NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
463251 |
2juh   |
15444 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2juh
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 919
_Distance_constraint_stats_list.Viol_count 1043
_Distance_constraint_stats_list.Viol_total 951.442
_Distance_constraint_stats_list.Viol_max 0.637
_Distance_constraint_stats_list.Viol_rms 0.0162
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0456
_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 2 VAL 0.002 0.002 5 0 "[ . 1 . 2]"
1 3 ASN 0.002 0.002 5 0 "[ . 1 . 2]"
1 20 PHE 0.183 0.080 1 0 "[ . 1 . 2]"
1 21 SER 0.049 0.039 18 0 "[ . 1 . 2]"
1 22 VAL 0.216 0.062 1 0 "[ . 1 . 2]"
1 23 ALA 0.083 0.039 18 0 "[ . 1 . 2]"
1 24 GLU 0.040 0.024 5 0 "[ . 1 . 2]"
1 25 VAL 0.784 0.109 1 0 "[ . 1 . 2]"
1 26 GLU 0.029 0.018 1 0 "[ . 1 . 2]"
1 27 ALA 0.536 0.109 1 0 "[ . 1 . 2]"
1 28 LEU 3.019 0.127 10 0 "[ . 1 . 2]"
1 29 VAL 1.064 0.112 10 0 "[ . 1 . 2]"
1 30 GLU 0.010 0.010 3 0 "[ . 1 . 2]"
1 31 ALA 1.448 0.103 13 0 "[ . 1 . 2]"
1 32 VAL 7.124 0.226 19 0 "[ . 1 . 2]"
1 33 GLU 0.352 0.043 16 0 "[ . 1 . 2]"
1 34 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 1.342 0.102 17 0 "[ . 1 . 2]"
1 36 GLY 6.832 0.226 19 0 "[ . 1 . 2]"
1 37 THR 1.469 0.119 6 0 "[ . 1 . 2]"
1 38 GLY 0.114 0.035 11 0 "[ . 1 . 2]"
1 39 ARG 0.479 0.087 10 0 "[ . 1 . 2]"
1 40 TRP 0.503 0.110 15 0 "[ . 1 . 2]"
1 41 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.556 0.065 11 0 "[ . 1 . 2]"
1 43 VAL 2.008 0.102 17 0 "[ . 1 . 2]"
1 44 LYS 0.005 0.005 16 0 "[ . 1 . 2]"
1 45 MET 0.006 0.006 7 0 "[ . 1 . 2]"
1 46 ARG 0.107 0.100 7 0 "[ . 1 . 2]"
1 47 ALA 0.961 0.103 13 0 "[ . 1 . 2]"
1 48 PHE 0.487 0.053 14 0 "[ . 1 . 2]"
1 49 ASP 0.197 0.055 9 0 "[ . 1 . 2]"
1 50 ASN 0.097 0.097 13 0 "[ . 1 . 2]"
1 51 ALA 0.476 0.097 13 0 "[ . 1 . 2]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 HIS 0.060 0.041 14 0 "[ . 1 . 2]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 THR 0.073 0.022 7 0 "[ . 1 . 2]"
1 56 TYR 1.197 0.637 13 1 "[ . 1 + . 2]"
1 57 VAL 0.066 0.023 13 0 "[ . 1 . 2]"
1 58 ASP 0.130 0.070 15 0 "[ . 1 . 2]"
1 59 LEU 0.606 0.110 15 0 "[ . 1 . 2]"
1 60 LYS 0.096 0.092 15 0 "[ . 1 . 2]"
1 61 ASP 0.060 0.044 15 0 "[ . 1 . 2]"
1 62 LYS 0.119 0.036 10 0 "[ . 1 . 2]"
1 63 TRP 2.929 0.107 13 0 "[ . 1 . 2]"
1 64 LYS 0.516 0.065 9 0 "[ . 1 . 2]"
1 65 THR 0.048 0.025 9 0 "[ . 1 . 2]"
1 66 LEU 2.696 0.243 15 0 "[ . 1 . 2]"
1 67 VAL 5.406 0.222 16 0 "[ . 1 . 2]"
1 68 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 THR 5.067 0.280 15 0 "[ . 1 . 2]"
1 70 ALA 6.240 0.288 11 0 "[ . 1 . 2]"
1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ILE 4.651 0.222 16 0 "[ . 1 . 2]"
1 73 ALA 0.450 0.084 1 0 "[ . 1 . 2]"
1 74 PRO 0.079 0.021 16 0 "[ . 1 . 2]"
1 75 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLN 0.450 0.084 1 0 "[ . 1 . 2]"
1 77 ARG 0.079 0.021 16 0 "[ . 1 . 2]"
1 78 ARG 0.003 0.003 2 0 "[ . 1 . 2]"
1 80 GLU 0.110 0.110 20 0 "[ . 1 . 2]"
1 81 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 VAL 4.145 0.225 9 0 "[ . 1 . 2]"
1 83 PRO 0.039 0.018 11 0 "[ . 1 . 2]"
1 84 GLN 0.199 0.046 16 0 "[ . 1 . 2]"
1 85 ASP 0.076 0.020 2 0 "[ . 1 . 2]"
1 86 LEU 1.474 0.128 19 0 "[ . 1 . 2]"
1 87 LEU 8.238 0.288 11 0 "[ . 1 . 2]"
1 88 ASP 0.549 0.157 12 0 "[ . 1 . 2]"
1 89 ARG 0.480 0.079 10 0 "[ . 1 . 2]"
1 90 VAL 4.738 0.183 15 0 "[ . 1 . 2]"
1 91 LEU 3.471 0.283 18 0 "[ . 1 . 2]"
1 92 ALA 0.100 0.026 7 0 "[ . 1 . 2]"
1 93 ALA 1.673 0.176 10 0 "[ . 1 . 2]"
1 94 HIS 1.061 0.173 16 0 "[ . 1 . 2]"
1 95 ALA 0.020 0.006 19 0 "[ . 1 . 2]"
1 96 TYR 0.301 0.030 18 0 "[ . 1 . 2]"
1 97 TRP 1.533 0.131 10 0 "[ . 1 . 2]"
1 98 SER 0.031 0.014 16 0 "[ . 1 . 2]"
1 99 GLN 0.051 0.011 5 0 "[ . 1 . 2]"
1 100 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 GLN 0.029 0.011 5 0 "[ . 1 . 2]"
1 106 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 GLU 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 32 VAL HA 1 32 VAL MG2 . . 3.330 2.301 2.266 2.376 . 0 0 "[ . 1 . 2]" 1
2 1 29 VAL HA 1 32 VAL MG2 . . 4.560 3.794 3.131 4.591 0.031 10 0 "[ . 1 . 2]" 1
3 1 32 VAL MG2 1 36 GLY HA2 . . 4.980 4.450 3.293 5.206 0.226 19 0 "[ . 1 . 2]" 1
4 1 36 GLY HA3 1 37 THR MG . . 5.110 4.687 4.125 5.111 0.001 8 0 "[ . 1 . 2]" 1
5 1 36 GLY HA2 1 37 THR MG . . 4.660 3.903 3.373 4.370 . 0 0 "[ . 1 . 2]" 1
6 1 35 LEU HA 1 35 LEU HG . . 4.010 3.300 2.954 3.697 . 0 0 "[ . 1 . 2]" 1
7 1 33 GLU HA 1 33 GLU HG3 . . 3.880 3.322 2.687 3.574 . 0 0 "[ . 1 . 2]" 1
8 1 30 GLU HA 1 33 GLU HB3 . . 4.480 3.807 3.493 4.142 . 0 0 "[ . 1 . 2]" 1
9 1 32 VAL HA 1 35 LEU H . . 4.420 3.685 3.592 3.741 . 0 0 "[ . 1 . 2]" 1
10 1 32 VAL HA 1 36 GLY HA3 . . 5.100 5.008 4.898 5.172 0.072 10 0 "[ . 1 . 2]" 1
11 1 29 VAL HA 1 32 VAL HB . . 4.380 3.095 2.223 4.148 . 0 0 "[ . 1 . 2]" 1
12 1 28 LEU HA 1 31 ALA MB . . 3.910 2.968 2.538 3.458 . 0 0 "[ . 1 . 2]" 1
13 1 29 VAL HA 1 31 ALA MB . . 5.310 4.907 4.714 5.116 . 0 0 "[ . 1 . 2]" 1
14 1 31 ALA MB 1 32 VAL HA . . 3.910 3.831 3.760 3.870 . 0 0 "[ . 1 . 2]" 1
15 1 31 ALA MB 1 43 VAL HB . . 4.740 3.977 3.780 4.120 . 0 0 "[ . 1 . 2]" 1
16 1 31 ALA MB 1 46 ARG HB3 . . 3.870 2.354 1.939 2.827 . 0 0 "[ . 1 . 2]" 1
17 1 31 ALA MB 1 59 LEU MD1 . . 5.500 4.592 4.160 5.327 . 0 0 "[ . 1 . 2]" 1
18 1 31 ALA MB 1 48 PHE HD1 . . 5.390 5.338 4.986 5.440 0.050 13 0 "[ . 1 . 2]" 1
19 1 31 ALA MB 1 44 LYS H . . 5.030 4.792 4.672 4.924 . 0 0 "[ . 1 . 2]" 1
20 1 31 ALA HA 1 43 VAL HA . . 4.350 4.179 3.985 4.349 . 0 0 "[ . 1 . 2]" 1
21 1 31 ALA HA 1 47 ALA MB . . 4.670 4.626 4.196 4.773 0.103 13 0 "[ . 1 . 2]" 1
22 1 30 GLU HB3 1 31 ALA H . . 4.600 3.489 3.133 3.878 . 0 0 "[ . 1 . 2]" 1
23 1 72 ILE HA 1 73 ALA MB . . 4.900 4.803 4.772 4.841 . 0 0 "[ . 1 . 2]" 1
24 1 28 LEU HG 1 29 VAL HA . . 5.500 5.534 5.427 5.612 0.112 10 0 "[ . 1 . 2]" 1
25 1 28 LEU HB3 1 29 VAL HA . . 4.900 3.990 3.892 4.114 . 0 0 "[ . 1 . 2]" 1
26 1 29 VAL HB 1 30 GLU H . . 4.170 2.985 2.201 3.897 . 0 0 "[ . 1 . 2]" 1
27 1 27 ALA MB 1 47 ALA MB . . 2.880 2.113 1.893 2.376 . 0 0 "[ . 1 . 2]" 1
28 1 27 ALA MB 1 31 ALA MB . . 4.190 3.830 3.579 4.175 . 0 0 "[ . 1 . 2]" 1
29 1 27 ALA MB 1 47 ALA HA . . 4.020 2.261 1.923 2.841 . 0 0 "[ . 1 . 2]" 1
30 1 26 GLU HB3 1 86 LEU MD1 . . 4.500 3.766 2.724 4.510 0.010 10 0 "[ . 1 . 2]" 1
31 1 25 VAL HA 1 28 LEU HB3 . . 4.100 3.315 2.707 4.068 . 0 0 "[ . 1 . 2]" 1
32 1 25 VAL HA 1 25 VAL MG2 . . 3.430 2.364 2.277 2.447 . 0 0 "[ . 1 . 2]" 1
33 1 20 PHE QD 1 25 VAL HA . . 5.080 4.324 2.863 4.904 . 0 0 "[ . 1 . 2]" 1
34 1 25 VAL HA 1 27 ALA H . . 4.890 4.099 3.742 4.679 . 0 0 "[ . 1 . 2]" 1
35 1 25 VAL HA 1 28 LEU H . . 4.540 3.261 3.007 3.505 . 0 0 "[ . 1 . 2]" 1
36 1 25 VAL HB 1 66 LEU MD1 . . 5.500 4.371 3.968 4.750 . 0 0 "[ . 1 . 2]" 1
37 1 25 VAL HB 1 66 LEU MD2 . . 5.500 4.793 4.347 5.337 . 0 0 "[ . 1 . 2]" 1
38 1 22 VAL HA 1 25 VAL HB . . 4.400 3.092 2.487 4.462 0.062 1 0 "[ . 1 . 2]" 1
39 1 25 VAL HB 1 26 GLU H . . 4.130 2.968 2.718 4.104 . 0 0 "[ . 1 . 2]" 1
40 1 24 GLU H 1 25 VAL HB . . 5.500 4.883 4.708 5.286 . 0 0 "[ . 1 . 2]" 1
41 1 25 VAL HB 1 27 ALA H . . 5.500 5.214 4.954 5.609 0.109 1 0 "[ . 1 . 2]" 1
42 1 23 ALA MB 1 26 GLU H . . 5.060 4.731 4.598 4.797 . 0 0 "[ . 1 . 2]" 1
43 1 22 VAL HA 1 25 VAL H . . 4.110 3.732 3.500 3.955 . 0 0 "[ . 1 . 2]" 1
44 1 35 LEU HG 1 39 ARG HB3 . . 5.500 4.764 3.384 5.526 0.026 17 0 "[ . 1 . 2]" 1
45 1 40 TRP HA 1 43 VAL HB . . 3.870 2.555 2.327 2.646 . 0 0 "[ . 1 . 2]" 1
46 1 41 ARG HA 1 44 LYS HB3 . . 4.260 3.497 2.937 4.196 . 0 0 "[ . 1 . 2]" 1
47 1 41 ARG HA 1 41 ARG HG3 . . 4.050 3.315 2.271 3.925 . 0 0 "[ . 1 . 2]" 1
48 1 41 ARG HA 1 44 LYS H . . 4.460 3.564 3.440 3.819 . 0 0 "[ . 1 . 2]" 1
49 1 31 ALA MB 1 43 VAL HA . . 3.800 1.988 1.899 2.271 . 0 0 "[ . 1 . 2]" 1
50 1 43 VAL HA 1 46 ARG HB3 . . 4.650 2.463 2.266 2.810 . 0 0 "[ . 1 . 2]" 1
51 1 32 VAL HA 1 43 VAL HA . . 5.500 4.893 4.506 5.263 . 0 0 "[ . 1 . 2]" 1
52 1 75 GLN HA 1 77 ARG H . . 4.510 3.748 3.354 4.233 . 0 0 "[ . 1 . 2]" 1
53 1 45 MET HA 1 45 MET HG3 . . 3.870 3.594 3.222 3.815 . 0 0 "[ . 1 . 2]" 1
54 1 47 ALA MB 1 48 PHE HD1 . . 3.260 2.402 2.067 2.646 . 0 0 "[ . 1 . 2]" 1
55 1 31 ALA MB 1 47 ALA MB . . 3.190 2.212 1.918 2.323 . 0 0 "[ . 1 . 2]" 1
56 1 46 ARG HB3 1 47 ALA MB . . 4.820 3.902 3.817 4.001 . 0 0 "[ . 1 . 2]" 1
57 1 27 ALA HA 1 47 ALA MB . . 3.950 3.850 3.602 4.009 0.059 14 0 "[ . 1 . 2]" 1
58 1 44 LYS HA 1 47 ALA MB . . 4.270 3.070 2.779 3.345 . 0 0 "[ . 1 . 2]" 1
59 1 28 LEU H 1 47 ALA MB . . 4.370 3.485 3.149 3.977 . 0 0 "[ . 1 . 2]" 1
60 1 43 VAL HA 1 47 ALA MB . . 4.590 3.887 3.804 4.030 . 0 0 "[ . 1 . 2]" 1
61 1 49 ASP HB3 1 50 ASN H . . 4.620 2.794 2.757 2.837 . 0 0 "[ . 1 . 2]" 1
62 1 48 PHE HB3 1 51 ALA MB . . 3.790 3.055 2.244 3.601 . 0 0 "[ . 1 . 2]" 1
63 1 51 ALA MB 1 52 ASP HA . . 4.840 4.262 3.797 4.586 . 0 0 "[ . 1 . 2]" 1
64 1 48 PHE HA 1 51 ALA MB . . 4.720 4.609 4.269 4.773 0.053 14 0 "[ . 1 . 2]" 1
65 1 49 ASP H 1 51 ALA MB . . 5.000 4.963 4.794 5.055 0.055 9 0 "[ . 1 . 2]" 1
66 1 63 TRP HA 1 63 TRP HD1 . . 4.290 3.333 2.888 4.331 0.041 10 0 "[ . 1 . 2]" 1
67 1 56 TYR HA 1 56 TYR HD1 . . 4.210 4.124 4.002 4.296 0.086 9 0 "[ . 1 . 2]" 1
68 1 63 TRP HA 1 66 LEU H . . 4.660 3.344 3.193 3.523 . 0 0 "[ . 1 . 2]" 1
69 1 63 TRP HA 1 66 LEU HG . . 4.490 4.306 4.054 4.509 0.019 18 0 "[ . 1 . 2]" 1
70 1 56 TYR HA 1 59 LEU MD2 . . 4.980 2.311 1.964 3.685 . 0 0 "[ . 1 . 2]" 1
71 1 59 LEU HB3 1 60 LYS H . . 4.630 3.871 3.713 4.174 . 0 0 "[ . 1 . 2]" 1
72 1 59 LEU HA 1 59 LEU MD2 . . 4.250 3.978 2.174 4.121 . 0 0 "[ . 1 . 2]" 1
73 1 59 LEU HA 1 59 LEU MD1 . . 4.250 3.566 3.399 3.969 . 0 0 "[ . 1 . 2]" 1
74 1 66 LEU HA 1 66 LEU HG . . 3.970 2.527 2.277 3.470 . 0 0 "[ . 1 . 2]" 1
75 1 63 TRP HA 1 64 LYS HA . . 5.050 4.849 4.801 4.878 . 0 0 "[ . 1 . 2]" 1
76 1 64 LYS HA 1 66 LEU H . . 4.650 4.264 4.169 4.565 . 0 0 "[ . 1 . 2]" 1
77 1 65 THR HA 1 68 HIS H . . 4.270 3.678 3.491 3.837 . 0 0 "[ . 1 . 2]" 1
78 1 66 LEU HA 1 69 THR HA . . 5.500 5.550 5.462 5.635 0.135 15 0 "[ . 1 . 2]" 1
79 1 67 VAL HA 1 90 VAL MG2 . . 4.730 3.669 2.438 4.344 . 0 0 "[ . 1 . 2]" 1
80 1 57 VAL HB 1 58 ASP H . . 4.080 3.980 3.965 4.005 . 0 0 "[ . 1 . 2]" 1
81 1 64 LYS HA 1 67 VAL HB . . 5.210 3.954 3.396 4.811 . 0 0 "[ . 1 . 2]" 1
82 1 67 VAL HB 1 68 HIS H . . 4.100 2.874 2.238 3.939 . 0 0 "[ . 1 . 2]" 1
83 1 69 THR HA 1 72 ILE MD . . 4.780 4.674 4.552 4.815 0.035 17 0 "[ . 1 . 2]" 1
84 1 69 THR HA 1 72 ILE HB . . 5.190 4.990 4.800 5.222 0.032 19 0 "[ . 1 . 2]" 1
85 1 66 LEU HA 1 69 THR HB . . 4.080 2.827 2.711 3.034 . 0 0 "[ . 1 . 2]" 1
86 1 70 ALA HA 1 87 LEU HB3 . . 4.420 2.082 1.955 2.712 . 0 0 "[ . 1 . 2]" 1
87 1 69 THR MG 1 70 ALA HA . . 4.100 3.346 2.827 3.622 . 0 0 "[ . 1 . 2]" 1
88 1 70 ALA HA 1 87 LEU MD2 . . 4.070 2.158 1.974 2.462 . 0 0 "[ . 1 . 2]" 1
89 1 67 VAL HA 1 70 ALA MB . . 3.780 2.693 2.419 2.842 . 0 0 "[ . 1 . 2]" 1
90 1 70 ALA MB 1 90 VAL HB . . 4.820 4.122 3.116 4.959 0.139 8 0 "[ . 1 . 2]" 1
91 1 70 ALA MB 1 91 LEU MD1 . . 3.070 1.899 1.744 3.223 0.153 18 0 "[ . 1 . 2]" 1
92 1 67 VAL MG1 1 70 ALA MB . . 4.640 3.688 3.036 4.749 0.109 14 0 "[ . 1 . 2]" 1
93 1 68 HIS HA 1 70 ALA MB . . 4.700 4.581 4.493 4.699 . 0 0 "[ . 1 . 2]" 1
94 1 72 ILE HB 1 73 ALA HA . . 4.810 4.712 4.661 4.782 . 0 0 "[ . 1 . 2]" 1
95 1 73 ALA HA 1 74 PRO HA . . 4.590 4.405 4.390 4.424 . 0 0 "[ . 1 . 2]" 1
96 1 72 ILE MG 1 73 ALA MB . . 4.080 2.368 2.203 2.464 . 0 0 "[ . 1 . 2]" 1
97 1 96 TYR HA 1 96 TYR HD2 . . 4.500 4.335 4.231 4.503 0.003 1 0 "[ . 1 . 2]" 1
98 1 92 ALA MB 1 94 HIS H . . 4.920 4.511 4.409 4.660 . 0 0 "[ . 1 . 2]" 1
99 1 95 ALA MB 1 96 TYR HB3 . . 4.670 4.520 4.455 4.573 . 0 0 "[ . 1 . 2]" 1
100 1 95 ALA MB 1 99 GLN H . . 4.940 4.826 4.468 4.890 . 0 0 "[ . 1 . 2]" 1
101 1 33 GLU HG3 1 93 ALA MB . . 3.820 3.437 2.687 3.785 . 0 0 "[ . 1 . 2]" 1
102 1 92 ALA MB 1 93 ALA MB . . 3.660 3.501 3.403 3.642 . 0 0 "[ . 1 . 2]" 1
103 1 93 ALA MB 1 96 TYR HB3 . . 4.360 4.003 3.857 4.374 0.014 17 0 "[ . 1 . 2]" 1
104 1 33 GLU HA 1 93 ALA MB . . 3.210 2.364 2.179 2.685 . 0 0 "[ . 1 . 2]" 1
105 1 36 GLY HA3 1 93 ALA MB . . 4.980 5.018 4.971 5.156 0.176 10 0 "[ . 1 . 2]" 1
106 1 37 THR MG 1 93 ALA MB . . 3.770 3.428 3.019 3.811 0.041 16 0 "[ . 1 . 2]" 1
107 1 93 ALA MB 1 97 TRP HD1 . . 2.980 2.386 2.175 2.715 . 0 0 "[ . 1 . 2]" 1
108 1 91 LEU H 1 91 LEU HB3 . . 3.960 3.456 3.287 3.541 . 0 0 "[ . 1 . 2]" 1
109 1 91 LEU HB3 1 92 ALA H . . 4.290 3.402 2.935 3.740 . 0 0 "[ . 1 . 2]" 1
110 1 91 LEU HB3 1 91 LEU MD1 . . 3.670 2.706 2.325 3.190 . 0 0 "[ . 1 . 2]" 1
111 1 91 LEU HA 1 91 LEU MD2 . . 3.980 2.719 1.931 3.823 . 0 0 "[ . 1 . 2]" 1
112 1 91 LEU HA 1 91 LEU HG . . 3.770 2.809 2.600 3.675 . 0 0 "[ . 1 . 2]" 1
113 1 90 VAL HA 1 93 ALA MB . . 4.200 3.364 2.785 3.592 . 0 0 "[ . 1 . 2]" 1
114 1 89 ARG HA 1 92 ALA H . . 4.360 3.410 3.283 3.522 . 0 0 "[ . 1 . 2]" 1
115 1 89 ARG HA 1 89 ARG HG3 . . 4.180 3.509 2.915 3.808 . 0 0 "[ . 1 . 2]" 1
116 1 89 ARG HA 1 92 ALA MB . . 3.600 2.594 2.238 2.937 . 0 0 "[ . 1 . 2]" 1
117 1 87 LEU HA 1 90 VAL H . . 4.210 3.621 3.393 3.850 . 0 0 "[ . 1 . 2]" 1
118 1 87 LEU HA 1 87 LEU MD1 . . 4.310 3.809 3.781 3.864 . 0 0 "[ . 1 . 2]" 1
119 1 86 LEU HB3 1 87 LEU HA . . 4.710 4.446 4.246 4.698 . 0 0 "[ . 1 . 2]" 1
120 1 87 LEU HA 1 90 VAL HB . . 4.800 3.114 2.344 3.697 . 0 0 "[ . 1 . 2]" 1
121 1 86 LEU HB3 1 87 LEU H . . 4.760 3.587 3.329 3.949 . 0 0 "[ . 1 . 2]" 1
122 1 86 LEU HA 1 86 LEU HG . . 3.870 3.310 3.177 3.467 . 0 0 "[ . 1 . 2]" 1
123 1 85 ASP HB3 1 86 LEU H . . 4.440 2.610 2.444 2.750 . 0 0 "[ . 1 . 2]" 1
124 1 84 GLN HA 1 87 LEU HB3 . . 4.390 4.198 3.912 4.417 0.027 12 0 "[ . 1 . 2]" 1
125 1 84 GLN HA 1 87 LEU HG . . 5.210 3.486 3.279 3.735 . 0 0 "[ . 1 . 2]" 1
126 1 84 GLN HA 1 85 ASP HA . . 5.010 4.794 4.762 4.842 . 0 0 "[ . 1 . 2]" 1
127 1 84 GLN HA 1 88 ASP H . . 4.380 3.678 3.275 3.989 . 0 0 "[ . 1 . 2]" 1
128 1 84 GLN HA 1 87 LEU HA . . 5.500 5.310 5.132 5.468 . 0 0 "[ . 1 . 2]" 1
129 1 84 GLN HA 1 87 LEU MD1 . . 4.860 3.114 2.843 3.256 . 0 0 "[ . 1 . 2]" 1
130 1 82 VAL HA 1 83 PRO HD3 . . 3.550 2.257 2.252 2.264 . 0 0 "[ . 1 . 2]" 1
131 1 82 VAL H 1 82 VAL HB . . 3.970 3.323 2.677 3.897 . 0 0 "[ . 1 . 2]" 1
132 1 80 GLU HA 1 81 PRO HD3 . . 3.280 2.324 2.251 2.352 . 0 0 "[ . 1 . 2]" 1
133 1 80 GLU HB3 1 81 PRO HD3 . . 4.770 3.852 3.439 4.645 . 0 0 "[ . 1 . 2]" 1
134 1 22 VAL HA 1 22 VAL MG2 . . 3.580 2.649 2.280 3.203 . 0 0 "[ . 1 . 2]" 1
135 1 22 VAL MG2 1 83 PRO HD3 . . 4.850 3.197 2.059 4.868 0.018 11 0 "[ . 1 . 2]" 1
136 1 22 VAL MG2 1 23 ALA H . . 4.320 3.238 1.976 3.918 . 0 0 "[ . 1 . 2]" 1
137 1 22 VAL MG1 1 23 ALA H . . 4.320 3.706 3.457 4.017 . 0 0 "[ . 1 . 2]" 1
138 1 22 VAL H 1 22 VAL MG1 . . 4.000 3.239 2.156 3.766 . 0 0 "[ . 1 . 2]" 1
139 1 22 VAL MG1 1 83 PRO HD3 . . 4.850 2.802 1.907 3.514 . 0 0 "[ . 1 . 2]" 1
140 1 25 VAL HA 1 25 VAL MG1 . . 3.430 2.485 2.307 3.179 . 0 0 "[ . 1 . 2]" 1
141 1 25 VAL MG1 1 26 GLU H . . 4.020 3.345 1.888 3.733 . 0 0 "[ . 1 . 2]" 1
142 1 29 VAL HA 1 29 VAL MG2 . . 3.710 2.380 2.288 2.447 . 0 0 "[ . 1 . 2]" 1
143 1 29 VAL MG2 1 30 GLU H . . 3.700 3.496 3.191 3.710 0.010 3 0 "[ . 1 . 2]" 1
144 1 29 VAL H 1 29 VAL MG1 . . 3.840 2.913 1.832 3.774 . 0 0 "[ . 1 . 2]" 1
145 1 22 VAL HA 1 22 VAL MG1 . . 3.580 2.313 2.185 2.398 . 0 0 "[ . 1 . 2]" 1
146 1 29 VAL HA 1 29 VAL MG1 . . 3.710 2.700 2.195 3.201 . 0 0 "[ . 1 . 2]" 1
147 1 31 ALA MB 1 32 VAL MG1 . . 5.270 4.544 3.719 5.074 . 0 0 "[ . 1 . 2]" 1
148 1 32 VAL MG1 1 36 GLY HA2 . . 4.980 3.912 3.143 5.094 0.114 2 0 "[ . 1 . 2]" 1
149 1 32 VAL HA 1 32 VAL MG1 . . 3.330 2.763 2.393 3.203 . 0 0 "[ . 1 . 2]" 1
150 1 29 VAL HA 1 32 VAL MG1 . . 4.560 3.006 1.839 3.942 . 0 0 "[ . 1 . 2]" 1
151 1 31 ALA MB 1 32 VAL MG2 . . 5.270 3.830 3.068 4.875 . 0 0 "[ . 1 . 2]" 1
152 1 43 VAL HA 1 43 VAL MG2 . . 3.290 2.333 2.288 2.369 . 0 0 "[ . 1 . 2]" 1
153 1 40 TRP HA 1 43 VAL MG2 . . 3.580 2.682 2.259 3.214 . 0 0 "[ . 1 . 2]" 1
154 1 42 ASP HB3 1 43 VAL MG2 . . 4.830 4.452 4.049 4.647 . 0 0 "[ . 1 . 2]" 1
155 1 32 VAL HA 1 43 VAL MG2 . . 3.810 2.251 1.962 2.522 . 0 0 "[ . 1 . 2]" 1
156 1 43 VAL MG2 1 46 ARG HB3 . . 4.530 4.226 4.025 4.536 0.006 1 0 "[ . 1 . 2]" 1
157 1 31 ALA MB 1 43 VAL MG2 . . 3.370 2.570 2.266 2.744 . 0 0 "[ . 1 . 2]" 1
158 1 35 LEU HB3 1 43 VAL MG2 . . 3.600 2.964 2.331 3.415 . 0 0 "[ . 1 . 2]" 1
159 1 32 VAL MG2 1 43 VAL MG2 . . 4.420 2.631 2.006 3.204 . 0 0 "[ . 1 . 2]" 1
160 1 32 VAL MG1 1 43 VAL MG2 . . 4.420 3.810 3.583 4.079 . 0 0 "[ . 1 . 2]" 1
161 1 42 ASP HA 1 43 VAL MG2 . . 5.440 5.047 4.979 5.157 . 0 0 "[ . 1 . 2]" 1
162 1 28 LEU HA 1 43 VAL MG2 . . 5.110 4.964 4.759 5.129 0.019 9 0 "[ . 1 . 2]" 1
163 1 42 ASP H 1 43 VAL MG2 . . 4.600 4.258 4.045 4.409 . 0 0 "[ . 1 . 2]" 1
164 1 43 VAL MG2 1 47 ALA H . . 5.340 5.203 5.089 5.317 . 0 0 "[ . 1 . 2]" 1
165 1 31 ALA H 1 43 VAL MG2 . . 4.800 4.812 4.678 4.846 0.046 16 0 "[ . 1 . 2]" 1
166 1 36 GLY H 1 43 VAL MG2 . . 4.400 4.191 3.837 4.413 0.013 4 0 "[ . 1 . 2]" 1
167 1 35 LEU H 1 43 VAL MG2 . . 4.590 3.993 3.570 4.362 . 0 0 "[ . 1 . 2]" 1
168 1 31 ALA H 1 43 VAL MG1 . . 4.440 4.147 3.919 4.330 . 0 0 "[ . 1 . 2]" 1
169 1 43 VAL MG1 1 47 ALA H . . 4.220 3.655 3.473 3.761 . 0 0 "[ . 1 . 2]" 1
170 1 43 VAL MG1 1 48 PHE HD1 . . 4.240 4.159 3.881 4.289 0.049 7 0 "[ . 1 . 2]" 1
171 1 43 VAL HA 1 43 VAL MG1 . . 3.490 2.427 2.372 2.500 . 0 0 "[ . 1 . 2]" 1
172 1 31 ALA MB 1 43 VAL MG1 . . 2.960 1.897 1.804 2.015 . 0 0 "[ . 1 . 2]" 1
173 1 43 VAL MG1 1 59 LEU MD2 . . 3.640 2.558 1.973 3.050 . 0 0 "[ . 1 . 2]" 1
174 1 32 VAL HA 1 43 VAL MG1 . . 4.240 3.698 3.356 4.051 . 0 0 "[ . 1 . 2]" 1
175 1 40 TRP HA 1 43 VAL MG1 . . 4.130 3.884 3.662 3.962 . 0 0 "[ . 1 . 2]" 1
176 1 43 VAL MG1 1 44 LYS HA . . 4.300 3.410 3.232 3.553 . 0 0 "[ . 1 . 2]" 1
177 1 43 VAL MG1 1 59 LEU MD1 . . 3.640 2.147 1.810 2.938 . 0 0 "[ . 1 . 2]" 1
178 1 28 LEU H 1 43 VAL MG1 . . 5.460 5.272 4.980 5.494 0.034 6 0 "[ . 1 . 2]" 1
179 1 57 VAL HA 1 57 VAL MG2 . . 3.150 2.272 2.223 2.365 . 0 0 "[ . 1 . 2]" 1
180 1 57 VAL MG2 1 58 ASP HA . . 3.950 3.774 3.674 3.883 . 0 0 "[ . 1 . 2]" 1
181 1 57 VAL HA 1 57 VAL MG1 . . 3.300 3.194 3.190 3.204 . 0 0 "[ . 1 . 2]" 1
182 1 57 VAL MG1 1 58 ASP HA . . 4.340 3.278 3.033 3.402 . 0 0 "[ . 1 . 2]" 1
183 1 57 VAL H 1 57 VAL MG1 . . 3.130 2.063 1.923 2.263 . 0 0 "[ . 1 . 2]" 1
184 1 57 VAL MG1 1 58 ASP H . . 3.840 1.995 1.918 2.210 . 0 0 "[ . 1 . 2]" 1
185 1 67 VAL HA 1 67 VAL MG1 . . 3.230 2.659 2.287 3.198 . 0 0 "[ . 1 . 2]" 1
186 1 67 VAL MG1 1 91 LEU HA . . 4.900 4.074 2.971 5.097 0.197 14 0 "[ . 1 . 2]" 1
187 1 67 VAL MG1 1 94 HIS HA . . 5.500 5.315 4.705 5.643 0.143 17 0 "[ . 1 . 2]" 1
188 1 67 VAL H 1 67 VAL MG1 . . 3.880 3.098 1.859 3.764 . 0 0 "[ . 1 . 2]" 1
189 1 67 VAL HA 1 67 VAL MG2 . . 3.230 2.382 2.260 2.474 . 0 0 "[ . 1 . 2]" 1
190 1 67 VAL MG2 1 91 LEU HA . . 4.900 3.448 2.307 4.816 . 0 0 "[ . 1 . 2]" 1
191 1 67 VAL MG2 1 70 ALA MB . . 4.640 3.796 3.042 4.407 . 0 0 "[ . 1 . 2]" 1
192 1 67 VAL MG2 1 94 HIS HA . . 5.500 4.695 4.036 5.493 . 0 0 "[ . 1 . 2]" 1
193 1 67 VAL MG2 1 68 HIS H . . 3.850 3.610 3.395 3.827 . 0 0 "[ . 1 . 2]" 1
194 1 82 VAL HA 1 82 VAL MG1 . . 3.320 2.637 2.211 3.199 . 0 0 "[ . 1 . 2]" 1
195 1 82 VAL HA 1 82 VAL MG2 . . 3.320 2.756 2.421 3.200 . 0 0 "[ . 1 . 2]" 1
196 1 66 LEU HB3 1 90 VAL MG1 . . 4.200 2.705 1.989 4.302 0.102 15 0 "[ . 1 . 2]" 1
197 1 67 VAL HA 1 90 VAL MG1 . . 4.730 2.112 1.918 2.436 . 0 0 "[ . 1 . 2]" 1
198 1 90 VAL MG1 1 91 LEU H . . 4.210 2.569 1.966 3.373 . 0 0 "[ . 1 . 2]" 1
199 1 90 VAL H 1 90 VAL MG2 . . 3.770 2.984 1.993 3.730 . 0 0 "[ . 1 . 2]" 1
200 1 90 VAL MG2 1 91 LEU H . . 4.210 3.937 3.727 4.158 . 0 0 "[ . 1 . 2]" 1
201 1 66 LEU HB3 1 90 VAL MG2 . . 4.200 2.527 1.934 3.130 . 0 0 "[ . 1 . 2]" 1
202 1 37 THR H 1 37 THR MG . . 3.530 2.908 2.486 3.217 . 0 0 "[ . 1 . 2]" 1
203 1 37 THR MG 1 63 TRP HD1 . . 4.040 4.040 3.958 4.108 0.068 7 0 "[ . 1 . 2]" 1
204 1 37 THR HA 1 37 THR MG . . 3.250 2.227 1.963 2.449 . 0 0 "[ . 1 . 2]" 1
205 1 32 VAL MG2 1 37 THR MG . . 3.820 2.887 1.804 3.731 . 0 0 "[ . 1 . 2]" 1
206 1 32 VAL MG1 1 37 THR MG . . 3.820 2.708 1.914 3.736 . 0 0 "[ . 1 . 2]" 1
207 1 55 THR HA 1 55 THR MG . . 3.400 2.695 2.015 3.206 . 0 0 "[ . 1 . 2]" 1
208 1 65 THR HA 1 65 THR MG . . 3.210 3.205 3.200 3.207 . 0 0 "[ . 1 . 2]" 1
209 1 55 THR MG 1 57 VAL H . . 4.330 2.760 1.968 3.231 . 0 0 "[ . 1 . 2]" 1
210 1 55 THR MG 1 57 VAL HA . . 4.890 4.663 3.742 4.912 0.022 7 0 "[ . 1 . 2]" 1
211 1 55 THR MG 1 57 VAL MG1 . . 4.200 2.163 1.706 2.824 . 0 0 "[ . 1 . 2]" 1
212 1 65 THR MG 1 66 LEU H . . 3.670 2.237 2.089 2.293 . 0 0 "[ . 1 . 2]" 1
213 1 65 THR MG 1 66 LEU HA . . 4.230 3.104 3.004 3.274 . 0 0 "[ . 1 . 2]" 1
214 1 65 THR MG 1 66 LEU MD1 . . 5.470 4.177 3.811 4.508 . 0 0 "[ . 1 . 2]" 1
215 1 65 THR MG 1 66 LEU MD2 . . 5.470 4.413 3.861 4.689 . 0 0 "[ . 1 . 2]" 1
216 1 69 THR HA 1 69 THR MG . . 3.350 2.558 2.385 3.067 . 0 0 "[ . 1 . 2]" 1
217 1 32 VAL H 1 43 VAL MG1 . . 4.290 3.412 3.169 3.733 . 0 0 "[ . 1 . 2]" 1
218 1 66 LEU HA 1 69 THR MG . . 4.230 3.818 2.802 4.129 . 0 0 "[ . 1 . 2]" 1
219 1 69 THR MG 1 82 VAL HB . . 3.810 3.349 2.626 3.826 0.016 7 0 "[ . 1 . 2]" 1
220 1 69 THR MG 1 87 LEU HG . . 3.510 3.673 3.567 3.790 0.280 15 0 "[ . 1 . 2]" 1
221 1 69 THR MG 1 87 LEU MD1 . . 3.130 2.012 1.913 2.379 . 0 0 "[ . 1 . 2]" 1
222 1 69 THR MG 1 87 LEU MD2 . . 3.130 1.866 1.736 1.929 . 0 0 "[ . 1 . 2]" 1
223 1 28 LEU MD1 1 62 LYS H . . 5.210 4.738 4.410 5.192 . 0 0 "[ . 1 . 2]" 1
224 1 28 LEU HA 1 28 LEU MD1 . . 4.080 2.612 2.241 3.139 . 0 0 "[ . 1 . 2]" 1
225 1 28 LEU MD1 1 43 VAL MG2 . . 5.020 3.995 3.554 4.446 . 0 0 "[ . 1 . 2]" 1
226 1 28 LEU MD2 1 43 VAL MG2 . . 5.020 4.421 3.645 4.946 . 0 0 "[ . 1 . 2]" 1
227 1 28 LEU MD2 1 62 LYS H . . 5.210 4.325 3.883 4.628 . 0 0 "[ . 1 . 2]" 1
228 1 28 LEU HA 1 28 LEU MD2 . . 4.080 2.127 1.933 2.386 . 0 0 "[ . 1 . 2]" 1
229 1 35 LEU HA 1 35 LEU MD2 . . 4.090 2.616 2.241 2.904 . 0 0 "[ . 1 . 2]" 1
230 1 35 LEU MD2 1 42 ASP HA . . 4.870 4.347 3.839 4.917 0.047 7 0 "[ . 1 . 2]" 1
231 1 35 LEU MD2 1 43 VAL HA . . 4.480 3.789 2.823 4.427 . 0 0 "[ . 1 . 2]" 1
232 1 35 LEU H 1 35 LEU MD1 . . 3.900 3.449 3.277 3.716 . 0 0 "[ . 1 . 2]" 1
233 1 35 LEU MD1 1 42 ASP HA . . 4.870 3.716 3.438 4.109 . 0 0 "[ . 1 . 2]" 1
234 1 35 LEU HA 1 35 LEU MD1 . . 4.090 3.159 1.938 3.976 . 0 0 "[ . 1 . 2]" 1
235 1 35 LEU MD1 1 43 VAL HA . . 4.480 2.970 1.894 4.557 0.077 6 0 "[ . 1 . 2]" 1
236 1 35 LEU HG 1 36 GLY H . . 5.370 4.751 4.236 5.403 0.033 6 0 "[ . 1 . 2]" 1
237 1 87 LEU HA 1 87 LEU MD2 . . 4.310 1.933 1.918 1.962 . 0 0 "[ . 1 . 2]" 1
238 1 70 ALA H 1 87 LEU MD2 . . 4.290 2.555 2.427 2.781 . 0 0 "[ . 1 . 2]" 1
239 1 87 LEU MD2 1 88 ASP H . . 4.900 4.578 4.520 4.672 . 0 0 "[ . 1 . 2]" 1
240 1 82 VAL HA 1 87 LEU MD2 . . 5.290 5.277 5.003 5.341 0.051 12 0 "[ . 1 . 2]" 1
241 1 84 GLN HA 1 87 LEU MD2 . . 4.860 4.796 4.628 4.906 0.046 16 0 "[ . 1 . 2]" 1
242 1 87 LEU HB3 1 87 LEU MD2 . . 3.480 2.440 2.340 2.478 . 0 0 "[ . 1 . 2]" 1
243 1 70 ALA HA 1 87 LEU MD1 . . 4.070 1.966 1.905 2.067 . 0 0 "[ . 1 . 2]" 1
244 1 87 LEU MD1 1 88 ASP H . . 4.900 4.606 4.315 4.803 . 0 0 "[ . 1 . 2]" 1
245 1 82 VAL HA 1 87 LEU MD1 . . 5.290 4.825 4.268 5.107 . 0 0 "[ . 1 . 2]" 1
246 1 87 LEU HB3 1 87 LEU MD1 . . 3.480 2.222 2.163 2.342 . 0 0 "[ . 1 . 2]" 1
247 1 40 TRP HA 1 59 LEU MD1 . . 4.390 2.255 1.906 2.670 . 0 0 "[ . 1 . 2]" 1
248 1 56 TYR HA 1 59 LEU MD1 . . 4.980 4.139 2.607 4.995 0.015 13 0 "[ . 1 . 2]" 1
249 1 31 ALA MB 1 59 LEU MD2 . . 5.500 4.957 4.541 5.271 . 0 0 "[ . 1 . 2]" 1
250 1 40 TRP HA 1 59 LEU MD2 . . 4.390 3.066 2.122 4.500 0.110 15 0 "[ . 1 . 2]" 1
251 1 59 LEU H 1 59 LEU MD2 . . 4.300 3.020 2.761 3.205 . 0 0 "[ . 1 . 2]" 1
252 1 59 LEU MD2 1 60 LYS H . . 4.430 3.848 3.651 4.408 . 0 0 "[ . 1 . 2]" 1
253 1 66 LEU HB3 1 66 LEU MD1 . . 3.660 2.436 2.249 3.195 . 0 0 "[ . 1 . 2]" 1
254 1 66 LEU HA 1 66 LEU MD1 . . 4.200 3.688 2.427 3.784 . 0 0 "[ . 1 . 2]" 1
255 1 66 LEU H 1 66 LEU MD2 . . 4.620 4.230 4.069 4.359 . 0 0 "[ . 1 . 2]" 1
256 1 66 LEU HB3 1 66 LEU MD2 . . 3.660 2.258 2.147 2.364 . 0 0 "[ . 1 . 2]" 1
257 1 66 LEU HA 1 66 LEU MD2 . . 4.200 2.500 2.152 3.979 . 0 0 "[ . 1 . 2]" 1
258 1 66 LEU MD2 1 67 VAL H . . 4.620 3.986 3.761 4.365 . 0 0 "[ . 1 . 2]" 1
259 1 72 ILE HA 1 72 ILE MG . . 3.040 2.487 2.446 2.551 . 0 0 "[ . 1 . 2]" 1
260 1 68 HIS H 1 72 ILE MG . . 5.500 5.088 5.019 5.249 . 0 0 "[ . 1 . 2]" 1
261 1 71 SER H 1 72 ILE MG . . 5.500 5.075 5.033 5.139 . 0 0 "[ . 1 . 2]" 1
262 1 72 ILE HB 1 72 ILE MD . . 3.160 2.244 2.196 2.352 . 0 0 "[ . 1 . 2]" 1
263 1 72 ILE MD 1 72 ILE MG . . 3.330 3.232 3.212 3.254 . 0 0 "[ . 1 . 2]" 1
264 1 72 ILE MD 1 91 LEU MD1 . . 3.490 2.983 2.550 3.496 0.006 3 0 "[ . 1 . 2]" 1
265 1 72 ILE HA 1 72 ILE MD . . 3.720 2.861 2.561 3.012 . 0 0 "[ . 1 . 2]" 1
266 1 72 ILE MD 1 73 ALA H . . 4.090 3.808 3.723 3.950 . 0 0 "[ . 1 . 2]" 1
267 1 67 VAL HB 1 72 ILE MD . . 5.500 4.269 3.724 4.794 . 0 0 "[ . 1 . 2]" 1
268 1 86 LEU HA 1 86 LEU MD2 . . 3.150 2.055 1.950 2.229 . 0 0 "[ . 1 . 2]" 1
269 1 86 LEU MD2 1 87 LEU H . . 4.620 4.490 4.342 4.599 . 0 0 "[ . 1 . 2]" 1
270 1 26 GLU HA 1 86 LEU MD2 . . 3.310 2.041 1.877 2.600 . 0 0 "[ . 1 . 2]" 1
271 1 72 ILE MD 1 91 LEU MD2 . . 3.490 2.692 1.879 3.497 0.007 2 0 "[ . 1 . 2]" 1
272 1 86 LEU HB3 1 86 LEU MD2 . . 3.190 2.431 2.355 2.488 . 0 0 "[ . 1 . 2]" 1
273 1 25 VAL HB 1 86 LEU MD1 . . 4.040 2.667 1.960 4.065 0.025 1 0 "[ . 1 . 2]" 1
274 1 83 PRO HD3 1 86 LEU MD1 . . 3.960 3.778 3.532 3.964 0.004 13 0 "[ . 1 . 2]" 1
275 1 26 GLU HA 1 86 LEU MD1 . . 3.670 2.422 1.958 2.867 . 0 0 "[ . 1 . 2]" 1
276 1 86 LEU HA 1 86 LEU MD1 . . 3.900 3.817 3.748 3.885 . 0 0 "[ . 1 . 2]" 1
277 1 82 VAL HA 1 86 LEU MD1 . . 5.410 4.965 4.553 5.313 . 0 0 "[ . 1 . 2]" 1
278 1 86 LEU HB3 1 86 LEU MD1 . . 3.530 2.309 2.162 2.415 . 0 0 "[ . 1 . 2]" 1
279 1 70 ALA MB 1 91 LEU MD2 . . 3.070 2.253 1.762 2.785 . 0 0 "[ . 1 . 2]" 1
280 1 67 VAL HA 1 91 LEU MD2 . . 5.060 3.965 2.369 5.063 0.003 13 0 "[ . 1 . 2]" 1
281 1 91 LEU HA 1 91 LEU MD1 . . 3.980 3.017 1.952 3.849 . 0 0 "[ . 1 . 2]" 1
282 1 91 LEU H 1 91 LEU MD1 . . 3.800 3.329 2.305 4.083 0.283 18 0 "[ . 1 . 2]" 1
283 1 67 VAL HA 1 91 LEU MD1 . . 5.060 3.825 2.190 5.021 . 0 0 "[ . 1 . 2]" 1
284 1 91 LEU HB3 1 91 LEU MD2 . . 3.670 2.428 2.227 3.191 . 0 0 "[ . 1 . 2]" 1
285 1 70 ALA MB 1 91 LEU HG . . 4.070 2.740 1.992 3.872 . 0 0 "[ . 1 . 2]" 1
286 1 78 ARG HA 1 78 ARG HG3 . . 3.860 3.014 2.023 3.810 . 0 0 "[ . 1 . 2]" 1
287 1 78 ARG HB3 1 78 ARG HD3 . . 4.070 3.281 2.191 4.073 0.003 2 0 "[ . 1 . 2]" 1
288 1 78 ARG HA 1 78 ARG HD3 . . 4.270 3.399 2.118 4.251 . 0 0 "[ . 1 . 2]" 1
289 1 30 GLU HA 1 30 GLU HG3 . . 4.090 3.078 2.600 3.722 . 0 0 "[ . 1 . 2]" 1
290 1 83 PRO HB3 1 86 LEU H . . 4.680 4.357 4.137 4.551 . 0 0 "[ . 1 . 2]" 1
291 1 83 PRO HB3 1 85 ASP H . . 4.880 4.072 3.972 4.198 . 0 0 "[ . 1 . 2]" 1
292 1 83 PRO HB3 1 86 LEU MD1 . . 4.690 4.060 3.536 4.454 . 0 0 "[ . 1 . 2]" 1
293 1 75 GLN HA 1 75 GLN HG3 . . 3.930 3.739 3.626 3.862 . 0 0 "[ . 1 . 2]" 1
294 1 73 ALA MB 1 75 GLN HG3 . . 4.940 3.664 2.833 4.917 . 0 0 "[ . 1 . 2]" 1
295 1 51 ALA H 1 51 ALA MB . . 3.120 2.383 2.104 2.783 . 0 0 "[ . 1 . 2]" 1
296 1 50 ASN H 1 51 ALA H . . 3.860 3.374 2.155 3.726 . 0 0 "[ . 1 . 2]" 1
297 1 21 SER H 1 24 GLU H . . 3.920 3.468 2.972 3.881 . 0 0 "[ . 1 . 2]" 1
298 1 20 PHE QD 1 21 SER H . . 4.610 3.956 3.355 4.327 . 0 0 "[ . 1 . 2]" 1
299 1 21 SER H 1 21 SER HB3 . . 3.820 3.636 3.535 3.746 . 0 0 "[ . 1 . 2]" 1
300 1 20 PHE HA 1 21 SER H . . 2.860 2.213 2.143 2.241 . 0 0 "[ . 1 . 2]" 1
301 1 21 SER H 1 23 ALA MB . . 5.330 5.013 4.573 5.369 0.039 18 0 "[ . 1 . 2]" 1
302 1 21 SER H 1 23 ALA H . . 5.230 4.841 4.464 5.155 . 0 0 "[ . 1 . 2]" 1
303 1 58 ASP HA 1 60 LYS H . . 4.940 4.331 4.001 4.908 . 0 0 "[ . 1 . 2]" 1
304 1 59 LEU HG 1 60 LYS H . . 3.490 2.277 1.913 3.582 0.092 15 0 "[ . 1 . 2]" 1
305 1 59 LEU MD1 1 60 LYS H . . 4.430 3.111 2.178 4.000 . 0 0 "[ . 1 . 2]" 1
306 1 38 GLY H 1 40 TRP H . . 5.500 5.300 4.924 5.535 0.035 11 0 "[ . 1 . 2]" 1
307 1 39 ARG H 1 40 TRP H . . 3.610 3.489 3.091 3.634 0.024 16 0 "[ . 1 . 2]" 1
308 1 39 ARG HA 1 40 TRP H . . 3.340 2.385 2.298 2.507 . 0 0 "[ . 1 . 2]" 1
309 1 40 TRP H 1 40 TRP HB3 . . 3.600 3.589 3.579 3.597 . 0 0 "[ . 1 . 2]" 1
310 1 40 TRP H 1 43 VAL MG2 . . 5.010 4.351 4.061 4.564 . 0 0 "[ . 1 . 2]" 1
311 1 39 ARG HG3 1 40 TRP H . . 5.500 5.163 4.879 5.587 0.087 10 0 "[ . 1 . 2]" 1
312 1 40 TRP H 1 43 VAL HB . . 5.180 5.108 4.957 5.203 0.023 1 0 "[ . 1 . 2]" 1
313 1 30 GLU H 1 31 ALA H . . 3.200 2.794 2.657 2.881 . 0 0 "[ . 1 . 2]" 1
314 1 29 VAL H 1 31 ALA H . . 4.480 4.086 3.809 4.326 . 0 0 "[ . 1 . 2]" 1
315 1 31 ALA H 1 33 GLU H . . 4.320 3.845 3.619 3.995 . 0 0 "[ . 1 . 2]" 1
316 1 28 LEU HA 1 31 ALA H . . 4.070 3.856 3.628 4.043 . 0 0 "[ . 1 . 2]" 1
317 1 31 ALA H 1 32 VAL HA . . 5.280 5.215 5.180 5.305 0.025 13 0 "[ . 1 . 2]" 1
318 1 29 VAL HA 1 31 ALA H . . 4.560 4.296 4.012 4.537 . 0 0 "[ . 1 . 2]" 1
319 1 31 ALA H 1 31 ALA MB . . 2.820 2.209 2.032 2.261 . 0 0 "[ . 1 . 2]" 1
320 1 31 ALA H 1 47 ALA MB . . 3.950 3.873 3.547 3.996 0.046 8 0 "[ . 1 . 2]" 1
321 1 21 SER HA 1 22 VAL H . . 3.110 2.457 2.344 2.616 . 0 0 "[ . 1 . 2]" 1
322 1 21 SER HB3 1 22 VAL H . . 3.830 2.395 2.005 2.707 . 0 0 "[ . 1 . 2]" 1
323 1 22 VAL H 1 22 VAL HB . . 3.640 2.949 2.541 3.615 . 0 0 "[ . 1 . 2]" 1
324 1 22 VAL H 1 22 VAL MG2 . . 4.000 2.029 1.921 2.189 . 0 0 "[ . 1 . 2]" 1
325 1 22 VAL H 1 24 GLU H . . 4.600 4.280 3.998 4.499 . 0 0 "[ . 1 . 2]" 1
326 1 50 ASN H 1 50 ASN HB3 . . 3.900 3.234 2.637 3.749 . 0 0 "[ . 1 . 2]" 1
327 1 49 ASP H 1 50 ASN H . . 2.960 2.519 2.493 2.587 . 0 0 "[ . 1 . 2]" 1
328 1 48 PHE HA 1 49 ASP H . . 3.530 2.145 2.142 2.149 . 0 0 "[ . 1 . 2]" 1
329 1 49 ASP H 1 49 ASP HB3 . . 2.990 2.593 2.362 2.862 . 0 0 "[ . 1 . 2]" 1
330 1 50 ASN HA 1 51 ALA H . . 3.420 2.559 2.324 3.517 0.097 13 0 "[ . 1 . 2]" 1
331 1 49 ASP HA 1 51 ALA H . . 4.800 4.368 3.703 4.829 0.029 9 0 "[ . 1 . 2]" 1
332 1 47 ALA H 1 48 PHE H . . 2.890 2.747 2.638 2.819 . 0 0 "[ . 1 . 2]" 1
333 1 48 PHE H 1 48 PHE HD1 . . 3.470 1.972 1.935 2.124 . 0 0 "[ . 1 . 2]" 1
334 1 44 LYS HA 1 48 PHE H . . 3.610 2.989 2.707 3.203 . 0 0 "[ . 1 . 2]" 1
335 1 48 PHE H 1 48 PHE HB3 . . 3.770 3.594 3.569 3.618 . 0 0 "[ . 1 . 2]" 1
336 1 47 ALA MB 1 48 PHE H . . 3.330 2.015 1.922 2.178 . 0 0 "[ . 1 . 2]" 1
337 1 47 ALA H 1 48 PHE HD1 . . 4.250 4.022 3.779 4.250 . 0 0 "[ . 1 . 2]" 1
338 1 42 ASP H 1 45 MET H . . 5.170 4.997 4.639 5.098 . 0 0 "[ . 1 . 2]" 1
339 1 43 VAL HA 1 47 ALA H . . 4.040 3.596 3.496 3.713 . 0 0 "[ . 1 . 2]" 1
340 1 47 ALA H 1 47 ALA MB . . 2.900 2.268 2.244 2.313 . 0 0 "[ . 1 . 2]" 1
341 1 31 ALA MB 1 47 ALA H . . 3.390 3.075 2.841 3.293 . 0 0 "[ . 1 . 2]" 1
342 1 47 ALA H 1 48 PHE HA . . 5.400 5.233 5.167 5.308 . 0 0 "[ . 1 . 2]" 1
343 1 46 ARG HB3 1 47 ALA H . . 3.280 2.690 2.607 2.820 . 0 0 "[ . 1 . 2]" 1
344 1 45 MET H 1 46 ARG H . . 3.130 2.500 2.485 2.532 . 0 0 "[ . 1 . 2]" 1
345 1 46 ARG H 1 47 ALA H . . 3.340 2.477 2.380 2.554 . 0 0 "[ . 1 . 2]" 1
346 1 46 ARG H 1 46 ARG HB3 . . 3.020 2.326 2.262 2.446 . 0 0 "[ . 1 . 2]" 1
347 1 46 ARG H 1 47 ALA MB . . 4.580 4.245 4.149 4.328 . 0 0 "[ . 1 . 2]" 1
348 1 46 ARG H 1 46 ARG HG3 . . 4.570 4.347 4.197 4.670 0.100 7 0 "[ . 1 . 2]" 1
349 1 43 VAL HA 1 46 ARG H . . 3.790 3.493 3.352 3.573 . 0 0 "[ . 1 . 2]" 1
350 1 45 MET H 1 45 MET HG3 . . 3.430 3.096 1.973 3.436 0.006 7 0 "[ . 1 . 2]" 1
351 1 44 LYS H 1 45 MET H . . 3.440 2.623 2.524 2.699 . 0 0 "[ . 1 . 2]" 1
352 1 42 ASP H 1 44 LYS H . . 4.430 4.125 3.886 4.195 . 0 0 "[ . 1 . 2]" 1
353 1 42 ASP HA 1 44 LYS H . . 4.390 4.145 4.069 4.254 . 0 0 "[ . 1 . 2]" 1
354 1 43 VAL MG1 1 44 LYS H . . 3.690 3.442 3.313 3.534 . 0 0 "[ . 1 . 2]" 1
355 1 44 LYS H 1 59 LEU MD1 . . 4.780 3.976 2.542 4.785 0.005 16 0 "[ . 1 . 2]" 1
356 1 43 VAL MG2 1 44 LYS H . . 4.320 4.012 3.930 4.073 . 0 0 "[ . 1 . 2]" 1
357 1 44 LYS H 1 59 LEU MD2 . . 4.780 2.665 2.371 3.586 . 0 0 "[ . 1 . 2]" 1
358 1 44 LYS H 1 46 ARG H . . 4.000 3.825 3.775 3.976 . 0 0 "[ . 1 . 2]" 1
359 1 44 LYS HA 1 47 ALA H . . 4.480 3.643 3.475 3.743 . 0 0 "[ . 1 . 2]" 1
360 1 43 VAL H 1 44 LYS H . . 2.720 2.620 2.500 2.720 . 0 0 "[ . 1 . 2]" 1
361 1 43 VAL H 1 45 MET H . . 4.460 4.316 4.109 4.458 . 0 0 "[ . 1 . 2]" 1
362 1 40 TRP HA 1 43 VAL H . . 3.520 3.361 3.233 3.443 . 0 0 "[ . 1 . 2]" 1
363 1 42 ASP HB3 1 43 VAL H . . 4.140 3.859 3.569 4.028 . 0 0 "[ . 1 . 2]" 1
364 1 43 VAL H 1 43 VAL HB . . 3.080 2.416 2.364 2.464 . 0 0 "[ . 1 . 2]" 1
365 1 43 VAL H 1 43 VAL MG2 . . 3.010 2.349 2.206 2.486 . 0 0 "[ . 1 . 2]" 1
366 1 35 LEU HB3 1 43 VAL H . . 4.730 4.256 3.728 4.609 . 0 0 "[ . 1 . 2]" 1
367 1 43 VAL H 1 43 VAL MG1 . . 3.790 3.741 3.723 3.755 . 0 0 "[ . 1 . 2]" 1
368 1 43 VAL H 1 46 ARG HB3 . . 5.140 4.694 4.522 5.024 . 0 0 "[ . 1 . 2]" 1
369 1 42 ASP H 1 43 VAL H . . 3.050 2.617 2.502 2.691 . 0 0 "[ . 1 . 2]" 1
370 1 42 ASP H 1 43 VAL HA . . 5.340 5.226 5.120 5.290 . 0 0 "[ . 1 . 2]" 1
371 1 42 ASP H 1 43 VAL HB . . 4.740 4.745 4.609 4.805 0.065 11 0 "[ . 1 . 2]" 1
372 1 42 ASP H 1 42 ASP HB3 . . 3.620 3.586 3.521 3.611 . 0 0 "[ . 1 . 2]" 1
373 1 51 ALA MB 1 52 ASP H . . 4.560 3.450 1.912 3.721 . 0 0 "[ . 1 . 2]" 1
374 1 51 ALA H 1 52 ASP H . . 4.960 3.543 2.539 4.534 . 0 0 "[ . 1 . 2]" 1
375 1 49 ASP H 1 51 ALA H . . 5.500 5.021 3.846 5.510 0.010 3 0 "[ . 1 . 2]" 1
376 1 51 ALA HA 1 53 HIS H . . 4.660 4.204 3.143 4.701 0.041 14 0 "[ . 1 . 2]" 1
377 1 53 HIS H 1 54 ARG H . . 4.860 2.976 1.892 4.538 . 0 0 "[ . 1 . 2]" 1
378 1 73 ALA H 1 73 ALA MB . . 2.720 2.247 2.214 2.341 . 0 0 "[ . 1 . 2]" 1
379 1 72 ILE HB 1 73 ALA H . . 2.950 2.122 2.034 2.291 . 0 0 "[ . 1 . 2]" 1
380 1 72 ILE MG 1 73 ALA H . . 3.280 2.305 2.220 2.412 . 0 0 "[ . 1 . 2]" 1
381 1 71 SER H 1 73 ALA H . . 5.010 4.856 4.699 4.984 . 0 0 "[ . 1 . 2]" 1
382 1 72 ILE H 1 73 ALA H . . 3.800 2.590 2.410 2.671 . 0 0 "[ . 1 . 2]" 1
383 1 70 ALA H 1 72 ILE H . . 4.700 4.793 4.747 4.843 0.143 5 0 "[ . 1 . 2]" 1
384 1 69 THR HA 1 72 ILE H . . 4.350 4.339 4.130 4.457 0.107 18 0 "[ . 1 . 2]" 1
385 1 72 ILE H 1 72 ILE HB . . 3.360 2.586 2.415 2.673 . 0 0 "[ . 1 . 2]" 1
386 1 72 ILE H 1 72 ILE MG . . 3.810 3.746 3.659 3.789 . 0 0 "[ . 1 . 2]" 1
387 1 72 ILE H 1 72 ILE MD . . 3.370 2.589 2.428 2.682 . 0 0 "[ . 1 . 2]" 1
388 1 71 SER H 1 72 ILE H . . 3.010 2.641 2.577 2.721 . 0 0 "[ . 1 . 2]" 1
389 1 67 VAL HA 1 71 SER H . . 5.280 4.990 4.722 5.114 . 0 0 "[ . 1 . 2]" 1
390 1 70 ALA MB 1 71 SER H . . 3.310 2.364 2.322 2.394 . 0 0 "[ . 1 . 2]" 1
391 1 71 SER H 1 72 ILE HB . . 4.830 3.810 3.723 3.918 . 0 0 "[ . 1 . 2]" 1
392 1 71 SER HA 1 72 ILE H . . 3.400 2.460 2.431 2.481 . 0 0 "[ . 1 . 2]" 1
393 1 70 ALA H 1 71 SER H . . 3.100 2.867 2.846 2.893 . 0 0 "[ . 1 . 2]" 1
394 1 69 THR HB 1 70 ALA H . . 3.530 3.058 2.882 3.570 0.040 7 0 "[ . 1 . 2]" 1
395 1 67 VAL HA 1 70 ALA H . . 3.800 3.286 3.206 3.368 . 0 0 "[ . 1 . 2]" 1
396 1 70 ALA H 1 87 LEU MD1 . . 4.290 3.824 3.597 3.978 . 0 0 "[ . 1 . 2]" 1
397 1 69 THR MG 1 70 ALA H . . 3.830 3.278 2.294 3.617 . 0 0 "[ . 1 . 2]" 1
398 1 70 ALA H 1 70 ALA MB . . 2.770 2.203 2.142 2.234 . 0 0 "[ . 1 . 2]" 1
399 1 67 VAL HB 1 70 ALA H . . 5.500 5.368 5.138 5.599 0.099 15 0 "[ . 1 . 2]" 1
400 1 70 ALA H 1 87 LEU HG . . 5.500 5.564 5.392 5.788 0.288 11 0 "[ . 1 . 2]" 1
401 1 69 THR H 1 69 THR HB . . 2.970 2.344 2.151 2.432 . 0 0 "[ . 1 . 2]" 1
402 1 66 LEU HA 1 69 THR H . . 3.950 3.634 3.545 3.747 . 0 0 "[ . 1 . 2]" 1
403 1 69 THR H 1 70 ALA MB . . 4.240 4.130 4.070 4.244 0.004 15 0 "[ . 1 . 2]" 1
404 1 69 THR H 1 69 THR MG . . 3.890 3.582 2.918 3.754 . 0 0 "[ . 1 . 2]" 1
405 1 67 VAL HA 1 69 THR H . . 4.550 4.040 3.940 4.287 . 0 0 "[ . 1 . 2]" 1
406 1 68 HIS H 1 69 THR H . . 3.160 2.715 2.624 2.777 . 0 0 "[ . 1 . 2]" 1
407 1 67 VAL H 1 68 HIS H . . 3.190 2.821 2.703 2.888 . 0 0 "[ . 1 . 2]" 1
408 1 67 VAL MG1 1 68 HIS H . . 3.850 2.785 1.932 3.521 . 0 0 "[ . 1 . 2]" 1
409 1 63 TRP HA 1 67 VAL H . . 4.210 4.068 3.764 4.271 0.061 18 0 "[ . 1 . 2]" 1
410 1 66 LEU HB3 1 67 VAL H . . 3.440 2.530 2.389 2.897 . 0 0 "[ . 1 . 2]" 1
411 1 67 VAL H 1 67 VAL HB . . 2.940 2.588 2.458 2.795 . 0 0 "[ . 1 . 2]" 1
412 1 67 VAL H 1 70 ALA MB . . 5.090 4.863 4.499 5.021 . 0 0 "[ . 1 . 2]" 1
413 1 67 VAL H 1 90 VAL MG2 . . 5.010 3.714 2.449 4.870 . 0 0 "[ . 1 . 2]" 1
414 1 66 LEU MD1 1 67 VAL H . . 4.620 4.382 3.834 4.573 . 0 0 "[ . 1 . 2]" 1
415 1 67 VAL H 1 67 VAL MG2 . . 3.880 2.693 1.870 3.763 . 0 0 "[ . 1 . 2]" 1
416 1 67 VAL H 1 90 VAL MG1 . . 5.010 3.187 2.421 3.582 . 0 0 "[ . 1 . 2]" 1
417 1 66 LEU H 1 67 VAL H . . 3.210 2.793 2.696 2.903 . 0 0 "[ . 1 . 2]" 1
418 1 67 VAL H 1 90 VAL HB . . 5.500 5.286 4.771 5.667 0.167 17 0 "[ . 1 . 2]" 1
419 1 65 THR H 1 66 LEU H . . 3.100 2.581 2.487 2.675 . 0 0 "[ . 1 . 2]" 1
420 1 65 THR HB 1 66 LEU H . . 4.060 4.007 3.951 4.058 . 0 0 "[ . 1 . 2]" 1
421 1 66 LEU H 1 68 HIS H . . 4.560 4.267 4.004 4.434 . 0 0 "[ . 1 . 2]" 1
422 1 63 TRP HD1 1 66 LEU H . . 5.500 5.177 4.850 5.607 0.107 13 0 "[ . 1 . 2]" 1
423 1 66 LEU H 1 66 LEU HB3 . . 3.450 3.152 2.163 3.358 . 0 0 "[ . 1 . 2]" 1
424 1 66 LEU H 1 66 LEU HG . . 3.870 3.725 3.359 4.113 0.243 15 0 "[ . 1 . 2]" 1
425 1 66 LEU H 1 67 VAL HA . . 5.450 5.364 5.283 5.452 0.002 6 0 "[ . 1 . 2]" 1
426 1 65 THR H 1 65 THR HB . . 3.070 2.557 2.452 2.686 . 0 0 "[ . 1 . 2]" 1
427 1 65 THR H 1 65 THR MG . . 3.140 2.096 1.906 2.243 . 0 0 "[ . 1 . 2]" 1
428 1 63 TRP HD1 1 64 LYS H . . 4.690 4.241 2.664 4.718 0.028 8 0 "[ . 1 . 2]" 1
429 1 63 TRP H 1 64 LYS H . . 3.290 2.659 2.559 2.751 . 0 0 "[ . 1 . 2]" 1
430 1 61 ASP H 1 64 LYS H . . 5.170 4.818 4.572 5.005 . 0 0 "[ . 1 . 2]" 1
431 1 61 ASP HA 1 64 LYS H . . 3.850 3.565 3.364 3.894 0.044 15 0 "[ . 1 . 2]" 1
432 1 62 LYS HA 1 64 LYS H . . 4.990 4.752 4.521 4.952 . 0 0 "[ . 1 . 2]" 1
433 1 64 LYS H 1 65 THR MG . . 4.450 4.011 3.786 4.147 . 0 0 "[ . 1 . 2]" 1
434 1 64 LYS H 1 65 THR H . . 3.240 2.896 2.785 2.998 . 0 0 "[ . 1 . 2]" 1
435 1 60 LYS H 1 63 TRP H . . 5.180 4.824 4.627 4.991 . 0 0 "[ . 1 . 2]" 1
436 1 62 LYS H 1 63 TRP H . . 3.230 2.671 2.554 2.796 . 0 0 "[ . 1 . 2]" 1
437 1 2 VAL H 1 3 ASN H . . 3.970 3.523 1.972 3.972 0.002 5 0 "[ . 1 . 2]" 1
438 1 28 LEU HG 1 63 TRP H . . 3.980 3.850 3.537 4.007 0.027 14 0 "[ . 1 . 2]" 1
439 1 28 LEU MD2 1 63 TRP H . . 3.930 3.974 3.945 4.025 0.095 10 0 "[ . 1 . 2]" 1
440 1 28 LEU MD1 1 63 TRP H . . 3.930 3.046 2.559 3.665 . 0 0 "[ . 1 . 2]" 1
441 1 61 ASP H 1 62 LYS H . . 3.230 2.601 2.501 2.780 . 0 0 "[ . 1 . 2]" 1
442 1 59 LEU HA 1 62 LYS H . . 3.800 3.475 3.338 3.639 . 0 0 "[ . 1 . 2]" 1
443 1 62 LYS H 1 62 LYS HB3 . . 3.630 3.058 2.377 3.600 . 0 0 "[ . 1 . 2]" 1
444 1 28 LEU HG 1 62 LYS H . . 5.480 4.795 4.526 5.103 . 0 0 "[ . 1 . 2]" 1
445 1 59 LEU H 1 62 LYS H . . 5.130 4.906 4.600 5.078 . 0 0 "[ . 1 . 2]" 1
446 1 62 LYS H 1 64 LYS H . . 4.630 4.347 4.151 4.590 . 0 0 "[ . 1 . 2]" 1
447 1 96 TYR H 1 96 TYR HB3 . . 3.060 2.447 2.423 2.469 . 0 0 "[ . 1 . 2]" 1
448 1 95 ALA H 1 96 TYR H . . 3.240 2.569 2.524 2.669 . 0 0 "[ . 1 . 2]" 1
449 1 96 TYR H 1 97 TRP HD1 . . 5.170 5.162 4.793 5.200 0.030 18 0 "[ . 1 . 2]" 1
450 1 96 TYR H 1 96 TYR HD2 . . 4.670 4.640 4.591 4.687 0.017 5 0 "[ . 1 . 2]" 1
451 1 60 LYS H 1 61 ASP H . . 3.400 2.608 2.474 2.830 . 0 0 "[ . 1 . 2]" 1
452 1 56 TYR HA 1 59 LEU H . . 3.870 3.610 3.284 3.868 . 0 0 "[ . 1 . 2]" 1
453 1 58 ASP HB3 1 59 LEU H . . 3.910 2.828 2.666 3.537 . 0 0 "[ . 1 . 2]" 1
454 1 59 LEU H 1 59 LEU HG . . 3.580 2.527 1.866 2.989 . 0 0 "[ . 1 . 2]" 1
455 1 59 LEU H 1 59 LEU HB3 . . 3.680 2.462 2.200 3.580 . 0 0 "[ . 1 . 2]" 1
456 1 59 LEU H 1 59 LEU MD1 . . 4.300 3.907 3.386 4.173 . 0 0 "[ . 1 . 2]" 1
457 1 59 LEU H 1 60 LYS H . . 3.460 2.561 2.445 2.742 . 0 0 "[ . 1 . 2]" 1
458 1 58 ASP H 1 59 LEU H . . 3.470 2.797 2.626 2.901 . 0 0 "[ . 1 . 2]" 1
459 1 55 THR MG 1 58 ASP H . . 4.200 2.626 1.913 4.217 0.017 5 0 "[ . 1 . 2]" 1
460 1 57 VAL H 1 58 ASP H . . 3.200 2.575 2.506 2.783 . 0 0 "[ . 1 . 2]" 1
461 1 58 ASP H 1 58 ASP HB3 . . 3.450 3.363 3.216 3.520 0.070 15 0 "[ . 1 . 2]" 1
462 1 57 VAL MG2 1 58 ASP H . . 3.810 3.722 3.637 3.770 . 0 0 "[ . 1 . 2]" 1
463 1 55 THR HB 1 57 VAL H . . 4.610 3.956 2.371 4.620 0.010 16 0 "[ . 1 . 2]" 1
464 1 57 VAL H 1 57 VAL HB . . 3.260 2.576 2.461 2.629 . 0 0 "[ . 1 . 2]" 1
465 1 57 VAL H 1 57 VAL MG2 . . 3.830 3.768 3.753 3.773 . 0 0 "[ . 1 . 2]" 1
466 1 56 TYR H 1 56 TYR HD1 . . 3.820 3.605 1.951 4.457 0.637 13 1 "[ . 1 + . 2]" 1
467 1 56 TYR H 1 57 VAL H . . 4.220 2.241 1.865 2.689 . 0 0 "[ . 1 . 2]" 1
468 1 55 THR MG 1 56 TYR H . . 4.080 2.855 1.912 3.672 . 0 0 "[ . 1 . 2]" 1
469 1 56 TYR H 1 57 VAL HB . . 4.960 4.472 4.274 4.983 0.023 13 0 "[ . 1 . 2]" 1
470 1 56 TYR H 1 57 VAL MG1 . . 4.980 3.584 2.864 4.265 . 0 0 "[ . 1 . 2]" 1
471 1 56 TYR H 1 56 TYR HB3 . . 4.160 3.028 2.418 3.564 . 0 0 "[ . 1 . 2]" 1
472 1 39 ARG H 1 40 TRP HD1 . . 4.960 3.963 3.482 4.627 . 0 0 "[ . 1 . 2]" 1
473 1 38 GLY H 1 39 ARG H . . 3.290 2.067 1.873 2.625 . 0 0 "[ . 1 . 2]" 1
474 1 36 GLY H 1 39 ARG H . . 5.500 5.392 5.101 5.541 0.041 16 0 "[ . 1 . 2]" 1
475 1 37 THR HA 1 39 ARG H . . 4.100 3.720 3.460 4.086 . 0 0 "[ . 1 . 2]" 1
476 1 39 ARG H 1 39 ARG HG3 . . 4.380 3.402 2.798 3.993 . 0 0 "[ . 1 . 2]" 1
477 1 39 ARG H 1 39 ARG HB3 . . 3.850 3.700 3.545 3.834 . 0 0 "[ . 1 . 2]" 1
478 1 39 ARG H 1 43 VAL MG2 . . 4.520 3.791 3.549 4.014 . 0 0 "[ . 1 . 2]" 1
479 1 73 ALA MB 1 75 GLN H . . 4.240 2.984 2.501 3.156 . 0 0 "[ . 1 . 2]" 1
480 1 75 GLN H 1 75 GLN HG3 . . 4.270 3.410 2.718 3.803 . 0 0 "[ . 1 . 2]" 1
481 1 73 ALA MB 1 76 GLN H . . 3.680 2.456 2.230 3.008 . 0 0 "[ . 1 . 2]" 1
482 1 74 PRO HA 1 76 GLN H . . 4.400 3.873 3.686 3.986 . 0 0 "[ . 1 . 2]" 1
483 1 75 GLN H 1 76 GLN H . . 3.920 2.517 2.453 2.627 . 0 0 "[ . 1 . 2]" 1
484 1 73 ALA H 1 76 GLN H . . 4.530 4.509 4.284 4.614 0.084 1 0 "[ . 1 . 2]" 1
485 1 76 GLN H 1 77 ARG H . . 2.970 2.452 2.369 2.532 . 0 0 "[ . 1 . 2]" 1
486 1 74 PRO HA 1 77 ARG H . . 4.140 3.838 3.401 4.161 0.021 16 0 "[ . 1 . 2]" 1
487 1 22 VAL H 1 23 ALA H . . 3.500 2.777 2.716 2.826 . 0 0 "[ . 1 . 2]" 1
488 1 23 ALA H 1 24 GLU H . . 3.370 2.595 2.512 2.701 . 0 0 "[ . 1 . 2]" 1
489 1 21 SER HB3 1 23 ALA H . . 3.800 3.073 2.735 3.496 . 0 0 "[ . 1 . 2]" 1
490 1 22 VAL HB 1 23 ALA H . . 3.820 3.061 2.585 3.831 0.011 8 0 "[ . 1 . 2]" 1
491 1 23 ALA H 1 23 ALA MB . . 2.670 2.182 2.039 2.243 . 0 0 "[ . 1 . 2]" 1
492 1 20 PHE H 1 21 SER H . . 4.710 4.559 4.474 4.624 . 0 0 "[ . 1 . 2]" 1
493 1 24 GLU H 1 25 VAL H . . 3.270 2.643 2.490 2.836 . 0 0 "[ . 1 . 2]" 1
494 1 24 GLU H 1 26 GLU H . . 4.270 3.927 3.799 4.092 . 0 0 "[ . 1 . 2]" 1
495 1 24 GLU H 1 24 GLU HG3 . . 3.170 2.951 2.004 3.170 . 0 0 "[ . 1 . 2]" 1
496 1 22 VAL HA 1 24 GLU H . . 4.690 4.449 4.262 4.714 0.024 5 0 "[ . 1 . 2]" 1
497 1 21 SER HA 1 24 GLU H . . 4.720 4.564 4.398 4.722 0.002 7 0 "[ . 1 . 2]" 1
498 1 23 ALA MB 1 24 GLU H . . 3.270 2.609 2.412 2.850 . 0 0 "[ . 1 . 2]" 1
499 1 99 GLN H 1 101 GLN H . . 4.830 4.600 4.115 4.841 0.011 5 0 "[ . 1 . 2]" 1
500 1 25 VAL H 1 25 VAL MG2 . . 4.120 2.372 1.887 3.761 . 0 0 "[ . 1 . 2]" 1
501 1 25 VAL H 1 25 VAL HB . . 3.060 2.596 2.507 2.686 . 0 0 "[ . 1 . 2]" 1
502 1 23 ALA H 1 25 VAL H . . 4.430 4.251 4.002 4.446 0.016 19 0 "[ . 1 . 2]" 1
503 1 25 VAL H 1 26 GLU H . . 3.160 2.711 2.519 2.757 . 0 0 "[ . 1 . 2]" 1
504 1 21 SER H 1 25 VAL H . . 4.390 3.922 3.381 4.382 . 0 0 "[ . 1 . 2]" 1
505 1 20 PHE HA 1 25 VAL H . . 5.500 5.070 4.678 5.509 0.009 15 0 "[ . 1 . 2]" 1
506 1 21 SER HA 1 25 VAL H . . 5.500 4.815 4.658 5.029 . 0 0 "[ . 1 . 2]" 1
507 1 25 VAL H 1 25 VAL MG1 . . 4.120 3.514 2.073 3.771 . 0 0 "[ . 1 . 2]" 1
508 1 25 VAL H 1 86 LEU MD1 . . 4.560 4.284 3.783 4.558 . 0 0 "[ . 1 . 2]" 1
509 1 23 ALA HA 1 26 GLU H . . 3.830 3.753 3.589 3.830 0.000 10 0 "[ . 1 . 2]" 1
510 1 26 GLU H 1 27 ALA MB . . 4.660 4.397 4.264 4.476 . 0 0 "[ . 1 . 2]" 1
511 1 26 GLU H 1 86 LEU MD1 . . 3.250 2.988 2.594 3.268 0.018 1 0 "[ . 1 . 2]" 1
512 1 25 VAL MG2 1 26 GLU H . . 4.020 3.824 3.492 3.916 . 0 0 "[ . 1 . 2]" 1
513 1 26 GLU H 1 26 GLU HB3 . . 3.650 2.895 2.131 3.563 . 0 0 "[ . 1 . 2]" 1
514 1 27 ALA H 1 27 ALA MB . . 2.660 2.136 2.035 2.235 . 0 0 "[ . 1 . 2]" 1
515 1 27 ALA H 1 86 LEU MD1 . . 5.500 4.838 4.349 5.181 . 0 0 "[ . 1 . 2]" 1
516 1 27 ALA H 1 28 LEU H . . 3.110 2.608 2.441 2.751 . 0 0 "[ . 1 . 2]" 1
517 1 26 GLU H 1 27 ALA H . . 3.190 2.771 2.652 2.893 . 0 0 "[ . 1 . 2]" 1
518 1 27 ALA MB 1 28 LEU H . . 3.110 2.632 2.463 2.789 . 0 0 "[ . 1 . 2]" 1
519 1 28 LEU H 1 28 LEU HB3 . . 3.100 2.798 2.582 2.919 . 0 0 "[ . 1 . 2]" 1
520 1 28 LEU H 1 28 LEU MD2 . . 4.260 3.735 3.461 4.008 . 0 0 "[ . 1 . 2]" 1
521 1 28 LEU H 1 28 LEU MD1 . . 4.260 4.210 4.117 4.246 . 0 0 "[ . 1 . 2]" 1
522 1 28 LEU H 1 29 VAL H . . 3.190 2.797 2.651 2.921 . 0 0 "[ . 1 . 2]" 1
523 1 28 LEU HB3 1 29 VAL H . . 3.500 2.324 2.224 2.543 . 0 0 "[ . 1 . 2]" 1
524 1 29 VAL H 1 29 VAL HB . . 3.020 2.634 2.554 2.701 . 0 0 "[ . 1 . 2]" 1
525 1 27 ALA MB 1 29 VAL H . . 4.940 4.750 4.578 4.917 . 0 0 "[ . 1 . 2]" 1
526 1 29 VAL H 1 29 VAL MG2 . . 3.840 2.868 1.967 3.769 . 0 0 "[ . 1 . 2]" 1
527 1 27 ALA HA 1 30 GLU H . . 4.180 3.750 3.486 3.961 . 0 0 "[ . 1 . 2]" 1
528 1 29 VAL MG1 1 30 GLU H . . 3.700 2.672 1.845 3.416 . 0 0 "[ . 1 . 2]" 1
529 1 30 GLU H 1 31 ALA MB . . 4.690 4.456 4.275 4.546 . 0 0 "[ . 1 . 2]" 1
530 1 29 VAL H 1 30 GLU H . . 3.210 2.735 2.582 2.860 . 0 0 "[ . 1 . 2]" 1
531 1 30 GLU H 1 30 GLU HG3 . . 3.960 2.854 2.063 3.664 . 0 0 "[ . 1 . 2]" 1
532 1 31 ALA H 1 32 VAL H . . 3.200 2.584 2.539 2.690 . 0 0 "[ . 1 . 2]" 1
533 1 32 VAL H 1 35 LEU H . . 5.030 4.704 4.669 4.775 . 0 0 "[ . 1 . 2]" 1
534 1 29 VAL HA 1 32 VAL H . . 3.630 3.370 3.270 3.472 . 0 0 "[ . 1 . 2]" 1
535 1 31 ALA MB 1 32 VAL H . . 3.270 2.575 2.374 2.788 . 0 0 "[ . 1 . 2]" 1
536 1 32 VAL H 1 32 VAL HB . . 2.980 2.450 2.282 2.694 . 0 0 "[ . 1 . 2]" 1
537 1 32 VAL H 1 32 VAL MG2 . . 3.830 2.990 2.333 3.777 . 0 0 "[ . 1 . 2]" 1
538 1 32 VAL H 1 32 VAL MG1 . . 3.830 3.050 1.911 3.748 . 0 0 "[ . 1 . 2]" 1
539 1 63 TRP H 1 65 THR MG . . 4.440 4.024 3.747 4.274 . 0 0 "[ . 1 . 2]" 1
540 1 32 VAL H 1 33 GLU H . . 3.280 2.487 2.442 2.539 . 0 0 "[ . 1 . 2]" 1
541 1 30 GLU H 1 33 GLU H . . 4.820 4.680 4.619 4.730 . 0 0 "[ . 1 . 2]" 1
542 1 30 GLU HA 1 33 GLU H . . 3.800 3.510 3.382 3.605 . 0 0 "[ . 1 . 2]" 1
543 1 33 GLU H 1 33 GLU HG3 . . 4.540 3.714 3.193 4.096 . 0 0 "[ . 1 . 2]" 1
544 1 33 GLU H 1 33 GLU HB3 . . 3.530 3.373 3.268 3.442 . 0 0 "[ . 1 . 2]" 1
545 1 32 VAL HB 1 33 GLU H . . 4.370 3.442 3.015 4.112 . 0 0 "[ . 1 . 2]" 1
546 1 32 VAL MG2 1 33 GLU H . . 4.120 4.015 3.791 4.163 0.043 16 0 "[ . 1 . 2]" 1
547 1 32 VAL MG1 1 33 GLU H . . 4.120 3.015 2.126 3.635 . 0 0 "[ . 1 . 2]" 1
548 1 34 HIS H 1 35 LEU H . . 3.200 2.429 2.400 2.444 . 0 0 "[ . 1 . 2]" 1
549 1 33 GLU H 1 34 HIS H . . 3.430 2.519 2.468 2.557 . 0 0 "[ . 1 . 2]" 1
550 1 31 ALA H 1 34 HIS H . . 5.090 4.852 4.707 5.011 . 0 0 "[ . 1 . 2]" 1
551 1 31 ALA HA 1 34 HIS H . . 3.860 3.612 3.437 3.782 . 0 0 "[ . 1 . 2]" 1
552 1 33 GLU HB3 1 34 HIS H . . 3.640 3.144 2.978 3.253 . 0 0 "[ . 1 . 2]" 1
553 1 34 HIS H 1 36 GLY HA2 . . 5.500 5.239 5.187 5.334 . 0 0 "[ . 1 . 2]" 1
554 1 35 LEU H 1 43 VAL HA . . 5.500 5.381 4.966 5.602 0.102 17 0 "[ . 1 . 2]" 1
555 1 35 LEU H 1 36 GLY HA2 . . 4.850 4.717 4.678 4.755 . 0 0 "[ . 1 . 2]" 1
556 1 35 LEU H 1 36 GLY HA3 . . 5.090 5.070 5.037 5.100 0.010 8 0 "[ . 1 . 2]" 1
557 1 33 GLU HB3 1 35 LEU H . . 5.500 5.442 5.304 5.527 0.027 20 0 "[ . 1 . 2]" 1
558 1 32 VAL MG2 1 35 LEU H . . 5.380 5.173 4.931 5.291 . 0 0 "[ . 1 . 2]" 1
559 1 32 VAL MG1 1 35 LEU H . . 5.380 5.139 5.032 5.258 . 0 0 "[ . 1 . 2]" 1
560 1 35 LEU H 1 35 LEU MD2 . . 3.900 2.988 2.112 3.673 . 0 0 "[ . 1 . 2]" 1
561 1 35 LEU H 1 35 LEU HB3 . . 3.750 3.591 3.545 3.616 . 0 0 "[ . 1 . 2]" 1
562 1 35 LEU H 1 35 LEU HG . . 4.080 2.942 2.111 4.064 . 0 0 "[ . 1 . 2]" 1
563 1 35 LEU H 1 36 GLY H . . 3.100 2.399 2.361 2.425 . 0 0 "[ . 1 . 2]" 1
564 1 34 HIS H 1 36 GLY H . . 4.090 3.461 3.437 3.516 . 0 0 "[ . 1 . 2]" 1
565 1 33 GLU H 1 36 GLY H . . 5.020 4.134 4.083 4.177 . 0 0 "[ . 1 . 2]" 1
566 1 34 HIS HA 1 36 GLY H . . 4.810 4.201 4.009 4.340 . 0 0 "[ . 1 . 2]" 1
567 1 32 VAL HA 1 36 GLY H . . 3.190 3.068 2.937 3.252 0.062 8 0 "[ . 1 . 2]" 1
568 1 32 VAL MG2 1 36 GLY H . . 4.770 4.307 3.530 4.775 0.005 12 0 "[ . 1 . 2]" 1
569 1 32 VAL MG1 1 36 GLY H . . 4.770 4.071 3.570 4.824 0.054 11 0 "[ . 1 . 2]" 1
570 1 36 GLY H 1 37 THR H . . 4.710 4.521 4.391 4.598 . 0 0 "[ . 1 . 2]" 1
571 1 36 GLY HA2 1 37 THR H . . 3.380 2.610 2.388 2.989 . 0 0 "[ . 1 . 2]" 1
572 1 36 GLY HA3 1 37 THR H . . 3.530 2.527 2.222 2.751 . 0 0 "[ . 1 . 2]" 1
573 1 37 THR H 1 39 ARG H . . 4.600 4.503 4.253 4.642 0.042 15 0 "[ . 1 . 2]" 1
574 1 32 VAL MG1 1 37 THR H . . 5.500 4.516 3.537 5.619 0.119 6 0 "[ . 1 . 2]" 1
575 1 32 VAL MG2 1 37 THR H . . 5.500 4.649 3.162 5.585 0.085 16 0 "[ . 1 . 2]" 1
576 1 37 THR H 1 93 ALA MB . . 5.320 4.565 4.043 5.338 0.018 16 0 "[ . 1 . 2]" 1
577 1 37 THR H 1 38 GLY H . . 3.430 2.707 2.477 2.903 . 0 0 "[ . 1 . 2]" 1
578 1 37 THR HB 1 38 GLY H . . 4.540 4.280 3.951 4.460 . 0 0 "[ . 1 . 2]" 1
579 1 36 GLY HA2 1 38 GLY H . . 4.730 4.190 3.899 4.612 . 0 0 "[ . 1 . 2]" 1
580 1 36 GLY HA3 1 38 GLY H . . 4.250 3.141 2.935 3.406 . 0 0 "[ . 1 . 2]" 1
581 1 37 THR MG 1 38 GLY H . . 4.630 4.386 4.260 4.468 . 0 0 "[ . 1 . 2]" 1
582 1 38 GLY H 1 40 TRP HE1 . . 5.400 5.172 4.743 5.396 . 0 0 "[ . 1 . 2]" 1
583 1 55 THR H 1 55 THR HB . . 3.990 2.804 2.576 2.998 . 0 0 "[ . 1 . 2]" 1
584 1 55 THR H 1 55 THR MG . . 3.820 2.809 1.919 3.829 0.009 9 0 "[ . 1 . 2]" 1
585 1 98 SER H 1 99 GLN H . . 3.260 2.694 2.512 2.832 . 0 0 "[ . 1 . 2]" 1
586 1 95 ALA H 1 98 SER H . . 4.800 4.496 4.452 4.589 . 0 0 "[ . 1 . 2]" 1
587 1 97 TRP H 1 98 SER H . . 3.300 2.559 2.517 2.732 . 0 0 "[ . 1 . 2]" 1
588 1 94 HIS HA 1 98 SER H . . 4.230 4.004 3.634 4.196 . 0 0 "[ . 1 . 2]" 1
589 1 95 ALA HA 1 98 SER H . . 4.100 3.456 3.349 3.822 . 0 0 "[ . 1 . 2]" 1
590 1 97 TRP HB3 1 98 SER H . . 3.770 3.696 3.487 3.779 0.009 12 0 "[ . 1 . 2]" 1
591 1 95 ALA MB 1 98 SER H . . 5.000 4.536 4.447 4.773 . 0 0 "[ . 1 . 2]" 1
592 1 37 THR MG 1 98 SER H . . 5.500 5.272 4.717 5.514 0.014 16 0 "[ . 1 . 2]" 1
593 1 98 SER H 1 98 SER HB3 . . 3.730 2.567 2.247 3.577 . 0 0 "[ . 1 . 2]" 1
594 1 97 TRP H 1 97 TRP HD1 . . 3.690 3.266 2.828 3.501 . 0 0 "[ . 1 . 2]" 1
595 1 96 TYR HD2 1 97 TRP H . . 3.740 3.180 2.988 3.641 . 0 0 "[ . 1 . 2]" 1
596 1 93 ALA HA 1 97 TRP H . . 4.090 3.585 3.377 3.855 . 0 0 "[ . 1 . 2]" 1
597 1 96 TYR HB3 1 97 TRP H . . 3.080 2.478 2.444 2.696 . 0 0 "[ . 1 . 2]" 1
598 1 93 ALA MB 1 97 TRP H . . 4.330 4.257 4.165 4.354 0.024 16 0 "[ . 1 . 2]" 1
599 1 95 ALA MB 1 97 TRP H . . 5.040 4.604 4.434 4.639 . 0 0 "[ . 1 . 2]" 1
600 1 61 ASP H 1 61 ASP HB3 . . 3.800 2.912 2.338 3.598 . 0 0 "[ . 1 . 2]" 1
601 1 95 ALA MB 1 96 TYR H . . 3.020 2.447 2.414 2.497 . 0 0 "[ . 1 . 2]" 1
602 1 59 LEU HG 1 61 ASP H . . 5.420 4.760 4.349 5.437 0.017 15 0 "[ . 1 . 2]" 1
603 1 93 ALA MB 1 96 TYR H . . 5.500 4.629 4.532 4.681 . 0 0 "[ . 1 . 2]" 1
604 1 96 TYR H 1 97 TRP H . . 3.310 2.804 2.627 2.868 . 0 0 "[ . 1 . 2]" 1
605 1 92 ALA HA 1 95 ALA H . . 4.210 3.977 3.828 4.086 . 0 0 "[ . 1 . 2]" 1
606 1 95 ALA H 1 95 ALA MB . . 2.670 2.223 2.171 2.264 . 0 0 "[ . 1 . 2]" 1
607 1 94 HIS H 1 95 ALA H . . 3.070 2.788 2.686 2.851 . 0 0 "[ . 1 . 2]" 1
608 1 92 ALA H 1 94 HIS H . . 4.220 4.145 4.002 4.229 0.009 12 0 "[ . 1 . 2]" 1
609 1 94 HIS H 1 97 TRP H . . 4.940 4.806 4.757 4.877 . 0 0 "[ . 1 . 2]" 1
610 1 92 ALA HA 1 94 HIS H . . 5.260 4.850 4.683 5.046 . 0 0 "[ . 1 . 2]" 1
611 1 91 LEU HA 1 94 HIS H . . 3.960 3.608 3.424 3.858 . 0 0 "[ . 1 . 2]" 1
612 1 90 VAL HA 1 94 HIS H . . 3.930 3.886 3.580 4.103 0.173 16 0 "[ . 1 . 2]" 1
613 1 93 ALA MB 1 94 HIS H . . 3.210 2.511 2.412 2.672 . 0 0 "[ . 1 . 2]" 1
614 1 94 HIS H 1 95 ALA MB . . 4.690 4.477 4.356 4.533 . 0 0 "[ . 1 . 2]" 1
615 1 37 THR MG 1 94 HIS H . . 5.120 4.267 3.853 4.726 . 0 0 "[ . 1 . 2]" 1
616 1 92 ALA H 1 93 ALA H . . 3.110 2.755 2.613 2.878 . 0 0 "[ . 1 . 2]" 1
617 1 90 VAL HA 1 93 ALA H . . 3.860 3.743 3.575 3.889 0.029 17 0 "[ . 1 . 2]" 1
618 1 92 ALA MB 1 93 ALA H . . 3.020 2.388 2.289 2.519 . 0 0 "[ . 1 . 2]" 1
619 1 93 ALA H 1 93 ALA MB . . 2.800 2.143 2.047 2.254 . 0 0 "[ . 1 . 2]" 1
620 1 90 VAL MG2 1 93 ALA H . . 5.330 5.166 4.850 5.466 0.136 16 0 "[ . 1 . 2]" 1
621 1 90 VAL MG1 1 93 ALA H . . 5.330 4.960 4.693 5.260 . 0 0 "[ . 1 . 2]" 1
622 1 93 ALA H 1 94 HIS H . . 2.980 2.586 2.513 2.711 . 0 0 "[ . 1 . 2]" 1
623 1 90 VAL HA 1 92 ALA H . . 4.510 4.299 4.017 4.536 0.026 7 0 "[ . 1 . 2]" 1
624 1 92 ALA H 1 92 ALA MB . . 2.640 2.187 2.036 2.243 . 0 0 "[ . 1 . 2]" 1
625 1 89 ARG H 1 91 LEU H . . 4.410 4.161 3.850 4.477 0.067 19 0 "[ . 1 . 2]" 1
626 1 88 ASP HA 1 91 LEU H . . 4.200 3.715 3.567 3.823 . 0 0 "[ . 1 . 2]" 1
627 1 90 VAL HB 1 91 LEU H . . 3.670 3.096 2.295 3.853 0.183 15 0 "[ . 1 . 2]" 1
628 1 67 VAL HA 1 91 LEU H . . 5.180 4.830 4.219 5.120 . 0 0 "[ . 1 . 2]" 1
629 1 70 ALA MB 1 91 LEU H . . 4.230 3.854 3.413 4.250 0.020 18 0 "[ . 1 . 2]" 1
630 1 88 ASP H 1 91 LEU H . . 5.110 4.857 4.681 5.004 . 0 0 "[ . 1 . 2]" 1
631 1 91 LEU H 1 91 LEU HG . . 4.350 3.489 2.689 4.449 0.099 5 0 "[ . 1 . 2]" 1
632 1 91 LEU H 1 91 LEU MD2 . . 3.800 3.738 2.519 3.880 0.080 5 0 "[ . 1 . 2]" 1
633 1 90 VAL H 1 91 LEU H . . 3.210 2.735 2.632 2.848 . 0 0 "[ . 1 . 2]" 1
634 1 88 ASP H 1 90 VAL H . . 4.310 4.134 3.898 4.355 0.045 18 0 "[ . 1 . 2]" 1
635 1 88 ASP HA 1 90 VAL H . . 4.960 4.560 4.142 4.830 . 0 0 "[ . 1 . 2]" 1
636 1 90 VAL H 1 90 VAL HB . . 3.590 2.356 2.151 2.621 . 0 0 "[ . 1 . 2]" 1
637 1 90 VAL H 1 90 VAL MG1 . . 3.770 3.168 2.331 3.764 . 0 0 "[ . 1 . 2]" 1
638 1 89 ARG H 1 90 VAL H . . 3.150 2.613 2.549 2.725 . 0 0 "[ . 1 . 2]" 1
639 1 88 ASP H 1 89 ARG H . . 3.280 2.615 2.484 2.820 . 0 0 "[ . 1 . 2]" 1
640 1 89 ARG H 1 89 ARG HG3 . . 3.740 3.412 2.547 3.751 0.011 4 0 "[ . 1 . 2]" 1
641 1 87 LEU HB3 1 88 ASP H . . 3.960 3.595 3.348 3.786 . 0 0 "[ . 1 . 2]" 1
642 1 88 ASP H 1 88 ASP HB3 . . 3.300 2.660 2.289 3.457 0.157 12 0 "[ . 1 . 2]" 1
643 1 88 ASP HB3 1 89 ARG H . . 4.170 2.695 2.408 3.186 . 0 0 "[ . 1 . 2]" 1
644 1 87 LEU H 1 88 ASP H . . 3.180 2.721 2.552 2.910 . 0 0 "[ . 1 . 2]" 1
645 1 86 LEU H 1 87 LEU H . . 3.060 2.573 2.475 2.671 . 0 0 "[ . 1 . 2]" 1
646 1 87 LEU H 1 89 ARG H . . 4.470 4.175 3.785 4.466 . 0 0 "[ . 1 . 2]" 1
647 1 87 LEU H 1 87 LEU HB3 . . 3.770 3.582 3.577 3.586 . 0 0 "[ . 1 . 2]" 1
648 1 87 LEU H 1 90 VAL HB . . 5.500 5.167 4.576 5.467 . 0 0 "[ . 1 . 2]" 1
649 1 85 ASP HA 1 87 LEU H . . 5.070 4.799 4.433 5.044 . 0 0 "[ . 1 . 2]" 1
650 1 84 GLN HA 1 87 LEU H . . 3.780 3.409 3.206 3.542 . 0 0 "[ . 1 . 2]" 1
651 1 87 LEU H 1 87 LEU HG . . 3.060 2.343 2.229 2.493 . 0 0 "[ . 1 . 2]" 1
652 1 87 LEU H 1 87 LEU MD2 . . 4.160 3.149 2.950 3.539 . 0 0 "[ . 1 . 2]" 1
653 1 87 LEU H 1 87 LEU MD1 . . 4.160 3.753 3.604 3.812 . 0 0 "[ . 1 . 2]" 1
654 1 85 ASP H 1 86 LEU H . . 3.100 2.629 2.533 2.757 . 0 0 "[ . 1 . 2]" 1
655 1 86 LEU H 1 86 LEU MD2 . . 3.500 3.036 2.597 3.355 . 0 0 "[ . 1 . 2]" 1
656 1 86 LEU H 1 86 LEU MD1 . . 4.000 3.775 3.664 3.875 . 0 0 "[ . 1 . 2]" 1
657 1 86 LEU H 1 86 LEU HG . . 3.330 2.315 2.111 2.500 . 0 0 "[ . 1 . 2]" 1
658 1 86 LEU H 1 86 LEU HB3 . . 3.730 3.598 3.587 3.605 . 0 0 "[ . 1 . 2]" 1
659 1 85 ASP H 1 87 LEU H . . 4.490 4.182 3.836 4.351 . 0 0 "[ . 1 . 2]" 1
660 1 85 ASP H 1 86 LEU HG . . 4.500 4.327 4.049 4.515 0.015 7 0 "[ . 1 . 2]" 1
661 1 85 ASP H 1 85 ASP HB3 . . 3.140 2.702 2.549 2.865 . 0 0 "[ . 1 . 2]" 1
662 1 84 GLN HB3 1 85 ASP H . . 3.170 3.103 2.977 3.185 0.015 1 0 "[ . 1 . 2]" 1
663 1 84 GLN H 1 84 GLN HB3 . . 3.900 2.638 2.461 2.804 . 0 0 "[ . 1 . 2]" 1
664 1 84 GLN H 1 85 ASP H . . 2.620 2.563 2.443 2.640 0.020 2 0 "[ . 1 . 2]" 1
665 1 95 ALA HA 1 99 GLN H . . 4.370 4.311 3.929 4.376 0.006 15 0 "[ . 1 . 2]" 1
666 1 96 TYR HA 1 99 GLN H . . 4.630 3.787 3.375 3.911 . 0 0 "[ . 1 . 2]" 1
667 1 99 GLN H 1 99 GLN HB3 . . 3.560 2.846 2.428 3.569 0.009 3 0 "[ . 1 . 2]" 1
668 1 99 GLN H 1 100 GLN H . . 3.890 2.669 2.425 2.693 . 0 0 "[ . 1 . 2]" 1
669 1 98 SER H 1 100 GLN H . . 4.710 4.154 3.871 4.223 . 0 0 "[ . 1 . 2]" 1
670 1 99 GLN HB3 1 100 GLN H . . 4.430 3.190 2.463 4.087 . 0 0 "[ . 1 . 2]" 1
671 1 106 VAL HA 1 107 GLU H . . 3.150 2.334 2.141 2.662 . 0 0 "[ . 1 . 2]" 1
672 1 106 VAL H 1 107 GLU H . . 4.640 4.380 4.112 4.635 . 0 0 "[ . 1 . 2]" 1
673 1 106 VAL QG 1 107 GLU H . . 4.550 2.511 1.942 3.470 . 0 0 "[ . 1 . 2]" 1
674 1 54 ARG H 1 55 THR H . . 4.850 4.490 4.095 4.625 . 0 0 "[ . 1 . 2]" 1
675 1 82 VAL H 1 82 VAL MG1 . . 3.640 2.721 1.900 3.865 0.225 9 0 "[ . 1 . 2]" 1
676 1 82 VAL H 1 82 VAL MG2 . . 3.640 2.784 2.039 3.855 0.215 15 0 "[ . 1 . 2]" 1
677 1 80 GLU H 1 80 GLU HB3 . . 3.970 3.171 2.321 4.080 0.110 20 0 "[ . 1 . 2]" 1
678 1 40 TRP H 1 40 TRP HE1 . . 4.840 4.549 4.369 4.743 . 0 0 "[ . 1 . 2]" 1
679 1 38 GLY HA2 1 40 TRP HE1 . . 5.500 3.819 3.487 4.010 . 0 0 "[ . 1 . 2]" 1
680 1 38 GLY HA3 1 40 TRP HE1 . . 5.500 5.469 5.226 5.510 0.010 19 0 "[ . 1 . 2]" 1
681 1 37 THR MG 1 40 TRP HE1 . . 5.060 4.690 4.007 5.068 0.008 20 0 "[ . 1 . 2]" 1
682 1 37 THR MG 1 63 TRP HE1 . . 3.130 2.930 2.522 3.199 0.069 19 0 "[ . 1 . 2]" 1
683 1 63 TRP HE1 1 67 VAL HB . . 4.950 4.187 3.115 4.963 0.013 17 0 "[ . 1 . 2]" 1
684 1 63 TRP HE1 1 64 LYS HA . . 4.480 4.421 4.010 4.545 0.065 9 0 "[ . 1 . 2]" 1
685 1 36 GLY H 1 97 TRP HE1 . . 3.810 3.860 3.796 3.941 0.131 10 0 "[ . 1 . 2]" 1
686 1 37 THR H 1 97 TRP HE1 . . 4.840 3.625 3.051 4.499 . 0 0 "[ . 1 . 2]" 1
687 1 96 TYR HD2 1 97 TRP HE1 . . 4.800 4.034 3.490 4.782 . 0 0 "[ . 1 . 2]" 1
688 1 33 GLU HA 1 97 TRP HE1 . . 3.560 3.560 3.509 3.580 0.020 5 0 "[ . 1 . 2]" 1
689 1 36 GLY HA2 1 97 TRP HE1 . . 3.860 2.047 1.927 2.432 . 0 0 "[ . 1 . 2]" 1
690 1 93 ALA MB 1 97 TRP HE1 . . 3.550 2.557 2.288 3.288 . 0 0 "[ . 1 . 2]" 1
691 1 36 GLY HA3 1 97 TRP HE1 . . 3.730 3.235 3.031 3.495 . 0 0 "[ . 1 . 2]" 1
692 1 87 LEU HA 1 89 ARG H . . 4.620 4.469 4.167 4.699 0.079 10 0 "[ . 1 . 2]" 1
693 1 89 ARG H 1 89 ARG HB3 . . 3.760 3.537 3.462 3.595 . 0 0 "[ . 1 . 2]" 1
694 1 82 VAL H 1 83 PRO HD3 . . 5.040 4.795 4.608 4.913 . 0 0 "[ . 1 . 2]" 1
695 1 66 LEU H 1 66 LEU MD1 . . 4.620 3.981 3.751 4.280 . 0 0 "[ . 1 . 2]" 1
696 1 20 PHE HA 1 25 VAL QG . . 4.890 4.229 3.812 4.970 0.080 1 0 "[ . 1 . 2]" 1
697 1 20 PHE QD 1 25 VAL QG . . 4.450 2.788 1.901 4.294 . 0 0 "[ . 1 . 2]" 1
698 1 21 SER H 1 25 VAL QG . . 4.670 3.835 3.225 4.454 . 0 0 "[ . 1 . 2]" 1
699 1 21 SER HA 1 22 VAL QG . . 4.120 3.675 3.479 3.828 . 0 0 "[ . 1 . 2]" 1
700 1 21 SER HA 1 25 VAL QG . . 5.050 3.846 3.670 4.095 . 0 0 "[ . 1 . 2]" 1
701 1 22 VAL H 1 22 VAL QG . . 3.120 1.975 1.837 2.176 . 0 0 "[ . 1 . 2]" 1
702 1 22 VAL HA 1 22 VAL QG . . 2.890 2.136 2.050 2.274 . 0 0 "[ . 1 . 2]" 1
703 1 22 VAL HA 1 25 VAL QG . . 3.420 2.883 1.977 3.435 0.015 2 0 "[ . 1 . 2]" 1
704 1 22 VAL QG 1 23 ALA H . . 3.620 2.864 1.971 3.364 . 0 0 "[ . 1 . 2]" 1
705 1 22 VAL QG 1 23 ALA HA . . 4.150 3.466 3.165 3.605 . 0 0 "[ . 1 . 2]" 1
706 1 22 VAL QG 1 23 ALA MB . . 4.300 3.577 2.828 4.040 . 0 0 "[ . 1 . 2]" 1
707 1 22 VAL QG 1 82 VAL HA . . 3.870 3.656 3.148 3.887 0.017 3 0 "[ . 1 . 2]" 1
708 1 22 VAL QG 1 83 PRO HD3 . . 3.570 2.275 1.905 2.708 . 0 0 "[ . 1 . 2]" 1
709 1 24 GLU H 1 25 VAL QG . . 4.220 3.944 3.502 4.136 . 0 0 "[ . 1 . 2]" 1
710 1 25 VAL H 1 25 VAL QG . . 2.850 2.111 1.882 2.288 . 0 0 "[ . 1 . 2]" 1
711 1 25 VAL HA 1 25 VAL QG . . 2.950 2.135 2.046 2.328 . 0 0 "[ . 1 . 2]" 1
712 1 25 VAL HA 1 28 LEU QD . . 4.760 4.244 3.919 4.562 . 0 0 "[ . 1 . 2]" 1
713 1 25 VAL HA 1 66 LEU QD . . 4.540 3.802 2.750 4.328 . 0 0 "[ . 1 . 2]" 1
714 1 25 VAL HB 1 66 LEU QD . . 4.730 4.027 3.769 4.303 . 0 0 "[ . 1 . 2]" 1
715 1 25 VAL QG 1 26 GLU H . . 3.530 3.100 1.881 3.344 . 0 0 "[ . 1 . 2]" 1
716 1 25 VAL QG 1 26 GLU HA . . 3.910 3.484 3.122 3.680 . 0 0 "[ . 1 . 2]" 1
717 1 25 VAL QG 1 27 ALA H . . 5.260 4.439 3.900 4.840 . 0 0 "[ . 1 . 2]" 1
718 1 25 VAL QG 1 28 LEU H . . 4.510 3.966 3.653 4.385 . 0 0 "[ . 1 . 2]" 1
719 1 25 VAL QG 1 28 LEU HB3 . . 3.970 3.068 2.590 3.529 . 0 0 "[ . 1 . 2]" 1
720 1 25 VAL QG 1 29 VAL H . . 3.630 3.484 3.197 3.634 0.004 13 0 "[ . 1 . 2]" 1
721 1 25 VAL QG 1 29 VAL HB . . 4.290 3.930 3.270 4.308 0.018 15 0 "[ . 1 . 2]" 1
722 1 25 VAL QG 1 66 LEU QD . . 2.710 1.876 1.710 2.019 . 0 0 "[ . 1 . 2]" 1
723 1 25 VAL QG 1 86 LEU HA . . 5.170 4.995 4.479 5.199 0.029 11 0 "[ . 1 . 2]" 1
724 1 25 VAL QG 1 86 LEU HB3 . . 3.810 3.105 2.485 3.285 . 0 0 "[ . 1 . 2]" 1
725 1 25 VAL QG 1 86 LEU HG . . 4.540 4.279 3.886 4.554 0.014 20 0 "[ . 1 . 2]" 1
726 1 25 VAL QG 1 86 LEU MD1 . . 3.050 1.965 1.720 2.339 . 0 0 "[ . 1 . 2]" 1
727 1 26 GLU HA 1 29 VAL QG . . 4.270 2.692 1.961 3.547 . 0 0 "[ . 1 . 2]" 1
728 1 27 ALA H 1 29 VAL QG . . 5.300 4.571 3.891 5.251 . 0 0 "[ . 1 . 2]" 1
729 1 28 LEU H 1 28 LEU QD . . 3.610 3.492 3.307 3.617 0.007 14 0 "[ . 1 . 2]" 1
730 1 28 LEU H 1 66 LEU QD . . 5.150 4.692 4.299 5.161 0.011 10 0 "[ . 1 . 2]" 1
731 1 28 LEU HA 1 28 LEU QD . . 3.110 1.996 1.911 2.107 . 0 0 "[ . 1 . 2]" 1
732 1 28 LEU HA 1 32 VAL QG . . 4.430 4.042 3.572 4.537 0.107 10 0 "[ . 1 . 2]" 1
733 1 28 LEU HB3 1 29 VAL QG . . 4.020 3.255 2.789 3.756 . 0 0 "[ . 1 . 2]" 1
734 1 28 LEU HB3 1 32 VAL QG . . 4.510 4.477 4.262 4.637 0.127 10 0 "[ . 1 . 2]" 1
735 1 28 LEU QD 1 29 VAL H . . 4.470 3.237 2.891 3.585 . 0 0 "[ . 1 . 2]" 1
736 1 28 LEU QD 1 29 VAL HA . . 3.920 3.043 2.731 3.370 . 0 0 "[ . 1 . 2]" 1
737 1 28 LEU QD 1 32 VAL QG . . 2.940 2.317 1.931 2.884 . 0 0 "[ . 1 . 2]" 1
738 1 28 LEU QD 1 43 VAL MG1 . . 2.820 2.164 1.885 2.422 . 0 0 "[ . 1 . 2]" 1
739 1 28 LEU QD 1 43 VAL MG2 . . 3.810 3.671 3.443 3.839 0.029 15 0 "[ . 1 . 2]" 1
740 1 28 LEU QD 1 47 ALA MB . . 3.700 2.916 2.535 3.476 . 0 0 "[ . 1 . 2]" 1
741 1 28 LEU QD 1 59 LEU QD . . 3.010 2.567 2.226 3.014 0.004 9 0 "[ . 1 . 2]" 1
742 1 28 LEU QD 1 60 LYS H . . 5.200 4.448 4.041 4.641 . 0 0 "[ . 1 . 2]" 1
743 1 28 LEU QD 1 61 ASP H . . 5.440 5.080 4.752 5.436 . 0 0 "[ . 1 . 2]" 1
744 1 28 LEU QD 1 62 LYS H . . 4.080 3.993 3.643 4.116 0.036 10 0 "[ . 1 . 2]" 1
745 1 28 LEU QD 1 62 LYS HA . . 5.200 4.596 4.361 4.855 . 0 0 "[ . 1 . 2]" 1
746 1 28 LEU QD 1 63 TRP H . . 3.380 2.939 2.529 3.389 0.009 19 0 "[ . 1 . 2]" 1
747 1 28 LEU QD 1 63 TRP HA . . 4.030 2.796 2.386 3.163 . 0 0 "[ . 1 . 2]" 1
748 1 28 LEU QD 1 64 LYS H . . 5.310 4.712 4.438 5.069 . 0 0 "[ . 1 . 2]" 1
749 1 28 LEU QD 1 66 LEU QD . . 3.480 2.756 2.380 3.332 . 0 0 "[ . 1 . 2]" 1
750 1 29 VAL H 1 29 VAL QG . . 2.850 2.009 1.828 2.229 . 0 0 "[ . 1 . 2]" 1
751 1 29 VAL H 1 32 VAL QG . . 4.820 4.324 3.933 4.642 . 0 0 "[ . 1 . 2]" 1
752 1 29 VAL H 1 66 LEU QD . . 4.510 3.316 2.851 3.868 . 0 0 "[ . 1 . 2]" 1
753 1 29 VAL H 1 90 VAL QG . . 5.050 4.727 4.285 5.095 0.045 7 0 "[ . 1 . 2]" 1
754 1 29 VAL HA 1 29 VAL QG . . 3.070 2.182 2.040 2.343 . 0 0 "[ . 1 . 2]" 1
755 1 29 VAL HA 1 32 VAL QG . . 3.810 2.613 1.837 3.273 . 0 0 "[ . 1 . 2]" 1
756 1 29 VAL QG 1 30 GLU H . . 3.190 2.530 1.835 3.092 . 0 0 "[ . 1 . 2]" 1
757 1 29 VAL QG 1 32 VAL H . . 5.440 4.210 4.029 4.343 . 0 0 "[ . 1 . 2]" 1
758 1 29 VAL QG 1 32 VAL QG . . 4.470 3.189 2.722 3.587 . 0 0 "[ . 1 . 2]" 1
759 1 29 VAL QG 1 33 GLU H . . 4.060 3.835 3.629 4.048 . 0 0 "[ . 1 . 2]" 1
760 1 29 VAL QG 1 66 LEU QD . . 3.550 2.202 1.657 3.054 . 0 0 "[ . 1 . 2]" 1
761 1 29 VAL QG 1 86 LEU HB3 . . 4.070 2.269 1.910 2.738 . 0 0 "[ . 1 . 2]" 1
762 1 29 VAL QG 1 86 LEU MD1 . . 2.870 2.709 2.268 2.900 0.030 15 0 "[ . 1 . 2]" 1
763 1 29 VAL QG 1 86 LEU MD2 . . 3.230 2.193 1.793 2.852 . 0 0 "[ . 1 . 2]" 1
764 1 29 VAL QG 1 89 ARG H . . 4.230 3.902 3.478 4.249 0.019 10 0 "[ . 1 . 2]" 1
765 1 29 VAL QG 1 89 ARG HA . . 4.900 4.280 3.740 4.619 . 0 0 "[ . 1 . 2]" 1
766 1 29 VAL QG 1 89 ARG HB3 . . 3.270 2.522 1.910 3.044 . 0 0 "[ . 1 . 2]" 1
767 1 29 VAL QG 1 90 VAL H . . 3.090 2.710 2.213 3.099 0.009 10 0 "[ . 1 . 2]" 1
768 1 29 VAL QG 1 90 VAL HA . . 3.590 2.560 2.060 2.908 . 0 0 "[ . 1 . 2]" 1
769 1 29 VAL QG 1 90 VAL QG . . 3.830 2.067 1.618 2.540 . 0 0 "[ . 1 . 2]" 1
770 1 29 VAL QG 1 93 ALA MB . . 4.310 4.078 3.755 4.324 0.014 18 0 "[ . 1 . 2]" 1
771 1 31 ALA H 1 32 VAL QG . . 4.490 4.028 3.571 4.315 . 0 0 "[ . 1 . 2]" 1
772 1 31 ALA MB 1 32 VAL QG . . 3.970 3.363 3.041 3.810 . 0 0 "[ . 1 . 2]" 1
773 1 31 ALA MB 1 35 LEU QD . . 5.080 2.257 1.898 3.091 . 0 0 "[ . 1 . 2]" 1
774 1 31 ALA MB 1 59 LEU QD . . 4.290 4.210 3.917 4.362 0.072 7 0 "[ . 1 . 2]" 1
775 1 32 VAL H 1 32 VAL QG . . 2.910 2.279 1.906 2.546 . 0 0 "[ . 1 . 2]" 1
776 1 32 VAL HA 1 35 LEU QD . . 4.460 3.954 3.512 4.208 . 0 0 "[ . 1 . 2]" 1
777 1 32 VAL QG 1 33 GLU H . . 3.620 2.900 2.118 3.387 . 0 0 "[ . 1 . 2]" 1
778 1 32 VAL QG 1 33 GLU HA . . 4.570 3.239 3.019 3.474 . 0 0 "[ . 1 . 2]" 1
779 1 32 VAL QG 1 34 HIS H . . 5.440 4.457 4.153 4.710 . 0 0 "[ . 1 . 2]" 1
780 1 32 VAL QG 1 35 LEU H . . 4.710 4.587 4.495 4.627 . 0 0 "[ . 1 . 2]" 1
781 1 32 VAL QG 1 36 GLY H . . 3.680 3.534 3.427 3.628 . 0 0 "[ . 1 . 2]" 1
782 1 32 VAL QG 1 36 GLY HA2 . . 4.000 3.232 3.116 3.419 . 0 0 "[ . 1 . 2]" 1
783 1 32 VAL QG 1 36 GLY HA3 . . 4.130 4.223 4.150 4.291 0.161 16 0 "[ . 1 . 2]" 1
784 1 32 VAL QG 1 37 THR H . . 4.280 3.581 3.144 4.192 . 0 0 "[ . 1 . 2]" 1
785 1 32 VAL QG 1 37 THR HA . . 4.590 2.587 1.990 3.170 . 0 0 "[ . 1 . 2]" 1
786 1 32 VAL QG 1 37 THR HB . . 4.470 4.046 3.643 4.468 . 0 0 "[ . 1 . 2]" 1
787 1 32 VAL QG 1 37 THR MG . . 3.030 2.063 1.798 2.353 . 0 0 "[ . 1 . 2]" 1
788 1 32 VAL QG 1 43 VAL MG1 . . 3.650 2.642 1.900 3.545 . 0 0 "[ . 1 . 2]" 1
789 1 32 VAL QG 1 43 VAL MG2 . . 3.530 2.570 1.997 3.032 . 0 0 "[ . 1 . 2]" 1
790 1 32 VAL QG 1 59 LEU QD . . 4.040 3.479 2.718 4.042 0.002 4 0 "[ . 1 . 2]" 1
791 1 32 VAL QG 1 63 TRP HE1 . . 4.840 3.909 3.256 4.718 . 0 0 "[ . 1 . 2]" 1
792 1 32 VAL QG 1 66 LEU QD . . 4.290 3.950 3.533 4.324 0.034 7 0 "[ . 1 . 2]" 1
793 1 32 VAL QG 1 90 VAL HA . . 5.000 3.784 3.277 4.428 . 0 0 "[ . 1 . 2]" 1
794 1 32 VAL QG 1 90 VAL QG . . 3.550 3.113 2.205 3.662 0.112 13 0 "[ . 1 . 2]" 1
795 1 32 VAL QG 1 93 ALA H . . 5.440 5.096 4.795 5.423 . 0 0 "[ . 1 . 2]" 1
796 1 32 VAL QG 1 93 ALA MB . . 3.390 2.873 2.317 3.249 . 0 0 "[ . 1 . 2]" 1
797 1 32 VAL QG 1 97 TRP HE1 . . 4.590 4.152 3.631 4.634 0.044 20 0 "[ . 1 . 2]" 1
798 1 34 HIS H 1 35 LEU QD . . 4.760 4.109 3.543 4.538 . 0 0 "[ . 1 . 2]" 1
799 1 35 LEU H 1 35 LEU QD . . 3.330 2.694 2.095 3.117 . 0 0 "[ . 1 . 2]" 1
800 1 35 LEU HA 1 35 LEU QD . . 2.930 2.241 1.910 2.536 . 0 0 "[ . 1 . 2]" 1
801 1 35 LEU QD 1 42 ASP H . . 5.440 4.041 3.672 4.416 . 0 0 "[ . 1 . 2]" 1
802 1 35 LEU QD 1 42 ASP HA . . 3.950 3.513 3.218 3.913 . 0 0 "[ . 1 . 2]" 1
803 1 35 LEU QD 1 42 ASP HB3 . . 3.740 1.931 1.752 2.157 . 0 0 "[ . 1 . 2]" 1
804 1 35 LEU QD 1 43 VAL H . . 4.260 3.151 2.494 3.975 . 0 0 "[ . 1 . 2]" 1
805 1 35 LEU QD 1 43 VAL HA . . 3.480 2.320 1.892 2.971 . 0 0 "[ . 1 . 2]" 1
806 1 35 LEU QD 1 43 VAL HB . . 5.440 4.189 3.679 5.020 . 0 0 "[ . 1 . 2]" 1
807 1 35 LEU QD 1 46 ARG H . . 4.520 3.692 3.274 4.374 . 0 0 "[ . 1 . 2]" 1
808 1 35 LEU QD 1 46 ARG HB3 . . 3.990 2.381 2.024 3.000 . 0 0 "[ . 1 . 2]" 1
809 1 35 LEU QD 1 47 ALA MB . . 4.900 4.599 4.315 4.948 0.048 20 0 "[ . 1 . 2]" 1
810 1 37 THR H 1 38 GLY QA . . 4.750 4.229 3.929 4.394 . 0 0 "[ . 1 . 2]" 1
811 1 38 GLY QA 1 40 TRP H . . 4.560 4.303 4.034 4.556 . 0 0 "[ . 1 . 2]" 1
812 1 38 GLY QA 1 40 TRP HE1 . . 4.640 3.749 3.438 3.917 . 0 0 "[ . 1 . 2]" 1
813 1 40 TRP H 1 59 LEU QD . . 4.960 4.200 3.982 4.490 . 0 0 "[ . 1 . 2]" 1
814 1 40 TRP HA 1 59 LEU QD . . 3.770 2.165 1.890 2.529 . 0 0 "[ . 1 . 2]" 1
815 1 43 VAL MG2 1 59 LEU QD . . 3.840 2.799 2.540 3.453 . 0 0 "[ . 1 . 2]" 1
816 1 44 LYS H 1 59 LEU QD . . 3.510 2.579 2.348 2.840 . 0 0 "[ . 1 . 2]" 1
817 1 44 LYS HA 1 59 LEU QD . . 4.250 2.852 2.320 3.182 . 0 0 "[ . 1 . 2]" 1
818 1 45 MET H 1 59 LEU QD . . 4.900 4.497 4.259 4.792 . 0 0 "[ . 1 . 2]" 1
819 1 48 PHE H 1 59 LEU QD . . 5.300 5.076 4.075 5.319 0.019 12 0 "[ . 1 . 2]" 1
820 1 48 PHE HD1 1 59 LEU QD . . 4.230 4.003 2.731 4.236 0.006 9 0 "[ . 1 . 2]" 1
821 1 56 TYR H 1 59 LEU QD . . 4.820 4.423 3.338 4.828 0.008 15 0 "[ . 1 . 2]" 1
822 1 56 TYR HA 1 59 LEU QD . . 3.790 2.239 1.910 2.567 . 0 0 "[ . 1 . 2]" 1
823 1 58 ASP H 1 59 LEU QD . . 5.000 4.446 3.998 4.691 . 0 0 "[ . 1 . 2]" 1
824 1 58 ASP HB3 1 59 LEU QD . . 5.040 4.638 3.314 5.026 . 0 0 "[ . 1 . 2]" 1
825 1 59 LEU H 1 59 LEU QD . . 3.440 2.917 2.674 3.065 . 0 0 "[ . 1 . 2]" 1
826 1 59 LEU HA 1 59 LEU QD . . 3.440 3.275 2.165 3.438 . 0 0 "[ . 1 . 2]" 1
827 1 59 LEU QD 1 60 LYS H . . 3.710 2.956 2.162 3.715 0.005 15 0 "[ . 1 . 2]" 1
828 1 59 LEU QD 1 62 LYS H . . 5.310 5.010 4.681 5.312 0.002 9 0 "[ . 1 . 2]" 1
829 1 63 TRP HA 1 66 LEU QD . . 3.470 2.675 2.415 2.928 . 0 0 "[ . 1 . 2]" 1
830 1 63 TRP HA 1 90 VAL QG . . 5.140 3.676 3.166 4.331 . 0 0 "[ . 1 . 2]" 1
831 1 63 TRP HD1 1 67 VAL QG . . 3.440 2.937 1.950 3.534 0.094 10 0 "[ . 1 . 2]" 1
832 1 63 TRP HE1 1 67 VAL QG . . 3.120 2.539 1.979 3.117 . 0 0 "[ . 1 . 2]" 1
833 1 64 LYS H 1 67 VAL QG . . 4.990 4.541 4.025 4.982 . 0 0 "[ . 1 . 2]" 1
834 1 64 LYS HA 1 67 VAL QG . . 3.800 2.974 2.194 3.735 . 0 0 "[ . 1 . 2]" 1
835 1 65 THR H 1 66 LEU QD . . 5.440 5.359 5.237 5.465 0.025 9 0 "[ . 1 . 2]" 1
836 1 65 THR MG 1 66 LEU QD . . 4.590 3.800 3.548 4.081 . 0 0 "[ . 1 . 2]" 1
837 1 66 LEU H 1 66 LEU QD . . 3.790 3.639 3.537 3.720 . 0 0 "[ . 1 . 2]" 1
838 1 66 LEU H 1 67 VAL QG . . 4.460 3.971 3.505 4.384 . 0 0 "[ . 1 . 2]" 1
839 1 66 LEU HA 1 66 LEU QD . . 3.020 2.392 2.140 2.665 . 0 0 "[ . 1 . 2]" 1
840 1 66 LEU HB3 1 67 VAL QG . . 4.080 3.387 2.886 3.983 . 0 0 "[ . 1 . 2]" 1
841 1 66 LEU HB3 1 90 VAL QG . . 3.680 2.248 1.853 3.022 . 0 0 "[ . 1 . 2]" 1
842 1 66 LEU HG 1 90 VAL QG . . 4.800 4.003 1.799 4.488 . 0 0 "[ . 1 . 2]" 1
843 1 66 LEU QD 1 67 VAL H . . 3.970 3.696 3.382 3.953 . 0 0 "[ . 1 . 2]" 1
844 1 66 LEU QD 1 69 THR HB . . 5.200 3.607 3.276 4.099 . 0 0 "[ . 1 . 2]" 1
845 1 66 LEU QD 1 70 ALA H . . 4.950 4.335 3.967 4.496 . 0 0 "[ . 1 . 2]" 1
846 1 66 LEU QD 1 70 ALA MB . . 3.930 3.938 3.572 4.008 0.078 14 0 "[ . 1 . 2]" 1
847 1 66 LEU QD 1 82 VAL HB . . 5.380 4.915 3.588 5.442 0.062 14 0 "[ . 1 . 2]" 1
848 1 66 LEU QD 1 87 LEU QD . . 2.920 2.025 1.808 2.399 . 0 0 "[ . 1 . 2]" 1
849 1 66 LEU QD 1 90 VAL QG . . 2.830 2.093 1.675 2.474 . 0 0 "[ . 1 . 2]" 1
850 1 67 VAL H 1 67 VAL QG . . 2.830 2.024 1.854 2.333 . 0 0 "[ . 1 . 2]" 1
851 1 67 VAL H 1 90 VAL QG . . 4.180 2.857 2.401 3.326 . 0 0 "[ . 1 . 2]" 1
852 1 67 VAL HA 1 67 VAL QG . . 2.820 2.185 2.082 2.332 . 0 0 "[ . 1 . 2]" 1
853 1 67 VAL HA 1 90 VAL QG . . 3.850 2.094 1.869 2.424 . 0 0 "[ . 1 . 2]" 1
854 1 67 VAL HA 1 91 LEU QD . . 3.880 3.040 2.185 3.833 . 0 0 "[ . 1 . 2]" 1
855 1 67 VAL HB 1 90 VAL QG . . 5.400 3.179 1.864 4.186 . 0 0 "[ . 1 . 2]" 1
856 1 67 VAL QG 1 68 HIS H . . 3.270 2.648 1.921 3.099 . 0 0 "[ . 1 . 2]" 1
857 1 67 VAL QG 1 68 HIS HA . . 4.220 3.291 3.034 3.763 . 0 0 "[ . 1 . 2]" 1
858 1 67 VAL QG 1 69 THR H . . 4.740 4.145 3.812 4.372 . 0 0 "[ . 1 . 2]" 1
859 1 67 VAL QG 1 70 ALA H . . 4.230 3.972 3.921 4.056 . 0 0 "[ . 1 . 2]" 1
860 1 67 VAL QG 1 70 ALA MB . . 3.310 3.068 2.956 3.185 . 0 0 "[ . 1 . 2]" 1
861 1 67 VAL QG 1 71 SER H . . 4.560 4.290 4.129 4.422 . 0 0 "[ . 1 . 2]" 1
862 1 67 VAL QG 1 72 ILE H . . 5.440 5.550 5.467 5.662 0.222 16 0 "[ . 1 . 2]" 1
863 1 67 VAL QG 1 72 ILE MG . . 4.760 4.334 4.113 4.712 . 0 0 "[ . 1 . 2]" 1
864 1 67 VAL QG 1 87 LEU QD . . 5.370 4.434 4.231 4.627 . 0 0 "[ . 1 . 2]" 1
865 1 67 VAL QG 1 90 VAL HA . . 5.170 4.518 3.735 5.195 0.025 8 0 "[ . 1 . 2]" 1
866 1 67 VAL QG 1 90 VAL QG . . 3.140 2.067 1.674 2.587 . 0 0 "[ . 1 . 2]" 1
867 1 67 VAL QG 1 91 LEU HA . . 4.200 3.022 2.303 3.616 . 0 0 "[ . 1 . 2]" 1
868 1 67 VAL QG 1 91 LEU QD . . 3.100 2.006 1.731 2.467 . 0 0 "[ . 1 . 2]" 1
869 1 67 VAL QG 1 95 ALA H . . 5.440 4.824 4.191 5.446 0.006 19 0 "[ . 1 . 2]" 1
870 1 68 HIS H 1 90 VAL QG . . 5.440 4.570 4.161 4.967 . 0 0 "[ . 1 . 2]" 1
871 1 69 THR HB 1 82 VAL QG . . 4.690 3.887 3.170 4.710 0.020 15 0 "[ . 1 . 2]" 1
872 1 69 THR HB 1 87 LEU QD . . 4.040 2.698 2.129 3.726 . 0 0 "[ . 1 . 2]" 1
873 1 69 THR MG 1 82 VAL QG . . 3.330 2.043 1.660 2.486 . 0 0 "[ . 1 . 2]" 1
874 1 70 ALA H 1 87 LEU QD . . 3.730 2.518 2.400 2.723 . 0 0 "[ . 1 . 2]" 1
875 1 70 ALA H 1 90 VAL QG . . 4.410 4.197 3.738 4.504 0.094 20 0 "[ . 1 . 2]" 1
876 1 70 ALA HA 1 82 VAL QG . . 4.790 4.204 3.831 4.589 . 0 0 "[ . 1 . 2]" 1
877 1 70 ALA HA 1 87 LEU QD . . 3.290 1.817 1.735 1.893 . 0 0 "[ . 1 . 2]" 1
878 1 70 ALA HA 1 90 VAL QG . . 5.220 4.805 4.314 5.303 0.083 14 0 "[ . 1 . 2]" 1
879 1 70 ALA HA 1 91 LEU QD . . 4.790 3.729 3.624 3.918 . 0 0 "[ . 1 . 2]" 1
880 1 70 ALA MB 1 87 LEU QD . . 3.440 2.331 2.016 2.489 . 0 0 "[ . 1 . 2]" 1
881 1 72 ILE MD 1 91 LEU QD . . 2.810 2.372 1.847 2.780 . 0 0 "[ . 1 . 2]" 1
882 1 81 PRO HA 1 82 VAL QG . . 5.320 3.477 3.337 3.601 . 0 0 "[ . 1 . 2]" 1
883 1 82 VAL H 1 82 VAL QG . . 2.810 2.136 1.895 2.483 . 0 0 "[ . 1 . 2]" 1
884 1 82 VAL HA 1 82 VAL QG . . 2.830 2.288 2.072 2.413 . 0 0 "[ . 1 . 2]" 1
885 1 82 VAL HA 1 87 LEU QD . . 4.520 4.462 4.043 4.619 0.099 7 0 "[ . 1 . 2]" 1
886 1 82 VAL HB 1 87 LEU QD . . 3.690 3.013 2.201 3.678 . 0 0 "[ . 1 . 2]" 1
887 1 82 VAL QG 1 83 PRO HA . . 4.250 4.047 3.763 4.263 0.013 20 0 "[ . 1 . 2]" 1
888 1 82 VAL QG 1 83 PRO HD3 . . 4.600 3.474 3.137 3.874 . 0 0 "[ . 1 . 2]" 1
889 1 82 VAL QG 1 84 GLN HA . . 4.480 3.936 3.633 4.452 . 0 0 "[ . 1 . 2]" 1
890 1 82 VAL QG 1 87 LEU H . . 4.200 3.952 3.601 4.411 0.211 12 0 "[ . 1 . 2]" 1
891 1 82 VAL QG 1 87 LEU HB3 . . 4.500 4.313 4.046 4.514 0.014 19 0 "[ . 1 . 2]" 1
892 1 82 VAL QG 1 87 LEU HG . . 3.480 2.306 2.013 2.676 . 0 0 "[ . 1 . 2]" 1
893 1 82 VAL QG 1 87 LEU QD . . 2.600 1.748 1.636 2.045 . 0 0 "[ . 1 . 2]" 1
894 1 84 GLN HA 1 87 LEU QD . . 3.690 3.076 2.821 3.212 . 0 0 "[ . 1 . 2]" 1
895 1 86 LEU H 1 87 LEU QD . . 4.620 4.679 4.579 4.748 0.128 19 0 "[ . 1 . 2]" 1
896 1 87 LEU H 1 87 LEU QD . . 3.350 2.990 2.849 3.213 . 0 0 "[ . 1 . 2]" 1
897 1 87 LEU H 1 90 VAL QG . . 4.850 4.273 3.840 4.910 0.060 18 0 "[ . 1 . 2]" 1
898 1 87 LEU HA 1 87 LEU QD . . 2.910 1.928 1.913 1.956 . 0 0 "[ . 1 . 2]" 1
899 1 87 LEU HA 1 90 VAL QG . . 3.090 2.544 1.878 3.028 . 0 0 "[ . 1 . 2]" 1
900 1 87 LEU QD 1 88 ASP H . . 4.160 4.088 3.951 4.161 0.001 13 0 "[ . 1 . 2]" 1
901 1 87 LEU QD 1 90 VAL H . . 4.880 4.820 4.685 4.922 0.042 12 0 "[ . 1 . 2]" 1
902 1 87 LEU QD 1 90 VAL QG . . 4.480 2.982 2.586 3.340 . 0 0 "[ . 1 . 2]" 1
903 1 87 LEU QD 1 91 LEU H . . 5.440 5.083 4.900 5.295 . 0 0 "[ . 1 . 2]" 1
904 1 88 ASP H 1 90 VAL QG . . 4.960 4.549 3.926 4.983 0.023 17 0 "[ . 1 . 2]" 1
905 1 88 ASP HA 1 91 LEU QD . . 3.490 3.249 2.841 3.565 0.075 16 0 "[ . 1 . 2]" 1
906 1 89 ARG H 1 90 VAL QG . . 4.610 4.110 3.784 4.585 . 0 0 "[ . 1 . 2]" 1
907 1 90 VAL H 1 90 VAL QG . . 3.010 2.416 1.986 2.865 . 0 0 "[ . 1 . 2]" 1
908 1 90 VAL H 1 91 LEU QD . . 5.440 4.773 4.014 5.245 . 0 0 "[ . 1 . 2]" 1
909 1 90 VAL HA 1 90 VAL QG . . 3.090 2.117 1.920 2.227 . 0 0 "[ . 1 . 2]" 1
910 1 90 VAL HA 1 91 LEU QD . . 5.440 5.112 4.334 5.542 0.102 1 0 "[ . 1 . 2]" 1
911 1 90 VAL QG 1 91 LEU H . . 3.560 2.499 1.961 3.140 . 0 0 "[ . 1 . 2]" 1
912 1 90 VAL QG 1 93 ALA H . . 4.700 4.483 4.381 4.610 . 0 0 "[ . 1 . 2]" 1
913 1 90 VAL QG 1 93 ALA MB . . 4.520 3.921 3.678 4.119 . 0 0 "[ . 1 . 2]" 1
914 1 90 VAL QG 1 94 HIS H . . 5.440 3.753 3.579 4.066 . 0 0 "[ . 1 . 2]" 1
915 1 91 LEU HA 1 91 LEU QD . . 2.930 1.993 1.878 2.226 . 0 0 "[ . 1 . 2]" 1
916 1 91 LEU HB3 1 91 LEU QD . . 2.980 2.225 2.064 2.442 . 0 0 "[ . 1 . 2]" 1
917 1 91 LEU QD 1 92 ALA H . . 4.860 4.141 3.937 4.300 . 0 0 "[ . 1 . 2]" 1
918 1 91 LEU QD 1 94 HIS H . . 5.440 4.804 4.330 5.142 . 0 0 "[ . 1 . 2]" 1
919 1 91 LEU QD 1 95 ALA H . . 5.440 4.540 3.950 5.144 . 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 62
_Distance_constraint_stats_list.Viol_count 227
_Distance_constraint_stats_list.Viol_total 205.792
_Distance_constraint_stats_list.Viol_max 0.346
_Distance_constraint_stats_list.Viol_rms 0.0286
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0083
_Distance_constraint_stats_list.Viol_average_violations_only 0.0453
_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 25 VAL 0.204 0.058 17 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ALA 0.028 0.012 14 0 "[ . 1 . 2]"
1 28 LEU 0.013 0.013 19 0 "[ . 1 . 2]"
1 29 VAL 3.554 0.346 6 0 "[ . 1 . 2]"
1 30 GLU 0.825 0.124 10 0 "[ . 1 . 2]"
1 31 ALA 0.028 0.012 14 0 "[ . 1 . 2]"
1 32 VAL 3.363 0.346 6 0 "[ . 1 . 2]"
1 34 HIS 0.825 0.124 10 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 TRP 0.005 0.005 9 0 "[ . 1 . 2]"
1 41 ARG 1.042 0.078 9 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LYS 0.005 0.005 9 0 "[ . 1 . 2]"
1 45 MET 1.042 0.078 9 0 "[ . 1 . 2]"
1 46 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 VAL 0.024 0.022 13 0 "[ . 1 . 2]"
1 58 ASP 0.460 0.067 9 0 "[ . 1 . 2]"
1 59 LEU 0.177 0.056 12 0 "[ . 1 . 2]"
1 60 LYS 0.004 0.004 16 0 "[ . 1 . 2]"
1 61 ASP 0.118 0.041 7 0 "[ . 1 . 2]"
1 62 LYS 0.643 0.067 9 0 "[ . 1 . 2]"
1 63 TRP 0.177 0.056 12 0 "[ . 1 . 2]"
1 64 LYS 0.594 0.079 10 0 "[ . 1 . 2]"
1 65 THR 0.388 0.089 15 0 "[ . 1 . 2]"
1 66 LEU 1.116 0.116 1 0 "[ . 1 . 2]"
1 67 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 HIS 0.589 0.079 10 0 "[ . 1 . 2]"
1 69 THR 0.294 0.089 15 0 "[ . 1 . 2]"
1 70 ALA 0.932 0.116 1 0 "[ . 1 . 2]"
1 85 ASP 0.475 0.087 20 0 "[ . 1 . 2]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LEU 0.750 0.164 12 0 "[ . 1 . 2]"
1 88 ASP 0.432 0.095 10 0 "[ . 1 . 2]"
1 89 ARG 0.659 0.087 20 0 "[ . 1 . 2]"
1 90 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LEU 0.824 0.164 12 0 "[ . 1 . 2]"
1 92 ALA 0.495 0.095 10 0 "[ . 1 . 2]"
1 93 ALA 0.184 0.061 18 0 "[ . 1 . 2]"
1 94 HIS 0.036 0.024 20 0 "[ . 1 . 2]"
1 95 ALA 0.124 0.075 19 0 "[ . 1 . 2]"
1 96 TYR 0.064 0.042 19 0 "[ . 1 . 2]"
1 97 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 SER 0.036 0.024 20 0 "[ . 1 . 2]"
1 99 GLN 0.049 0.034 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 25 VAL O 1 29 VAL H . . 2.300 2.170 1.932 2.358 0.058 17 0 "[ . 1 . 2]" 2
2 1 25 VAL O 1 29 VAL N . . 3.300 3.129 2.910 3.308 0.008 19 0 "[ . 1 . 2]" 2
3 1 26 GLU O 1 30 GLU H . . 2.300 1.999 1.795 2.299 . 0 0 "[ . 1 . 2]" 2
4 1 26 GLU O 1 30 GLU N . . 3.300 2.921 2.746 3.230 . 0 0 "[ . 1 . 2]" 2
5 1 27 ALA O 1 31 ALA H . . 2.300 2.031 1.800 2.312 0.012 14 0 "[ . 1 . 2]" 2
6 1 27 ALA O 1 31 ALA N . . 3.300 2.888 2.720 3.215 . 0 0 "[ . 1 . 2]" 2
7 1 28 LEU O 1 32 VAL H . . 2.300 2.115 1.942 2.313 0.013 19 0 "[ . 1 . 2]" 2
8 1 28 LEU O 1 32 VAL N . . 3.300 3.006 2.871 3.150 . 0 0 "[ . 1 . 2]" 2
9 1 29 VAL O 1 32 VAL H . . 2.300 2.467 2.364 2.646 0.346 6 0 "[ . 1 . 2]" 2
10 1 29 VAL O 1 32 VAL N . . 3.300 2.970 2.877 3.151 . 0 0 "[ . 1 . 2]" 2
11 1 30 GLU O 1 34 HIS H . . 2.300 2.317 2.110 2.424 0.124 10 0 "[ . 1 . 2]" 2
12 1 30 GLU O 1 34 HIS N . . 3.300 3.208 3.020 3.325 0.025 10 0 "[ . 1 . 2]" 2
13 1 31 ALA O 1 35 LEU H . . 2.300 1.862 1.785 1.978 . 0 0 "[ . 1 . 2]" 2
14 1 31 ALA O 1 35 LEU N . . 3.300 2.767 2.710 2.906 . 0 0 "[ . 1 . 2]" 2
15 1 40 TRP O 1 44 LYS H . . 2.300 2.167 1.809 2.305 0.005 9 0 "[ . 1 . 2]" 2
16 1 40 TRP O 1 44 LYS N . . 3.300 3.015 2.740 3.135 . 0 0 "[ . 1 . 2]" 2
17 1 41 ARG O 1 45 MET H . . 2.300 2.337 2.168 2.378 0.078 9 0 "[ . 1 . 2]" 2
18 1 41 ARG O 1 45 MET N . . 3.300 3.279 3.126 3.333 0.033 11 0 "[ . 1 . 2]" 2
19 1 42 ASP O 1 46 ARG H . . 2.300 1.914 1.828 2.176 . 0 0 "[ . 1 . 2]" 2
20 1 42 ASP O 1 46 ARG N . . 3.300 2.774 2.709 3.005 . 0 0 "[ . 1 . 2]" 2
21 1 57 VAL O 1 61 ASP H . . 2.300 2.057 1.785 2.322 0.022 13 0 "[ . 1 . 2]" 2
22 1 57 VAL O 1 61 ASP N . . 3.300 2.931 2.718 3.253 . 0 0 "[ . 1 . 2]" 2
23 1 58 ASP O 1 62 LYS H . . 2.300 2.289 1.940 2.367 0.067 9 0 "[ . 1 . 2]" 2
24 1 58 ASP O 1 62 LYS N . . 3.300 3.218 2.808 3.330 0.030 9 0 "[ . 1 . 2]" 2
25 1 59 LEU O 1 63 TRP H . . 2.300 2.250 1.846 2.356 0.056 12 0 "[ . 1 . 2]" 2
26 1 59 LEU O 1 63 TRP N . . 3.300 3.132 2.741 3.246 . 0 0 "[ . 1 . 2]" 2
27 1 60 LYS O 1 64 LYS H . . 2.300 2.141 1.825 2.304 0.004 16 0 "[ . 1 . 2]" 2
28 1 60 LYS O 1 64 LYS N . . 3.300 3.093 2.739 3.251 . 0 0 "[ . 1 . 2]" 2
29 1 61 ASP O 1 65 THR H . . 2.300 2.165 1.852 2.341 0.041 7 0 "[ . 1 . 2]" 2
30 1 61 ASP O 1 65 THR N . . 3.300 3.129 2.825 3.295 . 0 0 "[ . 1 . 2]" 2
31 1 62 LYS O 1 66 LEU H . . 2.300 2.252 2.123 2.343 0.043 9 0 "[ . 1 . 2]" 2
32 1 62 LYS O 1 66 LEU N . . 3.300 3.021 2.895 3.089 . 0 0 "[ . 1 . 2]" 2
33 1 63 TRP O 1 67 VAL H . . 2.300 2.038 1.825 2.177 . 0 0 "[ . 1 . 2]" 2
34 1 63 TRP O 1 67 VAL N . . 3.300 2.994 2.793 3.136 . 0 0 "[ . 1 . 2]" 2
35 1 64 LYS O 1 68 HIS H . . 2.300 2.300 2.162 2.379 0.079 10 0 "[ . 1 . 2]" 2
36 1 64 LYS O 1 68 HIS N . . 3.300 3.259 3.129 3.350 0.050 13 0 "[ . 1 . 2]" 2
37 1 65 THR O 1 69 THR H . . 2.300 2.259 2.004 2.389 0.089 15 0 "[ . 1 . 2]" 2
38 1 65 THR O 1 69 THR N . . 3.300 3.016 2.753 3.234 . 0 0 "[ . 1 . 2]" 2
39 1 66 LEU O 1 70 ALA H . . 2.300 2.315 2.013 2.416 0.116 1 0 "[ . 1 . 2]" 2
40 1 66 LEU O 1 70 ALA N . . 3.300 3.087 2.784 3.195 . 0 0 "[ . 1 . 2]" 2
41 1 85 ASP O 1 89 ARG H . . 2.300 2.294 2.132 2.387 0.087 20 0 "[ . 1 . 2]" 2
42 1 85 ASP O 1 89 ARG N . . 3.300 3.156 2.985 3.328 0.028 20 0 "[ . 1 . 2]" 2
43 1 86 LEU O 1 90 VAL H . . 2.300 1.872 1.779 2.160 . 0 0 "[ . 1 . 2]" 2
44 1 86 LEU O 1 90 VAL N . . 3.300 2.807 2.717 3.076 . 0 0 "[ . 1 . 2]" 2
45 1 87 LEU O 1 91 LEU H . . 2.300 2.261 2.001 2.464 0.164 12 0 "[ . 1 . 2]" 2
46 1 87 LEU O 1 91 LEU N . . 3.300 3.161 2.948 3.272 . 0 0 "[ . 1 . 2]" 2
47 1 88 ASP O 1 92 ALA H . . 2.300 2.295 2.106 2.395 0.095 10 0 "[ . 1 . 2]" 2
48 1 88 ASP O 1 92 ALA N . . 3.300 3.130 2.873 3.229 . 0 0 "[ . 1 . 2]" 2
49 1 89 ARG O 1 93 ALA H . . 2.300 2.213 2.000 2.361 0.061 18 0 "[ . 1 . 2]" 2
50 1 89 ARG O 1 93 ALA N . . 3.300 3.166 2.958 3.321 0.021 18 0 "[ . 1 . 2]" 2
51 1 90 VAL O 1 94 HIS H . . 2.300 1.959 1.808 2.165 . 0 0 "[ . 1 . 2]" 2
52 1 90 VAL O 1 94 HIS N . . 3.300 2.884 2.756 3.087 . 0 0 "[ . 1 . 2]" 2
53 1 91 LEU O 1 95 ALA H . . 2.300 2.041 1.796 2.375 0.075 19 0 "[ . 1 . 2]" 2
54 1 91 LEU O 1 95 ALA N . . 3.300 2.923 2.729 3.110 . 0 0 "[ . 1 . 2]" 2
55 1 92 ALA O 1 96 TYR H . . 2.300 2.076 1.817 2.342 0.042 19 0 "[ . 1 . 2]" 2
56 1 92 ALA O 1 96 TYR N . . 3.300 2.989 2.732 3.268 . 0 0 "[ . 1 . 2]" 2
57 1 93 ALA O 1 97 TRP H . . 2.300 1.802 1.779 1.880 . 0 0 "[ . 1 . 2]" 2
58 1 93 ALA O 1 97 TRP N . . 3.300 2.770 2.745 2.858 . 0 0 "[ . 1 . 2]" 2
59 1 94 HIS O 1 98 SER H . . 2.300 2.179 1.887 2.324 0.024 20 0 "[ . 1 . 2]" 2
60 1 94 HIS O 1 98 SER N . . 3.300 2.978 2.747 3.092 . 0 0 "[ . 1 . 2]" 2
61 1 95 ALA O 1 99 GLN H . . 2.300 2.255 1.841 2.334 0.034 5 0 "[ . 1 . 2]" 2
62 1 95 ALA O 1 99 GLN N . . 3.300 3.091 2.721 3.271 . 0 0 "[ . 1 . 2]" 2
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