 2]" 3
194 1 34 SER QB 1 35 TYR H . . 3.030 2.957 2.806 3.010 . 0 0 "[ . 1 . 2]" 3
195 1 35 TYR H 1 35 TYR QB . . 3.080 2.572 2.404 2.675 . 0 0 "[ . 1 . 2]" 3
196 1 35 TYR HA 1 47 LEU QD . . 5.050 3.748 3.417 4.005 . 0 0 "[ . 1 . 2]" 3
197 1 35 TYR HA 1 51 GLN QE . . 3.960 3.329 2.484 3.963 0.003 20 0 "[ . 1 . 2]" 3
198 1 35 TYR QB 1 36 LEU H . . 3.320 3.053 2.597 3.140 . 0 0 "[ . 1 . 2]" 3
199 1 35 TYR QB 1 47 LEU HG . . 4.720 4.628 4.342 4.754 0.034 20 0 "[ . 1 . 2]" 3
200 1 35 TYR QB 1 47 LEU QD . . 3.190 2.371 2.133 2.569 . 0 0 "[ . 1 . 2]" 3
201 1 35 TYR QD 1 47 LEU QD . . 3.350 2.736 2.209 3.026 . 0 0 "[ . 1 . 2]" 3
202 1 35 TYR QE 1 57 GLU QB . . 5.340 3.493 3.126 4.151 . 0 0 "[ . 1 . 2]" 3
203 1 36 LEU H 1 36 LEU QB . . 2.800 2.252 2.170 2.317 . 0 0 "[ . 1 . 2]" 3
204 1 36 LEU H 1 36 LEU QD . . 4.680 3.668 3.425 3.806 . 0 0 "[ . 1 . 2]" 3
205 1 36 LEU H 1 47 LEU QD . . 3.610 3.346 2.967 3.628 0.018 8 0 "[ . 1 . 2]" 3
206 1 36 LEU H 1 51 GLN QE . . 3.860 2.467 1.855 3.584 . 0 0 "[ . 1 . 2]" 3
207 1 36 LEU HA 1 36 LEU QD . . 3.810 1.942 1.874 2.161 . 0 0 "[ . 1 . 2]" 3
208 1 36 LEU HA 1 51 GLN QE . . 4.790 3.759 3.431 4.201 . 0 0 "[ . 1 . 2]" 3
209 1 36 LEU QB 1 36 LEU QD . . 2.850 1.959 1.927 2.044 . 0 0 "[ . 1 . 2]" 3
210 1 36 LEU QB 1 48 ASN H . . 4.540 3.232 2.648 3.508 . 0 0 "[ . 1 . 2]" 3
211 1 36 LEU QB 1 48 ASN QB . . 3.100 2.041 1.883 2.216 . 0 0 "[ . 1 . 2]" 3
212 1 36 LEU HG 1 48 ASN QB . . 3.840 3.029 2.491 3.849 0.009 20 0 "[ . 1 . 2]" 3
213 1 36 LEU QD 1 37 ILE H . . 3.330 2.434 1.872 2.900 . 0 0 "[ . 1 . 2]" 3
214 1 36 LEU QD 1 48 ASN QB . . 3.950 2.562 1.877 3.556 . 0 0 "[ . 1 . 2]" 3
215 1 37 ILE HA 1 47 LEU QD . . 5.440 3.975 3.545 4.411 . 0 0 "[ . 1 . 2]" 3
216 1 37 ILE MG 1 47 LEU QD . . 4.720 4.351 3.916 4.725 0.005 15 0 "[ . 1 . 2]" 3
217 1 37 ILE MD 1 47 LEU QD . . 4.020 2.328 1.932 2.812 . 0 0 "[ . 1 . 2]" 3
218 1 38 ARG H 1 38 ARG QB . . 3.310 2.865 2.443 3.082 . 0 0 "[ . 1 . 2]" 3
219 1 38 ARG H 1 38 ARG QG . . 3.300 2.429 2.273 2.695 . 0 0 "[ . 1 . 2]" 3
220 1 38 ARG H 1 38 ARG QD . . 3.680 3.317 1.941 3.733 0.053 13 0 "[ . 1 . 2]" 3
221 1 38 ARG QB 1 39 ALA H . . 3.230 2.566 2.222 2.739 . 0 0 "[ . 1 . 2]" 3
222 1 38 ARG QG 1 39 ALA H . . 3.670 3.594 3.383 3.796 0.126 6 0 "[ . 1 . 2]" 3
223 1 38 ARG QD 1 48 ASN H . . 4.290 3.651 2.896 4.191 . 0 0 "[ . 1 . 2]" 3
224 1 38 ARG QD 1 48 ASN HA . . 4.120 2.770 2.307 3.147 . 0 0 "[ . 1 . 2]" 3
225 1 38 ARG QD 1 49 PRO QD . . 4.200 3.623 3.193 3.987 . 0 0 "[ . 1 . 2]" 3
226 1 39 ALA HA 1 45 LEU QD . . 5.310 4.279 4.150 4.458 . 0 0 "[ . 1 . 2]" 3
227 1 39 ALA MB 1 44 GLY QA . . 3.930 3.849 3.382 4.057 0.127 11 0 "[ . 1 . 2]" 3
228 1 39 ALA MB 1 45 LEU QD . . 3.340 3.182 2.710 3.387 0.047 3 0 "[ . 1 . 2]" 3
229 1 40 THR H 1 44 GLY QA . . 4.310 3.222 2.297 3.919 . 0 0 "[ . 1 . 2]" 3
230 1 40 THR H 1 45 LEU QD . . 5.440 5.459 5.382 5.493 0.053 11 0 "[ . 1 . 2]" 3
231 1 41 VAL QG 1 42 SER H . . 4.320 2.900 2.109 3.523 . 0 0 "[ . 1 . 2]" 3
232 1 41 VAL QG 1 43 CYS H . . 4.730 4.184 3.915 4.451 . 0 0 "[ . 1 . 2]" 3
233 1 42 SER QB 1 43 CYS H . . 4.470 3.730 3.389 3.973 . 0 0 "[ . 1 . 2]" 3
234 1 44 GLY QA 1 45 LEU H . . 2.630 2.137 2.111 2.282 . 0 0 "[ . 1 . 2]" 3
235 1 45 LEU H 1 45 LEU QB . . 2.610 2.410 2.068 2.609 . 0 0 "[ . 1 . 2]" 3
236 1 45 LEU H 1 45 LEU QD . . 3.790 2.542 2.012 3.535 . 0 0 "[ . 1 . 2]" 3
237 1 45 LEU HA 1 45 LEU QD . . 2.940 1.989 1.908 2.080 . 0 0 "[ . 1 . 2]" 3
238 1 45 LEU QB 1 45 LEU QD . . 2.530 1.942 1.914 1.967 . 0 0 "[ . 1 . 2]" 3
239 1 45 LEU QB 1 46 SER H . . 3.910 2.951 2.579 3.342 . 0 0 "[ . 1 . 2]" 3
240 1 45 LEU QB 1 59 LEU MD1 . . 3.470 2.687 2.461 2.933 . 0 0 "[ . 1 . 2]" 3
241 1 45 LEU QB 1 59 LEU MD2 . . 3.540 3.314 3.013 3.556 0.016 18 0 "[ . 1 . 2]" 3
242 1 45 LEU QD 1 46 SER H . . 3.500 3.349 3.004 3.542 0.042 11 0 "[ . 1 . 2]" 3
243 1 45 LEU QD 1 59 LEU MD1 . . 3.550 2.943 2.119 3.394 . 0 0 "[ . 1 . 2]" 3
244 1 45 LEU QD 1 60 ALA HA . . 3.300 3.256 3.072 3.373 0.073 18 0 "[ . 1 . 2]" 3
245 1 45 LEU QD 1 62 GLY H . . 3.890 3.288 3.009 3.477 . 0 0 "[ . 1 . 2]" 3
246 1 47 LEU H 1 47 LEU QB . . 2.640 2.358 2.281 2.440 . 0 0 "[ . 1 . 2]" 3
247 1 47 LEU H 1 47 LEU QD . . 4.090 3.813 3.759 3.884 . 0 0 "[ . 1 . 2]" 3
248 1 47 LEU HA 1 47 LEU QD . . 3.300 2.697 2.594 2.789 . 0 0 "[ . 1 . 2]" 3
249 1 47 LEU QB 1 51 GLN QB . . 5.180 4.964 4.778 5.136 . 0 0 "[ . 1 . 2]" 3
250 1 47 LEU QB 1 53 PHE QE . . 4.260 2.411 1.993 2.796 . 0 0 "[ . 1 . 2]" 3
251 1 47 LEU QB 1 53 PHE HZ . . 4.230 2.290 2.079 2.735 . 0 0 "[ . 1 . 2]" 3
252 1 47 LEU QB 1 59 LEU MD1 . . 3.320 2.349 2.170 2.482 . 0 0 "[ . 1 . 2]" 3
253 1 47 LEU HG 1 51 GLN QB . . 3.860 3.130 2.942 3.295 . 0 0 "[ . 1 . 2]" 3
254 1 47 LEU QD 1 48 ASN H . . 3.050 3.032 2.975 3.109 0.059 20 0 "[ . 1 . 2]" 3
255 1 47 LEU QD 1 51 GLN QB . . 3.690 2.837 2.628 2.985 . 0 0 "[ . 1 . 2]" 3
256 1 47 LEU MD1 1 51 GLN HB3 . . 6.020 3.864 3.421 4.257 . 0 0 "[ . 1 . 2]" 3
257 1 47 LEU MD2 1 51 GLN HB3 . . 6.020 3.920 3.572 4.175 . 0 0 "[ . 1 . 2]" 3
258 1 47 LEU QD 1 52 SER H . . 4.330 3.451 3.325 3.663 . 0 0 "[ . 1 . 2]" 3
259 1 47 LEU QD 1 52 SER HA . . 3.420 2.049 1.899 2.555 . 0 0 "[ . 1 . 2]" 3
260 1 47 LEU QD 1 53 PHE H . . 3.580 2.406 2.182 2.903 . 0 0 "[ . 1 . 2]" 3
261 1 47 LEU QD 1 53 PHE QE . . 4.230 2.230 1.981 2.423 . 0 0 "[ . 1 . 2]" 3
262 1 47 LEU QD 1 53 PHE HZ . . 4.640 2.649 2.419 2.881 . 0 0 "[ . 1 . 2]" 3
263 1 48 ASN H 1 49 PRO QD . . 4.730 4.343 4.313 4.347 . 0 0 "[ . 1 . 2]" 3
264 1 48 ASN H 1 51 GLN QB . . 4.740 3.982 3.937 4.108 . 0 0 "[ . 1 . 2]" 3
265 1 48 ASN HA 1 49 PRO QD . . 2.630 2.049 1.979 2.057 . 0 0 "[ . 1 . 2]" 3
266 1 48 ASN HA 1 51 GLN QB . . 5.280 5.296 5.227 5.356 0.076 20 0 "[ . 1 . 2]" 3
267 1 48 ASN QB 1 50 SER H . . 4.720 2.858 2.660 3.039 . 0 0 "[ . 1 . 2]" 3
268 1 48 ASN QB 1 51 GLN H . . 4.250 2.830 2.671 3.121 . 0 0 "[ . 1 . 2]" 3
269 1 48 ASN QB 1 51 GLN QB . . 4.160 3.154 3.026 3.301 . 0 0 "[ . 1 . 2]" 3
270 1 49 PRO QG 1 50 SER H . . 4.310 2.209 2.065 2.695 . 0 0 "[ . 1 . 2]" 3
271 1 49 PRO QD 1 50 SER H . . 3.930 2.616 2.601 2.659 . 0 0 "[ . 1 . 2]" 3
272 1 49 PRO QD 1 51 GLN H . . 4.520 4.235 4.172 4.446 . 0 0 "[ . 1 . 2]" 3
273 1 50 SER QB 1 51 GLN H . . 3.670 3.105 2.965 3.589 . 0 0 "[ . 1 . 2]" 3
274 1 51 GLN H 1 51 GLN QB . . 3.020 2.621 2.565 2.722 . 0 0 "[ . 1 . 2]" 3
275 1 51 GLN H 1 51 GLN QG . . 3.640 2.722 2.573 2.804 . 0 0 "[ . 1 . 2]" 3
276 1 51 GLN HA 1 51 GLN QG . . 3.590 2.506 2.424 2.549 . 0 0 "[ . 1 . 2]" 3
277 1 51 GLN QB 1 51 GLN QE . . 3.720 3.338 2.824 3.567 . 0 0 "[ . 1 . 2]" 3
278 1 51 GLN QB 1 52 SER H . . 2.760 2.350 2.266 2.408 . 0 0 "[ . 1 . 2]" 3
279 1 51 GLN QE 1 51 GLN QG . . 3.100 2.159 2.068 2.219 . 0 0 "[ . 1 . 2]" 3
280 1 51 GLN QG 1 52 SER H . . 4.050 3.960 3.896 4.051 0.001 20 0 "[ . 1 . 2]" 3
281 1 52 SER H 1 52 SER QB . . 3.250 3.251 3.249 3.252 0.002 2 0 "[ . 1 . 2]" 3
282 1 52 SER QB 1 53 PHE H . . 3.070 2.963 2.913 3.010 . 0 0 "[ . 1 . 2]" 3
283 1 53 PHE H 1 53 PHE QB . . 2.890 2.411 2.269 2.478 . 0 0 "[ . 1 . 2]" 3
284 1 53 PHE QB 1 54 ILE H . . 3.650 3.033 2.739 3.202 . 0 0 "[ . 1 . 2]" 3
285 1 53 PHE QB 1 57 GLU H . . 5.340 4.143 3.568 4.636 . 0 0 "[ . 1 . 2]" 3
286 1 53 PHE QB 1 57 GLU QB . . 4.390 3.075 2.392 3.695 . 0 0 "[ . 1 . 2]" 3
287 1 53 PHE QD 1 57 GLU QB . . 4.780 2.717 2.169 3.188 . 0 0 "[ . 1 . 2]" 3
288 1 54 ILE H 1 54 ILE QG . . 3.750 2.262 2.156 2.366 . 0 0 "[ . 1 . 2]" 3
289 1 54 ILE H 1 57 GLU QB . . 4.400 2.625 2.341 3.010 . 0 0 "[ . 1 . 2]" 3
290 1 54 ILE MG 1 55 ASN QD . . 4.840 4.235 3.499 4.573 . 0 0 "[ . 1 . 2]" 3
291 1 54 ILE QG 1 55 ASN H . . 5.130 3.661 3.536 3.790 . 0 0 "[ . 1 . 2]" 3
292 1 54 ILE QG 1 56 GLY H . . 5.170 4.851 4.809 4.893 . 0 0 "[ . 1 . 2]" 3
293 1 54 ILE MD 1 55 ASN QD . . 3.650 2.496 1.966 2.914 . 0 0 "[ . 1 . 2]" 3
294 1 55 ASN QB 1 57 GLU H . . 3.650 3.157 2.866 3.399 . 0 0 "[ . 1 . 2]" 3
295 1 55 ASN QB 1 57 GLU QG . . 3.350 2.456 2.088 2.791 . 0 0 "[ . 1 . 2]" 3
296 1 55 ASN QD 1 57 GLU QG . . 4.320 3.944 2.787 4.460 0.140 12 0 "[ . 1 . 2]" 3
297 1 56 GLY H 1 57 GLU QB . . 5.220 4.477 4.346 4.651 . 0 0 "[ . 1 . 2]" 3
298 1 57 GLU H 1 57 GLU QB . . 2.660 2.460 2.329 2.613 . 0 0 "[ . 1 . 2]" 3
299 1 57 GLU QB 1 58 SER H . . 3.000 2.241 2.109 2.379 . 0 0 "[ . 1 . 2]" 3
300 1 58 SER H 1 58 SER QB . . 3.640 3.342 3.033 3.396 . 0 0 "[ . 1 . 2]" 3
301 1 58 SER QB 1 59 LEU H . . 2.810 2.408 2.335 2.480 . 0 0 "[ . 1 . 2]" 3
302 1 61 SER QB 1 62 GLY H . . 3.710 3.433 3.090 3.660 . 0 0 "[ . 1 . 2]" 3
303 1 63 GLY QA 1 64 ARG H . . 2.900 2.216 2.110 2.756 . 0 0 "[ . 1 . 2]" 3
304 1 64 ARG H 1 64 ARG QB . . 3.130 2.608 2.071 3.099 . 0 0 "[ . 1 . 2]" 3
305 1 64 ARG H 1 64 ARG QG . . 3.590 3.262 2.244 3.767 0.177 18 0 "[ . 1 . 2]" 3
306 1 64 ARG H 1 64 ARG QD . . 4.680 4.053 1.910 4.684 0.004 16 0 "[ . 1 . 2]" 3
307 1 64 ARG HA 1 64 ARG QD . . 3.720 2.879 2.174 3.720 0.000 13 0 "[ . 1 . 2]" 3
308 1 64 ARG QB 1 65 CYS H . . 3.670 2.634 2.263 3.698 0.028 18 0 "[ . 1 . 2]" 3
309 1 64 ARG QG 1 65 CYS H . . 4.070 3.587 2.600 4.061 . 0 0 "[ . 1 . 2]" 3
310 1 64 ARG QD 1 65 CYS H . . 4.010 2.813 1.889 4.015 0.005 20 0 "[ . 1 . 2]" 3
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