NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
565569 |
2m8g   |
19251 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m8g
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 718
_Distance_constraint_stats_list.Viol_count 776
_Distance_constraint_stats_list.Viol_total 350.642
_Distance_constraint_stats_list.Viol_max 0.182
_Distance_constraint_stats_list.Viol_rms 0.0081
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0226
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ASP 0.004 0.004 7 0 "[ . 1 . 2]"
1 19 LEU 0.004 0.004 7 0 "[ . 1 . 2]"
1 20 PRO 0.280 0.049 7 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ILE 3.139 0.156 14 0 "[ . 1 . 2]"
1 24 GLU 0.132 0.132 17 0 "[ . 1 . 2]"
1 25 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 THR 3.017 0.156 14 0 "[ . 1 . 2]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LYS 0.015 0.011 4 0 "[ . 1 . 2]"
1 29 LYS 0.011 0.011 10 0 "[ . 1 . 2]"
1 30 ARG 0.005 0.004 17 0 "[ . 1 . 2]"
1 31 ILE 2.158 0.122 13 0 "[ . 1 . 2]"
1 32 ILE 0.164 0.018 15 0 "[ . 1 . 2]"
1 33 GLU 0.104 0.018 15 0 "[ . 1 . 2]"
1 34 ALA 0.241 0.027 10 0 "[ . 1 . 2]"
1 35 LEU 1.528 0.053 8 0 "[ . 1 . 2]"
1 36 GLU 1.299 0.090 10 0 "[ . 1 . 2]"
1 37 LYS 0.027 0.022 10 0 "[ . 1 . 2]"
1 38 THR 0.269 0.027 10 0 "[ . 1 . 2]"
1 39 GLY 0.098 0.014 6 0 "[ . 1 . 2]"
1 40 TYR 2.840 0.090 10 0 "[ . 1 . 2]"
1 41 VAL 0.205 0.025 16 0 "[ . 1 . 2]"
1 44 ARG 0.143 0.023 19 0 "[ . 1 . 2]"
1 45 ALA 0.285 0.030 12 0 "[ . 1 . 2]"
1 46 ALA 1.641 0.071 16 0 "[ . 1 . 2]"
1 47 LYS 0.359 0.036 15 0 "[ . 1 . 2]"
1 48 LEU 0.390 0.024 9 0 "[ . 1 . 2]"
1 49 LEU 2.035 0.122 13 0 "[ . 1 . 2]"
1 50 GLY 0.016 0.004 2 0 "[ . 1 . 2]"
1 51 TYR 1.913 0.071 16 0 "[ . 1 . 2]"
1 52 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLN 0.426 0.140 14 0 "[ . 1 . 2]"
1 56 LEU 1.813 0.059 8 0 "[ . 1 . 2]"
1 57 ASP 0.038 0.014 13 0 "[ . 1 . 2]"
1 58 TYR 0.799 0.182 13 0 "[ . 1 . 2]"
1 59 ARG 1.417 0.140 14 0 "[ . 1 . 2]"
1 60 ILE 2.134 0.081 14 0 "[ . 1 . 2]"
1 61 LYS 1.151 0.074 6 0 "[ . 1 . 2]"
1 62 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 TYR 1.091 0.057 6 0 "[ . 1 . 2]"
1 64 GLY 1.225 0.074 6 0 "[ . 1 . 2]"
1 65 ILE 0.279 0.025 4 0 "[ . 1 . 2]"
1 66 GLU 0.009 0.005 7 0 "[ . 1 . 2]"
1 67 LEU 0.152 0.014 4 0 "[ . 1 . 2]"
1 68 LYS 0.113 0.014 4 0 "[ . 1 . 2]"
1 69 LYS 0.129 0.113 12 0 "[ . 1 . 2]"
1 70 PHE 0.125 0.113 12 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 31 ILE HA 1 34 ALA MB . . 3.360 3.091 2.962 3.240 . 0 0 "[ . 1 . 2]" 1
2 1 46 ALA MB 1 53 LEU HA . . 3.240 3.044 2.923 3.198 . 0 0 "[ . 1 . 2]" 1
3 1 23 ILE HA 1 23 ILE MD . . 4.290 2.944 1.978 3.867 . 0 0 "[ . 1 . 2]" 1
4 1 23 ILE MG 1 26 THR MG . . 3.900 3.033 2.893 3.588 . 0 0 "[ . 1 . 2]" 1
5 1 23 ILE MD 1 23 ILE MG . . 2.510 2.052 1.933 2.124 . 0 0 "[ . 1 . 2]" 1
6 1 35 LEU MD1 1 65 ILE MD . . 4.200 2.905 2.804 3.007 . 0 0 "[ . 1 . 2]" 1
7 1 35 LEU MD1 1 45 ALA MB . . 4.820 3.285 3.236 3.439 . 0 0 "[ . 1 . 2]" 1
8 1 35 LEU MD2 1 56 LEU QD . . 4.010 2.722 2.550 2.880 . 0 0 "[ . 1 . 2]" 1
9 1 32 ILE HB 1 35 LEU MD1 . . 5.150 4.318 4.212 4.406 . 0 0 "[ . 1 . 2]" 1
10 1 35 LEU MD1 1 67 LEU HG . . 5.500 5.177 4.813 5.302 . 0 0 "[ . 1 . 2]" 1
11 1 35 LEU MD2 1 67 LEU HG . . 4.630 4.547 4.039 4.638 0.008 6 0 "[ . 1 . 2]" 1
12 1 35 LEU MD2 1 40 TYR QD . . 4.770 4.028 3.779 4.156 . 0 0 "[ . 1 . 2]" 1
13 1 35 LEU MD1 1 40 TYR QE . . 5.500 5.446 5.269 5.506 0.006 6 0 "[ . 1 . 2]" 1
14 1 35 LEU HB3 1 40 TYR QD . . 5.380 3.204 3.143 3.309 . 0 0 "[ . 1 . 2]" 1
15 1 35 LEU HB3 1 40 TYR QE . . 5.500 4.802 4.606 4.884 . 0 0 "[ . 1 . 2]" 1
16 1 35 LEU HB3 1 56 LEU QD . . 5.500 5.311 5.176 5.422 . 0 0 "[ . 1 . 2]" 1
17 1 35 LEU HB3 1 60 ILE MD . . 5.500 4.957 4.791 5.078 . 0 0 "[ . 1 . 2]" 1
18 1 35 LEU HB3 1 45 ALA MB . . 5.500 3.796 3.722 3.932 . 0 0 "[ . 1 . 2]" 1
19 1 34 ALA MB 1 35 LEU MD2 . . 4.650 4.500 4.427 4.644 . 0 0 "[ . 1 . 2]" 1
20 1 34 ALA MB 1 56 LEU QD . . 4.000 3.690 3.621 3.766 . 0 0 "[ . 1 . 2]" 1
21 1 34 ALA MB 1 48 LEU MD1 . . 3.670 2.841 2.619 3.083 . 0 0 "[ . 1 . 2]" 1
22 1 34 ALA MB 1 49 LEU MD1 . . 3.210 2.024 1.867 2.209 . 0 0 "[ . 1 . 2]" 1
23 1 34 ALA MB 1 49 LEU MD2 . . 3.210 2.173 1.972 2.338 . 0 0 "[ . 1 . 2]" 1
24 1 34 ALA MB 1 35 LEU HA . . 4.450 3.721 3.655 3.798 . 0 0 "[ . 1 . 2]" 1
25 1 29 LYS HA 1 32 ILE HB . . 4.380 4.107 4.005 4.226 . 0 0 "[ . 1 . 2]" 1
26 1 31 ILE MG 1 32 ILE HB . . 5.210 4.149 4.040 4.263 . 0 0 "[ . 1 . 2]" 1
27 1 32 ILE HA 1 32 ILE MG . . 3.290 3.200 3.198 3.201 . 0 0 "[ . 1 . 2]" 1
28 1 32 ILE HA 1 32 ILE MD . . 4.210 3.415 3.362 3.493 . 0 0 "[ . 1 . 2]" 1
29 1 32 ILE MD 1 32 ILE MG . . 2.690 2.557 2.459 2.614 . 0 0 "[ . 1 . 2]" 1
30 1 35 LEU MD1 1 60 ILE MG . . 3.610 3.555 3.375 3.620 0.010 2 0 "[ . 1 . 2]" 1
31 1 32 ILE MD 1 35 LEU MD1 . . 4.680 4.321 4.188 4.444 . 0 0 "[ . 1 . 2]" 1
32 1 28 LYS HE3 1 32 ILE MD . . 4.270 2.697 2.355 2.973 . 0 0 "[ . 1 . 2]" 1
33 1 32 ILE HB 1 32 ILE MD . . 3.030 2.064 2.042 2.104 . 0 0 "[ . 1 . 2]" 1
34 1 32 ILE HG13 1 35 LEU MD1 . . 4.560 3.878 3.681 4.007 . 0 0 "[ . 1 . 2]" 1
35 1 32 ILE HG13 1 32 ILE MG . . 3.630 3.100 3.079 3.132 . 0 0 "[ . 1 . 2]" 1
36 1 28 LYS HA 1 31 ILE HB . . 4.260 2.965 2.873 3.155 . 0 0 "[ . 1 . 2]" 1
37 1 31 ILE HA 1 31 ILE MD . . 3.620 2.130 2.036 2.176 . 0 0 "[ . 1 . 2]" 1
38 1 31 ILE MD 1 63 TYR QD . . 4.760 4.539 4.389 4.771 0.011 13 0 "[ . 1 . 2]" 1
39 1 31 ILE MD 1 51 TYR QE . . 3.560 2.306 2.158 2.397 . 0 0 "[ . 1 . 2]" 1
40 1 31 ILE HA 1 31 ILE MG . . 3.320 2.363 2.302 2.390 . 0 0 "[ . 1 . 2]" 1
41 1 31 ILE HB 1 65 ILE MD . . 3.330 2.157 2.013 2.299 . 0 0 "[ . 1 . 2]" 1
42 1 31 ILE HG13 1 49 LEU MD1 . . 5.500 4.110 4.042 4.251 . 0 0 "[ . 1 . 2]" 1
43 1 31 ILE HG13 1 49 LEU MD2 . . 5.500 5.026 4.511 5.217 . 0 0 "[ . 1 . 2]" 1
44 1 31 ILE HB 1 31 ILE MD . . 3.370 3.213 3.207 3.228 . 0 0 "[ . 1 . 2]" 1
45 1 31 ILE MD 1 34 ALA MB . . 4.670 4.027 3.915 4.130 . 0 0 "[ . 1 . 2]" 1
46 1 31 ILE MD 1 49 LEU HG . . 4.940 4.248 3.973 4.328 . 0 0 "[ . 1 . 2]" 1
47 1 31 ILE MD 1 59 ARG HG3 . . 4.440 4.006 2.725 4.233 . 0 0 "[ . 1 . 2]" 1
48 1 28 LYS HA 1 31 ILE MD . . 5.500 4.892 4.732 5.019 . 0 0 "[ . 1 . 2]" 1
49 1 31 ILE MD 1 59 ARG HA . . 5.500 5.043 4.976 5.191 . 0 0 "[ . 1 . 2]" 1
50 1 31 ILE MG 1 56 LEU HG . . 4.040 3.077 2.892 3.451 . 0 0 "[ . 1 . 2]" 1
51 1 31 ILE MG 1 35 LEU HG . . 3.810 3.201 3.134 3.322 . 0 0 "[ . 1 . 2]" 1
52 1 31 ILE MD 1 31 ILE MG . . 2.990 1.922 1.891 2.009 . 0 0 "[ . 1 . 2]" 1
53 1 31 ILE MG 1 65 ILE MD . . 2.910 1.887 1.822 2.002 . 0 0 "[ . 1 . 2]" 1
54 1 31 ILE MG 1 56 LEU QD . . 3.570 2.264 1.844 2.449 . 0 0 "[ . 1 . 2]" 1
55 1 31 ILE MG 1 35 LEU MD2 . . 4.090 3.978 3.889 4.091 0.001 16 0 "[ . 1 . 2]" 1
56 1 31 ILE HB 1 49 LEU MD2 . . 5.500 5.017 4.523 5.202 . 0 0 "[ . 1 . 2]" 1
57 1 27 GLU HA 1 30 ARG HB3 . . 4.630 4.249 4.049 4.387 . 0 0 "[ . 1 . 2]" 1
58 1 30 ARG HA 1 30 ARG HD3 . . 4.160 2.378 2.031 3.283 . 0 0 "[ . 1 . 2]" 1
59 1 30 ARG HB3 1 30 ARG HD3 . . 3.900 2.965 2.553 3.375 . 0 0 "[ . 1 . 2]" 1
60 1 26 THR HA 1 26 THR MG . . 3.500 3.182 2.783 3.208 . 0 0 "[ . 1 . 2]" 1
61 1 23 ILE HA 1 26 THR HB . . 4.030 3.974 2.340 4.085 0.055 7 0 "[ . 1 . 2]" 1
62 1 23 ILE HA 1 26 THR MG . . 3.780 2.004 1.887 3.410 . 0 0 "[ . 1 . 2]" 1
63 1 37 LYS HB3 1 38 THR MG . . 5.000 3.612 3.358 3.876 . 0 0 "[ . 1 . 2]" 1
64 1 38 THR HA 1 38 THR MG . . 2.730 2.298 2.191 2.357 . 0 0 "[ . 1 . 2]" 1
65 1 38 THR MG 1 44 ARG HB3 . . 3.120 2.030 1.972 2.225 . 0 0 "[ . 1 . 2]" 1
66 1 34 ALA MB 1 38 THR MG . . 3.690 3.067 2.955 3.224 . 0 0 "[ . 1 . 2]" 1
67 1 38 THR MG 1 48 LEU HB3 . . 3.950 3.278 3.103 3.350 . 0 0 "[ . 1 . 2]" 1
68 1 38 THR MG 1 45 ALA MB . . 3.400 2.984 2.910 3.077 . 0 0 "[ . 1 . 2]" 1
69 1 35 LEU MD2 1 38 THR MG . . 4.730 4.358 4.272 4.472 . 0 0 "[ . 1 . 2]" 1
70 1 35 LEU MD2 1 41 VAL MG1 . . 5.090 4.183 4.030 4.427 . 0 0 "[ . 1 . 2]" 1
71 1 38 THR HA 1 39 GLY HA3 . . 4.740 4.472 4.454 4.487 . 0 0 "[ . 1 . 2]" 1
72 1 37 LYS HA 1 38 THR HA . . 4.860 4.636 4.635 4.638 . 0 0 "[ . 1 . 2]" 1
73 1 38 THR HB 1 41 VAL HB . . 3.920 2.716 2.595 2.886 . 0 0 "[ . 1 . 2]" 1
74 1 38 THR HB 1 44 ARG HB3 . . 3.730 2.324 2.299 2.407 . 0 0 "[ . 1 . 2]" 1
75 1 38 THR HB 1 44 ARG HG3 . . 4.630 4.226 4.142 4.362 . 0 0 "[ . 1 . 2]" 1
76 1 38 THR HA 1 38 THR HB . . 2.590 2.506 2.483 2.537 . 0 0 "[ . 1 . 2]" 1
77 1 35 LEU MD2 1 40 TYR HB3 . . 4.260 4.183 4.000 4.267 0.007 8 0 "[ . 1 . 2]" 1
78 1 40 TYR HB3 1 67 LEU MD2 . . 5.500 4.863 4.613 5.029 . 0 0 "[ . 1 . 2]" 1
79 1 35 LEU HB3 1 40 TYR HB3 . . 5.020 4.742 4.676 4.886 . 0 0 "[ . 1 . 2]" 1
80 1 40 TYR HB3 1 67 LEU HG . . 5.310 3.794 3.367 3.950 . 0 0 "[ . 1 . 2]" 1
81 1 40 TYR HB3 1 67 LEU HA . . 5.070 3.180 2.934 3.420 . 0 0 "[ . 1 . 2]" 1
82 1 40 TYR HB3 1 41 VAL HA . . 5.500 4.806 4.770 4.858 . 0 0 "[ . 1 . 2]" 1
83 1 40 TYR HB3 1 69 LYS HA . . 5.500 5.098 4.549 5.381 . 0 0 "[ . 1 . 2]" 1
84 1 40 TYR HB3 1 68 LYS HA . . 5.280 4.342 4.185 4.582 . 0 0 "[ . 1 . 2]" 1
85 1 36 GLU HA 1 40 TYR HB3 . . 5.500 5.565 5.553 5.590 0.090 10 0 "[ . 1 . 2]" 1
86 1 40 TYR HB3 1 41 VAL MG2 . . 5.470 4.627 4.464 4.768 . 0 0 "[ . 1 . 2]" 1
87 1 40 TYR HB3 1 67 LEU MD1 . . 5.500 3.732 2.937 4.021 . 0 0 "[ . 1 . 2]" 1
88 1 35 LEU HB3 1 40 TYR HA . . 3.690 2.586 2.502 2.789 . 0 0 "[ . 1 . 2]" 1
89 1 35 LEU MD2 1 40 TYR HA . . 3.120 2.776 2.583 2.874 . 0 0 "[ . 1 . 2]" 1
90 1 40 TYR HA 1 45 ALA MB . . 4.910 4.866 4.639 4.940 0.030 12 0 "[ . 1 . 2]" 1
91 1 40 TYR HA 1 41 VAL MG2 . . 4.650 4.276 4.136 4.516 . 0 0 "[ . 1 . 2]" 1
92 1 35 LEU MD1 1 40 TYR HA . . 4.250 4.155 4.118 4.211 . 0 0 "[ . 1 . 2]" 1
93 1 35 LEU HG 1 40 TYR HA . . 5.380 5.058 4.928 5.153 . 0 0 "[ . 1 . 2]" 1
94 1 35 LEU HA 1 40 TYR HA . . 3.880 3.901 3.846 3.933 0.053 8 0 "[ . 1 . 2]" 1
95 1 36 GLU HA 1 40 TYR HA . . 5.050 3.943 3.900 4.044 . 0 0 "[ . 1 . 2]" 1
96 1 40 TYR HA 1 40 TYR QD . . 3.850 2.309 2.284 2.429 . 0 0 "[ . 1 . 2]" 1
97 1 40 TYR HA 1 40 TYR QE . . 4.900 4.456 4.440 4.496 . 0 0 "[ . 1 . 2]" 1
98 1 39 GLY HA3 1 40 TYR QD . . 4.800 4.788 4.639 4.814 0.014 6 0 "[ . 1 . 2]" 1
99 1 39 GLY HA2 1 40 TYR QD . . 4.460 3.945 3.745 3.987 . 0 0 "[ . 1 . 2]" 1
100 1 39 GLY HA3 1 41 VAL MG2 . . 4.240 3.099 2.900 3.204 . 0 0 "[ . 1 . 2]" 1
101 1 39 GLY HA2 1 41 VAL MG2 . . 4.510 4.231 4.136 4.312 . 0 0 "[ . 1 . 2]" 1
102 1 38 THR HA 1 39 GLY HA2 . . 5.260 5.052 5.048 5.062 . 0 0 "[ . 1 . 2]" 1
103 1 37 LYS HA 1 39 GLY HA2 . . 5.500 5.393 5.342 5.431 . 0 0 "[ . 1 . 2]" 1
104 1 38 THR HB 1 41 VAL MG2 . . 4.090 3.442 3.280 3.609 . 0 0 "[ . 1 . 2]" 1
105 1 41 VAL MG1 1 44 ARG HG3 . . 3.370 2.058 1.971 2.202 . 0 0 "[ . 1 . 2]" 1
106 1 44 ARG HB3 1 44 ARG HG3 . . 3.010 2.993 2.986 2.999 . 0 0 "[ . 1 . 2]" 1
107 1 35 LEU HA 1 45 ALA MB . . 3.100 2.009 1.956 2.140 . 0 0 "[ . 1 . 2]" 1
108 1 35 LEU MD2 1 45 ALA MB . . 2.920 2.019 1.870 2.256 . 0 0 "[ . 1 . 2]" 1
109 1 45 ALA MB 1 56 LEU QD . . 2.970 1.923 1.839 1.995 . 0 0 "[ . 1 . 2]" 1
110 1 34 ALA MB 1 45 ALA MB . . 3.150 2.393 2.129 2.840 . 0 0 "[ . 1 . 2]" 1
111 1 45 ALA MB 1 56 LEU HG . . 4.660 3.960 3.839 4.065 . 0 0 "[ . 1 . 2]" 1
112 1 41 VAL HB 1 45 ALA MB . . 4.510 4.174 4.089 4.282 . 0 0 "[ . 1 . 2]" 1
113 1 35 LEU HG 1 45 ALA MB . . 3.590 2.045 1.982 2.241 . 0 0 "[ . 1 . 2]" 1
114 1 46 ALA MB 1 56 LEU QD . . 2.760 2.016 1.884 2.161 . 0 0 "[ . 1 . 2]" 1
115 1 45 ALA MB 1 46 ALA MB . . 3.730 3.692 3.590 3.723 . 0 0 "[ . 1 . 2]" 1
116 1 34 ALA MB 1 48 LEU MD2 . . 3.670 2.641 2.426 2.831 . 0 0 "[ . 1 . 2]" 1
117 1 34 ALA HA 1 48 LEU MD2 . . 3.950 3.662 3.438 3.898 . 0 0 "[ . 1 . 2]" 1
118 1 48 LEU HA 1 48 LEU MD2 . . 4.020 2.793 2.613 3.029 . 0 0 "[ . 1 . 2]" 1
119 1 34 ALA MB 1 48 LEU HB3 . . 4.040 2.701 2.576 2.807 . 0 0 "[ . 1 . 2]" 1
120 1 46 ALA HA 1 49 LEU HB3 . . 5.490 4.673 4.576 4.890 . 0 0 "[ . 1 . 2]" 1
121 1 34 ALA HA 1 49 LEU MD1 . . 5.500 4.636 4.455 4.858 . 0 0 "[ . 1 . 2]" 1
122 1 31 ILE HA 1 49 LEU MD2 . . 3.860 2.741 1.984 3.016 . 0 0 "[ . 1 . 2]" 1
123 1 31 ILE HB 1 49 LEU MD1 . . 5.500 4.255 4.216 4.331 . 0 0 "[ . 1 . 2]" 1
124 1 49 LEU MD1 1 51 TYR QE . . 4.970 3.261 3.070 3.623 . 0 0 "[ . 1 . 2]" 1
125 1 49 LEU MD2 1 51 TYR QE . . 4.970 3.039 2.656 3.391 . 0 0 "[ . 1 . 2]" 1
126 1 47 LYS HA 1 50 GLY HA2 . . 4.030 3.860 3.662 3.987 . 0 0 "[ . 1 . 2]" 1
127 1 50 GLY HA3 1 51 TYR QD . . 4.800 4.047 3.990 4.095 . 0 0 "[ . 1 . 2]" 1
128 1 51 TYR HB3 1 56 LEU HA . . 4.580 4.382 4.285 4.437 . 0 0 "[ . 1 . 2]" 1
129 1 46 ALA HA 1 51 TYR HB3 . . 5.080 4.915 4.831 4.976 . 0 0 "[ . 1 . 2]" 1
130 1 51 TYR HB3 1 55 GLN HB3 . . 3.540 2.433 2.327 2.510 . 0 0 "[ . 1 . 2]" 1
131 1 46 ALA MB 1 51 TYR HB3 . . 4.440 4.405 4.321 4.478 0.038 13 0 "[ . 1 . 2]" 1
132 1 51 TYR HB3 1 52 THR MG . . 4.640 3.637 3.598 3.727 . 0 0 "[ . 1 . 2]" 1
133 1 51 TYR HB3 1 56 LEU QD . . 4.480 4.173 3.954 4.347 . 0 0 "[ . 1 . 2]" 1
134 1 46 ALA MB 1 52 THR HA . . 4.270 3.161 3.009 3.263 . 0 0 "[ . 1 . 2]" 1
135 1 52 THR HA 1 52 THR HB . . 2.910 2.433 2.423 2.460 . 0 0 "[ . 1 . 2]" 1
136 1 51 TYR HB3 1 52 THR HA . . 4.990 4.899 4.886 4.924 . 0 0 "[ . 1 . 2]" 1
137 1 52 THR HA 1 52 THR MG . . 3.240 3.191 3.189 3.196 . 0 0 "[ . 1 . 2]" 1
138 1 53 LEU HA 1 53 LEU MD1 . . 4.090 2.968 2.116 3.606 . 0 0 "[ . 1 . 2]" 1
139 1 51 TYR HB3 1 55 GLN HG3 . . 4.860 3.205 3.094 3.268 . 0 0 "[ . 1 . 2]" 1
140 1 55 GLN HB3 1 55 GLN HG3 . . 2.890 2.372 2.362 2.400 . 0 0 "[ . 1 . 2]" 1
141 1 31 ILE HA 1 56 LEU QD . . 5.100 3.429 3.310 3.538 . 0 0 "[ . 1 . 2]" 1
142 1 56 LEU QD 1 57 ASP HA . . 4.810 4.017 3.740 4.437 . 0 0 "[ . 1 . 2]" 1
143 1 51 TYR QD 1 56 LEU HB3 . . 5.500 5.509 5.501 5.530 0.030 13 0 "[ . 1 . 2]" 1
144 1 51 TYR HB3 1 56 LEU HB3 . . 5.500 5.512 5.403 5.535 0.035 8 0 "[ . 1 . 2]" 1
145 1 46 ALA HA 1 56 LEU HB3 . . 5.310 4.431 4.285 4.506 . 0 0 "[ . 1 . 2]" 1
146 1 35 LEU MD1 1 56 LEU QD . . 3.930 3.228 3.127 3.336 . 0 0 "[ . 1 . 2]" 1
147 1 44 ARG H 1 56 LEU QD . . 5.110 4.880 4.796 5.119 0.009 15 0 "[ . 1 . 2]" 1
148 1 53 LEU HG 1 57 ASP HB3 . . 4.980 4.589 4.183 4.971 . 0 0 "[ . 1 . 2]" 1
149 1 56 LEU HB3 1 57 ASP HB3 . . 5.100 4.837 4.651 4.983 . 0 0 "[ . 1 . 2]" 1
150 1 31 ILE MD 1 59 ARG HD3 . . 4.430 3.386 2.986 4.291 . 0 0 "[ . 1 . 2]" 1
151 1 56 LEU QD 1 59 ARG HD3 . . 5.500 4.760 4.274 5.518 0.018 6 0 "[ . 1 . 2]" 1
152 1 59 ARG HD3 1 63 TYR QE . . 5.500 4.360 2.619 4.825 . 0 0 "[ . 1 . 2]" 1
153 1 58 TYR QD 1 59 ARG HD3 . . 5.500 5.424 4.764 5.614 0.114 13 0 "[ . 1 . 2]" 1
154 1 59 ARG HD3 1 63 TYR QD . . 5.500 5.412 4.207 5.557 0.057 6 0 "[ . 1 . 2]" 1
155 1 55 GLN HB3 1 59 ARG HD3 . . 5.390 3.689 3.293 5.530 0.140 14 0 "[ . 1 . 2]" 1
156 1 59 ARG HA 1 59 ARG HD3 . . 4.760 4.075 3.328 4.226 . 0 0 "[ . 1 . 2]" 1
157 1 57 ASP HA 1 60 ILE MD . . 4.580 4.530 4.438 4.594 0.014 13 0 "[ . 1 . 2]" 1
158 1 60 ILE HA 1 60 ILE HG13 . . 3.870 3.676 3.663 3.689 . 0 0 "[ . 1 . 2]" 1
159 1 60 ILE HB 1 60 ILE MD . . 3.350 3.229 3.228 3.230 . 0 0 "[ . 1 . 2]" 1
160 1 60 ILE HG13 1 60 ILE MG . . 2.940 2.225 2.213 2.245 . 0 0 "[ . 1 . 2]" 1
161 1 60 ILE MD 1 60 ILE MG . . 2.910 2.132 2.102 2.166 . 0 0 "[ . 1 . 2]" 1
162 1 60 ILE HB 1 61 LYS HB3 . . 4.460 4.242 4.197 4.285 . 0 0 "[ . 1 . 2]" 1
163 1 60 ILE MG 1 65 ILE HB . . 3.090 2.377 2.142 2.566 . 0 0 "[ . 1 . 2]" 1
164 1 58 TYR QE 1 62 LYS HD3 . . 5.090 3.353 2.469 3.783 . 0 0 "[ . 1 . 2]" 1
165 1 56 LEU HB3 1 60 ILE MD . . 5.250 5.254 5.183 5.291 0.041 10 0 "[ . 1 . 2]" 1
166 1 62 LYS HB3 1 63 TYR QE . . 5.500 4.388 4.160 4.499 . 0 0 "[ . 1 . 2]" 1
167 1 62 LYS HB3 1 63 TYR QD . . 5.500 4.046 3.738 4.127 . 0 0 "[ . 1 . 2]" 1
168 1 59 ARG HA 1 62 LYS HB3 . . 4.290 3.664 3.419 3.743 . 0 0 "[ . 1 . 2]" 1
169 1 28 LYS HG3 1 63 TYR HB3 . . 3.510 2.170 1.987 2.431 . 0 0 "[ . 1 . 2]" 1
170 1 63 TYR HB3 1 65 ILE MG . . 4.950 4.814 4.721 4.935 . 0 0 "[ . 1 . 2]" 1
171 1 60 ILE HA 1 63 TYR HB3 . . 5.230 4.956 4.807 5.159 . 0 0 "[ . 1 . 2]" 1
172 1 61 LYS H 1 64 GLY HA2 . . 5.500 5.317 5.271 5.354 . 0 0 "[ . 1 . 2]" 1
173 1 61 LYS HA 1 64 GLY HA3 . . 5.010 4.823 4.735 4.880 . 0 0 "[ . 1 . 2]" 1
174 1 63 TYR HA 1 64 GLY HA3 . . 5.060 4.539 4.519 4.550 . 0 0 "[ . 1 . 2]" 1
175 1 63 TYR HA 1 64 GLY HA2 . . 5.500 5.166 5.142 5.178 . 0 0 "[ . 1 . 2]" 1
176 1 63 TYR HB3 1 65 ILE HB . . 5.500 5.351 5.229 5.481 . 0 0 "[ . 1 . 2]" 1
177 1 40 TYR QE 1 65 ILE MG . . 5.500 5.499 5.386 5.513 0.013 5 0 "[ . 1 . 2]" 1
178 1 63 TYR QD 1 65 ILE MD . . 3.950 2.737 2.584 3.160 . 0 0 "[ . 1 . 2]" 1
179 1 63 TYR HB3 1 65 ILE MD . . 3.810 3.270 3.125 3.448 . 0 0 "[ . 1 . 2]" 1
180 1 60 ILE HA 1 65 ILE MD . . 3.610 2.583 2.421 2.676 . 0 0 "[ . 1 . 2]" 1
181 1 28 LYS HA 1 65 ILE MD . . 3.990 2.750 2.622 2.850 . 0 0 "[ . 1 . 2]" 1
182 1 60 ILE MD 1 65 ILE HB . . 3.410 1.968 1.928 2.078 . 0 0 "[ . 1 . 2]" 1
183 1 35 LEU MD1 1 65 ILE HB . . 4.560 3.525 3.395 3.593 . 0 0 "[ . 1 . 2]" 1
184 1 60 ILE HB 1 65 ILE HB . . 4.980 4.803 4.651 4.931 . 0 0 "[ . 1 . 2]" 1
185 1 60 ILE MD 1 65 ILE MD . . 3.250 1.898 1.837 2.043 . 0 0 "[ . 1 . 2]" 1
186 1 65 ILE HB 1 65 ILE MD . . 3.420 2.380 2.353 2.413 . 0 0 "[ . 1 . 2]" 1
187 1 60 ILE MD 1 65 ILE HG13 . . 3.990 3.081 2.997 3.159 . 0 0 "[ . 1 . 2]" 1
188 1 31 ILE MG 1 65 ILE HG13 . . 4.630 4.090 4.011 4.285 . 0 0 "[ . 1 . 2]" 1
189 1 63 TYR HB3 1 65 ILE HG13 . . 4.520 2.974 2.848 3.092 . 0 0 "[ . 1 . 2]" 1
190 1 60 ILE HA 1 65 ILE MG . . 4.580 4.218 4.114 4.322 . 0 0 "[ . 1 . 2]" 1
191 1 35 LEU MD1 1 65 ILE MG . . 3.230 2.658 2.594 2.697 . 0 0 "[ . 1 . 2]" 1
192 1 65 ILE HG13 1 65 ILE MG . . 3.340 3.199 3.186 3.203 . 0 0 "[ . 1 . 2]" 1
193 1 65 ILE MD 1 65 ILE MG . . 2.870 1.951 1.913 2.021 . 0 0 "[ . 1 . 2]" 1
194 1 35 LEU HB3 1 65 ILE MG . . 4.760 4.734 4.642 4.782 0.022 12 0 "[ . 1 . 2]" 1
195 1 35 LEU MD2 1 65 ILE MG . . 4.690 4.694 4.649 4.715 0.025 4 0 "[ . 1 . 2]" 1
196 1 35 LEU MD1 1 67 LEU MD1 . . 4.090 3.006 2.476 3.221 . 0 0 "[ . 1 . 2]" 1
197 1 35 LEU MD1 1 67 LEU MD2 . . 4.090 3.910 3.018 4.098 0.008 16 0 "[ . 1 . 2]" 1
198 1 35 LEU MD2 1 67 LEU MD2 . . 4.530 4.238 3.504 4.435 . 0 0 "[ . 1 . 2]" 1
199 1 35 LEU MD2 1 67 LEU MD1 . . 4.530 2.355 1.922 2.623 . 0 0 "[ . 1 . 2]" 1
200 1 67 LEU HG 1 69 LYS HB3 . . 4.470 3.603 2.386 4.473 0.003 2 0 "[ . 1 . 2]" 1
201 1 40 TYR QD 1 68 LYS HB3 . . 5.500 3.199 2.390 4.128 . 0 0 "[ . 1 . 2]" 1
202 1 28 LYS HE3 1 32 ILE MG . . 3.910 2.280 2.055 2.656 . 0 0 "[ . 1 . 2]" 1
203 1 5 LEU HA 1 6 PRO HD3 . . 3.750 2.319 2.283 2.327 . 0 0 "[ . 1 . 2]" 1
204 1 5 LEU MD1 1 6 PRO HD3 . . 5.500 4.297 2.611 5.351 . 0 0 "[ . 1 . 2]" 1
205 1 5 LEU MD2 1 6 PRO HD3 . . 5.500 3.957 2.614 5.274 . 0 0 "[ . 1 . 2]" 1
206 1 66 GLU HA 1 66 GLU HG3 . . 3.820 3.048 2.716 3.807 . 0 0 "[ . 1 . 2]" 1
207 1 65 ILE MG 1 66 GLU HA . . 4.290 3.921 3.823 4.090 . 0 0 "[ . 1 . 2]" 1
208 1 66 GLU HA 1 67 LEU HG . . 5.500 5.406 4.914 5.505 0.005 7 0 "[ . 1 . 2]" 1
209 1 47 LYS HA 1 47 LYS HG3 . . 4.240 3.667 3.473 3.790 . 0 0 "[ . 1 . 2]" 1
210 1 33 GLU HA 1 36 GLU HB3 . . 5.080 4.841 4.730 5.018 . 0 0 "[ . 1 . 2]" 1
211 1 36 GLU HA 1 36 GLU HG3 . . 3.980 3.765 3.729 3.782 . 0 0 "[ . 1 . 2]" 1
212 1 36 GLU HA 1 39 GLY HA2 . . 4.260 4.051 4.024 4.085 . 0 0 "[ . 1 . 2]" 1
213 1 36 GLU HA 1 40 TYR QD . . 4.290 3.593 3.514 3.789 . 0 0 "[ . 1 . 2]" 1
214 1 36 GLU HA 1 40 TYR QE . . 3.830 3.556 3.446 3.716 . 0 0 "[ . 1 . 2]" 1
215 1 32 ILE MG 1 36 GLU HG3 . . 3.850 3.774 3.663 3.853 0.003 17 0 "[ . 1 . 2]" 1
216 1 22 PHE HA 1 25 GLU HB3 . . 4.450 3.038 2.521 4.297 . 0 0 "[ . 1 . 2]" 1
217 1 24 GLU HA 1 24 GLU HG3 . . 4.250 3.713 3.630 3.822 . 0 0 "[ . 1 . 2]" 1
218 1 67 LEU HA 1 67 LEU MD2 . . 4.720 3.566 3.536 3.659 . 0 0 "[ . 1 . 2]" 1
219 1 67 LEU HA 1 67 LEU MD1 . . 4.720 4.081 4.032 4.099 . 0 0 "[ . 1 . 2]" 1
220 1 35 LEU MD1 1 67 LEU HA . . 5.230 4.568 4.288 4.843 . 0 0 "[ . 1 . 2]" 1
221 1 65 ILE MG 1 67 LEU HA . . 5.010 4.817 4.760 4.910 . 0 0 "[ . 1 . 2]" 1
222 1 40 TYR QD 1 67 LEU HA . . 4.200 2.551 2.188 2.718 . 0 0 "[ . 1 . 2]" 1
223 1 40 TYR QE 1 67 LEU HA . . 4.070 3.718 3.448 3.904 . 0 0 "[ . 1 . 2]" 1
224 1 66 GLU HA 1 67 LEU HA . . 4.840 4.578 4.520 4.598 . 0 0 "[ . 1 . 2]" 1
225 1 67 LEU HA 1 68 LYS HA . . 5.160 4.346 4.307 4.383 . 0 0 "[ . 1 . 2]" 1
226 1 20 PRO HA 1 23 ILE HB . . 5.080 4.670 2.987 5.129 0.049 7 0 "[ . 1 . 2]" 1
227 1 31 ILE HA 1 31 ILE HG13 . . 3.740 3.740 3.723 3.757 0.017 17 0 "[ . 1 . 2]" 1
228 1 31 ILE HA 1 49 LEU MD1 . . 3.860 1.896 1.872 1.966 . 0 0 "[ . 1 . 2]" 1
229 1 31 ILE HA 1 49 LEU HG . . 4.050 4.118 4.056 4.172 0.122 13 0 "[ . 1 . 2]" 1
230 1 31 ILE HA 1 45 ALA MB . . 5.200 4.161 3.957 4.620 . 0 0 "[ . 1 . 2]" 1
231 1 31 ILE HA 1 51 TYR QE . . 5.260 4.851 4.646 5.047 . 0 0 "[ . 1 . 2]" 1
232 1 30 ARG H 1 31 ILE HA . . 5.380 5.277 5.245 5.307 . 0 0 "[ . 1 . 2]" 1
233 1 32 ILE HA 1 35 LEU HB3 . . 4.370 4.040 3.869 4.127 . 0 0 "[ . 1 . 2]" 1
234 1 31 ILE MG 1 32 ILE HA . . 3.970 3.276 3.214 3.400 . 0 0 "[ . 1 . 2]" 1
235 1 32 ILE HA 1 35 LEU MD1 . . 4.090 2.674 2.592 2.766 . 0 0 "[ . 1 . 2]" 1
236 1 32 ILE HA 1 65 ILE MG . . 4.080 2.680 2.455 2.834 . 0 0 "[ . 1 . 2]" 1
237 1 32 ILE HA 1 32 ILE HG13 . . 3.620 2.241 2.226 2.261 . 0 0 "[ . 1 . 2]" 1
238 1 32 ILE HA 1 35 LEU HG . . 4.650 4.249 3.979 4.360 . 0 0 "[ . 1 . 2]" 1
239 1 33 GLU HB3 1 34 ALA MB . . 4.150 3.901 3.839 3.967 . 0 0 "[ . 1 . 2]" 1
240 1 34 ALA HA 1 48 LEU MD1 . . 3.950 3.098 2.828 3.273 . 0 0 "[ . 1 . 2]" 1
241 1 34 ALA HA 1 38 THR MG . . 4.220 3.592 3.532 3.628 . 0 0 "[ . 1 . 2]" 1
242 1 34 ALA HA 1 49 LEU MD2 . . 5.500 4.330 4.186 4.546 . 0 0 "[ . 1 . 2]" 1
243 1 34 ALA HA 1 45 ALA HA . . 4.790 4.557 4.418 4.793 0.003 14 0 "[ . 1 . 2]" 1
244 1 38 THR MG 1 45 ALA HA . . 3.100 2.133 1.972 2.245 . 0 0 "[ . 1 . 2]" 1
245 1 45 ALA HA 1 48 LEU HB3 . . 3.870 2.911 2.799 3.064 . 0 0 "[ . 1 . 2]" 1
246 1 34 ALA MB 1 45 ALA HA . . 3.310 2.499 2.218 2.885 . 0 0 "[ . 1 . 2]" 1
247 1 38 THR HB 1 45 ALA HA . . 4.690 4.360 4.024 4.501 . 0 0 "[ . 1 . 2]" 1
248 1 46 ALA HA 1 51 TYR QD . . 4.520 4.041 3.941 4.144 . 0 0 "[ . 1 . 2]" 1
249 1 46 ALA HA 1 56 LEU HA . . 4.990 4.971 4.915 5.006 0.016 4 0 "[ . 1 . 2]" 1
250 1 46 ALA HA 1 56 LEU QD . . 3.400 2.025 1.913 2.405 . 0 0 "[ . 1 . 2]" 1
251 1 31 ILE MG 1 46 ALA HA . . 5.500 5.506 5.449 5.527 0.027 14 0 "[ . 1 . 2]" 1
252 1 65 ILE HA 1 65 ILE HG13 . . 3.350 3.203 3.160 3.236 . 0 0 "[ . 1 . 2]" 1
253 1 65 ILE HA 1 65 ILE MD . . 4.050 3.879 3.872 3.889 . 0 0 "[ . 1 . 2]" 1
254 1 65 ILE HA 1 65 ILE MG . . 3.180 2.233 2.152 2.261 . 0 0 "[ . 1 . 2]" 1
255 1 63 TYR HB3 1 65 ILE HA . . 5.500 4.839 4.757 4.916 . 0 0 "[ . 1 . 2]" 1
256 1 60 ILE HA 1 65 ILE HA . . 5.340 5.033 4.923 5.175 . 0 0 "[ . 1 . 2]" 1
257 1 32 ILE HA 1 35 LEU MD2 . . 4.940 4.884 4.794 4.947 0.007 15 0 "[ . 1 . 2]" 1
258 1 5 LEU HA 1 6 PRO HA . . 4.680 4.388 4.387 4.394 . 0 0 "[ . 1 . 2]" 1
259 1 51 TYR HA 1 55 GLN HB3 . . 4.500 4.498 4.392 4.519 0.019 3 0 "[ . 1 . 2]" 1
260 1 46 ALA MB 1 51 TYR HA . . 4.690 4.702 4.665 4.761 0.071 16 0 "[ . 1 . 2]" 1
261 1 51 TYR HA 1 52 THR MG . . 4.350 3.966 3.945 3.998 . 0 0 "[ . 1 . 2]" 1
262 1 51 TYR HA 1 56 LEU QD . . 5.500 5.305 5.118 5.503 0.003 10 0 "[ . 1 . 2]" 1
263 1 51 TYR HA 1 51 TYR QD . . 3.020 2.224 2.207 2.236 . 0 0 "[ . 1 . 2]" 1
264 1 51 TYR HA 1 51 TYR QE . . 4.630 4.532 4.525 4.548 . 0 0 "[ . 1 . 2]" 1
265 1 46 ALA HA 1 51 TYR HA . . 5.410 5.356 5.270 5.432 0.022 16 0 "[ . 1 . 2]" 1
266 1 50 GLY HA3 1 51 TYR HA . . 5.040 4.513 4.501 4.523 . 0 0 "[ . 1 . 2]" 1
267 1 51 TYR HA 1 52 THR HB . . 4.900 4.537 4.483 4.555 . 0 0 "[ . 1 . 2]" 1
268 1 28 LYS HA 1 60 ILE MD . . 5.500 5.282 5.172 5.381 . 0 0 "[ . 1 . 2]" 1
269 1 28 LYS HA 1 65 ILE MG . . 5.500 5.057 4.947 5.155 . 0 0 "[ . 1 . 2]" 1
270 1 28 LYS HA 1 63 TYR QD . . 5.120 3.403 3.238 3.644 . 0 0 "[ . 1 . 2]" 1
271 1 29 LYS HA 1 29 LYS HG3 . . 4.210 2.868 2.741 3.128 . 0 0 "[ . 1 . 2]" 1
272 1 29 LYS HA 1 32 ILE MG . . 4.610 1.985 1.906 2.084 . 0 0 "[ . 1 . 2]" 1
273 1 29 LYS HA 1 32 ILE MD . . 4.950 4.697 4.561 4.809 . 0 0 "[ . 1 . 2]" 1
274 1 30 ARG HA 1 30 ARG HG3 . . 3.880 3.628 3.457 3.701 . 0 0 "[ . 1 . 2]" 1
275 1 33 GLU HA 1 36 GLU HG3 . . 4.320 3.321 3.094 3.463 . 0 0 "[ . 1 . 2]" 1
276 1 33 GLU HA 1 33 GLU HG3 . . 3.570 2.575 2.554 2.602 . 0 0 "[ . 1 . 2]" 1
277 1 35 LEU HA 1 35 LEU MD2 . . 3.340 2.147 2.017 2.279 . 0 0 "[ . 1 . 2]" 1
278 1 35 LEU HA 1 35 LEU MD1 . . 4.490 3.831 3.812 3.840 . 0 0 "[ . 1 . 2]" 1
279 1 35 LEU HA 1 35 LEU HG . . 4.060 2.657 2.591 2.719 . 0 0 "[ . 1 . 2]" 1
280 1 41 VAL HA 1 41 VAL MG2 . . 2.880 2.393 2.337 2.460 . 0 0 "[ . 1 . 2]" 1
281 1 41 VAL HA 1 41 VAL MG1 . . 2.920 2.376 2.345 2.398 . 0 0 "[ . 1 . 2]" 1
282 1 38 THR MG 1 44 ARG HA . . 3.850 3.806 3.687 3.860 0.010 17 0 "[ . 1 . 2]" 1
283 1 44 ARG HA 1 44 ARG HB3 . . 2.820 2.500 2.482 2.529 . 0 0 "[ . 1 . 2]" 1
284 1 44 ARG HA 1 44 ARG HG3 . . 3.580 2.806 2.726 2.859 . 0 0 "[ . 1 . 2]" 1
285 1 44 ARG HA 1 45 ALA HA . . 4.890 4.815 4.783 4.844 . 0 0 "[ . 1 . 2]" 1
286 1 44 ARG HA 1 47 LYS HG3 . . 4.600 3.318 2.117 4.219 . 0 0 "[ . 1 . 2]" 1
287 1 48 LEU HA 1 48 LEU MD1 . . 4.020 3.717 3.677 3.776 . 0 0 "[ . 1 . 2]" 1
288 1 49 LEU HA 1 49 LEU MD2 . . 4.510 2.398 2.218 2.589 . 0 0 "[ . 1 . 2]" 1
289 1 49 LEU HA 1 49 LEU MD1 . . 4.510 3.875 3.863 3.905 . 0 0 "[ . 1 . 2]" 1
290 1 49 LEU HA 1 49 LEU HG . . 3.730 2.720 2.660 2.780 . 0 0 "[ . 1 . 2]" 1
291 1 53 LEU HA 1 56 LEU HB3 . . 4.440 2.988 2.926 3.064 . 0 0 "[ . 1 . 2]" 1
292 1 53 LEU HA 1 53 LEU MD2 . . 4.090 3.649 3.324 3.944 . 0 0 "[ . 1 . 2]" 1
293 1 54 ARG HA 1 54 ARG HG3 . . 3.720 2.544 2.230 2.732 . 0 0 "[ . 1 . 2]" 1
294 1 54 ARG HA 1 57 ASP HB3 . . 3.450 2.980 2.784 3.205 . 0 0 "[ . 1 . 2]" 1
295 1 54 ARG HB3 1 55 GLN HA . . 4.060 3.945 3.800 4.048 . 0 0 "[ . 1 . 2]" 1
296 1 55 GLN HA 1 55 GLN HG3 . . 3.800 3.654 3.646 3.687 . 0 0 "[ . 1 . 2]" 1
297 1 55 GLN HA 1 58 TYR HB3 . . 3.820 3.298 2.993 3.490 . 0 0 "[ . 1 . 2]" 1
298 1 56 LEU HA 1 56 LEU QD . . 3.450 2.481 1.956 2.747 . 0 0 "[ . 1 . 2]" 1
299 1 56 LEU HA 1 56 LEU HG . . 4.110 2.680 2.544 3.059 . 0 0 "[ . 1 . 2]" 1
300 1 51 TYR QD 1 56 LEU HA . . 4.450 3.616 3.557 3.708 . 0 0 "[ . 1 . 2]" 1
301 1 57 ASP HA 1 60 ILE HB . . 3.300 2.744 2.592 2.829 . 0 0 "[ . 1 . 2]" 1
302 1 56 LEU HG 1 57 ASP HA . . 4.370 4.263 3.938 4.378 0.008 7 0 "[ . 1 . 2]" 1
303 1 57 ASP HA 1 60 ILE MG . . 4.400 4.101 3.959 4.168 . 0 0 "[ . 1 . 2]" 1
304 1 57 ASP HA 1 60 ILE HG13 . . 3.650 3.424 3.333 3.484 . 0 0 "[ . 1 . 2]" 1
305 1 58 TYR HA 1 58 TYR QD . . 3.490 2.511 2.357 2.839 . 0 0 "[ . 1 . 2]" 1
306 1 58 TYR HA 1 58 TYR QE . . 4.430 4.351 4.265 4.496 0.066 13 0 "[ . 1 . 2]" 1
307 1 58 TYR HA 1 61 LYS HB3 . . 4.550 4.205 4.136 4.319 . 0 0 "[ . 1 . 2]" 1
308 1 60 ILE HA 1 64 GLY HA2 . . 5.500 4.957 4.906 5.063 . 0 0 "[ . 1 . 2]" 1
309 1 60 ILE HA 1 60 ILE MD . . 3.310 1.940 1.934 1.946 . 0 0 "[ . 1 . 2]" 1
310 1 31 ILE MG 1 60 ILE HA . . 4.610 3.542 3.410 3.691 . 0 0 "[ . 1 . 2]" 1
311 1 31 ILE MG 1 60 ILE MD . . 3.550 1.796 1.761 1.885 . 0 0 "[ . 1 . 2]" 1
312 1 35 LEU MD1 1 60 ILE MD . . 3.880 1.881 1.805 1.990 . 0 0 "[ . 1 . 2]" 1
313 1 35 LEU MD2 1 60 ILE MD . . 3.830 3.512 3.386 3.640 . 0 0 "[ . 1 . 2]" 1
314 1 60 ILE HA 1 60 ILE MG . . 3.310 2.350 2.318 2.383 . 0 0 "[ . 1 . 2]" 1
315 1 60 ILE HA 1 65 ILE HB . . 3.410 2.816 2.666 2.963 . 0 0 "[ . 1 . 2]" 1
316 1 56 LEU HG 1 60 ILE MD . . 3.150 3.173 3.141 3.209 0.059 8 0 "[ . 1 . 2]" 1
317 1 61 LYS HG3 1 62 LYS HA . . 4.990 3.439 3.327 3.519 . 0 0 "[ . 1 . 2]" 1
318 1 62 LYS HB3 1 63 TYR HA . . 4.140 4.021 3.981 4.040 . 0 0 "[ . 1 . 2]" 1
319 1 63 TYR HA 1 63 TYR QD . . 3.710 2.344 2.200 2.625 . 0 0 "[ . 1 . 2]" 1
320 1 63 TYR HA 1 63 TYR QE . . 5.280 4.424 4.363 4.509 . 0 0 "[ . 1 . 2]" 1
321 1 68 LYS HA 1 69 LYS HA . . 4.900 4.503 4.329 4.839 . 0 0 "[ . 1 . 2]" 1
322 1 69 LYS HA 1 70 PHE HA . . 4.560 4.409 4.306 4.572 0.012 12 0 "[ . 1 . 2]" 1
323 1 62 LYS H 1 63 TYR H . . 3.300 2.626 2.573 2.653 . 0 0 "[ . 1 . 2]" 1
324 1 23 ILE H 1 23 ILE HB . . 3.560 2.546 2.400 2.661 . 0 0 "[ . 1 . 2]" 1
325 1 46 ALA H 1 46 ALA MB . . 2.680 2.165 2.099 2.229 . 0 0 "[ . 1 . 2]" 1
326 1 45 ALA MB 1 46 ALA H . . 3.070 2.632 2.391 2.707 . 0 0 "[ . 1 . 2]" 1
327 1 45 ALA H 1 45 ALA MB . . 2.710 2.217 2.124 2.236 . 0 0 "[ . 1 . 2]" 1
328 1 45 ALA H 1 46 ALA H . . 3.270 2.714 2.605 2.859 . 0 0 "[ . 1 . 2]" 1
329 1 4 GLU H 1 4 GLU HG3 . . 5.500 3.749 2.471 4.672 . 0 0 "[ . 1 . 2]" 1
330 1 18 ASP HB3 1 19 LEU H . . 4.550 3.781 2.138 4.554 0.004 7 0 "[ . 1 . 2]" 1
331 1 18 ASP HA 1 19 LEU H . . 3.140 2.562 2.189 2.976 . 0 0 "[ . 1 . 2]" 1
332 1 23 ILE H 1 23 ILE HG13 . . 4.050 2.883 1.943 3.708 . 0 0 "[ . 1 . 2]" 1
333 1 23 ILE H 1 23 ILE MD . . 4.930 3.451 2.845 3.739 . 0 0 "[ . 1 . 2]" 1
334 1 23 ILE H 1 23 ILE MG . . 4.000 3.763 3.738 3.783 . 0 0 "[ . 1 . 2]" 1
335 1 23 ILE HB 1 24 GLU H . . 4.020 2.407 2.329 2.516 . 0 0 "[ . 1 . 2]" 1
336 1 23 ILE MG 1 24 GLU H . . 4.240 3.334 3.073 3.587 . 0 0 "[ . 1 . 2]" 1
337 1 23 ILE HG13 1 24 GLU H . . 5.180 4.413 3.872 4.831 . 0 0 "[ . 1 . 2]" 1
338 1 24 GLU H 1 26 THR MG . . 5.500 4.304 4.165 5.632 0.132 17 0 "[ . 1 . 2]" 1
339 1 21 LYS HA 1 24 GLU H . . 4.260 3.562 3.400 3.827 . 0 0 "[ . 1 . 2]" 1
340 1 20 PRO HA 1 24 GLU H . . 5.470 5.044 4.074 5.386 . 0 0 "[ . 1 . 2]" 1
341 1 24 GLU H 1 25 GLU H . . 3.600 2.619 2.553 2.760 . 0 0 "[ . 1 . 2]" 1
342 1 35 LEU H 1 35 LEU HB3 . . 3.720 3.520 3.483 3.535 . 0 0 "[ . 1 . 2]" 1
343 1 35 LEU H 1 35 LEU HG . . 3.050 2.800 2.725 2.967 . 0 0 "[ . 1 . 2]" 1
344 1 35 LEU H 1 35 LEU MD1 . . 3.700 3.513 3.442 3.613 . 0 0 "[ . 1 . 2]" 1
345 1 35 LEU H 1 35 LEU MD2 . . 4.060 3.944 3.881 4.023 . 0 0 "[ . 1 . 2]" 1
346 1 34 ALA HA 1 35 LEU H . . 3.570 3.547 3.534 3.555 . 0 0 "[ . 1 . 2]" 1
347 1 34 ALA H 1 34 ALA MB . . 2.650 2.106 2.024 2.234 . 0 0 "[ . 1 . 2]" 1
348 1 34 ALA MB 1 35 LEU H . . 3.140 2.568 2.426 2.665 . 0 0 "[ . 1 . 2]" 1
349 1 25 GLU H 1 26 THR H . . 3.340 2.553 2.526 2.578 . 0 0 "[ . 1 . 2]" 1
350 1 34 ALA H 1 35 LEU H . . 3.050 2.734 2.682 2.771 . 0 0 "[ . 1 . 2]" 1
351 1 31 ILE HA 1 34 ALA H . . 3.880 3.737 3.701 3.776 . 0 0 "[ . 1 . 2]" 1
352 1 29 LYS HA 1 33 GLU H . . 4.530 3.862 3.820 3.921 . 0 0 "[ . 1 . 2]" 1
353 1 32 ILE MG 1 33 GLU H . . 3.730 2.074 2.061 2.083 . 0 0 "[ . 1 . 2]" 1
354 1 32 ILE HA 1 34 ALA H . . 4.860 4.680 4.641 4.703 . 0 0 "[ . 1 . 2]" 1
355 1 33 GLU H 1 33 GLU HB3 . . 3.130 2.385 2.377 2.395 . 0 0 "[ . 1 . 2]" 1
356 1 33 GLU H 1 33 GLU HG3 . . 4.610 4.472 4.462 4.483 . 0 0 "[ . 1 . 2]" 1
357 1 33 GLU HG3 1 34 ALA H . . 4.250 4.196 4.141 4.252 0.002 15 0 "[ . 1 . 2]" 1
358 1 33 GLU HB3 1 34 ALA H . . 3.400 2.442 2.433 2.451 . 0 0 "[ . 1 . 2]" 1
359 1 33 GLU H 1 34 ALA MB . . 4.550 4.345 4.288 4.416 . 0 0 "[ . 1 . 2]" 1
360 1 31 ILE MD 1 34 ALA H . . 5.500 5.321 5.186 5.401 . 0 0 "[ . 1 . 2]" 1
361 1 34 ALA H 1 38 THR MG . . 5.500 5.488 5.431 5.527 0.027 10 0 "[ . 1 . 2]" 1
362 1 34 ALA H 1 48 LEU MD1 . . 5.500 5.386 5.060 5.512 0.012 7 0 "[ . 1 . 2]" 1
363 1 34 ALA H 1 48 LEU MD2 . . 5.500 5.253 5.027 5.488 . 0 0 "[ . 1 . 2]" 1
364 1 33 GLU H 1 34 ALA H . . 3.110 2.761 2.741 2.794 . 0 0 "[ . 1 . 2]" 1
365 1 32 ILE H 1 32 ILE MD . . 4.250 4.232 4.208 4.253 0.003 15 0 "[ . 1 . 2]" 1
366 1 32 ILE H 1 32 ILE HG13 . . 4.360 4.361 4.351 4.368 0.008 15 0 "[ . 1 . 2]" 1
367 1 32 ILE H 1 32 ILE HB . . 2.590 2.465 2.445 2.480 . 0 0 "[ . 1 . 2]" 1
368 1 32 ILE HG13 1 33 GLU H . . 4.950 4.521 4.490 4.593 . 0 0 "[ . 1 . 2]" 1
369 1 32 ILE HB 1 33 GLU H . . 3.880 3.884 3.876 3.898 0.018 15 0 "[ . 1 . 2]" 1
370 1 31 ILE HB 1 33 GLU H . . 4.810 4.763 4.731 4.794 . 0 0 "[ . 1 . 2]" 1
371 1 28 LYS HA 1 31 ILE H . . 4.080 3.564 3.518 3.620 . 0 0 "[ . 1 . 2]" 1
372 1 31 ILE HB 1 32 ILE H . . 3.250 2.335 2.291 2.383 . 0 0 "[ . 1 . 2]" 1
373 1 31 ILE H 1 31 ILE MD . . 3.830 3.421 3.234 3.485 . 0 0 "[ . 1 . 2]" 1
374 1 32 ILE H 1 65 ILE MD . . 4.010 2.850 2.653 2.955 . 0 0 "[ . 1 . 2]" 1
375 1 31 ILE H 1 31 ILE HG13 . . 3.610 3.474 3.436 3.544 . 0 0 "[ . 1 . 2]" 1
376 1 32 ILE H 1 32 ILE MG . . 3.300 2.161 2.128 2.200 . 0 0 "[ . 1 . 2]" 1
377 1 31 ILE MG 1 32 ILE H . . 3.530 3.148 3.078 3.242 . 0 0 "[ . 1 . 2]" 1
378 1 31 ILE H 1 32 ILE H . . 2.970 2.835 2.785 2.914 . 0 0 "[ . 1 . 2]" 1
379 1 30 ARG H 1 31 ILE H . . 3.250 2.678 2.632 2.720 . 0 0 "[ . 1 . 2]" 1
380 1 29 LYS H 1 30 ARG H . . 3.280 2.656 2.615 2.697 . 0 0 "[ . 1 . 2]" 1
381 1 30 ARG HB3 1 31 ILE H . . 3.410 3.174 2.996 3.414 0.004 17 0 "[ . 1 . 2]" 1
382 1 31 ILE H 1 31 ILE HB . . 3.520 2.537 2.513 2.578 . 0 0 "[ . 1 . 2]" 1
383 1 30 ARG H 1 30 ARG HD3 . . 5.350 4.500 4.208 5.159 . 0 0 "[ . 1 . 2]" 1
384 1 29 LYS HG3 1 30 ARG H . . 5.000 4.646 4.571 4.791 . 0 0 "[ . 1 . 2]" 1
385 1 30 ARG H 1 30 ARG HG3 . . 4.030 3.739 3.356 4.031 0.001 16 0 "[ . 1 . 2]" 1
386 1 26 THR MG 1 30 ARG H . . 5.320 4.984 4.334 5.117 . 0 0 "[ . 1 . 2]" 1
387 1 26 THR MG 1 28 LYS H . . 5.090 4.378 4.355 4.604 . 0 0 "[ . 1 . 2]" 1
388 1 28 LYS H 1 28 LYS HG3 . . 4.640 4.591 4.561 4.621 . 0 0 "[ . 1 . 2]" 1
389 1 28 LYS H 1 28 LYS HB3 . . 3.160 2.476 2.406 2.532 . 0 0 "[ . 1 . 2]" 1
390 1 29 LYS H 1 32 ILE MG . . 4.110 3.991 3.932 4.053 . 0 0 "[ . 1 . 2]" 1
391 1 28 LYS H 1 29 LYS H . . 3.300 2.698 2.670 2.771 . 0 0 "[ . 1 . 2]" 1
392 1 26 THR H 1 26 THR HB . . 3.720 2.507 2.151 2.587 . 0 0 "[ . 1 . 2]" 1
393 1 26 THR H 1 27 GLU HA . . 5.500 5.182 5.158 5.347 . 0 0 "[ . 1 . 2]" 1
394 1 26 THR H 1 27 GLU H . . 4.390 2.552 2.523 2.750 . 0 0 "[ . 1 . 2]" 1
395 1 26 THR H 1 29 LYS H . . 4.790 4.745 4.710 4.801 0.011 10 0 "[ . 1 . 2]" 1
396 1 26 THR H 1 26 THR MG . . 4.060 2.211 2.037 3.520 . 0 0 "[ . 1 . 2]" 1
397 1 23 ILE MG 1 26 THR H . . 5.150 4.781 4.566 4.865 . 0 0 "[ . 1 . 2]" 1
398 1 26 THR H 1 28 LYS HB3 . . 5.500 5.433 5.162 5.511 0.011 4 0 "[ . 1 . 2]" 1
399 1 23 ILE HB 1 26 THR H . . 5.500 5.603 5.290 5.656 0.156 14 0 "[ . 1 . 2]" 1
400 1 37 LYS H 1 45 ALA MB . . 5.500 5.447 5.341 5.522 0.022 10 0 "[ . 1 . 2]" 1
401 1 37 LYS H 1 38 THR MG . . 4.550 4.249 4.171 4.346 . 0 0 "[ . 1 . 2]" 1
402 1 37 LYS H 1 38 THR H . . 3.170 2.490 2.465 2.519 . 0 0 "[ . 1 . 2]" 1
403 1 37 LYS HA 1 39 GLY H . . 4.050 3.921 3.761 4.044 . 0 0 "[ . 1 . 2]" 1
404 1 35 LEU HA 1 39 GLY H . . 4.790 4.442 4.328 4.654 . 0 0 "[ . 1 . 2]" 1
405 1 39 GLY H 1 40 TYR HA . . 4.670 4.519 4.426 4.666 . 0 0 "[ . 1 . 2]" 1
406 1 37 LYS HB3 1 39 GLY H . . 5.500 5.243 5.120 5.400 . 0 0 "[ . 1 . 2]" 1
407 1 38 THR H 1 38 THR MG . . 3.070 2.706 2.624 2.830 . 0 0 "[ . 1 . 2]" 1
408 1 38 THR H 1 45 ALA MB . . 4.840 4.506 4.441 4.612 . 0 0 "[ . 1 . 2]" 1
409 1 35 LEU HA 1 38 THR H . . 3.870 3.386 3.350 3.438 . 0 0 "[ . 1 . 2]" 1
410 1 34 ALA HA 1 38 THR H . . 4.370 4.233 4.170 4.264 . 0 0 "[ . 1 . 2]" 1
411 1 36 GLU HA 1 38 THR H . . 4.140 4.047 4.013 4.071 . 0 0 "[ . 1 . 2]" 1
412 1 38 THR H 1 39 GLY H . . 3.050 2.274 2.236 2.351 . 0 0 "[ . 1 . 2]" 1
413 1 38 THR H 1 38 THR HB . . 3.710 3.652 3.634 3.663 . 0 0 "[ . 1 . 2]" 1
414 1 38 THR HB 1 39 GLY H . . 4.260 4.116 3.988 4.244 . 0 0 "[ . 1 . 2]" 1
415 1 38 THR MG 1 39 GLY H . . 4.290 4.183 4.167 4.227 . 0 0 "[ . 1 . 2]" 1
416 1 35 LEU MD2 1 38 THR H . . 4.930 4.921 4.870 4.946 0.016 7 0 "[ . 1 . 2]" 1
417 1 35 LEU MD2 1 40 TYR H . . 4.070 3.931 3.728 4.014 . 0 0 "[ . 1 . 2]" 1
418 1 35 LEU HB3 1 40 TYR H . . 4.350 3.640 3.597 3.740 . 0 0 "[ . 1 . 2]" 1
419 1 40 TYR H 1 45 ALA MB . . 5.300 5.122 4.903 5.217 . 0 0 "[ . 1 . 2]" 1
420 1 40 TYR H 1 41 VAL MG2 . . 4.370 3.897 3.748 4.090 . 0 0 "[ . 1 . 2]" 1
421 1 35 LEU MD1 1 40 TYR H . . 5.500 5.508 5.496 5.531 0.031 4 0 "[ . 1 . 2]" 1
422 1 40 TYR H 1 41 VAL HB . . 5.030 5.021 5.008 5.043 0.013 16 0 "[ . 1 . 2]" 1
423 1 39 GLY H 1 40 TYR H . . 3.260 2.287 2.199 2.424 . 0 0 "[ . 1 . 2]" 1
424 1 39 GLY H 1 40 TYR QD . . 5.310 5.119 5.029 5.178 . 0 0 "[ . 1 . 2]" 1
425 1 35 LEU HA 1 40 TYR H . . 3.790 3.815 3.794 3.834 0.044 10 0 "[ . 1 . 2]" 1
426 1 38 THR HB 1 40 TYR H . . 4.990 4.918 4.787 4.985 . 0 0 "[ . 1 . 2]" 1
427 1 40 TYR H 1 41 VAL HA . . 5.440 5.313 5.273 5.347 . 0 0 "[ . 1 . 2]" 1
428 1 36 GLU HA 1 40 TYR H . . 4.280 2.815 2.785 2.882 . 0 0 "[ . 1 . 2]" 1
429 1 40 TYR H 1 40 TYR HA . . 2.730 2.274 2.273 2.274 . 0 0 "[ . 1 . 2]" 1
430 1 36 GLU HA 1 39 GLY H . . 4.040 3.362 3.313 3.455 . 0 0 "[ . 1 . 2]" 1
431 1 38 THR H 1 40 TYR H . . 4.040 3.638 3.603 3.651 . 0 0 "[ . 1 . 2]" 1
432 1 40 TYR H 1 41 VAL H . . 3.280 2.772 2.656 2.841 . 0 0 "[ . 1 . 2]" 1
433 1 40 TYR HA 1 41 VAL H . . 3.290 2.705 2.612 2.949 . 0 0 "[ . 1 . 2]" 1
434 1 40 TYR HB3 1 41 VAL H . . 4.680 4.430 4.398 4.476 . 0 0 "[ . 1 . 2]" 1
435 1 35 LEU HA 1 41 VAL H . . 4.340 3.123 2.926 3.629 . 0 0 "[ . 1 . 2]" 1
436 1 41 VAL H 1 41 VAL HB . . 2.790 2.720 2.596 2.795 0.005 16 0 "[ . 1 . 2]" 1
437 1 35 LEU MD2 1 41 VAL H . . 4.040 2.426 2.071 3.104 . 0 0 "[ . 1 . 2]" 1
438 1 41 VAL H 1 41 VAL MG1 . . 3.890 3.885 3.826 3.915 0.025 16 0 "[ . 1 . 2]" 1
439 1 41 VAL H 1 41 VAL MG2 . . 2.840 2.722 2.575 2.845 0.005 16 0 "[ . 1 . 2]" 1
440 1 41 VAL H 1 45 ALA MB . . 4.250 3.601 3.388 3.867 . 0 0 "[ . 1 . 2]" 1
441 1 38 THR HB 1 41 VAL H . . 3.870 3.738 3.479 3.873 0.003 2 0 "[ . 1 . 2]" 1
442 1 44 ARG H 1 45 ALA HA . . 5.500 5.297 5.242 5.336 . 0 0 "[ . 1 . 2]" 1
443 1 35 LEU MD2 1 45 ALA H . . 4.300 3.500 3.382 3.640 . 0 0 "[ . 1 . 2]" 1
444 1 38 THR MG 1 45 ALA H . . 3.610 3.177 2.964 3.365 . 0 0 "[ . 1 . 2]" 1
445 1 41 VAL MG1 1 45 ALA H . . 4.010 3.501 3.383 3.737 . 0 0 "[ . 1 . 2]" 1
446 1 45 ALA H 1 56 LEU QD . . 4.180 3.648 3.536 3.841 . 0 0 "[ . 1 . 2]" 1
447 1 44 ARG H 1 45 ALA H . . 2.800 2.702 2.624 2.751 . 0 0 "[ . 1 . 2]" 1
448 1 38 THR HB 1 44 ARG H . . 4.450 4.432 4.326 4.473 0.023 19 0 "[ . 1 . 2]" 1
449 1 41 VAL MG1 1 44 ARG H . . 2.680 1.870 1.856 1.889 . 0 0 "[ . 1 . 2]" 1
450 1 44 ARG H 1 45 ALA MB . . 4.500 4.342 4.284 4.385 . 0 0 "[ . 1 . 2]" 1
451 1 41 VAL HB 1 44 ARG H . . 3.770 2.995 2.705 3.121 . 0 0 "[ . 1 . 2]" 1
452 1 44 ARG H 1 44 ARG HB3 . . 3.780 3.585 3.576 3.587 . 0 0 "[ . 1 . 2]" 1
453 1 44 ARG H 1 44 ARG HG3 . . 3.210 2.289 2.197 2.424 . 0 0 "[ . 1 . 2]" 1
454 1 44 ARG H 1 46 ALA MB . . 5.360 4.847 4.776 4.982 . 0 0 "[ . 1 . 2]" 1
455 1 41 VAL HB 1 45 ALA H . . 4.460 3.326 3.234 3.502 . 0 0 "[ . 1 . 2]" 1
456 1 44 ARG HB3 1 45 ALA H . . 3.860 3.493 3.408 3.634 . 0 0 "[ . 1 . 2]" 1
457 1 44 ARG HG3 1 45 ALA H . . 4.870 4.350 4.289 4.461 . 0 0 "[ . 1 . 2]" 1
458 1 45 ALA H 1 46 ALA MB . . 4.690 4.367 4.272 4.463 . 0 0 "[ . 1 . 2]" 1
459 1 38 THR HB 1 45 ALA H . . 4.170 3.650 3.385 3.913 . 0 0 "[ . 1 . 2]" 1
460 1 44 ARG H 1 46 ALA H . . 4.450 4.067 4.009 4.265 . 0 0 "[ . 1 . 2]" 1
461 1 46 ALA H 1 56 LEU HG . . 5.270 5.282 5.173 5.326 0.056 7 0 "[ . 1 . 2]" 1
462 1 46 ALA H 1 56 LEU QD . . 3.190 2.442 2.229 2.534 . 0 0 "[ . 1 . 2]" 1
463 1 46 ALA MB 1 47 LYS H . . 2.990 2.313 2.279 2.346 . 0 0 "[ . 1 . 2]" 1
464 1 45 ALA MB 1 47 LYS H . . 4.820 4.790 4.645 4.834 0.014 7 0 "[ . 1 . 2]" 1
465 1 38 THR MG 1 47 LYS H . . 5.500 5.396 5.244 5.504 0.004 3 0 "[ . 1 . 2]" 1
466 1 47 LYS H 1 56 LEU QD . . 4.390 4.195 4.148 4.272 . 0 0 "[ . 1 . 2]" 1
467 1 46 ALA H 1 47 LYS H . . 3.270 2.701 2.649 2.791 . 0 0 "[ . 1 . 2]" 1
468 1 45 ALA H 1 47 LYS H . . 4.590 4.479 4.386 4.520 . 0 0 "[ . 1 . 2]" 1
469 1 44 ARG H 1 47 LYS H . . 5.040 4.861 4.781 4.931 . 0 0 "[ . 1 . 2]" 1
470 1 47 LYS H 1 48 LEU H . . 3.060 2.638 2.613 2.681 . 0 0 "[ . 1 . 2]" 1
471 1 45 ALA HA 1 48 LEU H . . 3.780 3.644 3.577 3.707 . 0 0 "[ . 1 . 2]" 1
472 1 48 LEU H 1 48 LEU HB3 . . 2.920 2.787 2.663 2.851 . 0 0 "[ . 1 . 2]" 1
473 1 48 LEU H 1 48 LEU MD2 . . 4.360 4.273 4.205 4.313 . 0 0 "[ . 1 . 2]" 1
474 1 48 LEU H 1 48 LEU MD1 . . 4.360 4.151 4.098 4.191 . 0 0 "[ . 1 . 2]" 1
475 1 38 THR MG 1 48 LEU H . . 4.290 4.129 3.981 4.230 . 0 0 "[ . 1 . 2]" 1
476 1 45 ALA MB 1 48 LEU H . . 4.700 4.681 4.592 4.724 0.024 7 0 "[ . 1 . 2]" 1
477 1 29 LYS H 1 29 LYS HG3 . . 3.250 2.634 2.499 2.923 . 0 0 "[ . 1 . 2]" 1
478 1 49 LEU H 1 49 LEU HB3 . . 3.780 3.566 3.557 3.582 . 0 0 "[ . 1 . 2]" 1
479 1 28 LYS HB3 1 29 LYS H . . 2.970 2.572 2.482 2.688 . 0 0 "[ . 1 . 2]" 1
480 1 48 LEU HB3 1 49 LEU H . . 3.430 2.374 2.338 2.406 . 0 0 "[ . 1 . 2]" 1
481 1 49 LEU H 1 49 LEU MD1 . . 3.930 3.285 3.091 3.377 . 0 0 "[ . 1 . 2]" 1
482 1 49 LEU H 1 49 LEU MD2 . . 3.930 3.903 3.819 3.974 0.044 13 0 "[ . 1 . 2]" 1
483 1 49 LEU H 1 49 LEU HG . . 2.880 2.584 2.434 2.649 . 0 0 "[ . 1 . 2]" 1
484 1 49 LEU H 1 50 GLY H . . 3.120 2.594 2.531 2.655 . 0 0 "[ . 1 . 2]" 1
485 1 47 LYS HA 1 50 GLY H . . 3.740 3.634 3.509 3.744 0.004 2 0 "[ . 1 . 2]" 1
486 1 46 ALA MB 1 50 GLY H . . 5.180 4.549 4.438 4.774 . 0 0 "[ . 1 . 2]" 1
487 1 49 LEU HG 1 50 GLY H . . 5.500 4.596 4.525 4.674 . 0 0 "[ . 1 . 2]" 1
488 1 49 LEU HB3 1 50 GLY H . . 4.170 3.637 3.446 4.014 . 0 0 "[ . 1 . 2]" 1
489 1 51 TYR H 1 51 TYR QD . . 4.010 3.412 3.367 3.440 . 0 0 "[ . 1 . 2]" 1
490 1 51 TYR H 1 51 TYR HB3 . . 3.810 3.784 3.761 3.800 . 0 0 "[ . 1 . 2]" 1
491 1 50 GLY HA2 1 51 TYR H . . 3.390 3.086 3.055 3.125 . 0 0 "[ . 1 . 2]" 1
492 1 47 LYS HA 1 51 TYR H . . 4.150 4.135 4.019 4.178 0.028 10 0 "[ . 1 . 2]" 1
493 1 50 GLY H 1 51 TYR H . . 3.120 2.035 1.896 2.339 . 0 0 "[ . 1 . 2]" 1
494 1 49 LEU HB3 1 51 TYR H . . 4.420 3.895 3.773 4.008 . 0 0 "[ . 1 . 2]" 1
495 1 46 ALA MB 1 51 TYR H . . 3.760 3.696 3.620 3.789 0.029 8 0 "[ . 1 . 2]" 1
496 1 31 ILE MD 1 51 TYR H . . 5.500 5.516 5.490 5.566 0.066 8 0 "[ . 1 . 2]" 1
497 1 51 TYR H 1 56 LEU QD . . 4.410 4.088 3.934 4.343 . 0 0 "[ . 1 . 2]" 1
498 1 51 TYR HA 1 52 THR H . . 2.830 2.375 2.351 2.387 . 0 0 "[ . 1 . 2]" 1
499 1 51 TYR QD 1 52 THR H . . 4.210 4.131 4.118 4.160 . 0 0 "[ . 1 . 2]" 1
500 1 51 TYR H 1 52 THR H . . 4.690 4.499 4.489 4.514 . 0 0 "[ . 1 . 2]" 1
501 1 51 TYR HB3 1 52 THR H . . 3.490 2.560 2.528 2.618 . 0 0 "[ . 1 . 2]" 1
502 1 52 THR H 1 55 GLN HB3 . . 3.970 3.822 3.714 3.905 . 0 0 "[ . 1 . 2]" 1
503 1 52 THR H 1 52 THR MG . . 2.970 1.922 1.907 1.951 . 0 0 "[ . 1 . 2]" 1
504 1 46 ALA MB 1 52 THR H . . 4.460 4.228 4.151 4.278 . 0 0 "[ . 1 . 2]" 1
505 1 52 THR H 1 52 THR HB . . 3.940 2.804 2.751 2.829 . 0 0 "[ . 1 . 2]" 1
506 1 52 THR HB 1 53 LEU H . . 3.840 3.717 3.708 3.726 . 0 0 "[ . 1 . 2]" 1
507 1 53 LEU H 1 53 LEU HG . . 4.530 4.410 4.307 4.450 . 0 0 "[ . 1 . 2]" 1
508 1 52 THR MG 1 53 LEU H . . 4.660 3.460 3.298 3.512 . 0 0 "[ . 1 . 2]" 1
509 1 53 LEU H 1 53 LEU MD2 . . 5.500 4.186 4.119 4.235 . 0 0 "[ . 1 . 2]" 1
510 1 53 LEU H 1 53 LEU MD1 . . 5.500 4.160 4.103 4.224 . 0 0 "[ . 1 . 2]" 1
511 1 53 LEU H 1 54 ARG H . . 5.310 2.808 2.792 2.831 . 0 0 "[ . 1 . 2]" 1
512 1 54 ARG H 1 54 ARG HB3 . . 3.580 2.870 2.688 3.375 . 0 0 "[ . 1 . 2]" 1
513 1 52 THR MG 1 54 ARG H . . 4.930 2.286 2.052 2.379 . 0 0 "[ . 1 . 2]" 1
514 1 54 ARG H 1 55 GLN H . . 3.940 2.717 2.705 2.733 . 0 0 "[ . 1 . 2]" 1
515 1 52 THR H 1 55 GLN H . . 4.100 3.510 3.479 3.527 . 0 0 "[ . 1 . 2]" 1
516 1 55 GLN H 1 56 LEU H . . 3.420 2.827 2.802 2.865 . 0 0 "[ . 1 . 2]" 1
517 1 55 GLN H 1 57 ASP H . . 4.740 4.329 4.299 4.373 . 0 0 "[ . 1 . 2]" 1
518 1 51 TYR HB3 1 55 GLN H . . 4.680 4.381 4.334 4.422 . 0 0 "[ . 1 . 2]" 1
519 1 52 THR HB 1 55 GLN H . . 4.500 4.478 4.469 4.486 . 0 0 "[ . 1 . 2]" 1
520 1 54 ARG HB3 1 55 GLN H . . 3.810 2.425 2.340 2.840 . 0 0 "[ . 1 . 2]" 1
521 1 55 GLN H 1 56 LEU HB3 . . 5.210 5.110 5.061 5.174 . 0 0 "[ . 1 . 2]" 1
522 1 52 THR MG 1 55 GLN H . . 4.690 1.834 1.828 1.846 . 0 0 "[ . 1 . 2]" 1
523 1 55 GLN H 1 55 GLN HB3 . . 3.660 3.574 3.569 3.582 . 0 0 "[ . 1 . 2]" 1
524 1 55 GLN H 1 55 GLN HG3 . . 4.070 3.823 3.757 3.837 . 0 0 "[ . 1 . 2]" 1
525 1 53 LEU HA 1 56 LEU H . . 3.960 3.881 3.873 3.904 . 0 0 "[ . 1 . 2]" 1
526 1 51 TYR QD 1 56 LEU H . . 4.820 4.596 4.582 4.613 . 0 0 "[ . 1 . 2]" 1
527 1 56 LEU H 1 57 ASP H . . 3.450 2.890 2.877 2.922 . 0 0 "[ . 1 . 2]" 1
528 1 56 LEU H 1 56 LEU HB3 . . 3.160 2.736 2.677 2.821 . 0 0 "[ . 1 . 2]" 1
529 1 55 GLN HB3 1 56 LEU H . . 3.580 3.239 3.188 3.309 . 0 0 "[ . 1 . 2]" 1
530 1 52 THR H 1 56 LEU H . . 3.930 3.865 3.820 3.896 . 0 0 "[ . 1 . 2]" 1
531 1 57 ASP H 1 57 ASP HB3 . . 2.920 2.620 2.428 2.778 . 0 0 "[ . 1 . 2]" 1
532 1 56 LEU H 1 56 LEU HG . . 4.670 4.487 4.451 4.574 . 0 0 "[ . 1 . 2]" 1
533 1 56 LEU H 1 56 LEU QD . . 3.770 3.547 3.472 3.579 . 0 0 "[ . 1 . 2]" 1
534 1 56 LEU HB3 1 57 ASP H . . 3.670 2.301 2.279 2.325 . 0 0 "[ . 1 . 2]" 1
535 1 56 LEU QD 1 57 ASP H . . 3.930 3.655 3.536 3.880 . 0 0 "[ . 1 . 2]" 1
536 1 57 ASP H 1 58 TYR H . . 3.310 2.834 2.810 2.884 . 0 0 "[ . 1 . 2]" 1
537 1 57 ASP HB3 1 58 TYR H . . 3.350 2.488 2.383 2.592 . 0 0 "[ . 1 . 2]" 1
538 1 58 TYR H 1 58 TYR HB3 . . 3.180 2.921 2.729 3.030 . 0 0 "[ . 1 . 2]" 1
539 1 55 GLN HA 1 58 TYR H . . 3.810 3.653 3.588 3.718 . 0 0 "[ . 1 . 2]" 1
540 1 58 TYR H 1 58 TYR QD . . 3.930 3.891 3.739 4.112 0.182 13 0 "[ . 1 . 2]" 1
541 1 58 TYR H 1 59 ARG H . . 3.400 2.705 2.688 2.753 . 0 0 "[ . 1 . 2]" 1
542 1 54 ARG HA 1 58 TYR H . . 4.260 4.074 4.023 4.180 . 0 0 "[ . 1 . 2]" 1
543 1 59 ARG H 1 59 ARG HG3 . . 4.240 3.810 3.020 4.212 . 0 0 "[ . 1 . 2]" 1
544 1 31 ILE MD 1 59 ARG H . . 4.850 4.673 4.538 4.917 0.067 14 0 "[ . 1 . 2]" 1
545 1 56 LEU QD 1 59 ARG H . . 5.280 4.903 4.355 5.038 . 0 0 "[ . 1 . 2]" 1
546 1 59 ARG H 1 60 ILE MD . . 5.500 4.988 4.940 5.131 . 0 0 "[ . 1 . 2]" 1
547 1 58 TYR QD 1 59 ARG H . . 4.670 4.371 3.976 4.515 . 0 0 "[ . 1 . 2]" 1
548 1 59 ARG H 1 61 LYS H . . 4.420 4.129 4.076 4.192 . 0 0 "[ . 1 . 2]" 1
549 1 59 ARG H 1 60 ILE H . . 3.260 2.539 2.495 2.607 . 0 0 "[ . 1 . 2]" 1
550 1 58 TYR HB3 1 59 ARG H . . 3.460 2.770 2.664 2.881 . 0 0 "[ . 1 . 2]" 1
551 1 57 ASP HA 1 59 ARG H . . 4.680 4.238 4.175 4.319 . 0 0 "[ . 1 . 2]" 1
552 1 54 ARG HA 1 57 ASP H . . 4.170 3.924 3.855 3.980 . 0 0 "[ . 1 . 2]" 1
553 1 56 LEU HA 1 59 ARG H . . 4.160 3.470 3.430 3.508 . 0 0 "[ . 1 . 2]" 1
554 1 59 ARG H 1 59 ARG HD3 . . 4.850 3.657 2.504 4.764 . 0 0 "[ . 1 . 2]" 1
555 1 59 ARG H 1 60 ILE HB . . 5.030 4.730 4.662 4.810 . 0 0 "[ . 1 . 2]" 1
556 1 60 ILE H 1 60 ILE MD . . 3.110 3.153 3.118 3.191 0.081 14 0 "[ . 1 . 2]" 1
557 1 60 ILE H 1 60 ILE MG . . 3.930 3.759 3.756 3.763 . 0 0 "[ . 1 . 2]" 1
558 1 60 ILE H 1 60 ILE HB . . 2.820 2.499 2.480 2.520 . 0 0 "[ . 1 . 2]" 1
559 1 31 ILE MG 1 60 ILE H . . 4.100 3.953 3.830 4.055 . 0 0 "[ . 1 . 2]" 1
560 1 60 ILE H 1 61 LYS H . . 3.380 2.676 2.636 2.787 . 0 0 "[ . 1 . 2]" 1
561 1 57 ASP HA 1 61 LYS H . . 4.520 4.188 4.068 4.231 . 0 0 "[ . 1 . 2]" 1
562 1 58 TYR HA 1 61 LYS H . . 4.150 3.659 3.596 3.823 . 0 0 "[ . 1 . 2]" 1
563 1 61 LYS H 1 61 LYS HB3 . . 2.810 2.671 2.611 2.687 . 0 0 "[ . 1 . 2]" 1
564 1 61 LYS H 1 61 LYS HG3 . . 4.300 3.134 3.110 3.183 . 0 0 "[ . 1 . 2]" 1
565 1 60 ILE HB 1 61 LYS H . . 3.160 2.623 2.562 2.650 . 0 0 "[ . 1 . 2]" 1
566 1 60 ILE MG 1 61 LYS H . . 3.640 3.424 3.331 3.467 . 0 0 "[ . 1 . 2]" 1
567 1 60 ILE MD 1 61 LYS H . . 4.730 4.592 4.577 4.619 . 0 0 "[ . 1 . 2]" 1
568 1 59 ARG HA 1 61 LYS H . . 4.880 4.396 4.363 4.442 . 0 0 "[ . 1 . 2]" 1
569 1 59 ARG HA 1 62 LYS H . . 3.620 3.414 3.262 3.496 . 0 0 "[ . 1 . 2]" 1
570 1 58 TYR HA 1 62 LYS H . . 4.300 4.080 4.016 4.267 . 0 0 "[ . 1 . 2]" 1
571 1 61 LYS HG3 1 62 LYS H . . 3.970 2.233 2.089 2.565 . 0 0 "[ . 1 . 2]" 1
572 1 61 LYS H 1 62 LYS H . . 3.100 2.515 2.475 2.563 . 0 0 "[ . 1 . 2]" 1
573 1 63 TYR H 1 63 TYR HB3 . . 3.760 3.624 3.608 3.644 . 0 0 "[ . 1 . 2]" 1
574 1 60 ILE HA 1 63 TYR H . . 4.430 3.766 3.718 3.796 . 0 0 "[ . 1 . 2]" 1
575 1 59 ARG HA 1 63 TYR H . . 4.210 3.622 3.549 3.764 . 0 0 "[ . 1 . 2]" 1
576 1 61 LYS HA 1 63 TYR H . . 4.660 4.592 4.481 4.623 . 0 0 "[ . 1 . 2]" 1
577 1 63 TYR H 1 64 GLY HA3 . . 5.200 5.031 4.982 5.056 . 0 0 "[ . 1 . 2]" 1
578 1 63 TYR H 1 64 GLY HA2 . . 4.980 4.607 4.543 4.643 . 0 0 "[ . 1 . 2]" 1
579 1 60 ILE MD 1 63 TYR H . . 5.000 5.022 5.001 5.039 0.039 15 0 "[ . 1 . 2]" 1
580 1 62 LYS HB3 1 63 TYR H . . 3.140 3.034 2.971 3.099 . 0 0 "[ . 1 . 2]" 1
581 1 61 LYS HG3 1 63 TYR H . . 5.450 4.807 4.712 5.057 . 0 0 "[ . 1 . 2]" 1
582 1 63 TYR H 1 64 GLY H . . 3.350 2.402 2.351 2.429 . 0 0 "[ . 1 . 2]" 1
583 1 61 LYS HA 1 64 GLY H . . 3.970 3.409 3.322 3.444 . 0 0 "[ . 1 . 2]" 1
584 1 63 TYR HB3 1 64 GLY H . . 4.550 4.238 4.206 4.295 . 0 0 "[ . 1 . 2]" 1
585 1 62 LYS HA 1 64 GLY H . . 4.490 3.902 3.869 3.945 . 0 0 "[ . 1 . 2]" 1
586 1 60 ILE HA 1 64 GLY H . . 4.700 4.210 4.156 4.300 . 0 0 "[ . 1 . 2]" 1
587 1 61 LYS HB3 1 64 GLY H . . 5.500 5.558 5.523 5.574 0.074 6 0 "[ . 1 . 2]" 1
588 1 64 GLY H 1 65 ILE HB . . 5.500 5.435 5.407 5.452 . 0 0 "[ . 1 . 2]" 1
589 1 64 GLY H 1 65 ILE HG13 . . 4.190 3.802 3.772 3.814 . 0 0 "[ . 1 . 2]" 1
590 1 60 ILE MD 1 64 GLY H . . 5.500 5.479 5.436 5.524 0.024 8 0 "[ . 1 . 2]" 1
591 1 63 TYR HB3 1 65 ILE H . . 4.390 4.163 4.056 4.246 . 0 0 "[ . 1 . 2]" 1
592 1 64 GLY H 1 65 ILE H . . 3.350 2.880 2.861 2.889 . 0 0 "[ . 1 . 2]" 1
593 1 65 ILE H 1 66 GLU H . . 4.790 4.619 4.608 4.623 . 0 0 "[ . 1 . 2]" 1
594 1 64 GLY HA2 1 65 ILE H . . 3.360 2.780 2.773 2.799 . 0 0 "[ . 1 . 2]" 1
595 1 60 ILE HA 1 65 ILE H . . 3.600 2.834 2.747 2.968 . 0 0 "[ . 1 . 2]" 1
596 1 61 LYS HA 1 65 ILE H . . 4.660 4.448 4.355 4.515 . 0 0 "[ . 1 . 2]" 1
597 1 65 ILE H 1 65 ILE HB . . 2.810 2.680 2.670 2.700 . 0 0 "[ . 1 . 2]" 1
598 1 60 ILE MD 1 65 ILE H . . 4.270 3.705 3.675 3.757 . 0 0 "[ . 1 . 2]" 1
599 1 65 ILE H 1 65 ILE MG . . 4.580 3.776 3.771 3.780 . 0 0 "[ . 1 . 2]" 1
600 1 65 ILE HA 1 66 GLU H . . 2.540 2.300 2.266 2.307 . 0 0 "[ . 1 . 2]" 1
601 1 35 LEU MD1 1 66 GLU H . . 5.270 4.922 4.752 5.066 . 0 0 "[ . 1 . 2]" 1
602 1 65 ILE MG 1 66 GLU H . . 3.170 2.003 1.893 2.045 . 0 0 "[ . 1 . 2]" 1
603 1 60 ILE MG 1 65 ILE H . . 3.180 2.649 2.598 2.770 . 0 0 "[ . 1 . 2]" 1
604 1 65 ILE H 1 65 ILE HG13 . . 3.420 1.938 1.916 1.947 . 0 0 "[ . 1 . 2]" 1
605 1 65 ILE MD 1 66 GLU H . . 5.030 4.733 4.719 4.806 . 0 0 "[ . 1 . 2]" 1
606 1 65 ILE HB 1 66 GLU H . . 4.350 3.622 3.604 3.674 . 0 0 "[ . 1 . 2]" 1
607 1 66 GLU H 1 66 GLU HG3 . . 4.260 2.881 2.496 3.664 . 0 0 "[ . 1 . 2]" 1
608 1 66 GLU HA 1 67 LEU H . . 2.720 2.421 2.325 2.467 . 0 0 "[ . 1 . 2]" 1
609 1 67 LEU H 1 67 LEU HG . . 3.950 3.739 3.297 3.837 . 0 0 "[ . 1 . 2]" 1
610 1 67 LEU H 1 67 LEU MD1 . . 4.720 4.531 4.455 4.545 . 0 0 "[ . 1 . 2]" 1
611 1 67 LEU H 1 67 LEU MD2 . . 4.720 2.302 2.182 2.484 . 0 0 "[ . 1 . 2]" 1
612 1 65 ILE MG 1 67 LEU H . . 5.300 4.953 4.822 5.132 . 0 0 "[ . 1 . 2]" 1
613 1 66 GLU HG3 1 67 LEU H . . 5.310 4.505 3.252 4.999 . 0 0 "[ . 1 . 2]" 1
614 1 40 TYR QD 1 68 LYS H . . 3.570 2.910 2.660 3.000 . 0 0 "[ . 1 . 2]" 1
615 1 40 TYR QE 1 68 LYS H . . 4.210 4.003 3.798 4.184 . 0 0 "[ . 1 . 2]" 1
616 1 67 LEU HA 1 68 LYS H . . 2.890 2.194 2.167 2.303 . 0 0 "[ . 1 . 2]" 1
617 1 67 LEU MD2 1 68 LYS H . . 4.760 4.513 4.303 4.769 0.009 12 0 "[ . 1 . 2]" 1
618 1 67 LEU MD1 1 68 LYS H . . 4.760 4.583 4.165 4.702 . 0 0 "[ . 1 . 2]" 1
619 1 67 LEU HB3 1 68 LYS H . . 4.270 4.226 4.053 4.284 0.014 4 0 "[ . 1 . 2]" 1
620 1 67 LEU HG 1 68 LYS H . . 5.280 3.866 3.471 3.953 . 0 0 "[ . 1 . 2]" 1
621 1 68 LYS H 1 68 LYS HB3 . . 3.690 3.046 2.318 3.630 . 0 0 "[ . 1 . 2]" 1
622 1 35 LEU MD2 1 68 LYS H . . 5.500 5.460 5.311 5.510 0.010 2 0 "[ . 1 . 2]" 1
623 1 68 LYS H 1 69 LYS H . . 4.510 3.764 2.746 4.507 . 0 0 "[ . 1 . 2]" 1
624 1 68 LYS HB3 1 69 LYS H . . 4.770 3.478 2.037 4.520 . 0 0 "[ . 1 . 2]" 1
625 1 69 LYS H 1 69 LYS HB3 . . 4.000 3.263 2.779 3.758 . 0 0 "[ . 1 . 2]" 1
626 1 69 LYS HA 1 70 PHE H . . 2.750 2.366 2.164 2.863 0.113 12 0 "[ . 1 . 2]" 1
627 1 69 LYS HB3 1 70 PHE H . . 4.210 3.259 2.129 4.210 0.000 4 0 "[ . 1 . 2]" 1
628 1 21 LYS H 1 22 PHE H . . 4.120 2.405 2.307 2.832 . 0 0 "[ . 1 . 2]" 1
629 1 31 ILE H 1 31 ILE MG . . 3.830 3.763 3.760 3.765 . 0 0 "[ . 1 . 2]" 1
630 1 6 PRO HD3 1 7 GLU H . . 5.500 4.357 3.838 5.335 . 0 0 "[ . 1 . 2]" 1
631 1 5 LEU H 1 5 LEU HG . . 4.490 3.479 2.018 4.220 . 0 0 "[ . 1 . 2]" 1
632 1 5 LEU H 1 5 LEU MD1 . . 5.470 3.146 1.971 3.983 . 0 0 "[ . 1 . 2]" 1
633 1 5 LEU H 1 5 LEU MD2 . . 5.470 3.541 2.048 4.368 . 0 0 "[ . 1 . 2]" 1
634 1 23 ILE HA 1 27 GLU H . . 4.690 3.881 3.828 4.449 . 0 0 "[ . 1 . 2]" 1
635 1 26 THR HB 1 27 GLU H . . 3.980 3.888 2.924 3.974 . 0 0 "[ . 1 . 2]" 1
636 1 26 THR MG 1 27 GLU H . . 4.290 2.204 2.169 2.509 . 0 0 "[ . 1 . 2]" 1
637 1 44 ARG HA 1 47 LYS H . . 3.910 3.584 3.509 3.718 . 0 0 "[ . 1 . 2]" 1
638 1 47 LYS H 1 47 LYS HG3 . . 4.150 3.392 1.940 4.186 0.036 15 0 "[ . 1 . 2]" 1
639 1 46 ALA H 1 48 LEU H . . 4.560 3.852 3.790 3.951 . 0 0 "[ . 1 . 2]" 1
640 1 48 LEU H 1 51 TYR H . . 5.170 5.148 5.028 5.194 0.024 9 0 "[ . 1 . 2]" 1
641 1 36 GLU H 1 37 LYS H . . 3.420 2.723 2.676 2.760 . 0 0 "[ . 1 . 2]" 1
642 1 35 LEU MD2 1 36 GLU H . . 4.690 4.563 4.504 4.584 . 0 0 "[ . 1 . 2]" 1
643 1 36 GLU H 1 36 GLU HB3 . . 3.660 3.589 3.581 3.591 . 0 0 "[ . 1 . 2]" 1
644 1 36 GLU HB3 1 37 LYS H . . 4.080 3.766 3.683 3.865 . 0 0 "[ . 1 . 2]" 1
645 1 36 GLU H 1 36 GLU HG3 . . 3.350 2.910 2.651 3.057 . 0 0 "[ . 1 . 2]" 1
646 1 36 GLU HG3 1 37 LYS H . . 4.760 4.502 4.275 4.617 . 0 0 "[ . 1 . 2]" 1
647 1 35 LEU HA 1 37 LYS H . . 4.790 4.377 4.318 4.434 . 0 0 "[ . 1 . 2]" 1
648 1 34 ALA HA 1 37 LYS H . . 3.660 3.553 3.523 3.591 . 0 0 "[ . 1 . 2]" 1
649 1 37 LYS H 1 39 GLY H . . 4.270 3.866 3.848 3.904 . 0 0 "[ . 1 . 2]" 1
650 1 35 LEU HG 1 36 GLU H . . 4.750 4.658 4.629 4.726 . 0 0 "[ . 1 . 2]" 1
651 1 35 LEU MD1 1 36 GLU H . . 4.340 4.289 4.249 4.319 . 0 0 "[ . 1 . 2]" 1
652 1 35 LEU HB3 1 36 GLU H . . 3.740 3.021 2.930 3.061 . 0 0 "[ . 1 . 2]" 1
653 1 35 LEU H 1 36 GLU H . . 3.410 2.863 2.841 2.883 . 0 0 "[ . 1 . 2]" 1
654 1 25 GLU H 1 27 GLU H . . 4.500 3.818 3.773 4.374 . 0 0 "[ . 1 . 2]" 1
655 1 35 LEU H 1 37 LYS H . . 4.790 4.056 3.989 4.117 . 0 0 "[ . 1 . 2]" 1
656 1 27 GLU H 1 28 LYS H . . 3.800 2.613 2.608 2.653 . 0 0 "[ . 1 . 2]" 1
657 1 27 GLU H 1 28 LYS HB3 . . 5.040 4.712 4.641 4.780 . 0 0 "[ . 1 . 2]" 1
658 1 35 LEU H 1 45 ALA MB . . 3.820 3.034 2.917 3.341 . 0 0 "[ . 1 . 2]" 1
659 1 35 LEU H 1 38 THR MG . . 5.000 4.517 4.419 4.657 . 0 0 "[ . 1 . 2]" 1
660 1 23 ILE MG 1 25 GLU H . . 5.500 4.819 4.645 5.104 . 0 0 "[ . 1 . 2]" 1
661 1 35 LEU H 1 56 LEU QD . . 5.500 4.744 4.561 4.861 . 0 0 "[ . 1 . 2]" 1
662 1 32 ILE HA 1 35 LEU H . . 4.210 3.598 3.507 3.649 . 0 0 "[ . 1 . 2]" 1
663 1 25 GLU H 1 25 GLU HB3 . . 3.960 2.729 2.389 3.531 . 0 0 "[ . 1 . 2]" 1
664 1 24 GLU H 1 24 GLU HG3 . . 4.350 3.377 2.535 3.877 . 0 0 "[ . 1 . 2]" 1
665 1 23 ILE H 1 24 GLU H . . 4.550 2.628 2.502 2.805 . 0 0 "[ . 1 . 2]" 1
666 1 25 GLU HB3 1 26 THR H . . 4.420 2.642 2.433 3.283 . 0 0 "[ . 1 . 2]" 1
667 1 5 LEU H 1 5 LEU QD . . 4.680 2.576 1.963 3.414 . 0 0 "[ . 1 . 2]" 1
668 1 30 ARG HA 1 49 LEU QD . . 4.460 3.503 3.348 3.805 . 0 0 "[ . 1 . 2]" 1
669 1 30 ARG HB3 1 49 LEU QD . . 4.410 2.218 1.982 2.633 . 0 0 "[ . 1 . 2]" 1
670 1 31 ILE H 1 49 LEU QD . . 4.540 3.345 3.265 3.407 . 0 0 "[ . 1 . 2]" 1
671 1 31 ILE HA 1 49 LEU QD . . 2.990 1.845 1.750 1.880 . 0 0 "[ . 1 . 2]" 1
672 1 31 ILE MG 1 49 LEU QD . . 3.370 2.734 2.363 2.843 . 0 0 "[ . 1 . 2]" 1
673 1 31 ILE MD 1 49 LEU QD . . 3.610 1.782 1.700 1.800 . 0 0 "[ . 1 . 2]" 1
674 1 33 GLU HB3 1 49 LEU QD . . 5.440 4.066 3.968 4.240 . 0 0 "[ . 1 . 2]" 1
675 1 34 ALA H 1 48 LEU QD . . 4.760 4.728 4.607 4.778 0.018 4 0 "[ . 1 . 2]" 1
676 1 34 ALA H 1 49 LEU QD . . 3.920 3.146 3.069 3.341 . 0 0 "[ . 1 . 2]" 1
677 1 34 ALA HA 1 48 LEU QD . . 3.430 2.932 2.745 3.100 . 0 0 "[ . 1 . 2]" 1
678 1 34 ALA HA 1 49 LEU QD . . 4.280 3.974 3.892 4.128 . 0 0 "[ . 1 . 2]" 1
679 1 34 ALA MB 1 48 LEU QD . . 3.160 2.417 2.322 2.513 . 0 0 "[ . 1 . 2]" 1
680 1 34 ALA MB 1 49 LEU QD . . 2.790 1.853 1.791 1.944 . 0 0 "[ . 1 . 2]" 1
681 1 35 LEU HB3 1 67 LEU QD . . 5.440 4.247 3.639 4.599 . 0 0 "[ . 1 . 2]" 1
682 1 35 LEU MD1 1 67 LEU QD . . 3.100 2.904 2.430 3.095 . 0 0 "[ . 1 . 2]" 1
683 1 35 LEU MD2 1 49 LEU QD . . 4.800 4.536 4.116 4.792 . 0 0 "[ . 1 . 2]" 1
684 1 35 LEU MD2 1 67 LEU QD . . 3.590 2.343 1.917 2.605 . 0 0 "[ . 1 . 2]" 1
685 1 37 LYS H 1 48 LEU QD . . 5.280 4.839 4.594 5.147 . 0 0 "[ . 1 . 2]" 1
686 1 38 THR HA 1 48 LEU QD . . 4.390 3.813 3.702 4.023 . 0 0 "[ . 1 . 2]" 1
687 1 38 THR MG 1 48 LEU QD . . 2.840 1.908 1.818 2.086 . 0 0 "[ . 1 . 2]" 1
688 1 40 TYR HA 1 67 LEU QD . . 4.660 3.841 2.986 4.057 . 0 0 "[ . 1 . 2]" 1
689 1 40 TYR HB3 1 67 LEU QD . . 4.290 3.611 2.910 3.854 . 0 0 "[ . 1 . 2]" 1
690 1 40 TYR QD 1 67 LEU QD . . 4.420 4.281 3.712 4.425 0.005 15 0 "[ . 1 . 2]" 1
691 1 44 ARG HA 1 48 LEU QD . . 5.440 4.934 4.840 5.083 . 0 0 "[ . 1 . 2]" 1
692 1 45 ALA HA 1 48 LEU QD . . 3.760 3.356 3.123 3.450 . 0 0 "[ . 1 . 2]" 1
693 1 45 ALA HA 1 49 LEU QD . . 4.590 3.535 3.277 3.720 . 0 0 "[ . 1 . 2]" 1
694 1 45 ALA MB 1 49 LEU QD . . 3.350 2.502 2.179 2.712 . 0 0 "[ . 1 . 2]" 1
695 1 46 ALA H 1 49 LEU QD . . 4.330 4.289 3.945 4.377 0.047 6 0 "[ . 1 . 2]" 1
696 1 46 ALA HA 1 49 LEU QD . . 3.630 3.007 2.831 3.077 . 0 0 "[ . 1 . 2]" 1
697 1 46 ALA MB 1 49 LEU QD . . 4.390 4.156 4.025 4.235 . 0 0 "[ . 1 . 2]" 1
698 1 47 LYS H 1 49 LEU QD . . 5.440 5.395 5.203 5.462 0.022 16 0 "[ . 1 . 2]" 1
699 1 48 LEU H 1 49 LEU QD . . 4.880 4.732 4.493 4.829 . 0 0 "[ . 1 . 2]" 1
700 1 48 LEU QD 1 49 LEU H . . 4.210 3.343 3.098 3.491 . 0 0 "[ . 1 . 2]" 1
701 1 48 LEU QD 1 49 LEU QD . . 4.020 3.392 3.165 3.570 . 0 0 "[ . 1 . 2]" 1
702 1 49 LEU H 1 49 LEU QD . . 3.160 3.121 2.978 3.179 0.019 7 0 "[ . 1 . 2]" 1
703 1 49 LEU HA 1 49 LEU QD . . 3.180 2.376 2.206 2.553 . 0 0 "[ . 1 . 2]" 1
704 1 49 LEU QD 1 50 GLY H . . 4.610 4.087 3.983 4.298 . 0 0 "[ . 1 . 2]" 1
705 1 49 LEU QD 1 51 TYR H . . 4.310 4.176 4.098 4.236 . 0 0 "[ . 1 . 2]" 1
706 1 49 LEU QD 1 51 TYR QD . . 4.520 2.853 2.665 2.919 . 0 0 "[ . 1 . 2]" 1
707 1 49 LEU QD 1 51 TYR QE . . 4.210 2.775 2.566 2.975 . 0 0 "[ . 1 . 2]" 1
708 1 49 LEU QD 1 56 LEU HA . . 5.440 4.365 4.094 4.475 . 0 0 "[ . 1 . 2]" 1
709 1 49 LEU QD 1 56 LEU HG . . 5.440 4.037 3.966 4.197 . 0 0 "[ . 1 . 2]" 1
710 1 49 LEU QD 1 56 LEU QD . . 3.440 1.943 1.768 2.022 . 0 0 "[ . 1 . 2]" 1
711 1 53 LEU H 1 53 LEU QD . . 4.790 3.717 3.690 3.745 . 0 0 "[ . 1 . 2]" 1
712 1 53 LEU HA 1 53 LEU QD . . 3.490 2.720 2.107 3.105 . 0 0 "[ . 1 . 2]" 1
713 1 53 LEU QD 1 55 GLN H . . 5.350 5.120 4.906 5.335 . 0 0 "[ . 1 . 2]" 1
714 1 53 LEU QD 1 57 ASP HB3 . . 4.760 3.617 3.166 4.330 . 0 0 "[ . 1 . 2]" 1
715 1 65 ILE MG 1 67 LEU QD . . 4.370 4.001 3.406 4.145 . 0 0 "[ . 1 . 2]" 1
716 1 66 GLU H 1 67 LEU QD . . 4.720 4.591 4.223 4.688 . 0 0 "[ . 1 . 2]" 1
717 1 67 LEU H 1 67 LEU QD . . 3.820 2.296 2.177 2.472 . 0 0 "[ . 1 . 2]" 1
718 1 67 LEU HA 1 67 LEU QD . . 3.890 3.353 3.337 3.401 . 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 42
_Distance_constraint_stats_list.Viol_count 709
_Distance_constraint_stats_list.Viol_total 2463.816
_Distance_constraint_stats_list.Viol_max 0.364
_Distance_constraint_stats_list.Viol_rms 0.1179
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1467
_Distance_constraint_stats_list.Viol_average_violations_only 0.1738
_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 21 LYS 0.683 0.097 7 0 "[ . 1 . 2]"
1 25 GLU 1.680 0.097 7 0 "[ . 1 . 2]"
1 27 GLU 0.916 0.057 8 0 "[ . 1 . 2]"
1 28 LYS 0.146 0.036 8 0 "[ . 1 . 2]"
1 29 LYS 1.631 0.066 15 0 "[ . 1 . 2]"
1 30 ARG 0.032 0.022 10 0 "[ . 1 . 2]"
1 31 ILE 11.608 0.322 10 0 "[ . 1 . 2]"
1 32 ILE 10.181 0.305 2 0 "[ . 1 . 2]"
1 33 GLU 10.344 0.295 12 0 "[ . 1 . 2]"
1 34 ALA 5.754 0.258 16 0 "[ . 1 . 2]"
1 35 LEU 10.693 0.322 10 0 "[ . 1 . 2]"
1 36 GLU 10.035 0.305 2 0 "[ . 1 . 2]"
1 37 LYS 9.711 0.295 12 0 "[ . 1 . 2]"
1 38 THR 5.723 0.258 16 0 "[ . 1 . 2]"
1 41 VAL 5.220 0.222 13 0 "[ . 1 . 2]"
1 42 LYS 1.529 0.216 16 0 "[ . 1 . 2]"
1 43 SER 11.275 0.347 8 0 "[ . 1 . 2]"
1 44 ARG 3.112 0.219 2 0 "[ . 1 . 2]"
1 45 ALA 12.957 0.279 13 0 "[ . 1 . 2]"
1 46 ALA 1.529 0.216 16 0 "[ . 1 . 2]"
1 47 LYS 11.275 0.347 8 0 "[ . 1 . 2]"
1 48 LEU 3.112 0.219 2 0 "[ . 1 . 2]"
1 49 LEU 7.737 0.279 13 0 "[ . 1 . 2]"
1 52 THR 3.533 0.152 16 0 "[ . 1 . 2]"
1 53 LEU 8.941 0.286 14 0 "[ . 1 . 2]"
1 54 ARG 10.086 0.303 14 0 "[ . 1 . 2]"
1 55 GLN 13.069 0.364 19 0 "[ . 1 . 2]"
1 56 LEU 10.921 0.233 5 0 "[ . 1 . 2]"
1 57 ASP 20.675 0.338 6 0 "[ . 1 . 2]"
1 58 TYR 10.086 0.303 14 0 "[ . 1 . 2]"
1 59 ARG 13.069 0.364 19 0 "[ . 1 . 2]"
1 60 ILE 7.388 0.233 5 0 "[ . 1 . 2]"
1 61 LYS 11.734 0.338 6 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 21 LYS O 1 25 GLU H . . 2.000 2.034 2.018 2.097 0.097 7 0 "[ . 1 . 2]" 2
2 1 21 LYS O 1 25 GLU N . . 3.000 2.851 2.816 2.973 . 0 0 "[ . 1 . 2]" 2
3 1 25 GLU O 1 29 LYS H . . 2.000 2.050 2.006 2.066 0.066 15 0 "[ . 1 . 2]" 2
4 1 25 GLU O 1 29 LYS N . . 3.000 2.964 2.913 2.990 . 0 0 "[ . 1 . 2]" 2
5 1 27 GLU O 1 31 ILE H . . 2.000 2.037 1.965 2.057 0.057 8 0 "[ . 1 . 2]" 2
6 1 27 GLU O 1 31 ILE N . . 3.000 3.003 2.922 3.028 0.028 8 0 "[ . 1 . 2]" 2
7 1 28 LYS O 1 32 ILE H . . 2.000 1.998 1.958 2.036 0.036 8 0 "[ . 1 . 2]" 2
8 1 28 LYS O 1 32 ILE N . . 3.000 2.968 2.930 3.004 0.004 8 0 "[ . 1 . 2]" 2
9 1 29 LYS O 1 33 GLU H . . 2.000 2.032 2.012 2.039 0.039 15 0 "[ . 1 . 2]" 2
10 1 29 LYS O 1 33 GLU N . . 3.000 2.862 2.853 2.873 . 0 0 "[ . 1 . 2]" 2
11 1 30 ARG O 1 34 ALA H . . 2.000 1.940 1.852 2.022 0.022 10 0 "[ . 1 . 2]" 2
12 1 30 ARG O 1 34 ALA N . . 3.000 2.909 2.825 2.986 . 0 0 "[ . 1 . 2]" 2
13 1 31 ILE O 1 35 LEU H . . 1.800 2.039 2.019 2.075 0.275 10 0 "[ . 1 . 2]" 2
14 1 31 ILE O 1 35 LEU N . . 2.700 2.995 2.973 3.022 0.322 10 0 "[ . 1 . 2]" 2
15 1 32 ILE O 1 36 GLU H . . 1.800 2.015 2.003 2.034 0.234 2 0 "[ . 1 . 2]" 2
16 1 32 ILE O 1 36 GLU N . . 2.700 2.987 2.975 3.005 0.305 2 0 "[ . 1 . 2]" 2
17 1 33 GLU O 1 37 LYS H . . 1.800 2.040 2.020 2.067 0.267 12 0 "[ . 1 . 2]" 2
18 1 33 GLU O 1 37 LYS N . . 2.700 2.945 2.901 2.995 0.295 12 0 "[ . 1 . 2]" 2
19 1 34 ALA O 1 38 THR H . . 1.800 2.042 2.032 2.058 0.258 16 0 "[ . 1 . 2]" 2
20 1 34 ALA O 1 38 THR N . . 2.700 2.744 2.730 2.767 0.067 12 0 "[ . 1 . 2]" 2
21 1 41 VAL O 1 45 ALA H . . 1.800 1.923 1.790 2.022 0.222 13 0 "[ . 1 . 2]" 2
22 1 41 VAL O 1 45 ALA N . . 2.700 2.838 2.742 2.920 0.220 13 0 "[ . 1 . 2]" 2
23 1 42 LYS O 1 46 ALA H . . 1.800 1.850 1.791 2.016 0.216 16 0 "[ . 1 . 2]" 2
24 1 42 LYS O 1 46 ALA N . . 2.700 2.725 2.688 2.888 0.188 16 0 "[ . 1 . 2]" 2
25 1 43 SER O 1 47 LYS H . . 1.800 2.045 2.027 2.069 0.269 8 0 "[ . 1 . 2]" 2
26 1 43 SER O 1 47 LYS N . . 2.700 3.019 3.001 3.047 0.347 8 0 "[ . 1 . 2]" 2
27 1 44 ARG O 1 48 LEU H . . 1.800 1.885 1.816 2.019 0.219 2 0 "[ . 1 . 2]" 2
28 1 44 ARG O 1 48 LEU N . . 2.700 2.770 2.706 2.884 0.184 8 0 "[ . 1 . 2]" 2
29 1 45 ALA O 1 49 LEU H . . 1.800 1.971 1.800 2.029 0.229 18 0 "[ . 1 . 2]" 2
30 1 45 ALA O 1 49 LEU N . . 2.700 2.916 2.760 2.979 0.279 13 0 "[ . 1 . 2]" 2
31 1 52 THR O 1 56 LEU H . . 1.800 1.858 1.822 1.894 0.094 16 0 "[ . 1 . 2]" 2
32 1 52 THR O 1 56 LEU N . . 2.700 2.818 2.780 2.852 0.152 16 0 "[ . 1 . 2]" 2
33 1 53 LEU O 1 57 ASP H . . 1.800 2.016 1.975 2.053 0.253 14 0 "[ . 1 . 2]" 2
34 1 53 LEU O 1 57 ASP N . . 2.700 2.931 2.880 2.986 0.286 14 0 "[ . 1 . 2]" 2
35 1 54 ARG O 1 58 TYR H . . 1.800 2.036 2.015 2.077 0.277 14 0 "[ . 1 . 2]" 2
36 1 54 ARG O 1 58 TYR N . . 2.700 2.969 2.948 3.003 0.303 14 0 "[ . 1 . 2]" 2
37 1 55 GLN O 1 59 ARG H . . 1.800 2.142 2.085 2.164 0.364 19 0 "[ . 1 . 2]" 2
38 1 55 GLN O 1 59 ARG N . . 2.700 3.012 2.968 3.041 0.341 8 0 "[ . 1 . 2]" 2
39 1 56 LEU O 1 60 ILE H . . 1.800 1.978 1.851 2.033 0.233 5 0 "[ . 1 . 2]" 2
40 1 56 LEU O 1 60 ILE N . . 2.700 2.891 2.806 2.924 0.224 8 0 "[ . 1 . 2]" 2
41 1 57 ASP O 1 61 LYS H . . 1.800 2.073 2.058 2.086 0.286 5 0 "[ . 1 . 2]" 2
42 1 57 ASP O 1 61 LYS N . . 2.700 3.014 2.998 3.038 0.338 6 0 "[ . 1 . 2]" 2
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