NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
632194 |
6eqy   |
34184 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6eqy
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 592
_Distance_constraint_stats_list.Viol_count 411
_Distance_constraint_stats_list.Viol_total 230.217
_Distance_constraint_stats_list.Viol_max 0.907
_Distance_constraint_stats_list.Viol_rms 0.0282
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0400
_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 15 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 16 HIS 0.278 0.035 13 0 "[ . 1 ]"
1 17 GLU 0.203 0.035 13 0 "[ . 1 ]"
1 18 TRP 0.190 0.024 14 0 "[ . 1 ]"
1 19 GLY 0.091 0.017 12 0 "[ . 1 ]"
1 20 GLU 0.009 0.005 7 0 "[ . 1 ]"
1 21 LEU 0.031 0.010 13 0 "[ . 1 ]"
1 22 VAL 0.042 0.009 12 0 "[ . 1 ]"
1 23 GLN 0.780 0.452 4 0 "[ . 1 ]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 25 ASP 0.508 0.052 13 0 "[ . 1 ]"
1 26 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 27 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 28 THR 0.435 0.052 13 0 "[ . 1 ]"
1 29 VAL 0.131 0.041 4 0 "[ . 1 ]"
1 30 GLY 1.314 0.407 3 0 "[ . 1 ]"
1 31 VAL 0.000 0.000 8 0 "[ . 1 ]"
1 32 ILE 0.050 0.010 8 0 "[ . 1 ]"
1 33 VAL 0.081 0.023 4 0 "[ . 1 ]"
1 34 ARG 0.006 0.006 2 0 "[ . 1 ]"
1 35 LEU 0.130 0.061 5 0 "[ . 1 ]"
1 36 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 37 ARG 0.044 0.017 10 0 "[ . 1 ]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 39 THR 0.052 0.017 10 0 "[ . 1 ]"
1 40 PHE 0.751 0.246 6 0 "[ . 1 ]"
1 41 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 42 VAL 0.033 0.023 4 0 "[ . 1 ]"
1 43 LEU 0.084 0.049 4 0 "[ . 1 ]"
1 44 ASN 1.275 0.407 3 0 "[ . 1 ]"
1 45 MET 0.017 0.011 3 0 "[ . 1 ]"
1 46 TYR 0.090 0.041 4 0 "[ . 1 ]"
1 47 GLY 0.011 0.011 14 0 "[ . 1 ]"
1 48 LYS 0.042 0.015 13 0 "[ . 1 ]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 51 THR 0.000 0.000 . 0 "[ . 1 ]"
1 52 VAL 0.033 0.010 12 0 "[ . 1 ]"
1 53 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 54 HIS 0.028 0.007 1 0 "[ . 1 ]"
1 55 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 57 VAL 6.616 0.907 4 6 "[- +.* 1 ***]"
1 58 THR 5.394 0.907 4 6 "[- +.* 1 ***]"
1 59 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 60 LYS 0.002 0.002 3 0 "[ . 1 ]"
1 65 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 66 ALA 0.013 0.005 14 0 "[ . 1 ]"
1 67 VAL 0.013 0.005 12 0 "[ . 1 ]"
1 68 ALA 0.006 0.003 3 0 "[ . 1 ]"
1 69 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 70 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 71 SER 0.000 0.000 . 0 "[ . 1 ]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 73 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 74 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 75 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 76 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 77 HIS 0.005 0.005 12 0 "[ . 1 ]"
1 78 VAL 0.298 0.043 11 0 "[ . 1 ]"
1 79 LYS 0.126 0.027 10 0 "[ . 1 ]"
1 80 ASP 0.087 0.015 8 0 "[ . 1 ]"
1 81 ILE 0.063 0.024 12 0 "[ . 1 ]"
1 82 VAL 0.004 0.003 2 0 "[ . 1 ]"
1 83 LYS 0.058 0.019 10 0 "[ . 1 ]"
1 84 VAL 0.195 0.038 11 0 "[ . 1 ]"
1 85 ILE 0.083 0.056 2 0 "[ . 1 ]"
1 86 ASP 0.316 0.170 1 0 "[ . 1 ]"
1 87 GLY 0.396 0.170 1 0 "[ . 1 ]"
1 88 PRO 0.226 0.091 11 0 "[ . 1 ]"
1 89 HIS 0.825 0.089 11 0 "[ . 1 ]"
1 90 SER 0.825 0.089 11 0 "[ . 1 ]"
1 91 GLY 0.157 0.038 11 0 "[ . 1 ]"
1 92 ARG 0.012 0.012 1 0 "[ . 1 ]"
1 93 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 94 GLY 0.038 0.019 10 0 "[ . 1 ]"
1 95 GLU 0.063 0.024 12 0 "[ . 1 ]"
1 96 ILE 0.421 0.043 11 0 "[ . 1 ]"
1 97 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 98 HIS 0.242 0.041 8 0 "[ . 1 ]"
1 99 LEU 0.125 0.029 11 0 "[ . 1 ]"
1 100 PHE 0.055 0.019 4 0 "[ . 1 ]"
1 101 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 102 SER 0.106 0.026 10 0 "[ . 1 ]"
1 103 PHE 0.175 0.029 1 0 "[ . 1 ]"
1 104 ALA 0.103 0.022 7 0 "[ . 1 ]"
1 105 PHE 0.266 0.041 8 0 "[ . 1 ]"
1 106 LEU 0.544 0.086 9 0 "[ . 1 ]"
1 107 HIS 0.130 0.023 13 0 "[ . 1 ]"
1 108 CYS 2.500 0.453 10 0 "[ . 1 ]"
1 109 LYS 0.012 0.006 14 0 "[ . 1 ]"
1 110 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 111 LEU 2.511 0.453 10 0 "[ . 1 ]"
1 112 VAL 0.054 0.028 13 0 "[ . 1 ]"
1 113 GLU 0.019 0.014 7 0 "[ . 1 ]"
1 114 ASN 0.103 0.021 14 0 "[ . 1 ]"
1 115 GLY 0.120 0.024 14 0 "[ . 1 ]"
1 116 GLY 0.084 0.023 13 0 "[ . 1 ]"
1 117 MET 0.181 0.049 4 0 "[ . 1 ]"
1 118 PHE 0.235 0.062 8 0 "[ . 1 ]"
1 119 VAL 0.322 0.086 9 0 "[ . 1 ]"
1 120 CYS 0.096 0.086 7 0 "[ . 1 ]"
1 121 LYS 0.692 0.086 7 0 "[ . 1 ]"
1 122 THR 0.244 0.029 1 0 "[ . 1 ]"
1 123 ARG 0.604 0.071 1 0 "[ . 1 ]"
1 124 HIS 0.126 0.042 11 0 "[ . 1 ]"
1 125 LEU 0.029 0.017 11 0 "[ . 1 ]"
1 126 VAL 0.007 0.006 6 0 "[ . 1 ]"
1 127 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 128 ALA 0.019 0.007 4 0 "[ . 1 ]"
1 129 GLY 0.000 0.000 . 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 16 HIS HD2 1 32 ILE MD 0.000 . 4.000 2.939 2.373 3.836 . 0 0 "[ . 1 ]" 1
2 1 31 VAL QG 1 105 PHE QD 0.000 . 4.000 2.060 1.718 2.345 . 0 0 "[ . 1 ]" 1
3 1 35 LEU H 1 40 PHE QD 0.000 . 6.000 4.956 4.434 5.483 . 0 0 "[ . 1 ]" 1
4 1 31 VAL QG 1 105 PHE QE 0.000 . 6.000 2.327 1.980 2.582 . 0 0 "[ . 1 ]" 1
5 1 18 TRP HD1 1 35 LEU QD 0.000 . 3.000 2.163 1.693 2.575 . 0 0 "[ . 1 ]" 1
6 1 18 TRP HD1 1 35 LEU HG 0.000 . 6.000 4.473 2.826 5.186 . 0 0 "[ . 1 ]" 1
7 1 18 TRP HD1 1 35 LEU H 0.000 . 4.000 3.795 3.602 3.968 . 0 0 "[ . 1 ]" 1
8 1 18 TRP HD1 1 34 ARG H 0.000 . 6.000 4.761 4.110 5.120 . 0 0 "[ . 1 ]" 1
9 1 18 TRP HE1 1 33 VAL QG 0.000 . 4.000 2.939 1.849 3.671 . 0 0 "[ . 1 ]" 1
10 1 18 TRP HZ2 1 33 VAL HA 0.000 . 4.000 3.503 3.118 3.963 . 0 0 "[ . 1 ]" 1
11 1 28 THR MG 1 46 TYR QE 0.000 . 4.000 3.315 1.963 3.850 . 0 0 "[ . 1 ]" 1
12 1 45 MET QG 1 46 TYR QE 0.000 . 4.000 3.771 3.212 3.924 . 0 0 "[ . 1 ]" 1
13 1 28 THR MG 1 46 TYR QD 0.000 . 6.000 3.867 3.176 4.247 . 0 0 "[ . 1 ]" 1
14 1 45 MET QG 1 46 TYR QD 0.000 . 6.000 2.918 2.712 4.063 . 0 0 "[ . 1 ]" 1
15 1 45 MET ME 1 46 TYR QD 0.000 . 6.000 2.675 2.230 3.685 . 0 0 "[ . 1 ]" 1
16 1 28 THR MG 1 45 MET ME 0.000 . 3.000 2.730 1.998 2.972 . 0 0 "[ . 1 ]" 1
17 1 80 ASP H 1 96 ILE MD 0.000 . 4.000 3.627 3.507 3.748 . 0 0 "[ . 1 ]" 1
18 1 96 ILE MD 1 106 LEU QD 0.000 . 4.000 3.572 3.259 3.847 . 0 0 "[ . 1 ]" 1
19 1 103 PHE QD 1 119 VAL QG 0.000 . 6.000 3.191 2.681 3.809 . 0 0 "[ . 1 ]" 1
20 1 85 ILE H 1 125 LEU HA 0.000 . 4.000 3.633 3.035 3.982 . 0 0 "[ . 1 ]" 1
21 1 85 ILE H 1 126 VAL H 0.000 . 6.000 4.273 3.685 4.879 . 0 0 "[ . 1 ]" 1
22 1 84 VAL H 1 93 GLU HA 0.000 . 3.000 2.382 2.073 2.613 . 0 0 "[ . 1 ]" 1
23 1 84 VAL H 1 92 ARG H 0.000 . 6.000 3.648 3.520 3.829 . 0 0 "[ . 1 ]" 1
24 1 83 LYS H 1 126 VAL H 0.000 . 3.000 2.940 2.663 3.006 0.006 6 0 "[ . 1 ]" 1
25 1 83 LYS H 1 125 LEU HA 0.000 . 5.000 4.788 4.496 4.932 . 0 0 "[ . 1 ]" 1
26 1 82 VAL H 1 94 GLY H 0.000 . 4.000 3.633 3.281 4.001 0.001 7 0 "[ . 1 ]" 1
27 1 82 VAL H 1 95 GLU HA 0.000 . 5.000 2.907 2.429 3.237 . 0 0 "[ . 1 ]" 1
28 1 107 HIS HA 1 118 PHE H 0.000 . 4.000 3.578 3.282 3.770 . 0 0 "[ . 1 ]" 1
29 1 106 LEU H 1 118 PHE H 0.000 . 3.000 3.013 2.966 3.062 0.062 8 0 "[ . 1 ]" 1
30 1 80 ASP H 1 96 ILE H 0.000 . 4.000 3.077 2.844 3.270 . 0 0 "[ . 1 ]" 1
31 1 81 ILE HA 1 96 ILE H 0.000 . 6.000 2.577 2.301 2.805 . 0 0 "[ . 1 ]" 1
32 1 83 LYS HA 1 94 GLY H 0.000 . 3.000 2.825 2.423 3.019 0.019 10 0 "[ . 1 ]" 1
33 1 84 VAL H 1 94 GLY H 0.000 . 6.000 3.825 3.428 4.553 . 0 0 "[ . 1 ]" 1
34 1 85 ILE HA 1 92 ARG H 0.000 . 6.000 4.078 3.957 4.264 . 0 0 "[ . 1 ]" 1
35 1 106 LEU H 1 120 CYS H 0.000 . 5.000 4.588 4.119 5.008 0.008 10 0 "[ . 1 ]" 1
36 1 106 LEU H 1 119 VAL HA 0.000 . 4.000 2.707 2.279 2.973 . 0 0 "[ . 1 ]" 1
37 1 108 CYS H 1 118 PHE H 0.000 . 6.000 4.771 4.443 5.106 . 0 0 "[ . 1 ]" 1
38 1 108 CYS H 1 116 GLY H 0.000 . 6.000 5.197 4.925 5.434 . 0 0 "[ . 1 ]" 1
39 1 108 CYS H 1 117 MET HA 0.000 . 4.000 3.544 3.122 3.912 . 0 0 "[ . 1 ]" 1
40 1 68 ALA H 1 76 ILE H 0.000 . 4.000 3.360 2.953 3.758 . 0 0 "[ . 1 ]" 1
41 1 68 ALA H 1 75 ASN HA 0.000 . 6.000 5.192 4.743 5.584 . 0 0 "[ . 1 ]" 1
42 1 70 ASP H 1 74 ASN H 0.000 . 3.000 2.845 2.476 2.995 . 0 0 "[ . 1 ]" 1
43 1 70 ASP H 1 73 GLN HA 0.000 . 5.000 4.805 4.527 4.987 . 0 0 "[ . 1 ]" 1
44 1 72 GLU H 1 74 ASN H 0.000 . 6.000 3.585 3.527 3.655 . 0 0 "[ . 1 ]" 1
45 1 70 ASP H 1 72 GLU H 0.000 . 6.000 4.832 4.633 4.932 . 0 0 "[ . 1 ]" 1
46 1 71 SER HB3 1 72 GLU H 0.000 . 6.000 3.759 3.003 4.070 . 0 0 "[ . 1 ]" 1
47 1 40 PHE H 1 52 VAL H 0.000 . 3.000 2.984 2.852 3.010 0.010 12 0 "[ . 1 ]" 1
48 1 41 GLN HA 1 52 VAL H 0.000 . 6.000 3.278 3.023 3.933 . 0 0 "[ . 1 ]" 1
49 1 42 VAL H 1 52 VAL H 0.000 . 6.000 4.232 3.724 4.647 . 0 0 "[ . 1 ]" 1
50 1 42 VAL H 1 50 VAL H 0.000 . 4.000 3.123 2.769 3.415 . 0 0 "[ . 1 ]" 1
51 1 44 ASN H 1 50 VAL H 0.000 . 5.000 4.097 3.804 4.898 . 0 0 "[ . 1 ]" 1
52 1 43 LEU HA 1 50 VAL H 0.000 . 6.000 3.583 3.279 3.872 . 0 0 "[ . 1 ]" 1
53 1 44 ASN H 1 48 LYS H 0.000 . 4.000 2.794 2.168 3.032 . 0 0 "[ . 1 ]" 1
54 1 46 TYR H 1 48 LYS H 0.000 . 4.000 3.877 3.483 4.015 0.015 13 0 "[ . 1 ]" 1
55 1 46 TYR H 1 47 GLY H 0.000 . 3.000 2.676 2.635 2.865 . 0 0 "[ . 1 ]" 1
56 1 47 GLY H 1 48 LYS H 0.000 . 3.000 2.319 2.140 2.730 . 0 0 "[ . 1 ]" 1
57 1 41 GLN H 1 42 VAL H 0.000 . 6.000 4.435 4.209 4.517 . 0 0 "[ . 1 ]" 1
58 1 34 ARG HA 1 41 GLN H 0.000 . 6.000 4.998 4.427 5.313 . 0 0 "[ . 1 ]" 1
59 1 34 ARG H 1 41 GLN H 0.000 . 4.000 3.497 2.809 3.892 . 0 0 "[ . 1 ]" 1
60 1 31 VAL H 1 43 LEU H 0.000 . 3.000 2.318 2.158 2.617 . 0 0 "[ . 1 ]" 1
61 1 32 ILE HA 1 43 LEU H 0.000 . 6.000 3.811 3.488 4.165 . 0 0 "[ . 1 ]" 1
62 1 30 GLY HA3 1 45 MET H 0.000 . 6.000 4.136 3.739 4.960 . 0 0 "[ . 1 ]" 1
63 1 30 GLY HA2 1 45 MET H 0.000 . 6.000 3.377 3.126 3.948 . 0 0 "[ . 1 ]" 1
64 1 29 VAL H 1 45 MET H 0.000 . 6.000 3.372 3.047 3.607 . 0 0 "[ . 1 ]" 1
65 1 22 VAL H 1 30 GLY H 0.000 . 3.000 2.983 2.910 3.009 0.009 12 0 "[ . 1 ]" 1
66 1 23 GLN HA 1 30 GLY H 0.000 . 6.000 3.112 2.933 3.224 . 0 0 "[ . 1 ]" 1
67 1 24 LEU H 1 30 GLY H 0.000 . 6.000 3.628 3.451 3.754 . 0 0 "[ . 1 ]" 1
68 1 20 GLU H 1 32 ILE H 0.000 . 4.000 3.676 3.290 3.993 . 0 0 "[ . 1 ]" 1
69 1 21 LEU HA 1 32 ILE H 0.000 . 6.000 3.529 3.143 3.992 . 0 0 "[ . 1 ]" 1
70 1 25 ASP H 1 28 THR H 0.000 . 3.000 3.031 3.017 3.052 0.052 13 0 "[ . 1 ]" 1
71 1 56 ALA H 1 57 VAL H 0.000 . 3.000 2.550 2.350 2.761 . 0 0 "[ . 1 ]" 1
72 1 55 GLN H 1 57 VAL H 0.000 . 6.000 4.192 3.906 4.864 . 0 0 "[ . 1 ]" 1
73 1 57 VAL H 1 58 THR H 0.000 . 6.000 4.529 4.478 4.602 . 0 0 "[ . 1 ]" 1
74 1 55 GLN H 1 56 ALA H 0.000 . 4.000 2.541 2.455 2.615 . 0 0 "[ . 1 ]" 1
75 1 53 ARG H 1 56 ALA H 0.000 . 6.000 3.580 3.271 4.064 . 0 0 "[ . 1 ]" 1
76 1 56 ALA H 1 57 VAL MG2 0.000 . 5.000 3.332 2.592 3.960 . 0 0 "[ . 1 ]" 1
77 1 84 VAL HA 1 85 ILE H 0.000 . 3.000 2.196 2.183 2.221 . 0 0 "[ . 1 ]" 1
78 1 89 HIS H 1 90 SER H 0.000 . 3.000 2.273 2.243 2.306 . 0 0 "[ . 1 ]" 1
79 1 126 VAL HA 1 127 LEU H 0.000 . 3.000 2.276 2.206 2.408 . 0 0 "[ . 1 ]" 1
80 1 20 GLU HA 1 21 LEU H 0.000 . 3.000 2.210 2.185 2.250 . 0 0 "[ . 1 ]" 1
81 1 21 LEU H 1 32 ILE H 0.000 . 6.000 4.902 4.511 5.366 . 0 0 "[ . 1 ]" 1
82 1 23 GLN HA 1 24 LEU H 0.000 . 3.000 2.212 2.198 2.240 . 0 0 "[ . 1 ]" 1
83 1 24 LEU H 1 29 VAL HA 0.000 . 4.000 2.586 2.516 2.666 . 0 0 "[ . 1 ]" 1
84 1 24 LEU H 1 29 VAL MG1 0.000 . 6.000 4.094 3.978 4.275 . 0 0 "[ . 1 ]" 1
85 1 24 LEU MD1 1 25 ASP H 0.000 . 6.000 4.350 3.661 4.893 . 0 0 "[ . 1 ]" 1
86 1 24 LEU HB2 1 25 ASP H 0.000 . 5.000 3.165 2.514 3.956 . 0 0 "[ . 1 ]" 1
87 1 27 GLN H 1 28 THR H 0.000 . 3.000 1.868 1.859 1.878 . 0 0 "[ . 1 ]" 1
88 1 27 GLN HB3 1 28 THR H 0.000 . 6.000 4.319 3.666 4.425 . 0 0 "[ . 1 ]" 1
89 1 29 VAL MG1 1 30 GLY H 0.000 . 6.000 3.727 3.549 3.852 . 0 0 "[ . 1 ]" 1
90 1 29 VAL MG2 1 30 GLY H 0.000 . 5.000 3.664 3.531 3.822 . 0 0 "[ . 1 ]" 1
91 1 84 VAL HA 1 125 LEU HA 0.000 . 3.000 2.715 2.170 3.017 0.017 11 0 "[ . 1 ]" 1
92 1 69 LEU HA 1 75 ASN HA 0.000 . 4.000 2.871 2.574 3.251 . 0 0 "[ . 1 ]" 1
93 1 41 GLN HA 1 51 THR HA 0.000 . 3.000 2.153 1.874 2.858 . 0 0 "[ . 1 ]" 1
94 1 81 ILE HA 1 95 GLU HA 0.000 . 3.000 2.151 2.029 2.284 . 0 0 "[ . 1 ]" 1
95 1 30 GLY HA2 1 44 ASN HA 0.000 . 3.000 2.998 2.510 3.407 0.407 3 0 "[ . 1 ]" 1
96 1 100 PHE H 1 105 PHE H 0.000 . 6.000 3.975 3.611 4.306 . 0 0 "[ . 1 ]" 1
97 1 100 PHE H 1 103 PHE H 0.000 . 4.000 3.795 3.474 4.019 0.019 4 0 "[ . 1 ]" 1
98 1 98 HIS H 1 106 LEU HA 0.000 . 5.000 4.125 3.851 4.544 . 0 0 "[ . 1 ]" 1
99 1 120 CYS HA 1 121 LYS H 0.000 . 3.000 2.511 2.348 2.567 . 0 0 "[ . 1 ]" 1
100 1 119 VAL HA 1 120 CYS H 0.000 . 3.000 2.349 2.287 2.462 . 0 0 "[ . 1 ]" 1
101 1 97 ARG H 1 106 LEU HA 0.000 . 6.000 2.479 2.058 2.740 . 0 0 "[ . 1 ]" 1
102 1 78 VAL HA 1 96 ILE MD 0.000 . 6.000 4.271 4.017 4.493 . 0 0 "[ . 1 ]" 1
103 1 18 TRP HA 1 19 GLY H 0.000 . 3.000 2.235 2.205 2.302 . 0 0 "[ . 1 ]" 1
104 1 82 VAL HA 1 127 LEU HA 0.000 . 4.000 2.544 2.199 2.859 . 0 0 "[ . 1 ]" 1
105 1 103 PHE HA 1 104 ALA H 0.000 . 3.000 2.404 2.227 2.625 . 0 0 "[ . 1 ]" 1
106 1 97 ARG HA 1 106 LEU HA 0.000 . 6.000 5.225 4.745 5.552 . 0 0 "[ . 1 ]" 1
107 1 105 PHE QD 1 117 MET ME 0.000 . 4.000 3.721 3.406 4.015 0.015 5 0 "[ . 1 ]" 1
108 1 104 ALA H 1 120 CYS H 0.000 . 4.000 2.648 2.373 2.855 . 0 0 "[ . 1 ]" 1
109 1 122 THR H 1 123 ARG H 0.000 . 3.000 2.874 2.853 2.894 . 0 0 "[ . 1 ]" 1
110 1 67 VAL HA 1 77 HIS HA 0.000 . 3.000 2.878 2.489 3.005 0.005 12 0 "[ . 1 ]" 1
111 1 86 ASP H 1 90 SER HA 0.000 . 5.000 3.139 2.316 4.646 . 0 0 "[ . 1 ]" 1
112 1 33 VAL HA 1 35 LEU H 0.000 . 6.000 5.819 5.510 6.010 0.010 10 0 "[ . 1 ]" 1
113 1 35 LEU H 1 41 GLN H 0.000 . 6.000 4.918 4.650 5.277 . 0 0 "[ . 1 ]" 1
114 1 34 ARG HA 1 35 LEU H 0.000 . 3.000 2.198 2.187 2.213 . 0 0 "[ . 1 ]" 1
115 1 34 ARG H 1 35 LEU H 0.000 . 5.000 4.191 3.980 4.295 . 0 0 "[ . 1 ]" 1
116 1 35 LEU H 1 36 GLU H 0.000 . 5.000 4.484 4.203 4.595 . 0 0 "[ . 1 ]" 1
117 1 39 THR H 1 40 PHE H 0.000 . 5.000 4.416 4.392 4.551 . 0 0 "[ . 1 ]" 1
118 1 37 ARG H 1 39 THR H 0.000 . 4.000 3.941 3.786 4.017 0.017 10 0 "[ . 1 ]" 1
119 1 36 GLU H 1 39 THR H 0.000 . 5.000 4.206 3.889 4.713 . 0 0 "[ . 1 ]" 1
120 1 32 ILE HA 1 42 VAL HA 0.000 . 3.000 2.110 1.878 2.429 . 0 0 "[ . 1 ]" 1
121 1 42 VAL HA 1 43 LEU H 0.000 . 3.000 2.321 2.213 2.378 . 0 0 "[ . 1 ]" 1
122 1 33 VAL H 1 42 VAL HA 0.000 . 3.000 2.687 2.165 3.023 0.023 4 0 "[ . 1 ]" 1
123 1 44 ASN H 1 49 VAL HA 0.000 . 4.000 3.127 2.854 3.585 . 0 0 "[ . 1 ]" 1
124 1 43 LEU HA 1 49 VAL HA 0.000 . 3.000 2.107 1.881 2.402 . 0 0 "[ . 1 ]" 1
125 1 49 VAL HA 1 50 VAL H 0.000 . 3.000 2.205 2.191 2.231 . 0 0 "[ . 1 ]" 1
126 1 42 VAL H 1 49 VAL HA 0.000 . 6.000 4.522 4.200 4.927 . 0 0 "[ . 1 ]" 1
127 1 40 PHE H 1 54 HIS H 0.000 . 5.000 4.725 4.284 5.007 0.007 8 0 "[ . 1 ]" 1
128 1 54 HIS H 1 55 GLN H 0.000 . 4.000 2.842 2.709 2.937 . 0 0 "[ . 1 ]" 1
129 1 54 HIS H 1 56 ALA H 0.000 . 5.000 4.031 3.893 4.161 . 0 0 "[ . 1 ]" 1
130 1 23 GLN HA 1 29 VAL HA 0.000 . 3.000 2.039 1.895 2.193 . 0 0 "[ . 1 ]" 1
131 1 24 LEU H 1 28 THR H 0.000 . 5.000 4.915 4.867 4.997 . 0 0 "[ . 1 ]" 1
132 1 42 VAL H 1 51 THR HA 0.000 . 4.000 3.544 3.257 3.873 . 0 0 "[ . 1 ]" 1
133 1 31 VAL QG 1 43 LEU H 0.000 . 4.000 3.243 2.597 3.829 . 0 0 "[ . 1 ]" 1
134 1 70 ASP H 1 76 ILE MD 0.000 . 5.000 3.342 2.696 3.807 . 0 0 "[ . 1 ]" 1
135 1 72 GLU H 1 73 GLN H 0.000 . 3.000 2.863 2.805 2.915 . 0 0 "[ . 1 ]" 1
136 1 18 TRP HA 1 20 GLU H 0.000 . 4.000 3.287 3.177 3.363 . 0 0 "[ . 1 ]" 1
137 1 22 VAL H 1 31 VAL HA 0.000 . 3.000 2.780 2.493 3.000 . 8 0 "[ . 1 ]" 1
138 1 36 GLU H 1 40 PHE HA 0.000 . 4.000 2.524 2.188 3.191 . 0 0 "[ . 1 ]" 1
139 1 38 GLU H 1 39 THR H 0.000 . 3.000 2.408 1.861 2.640 . 0 0 "[ . 1 ]" 1
140 1 40 PHE H 1 51 THR HA 0.000 . 6.000 4.578 4.280 4.836 . 0 0 "[ . 1 ]" 1
141 1 98 HIS H 1 105 PHE H 0.000 . 4.000 3.370 3.175 3.587 . 0 0 "[ . 1 ]" 1
142 1 106 LEU QD 1 118 PHE QE 0.000 . 4.000 2.518 1.905 3.187 . 0 0 "[ . 1 ]" 1
143 1 106 LEU QD 1 118 PHE QD 0.000 . 5.000 2.907 2.618 3.313 . 0 0 "[ . 1 ]" 1
144 1 108 CYS H 1 118 PHE QD 0.000 . 5.000 3.964 3.243 4.347 . 0 0 "[ . 1 ]" 1
145 1 108 CYS HB2 1 118 PHE QD 0.000 . 5.000 3.400 2.656 4.899 . 0 0 "[ . 1 ]" 1
146 1 106 LEU HB2 1 118 PHE H 0.000 . 5.000 3.392 3.015 3.950 . 0 0 "[ . 1 ]" 1
147 1 106 LEU QD 1 120 CYS H 0.000 . 4.000 2.749 2.288 3.079 . 0 0 "[ . 1 ]" 1
148 1 29 VAL MG2 1 119 VAL QG 0.000 . 3.000 2.900 2.850 2.963 . 0 0 "[ . 1 ]" 1
149 1 23 GLN HA 1 29 VAL MG1 0.000 . 3.000 2.787 2.643 2.957 . 0 0 "[ . 1 ]" 1
150 1 21 LEU HA 1 31 VAL QG 0.000 . 3.000 2.385 1.858 2.892 . 0 0 "[ . 1 ]" 1
151 1 31 VAL QG 1 117 MET ME 0.000 . 3.000 2.127 1.774 2.550 . 0 0 "[ . 1 ]" 1
152 1 21 LEU QD 1 31 VAL QG 0.000 . 4.000 2.233 1.609 3.376 . 0 0 "[ . 1 ]" 1
153 1 21 LEU HA 1 31 VAL HA 0.000 . 3.000 2.102 1.860 2.659 . 0 0 "[ . 1 ]" 1
154 1 21 LEU HA 1 22 VAL H 0.000 . 3.000 2.266 2.217 2.363 . 0 0 "[ . 1 ]" 1
155 1 41 GLN HA 1 42 VAL H 0.000 . 3.000 2.207 2.194 2.237 . 0 0 "[ . 1 ]" 1
156 1 43 LEU HA 1 44 ASN H 0.000 . 3.000 2.209 2.187 2.284 . 0 0 "[ . 1 ]" 1
157 1 42 VAL QG 1 44 ASN H 0.000 . 5.500 4.148 3.689 4.667 . 0 0 "[ . 1 ]" 1
158 1 24 LEU H 1 25 ASP H 0.000 . 3.000 2.557 2.501 2.637 . 0 0 "[ . 1 ]" 1
159 1 24 LEU H 1 28 THR HB 0.000 . 6.000 4.057 3.913 4.267 . 0 0 "[ . 1 ]" 1
160 1 29 VAL H 1 45 MET QG 0.000 . 5.000 3.566 2.037 4.271 . 0 0 "[ . 1 ]" 1
161 1 29 VAL HA 1 30 GLY H 0.000 . 3.000 2.382 2.330 2.442 . 0 0 "[ . 1 ]" 1
162 1 29 VAL HB 1 30 GLY H 0.000 . 3.000 2.638 2.479 2.770 . 0 0 "[ . 1 ]" 1
163 1 31 VAL H 1 42 VAL QG 0.000 . 3.000 2.567 1.849 2.973 . 0 0 "[ . 1 ]" 1
164 1 31 VAL HA 1 32 ILE H 0.000 . 3.000 2.283 2.198 2.455 . 0 0 "[ . 1 ]" 1
165 1 32 ILE HA 1 33 VAL H 0.000 . 3.000 2.204 2.180 2.250 . 0 0 "[ . 1 ]" 1
166 1 33 VAL H 1 34 ARG H 0.000 . 3.000 1.932 1.851 2.093 . 0 0 "[ . 1 ]" 1
167 1 34 ARG H 1 40 PHE HA 0.000 . 6.000 5.512 4.779 5.921 . 0 0 "[ . 1 ]" 1
168 1 32 ILE MG 1 34 ARG H 0.000 . 3.000 2.777 1.995 3.006 0.006 2 0 "[ . 1 ]" 1
169 1 36 GLU H 1 40 PHE QD 0.000 . 4.000 2.838 1.916 3.390 . 0 0 "[ . 1 ]" 1
170 1 39 THR MG 1 40 PHE H 0.000 . 3.000 2.900 2.392 3.005 0.005 4 0 "[ . 1 ]" 1
171 1 40 PHE H 1 51 THR MG 0.000 . 4.000 3.118 2.632 3.283 . 0 0 "[ . 1 ]" 1
172 1 40 PHE HA 1 41 GLN H 0.000 . 3.000 2.265 2.205 2.461 . 0 0 "[ . 1 ]" 1
173 1 36 GLU H 1 41 GLN H 0.000 . 5.000 3.897 3.519 4.632 . 0 0 "[ . 1 ]" 1
174 1 32 ILE MG 1 41 GLN H 0.000 . 5.000 3.393 2.873 3.811 . 0 0 "[ . 1 ]" 1
175 1 107 HIS HA 1 117 MET HA 0.000 . 3.000 2.377 1.958 2.622 . 0 0 "[ . 1 ]" 1
176 1 117 MET HA 1 118 PHE QD 0.000 . 4.000 3.342 2.952 3.573 . 0 0 "[ . 1 ]" 1
177 1 43 LEU QD 1 117 MET HA 0.000 . 4.000 3.995 3.919 4.049 0.049 4 0 "[ . 1 ]" 1
178 1 117 MET HA 1 118 PHE H 0.000 . 3.000 2.200 2.180 2.226 . 0 0 "[ . 1 ]" 1
179 1 115 GLY H 1 116 GLY H 0.000 . 3.000 2.515 2.306 2.633 . 0 0 "[ . 1 ]" 1
180 1 92 ARG HA 1 93 GLU H 0.000 . 3.000 2.356 2.238 2.505 . 0 0 "[ . 1 ]" 1
181 1 93 GLU HA 1 94 GLY H 0.000 . 3.000 2.288 2.228 2.358 . 0 0 "[ . 1 ]" 1
182 1 83 LYS HA 1 93 GLU HA 0.000 . 3.000 1.942 1.848 2.079 . 0 0 "[ . 1 ]" 1
183 1 83 LYS HA 1 84 VAL H 0.000 . 3.000 2.269 2.209 2.383 . 0 0 "[ . 1 ]" 1
184 1 84 VAL H 1 84 VAL HB 0.000 . 3.000 2.685 2.639 2.745 . 0 0 "[ . 1 ]" 1
185 1 82 VAL HA 1 83 LYS H 0.000 . 3.000 2.328 2.291 2.395 . 0 0 "[ . 1 ]" 1
186 1 83 LYS H 1 128 ALA H 0.000 . 5.000 3.677 3.436 4.014 . 0 0 "[ . 1 ]" 1
187 1 84 VAL MG1 1 86 ASP H 0.000 . 3.000 2.597 2.164 3.001 0.001 2 0 "[ . 1 ]" 1
188 1 84 VAL MG1 1 91 GLY H 0.000 . 4.000 3.901 3.450 4.013 0.013 11 0 "[ . 1 ]" 1
189 1 84 VAL MG1 1 90 SER QB 0.000 . 4.000 3.371 1.870 3.892 . 0 0 "[ . 1 ]" 1
190 1 84 VAL MG1 1 90 SER HA 0.000 . 4.000 2.431 1.843 2.763 . 0 0 "[ . 1 ]" 1
191 1 84 VAL MG1 1 92 ARG H 0.000 . 5.000 3.772 3.465 4.137 . 0 0 "[ . 1 ]" 1
192 1 91 GLY H 1 92 ARG H 0.000 . 3.000 2.294 2.200 2.402 . 0 0 "[ . 1 ]" 1
193 1 84 VAL MG1 1 90 SER H 0.000 . 5.000 3.139 2.793 3.582 . 0 0 "[ . 1 ]" 1
194 1 79 LYS H 1 80 ASP H 0.000 . 4.000 3.916 3.783 4.006 0.006 12 0 "[ . 1 ]" 1
195 1 77 HIS H 1 79 LYS H 0.000 . 5.000 4.689 4.413 4.857 . 0 0 "[ . 1 ]" 1
196 1 79 LYS H 1 96 ILE MG 0.000 . 4.000 3.580 3.474 3.700 . 0 0 "[ . 1 ]" 1
197 1 77 HIS HA 1 78 VAL H 0.000 . 3.000 2.378 2.279 2.511 . 0 0 "[ . 1 ]" 1
198 1 70 ASP HB2 1 76 ILE MD 0.000 . 3.000 2.313 1.991 2.814 . 0 0 "[ . 1 ]" 1
199 1 70 ASP HB3 1 76 ILE MD 0.000 . 5.000 3.695 3.312 4.241 . 0 0 "[ . 1 ]" 1
200 1 68 ALA MB 1 76 ILE MD 0.000 . 4.000 2.997 2.494 3.338 . 0 0 "[ . 1 ]" 1
201 1 124 HIS H 1 125 LEU H 0.000 . 3.000 2.484 2.215 2.734 . 0 0 "[ . 1 ]" 1
202 1 125 LEU HA 1 126 VAL H 0.000 . 3.000 2.274 2.195 2.328 . 0 0 "[ . 1 ]" 1
203 1 82 VAL HA 1 126 VAL H 0.000 . 5.000 4.552 4.134 4.969 . 0 0 "[ . 1 ]" 1
204 1 83 LYS H 1 127 LEU HA 0.000 . 4.000 3.533 3.229 3.897 . 0 0 "[ . 1 ]" 1
205 1 94 GLY H 1 106 LEU QD 0.000 . 5.000 4.287 3.459 5.002 0.002 13 0 "[ . 1 ]" 1
206 1 97 ARG H 1 98 HIS H 0.000 . 3.000 2.408 2.234 2.638 . 0 0 "[ . 1 ]" 1
207 1 99 LEU HA 1 105 PHE H 0.000 . 3.000 2.988 2.857 3.029 0.029 11 0 "[ . 1 ]" 1
208 1 104 ALA HA 1 105 PHE H 0.000 . 3.000 2.237 2.196 2.306 . 0 0 "[ . 1 ]" 1
209 1 99 LEU HA 1 104 ALA MB 0.000 . 4.000 2.373 1.882 2.733 . 0 0 "[ . 1 ]" 1
210 1 82 VAL HA 1 128 ALA H 0.000 . 3.000 2.839 2.564 3.003 0.003 2 0 "[ . 1 ]" 1
211 1 85 ILE H 1 86 ASP H 0.000 . 3.000 2.041 1.867 2.423 . 0 0 "[ . 1 ]" 1
212 1 85 ILE H 1 90 SER QB 0.000 . 5.000 4.010 2.766 4.666 . 0 0 "[ . 1 ]" 1
213 1 84 VAL MG1 1 89 HIS H 0.000 . 5.000 3.897 3.323 4.986 . 0 0 "[ . 1 ]" 1
214 1 88 PRO HA 1 90 SER H 0.000 . 5.000 3.936 3.807 4.186 . 0 0 "[ . 1 ]" 1
215 1 84 VAL MG2 1 91 GLY H 0.000 . 5.000 4.993 4.833 5.038 0.038 11 0 "[ . 1 ]" 1
216 1 84 VAL HB 1 91 GLY H 0.000 . 5.000 3.636 3.396 3.765 . 0 0 "[ . 1 ]" 1
217 1 84 VAL HB 1 92 ARG H 0.000 . 3.000 2.560 2.153 3.012 0.012 1 0 "[ . 1 ]" 1
218 1 114 ASN H 1 115 GLY H 0.000 . 3.000 2.571 2.211 3.014 0.014 13 0 "[ . 1 ]" 1
219 1 113 GLU QB 1 114 ASN H 0.000 . 4.000 2.417 2.182 2.681 . 0 0 "[ . 1 ]" 1
220 1 113 GLU HG3 1 114 ASN H 0.000 . 5.000 4.594 4.075 5.014 0.014 7 0 "[ . 1 ]" 1
221 1 113 GLU HA 1 114 ASN H 0.000 . 4.000 3.569 3.532 3.584 . 0 0 "[ . 1 ]" 1
222 1 112 VAL H 1 113 GLU H 0.000 . 3.000 1.896 1.837 2.035 . 0 0 "[ . 1 ]" 1
223 1 111 LEU QD 1 113 GLU H 0.000 . 4.000 2.366 1.783 3.860 . 0 0 "[ . 1 ]" 1
224 1 112 VAL QG 1 113 GLU H 0.000 . 4.000 3.218 2.030 3.661 . 0 0 "[ . 1 ]" 1
225 1 111 LEU HG 1 113 GLU H 0.000 . 5.000 3.333 2.744 4.660 . 0 0 "[ . 1 ]" 1
226 1 112 VAL HA 1 113 GLU H 0.000 . 5.000 3.408 3.264 3.512 . 0 0 "[ . 1 ]" 1
227 1 111 LEU HA 1 113 GLU H 0.000 . 4.000 3.571 3.326 3.736 . 0 0 "[ . 1 ]" 1
228 1 111 LEU H 1 112 VAL H 0.000 . 5.000 4.336 3.606 4.535 . 0 0 "[ . 1 ]" 1
229 1 111 LEU HA 1 112 VAL H 0.000 . 3.000 2.211 2.187 2.306 . 0 0 "[ . 1 ]" 1
230 1 111 LEU QD 1 112 VAL H 0.000 . 5.000 2.529 1.977 3.731 . 0 0 "[ . 1 ]" 1
231 1 111 LEU QB 1 112 VAL H 0.000 . 6.000 3.825 3.751 4.042 . 0 0 "[ . 1 ]" 1
232 1 111 LEU HG 1 112 VAL H 0.000 . 6.000 3.356 2.850 4.660 . 0 0 "[ . 1 ]" 1
233 1 110 LYS H 1 111 LEU H 0.000 . 3.000 2.764 2.685 2.908 . 0 0 "[ . 1 ]" 1
234 1 110 LYS QD 1 111 LEU H 0.000 . 5.000 4.721 4.456 4.907 . 0 0 "[ . 1 ]" 1
235 1 109 LYS H 1 110 LYS H 0.000 . 5.000 2.658 2.588 2.768 . 0 0 "[ . 1 ]" 1
236 1 108 CYS H 1 109 LYS H 0.000 . 6.000 4.173 4.039 4.471 . 0 0 "[ . 1 ]" 1
237 1 108 CYS HA 1 109 LYS H 0.000 . 3.000 2.208 2.192 2.236 . 0 0 "[ . 1 ]" 1
238 1 88 PRO HA 1 89 HIS H 0.000 . 4.000 3.471 3.421 3.575 . 0 0 "[ . 1 ]" 1
239 1 89 HIS H 1 90 SER QB 0.000 . 4.000 4.059 4.022 4.089 0.089 11 0 "[ . 1 ]" 1
240 1 86 ASP HB3 1 87 GLY H 0.000 . 4.000 3.254 2.675 4.170 0.170 1 0 "[ . 1 ]" 1
241 1 86 ASP HB2 1 87 GLY H 0.000 . 5.000 4.060 3.846 4.245 . 0 0 "[ . 1 ]" 1
242 1 87 GLY H 1 88 PRO HD3 0.000 . 5.000 4.932 4.633 5.091 0.091 11 0 "[ . 1 ]" 1
243 1 120 CYS H 1 121 LYS H 0.000 . 6.000 4.408 4.360 4.438 . 0 0 "[ . 1 ]" 1
244 1 120 CYS HB3 1 121 LYS H 0.000 . 5.000 2.788 2.285 3.517 . 0 0 "[ . 1 ]" 1
245 1 120 CYS HB2 1 121 LYS H 0.000 . 4.000 3.745 2.238 4.086 0.086 7 0 "[ . 1 ]" 1
246 1 104 ALA H 1 122 THR H 0.000 . 4.000 3.968 3.766 4.022 0.022 7 0 "[ . 1 ]" 1
247 1 123 ARG H 1 123 ARG HA 0.000 . 3.000 2.856 2.804 2.899 . 0 0 "[ . 1 ]" 1
248 1 122 THR MG 1 123 ARG H 0.000 . 6.000 3.831 3.724 3.887 . 0 0 "[ . 1 ]" 1
249 1 123 ARG HA 1 124 HIS H 0.000 . 4.000 3.550 3.532 3.571 . 0 0 "[ . 1 ]" 1
250 1 127 LEU HA 1 128 ALA H 0.000 . 3.000 2.197 2.188 2.212 . 0 0 "[ . 1 ]" 1
251 1 82 VAL QG 1 128 ALA H 0.000 . 4.000 3.840 3.674 3.927 . 0 0 "[ . 1 ]" 1
252 1 122 THR H 1 122 THR MG 0.000 . 3.000 1.929 1.855 2.098 . 0 0 "[ . 1 ]" 1
253 1 103 PHE HA 1 122 THR H 0.000 . 3.300 2.792 2.201 3.329 0.029 1 0 "[ . 1 ]" 1
254 1 110 LYS HA 1 111 LEU H 0.000 . 4.000 3.536 3.516 3.549 . 0 0 "[ . 1 ]" 1
255 1 109 LYS H 1 111 LEU H 0.000 . 5.000 4.314 4.129 4.460 . 0 0 "[ . 1 ]" 1
256 1 121 LYS H 1 122 THR H 0.000 . 5.000 4.466 4.320 4.557 . 0 0 "[ . 1 ]" 1
257 1 121 LYS H 1 123 ARG H 0.000 . 5.000 5.043 5.023 5.071 0.071 1 0 "[ . 1 ]" 1
258 1 121 LYS H 1 124 HIS H 0.000 . 6.000 4.132 3.978 4.308 . 0 0 "[ . 1 ]" 1
259 1 103 PHE QD 1 122 THR H 0.000 . 6.000 4.650 4.129 4.977 . 0 0 "[ . 1 ]" 1
260 1 89 HIS HA 1 90 SER H 0.000 . 4.000 3.413 3.399 3.425 . 0 0 "[ . 1 ]" 1
261 1 90 SER H 1 91 GLY H 0.000 . 5.000 4.614 4.467 4.691 . 0 0 "[ . 1 ]" 1
262 1 87 GLY H 1 90 SER H 0.000 . 6.000 4.582 4.295 4.803 . 0 0 "[ . 1 ]" 1
263 1 90 SER H 1 92 ARG H 0.000 . 6.000 5.049 4.711 5.494 . 0 0 "[ . 1 ]" 1
264 1 86 ASP H 1 90 SER H 0.000 . 6.000 4.297 3.621 5.685 . 0 0 "[ . 1 ]" 1
265 1 85 ILE H 1 91 GLY H 0.000 . 6.000 4.161 3.768 4.395 . 0 0 "[ . 1 ]" 1
266 1 84 VAL H 1 91 GLY H 0.000 . 5.000 4.437 4.245 4.679 . 0 0 "[ . 1 ]" 1
267 1 85 ILE MD 1 91 GLY H 0.000 . 5.000 4.225 1.978 5.003 0.003 8 0 "[ . 1 ]" 1
268 1 90 SER HA 1 91 GLY H 0.000 . 3.000 2.331 2.195 2.716 . 0 0 "[ . 1 ]" 1
269 1 97 ARG H 1 107 HIS H 0.000 . 5.000 3.771 3.438 4.154 . 0 0 "[ . 1 ]" 1
270 1 96 ILE H 1 107 HIS H 0.000 . 5.000 4.943 4.622 5.016 0.016 10 0 "[ . 1 ]" 1
271 1 106 LEU HA 1 107 HIS H 0.000 . 3.000 2.372 2.279 2.487 . 0 0 "[ . 1 ]" 1
272 1 106 LEU HB2 1 107 HIS H 0.000 . 5.000 3.766 3.482 4.022 . 0 0 "[ . 1 ]" 1
273 1 106 LEU QD 1 107 HIS H 0.000 . 5.000 3.559 3.177 3.996 . 0 0 "[ . 1 ]" 1
274 1 109 LYS H 1 109 LYS HA 0.000 . 3.000 2.859 2.840 2.876 . 0 0 "[ . 1 ]" 1
275 1 87 GLY H 1 90 SER QB 0.000 . 4.000 3.409 2.928 3.740 . 0 0 "[ . 1 ]" 1
276 1 100 PHE HA 1 101 ARG H 0.000 . 3.000 2.296 2.192 2.488 . 0 0 "[ . 1 ]" 1
277 1 101 ARG H 1 101 ARG HA 0.000 . 3.000 2.545 2.350 2.748 . 0 0 "[ . 1 ]" 1
278 1 106 LEU QD 1 118 PHE HZ 0.000 . 5.000 3.176 2.183 3.917 . 0 0 "[ . 1 ]" 1
279 1 96 ILE MG 1 106 LEU QD 0.000 . 5.000 3.431 2.821 4.068 . 0 0 "[ . 1 ]" 1
280 1 106 LEU QD 1 118 PHE HA 0.000 . 5.000 4.874 4.752 4.919 . 0 0 "[ . 1 ]" 1
281 1 97 ARG H 1 106 LEU QD 0.000 . 5.000 3.535 2.661 4.419 . 0 0 "[ . 1 ]" 1
282 1 96 ILE H 1 106 LEU QD 0.000 . 4.000 3.625 3.306 3.938 . 0 0 "[ . 1 ]" 1
283 1 82 VAL QG 1 106 LEU QD 0.000 . 4.000 2.043 1.699 2.559 . 0 0 "[ . 1 ]" 1
284 1 96 ILE HA 1 106 LEU QD 0.000 . 3.000 2.388 1.741 2.967 . 0 0 "[ . 1 ]" 1
285 1 96 ILE HG12 1 106 LEU QD 0.000 . 5.000 2.443 1.956 2.923 . 0 0 "[ . 1 ]" 1
286 1 110 LYS H 1 110 LYS HA 0.000 . 3.000 2.821 2.765 2.850 . 0 0 "[ . 1 ]" 1
287 1 122 THR HA 1 123 ARG H 0.000 . 4.000 3.499 3.494 3.503 . 0 0 "[ . 1 ]" 1
288 1 94 GLY HA3 1 95 GLU H 0.000 . 3.000 2.696 2.511 2.812 . 0 0 "[ . 1 ]" 1
289 1 94 GLY HA2 1 95 GLU H 0.000 . 3.000 2.529 2.426 2.718 . 0 0 "[ . 1 ]" 1
290 1 95 GLU HA 1 96 ILE H 0.000 . 3.000 2.246 2.194 2.298 . 0 0 "[ . 1 ]" 1
291 1 105 PHE HA 1 106 LEU H 0.000 . 3.000 2.209 2.185 2.251 . 0 0 "[ . 1 ]" 1
292 1 105 PHE QD 1 106 LEU H 0.000 . 5.000 4.125 3.815 4.531 . 0 0 "[ . 1 ]" 1
293 1 106 LEU H 1 119 VAL QG 0.000 . 5.000 3.937 3.062 4.333 . 0 0 "[ . 1 ]" 1
294 1 31 VAL QG 1 98 HIS HD2 0.000 . 3.000 2.464 1.991 2.674 . 0 0 "[ . 1 ]" 1
295 1 31 VAL HB 1 98 HIS HD2 0.000 . 6.000 4.055 2.367 5.000 . 0 0 "[ . 1 ]" 1
296 1 98 HIS HD2 1 105 PHE QD 0.000 . 5.000 3.486 2.936 3.840 . 0 0 "[ . 1 ]" 1
297 1 98 HIS HD2 1 105 PHE HB3 0.000 . 5.000 2.014 1.873 2.304 . 0 0 "[ . 1 ]" 1
298 1 31 VAL HB 1 105 PHE QD 0.000 . 6.000 3.883 2.964 4.601 . 0 0 "[ . 1 ]" 1
299 1 31 VAL HB 1 117 MET ME 0.000 . 5.000 3.403 2.073 4.650 . 0 0 "[ . 1 ]" 1
300 1 18 TRP HZ2 1 117 MET ME 0.000 . 6.000 4.433 3.957 4.823 . 0 0 "[ . 1 ]" 1
301 1 18 TRP HE3 1 117 MET ME 0.000 . 5.000 4.958 4.669 5.012 0.012 5 0 "[ . 1 ]" 1
302 1 98 HIS HD2 1 117 MET ME 0.000 . 6.000 2.526 2.180 3.314 . 0 0 "[ . 1 ]" 1
303 1 19 GLY HA2 1 117 MET ME 0.000 . 5.000 2.941 2.445 3.405 . 0 0 "[ . 1 ]" 1
304 1 107 HIS HA 1 108 CYS H 0.000 . 3.000 2.232 2.207 2.269 . 0 0 "[ . 1 ]" 1
305 1 96 ILE HA 1 97 ARG H 0.000 . 3.000 2.200 2.189 2.208 . 0 0 "[ . 1 ]" 1
306 1 96 ILE H 1 97 ARG H 0.000 . 6.000 4.388 4.332 4.447 . 0 0 "[ . 1 ]" 1
307 1 98 HIS H 1 99 LEU H 0.000 . 5.000 4.470 4.365 4.541 . 0 0 "[ . 1 ]" 1
308 1 98 HIS H 1 105 PHE QD 0.000 . 6.000 4.371 3.991 4.631 . 0 0 "[ . 1 ]" 1
309 1 97 ARG HA 1 98 HIS H 0.000 . 6.000 3.583 3.571 3.590 . 0 0 "[ . 1 ]" 1
310 1 96 ILE HA 1 98 HIS H 0.000 . 5.000 4.250 3.992 4.476 . 0 0 "[ . 1 ]" 1
311 1 107 HIS HD2 1 117 MET H 0.000 . 6.000 4.229 3.940 4.672 . 0 0 "[ . 1 ]" 1
312 1 19 GLY H 1 31 VAL QG 0.000 . 5.000 3.587 3.165 4.312 . 0 0 "[ . 1 ]" 1
313 1 19 GLY H 1 32 ILE MG 0.000 . 4.000 3.560 3.138 3.909 . 0 0 "[ . 1 ]" 1
314 1 19 GLY H 1 35 LEU QD 0.000 . 6.000 3.931 3.543 4.265 . 0 0 "[ . 1 ]" 1
315 1 19 GLY H 1 32 ILE HB 0.000 . 4.000 3.143 2.601 3.415 . 0 0 "[ . 1 ]" 1
316 1 21 LEU QD 1 22 VAL H 0.000 . 3.000 2.356 1.680 2.912 . 0 0 "[ . 1 ]" 1
317 1 21 LEU QD 1 30 GLY H 0.000 . 6.000 2.877 2.472 3.699 . 0 0 "[ . 1 ]" 1
318 1 21 LEU QD 1 105 PHE QD 0.000 . 5.000 2.523 2.134 3.156 . 0 0 "[ . 1 ]" 1
319 1 21 LEU QD 1 29 VAL MG2 0.000 . 4.000 3.149 2.894 3.384 . 0 0 "[ . 1 ]" 1
320 1 22 VAL MG2 1 30 GLY H 0.000 . 4.000 2.755 1.973 3.103 . 0 0 "[ . 1 ]" 1
321 1 22 VAL MG2 1 42 VAL QG 0.000 . 4.000 1.952 1.583 2.365 . 0 0 "[ . 1 ]" 1
322 1 43 LEU MD1 1 44 ASN H 0.000 . 5.000 3.189 2.706 3.899 . 0 0 "[ . 1 ]" 1
323 1 17 GLU H 1 18 TRP H 0.000 . 5.000 4.454 4.308 4.548 . 0 0 "[ . 1 ]" 1
324 1 16 HIS HD2 1 17 GLU H 0.000 . 5.000 4.952 4.393 5.014 0.014 2 0 "[ . 1 ]" 1
325 1 17 GLU H 1 32 ILE MD 0.000 . 4.000 3.237 2.832 3.708 . 0 0 "[ . 1 ]" 1
326 1 16 HIS HA 1 17 GLU H 0.000 . 3.000 2.745 2.571 2.828 . 0 0 "[ . 1 ]" 1
327 1 16 HIS HB3 1 17 GLU H 0.000 . 3.000 2.010 1.821 2.449 . 0 0 "[ . 1 ]" 1
328 1 16 HIS HB2 1 17 GLU H 0.000 . 3.000 3.011 2.991 3.035 0.035 13 0 "[ . 1 ]" 1
329 1 15 GLN H 1 16 HIS H 0.000 . 3.000 2.494 1.944 3.000 . 0 0 "[ . 1 ]" 1
330 1 16 HIS H 1 32 ILE MD 0.000 . 6.000 5.593 5.158 6.007 0.007 7 0 "[ . 1 ]" 1
331 1 15 GLN HB3 1 16 HIS H 0.000 . 4.000 3.301 2.430 3.996 . 0 0 "[ . 1 ]" 1
332 1 15 GLN HB2 1 16 HIS H 0.000 . 4.000 2.957 1.902 3.914 . 0 0 "[ . 1 ]" 1
333 1 18 TRP HZ2 1 115 GLY H 0.000 . 6.000 5.009 4.682 5.216 . 0 0 "[ . 1 ]" 1
334 1 18 TRP HZ2 1 107 HIS HD2 0.000 . 5.000 4.128 3.465 4.687 . 0 0 "[ . 1 ]" 1
335 1 18 TRP HZ2 1 115 GLY HA3 0.000 . 3.000 2.326 1.857 2.684 . 0 0 "[ . 1 ]" 1
336 1 18 TRP HZ2 1 115 GLY HA2 0.000 . 3.000 3.001 2.951 3.024 0.024 14 0 "[ . 1 ]" 1
337 1 18 TRP HZ2 1 33 VAL HB 0.000 . 5.000 3.982 3.475 4.921 . 0 0 "[ . 1 ]" 1
338 1 18 TRP HZ2 1 33 VAL QG 0.000 . 6.000 2.861 2.157 4.309 . 0 0 "[ . 1 ]" 1
339 1 18 TRP HE3 1 19 GLY H 0.000 . 5.000 3.849 3.209 4.434 . 0 0 "[ . 1 ]" 1
340 1 18 TRP HD1 1 19 GLY H 0.000 . 6.000 4.238 3.709 4.736 . 0 0 "[ . 1 ]" 1
341 1 18 TRP HD1 1 33 VAL HA 0.000 . 4.000 3.626 3.218 3.998 . 0 0 "[ . 1 ]" 1
342 1 18 TRP HD1 1 34 ARG HA 0.000 . 6.000 3.654 3.384 4.259 . 0 0 "[ . 1 ]" 1
343 1 18 TRP HH2 1 117 MET ME 0.000 . 5.000 3.521 2.954 3.961 . 0 0 "[ . 1 ]" 1
344 1 97 ARG H 1 117 MET ME 0.000 . 6.000 4.659 4.197 5.539 . 0 0 "[ . 1 ]" 1
345 1 117 MET ME 1 118 PHE H 0.000 . 5.000 4.203 3.707 4.754 . 0 0 "[ . 1 ]" 1
346 1 78 VAL MG1 1 99 LEU H 0.000 . 6.000 2.974 1.989 4.765 . 0 0 "[ . 1 ]" 1
347 1 78 VAL MG1 1 79 LYS H 0.000 . 5.000 3.129 2.138 3.821 . 0 0 "[ . 1 ]" 1
348 1 21 LEU H 1 32 ILE MD 0.000 . 6.000 5.279 4.942 5.682 . 0 0 "[ . 1 ]" 1
349 1 20 GLU H 1 32 ILE MD 0.000 . 5.000 3.535 3.334 3.810 . 0 0 "[ . 1 ]" 1
350 1 32 ILE MD 1 40 PHE QD 0.000 . 6.000 3.626 3.348 3.925 . 0 0 "[ . 1 ]" 1
351 1 16 HIS HB3 1 32 ILE MD 0.000 . 4.000 2.776 2.491 3.072 . 0 0 "[ . 1 ]" 1
352 1 16 HIS HB2 1 32 ILE MD 0.000 . 5.000 3.509 3.042 4.006 . 0 0 "[ . 1 ]" 1
353 1 20 GLU HB3 1 32 ILE MD 0.000 . 4.000 2.166 1.776 3.250 . 0 0 "[ . 1 ]" 1
354 1 20 GLU HB2 1 32 ILE MD 0.000 . 5.000 2.815 1.803 3.591 . 0 0 "[ . 1 ]" 1
355 1 22 VAL MG2 1 32 ILE MD 0.000 . 5.000 4.100 3.723 4.567 . 0 0 "[ . 1 ]" 1
356 1 22 VAL MG1 1 32 ILE MD 0.000 . 3.000 2.742 2.407 3.001 0.001 7 0 "[ . 1 ]" 1
357 1 32 ILE MD 1 42 VAL QG 0.000 . 5.000 3.277 3.037 3.560 . 0 0 "[ . 1 ]" 1
358 1 22 VAL HA 1 23 GLN H 0.000 . 3.000 2.314 2.257 2.428 . 0 0 "[ . 1 ]" 1
359 1 23 GLN H 1 58 THR H 0.000 . 4.000 3.571 3.101 4.009 0.009 8 0 "[ . 1 ]" 1
360 1 22 VAL MG2 1 23 GLN H 0.000 . 5.000 3.653 3.419 3.798 . 0 0 "[ . 1 ]" 1
361 1 22 VAL MG1 1 23 GLN H 0.000 . 4.000 3.917 3.818 3.979 . 0 0 "[ . 1 ]" 1
362 1 57 VAL HA 1 58 THR H 0.000 . 5.000 2.455 2.358 2.523 . 0 0 "[ . 1 ]" 1
363 1 57 VAL MG1 1 58 THR H 0.000 . 3.000 3.252 2.087 3.907 0.907 4 6 "[- +.* 1 ***]" 1
364 1 57 VAL MG2 1 58 THR H 0.000 . 5.000 3.629 3.005 4.178 . 0 0 "[ . 1 ]" 1
365 1 57 VAL HB 1 58 THR H 0.000 . 3.000 2.650 2.410 3.007 0.007 8 0 "[ . 1 ]" 1
366 1 26 PRO HA 1 27 GLN H 0.000 . 5.000 3.370 3.353 3.399 . 0 0 "[ . 1 ]" 1
367 1 52 VAL HA 1 53 ARG H 0.000 . 3.000 2.356 2.259 2.460 . 0 0 "[ . 1 ]" 1
368 1 39 THR MG 1 53 ARG H 0.000 . 4.000 3.467 2.832 3.838 . 0 0 "[ . 1 ]" 1
369 1 53 ARG HA 1 54 HIS H 0.000 . 3.000 2.380 2.276 2.517 . 0 0 "[ . 1 ]" 1
370 1 116 GLY H 1 117 MET H 0.000 . 3.000 2.789 2.607 2.970 . 0 0 "[ . 1 ]" 1
371 1 108 CYS H 1 118 PHE QE 0.000 . 4.000 3.588 2.474 3.981 . 0 0 "[ . 1 ]" 1
372 1 107 HIS HD2 1 108 CYS H 0.000 . 3.000 2.511 1.937 2.923 . 0 0 "[ . 1 ]" 1
373 1 92 ARG H 1 93 GLU H 0.000 . 5.000 4.496 4.440 4.533 . 0 0 "[ . 1 ]" 1
374 1 128 ALA H 1 129 GLY H 0.000 . 5.000 3.482 2.600 4.672 . 0 0 "[ . 1 ]" 1
375 1 17 GLU HA 1 18 TRP H 0.000 . 3.000 2.380 2.254 2.516 . 0 0 "[ . 1 ]" 1
376 1 18 TRP H 1 35 LEU QD 0.000 . 4.000 3.191 2.767 3.547 . 0 0 "[ . 1 ]" 1
377 1 23 GLN H 1 58 THR HA 0.000 . 5.000 4.962 4.900 5.011 0.011 13 0 "[ . 1 ]" 1
378 1 23 GLN H 1 58 THR MG 0.000 . 4.000 3.244 2.331 3.976 . 0 0 "[ . 1 ]" 1
379 1 66 ALA HA 1 67 VAL H 0.000 . 3.000 2.358 2.188 3.003 0.003 6 0 "[ . 1 ]" 1
380 1 75 ASN HA 1 76 ILE H 0.000 . 3.000 2.211 2.191 2.244 . 0 0 "[ . 1 ]" 1
381 1 31 VAL H 1 105 PHE QE 0.000 . 5.000 3.321 2.197 3.855 . 0 0 "[ . 1 ]" 1
382 1 31 VAL H 1 105 PHE HZ 0.000 . 6.000 4.466 3.800 4.881 . 0 0 "[ . 1 ]" 1
383 1 37 ARG H 1 37 ARG HA 0.000 . 3.000 2.918 2.882 2.980 . 0 0 "[ . 1 ]" 1
384 1 39 THR HB 1 40 PHE H 0.000 . 3.000 2.319 2.243 2.505 . 0 0 "[ . 1 ]" 1
385 1 47 GLY H 1 119 VAL QG 0.000 . 4.000 3.057 2.522 3.410 . 0 0 "[ . 1 ]" 1
386 1 43 LEU QD 1 47 GLY H 0.000 . 5.000 3.547 3.229 3.988 . 0 0 "[ . 1 ]" 1
387 1 58 THR HB 1 59 ARG H 0.000 . 3.000 2.625 2.412 2.814 . 0 0 "[ . 1 ]" 1
388 1 78 VAL HA 1 79 LYS H 0.000 . 4.000 3.497 3.483 3.523 . 0 0 "[ . 1 ]" 1
389 1 80 ASP H 1 81 ILE H 0.000 . 5.000 4.392 4.357 4.409 . 0 0 "[ . 1 ]" 1
390 1 18 TRP H 1 32 ILE MG 0.000 . 5.000 4.989 4.900 5.010 0.010 8 0 "[ . 1 ]" 1
391 1 18 TRP H 1 18 TRP HE3 0.000 . 5.000 4.878 4.717 5.011 0.011 8 0 "[ . 1 ]" 1
392 1 18 TRP H 1 18 TRP HD1 0.000 . 5.000 4.887 4.733 4.990 . 0 0 "[ . 1 ]" 1
393 1 20 GLU H 1 32 ILE HB 0.000 . 3.000 2.698 2.460 3.005 0.005 7 0 "[ . 1 ]" 1
394 1 19 GLY H 1 32 ILE H 0.000 . 5.000 4.214 3.648 4.591 . 0 0 "[ . 1 ]" 1
395 1 32 ILE H 1 42 VAL QG 0.000 . 5.000 3.361 2.749 3.694 . 0 0 "[ . 1 ]" 1
396 1 22 VAL H 1 32 ILE H 0.000 . 5.000 4.502 4.229 4.907 . 0 0 "[ . 1 ]" 1
397 1 22 VAL H 1 31 VAL QG 0.000 . 5.000 3.694 3.270 4.118 . 0 0 "[ . 1 ]" 1
398 1 23 GLN H 1 29 VAL MG1 0.000 . 5.000 4.941 4.847 5.010 0.010 4 0 "[ . 1 ]" 1
399 1 23 GLN H 1 57 VAL MG1 0.000 . 6.000 5.712 4.816 6.452 0.452 4 0 "[ . 1 ]" 1
400 1 25 ASP H 1 27 GLN H 0.000 . 5.000 4.012 3.977 4.096 . 0 0 "[ . 1 ]" 1
401 1 25 ASP H 1 29 VAL HA 0.000 . 4.000 3.987 3.904 4.017 0.017 10 0 "[ . 1 ]" 1
402 1 28 THR HA 1 29 VAL H 0.000 . 3.000 2.222 2.193 2.276 . 0 0 "[ . 1 ]" 1
403 1 28 THR MG 1 29 VAL H 0.000 . 3.000 2.456 2.272 2.690 . 0 0 "[ . 1 ]" 1
404 1 35 LEU HA 1 40 PHE HA 0.000 . 5.000 2.953 2.396 4.023 . 0 0 "[ . 1 ]" 1
405 1 18 TRP HB3 1 35 LEU QD 0.000 . 4.000 3.807 3.393 3.936 . 0 0 "[ . 1 ]" 1
406 1 18 TRP HB2 1 35 LEU QD 0.000 . 4.000 2.485 2.059 2.696 . 0 0 "[ . 1 ]" 1
407 1 18 TRP HA 1 35 LEU QD 0.000 . 4.000 2.409 2.000 2.755 . 0 0 "[ . 1 ]" 1
408 1 18 TRP HA 1 32 ILE MG 0.000 . 4.000 2.870 2.668 3.152 . 0 0 "[ . 1 ]" 1
409 1 18 TRP HE1 1 35 LEU QD 0.000 . 5.000 3.951 3.256 4.635 . 0 0 "[ . 1 ]" 1
410 1 18 TRP HE1 1 33 VAL HA 0.000 . 4.000 2.359 1.962 2.890 . 0 0 "[ . 1 ]" 1
411 1 18 TRP HE1 1 33 VAL HB 0.000 . 4.000 3.624 3.001 4.023 0.023 13 0 "[ . 1 ]" 1
412 1 18 TRP HE1 1 115 GLY HA3 0.000 . 5.000 3.741 2.987 4.327 . 0 0 "[ . 1 ]" 1
413 1 18 TRP HE1 1 115 GLY HA2 0.000 . 5.000 4.380 3.965 4.762 . 0 0 "[ . 1 ]" 1
414 1 18 TRP HH2 1 107 HIS HD2 0.000 . 4.000 2.747 1.990 3.328 . 0 0 "[ . 1 ]" 1
415 1 18 TRP HH2 1 115 GLY HA2 0.000 . 5.000 4.624 4.295 4.882 . 0 0 "[ . 1 ]" 1
416 1 18 TRP HH2 1 107 HIS HB2 0.000 . 5.000 4.005 3.373 4.581 . 0 0 "[ . 1 ]" 1
417 1 18 TRP HH2 1 117 MET HG3 0.000 . 5.000 3.331 2.441 3.932 . 0 0 "[ . 1 ]" 1
418 1 18 TRP HH2 1 117 MET HG2 0.000 . 5.000 3.203 2.884 3.606 . 0 0 "[ . 1 ]" 1
419 1 107 HIS HD2 1 117 MET HA 0.000 . 4.000 3.428 3.086 3.794 . 0 0 "[ . 1 ]" 1
420 1 107 HIS HD2 1 117 MET HG3 0.000 . 5.000 3.734 2.038 4.649 . 0 0 "[ . 1 ]" 1
421 1 107 HIS HD2 1 117 MET HG2 0.000 . 5.000 2.821 2.091 3.473 . 0 0 "[ . 1 ]" 1
422 1 107 HIS HD2 1 116 GLY HA3 0.000 . 4.000 3.405 2.976 3.985 . 0 0 "[ . 1 ]" 1
423 1 107 HIS HD2 1 116 GLY HA2 0.000 . 5.000 4.635 4.235 5.002 0.002 9 0 "[ . 1 ]" 1
424 1 111 LEU QD 1 116 GLY H 0.000 . 5.000 2.595 1.785 3.323 . 0 0 "[ . 1 ]" 1
425 1 111 LEU QB 1 116 GLY H 0.000 . 5.000 3.361 3.038 3.825 . 0 0 "[ . 1 ]" 1
426 1 111 LEU HG 1 116 GLY H 0.000 . 5.000 3.373 2.012 4.677 . 0 0 "[ . 1 ]" 1
427 1 114 ASN HB3 1 116 GLY H 0.000 . 5.000 4.329 3.849 4.999 . 0 0 "[ . 1 ]" 1
428 1 107 HIS HD2 1 116 GLY H 0.000 . 5.000 4.943 4.669 5.023 0.023 13 0 "[ . 1 ]" 1
429 1 49 VAL QG 1 116 GLY H 0.000 . 6.000 5.584 5.130 5.754 . 0 0 "[ . 1 ]" 1
430 1 31 VAL QG 1 105 PHE HB3 0.000 . 4.000 2.662 2.271 2.946 . 0 0 "[ . 1 ]" 1
431 1 31 VAL QG 1 105 PHE HB2 0.000 . 4.000 3.287 2.807 3.675 . 0 0 "[ . 1 ]" 1
432 1 19 GLY HA2 1 31 VAL QG 0.000 . 4.000 2.653 2.157 3.520 . 0 0 "[ . 1 ]" 1
433 1 19 GLY HA3 1 31 VAL QG 0.000 . 5.000 3.873 3.347 4.822 . 0 0 "[ . 1 ]" 1
434 1 21 LEU HB2 1 98 HIS HE1 0.000 . 5.000 4.887 3.620 5.010 0.010 13 0 "[ . 1 ]" 1
435 1 19 GLY H 1 98 HIS HE1 0.000 . 5.000 5.003 4.979 5.017 0.017 12 0 "[ . 1 ]" 1
436 1 30 GLY HA3 1 105 PHE HZ 0.000 . 5.000 4.157 3.622 4.960 . 0 0 "[ . 1 ]" 1
437 1 30 GLY HA2 1 105 PHE HZ 0.000 . 5.000 2.701 2.245 3.580 . 0 0 "[ . 1 ]" 1
438 1 105 PHE HZ 1 119 VAL QG 0.000 . 5.000 3.195 2.836 3.518 . 0 0 "[ . 1 ]" 1
439 1 108 CYS H 1 111 LEU H 0.000 . 5.000 4.732 4.477 4.869 . 0 0 "[ . 1 ]" 1
440 1 108 CYS HB2 1 111 LEU H 0.000 . 4.000 4.039 2.803 4.453 0.453 10 0 "[ . 1 ]" 1
441 1 109 LYS HA 1 111 LEU H 0.000 . 4.000 3.977 3.895 4.006 0.006 14 0 "[ . 1 ]" 1
442 1 111 LEU H 1 116 GLY HA3 0.000 . 5.000 3.471 3.155 3.766 . 0 0 "[ . 1 ]" 1
443 1 111 LEU H 1 116 GLY HA2 0.000 . 5.000 4.134 3.695 4.436 . 0 0 "[ . 1 ]" 1
444 1 112 VAL H 1 112 VAL HB 0.000 . 3.000 2.762 2.545 3.028 0.028 13 0 "[ . 1 ]" 1
445 1 114 ASN HB2 1 116 GLY H 0.000 . 5.000 3.631 2.846 4.961 . 0 0 "[ . 1 ]" 1
446 1 32 ILE MG 1 40 PHE HA 0.000 . 5.000 4.106 3.900 4.317 . 0 0 "[ . 1 ]" 1
447 1 40 PHE HA 1 42 VAL QG 0.000 . 5.000 4.686 4.459 4.958 . 0 0 "[ . 1 ]" 1
448 1 32 ILE MG 1 35 LEU H 0.000 . 5.000 4.023 3.617 4.482 . 0 0 "[ . 1 ]" 1
449 1 35 LEU HA 1 40 PHE QD 0.000 . 4.000 2.242 1.861 2.702 . 0 0 "[ . 1 ]" 1
450 1 35 LEU HA 1 40 PHE QE 0.000 . 5.000 3.783 2.862 4.380 . 0 0 "[ . 1 ]" 1
451 1 32 ILE MD 1 35 LEU QD 0.000 . 5.000 2.970 2.527 3.652 . 0 0 "[ . 1 ]" 1
452 1 32 ILE MG 1 35 LEU QD 0.000 . 4.000 1.902 1.567 2.438 . 0 0 "[ . 1 ]" 1
453 1 102 SER HA 1 122 THR H 0.000 . 5.000 4.520 4.198 4.824 . 0 0 "[ . 1 ]" 1
454 1 102 SER QB 1 122 THR H 0.000 . 5.000 4.666 4.079 5.026 0.026 10 0 "[ . 1 ]" 1
455 1 124 HIS HA 1 124 HIS HD2 0.000 . 4.000 2.655 2.166 4.042 0.042 11 0 "[ . 1 ]" 1
456 1 124 HIS H 1 124 HIS HD2 0.000 . 4.000 3.166 2.738 3.445 . 0 0 "[ . 1 ]" 1
457 1 86 ASP HB3 1 124 HIS HD2 0.000 . 4.000 3.266 2.675 4.018 0.018 11 0 "[ . 1 ]" 1
458 1 86 ASP HB2 1 124 HIS HD2 0.000 . 4.000 3.615 3.213 4.015 0.015 14 0 "[ . 1 ]" 1
459 1 35 LEU HA 1 41 GLN H 0.000 . 5.000 3.291 2.635 4.608 . 0 0 "[ . 1 ]" 1
460 1 25 ASP H 1 29 VAL MG1 0.000 . 5.000 4.427 4.295 4.781 . 0 0 "[ . 1 ]" 1
461 1 25 ASP H 1 28 THR HB 0.000 . 3.000 2.689 2.616 2.769 . 0 0 "[ . 1 ]" 1
462 1 23 GLN QG 1 25 ASP H 0.000 . 4.000 2.657 2.407 3.816 . 0 0 "[ . 1 ]" 1
463 1 123 ARG HA 1 125 LEU H 0.000 . 5.000 4.028 3.820 4.284 . 0 0 "[ . 1 ]" 1
464 1 80 ASP H 1 96 ILE MG 0.000 . 3.000 2.961 2.790 3.005 0.005 9 0 "[ . 1 ]" 1
465 1 78 VAL HA 1 80 ASP H 0.000 . 5.000 4.982 4.742 5.015 0.015 8 0 "[ . 1 ]" 1
466 1 78 VAL HA 1 96 ILE MG 0.000 . 4.000 2.213 2.116 2.309 . 0 0 "[ . 1 ]" 1
467 1 49 VAL QG 1 114 ASN QD 0.000 . 4.000 2.447 1.829 3.162 . 0 0 "[ . 1 ]" 1
468 1 43 LEU QD 1 114 ASN QD 0.000 . 5.000 3.667 2.116 4.346 . 0 0 "[ . 1 ]" 1
469 1 79 LYS H 1 96 ILE MD 0.000 . 5.000 5.006 4.971 5.027 0.027 10 0 "[ . 1 ]" 1
470 1 78 VAL H 1 96 ILE MG 0.000 . 4.000 4.017 4.004 4.043 0.043 11 0 "[ . 1 ]" 1
471 1 69 LEU HA 1 76 ILE H 0.000 . 5.000 3.140 2.603 3.417 . 0 0 "[ . 1 ]" 1
472 1 73 GLN H 1 74 ASN H 0.000 . 3.000 2.701 2.660 2.752 . 0 0 "[ . 1 ]" 1
473 1 69 LEU QD 1 73 GLN HA 0.000 . 5.000 3.046 2.538 3.610 . 0 0 "[ . 1 ]" 1
474 1 74 ASN QD 1 127 LEU H 0.000 . 5.000 2.875 2.175 3.544 . 0 0 "[ . 1 ]" 1
475 1 74 ASN QD 1 127 LEU QD 0.000 . 5.000 3.351 2.308 3.912 . 0 0 "[ . 1 ]" 1
476 1 76 ILE MG 1 77 HIS H 0.000 . 3.000 2.294 2.117 2.534 . 0 0 "[ . 1 ]" 1
477 1 68 ALA MB 1 69 LEU H 0.000 . 3.000 2.792 2.715 2.918 . 0 0 "[ . 1 ]" 1
478 1 68 ALA MB 1 99 LEU QD 0.000 . 3.000 1.983 1.720 2.300 . 0 0 "[ . 1 ]" 1
479 1 68 ALA MB 1 76 ILE HB 0.000 . 4.000 2.532 2.040 3.078 . 0 0 "[ . 1 ]" 1
480 1 69 LEU QD 1 76 ILE H 0.000 . 4.000 3.876 3.725 3.962 . 0 0 "[ . 1 ]" 1
481 1 69 LEU QD 1 70 ASP H 0.000 . 4.000 2.647 1.863 3.817 . 0 0 "[ . 1 ]" 1
482 1 69 LEU QD 1 75 ASN HA 0.000 . 4.000 2.553 2.339 2.854 . 0 0 "[ . 1 ]" 1
483 1 69 LEU QD 1 73 GLN QB 0.000 . 5.000 4.215 3.800 4.447 . 0 0 "[ . 1 ]" 1
484 1 69 LEU QD 1 73 GLN QG 0.000 . 5.000 4.135 3.678 4.718 . 0 0 "[ . 1 ]" 1
485 1 76 ILE MD 1 122 THR HA 0.000 . 5.000 3.938 3.285 4.693 . 0 0 "[ . 1 ]" 1
486 1 76 ILE MD 1 122 THR HB 0.000 . 5.000 2.538 1.834 3.658 . 0 0 "[ . 1 ]" 1
487 1 76 ILE MD 1 122 THR MG 0.000 . 5.000 3.227 2.294 4.396 . 0 0 "[ . 1 ]" 1
488 1 80 ASP HA 1 81 ILE H 0.000 . 3.000 2.579 2.451 2.737 . 0 0 "[ . 1 ]" 1
489 1 80 ASP H 1 96 ILE HB 0.000 . 3.000 1.945 1.870 2.095 . 0 0 "[ . 1 ]" 1
490 1 69 LEU QD 1 75 ASN HD21 0.000 . 5.000 4.184 2.270 4.884 . 0 0 "[ . 1 ]" 1
491 1 69 LEU QD 1 75 ASN HD22 0.000 . 5.000 4.014 2.935 4.856 . 0 0 "[ . 1 ]" 1
492 1 42 VAL QG 1 43 LEU H 0.000 . 3.000 2.532 1.939 2.978 . 0 0 "[ . 1 ]" 1
493 1 42 VAL QG 1 44 ASN HA 0.000 . 4.000 3.724 3.431 3.977 . 0 0 "[ . 1 ]" 1
494 1 30 GLY HA3 1 42 VAL QG 0.000 . 4.000 2.316 1.761 2.668 . 0 0 "[ . 1 ]" 1
495 1 30 GLY HA2 1 42 VAL QG 0.000 . 4.000 3.345 2.549 3.800 . 0 0 "[ . 1 ]" 1
496 1 104 ALA H 1 119 VAL QG 0.000 . 4.000 2.780 2.134 3.883 . 0 0 "[ . 1 ]" 1
497 1 104 ALA H 1 122 THR MG 0.000 . 4.000 3.471 3.165 3.578 . 0 0 "[ . 1 ]" 1
498 1 104 ALA H 1 119 VAL HB 0.000 . 5.000 4.475 3.340 5.012 0.012 13 0 "[ . 1 ]" 1
499 1 98 HIS HB2 1 105 PHE H 0.000 . 3.000 2.933 2.755 3.041 0.041 8 0 "[ . 1 ]" 1
500 1 106 LEU H 1 106 LEU HB2 0.000 . 3.000 2.544 2.438 2.642 . 0 0 "[ . 1 ]" 1
501 1 106 LEU H 1 117 MET ME 0.000 . 5.000 4.565 3.914 4.998 . 0 0 "[ . 1 ]" 1
502 1 106 LEU H 1 119 VAL HB 0.000 . 5.000 4.509 4.056 5.086 0.086 9 0 "[ . 1 ]" 1
503 1 108 CYS H 1 111 LEU QB 0.000 . 5.000 4.455 4.033 4.862 . 0 0 "[ . 1 ]" 1
504 1 114 ASN HB3 1 117 MET H 0.000 . 5.000 4.439 4.009 5.017 0.017 3 0 "[ . 1 ]" 1
505 1 114 ASN HB2 1 117 MET H 0.000 . 5.000 4.123 3.563 5.021 0.021 14 0 "[ . 1 ]" 1
506 1 33 VAL QG 1 117 MET H 0.000 . 5.000 3.642 3.058 4.234 . 0 0 "[ . 1 ]" 1
507 1 111 LEU QD 1 117 MET H 0.000 . 5.000 3.933 3.338 4.770 . 0 0 "[ . 1 ]" 1
508 1 45 MET HA 1 105 PHE HZ 0.000 . 4.000 3.524 2.744 3.787 . 0 0 "[ . 1 ]" 1
509 1 45 MET H 1 105 PHE HZ 0.000 . 4.000 3.821 3.294 4.011 0.011 3 0 "[ . 1 ]" 1
510 1 29 VAL MG2 1 105 PHE HZ 0.000 . 4.000 1.869 1.744 2.043 . 0 0 "[ . 1 ]" 1
511 1 32 ILE MG 1 40 PHE QD 0.000 . 4.000 3.157 2.549 3.935 . 0 0 "[ . 1 ]" 1
512 1 40 PHE QD 1 54 HIS HA 0.000 . 4.000 2.812 2.049 3.518 . 0 0 "[ . 1 ]" 1
513 1 35 LEU QB 1 40 PHE QD 0.000 . 5.000 3.030 2.247 4.226 . 0 0 "[ . 1 ]" 1
514 1 35 LEU HG 1 40 PHE QD 0.000 . 4.000 3.253 2.208 4.061 0.061 5 0 "[ . 1 ]" 1
515 1 40 PHE QD 1 57 VAL MG1 0.000 . 4.000 3.902 3.373 4.246 0.246 6 0 "[ . 1 ]" 1
516 1 35 LEU QD 1 40 PHE QD 0.000 . 4.000 2.714 1.699 3.854 . 0 0 "[ . 1 ]" 1
517 1 40 PHE QD 1 42 VAL QG 0.000 . 5.000 4.576 4.293 4.828 . 0 0 "[ . 1 ]" 1
518 1 67 VAL HA 1 68 ALA H 0.000 . 3.000 2.321 2.236 2.398 . 0 0 "[ . 1 ]" 1
519 1 67 VAL HB 1 68 ALA H 0.000 . 4.000 3.375 2.606 4.003 0.003 3 0 "[ . 1 ]" 1
520 1 68 ALA H 1 76 ILE MD 0.000 . 5.000 4.804 4.526 4.995 . 0 0 "[ . 1 ]" 1
521 1 78 VAL H 1 99 LEU QD 0.000 . 4.000 3.459 2.852 3.840 . 0 0 "[ . 1 ]" 1
522 1 44 ASN H 1 47 GLY H 0.000 . 5.000 4.277 4.105 4.373 . 0 0 "[ . 1 ]" 1
523 1 81 ILE H 1 95 GLU HA 0.000 . 5.000 4.998 4.969 5.024 0.024 12 0 "[ . 1 ]" 1
524 1 81 ILE H 1 81 ILE HB 0.000 . 3.000 2.630 2.539 3.000 0.000 4 0 "[ . 1 ]" 1
525 1 81 ILE H 1 127 LEU QD 0.000 . 5.000 3.925 3.260 4.873 . 0 0 "[ . 1 ]" 1
526 1 81 ILE HA 1 82 VAL H 0.000 . 3.000 2.217 2.195 2.242 . 0 0 "[ . 1 ]" 1
527 1 82 VAL H 1 96 ILE H 0.000 . 4.000 3.558 3.138 3.818 . 0 0 "[ . 1 ]" 1
528 1 82 VAL H 1 106 LEU QD 0.000 . 5.000 3.863 3.417 4.389 . 0 0 "[ . 1 ]" 1
529 1 83 LYS H 1 128 ALA HA 0.000 . 6.000 4.936 4.229 5.509 . 0 0 "[ . 1 ]" 1
530 1 83 LYS H 1 128 ALA MB 0.000 . 4.000 3.921 3.663 4.007 0.007 4 0 "[ . 1 ]" 1
531 1 86 ASP H 1 124 HIS HB3 0.000 . 4.000 3.571 2.672 4.011 0.011 3 0 "[ . 1 ]" 1
532 1 85 ILE HB 1 86 ASP H 0.000 . 4.000 3.687 3.116 4.056 0.056 2 0 "[ . 1 ]" 1
533 1 123 ARG QG 1 124 HIS HD2 0.000 . 4.000 3.212 2.484 3.816 . 0 0 "[ . 1 ]" 1
534 1 39 THR HA 1 54 HIS H 0.000 . 5.000 4.034 3.445 4.621 . 0 0 "[ . 1 ]" 1
535 1 39 THR MG 1 54 HIS H 0.000 . 4.000 3.597 2.817 3.961 . 0 0 "[ . 1 ]" 1
536 1 21 LEU QD 1 105 PHE QE 0.000 . 4.000 2.207 1.828 2.559 . 0 0 "[ . 1 ]" 1
537 1 105 PHE QE 1 119 VAL QG 0.000 . 4.000 2.512 2.246 3.008 . 0 0 "[ . 1 ]" 1
538 1 29 VAL MG2 1 46 TYR QD 0.000 . 6.000 5.843 5.609 6.041 0.041 4 0 "[ . 1 ]" 1
539 1 84 VAL MG2 1 118 PHE QE 0.000 . 4.000 2.913 1.713 3.932 . 0 0 "[ . 1 ]" 1
540 1 84 VAL MG2 1 118 PHE HZ 0.000 . 5.000 3.524 2.570 4.519 . 0 0 "[ . 1 ]" 1
541 1 16 HIS HD2 1 40 PHE HZ 0.000 . 4.000 3.837 3.466 4.012 0.012 3 0 "[ . 1 ]" 1
542 1 16 HIS HB3 1 40 PHE HZ 0.000 . 5.000 4.979 4.721 5.024 0.024 14 0 "[ . 1 ]" 1
543 1 16 HIS HB2 1 40 PHE HZ 0.000 . 5.000 4.033 3.590 4.880 . 0 0 "[ . 1 ]" 1
544 1 32 ILE MD 1 40 PHE HZ 0.000 . 6.000 5.658 5.156 5.948 . 0 0 "[ . 1 ]" 1
545 1 40 PHE HZ 1 54 HIS HA 0.000 . 6.000 5.747 5.207 6.007 0.007 1 0 "[ . 1 ]" 1
546 1 43 LEU HG 1 47 GLY H 0.000 . 5.000 3.567 3.414 3.798 . 0 0 "[ . 1 ]" 1
547 1 76 ILE MD 1 104 ALA MB 0.000 . 5.000 4.614 4.016 4.967 . 0 0 "[ . 1 ]" 1
548 1 66 ALA MB 1 99 LEU QD 0.000 . 4.000 2.914 1.689 4.005 0.005 14 0 "[ . 1 ]" 1
549 1 66 ALA MB 1 99 LEU H 0.000 . 5.000 4.209 2.910 4.973 . 0 0 "[ . 1 ]" 1
550 1 23 GLN HE21 1 29 VAL MG1 0.000 . 5.000 3.761 2.863 4.275 . 0 0 "[ . 1 ]" 1
551 1 23 GLN HE22 1 29 VAL MG1 0.000 . 5.000 4.523 4.074 4.897 . 0 0 "[ . 1 ]" 1
552 1 23 GLN HE21 1 25 ASP H 0.000 . 5.000 4.346 3.944 4.942 . 0 0 "[ . 1 ]" 1
553 1 23 GLN HE21 1 26 PRO HA 0.000 . 4.000 2.298 1.880 3.297 . 0 0 "[ . 1 ]" 1
554 1 23 GLN HE22 1 26 PRO HA 0.000 . 5.000 2.543 2.206 3.499 . 0 0 "[ . 1 ]" 1
555 1 54 HIS HA 1 56 ALA H 0.000 . 5.000 3.977 3.613 4.331 . 0 0 "[ . 1 ]" 1
556 1 55 GLN HA 1 57 VAL H 0.000 . 4.000 3.603 3.419 3.786 . 0 0 "[ . 1 ]" 1
557 1 22 VAL MG2 1 58 THR H 0.000 . 5.000 3.465 3.072 3.826 . 0 0 "[ . 1 ]" 1
558 1 22 VAL MG1 1 58 THR H 0.000 . 5.000 2.720 1.968 3.513 . 0 0 "[ . 1 ]" 1
559 1 22 VAL HB 1 58 THR H 0.000 . 3.000 2.028 1.879 2.343 . 0 0 "[ . 1 ]" 1
560 1 59 ARG HA 1 60 LYS H 0.000 . 3.000 2.343 2.205 2.924 . 0 0 "[ . 1 ]" 1
561 1 22 VAL MG1 1 60 LYS H 0.000 . 5.000 4.561 3.532 5.002 0.002 3 0 "[ . 1 ]" 1
562 1 66 ALA MB 1 78 VAL QG 0.000 . 4.000 2.439 1.847 3.433 . 0 0 "[ . 1 ]" 1
563 1 112 VAL QG 1 115 GLY H 0.000 . 6.000 3.860 3.311 5.976 . 0 0 "[ . 1 ]" 1
564 1 113 GLU QB 1 115 GLY H 0.000 . 5.000 4.529 4.218 5.005 0.005 14 0 "[ . 1 ]" 1
565 1 53 ARG H 1 56 ALA MB 0.000 . 3.000 2.019 1.806 2.496 . 0 0 "[ . 1 ]" 1
566 1 52 VAL HA 1 56 ALA MB 0.000 . 4.000 3.206 2.624 3.749 . 0 0 "[ . 1 ]" 1
567 1 52 VAL HB 1 56 ALA MB 0.000 . 3.000 1.992 1.717 2.565 . 0 0 "[ . 1 ]" 1
568 1 119 VAL HB 1 120 CYS H 0.000 . 4.000 3.463 2.365 3.971 . 0 0 "[ . 1 ]" 1
569 1 104 ALA MB 1 122 THR MG 0.000 . 3.000 2.111 1.869 2.477 . 0 0 "[ . 1 ]" 1
570 1 68 ALA MB 1 122 THR MG 0.000 . 4.000 3.233 2.607 3.865 . 0 0 "[ . 1 ]" 1
571 1 90 SER HA 1 92 ARG H 0.000 . 4.000 3.242 3.021 3.507 . 0 0 "[ . 1 ]" 1
572 1 72 GLU H 1 74 ASN QD 0.000 . 6.000 4.350 3.974 4.811 . 0 0 "[ . 1 ]" 1
573 1 69 LEU HA 1 70 ASP H 0.000 . 3.000 2.228 2.198 2.296 . 0 0 "[ . 1 ]" 1
574 1 47 GLY HA3 1 119 VAL QG 0.000 . 4.000 3.929 3.667 4.011 0.011 14 0 "[ . 1 ]" 1
575 1 47 GLY HA2 1 119 VAL QG 0.000 . 4.000 3.194 2.856 3.490 . 0 0 "[ . 1 ]" 1
576 1 45 MET HA 1 119 VAL QG 0.000 . 3.000 1.805 1.693 2.373 . 0 0 "[ . 1 ]" 1
577 1 65 PHE H 1 66 ALA H 0.000 . 3.000 2.690 2.371 2.983 . 0 0 "[ . 1 ]" 1
578 1 28 THR HA 1 45 MET ME 0.000 . 3.000 2.430 1.880 2.817 . 0 0 "[ . 1 ]" 1
579 1 45 MET ME 1 46 TYR QE 0.000 . 3.000 2.016 1.785 2.504 . 0 0 "[ . 1 ]" 1
580 1 33 VAL QG 1 41 GLN H 0.000 . 5.000 4.501 3.823 4.890 . 0 0 "[ . 1 ]" 1
581 1 33 VAL QG 1 42 VAL HA 0.000 . 4.000 2.567 2.074 3.447 . 0 0 "[ . 1 ]" 1
582 1 33 VAL QG 1 117 MET HB2 0.000 . 4.000 2.704 1.883 3.568 . 0 0 "[ . 1 ]" 1
583 1 103 PHE H 1 103 PHE QD 0.000 . 3.000 2.859 2.615 3.027 0.027 6 0 "[ . 1 ]" 1
584 1 103 PHE H 1 122 THR MG 0.000 . 4.000 3.679 3.030 4.009 0.009 3 0 "[ . 1 ]" 1
585 1 103 PHE H 1 119 VAL QG 0.000 . 6.000 5.352 5.006 5.723 . 0 0 "[ . 1 ]" 1
586 1 99 LEU QD 1 101 ARG H 0.000 . 6.000 4.238 3.119 5.297 . 0 0 "[ . 1 ]" 1
587 1 68 ALA MB 1 75 ASN HA 0.000 . 6.000 5.610 5.328 5.874 . 0 0 "[ . 1 ]" 1
588 1 66 ALA HA 1 68 ALA MB 0.000 . 6.000 5.884 5.559 6.000 0.000 1 0 "[ . 1 ]" 1
589 1 68 ALA MB 1 101 ARG HA 0.000 . 6.000 4.919 3.528 5.926 . 0 0 "[ . 1 ]" 1
590 1 68 ALA MB 1 77 HIS H 0.000 . 6.000 5.542 4.960 6.000 . 0 0 "[ . 1 ]" 1
591 1 80 ASP HB3 1 96 ILE MD 0.000 . 4.000 2.257 1.982 2.553 . 0 0 "[ . 1 ]" 1
592 1 80 ASP HB2 1 96 ILE MD 0.000 . 4.000 3.503 3.141 3.894 . 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 62
_Distance_constraint_stats_list.Viol_count 106
_Distance_constraint_stats_list.Viol_total 45.087
_Distance_constraint_stats_list.Viol_max 0.096
_Distance_constraint_stats_list.Viol_rms 0.0130
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0304
_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 20 GLU 0.002 0.002 8 0 "[ . 1 ]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 31 VAL 0.278 0.066 13 0 "[ . 1 ]"
1 32 ILE 0.002 0.002 8 0 "[ . 1 ]"
1 40 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 42 VAL 0.022 0.022 13 0 "[ . 1 ]"
1 43 LEU 0.278 0.066 13 0 "[ . 1 ]"
1 44 ASN 1.076 0.096 5 0 "[ . 1 ]"
1 48 LYS 1.076 0.096 5 0 "[ . 1 ]"
1 50 VAL 0.022 0.022 13 0 "[ . 1 ]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 68 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 70 ASP 0.576 0.053 3 0 "[ . 1 ]"
1 74 ASN 0.576 0.053 3 0 "[ . 1 ]"
1 76 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 80 ASP 0.298 0.053 11 0 "[ . 1 ]"
1 82 VAL 0.005 0.002 1 0 "[ . 1 ]"
1 83 LYS 0.001 0.001 9 0 "[ . 1 ]"
1 84 VAL 0.518 0.067 1 0 "[ . 1 ]"
1 92 ARG 0.518 0.067 1 0 "[ . 1 ]"
1 94 GLY 0.005 0.002 1 0 "[ . 1 ]"
1 96 ILE 0.298 0.053 11 0 "[ . 1 ]"
1 98 HIS 0.084 0.039 7 0 "[ . 1 ]"
1 100 PHE 0.216 0.046 8 0 "[ . 1 ]"
1 103 PHE 0.216 0.046 8 0 "[ . 1 ]"
1 104 ALA 0.145 0.033 5 0 "[ . 1 ]"
1 105 PHE 0.084 0.039 7 0 "[ . 1 ]"
1 106 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 118 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 120 CYS 0.145 0.033 5 0 "[ . 1 ]"
1 126 VAL 0.001 0.001 9 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 83 LYS H 1 126 VAL O 0.000 . 2.300 1.754 1.573 1.967 . 0 0 "[ . 1 ]" 2
2 1 83 LYS N 1 126 VAL O 0.000 . 3.300 2.685 2.550 2.938 . 0 0 "[ . 1 ]" 2
3 1 83 LYS O 1 126 VAL H 0.000 . 2.300 1.976 1.581 2.301 0.001 9 0 "[ . 1 ]" 2
4 1 83 LYS O 1 126 VAL N 0.000 . 3.300 2.881 2.540 3.145 . 0 0 "[ . 1 ]" 2
5 1 80 ASP H 1 96 ILE O 0.000 . 2.300 2.321 2.305 2.353 0.053 11 0 "[ . 1 ]" 2
6 1 80 ASP N 1 96 ILE O 0.000 . 3.300 3.226 3.150 3.293 . 0 0 "[ . 1 ]" 2
7 1 80 ASP O 1 96 ILE H 0.000 . 2.300 1.569 1.515 1.621 . 0 0 "[ . 1 ]" 2
8 1 80 ASP O 1 96 ILE N 0.000 . 3.300 2.480 2.417 2.550 . 0 0 "[ . 1 ]" 2
9 1 82 VAL H 1 94 GLY O 0.000 . 2.300 2.137 1.915 2.302 0.002 1 0 "[ . 1 ]" 2
10 1 82 VAL N 1 94 GLY O 0.000 . 3.300 3.043 2.869 3.221 . 0 0 "[ . 1 ]" 2
11 1 82 VAL O 1 94 GLY H 0.000 . 2.300 1.969 1.736 2.073 . 0 0 "[ . 1 ]" 2
12 1 82 VAL O 1 94 GLY N 0.000 . 3.300 2.920 2.717 3.031 . 0 0 "[ . 1 ]" 2
13 1 84 VAL H 1 92 ARG O 0.000 . 2.300 1.656 1.557 1.963 . 0 0 "[ . 1 ]" 2
14 1 84 VAL N 1 92 ARG O 0.000 . 3.300 2.524 2.410 2.774 . 0 0 "[ . 1 ]" 2
15 1 84 VAL O 1 92 ARG H 0.000 . 2.300 2.337 2.309 2.367 0.067 1 0 "[ . 1 ]" 2
16 1 84 VAL O 1 92 ARG N 0.000 . 3.300 3.109 2.955 3.204 . 0 0 "[ . 1 ]" 2
17 1 106 LEU O 1 118 PHE H 0.000 . 2.300 2.040 1.810 2.249 . 0 0 "[ . 1 ]" 2
18 1 106 LEU O 1 118 PHE N 0.000 . 3.300 2.939 2.742 3.116 . 0 0 "[ . 1 ]" 2
19 1 106 LEU H 1 118 PHE O 0.000 . 2.300 1.602 1.509 1.675 . 0 0 "[ . 1 ]" 2
20 1 106 LEU N 1 118 PHE O 0.000 . 3.300 2.544 2.433 2.627 . 0 0 "[ . 1 ]" 2
21 1 100 PHE H 1 103 PHE O 0.000 . 2.300 1.680 1.592 1.888 . 0 0 "[ . 1 ]" 2
22 1 100 PHE N 1 103 PHE O 0.000 . 3.300 2.526 2.412 2.796 . 0 0 "[ . 1 ]" 2
23 1 100 PHE O 1 103 PHE H 0.000 . 2.300 2.139 1.882 2.346 0.046 8 0 "[ . 1 ]" 2
24 1 100 PHE O 1 103 PHE N 0.000 . 3.300 2.940 2.647 3.286 . 0 0 "[ . 1 ]" 2
25 1 98 HIS O 1 105 PHE H 0.000 . 2.300 1.658 1.558 1.920 . 0 0 "[ . 1 ]" 2
26 1 98 HIS O 1 105 PHE N 0.000 . 3.300 2.493 2.426 2.685 . 0 0 "[ . 1 ]" 2
27 1 98 HIS H 1 105 PHE O 0.000 . 2.300 2.261 2.107 2.339 0.039 7 0 "[ . 1 ]" 2
28 1 98 HIS N 1 105 PHE O 0.000 . 3.300 3.167 3.012 3.278 . 0 0 "[ . 1 ]" 2
29 1 104 ALA H 1 120 CYS O 0.000 . 2.300 2.289 2.203 2.310 0.010 12 0 "[ . 1 ]" 2
30 1 104 ALA N 1 120 CYS O 0.000 . 3.300 3.164 3.059 3.264 . 0 0 "[ . 1 ]" 2
31 1 104 ALA O 1 120 CYS H 0.000 . 2.300 2.267 2.161 2.333 0.033 5 0 "[ . 1 ]" 2
32 1 104 ALA O 1 120 CYS N 0.000 . 3.300 3.145 2.987 3.223 . 0 0 "[ . 1 ]" 2
33 1 70 ASP H 1 74 ASN O 0.000 . 2.300 1.655 1.566 1.803 . 0 0 "[ . 1 ]" 2
34 1 70 ASP N 1 74 ASN O 0.000 . 3.300 2.591 2.509 2.744 . 0 0 "[ . 1 ]" 2
35 1 70 ASP O 1 74 ASN H 0.000 . 2.300 2.341 2.332 2.353 0.053 3 0 "[ . 1 ]" 2
36 1 70 ASP O 1 74 ASN N 0.000 . 3.300 3.278 3.268 3.288 . 0 0 "[ . 1 ]" 2
37 1 68 ALA H 1 76 ILE O 0.000 . 2.300 2.188 2.012 2.291 . 0 0 "[ . 1 ]" 2
38 1 68 ALA N 1 76 ILE O 0.000 . 3.300 3.134 2.980 3.253 . 0 0 "[ . 1 ]" 2
39 1 68 ALA O 1 76 ILE H 0.000 . 2.300 2.019 1.834 2.281 . 0 0 "[ . 1 ]" 2
40 1 68 ALA O 1 76 ILE N 0.000 . 3.300 2.881 2.656 3.133 . 0 0 "[ . 1 ]" 2
41 1 40 PHE O 1 52 VAL H 0.000 . 2.300 1.814 1.574 2.217 . 0 0 "[ . 1 ]" 2
42 1 40 PHE O 1 52 VAL N 0.000 . 3.300 2.743 2.504 3.178 . 0 0 "[ . 1 ]" 2
43 1 40 PHE H 1 52 VAL O 0.000 . 2.300 2.009 1.743 2.255 . 0 0 "[ . 1 ]" 2
44 1 40 PHE N 1 52 VAL O 0.000 . 3.300 2.965 2.697 3.194 . 0 0 "[ . 1 ]" 2
45 1 42 VAL O 1 50 VAL H 0.000 . 2.300 2.132 1.821 2.322 0.022 13 0 "[ . 1 ]" 2
46 1 42 VAL O 1 50 VAL N 0.000 . 3.300 3.083 2.778 3.278 . 0 0 "[ . 1 ]" 2
47 1 42 VAL H 1 50 VAL O 0.000 . 2.300 2.225 1.809 2.294 . 0 0 "[ . 1 ]" 2
48 1 42 VAL N 1 50 VAL O 0.000 . 3.300 3.158 2.737 3.260 . 0 0 "[ . 1 ]" 2
49 1 44 ASN O 1 48 LYS H 0.000 . 2.300 2.373 2.350 2.396 0.096 5 0 "[ . 1 ]" 2
50 1 44 ASN O 1 48 LYS N 0.000 . 3.300 3.289 3.251 3.319 0.019 5 0 "[ . 1 ]" 2
51 1 44 ASN H 1 48 LYS O 0.000 . 2.300 1.590 1.556 1.634 . 0 0 "[ . 1 ]" 2
52 1 44 ASN N 1 48 LYS O 0.000 . 3.300 2.475 2.422 2.563 . 0 0 "[ . 1 ]" 2
53 1 31 VAL O 1 43 LEU H 0.000 . 2.300 1.727 1.568 2.051 . 0 0 "[ . 1 ]" 2
54 1 31 VAL O 1 43 LEU N 0.000 . 3.300 2.632 2.481 2.959 . 0 0 "[ . 1 ]" 2
55 1 31 VAL H 1 43 LEU O 0.000 . 2.300 2.305 2.133 2.366 0.066 13 0 "[ . 1 ]" 2
56 1 31 VAL N 1 43 LEU O 0.000 . 3.300 3.113 2.940 3.214 . 0 0 "[ . 1 ]" 2
57 1 22 VAL O 1 30 GLY H 0.000 . 2.300 1.703 1.578 1.887 . 0 0 "[ . 1 ]" 2
58 1 22 VAL O 1 30 GLY N 0.000 . 3.300 2.633 2.544 2.776 . 0 0 "[ . 1 ]" 2
59 1 22 VAL H 1 30 GLY O 0.000 . 2.300 1.614 1.536 1.700 . 0 0 "[ . 1 ]" 2
60 1 22 VAL N 1 30 GLY O 0.000 . 3.300 2.569 2.423 2.681 . 0 0 "[ . 1 ]" 2
61 1 20 GLU O 1 32 ILE H 0.000 . 2.300 1.919 1.573 2.302 0.002 8 0 "[ . 1 ]" 2
62 1 20 GLU O 1 32 ILE N 0.000 . 3.300 2.840 2.516 3.253 . 0 0 "[ . 1 ]" 2
stop_
save_
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