NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
448042 |
2mob   |
4486 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mob
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 623
_Distance_constraint_stats_list.Viol_count 1181
_Distance_constraint_stats_list.Viol_total 2292.051
_Distance_constraint_stats_list.Viol_max 0.464
_Distance_constraint_stats_list.Viol_rms 0.0641
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0164
_Distance_constraint_stats_list.Viol_average_violations_only 0.1294
_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 36 ASN 0.410 0.067 1 0 "[ . 1 .]"
1 37 ALA 3.144 0.208 12 0 "[ . 1 .]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 39 VAL 0.003 0.002 8 0 "[ . 1 .]"
1 40 LEU 1.242 0.195 12 0 "[ . 1 .]"
1 41 VAL 0.017 0.017 4 0 "[ . 1 .]"
1 42 LEU 7.177 0.455 10 0 "[ . 1 .]"
1 43 MET 0.618 0.161 1 0 "[ . 1 .]"
1 44 LYS 0.543 0.161 1 0 "[ . 1 .]"
1 45 SER 0.000 0.000 . 0 "[ . 1 .]"
1 46 ASP 0.017 0.017 10 0 "[ . 1 .]"
1 47 GLU 0.337 0.072 15 0 "[ . 1 .]"
1 48 ILE 13.974 0.437 8 0 "[ . 1 .]"
1 49 ASP 3.060 0.152 12 0 "[ . 1 .]"
1 50 ALA 3.787 0.180 4 0 "[ . 1 .]"
1 51 ILE 21.408 0.450 10 0 "[ . 1 .]"
1 52 ILE 6.744 0.262 2 0 "[ . 1 .]"
1 53 GLU 2.820 0.234 8 0 "[ . 1 .]"
1 54 ASP 7.739 0.326 6 0 "[ . 1 .]"
1 55 ILE 4.443 0.262 2 0 "[ . 1 .]"
1 56 VAL 0.839 0.068 4 0 "[ . 1 .]"
1 57 LEU 1.417 0.234 8 0 "[ . 1 .]"
1 58 LYS 0.742 0.076 1 0 "[ . 1 .]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 60 GLY 0.191 0.057 6 0 "[ . 1 .]"
1 61 LYS 0.035 0.026 10 0 "[ . 1 .]"
1 62 ALA 5.915 0.413 10 0 "[ . 1 .]"
1 63 LYS 1.338 0.120 12 0 "[ . 1 .]"
1 64 ASN 0.436 0.087 13 0 "[ . 1 .]"
1 65 PRO 0.013 0.007 6 0 "[ . 1 .]"
1 66 SER 6.753 0.381 5 0 "[ . 1 .]"
1 67 ILE 13.088 0.409 2 0 "[ . 1 .]"
1 68 VAL 0.059 0.041 3 0 "[ . 1 .]"
1 69 VAL 0.478 0.035 13 0 "[ . 1 .]"
1 70 GLU 0.061 0.041 3 0 "[ . 1 .]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 72 LYS 0.019 0.012 1 0 "[ . 1 .]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 74 GLY 0.470 0.155 1 0 "[ . 1 .]"
1 75 PHE 0.823 0.155 1 0 "[ . 1 .]"
1 76 TRP 0.249 0.157 13 0 "[ . 1 .]"
1 77 TRP 0.344 0.119 5 0 "[ . 1 .]"
1 78 ILE 0.408 0.157 13 0 "[ . 1 .]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 81 ASP 0.570 0.082 7 0 "[ . 1 .]"
1 82 GLY 0.569 0.082 7 0 "[ . 1 .]"
1 83 ALA 0.007 0.003 6 0 "[ . 1 .]"
1 84 ILE 0.195 0.175 3 0 "[ . 1 .]"
1 85 GLU 6.261 0.434 2 0 "[ . 1 .]"
1 86 ILE 9.340 0.453 4 0 "[ . 1 .]"
1 87 ASP 0.069 0.018 3 0 "[ . 1 .]"
1 88 ALA 0.581 0.049 11 0 "[ . 1 .]"
1 89 ALA 1.957 0.086 11 0 "[ . 1 .]"
1 90 GLU 2.221 0.086 11 0 "[ . 1 .]"
1 91 ALA 1.866 0.190 3 0 "[ . 1 .]"
1 92 GLY 0.105 0.088 8 0 "[ . 1 .]"
1 93 GLU 2.039 0.325 1 0 "[ . 1 .]"
1 94 LEU 0.287 0.117 5 0 "[ . 1 .]"
1 95 LEU 4.642 0.219 12 0 "[ . 1 .]"
1 96 GLY 3.076 0.464 8 0 "[ . 1 .]"
1 97 LYS 4.355 0.325 1 0 "[ . 1 .]"
1 98 PRO 4.459 0.303 2 0 "[ . 1 .]"
1 99 PHE 4.525 0.464 8 0 "[ . 1 .]"
1 100 SER 1.447 0.242 5 0 "[ . 1 .]"
1 101 VAL 9.028 0.421 5 0 "[ . 1 .]"
1 102 TYR 0.418 0.174 12 0 "[ . 1 .]"
1 103 ASP 0.053 0.037 7 0 "[ . 1 .]"
1 104 LEU 0.116 0.061 9 0 "[ . 1 .]"
1 105 LEU 1.265 0.143 7 0 "[ . 1 .]"
1 106 ILE 7.051 0.353 12 0 "[ . 1 .]"
1 107 ASN 0.014 0.014 10 0 "[ . 1 .]"
1 108 VAL 0.782 0.143 7 0 "[ . 1 .]"
1 109 SER 10.275 0.411 4 0 "[ . 1 .]"
1 110 SER 0.840 0.200 4 0 "[ . 1 .]"
1 111 THR 5.668 0.411 4 0 "[ . 1 .]"
1 112 VAL 1.878 0.193 14 0 "[ . 1 .]"
1 113 GLY 0.035 0.035 15 0 "[ . 1 .]"
1 114 ARG 6.130 0.433 11 0 "[ . 1 .]"
1 115 ALA 0.001 0.001 10 0 "[ . 1 .]"
1 116 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 117 THR 0.275 0.028 14 0 "[ . 1 .]"
1 118 LEU 4.526 0.361 13 0 "[ . 1 .]"
1 119 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 120 THR 4.509 0.361 13 0 "[ . 1 .]"
1 121 LYS 0.306 0.045 4 0 "[ . 1 .]"
1 122 PHE 0.363 0.085 5 0 "[ . 1 .]"
1 123 THR 6.307 0.425 8 0 "[ . 1 .]"
1 124 ILE 0.187 0.085 5 0 "[ . 1 .]"
1 125 THR 0.114 0.052 12 0 "[ . 1 .]"
1 126 SER 0.697 0.090 11 0 "[ . 1 .]"
1 127 GLU 0.586 0.090 11 0 "[ . 1 .]"
1 128 LEU 3.424 0.290 6 0 "[ . 1 .]"
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 37 ALA H 1 37 ALA HA 1.800 . 2.500 2.682 2.638 2.708 0.208 12 0 "[ . 1 .]" 1
2 1 37 ALA H 1 37 ALA MB 1.800 . 3.000 2.092 1.971 2.184 . 0 0 "[ . 1 .]" 1
3 1 38 VAL H 1 38 VAL QG 1.800 . 4.000 2.209 1.831 3.114 . 0 0 "[ . 1 .]" 1
4 1 38 VAL HA 1 38 VAL QG 1.800 . 4.000 2.232 1.992 2.408 . 0 0 "[ . 1 .]" 1
5 1 39 VAL H 1 39 VAL HA 1.800 . 3.000 2.985 2.930 3.001 0.001 13 0 "[ . 1 .]" 1
6 1 39 VAL H 1 39 VAL HB 1.800 . 4.000 2.907 2.502 3.370 . 0 0 "[ . 1 .]" 1
7 1 39 VAL H 1 39 VAL QG 1.800 . 4.000 2.043 1.859 2.197 . 0 0 "[ . 1 .]" 1
8 1 40 LEU H 1 40 LEU HA 1.800 . 3.000 2.985 2.894 3.004 0.004 3 0 "[ . 1 .]" 1
9 1 40 LEU H 1 40 LEU HG 1.800 . 4.000 4.058 3.930 4.195 0.195 12 0 "[ . 1 .]" 1
10 1 40 LEU HA 1 40 LEU QB 1.800 . 2.700 2.331 2.275 2.547 . 0 0 "[ . 1 .]" 1
11 1 40 LEU HA 1 40 LEU HG 1.800 . 3.300 3.086 2.150 3.325 0.025 3 0 "[ . 1 .]" 1
12 1 40 LEU HA 1 40 LEU QD 1.800 . 4.000 2.179 1.833 2.887 . 0 0 "[ . 1 .]" 1
13 1 40 LEU QB 1 40 LEU QD 1.800 . 2.700 1.894 1.762 1.962 0.038 12 0 "[ . 1 .]" 1
14 1 40 LEU H 1 40 LEU QB 1.800 . 5.000 2.206 2.103 2.432 . 0 0 "[ . 1 .]" 1
15 1 41 VAL H 1 41 VAL HB 1.800 . 3.000 2.555 2.294 2.830 . 0 0 "[ . 1 .]" 1
16 1 41 VAL H 1 41 VAL QG 1.800 . 4.000 2.999 2.710 3.215 . 0 0 "[ . 1 .]" 1
17 1 41 VAL HA 1 41 VAL QG 1.800 . 3.000 2.032 1.961 2.131 . 0 0 "[ . 1 .]" 1
18 1 41 VAL HB 1 41 VAL QG 1.800 . 2.500 1.893 1.884 1.908 . 0 0 "[ . 1 .]" 1
19 1 42 LEU H 1 42 LEU QB 1.800 . 3.000 2.417 2.249 2.580 . 0 0 "[ . 1 .]" 1
20 1 42 LEU H 1 42 LEU HA 1.800 . 2.500 2.938 2.923 2.955 0.455 10 0 "[ . 1 .]" 1
21 1 42 LEU HA 1 42 LEU QD 1.800 . 3.300 2.022 1.709 2.817 0.091 1 0 "[ . 1 .]" 1
22 1 42 LEU QB 1 42 LEU QD 1.800 . 3.300 1.934 1.754 2.095 0.046 4 0 "[ . 1 .]" 1
23 1 43 MET H 1 43 MET QG 1.800 . 3.000 2.106 1.850 2.419 . 0 0 "[ . 1 .]" 1
24 1 43 MET HA 1 43 MET QG 1.800 . 4.000 3.303 3.284 3.359 . 0 0 "[ . 1 .]" 1
25 1 43 MET QB 1 43 MET QG 1.800 . 4.000 2.087 2.050 2.108 . 0 0 "[ . 1 .]" 1
26 1 44 LYS H 1 44 LYS QB 1.800 . 3.500 2.102 1.902 2.487 . 0 0 "[ . 1 .]" 1
27 1 44 LYS H 1 44 LYS QG 1.800 . 3.500 2.780 1.989 3.247 . 0 0 "[ . 1 .]" 1
28 1 44 LYS H 1 44 LYS HA 1.800 . 2.900 2.841 2.761 2.951 0.051 1 0 "[ . 1 .]" 1
29 1 44 LYS HA 1 44 LYS QG 1.800 . 5.000 2.477 1.896 3.314 . 0 0 "[ . 1 .]" 1
30 1 44 LYS HA 1 44 LYS QE 1.800 . 5.000 3.783 2.745 4.405 . 0 0 "[ . 1 .]" 1
31 1 44 LYS QB 1 44 LYS QG 1.800 . 5.000 2.050 2.011 2.106 . 0 0 "[ . 1 .]" 1
32 1 44 LYS QD 1 44 LYS QG 1.800 . 3.300 2.059 2.014 2.093 . 0 0 "[ . 1 .]" 1
33 1 44 LYS H 1 44 LYS QD 1.800 . 5.000 4.159 3.691 4.581 . 0 0 "[ . 1 .]" 1
34 1 44 LYS HA 1 44 LYS QD 1.800 . 5.000 3.020 1.808 4.525 . 0 0 "[ . 1 .]" 1
35 1 44 LYS QB 1 44 LYS QD 1.800 . 3.300 2.180 1.863 2.496 . 0 0 "[ . 1 .]" 1
36 1 45 SER H 1 45 SER HA 1.800 . 3.000 2.777 2.355 2.981 . 0 0 "[ . 1 .]" 1
37 1 47 GLU H 1 47 GLU HA 1.800 . 3.000 2.934 2.784 2.972 . 0 0 "[ . 1 .]" 1
38 1 47 GLU H 1 47 GLU QB 1.800 . 3.000 2.438 1.850 2.622 . 0 0 "[ . 1 .]" 1
39 1 47 GLU HA 1 47 GLU QG 1.800 . 3.000 2.451 2.031 2.600 . 0 0 "[ . 1 .]" 1
40 1 47 GLU H 1 47 GLU QG 1.800 . 3.500 2.272 1.899 3.178 . 0 0 "[ . 1 .]" 1
41 1 47 GLU QB 1 47 GLU QG 1.800 . 3.300 2.071 2.047 2.094 . 0 0 "[ . 1 .]" 1
42 1 48 ILE H 1 48 ILE HA 1.800 . 3.000 2.800 2.726 2.865 . 0 0 "[ . 1 .]" 1
43 1 48 ILE H 1 48 ILE HB 1.800 . 3.000 3.367 2.929 3.437 0.437 8 0 "[ . 1 .]" 1
44 1 48 ILE H 1 48 ILE QG 1.800 . 3.000 1.801 1.644 2.083 0.156 12 0 "[ . 1 .]" 1
45 1 48 ILE HA 1 48 ILE HB 1.800 . 3.000 2.632 2.538 2.921 . 0 0 "[ . 1 .]" 1
46 1 48 ILE HA 1 48 ILE QG 1.800 . 5.000 3.297 2.590 3.389 . 0 0 "[ . 1 .]" 1
47 1 48 ILE HA 1 48 ILE MG 1.800 . 4.000 2.007 1.835 2.062 . 0 0 "[ . 1 .]" 1
48 1 48 ILE HA 1 48 ILE MD 1.800 . 4.000 3.255 2.416 3.552 . 0 0 "[ . 1 .]" 1
49 1 48 ILE QG 1 48 ILE MG 1.800 . 3.300 2.487 1.861 2.584 . 0 0 "[ . 1 .]" 1
50 1 48 ILE MD 1 48 ILE QG 1.800 . 3.300 1.897 1.854 1.907 . 0 0 "[ . 1 .]" 1
51 1 48 ILE H 1 48 ILE MG 1.800 . 5.000 2.732 2.421 3.652 . 0 0 "[ . 1 .]" 1
52 1 48 ILE H 1 48 ILE MD 1.800 . 5.000 1.870 1.754 2.047 0.046 8 0 "[ . 1 .]" 1
53 1 48 ILE HB 1 48 ILE MD 1.800 . 3.300 2.959 1.982 3.121 . 0 0 "[ . 1 .]" 1
54 1 49 ASP H 1 49 ASP HA 1.800 . 3.000 2.769 2.743 2.804 . 0 0 "[ . 1 .]" 1
55 1 49 ASP H 1 49 ASP QB 1.800 . 3.000 2.163 1.992 2.540 . 0 0 "[ . 1 .]" 1
56 1 50 ALA H 1 50 ALA HA 1.800 . 3.000 2.917 2.891 2.927 . 0 0 "[ . 1 .]" 1
57 1 50 ALA H 1 50 ALA MB 1.800 . 3.000 2.064 1.924 2.179 . 0 0 "[ . 1 .]" 1
58 1 50 ALA HA 1 50 ALA MB 1.800 . 2.500 2.139 2.115 2.155 . 0 0 "[ . 1 .]" 1
59 1 51 ILE H 1 51 ILE HA 1.800 . 3.000 2.871 2.857 2.876 . 0 0 "[ . 1 .]" 1
60 1 51 ILE H 1 51 ILE HB 1.800 . 3.000 3.427 3.415 3.450 0.450 10 0 "[ . 1 .]" 1
61 1 51 ILE H 1 51 ILE MG 1.800 . 4.000 2.107 1.969 2.300 . 0 0 "[ . 1 .]" 1
62 1 51 ILE HA 1 51 ILE HB 1.800 . 3.000 2.426 2.373 2.458 . 0 0 "[ . 1 .]" 1
63 1 51 ILE HA 1 51 ILE MD 1.800 . 5.000 4.035 3.996 4.054 . 0 0 "[ . 1 .]" 1
64 1 51 ILE H 1 51 ILE MD 1.800 . 3.300 2.764 2.615 2.821 . 0 0 "[ . 1 .]" 1
65 1 51 ILE HB 1 51 ILE MD 1.800 . 3.300 2.686 2.609 2.782 . 0 0 "[ . 1 .]" 1
66 1 51 ILE MD 1 51 ILE MG 1.800 . 2.700 1.677 1.538 1.719 0.262 5 0 "[ . 1 .]" 1
67 1 51 ILE H 1 51 ILE QG 1.800 . 5.000 1.774 1.712 2.116 0.088 3 0 "[ . 1 .]" 1
68 1 51 ILE HA 1 51 ILE QG 1.800 . 5.000 3.282 3.262 3.314 . 0 0 "[ . 1 .]" 1
69 1 51 ILE HA 1 51 ILE MG 1.800 . 3.300 2.277 2.184 2.328 . 0 0 "[ . 1 .]" 1
70 1 51 ILE HB 1 51 ILE MG 1.800 . 2.500 2.133 2.118 2.144 . 0 0 "[ . 1 .]" 1
71 1 52 ILE H 1 52 ILE HA 1.800 . 3.000 2.812 2.795 2.838 . 0 0 "[ . 1 .]" 1
72 1 52 ILE H 1 52 ILE HB 1.800 . 2.500 2.513 2.463 2.561 0.061 13 0 "[ . 1 .]" 1
73 1 52 ILE HA 1 52 ILE HB 1.800 . 3.000 3.011 3.007 3.015 0.015 10 0 "[ . 1 .]" 1
74 1 52 ILE HA 1 52 ILE MG 1.800 . 3.000 2.294 2.228 2.396 . 0 0 "[ . 1 .]" 1
75 1 52 ILE HA 1 52 ILE MD 1.800 . 5.000 1.869 1.787 2.028 0.013 9 0 "[ . 1 .]" 1
76 1 52 ILE HB 1 52 ILE MD 1.800 . 4.000 3.186 3.163 3.204 . 0 0 "[ . 1 .]" 1
77 1 52 ILE H 1 52 ILE MD 1.800 . 5.000 3.005 2.836 3.162 . 0 0 "[ . 1 .]" 1
78 1 52 ILE MD 1 52 ILE MG 1.800 . 3.300 1.897 1.696 2.050 0.104 15 0 "[ . 1 .]" 1
79 1 52 ILE H 1 52 ILE MG 1.800 . 5.000 3.717 3.711 3.732 . 0 0 "[ . 1 .]" 1
80 1 53 GLU H 1 53 GLU HA 1.800 . 3.000 2.849 2.821 2.875 . 0 0 "[ . 1 .]" 1
81 1 53 GLU H 1 53 GLU QB 1.800 . 2.500 2.112 2.046 2.143 . 0 0 "[ . 1 .]" 1
82 1 53 GLU H 1 53 GLU QG 1.800 . 5.000 3.902 3.844 3.964 . 0 0 "[ . 1 .]" 1
83 1 53 GLU HA 1 53 GLU QG 1.800 . 3.000 2.453 2.084 2.635 . 0 0 "[ . 1 .]" 1
84 1 54 ASP H 1 54 ASP HA 1.800 . 3.000 2.935 2.922 2.953 . 0 0 "[ . 1 .]" 1
85 1 54 ASP H 1 54 ASP QB 1.800 . 2.500 2.127 1.939 2.189 . 0 0 "[ . 1 .]" 1
86 1 54 ASP HA 1 54 ASP QB 1.800 . 2.500 2.403 2.304 2.529 0.029 14 0 "[ . 1 .]" 1
87 1 55 ILE H 1 55 ILE HA 1.800 . 3.000 2.985 2.982 3.001 0.001 8 0 "[ . 1 .]" 1
88 1 55 ILE H 1 55 ILE HB 1.800 . 3.000 2.395 2.355 2.605 . 0 0 "[ . 1 .]" 1
89 1 55 ILE HA 1 55 ILE HB 1.800 . 3.000 2.692 2.662 3.002 0.002 8 0 "[ . 1 .]" 1
90 1 55 ILE H 1 55 ILE QG 1.800 . 5.000 3.948 2.007 4.097 . 0 0 "[ . 1 .]" 1
91 1 55 ILE HA 1 55 ILE QG 1.800 . 3.300 2.589 2.531 2.952 . 0 0 "[ . 1 .]" 1
92 1 55 ILE H 1 55 ILE MG 1.800 . 5.000 2.499 2.372 3.804 . 0 0 "[ . 1 .]" 1
93 1 55 ILE HA 1 55 ILE MG 1.800 . 3.300 3.051 2.282 3.112 . 0 0 "[ . 1 .]" 1
94 1 55 ILE H 1 55 ILE MD 1.800 . 5.000 3.710 3.468 3.813 . 0 0 "[ . 1 .]" 1
95 1 55 ILE HA 1 55 ILE MD 1.800 . 5.000 2.041 1.889 2.198 . 0 0 "[ . 1 .]" 1
96 1 55 ILE HB 1 55 ILE MD 1.800 . 3.300 2.310 2.209 3.128 . 0 0 "[ . 1 .]" 1
97 1 56 VAL H 1 56 VAL QG 1.800 . 4.000 2.855 2.165 2.944 . 0 0 "[ . 1 .]" 1
98 1 56 VAL HA 1 56 VAL QG 1.800 . 4.000 1.987 1.891 2.076 . 0 0 "[ . 1 .]" 1
99 1 56 VAL H 1 56 VAL HB 1.800 . 3.000 2.249 2.176 2.464 . 0 0 "[ . 1 .]" 1
100 1 56 VAL HB 1 56 VAL QG 1.800 . 3.000 1.892 1.878 1.905 . 0 0 "[ . 1 .]" 1
101 1 57 LEU H 1 57 LEU HA 1.800 . 3.000 2.841 2.737 2.895 . 0 0 "[ . 1 .]" 1
102 1 57 LEU H 1 57 LEU QB 1.800 . 3.000 2.075 1.962 2.168 . 0 0 "[ . 1 .]" 1
103 1 58 LYS H 1 58 LYS HA 1.800 . 3.000 2.963 2.934 2.994 . 0 0 "[ . 1 .]" 1
104 1 60 GLY H 1 60 GLY QA 1.800 . 2.500 2.256 2.248 2.276 . 0 0 "[ . 1 .]" 1
105 1 61 LYS H 1 61 LYS HA 1.800 . 3.000 2.885 2.758 2.991 . 0 0 "[ . 1 .]" 1
106 1 62 ALA H 1 62 ALA HA 1.800 . 2.500 2.813 2.758 2.913 0.413 10 0 "[ . 1 .]" 1
107 1 62 ALA H 1 62 ALA MB 1.800 . 3.500 2.041 1.922 2.132 . 0 0 "[ . 1 .]" 1
108 1 63 LYS H 1 63 LYS HA 1.800 . 3.000 2.970 2.904 2.997 . 0 0 "[ . 1 .]" 1
109 1 63 LYS H 1 63 LYS QG 1.800 . 3.000 1.860 1.775 2.006 0.025 14 0 "[ . 1 .]" 1
110 1 63 LYS H 1 63 LYS QE 1.800 . 3.000 2.520 2.130 2.795 . 0 0 "[ . 1 .]" 1
111 1 64 ASN H 1 64 ASN HA 1.800 . 3.000 2.881 2.864 2.901 . 0 0 "[ . 1 .]" 1
112 1 64 ASN H 1 64 ASN QB 1.800 . 3.000 1.899 1.856 1.963 . 0 0 "[ . 1 .]" 1
113 1 65 PRO QD 1 65 PRO QG 1.800 . 2.500 1.962 1.957 1.966 . 0 0 "[ . 1 .]" 1
114 1 65 PRO QB 1 65 PRO QD 1.800 . 3.000 2.587 2.558 2.611 . 0 0 "[ . 1 .]" 1
115 1 67 ILE H 1 67 ILE HA 1.800 . 2.500 2.899 2.876 2.909 0.409 2 0 "[ . 1 .]" 1
116 1 67 ILE H 1 67 ILE HB 1.800 . 3.000 1.943 1.904 1.981 . 0 0 "[ . 1 .]" 1
117 1 67 ILE H 1 67 ILE MG 1.800 . 5.000 3.465 3.441 3.504 . 0 0 "[ . 1 .]" 1
118 1 67 ILE H 1 67 ILE MD 1.800 . 5.000 2.125 2.044 2.173 . 0 0 "[ . 1 .]" 1
119 1 67 ILE HB 1 67 ILE MD 1.800 . 3.300 2.452 2.358 2.561 . 0 0 "[ . 1 .]" 1
120 1 68 VAL H 1 68 VAL HA 1.800 . 3.000 2.983 2.936 3.005 0.005 11 0 "[ . 1 .]" 1
121 1 68 VAL H 1 68 VAL QG 1.800 . 4.000 2.589 1.800 2.976 0.000 13 0 "[ . 1 .]" 1
122 1 68 VAL HA 1 68 VAL HB 1.800 . 3.000 2.764 2.324 3.000 0.000 12 0 "[ . 1 .]" 1
123 1 68 VAL HA 1 68 VAL QG 1.800 . 4.000 2.059 1.919 2.528 . 0 0 "[ . 1 .]" 1
124 1 69 VAL H 1 69 VAL HA 1.800 . 3.000 2.987 2.929 2.999 . 0 0 "[ . 1 .]" 1
125 1 69 VAL H 1 69 VAL QG 1.800 . 4.000 2.505 2.120 2.726 . 0 0 "[ . 1 .]" 1
126 1 69 VAL HA 1 69 VAL HB 1.800 . 3.000 3.031 3.026 3.035 0.035 13 0 "[ . 1 .]" 1
127 1 69 VAL HA 1 69 VAL QG 1.800 . 3.000 2.084 2.026 2.161 . 0 0 "[ . 1 .]" 1
128 1 69 VAL HB 1 69 VAL QG 1.800 . 3.300 1.909 1.898 1.918 . 0 0 "[ . 1 .]" 1
129 1 70 GLU H 1 70 GLU HA 1.800 . 3.000 2.949 2.920 2.980 . 0 0 "[ . 1 .]" 1
130 1 70 GLU H 1 70 GLU QB 1.800 . 3.000 2.473 2.002 2.655 . 0 0 "[ . 1 .]" 1
131 1 71 ASP H 1 71 ASP QB 1.800 . 3.500 2.486 2.058 3.163 . 0 0 "[ . 1 .]" 1
132 1 72 LYS H 1 72 LYS HA 1.800 . 3.000 2.984 2.952 3.012 0.012 1 0 "[ . 1 .]" 1
133 1 72 LYS H 1 72 LYS QG 1.800 . 5.000 3.631 1.982 4.207 . 0 0 "[ . 1 .]" 1
134 1 72 LYS QB 1 72 LYS QG 1.800 . 3.000 2.083 2.028 2.106 . 0 0 "[ . 1 .]" 1
135 1 75 PHE H 1 75 PHE HA 1.800 . 3.000 2.976 2.935 3.005 0.005 14 0 "[ . 1 .]" 1
136 1 76 TRP H 1 76 TRP HA 1.800 . 3.000 2.971 2.928 3.003 0.003 9 0 "[ . 1 .]" 1
137 1 77 TRP H 1 77 TRP HA 1.800 . 3.000 2.963 2.932 2.983 . 0 0 "[ . 1 .]" 1
138 1 78 ILE H 1 78 ILE HB 1.800 . 3.500 2.534 2.226 2.779 . 0 0 "[ . 1 .]" 1
139 1 78 ILE H 1 78 ILE QG 1.800 . 5.000 3.429 2.531 4.014 . 0 0 "[ . 1 .]" 1
140 1 78 ILE H 1 78 ILE MG 1.800 . 5.000 3.703 3.465 3.902 . 0 0 "[ . 1 .]" 1
141 1 78 ILE H 1 78 ILE MD 1.800 . 4.000 3.229 2.902 3.375 . 0 0 "[ . 1 .]" 1
142 1 78 ILE HA 1 78 ILE MG 1.800 . 3.300 2.550 2.331 2.730 . 0 0 "[ . 1 .]" 1
143 1 78 ILE QG 1 78 ILE MG 1.800 . 3.300 2.060 1.874 2.308 . 0 0 "[ . 1 .]" 1
144 1 78 ILE HA 1 78 ILE MD 1.800 . 5.000 2.772 1.745 3.587 0.055 3 0 "[ . 1 .]" 1
145 1 78 ILE HB 1 78 ILE MD 1.800 . 3.300 2.412 1.865 3.129 . 0 0 "[ . 1 .]" 1
146 1 78 ILE MD 1 78 ILE QG 1.800 . 2.700 1.890 1.866 1.908 . 0 0 "[ . 1 .]" 1
147 1 79 LYS H 1 79 LYS QB 1.800 . 3.000 2.397 2.093 2.894 . 0 0 "[ . 1 .]" 1
148 1 79 LYS H 1 79 LYS QG 1.800 . 5.000 3.071 1.801 3.924 . 0 0 "[ . 1 .]" 1
149 1 79 LYS HA 1 79 LYS QG 1.800 . 3.300 2.970 2.694 3.140 . 0 0 "[ . 1 .]" 1
150 1 80 ALA H 1 80 ALA HA 1.800 . 3.000 2.984 2.954 2.998 . 0 0 "[ . 1 .]" 1
151 1 81 ASP H 1 81 ASP HA 1.800 . 3.000 2.976 2.941 3.001 0.001 1 0 "[ . 1 .]" 1
152 1 81 ASP H 1 81 ASP QB 1.800 . 3.000 2.247 2.086 2.479 . 0 0 "[ . 1 .]" 1
153 1 82 GLY H 1 82 GLY QA 1.800 . 2.500 2.498 2.495 2.500 0.000 7 0 "[ . 1 .]" 1
154 1 83 ALA H 1 83 ALA HA 1.800 . 3.000 2.957 2.890 3.003 0.003 6 0 "[ . 1 .]" 1
155 1 83 ALA H 1 83 ALA MB 1.800 . 3.000 2.156 1.943 2.396 . 0 0 "[ . 1 .]" 1
156 1 84 ILE H 1 84 ILE HA 1.800 . 3.000 2.989 2.967 3.004 0.004 13 0 "[ . 1 .]" 1
157 1 84 ILE H 1 84 ILE MG 1.800 . 3.000 2.000 1.843 2.169 . 0 0 "[ . 1 .]" 1
158 1 84 ILE HA 1 84 ILE HB 1.800 . 3.000 2.481 2.431 2.531 . 0 0 "[ . 1 .]" 1
159 1 84 ILE HA 1 84 ILE MG 1.800 . 4.000 3.188 3.176 3.196 . 0 0 "[ . 1 .]" 1
160 1 84 ILE HB 1 84 ILE MD 1.800 . 2.700 2.190 2.062 2.288 . 0 0 "[ . 1 .]" 1
161 1 85 GLU H 1 85 GLU HA 1.800 . 2.500 2.917 2.851 2.934 0.434 2 0 "[ . 1 .]" 1
162 1 85 GLU HA 1 85 GLU QG 1.800 . 3.000 2.272 1.944 2.515 . 0 0 "[ . 1 .]" 1
163 1 86 ILE H 1 86 ILE HA 1.800 . 2.500 2.899 2.869 2.953 0.453 4 0 "[ . 1 .]" 1
164 1 86 ILE HA 1 86 ILE MD 1.800 . 3.000 2.542 2.146 2.866 . 0 0 "[ . 1 .]" 1
165 1 86 ILE HA 1 86 ILE HB 1.800 . 3.000 2.788 2.505 2.974 . 0 0 "[ . 1 .]" 1
166 1 86 ILE H 1 86 ILE MG 1.800 . 4.000 3.118 2.343 3.654 . 0 0 "[ . 1 .]" 1
167 1 86 ILE HA 1 86 ILE MG 1.800 . 3.300 2.844 1.988 3.123 . 0 0 "[ . 1 .]" 1
168 1 86 ILE HB 1 86 ILE MD 1.800 . 3.300 3.062 2.981 3.109 . 0 0 "[ . 1 .]" 1
169 1 86 ILE MD 1 86 ILE MG 1.800 . 2.700 1.578 1.432 1.773 0.368 3 0 "[ . 1 .]" 1
170 1 87 ASP H 1 87 ASP HA 1.800 . 3.000 2.990 2.958 3.009 0.009 7 0 "[ . 1 .]" 1
171 1 87 ASP H 1 87 ASP QB 1.800 . 3.500 2.654 2.410 2.863 . 0 0 "[ . 1 .]" 1
172 1 88 ALA H 1 88 ALA HA 1.800 . 3.000 2.942 2.930 2.968 . 0 0 "[ . 1 .]" 1
173 1 88 ALA H 1 88 ALA MB 1.800 . 4.000 2.644 2.507 2.692 . 0 0 "[ . 1 .]" 1
174 1 89 ALA H 1 89 ALA HA 1.800 . 3.000 2.746 2.727 2.776 . 0 0 "[ . 1 .]" 1
175 1 89 ALA H 1 89 ALA MB 1.800 . 4.000 2.022 1.890 2.177 . 0 0 "[ . 1 .]" 1
176 1 90 GLU H 1 90 GLU HA 1.800 . 3.000 2.825 2.778 2.903 . 0 0 "[ . 1 .]" 1
177 1 91 ALA H 1 91 ALA HA 1.800 . 3.000 2.838 2.750 2.950 . 0 0 "[ . 1 .]" 1
178 1 91 ALA H 1 91 ALA MB 1.800 . 2.900 2.042 1.911 2.186 . 0 0 "[ . 1 .]" 1
179 1 92 GLY H 1 92 GLY QA 1.800 . 2.500 2.257 2.236 2.277 . 0 0 "[ . 1 .]" 1
180 1 93 GLU H 1 93 GLU HA 1.800 . 3.000 2.844 2.740 2.913 . 0 0 "[ . 1 .]" 1
181 1 93 GLU H 1 93 GLU QB 1.800 . 3.500 2.411 2.176 2.611 . 0 0 "[ . 1 .]" 1
182 1 93 GLU H 1 93 GLU QG 1.800 . 4.000 2.105 1.772 2.511 0.028 3 0 "[ . 1 .]" 1
183 1 94 LEU H 1 94 LEU QB 1.800 . 3.000 2.137 2.070 2.188 . 0 0 "[ . 1 .]" 1
184 1 94 LEU H 1 94 LEU QD 1.800 . 5.000 3.593 3.376 3.685 . 0 0 "[ . 1 .]" 1
185 1 94 LEU H 1 94 LEU HA 1.800 . 3.000 2.920 2.820 2.958 . 0 0 "[ . 1 .]" 1
186 1 94 LEU HA 1 94 LEU HG 1.800 . 3.000 2.608 2.210 3.117 0.117 5 0 "[ . 1 .]" 1
187 1 95 LEU H 1 95 LEU HA 1.800 . 3.000 2.954 2.869 2.994 . 0 0 "[ . 1 .]" 1
188 1 95 LEU H 1 95 LEU QB 1.800 . 4.000 2.909 2.480 3.061 . 0 0 "[ . 1 .]" 1
189 1 95 LEU H 1 95 LEU HG 1.800 . 3.000 1.884 1.744 2.125 0.056 12 0 "[ . 1 .]" 1
190 1 95 LEU H 1 95 LEU QD 1.800 . 3.000 1.881 1.722 2.632 0.078 13 0 "[ . 1 .]" 1
191 1 95 LEU HA 1 95 LEU QD 1.800 . 4.000 3.247 3.075 3.346 . 0 0 "[ . 1 .]" 1
192 1 95 LEU QB 1 95 LEU QD 1.800 . 3.000 1.823 1.721 1.882 0.079 5 0 "[ . 1 .]" 1
193 1 95 LEU HA 1 95 LEU HG 1.800 . 3.500 3.295 2.761 3.569 0.069 6 0 "[ . 1 .]" 1
194 1 95 LEU QD 1 95 LEU HG 1.800 . 3.300 1.895 1.877 1.910 . 0 0 "[ . 1 .]" 1
195 1 97 LYS H 1 97 LYS HA 1.800 . 3.000 2.889 2.765 3.009 0.009 2 0 "[ . 1 .]" 1
196 1 97 LYS H 1 97 LYS QG 1.800 . 5.000 3.460 2.158 4.149 . 0 0 "[ . 1 .]" 1
197 1 97 LYS QB 1 97 LYS QG 1.800 . 4.000 2.090 2.044 2.113 . 0 0 "[ . 1 .]" 1
198 1 98 PRO QD 1 98 PRO QG 1.800 . 3.300 1.951 1.923 1.966 . 0 0 "[ . 1 .]" 1
199 1 99 PHE H 1 99 PHE HA 1.800 . 3.000 2.709 2.600 2.793 . 0 0 "[ . 1 .]" 1
200 1 99 PHE H 1 99 PHE QB 1.800 . 3.000 2.112 2.041 2.223 . 0 0 "[ . 1 .]" 1
201 1 99 PHE H 1 99 PHE QD 1.800 . 4.000 3.257 1.842 4.126 0.126 8 0 "[ . 1 .]" 1
202 1 100 SER H 1 100 SER QB 1.800 . 3.500 2.310 1.917 2.932 . 0 0 "[ . 1 .]" 1
203 1 101 VAL H 1 101 VAL HA 1.800 . 3.000 2.879 2.818 2.921 . 0 0 "[ . 1 .]" 1
204 1 101 VAL H 1 101 VAL HB 1.800 . 3.000 2.238 1.880 2.645 . 0 0 "[ . 1 .]" 1
205 1 101 VAL H 1 101 VAL QG 1.800 . 4.000 2.267 1.827 2.830 . 0 0 "[ . 1 .]" 1
206 1 101 VAL HA 1 101 VAL HB 1.800 . 2.500 2.895 2.799 2.921 0.421 5 0 "[ . 1 .]" 1
207 1 101 VAL HA 1 101 VAL QG 1.800 . 4.000 1.979 1.868 2.039 . 0 0 "[ . 1 .]" 1
208 1 101 VAL HB 1 101 VAL QG 1.800 . 3.000 1.894 1.881 1.908 . 0 0 "[ . 1 .]" 1
209 1 102 TYR H 1 102 TYR HA 1.800 . 3.000 2.821 2.783 2.866 . 0 0 "[ . 1 .]" 1
210 1 102 TYR HA 1 102 TYR HB3 1.800 . 3.000 2.968 2.724 3.045 0.045 7 0 "[ . 1 .]" 1
211 1 102 TYR HA 1 102 TYR HD1 1.800 . 4.000 2.937 1.866 4.174 0.174 12 0 "[ . 1 .]" 1
212 1 103 ASP H 1 103 ASP HA 1.800 . 3.000 2.892 2.836 2.943 . 0 0 "[ . 1 .]" 1
213 1 104 LEU H 1 104 LEU HA 1.800 . 3.000 2.910 2.839 2.961 . 0 0 "[ . 1 .]" 1
214 1 104 LEU H 1 104 LEU QB 1.800 . 3.000 2.302 1.863 2.549 . 0 0 "[ . 1 .]" 1
215 1 104 LEU H 1 104 LEU HG 1.800 . 3.500 2.419 1.884 3.561 0.061 9 0 "[ . 1 .]" 1
216 1 104 LEU H 1 104 LEU QD 1.800 . 5.000 3.076 2.850 3.299 . 0 0 "[ . 1 .]" 1
217 1 105 LEU H 1 105 LEU HA 1.800 . 3.000 2.843 2.779 2.963 . 0 0 "[ . 1 .]" 1
218 1 105 LEU H 1 105 LEU QD 1.800 . 5.000 2.759 2.341 3.063 . 0 0 "[ . 1 .]" 1
219 1 105 LEU HA 1 105 LEU HB3 1.800 . 3.000 2.554 2.438 2.838 . 0 0 "[ . 1 .]" 1
220 1 105 LEU HA 1 105 LEU HB2 1.800 . 3.000 3.015 2.903 3.040 0.040 12 0 "[ . 1 .]" 1
221 1 105 LEU HA 1 105 LEU MD2 1.800 . 3.500 2.353 1.834 2.901 . 0 0 "[ . 1 .]" 1
222 1 105 LEU HA 1 105 LEU QD 1.800 . 5.000 2.232 1.754 2.764 0.046 6 0 "[ . 1 .]" 1
223 1 106 ILE H 1 106 ILE HA 1.800 . 3.000 2.953 2.881 2.984 . 0 0 "[ . 1 .]" 1
224 1 106 ILE H 1 106 ILE HB 1.800 . 3.300 2.103 1.941 2.513 . 0 0 "[ . 1 .]" 1
225 1 106 ILE H 1 106 ILE MG 1.800 . 4.000 3.278 2.096 3.523 . 0 0 "[ . 1 .]" 1
226 1 106 ILE HA 1 106 ILE MG 1.800 . 3.300 2.783 2.588 3.130 . 0 0 "[ . 1 .]" 1
227 1 106 ILE HA 1 106 ILE HB 1.800 . 2.700 2.893 2.566 2.964 0.264 6 0 "[ . 1 .]" 1
228 1 107 ASN H 1 107 ASN HA 1.800 . 3.000 2.976 2.945 3.000 . 11 0 "[ . 1 .]" 1
229 1 107 ASN H 1 107 ASN QB 1.800 . 3.000 2.513 2.187 2.976 . 0 0 "[ . 1 .]" 1
230 1 107 ASN QB 1 107 ASN QD 1.800 . 3.000 2.224 2.160 2.428 . 0 0 "[ . 1 .]" 1
231 1 108 VAL H 1 108 VAL HA 1.800 . 3.000 2.884 2.829 3.004 0.004 6 0 "[ . 1 .]" 1
232 1 108 VAL H 1 108 VAL QG 1.800 . 5.000 2.313 2.105 2.530 . 0 0 "[ . 1 .]" 1
233 1 108 VAL HA 1 108 VAL QG 1.800 . 5.000 2.152 2.055 2.263 . 0 0 "[ . 1 .]" 1
234 1 109 SER H 1 109 SER HB3 1.800 . 3.000 3.013 2.664 3.187 0.187 4 0 "[ . 1 .]" 1
235 1 109 SER H 1 109 SER QB 1.800 . 3.000 2.326 1.999 2.872 . 0 0 "[ . 1 .]" 1
236 1 111 THR H 1 111 THR HA 1.800 . 3.000 2.912 2.834 2.988 . 0 0 "[ . 1 .]" 1
237 1 111 THR H 1 111 THR HG1 1.800 . 3.000 2.021 1.759 2.505 0.041 11 0 "[ . 1 .]" 1
238 1 111 THR HA 1 111 THR MG 1.800 . 3.500 2.740 2.079 3.168 . 0 0 "[ . 1 .]" 1
239 1 112 VAL H 1 112 VAL HB 1.800 . 4.000 3.092 2.080 3.869 . 0 0 "[ . 1 .]" 1
240 1 114 ARG H 1 114 ARG HA 1.800 . 2.500 2.735 2.342 2.933 0.433 11 0 "[ . 1 .]" 1
241 1 114 ARG H 1 114 ARG QB 1.800 . 2.500 2.515 2.231 2.700 0.200 8 0 "[ . 1 .]" 1
242 1 114 ARG HA 1 114 ARG QB 1.800 . 2.500 2.389 2.248 2.517 0.017 12 0 "[ . 1 .]" 1
243 1 114 ARG QB 1 114 ARG QD 1.800 . 3.000 2.117 1.942 2.327 . 0 0 "[ . 1 .]" 1
244 1 115 ALA H 1 115 ALA HA 1.800 . 3.000 2.944 2.905 3.001 0.001 10 0 "[ . 1 .]" 1
245 1 115 ALA H 1 115 ALA MB 1.800 . 3.500 2.556 2.055 2.762 . 0 0 "[ . 1 .]" 1
246 1 116 TYR H 1 116 TYR HA 1.800 . 3.000 2.907 2.887 2.937 . 0 0 "[ . 1 .]" 1
247 1 116 TYR H 1 116 TYR QB 1.800 . 3.000 2.066 1.944 2.176 . 0 0 "[ . 1 .]" 1
248 1 117 THR H 1 117 THR HA 1.800 . 3.000 2.926 2.907 2.961 . 0 0 "[ . 1 .]" 1
249 1 117 THR H 1 117 THR HB 1.800 . 3.000 2.479 2.169 2.774 . 0 0 "[ . 1 .]" 1
250 1 117 THR HA 1 117 THR HB 1.800 . 3.000 2.871 2.419 3.028 0.028 14 0 "[ . 1 .]" 1
251 1 117 THR HA 1 117 THR MG 1.800 . 3.500 2.524 2.109 3.155 . 0 0 "[ . 1 .]" 1
252 1 118 LEU H 1 118 LEU HA 1.800 . 3.000 2.972 2.924 2.995 . 0 0 "[ . 1 .]" 1
253 1 118 LEU H 1 118 LEU QB 1.800 . 3.500 2.344 2.044 2.725 . 0 0 "[ . 1 .]" 1
254 1 118 LEU QB 1 118 LEU HG 1.800 . 2.700 2.463 2.198 2.543 . 0 0 "[ . 1 .]" 1
255 1 121 LYS H 1 121 LYS HA 1.800 . 3.000 2.999 2.955 3.015 0.015 7 0 "[ . 1 .]" 1
256 1 121 LYS HA 1 121 LYS QB 1.800 . 2.500 2.333 2.183 2.528 0.028 9 0 "[ . 1 .]" 1
257 1 123 THR H 1 123 THR HB 1.800 . 3.000 2.648 2.411 3.036 0.036 12 0 "[ . 1 .]" 1
258 1 123 THR H 1 123 THR HA 1.800 . 2.500 2.916 2.894 2.925 0.425 8 0 "[ . 1 .]" 1
259 1 123 THR H 1 123 THR MG 1.800 . 4.000 3.136 2.320 3.455 . 0 0 "[ . 1 .]" 1
260 1 123 THR HA 1 123 THR HB 1.800 . 3.000 2.833 2.527 2.951 . 0 0 "[ . 1 .]" 1
261 1 123 THR HA 1 123 THR MG 1.800 . 4.000 2.922 2.766 3.177 . 0 0 "[ . 1 .]" 1
262 1 124 ILE HA 1 124 ILE MG 1.800 . 5.000 2.394 2.137 2.561 . 0 0 "[ . 1 .]" 1
263 1 124 ILE HA 1 124 ILE QG 1.800 . 5.000 2.445 2.118 3.408 . 0 0 "[ . 1 .]" 1
264 1 124 ILE H 1 124 ILE MG 1.800 . 5.000 3.692 2.957 3.938 . 0 0 "[ . 1 .]" 1
265 1 124 ILE HA 1 124 ILE MD 1.800 . 5.000 3.033 2.473 3.585 . 0 0 "[ . 1 .]" 1
266 1 125 THR H 1 125 THR HA 1.800 . 3.000 2.971 2.946 3.003 0.003 10 0 "[ . 1 .]" 1
267 1 125 THR H 1 125 THR HB 1.800 . 4.000 3.251 2.942 3.410 . 0 0 "[ . 1 .]" 1
268 1 125 THR H 1 125 THR MG 1.800 . 3.000 2.146 1.850 2.377 . 0 0 "[ . 1 .]" 1
269 1 125 THR HA 1 125 THR HB 1.800 . 3.000 2.468 2.400 2.565 . 0 0 "[ . 1 .]" 1
270 1 125 THR HA 1 125 THR MG 1.800 . 4.000 3.185 3.169 3.193 . 0 0 "[ . 1 .]" 1
271 1 126 SER H 1 126 SER QB 1.800 . 3.000 2.380 1.992 2.806 . 0 0 "[ . 1 .]" 1
272 1 127 GLU H 1 127 GLU HA 1.800 . 3.000 2.889 2.729 2.988 . 0 0 "[ . 1 .]" 1
273 1 127 GLU H 1 127 GLU QB 1.800 . 3.000 2.325 2.066 2.539 . 0 0 "[ . 1 .]" 1
274 1 127 GLU H 1 127 GLU QG 1.800 . 3.000 2.334 1.850 2.773 . 0 0 "[ . 1 .]" 1
275 1 127 GLU HA 1 127 GLU QG 1.800 . 3.000 2.332 1.988 2.554 . 0 0 "[ . 1 .]" 1
276 1 128 LEU H 1 128 LEU HA 1.800 . 2.500 2.728 2.664 2.790 0.290 6 0 "[ . 1 .]" 1
277 1 128 LEU H 1 128 LEU QB 1.800 . 3.000 2.322 2.017 2.707 . 0 0 "[ . 1 .]" 1
278 1 128 LEU H 1 128 LEU HG 1.800 . 3.000 2.460 1.809 2.901 . 0 0 "[ . 1 .]" 1
279 1 43 MET H 1 44 LYS H 1.800 . 5.000 4.113 2.421 4.682 . 0 0 "[ . 1 .]" 1
280 1 46 ASP H 1 47 GLU H 1.800 . 5.000 3.361 2.640 4.134 . 0 0 "[ . 1 .]" 1
281 1 47 GLU H 1 48 ILE H 1.800 . 3.000 2.894 2.361 3.072 0.072 15 0 "[ . 1 .]" 1
282 1 48 ILE H 1 49 ASP H 1.800 . 3.000 3.054 2.818 3.152 0.152 12 0 "[ . 1 .]" 1
283 1 49 ASP H 1 50 ALA H 1.800 . 3.000 2.866 2.740 2.928 . 0 0 "[ . 1 .]" 1
284 1 50 ALA H 1 51 ILE H 1.800 . 3.000 2.680 2.629 2.727 . 0 0 "[ . 1 .]" 1
285 1 51 ILE H 1 52 ILE H 1.800 . 3.000 2.725 2.654 2.781 . 0 0 "[ . 1 .]" 1
286 1 52 ILE H 1 53 GLU H 1.800 . 3.000 2.778 2.728 2.837 . 0 0 "[ . 1 .]" 1
287 1 53 GLU H 1 54 ASP H 1.800 . 3.000 2.926 2.875 3.002 0.002 10 0 "[ . 1 .]" 1
288 1 54 ASP H 1 55 ILE H 1.800 . 3.000 2.490 2.429 2.558 . 0 0 "[ . 1 .]" 1
289 1 55 ILE H 1 56 VAL H 1.800 . 3.000 2.085 2.046 2.127 . 0 0 "[ . 1 .]" 1
290 1 56 VAL H 1 57 LEU H 1.800 . 3.000 2.267 2.165 2.296 . 0 0 "[ . 1 .]" 1
291 1 57 LEU H 1 58 LYS H 1.800 . 3.000 2.748 2.542 3.076 0.076 1 0 "[ . 1 .]" 1
292 1 58 LYS H 1 59 GLY H 1.800 . 3.000 2.327 2.135 2.524 . 0 0 "[ . 1 .]" 1
293 1 60 GLY H 1 61 LYS H 1.800 . 3.500 2.820 2.623 3.033 . 0 0 "[ . 1 .]" 1
294 1 61 LYS H 1 62 ALA H 1.800 . 3.500 2.749 2.166 3.085 . 0 0 "[ . 1 .]" 1
295 1 62 ALA H 1 63 LYS H 1.800 . 2.900 2.982 2.954 3.020 0.120 12 0 "[ . 1 .]" 1
296 1 63 LYS H 1 64 ASN H 1.800 . 3.000 2.069 1.912 2.427 . 0 0 "[ . 1 .]" 1
297 1 66 SER H 1 67 ILE H 1.800 . 3.500 3.604 3.571 3.626 0.126 4 0 "[ . 1 .]" 1
298 1 67 ILE H 1 68 VAL H 1.800 . 5.000 4.525 4.470 4.580 . 0 0 "[ . 1 .]" 1
299 1 68 VAL H 1 69 VAL H 1.800 . 5.000 4.548 4.382 4.631 . 0 0 "[ . 1 .]" 1
300 1 74 GLY H 1 75 PHE H 1.800 . 5.000 2.560 2.011 3.174 . 0 0 "[ . 1 .]" 1
301 1 87 ASP H 1 88 ALA H 1.800 . 5.000 4.408 4.295 4.474 . 0 0 "[ . 1 .]" 1
302 1 88 ALA H 1 89 ALA H 1.800 . 3.000 1.834 1.752 2.120 0.048 10 0 "[ . 1 .]" 1
303 1 89 ALA H 1 90 GLU H 1.800 . 3.000 3.023 2.964 3.053 0.053 13 0 "[ . 1 .]" 1
304 1 90 GLU H 1 91 ALA H 1.800 . 3.000 2.836 2.576 3.021 0.021 3 0 "[ . 1 .]" 1
305 1 91 ALA H 1 92 GLY H 1.800 . 3.000 2.722 2.482 2.997 . 0 0 "[ . 1 .]" 1
306 1 92 GLY H 1 93 GLU H 1.800 . 3.500 2.723 2.452 2.965 . 0 0 "[ . 1 .]" 1
307 1 93 GLU H 1 94 LEU H 1.800 . 3.000 2.631 2.389 2.904 . 0 0 "[ . 1 .]" 1
308 1 94 LEU H 1 95 LEU H 1.800 . 3.000 2.772 2.417 3.023 0.023 8 0 "[ . 1 .]" 1
309 1 95 LEU H 1 96 GLY H 1.800 . 3.000 2.320 2.056 2.689 . 0 0 "[ . 1 .]" 1
310 1 99 PHE H 1 100 SER H 1.800 . 4.000 3.193 2.781 4.242 0.242 5 0 "[ . 1 .]" 1
311 1 101 VAL H 1 102 TYR H 1.800 . 3.000 2.706 2.443 3.012 0.012 5 0 "[ . 1 .]" 1
312 1 102 TYR H 1 103 ASP H 1.800 . 3.000 2.711 2.525 2.816 . 0 0 "[ . 1 .]" 1
313 1 103 ASP H 1 104 LEU H 1.800 . 3.000 2.612 2.293 2.875 . 0 0 "[ . 1 .]" 1
314 1 104 LEU H 1 105 LEU H 1.800 . 3.000 2.577 2.378 2.818 . 0 0 "[ . 1 .]" 1
315 1 105 LEU H 1 106 ILE H 1.800 . 3.000 2.715 2.349 2.966 . 0 0 "[ . 1 .]" 1
316 1 109 SER H 1 110 SER H 1.800 . 3.000 3.028 2.864 3.200 0.200 4 0 "[ . 1 .]" 1
317 1 111 THR H 1 112 VAL H 1.800 . 3.000 2.984 2.704 3.151 0.151 6 0 "[ . 1 .]" 1
318 1 112 VAL H 1 114 ARG H 1.800 . 5.000 4.931 4.101 5.193 0.193 14 0 "[ . 1 .]" 1
319 1 120 THR H 1 121 LYS H 1.800 . 3.500 2.070 1.955 2.317 . 0 0 "[ . 1 .]" 1
320 1 121 LYS H 1 122 PHE H 1.800 . 5.000 4.430 4.300 4.612 . 0 0 "[ . 1 .]" 1
321 1 126 SER H 1 127 GLU H 1.800 . 3.500 2.792 2.185 3.590 0.090 11 0 "[ . 1 .]" 1
322 1 58 LYS H 1 60 GLY H 1.800 . 4.000 3.850 3.450 4.057 0.057 6 0 "[ . 1 .]" 1
323 1 89 ALA H 1 91 ALA H 1.800 . 5.000 4.478 4.197 4.865 . 0 0 "[ . 1 .]" 1
324 1 90 GLU H 1 92 GLY H 1.800 . 5.000 4.064 3.866 4.397 . 0 0 "[ . 1 .]" 1
325 1 91 ALA H 1 93 GLU H 1.800 . 5.000 4.415 3.665 4.699 . 0 0 "[ . 1 .]" 1
326 1 92 GLY H 1 94 LEU H 1.800 . 5.000 3.759 3.599 4.029 . 0 0 "[ . 1 .]" 1
327 1 93 GLU H 1 95 LEU H 1.800 . 5.000 4.817 4.440 5.048 0.048 5 0 "[ . 1 .]" 1
328 1 94 LEU H 1 96 GLY H 1.800 . 5.000 3.692 3.285 4.257 . 0 0 "[ . 1 .]" 1
329 1 103 ASP H 1 105 LEU H 1.800 . 5.000 3.997 3.749 4.198 . 0 0 "[ . 1 .]" 1
330 1 102 TYR H 1 104 LEU H 1.800 . 5.000 4.204 3.953 4.335 . 0 0 "[ . 1 .]" 1
331 1 104 LEU H 1 106 ILE H 1.800 . 5.000 4.036 3.799 4.426 . 0 0 "[ . 1 .]" 1
332 1 36 ASN HA 1 37 ALA H 1.800 . 3.500 3.422 2.224 3.567 0.067 1 0 "[ . 1 .]" 1
333 1 37 ALA HA 1 38 VAL H 1.800 . 2.700 2.255 2.205 2.387 . 0 0 "[ . 1 .]" 1
334 1 39 VAL HA 1 40 LEU H 1.800 . 2.700 2.235 2.200 2.434 . 0 0 "[ . 1 .]" 1
335 1 40 LEU HA 1 41 VAL H 1.800 . 2.700 2.345 2.225 2.518 . 0 0 "[ . 1 .]" 1
336 1 41 VAL HA 1 42 LEU H 1.800 . 2.700 2.198 2.152 2.261 . 0 0 "[ . 1 .]" 1
337 1 42 LEU HA 1 43 MET H 1.800 . 2.700 2.645 2.380 2.755 0.055 13 0 "[ . 1 .]" 1
338 1 43 MET HA 1 44 LYS H 1.800 . 2.900 2.559 2.314 3.061 0.161 1 0 "[ . 1 .]" 1
339 1 44 LYS HA 1 45 SER H 1.800 . 4.000 2.627 2.193 3.534 . 0 0 "[ . 1 .]" 1
340 1 45 SER HA 1 46 ASP H 1.800 . 4.000 3.098 2.180 3.532 . 0 0 "[ . 1 .]" 1
341 1 47 GLU HA 1 48 ILE H 1.800 . 3.500 3.137 2.911 3.524 0.024 10 0 "[ . 1 .]" 1
342 1 48 ILE HA 1 49 ASP H 1.800 . 3.500 3.531 3.481 3.561 0.061 1 0 "[ . 1 .]" 1
343 1 50 ALA HA 1 51 ILE H 1.800 . 3.500 3.620 3.611 3.650 0.150 10 0 "[ . 1 .]" 1
344 1 52 ILE HA 1 53 GLU H 1.800 . 3.500 3.537 3.525 3.548 0.048 4 0 "[ . 1 .]" 1
345 1 53 GLU HA 1 54 ASP H 1.800 . 3.500 3.592 3.584 3.601 0.101 1 0 "[ . 1 .]" 1
346 1 54 ASP HA 1 55 ILE H 1.800 . 3.500 3.387 3.363 3.480 . 0 0 "[ . 1 .]" 1
347 1 57 LEU HA 1 58 LYS H 1.800 . 3.500 3.528 3.506 3.543 0.043 3 0 "[ . 1 .]" 1
348 1 59 GLY QA 1 60 GLY H 1.800 . 3.500 2.680 2.623 2.756 . 0 0 "[ . 1 .]" 1
349 1 60 GLY QA 1 61 LYS H 1.800 . 3.500 2.674 2.423 2.945 . 0 0 "[ . 1 .]" 1
350 1 61 LYS HA 1 62 ALA H 1.800 . 3.500 3.340 3.248 3.432 . 0 0 "[ . 1 .]" 1
351 1 63 LYS HA 1 64 ASN H 1.800 . 3.500 3.430 3.391 3.496 . 0 0 "[ . 1 .]" 1
352 1 66 SER HA 1 67 ILE H 1.800 . 3.500 2.012 1.999 2.019 . 0 0 "[ . 1 .]" 1
353 1 67 ILE HA 1 68 VAL H 1.800 . 3.500 2.293 2.231 2.433 . 0 0 "[ . 1 .]" 1
354 1 68 VAL HA 1 69 VAL H 1.800 . 2.700 2.274 2.204 2.441 . 0 0 "[ . 1 .]" 1
355 1 69 VAL HA 1 70 GLU H 1.800 . 2.700 2.298 2.175 2.658 . 0 0 "[ . 1 .]" 1
356 1 71 ASP HA 1 72 LYS H 1.800 . 2.700 2.249 2.202 2.356 . 0 0 "[ . 1 .]" 1
357 1 72 LYS HA 1 73 ALA H 1.800 . 3.800 2.420 2.246 2.801 . 0 0 "[ . 1 .]" 1
358 1 74 GLY QA 1 75 PHE H 1.800 . 2.700 2.656 2.487 2.855 0.155 1 0 "[ . 1 .]" 1
359 1 75 PHE HA 1 76 TRP H 1.800 . 2.700 2.328 2.197 2.511 . 0 0 "[ . 1 .]" 1
360 1 76 TRP HA 1 77 TRP H 1.800 . 2.700 2.432 2.337 2.480 . 0 0 "[ . 1 .]" 1
361 1 77 TRP HA 1 78 ILE H 1.800 . 2.700 2.246 2.198 2.352 . 0 0 "[ . 1 .]" 1
362 1 78 ILE HA 1 79 LYS H 1.800 . 2.700 2.266 2.176 2.400 . 0 0 "[ . 1 .]" 1
363 1 79 LYS HA 1 80 ALA H 1.800 . 2.700 2.249 2.176 2.399 . 0 0 "[ . 1 .]" 1
364 1 80 ALA HA 1 81 ASP H 1.800 . 2.700 2.346 2.239 2.589 . 0 0 "[ . 1 .]" 1
365 1 81 ASP HA 1 82 GLY H 1.800 . 2.700 2.736 2.670 2.782 0.082 7 0 "[ . 1 .]" 1
366 1 82 GLY QA 1 83 ALA H 1.800 . 2.700 2.217 2.150 2.329 . 0 0 "[ . 1 .]" 1
367 1 83 ALA HA 1 84 ILE H 1.800 . 2.700 2.320 2.211 2.470 . 0 0 "[ . 1 .]" 1
368 1 84 ILE HA 1 85 GLU H 1.800 . 2.700 2.391 2.213 2.572 . 0 0 "[ . 1 .]" 1
369 1 85 GLU HA 1 86 ILE H 1.800 . 2.700 2.387 2.190 2.566 . 0 0 "[ . 1 .]" 1
370 1 86 ILE HA 1 87 ASP H 1.800 . 2.700 2.411 2.213 2.665 . 0 0 "[ . 1 .]" 1
371 1 87 ASP HA 1 88 ALA H 1.800 . 3.500 2.435 2.229 2.605 . 0 0 "[ . 1 .]" 1
372 1 88 ALA HA 1 89 ALA H 1.800 . 3.500 3.507 3.400 3.549 0.049 11 0 "[ . 1 .]" 1
373 1 89 ALA HA 1 90 GLU H 1.800 . 3.500 3.565 3.555 3.586 0.086 11 0 "[ . 1 .]" 1
374 1 90 GLU HA 1 91 ALA H 1.800 . 3.500 3.552 3.517 3.571 0.071 7 0 "[ . 1 .]" 1
375 1 93 GLU HA 1 94 LEU H 1.800 . 3.500 3.469 3.423 3.527 0.027 8 0 "[ . 1 .]" 1
376 1 95 LEU HA 1 96 GLY H 1.800 . 3.500 3.523 3.478 3.568 0.068 8 0 "[ . 1 .]" 1
377 1 96 GLY QA 1 97 LYS H 1.800 . 4.000 2.533 2.212 2.877 . 0 0 "[ . 1 .]" 1
378 1 97 LYS HA 1 98 PRO HD3 1.800 . 5.000 3.684 2.880 4.036 . 0 0 "[ . 1 .]" 1
379 1 97 LYS HA 1 98 PRO QD 1.800 . 4.000 3.314 2.629 3.563 . 0 0 "[ . 1 .]" 1
380 1 98 PRO HA 1 99 PHE H 1.800 . 3.500 3.370 3.177 3.513 0.013 4 0 "[ . 1 .]" 1
381 1 99 PHE HA 1 100 SER H 1.800 . 3.500 3.469 2.873 3.576 0.076 1 0 "[ . 1 .]" 1
382 1 100 SER HA 1 101 VAL H 1.800 . 3.500 3.535 3.496 3.565 0.065 15 0 "[ . 1 .]" 1
383 1 105 LEU HA 1 106 ILE H 1.800 . 4.000 3.501 3.444 3.577 . 0 0 "[ . 1 .]" 1
384 1 107 ASN HA 1 108 VAL H 1.800 . 5.000 3.443 3.137 3.587 . 0 0 "[ . 1 .]" 1
385 1 108 VAL HA 1 109 SER H 1.800 . 3.500 3.376 3.315 3.434 . 0 0 "[ . 1 .]" 1
386 1 111 THR HA 1 112 VAL H 1.800 . 4.000 3.179 2.746 3.582 . 0 0 "[ . 1 .]" 1
387 1 113 GLY QA 1 114 ARG H 1.800 . 4.000 2.542 2.359 2.947 . 0 0 "[ . 1 .]" 1
388 1 114 ARG HA 1 115 ALA H 1.800 . 3.500 2.481 2.274 2.749 . 0 0 "[ . 1 .]" 1
389 1 115 ALA HA 1 116 TYR H 1.800 . 2.700 2.389 2.204 2.573 . 0 0 "[ . 1 .]" 1
390 1 116 TYR HA 1 117 THR H 1.800 . 2.700 2.244 2.209 2.341 . 0 0 "[ . 1 .]" 1
391 1 117 THR HA 1 118 LEU H 1.800 . 2.700 2.292 2.196 2.568 . 0 0 "[ . 1 .]" 1
392 1 119 GLY QA 1 120 THR H 1.800 . 2.700 2.482 2.455 2.513 . 0 0 "[ . 1 .]" 1
393 1 121 LYS HA 1 122 PHE H 1.800 . 2.700 2.561 2.306 2.745 0.045 4 0 "[ . 1 .]" 1
394 1 122 PHE HA 1 123 THR H 1.800 . 2.700 2.454 2.348 2.656 . 0 0 "[ . 1 .]" 1
395 1 123 THR HA 1 124 ILE H 1.800 . 2.700 2.266 2.198 2.457 . 0 0 "[ . 1 .]" 1
396 1 124 ILE HA 1 125 THR H 1.800 . 2.700 2.335 2.220 2.539 . 0 0 "[ . 1 .]" 1
397 1 125 THR HA 1 126 SER H 1.800 . 2.700 2.554 2.235 2.752 0.052 12 0 "[ . 1 .]" 1
398 1 126 SER HA 1 127 GLU H 1.800 . 3.500 3.524 3.413 3.569 0.069 10 0 "[ . 1 .]" 1
399 1 127 GLU HA 1 128 LEU H 1.800 . 3.500 2.461 2.204 3.040 . 0 0 "[ . 1 .]" 1
400 1 36 ASN QB 1 37 ALA H 1.800 . 5.000 2.491 1.794 3.595 0.006 9 0 "[ . 1 .]" 1
401 1 37 ALA MB 1 38 VAL H 1.800 . 5.000 3.131 2.723 3.512 . 0 0 "[ . 1 .]" 1
402 1 42 LEU QB 1 43 MET H 1.800 . 5.000 2.396 1.907 3.183 . 0 0 "[ . 1 .]" 1
403 1 43 MET QB 1 44 LYS H 1.800 . 5.000 3.071 2.330 4.046 . 0 0 "[ . 1 .]" 1
404 1 45 SER QB 1 46 ASP H 1.800 . 5.000 3.009 1.869 4.058 . 0 0 "[ . 1 .]" 1
405 1 46 ASP QB 1 47 GLU H 1.800 . 3.500 1.987 1.783 2.243 0.017 10 0 "[ . 1 .]" 1
406 1 48 ILE HB 1 49 ASP H 1.800 . 3.500 2.567 2.081 2.874 . 0 0 "[ . 1 .]" 1
407 1 49 ASP QB 1 50 ALA H 1.800 . 3.500 2.709 2.522 3.228 . 0 0 "[ . 1 .]" 1
408 1 50 ALA MB 1 51 ILE H 1.800 . 3.500 2.344 2.122 2.560 . 0 0 "[ . 1 .]" 1
409 1 51 ILE HB 1 52 ILE H 1.800 . 3.500 3.479 3.379 3.609 0.109 10 0 "[ . 1 .]" 1
410 1 52 ILE HB 1 53 GLU H 1.800 . 3.500 2.411 2.195 2.485 . 0 0 "[ . 1 .]" 1
411 1 53 GLU QB 1 54 ASP H 1.800 . 3.500 2.105 1.861 2.211 . 0 0 "[ . 1 .]" 1
412 1 55 ILE HB 1 56 VAL H 1.800 . 3.500 3.484 2.631 3.568 0.068 4 0 "[ . 1 .]" 1
413 1 54 ASP QB 1 55 ILE H 1.800 . 3.500 3.068 2.946 3.166 . 0 0 "[ . 1 .]" 1
414 1 56 VAL HB 1 57 LEU H 1.800 . 5.000 2.755 2.512 2.860 . 0 0 "[ . 1 .]" 1
415 1 58 LYS QB 1 59 GLY H 1.800 . 2.700 2.469 2.287 2.574 . 0 0 "[ . 1 .]" 1
416 1 62 ALA MB 1 63 LYS H 1.800 . 2.700 1.966 1.846 2.178 . 0 0 "[ . 1 .]" 1
417 1 63 LYS QB 1 64 ASN H 1.800 . 3.500 3.081 2.664 3.443 . 0 0 "[ . 1 .]" 1
418 1 67 ILE HB 1 68 VAL H 1.800 . 5.000 4.274 4.017 4.418 . 0 0 "[ . 1 .]" 1
419 1 69 VAL HB 1 70 GLU H 1.800 . 5.000 4.367 3.218 4.521 . 0 0 "[ . 1 .]" 1
420 1 70 GLU QB 1 71 ASP H 1.800 . 5.000 3.576 2.998 3.954 . 0 0 "[ . 1 .]" 1
421 1 71 ASP QB 1 72 LYS H 1.800 . 5.000 3.684 3.339 3.994 . 0 0 "[ . 1 .]" 1
422 1 73 ALA MB 1 74 GLY H 1.800 . 5.000 3.315 1.832 3.725 . 0 0 "[ . 1 .]" 1
423 1 75 PHE QB 1 76 TRP H 1.800 . 5.000 3.328 2.280 3.918 . 0 0 "[ . 1 .]" 1
424 1 77 TRP QB 1 78 ILE H 1.800 . 5.000 3.220 2.584 3.612 . 0 0 "[ . 1 .]" 1
425 1 79 LYS QB 1 80 ALA H 1.800 . 5.000 3.441 3.031 3.849 . 0 0 "[ . 1 .]" 1
426 1 81 ASP QB 1 82 GLY H 1.800 . 5.000 3.904 3.837 4.059 . 0 0 "[ . 1 .]" 1
427 1 84 ILE HB 1 85 GLU H 1.800 . 5.000 4.061 3.783 4.426 . 0 0 "[ . 1 .]" 1
428 1 85 GLU QB 1 86 ILE H 1.800 . 5.000 2.801 2.279 3.393 . 0 0 "[ . 1 .]" 1
429 1 87 ASP QB 1 88 ALA H 1.800 . 5.000 2.475 1.982 3.063 . 0 0 "[ . 1 .]" 1
430 1 88 ALA MB 1 89 ALA H 1.800 . 4.000 2.760 2.388 3.141 . 0 0 "[ . 1 .]" 1
431 1 89 ALA MB 1 90 GLU H 1.800 . 4.000 2.356 2.150 2.572 . 0 0 "[ . 1 .]" 1
432 1 90 GLU QG 1 91 ALA H 1.800 . 4.000 3.403 1.890 3.650 . 0 0 "[ . 1 .]" 1
433 1 91 ALA MB 1 92 GLY H 1.800 . 3.500 2.568 2.158 2.806 . 0 0 "[ . 1 .]" 1
434 1 93 GLU QB 1 94 LEU H 1.800 . 4.000 3.227 2.631 3.675 . 0 0 "[ . 1 .]" 1
435 1 94 LEU QB 1 95 LEU H 1.800 . 4.000 2.061 1.816 2.622 . 0 0 "[ . 1 .]" 1
436 1 95 LEU QB 1 96 GLY H 1.800 . 4.000 3.055 2.049 3.554 . 0 0 "[ . 1 .]" 1
437 1 97 LYS QB 1 98 PRO QD 1.800 . 5.000 1.675 1.540 1.772 0.260 5 0 "[ . 1 .]" 1
438 1 100 SER QB 1 101 VAL H 1.800 . 4.000 2.286 1.879 2.932 . 0 0 "[ . 1 .]" 1
439 1 104 LEU QB 1 105 LEU H 1.800 . 4.000 3.417 3.037 3.615 . 0 0 "[ . 1 .]" 1
440 1 105 LEU QB 1 106 ILE H 1.800 . 4.000 2.821 2.326 3.047 . 0 0 "[ . 1 .]" 1
441 1 114 ARG QB 1 115 ALA H 1.800 . 5.000 3.290 2.698 4.024 . 0 0 "[ . 1 .]" 1
442 1 115 ALA MB 1 116 TYR H 1.800 . 5.000 3.620 3.265 3.737 . 0 0 "[ . 1 .]" 1
443 1 117 THR HB 1 118 LEU H 1.800 . 5.000 3.986 3.195 4.433 . 0 0 "[ . 1 .]" 1
444 1 121 LYS QB 1 122 PHE H 1.800 . 5.000 2.528 2.015 3.616 . 0 0 "[ . 1 .]" 1
445 1 122 PHE QB 1 123 THR H 1.800 . 5.000 2.957 2.160 3.682 . 0 0 "[ . 1 .]" 1
446 1 123 THR HB 1 124 ILE H 1.800 . 5.000 4.463 4.086 4.675 . 0 0 "[ . 1 .]" 1
447 1 126 SER QB 1 127 GLU H 1.800 . 3.000 2.356 1.977 2.696 . 0 0 "[ . 1 .]" 1
448 1 38 VAL QG 1 39 VAL H 1.800 . 4.000 2.585 1.948 3.178 . 0 0 "[ . 1 .]" 1
449 1 39 VAL QG 1 40 LEU H 1.800 . 4.000 2.374 1.798 2.770 0.002 8 0 "[ . 1 .]" 1
450 1 40 LEU QD 1 41 VAL H 1.800 . 4.000 2.135 1.783 2.618 0.017 4 0 "[ . 1 .]" 1
451 1 41 VAL QG 1 42 LEU H 1.800 . 4.000 2.712 2.231 2.895 . 0 0 "[ . 1 .]" 1
452 1 42 LEU QD 1 43 MET H 1.800 . 4.000 2.261 1.830 2.716 . 0 0 "[ . 1 .]" 1
453 1 43 MET QG 1 44 LYS H 1.800 . 4.000 3.414 3.117 3.648 . 0 0 "[ . 1 .]" 1
454 1 48 ILE MG 1 49 ASP H 1.800 . 5.000 3.831 3.607 3.925 . 0 0 "[ . 1 .]" 1
455 1 48 ILE QG 1 49 ASP H 1.800 . 5.000 2.143 1.821 4.041 . 0 0 "[ . 1 .]" 1
456 1 52 ILE MG 1 53 GLU H 1.800 . 5.000 3.387 3.285 3.464 . 0 0 "[ . 1 .]" 1
457 1 53 GLU QG 1 54 ASP H 1.800 . 5.000 3.107 2.546 3.796 . 0 0 "[ . 1 .]" 1
458 1 55 ILE MG 1 56 VAL H 1.800 . 5.000 1.932 1.768 3.798 0.032 3 0 "[ . 1 .]" 1
459 1 56 VAL QG 1 57 LEU H 1.800 . 4.000 2.824 2.705 3.221 . 0 0 "[ . 1 .]" 1
460 1 57 LEU QD 1 58 LYS H 1.800 . 4.000 2.388 2.057 3.224 . 0 0 "[ . 1 .]" 1
461 1 63 LYS QG 1 64 ASN H 1.800 . 4.000 2.835 1.770 3.548 0.030 2 0 "[ . 1 .]" 1
462 1 63 LYS QE 1 64 ASN H 1.800 . 4.000 3.505 3.115 3.847 . 0 0 "[ . 1 .]" 1
463 1 67 ILE MD 1 68 VAL H 1.800 . 5.000 4.035 3.977 4.093 . 0 0 "[ . 1 .]" 1
464 1 69 VAL QG 1 70 GLU H 1.800 . 5.000 3.140 1.789 3.525 0.011 13 0 "[ . 1 .]" 1
465 1 78 ILE MG 1 79 LYS H 1.800 . 3.500 2.386 2.037 2.715 . 0 0 "[ . 1 .]" 1
466 1 78 ILE QG 1 79 LYS H 1.800 . 5.000 4.012 3.693 4.605 . 0 0 "[ . 1 .]" 1
467 1 79 LYS QG 1 80 ALA H 1.800 . 5.000 3.075 2.464 4.585 . 0 0 "[ . 1 .]" 1
468 1 84 ILE MG 1 85 GLU H 1.800 . 5.000 3.586 3.326 4.127 . 0 0 "[ . 1 .]" 1
469 1 84 ILE MD 1 85 GLU H 1.800 . 5.000 2.900 2.660 3.484 . 0 0 "[ . 1 .]" 1
470 1 86 ILE MG 1 87 ASP H 1.800 . 5.000 2.540 1.785 3.555 0.015 5 0 "[ . 1 .]" 1
471 1 86 ILE MD 1 87 ASP H 1.800 . 5.000 2.338 1.782 3.915 0.018 3 0 "[ . 1 .]" 1
472 1 94 LEU QD 1 95 LEU H 1.800 . 5.000 2.523 1.838 3.058 . 0 0 "[ . 1 .]" 1
473 1 95 LEU HG 1 96 GLY H 1.800 . 4.000 3.102 1.789 3.926 0.011 12 0 "[ . 1 .]" 1
474 1 95 LEU QD 1 96 GLY H 1.800 . 4.000 2.203 1.635 3.177 0.165 13 0 "[ . 1 .]" 1
475 1 98 PRO QB 1 99 PHE H 1.800 . 4.000 3.581 3.362 3.770 . 0 0 "[ . 1 .]" 1
476 1 98 PRO QG 1 99 PHE H 1.800 . 4.000 3.043 2.611 3.563 . 0 0 "[ . 1 .]" 1
477 1 101 VAL QG 1 102 TYR H 1.800 . 5.000 2.881 1.864 3.280 . 0 0 "[ . 1 .]" 1
478 1 112 VAL HB 1 113 GLY H 1.800 . 5.000 3.095 1.834 4.126 . 0 0 "[ . 1 .]" 1
479 1 112 VAL QG 1 113 GLY H 1.800 . 5.000 2.384 1.765 3.705 0.035 15 0 "[ . 1 .]" 1
480 1 117 THR MG 1 118 LEU H 1.800 . 5.000 2.701 1.782 4.009 0.018 10 0 "[ . 1 .]" 1
481 1 121 LYS QG 1 122 PHE H 1.800 . 5.000 3.199 1.838 4.326 . 0 0 "[ . 1 .]" 1
482 1 123 THR MG 1 124 ILE H 1.800 . 5.000 3.161 2.339 3.679 . 0 0 "[ . 1 .]" 1
483 1 124 ILE MG 1 125 THR H 1.800 . 5.000 2.335 1.809 3.746 . 0 0 "[ . 1 .]" 1
484 1 36 ASN QB 1 37 ALA MB 1.800 . 6.000 3.857 3.286 4.526 . 0 0 "[ . 1 .]" 1
485 1 42 LEU HA 1 43 MET QB 1.800 . 6.000 4.245 4.147 4.428 . 0 0 "[ . 1 .]" 1
486 1 52 ILE MG 1 53 GLU HA 1.800 . 5.000 3.521 3.417 3.624 . 0 0 "[ . 1 .]" 1
487 1 55 ILE QG 1 56 VAL QG 1.800 . 6.000 3.388 3.316 3.478 . 0 0 "[ . 1 .]" 1
488 1 55 ILE MG 1 56 VAL HA 1.800 . 5.000 3.318 3.251 3.933 . 0 0 "[ . 1 .]" 1
489 1 66 SER HA 1 67 ILE HB 1.800 . 3.500 3.846 3.816 3.881 0.381 5 0 "[ . 1 .]" 1
490 1 66 SER HA 1 67 ILE MD 1.800 . 3.500 2.805 2.763 2.862 . 0 0 "[ . 1 .]" 1
491 1 66 SER QB 1 67 ILE MD 1.800 . 5.000 3.719 3.636 3.828 . 0 0 "[ . 1 .]" 1
492 1 84 ILE MD 1 85 GLU HA 1.800 . 6.000 5.048 4.954 5.163 . 0 0 "[ . 1 .]" 1
493 1 87 ASP QB 1 88 ALA HA 1.800 . 4.000 3.874 3.781 3.942 . 0 0 "[ . 1 .]" 1
494 1 87 ASP HA 1 88 ALA MB 1.800 . 5.000 3.760 3.636 3.869 . 0 0 "[ . 1 .]" 1
495 1 88 ALA MB 1 89 ALA HA 1.800 . 5.000 3.850 3.636 4.104 . 0 0 "[ . 1 .]" 1
496 1 102 TYR H 1 103 ASP QB 1.800 . 6.000 4.381 4.079 4.526 . 0 0 "[ . 1 .]" 1
497 1 103 ASP H 1 104 LEU QD 1.800 . 6.000 4.543 4.304 4.617 . 0 0 "[ . 1 .]" 1
498 1 104 LEU HG 1 105 LEU QD 1.800 . 5.000 3.021 2.351 3.612 . 0 0 "[ . 1 .]" 1
499 1 104 LEU QD 1 105 LEU QD 1.800 . 5.000 2.132 1.759 2.405 0.041 7 0 "[ . 1 .]" 1
500 1 105 LEU QB 1 106 ILE HA 1.800 . 5.000 4.044 3.761 4.247 . 0 0 "[ . 1 .]" 1
501 1 105 LEU QB 1 106 ILE HB 1.800 . 5.000 3.904 3.585 4.145 . 0 0 "[ . 1 .]" 1
502 1 106 ILE MG 1 107 ASN H 1.800 . 5.000 2.729 1.845 3.225 . 0 0 "[ . 1 .]" 1
503 1 108 VAL QG 1 109 SER H 1.800 . 5.000 2.526 2.041 3.438 . 0 0 "[ . 1 .]" 1
504 1 93 GLU H 1 97 LYS H 1.800 . 6.000 5.681 4.763 6.325 0.325 1 0 "[ . 1 .]" 1
505 1 58 LYS H 1 61 LYS H 1.800 . 5.000 4.552 4.185 5.026 0.026 10 0 "[ . 1 .]" 1
506 1 93 GLU H 1 96 GLY H 1.800 . 5.000 4.620 4.285 4.898 . 0 0 "[ . 1 .]" 1
507 1 92 GLY H 1 95 LEU H 1.800 . 5.000 4.937 4.733 5.088 0.088 8 0 "[ . 1 .]" 1
508 1 100 SER H 1 103 ASP H 1.800 . 5.000 4.557 3.977 4.757 . 0 0 "[ . 1 .]" 1
509 1 104 LEU H 1 107 ASN H 1.800 . 5.000 4.644 4.179 5.014 0.014 10 0 "[ . 1 .]" 1
510 1 106 ILE H 1 109 SER H 1.800 . 5.000 5.265 5.185 5.353 0.353 12 0 "[ . 1 .]" 1
511 1 87 ASP HA 1 89 ALA H 1.800 . 5.000 4.121 3.887 4.477 . 0 0 "[ . 1 .]" 1
512 1 95 LEU HA 1 97 LYS H 1.800 . 6.000 5.596 4.709 6.144 0.144 12 0 "[ . 1 .]" 1
513 1 97 LYS H 1 99 PHE HA 1.800 . 6.000 4.794 4.229 5.578 . 0 0 "[ . 1 .]" 1
514 1 102 TYR HA 1 104 LEU H 1.800 . 5.000 4.526 4.101 4.914 . 0 0 "[ . 1 .]" 1
515 1 109 SER HA 1 111 THR H 1.800 . 3.000 3.313 3.220 3.411 0.411 4 0 "[ . 1 .]" 1
516 1 118 LEU HA 1 120 THR H 1.800 . 4.000 4.301 4.265 4.361 0.361 13 0 "[ . 1 .]" 1
517 1 47 GLU HA 1 50 ALA H 1.800 . 4.000 3.521 3.415 3.908 . 0 0 "[ . 1 .]" 1
518 1 50 ALA HA 1 53 GLU H 1.800 . 4.000 3.823 3.579 3.936 . 0 0 "[ . 1 .]" 1
519 1 48 ILE HA 1 51 ILE H 1.800 . 4.000 3.093 2.630 3.250 . 0 0 "[ . 1 .]" 1
520 1 49 ASP HA 1 52 ILE H 1.800 . 4.000 4.098 4.026 4.136 0.136 2 0 "[ . 1 .]" 1
521 1 51 ILE HA 1 54 ASP H 1.800 . 4.000 3.193 3.143 3.250 . 0 0 "[ . 1 .]" 1
522 1 52 ILE HA 1 55 ILE H 1.800 . 4.000 3.660 3.605 3.737 . 0 0 "[ . 1 .]" 1
523 1 88 ALA HA 1 91 ALA H 1.800 . 4.000 3.296 3.030 3.505 . 0 0 "[ . 1 .]" 1
524 1 90 GLU HA 1 93 GLU H 1.800 . 4.000 3.573 3.221 4.021 0.021 8 0 "[ . 1 .]" 1
525 1 91 ALA HA 1 94 LEU H 1.800 . 4.000 3.462 2.970 3.807 . 0 0 "[ . 1 .]" 1
526 1 101 VAL HA 1 104 LEU H 1.800 . 4.000 2.969 2.776 3.290 . 0 0 "[ . 1 .]" 1
527 1 99 PHE HA 1 102 TYR H 1.800 . 5.000 4.163 3.855 5.013 0.013 11 0 "[ . 1 .]" 1
528 1 102 TYR HA 1 105 LEU H 1.800 . 4.000 3.558 3.235 3.788 . 0 0 "[ . 1 .]" 1
529 1 105 LEU HA 1 108 VAL H 1.800 . 4.000 4.028 3.894 4.143 0.143 7 0 "[ . 1 .]" 1
530 1 103 ASP HA 1 106 ILE H 1.800 . 4.000 3.670 3.228 4.037 0.037 7 0 "[ . 1 .]" 1
531 1 104 LEU HA 1 107 ASN H 1.800 . 4.000 3.098 2.517 3.648 . 0 0 "[ . 1 .]" 1
532 1 111 THR HA 1 114 ARG H 1.800 . 5.000 4.463 3.768 5.053 0.053 8 0 "[ . 1 .]" 1
533 1 52 ILE HA 1 56 VAL H 1.800 . 4.000 2.730 2.670 2.804 . 0 0 "[ . 1 .]" 1
534 1 53 GLU HA 1 57 LEU H 1.800 . 4.000 2.654 2.486 2.748 . 0 0 "[ . 1 .]" 1
535 1 50 ALA HA 1 54 ASP H 1.800 . 4.000 4.132 4.066 4.180 0.180 4 0 "[ . 1 .]" 1
536 1 56 VAL HA 1 60 GLY H 1.800 . 4.000 2.062 1.794 2.844 0.006 3 0 "[ . 1 .]" 1
537 1 91 ALA HA 1 95 LEU H 1.800 . 4.000 4.062 3.887 4.190 0.190 3 0 "[ . 1 .]" 1
538 1 99 PHE HA 1 103 ASP H 1.800 . 5.000 3.193 2.928 3.596 . 0 0 "[ . 1 .]" 1
539 1 103 ASP HA 1 107 ASN H 1.800 . 5.000 4.129 3.516 4.587 . 0 0 "[ . 1 .]" 1
540 1 47 GLU HA 1 51 ILE MD 1.800 . 6.000 3.728 3.470 3.838 . 0 0 "[ . 1 .]" 1
541 1 48 ILE HA 1 51 ILE HB 1.800 . 4.000 4.169 4.112 4.229 0.229 12 0 "[ . 1 .]" 1
542 1 48 ILE HA 1 51 ILE MD 1.800 . 5.000 1.723 1.661 1.767 0.139 10 0 "[ . 1 .]" 1
543 1 50 ALA HA 1 53 GLU QB 1.800 . 4.000 2.718 2.610 2.819 . 0 0 "[ . 1 .]" 1
544 1 49 ASP HA 1 52 ILE HB 1.800 . 4.000 2.708 2.531 2.921 . 0 0 "[ . 1 .]" 1
545 1 51 ILE HA 1 55 ILE HB 1.800 . 4.000 2.805 2.685 4.073 0.073 8 0 "[ . 1 .]" 1
546 1 51 ILE HA 1 55 ILE QG 1.800 . 5.000 4.328 2.094 4.510 . 0 0 "[ . 1 .]" 1
547 1 52 ILE HA 1 56 VAL HB 1.800 . 4.000 1.880 1.838 2.215 . 0 0 "[ . 1 .]" 1
548 1 88 ALA HA 1 91 ALA MB 1.800 . 4.000 2.681 2.174 3.088 . 0 0 "[ . 1 .]" 1
549 1 90 GLU HA 1 93 GLU QB 1.800 . 4.000 3.367 2.897 3.626 . 0 0 "[ . 1 .]" 1
550 1 90 GLU HA 1 93 GLU QG 1.800 . 5.000 2.068 1.785 3.842 0.015 12 0 "[ . 1 .]" 1
551 1 91 ALA HA 1 94 LEU QB 1.800 . 4.000 2.411 1.948 2.799 . 0 0 "[ . 1 .]" 1
552 1 98 PRO HA 1 101 VAL HB 1.800 . 4.000 4.170 3.992 4.303 0.303 2 0 "[ . 1 .]" 1
553 1 105 LEU HA 1 108 VAL HB 1.800 . 4.000 3.856 2.886 4.060 0.060 6 0 "[ . 1 .]" 1
554 1 105 LEU HA 1 108 VAL QG 1.800 . 4.000 2.218 1.977 3.150 . 0 0 "[ . 1 .]" 1
555 1 51 ILE HA 1 55 ILE MD 1.800 . 5.000 3.911 3.267 4.049 . 0 0 "[ . 1 .]" 1
556 1 47 GLU HA 1 51 ILE MG 1.800 . 5.000 3.931 3.807 4.021 . 0 0 "[ . 1 .]" 1
557 1 52 ILE HA 1 56 VAL MG1 1.800 . 4.000 3.456 3.425 3.490 . 0 0 "[ . 1 .]" 1
558 1 53 GLU HA 1 57 LEU QB 1.800 . 5.000 1.741 1.566 1.806 0.234 8 0 "[ . 1 .]" 1
559 1 53 GLU HA 1 57 LEU QD 1.800 . 4.000 2.810 2.532 3.094 . 0 0 "[ . 1 .]" 1
560 1 91 ALA HA 1 95 LEU HG 1.800 . 5.000 4.377 3.553 4.844 . 0 0 "[ . 1 .]" 1
561 1 48 ILE HB 1 51 ILE H 1.800 . 5.000 5.154 5.094 5.218 0.218 14 0 "[ . 1 .]" 1
562 1 51 ILE HB 1 54 ASP H 1.800 . 5.000 5.288 5.257 5.326 0.326 6 0 "[ . 1 .]" 1
563 1 52 ILE HB 1 55 ILE H 1.800 . 5.000 5.241 5.209 5.262 0.262 2 0 "[ . 1 .]" 1
564 1 87 ASP QB 1 90 GLU H 1.800 . 5.000 3.794 3.303 4.265 . 0 0 "[ . 1 .]" 1
565 1 88 ALA MB 1 90 GLU H 1.800 . 6.000 4.664 4.451 4.816 . 0 0 "[ . 1 .]" 1
566 1 88 ALA MB 1 91 ALA H 1.800 . 6.000 4.342 4.054 4.592 . 0 0 "[ . 1 .]" 1
567 1 88 ALA MB 1 92 GLY H 1.800 . 6.000 4.304 3.367 4.848 . 0 0 "[ . 1 .]" 1
568 1 95 LEU QB 1 97 LYS H 1.800 . 6.000 4.032 2.301 5.161 . 0 0 "[ . 1 .]" 1
569 1 99 PHE QB 1 102 TYR H 1.800 . 6.000 5.460 5.364 5.567 . 0 0 "[ . 1 .]" 1
570 1 99 PHE QB 1 103 ASP H 1.800 . 5.500 4.706 4.455 4.967 . 0 0 "[ . 1 .]" 1
571 1 39 VAL QG 1 41 VAL QG 1.800 . 5.000 2.054 1.905 2.214 . 0 0 "[ . 1 .]" 1
572 1 47 GLU QB 1 51 ILE MD 1.800 . 5.000 2.086 1.739 2.460 0.061 3 0 "[ . 1 .]" 1
573 1 47 GLU QG 1 51 ILE MD 1.800 . 5.000 3.558 3.397 3.639 . 0 0 "[ . 1 .]" 1
574 1 48 ILE MD 1 51 ILE MD 1.800 . 5.000 2.992 2.044 3.541 . 0 0 "[ . 1 .]" 1
575 1 48 ILE MG 1 52 ILE MD 1.800 . 5.000 2.691 1.760 3.127 0.040 10 0 "[ . 1 .]" 1
576 1 48 ILE HB 1 52 ILE MG 1.800 . 6.000 4.639 4.295 5.052 . 0 0 "[ . 1 .]" 1
577 1 52 ILE MD 1 55 ILE QG 1.800 . 6.000 4.389 4.322 4.494 . 0 0 "[ . 1 .]" 1
578 1 52 ILE MD 1 56 VAL HB 1.800 . 4.000 2.781 2.527 3.182 . 0 0 "[ . 1 .]" 1
579 1 52 ILE MD 1 56 VAL QG 1.800 . 5.000 2.023 1.857 2.330 . 0 0 "[ . 1 .]" 1
580 1 52 ILE HB 1 56 VAL HB 1.800 . 4.000 3.953 3.883 4.045 0.045 14 0 "[ . 1 .]" 1
581 1 52 ILE MG 1 56 VAL HB 1.800 . 4.000 1.879 1.801 1.996 . 0 0 "[ . 1 .]" 1
582 1 53 GLU QB 1 56 VAL HB 1.800 . 6.000 5.514 5.475 5.557 . 0 0 "[ . 1 .]" 1
583 1 52 ILE MG 1 57 LEU H 1.800 . 4.000 3.231 3.030 3.365 . 0 0 "[ . 1 .]" 1
584 1 56 VAL QG 1 60 GLY H 1.800 . 4.000 3.053 2.820 3.217 . 0 0 "[ . 1 .]" 1
585 1 62 ALA H 1 64 ASN QB 1.800 . 4.000 3.360 3.282 3.523 . 0 0 "[ . 1 .]" 1
586 1 61 LYS H 1 64 ASN QB 1.800 . 4.000 3.585 3.286 3.702 . 0 0 "[ . 1 .]" 1
587 1 64 ASN QB 1 67 ILE MD 1.800 . 3.500 1.830 1.713 2.054 0.087 13 0 "[ . 1 .]" 1
588 1 68 VAL QG 1 69 VAL H 1.800 . 5.000 2.555 2.233 3.011 . 0 0 "[ . 1 .]" 1
589 1 68 VAL QG 1 70 GLU QG 1.800 . 5.000 2.276 1.759 2.928 0.041 3 0 "[ . 1 .]" 1
590 1 68 VAL QG 1 70 GLU QB 1.800 . 6.000 3.695 3.139 3.974 . 0 0 "[ . 1 .]" 1
591 1 75 PHE H 1 77 TRP HE1 1.800 . 6.000 5.977 5.735 6.119 0.119 5 0 "[ . 1 .]" 1
592 1 75 PHE QB 1 77 TRP HE1 1.800 . 5.000 2.909 2.255 3.967 . 0 0 "[ . 1 .]" 1
593 1 76 TRP HA 1 78 ILE QG 1.800 . 6.000 5.146 4.470 5.446 . 0 0 "[ . 1 .]" 1
594 1 76 TRP HE1 1 78 ILE H 1.800 . 6.000 5.681 4.962 6.157 0.157 13 0 "[ . 1 .]" 1
595 1 76 TRP QB 1 78 ILE MD 1.800 . 6.000 4.219 3.956 4.419 . 0 0 "[ . 1 .]" 1
596 1 78 ILE HA 1 79 LYS QB 1.800 . 5.000 3.965 3.747 4.660 . 0 0 "[ . 1 .]" 1
597 1 40 LEU QB 1 84 ILE MD 1.800 . 5.000 2.480 1.625 3.237 0.175 3 0 "[ . 1 .]" 1
598 1 78 ILE HB 1 84 ILE MD 1.800 . 6.000 4.288 3.167 4.895 . 0 0 "[ . 1 .]" 1
599 1 80 ALA HA 1 84 ILE MD 1.800 . 6.000 4.882 4.672 5.016 . 0 0 "[ . 1 .]" 1
600 1 87 ASP HB3 1 90 GLU H 1.800 . 5.000 4.024 3.371 4.540 . 0 0 "[ . 1 .]" 1
601 1 88 ALA MB 1 91 ALA MB 1.800 . 5.000 3.218 2.835 3.568 . 0 0 "[ . 1 .]" 1
602 1 90 GLU H 1 93 GLU QG 1.800 . 5.000 4.092 3.961 4.356 . 0 0 "[ . 1 .]" 1
603 1 90 GLU H 1 91 ALA MB 1.800 . 6.000 4.271 4.049 4.445 . 0 0 "[ . 1 .]" 1
604 1 91 ALA H 1 94 LEU QB 1.800 . 6.000 4.547 4.163 4.882 . 0 0 "[ . 1 .]" 1
605 1 91 ALA MB 1 95 LEU QD 1.800 . 6.000 2.737 2.424 3.057 . 0 0 "[ . 1 .]" 1
606 1 94 LEU H 1 96 GLY QA 1.800 . 6.000 4.995 4.428 5.476 . 0 0 "[ . 1 .]" 1
607 1 95 LEU QD 1 99 PHE QB 1.800 . 5.000 1.752 1.581 1.933 0.219 12 0 "[ . 1 .]" 1
608 1 93 GLU QG 1 96 GLY H 1.800 . 6.000 5.405 5.194 5.518 . 0 0 "[ . 1 .]" 1
609 1 94 LEU QD 1 96 GLY H 1.800 . 6.000 4.269 3.982 4.623 . 0 0 "[ . 1 .]" 1
610 1 96 GLY H 1 99 PHE HA 1.800 . 6.000 5.928 4.497 6.464 0.464 8 0 "[ . 1 .]" 1
611 1 95 LEU QD 1 97 LYS H 1.800 . 5.000 2.801 2.166 3.311 . 0 0 "[ . 1 .]" 1
612 1 100 SER H 1 103 ASP QB 1.800 . 5.500 4.144 2.510 4.681 . 0 0 "[ . 1 .]" 1
613 1 102 TYR HA 1 105 LEU QD 1.800 . 4.000 2.147 1.871 2.637 . 0 0 "[ . 1 .]" 1
614 1 101 VAL QG 1 104 LEU H 1.800 . 5.000 3.894 3.795 4.087 . 0 0 "[ . 1 .]" 1
615 1 104 LEU HA 1 107 ASN QD 1.800 . 4.000 2.008 1.826 2.587 . 0 0 "[ . 1 .]" 1
616 1 104 LEU QB 1 107 ASN QD 1.800 . 4.000 3.120 2.922 3.315 . 0 0 "[ . 1 .]" 1
617 1 109 SER QB 1 111 THR H 1.800 . 6.000 4.394 4.314 4.463 . 0 0 "[ . 1 .]" 1
618 1 122 PHE H 1 124 ILE MD 1.800 . 6.000 4.952 4.672 5.127 . 0 0 "[ . 1 .]" 1
619 1 122 PHE QD 1 124 ILE MD 1.800 . 6.000 2.190 1.715 2.852 0.085 5 0 "[ . 1 .]" 1
620 1 122 PHE QE 1 124 ILE MD 1.800 . 6.000 3.221 1.783 4.222 0.017 15 0 "[ . 1 .]" 1
621 1 64 ASN HA 1 65 PRO QD 1.800 . 3.300 1.822 1.793 1.889 0.007 6 0 "[ . 1 .]" 1
622 1 64 ASN HA 1 65 PRO QG 1.800 . 4.000 3.705 3.681 3.754 . 0 0 "[ . 1 .]" 1
623 1 97 LYS HA 1 98 PRO QG 1.800 . 6.500 5.117 4.513 5.339 . 0 0 "[ . 1 .]" 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 105
_Distance_constraint_stats_list.Viol_count 306
_Distance_constraint_stats_list.Viol_total 434.742
_Distance_constraint_stats_list.Viol_max 0.396
_Distance_constraint_stats_list.Viol_rms 0.0518
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0184
_Distance_constraint_stats_list.Viol_average_violations_only 0.0947
_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 36 ASN 0.141 0.071 6 0 "[ . 1 .]"
1 37 ALA 0.038 0.038 9 0 "[ . 1 .]"
1 38 VAL 0.079 0.065 3 0 "[ . 1 .]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 40 LEU 3.763 0.396 2 0 "[ . 1 .]"
1 41 VAL 1.694 0.236 5 0 "[ . 1 .]"
1 42 LEU 4.103 0.304 10 0 "[ . 1 .]"
1 43 MET 1.048 0.159 11 0 "[ . 1 .]"
1 44 LYS 0.517 0.166 3 0 "[ . 1 .]"
1 45 SER 0.936 0.243 4 0 "[ . 1 .]"
1 48 ILE 0.235 0.101 10 0 "[ . 1 .]"
1 49 ASP 2.732 0.332 12 0 "[ . 1 .]"
1 51 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 52 ILE 4.957 0.358 3 0 "[ . 1 .]"
1 68 VAL 1.023 0.155 11 0 "[ . 1 .]"
1 69 VAL 4.591 0.358 3 0 "[ . 1 .]"
1 70 GLU 1.486 0.289 2 0 "[ . 1 .]"
1 71 ASP 0.162 0.068 2 0 "[ . 1 .]"
1 72 LYS 0.937 0.125 1 0 "[ . 1 .]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 75 PHE 2.012 0.166 3 0 "[ . 1 .]"
1 76 TRP 6.841 0.332 12 0 "[ . 1 .]"
1 77 TRP 3.989 0.289 2 0 "[ . 1 .]"
1 78 ILE 1.525 0.184 2 0 "[ . 1 .]"
1 79 LYS 0.183 0.040 12 0 "[ . 1 .]"
1 80 ALA 1.023 0.155 11 0 "[ . 1 .]"
1 81 ASP 0.038 0.038 9 0 "[ . 1 .]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 84 ILE 0.073 0.038 3 0 "[ . 1 .]"
1 85 GLU 0.033 0.018 8 0 "[ . 1 .]"
1 86 ILE 0.331 0.098 4 0 "[ . 1 .]"
1 87 ASP 0.121 0.038 9 0 "[ . 1 .]"
1 88 ALA 1.586 0.168 10 0 "[ . 1 .]"
1 89 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 91 ALA 0.181 0.069 7 0 "[ . 1 .]"
1 99 PHE 0.181 0.069 7 0 "[ . 1 .]"
1 100 SER 1.221 0.168 10 0 "[ . 1 .]"
1 101 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 107 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 108 VAL 0.998 0.142 2 0 "[ . 1 .]"
1 109 SER 0.010 0.010 12 0 "[ . 1 .]"
1 110 SER 0.000 0.000 . 0 "[ . 1 .]"
1 111 THR 2.744 0.396 2 0 "[ . 1 .]"
1 113 GLY 0.453 0.073 6 0 "[ . 1 .]"
1 115 ALA 1.584 0.178 10 0 "[ . 1 .]"
1 116 TYR 0.146 0.036 15 0 "[ . 1 .]"
1 117 THR 0.483 0.098 10 0 "[ . 1 .]"
1 118 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 121 LYS 0.486 0.105 6 0 "[ . 1 .]"
1 122 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 123 THR 2.277 0.178 10 0 "[ . 1 .]"
1 124 ILE 0.300 0.070 9 0 "[ . 1 .]"
1 125 THR 0.482 0.073 6 0 "[ . 1 .]"
1 126 SER 0.220 0.071 6 0 "[ . 1 .]"
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 37 ALA HA 1 81 ASP HA 1.800 . 2.700 2.368 1.911 2.738 0.038 9 0 "[ . 1 .]" 2
2 1 39 VAL HA 1 79 LYS HA 1.800 . 2.700 1.910 1.803 2.128 . 0 0 "[ . 1 .]" 2
3 1 41 VAL HA 1 77 TRP HA 1.800 . 2.700 1.903 1.796 2.086 0.004 12 0 "[ . 1 .]" 2
4 1 42 LEU H 1 77 TRP HA 1.800 . 2.700 2.705 2.220 2.842 0.142 2 0 "[ . 1 .]" 2
5 1 43 MET HA 1 75 PHE HA 1.800 . 2.700 2.535 1.797 2.859 0.159 11 0 "[ . 1 .]" 2
6 1 44 LYS H 1 75 PHE HA 1.800 . 3.500 3.168 2.027 3.666 0.166 3 0 "[ . 1 .]" 2
7 1 68 VAL H 1 80 ALA HA 1.800 . 3.500 3.563 3.428 3.655 0.155 11 0 "[ . 1 .]" 2
8 1 69 VAL HA 1 78 ILE HA 1.800 . 2.700 2.388 2.155 2.656 . 0 0 "[ . 1 .]" 2
9 1 69 VAL HA 1 79 LYS H 1.800 . 3.500 3.471 3.320 3.540 0.040 12 0 "[ . 1 .]" 2
10 1 72 LYS H 1 75 PHE H 1.800 . 3.500 3.365 2.877 3.604 0.104 2 0 "[ . 1 .]" 2
11 1 72 LYS H 1 76 TRP HA 1.800 . 3.500 3.338 2.412 3.625 0.125 1 0 "[ . 1 .]" 2
12 1 71 ASP HA 1 76 TRP HA 1.800 . 2.700 2.598 2.113 2.768 0.068 2 0 "[ . 1 .]" 2
13 1 70 GLU QB 1 77 TRP H 1.800 . 3.500 2.917 2.700 3.151 . 0 0 "[ . 1 .]" 2
14 1 70 GLU QG 1 77 TRP QB 1.800 . 3.300 2.759 2.533 2.833 . 0 0 "[ . 1 .]" 2
15 1 70 GLU QB 1 77 TRP QB 1.800 . 3.300 1.709 1.511 1.865 0.289 2 0 "[ . 1 .]" 2
16 1 40 LEU H 1 78 ILE H 1.800 . 3.500 3.558 3.450 3.662 0.162 2 0 "[ . 1 .]" 2
17 1 41 VAL HA 1 78 ILE H 1.800 . 3.500 2.803 2.406 3.263 . 0 0 "[ . 1 .]" 2
18 1 68 VAL H 1 79 LYS H 1.800 . 3.500 3.148 2.945 3.405 . 0 0 "[ . 1 .]" 2
19 1 84 ILE H 1 125 THR HA 1.800 . 3.500 3.173 2.676 3.523 0.023 9 0 "[ . 1 .]" 2
20 1 85 GLU HA 1 123 THR HA 1.800 . 2.700 2.475 1.889 2.718 0.018 8 0 "[ . 1 .]" 2
21 1 86 ILE H 1 123 THR HA 1.800 . 3.500 3.194 2.450 3.598 0.098 4 0 "[ . 1 .]" 2
22 1 87 ASP HA 1 121 LYS HA 1.800 . 2.700 2.567 2.077 2.738 0.038 9 0 "[ . 1 .]" 2
23 1 88 ALA H 1 121 LYS HA 1.800 . 3.500 3.385 2.470 3.605 0.105 6 0 "[ . 1 .]" 2
24 1 115 ALA HA 1 124 ILE HA 1.800 . 2.700 2.405 1.907 2.770 0.070 9 0 "[ . 1 .]" 2
25 1 116 TYR H 1 123 THR H 1.800 . 3.500 3.174 2.807 3.506 0.006 2 0 "[ . 1 .]" 2
26 1 116 TYR H 1 124 ILE HA 1.800 . 3.500 3.435 3.236 3.536 0.036 15 0 "[ . 1 .]" 2
27 1 117 THR HA 1 122 PHE HA 1.800 . 2.700 2.152 1.883 2.575 . 0 0 "[ . 1 .]" 2
28 1 117 THR HA 1 123 THR H 1.800 . 3.500 3.514 3.413 3.598 0.098 10 0 "[ . 1 .]" 2
29 1 118 LEU H 1 121 LYS H 1.800 . 3.500 3.129 2.927 3.438 . 0 0 "[ . 1 .]" 2
30 1 115 ALA HA 1 123 THR H 1.800 . 3.500 3.592 3.440 3.678 0.178 10 0 "[ . 1 .]" 2
31 1 85 GLU HA 1 124 ILE H 1.800 . 3.500 2.920 1.867 3.513 0.013 7 0 "[ . 1 .]" 2
32 1 40 LEU QB 1 78 ILE HA 1.800 . 6.000 4.772 3.956 5.063 . 0 0 "[ . 1 .]" 2
33 1 40 LEU QB 1 78 ILE HB 1.800 . 5.000 2.864 2.008 3.448 . 0 0 "[ . 1 .]" 2
34 1 42 LEU H 1 76 TRP QB 1.800 . 5.000 3.504 2.998 4.157 . 0 0 "[ . 1 .]" 2
35 1 42 LEU QB 1 76 TRP QB 1.800 . 5.000 2.675 1.749 3.458 0.051 1 0 "[ . 1 .]" 2
36 1 43 MET QB 1 75 PHE HA 1.800 . 5.000 4.089 3.591 4.408 . 0 0 "[ . 1 .]" 2
37 1 68 VAL H 1 79 LYS QD 1.800 . 5.000 4.130 3.638 4.549 . 0 0 "[ . 1 .]" 2
38 1 70 GLU H 1 77 TRP QB 1.800 . 5.000 3.741 3.368 4.479 . 0 0 "[ . 1 .]" 2
39 1 42 LEU H 1 76 TRP HE1 1.800 . 6.000 6.148 6.042 6.304 0.304 10 0 "[ . 1 .]" 2
40 1 41 VAL HB 1 77 TRP HE1 1.800 . 5.000 5.112 5.031 5.236 0.236 5 0 "[ . 1 .]" 2
41 1 41 VAL QG 1 77 TRP HE1 1.800 . 5.000 2.217 2.107 2.408 . 0 0 "[ . 1 .]" 2
42 1 41 VAL QG 1 77 TRP QB 1.800 . 5.000 2.536 2.156 3.169 . 0 0 "[ . 1 .]" 2
43 1 40 LEU H 1 78 ILE MG 1.800 . 5.000 3.744 3.099 4.099 . 0 0 "[ . 1 .]" 2
44 1 39 VAL HA 1 79 LYS QG 1.800 . 6.000 3.950 3.102 4.544 . 0 0 "[ . 1 .]" 2
45 1 68 VAL HA 1 79 LYS QG 1.800 . 5.000 4.229 4.081 4.519 . 0 0 "[ . 1 .]" 2
46 1 83 ALA HA 1 125 THR HB 1.800 . 5.000 3.802 2.698 4.735 . 0 0 "[ . 1 .]" 2
47 1 85 GLU QB 1 123 THR HA 1.800 . 5.000 3.976 3.033 4.447 . 0 0 "[ . 1 .]" 2
48 1 86 ILE MD 1 122 PHE QE 1.800 . 6.000 3.588 2.200 4.728 . 0 0 "[ . 1 .]" 2
49 1 86 ILE MD 1 122 PHE QD 1.800 . 5.000 3.726 2.743 4.208 . 0 0 "[ . 1 .]" 2
50 1 87 ASP HA 1 121 LYS QB 1.800 . 5.000 3.528 1.800 4.539 . 0 0 "[ . 1 .]" 2
51 1 87 ASP HA 1 121 LYS QG 1.800 . 5.000 3.608 2.713 4.420 . 0 0 "[ . 1 .]" 2
52 1 115 ALA HA 1 124 ILE QG 1.800 . 5.000 2.573 1.844 4.587 . 0 0 "[ . 1 .]" 2
53 1 115 ALA HA 1 124 ILE MG 1.800 . 5.000 3.580 1.814 4.008 . 0 0 "[ . 1 .]" 2
54 1 115 ALA HA 1 124 ILE MD 1.800 . 5.000 2.968 1.754 3.983 0.046 2 0 "[ . 1 .]" 2
55 1 123 THR HG1 1 125 THR HB 1.800 . 5.000 3.588 2.787 3.877 . 0 0 "[ . 1 .]" 2
56 1 36 ASN HA 1 126 SER HA 1.800 . 5.000 4.704 4.112 5.071 0.071 6 0 "[ . 1 .]" 2
57 1 36 ASN HA 1 126 SER QB 1.800 . 5.000 3.164 2.468 4.139 . 0 0 "[ . 1 .]" 2
58 1 38 VAL QG 1 125 THR HA 1.800 . 5.000 2.960 2.224 3.702 . 0 0 "[ . 1 .]" 2
59 1 38 VAL QG 1 126 SER QB 1.800 . 5.000 2.411 1.735 3.119 0.065 3 0 "[ . 1 .]" 2
60 1 40 LEU HA 1 111 THR HA 1.800 . 5.000 5.183 5.048 5.396 0.396 2 0 "[ . 1 .]" 2
61 1 41 VAL HB 1 109 SER QB 1.800 . 5.000 3.759 2.905 4.176 . 0 0 "[ . 1 .]" 2
62 1 41 VAL QG 1 77 TRP HD1 1.800 . 5.000 2.738 2.478 2.964 . 0 0 "[ . 1 .]" 2
63 1 41 VAL QG 1 77 TRP HZ2 1.800 . 5.000 2.600 2.396 2.799 . 0 0 "[ . 1 .]" 2
64 1 41 VAL QG 1 77 TRP HH2 1.800 . 5.000 3.358 3.185 3.606 . 0 0 "[ . 1 .]" 2
65 1 41 VAL QG 1 109 SER QB 1.800 . 5.000 2.854 1.790 3.176 0.010 12 0 "[ . 1 .]" 2
66 1 42 LEU HA 1 108 VAL HA 1.800 . 5.000 5.067 5.013 5.142 0.142 2 0 "[ . 1 .]" 2
67 1 43 MET QB 1 107 ASN QB 1.800 . 5.000 3.019 2.110 3.429 . 0 0 "[ . 1 .]" 2
68 1 45 SER H 1 76 TRP HE1 1.800 . 6.000 6.006 5.620 6.243 0.243 4 0 "[ . 1 .]" 2
69 1 48 ILE H 1 76 TRP HE1 1.800 . 6.000 5.906 5.732 6.101 0.101 10 0 "[ . 1 .]" 2
70 1 48 ILE MG 1 76 TRP QB 1.800 . 5.000 2.769 2.572 3.849 . 0 0 "[ . 1 .]" 2
71 1 48 ILE MG 1 76 TRP HH2 1.800 . 5.000 3.821 3.377 4.010 . 0 0 "[ . 1 .]" 2
72 1 48 ILE MG 1 76 TRP HZ3 1.800 . 5.000 4.021 3.815 4.202 . 0 0 "[ . 1 .]" 2
73 1 48 ILE MD 1 76 TRP HD1 1.800 . 5.000 3.830 3.405 4.050 . 0 0 "[ . 1 .]" 2
74 1 48 ILE MD 1 76 TRP HE3 1.800 . 5.000 3.889 2.863 4.214 . 0 0 "[ . 1 .]" 2
75 1 48 ILE MD 1 76 TRP HZ2 1.800 . 6.000 4.681 4.318 4.764 . 0 0 "[ . 1 .]" 2
76 1 49 ASP H 1 76 TRP HE1 1.800 . 5.000 5.182 5.094 5.332 0.332 12 0 "[ . 1 .]" 2
77 1 51 ILE MD 1 76 TRP HD1 1.800 . 7.000 5.802 5.676 5.854 . 0 0 "[ . 1 .]" 2
78 1 51 ILE MD 1 76 TRP HE3 1.800 . 7.000 5.539 4.843 5.814 . 0 0 "[ . 1 .]" 2
79 1 52 ILE MD 1 76 TRP QB 1.800 . 7.000 5.237 5.136 5.329 . 0 0 "[ . 1 .]" 2
80 1 52 ILE MD 1 78 ILE HB 1.800 . 5.000 3.777 3.196 4.144 . 0 0 "[ . 1 .]" 2
81 1 52 ILE MD 1 78 ILE QG 1.800 . 5.000 2.450 1.616 3.263 0.184 2 0 "[ . 1 .]" 2
82 1 52 ILE MG 1 69 VAL QG 1.800 . 5.000 1.506 1.442 1.641 0.358 3 0 "[ . 1 .]" 2
83 1 52 ILE MD 1 69 VAL QG 1.800 . 5.000 2.970 2.822 3.097 . 0 0 "[ . 1 .]" 2
84 1 44 LYS QD 1 74 GLY QA 1.800 . 6.000 3.883 1.908 4.808 . 0 0 "[ . 1 .]" 2
85 1 52 ILE HB 1 76 TRP HE1 1.800 . 5.000 4.339 4.197 4.616 . 0 0 "[ . 1 .]" 2
86 1 52 ILE HB 1 78 ILE MD 1.800 . 5.000 4.021 3.888 4.213 . 0 0 "[ . 1 .]" 2
87 1 52 ILE MG 1 78 ILE MD 1.800 . 6.000 2.562 2.308 2.928 . 0 0 "[ . 1 .]" 2
88 1 52 ILE MD 1 78 ILE MD 1.800 . 5.000 2.090 1.710 2.932 0.090 11 0 "[ . 1 .]" 2
89 1 38 VAL QG 1 83 ALA HA 1.800 . 5.000 3.348 3.025 3.666 . 0 0 "[ . 1 .]" 2
90 1 40 LEU H 1 84 ILE MD 1.800 . 6.000 4.258 3.021 4.937 . 0 0 "[ . 1 .]" 2
91 1 40 LEU QD 1 84 ILE MD 1.800 . 6.000 2.094 1.762 2.746 0.038 3 0 "[ . 1 .]" 2
92 1 88 ALA MB 1 99 PHE QD 1.800 . 6.000 3.376 2.868 4.371 . 0 0 "[ . 1 .]" 2
93 1 88 ALA MB 1 99 PHE QE 1.800 . 6.000 3.256 3.014 4.229 . 0 0 "[ . 1 .]" 2
94 1 88 ALA MB 1 100 SER HA 1.800 . 5.000 1.719 1.632 1.800 0.168 10 0 "[ . 1 .]" 2
95 1 88 ALA MB 1 101 VAL H 1.800 . 5.000 3.715 3.352 3.985 . 0 0 "[ . 1 .]" 2
96 1 88 ALA MB 1 101 VAL HA 1.800 . 6.000 3.634 3.169 4.153 . 0 0 "[ . 1 .]" 2
97 1 88 ALA MB 1 101 VAL QG 1.800 . 6.000 3.539 3.320 3.763 . 0 0 "[ . 1 .]" 2
98 1 89 ALA MB 1 100 SER HA 1.800 . 6.000 5.121 5.040 5.279 . 0 0 "[ . 1 .]" 2
99 1 91 ALA MB 1 99 PHE QD 1.800 . 6.000 2.258 1.768 2.891 0.032 14 0 "[ . 1 .]" 2
100 1 91 ALA MB 1 99 PHE QE 1.800 . 6.000 2.880 1.731 4.510 0.069 7 0 "[ . 1 .]" 2
101 1 77 TRP HH2 1 109 SER QB 1.800 . 5.000 4.290 3.967 4.507 . 0 0 "[ . 1 .]" 2
102 1 77 TRP HZ2 1 109 SER QB 1.800 . 5.000 3.989 3.702 4.446 . 0 0 "[ . 1 .]" 2
103 1 41 VAL H 1 110 SER H 1.800 . 5.000 3.724 3.253 4.130 . 0 0 "[ . 1 .]" 2
104 1 113 GLY H 1 125 THR H 1.800 . 5.000 5.004 4.627 5.073 0.073 6 0 "[ . 1 .]" 2
105 1 83 ALA HA 1 126 SER H 1.800 . 5.000 3.801 3.070 4.545 . 0 0 "[ . 1 .]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 76
_Distance_constraint_stats_list.Viol_count 284
_Distance_constraint_stats_list.Viol_total 316.780
_Distance_constraint_stats_list.Viol_max 0.310
_Distance_constraint_stats_list.Viol_rms 0.0479
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0185
_Distance_constraint_stats_list.Viol_average_violations_only 0.0744
_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 38 VAL 0.159 0.038 12 0 "[ . 1 .]"
1 40 LEU 0.031 0.025 2 0 "[ . 1 .]"
1 42 LEU 0.022 0.014 11 0 "[ . 1 .]"
1 47 GLU 0.512 0.070 11 0 "[ . 1 .]"
1 48 ILE 0.137 0.038 4 0 "[ . 1 .]"
1 49 ASP 1.500 0.129 10 0 "[ . 1 .]"
1 50 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 51 ILE 3.430 0.163 4 0 "[ . 1 .]"
1 52 ILE 0.154 0.038 4 0 "[ . 1 .]"
1 53 GLU 5.218 0.310 8 0 "[ . 1 .]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 55 ILE 2.917 0.163 4 0 "[ . 1 .]"
1 56 VAL 0.017 0.017 8 0 "[ . 1 .]"
1 57 LEU 3.718 0.310 8 0 "[ . 1 .]"
1 68 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 70 GLU 0.215 0.042 11 0 "[ . 1 .]"
1 72 LYS 0.208 0.044 11 0 "[ . 1 .]"
1 75 PHE 0.208 0.044 11 0 "[ . 1 .]"
1 76 TRP 0.022 0.014 11 0 "[ . 1 .]"
1 77 TRP 0.215 0.042 11 0 "[ . 1 .]"
1 78 ILE 0.031 0.025 2 0 "[ . 1 .]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 80 ALA 0.159 0.038 12 0 "[ . 1 .]"
1 84 ILE 0.261 0.058 13 0 "[ . 1 .]"
1 86 ILE 1.118 0.133 4 0 "[ . 1 .]"
1 88 ALA 1.359 0.205 14 0 "[ . 1 .]"
1 89 ALA 0.217 0.121 11 0 "[ . 1 .]"
1 90 GLU 0.732 0.123 5 0 "[ . 1 .]"
1 91 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 92 GLY 1.404 0.205 14 0 "[ . 1 .]"
1 93 GLU 0.217 0.121 11 0 "[ . 1 .]"
1 94 LEU 0.732 0.123 5 0 "[ . 1 .]"
1 95 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 96 GLY 0.045 0.021 1 0 "[ . 1 .]"
1 99 PHE 0.255 0.082 5 0 "[ . 1 .]"
1 100 SER 1.935 0.204 1 0 "[ . 1 .]"
1 101 VAL 0.107 0.043 7 0 "[ . 1 .]"
1 102 TYR 3.426 0.297 14 0 "[ . 1 .]"
1 103 ASP 0.273 0.082 5 0 "[ . 1 .]"
1 104 LEU 2.516 0.204 1 0 "[ . 1 .]"
1 105 LEU 0.107 0.043 7 0 "[ . 1 .]"
1 106 ILE 3.426 0.297 14 0 "[ . 1 .]"
1 107 ASN 0.018 0.016 10 0 "[ . 1 .]"
1 108 VAL 0.581 0.091 15 0 "[ . 1 .]"
1 116 TYR 0.110 0.084 2 0 "[ . 1 .]"
1 118 LEU 1.518 0.129 12 0 "[ . 1 .]"
1 121 LYS 1.518 0.129 12 0 "[ . 1 .]"
1 122 PHE 1.118 0.133 4 0 "[ . 1 .]"
1 123 THR 0.110 0.084 2 0 "[ . 1 .]"
1 124 ILE 0.261 0.058 13 0 "[ . 1 .]"
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 70 GLU H 1 77 TRP O 1.800 . 2.300 1.792 1.534 2.201 . 0 0 "[ . 1 .]" 3
2 1 70 GLU N 1 77 TRP O 2.800 2.400 3.300 2.439 2.358 2.541 0.042 11 0 "[ . 1 .]" 3
3 1 70 GLU O 1 77 TRP H 1.800 . 2.300 2.189 2.003 2.341 0.041 2 0 "[ . 1 .]" 3
4 1 70 GLU O 1 77 TRP N 2.800 2.400 3.300 2.874 2.701 3.102 . 0 0 "[ . 1 .]" 3
5 1 72 LYS O 1 75 PHE H 1.800 . 2.300 2.120 1.635 2.344 0.044 11 0 "[ . 1 .]" 3
6 1 72 LYS O 1 75 PHE N 2.800 2.400 3.300 2.905 2.499 3.291 . 0 0 "[ . 1 .]" 3
7 1 72 LYS H 1 75 PHE O 1.800 . 2.300 2.112 1.717 2.338 0.038 2 0 "[ . 1 .]" 3
8 1 72 LYS N 1 75 PHE O 2.800 2.400 3.300 3.032 2.646 3.303 0.003 2 0 "[ . 1 .]" 3
9 1 42 LEU O 1 76 TRP H 1.800 . 2.300 2.094 1.764 2.314 0.014 11 0 "[ . 1 .]" 3
10 1 42 LEU O 1 76 TRP N 2.800 2.400 3.300 2.801 2.414 3.212 . 0 0 "[ . 1 .]" 3
11 1 42 LEU H 1 76 TRP O 1.800 . 2.300 1.945 1.524 2.229 . 0 0 "[ . 1 .]" 3
12 1 42 LEU N 1 76 TRP O 2.800 2.400 3.300 2.836 2.463 3.156 . 0 0 "[ . 1 .]" 3
13 1 40 LEU O 1 78 ILE H 1.800 . 2.300 1.867 1.583 2.280 . 0 0 "[ . 1 .]" 3
14 1 40 LEU O 1 78 ILE N 2.800 2.400 3.300 2.756 2.436 3.112 . 0 0 "[ . 1 .]" 3
15 1 40 LEU H 1 78 ILE O 1.800 . 2.300 1.666 1.554 1.899 . 0 0 "[ . 1 .]" 3
16 1 40 LEU N 1 78 ILE O 2.800 2.400 3.300 2.513 2.375 2.735 0.025 2 0 "[ . 1 .]" 3
17 1 38 VAL O 1 80 ALA H 1.800 . 2.300 2.096 1.625 2.321 0.021 5 0 "[ . 1 .]" 3
18 1 38 VAL O 1 80 ALA N 2.800 2.400 3.300 2.979 2.573 3.192 . 0 0 "[ . 1 .]" 3
19 1 38 VAL H 1 80 ALA O 1.800 . 2.300 2.212 1.915 2.338 0.038 12 0 "[ . 1 .]" 3
20 1 38 VAL N 1 80 ALA O 2.800 2.400 3.300 3.058 2.642 3.220 . 0 0 "[ . 1 .]" 3
21 1 68 VAL O 1 79 LYS H 1.800 . 2.300 1.838 1.558 2.291 . 0 0 "[ . 1 .]" 3
22 1 68 VAL O 1 79 LYS N 2.800 2.400 3.300 2.717 2.449 3.167 . 0 0 "[ . 1 .]" 3
23 1 68 VAL H 1 79 LYS O 1.800 . 2.300 1.963 1.696 2.293 . 0 0 "[ . 1 .]" 3
24 1 68 VAL N 1 79 LYS O 2.800 2.400 3.300 2.804 2.529 3.127 . 0 0 "[ . 1 .]" 3
25 1 84 ILE H 1 124 ILE O 1.800 . 2.300 2.170 1.907 2.355 0.055 11 0 "[ . 1 .]" 3
26 1 84 ILE N 1 124 ILE O 2.800 2.400 3.300 3.089 2.841 3.287 . 0 0 "[ . 1 .]" 3
27 1 86 ILE H 1 122 PHE O 1.800 . 2.300 2.329 2.121 2.433 0.133 4 0 "[ . 1 .]" 3
28 1 86 ILE N 1 122 PHE O 2.800 2.400 3.300 3.148 2.586 3.327 0.027 3 0 "[ . 1 .]" 3
29 1 86 ILE O 1 122 PHE H 1.800 . 2.300 2.176 1.624 2.375 0.075 15 0 "[ . 1 .]" 3
30 1 86 ILE O 1 122 PHE N 2.800 2.400 3.300 2.954 2.541 3.285 . 0 0 "[ . 1 .]" 3
31 1 84 ILE O 1 124 ILE H 1.800 . 2.300 2.153 1.665 2.358 0.058 13 0 "[ . 1 .]" 3
32 1 84 ILE O 1 124 ILE N 2.800 2.400 3.300 3.015 2.638 3.214 . 0 0 "[ . 1 .]" 3
33 1 118 LEU O 1 121 LYS H 1.800 . 2.300 2.378 2.325 2.429 0.129 12 0 "[ . 1 .]" 3
34 1 118 LEU O 1 121 LYS N 2.800 2.400 3.300 3.313 3.267 3.349 0.049 3 0 "[ . 1 .]" 3
35 1 118 LEU H 1 121 LYS O 1.800 . 2.300 1.834 1.564 2.116 . 0 0 "[ . 1 .]" 3
36 1 118 LEU N 1 121 LYS O 2.800 2.400 3.300 2.603 2.367 2.933 0.033 13 0 "[ . 1 .]" 3
37 1 116 TYR H 1 123 THR O 1.800 . 2.300 1.874 1.628 2.209 . 0 0 "[ . 1 .]" 3
38 1 116 TYR N 1 123 THR O 2.800 2.400 3.300 2.613 2.430 2.840 . 0 0 "[ . 1 .]" 3
39 1 116 TYR O 1 123 THR H 1.800 . 2.300 2.054 1.679 2.384 0.084 2 0 "[ . 1 .]" 3
40 1 116 TYR O 1 123 THR N 2.800 2.400 3.300 2.705 2.427 3.099 . 0 0 "[ . 1 .]" 3
41 1 47 GLU O 1 51 ILE H 1.800 . 2.300 1.534 1.430 1.968 0.070 11 0 "[ . 1 .]" 3
42 1 47 GLU O 1 51 ILE N 2.800 2.400 3.300 2.497 2.395 2.933 0.005 11 0 "[ . 1 .]" 3
43 1 48 ILE O 1 52 ILE H 1.800 . 2.300 1.587 1.513 1.738 . 0 0 "[ . 1 .]" 3
44 1 48 ILE O 1 52 ILE N 2.800 2.400 3.300 2.408 2.362 2.508 0.038 4 0 "[ . 1 .]" 3
45 1 49 ASP O 1 53 GLU H 1.800 . 2.300 2.400 2.370 2.429 0.129 10 0 "[ . 1 .]" 3
46 1 49 ASP O 1 53 GLU N 2.800 2.400 3.300 3.199 3.136 3.256 . 0 0 "[ . 1 .]" 3
47 1 50 ALA O 1 54 ASP H 1.800 . 2.300 1.985 1.901 2.027 . 0 0 "[ . 1 .]" 3
48 1 50 ALA O 1 54 ASP N 2.800 2.400 3.300 2.972 2.886 3.017 . 0 0 "[ . 1 .]" 3
49 1 51 ILE O 1 55 ILE H 1.800 . 2.300 1.435 1.398 1.468 0.102 4 0 "[ . 1 .]" 3
50 1 51 ILE O 1 55 ILE N 2.800 2.400 3.300 2.270 2.237 2.318 0.163 4 0 "[ . 1 .]" 3
51 1 52 ILE O 1 56 VAL H 1.800 . 2.300 1.648 1.610 1.676 . 0 0 "[ . 1 .]" 3
52 1 52 ILE O 1 56 VAL N 2.800 2.400 3.300 2.413 2.383 2.434 0.017 8 0 "[ . 1 .]" 3
53 1 53 GLU O 1 57 LEU H 1.800 . 2.300 2.548 2.500 2.610 0.310 8 0 "[ . 1 .]" 3
54 1 53 GLU O 1 57 LEU N 2.800 2.400 3.300 3.058 2.985 3.146 . 0 0 "[ . 1 .]" 3
55 1 88 ALA O 1 92 GLY H 1.800 . 2.300 2.084 1.504 2.505 0.205 14 0 "[ . 1 .]" 3
56 1 88 ALA O 1 92 GLY N 2.800 2.400 3.300 2.974 2.463 3.358 0.058 14 0 "[ . 1 .]" 3
57 1 89 ALA O 1 93 GLU H 1.800 . 2.300 2.060 1.479 2.421 0.121 11 0 "[ . 1 .]" 3
58 1 89 ALA O 1 93 GLU N 2.800 2.400 3.300 2.976 2.421 3.307 0.007 11 0 "[ . 1 .]" 3
59 1 90 GLU O 1 94 LEU H 1.800 . 2.300 2.335 2.147 2.423 0.123 5 0 "[ . 1 .]" 3
60 1 90 GLU O 1 94 LEU N 2.800 2.400 3.300 3.077 2.847 3.233 . 0 0 "[ . 1 .]" 3
61 1 91 ALA O 1 95 LEU H 1.800 . 2.300 2.031 1.829 2.134 . 0 0 "[ . 1 .]" 3
62 1 91 ALA O 1 95 LEU N 2.800 2.400 3.300 2.974 2.758 3.097 . 0 0 "[ . 1 .]" 3
63 1 92 GLY O 1 96 GLY H 1.800 . 2.300 1.954 1.646 2.215 . 0 0 "[ . 1 .]" 3
64 1 92 GLY O 1 96 GLY N 2.800 2.400 3.300 2.477 2.379 2.716 0.021 1 0 "[ . 1 .]" 3
65 1 99 PHE O 1 103 ASP H 1.800 . 2.300 1.946 1.513 2.382 0.082 5 0 "[ . 1 .]" 3
66 1 99 PHE O 1 103 ASP N 2.800 2.400 3.300 2.802 2.412 3.346 0.046 5 0 "[ . 1 .]" 3
67 1 100 SER O 1 104 LEU H 1.800 . 2.300 2.336 1.592 2.504 0.204 1 0 "[ . 1 .]" 3
68 1 100 SER O 1 104 LEU N 2.800 2.400 3.300 3.175 2.373 3.428 0.128 10 0 "[ . 1 .]" 3
69 1 101 VAL O 1 105 LEU H 1.800 . 2.300 1.659 1.457 2.193 0.043 7 0 "[ . 1 .]" 3
70 1 101 VAL O 1 105 LEU N 2.800 2.400 3.300 2.602 2.406 3.002 . 0 0 "[ . 1 .]" 3
71 1 102 TYR O 1 106 ILE H 1.800 . 2.300 2.518 2.408 2.597 0.297 14 0 "[ . 1 .]" 3
72 1 102 TYR O 1 106 ILE N 2.800 2.400 3.300 3.254 3.138 3.380 0.080 6 0 "[ . 1 .]" 3
73 1 103 ASP O 1 107 ASN H 1.800 . 2.300 2.015 1.658 2.316 0.016 10 0 "[ . 1 .]" 3
74 1 103 ASP O 1 107 ASN N 2.800 2.400 3.300 2.883 2.436 3.289 . 0 0 "[ . 1 .]" 3
75 1 104 LEU O 1 108 VAL H 1.800 . 2.300 1.661 1.445 2.391 0.091 15 0 "[ . 1 .]" 3
76 1 104 LEU O 1 108 VAL N 2.800 2.400 3.300 2.493 2.340 3.198 0.060 12 0 "[ . 1 .]" 3
stop_
save_
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