NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
559123 |
2m00   |
18788 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m00
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 193
_Distance_constraint_stats_list.Viol_count 241
_Distance_constraint_stats_list.Viol_total 202.319
_Distance_constraint_stats_list.Viol_max 0.283
_Distance_constraint_stats_list.Viol_rms 0.0137
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0420
_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 5 LYS 0.053 0.029 4 0 "[ . 1 . 2]"
1 6 LYS 0.053 0.029 4 0 "[ . 1 . 2]"
1 7 LEU 0.393 0.076 6 0 "[ . 1 . 2]"
1 8 HIS 0.131 0.060 16 0 "[ . 1 . 2]"
1 9 LYS 0.262 0.076 6 0 "[ . 1 . 2]"
1 10 GLU 0.176 0.067 18 0 "[ . 1 . 2]"
1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LYS 0.304 0.146 1 0 "[ . 1 . 2]"
1 17 ALA 0.304 0.146 1 0 "[ . 1 . 2]"
1 18 ILE 0.004 0.004 13 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 0.308 0.146 1 0 "[ . 1 . 2]"
1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 0.097 0.028 12 0 "[ . 1 . 2]"
1 28 LYS 0.097 0.028 12 0 "[ . 1 . 2]"
1 29 GLY 0.097 0.028 12 0 "[ . 1 . 2]"
1 31 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 MET 0.008 0.008 4 0 "[ . 1 . 2]"
1 33 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LEU 1.686 0.141 18 0 "[ . 1 . 2]"
1 39 VAL 0.051 0.051 8 0 "[ . 1 . 2]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ALA 0.382 0.074 7 0 "[ . 1 . 2]"
1 61 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LYS 0.382 0.074 7 0 "[ . 1 . 2]"
1 64 LYS 0.497 0.077 14 0 "[ . 1 . 2]"
1 65 MET 0.296 0.076 11 0 "[ . 1 . 2]"
1 66 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLU 0.250 0.036 20 0 "[ . 1 . 2]"
1 68 ASN 0.713 0.077 14 0 "[ . 1 . 2]"
1 69 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LYS 0.118 0.032 14 0 "[ . 1 . 2]"
1 71 LYS 1.517 0.093 6 0 "[ . 1 . 2]"
1 72 ILE 1.144 0.093 6 0 "[ . 1 . 2]"
1 73 GLU 0.176 0.067 18 0 "[ . 1 . 2]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLU 0.176 0.067 18 0 "[ . 1 . 2]"
1 76 PHE 0.068 0.062 7 0 "[ . 1 . 2]"
1 77 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LYS 0.524 0.283 9 0 "[ . 1 . 2]"
1 79 GLY 0.066 0.066 13 0 "[ . 1 . 2]"
1 80 GLN 0.117 0.117 13 0 "[ . 1 . 2]"
1 81 ARG 0.066 0.066 13 0 "[ . 1 . 2]"
1 82 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ILE 0.187 0.041 5 0 "[ . 1 . 2]"
1 93 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ASP 0.034 0.025 12 0 "[ . 1 . 2]"
1 96 GLY 0.271 0.085 14 0 "[ . 1 . 2]"
1 97 LYS 0.390 0.159 6 0 "[ . 1 . 2]"
1 98 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 VAL 0.187 0.041 5 0 "[ . 1 . 2]"
1 100 ASN 0.051 0.051 8 0 "[ . 1 . 2]"
1 102 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 LEU 0.966 0.114 15 0 "[ . 1 . 2]"
1 104 VAL 0.142 0.040 3 0 "[ . 1 . 2]"
1 105 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 LEU 0.064 0.027 19 0 "[ . 1 . 2]"
1 109 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 VAL 0.057 0.057 17 0 "[ . 1 . 2]"
1 112 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 LYS 0.151 0.074 6 0 "[ . 1 . 2]"
1 117 PRO 0.117 0.117 13 0 "[ . 1 . 2]"
1 118 ASN 0.066 0.066 13 0 "[ . 1 . 2]"
1 119 ASN 0.151 0.074 6 0 "[ . 1 . 2]"
1 120 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 HIS 0.215 0.112 5 0 "[ . 1 . 2]"
1 122 GLU 1.471 0.141 18 0 "[ . 1 . 2]"
1 123 GLN 0.121 0.076 18 0 "[ . 1 . 2]"
1 124 LEU 0.659 0.112 5 0 "[ . 1 . 2]"
1 125 LEU 0.710 0.112 5 0 "[ . 1 . 2]"
1 126 ARG 0.974 0.076 18 0 "[ . 1 . 2]"
1 127 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 SER 0.444 0.092 13 0 "[ . 1 . 2]"
1 129 GLU 0.797 0.069 3 0 "[ . 1 . 2]"
1 130 ALA 0.534 0.069 3 0 "[ . 1 . 2]"
1 131 GLN 0.934 0.079 20 0 "[ . 1 . 2]"
1 132 ALA 0.366 0.056 1 0 "[ . 1 . 2]"
1 133 LYS 0.581 0.079 20 0 "[ . 1 . 2]"
1 134 LYS 0.400 0.079 20 0 "[ . 1 . 2]"
1 135 GLU 0.050 0.041 4 0 "[ . 1 . 2]"
1 136 LYS 0.050 0.041 4 0 "[ . 1 . 2]"
1 137 LEU 0.050 0.041 4 0 "[ . 1 . 2]"
1 138 ASN 0.105 0.032 9 0 "[ . 1 . 2]"
1 139 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 TRP 0.105 0.032 9 0 "[ . 1 . 2]"
1 141 SER 0.106 0.087 5 0 "[ . 1 . 2]"
1 142 GLU 0.106 0.087 5 0 "[ . 1 . 2]"
1 143 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 111 VAL QG 1 112 ALA H 2.300 . 2.800 2.118 2.019 2.238 . 0 0 "[ . 1 . 2]" 1
2 1 26 MET H 1 27 TYR H 3.150 . 4.500 3.259 3.097 3.389 . 0 0 "[ . 1 . 2]" 1
3 1 16 LYS H 1 17 ALA H 3.150 . 4.500 3.847 3.743 3.929 . 0 0 "[ . 1 . 2]" 1
4 1 16 LYS HA 1 17 ALA H 2.300 . 2.800 2.146 2.008 2.241 . 0 0 "[ . 1 . 2]" 1
5 1 14 LEU HA 1 17 ALA H 3.650 . 5.500 4.877 4.637 5.041 . 0 0 "[ . 1 . 2]" 1
6 1 16 LYS HB3 1 17 ALA H 2.650 . 3.500 3.030 2.584 3.646 0.146 1 0 "[ . 1 . 2]" 1
7 1 14 LEU HG 1 17 ALA H 2.650 . 3.500 3.034 2.179 3.316 . 0 0 "[ . 1 . 2]" 1
8 1 71 LYS HB3 1 72 ILE H 2.300 . 2.800 2.531 2.452 2.596 . 0 0 "[ . 1 . 2]" 1
9 1 71 LYS HG2 1 72 ILE H 2.650 . 3.500 3.557 3.514 3.593 0.093 6 0 "[ . 1 . 2]" 1
10 1 117 PRO QD 1 118 ASN H 3.150 . 4.500 2.885 2.713 3.103 . 0 0 "[ . 1 . 2]" 1
11 1 116 LYS HG2 1 118 ASN H 3.150 . 4.500 3.970 3.289 4.295 . 0 0 "[ . 1 . 2]" 1
12 1 12 ALA HA 1 28 LYS H 2.300 . 2.800 2.128 2.083 2.184 . 0 0 "[ . 1 . 2]" 1
13 1 12 ALA MB 1 28 LYS H 3.150 . 4.500 3.390 3.263 3.479 . 0 0 "[ . 1 . 2]" 1
14 1 66 VAL HA 1 95 ASP H 3.650 . 5.500 4.630 4.393 4.928 . 0 0 "[ . 1 . 2]" 1
15 1 71 LYS HB2 1 95 ASP H 3.150 . 4.500 4.252 3.505 4.509 0.009 18 0 "[ . 1 . 2]" 1
16 1 71 LYS HG3 1 95 ASP H 3.650 . 5.500 3.144 2.341 4.115 . 0 0 "[ . 1 . 2]" 1
17 1 25 LEU H 1 26 MET H 3.150 . 4.500 2.989 2.876 3.049 . 0 0 "[ . 1 . 2]" 1
18 1 13 THR H 1 25 LEU H 3.650 . 5.500 4.838 4.701 4.927 . 0 0 "[ . 1 . 2]" 1
19 1 24 LYS QG 1 25 LEU H 2.650 . 3.500 2.896 2.756 3.032 . 0 0 "[ . 1 . 2]" 1
20 1 97 LYS HB2 1 98 MET H 3.150 . 4.500 4.022 3.728 4.209 . 0 0 "[ . 1 . 2]" 1
21 1 97 LYS QG 1 98 MET H 3.150 . 4.500 4.143 3.586 4.389 . 0 0 "[ . 1 . 2]" 1
22 1 75 GLU HB3 1 76 PHE H 2.650 . 3.500 2.459 2.382 2.501 . 0 0 "[ . 1 . 2]" 1
23 1 7 LEU MD1 1 76 PHE H 3.650 . 5.500 4.857 4.129 5.562 0.062 7 0 "[ . 1 . 2]" 1
24 1 73 GLU QB 1 93 TYR H 3.150 . 4.500 3.364 3.179 3.712 . 0 0 "[ . 1 . 2]" 1
25 1 94 ALA H 1 98 MET HA 3.150 . 4.500 3.420 3.228 3.715 . 0 0 "[ . 1 . 2]" 1
26 1 94 ALA H 1 97 LYS HB3 3.150 . 4.500 4.283 4.123 4.469 . 0 0 "[ . 1 . 2]" 1
27 1 70 LYS H 1 70 LYS QE 3.650 . 5.500 3.523 1.775 4.181 0.025 12 0 "[ . 1 . 2]" 1
28 1 70 LYS H 1 70 LYS QD 2.650 . 3.500 2.340 2.002 2.779 . 0 0 "[ . 1 . 2]" 1
29 1 26 MET HA 1 32 MET H 2.300 . 2.800 2.165 2.127 2.195 . 0 0 "[ . 1 . 2]" 1
30 1 32 MET H 1 32 MET HB3 2.650 . 3.500 2.706 2.541 3.508 0.008 4 0 "[ . 1 . 2]" 1
31 1 24 LYS HB2 1 32 MET H 3.650 . 5.500 4.558 3.992 4.903 . 0 0 "[ . 1 . 2]" 1
32 1 13 THR HB 1 14 LEU H 2.650 . 3.500 2.809 2.791 2.836 . 0 0 "[ . 1 . 2]" 1
33 1 14 LEU MD2 1 15 ILE H 3.150 . 4.500 3.687 1.802 3.910 . 0 0 "[ . 1 . 2]" 1
34 1 89 LEU H 1 89 LEU QD 3.150 . 4.500 3.354 3.246 3.467 . 0 0 "[ . 1 . 2]" 1
35 1 126 ARG HB2 1 129 GLU H 3.150 . 4.500 4.480 4.358 4.556 0.056 1 0 "[ . 1 . 2]" 1
36 1 125 LEU MD2 1 129 GLU H 3.650 . 5.500 4.912 4.763 5.097 . 0 0 "[ . 1 . 2]" 1
37 1 7 LEU MD1 1 120 THR H 3.150 . 4.500 3.577 2.940 4.328 . 0 0 "[ . 1 . 2]" 1
38 1 35 ARG H 1 35 ARG HB3 3.150 . 4.500 2.566 1.919 3.309 . 0 0 "[ . 1 . 2]" 1
39 1 8 HIS QB 1 9 LYS H 2.650 . 3.500 2.935 2.420 3.397 . 0 0 "[ . 1 . 2]" 1
40 1 7 LEU MD1 1 9 LYS H 3.150 . 4.500 3.180 2.233 4.576 0.076 6 0 "[ . 1 . 2]" 1
41 1 32 MET H 1 33 THR H 3.150 . 4.500 3.872 3.821 3.922 . 0 0 "[ . 1 . 2]" 1
42 1 129 GLU HA 1 132 ALA H 2.300 . 2.800 2.596 2.567 2.613 . 0 0 "[ . 1 . 2]" 1
43 1 10 GLU H 1 73 GLU HA 3.150 . 4.500 3.275 3.066 3.458 . 0 0 "[ . 1 . 2]" 1
44 1 10 GLU H 1 73 GLU QB 2.650 . 3.500 3.375 3.021 3.567 0.067 18 0 "[ . 1 . 2]" 1
45 1 72 ILE HG13 1 73 GLU H 3.650 . 5.500 4.903 4.840 4.948 . 0 0 "[ . 1 . 2]" 1
46 1 7 LEU MD1 1 91 TYR H 3.650 . 5.500 4.747 3.835 5.257 . 0 0 "[ . 1 . 2]" 1
47 1 103 LEU H 1 105 ARG H 3.150 . 4.500 3.592 3.467 3.722 . 0 0 "[ . 1 . 2]" 1
48 1 102 ALA MB 1 105 ARG H 3.150 . 4.500 4.040 3.954 4.125 . 0 0 "[ . 1 . 2]" 1
49 1 102 ALA MB 1 105 ARG H 3.150 . 4.500 4.287 4.208 4.371 . 0 0 "[ . 1 . 2]" 1
50 1 13 THR HB 1 26 MET H 3.150 . 4.500 3.113 3.005 3.202 . 0 0 "[ . 1 . 2]" 1
51 1 124 LEU HA 1 127 LYS H 2.650 . 3.500 3.226 3.131 3.305 . 0 0 "[ . 1 . 2]" 1
52 1 5 LYS HB2 1 6 LYS H 2.650 . 3.500 2.927 1.930 3.529 0.029 4 0 "[ . 1 . 2]" 1
53 1 6 LYS HB3 1 7 LEU H 2.650 . 3.500 2.307 1.863 3.041 . 0 0 "[ . 1 . 2]" 1
54 1 92 ILE H 1 92 ILE HG12 2.650 . 3.500 3.481 3.263 3.541 0.041 5 0 "[ . 1 . 2]" 1
55 1 123 GLN QG 1 124 LEU H 3.150 . 4.500 3.268 2.106 4.053 . 0 0 "[ . 1 . 2]" 1
56 1 124 LEU H 1 124 LEU HG 3.150 . 4.500 3.986 3.804 4.111 . 0 0 "[ . 1 . 2]" 1
57 1 69 ALA HA 1 71 LYS H 2.650 . 3.500 2.571 2.210 3.055 . 0 0 "[ . 1 . 2]" 1
58 1 70 LYS HB2 1 71 LYS H 2.300 . 2.800 2.368 2.158 2.575 . 0 0 "[ . 1 . 2]" 1
59 1 70 LYS QD 1 71 LYS H 2.650 . 3.500 3.267 1.779 3.532 0.032 14 0 "[ . 1 . 2]" 1
60 1 70 LYS HG2 1 71 LYS H 3.150 . 4.500 2.839 2.350 3.656 . 0 0 "[ . 1 . 2]" 1
61 1 83 ASP H 1 89 LEU QD 3.150 . 4.500 3.029 2.868 3.211 . 0 0 "[ . 1 . 2]" 1
62 1 142 GLU QG 1 143 ASP H 3.650 . 5.500 4.144 2.730 4.758 . 0 0 "[ . 1 . 2]" 1
63 1 67 GLU H 1 68 ASN QB 3.150 . 4.500 4.501 4.355 4.536 0.036 20 0 "[ . 1 . 2]" 1
64 1 141 SER HA 1 142 GLU H 2.300 . 2.800 2.290 1.781 2.887 0.087 5 0 "[ . 1 . 2]" 1
65 1 142 GLU H 1 142 GLU QG 2.650 . 3.500 2.468 2.036 3.389 . 0 0 "[ . 1 . 2]" 1
66 1 94 ALA H 1 97 LYS H 2.650 . 3.500 3.095 2.904 3.213 . 0 0 "[ . 1 . 2]" 1
67 1 97 LYS H 1 97 LYS QG 2.650 . 3.500 2.908 2.220 3.659 0.159 6 0 "[ . 1 . 2]" 1
68 1 68 ASN QB 1 69 ALA H 2.650 . 3.500 3.200 3.016 3.462 . 0 0 "[ . 1 . 2]" 1
69 1 65 MET HG2 1 69 ALA H 3.650 . 5.500 4.878 4.792 5.042 . 0 0 "[ . 1 . 2]" 1
70 1 81 ARG H 1 81 ARG HB3 2.650 . 3.500 2.502 2.293 2.809 . 0 0 "[ . 1 . 2]" 1
71 1 19 ASP H 1 22 THR HB 3.150 . 4.500 2.976 2.154 3.458 . 0 0 "[ . 1 . 2]" 1
72 1 18 ILE HB 1 19 ASP H 2.650 . 3.500 2.430 2.134 2.744 . 0 0 "[ . 1 . 2]" 1
73 1 119 ASN HB3 1 122 GLU H 3.150 . 4.500 4.159 4.068 4.249 . 0 0 "[ . 1 . 2]" 1
74 1 38 LEU QD 1 122 GLU H 2.650 . 3.500 3.343 2.717 3.641 0.141 18 0 "[ . 1 . 2]" 1
75 1 138 ASN HA 1 140 TRP H 2.650 . 3.500 3.479 3.411 3.532 0.032 9 0 "[ . 1 . 2]" 1
76 1 126 ARG QG 1 130 ALA H 2.650 . 3.500 3.515 3.378 3.569 0.069 3 0 "[ . 1 . 2]" 1
77 1 78 LYS H 1 78 LYS QB 2.300 . 2.800 2.649 2.359 3.083 0.283 9 0 "[ . 1 . 2]" 1
78 1 7 LEU QB 1 8 HIS H 2.300 . 2.800 2.344 1.778 2.860 0.060 16 0 "[ . 1 . 2]" 1
79 1 8 HIS H 1 9 LYS QB 4.150 . 6.500 5.790 5.540 6.086 . 0 0 "[ . 1 . 2]" 1
80 1 137 LEU HA 1 138 ASN H 2.300 . 2.800 2.624 2.375 2.773 . 0 0 "[ . 1 . 2]" 1
81 1 123 GLN QG 1 126 ARG H 3.650 . 5.500 5.257 4.983 5.576 0.076 18 0 "[ . 1 . 2]" 1
82 1 111 VAL HB 1 126 ARG H 2.300 . 2.800 2.495 2.191 2.857 0.057 17 0 "[ . 1 . 2]" 1
83 1 125 LEU HB3 1 126 ARG H 2.300 . 2.800 2.353 2.127 2.613 . 0 0 "[ . 1 . 2]" 1
84 1 124 LEU HA 1 125 LEU H 2.650 . 3.500 2.712 2.694 2.735 . 0 0 "[ . 1 . 2]" 1
85 1 124 LEU MD2 1 128 SER H 3.150 . 4.500 4.350 3.924 4.592 0.092 13 0 "[ . 1 . 2]" 1
86 1 38 LEU QD 1 123 GLN H 4.150 . 6.500 4.920 4.380 5.448 . 0 0 "[ . 1 . 2]" 1
87 1 123 GLN H 1 124 LEU MD1 3.650 . 5.500 5.142 4.947 5.401 . 0 0 "[ . 1 . 2]" 1
88 1 118 ASN HD21 1 119 ASN H 3.650 . 5.500 4.082 1.975 5.005 . 0 0 "[ . 1 . 2]" 1
89 1 77 ASP HB3 1 119 ASN H 3.150 . 4.500 3.597 3.243 3.859 . 0 0 "[ . 1 . 2]" 1
90 1 118 ASN HB2 1 119 ASN H 3.150 . 4.500 3.281 2.771 3.435 . 0 0 "[ . 1 . 2]" 1
91 1 131 GLN HB2 1 133 LYS H 3.150 . 4.500 4.449 4.141 4.579 0.079 20 0 "[ . 1 . 2]" 1
92 1 60 ALA HA 1 64 LYS H 3.150 . 4.500 3.319 3.128 3.508 . 0 0 "[ . 1 . 2]" 1
93 1 63 LYS HG3 1 64 LYS H 3.150 . 4.500 3.685 2.556 4.087 . 0 0 "[ . 1 . 2]" 1
94 1 107 GLY HA2 1 137 LEU H 3.150 . 4.500 3.658 3.352 3.876 . 0 0 "[ . 1 . 2]" 1
95 1 135 GLU QB 1 137 LEU H 2.650 . 3.500 3.336 3.015 3.541 0.041 4 0 "[ . 1 . 2]" 1
96 1 132 ALA HA 1 136 LYS H 2.650 . 3.500 3.211 3.156 3.311 . 0 0 "[ . 1 . 2]" 1
97 1 64 LYS HA 1 65 MET H 2.650 . 3.500 2.895 2.835 2.941 . 0 0 "[ . 1 . 2]" 1
98 1 62 THR HA 1 65 MET H 3.150 . 4.500 3.646 3.511 3.784 . 0 0 "[ . 1 . 2]" 1
99 1 65 MET H 1 65 MET HG3 2.650 . 3.500 2.574 2.348 3.159 . 0 0 "[ . 1 . 2]" 1
100 1 64 LYS HB2 1 65 MET H 2.300 . 2.800 2.439 2.260 2.609 . 0 0 "[ . 1 . 2]" 1
101 1 64 LYS QG 1 65 MET H 3.150 . 4.500 3.979 3.509 4.534 0.034 1 0 "[ . 1 . 2]" 1
102 1 102 ALA MB 1 103 LEU H 2.300 . 2.800 2.490 2.451 2.536 . 0 0 "[ . 1 . 2]" 1
103 1 103 LEU H 1 103 LEU QD 2.300 . 2.800 2.808 2.039 2.914 0.114 15 0 "[ . 1 . 2]" 1
104 1 103 LEU H 1 104 VAL H 2.650 . 3.500 2.746 2.647 2.839 . 0 0 "[ . 1 . 2]" 1
105 1 100 ASN HA 1 104 VAL H 3.150 . 4.500 3.761 3.578 4.002 . 0 0 "[ . 1 . 2]" 1
106 1 103 LEU HB2 1 104 VAL H 2.300 . 2.800 1.946 1.852 2.072 . 0 0 "[ . 1 . 2]" 1
107 1 108 LEU H 1 108 LEU HB3 3.150 . 4.500 3.664 3.540 3.820 . 0 0 "[ . 1 . 2]" 1
108 1 108 LEU H 1 108 LEU HB2 2.650 . 3.500 2.562 2.417 2.741 . 0 0 "[ . 1 . 2]" 1
109 1 103 LEU HB2 1 108 LEU H 3.150 . 4.500 3.727 3.618 3.814 . 0 0 "[ . 1 . 2]" 1
110 1 16 LYS H 1 17 ALA H 3.150 . 4.500 3.187 3.077 3.269 . 0 0 "[ . 1 . 2]" 1
111 1 14 LEU HA 1 16 LYS H 2.650 . 3.500 3.420 3.355 3.454 . 0 0 "[ . 1 . 2]" 1
112 1 15 ILE HB 1 16 LYS H 2.300 . 2.800 2.242 2.120 2.395 . 0 0 "[ . 1 . 2]" 1
113 1 14 LEU MD2 1 16 LYS H 3.150 . 4.500 3.769 2.846 4.047 . 0 0 "[ . 1 . 2]" 1
114 1 68 ASN H 1 68 ASN QB 2.300 . 2.800 2.354 2.309 2.403 . 0 0 "[ . 1 . 2]" 1
115 1 119 ASN HB2 1 121 HIS H 3.650 . 5.500 4.392 4.049 5.031 . 0 0 "[ . 1 . 2]" 1
116 1 38 LEU HG 1 121 HIS H 3.150 . 4.500 4.067 3.605 4.612 0.112 5 0 "[ . 1 . 2]" 1
117 1 38 LEU QD 1 121 HIS H 3.150 . 4.500 3.504 2.815 4.165 . 0 0 "[ . 1 . 2]" 1
118 1 22 THR H 1 23 VAL QG 3.150 . 4.500 3.716 3.329 4.000 . 0 0 "[ . 1 . 2]" 1
119 1 106 GLN H 1 108 LEU HB2 3.650 . 5.500 4.776 4.239 5.273 . 0 0 "[ . 1 . 2]" 1
120 1 77 ASP HA 1 79 GLY H 3.150 . 4.500 3.193 2.610 3.643 . 0 0 "[ . 1 . 2]" 1
121 1 78 LYS QB 1 79 GLY H 3.150 . 4.500 3.723 2.886 3.953 . 0 0 "[ . 1 . 2]" 1
122 1 98 MET HA 1 100 ASN H 3.150 . 4.500 3.231 3.060 3.347 . 0 0 "[ . 1 . 2]" 1
123 1 92 ILE HB 1 100 ASN H 3.150 . 4.500 3.937 3.732 4.286 . 0 0 "[ . 1 . 2]" 1
124 1 99 VAL QG 1 100 ASN H 2.650 . 3.500 3.130 2.940 3.294 . 0 0 "[ . 1 . 2]" 1
125 1 39 VAL MG2 1 100 ASN H 3.150 . 4.500 4.279 4.120 4.551 0.051 8 0 "[ . 1 . 2]" 1
126 1 13 THR H 1 25 LEU HB3 3.150 . 4.500 4.059 3.904 4.211 . 0 0 "[ . 1 . 2]" 1
127 1 107 GLY H 1 108 LEU HB2 3.650 . 5.500 4.423 3.833 4.853 . 0 0 "[ . 1 . 2]" 1
128 1 81 ARG HB3 1 82 THR H 3.150 . 4.500 2.999 2.672 3.218 . 0 0 "[ . 1 . 2]" 1
129 1 38 LEU HB2 1 39 VAL H 2.650 . 3.500 3.096 2.866 3.423 . 0 0 "[ . 1 . 2]" 1
130 1 28 LYS HA 1 29 GLY H 2.300 . 2.800 2.230 2.209 2.253 . 0 0 "[ . 1 . 2]" 1
131 1 27 TYR HB2 1 29 GLY H 3.650 . 5.500 5.425 5.101 5.528 0.028 12 0 "[ . 1 . 2]" 1
132 1 94 ALA H 1 99 VAL H 3.150 . 4.500 3.166 2.931 3.338 . 0 0 "[ . 1 . 2]" 1
133 1 92 ILE H 1 99 VAL H 3.650 . 5.500 4.096 3.868 4.440 . 0 0 "[ . 1 . 2]" 1
134 1 92 ILE HB 1 99 VAL H 3.150 . 4.500 3.962 3.758 4.264 . 0 0 "[ . 1 . 2]" 1
135 1 104 VAL QG 1 140 TRP HE1 3.650 . 5.500 3.900 3.639 4.199 . 0 0 "[ . 1 . 2]" 1
136 1 106 GLN HA 1 138 ASN HD22 3.650 . 5.500 4.036 2.506 4.792 . 0 0 "[ . 1 . 2]" 1
137 1 68 ASN QB 1 68 ASN HD21 2.650 . 3.500 2.203 2.137 2.275 . 0 0 "[ . 1 . 2]" 1
138 1 68 ASN QB 1 68 ASN HD22 2.650 . 3.500 3.270 3.192 3.308 . 0 0 "[ . 1 . 2]" 1
139 1 64 LYS HB2 1 68 ASN HD21 3.150 . 4.500 4.354 4.028 4.576 0.076 11 0 "[ . 1 . 2]" 1
140 1 64 LYS QG 1 68 ASN HD21 3.150 . 4.500 3.664 2.344 4.577 0.077 14 0 "[ . 1 . 2]" 1
141 1 64 LYS QG 1 68 ASN HD22 3.150 . 4.500 3.591 2.337 4.507 0.007 18 0 "[ . 1 . 2]" 1
142 1 116 LYS QB 1 119 ASN HD21 3.150 . 4.500 3.946 2.934 4.574 0.074 6 0 "[ . 1 . 2]" 1
143 1 115 TYR H 1 116 LYS H 3.650 . 5.500 3.862 3.560 4.110 . 0 0 "[ . 1 . 2]" 1
144 1 108 LEU H 1 140 TRP HE1 3.650 . 5.500 4.358 4.093 4.630 . 0 0 "[ . 1 . 2]" 1
145 1 38 LEU HB2 1 112 ALA H 3.150 . 4.500 3.797 3.660 3.898 . 0 0 "[ . 1 . 2]" 1
146 1 38 LEU HB3 1 112 ALA H 3.650 . 5.500 3.926 3.477 4.322 . 0 0 "[ . 1 . 2]" 1
147 1 118 ASN H 1 118 ASN QB 2.650 . 3.500 2.417 2.034 2.500 . 0 0 "[ . 1 . 2]" 1
148 1 117 PRO HG3 1 118 ASN H 3.650 . 5.500 4.643 3.718 4.829 . 0 0 "[ . 1 . 2]" 1
149 1 38 LEU QD 1 118 ASN H 3.650 . 5.500 4.775 4.533 5.145 . 0 0 "[ . 1 . 2]" 1
150 1 16 LYS QD 1 24 LYS H 2.650 . 3.500 2.879 2.804 2.986 . 0 0 "[ . 1 . 2]" 1
151 1 24 LYS QE 1 25 LEU H 3.650 . 5.500 4.989 4.730 5.124 . 0 0 "[ . 1 . 2]" 1
152 1 9 LYS HG3 1 76 PHE H 3.650 . 5.500 4.576 4.240 4.744 . 0 0 "[ . 1 . 2]" 1
153 1 72 ILE MG 1 94 ALA H 3.150 . 4.500 3.875 3.780 4.031 . 0 0 "[ . 1 . 2]" 1
154 1 80 GLN H 1 117 PRO QD 3.150 . 4.500 3.303 2.645 4.617 0.117 13 0 "[ . 1 . 2]" 1
155 1 23 VAL QG 1 35 ARG H 3.650 . 5.500 4.662 4.254 5.374 . 0 0 "[ . 1 . 2]" 1
156 1 9 LYS H 1 9 LYS QE 3.150 . 4.500 3.571 2.396 4.493 . 0 0 "[ . 1 . 2]" 1
157 1 18 ILE H 1 18 ILE MD 2.300 . 2.800 2.654 2.469 2.804 0.004 13 0 "[ . 1 . 2]" 1
158 1 132 ALA H 1 133 LYS HB2 3.150 . 4.500 4.471 4.339 4.528 0.028 18 0 "[ . 1 . 2]" 1
159 1 11 PRO HA 1 73 GLU H 3.150 . 4.500 3.610 3.464 3.705 . 0 0 "[ . 1 . 2]" 1
160 1 72 ILE HB 1 73 GLU H 2.650 . 3.500 3.262 3.161 3.336 . 0 0 "[ . 1 . 2]" 1
161 1 60 ALA H 1 63 LYS QB 3.150 . 4.500 4.485 4.350 4.574 0.074 7 0 "[ . 1 . 2]" 1
162 1 14 LEU HB3 1 26 MET H 4.150 . 6.500 5.525 5.433 5.633 . 0 0 "[ . 1 . 2]" 1
163 1 5 LYS HB3 1 6 LYS H 3.150 . 4.500 2.702 1.795 3.600 0.005 13 0 "[ . 1 . 2]" 1
164 1 131 GLN HA 1 134 LYS H 2.300 . 2.800 2.733 2.704 2.771 . 0 0 "[ . 1 . 2]" 1
165 1 60 ALA HA 1 61 PHE H 2.300 . 2.800 2.700 2.674 2.730 . 0 0 "[ . 1 . 2]" 1
166 1 61 PHE H 1 103 LEU QD 3.650 . 5.500 4.634 4.286 4.931 . 0 0 "[ . 1 . 2]" 1
167 1 83 ASP H 1 83 ASP HB3 3.150 . 4.500 2.081 1.823 2.741 . 0 0 "[ . 1 . 2]" 1
168 1 64 LYS HA 1 67 GLU H 2.650 . 3.500 2.748 2.661 2.797 . 0 0 "[ . 1 . 2]" 1
169 1 66 VAL HB 1 67 GLU H 2.650 . 3.500 3.284 3.190 3.328 . 0 0 "[ . 1 . 2]" 1
170 1 17 ALA MB 1 19 ASP H 3.150 . 4.500 3.538 3.237 3.805 . 0 0 "[ . 1 . 2]" 1
171 1 62 THR H 1 103 LEU QD 3.150 . 4.500 3.070 2.793 3.321 . 0 0 "[ . 1 . 2]" 1
172 1 38 LEU HB2 1 122 GLU H 3.150 . 4.500 4.049 3.587 4.594 0.094 14 0 "[ . 1 . 2]" 1
173 1 124 LEU QB 1 125 LEU H 2.300 . 2.800 2.022 1.933 2.128 . 0 0 "[ . 1 . 2]" 1
174 1 10 GLU HB3 1 74 VAL H 3.650 . 5.500 4.286 4.159 4.483 . 0 0 "[ . 1 . 2]" 1
175 1 73 GLU HB3 1 74 VAL H 3.150 . 4.500 2.922 2.726 3.034 . 0 0 "[ . 1 . 2]" 1
176 1 123 GLN H 1 124 LEU QB 3.150 . 4.500 3.941 3.839 4.071 . 0 0 "[ . 1 . 2]" 1
177 1 129 GLU HA 1 133 LYS H 2.650 . 3.500 3.315 3.289 3.354 . 0 0 "[ . 1 . 2]" 1
178 1 104 VAL QG 1 133 LYS H 3.150 . 4.500 4.463 4.364 4.540 0.040 3 0 "[ . 1 . 2]" 1
179 1 102 ALA H 1 104 VAL H 3.650 . 5.500 3.995 3.883 4.137 . 0 0 "[ . 1 . 2]" 1
180 1 104 VAL H 1 108 LEU HB2 3.650 . 5.500 5.253 4.819 5.527 0.027 19 0 "[ . 1 . 2]" 1
181 1 15 ILE HG13 1 16 LYS H 3.150 . 4.500 3.668 3.101 3.869 . 0 0 "[ . 1 . 2]" 1
182 1 103 LEU QD 1 106 GLN H 3.650 . 5.500 4.907 4.752 5.110 . 0 0 "[ . 1 . 2]" 1
183 1 79 GLY H 1 117 PRO QD 3.650 . 5.500 4.473 4.052 5.342 . 0 0 "[ . 1 . 2]" 1
184 1 32 MET HG3 1 88 GLY H 3.650 . 5.500 4.074 3.768 4.546 . 0 0 "[ . 1 . 2]" 1
185 1 79 GLY H 1 118 ASN HD22 3.650 . 5.500 3.763 2.962 5.053 . 0 0 "[ . 1 . 2]" 1
186 1 79 GLY H 1 118 ASN HD22 3.150 . 4.500 3.611 2.932 4.566 0.066 13 0 "[ . 1 . 2]" 1
187 1 77 ASP HB2 1 118 ASN HD21 3.650 . 5.500 3.302 2.424 5.299 . 0 0 "[ . 1 . 2]" 1
188 1 81 ARG HG2 1 82 THR H 3.150 . 4.500 3.726 3.595 4.002 . 0 0 "[ . 1 . 2]" 1
189 1 71 LYS HB2 1 96 GLY H 3.150 . 4.500 4.120 2.809 4.585 0.085 14 0 "[ . 1 . 2]" 1
190 1 133 LYS HG3 1 140 TRP HE1 3.650 . 5.500 3.362 3.030 4.193 . 0 0 "[ . 1 . 2]" 1
191 1 64 LYS HA 1 68 ASN HD21 3.150 . 4.500 3.005 2.717 3.428 . 0 0 "[ . 1 . 2]" 1
192 1 107 GLY HA3 1 108 LEU H 2.650 . 3.500 2.802 2.787 2.819 . 0 0 "[ . 1 . 2]" 1
193 1 18 ILE MD 1 19 ASP H 2.650 . 3.500 3.248 2.905 3.419 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 3
_Distance_constraint_stats_list.Viol_count 18
_Distance_constraint_stats_list.Viol_total 10.887
_Distance_constraint_stats_list.Viol_max 0.072
_Distance_constraint_stats_list.Viol_rms 0.0196
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.0302
_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 8 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 0.118 0.072 13 0 "[ . 1 . 2]"
1 34 PHE 0.118 0.072 13 0 "[ . 1 . 2]"
1 73 GLU 0.426 0.071 20 0 "[ . 1 . 2]"
1 75 GLU 0.426 0.071 20 0 "[ . 1 . 2]"
1 93 TYR 0.426 0.071 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 73 GLU QB 1 93 TYR QD 2.300 . 2.800 2.806 2.661 2.871 0.071 20 0 "[ . 1 . 2]" 2
2 1 27 TYR QE 1 34 PHE HZ 2.650 . 3.500 3.384 3.223 3.572 0.072 13 0 "[ . 1 . 2]" 2
3 1 8 HIS QB 1 8 HIS HD2 2.650 . 3.500 2.940 2.858 3.271 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 1362
_Distance_constraint_stats_list.Viol_count 1451
_Distance_constraint_stats_list.Viol_total 950.924
_Distance_constraint_stats_list.Viol_max 0.397
_Distance_constraint_stats_list.Viol_rms 0.0101
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0328
_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 4 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LYS 0.184 0.142 15 0 "[ . 1 . 2]"
1 6 LYS 0.708 0.155 7 0 "[ . 1 . 2]"
1 7 LEU 1.300 0.155 7 0 "[ . 1 . 2]"
1 8 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 2.255 0.113 1 0 "[ . 1 . 2]"
1 10 GLU 1.510 0.113 1 0 "[ . 1 . 2]"
1 11 PRO 0.043 0.014 3 0 "[ . 1 . 2]"
1 12 ALA 0.164 0.052 4 0 "[ . 1 . 2]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.454 0.347 11 0 "[ . 1 . 2]"
1 15 ILE 0.347 0.347 11 0 "[ . 1 . 2]"
1 16 LYS 0.707 0.076 3 0 "[ . 1 . 2]"
1 17 ALA 0.432 0.058 12 0 "[ . 1 . 2]"
1 18 ILE 0.063 0.018 13 0 "[ . 1 . 2]"
1 19 ASP 0.070 0.024 8 0 "[ . 1 . 2]"
1 20 GLY 0.747 0.098 15 0 "[ . 1 . 2]"
1 21 ASP 0.012 0.012 3 0 "[ . 1 . 2]"
1 22 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 0.341 0.028 16 0 "[ . 1 . 2]"
1 24 LYS 1.800 0.093 18 0 "[ . 1 . 2]"
1 25 LEU 0.328 0.053 13 0 "[ . 1 . 2]"
1 26 MET 0.211 0.021 2 0 "[ . 1 . 2]"
1 27 TYR 0.516 0.049 4 0 "[ . 1 . 2]"
1 28 LYS 0.297 0.063 12 0 "[ . 1 . 2]"
1 29 GLY 0.279 0.042 10 0 "[ . 1 . 2]"
1 30 GLN 0.412 0.063 12 0 "[ . 1 . 2]"
1 31 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 MET 1.162 0.090 4 0 "[ . 1 . 2]"
1 33 THR 1.003 0.076 15 0 "[ . 1 . 2]"
1 34 PHE 0.834 0.093 18 0 "[ . 1 . 2]"
1 35 ARG 0.531 0.055 13 0 "[ . 1 . 2]"
1 38 LEU 0.215 0.111 19 0 "[ . 1 . 2]"
1 39 VAL 0.043 0.029 18 0 "[ . 1 . 2]"
1 40 ASP 0.043 0.029 18 0 "[ . 1 . 2]"
1 41 THR 0.045 0.030 1 0 "[ . 1 . 2]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ALA 0.980 0.098 15 0 "[ . 1 . 2]"
1 59 SER 0.022 0.012 3 0 "[ . 1 . 2]"
1 60 ALA 0.142 0.032 7 0 "[ . 1 . 2]"
1 61 PHE 0.017 0.011 8 0 "[ . 1 . 2]"
1 62 THR 0.178 0.057 11 0 "[ . 1 . 2]"
1 63 LYS 1.049 0.077 7 0 "[ . 1 . 2]"
1 64 LYS 0.770 0.077 7 0 "[ . 1 . 2]"
1 65 MET 1.803 0.132 11 0 "[ . 1 . 2]"
1 66 VAL 2.003 0.132 11 0 "[ . 1 . 2]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ASN 0.251 0.065 17 0 "[ . 1 . 2]"
1 69 ALA 1.404 0.070 7 0 "[ . 1 . 2]"
1 70 LYS 2.125 0.099 3 0 "[ . 1 . 2]"
1 71 LYS 0.881 0.076 4 0 "[ . 1 . 2]"
1 72 ILE 0.245 0.076 4 0 "[ . 1 . 2]"
1 73 GLU 0.355 0.053 13 0 "[ . 1 . 2]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLU 1.908 0.075 12 0 "[ . 1 . 2]"
1 76 PHE 0.599 0.089 9 0 "[ . 1 . 2]"
1 77 ASP 0.945 0.397 9 0 "[ . 1 . 2]"
1 78 LYS 0.569 0.164 17 0 "[ . 1 . 2]"
1 79 GLY 0.946 0.397 9 0 "[ . 1 . 2]"
1 80 GLN 3.013 0.150 13 0 "[ . 1 . 2]"
1 81 ARG 1.084 0.136 14 0 "[ . 1 . 2]"
1 82 THR 0.922 0.091 15 0 "[ . 1 . 2]"
1 83 ASP 1.503 0.124 17 0 "[ . 1 . 2]"
1 85 TYR 0.047 0.047 14 0 "[ . 1 . 2]"
1 86 GLY 0.058 0.019 17 0 "[ . 1 . 2]"
1 87 ARG 0.757 0.119 3 0 "[ . 1 . 2]"
1 88 GLY 0.228 0.090 4 0 "[ . 1 . 2]"
1 89 LEU 1.448 0.092 9 0 "[ . 1 . 2]"
1 90 ALA 0.048 0.031 6 0 "[ . 1 . 2]"
1 91 TYR 1.393 0.115 9 0 "[ . 1 . 2]"
1 92 ILE 0.974 0.069 15 0 "[ . 1 . 2]"
1 93 TYR 0.050 0.023 4 0 "[ . 1 . 2]"
1 94 ALA 1.411 0.086 16 0 "[ . 1 . 2]"
1 95 ASP 0.212 0.030 12 0 "[ . 1 . 2]"
1 96 GLY 0.261 0.033 19 0 "[ . 1 . 2]"
1 97 LYS 0.409 0.075 19 0 "[ . 1 . 2]"
1 98 MET 0.224 0.052 11 0 "[ . 1 . 2]"
1 99 VAL 0.186 0.035 9 0 "[ . 1 . 2]"
1 100 ASN 0.687 0.115 9 0 "[ . 1 . 2]"
1 101 GLU 0.431 0.085 6 0 "[ . 1 . 2]"
1 102 ALA 0.577 0.072 16 0 "[ . 1 . 2]"
1 103 LEU 0.719 0.131 9 0 "[ . 1 . 2]"
1 104 VAL 0.583 0.131 9 0 "[ . 1 . 2]"
1 105 ARG 0.789 0.093 9 0 "[ . 1 . 2]"
1 106 GLN 1.936 0.125 16 0 "[ . 1 . 2]"
1 107 GLY 1.605 0.087 17 0 "[ . 1 . 2]"
1 108 LEU 1.542 0.175 18 0 "[ . 1 . 2]"
1 109 ALA 0.550 0.093 16 0 "[ . 1 . 2]"
1 110 LYS 0.077 0.077 3 0 "[ . 1 . 2]"
1 111 VAL 0.859 0.079 3 0 "[ . 1 . 2]"
1 112 ALA 0.289 0.045 4 0 "[ . 1 . 2]"
1 114 VAL 0.056 0.041 9 0 "[ . 1 . 2]"
1 115 TYR 0.044 0.033 12 0 "[ . 1 . 2]"
1 116 LYS 0.285 0.061 19 0 "[ . 1 . 2]"
1 117 PRO 0.095 0.026 20 0 "[ . 1 . 2]"
1 118 ASN 1.406 0.150 13 0 "[ . 1 . 2]"
1 119 ASN 0.545 0.065 13 0 "[ . 1 . 2]"
1 120 THR 0.689 0.111 19 0 "[ . 1 . 2]"
1 121 HIS 0.283 0.035 17 0 "[ . 1 . 2]"
1 122 GLU 1.075 0.096 16 0 "[ . 1 . 2]"
1 123 GLN 0.789 0.132 7 0 "[ . 1 . 2]"
1 124 LEU 1.048 0.087 17 0 "[ . 1 . 2]"
1 125 LEU 0.866 0.087 17 0 "[ . 1 . 2]"
1 126 ARG 0.966 0.107 9 0 "[ . 1 . 2]"
1 127 LYS 3.290 0.120 17 0 "[ . 1 . 2]"
1 128 SER 2.003 0.120 17 0 "[ . 1 . 2]"
1 129 GLU 1.407 0.089 18 0 "[ . 1 . 2]"
1 130 ALA 1.359 0.089 18 0 "[ . 1 . 2]"
1 131 GLN 0.760 0.093 9 0 "[ . 1 . 2]"
1 132 ALA 0.292 0.052 2 0 "[ . 1 . 2]"
1 133 LYS 0.771 0.043 18 0 "[ . 1 . 2]"
1 134 LYS 0.244 0.076 12 0 "[ . 1 . 2]"
1 135 GLU 0.711 0.076 12 0 "[ . 1 . 2]"
1 136 LYS 0.359 0.085 2 0 "[ . 1 . 2]"
1 137 LEU 2.398 0.125 16 0 "[ . 1 . 2]"
1 138 ASN 0.476 0.077 18 0 "[ . 1 . 2]"
1 139 ILE 1.627 0.175 18 0 "[ . 1 . 2]"
1 140 TRP 1.704 0.143 7 0 "[ . 1 . 2]"
1 141 SER 0.481 0.062 7 0 "[ . 1 . 2]"
1 142 GLU 1.016 0.106 16 0 "[ . 1 . 2]"
1 143 ASP 0.240 0.107 13 0 "[ . 1 . 2]"
1 144 ASN 0.020 0.020 1 0 "[ . 1 . 2]"
1 145 ALA 0.065 0.035 2 0 "[ . 1 . 2]"
1 146 ASP 0.065 0.035 2 0 "[ . 1 . 2]"
1 147 SER 0.052 0.036 16 0 "[ . 1 . 2]"
1 148 GLY 0.052 0.036 16 0 "[ . 1 . 2]"
1 149 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 111 VAL H 1 112 ALA H 3.650 . 4.500 4.488 4.313 4.545 0.045 4 0 "[ . 1 . 2]" 3
2 1 39 VAL H 1 112 ALA H 3.650 . 5.500 4.390 4.124 4.765 . 0 0 "[ . 1 . 2]" 3
3 1 38 LEU HA 1 112 ALA H 3.650 . 5.500 3.672 3.206 4.391 . 0 0 "[ . 1 . 2]" 3
4 1 40 ASP HB3 1 112 ALA H 3.650 . 5.500 4.889 4.394 5.320 . 0 0 "[ . 1 . 2]" 3
5 1 112 ALA H 1 114 VAL MG2 3.650 . 5.500 4.156 3.433 4.913 . 0 0 "[ . 1 . 2]" 3
6 1 114 VAL HB 1 115 TYR H 3.650 . 5.500 4.168 3.970 4.418 . 0 0 "[ . 1 . 2]" 3
7 1 38 LEU MD1 1 115 TYR H 3.650 . 5.500 3.295 2.522 3.935 . 0 0 "[ . 1 . 2]" 3
8 1 114 VAL MG1 1 115 TYR H 3.650 . 5.500 2.699 2.339 3.296 . 0 0 "[ . 1 . 2]" 3
9 1 114 VAL MG2 1 115 TYR H 3.650 . 5.500 4.009 3.912 4.142 . 0 0 "[ . 1 . 2]" 3
10 1 27 TYR H 1 28 LYS H 3.650 . 5.500 4.093 3.989 4.258 . 0 0 "[ . 1 . 2]" 3
11 1 27 TYR H 1 29 GLY H 3.650 . 5.500 3.954 3.844 4.116 . 0 0 "[ . 1 . 2]" 3
12 1 17 ALA H 1 63 LYS HA 3.650 . 5.500 5.053 4.687 5.488 . 0 0 "[ . 1 . 2]" 3
13 1 16 LYS QD 1 17 ALA H 3.650 . 5.500 4.638 3.051 5.375 . 0 0 "[ . 1 . 2]" 3
14 1 17 ALA H 1 63 LYS HG2 3.650 . 5.500 5.439 5.032 5.558 0.058 12 0 "[ . 1 . 2]" 3
15 1 72 ILE H 1 95 ASP H 3.650 . 5.500 4.652 4.360 4.780 . 0 0 "[ . 1 . 2]" 3
16 1 72 ILE H 1 73 GLU H 3.650 . 4.500 4.326 4.170 4.479 . 0 0 "[ . 1 . 2]" 3
17 1 12 ALA H 1 72 ILE H 3.650 . 5.500 3.736 3.337 4.189 . 0 0 "[ . 1 . 2]" 3
18 1 72 ILE H 1 94 ALA HA 3.650 . 5.500 5.259 5.002 5.435 . 0 0 "[ . 1 . 2]" 3
19 1 72 ILE H 1 72 ILE MD 3.650 . 5.500 3.923 3.708 4.133 . 0 0 "[ . 1 . 2]" 3
20 1 115 TYR QB 1 118 ASN H 3.650 . 5.500 4.450 3.791 4.876 . 0 0 "[ . 1 . 2]" 3
21 1 117 PRO HB3 1 118 ASN H 3.650 . 5.500 4.647 4.508 4.726 . 0 0 "[ . 1 . 2]" 3
22 1 28 LYS H 1 30 GLN H 3.650 . 5.500 4.170 4.045 4.257 . 0 0 "[ . 1 . 2]" 3
23 1 28 LYS H 1 29 GLY HA3 3.650 . 5.500 5.309 5.233 5.415 . 0 0 "[ . 1 . 2]" 3
24 1 27 TYR HB3 1 28 LYS H 3.650 . 5.500 4.418 4.235 4.506 . 0 0 "[ . 1 . 2]" 3
25 1 28 LYS H 1 28 LYS QD 3.650 . 5.500 4.657 4.445 4.808 . 0 0 "[ . 1 . 2]" 3
26 1 70 LYS H 1 95 ASP H 3.650 . 5.500 4.398 4.147 4.925 . 0 0 "[ . 1 . 2]" 3
27 1 94 ALA H 1 95 ASP H 3.650 . 4.500 4.078 4.011 4.125 . 0 0 "[ . 1 . 2]" 3
28 1 95 ASP H 1 97 LYS H 3.650 . 5.500 4.091 3.964 4.212 . 0 0 "[ . 1 . 2]" 3
29 1 95 ASP H 1 96 GLY HA2 3.650 . 5.500 4.947 4.617 5.505 0.005 19 0 "[ . 1 . 2]" 3
30 1 23 VAL H 1 24 LYS H 3.650 . 5.500 4.379 4.271 4.427 . 0 0 "[ . 1 . 2]" 3
31 1 15 ILE H 1 24 LYS H 3.650 . 5.500 4.388 4.266 4.506 . 0 0 "[ . 1 . 2]" 3
32 1 15 ILE H 1 25 LEU H 3.650 . 5.500 4.538 4.455 4.895 . 0 0 "[ . 1 . 2]" 3
33 1 14 LEU HA 1 25 LEU H 3.650 . 5.500 5.006 4.722 5.186 . 0 0 "[ . 1 . 2]" 3
34 1 25 LEU H 1 25 LEU MD2 3.650 . 5.500 3.968 3.825 4.041 . 0 0 "[ . 1 . 2]" 3
35 1 98 MET H 1 99 VAL H 3.650 . 5.500 4.346 4.099 4.421 . 0 0 "[ . 1 . 2]" 3
36 1 98 MET H 1 101 GLU H 4.150 . 6.500 5.145 4.823 5.413 . 0 0 "[ . 1 . 2]" 3
37 1 93 TYR HA 1 98 MET H 3.650 . 5.500 4.357 4.011 4.675 . 0 0 "[ . 1 . 2]" 3
38 1 98 MET H 1 101 GLU HB3 3.650 . 5.500 4.259 3.810 4.813 . 0 0 "[ . 1 . 2]" 3
39 1 75 GLU H 1 91 TYR HB2 3.650 . 5.500 3.281 3.188 3.535 . 0 0 "[ . 1 . 2]" 3
40 1 75 GLU H 1 75 GLU HG3 3.650 . 5.500 4.610 4.557 4.656 . 0 0 "[ . 1 . 2]" 3
41 1 75 GLU H 1 92 ILE MD 3.650 . 5.500 5.547 5.521 5.569 0.069 15 0 "[ . 1 . 2]" 3
42 1 74 VAL MG2 1 75 GLU H 3.650 . 5.500 4.045 3.890 4.107 . 0 0 "[ . 1 . 2]" 3
43 1 10 GLU H 1 76 PHE H 3.650 . 5.500 4.517 4.165 4.924 . 0 0 "[ . 1 . 2]" 3
44 1 76 PHE H 1 77 ASP H 3.650 . 5.500 4.531 4.371 4.586 . 0 0 "[ . 1 . 2]" 3
45 1 76 PHE H 1 90 ALA MB 3.650 . 5.500 3.652 3.380 3.918 . 0 0 "[ . 1 . 2]" 3
46 1 74 VAL MG1 1 76 PHE H 4.150 . 6.500 6.188 5.974 6.320 . 0 0 "[ . 1 . 2]" 3
47 1 74 VAL MG2 1 76 PHE H 3.650 . 5.500 4.228 3.946 4.435 . 0 0 "[ . 1 . 2]" 3
48 1 93 TYR H 1 99 VAL H 3.650 . 5.500 4.654 4.429 4.900 . 0 0 "[ . 1 . 2]" 3
49 1 93 TYR H 1 94 ALA H 3.650 . 4.500 4.293 4.244 4.345 . 0 0 "[ . 1 . 2]" 3
50 1 92 ILE H 1 93 TYR H 3.650 . 5.500 4.383 4.249 4.462 . 0 0 "[ . 1 . 2]" 3
51 1 93 TYR H 1 98 MET HA 3.650 . 5.500 4.660 4.387 5.229 . 0 0 "[ . 1 . 2]" 3
52 1 92 ILE HG13 1 93 TYR H 3.650 . 5.500 4.879 4.800 4.963 . 0 0 "[ . 1 . 2]" 3
53 1 92 ILE HG12 1 93 TYR H 3.650 . 5.500 4.167 4.081 4.287 . 0 0 "[ . 1 . 2]" 3
54 1 74 VAL MG2 1 93 TYR H 4.150 . 6.500 5.662 5.526 5.748 . 0 0 "[ . 1 . 2]" 3
55 1 22 THR HA 1 34 PHE H 3.650 . 5.500 4.451 4.133 4.915 . 0 0 "[ . 1 . 2]" 3
56 1 33 THR HB 1 34 PHE H 3.650 . 5.500 4.007 3.821 4.110 . 0 0 "[ . 1 . 2]" 3
57 1 24 LYS HB2 1 34 PHE H 3.650 . 5.500 4.754 4.598 4.887 . 0 0 "[ . 1 . 2]" 3
58 1 22 THR MG 1 34 PHE H 3.650 . 5.500 3.705 3.319 4.311 . 0 0 "[ . 1 . 2]" 3
59 1 25 LEU MD2 1 34 PHE H 3.650 . 5.500 5.027 4.684 5.522 0.022 13 0 "[ . 1 . 2]" 3
60 1 66 VAL HA 1 94 ALA H 3.650 . 5.500 5.528 5.438 5.586 0.086 16 0 "[ . 1 . 2]" 3
61 1 69 ALA MB 1 94 ALA H 3.650 . 5.500 4.567 4.437 4.683 . 0 0 "[ . 1 . 2]" 3
62 1 70 LYS H 1 95 ASP HB2 3.650 . 5.500 2.760 1.791 3.776 0.009 19 0 "[ . 1 . 2]" 3
63 1 31 PRO QD 1 32 MET H 3.650 . 5.500 4.905 4.838 4.992 . 0 0 "[ . 1 . 2]" 3
64 1 14 LEU H 1 26 MET H 3.650 . 5.500 4.716 4.636 4.765 . 0 0 "[ . 1 . 2]" 3
65 1 14 LEU H 1 15 ILE H 3.650 . 5.500 4.600 4.487 4.640 . 0 0 "[ . 1 . 2]" 3
66 1 14 LEU H 1 25 LEU HA 3.650 . 5.500 5.196 4.971 5.298 . 0 0 "[ . 1 . 2]" 3
67 1 14 LEU H 1 72 ILE HB 3.650 . 5.500 4.285 3.911 4.504 . 0 0 "[ . 1 . 2]" 3
68 1 14 LEU H 1 25 LEU MD2 3.650 . 5.500 4.817 4.547 5.097 . 0 0 "[ . 1 . 2]" 3
69 1 116 LYS H 1 116 LYS QE 3.650 . 5.500 4.541 3.148 5.261 . 0 0 "[ . 1 . 2]" 3
70 1 115 TYR QB 1 116 LYS H 3.150 . 4.500 3.738 2.746 4.012 . 0 0 "[ . 1 . 2]" 3
71 1 114 VAL MG1 1 116 LYS H 3.650 . 5.500 3.411 2.964 4.360 . 0 0 "[ . 1 . 2]" 3
72 1 15 ILE H 1 26 MET H 3.650 . 4.500 3.786 3.441 4.172 . 0 0 "[ . 1 . 2]" 3
73 1 15 ILE H 1 16 LYS HA 3.650 . 5.500 4.464 4.334 4.571 . 0 0 "[ . 1 . 2]" 3
74 1 88 GLY H 1 89 LEU H 3.650 . 5.500 4.594 4.512 4.671 . 0 0 "[ . 1 . 2]" 3
75 1 89 LEU H 1 90 ALA H 3.650 . 5.500 3.990 3.872 4.194 . 0 0 "[ . 1 . 2]" 3
76 1 34 PHE HA 1 89 LEU H 3.650 . 5.500 5.147 5.007 5.275 . 0 0 "[ . 1 . 2]" 3
77 1 76 PHE HA 1 89 LEU H 3.650 . 5.500 5.455 4.731 5.589 0.089 9 0 "[ . 1 . 2]" 3
78 1 81 ARG HA 1 89 LEU H 3.650 . 5.500 3.854 3.531 4.084 . 0 0 "[ . 1 . 2]" 3
79 1 82 THR MG 1 89 LEU H 3.650 . 5.500 3.513 3.278 3.821 . 0 0 "[ . 1 . 2]" 3
80 1 89 LEU H 1 90 ALA MB 3.650 . 5.500 3.972 3.750 4.223 . 0 0 "[ . 1 . 2]" 3
81 1 89 LEU H 1 89 LEU MD2 3.650 . 5.500 3.641 3.458 3.774 . 0 0 "[ . 1 . 2]" 3
82 1 127 LYS H 1 129 GLU H 3.650 . 5.500 3.955 3.759 4.098 . 0 0 "[ . 1 . 2]" 3
83 1 58 ALA H 1 61 PHE HB3 3.650 . 5.500 5.049 4.678 5.372 . 0 0 "[ . 1 . 2]" 3
84 1 58 ALA H 1 61 PHE HB2 3.650 . 5.500 5.054 4.732 5.435 . 0 0 "[ . 1 . 2]" 3
85 1 58 ALA H 1 108 LEU HB3 3.650 . 5.500 3.610 3.052 3.864 . 0 0 "[ . 1 . 2]" 3
86 1 58 ALA H 1 108 LEU MD1 3.650 . 5.500 4.975 3.982 5.564 0.064 15 0 "[ . 1 . 2]" 3
87 1 58 ALA H 1 108 LEU MD2 3.650 . 5.500 2.886 2.597 3.195 . 0 0 "[ . 1 . 2]" 3
88 1 80 GLN H 1 82 THR H 4.150 . 6.500 5.544 5.296 5.770 . 0 0 "[ . 1 . 2]" 3
89 1 80 GLN H 1 118 ASN HA 3.650 . 5.500 4.896 4.442 5.555 0.055 9 0 "[ . 1 . 2]" 3
90 1 80 GLN H 1 117 PRO HG2 3.650 . 5.500 4.320 3.598 4.765 . 0 0 "[ . 1 . 2]" 3
91 1 148 GLY QA 1 149 GLN H 3.650 . 5.500 2.334 2.011 2.930 . 0 0 "[ . 1 . 2]" 3
92 1 120 THR H 1 122 GLU H 3.650 . 5.500 3.863 3.257 4.298 . 0 0 "[ . 1 . 2]" 3
93 1 119 ASN HB3 1 120 THR H 3.650 . 5.500 4.449 3.402 4.668 . 0 0 "[ . 1 . 2]" 3
94 1 120 THR H 1 121 HIS HB2 4.150 . 6.500 4.946 4.335 5.421 . 0 0 "[ . 1 . 2]" 3
95 1 119 ASN HB2 1 120 THR H 3.650 . 5.500 4.378 3.935 4.579 . 0 0 "[ . 1 . 2]" 3
96 1 38 LEU HG 1 120 THR H 3.650 . 5.500 5.302 4.959 5.611 0.111 19 0 "[ . 1 . 2]" 3
97 1 7 LEU MD2 1 120 THR H 3.650 . 5.500 4.469 3.563 5.529 0.029 3 0 "[ . 1 . 2]" 3
98 1 120 THR H 1 120 THR MG 3.650 . 5.500 3.780 3.691 3.908 . 0 0 "[ . 1 . 2]" 3
99 1 35 ARG H 1 90 ALA H 3.650 . 5.500 4.209 3.572 5.513 0.013 6 0 "[ . 1 . 2]" 3
100 1 22 THR HA 1 35 ARG H 3.650 . 5.500 4.808 4.573 5.000 . 0 0 "[ . 1 . 2]" 3
101 1 35 ARG H 1 89 LEU HA 3.650 . 5.500 3.532 2.924 4.458 . 0 0 "[ . 1 . 2]" 3
102 1 35 ARG H 1 35 ARG QG 3.650 . 5.500 4.088 3.580 4.390 . 0 0 "[ . 1 . 2]" 3
103 1 35 ARG H 1 89 LEU HG 3.650 . 5.500 5.158 4.808 5.445 . 0 0 "[ . 1 . 2]" 3
104 1 35 ARG H 1 89 LEU MD2 3.650 . 5.500 3.354 2.798 3.764 . 0 0 "[ . 1 . 2]" 3
105 1 144 ASN HB2 1 145 ALA H 3.650 . 5.500 3.550 2.182 4.432 . 0 0 "[ . 1 . 2]" 3
106 1 9 LYS H 1 10 GLU H 3.650 . 5.500 4.392 4.300 4.460 . 0 0 "[ . 1 . 2]" 3
107 1 8 HIS H 1 9 LYS H 3.650 . 5.500 4.279 4.113 4.463 . 0 0 "[ . 1 . 2]" 3
108 1 9 LYS H 1 75 GLU HA 3.650 . 5.500 4.185 4.008 4.320 . 0 0 "[ . 1 . 2]" 3
109 1 9 LYS H 1 75 GLU HG2 3.650 . 5.500 5.367 4.749 5.573 0.073 1 0 "[ . 1 . 2]" 3
110 1 5 LYS H 1 5 LYS HB2 3.650 . 5.500 3.014 2.435 3.718 . 0 0 "[ . 1 . 2]" 3
111 1 138 ASN H 1 139 ILE H 3.650 . 5.500 3.463 3.322 3.552 . 0 0 "[ . 1 . 2]" 3
112 1 108 LEU HA 1 139 ILE H 3.650 . 5.500 3.654 3.102 4.446 . 0 0 "[ . 1 . 2]" 3
113 1 4 THR MG 1 5 LYS H 3.650 . 5.500 3.569 2.708 4.356 . 0 0 "[ . 1 . 2]" 3
114 1 108 LEU MD1 1 139 ILE H 3.650 . 5.500 5.171 4.607 5.675 0.175 18 0 "[ . 1 . 2]" 3
115 1 25 LEU H 1 33 THR H 3.650 . 5.500 4.978 4.819 5.166 . 0 0 "[ . 1 . 2]" 3
116 1 24 LYS HA 1 33 THR H 3.650 . 5.500 4.450 4.348 4.577 . 0 0 "[ . 1 . 2]" 3
117 1 24 LYS HB2 1 33 THR H 3.650 . 5.500 5.465 5.123 5.554 0.054 16 0 "[ . 1 . 2]" 3
118 1 24 LYS QG 1 33 THR H 3.650 . 5.500 3.489 3.238 3.672 . 0 0 "[ . 1 . 2]" 3
119 1 33 THR H 1 33 THR MG 3.650 . 5.500 3.728 3.662 3.777 . 0 0 "[ . 1 . 2]" 3
120 1 18 ILE H 1 23 VAL H 3.650 . 5.500 4.419 4.244 4.514 . 0 0 "[ . 1 . 2]" 3
121 1 18 ILE H 1 22 THR H 3.650 . 5.500 4.971 4.596 5.400 . 0 0 "[ . 1 . 2]" 3
122 1 18 ILE H 1 22 THR HB 3.650 . 5.500 4.307 3.715 4.834 . 0 0 "[ . 1 . 2]" 3
123 1 18 ILE H 1 24 LYS HB2 3.650 . 5.500 4.908 4.497 5.361 . 0 0 "[ . 1 . 2]" 3
124 1 18 ILE H 1 22 THR MG 3.650 . 5.500 4.130 3.775 4.584 . 0 0 "[ . 1 . 2]" 3
125 1 129 GLU H 1 132 ALA H 3.650 . 5.500 4.658 4.576 4.764 . 0 0 "[ . 1 . 2]" 3
126 1 132 ALA H 1 140 TRP HD1 3.650 . 5.500 5.289 5.039 5.516 0.016 19 0 "[ . 1 . 2]" 3
127 1 132 ALA H 1 134 LYS H 3.650 . 5.500 4.299 4.142 4.469 . 0 0 "[ . 1 . 2]" 3
128 1 132 ALA H 1 135 GLU H 3.650 . 5.500 4.931 4.755 5.096 . 0 0 "[ . 1 . 2]" 3
129 1 132 ALA H 1 133 LYS HA 3.650 . 5.500 5.242 5.192 5.290 . 0 0 "[ . 1 . 2]" 3
130 1 130 ALA MB 1 132 ALA H 3.650 . 5.500 4.604 4.423 4.686 . 0 0 "[ . 1 . 2]" 3
131 1 104 VAL QG 1 132 ALA H 3.650 . 5.500 4.390 4.096 4.771 . 0 0 "[ . 1 . 2]" 3
132 1 132 ALA H 1 133 LYS HG3 4.150 . 6.500 4.566 4.191 4.669 . 0 0 "[ . 1 . 2]" 3
133 1 132 ALA H 1 133 LYS HG2 4.150 . 6.500 6.078 5.658 6.225 . 0 0 "[ . 1 . 2]" 3
134 1 10 GLU H 1 75 GLU H 3.650 . 5.500 4.701 4.555 4.878 . 0 0 "[ . 1 . 2]" 3
135 1 10 GLU H 1 74 VAL HA 3.650 . 5.500 4.470 4.369 4.550 . 0 0 "[ . 1 . 2]" 3
136 1 10 GLU H 1 11 PRO QD 3.650 . 5.500 4.322 4.239 4.410 . 0 0 "[ . 1 . 2]" 3
137 1 10 GLU H 1 74 VAL HB 3.650 . 5.500 4.850 4.686 5.026 . 0 0 "[ . 1 . 2]" 3
138 1 9 LYS HD3 1 10 GLU H 3.650 . 5.500 5.228 4.559 5.609 0.109 4 0 "[ . 1 . 2]" 3
139 1 10 GLU H 1 74 VAL MG1 3.650 . 5.500 4.677 4.494 4.798 . 0 0 "[ . 1 . 2]" 3
140 1 10 GLU H 1 74 VAL MG2 3.650 . 5.500 2.848 2.613 3.017 . 0 0 "[ . 1 . 2]" 3
141 1 39 VAL HA 1 111 VAL H 3.650 . 5.500 4.844 4.615 5.084 . 0 0 "[ . 1 . 2]" 3
142 1 111 VAL H 1 126 ARG HA 3.650 . 5.500 5.213 4.770 5.511 0.011 5 0 "[ . 1 . 2]" 3
143 1 111 VAL H 1 129 GLU HG3 3.650 . 5.500 3.397 3.167 3.636 . 0 0 "[ . 1 . 2]" 3
144 1 110 LYS QD 1 111 VAL H 3.650 . 5.500 4.779 4.333 5.217 . 0 0 "[ . 1 . 2]" 3
145 1 110 LYS HG3 1 111 VAL H 3.650 . 5.500 4.740 2.596 5.194 . 0 0 "[ . 1 . 2]" 3
146 1 110 LYS HG2 1 111 VAL H 3.650 . 5.500 4.390 2.838 5.082 . 0 0 "[ . 1 . 2]" 3
147 1 110 LYS H 1 111 VAL H 3.650 . 5.500 4.461 4.352 4.544 . 0 0 "[ . 1 . 2]" 3
148 1 73 GLU H 1 95 ASP H 3.650 . 5.500 4.219 3.829 4.596 . 0 0 "[ . 1 . 2]" 3
149 1 73 GLU H 1 94 ALA H 3.650 . 5.500 4.975 4.903 5.110 . 0 0 "[ . 1 . 2]" 3
150 1 12 ALA H 1 73 GLU H 3.650 . 5.500 4.814 4.703 5.022 . 0 0 "[ . 1 . 2]" 3
151 1 12 ALA MB 1 73 GLU H 3.650 . 5.500 4.376 4.120 4.820 . 0 0 "[ . 1 . 2]" 3
152 1 77 ASP H 1 78 LYS H 3.650 . 5.500 4.413 3.933 4.610 . 0 0 "[ . 1 . 2]" 3
153 1 77 ASP H 1 91 TYR H 3.650 . 5.500 4.758 4.462 5.086 . 0 0 "[ . 1 . 2]" 3
154 1 7 LEU MD1 1 77 ASP H 3.650 . 5.500 4.781 3.689 5.589 0.089 20 0 "[ . 1 . 2]" 3
155 1 77 ASP H 1 90 ALA MB 3.650 . 5.500 4.469 4.010 4.751 . 0 0 "[ . 1 . 2]" 3
156 1 59 SER HA 1 60 ALA H 3.650 . 5.500 3.535 3.501 3.568 . 0 0 "[ . 1 . 2]" 3
157 1 91 TYR H 1 92 ILE H 3.650 . 5.500 4.342 4.210 4.454 . 0 0 "[ . 1 . 2]" 3
158 1 75 GLU HA 1 91 TYR H 3.650 . 5.500 4.455 4.297 4.577 . 0 0 "[ . 1 . 2]" 3
159 1 74 VAL HA 1 91 TYR H 3.650 . 5.500 4.549 4.340 4.694 . 0 0 "[ . 1 . 2]" 3
160 1 75 GLU HG3 1 91 TYR H 4.150 . 6.500 5.414 5.163 5.618 . 0 0 "[ . 1 . 2]" 3
161 1 74 VAL HB 1 91 TYR H 3.650 . 5.500 4.775 4.570 4.886 . 0 0 "[ . 1 . 2]" 3
162 1 105 ARG H 1 106 GLN HA 3.650 . 5.500 5.262 5.099 5.371 . 0 0 "[ . 1 . 2]" 3
163 1 103 LEU HA 1 105 ARG H 3.650 . 5.500 4.731 4.593 5.005 . 0 0 "[ . 1 . 2]" 3
164 1 101 GLU HG3 1 105 ARG H 4.150 . 6.500 5.192 4.615 5.978 . 0 0 "[ . 1 . 2]" 3
165 1 104 VAL QG 1 105 ARG H 3.650 . 5.500 3.236 3.131 3.313 . 0 0 "[ . 1 . 2]" 3
166 1 25 LEU H 1 26 MET H 3.650 . 5.500 4.358 4.335 4.382 . 0 0 "[ . 1 . 2]" 3
167 1 26 MET H 1 27 TYR H 3.650 . 5.500 4.204 4.133 4.314 . 0 0 "[ . 1 . 2]" 3
168 1 13 THR HA 1 26 MET H 3.650 . 5.500 4.762 4.644 4.834 . 0 0 "[ . 1 . 2]" 3
169 1 15 ILE HA 1 26 MET H 3.650 . 5.500 5.022 4.788 5.252 . 0 0 "[ . 1 . 2]" 3
170 1 26 MET H 1 26 MET HG2 3.650 . 5.500 4.402 4.323 4.486 . 0 0 "[ . 1 . 2]" 3
171 1 15 ILE MD 1 26 MET H 3.650 . 4.500 3.395 3.193 3.575 . 0 0 "[ . 1 . 2]" 3
172 1 25 LEU MD2 1 26 MET H 3.650 . 5.500 4.305 4.215 4.425 . 0 0 "[ . 1 . 2]" 3
173 1 7 LEU H 1 8 HIS H 3.650 . 5.500 4.432 3.812 4.674 . 0 0 "[ . 1 . 2]" 3
174 1 99 VAL H 1 102 ALA H 3.650 . 5.500 4.787 4.608 5.003 . 0 0 "[ . 1 . 2]" 3
175 1 98 MET H 1 102 ALA H 3.650 . 5.500 5.150 4.753 5.552 0.052 11 0 "[ . 1 . 2]" 3
176 1 102 ALA H 1 105 ARG H 3.650 . 5.500 4.645 4.589 4.765 . 0 0 "[ . 1 . 2]" 3
177 1 102 ALA H 1 104 VAL H 3.650 . 5.500 4.299 4.105 4.530 . 0 0 "[ . 1 . 2]" 3
178 1 102 ALA H 1 103 LEU HA 3.650 . 5.500 5.355 5.207 5.483 . 0 0 "[ . 1 . 2]" 3
179 1 134 LYS H 1 135 GLU HG3 3.650 . 5.500 4.503 4.081 5.576 0.076 12 0 "[ . 1 . 2]" 3
180 1 133 LYS HG3 1 134 LYS H 3.650 . 5.500 4.485 4.177 4.616 . 0 0 "[ . 1 . 2]" 3
181 1 133 LYS HG2 1 134 LYS H 3.650 . 5.500 5.032 4.899 5.141 . 0 0 "[ . 1 . 2]" 3
182 1 92 ILE H 1 92 ILE MD 3.650 . 5.500 3.788 3.635 3.946 . 0 0 "[ . 1 . 2]" 3
183 1 122 GLU HA 1 124 LEU H 3.650 . 5.500 4.375 4.113 4.642 . 0 0 "[ . 1 . 2]" 3
184 1 121 HIS HB2 1 124 LEU H 3.650 . 5.500 5.248 5.020 5.526 0.026 12 0 "[ . 1 . 2]" 3
185 1 59 SER HA 1 61 PHE H 3.650 . 5.500 4.492 4.274 4.724 . 0 0 "[ . 1 . 2]" 3
186 1 61 PHE H 1 62 THR HA 3.650 . 5.500 5.295 5.188 5.374 . 0 0 "[ . 1 . 2]" 3
187 1 61 PHE H 1 62 THR MG 4.150 . 6.500 5.837 5.722 5.916 . 0 0 "[ . 1 . 2]" 3
188 1 61 PHE H 1 108 LEU MD2 3.650 . 5.500 4.098 3.606 4.567 . 0 0 "[ . 1 . 2]" 3
189 1 39 VAL H 1 40 ASP H 3.150 . 4.500 4.368 4.284 4.451 . 0 0 "[ . 1 . 2]" 3
190 1 40 ASP H 1 109 ALA MB 3.650 . 5.500 3.269 2.747 3.867 . 0 0 "[ . 1 . 2]" 3
191 1 39 VAL MG2 1 40 ASP H 3.650 . 5.500 3.579 3.264 3.834 . 0 0 "[ . 1 . 2]" 3
192 1 69 ALA H 1 71 LYS H 4.150 . 6.500 5.993 5.526 6.407 . 0 0 "[ . 1 . 2]" 3
193 1 71 LYS H 1 94 ALA HA 3.650 . 5.500 5.221 4.575 5.537 0.037 4 0 "[ . 1 . 2]" 3
194 1 71 LYS H 1 95 ASP HB2 3.650 . 5.500 3.486 2.079 4.117 . 0 0 "[ . 1 . 2]" 3
195 1 33 THR HB 1 87 ARG H 3.650 . 5.500 5.457 5.036 5.576 0.076 15 0 "[ . 1 . 2]" 3
196 1 35 ARG H 1 83 ASP H 3.650 . 5.500 5.502 5.345 5.555 0.055 13 0 "[ . 1 . 2]" 3
197 1 82 THR MG 1 83 ASP H 3.650 . 5.500 3.545 3.359 3.744 . 0 0 "[ . 1 . 2]" 3
198 1 64 LYS H 1 67 GLU H 3.650 . 5.500 4.783 4.585 4.945 . 0 0 "[ . 1 . 2]" 3
199 1 65 MET H 1 67 GLU H 3.650 . 4.500 4.112 3.869 4.291 . 0 0 "[ . 1 . 2]" 3
200 1 67 GLU H 1 69 ALA MB 3.650 . 5.500 4.460 4.253 4.722 . 0 0 "[ . 1 . 2]" 3
201 1 14 LEU MD2 1 67 GLU H 3.650 . 5.500 3.748 3.485 5.389 . 0 0 "[ . 1 . 2]" 3
202 1 95 ASP HB3 1 97 LYS H 3.650 . 5.500 3.861 3.256 5.467 . 0 0 "[ . 1 . 2]" 3
203 1 95 ASP HB2 1 97 LYS H 3.650 . 5.500 4.752 4.324 5.465 . 0 0 "[ . 1 . 2]" 3
204 1 93 TYR HB2 1 97 LYS H 3.650 . 5.500 5.200 4.574 5.506 0.006 8 0 "[ . 1 . 2]" 3
205 1 94 ALA MB 1 97 LYS H 3.650 . 5.500 3.769 3.652 3.899 . 0 0 "[ . 1 . 2]" 3
206 1 69 ALA H 1 95 ASP H 4.150 . 6.500 5.780 5.483 5.983 . 0 0 "[ . 1 . 2]" 3
207 1 66 VAL H 1 69 ALA H 3.650 . 5.500 4.741 4.609 4.880 . 0 0 "[ . 1 . 2]" 3
208 1 69 ALA H 1 94 ALA HA 3.650 . 5.500 5.458 5.070 5.542 0.042 3 0 "[ . 1 . 2]" 3
209 1 67 GLU HB3 1 69 ALA H 4.150 . 6.500 5.233 5.123 5.410 . 0 0 "[ . 1 . 2]" 3
210 1 67 GLU HB2 1 69 ALA H 4.150 . 6.500 4.838 4.664 5.031 . 0 0 "[ . 1 . 2]" 3
211 1 65 MET QB 1 69 ALA H 3.650 . 5.500 5.246 5.002 5.397 . 0 0 "[ . 1 . 2]" 3
212 1 80 GLN H 1 81 ARG H 3.650 . 5.500 4.431 4.240 4.507 . 0 0 "[ . 1 . 2]" 3
213 1 81 ARG H 1 82 THR MG 3.650 . 5.500 4.451 4.128 4.690 . 0 0 "[ . 1 . 2]" 3
214 1 19 ASP H 1 22 THR HA 3.650 . 5.500 4.758 4.426 4.994 . 0 0 "[ . 1 . 2]" 3
215 1 19 ASP H 1 19 ASP HB3 3.650 . 5.500 3.176 2.798 3.758 . 0 0 "[ . 1 . 2]" 3
216 1 19 ASP H 1 22 THR MG 3.650 . 5.500 4.039 3.494 4.478 . 0 0 "[ . 1 . 2]" 3
217 1 19 ASP H 1 62 THR MG 3.650 . 5.500 5.118 4.371 5.427 . 0 0 "[ . 1 . 2]" 3
218 1 60 ALA MB 1 62 THR H 3.650 . 5.500 4.769 4.604 4.878 . 0 0 "[ . 1 . 2]" 3
219 1 62 THR H 1 108 LEU MD2 3.650 . 5.500 4.927 4.246 5.557 0.057 11 0 "[ . 1 . 2]" 3
220 1 122 GLU H 1 124 LEU H 3.650 . 5.500 4.151 3.940 4.367 . 0 0 "[ . 1 . 2]" 3
221 1 122 GLU H 1 123 GLN HG2 3.650 . 5.500 4.812 3.589 5.586 0.086 9 0 "[ . 1 . 2]" 3
222 1 122 GLU H 1 125 LEU MD1 3.650 . 5.500 4.618 4.130 5.155 . 0 0 "[ . 1 . 2]" 3
223 1 90 ALA H 1 91 TYR H 3.650 . 4.500 4.276 4.222 4.337 . 0 0 "[ . 1 . 2]" 3
224 1 89 LEU HB3 1 90 ALA H 3.650 . 5.500 3.865 3.605 4.006 . 0 0 "[ . 1 . 2]" 3
225 1 74 VAL HB 1 90 ALA H 3.650 . 5.500 5.143 4.881 5.432 . 0 0 "[ . 1 . 2]" 3
226 1 89 LEU MD2 1 90 ALA H 3.650 . 5.500 3.954 3.681 4.157 . 0 0 "[ . 1 . 2]" 3
227 1 63 LYS H 1 63 LYS HD3 3.650 . 5.500 4.760 4.586 5.044 . 0 0 "[ . 1 . 2]" 3
228 1 107 GLY HA2 1 140 TRP H 3.650 . 5.500 5.063 4.560 5.449 . 0 0 "[ . 1 . 2]" 3
229 1 139 ILE MG 1 140 TRP H 3.650 . 5.500 3.927 2.465 4.291 . 0 0 "[ . 1 . 2]" 3
230 1 12 ALA H 1 74 VAL H 3.650 . 5.500 4.432 4.193 4.581 . 0 0 "[ . 1 . 2]" 3
231 1 12 ALA H 1 72 ILE MG 3.650 . 5.500 3.851 3.681 4.060 . 0 0 "[ . 1 . 2]" 3
232 1 12 ALA H 1 74 VAL MG1 3.650 . 5.500 4.375 4.219 4.512 . 0 0 "[ . 1 . 2]" 3
233 1 12 ALA H 1 74 VAL MG2 3.650 . 5.500 4.623 4.376 4.962 . 0 0 "[ . 1 . 2]" 3
234 1 104 VAL QG 1 130 ALA H 3.650 . 5.500 4.333 4.240 4.419 . 0 0 "[ . 1 . 2]" 3
235 1 27 TYR HB2 1 30 GLN H 3.650 . 5.500 5.400 5.150 5.519 0.019 7 0 "[ . 1 . 2]" 3
236 1 26 MET HG3 1 30 GLN H 3.650 . 5.500 3.871 3.466 4.341 . 0 0 "[ . 1 . 2]" 3
237 1 28 LYS HB3 1 30 GLN H 3.650 . 5.500 4.744 4.510 5.079 . 0 0 "[ . 1 . 2]" 3
238 1 28 LYS HG3 1 30 GLN H 3.650 . 5.500 5.438 5.288 5.563 0.063 12 0 "[ . 1 . 2]" 3
239 1 143 ASP HB2 1 144 ASN H 3.650 . 5.500 4.111 3.377 4.539 . 0 0 "[ . 1 . 2]" 3
240 1 145 ALA MB 1 146 ASP H 3.650 . 5.500 2.960 1.860 3.670 . 0 0 "[ . 1 . 2]" 3
241 1 78 LYS H 1 119 ASN H 3.650 . 5.500 4.320 3.453 4.903 . 0 0 "[ . 1 . 2]" 3
242 1 78 LYS H 1 79 GLY HA2 3.650 . 5.500 4.938 4.592 5.277 . 0 0 "[ . 1 . 2]" 3
243 1 78 LYS H 1 78 LYS HE3 3.650 . 5.500 4.296 2.582 5.664 0.164 17 0 "[ . 1 . 2]" 3
244 1 7 LEU MD1 1 78 LYS H 3.650 . 5.500 4.053 2.777 5.530 0.030 4 0 "[ . 1 . 2]" 3
245 1 7 LEU MD2 1 78 LYS H 3.650 . 5.500 3.776 2.507 5.580 0.080 9 0 "[ . 1 . 2]" 3
246 1 8 HIS H 1 76 PHE H 3.650 . 5.500 3.147 2.734 3.640 . 0 0 "[ . 1 . 2]" 3
247 1 8 HIS H 1 75 GLU HG3 3.650 . 5.500 2.763 1.975 3.469 . 0 0 "[ . 1 . 2]" 3
248 1 8 HIS H 1 75 GLU HG2 3.650 . 5.500 3.077 2.791 3.642 . 0 0 "[ . 1 . 2]" 3
249 1 7 LEU MD1 1 8 HIS H 3.650 . 5.500 4.020 2.803 4.641 . 0 0 "[ . 1 . 2]" 3
250 1 7 LEU MD2 1 8 HIS H 3.650 . 5.500 4.207 3.509 4.856 . 0 0 "[ . 1 . 2]" 3
251 1 126 ARG H 1 128 SER H 3.650 . 5.500 4.115 3.949 4.304 . 0 0 "[ . 1 . 2]" 3
252 1 138 ASN H 1 140 TRP H 3.650 . 5.500 4.264 4.089 4.458 . 0 0 "[ . 1 . 2]" 3
253 1 137 LEU H 1 138 ASN H 3.650 . 5.500 4.544 4.451 4.632 . 0 0 "[ . 1 . 2]" 3
254 1 126 ARG H 1 126 ARG HD2 3.650 . 5.500 4.073 3.561 4.550 . 0 0 "[ . 1 . 2]" 3
255 1 126 ARG H 1 126 ARG HD3 3.650 . 5.500 4.763 4.407 4.881 . 0 0 "[ . 1 . 2]" 3
256 1 111 VAL QG 1 126 ARG H 3.650 . 5.500 3.248 2.914 3.785 . 0 0 "[ . 1 . 2]" 3
257 1 137 LEU MD1 1 138 ASN H 3.650 . 5.500 3.649 2.708 4.315 . 0 0 "[ . 1 . 2]" 3
258 1 125 LEU MD2 1 126 ARG H 3.650 . 5.500 4.660 4.450 4.775 . 0 0 "[ . 1 . 2]" 3
259 1 137 LEU MD2 1 138 ASN H 3.650 . 5.500 3.682 2.969 4.376 . 0 0 "[ . 1 . 2]" 3
260 1 122 GLU H 1 125 LEU H 3.650 . 5.500 4.909 4.698 5.194 . 0 0 "[ . 1 . 2]" 3
261 1 121 HIS HA 1 125 LEU H 3.650 . 5.500 4.565 4.225 4.966 . 0 0 "[ . 1 . 2]" 3
262 1 122 GLU HA 1 125 LEU H 3.650 . 5.500 3.693 3.438 4.047 . 0 0 "[ . 1 . 2]" 3
263 1 121 HIS HB3 1 125 LEU H 3.650 . 5.500 4.014 3.572 4.460 . 0 0 "[ . 1 . 2]" 3
264 1 125 LEU H 1 125 LEU MD2 3.650 . 5.500 3.308 3.071 3.484 . 0 0 "[ . 1 . 2]" 3
265 1 129 GLU H 1 131 GLN H 3.650 . 4.500 3.937 3.814 4.140 . 0 0 "[ . 1 . 2]" 3
266 1 131 GLN H 1 132 ALA MB 3.650 . 5.500 4.288 4.177 4.457 . 0 0 "[ . 1 . 2]" 3
267 1 104 VAL QG 1 131 GLN H 3.650 . 5.500 5.010 4.799 5.241 . 0 0 "[ . 1 . 2]" 3
268 1 128 SER H 1 131 GLN H 3.650 . 5.500 4.688 4.528 4.783 . 0 0 "[ . 1 . 2]" 3
269 1 104 VAL QG 1 128 SER H 3.650 . 5.500 3.973 3.847 4.148 . 0 0 "[ . 1 . 2]" 3
270 1 22 THR H 1 23 VAL H 3.650 . 5.500 4.305 3.980 4.460 . 0 0 "[ . 1 . 2]" 3
271 1 23 VAL H 1 35 ARG HA 3.650 . 5.500 3.921 3.332 4.525 . 0 0 "[ . 1 . 2]" 3
272 1 23 VAL H 1 34 PHE HA 3.650 . 5.500 4.836 4.687 4.985 . 0 0 "[ . 1 . 2]" 3
273 1 23 VAL H 1 34 PHE HB3 3.650 . 5.500 4.392 4.127 4.619 . 0 0 "[ . 1 . 2]" 3
274 1 22 THR MG 1 23 VAL H 3.650 . 5.500 2.776 2.474 2.919 . 0 0 "[ . 1 . 2]" 3
275 1 23 VAL H 1 33 THR MG 3.650 . 5.500 3.525 3.222 3.726 . 0 0 "[ . 1 . 2]" 3
276 1 23 VAL H 1 92 ILE MD 3.650 . 5.500 4.309 3.741 4.764 . 0 0 "[ . 1 . 2]" 3
277 1 74 VAL H 1 75 GLU H 3.650 . 4.500 4.301 4.234 4.386 . 0 0 "[ . 1 . 2]" 3
278 1 73 GLU H 1 74 VAL H 3.650 . 5.500 4.328 4.274 4.379 . 0 0 "[ . 1 . 2]" 3
279 1 73 GLU HG3 1 74 VAL H 3.650 . 5.500 5.088 5.005 5.196 . 0 0 "[ . 1 . 2]" 3
280 1 10 GLU HB2 1 74 VAL H 3.650 . 5.500 3.566 3.395 3.884 . 0 0 "[ . 1 . 2]" 3
281 1 9 LYS HB3 1 74 VAL H 3.650 . 5.500 4.025 3.445 4.443 . 0 0 "[ . 1 . 2]" 3
282 1 12 ALA MB 1 74 VAL H 3.650 . 5.500 3.579 3.255 3.844 . 0 0 "[ . 1 . 2]" 3
283 1 9 LYS HG2 1 74 VAL H 3.650 . 5.500 4.712 3.921 5.173 . 0 0 "[ . 1 . 2]" 3
284 1 72 ILE MG 1 74 VAL H 3.650 . 5.500 4.438 4.264 4.604 . 0 0 "[ . 1 . 2]" 3
285 1 74 VAL H 1 74 VAL MG2 3.650 . 4.500 2.141 1.997 2.202 . 0 0 "[ . 1 . 2]" 3
286 1 121 HIS HA 1 123 GLN H 3.650 . 5.500 3.736 3.391 4.055 . 0 0 "[ . 1 . 2]" 3
287 1 122 GLU HA 1 123 GLN H 3.650 . 5.500 3.524 3.439 3.591 . 0 0 "[ . 1 . 2]" 3
288 1 117 PRO HA 1 119 ASN H 3.650 . 5.500 4.388 3.843 4.831 . 0 0 "[ . 1 . 2]" 3
289 1 77 ASP HB2 1 119 ASN H 3.650 . 5.500 4.711 3.995 5.565 0.065 13 0 "[ . 1 . 2]" 3
290 1 38 LEU MD1 1 119 ASN H 3.650 . 5.500 4.413 4.207 4.743 . 0 0 "[ . 1 . 2]" 3
291 1 38 LEU MD2 1 119 ASN H 3.650 . 5.500 4.345 3.826 5.042 . 0 0 "[ . 1 . 2]" 3
292 1 109 ALA H 1 110 LYS H 3.650 . 5.500 4.347 4.237 4.434 . 0 0 "[ . 1 . 2]" 3
293 1 109 ALA MB 1 110 LYS H 3.150 . 4.500 2.584 2.200 2.749 . 0 0 "[ . 1 . 2]" 3
294 1 110 LYS H 1 139 ILE MD 3.650 . 5.500 3.738 3.124 4.503 . 0 0 "[ . 1 . 2]" 3
295 1 133 LYS H 1 140 TRP HB2 3.650 . 5.500 5.149 4.650 5.473 . 0 0 "[ . 1 . 2]" 3
296 1 133 LYS H 1 140 TRP HB3 3.650 . 5.500 5.081 4.670 5.408 . 0 0 "[ . 1 . 2]" 3
297 1 130 ALA MB 1 133 LYS H 3.650 . 5.500 4.599 4.493 4.694 . 0 0 "[ . 1 . 2]" 3
298 1 62 THR H 1 64 LYS H 3.650 . 5.500 4.384 4.103 4.558 . 0 0 "[ . 1 . 2]" 3
299 1 133 LYS H 1 137 LEU H 3.650 . 5.500 5.183 4.992 5.442 . 0 0 "[ . 1 . 2]" 3
300 1 137 LEU H 1 137 LEU MD1 3.650 . 5.500 3.713 3.397 3.923 . 0 0 "[ . 1 . 2]" 3
301 1 133 LYS H 1 136 LYS H 3.650 . 5.500 4.837 4.645 5.084 . 0 0 "[ . 1 . 2]" 3
302 1 136 LYS H 1 137 LEU HA 3.650 . 5.500 5.144 5.035 5.227 . 0 0 "[ . 1 . 2]" 3
303 1 136 LYS H 1 140 TRP HB3 3.650 . 5.500 4.251 4.096 4.552 . 0 0 "[ . 1 . 2]" 3
304 1 135 GLU HG2 1 136 LYS H 3.650 . 5.500 4.950 4.294 5.106 . 0 0 "[ . 1 . 2]" 3
305 1 136 LYS H 1 137 LEU MD1 4.150 . 6.500 5.254 4.653 5.766 . 0 0 "[ . 1 . 2]" 3
306 1 147 SER H 1 147 SER HB3 3.650 . 5.500 3.489 2.627 4.111 . 0 0 "[ . 1 . 2]" 3
307 1 146 ASP HB2 1 147 SER H 3.650 . 5.500 3.696 2.139 4.579 . 0 0 "[ . 1 . 2]" 3
308 1 61 PHE QD 1 65 MET H 3.650 . 5.500 5.140 4.664 5.511 0.011 8 0 "[ . 1 . 2]" 3
309 1 135 GLU H 1 140 TRP HB2 3.650 . 5.500 5.503 5.324 5.564 0.064 5 0 "[ . 1 . 2]" 3
310 1 65 MET H 1 99 VAL MG1 4.150 . 6.500 5.010 4.170 5.632 . 0 0 "[ . 1 . 2]" 3
311 1 65 MET H 1 66 VAL MG2 3.650 . 5.500 3.986 3.853 4.129 . 0 0 "[ . 1 . 2]" 3
312 1 100 ASN H 1 103 LEU H 3.650 . 5.500 4.776 4.647 4.992 . 0 0 "[ . 1 . 2]" 3
313 1 103 LEU H 1 105 ARG H 3.650 . 5.500 4.205 4.065 4.407 . 0 0 "[ . 1 . 2]" 3
314 1 138 ASN H 1 141 SER H 3.650 . 5.500 4.974 4.770 5.252 . 0 0 "[ . 1 . 2]" 3
315 1 137 LEU H 1 141 SER H 3.650 . 5.500 4.801 4.416 5.073 . 0 0 "[ . 1 . 2]" 3
316 1 101 GLU H 1 103 LEU H 3.650 . 5.500 4.128 3.995 4.260 . 0 0 "[ . 1 . 2]" 3
317 1 139 ILE MG 1 141 SER H 3.650 . 5.500 5.080 4.313 5.407 . 0 0 "[ . 1 . 2]" 3
318 1 104 VAL H 1 106 GLN H 3.650 . 5.500 4.070 3.948 4.185 . 0 0 "[ . 1 . 2]" 3
319 1 101 GLU H 1 104 VAL H 3.650 . 5.500 4.896 4.753 5.144 . 0 0 "[ . 1 . 2]" 3
320 1 101 GLU HB3 1 104 VAL H 4.150 . 6.500 5.620 5.417 5.793 . 0 0 "[ . 1 . 2]" 3
321 1 108 LEU H 1 109 ALA HA 3.650 . 5.500 4.623 4.520 4.810 . 0 0 "[ . 1 . 2]" 3
322 1 103 LEU HA 1 108 LEU H 3.650 . 5.500 3.775 3.589 4.047 . 0 0 "[ . 1 . 2]" 3
323 1 108 LEU H 1 132 ALA MB 3.650 . 5.500 4.385 4.101 4.574 . 0 0 "[ . 1 . 2]" 3
324 1 108 LEU H 1 108 LEU MD1 3.650 . 5.500 2.983 2.318 3.769 . 0 0 "[ . 1 . 2]" 3
325 1 108 LEU H 1 108 LEU MD2 3.650 . 5.500 4.296 4.035 4.514 . 0 0 "[ . 1 . 2]" 3
326 1 16 LYS H 1 24 LYS HA 3.650 . 5.500 4.839 4.717 4.946 . 0 0 "[ . 1 . 2]" 3
327 1 16 LYS H 1 23 VAL HA 3.650 . 5.500 5.433 5.077 5.518 0.018 14 0 "[ . 1 . 2]" 3
328 1 68 ASN H 1 69 ALA HA 3.650 . 5.500 4.861 4.740 4.957 . 0 0 "[ . 1 . 2]" 3
329 1 66 VAL HA 1 68 ASN H 3.650 . 5.500 4.100 3.909 4.263 . 0 0 "[ . 1 . 2]" 3
330 1 66 VAL MG1 1 68 ASN H 3.650 . 5.500 5.398 5.290 5.515 0.015 16 0 "[ . 1 . 2]" 3
331 1 66 VAL MG2 1 68 ASN H 3.650 . 5.500 4.450 4.289 4.628 . 0 0 "[ . 1 . 2]" 3
332 1 121 HIS H 1 122 GLU H . . 3.500 2.413 2.260 2.717 . 0 0 "[ . 1 . 2]" 3
333 1 119 ASN HA 1 121 HIS H 3.650 . 5.500 3.510 3.161 3.910 . 0 0 "[ . 1 . 2]" 3
334 1 121 HIS H 1 125 LEU MD1 3.650 . 5.500 4.921 4.561 5.274 . 0 0 "[ . 1 . 2]" 3
335 1 22 THR H 1 22 THR MG 3.650 . 5.500 3.859 3.753 3.989 . 0 0 "[ . 1 . 2]" 3
336 1 108 LEU MD1 1 109 ALA H 3.650 . 5.500 4.321 3.762 4.971 . 0 0 "[ . 1 . 2]" 3
337 1 108 LEU MD2 1 109 ALA H 3.650 . 5.500 5.116 4.822 5.469 . 0 0 "[ . 1 . 2]" 3
338 1 109 ALA H 1 139 ILE MD 3.650 . 5.500 3.298 2.732 4.896 . 0 0 "[ . 1 . 2]" 3
339 1 99 VAL H 1 101 GLU H 3.650 . 5.500 4.194 3.946 4.499 . 0 0 "[ . 1 . 2]" 3
340 1 101 GLU H 1 102 ALA MB 3.650 . 5.500 4.218 4.094 4.390 . 0 0 "[ . 1 . 2]" 3
341 1 58 ALA H 1 59 SER H 3.650 . 4.500 2.756 2.484 3.067 . 0 0 "[ . 1 . 2]" 3
342 1 19 ASP HA 1 59 SER H 3.650 . 5.500 4.772 4.183 5.378 . 0 0 "[ . 1 . 2]" 3
343 1 58 ALA HA 1 59 SER H 3.650 . 5.500 3.551 3.500 3.622 . 0 0 "[ . 1 . 2]" 3
344 1 20 GLY HA2 1 59 SER H 3.650 . 5.500 3.669 3.034 4.295 . 0 0 "[ . 1 . 2]" 3
345 1 58 ALA MB 1 59 SER H 3.650 . 5.500 2.506 2.338 2.754 . 0 0 "[ . 1 . 2]" 3
346 1 59 SER H 1 60 ALA MB 3.650 . 5.500 4.439 4.295 4.604 . 0 0 "[ . 1 . 2]" 3
347 1 104 VAL HA 1 106 GLN H 3.650 . 5.500 4.250 4.004 4.426 . 0 0 "[ . 1 . 2]" 3
348 1 103 LEU HA 1 106 GLN H 3.650 . 5.500 3.914 3.721 4.294 . 0 0 "[ . 1 . 2]" 3
349 1 106 GLN H 1 108 LEU MD2 4.150 . 6.500 6.087 5.716 6.396 . 0 0 "[ . 1 . 2]" 3
350 1 20 GLY H 1 21 ASP H 3.650 . 5.500 2.746 2.059 4.337 . 0 0 "[ . 1 . 2]" 3
351 1 19 ASP H 1 21 ASP H 3.650 . 5.500 4.831 4.216 5.263 . 0 0 "[ . 1 . 2]" 3
352 1 20 GLY HA3 1 21 ASP H 3.650 . 5.500 2.608 2.110 2.943 . 0 0 "[ . 1 . 2]" 3
353 1 147 SER HA 1 148 GLY H 3.650 . 5.500 2.770 2.113 3.593 . 0 0 "[ . 1 . 2]" 3
354 1 77 ASP H 1 79 GLY H 3.650 . 5.500 4.531 4.203 4.910 . 0 0 "[ . 1 . 2]" 3
355 1 78 LYS QD 1 79 GLY H 3.650 . 5.500 4.574 2.410 5.316 . 0 0 "[ . 1 . 2]" 3
356 1 94 ALA H 1 100 ASN H 4.150 . 6.500 5.839 5.519 6.145 . 0 0 "[ . 1 . 2]" 3
357 1 93 TYR HA 1 100 ASN H 3.650 . 5.500 4.927 4.425 5.353 . 0 0 "[ . 1 . 2]" 3
358 1 91 TYR HB3 1 100 ASN H 3.650 . 5.500 5.010 4.539 5.433 . 0 0 "[ . 1 . 2]" 3
359 1 33 THR H 1 88 GLY H 3.650 . 5.500 4.419 4.209 4.779 . 0 0 "[ . 1 . 2]" 3
360 1 83 ASP H 1 88 GLY H 3.650 . 5.500 4.686 4.294 4.841 . 0 0 "[ . 1 . 2]" 3
361 1 76 PHE QE 1 88 GLY H 3.650 . 5.500 5.340 4.843 5.549 0.049 16 0 "[ . 1 . 2]" 3
362 1 82 THR HA 1 88 GLY H 3.650 . 5.500 4.650 4.228 4.940 . 0 0 "[ . 1 . 2]" 3
363 1 33 THR HB 1 88 GLY H 3.650 . 5.500 4.315 3.967 4.579 . 0 0 "[ . 1 . 2]" 3
364 1 82 THR MG 1 88 GLY H 3.650 . 5.500 3.763 3.223 4.350 . 0 0 "[ . 1 . 2]" 3
365 1 13 THR H 1 25 LEU HA 3.650 . 5.500 4.939 4.747 5.100 . 0 0 "[ . 1 . 2]" 3
366 1 13 THR H 1 25 LEU MD1 3.650 . 5.500 3.176 2.825 3.529 . 0 0 "[ . 1 . 2]" 3
367 1 13 THR H 1 25 LEU MD2 3.650 . 5.500 3.853 3.639 4.092 . 0 0 "[ . 1 . 2]" 3
368 1 83 ASP HB3 1 86 GLY H 3.650 . 5.500 3.578 3.093 4.436 . 0 0 "[ . 1 . 2]" 3
369 1 82 THR MG 1 86 GLY H 3.650 . 5.500 5.062 4.769 5.315 . 0 0 "[ . 1 . 2]" 3
370 1 64 LYS H 1 66 VAL H 3.650 . 5.500 4.301 4.130 4.540 . 0 0 "[ . 1 . 2]" 3
371 1 63 LYS H 1 66 VAL H 3.650 . 5.500 4.920 4.782 5.043 . 0 0 "[ . 1 . 2]" 3
372 1 66 VAL H 1 68 ASN H 3.650 . 4.500 4.030 3.859 4.251 . 0 0 "[ . 1 . 2]" 3
373 1 66 VAL H 1 69 ALA MB 3.650 . 5.500 4.436 4.239 4.592 . 0 0 "[ . 1 . 2]" 3
374 1 17 ALA MB 1 66 VAL H 4.150 . 6.500 5.753 5.066 6.264 . 0 0 "[ . 1 . 2]" 3
375 1 14 LEU MD2 1 66 VAL H 3.650 . 5.500 4.638 4.389 5.592 0.092 11 0 "[ . 1 . 2]" 3
376 1 105 ARG H 1 107 GLY H 3.650 . 5.500 3.902 3.715 4.061 . 0 0 "[ . 1 . 2]" 3
377 1 107 GLY H 1 137 LEU MD2 3.650 . 5.500 5.291 4.509 5.587 0.087 17 0 "[ . 1 . 2]" 3
378 1 107 GLY H 1 108 LEU MD1 3.650 . 5.500 3.983 3.208 4.702 . 0 0 "[ . 1 . 2]" 3
379 1 107 GLY H 1 108 LEU MD2 4.150 . 6.500 5.843 5.329 6.136 . 0 0 "[ . 1 . 2]" 3
380 1 82 THR H 1 82 THR MG 3.650 . 5.500 3.191 3.086 3.311 . 0 0 "[ . 1 . 2]" 3
381 1 82 THR H 1 89 LEU MD2 3.650 . 5.500 5.518 5.229 5.591 0.091 15 0 "[ . 1 . 2]" 3
382 1 38 LEU HB3 1 39 VAL H 3.650 . 5.500 3.955 3.770 4.250 . 0 0 "[ . 1 . 2]" 3
383 1 39 VAL H 1 40 ASP HB3 4.150 . 6.500 6.219 5.956 6.529 0.029 18 0 "[ . 1 . 2]" 3
384 1 38 LEU MD1 1 39 VAL H 3.650 . 5.500 4.642 4.106 4.966 . 0 0 "[ . 1 . 2]" 3
385 1 38 LEU MD2 1 39 VAL H 3.650 . 5.500 4.434 4.021 5.085 . 0 0 "[ . 1 . 2]" 3
386 1 20 GLY H 1 58 ALA MB 3.650 . 5.500 3.581 3.140 4.019 . 0 0 "[ . 1 . 2]" 3
387 1 20 GLY H 1 59 SER QB 3.650 . 5.500 3.617 2.868 4.297 . 0 0 "[ . 1 . 2]" 3
388 1 71 LYS H 1 96 GLY H 3.650 . 5.500 5.133 4.754 5.531 0.031 4 0 "[ . 1 . 2]" 3
389 1 72 ILE HA 1 96 GLY H 3.650 . 5.500 4.524 4.015 5.533 0.033 19 0 "[ . 1 . 2]" 3
390 1 93 TYR HA 1 96 GLY H 3.650 . 5.500 4.479 4.255 4.977 . 0 0 "[ . 1 . 2]" 3
391 1 94 ALA MB 1 96 GLY H 3.650 . 5.500 4.430 4.225 5.035 . 0 0 "[ . 1 . 2]" 3
392 1 28 LYS HG3 1 29 GLY H 3.650 . 5.500 4.927 4.829 5.031 . 0 0 "[ . 1 . 2]" 3
393 1 28 LYS HG2 1 29 GLY H 3.650 . 5.500 5.061 4.937 5.207 . 0 0 "[ . 1 . 2]" 3
394 1 99 VAL H 1 100 ASN HA 3.650 . 5.500 5.250 5.052 5.415 . 0 0 "[ . 1 . 2]" 3
395 1 93 TYR HB3 1 99 VAL H 3.650 . 5.500 5.031 4.601 5.364 . 0 0 "[ . 1 . 2]" 3
396 1 98 MET QG 1 99 VAL H 3.650 . 5.500 3.551 2.868 4.584 . 0 0 "[ . 1 . 2]" 3
397 1 99 VAL H 1 102 ALA MB 3.650 . 5.500 4.696 4.351 5.064 . 0 0 "[ . 1 . 2]" 3
398 1 99 VAL H 1 99 VAL MG1 3.650 . 5.500 3.756 3.734 3.787 . 0 0 "[ . 1 . 2]" 3
399 1 92 ILE MG 1 99 VAL H 3.650 . 5.500 4.060 3.875 4.409 . 0 0 "[ . 1 . 2]" 3
400 1 139 ILE H 1 140 TRP HE1 3.650 . 5.500 5.287 5.077 5.513 0.013 14 0 "[ . 1 . 2]" 3
401 1 110 LYS HA 1 140 TRP HE1 3.650 . 5.500 4.205 3.595 4.748 . 0 0 "[ . 1 . 2]" 3
402 1 107 GLY HA2 1 140 TRP HE1 3.650 . 5.500 2.506 2.165 2.730 . 0 0 "[ . 1 . 2]" 3
403 1 140 TRP HB3 1 140 TRP HE1 3.650 . 5.500 5.183 5.146 5.203 . 0 0 "[ . 1 . 2]" 3
404 1 133 LYS HA 1 140 TRP HE1 3.650 . 5.500 4.837 4.247 5.128 . 0 0 "[ . 1 . 2]" 3
405 1 132 ALA MB 1 140 TRP HE1 3.650 . 5.500 2.442 2.158 2.822 . 0 0 "[ . 1 . 2]" 3
406 1 139 ILE MG 1 140 TRP HE1 3.650 . 5.500 4.998 2.998 5.511 0.011 4 0 "[ . 1 . 2]" 3
407 1 139 ILE MD 1 140 TRP HE1 3.650 . 5.500 3.223 2.681 5.296 . 0 0 "[ . 1 . 2]" 3
408 1 107 GLY H 1 140 TRP HE1 3.650 . 4.500 4.442 3.998 4.536 0.036 3 0 "[ . 1 . 2]" 3
409 1 140 TRP H 1 140 TRP HE1 3.650 . 5.500 5.113 4.919 5.350 . 0 0 "[ . 1 . 2]" 3
410 1 93 TYR QD 1 99 VAL H 3.650 . 5.500 4.762 4.460 5.002 . 0 0 "[ . 1 . 2]" 3
411 1 93 TYR QD 1 94 ALA H 3.650 . 5.500 4.433 4.319 4.581 . 0 0 "[ . 1 . 2]" 3
412 1 73 GLU H 1 93 TYR QD 3.650 . 5.500 4.468 4.200 4.725 . 0 0 "[ . 1 . 2]" 3
413 1 108 LEU HA 1 138 ASN HD21 3.650 . 5.500 4.527 3.572 5.097 . 0 0 "[ . 1 . 2]" 3
414 1 107 GLY HA2 1 138 ASN HD21 3.650 . 5.500 5.212 4.867 5.577 0.077 18 0 "[ . 1 . 2]" 3
415 1 138 ASN HA 1 138 ASN HD22 3.650 . 5.500 4.594 4.282 5.107 . 0 0 "[ . 1 . 2]" 3
416 1 106 GLN HG3 1 138 ASN HD21 3.650 . 5.500 2.927 2.091 3.912 . 0 0 "[ . 1 . 2]" 3
417 1 106 GLN HG2 1 138 ASN HD21 3.650 . 5.500 4.494 3.703 5.520 0.020 19 0 "[ . 1 . 2]" 3
418 1 106 GLN HB3 1 138 ASN HD21 3.650 . 5.500 4.593 3.927 5.524 0.024 3 0 "[ . 1 . 2]" 3
419 1 106 GLN HB3 1 138 ASN HD22 3.650 . 5.500 4.766 4.278 5.186 . 0 0 "[ . 1 . 2]" 3
420 1 137 LEU HB3 1 138 ASN HD21 3.650 . 5.500 3.148 2.687 4.377 . 0 0 "[ . 1 . 2]" 3
421 1 137 LEU HB2 1 138 ASN HD21 3.650 . 5.500 4.581 3.764 5.519 0.019 8 0 "[ . 1 . 2]" 3
422 1 137 LEU MD1 1 138 ASN HD21 3.650 . 5.500 4.027 3.103 5.231 . 0 0 "[ . 1 . 2]" 3
423 1 137 LEU MD2 1 138 ASN HD21 3.650 . 5.500 4.757 3.656 5.513 0.013 9 0 "[ . 1 . 2]" 3
424 1 108 LEU MD1 1 138 ASN HD21 3.650 . 5.500 3.070 2.294 3.792 . 0 0 "[ . 1 . 2]" 3
425 1 108 LEU MD2 1 138 ASN HD21 3.650 . 5.500 3.678 2.815 4.706 . 0 0 "[ . 1 . 2]" 3
426 1 108 LEU MD1 1 138 ASN HD22 3.650 . 5.500 2.943 2.063 4.038 . 0 0 "[ . 1 . 2]" 3
427 1 108 LEU MD2 1 138 ASN HD22 3.650 . 5.500 3.508 2.250 4.106 . 0 0 "[ . 1 . 2]" 3
428 1 68 ASN H 1 68 ASN HD22 3.650 . 4.500 4.133 3.882 4.515 0.015 3 0 "[ . 1 . 2]" 3
429 1 64 LYS QD 1 68 ASN HD21 3.650 . 5.500 4.475 2.505 5.565 0.065 17 0 "[ . 1 . 2]" 3
430 1 64 LYS HB2 1 68 ASN HD22 3.650 . 5.500 5.216 4.663 5.530 0.030 8 0 "[ . 1 . 2]" 3
431 1 64 LYS QD 1 68 ASN HD22 3.650 . 5.500 4.245 2.167 5.522 0.022 17 0 "[ . 1 . 2]" 3
432 1 123 GLN HA 1 123 GLN HE21 3.650 . 5.500 4.809 3.846 5.632 0.132 7 0 "[ . 1 . 2]" 3
433 1 123 GLN QB 1 123 GLN HE21 3.650 . 5.500 3.101 1.830 3.997 . 0 0 "[ . 1 . 2]" 3
434 1 123 GLN QB 1 123 GLN HE22 3.650 . 5.500 3.806 3.224 4.431 . 0 0 "[ . 1 . 2]" 3
435 1 128 SER HA 1 131 GLN HE21 3.650 . 5.500 4.346 2.804 5.083 . 0 0 "[ . 1 . 2]" 3
436 1 105 ARG HA 1 131 GLN HE21 3.650 . 5.500 3.766 2.767 5.540 0.040 12 0 "[ . 1 . 2]" 3
437 1 105 ARG QB 1 131 GLN HE21 3.650 . 5.500 4.282 2.450 5.245 . 0 0 "[ . 1 . 2]" 3
438 1 105 ARG QB 1 131 GLN HE22 3.650 . 5.500 4.860 2.095 5.593 0.093 9 0 "[ . 1 . 2]" 3
439 1 131 GLN HB2 1 131 GLN HE22 3.650 . 5.500 4.684 3.739 5.117 . 0 0 "[ . 1 . 2]" 3
440 1 106 GLN HA 1 106 GLN HE21 3.650 . 5.500 2.635 2.327 3.869 . 0 0 "[ . 1 . 2]" 3
441 1 80 GLN HE22 1 83 ASP H 3.650 . 5.500 5.509 5.277 5.624 0.124 17 0 "[ . 1 . 2]" 3
442 1 80 GLN HB3 1 80 GLN HE21 3.650 . 5.500 2.998 1.855 4.438 . 0 0 "[ . 1 . 2]" 3
443 1 80 GLN HB2 1 80 GLN HE21 3.650 . 5.500 2.571 1.808 4.410 . 0 0 "[ . 1 . 2]" 3
444 1 80 GLN HE21 1 89 LEU MD2 3.650 . 5.500 4.579 3.685 5.422 . 0 0 "[ . 1 . 2]" 3
445 1 27 TYR HB2 1 30 GLN HE21 3.650 . 5.500 4.973 3.860 5.549 0.049 4 0 "[ . 1 . 2]" 3
446 1 28 LYS HB2 1 30 GLN HE21 3.650 . 5.500 4.556 2.759 5.544 0.044 15 0 "[ . 1 . 2]" 3
447 1 119 ASN HA 1 119 ASN HD21 3.650 . 5.500 4.013 1.833 4.521 . 0 0 "[ . 1 . 2]" 3
448 1 116 LYS HG3 1 119 ASN HD21 3.650 . 5.500 4.238 3.500 4.860 . 0 0 "[ . 1 . 2]" 3
449 1 116 LYS HG2 1 119 ASN HD21 3.650 . 5.500 3.462 2.151 5.522 0.022 13 0 "[ . 1 . 2]" 3
450 1 114 VAL MG1 1 119 ASN HD21 3.650 . 5.500 3.241 1.759 4.335 0.041 9 0 "[ . 1 . 2]" 3
451 1 115 TYR H 1 115 TYR QD 3.650 . 5.500 3.806 2.811 4.360 . 0 0 "[ . 1 . 2]" 3
452 1 27 TYR H 1 27 TYR QD 3.650 . 5.500 4.173 4.047 4.234 . 0 0 "[ . 1 . 2]" 3
453 1 27 TYR H 1 34 PHE QD 4.150 . 6.500 6.235 5.854 6.530 0.030 6 0 "[ . 1 . 2]" 3
454 1 133 LYS H 1 140 TRP HE1 3.650 . 5.500 4.553 3.993 4.935 . 0 0 "[ . 1 . 2]" 3
455 1 132 ALA H 1 140 TRP HE1 3.650 . 5.500 5.119 4.679 5.493 . 0 0 "[ . 1 . 2]" 3
456 1 92 ILE H 1 100 ASN HD21 3.650 . 5.500 4.049 2.469 4.905 . 0 0 "[ . 1 . 2]" 3
457 1 92 ILE H 1 100 ASN HD22 3.650 . 4.500 3.182 2.039 4.509 0.009 8 0 "[ . 1 . 2]" 3
458 1 100 ASN HA 1 100 ASN HD21 3.650 . 5.500 3.428 2.528 4.538 . 0 0 "[ . 1 . 2]" 3
459 1 100 ASN HB3 1 100 ASN HD22 3.650 . 5.500 3.600 3.448 4.043 . 0 0 "[ . 1 . 2]" 3
460 1 100 ASN HB2 1 100 ASN HD22 3.650 . 5.500 3.844 3.423 4.043 . 0 0 "[ . 1 . 2]" 3
461 1 27 TYR H 1 29 GLY HA2 3.650 . 5.500 5.318 5.132 5.507 0.007 2 0 "[ . 1 . 2]" 3
462 1 12 ALA MB 1 27 TYR H 3.650 . 5.500 4.892 4.528 5.362 . 0 0 "[ . 1 . 2]" 3
463 1 15 ILE MD 1 27 TYR H 3.650 . 5.500 4.348 4.225 4.572 . 0 0 "[ . 1 . 2]" 3
464 1 14 LEU MD1 1 17 ALA H 3.650 . 5.500 3.545 3.111 3.895 . 0 0 "[ . 1 . 2]" 3
465 1 14 LEU MD2 1 17 ALA H 3.650 . 5.500 3.112 2.464 4.084 . 0 0 "[ . 1 . 2]" 3
466 1 115 TYR HA 1 118 ASN H 3.650 . 5.500 5.338 4.989 5.533 0.033 12 0 "[ . 1 . 2]" 3
467 1 79 GLY HA3 1 118 ASN H 3.650 . 5.500 3.821 3.134 5.621 0.121 13 0 "[ . 1 . 2]" 3
468 1 78 LYS QG 1 118 ASN H 3.650 . 5.500 4.984 3.972 5.607 0.107 4 0 "[ . 1 . 2]" 3
469 1 114 VAL MG1 1 118 ASN H 3.650 . 5.500 4.802 4.238 5.516 0.016 11 0 "[ . 1 . 2]" 3
470 1 27 TYR QE 1 28 LYS H 3.650 . 5.500 4.940 4.497 5.164 . 0 0 "[ . 1 . 2]" 3
471 1 11 PRO HG2 1 28 LYS H 3.650 . 5.500 4.801 3.869 5.514 0.014 3 0 "[ . 1 . 2]" 3
472 1 72 ILE MD 1 95 ASP H 3.650 . 5.500 5.142 4.851 5.528 0.028 2 0 "[ . 1 . 2]" 3
473 1 18 ILE HA 1 24 LYS H 3.650 . 5.500 5.344 5.096 5.511 0.011 13 0 "[ . 1 . 2]" 3
474 1 25 LEU H 1 31 PRO HA 3.650 . 5.500 4.524 4.340 4.750 . 0 0 "[ . 1 . 2]" 3
475 1 93 TYR QD 1 98 MET H 3.650 . 5.500 3.548 2.887 4.100 . 0 0 "[ . 1 . 2]" 3
476 1 75 GLU H 1 92 ILE H 3.650 . 5.500 4.612 4.460 4.738 . 0 0 "[ . 1 . 2]" 3
477 1 75 GLU H 1 93 TYR QD 3.650 . 5.500 3.285 3.120 3.744 . 0 0 "[ . 1 . 2]" 3
478 1 75 GLU H 1 92 ILE HG12 3.650 . 5.500 4.351 4.287 4.438 . 0 0 "[ . 1 . 2]" 3
479 1 74 VAL MG1 1 75 GLU H 3.650 . 5.500 4.062 4.022 4.122 . 0 0 "[ . 1 . 2]" 3
480 1 76 PHE H 1 76 PHE QE 3.650 . 5.500 4.491 4.343 4.676 . 0 0 "[ . 1 . 2]" 3
481 1 76 PHE H 1 76 PHE HZ 4.150 . 6.500 6.024 5.819 6.248 . 0 0 "[ . 1 . 2]" 3
482 1 10 GLU QG 1 76 PHE H 3.650 . 5.500 3.913 3.660 4.672 . 0 0 "[ . 1 . 2]" 3
483 1 72 ILE HA 1 93 TYR H 3.650 . 5.500 4.608 4.418 4.946 . 0 0 "[ . 1 . 2]" 3
484 1 93 TYR H 1 99 VAL MG2 3.650 . 5.500 4.078 3.772 4.407 . 0 0 "[ . 1 . 2]" 3
485 1 92 ILE MD 1 93 TYR H 3.650 . 5.500 4.988 4.835 5.079 . 0 0 "[ . 1 . 2]" 3
486 1 34 PHE H 1 92 ILE MD 3.650 . 5.500 4.658 4.375 5.117 . 0 0 "[ . 1 . 2]" 3
487 1 33 THR H 1 34 PHE QD 3.650 . 5.500 4.331 4.065 4.533 . 0 0 "[ . 1 . 2]" 3
488 1 34 PHE QD 1 88 GLY H 3.650 . 5.500 3.785 3.440 3.945 . 0 0 "[ . 1 . 2]" 3
489 1 34 PHE QD 1 89 LEU H 3.650 . 5.500 4.402 4.129 4.674 . 0 0 "[ . 1 . 2]" 3
490 1 94 ALA H 1 98 MET QG 4.150 . 6.500 5.609 5.240 6.267 . 0 0 "[ . 1 . 2]" 3
491 1 70 LYS H 1 94 ALA MB 3.650 . 5.500 5.340 4.713 5.538 0.038 1 0 "[ . 1 . 2]" 3
492 1 27 TYR HB3 1 32 MET H 3.650 . 5.500 3.997 3.715 4.147 . 0 0 "[ . 1 . 2]" 3
493 1 14 LEU H 1 66 VAL HB 3.650 . 5.500 4.773 4.289 5.290 . 0 0 "[ . 1 . 2]" 3
494 1 115 TYR QD 1 116 LYS H 3.650 . 5.500 4.177 3.617 4.727 . 0 0 "[ . 1 . 2]" 3
495 1 76 PHE QD 1 89 LEU H 3.650 . 5.500 3.327 2.694 3.562 . 0 0 "[ . 1 . 2]" 3
496 1 20 GLY HA2 1 58 ALA H 3.650 . 5.500 5.439 4.833 5.598 0.098 15 0 "[ . 1 . 2]" 3
497 1 58 ALA H 1 108 LEU HB2 3.650 . 5.500 5.203 4.409 5.528 0.028 7 0 "[ . 1 . 2]" 3
498 1 80 GLN H 1 80 GLN HE21 3.650 . 5.500 4.612 3.935 5.085 . 0 0 "[ . 1 . 2]" 3
499 1 34 PHE QD 1 35 ARG H 3.650 . 5.500 3.996 3.533 4.674 . 0 0 "[ . 1 . 2]" 3
500 1 33 THR MG 1 35 ARG H 4.150 . 6.500 4.725 4.093 5.155 . 0 0 "[ . 1 . 2]" 3
501 1 35 ARG H 1 92 ILE MD 3.650 . 5.500 4.954 4.447 5.517 0.017 2 0 "[ . 1 . 2]" 3
502 1 138 ASN HD22 1 139 ILE H 3.650 . 5.500 4.913 3.274 5.541 0.041 11 0 "[ . 1 . 2]" 3
503 1 139 ILE H 1 140 TRP HD1 3.650 . 5.500 4.055 3.884 4.436 . 0 0 "[ . 1 . 2]" 3
504 1 4 THR HA 1 5 LYS H 3.650 . 5.500 2.158 2.062 2.306 . 0 0 "[ . 1 . 2]" 3
505 1 114 VAL H 1 114 VAL MG1 3.650 . 5.500 3.721 3.684 3.764 . 0 0 "[ . 1 . 2]" 3
506 1 10 GLU H 1 27 TYR QE 3.650 . 5.500 4.675 4.389 4.986 . 0 0 "[ . 1 . 2]" 3
507 1 111 VAL H 1 140 TRP HZ2 3.650 . 5.500 3.954 3.478 4.613 . 0 0 "[ . 1 . 2]" 3
508 1 111 VAL H 1 140 TRP HH2 3.650 . 5.500 4.788 4.232 5.538 0.038 16 0 "[ . 1 . 2]" 3
509 1 111 VAL H 1 129 GLU HA 3.650 . 5.500 5.181 4.768 5.406 . 0 0 "[ . 1 . 2]" 3
510 1 104 VAL QG 1 111 VAL H 3.650 . 5.500 3.463 3.125 3.767 . 0 0 "[ . 1 . 2]" 3
511 1 72 ILE MD 1 73 GLU H 3.650 . 5.500 5.078 4.874 5.218 . 0 0 "[ . 1 . 2]" 3
512 1 73 GLU H 1 74 VAL MG1 3.650 . 5.500 4.338 4.169 4.505 . 0 0 "[ . 1 . 2]" 3
513 1 25 LEU MD2 1 73 GLU H 3.650 . 5.500 5.431 5.136 5.553 0.053 13 0 "[ . 1 . 2]" 3
514 1 76 PHE QD 1 77 ASP H 3.650 . 5.500 3.797 3.506 4.120 . 0 0 "[ . 1 . 2]" 3
515 1 60 ALA H 1 61 PHE HB2 3.650 . 5.500 4.627 4.354 4.939 . 0 0 "[ . 1 . 2]" 3
516 1 91 TYR H 1 91 TYR QE 3.650 . 5.500 4.313 4.125 4.729 . 0 0 "[ . 1 . 2]" 3
517 1 91 TYR H 1 100 ASN HD22 3.650 . 5.500 5.321 4.459 5.615 0.115 9 0 "[ . 1 . 2]" 3
518 1 91 TYR H 1 92 ILE MD 4.150 . 6.500 5.768 5.656 5.905 . 0 0 "[ . 1 . 2]" 3
519 1 124 LEU MD1 1 127 LYS H 3.650 . 5.500 4.941 4.586 5.255 . 0 0 "[ . 1 . 2]" 3
520 1 92 ILE H 1 99 VAL H 3.650 . 5.500 4.472 4.156 5.238 . 0 0 "[ . 1 . 2]" 3
521 1 134 LYS H 1 134 LYS QE 3.650 . 5.500 4.485 3.626 5.133 . 0 0 "[ . 1 . 2]" 3
522 1 58 ALA MB 1 61 PHE H 3.650 . 5.500 4.598 4.364 4.718 . 0 0 "[ . 1 . 2]" 3
523 1 71 LYS H 1 95 ASP HB3 3.650 . 5.500 4.364 2.157 5.025 . 0 0 "[ . 1 . 2]" 3
524 1 71 LYS H 1 71 LYS QE 3.650 . 5.500 4.554 3.897 5.160 . 0 0 "[ . 1 . 2]" 3
525 1 85 TYR H 1 87 ARG H 3.650 . 5.500 3.516 3.354 3.836 . 0 0 "[ . 1 . 2]" 3
526 1 93 TYR QD 1 97 LYS H 3.650 . 5.500 4.226 3.534 4.646 . 0 0 "[ . 1 . 2]" 3
527 1 97 LYS H 1 99 VAL MG2 3.650 . 5.500 4.991 4.669 5.300 . 0 0 "[ . 1 . 2]" 3
528 1 69 ALA H 1 94 ALA MB 3.650 . 5.500 3.907 3.399 4.125 . 0 0 "[ . 1 . 2]" 3
529 1 83 ASP H 1 89 LEU H 3.650 . 5.500 4.036 3.688 4.491 . 0 0 "[ . 1 . 2]" 3
530 1 58 ALA MB 1 62 THR H 3.650 . 5.500 4.351 3.910 4.623 . 0 0 "[ . 1 . 2]" 3
531 1 62 THR H 1 108 LEU HB2 4.150 . 6.500 6.248 5.991 6.503 0.003 16 0 "[ . 1 . 2]" 3
532 1 91 TYR QE 1 122 GLU H 3.650 . 5.500 4.475 3.782 5.525 0.025 13 0 "[ . 1 . 2]" 3
533 1 120 THR MG 1 122 GLU H 3.650 . 5.500 4.992 4.745 5.243 . 0 0 "[ . 1 . 2]" 3
534 1 34 PHE QD 1 90 ALA H 3.650 . 5.500 2.958 2.685 3.274 . 0 0 "[ . 1 . 2]" 3
535 1 90 ALA H 1 92 ILE MD 3.650 . 5.500 4.460 4.213 4.686 . 0 0 "[ . 1 . 2]" 3
536 1 139 ILE MD 1 140 TRP H 3.650 . 5.500 4.626 4.342 5.067 . 0 0 "[ . 1 . 2]" 3
537 1 12 ALA H 1 25 LEU MD2 4.150 . 6.500 5.122 4.783 5.376 . 0 0 "[ . 1 . 2]" 3
538 1 130 ALA H 1 131 GLN QG 4.150 . 6.500 5.944 4.665 6.411 . 0 0 "[ . 1 . 2]" 3
539 1 8 HIS H 1 8 HIS HD2 3.650 . 5.500 2.679 2.334 3.059 . 0 0 "[ . 1 . 2]" 3
540 1 8 HIS H 1 75 GLU HA 3.650 . 5.500 3.730 3.373 4.398 . 0 0 "[ . 1 . 2]" 3
541 1 138 ASN H 1 138 ASN HD21 3.650 . 5.500 2.399 1.930 3.571 . 0 0 "[ . 1 . 2]" 3
542 1 138 ASN H 1 138 ASN HD22 3.650 . 5.500 3.404 3.065 3.794 . 0 0 "[ . 1 . 2]" 3
543 1 125 LEU MD1 1 126 ARG H 3.650 . 5.500 4.592 4.470 4.748 . 0 0 "[ . 1 . 2]" 3
544 1 121 HIS HB2 1 125 LEU H 3.650 . 5.500 5.049 4.672 5.535 0.035 17 0 "[ . 1 . 2]" 3
545 1 124 LEU MD1 1 128 SER H 3.650 . 5.500 4.324 3.841 5.084 . 0 0 "[ . 1 . 2]" 3
546 1 23 VAL H 1 34 PHE QD 4.150 . 6.500 5.123 4.721 5.441 . 0 0 "[ . 1 . 2]" 3
547 1 23 VAL H 1 23 VAL MG1 3.650 . 5.500 3.121 3.042 3.192 . 0 0 "[ . 1 . 2]" 3
548 1 74 VAL H 1 93 TYR QD 3.650 . 5.500 5.059 4.736 5.416 . 0 0 "[ . 1 . 2]" 3
549 1 114 VAL MG1 1 123 GLN H 4.150 . 6.500 5.929 5.517 6.500 . 0 0 "[ . 1 . 2]" 3
550 1 91 TYR QE 1 119 ASN H 3.650 . 5.500 5.054 4.130 5.554 0.054 12 0 "[ . 1 . 2]" 3
551 1 119 ASN H 1 119 ASN HD22 4.150 . 6.500 4.858 3.610 6.205 . 0 0 "[ . 1 . 2]" 3
552 1 78 LYS QD 1 119 ASN H 3.650 . 5.500 4.661 3.332 5.367 . 0 0 "[ . 1 . 2]" 3
553 1 40 ASP HB3 1 110 LYS H 3.650 . 5.500 3.837 2.647 4.558 . 0 0 "[ . 1 . 2]" 3
554 1 41 THR MG 1 110 LYS H 3.650 . 5.500 3.921 3.566 4.275 . 0 0 "[ . 1 . 2]" 3
555 1 133 LYS H 1 140 TRP HD1 3.650 . 5.500 4.414 4.012 4.739 . 0 0 "[ . 1 . 2]" 3
556 1 131 GLN HB3 1 133 LYS H 3.650 . 5.500 4.859 4.638 5.408 . 0 0 "[ . 1 . 2]" 3
557 1 137 LEU H 1 140 TRP HD1 3.650 . 5.500 3.319 2.784 3.848 . 0 0 "[ . 1 . 2]" 3
558 1 137 LEU H 1 140 TRP HA 3.650 . 5.500 5.512 5.405 5.565 0.065 18 0 "[ . 1 . 2]" 3
559 1 132 ALA MB 1 136 LYS H 3.650 . 5.500 5.003 4.796 5.219 . 0 0 "[ . 1 . 2]" 3
560 1 133 LYS HB2 1 136 LYS H 3.650 . 5.500 5.415 5.270 5.527 0.027 11 0 "[ . 1 . 2]" 3
561 1 147 SER H 1 147 SER HB2 3.650 . 5.500 2.963 2.421 3.656 . 0 0 "[ . 1 . 2]" 3
562 1 137 LEU HB2 1 141 SER H 3.650 . 5.500 5.492 5.366 5.551 0.051 17 0 "[ . 1 . 2]" 3
563 1 139 ILE HG12 1 141 SER H 3.650 . 5.500 5.354 5.053 5.504 0.004 12 0 "[ . 1 . 2]" 3
564 1 108 LEU H 1 139 ILE MD 3.650 . 5.500 4.068 3.627 5.507 0.007 9 0 "[ . 1 . 2]" 3
565 1 22 THR H 1 35 ARG QG 3.650 . 5.500 4.288 3.507 5.015 . 0 0 "[ . 1 . 2]" 3
566 1 22 THR H 1 62 THR MG 3.650 . 5.500 4.786 3.309 5.497 . 0 0 "[ . 1 . 2]" 3
567 1 106 GLN HB3 1 109 ALA H 3.650 . 5.500 5.446 5.185 5.593 0.093 16 0 "[ . 1 . 2]" 3
568 1 103 LEU MD1 1 109 ALA H 3.650 . 5.500 5.273 5.032 5.548 0.048 9 0 "[ . 1 . 2]" 3
569 1 19 ASP H 1 19 ASP HB2 3.650 . 5.500 3.372 2.722 4.118 . 0 0 "[ . 1 . 2]" 3
570 1 106 GLN H 1 132 ALA MB 3.650 . 5.500 4.197 3.946 4.552 . 0 0 "[ . 1 . 2]" 3
571 1 21 ASP H 1 59 SER HA 3.650 . 5.500 5.171 4.767 5.512 0.012 3 0 "[ . 1 . 2]" 3
572 1 79 GLY H 1 117 PRO HB2 3.650 . 5.500 4.000 3.186 5.156 . 0 0 "[ . 1 . 2]" 3
573 1 100 ASN H 1 100 ASN HD22 3.650 . 5.500 4.182 3.235 5.503 0.003 8 0 "[ . 1 . 2]" 3
574 1 91 TYR HA 1 100 ASN H 3.650 . 5.500 4.903 4.589 5.434 . 0 0 "[ . 1 . 2]" 3
575 1 13 THR H 1 26 MET HG2 3.650 . 5.500 4.634 4.353 4.955 . 0 0 "[ . 1 . 2]" 3
576 1 85 TYR QD 1 86 GLY H 3.650 . 5.500 4.745 4.350 4.909 . 0 0 "[ . 1 . 2]" 3
577 1 118 ASN H 1 118 ASN HD21 3.650 . 5.500 4.697 2.918 4.935 . 0 0 "[ . 1 . 2]" 3
578 1 80 GLN H 1 118 ASN HD21 3.650 . 5.500 4.196 3.752 5.120 . 0 0 "[ . 1 . 2]" 3
579 1 118 ASN HA 1 118 ASN HD22 3.650 . 5.500 4.238 3.869 4.567 . 0 0 "[ . 1 . 2]" 3
580 1 80 GLN HB3 1 118 ASN HD21 4.150 . 6.500 6.089 5.004 6.511 0.011 1 0 "[ . 1 . 2]" 3
581 1 80 GLN HB2 1 118 ASN HD21 4.150 . 6.500 5.245 3.694 6.206 . 0 0 "[ . 1 . 2]" 3
582 1 89 LEU HB3 1 118 ASN HD21 3.650 . 5.500 3.146 2.202 5.510 0.010 9 0 "[ . 1 . 2]" 3
583 1 89 LEU HB2 1 118 ASN HD21 3.650 . 5.500 3.542 2.500 5.592 0.092 9 0 "[ . 1 . 2]" 3
584 1 89 LEU MD2 1 118 ASN HD22 3.650 . 5.500 4.863 3.073 5.579 0.079 4 0 "[ . 1 . 2]" 3
585 1 89 LEU MD2 1 118 ASN HD21 3.650 . 5.500 4.553 3.165 5.511 0.011 9 0 "[ . 1 . 2]" 3
586 1 107 GLY H 1 137 LEU MD1 3.650 . 5.500 3.805 3.161 4.910 . 0 0 "[ . 1 . 2]" 3
587 1 81 ARG HD3 1 82 THR H 4.150 . 6.500 5.922 5.127 6.197 . 0 0 "[ . 1 . 2]" 3
588 1 93 TYR QD 1 96 GLY H 3.650 . 5.500 4.377 3.799 4.650 . 0 0 "[ . 1 . 2]" 3
589 1 27 TYR QD 1 29 GLY H 3.650 . 5.500 5.493 5.407 5.542 0.042 10 0 "[ . 1 . 2]" 3
590 1 131 GLN HE22 1 137 LEU MD1 3.650 . 5.500 4.284 2.262 5.504 0.004 8 0 "[ . 1 . 2]" 3
591 1 106 GLN H 1 137 LEU MD1 3.650 . 5.500 4.564 3.911 5.510 0.010 7 0 "[ . 1 . 2]" 3
592 1 114 VAL MG1 1 119 ASN HD22 3.650 . 5.500 4.149 2.279 4.870 . 0 0 "[ . 1 . 2]" 3
593 1 69 ALA MB 1 96 GLY H 3.650 . 5.500 4.489 4.074 5.291 . 0 0 "[ . 1 . 2]" 3
594 1 57 GLU QB 1 58 ALA H 3.650 . 5.500 2.976 1.855 3.909 . 0 0 "[ . 1 . 2]" 3
595 1 57 GLU QG 1 58 ALA H 3.650 . 5.500 3.766 1.808 4.644 . 0 0 "[ . 1 . 2]" 3
596 1 20 GLY H 1 41 THR MG 3.650 . 5.500 3.923 3.295 4.877 . 0 0 "[ . 1 . 2]" 3
597 1 20 GLY H 1 41 THR HB 3.650 . 5.500 4.085 3.294 5.530 0.030 1 0 "[ . 1 . 2]" 3
598 1 40 ASP H 1 112 ALA H 3.150 . 4.500 4.012 3.685 4.245 . 0 0 "[ . 1 . 2]" 3
599 1 39 VAL HA 1 112 ALA H 3.150 . 4.500 2.731 2.241 3.230 . 0 0 "[ . 1 . 2]" 3
600 1 114 VAL HA 1 115 TYR H 2.650 . 3.500 2.142 2.054 2.228 . 0 0 "[ . 1 . 2]" 3
601 1 115 TYR H 1 115 TYR QB 3.150 . 4.500 2.467 2.240 2.661 . 0 0 "[ . 1 . 2]" 3
602 1 27 TYR H 1 30 GLN H 3.150 . 3.500 3.206 2.927 3.513 0.013 15 0 "[ . 1 . 2]" 3
603 1 27 TYR H 1 27 TYR HB3 3.150 . 4.500 2.437 2.275 2.555 . 0 0 "[ . 1 . 2]" 3
604 1 27 TYR H 1 27 TYR HB2 3.150 . 4.500 2.976 2.882 3.127 . 0 0 "[ . 1 . 2]" 3
605 1 26 MET HG3 1 27 TYR H 3.150 . 4.500 3.670 3.363 3.858 . 0 0 "[ . 1 . 2]" 3
606 1 26 MET HB3 1 27 TYR H 3.150 . 4.500 4.262 4.166 4.335 . 0 0 "[ . 1 . 2]" 3
607 1 26 MET HG2 1 27 TYR H 3.150 . 4.500 3.575 3.303 3.737 . 0 0 "[ . 1 . 2]" 3
608 1 27 TYR H 1 32 MET HB2 3.150 . 4.500 4.116 3.690 4.510 0.010 5 0 "[ . 1 . 2]" 3
609 1 26 MET HB2 1 27 TYR H 3.150 . 4.500 4.428 4.352 4.514 0.014 6 0 "[ . 1 . 2]" 3
610 1 17 ALA H 1 17 ALA MB 3.150 . 4.500 2.284 2.247 2.351 . 0 0 "[ . 1 . 2]" 3
611 1 71 LYS HB2 1 72 ILE H 2.650 . 3.500 3.343 2.798 3.576 0.076 4 0 "[ . 1 . 2]" 3
612 1 72 ILE H 1 72 ILE HG13 2.650 . 3.500 2.558 2.380 2.774 . 0 0 "[ . 1 . 2]" 3
613 1 72 ILE H 1 72 ILE MG 3.150 . 4.500 3.811 3.769 3.841 . 0 0 "[ . 1 . 2]" 3
614 1 118 ASN H 1 119 ASN H 3.150 . 4.500 3.936 3.652 4.212 . 0 0 "[ . 1 . 2]" 3
615 1 117 PRO HA 1 118 ASN H 2.650 . 3.500 3.251 3.157 3.328 . 0 0 "[ . 1 . 2]" 3
616 1 116 LYS HA 1 118 ASN H 2.650 . 3.500 2.347 2.093 2.582 . 0 0 "[ . 1 . 2]" 3
617 1 117 PRO HB2 1 118 ASN H 3.150 . 4.500 4.004 3.825 4.225 . 0 0 "[ . 1 . 2]" 3
618 1 116 LYS QB 1 118 ASN H 3.150 . 4.500 4.080 3.868 4.410 . 0 0 "[ . 1 . 2]" 3
619 1 28 LYS H 1 29 GLY H 3.150 . 3.500 2.664 2.571 2.784 . 0 0 "[ . 1 . 2]" 3
620 1 27 TYR HB2 1 28 LYS H 3.150 . 4.500 4.405 4.290 4.505 0.005 4 0 "[ . 1 . 2]" 3
621 1 28 LYS H 1 28 LYS HB3 3.150 . 4.500 4.044 3.973 4.078 . 0 0 "[ . 1 . 2]" 3
622 1 28 LYS H 1 28 LYS HG3 2.650 . 3.500 2.899 2.687 3.013 . 0 0 "[ . 1 . 2]" 3
623 1 28 LYS H 1 28 LYS HG2 3.150 . 4.500 3.383 3.204 3.560 . 0 0 "[ . 1 . 2]" 3
624 1 95 ASP H 1 96 GLY H 3.150 . 4.500 2.616 2.321 3.161 . 0 0 "[ . 1 . 2]" 3
625 1 71 LYS H 1 95 ASP H 3.150 . 4.500 3.461 2.829 3.877 . 0 0 "[ . 1 . 2]" 3
626 1 72 ILE HA 1 95 ASP H 3.150 . 4.500 2.927 2.533 3.346 . 0 0 "[ . 1 . 2]" 3
627 1 95 ASP H 1 95 ASP HB3 3.150 . 4.500 3.626 2.996 3.868 . 0 0 "[ . 1 . 2]" 3
628 1 95 ASP H 1 95 ASP HB2 3.150 . 4.500 3.216 2.781 4.068 . 0 0 "[ . 1 . 2]" 3
629 1 69 ALA MB 1 95 ASP H 3.150 . 4.500 2.297 2.044 2.674 . 0 0 "[ . 1 . 2]" 3
630 1 23 VAL HA 1 24 LYS H 2.650 . 3.500 2.376 2.229 2.478 . 0 0 "[ . 1 . 2]" 3
631 1 24 LYS H 1 24 LYS HB3 3.150 . 4.500 2.721 2.657 2.797 . 0 0 "[ . 1 . 2]" 3
632 1 23 VAL HB 1 24 LYS H 2.650 . 3.500 2.486 2.288 2.814 . 0 0 "[ . 1 . 2]" 3
633 1 18 ILE MD 1 24 LYS H 3.150 . 4.500 3.787 3.564 4.098 . 0 0 "[ . 1 . 2]" 3
634 1 24 LYS H 1 24 LYS QG 3.150 . 4.500 4.058 3.989 4.105 . 0 0 "[ . 1 . 2]" 3
635 1 24 LYS HA 1 25 LEU H 2.300 . 2.800 2.098 2.034 2.139 . 0 0 "[ . 1 . 2]" 3
636 1 25 LEU H 1 33 THR HA 3.150 . 4.500 3.442 3.143 3.637 . 0 0 "[ . 1 . 2]" 3
637 1 25 LEU H 1 25 LEU HB3 3.150 . 4.500 3.358 3.236 3.425 . 0 0 "[ . 1 . 2]" 3
638 1 24 LYS HB2 1 25 LEU H 3.150 . 4.500 4.387 4.293 4.480 . 0 0 "[ . 1 . 2]" 3
639 1 25 LEU H 1 25 LEU HG 3.150 . 4.500 2.384 2.212 2.497 . 0 0 "[ . 1 . 2]" 3
640 1 25 LEU H 1 25 LEU MD1 3.150 . 4.500 2.802 2.675 2.959 . 0 0 "[ . 1 . 2]" 3
641 1 97 LYS H 1 98 MET H 3.150 . 4.500 4.438 4.329 4.529 0.029 13 0 "[ . 1 . 2]" 3
642 1 98 MET H 1 98 MET QB 2.650 . 3.500 2.425 2.207 2.793 . 0 0 "[ . 1 . 2]" 3
643 1 98 MET H 1 98 MET QG 3.150 . 4.500 3.493 2.001 4.037 . 0 0 "[ . 1 . 2]" 3
644 1 75 GLU H 1 91 TYR H 3.150 . 4.500 2.867 2.625 2.999 . 0 0 "[ . 1 . 2]" 3
645 1 75 GLU H 1 92 ILE HA 3.150 . 4.500 3.272 3.117 3.427 . 0 0 "[ . 1 . 2]" 3
646 1 75 GLU H 1 90 ALA HA 3.150 . 4.500 4.262 3.862 4.531 0.031 6 0 "[ . 1 . 2]" 3
647 1 75 GLU H 1 91 TYR HB3 3.150 . 4.500 4.528 4.381 4.575 0.075 12 0 "[ . 1 . 2]" 3
648 1 75 GLU H 1 75 GLU HB3 3.150 . 4.500 2.530 2.395 2.602 . 0 0 "[ . 1 . 2]" 3
649 1 75 GLU H 1 75 GLU HG2 3.150 . 4.500 4.458 4.365 4.503 0.003 13 0 "[ . 1 . 2]" 3
650 1 75 GLU H 1 75 GLU HB2 3.150 . 4.500 2.815 2.719 2.923 . 0 0 "[ . 1 . 2]" 3
651 1 74 VAL HB 1 75 GLU H 3.150 . 4.500 3.429 3.255 3.526 . 0 0 "[ . 1 . 2]" 3
652 1 75 GLU H 1 90 ALA MB 3.150 . 4.500 2.580 2.482 2.693 . 0 0 "[ . 1 . 2]" 3
653 1 76 PHE H 1 76 PHE HA 2.650 . 3.500 2.903 2.881 2.923 . 0 0 "[ . 1 . 2]" 3
654 1 76 PHE H 1 76 PHE HB3 3.150 . 4.500 3.652 3.601 3.673 . 0 0 "[ . 1 . 2]" 3
655 1 75 GLU HG3 1 76 PHE H 3.150 . 4.500 3.606 3.382 3.861 . 0 0 "[ . 1 . 2]" 3
656 1 75 GLU HG2 1 76 PHE H 3.150 . 4.500 3.561 3.319 3.779 . 0 0 "[ . 1 . 2]" 3
657 1 75 GLU HB2 1 76 PHE H 3.150 . 4.500 4.371 4.311 4.430 . 0 0 "[ . 1 . 2]" 3
658 1 73 GLU H 1 93 TYR H 3.150 . 4.500 2.926 2.730 3.094 . 0 0 "[ . 1 . 2]" 3
659 1 74 VAL HA 1 93 TYR H 3.150 . 4.500 3.338 3.115 3.557 . 0 0 "[ . 1 . 2]" 3
660 1 93 TYR H 1 93 TYR HB3 3.150 . 4.500 3.668 3.614 3.728 . 0 0 "[ . 1 . 2]" 3
661 1 93 TYR H 1 93 TYR HB2 3.150 . 4.500 2.490 2.412 2.577 . 0 0 "[ . 1 . 2]" 3
662 1 92 ILE HB 1 93 TYR H 3.150 . 4.500 4.156 4.049 4.245 . 0 0 "[ . 1 . 2]" 3
663 1 92 ILE MG 1 93 TYR H 3.150 . 4.500 2.620 2.427 2.797 . 0 0 "[ . 1 . 2]" 3
664 1 25 LEU H 1 34 PHE H 3.150 . 4.500 4.190 3.921 4.442 . 0 0 "[ . 1 . 2]" 3
665 1 33 THR H 1 34 PHE H 3.150 . 4.500 4.432 4.338 4.502 0.002 11 0 "[ . 1 . 2]" 3
666 1 23 VAL H 1 34 PHE H 3.150 . 4.500 2.941 2.780 3.124 . 0 0 "[ . 1 . 2]" 3
667 1 24 LYS HA 1 34 PHE H 3.150 . 4.500 3.103 2.930 3.239 . 0 0 "[ . 1 . 2]" 3
668 1 34 PHE H 1 34 PHE HB3 3.150 . 4.500 3.656 3.605 3.713 . 0 0 "[ . 1 . 2]" 3
669 1 24 LYS QG 1 34 PHE H 3.150 . 4.500 4.532 4.424 4.593 0.093 18 0 "[ . 1 . 2]" 3
670 1 33 THR MG 1 34 PHE H 3.150 . 4.500 2.637 2.392 2.803 . 0 0 "[ . 1 . 2]" 3
671 1 23 VAL MG2 1 34 PHE H 3.150 . 4.500 3.205 2.944 3.484 . 0 0 "[ . 1 . 2]" 3
672 1 94 ALA H 1 99 VAL H 3.150 . 4.500 3.255 2.991 3.465 . 0 0 "[ . 1 . 2]" 3
673 1 94 ALA H 1 97 LYS H 2.650 . 3.500 3.160 2.950 3.293 . 0 0 "[ . 1 . 2]" 3
674 1 94 ALA H 1 94 ALA HA 2.650 . 3.500 2.931 2.914 2.959 . 0 0 "[ . 1 . 2]" 3
675 1 93 TYR HB3 1 94 ALA H 3.150 . 4.500 3.325 3.127 3.465 . 0 0 "[ . 1 . 2]" 3
676 1 93 TYR HB2 1 94 ALA H 3.150 . 4.500 4.217 4.080 4.295 . 0 0 "[ . 1 . 2]" 3
677 1 94 ALA H 1 97 LYS HB2 3.150 . 4.500 3.475 3.097 3.806 . 0 0 "[ . 1 . 2]" 3
678 1 94 ALA H 1 94 ALA MB 3.150 . 4.500 2.293 2.214 2.399 . 0 0 "[ . 1 . 2]" 3
679 1 94 ALA H 1 99 VAL MG2 3.150 . 4.500 2.442 2.279 2.779 . 0 0 "[ . 1 . 2]" 3
680 1 69 ALA H 1 70 LYS H 3.150 . 4.500 4.498 4.386 4.536 0.036 13 0 "[ . 1 . 2]" 3
681 1 70 LYS H 1 70 LYS HA 2.650 . 3.500 2.857 2.815 2.902 . 0 0 "[ . 1 . 2]" 3
682 1 70 LYS H 1 70 LYS HB3 2.650 . 3.500 3.556 3.522 3.599 0.099 3 0 "[ . 1 . 2]" 3
683 1 70 LYS H 1 70 LYS HB2 2.650 . 3.500 2.401 2.277 2.687 . 0 0 "[ . 1 . 2]" 3
684 1 69 ALA MB 1 70 LYS H 3.150 . 4.500 2.930 2.531 3.200 . 0 0 "[ . 1 . 2]" 3
685 1 25 LEU H 1 32 MET H 3.150 . 4.500 3.131 2.980 3.220 . 0 0 "[ . 1 . 2]" 3
686 1 27 TYR H 1 32 MET H 3.150 . 4.500 3.397 3.192 3.569 . 0 0 "[ . 1 . 2]" 3
687 1 32 MET H 1 33 THR H 3.150 . 4.500 4.273 4.177 4.350 . 0 0 "[ . 1 . 2]" 3
688 1 24 LYS HA 1 32 MET H 3.150 . 4.500 4.409 4.163 4.516 0.016 16 0 "[ . 1 . 2]" 3
689 1 32 MET H 1 32 MET HA 2.650 . 3.500 2.897 2.858 2.914 . 0 0 "[ . 1 . 2]" 3
690 1 32 MET H 1 32 MET HG3 3.150 . 4.500 4.512 3.725 4.571 0.071 15 0 "[ . 1 . 2]" 3
691 1 31 PRO HB2 1 32 MET H 3.150 . 4.500 3.762 3.570 3.842 . 0 0 "[ . 1 . 2]" 3
692 1 24 LYS QG 1 32 MET H 3.150 . 4.500 3.395 2.937 3.665 . 0 0 "[ . 1 . 2]" 3
693 1 15 ILE MD 1 32 MET H 3.150 . 4.500 3.593 3.311 3.882 . 0 0 "[ . 1 . 2]" 3
694 1 13 THR H 1 14 LEU H 3.150 . 4.500 4.300 4.221 4.402 . 0 0 "[ . 1 . 2]" 3
695 1 14 LEU H 1 72 ILE HG13 3.150 . 4.500 4.201 3.808 4.509 0.009 5 0 "[ . 1 . 2]" 3
696 1 13 THR MG 1 14 LEU H 3.150 . 4.500 2.536 2.407 2.788 . 0 0 "[ . 1 . 2]" 3
697 1 14 LEU H 1 72 ILE MD 3.150 . 4.500 1.995 1.900 2.133 . 0 0 "[ . 1 . 2]" 3
698 1 115 TYR HA 1 116 LYS H 2.650 . 3.500 2.157 1.987 2.330 . 0 0 "[ . 1 . 2]" 3
699 1 116 LYS H 1 116 LYS QB 2.650 . 3.500 2.325 2.097 2.433 . 0 0 "[ . 1 . 2]" 3
700 1 116 LYS H 1 116 LYS QD 3.150 . 4.500 3.795 3.412 4.482 . 0 0 "[ . 1 . 2]" 3
701 1 116 LYS H 1 116 LYS HG3 3.150 . 4.500 2.500 2.118 4.247 . 0 0 "[ . 1 . 2]" 3
702 1 116 LYS H 1 116 LYS HG2 3.150 . 4.500 3.717 3.497 4.420 . 0 0 "[ . 1 . 2]" 3
703 1 15 ILE H 1 16 LYS H 2.650 . 3.500 2.264 2.087 2.373 . 0 0 "[ . 1 . 2]" 3
704 1 15 ILE H 1 25 LEU HA 3.150 . 4.500 2.047 1.855 2.497 . 0 0 "[ . 1 . 2]" 3
705 1 14 LEU HA 1 15 ILE H 2.650 . 3.500 2.202 2.140 2.260 . 0 0 "[ . 1 . 2]" 3
706 1 14 LEU HB3 1 15 ILE H 3.150 . 4.500 3.928 3.669 4.067 . 0 0 "[ . 1 . 2]" 3
707 1 15 ILE H 1 15 ILE HG13 3.150 . 4.500 2.766 2.565 3.032 . 0 0 "[ . 1 . 2]" 3
708 1 15 ILE H 1 15 ILE HB 2.650 . 3.500 2.568 2.485 2.871 . 0 0 "[ . 1 . 2]" 3
709 1 14 LEU HG 1 15 ILE H 2.650 . 3.500 2.408 2.031 3.847 0.347 11 0 "[ . 1 . 2]" 3
710 1 14 LEU HB2 1 15 ILE H 3.150 . 4.500 4.045 3.801 4.161 . 0 0 "[ . 1 . 2]" 3
711 1 15 ILE H 1 15 ILE HG12 3.150 . 4.500 3.865 3.725 4.073 . 0 0 "[ . 1 . 2]" 3
712 1 15 ILE H 1 15 ILE MD 3.150 . 4.500 4.003 3.849 4.265 . 0 0 "[ . 1 . 2]" 3
713 1 76 PHE QE 1 89 LEU H 3.150 . 4.500 3.025 2.595 3.510 . 0 0 "[ . 1 . 2]" 3
714 1 82 THR HA 1 89 LEU H 3.150 . 4.500 2.573 2.360 2.971 . 0 0 "[ . 1 . 2]" 3
715 1 88 GLY HA3 1 89 LEU H 2.650 . 3.500 3.065 2.962 3.161 . 0 0 "[ . 1 . 2]" 3
716 1 88 GLY HA2 1 89 LEU H 2.650 . 3.500 2.194 2.122 2.309 . 0 0 "[ . 1 . 2]" 3
717 1 89 LEU H 1 89 LEU HG 3.150 . 4.500 2.831 2.698 3.017 . 0 0 "[ . 1 . 2]" 3
718 1 89 LEU H 1 89 LEU HB2 3.150 . 4.500 2.531 2.449 2.708 . 0 0 "[ . 1 . 2]" 3
719 1 129 GLU H 1 130 ALA H 2.650 . 3.500 2.636 2.553 2.743 . 0 0 "[ . 1 . 2]" 3
720 1 128 SER H 1 129 GLU H 2.650 . 3.500 2.661 2.538 2.832 . 0 0 "[ . 1 . 2]" 3
721 1 128 SER HA 1 129 GLU H 3.150 . 4.500 3.536 3.508 3.571 . 0 0 "[ . 1 . 2]" 3
722 1 128 SER HB3 1 129 GLU H 3.150 . 4.500 3.764 3.590 3.920 . 0 0 "[ . 1 . 2]" 3
723 1 126 ARG HA 1 129 GLU H 2.650 . 3.500 3.274 2.844 3.556 0.056 16 0 "[ . 1 . 2]" 3
724 1 129 GLU H 1 129 GLU HA 2.650 . 3.500 2.813 2.786 2.833 . 0 0 "[ . 1 . 2]" 3
725 1 128 SER HB2 1 129 GLU H 3.150 . 4.500 2.693 2.456 2.999 . 0 0 "[ . 1 . 2]" 3
726 1 129 GLU H 1 129 GLU HG3 3.150 . 4.500 4.441 4.361 4.505 0.005 17 0 "[ . 1 . 2]" 3
727 1 129 GLU H 1 129 GLU HB2 2.650 . 3.500 2.561 2.484 2.689 . 0 0 "[ . 1 . 2]" 3
728 1 129 GLU H 1 130 ALA MB 3.150 . 4.500 4.281 4.206 4.385 . 0 0 "[ . 1 . 2]" 3
729 1 104 VAL QG 1 129 GLU H 3.150 . 4.500 2.549 2.436 2.674 . 0 0 "[ . 1 . 2]" 3
730 1 58 ALA H 1 58 ALA MB 3.150 . 4.500 2.209 2.176 2.247 . 0 0 "[ . 1 . 2]" 3
731 1 79 GLY HA3 1 80 GLN H 2.650 . 3.500 2.224 2.085 3.284 . 0 0 "[ . 1 . 2]" 3
732 1 80 GLN H 1 80 GLN HA 2.650 . 3.500 2.873 2.820 2.924 . 0 0 "[ . 1 . 2]" 3
733 1 80 GLN H 1 80 GLN HG3 2.650 . 3.500 2.803 2.115 3.446 . 0 0 "[ . 1 . 2]" 3
734 1 80 GLN H 1 80 GLN HB3 3.150 . 4.500 3.271 2.481 3.711 . 0 0 "[ . 1 . 2]" 3
735 1 80 GLN H 1 80 GLN HB2 2.650 . 3.500 2.947 2.320 3.555 0.055 4 0 "[ . 1 . 2]" 3
736 1 119 ASN H 1 120 THR H 2.650 . 3.500 2.314 1.774 3.339 0.026 13 0 "[ . 1 . 2]" 3
737 1 120 THR H 1 121 HIS H 3.150 . 4.500 2.495 1.893 2.876 . 0 0 "[ . 1 . 2]" 3
738 1 118 ASN HA 1 120 THR H 3.150 . 4.500 3.853 3.229 4.560 0.060 5 0 "[ . 1 . 2]" 3
739 1 119 ASN HA 1 120 THR H 3.150 . 4.500 2.830 2.104 3.432 . 0 0 "[ . 1 . 2]" 3
740 1 35 ARG H 1 88 GLY H 3.150 . 4.500 3.664 3.396 4.168 . 0 0 "[ . 1 . 2]" 3
741 1 34 PHE HA 1 35 ARG H 2.650 . 2.800 2.222 2.166 2.308 . 0 0 "[ . 1 . 2]" 3
742 1 34 PHE HB3 1 35 ARG H 3.150 . 4.500 2.990 2.699 3.552 . 0 0 "[ . 1 . 2]" 3
743 1 34 PHE HB2 1 35 ARG H 3.150 . 4.500 4.139 3.973 4.467 . 0 0 "[ . 1 . 2]" 3
744 1 35 ARG H 1 87 ARG HB2 3.150 . 4.500 3.908 3.143 4.529 0.029 5 0 "[ . 1 . 2]" 3
745 1 35 ARG H 1 35 ARG HB2 3.150 . 4.500 3.178 2.753 3.537 . 0 0 "[ . 1 . 2]" 3
746 1 144 ASN H 1 145 ALA H 3.150 . 4.500 2.320 1.873 2.924 . 0 0 "[ . 1 . 2]" 3
747 1 145 ALA H 1 145 ALA MB 3.150 . 4.500 2.584 2.229 2.981 . 0 0 "[ . 1 . 2]" 3
748 1 9 LYS H 1 9 LYS HB3 2.650 . 3.500 3.517 3.407 3.581 0.081 8 0 "[ . 1 . 2]" 3
749 1 9 LYS H 1 9 LYS HB2 2.650 . 3.500 2.284 2.209 2.429 . 0 0 "[ . 1 . 2]" 3
750 1 9 LYS H 1 9 LYS HG3 3.150 . 4.500 3.618 2.792 4.217 . 0 0 "[ . 1 . 2]" 3
751 1 9 LYS H 1 9 LYS HG2 3.150 . 4.500 4.268 3.962 4.501 0.001 17 0 "[ . 1 . 2]" 3
752 1 138 ASN HA 1 139 ILE H 3.150 . 4.500 3.609 3.582 3.671 . 0 0 "[ . 1 . 2]" 3
753 1 138 ASN HB3 1 139 ILE H 3.150 . 4.500 3.477 3.132 4.202 . 0 0 "[ . 1 . 2]" 3
754 1 138 ASN HB2 1 139 ILE H 3.150 . 4.500 2.694 2.193 3.818 . 0 0 "[ . 1 . 2]" 3
755 1 139 ILE H 1 139 ILE HB 3.150 . 4.500 3.593 2.722 3.768 . 0 0 "[ . 1 . 2]" 3
756 1 139 ILE H 1 139 ILE HG13 3.150 . 4.500 3.430 3.061 4.503 0.003 16 0 "[ . 1 . 2]" 3
757 1 139 ILE H 1 139 ILE MG 3.150 . 4.500 2.321 1.925 2.533 . 0 0 "[ . 1 . 2]" 3
758 1 139 ILE H 1 139 ILE MD 3.150 . 4.500 3.869 3.588 4.516 0.016 7 0 "[ . 1 . 2]" 3
759 1 33 THR H 1 33 THR HB 2.650 . 3.500 2.534 2.418 2.640 . 0 0 "[ . 1 . 2]" 3
760 1 32 MET HG3 1 33 THR H 3.150 . 4.500 2.963 2.718 4.489 . 0 0 "[ . 1 . 2]" 3
761 1 32 MET HG2 1 33 THR H 2.650 . 3.500 2.886 2.664 3.506 0.006 4 0 "[ . 1 . 2]" 3
762 1 32 MET HB2 1 33 THR H 3.150 . 4.500 4.167 4.080 4.257 . 0 0 "[ . 1 . 2]" 3
763 1 18 ILE H 1 24 LYS H 3.150 . 4.500 3.512 3.133 3.849 . 0 0 "[ . 1 . 2]" 3
764 1 18 ILE H 1 19 ASP H 2.650 . 3.500 2.334 2.030 2.612 . 0 0 "[ . 1 . 2]" 3
765 1 18 ILE H 1 23 VAL HA 2.650 . 3.500 1.899 1.787 2.144 0.013 1 0 "[ . 1 . 2]" 3
766 1 17 ALA HA 1 18 ILE H 2.650 . 3.500 2.186 2.081 2.280 . 0 0 "[ . 1 . 2]" 3
767 1 18 ILE H 1 18 ILE HA 2.650 . 3.500 2.888 2.839 2.931 . 0 0 "[ . 1 . 2]" 3
768 1 18 ILE H 1 23 VAL HB 3.150 . 4.500 3.919 3.647 4.345 . 0 0 "[ . 1 . 2]" 3
769 1 18 ILE H 1 18 ILE HB 2.650 . 3.500 2.487 2.417 2.545 . 0 0 "[ . 1 . 2]" 3
770 1 17 ALA MB 1 18 ILE H 3.150 . 4.500 3.102 2.829 3.373 . 0 0 "[ . 1 . 2]" 3
771 1 18 ILE H 1 18 ILE HG12 3.150 . 4.500 2.695 2.157 3.593 . 0 0 "[ . 1 . 2]" 3
772 1 132 ALA H 1 133 LYS H 2.650 . 3.500 2.642 2.562 2.705 . 0 0 "[ . 1 . 2]" 3
773 1 131 GLN H 1 132 ALA H 2.650 . 2.800 2.646 2.508 2.804 0.004 19 0 "[ . 1 . 2]" 3
774 1 128 SER HA 1 132 ALA H 3.150 . 4.500 4.146 3.922 4.398 . 0 0 "[ . 1 . 2]" 3
775 1 105 ARG HA 1 132 ALA H 3.150 . 4.500 3.802 3.389 4.464 . 0 0 "[ . 1 . 2]" 3
776 1 131 GLN QG 1 132 ALA H 3.150 . 4.500 4.096 3.364 4.407 . 0 0 "[ . 1 . 2]" 3
777 1 131 GLN HB3 1 132 ALA H 2.650 . 3.500 2.442 2.145 3.266 . 0 0 "[ . 1 . 2]" 3
778 1 131 GLN HB2 1 132 ALA H 2.650 . 3.500 3.327 2.408 3.552 0.052 2 0 "[ . 1 . 2]" 3
779 1 132 ALA H 1 132 ALA MB 2.650 . 3.500 2.209 2.176 2.251 . 0 0 "[ . 1 . 2]" 3
780 1 10 GLU H 1 74 VAL H 3.150 . 4.500 2.600 2.379 2.786 . 0 0 "[ . 1 . 2]" 3
781 1 10 GLU H 1 10 GLU HB3 3.150 . 4.500 3.753 3.690 3.902 . 0 0 "[ . 1 . 2]" 3
782 1 10 GLU H 1 10 GLU QG 3.150 . 4.500 2.883 2.649 3.176 . 0 0 "[ . 1 . 2]" 3
783 1 10 GLU H 1 10 GLU HB2 2.650 . 3.500 2.616 2.508 2.821 . 0 0 "[ . 1 . 2]" 3
784 1 9 LYS HB3 1 10 GLU H 3.150 . 4.500 2.943 2.487 3.275 . 0 0 "[ . 1 . 2]" 3
785 1 9 LYS HB2 1 10 GLU H 3.150 . 4.500 4.061 3.763 4.288 . 0 0 "[ . 1 . 2]" 3
786 1 9 LYS HG3 1 10 GLU H 3.150 . 4.500 3.873 3.268 4.609 0.109 11 0 "[ . 1 . 2]" 3
787 1 9 LYS HG2 1 10 GLU H 3.150 . 4.500 4.312 3.379 4.613 0.113 1 0 "[ . 1 . 2]" 3
788 1 111 VAL H 1 129 GLU HB3 3.150 . 4.500 4.481 3.976 4.579 0.079 3 0 "[ . 1 . 2]" 3
789 1 110 LYS QB 1 111 VAL H 3.150 . 4.500 2.666 2.338 3.595 . 0 0 "[ . 1 . 2]" 3
790 1 111 VAL H 1 111 VAL QG 3.150 . 4.500 2.234 2.040 2.435 . 0 0 "[ . 1 . 2]" 3
791 1 73 GLU H 1 73 GLU HA 2.650 . 3.500 2.941 2.918 2.958 . 0 0 "[ . 1 . 2]" 3
792 1 73 GLU H 1 93 TYR HB3 3.150 . 4.500 4.127 3.942 4.336 . 0 0 "[ . 1 . 2]" 3
793 1 73 GLU H 1 93 TYR HB2 3.150 . 4.500 2.922 2.682 3.159 . 0 0 "[ . 1 . 2]" 3
794 1 73 GLU H 1 73 GLU HG3 3.150 . 4.500 2.864 2.534 3.274 . 0 0 "[ . 1 . 2]" 3
795 1 73 GLU H 1 73 GLU HB2 2.650 . 3.500 2.764 2.625 2.932 . 0 0 "[ . 1 . 2]" 3
796 1 72 ILE HG12 1 73 GLU H 3.150 . 4.500 4.413 4.280 4.506 0.006 20 0 "[ . 1 . 2]" 3
797 1 72 ILE MG 1 73 GLU H 3.150 . 4.500 2.692 2.464 2.884 . 0 0 "[ . 1 . 2]" 3
798 1 77 ASP H 1 77 ASP HB3 3.150 . 4.500 2.752 2.614 2.876 . 0 0 "[ . 1 . 2]" 3
799 1 76 PHE HB3 1 77 ASP H 3.150 . 4.500 2.953 2.587 3.265 . 0 0 "[ . 1 . 2]" 3
800 1 76 PHE HB2 1 77 ASP H 3.150 . 4.500 3.995 3.770 4.127 . 0 0 "[ . 1 . 2]" 3
801 1 77 ASP H 1 77 ASP HB2 3.150 . 4.500 2.517 2.300 3.087 . 0 0 "[ . 1 . 2]" 3
802 1 60 ALA H 1 61 PHE H 3.150 . 3.500 2.453 2.245 2.670 . 0 0 "[ . 1 . 2]" 3
803 1 60 ALA H 1 60 ALA HA 2.650 . 3.500 2.852 2.805 2.903 . 0 0 "[ . 1 . 2]" 3
804 1 59 SER QB 1 60 ALA H 3.150 . 4.500 2.551 2.219 3.108 . 0 0 "[ . 1 . 2]" 3
805 1 60 ALA H 1 60 ALA MB 3.150 . 4.500 2.248 2.217 2.291 . 0 0 "[ . 1 . 2]" 3
806 1 91 TYR H 1 91 TYR HB3 3.150 . 4.500 3.595 3.528 3.636 . 0 0 "[ . 1 . 2]" 3
807 1 91 TYR H 1 91 TYR HB2 3.150 . 4.500 2.471 2.267 2.587 . 0 0 "[ . 1 . 2]" 3
808 1 75 GLU HG2 1 91 TYR H 3.650 . 5.500 4.290 4.042 4.548 . 0 0 "[ . 1 . 2]" 3
809 1 75 GLU HB2 1 91 TYR H 3.650 . 5.500 4.458 4.128 4.666 . 0 0 "[ . 1 . 2]" 3
810 1 90 ALA MB 1 91 TYR H 3.150 . 3.500 2.572 2.280 2.753 . 0 0 "[ . 1 . 2]" 3
811 1 104 VAL H 1 105 ARG H 2.650 . 3.500 2.627 2.503 2.765 . 0 0 "[ . 1 . 2]" 3
812 1 105 ARG H 1 106 GLN H 2.650 . 3.500 2.659 2.492 2.767 . 0 0 "[ . 1 . 2]" 3
813 1 105 ARG H 1 105 ARG HA 2.650 . 3.500 2.830 2.783 2.884 . 0 0 "[ . 1 . 2]" 3
814 1 102 ALA HA 1 105 ARG H 2.650 . 3.500 3.492 3.372 3.572 0.072 16 0 "[ . 1 . 2]" 3
815 1 104 VAL HA 1 105 ARG H 3.150 . 4.500 3.543 3.484 3.602 . 0 0 "[ . 1 . 2]" 3
816 1 101 GLU HA 1 105 ARG H 3.150 . 4.500 3.880 3.598 3.960 . 0 0 "[ . 1 . 2]" 3
817 1 13 THR H 1 26 MET H 3.150 . 3.500 2.967 2.761 3.129 . 0 0 "[ . 1 . 2]" 3
818 1 25 LEU HA 1 26 MET H 2.650 . 3.500 2.414 2.363 2.495 . 0 0 "[ . 1 . 2]" 3
819 1 26 MET H 1 26 MET HG3 3.150 . 4.500 4.496 4.420 4.516 0.016 17 0 "[ . 1 . 2]" 3
820 1 26 MET H 1 26 MET HB3 2.650 . 3.500 2.482 2.354 2.600 . 0 0 "[ . 1 . 2]" 3
821 1 15 ILE HG12 1 26 MET H 3.150 . 4.500 3.867 3.644 4.065 . 0 0 "[ . 1 . 2]" 3
822 1 25 LEU MD1 1 26 MET H 3.150 . 4.500 3.219 3.087 3.395 . 0 0 "[ . 1 . 2]" 3
823 1 126 ARG H 1 127 LYS H 2.650 . 3.500 2.737 2.561 2.843 . 0 0 "[ . 1 . 2]" 3
824 1 127 LYS H 1 128 SER H 2.650 . 3.500 2.526 2.453 2.619 . 0 0 "[ . 1 . 2]" 3
825 1 127 LYS H 1 127 LYS HA 2.650 . 3.500 2.841 2.808 2.860 . 0 0 "[ . 1 . 2]" 3
826 1 123 GLN HA 1 127 LYS H 3.150 . 4.500 4.078 3.748 4.467 . 0 0 "[ . 1 . 2]" 3
827 1 126 ARG HB2 1 127 LYS H 2.650 . 3.500 2.957 2.493 3.567 0.067 16 0 "[ . 1 . 2]" 3
828 1 127 LYS H 1 127 LYS HD2 3.150 . 4.500 4.058 3.375 4.558 0.058 16 0 "[ . 1 . 2]" 3
829 1 127 LYS H 1 127 LYS HG3 3.150 . 4.500 3.276 2.100 4.509 0.009 3 0 "[ . 1 . 2]" 3
830 1 127 LYS H 1 127 LYS HG2 3.150 . 4.500 3.516 2.128 4.494 . 0 0 "[ . 1 . 2]" 3
831 1 5 LYS HA 1 6 LYS H 2.650 . 3.500 2.803 2.013 3.525 0.025 7 0 "[ . 1 . 2]" 3
832 1 7 LEU H 1 7 LEU HA 2.650 . 3.500 2.602 2.141 2.923 . 0 0 "[ . 1 . 2]" 3
833 1 6 LYS QG 1 7 LEU H 3.150 . 4.500 3.615 1.781 4.304 0.019 7 0 "[ . 1 . 2]" 3
834 1 7 LEU H 1 7 LEU MD1 3.150 . 4.500 3.560 2.077 4.539 0.039 11 0 "[ . 1 . 2]" 3
835 1 7 LEU H 1 7 LEU MD2 3.150 . 4.500 3.097 1.754 4.590 0.090 16 0 "[ . 1 . 2]" 3
836 1 100 ASN H 1 102 ALA H 3.150 . 4.500 4.221 4.028 4.323 . 0 0 "[ . 1 . 2]" 3
837 1 133 LYS H 1 134 LYS H 2.650 . 3.500 2.731 2.683 2.844 . 0 0 "[ . 1 . 2]" 3
838 1 102 ALA H 1 103 LEU H 2.650 . 3.500 2.760 2.594 2.935 . 0 0 "[ . 1 . 2]" 3
839 1 134 LYS H 1 135 GLU H 3.150 . 4.500 2.589 2.413 2.717 . 0 0 "[ . 1 . 2]" 3
840 1 101 GLU H 1 102 ALA H 2.650 . 3.500 2.546 2.364 2.739 . 0 0 "[ . 1 . 2]" 3
841 1 102 ALA H 1 102 ALA HA 2.650 . 3.500 2.782 2.744 2.820 . 0 0 "[ . 1 . 2]" 3
842 1 99 VAL HA 1 102 ALA H 2.650 . 3.500 3.461 3.258 3.535 0.035 9 0 "[ . 1 . 2]" 3
843 1 101 GLU HA 1 102 ALA H 3.150 . 4.500 3.521 3.448 3.551 . 0 0 "[ . 1 . 2]" 3
844 1 101 GLU HB3 1 102 ALA H 2.650 . 3.500 2.456 2.196 2.720 . 0 0 "[ . 1 . 2]" 3
845 1 102 ALA H 1 102 ALA MB 2.650 . 3.500 2.234 2.208 2.265 . 0 0 "[ . 1 . 2]" 3
846 1 133 LYS HB3 1 134 LYS H 2.650 . 3.500 3.391 3.247 3.531 0.031 3 0 "[ . 1 . 2]" 3
847 1 91 TYR HA 1 92 ILE H 2.650 . 3.500 2.146 2.035 2.219 . 0 0 "[ . 1 . 2]" 3
848 1 91 TYR HB2 1 92 ILE H 3.150 . 4.500 4.182 4.016 4.299 . 0 0 "[ . 1 . 2]" 3
849 1 92 ILE H 1 92 ILE MG 3.150 . 4.500 3.798 3.773 3.832 . 0 0 "[ . 1 . 2]" 3
850 1 123 GLN H 1 124 LEU H 2.650 . 3.500 2.556 2.386 2.734 . 0 0 "[ . 1 . 2]" 3
851 1 121 HIS HA 1 124 LEU H 3.150 . 4.500 3.234 2.829 3.500 . 0 0 "[ . 1 . 2]" 3
852 1 123 GLN HA 1 124 LEU H 2.650 . 3.500 3.441 3.356 3.504 0.004 1 0 "[ . 1 . 2]" 3
853 1 121 HIS HB3 1 124 LEU H 3.150 . 4.500 4.123 3.886 4.389 . 0 0 "[ . 1 . 2]" 3
854 1 124 LEU H 1 124 LEU MD1 3.150 . 4.500 4.122 4.025 4.216 . 0 0 "[ . 1 . 2]" 3
855 1 124 LEU H 1 124 LEU MD2 3.150 . 4.500 4.141 4.033 4.257 . 0 0 "[ . 1 . 2]" 3
856 1 61 PHE H 1 62 THR H 2.650 . 3.500 2.718 2.588 2.813 . 0 0 "[ . 1 . 2]" 3
857 1 61 PHE H 1 63 LYS H 3.150 . 4.500 4.008 3.865 4.180 . 0 0 "[ . 1 . 2]" 3
858 1 61 PHE H 1 61 PHE QD 3.150 . 4.500 4.142 4.071 4.190 . 0 0 "[ . 1 . 2]" 3
859 1 58 ALA HA 1 61 PHE H 3.150 . 4.500 3.517 3.295 3.777 . 0 0 "[ . 1 . 2]" 3
860 1 61 PHE H 1 61 PHE HB3 2.650 . 3.500 2.559 2.425 2.656 . 0 0 "[ . 1 . 2]" 3
861 1 61 PHE H 1 61 PHE HB2 2.650 . 3.500 2.406 2.263 2.529 . 0 0 "[ . 1 . 2]" 3
862 1 60 ALA MB 1 61 PHE H 3.150 . 4.500 2.664 2.545 2.790 . 0 0 "[ . 1 . 2]" 3
863 1 39 VAL HA 1 40 ASP H 2.650 . 3.500 2.218 2.113 2.407 . 0 0 "[ . 1 . 2]" 3
864 1 40 ASP H 1 40 ASP HB3 3.150 . 4.500 2.712 2.381 2.975 . 0 0 "[ . 1 . 2]" 3
865 1 40 ASP H 1 40 ASP HB2 3.150 . 4.500 3.175 2.733 3.400 . 0 0 "[ . 1 . 2]" 3
866 1 39 VAL HB 1 40 ASP H 2.650 . 3.500 2.610 2.191 2.979 . 0 0 "[ . 1 . 2]" 3
867 1 39 VAL MG1 1 40 ASP H 3.150 . 4.500 3.690 3.486 3.894 . 0 0 "[ . 1 . 2]" 3
868 1 71 LYS H 1 71 LYS HA 2.650 . 3.500 2.918 2.895 2.940 . 0 0 "[ . 1 . 2]" 3
869 1 70 LYS HA 1 71 LYS H 2.650 . 3.500 3.495 3.423 3.531 0.031 8 0 "[ . 1 . 2]" 3
870 1 70 LYS HB3 1 71 LYS H 2.650 . 3.500 3.466 3.047 3.557 0.057 14 0 "[ . 1 . 2]" 3
871 1 69 ALA MB 1 71 LYS H 3.150 . 4.500 3.170 2.752 3.456 . 0 0 "[ . 1 . 2]" 3
872 1 71 LYS H 1 71 LYS HG2 3.150 . 4.500 2.524 2.133 3.190 . 0 0 "[ . 1 . 2]" 3
873 1 86 GLY H 1 87 ARG H 2.650 . 3.500 2.382 2.050 2.646 . 0 0 "[ . 1 . 2]" 3
874 1 87 ARG H 1 87 ARG HA 2.650 . 3.500 2.906 2.815 2.959 . 0 0 "[ . 1 . 2]" 3
875 1 86 GLY HA3 1 87 ARG H 3.150 . 4.500 3.387 3.147 3.517 . 0 0 "[ . 1 . 2]" 3
876 1 85 TYR HB2 1 87 ARG H 3.150 . 4.500 3.631 2.861 4.547 0.047 14 0 "[ . 1 . 2]" 3
877 1 87 ARG H 1 87 ARG HB3 3.150 . 4.500 3.640 3.380 3.733 . 0 0 "[ . 1 . 2]" 3
878 1 82 THR H 1 83 ASP H 3.150 . 4.500 4.303 4.226 4.372 . 0 0 "[ . 1 . 2]" 3
879 1 82 THR HA 1 83 ASP H 2.650 . 3.500 2.186 2.062 2.301 . 0 0 "[ . 1 . 2]" 3
880 1 83 ASP H 1 83 ASP HA 2.650 . 3.500 2.856 2.821 2.932 . 0 0 "[ . 1 . 2]" 3
881 1 83 ASP H 1 86 GLY HA2 3.150 . 4.500 4.360 4.097 4.519 0.019 17 0 "[ . 1 . 2]" 3
882 1 83 ASP H 1 89 LEU HG 3.150 . 4.500 2.531 2.323 2.860 . 0 0 "[ . 1 . 2]" 3
883 1 142 GLU H 1 143 ASP H 3.150 . 4.500 3.390 2.151 4.512 0.012 7 0 "[ . 1 . 2]" 3
884 1 143 ASP H 1 143 ASP HA 2.650 . 3.500 2.819 2.220 2.959 . 0 0 "[ . 1 . 2]" 3
885 1 142 GLU HA 1 143 ASP H 2.650 . 3.500 2.700 2.095 3.531 0.031 13 0 "[ . 1 . 2]" 3
886 1 143 ASP H 1 143 ASP HB3 2.650 . 3.500 2.777 2.293 3.542 0.042 5 0 "[ . 1 . 2]" 3
887 1 143 ASP H 1 143 ASP HB2 2.650 . 3.500 2.934 2.388 3.607 0.107 13 0 "[ . 1 . 2]" 3
888 1 142 GLU HB3 1 143 ASP H 3.150 . 4.500 3.732 2.923 4.397 . 0 0 "[ . 1 . 2]" 3
889 1 142 GLU HB2 1 143 ASP H 3.150 . 4.500 3.731 1.968 4.486 . 0 0 "[ . 1 . 2]" 3
890 1 66 VAL H 1 67 GLU H 2.650 . 3.500 2.580 2.491 2.708 . 0 0 "[ . 1 . 2]" 3
891 1 67 GLU H 1 68 ASN H 2.650 . 3.500 2.490 2.386 2.544 . 0 0 "[ . 1 . 2]" 3
892 1 67 GLU H 1 69 ALA H 3.150 . 4.500 3.783 3.584 3.934 . 0 0 "[ . 1 . 2]" 3
893 1 66 VAL HA 1 67 GLU H 3.150 . 4.500 3.515 3.458 3.563 . 0 0 "[ . 1 . 2]" 3
894 1 63 LYS HA 1 67 GLU H 3.150 . 4.500 4.079 3.773 4.288 . 0 0 "[ . 1 . 2]" 3
895 1 67 GLU H 1 67 GLU HG3 2.650 . 3.500 2.419 2.305 2.515 . 0 0 "[ . 1 . 2]" 3
896 1 67 GLU H 1 67 GLU HB3 3.150 . 4.500 3.641 3.610 3.673 . 0 0 "[ . 1 . 2]" 3
897 1 67 GLU H 1 67 GLU HB2 2.650 . 3.500 2.507 2.423 2.555 . 0 0 "[ . 1 . 2]" 3
898 1 66 VAL MG1 1 67 GLU H 3.150 . 4.500 4.146 4.074 4.221 . 0 0 "[ . 1 . 2]" 3
899 1 66 VAL MG2 1 67 GLU H 3.150 . 4.500 2.429 2.261 2.624 . 0 0 "[ . 1 . 2]" 3
900 1 142 GLU H 1 142 GLU HA 2.650 . 3.500 2.833 2.684 2.892 . 0 0 "[ . 1 . 2]" 3
901 1 142 GLU H 1 142 GLU HB3 2.650 . 3.500 3.518 2.967 3.606 0.106 16 0 "[ . 1 . 2]" 3
902 1 142 GLU H 1 142 GLU HB2 2.650 . 3.500 2.479 2.266 3.564 0.064 11 0 "[ . 1 . 2]" 3
903 1 96 GLY H 1 97 LYS H 2.650 . 3.500 2.593 2.338 2.867 . 0 0 "[ . 1 . 2]" 3
904 1 93 TYR HA 1 97 LYS H 3.150 . 4.500 4.274 3.926 4.523 0.023 4 0 "[ . 1 . 2]" 3
905 1 94 ALA HA 1 97 LYS H 3.150 . 4.500 4.497 4.407 4.575 0.075 19 0 "[ . 1 . 2]" 3
906 1 97 LYS H 1 97 LYS HA 2.650 . 3.500 2.905 2.866 2.956 . 0 0 "[ . 1 . 2]" 3
907 1 95 ASP HA 1 97 LYS H 3.150 . 4.500 4.354 4.132 4.493 . 0 0 "[ . 1 . 2]" 3
908 1 96 GLY HA3 1 97 LYS H 2.650 . 3.500 3.226 3.131 3.309 . 0 0 "[ . 1 . 2]" 3
909 1 96 GLY HA2 1 97 LYS H 2.650 . 3.500 3.388 3.266 3.471 . 0 0 "[ . 1 . 2]" 3
910 1 97 LYS H 1 97 LYS HB3 3.150 . 4.500 3.630 3.434 3.814 . 0 0 "[ . 1 . 2]" 3
911 1 68 ASN HA 1 69 ALA H 2.650 . 3.500 3.316 3.240 3.390 . 0 0 "[ . 1 . 2]" 3
912 1 69 ALA H 1 69 ALA HA 2.300 . 2.800 2.810 2.764 2.858 0.058 17 0 "[ . 1 . 2]" 3
913 1 66 VAL HA 1 69 ALA H 3.150 . 4.500 3.207 3.019 3.419 . 0 0 "[ . 1 . 2]" 3
914 1 67 GLU HA 1 69 ALA H 3.150 . 4.500 3.832 3.666 4.020 . 0 0 "[ . 1 . 2]" 3
915 1 65 MET HA 1 69 ALA H 3.150 . 4.500 4.515 4.254 4.570 0.070 7 0 "[ . 1 . 2]" 3
916 1 69 ALA H 1 69 ALA MB 2.650 . 3.500 2.198 2.144 2.240 . 0 0 "[ . 1 . 2]" 3
917 1 81 ARG H 1 82 THR H 2.650 . 3.500 2.170 1.800 2.433 . 13 0 "[ . 1 . 2]" 3
918 1 80 GLN HG3 1 81 ARG H 3.150 . 4.500 4.401 3.020 4.636 0.136 14 0 "[ . 1 . 2]" 3
919 1 80 GLN HB3 1 81 ARG H 3.150 . 4.500 3.067 1.830 3.969 . 0 0 "[ . 1 . 2]" 3
920 1 80 GLN HB2 1 81 ARG H 3.150 . 4.500 3.220 2.377 3.999 . 0 0 "[ . 1 . 2]" 3
921 1 81 ARG H 1 81 ARG HB2 2.650 . 3.500 2.843 2.275 3.223 . 0 0 "[ . 1 . 2]" 3
922 1 81 ARG H 1 81 ARG HG2 3.150 . 4.500 4.414 4.295 4.532 0.032 9 0 "[ . 1 . 2]" 3
923 1 18 ILE HA 1 19 ASP H 3.150 . 4.500 3.529 3.489 3.576 . 0 0 "[ . 1 . 2]" 3
924 1 62 THR H 1 63 LYS H 3.150 . 3.500 2.725 2.619 2.818 . 0 0 "[ . 1 . 2]" 3
925 1 59 SER HA 1 62 THR H 3.150 . 4.500 3.953 3.709 4.469 . 0 0 "[ . 1 . 2]" 3
926 1 62 THR H 1 62 THR HA 2.650 . 3.500 2.766 2.738 2.815 . 0 0 "[ . 1 . 2]" 3
927 1 61 PHE HB3 1 62 THR H 2.650 . 3.500 2.359 2.187 2.548 . 0 0 "[ . 1 . 2]" 3
928 1 61 PHE HB2 1 62 THR H 3.150 . 4.500 3.694 3.486 3.832 . 0 0 "[ . 1 . 2]" 3
929 1 62 THR H 1 62 THR MG 3.150 . 4.500 3.713 3.688 3.760 . 0 0 "[ . 1 . 2]" 3
930 1 122 GLU H 1 123 GLN H 3.150 . 4.500 2.745 2.513 3.118 . 0 0 "[ . 1 . 2]" 3
931 1 121 HIS HA 1 122 GLU H 3.150 . 4.500 3.100 2.967 3.206 . 0 0 "[ . 1 . 2]" 3
932 1 119 ASN HA 1 122 GLU H 3.150 . 4.500 3.306 2.991 3.634 . 0 0 "[ . 1 . 2]" 3
933 1 120 THR HA 1 122 GLU H 3.150 . 4.500 3.962 3.704 4.179 . 0 0 "[ . 1 . 2]" 3
934 1 122 GLU H 1 122 GLU HA 2.650 . 3.500 2.756 2.701 2.789 . 0 0 "[ . 1 . 2]" 3
935 1 122 GLU H 1 122 GLU QG 3.150 . 4.500 3.178 2.236 4.008 . 0 0 "[ . 1 . 2]" 3
936 1 122 GLU H 1 122 GLU HB2 2.650 . 3.500 3.032 2.285 3.596 0.096 16 0 "[ . 1 . 2]" 3
937 1 89 LEU HA 1 90 ALA H 2.650 . 2.800 2.200 2.102 2.315 . 0 0 "[ . 1 . 2]" 3
938 1 89 LEU HB2 1 90 ALA H 3.150 . 4.500 4.400 4.329 4.445 . 0 0 "[ . 1 . 2]" 3
939 1 62 THR HB 1 63 LYS H 3.150 . 4.500 2.329 2.230 2.514 . 0 0 "[ . 1 . 2]" 3
940 1 17 ALA MB 1 63 LYS H 3.150 . 4.500 3.488 3.213 3.743 . 0 0 "[ . 1 . 2]" 3
941 1 63 LYS H 1 63 LYS HG3 3.150 . 4.500 4.401 4.326 4.483 . 0 0 "[ . 1 . 2]" 3
942 1 63 LYS H 1 63 LYS HG2 3.150 . 4.500 4.430 4.397 4.500 . 17 0 "[ . 1 . 2]" 3
943 1 62 THR MG 1 63 LYS H 3.150 . 4.500 3.368 3.147 3.565 . 0 0 "[ . 1 . 2]" 3
944 1 90 ALA H 1 90 ALA MB 3.150 . 4.500 2.642 2.612 2.681 . 0 0 "[ . 1 . 2]" 3
945 1 139 ILE H 1 140 TRP H 2.650 . 3.500 2.523 2.359 2.684 . 0 0 "[ . 1 . 2]" 3
946 1 140 TRP H 1 141 SER H 2.650 . 3.500 2.148 2.015 2.329 . 0 0 "[ . 1 . 2]" 3
947 1 137 LEU H 1 140 TRP H 3.150 . 4.500 4.135 3.978 4.313 . 0 0 "[ . 1 . 2]" 3
948 1 140 TRP H 1 140 TRP HA 2.650 . 3.500 2.925 2.893 2.945 . 0 0 "[ . 1 . 2]" 3
949 1 140 TRP H 1 141 SER QB 3.150 . 4.500 4.104 3.601 4.562 0.062 7 0 "[ . 1 . 2]" 3
950 1 139 ILE HA 1 140 TRP H 2.650 . 3.500 3.309 3.272 3.390 . 0 0 "[ . 1 . 2]" 3
951 1 140 TRP H 1 140 TRP HB2 2.650 . 3.500 2.573 2.495 2.674 . 0 0 "[ . 1 . 2]" 3
952 1 139 ILE HG13 1 140 TRP H 3.150 . 4.500 3.394 2.924 4.643 0.143 7 0 "[ . 1 . 2]" 3
953 1 12 ALA H 1 12 ALA HA 2.650 . 3.500 2.913 2.877 2.937 . 0 0 "[ . 1 . 2]" 3
954 1 11 PRO HB3 1 12 ALA H 3.150 . 4.500 3.838 3.707 3.956 . 0 0 "[ . 1 . 2]" 3
955 1 11 PRO HB2 1 12 ALA H 2.650 . 3.500 3.306 3.103 3.497 . 0 0 "[ . 1 . 2]" 3
956 1 12 ALA H 1 12 ALA MB 3.150 . 4.500 2.572 2.498 2.669 . 0 0 "[ . 1 . 2]" 3
957 1 130 ALA H 1 131 GLN H 2.650 . 2.800 2.668 2.601 2.800 . 0 0 "[ . 1 . 2]" 3
958 1 127 LYS HA 1 130 ALA H 2.650 . 3.500 3.453 3.190 3.557 0.057 16 0 "[ . 1 . 2]" 3
959 1 126 ARG HA 1 130 ALA H 3.150 . 4.500 4.036 3.734 4.521 0.021 16 0 "[ . 1 . 2]" 3
960 1 129 GLU HG3 1 130 ALA H 3.150 . 4.500 4.540 4.514 4.589 0.089 18 0 "[ . 1 . 2]" 3
961 1 129 GLU HB3 1 130 ALA H 2.650 . 3.500 2.395 2.286 2.592 . 0 0 "[ . 1 . 2]" 3
962 1 130 ALA H 1 130 ALA MB 2.650 . 2.800 2.247 2.206 2.272 . 0 0 "[ . 1 . 2]" 3
963 1 29 GLY H 1 30 GLN H 2.650 . 3.500 2.667 2.458 2.798 . 0 0 "[ . 1 . 2]" 3
964 1 30 GLN H 1 30 GLN HA 2.650 . 3.500 2.917 2.892 2.948 . 0 0 "[ . 1 . 2]" 3
965 1 29 GLY HA3 1 30 GLN H 2.650 . 3.500 3.258 3.140 3.378 . 0 0 "[ . 1 . 2]" 3
966 1 29 GLY HA2 1 30 GLN H 2.650 . 3.500 3.387 3.262 3.475 . 0 0 "[ . 1 . 2]" 3
967 1 27 TYR HB3 1 30 GLN H 3.150 . 4.500 4.136 3.850 4.368 . 0 0 "[ . 1 . 2]" 3
968 1 30 GLN H 1 30 GLN QG 2.650 . 3.500 2.281 2.126 2.765 . 0 0 "[ . 1 . 2]" 3
969 1 30 GLN H 1 30 GLN HB3 2.650 . 3.500 3.168 2.907 3.396 . 0 0 "[ . 1 . 2]" 3
970 1 30 GLN H 1 30 GLN HB2 3.150 . 4.500 3.801 3.710 3.874 . 0 0 "[ . 1 . 2]" 3
971 1 28 LYS HB2 1 30 GLN H 3.150 . 4.500 3.818 3.629 4.070 . 0 0 "[ . 1 . 2]" 3
972 1 143 ASP HA 1 144 ASN H 2.650 . 3.500 2.453 2.012 3.520 0.020 1 0 "[ . 1 . 2]" 3
973 1 144 ASN H 1 144 ASN HB3 3.150 . 4.500 3.096 2.416 3.747 . 0 0 "[ . 1 . 2]" 3
974 1 144 ASN H 1 144 ASN HB2 3.150 . 4.500 2.861 2.435 3.831 . 0 0 "[ . 1 . 2]" 3
975 1 145 ALA HA 1 146 ASP H 2.650 . 3.500 2.903 2.125 3.535 0.035 2 0 "[ . 1 . 2]" 3
976 1 146 ASP H 1 146 ASP HB3 3.150 . 4.500 3.043 2.474 4.131 . 0 0 "[ . 1 . 2]" 3
977 1 146 ASP H 1 146 ASP HB2 3.150 . 4.500 3.130 2.380 3.881 . 0 0 "[ . 1 . 2]" 3
978 1 78 LYS H 1 79 GLY H 3.150 . 3.500 2.431 2.251 2.792 . 0 0 "[ . 1 . 2]" 3
979 1 77 ASP HA 1 78 LYS H 2.650 . 3.500 2.790 2.585 2.948 . 0 0 "[ . 1 . 2]" 3
980 1 78 LYS H 1 78 LYS HA 2.650 . 3.500 2.848 2.283 2.953 . 0 0 "[ . 1 . 2]" 3
981 1 77 ASP HB2 1 78 LYS H 3.150 . 4.500 3.659 3.307 3.902 . 0 0 "[ . 1 . 2]" 3
982 1 78 LYS H 1 78 LYS QD 3.150 . 4.500 3.573 1.974 4.363 . 0 0 "[ . 1 . 2]" 3
983 1 7 LEU HA 1 8 HIS H 2.650 . 3.500 2.463 1.992 3.004 . 0 0 "[ . 1 . 2]" 3
984 1 8 HIS H 1 8 HIS HB3 3.150 . 4.500 3.408 2.902 3.629 . 0 0 "[ . 1 . 2]" 3
985 1 8 HIS H 1 8 HIS HB2 3.150 . 4.500 4.003 3.816 4.123 . 0 0 "[ . 1 . 2]" 3
986 1 125 LEU H 1 126 ARG H 2.650 . 3.500 2.624 2.416 2.788 . 0 0 "[ . 1 . 2]" 3
987 1 126 ARG H 1 126 ARG HA 2.650 . 3.500 2.800 2.776 2.833 . 0 0 "[ . 1 . 2]" 3
988 1 138 ASN H 1 138 ASN HB3 3.150 . 4.500 3.315 2.426 3.684 . 0 0 "[ . 1 . 2]" 3
989 1 125 LEU HB2 1 126 ARG H 3.150 . 4.500 2.726 2.594 2.934 . 0 0 "[ . 1 . 2]" 3
990 1 137 LEU HB3 1 138 ASN H 3.150 . 4.500 2.017 1.788 2.285 0.012 5 0 "[ . 1 . 2]" 3
991 1 138 ASN H 1 138 ASN HB2 3.150 . 4.500 3.024 2.626 3.740 . 0 0 "[ . 1 . 2]" 3
992 1 137 LEU HB2 1 138 ASN H 3.150 . 4.500 3.320 3.011 3.666 . 0 0 "[ . 1 . 2]" 3
993 1 125 LEU H 1 125 LEU HB2 2.650 . 3.500 2.460 2.392 2.524 . 0 0 "[ . 1 . 2]" 3
994 1 125 LEU H 1 125 LEU MD1 3.150 . 4.500 3.552 3.428 3.676 . 0 0 "[ . 1 . 2]" 3
995 1 124 LEU MD2 1 125 LEU H 3.150 . 4.500 4.286 3.988 4.481 . 0 0 "[ . 1 . 2]" 3
996 1 131 GLN H 1 133 LYS H 3.150 . 4.500 4.005 3.860 4.174 . 0 0 "[ . 1 . 2]" 3
997 1 128 SER HA 1 131 GLN H 3.150 . 4.500 3.472 3.251 3.762 . 0 0 "[ . 1 . 2]" 3
998 1 127 LYS HA 1 131 GLN H 3.150 . 4.500 4.146 3.878 4.353 . 0 0 "[ . 1 . 2]" 3
999 1 131 GLN H 1 131 GLN HA 2.650 . 3.500 2.809 2.763 2.845 . 0 0 "[ . 1 . 2]" 3
1000 1 130 ALA HA 1 131 GLN H 2.650 . 3.500 3.477 3.445 3.504 0.004 11 0 "[ . 1 . 2]" 3
1001 1 131 GLN H 1 131 GLN QG 3.150 . 4.500 3.681 2.577 3.973 . 0 0 "[ . 1 . 2]" 3
1002 1 131 GLN H 1 131 GLN HB3 2.650 . 3.500 2.812 2.470 3.500 . 0 0 "[ . 1 . 2]" 3
1003 1 131 GLN H 1 131 GLN HB2 2.650 . 3.500 2.216 1.984 2.503 . 0 0 "[ . 1 . 2]" 3
1004 1 130 ALA MB 1 131 GLN H 3.150 . 4.500 2.570 2.352 2.709 . 0 0 "[ . 1 . 2]" 3
1005 1 128 SER H 1 128 SER HA 2.650 . 3.500 2.801 2.757 2.879 . 0 0 "[ . 1 . 2]" 3
1006 1 127 LYS HA 1 128 SER H 2.650 . 3.500 3.451 3.389 3.530 0.030 2 0 "[ . 1 . 2]" 3
1007 1 125 LEU HA 1 128 SER H 2.650 . 3.500 3.362 3.201 3.535 0.035 5 0 "[ . 1 . 2]" 3
1008 1 128 SER H 1 128 SER HB2 2.650 . 3.500 2.388 2.297 2.531 . 0 0 "[ . 1 . 2]" 3
1009 1 127 LYS QB 1 128 SER H 2.650 . 3.500 3.089 2.132 3.586 0.086 13 0 "[ . 1 . 2]" 3
1010 1 127 LYS HG3 1 128 SER H 3.150 . 4.500 3.260 2.142 4.575 0.075 3 0 "[ . 1 . 2]" 3
1011 1 127 LYS HG2 1 128 SER H 3.150 . 4.500 3.583 2.263 4.588 0.088 4 0 "[ . 1 . 2]" 3
1012 1 22 THR HA 1 23 VAL H 2.650 . 2.800 2.168 2.080 2.253 . 0 0 "[ . 1 . 2]" 3
1013 1 23 VAL H 1 33 THR HA 3.150 . 4.500 4.499 4.327 4.528 0.028 16 0 "[ . 1 . 2]" 3
1014 1 22 THR HB 1 23 VAL H 3.150 . 4.500 4.121 3.979 4.212 . 0 0 "[ . 1 . 2]" 3
1015 1 23 VAL H 1 23 VAL HB 3.150 . 4.500 3.882 3.847 3.919 . 0 0 "[ . 1 . 2]" 3
1016 1 23 VAL H 1 23 VAL MG2 3.150 . 4.500 2.335 2.292 2.409 . 0 0 "[ . 1 . 2]" 3
1017 1 73 GLU HA 1 74 VAL H 2.650 . 2.800 2.181 2.145 2.217 . 0 0 "[ . 1 . 2]" 3
1018 1 11 PRO HA 1 74 VAL H 3.150 . 4.500 3.975 3.669 4.108 . 0 0 "[ . 1 . 2]" 3
1019 1 9 LYS HA 1 74 VAL H 3.150 . 4.500 3.948 3.646 4.086 . 0 0 "[ . 1 . 2]" 3
1020 1 73 GLU HB2 1 74 VAL H 3.150 . 4.500 3.874 3.778 3.984 . 0 0 "[ . 1 . 2]" 3
1021 1 74 VAL H 1 74 VAL MG1 3.150 . 4.500 2.754 2.639 2.844 . 0 0 "[ . 1 . 2]" 3
1022 1 123 GLN H 1 123 GLN HA 2.650 . 3.500 2.820 2.781 2.862 . 0 0 "[ . 1 . 2]" 3
1023 1 123 GLN H 1 123 GLN HG3 2.650 . 3.500 2.621 1.821 3.544 0.044 10 0 "[ . 1 . 2]" 3
1024 1 123 GLN H 1 123 GLN HG2 3.150 . 4.500 2.627 1.861 3.420 . 0 0 "[ . 1 . 2]" 3
1025 1 122 GLU HB3 1 123 GLN H 3.150 . 4.500 3.113 2.055 4.100 . 0 0 "[ . 1 . 2]" 3
1026 1 123 GLN H 1 123 GLN QB 2.650 . 3.500 2.548 2.390 2.976 . 0 0 "[ . 1 . 2]" 3
1027 1 122 GLU HB2 1 123 GLN H 3.150 . 4.500 3.761 3.557 3.967 . 0 0 "[ . 1 . 2]" 3
1028 1 118 ASN HA 1 119 ASN H 2.650 . 3.500 2.238 2.116 2.590 . 0 0 "[ . 1 . 2]" 3
1029 1 119 ASN H 1 119 ASN HB2 3.150 . 4.500 3.967 3.176 4.119 . 0 0 "[ . 1 . 2]" 3
1030 1 40 ASP H 1 110 LYS H 3.150 . 4.500 2.861 2.604 3.139 . 0 0 "[ . 1 . 2]" 3
1031 1 109 ALA HA 1 110 LYS H . . 2.800 2.285 2.214 2.448 . 0 0 "[ . 1 . 2]" 3
1032 1 110 LYS H 1 110 LYS QB 3.150 . 4.500 2.504 2.363 2.640 . 0 0 "[ . 1 . 2]" 3
1033 1 110 LYS H 1 110 LYS HG3 3.150 . 4.500 2.980 2.381 4.577 0.077 3 0 "[ . 1 . 2]" 3
1034 1 133 LYS H 1 135 GLU H 3.150 . 4.500 4.086 3.921 4.250 . 0 0 "[ . 1 . 2]" 3
1035 1 130 ALA HA 1 133 LYS H 2.650 . 3.500 3.434 3.247 3.519 0.019 19 0 "[ . 1 . 2]" 3
1036 1 133 LYS H 1 133 LYS HA 2.650 . 3.500 2.790 2.765 2.810 . 0 0 "[ . 1 . 2]" 3
1037 1 132 ALA MB 1 133 LYS H 3.150 . 4.500 2.609 2.521 2.693 . 0 0 "[ . 1 . 2]" 3
1038 1 133 LYS H 1 133 LYS HB3 2.650 . 3.500 3.530 3.515 3.543 0.043 18 0 "[ . 1 . 2]" 3
1039 1 133 LYS H 1 133 LYS HB2 2.650 . 3.500 2.326 2.262 2.444 . 0 0 "[ . 1 . 2]" 3
1040 1 133 LYS H 1 133 LYS HG3 3.150 . 4.500 2.461 2.222 2.549 . 0 0 "[ . 1 . 2]" 3
1041 1 133 LYS H 1 133 LYS HG2 3.150 . 4.500 3.651 3.351 3.781 . 0 0 "[ . 1 . 2]" 3
1042 1 64 LYS H 1 65 MET H 2.650 . 3.500 2.815 2.719 2.932 . 0 0 "[ . 1 . 2]" 3
1043 1 64 LYS H 1 64 LYS HA 2.650 . 3.500 2.780 2.750 2.815 . 0 0 "[ . 1 . 2]" 3
1044 1 63 LYS HA 1 64 LYS H 3.150 . 4.500 3.539 3.503 3.577 . 0 0 "[ . 1 . 2]" 3
1045 1 64 LYS H 1 64 LYS QD 3.150 . 4.500 3.937 2.946 4.538 0.038 3 0 "[ . 1 . 2]" 3
1046 1 63 LYS HG2 1 64 LYS H 2.650 . 3.500 3.497 3.178 3.577 0.077 7 0 "[ . 1 . 2]" 3
1047 1 136 LYS H 1 137 LEU H 3.150 . 3.500 2.797 2.682 2.852 . 0 0 "[ . 1 . 2]" 3
1048 1 137 LEU H 1 137 LEU HA 2.650 . 3.500 2.855 2.822 2.875 . 0 0 "[ . 1 . 2]" 3
1049 1 137 LEU H 1 140 TRP HB3 3.150 . 4.500 3.971 3.787 4.095 . 0 0 "[ . 1 . 2]" 3
1050 1 136 LYS HA 1 137 LEU H 2.650 . 3.500 2.514 2.404 2.629 . 0 0 "[ . 1 . 2]" 3
1051 1 137 LEU H 1 140 TRP HB2 3.150 . 4.500 2.538 2.442 2.640 . 0 0 "[ . 1 . 2]" 3
1052 1 136 LYS HB2 1 137 LEU H 3.150 . 4.500 4.372 4.308 4.431 . 0 0 "[ . 1 . 2]" 3
1053 1 137 LEU H 1 137 LEU HG 3.150 . 4.500 3.008 2.149 4.117 . 0 0 "[ . 1 . 2]" 3
1054 1 137 LEU H 1 137 LEU HB3 3.150 . 4.500 3.591 3.535 3.650 . 0 0 "[ . 1 . 2]" 3
1055 1 136 LYS QG 1 137 LEU H 3.150 . 4.500 4.474 4.312 4.585 0.085 2 0 "[ . 1 . 2]" 3
1056 1 137 LEU H 1 137 LEU HB2 2.650 . 3.500 2.369 2.238 2.480 . 0 0 "[ . 1 . 2]" 3
1057 1 137 LEU H 1 137 LEU MD2 3.150 . 4.500 3.060 2.114 3.866 . 0 0 "[ . 1 . 2]" 3
1058 1 135 GLU H 1 136 LYS H 2.650 . 3.500 2.311 2.177 2.470 . 0 0 "[ . 1 . 2]" 3
1059 1 133 LYS HA 1 136 LYS H 3.150 . 4.500 3.610 3.413 3.886 . 0 0 "[ . 1 . 2]" 3
1060 1 136 LYS H 1 140 TRP HB2 3.150 . 4.500 3.899 3.667 4.110 . 0 0 "[ . 1 . 2]" 3
1061 1 136 LYS H 1 136 LYS HB2 3.150 . 4.500 3.623 3.456 3.790 . 0 0 "[ . 1 . 2]" 3
1062 1 136 LYS H 1 136 LYS QG 2.650 . 3.500 2.798 2.585 3.379 . 0 0 "[ . 1 . 2]" 3
1063 1 65 MET H 1 66 VAL H 2.650 . 3.500 2.630 2.523 2.731 . 0 0 "[ . 1 . 2]" 3
1064 1 65 MET H 1 65 MET HG2 2.650 . 3.500 2.294 2.190 2.428 . 0 0 "[ . 1 . 2]" 3
1065 1 135 GLU H 1 135 GLU HG2 2.650 . 3.500 3.329 2.314 3.549 0.049 2 0 "[ . 1 . 2]" 3
1066 1 134 LYS HG3 1 135 GLU H 3.150 . 4.500 2.861 2.446 3.374 . 0 0 "[ . 1 . 2]" 3
1067 1 65 MET H 1 66 VAL MG1 3.150 . 4.500 4.351 4.203 4.509 0.009 7 0 "[ . 1 . 2]" 3
1068 1 103 LEU H 1 104 VAL H 2.650 . 3.500 2.760 2.658 2.856 . 0 0 "[ . 1 . 2]" 3
1069 1 140 TRP HA 1 141 SER H 3.150 . 4.500 3.258 3.035 3.381 . 0 0 "[ . 1 . 2]" 3
1070 1 141 SER H 1 141 SER HA 2.650 . 3.500 2.842 2.762 2.895 . 0 0 "[ . 1 . 2]" 3
1071 1 141 SER H 1 141 SER QB 2.650 . 3.500 2.466 2.182 2.727 . 0 0 "[ . 1 . 2]" 3
1072 1 139 ILE HA 1 141 SER H 3.150 . 4.500 3.747 3.571 3.995 . 0 0 "[ . 1 . 2]" 3
1073 1 103 LEU H 1 103 LEU HA 2.650 . 3.500 2.793 2.761 2.812 . 0 0 "[ . 1 . 2]" 3
1074 1 140 TRP HB2 1 141 SER H 3.150 . 4.500 3.470 3.119 3.715 . 0 0 "[ . 1 . 2]" 3
1075 1 103 LEU H 1 103 LEU HG 2.650 . 3.500 2.263 2.069 3.593 0.093 9 0 "[ . 1 . 2]" 3
1076 1 104 VAL H 1 104 VAL HA . . 2.800 2.820 2.811 2.837 0.037 8 0 "[ . 1 . 2]" 3
1077 1 101 GLU HA 1 104 VAL H 3.150 . 4.500 3.615 3.268 3.804 . 0 0 "[ . 1 . 2]" 3
1078 1 103 LEU HA 1 104 VAL H 3.150 . 4.500 3.517 3.431 3.548 . 0 0 "[ . 1 . 2]" 3
1079 1 104 VAL H 1 104 VAL HB 2.650 . 2.800 2.579 2.496 2.656 . 0 0 "[ . 1 . 2]" 3
1080 1 103 LEU HB3 1 104 VAL H 3.150 . 4.500 3.468 2.951 3.623 . 0 0 "[ . 1 . 2]" 3
1081 1 103 LEU HG 1 104 VAL H 3.150 . 4.500 4.142 4.033 4.631 0.131 9 0 "[ . 1 . 2]" 3
1082 1 103 LEU MD1 1 104 VAL H 3.150 . 4.500 4.312 3.897 4.503 0.003 6 0 "[ . 1 . 2]" 3
1083 1 103 LEU MD2 1 104 VAL H 3.150 . 4.500 4.484 4.321 4.508 0.008 3 0 "[ . 1 . 2]" 3
1084 1 107 GLY H 1 108 LEU H 3.150 . 4.500 2.643 2.554 2.786 . 0 0 "[ . 1 . 2]" 3
1085 1 106 GLN H 1 108 LEU H 3.150 . 4.500 3.839 3.595 4.025 . 0 0 "[ . 1 . 2]" 3
1086 1 108 LEU H 1 109 ALA H 2.650 . 3.500 1.891 1.796 2.100 0.004 16 0 "[ . 1 . 2]" 3
1087 1 107 GLY HA2 1 108 LEU H 3.150 . 4.500 2.748 2.579 3.005 . 0 0 "[ . 1 . 2]" 3
1088 1 104 VAL HA 1 108 LEU H 3.150 . 4.500 3.290 3.048 3.540 . 0 0 "[ . 1 . 2]" 3
1089 1 106 GLN HB3 1 108 LEU H 3.150 . 4.500 3.766 3.496 3.991 . 0 0 "[ . 1 . 2]" 3
1090 1 103 LEU HB3 1 108 LEU H 3.150 . 4.500 4.205 3.941 4.436 . 0 0 "[ . 1 . 2]" 3
1091 1 16 LYS H 1 25 LEU HA 3.150 . 4.500 3.554 3.355 3.752 . 0 0 "[ . 1 . 2]" 3
1092 1 16 LYS H 1 24 LYS HB3 3.150 . 4.500 2.942 2.782 3.056 . 0 0 "[ . 1 . 2]" 3
1093 1 16 LYS H 1 16 LYS HB3 3.150 . 4.500 3.717 2.753 3.918 . 0 0 "[ . 1 . 2]" 3
1094 1 16 LYS H 1 24 LYS HB2 3.150 . 4.500 4.527 4.406 4.576 0.076 3 0 "[ . 1 . 2]" 3
1095 1 15 ILE MG 1 16 LYS H 3.150 . 4.500 3.118 2.980 3.278 . 0 0 "[ . 1 . 2]" 3
1096 1 68 ASN H 1 68 ASN HA 2.650 . 3.500 2.895 2.878 2.920 . 0 0 "[ . 1 . 2]" 3
1097 1 67 GLU HA 1 68 ASN H 3.150 . 4.500 3.454 3.404 3.496 . 0 0 "[ . 1 . 2]" 3
1098 1 65 MET HA 1 68 ASN H 3.150 . 4.500 3.618 3.352 3.997 . 0 0 "[ . 1 . 2]" 3
1099 1 67 GLU HG3 1 68 ASN H 3.150 . 4.500 4.384 4.236 4.498 . 0 0 "[ . 1 . 2]" 3
1100 1 67 GLU HB3 1 68 ASN H 3.150 . 4.500 3.797 3.639 3.948 . 0 0 "[ . 1 . 2]" 3
1101 1 67 GLU HB2 1 68 ASN H 2.650 . 3.500 2.853 2.635 3.085 . 0 0 "[ . 1 . 2]" 3
1102 1 68 ASN H 1 69 ALA MB 3.150 . 4.500 3.946 3.843 4.041 . 0 0 "[ . 1 . 2]" 3
1103 1 121 HIS H 1 121 HIS HA 2.650 . 3.500 2.941 2.920 2.961 . 0 0 "[ . 1 . 2]" 3
1104 1 120 THR HA 1 121 HIS H 2.650 . 3.500 3.482 3.347 3.534 0.034 12 0 "[ . 1 . 2]" 3
1105 1 120 THR HB 1 121 HIS H 2.650 . 3.500 2.995 2.683 3.343 . 0 0 "[ . 1 . 2]" 3
1106 1 121 HIS H 1 121 HIS HB3 3.150 . 4.500 3.794 3.706 3.861 . 0 0 "[ . 1 . 2]" 3
1107 1 121 HIS H 1 121 HIS HB2 2.650 . 3.500 2.666 2.515 2.752 . 0 0 "[ . 1 . 2]" 3
1108 1 120 THR MG 1 121 HIS H 3.150 . 4.500 3.870 3.517 4.117 . 0 0 "[ . 1 . 2]" 3
1109 1 19 ASP H 1 22 THR H 3.150 . 4.500 3.328 3.045 3.653 . 0 0 "[ . 1 . 2]" 3
1110 1 22 THR H 1 22 THR HB 3.150 . 3.500 2.721 2.526 3.018 . 0 0 "[ . 1 . 2]" 3
1111 1 107 GLY H 1 109 ALA H 3.150 . 4.500 3.915 3.780 4.051 . 0 0 "[ . 1 . 2]" 3
1112 1 104 VAL HA 1 109 ALA H 2.650 . 3.500 2.542 2.431 2.659 . 0 0 "[ . 1 . 2]" 3
1113 1 103 LEU HA 1 109 ALA H 3.150 . 4.500 4.356 4.039 4.526 0.026 19 0 "[ . 1 . 2]" 3
1114 1 103 LEU HB3 1 109 ALA H 3.150 . 4.500 3.670 3.044 3.960 . 0 0 "[ . 1 . 2]" 3
1115 1 108 LEU HB3 1 109 ALA H 3.150 . 4.500 4.097 3.823 4.289 . 0 0 "[ . 1 . 2]" 3
1116 1 108 LEU HB2 1 109 ALA H 3.150 . 4.500 3.307 2.761 3.703 . 0 0 "[ . 1 . 2]" 3
1117 1 109 ALA H 1 109 ALA MB 3.150 . 4.500 2.553 2.425 2.723 . 0 0 "[ . 1 . 2]" 3
1118 1 100 ASN H 1 101 GLU H 3.150 . 4.500 2.804 2.646 2.986 . 0 0 "[ . 1 . 2]" 3
1119 1 100 ASN HA 1 101 GLU H 3.150 . 4.500 3.539 3.482 3.583 . 0 0 "[ . 1 . 2]" 3
1120 1 101 GLU H 1 101 GLU HA 2.650 . 3.500 2.829 2.797 2.863 . 0 0 "[ . 1 . 2]" 3
1121 1 100 ASN HB3 1 101 GLU H 3.150 . 4.500 3.685 2.264 4.376 . 0 0 "[ . 1 . 2]" 3
1122 1 100 ASN HB2 1 101 GLU H 3.150 . 4.500 2.836 2.340 3.905 . 0 0 "[ . 1 . 2]" 3
1123 1 101 GLU H 1 101 GLU HG3 3.150 . 4.500 4.479 4.416 4.544 0.044 9 0 "[ . 1 . 2]" 3
1124 1 101 GLU H 1 101 GLU HB3 2.650 . 3.500 2.547 2.386 2.700 . 0 0 "[ . 1 . 2]" 3
1125 1 98 MET QB 1 101 GLU H 2.650 . 3.500 2.939 2.022 3.379 . 0 0 "[ . 1 . 2]" 3
1126 1 101 GLU H 1 101 GLU HB2 2.650 . 3.500 2.520 2.382 2.643 . 0 0 "[ . 1 . 2]" 3
1127 1 101 GLU H 1 125 LEU MD2 3.150 . 4.500 3.213 2.964 3.636 . 0 0 "[ . 1 . 2]" 3
1128 1 59 SER H 1 59 SER QB 3.150 . 4.500 2.452 2.221 2.639 . 0 0 "[ . 1 . 2]" 3
1129 1 106 GLN H 1 107 GLY H 2.650 . 3.500 2.352 2.104 2.470 . 0 0 "[ . 1 . 2]" 3
1130 1 106 GLN H 1 106 GLN HA 2.650 . 3.500 2.899 2.862 2.926 . 0 0 "[ . 1 . 2]" 3
1131 1 105 ARG HA 1 106 GLN H 3.150 . 4.500 3.473 3.216 3.555 . 0 0 "[ . 1 . 2]" 3
1132 1 102 ALA HA 1 106 GLN H 3.150 . 4.500 3.824 3.441 4.195 . 0 0 "[ . 1 . 2]" 3
1133 1 106 GLN H 1 106 GLN HG3 3.150 . 4.500 4.437 4.405 4.473 . 0 0 "[ . 1 . 2]" 3
1134 1 106 GLN H 1 106 GLN HG2 3.650 . 5.500 4.681 4.548 4.798 . 0 0 "[ . 1 . 2]" 3
1135 1 106 GLN H 1 106 GLN HB2 2.650 . 2.800 2.636 2.358 2.823 0.023 12 0 "[ . 1 . 2]" 3
1136 1 20 GLY HA2 1 21 ASP H 3.150 . 4.500 3.501 3.325 3.585 . 0 0 "[ . 1 . 2]" 3
1137 1 147 SER HB2 1 148 GLY H 3.150 . 4.500 3.844 2.100 4.536 0.036 16 0 "[ . 1 . 2]" 3
1138 1 79 GLY H 1 80 GLN H 3.150 . 4.500 3.528 2.411 4.014 . 0 0 "[ . 1 . 2]" 3
1139 1 79 GLY H 1 79 GLY HA3 2.650 . 3.500 2.435 2.320 2.942 . 0 0 "[ . 1 . 2]" 3
1140 1 78 LYS HA 1 79 GLY H 2.650 . 3.500 3.289 3.038 3.442 . 0 0 "[ . 1 . 2]" 3
1141 1 77 ASP HB3 1 79 GLY H 3.150 . 4.500 2.816 2.480 4.518 0.018 13 0 "[ . 1 . 2]" 3
1142 1 79 GLY H 1 118 ASN HA 3.150 . 4.500 3.436 3.004 4.573 0.073 9 0 "[ . 1 . 2]" 3
1143 1 79 GLY H 1 79 GLY HA2 2.650 . 3.500 2.873 2.409 2.944 . 0 0 "[ . 1 . 2]" 3
1144 1 77 ASP HB2 1 79 GLY H 3.150 . 4.500 4.376 4.159 4.897 0.397 9 0 "[ . 1 . 2]" 3
1145 1 79 GLY H 1 117 PRO HG2 3.150 . 4.500 4.165 3.196 4.526 0.026 20 0 "[ . 1 . 2]" 3
1146 1 99 VAL H 1 100 ASN H 3.150 . 4.500 2.623 2.419 2.808 . 0 0 "[ . 1 . 2]" 3
1147 1 92 ILE H 1 100 ASN H 3.150 . 4.500 3.718 3.440 4.320 . 0 0 "[ . 1 . 2]" 3
1148 1 100 ASN H 1 100 ASN HA 2.650 . 2.800 2.779 2.736 2.812 0.012 17 0 "[ . 1 . 2]" 3
1149 1 100 ASN H 1 100 ASN HB3 3.150 . 4.500 3.384 2.548 3.673 . 0 0 "[ . 1 . 2]" 3
1150 1 100 ASN H 1 100 ASN HB2 3.150 . 4.500 2.827 2.244 3.643 . 0 0 "[ . 1 . 2]" 3
1151 1 98 MET QG 1 100 ASN H 3.150 . 4.500 3.266 2.325 4.536 0.036 6 0 "[ . 1 . 2]" 3
1152 1 99 VAL HB 1 100 ASN H 2.650 . 3.500 2.433 2.118 2.738 . 0 0 "[ . 1 . 2]" 3
1153 1 34 PHE HA 1 88 GLY H 3.150 . 4.500 2.145 1.944 2.498 . 0 0 "[ . 1 . 2]" 3
1154 1 88 GLY H 1 88 GLY HA2 2.650 . 3.500 2.859 2.821 2.922 . 0 0 "[ . 1 . 2]" 3
1155 1 32 MET HG2 1 88 GLY H 3.150 . 4.500 3.302 2.734 4.590 0.090 4 0 "[ . 1 . 2]" 3
1156 1 87 ARG HB2 1 88 GLY H 3.150 . 4.500 4.031 3.594 4.420 . 0 0 "[ . 1 . 2]" 3
1157 1 13 THR H 1 13 THR HA 2.650 . 3.500 2.918 2.887 2.946 . 0 0 "[ . 1 . 2]" 3
1158 1 13 THR H 1 13 THR HB 2.650 . 3.500 2.812 2.689 2.894 . 0 0 "[ . 1 . 2]" 3
1159 1 13 THR H 1 26 MET HB3 3.150 . 4.500 3.017 2.737 3.376 . 0 0 "[ . 1 . 2]" 3
1160 1 12 ALA MB 1 13 THR H 2.650 . 3.500 2.304 2.200 2.539 . 0 0 "[ . 1 . 2]" 3
1161 1 85 TYR HA 1 86 GLY H 3.150 . 4.500 3.221 3.035 3.444 . 0 0 "[ . 1 . 2]" 3
1162 1 86 GLY H 1 86 GLY HA3 2.650 . 3.500 2.899 2.854 2.959 . 0 0 "[ . 1 . 2]" 3
1163 1 86 GLY H 1 86 GLY HA2 2.650 . 3.500 2.330 2.282 2.477 . 0 0 "[ . 1 . 2]" 3
1164 1 85 TYR HB3 1 86 GLY H 3.150 . 4.500 4.208 3.392 4.478 . 0 0 "[ . 1 . 2]" 3
1165 1 85 TYR HB2 1 86 GLY H 3.150 . 4.500 3.701 3.150 4.107 . 0 0 "[ . 1 . 2]" 3
1166 1 66 VAL H 1 66 VAL HA 2.650 . 3.500 2.863 2.834 2.887 . 0 0 "[ . 1 . 2]" 3
1167 1 65 MET HA 1 66 VAL H 2.650 . 3.500 3.478 3.409 3.508 0.008 5 0 "[ . 1 . 2]" 3
1168 1 65 MET HG3 1 66 VAL H 3.150 . 4.500 3.027 2.480 4.632 0.132 11 0 "[ . 1 . 2]" 3
1169 1 65 MET HG2 1 66 VAL H 3.150 . 4.500 3.155 2.665 4.195 . 0 0 "[ . 1 . 2]" 3
1170 1 65 MET QB 1 66 VAL H 2.650 . 3.500 3.299 2.252 3.586 0.086 3 0 "[ . 1 . 2]" 3
1171 1 66 VAL H 1 66 VAL MG1 2.650 . 3.500 2.455 2.365 2.542 . 0 0 "[ . 1 . 2]" 3
1172 1 66 VAL H 1 66 VAL MG2 3.150 . 4.500 2.118 2.025 2.236 . 0 0 "[ . 1 . 2]" 3
1173 1 106 GLN HA 1 107 GLY H 2.650 . 3.500 3.220 3.143 3.294 . 0 0 "[ . 1 . 2]" 3
1174 1 107 GLY H 1 107 GLY HA3 2.650 . 3.500 2.834 2.801 2.860 . 0 0 "[ . 1 . 2]" 3
1175 1 107 GLY H 1 107 GLY HA2 2.650 . 3.500 2.283 2.254 2.333 . 0 0 "[ . 1 . 2]" 3
1176 1 104 VAL HA 1 107 GLY H 3.150 . 4.500 3.590 3.412 3.755 . 0 0 "[ . 1 . 2]" 3
1177 1 106 GLN HG3 1 107 GLY H 3.150 . 4.500 4.539 4.507 4.575 0.075 18 0 "[ . 1 . 2]" 3
1178 1 107 GLY H 1 132 ALA MB 3.150 . 4.500 2.723 2.511 2.950 . 0 0 "[ . 1 . 2]" 3
1179 1 106 GLN HB3 1 107 GLY H 3.150 . 4.500 3.503 3.363 3.633 . 0 0 "[ . 1 . 2]" 3
1180 1 106 GLN HB2 1 107 GLY H 3.150 . 4.500 4.253 4.101 4.359 . 0 0 "[ . 1 . 2]" 3
1181 1 82 THR H 1 82 THR HA 2.650 . 3.500 2.904 2.881 2.929 . 0 0 "[ . 1 . 2]" 3
1182 1 81 ARG HA 1 82 THR H 3.150 . 4.500 3.464 3.384 3.524 . 0 0 "[ . 1 . 2]" 3
1183 1 80 GLN HA 1 82 THR H 3.150 . 4.500 3.945 3.633 4.485 . 0 0 "[ . 1 . 2]" 3
1184 1 82 THR H 1 82 THR HB 3.150 . 4.500 3.762 3.676 3.833 . 0 0 "[ . 1 . 2]" 3
1185 1 80 GLN HG3 1 82 THR H 3.650 . 5.500 4.688 2.586 5.509 0.009 13 0 "[ . 1 . 2]" 3
1186 1 80 GLN HB3 1 82 THR H 3.150 . 4.500 3.424 2.375 4.535 0.035 2 0 "[ . 1 . 2]" 3
1187 1 80 GLN HB2 1 82 THR H 3.150 . 4.500 3.391 2.630 4.276 . 0 0 "[ . 1 . 2]" 3
1188 1 81 ARG HB2 1 82 THR H 3.150 . 4.500 4.114 3.452 4.282 . 0 0 "[ . 1 . 2]" 3
1189 1 38 LEU HA 1 39 VAL H 3.150 . 4.500 3.393 3.187 3.489 . 0 0 "[ . 1 . 2]" 3
1190 1 39 VAL H 1 39 VAL MG1 3.150 . 4.500 2.878 2.528 3.118 . 0 0 "[ . 1 . 2]" 3
1191 1 39 VAL H 1 39 VAL MG2 3.150 . 3.500 2.266 2.141 2.382 . 0 0 "[ . 1 . 2]" 3
1192 1 19 ASP HA 1 20 GLY H 2.650 . 3.500 2.837 1.993 3.033 . 0 0 "[ . 1 . 2]" 3
1193 1 20 GLY H 1 20 GLY HA2 2.650 . 3.500 2.798 2.270 2.912 . 0 0 "[ . 1 . 2]" 3
1194 1 19 ASP HB3 1 20 GLY H 3.150 . 4.500 2.778 1.781 4.421 0.019 13 0 "[ . 1 . 2]" 3
1195 1 19 ASP HB2 1 20 GLY H 3.150 . 4.500 3.388 1.776 3.946 0.024 8 0 "[ . 1 . 2]" 3
1196 1 94 ALA HA 1 96 GLY H 3.150 . 4.500 3.781 3.479 4.516 0.016 18 0 "[ . 1 . 2]" 3
1197 1 95 ASP HA 1 96 GLY H 2.650 . 3.500 2.781 2.306 3.000 . 0 0 "[ . 1 . 2]" 3
1198 1 96 GLY H 1 96 GLY HA3 2.650 . 3.500 2.919 2.846 2.931 . 0 0 "[ . 1 . 2]" 3
1199 1 96 GLY H 1 96 GLY HA2 2.650 . 3.500 2.365 2.287 2.388 . 0 0 "[ . 1 . 2]" 3
1200 1 95 ASP HB3 1 96 GLY H 3.150 . 4.500 4.145 3.906 4.530 0.030 12 0 "[ . 1 . 2]" 3
1201 1 93 TYR HB3 1 96 GLY H 3.150 . 4.500 2.807 2.529 3.201 . 0 0 "[ . 1 . 2]" 3
1202 1 95 ASP HB2 1 96 GLY H 3.150 . 4.500 4.424 4.306 4.527 0.027 18 0 "[ . 1 . 2]" 3
1203 1 93 TYR HB2 1 96 GLY H 3.150 . 4.500 3.832 3.487 4.447 . 0 0 "[ . 1 . 2]" 3
1204 1 27 TYR HA 1 29 GLY H 3.150 . 4.500 3.929 3.671 4.159 . 0 0 "[ . 1 . 2]" 3
1205 1 26 MET HG3 1 29 GLY H 3.150 . 4.500 3.590 3.052 3.877 . 0 0 "[ . 1 . 2]" 3
1206 1 26 MET HG2 1 29 GLY H 3.150 . 4.500 2.438 2.014 2.959 . 0 0 "[ . 1 . 2]" 3
1207 1 28 LYS HB3 1 29 GLY H 3.150 . 4.500 4.415 4.377 4.444 . 0 0 "[ . 1 . 2]" 3
1208 1 28 LYS HB2 1 29 GLY H 3.150 . 4.500 4.167 4.112 4.212 . 0 0 "[ . 1 . 2]" 3
1209 1 93 TYR HA 1 99 VAL H 3.150 . 3.500 2.613 2.215 2.923 . 0 0 "[ . 1 . 2]" 3
1210 1 98 MET HA 1 99 VAL H 2.650 . 3.500 2.073 2.000 2.206 . 0 0 "[ . 1 . 2]" 3
1211 1 99 VAL H 1 99 VAL HA 2.650 . 3.500 2.807 2.763 2.833 . 0 0 "[ . 1 . 2]" 3
1212 1 98 MET QB 1 99 VAL H 3.150 . 4.500 3.676 3.270 3.970 . 0 0 "[ . 1 . 2]" 3
1213 1 99 VAL H 1 99 VAL HB 2.650 . 3.500 2.574 2.525 2.663 . 0 0 "[ . 1 . 2]" 3
1214 1 99 VAL H 1 99 VAL MG2 3.150 . 3.500 1.966 1.840 2.124 . 0 0 "[ . 1 . 2]" 3
1215 1 107 GLY HA3 1 140 TRP HE1 3.150 . 4.500 3.715 3.262 4.067 . 0 0 "[ . 1 . 2]" 3
1216 1 129 GLU HA 1 140 TRP HE1 3.150 . 4.500 3.783 3.309 4.240 . 0 0 "[ . 1 . 2]" 3
1217 1 129 GLU HG3 1 140 TRP HE1 3.150 . 4.500 3.592 2.904 4.342 . 0 0 "[ . 1 . 2]" 3
1218 1 140 TRP H 1 140 TRP HD1 2.650 . 3.500 3.257 3.068 3.507 0.007 14 0 "[ . 1 . 2]" 3
1219 1 93 TYR H 1 93 TYR QD 3.150 . 4.500 2.483 2.339 2.722 . 0 0 "[ . 1 . 2]" 3
1220 1 138 ASN HB3 1 138 ASN HD21 3.150 . 4.500 3.109 2.269 3.504 . 0 0 "[ . 1 . 2]" 3
1221 1 108 LEU HG 1 138 ASN HD21 3.150 . 4.500 2.929 1.808 3.749 . 0 0 "[ . 1 . 2]" 3
1222 1 108 LEU HG 1 138 ASN HD22 3.150 . 4.500 3.181 1.760 4.088 0.040 18 0 "[ . 1 . 2]" 3
1223 1 68 ASN H 1 68 ASN HD21 3.150 . 4.500 2.962 2.452 3.949 . 0 0 "[ . 1 . 2]" 3
1224 1 144 ASN HB3 1 144 ASN HD21 2.650 . 3.500 3.002 2.208 3.493 . 0 0 "[ . 1 . 2]" 3
1225 1 123 GLN HE21 1 123 GLN HG3 3.150 . 4.500 2.755 2.027 3.530 . 0 0 "[ . 1 . 2]" 3
1226 1 123 GLN HE21 1 123 GLN HG2 2.650 . 3.500 2.760 2.183 3.496 . 0 0 "[ . 1 . 2]" 3
1227 1 106 GLN HA 1 106 GLN HE22 3.150 . 4.500 3.274 3.105 3.983 . 0 0 "[ . 1 . 2]" 3
1228 1 131 GLN HE21 1 131 GLN QG 2.650 . 3.500 2.655 2.182 2.826 . 0 0 "[ . 1 . 2]" 3
1229 1 131 GLN HB2 1 131 GLN HE21 3.150 . 4.500 3.493 2.550 4.095 . 0 0 "[ . 1 . 2]" 3
1230 1 131 GLN HE22 1 131 GLN QG 3.150 . 4.500 3.424 3.273 3.496 . 0 0 "[ . 1 . 2]" 3
1231 1 106 GLN HE21 1 137 LEU HG 3.150 . 4.500 4.225 3.025 4.625 0.125 16 0 "[ . 1 . 2]" 3
1232 1 106 GLN HB2 1 106 GLN HE21 3.150 . 4.500 3.968 3.848 4.422 . 0 0 "[ . 1 . 2]" 3
1233 1 80 GLN HE21 1 80 GLN HG3 2.650 . 3.500 2.821 2.193 3.521 0.021 19 0 "[ . 1 . 2]" 3
1234 1 119 ASN HB3 1 119 ASN HD21 3.150 . 4.500 2.980 2.195 3.451 . 0 0 "[ . 1 . 2]" 3
1235 1 119 ASN HB2 1 119 ASN HD21 2.650 . 3.500 2.498 2.068 3.522 0.022 14 0 "[ . 1 . 2]" 3
1236 1 116 LYS HG3 1 119 ASN HD22 3.150 . 4.500 4.241 2.710 4.561 0.061 19 0 "[ . 1 . 2]" 3
1237 1 91 TYR HA 1 100 ASN HD21 3.150 . 4.500 3.741 2.397 4.531 0.031 9 0 "[ . 1 . 2]" 3
1238 1 91 TYR HA 1 100 ASN HD22 3.150 . 4.500 2.815 1.847 3.433 . 0 0 "[ . 1 . 2]" 3
1239 1 27 TYR QD 1 28 LYS H 3.150 . 4.500 3.669 3.463 3.894 . 0 0 "[ . 1 . 2]" 3
1240 1 94 ALA MB 1 95 ASP H 3.150 . 4.500 3.389 3.349 3.432 . 0 0 "[ . 1 . 2]" 3
1241 1 16 LYS H 1 24 LYS H 3.150 . 4.500 3.298 3.156 3.431 . 0 0 "[ . 1 . 2]" 3
1242 1 17 ALA HA 1 24 LYS H 3.150 . 4.500 3.038 2.737 3.351 . 0 0 "[ . 1 . 2]" 3
1243 1 18 ILE HG12 1 24 LYS H 3.150 . 4.500 3.200 2.366 4.518 0.018 13 0 "[ . 1 . 2]" 3
1244 1 24 LYS HB3 1 25 LEU H 3.150 . 4.500 4.130 4.036 4.184 . 0 0 "[ . 1 . 2]" 3
1245 1 76 PHE H 1 76 PHE QD 3.150 . 4.500 2.613 2.390 2.800 . 0 0 "[ . 1 . 2]" 3
1246 1 72 ILE MG 1 93 TYR H 3.150 . 4.500 3.760 3.567 4.034 . 0 0 "[ . 1 . 2]" 3
1247 1 34 PHE H 1 34 PHE QD 3.150 . 4.500 2.828 2.560 3.094 . 0 0 "[ . 1 . 2]" 3
1248 1 34 PHE H 1 34 PHE HB2 3.150 . 4.500 2.478 2.410 2.556 . 0 0 "[ . 1 . 2]" 3
1249 1 32 MET H 1 32 MET HB2 2.650 . 3.500 3.025 2.603 3.235 . 0 0 "[ . 1 . 2]" 3
1250 1 14 LEU H 1 14 LEU MD2 3.150 . 4.500 4.343 4.240 4.446 . 0 0 "[ . 1 . 2]" 3
1251 1 14 LEU MD1 1 15 ILE H 3.150 . 4.500 2.431 2.081 2.666 . 0 0 "[ . 1 . 2]" 3
1252 1 57 GLU HA 1 58 ALA H 3.150 . 4.500 3.043 2.237 3.579 . 0 0 "[ . 1 . 2]" 3
1253 1 79 GLY HA2 1 80 GLN H 2.650 . 3.500 3.299 3.096 3.500 0.000 9 0 "[ . 1 . 2]" 3
1254 1 91 TYR QE 1 120 THR H 3.150 . 4.500 3.862 3.479 4.542 0.042 13 0 "[ . 1 . 2]" 3
1255 1 91 TYR HE1 1 121 HIS H 3.150 . 4.500 4.005 2.843 4.520 0.020 2 0 "[ . 1 . 2]" 3
1256 1 35 ARG H 1 88 GLY HA3 3.150 . 4.500 4.296 4.020 4.512 0.012 6 0 "[ . 1 . 2]" 3
1257 1 139 ILE H 1 139 ILE HG12 3.150 . 4.500 2.516 1.931 4.491 . 0 0 "[ . 1 . 2]" 3
1258 1 105 ARG H 1 105 ARG QB 2.650 . 3.500 2.369 2.153 3.072 . 0 0 "[ . 1 . 2]" 3
1259 1 25 LEU HB3 1 26 MET H 2.650 . 3.500 3.493 3.391 3.521 0.021 2 0 "[ . 1 . 2]" 3
1260 1 26 MET H 1 26 MET HB2 2.650 . 3.500 2.647 2.522 2.691 . 0 0 "[ . 1 . 2]" 3
1261 1 15 ILE HG13 1 26 MET H 3.150 . 4.500 2.471 2.322 2.593 . 0 0 "[ . 1 . 2]" 3
1262 1 25 LEU HB2 1 26 MET H 2.650 . 3.500 2.214 2.088 2.321 . 0 0 "[ . 1 . 2]" 3
1263 1 127 LYS H 1 128 SER HB2 3.150 . 4.500 4.532 4.509 4.551 0.051 11 0 "[ . 1 . 2]" 3
1264 1 5 LYS QG 1 6 LYS H 3.150 . 4.500 3.615 2.150 4.642 0.142 15 0 "[ . 1 . 2]" 3
1265 1 6 LYS H 1 6 LYS QG 3.150 . 4.500 2.948 1.981 4.269 . 0 0 "[ . 1 . 2]" 3
1266 1 133 LYS HA 1 134 LYS H 3.150 . 4.500 3.557 3.514 3.586 . 0 0 "[ . 1 . 2]" 3
1267 1 91 TYR HB3 1 92 ILE H 3.150 . 4.500 3.441 3.205 3.667 . 0 0 "[ . 1 . 2]" 3
1268 1 134 LYS H 1 134 LYS HG2 2.650 . 3.500 2.579 2.027 3.536 0.036 20 0 "[ . 1 . 2]" 3
1269 1 92 ILE H 1 92 ILE HG13 2.650 . 3.500 2.509 2.214 2.748 . 0 0 "[ . 1 . 2]" 3
1270 1 123 GLN QB 1 124 LEU H 2.650 . 3.500 2.973 2.288 3.549 0.049 15 0 "[ . 1 . 2]" 3
1271 1 40 ASP H 1 112 ALA MB 3.150 . 4.500 3.108 2.589 3.644 . 0 0 "[ . 1 . 2]" 3
1272 1 82 THR HB 1 83 ASP H 2.650 . 3.500 2.718 2.508 2.921 . 0 0 "[ . 1 . 2]" 3
1273 1 83 ASP HB2 1 87 ARG H 3.150 . 4.500 4.074 3.599 4.619 0.119 3 0 "[ . 1 . 2]" 3
1274 1 87 ARG H 1 87 ARG HB2 2.650 . 3.500 2.520 2.221 2.664 . 0 0 "[ . 1 . 2]" 3
1275 1 69 ALA H 1 72 ILE MD 3.150 . 4.500 4.267 3.991 4.526 0.026 18 0 "[ . 1 . 2]" 3
1276 1 17 ALA HA 1 19 ASP H 3.150 . 4.500 4.107 3.774 4.524 0.024 3 0 "[ . 1 . 2]" 3
1277 1 61 PHE QD 1 62 THR H 3.150 . 4.500 3.564 3.158 3.953 . 0 0 "[ . 1 . 2]" 3
1278 1 62 THR H 1 62 THR HB 2.650 . 3.500 2.537 2.430 2.672 . 0 0 "[ . 1 . 2]" 3
1279 1 121 HIS HB2 1 122 GLU H 3.150 . 4.500 4.028 3.874 4.164 . 0 0 "[ . 1 . 2]" 3
1280 1 60 ALA HA 1 63 LYS H 2.650 . 3.500 3.473 3.340 3.532 0.032 7 0 "[ . 1 . 2]" 3
1281 1 59 SER HA 1 63 LYS H 3.150 . 4.500 4.138 3.917 4.510 0.010 1 0 "[ . 1 . 2]" 3
1282 1 139 ILE HB 1 140 TRP H 3.150 . 4.500 4.220 4.076 4.309 . 0 0 "[ . 1 . 2]" 3
1283 1 139 ILE HG12 1 140 TRP H 3.150 . 4.500 3.491 3.117 4.200 . 0 0 "[ . 1 . 2]" 3
1284 1 12 ALA H 1 73 GLU HA 2.650 . 3.500 3.100 2.901 3.246 . 0 0 "[ . 1 . 2]" 3
1285 1 12 ALA H 1 73 GLU HG2 3.150 . 4.500 4.359 3.807 4.552 0.052 4 0 "[ . 1 . 2]" 3
1286 1 12 ALA H 1 72 ILE HB 3.150 . 4.500 3.389 3.130 3.582 . 0 0 "[ . 1 . 2]" 3
1287 1 129 GLU HA 1 130 ALA H 3.150 . 4.500 3.501 3.471 3.539 . 0 0 "[ . 1 . 2]" 3
1288 1 30 GLN H 1 31 PRO QD 3.150 . 4.500 4.306 4.144 4.370 . 0 0 "[ . 1 . 2]" 3
1289 1 77 ASP HB3 1 78 LYS H 3.150 . 4.500 2.724 2.165 3.116 . 0 0 "[ . 1 . 2]" 3
1290 1 123 GLN HA 1 126 ARG H 2.650 . 3.500 3.220 2.904 3.541 0.041 11 0 "[ . 1 . 2]" 3
1291 1 124 LEU HG 1 125 LEU H 3.150 . 4.500 4.308 3.608 4.587 0.087 17 0 "[ . 1 . 2]" 3
1292 1 124 LEU MD1 1 125 LEU H 3.150 . 4.500 3.466 2.955 4.520 0.020 13 0 "[ . 1 . 2]" 3
1293 1 127 LYS HD2 1 128 SER H 3.150 . 4.500 3.625 2.066 4.620 0.120 17 0 "[ . 1 . 2]" 3
1294 1 74 VAL H 1 74 VAL HB 3.150 . 4.500 3.786 3.727 3.821 . 0 0 "[ . 1 . 2]" 3
1295 1 135 GLU HB3 1 136 LYS H 3.150 . 4.500 4.224 3.938 4.408 . 0 0 "[ . 1 . 2]" 3
1296 1 135 GLU HB2 1 136 LYS H 3.150 . 4.500 3.431 3.181 3.718 . 0 0 "[ . 1 . 2]" 3
1297 1 138 ASN HA 1 141 SER H 3.150 . 4.500 4.037 3.481 4.396 . 0 0 "[ . 1 . 2]" 3
1298 1 101 GLU HA 1 103 LEU H 3.150 . 4.500 4.491 4.265 4.585 0.085 6 0 "[ . 1 . 2]" 3
1299 1 108 LEU HA 1 109 ALA H 2.650 . 3.500 3.349 3.189 3.503 0.003 7 0 "[ . 1 . 2]" 3
1300 1 13 THR H 1 25 LEU HB2 3.150 . 4.500 3.008 2.783 3.198 . 0 0 "[ . 1 . 2]" 3
1301 1 80 GLN H 1 118 ASN HD22 3.150 . 4.500 2.940 2.358 4.650 0.150 13 0 "[ . 1 . 2]" 3
1302 1 118 ASN HB2 1 118 ASN HD21 3.150 . 4.500 3.063 2.258 3.442 . 0 0 "[ . 1 . 2]" 3
1303 1 118 ASN HB3 1 118 ASN HD21 3.150 . 4.500 2.301 2.143 3.534 . 0 0 "[ . 1 . 2]" 3
1304 1 80 GLN HB2 1 118 ASN HD22 3.150 . 4.500 3.946 2.704 4.588 0.088 13 0 "[ . 1 . 2]" 3
1305 1 89 LEU HB2 1 118 ASN HD22 3.150 . 4.500 3.242 2.703 4.123 . 0 0 "[ . 1 . 2]" 3
1306 1 138 ASN HB2 1 138 ASN HD21 3.150 . 4.500 2.615 2.105 3.569 . 0 0 "[ . 1 . 2]" 3
1307 1 64 LYS HA 1 68 ASN HD22 3.150 . 4.500 3.876 3.396 4.515 0.015 20 0 "[ . 1 . 2]" 3
1308 1 106 GLN HB3 1 106 GLN HE21 3.150 . 4.500 4.082 3.939 4.513 0.013 18 0 "[ . 1 . 2]" 3
1309 1 40 ASP HA 1 41 THR H 3.150 . 4.500 2.140 2.013 2.301 . 0 0 "[ . 1 . 2]" 3
1310 1 111 VAL HA 1 112 ALA H 2.300 . 2.800 2.182 2.061 2.343 . 0 0 "[ . 1 . 2]" 3
1311 1 26 MET HA 1 27 TYR H 2.300 . 2.800 2.120 2.054 2.171 . 0 0 "[ . 1 . 2]" 3
1312 1 71 LYS HA 1 72 ILE H 2.300 . 2.800 2.131 2.011 2.263 . 0 0 "[ . 1 . 2]" 3
1313 1 28 LYS H 1 28 LYS HA 2.300 . 2.800 2.245 2.215 2.271 . 0 0 "[ . 1 . 2]" 3
1314 1 94 ALA HA 1 95 ASP H 2.300 . 2.800 2.095 2.055 2.126 . 0 0 "[ . 1 . 2]" 3
1315 1 95 ASP H 1 95 ASP HA 2.300 . 2.800 2.225 2.184 2.281 . 0 0 "[ . 1 . 2]" 3
1316 1 74 VAL HA 1 75 GLU H 2.300 . 2.800 2.149 2.097 2.194 . 0 0 "[ . 1 . 2]" 3
1317 1 75 GLU HA 1 76 PHE H 2.300 . 2.800 2.081 2.044 2.128 . 0 0 "[ . 1 . 2]" 3
1318 1 92 ILE HA 1 93 TYR H 2.300 . 2.800 2.052 1.982 2.089 . 0 0 "[ . 1 . 2]" 3
1319 1 33 THR HA 1 34 PHE H 2.300 . 2.800 2.140 2.072 2.210 . 0 0 "[ . 1 . 2]" 3
1320 1 93 TYR HA 1 94 ALA H 2.300 . 2.800 2.113 2.054 2.162 . 0 0 "[ . 1 . 2]" 3
1321 1 70 LYS H 1 71 LYS H 2.300 . 2.800 2.422 2.206 2.620 . 0 0 "[ . 1 . 2]" 3
1322 1 69 ALA HA 1 70 LYS H 2.300 . 2.800 2.163 2.038 2.328 . 0 0 "[ . 1 . 2]" 3
1323 1 13 THR HA 1 14 LEU H 2.300 . 2.800 2.351 2.234 2.464 . 0 0 "[ . 1 . 2]" 3
1324 1 14 LEU H 1 14 LEU HB3 2.300 . 2.800 2.561 2.489 2.635 . 0 0 "[ . 1 . 2]" 3
1325 1 129 GLU H 1 129 GLU HB3 2.300 . 2.800 2.505 2.390 2.611 . 0 0 "[ . 1 . 2]" 3
1326 1 120 THR H 1 120 THR HB 2.300 . 2.800 2.628 2.499 2.710 . 0 0 "[ . 1 . 2]" 3
1327 1 8 HIS HA 1 9 LYS H 2.300 . 2.800 2.194 2.055 2.437 . 0 0 "[ . 1 . 2]" 3
1328 1 32 MET HA 1 33 THR H 2.300 . 2.800 2.187 2.094 2.250 . 0 0 "[ . 1 . 2]" 3
1329 1 9 LYS HA 1 10 GLU H 2.300 . 2.800 2.052 1.983 2.182 . 0 0 "[ . 1 . 2]" 3
1330 1 110 LYS HA 1 111 VAL H 2.300 . 2.800 2.380 2.307 2.468 . 0 0 "[ . 1 . 2]" 3
1331 1 111 VAL H 1 111 VAL HB 2.300 . 2.800 2.544 2.450 2.690 . 0 0 "[ . 1 . 2]" 3
1332 1 72 ILE HA 1 73 GLU H 2.300 . 2.800 2.153 2.111 2.215 . 0 0 "[ . 1 . 2]" 3
1333 1 76 PHE HA 1 77 ASP H 2.300 . 2.800 2.176 1.924 2.258 . 0 0 "[ . 1 . 2]" 3
1334 1 90 ALA HA 1 91 TYR H 2.300 . 2.800 2.196 2.050 2.329 . 0 0 "[ . 1 . 2]" 3
1335 1 104 VAL HB 1 105 ARG H 2.300 . 2.800 2.653 2.450 2.786 . 0 0 "[ . 1 . 2]" 3
1336 1 127 LYS H 1 127 LYS QB 2.300 . 2.800 2.477 2.105 2.757 . 0 0 "[ . 1 . 2]" 3
1337 1 126 ARG HB3 1 127 LYS H 2.650 . 3.500 3.320 2.336 3.607 0.107 9 0 "[ . 1 . 2]" 3
1338 1 6 LYS HA 1 7 LEU H 2.300 . 2.800 2.392 1.975 2.706 . 0 0 "[ . 1 . 2]" 3
1339 1 133 LYS HB2 1 134 LYS H 2.300 . 2.800 2.564 2.311 2.758 . 0 0 "[ . 1 . 2]" 3
1340 1 92 ILE H 1 92 ILE HB 2.300 . 2.800 2.505 2.462 2.579 . 0 0 "[ . 1 . 2]" 3
1341 1 124 LEU H 1 124 LEU HA 2.300 . 2.800 2.804 2.777 2.821 0.021 9 0 "[ . 1 . 2]" 3
1342 1 124 LEU H 1 124 LEU HB2 2.300 . 2.800 2.440 2.304 2.626 . 0 0 "[ . 1 . 2]" 3
1343 1 97 LYS H 1 97 LYS HB2 2.300 . 2.800 2.453 2.157 2.738 . 0 0 "[ . 1 . 2]" 3
1344 1 68 ASN H 1 69 ALA H 2.300 . 2.800 2.363 2.248 2.536 . 0 0 "[ . 1 . 2]" 3
1345 1 80 GLN HA 1 81 ARG H 2.300 . 2.800 2.229 1.978 2.796 . 0 0 "[ . 1 . 2]" 3
1346 1 122 GLU H 1 122 GLU HB3 2.300 . 2.800 2.448 2.170 2.682 . 0 0 "[ . 1 . 2]" 3
1347 1 11 PRO HA 1 12 ALA H 2.300 . 2.800 2.184 2.119 2.232 . 0 0 "[ . 1 . 2]" 3
1348 1 130 ALA H 1 130 ALA HA 2.300 . 2.800 2.798 2.772 2.807 0.007 12 0 "[ . 1 . 2]" 3
1349 1 138 ASN H 1 138 ASN HA 2.300 . 2.800 2.645 2.616 2.690 . 0 0 "[ . 1 . 2]" 3
1350 1 136 LYS H 1 136 LYS HA 2.300 . 2.800 2.233 2.190 2.281 . 0 0 "[ . 1 . 2]" 3
1351 1 135 GLU H 1 135 GLU HB2 2.300 . 2.800 2.522 2.246 2.598 . 0 0 "[ . 1 . 2]" 3
1352 1 103 LEU H 1 103 LEU HB2 2.300 . 2.800 2.578 2.310 2.636 . 0 0 "[ . 1 . 2]" 3
1353 1 106 GLN H 1 106 GLN HB3 2.300 . 2.800 2.549 2.470 2.623 . 0 0 "[ . 1 . 2]" 3
1354 1 12 ALA HA 1 13 THR H 2.300 . 2.800 2.412 2.276 2.509 . 0 0 "[ . 1 . 2]" 3
1355 1 29 GLY H 1 29 GLY HA3 2.650 . 3.500 2.911 2.883 2.919 . 0 0 "[ . 1 . 2]" 3
1356 1 106 GLN HE21 1 106 GLN HG3 2.300 . 2.800 2.230 2.167 2.308 . 0 0 "[ . 1 . 2]" 3
1357 1 14 LEU H 1 14 LEU HB2 2.300 . 2.800 2.620 2.544 2.669 . 0 0 "[ . 1 . 2]" 3
1358 1 6 LYS HB2 1 7 LEU H 2.650 . 3.500 3.156 1.993 3.655 0.155 7 0 "[ . 1 . 2]" 3
1359 1 134 LYS H 1 134 LYS HB3 2.300 . 2.800 2.661 2.543 2.803 0.003 12 0 "[ . 1 . 2]" 3
1360 1 124 LEU H 1 124 LEU HB3 2.300 . 2.800 2.408 2.323 2.539 . 0 0 "[ . 1 . 2]" 3
1361 1 63 LYS H 1 63 LYS HB3 2.300 . 2.800 2.493 2.387 2.631 . 0 0 "[ . 1 . 2]" 3
1362 1 63 LYS H 1 63 LYS HB2 2.300 . 2.800 2.425 2.317 2.545 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 993
_Distance_constraint_stats_list.Viol_count 919
_Distance_constraint_stats_list.Viol_total 585.796
_Distance_constraint_stats_list.Viol_max 0.202
_Distance_constraint_stats_list.Viol_rms 0.0089
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0319
_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 4 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 0.244 0.129 7 0 "[ . 1 . 2]"
1 7 LEU 0.603 0.174 4 0 "[ . 1 . 2]"
1 8 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 1.284 0.136 3 0 "[ . 1 . 2]"
1 10 GLU 0.297 0.055 13 0 "[ . 1 . 2]"
1 11 PRO 0.235 0.051 9 0 "[ . 1 . 2]"
1 12 ALA 0.665 0.051 9 0 "[ . 1 . 2]"
1 13 THR 0.743 0.051 9 0 "[ . 1 . 2]"
1 14 LEU 0.760 0.076 13 0 "[ . 1 . 2]"
1 15 ILE 0.717 0.059 11 0 "[ . 1 . 2]"
1 16 LYS 0.375 0.125 13 0 "[ . 1 . 2]"
1 17 ALA 0.084 0.018 17 0 "[ . 1 . 2]"
1 18 ILE 0.595 0.096 16 0 "[ . 1 . 2]"
1 19 ASP 0.150 0.042 20 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ASP 0.429 0.084 3 0 "[ . 1 . 2]"
1 22 THR 0.437 0.065 20 0 "[ . 1 . 2]"
1 23 VAL 0.034 0.018 17 0 "[ . 1 . 2]"
1 24 LYS 0.414 0.096 16 0 "[ . 1 . 2]"
1 25 LEU 0.512 0.066 19 0 "[ . 1 . 2]"
1 26 MET 0.582 0.059 11 0 "[ . 1 . 2]"
1 27 TYR 0.787 0.048 12 0 "[ . 1 . 2]"
1 28 LYS 0.250 0.048 12 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLN 0.099 0.057 17 0 "[ . 1 . 2]"
1 31 PRO 0.071 0.032 10 0 "[ . 1 . 2]"
1 32 MET 0.023 0.018 4 0 "[ . 1 . 2]"
1 33 THR 0.033 0.012 19 0 "[ . 1 . 2]"
1 34 PHE 0.018 0.018 4 0 "[ . 1 . 2]"
1 35 ARG 0.218 0.065 20 0 "[ . 1 . 2]"
1 38 LEU 1.214 0.138 19 0 "[ . 1 . 2]"
1 39 VAL 0.532 0.084 3 0 "[ . 1 . 2]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 THR 0.510 0.076 20 0 "[ . 1 . 2]"
1 42 PRO 0.294 0.076 20 0 "[ . 1 . 2]"
1 57 GLU 0.168 0.066 19 0 "[ . 1 . 2]"
1 58 ALA 0.577 0.061 1 0 "[ . 1 . 2]"
1 59 SER 0.150 0.042 20 0 "[ . 1 . 2]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PHE 0.778 0.162 2 0 "[ . 1 . 2]"
1 62 THR 0.105 0.026 15 0 "[ . 1 . 2]"
1 63 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LYS 0.915 0.113 11 0 "[ . 1 . 2]"
1 65 MET 0.532 0.041 19 0 "[ . 1 . 2]"
1 66 VAL 0.996 0.113 11 0 "[ . 1 . 2]"
1 67 GLU 0.683 0.076 13 0 "[ . 1 . 2]"
1 68 ASN 0.295 0.049 6 0 "[ . 1 . 2]"
1 69 ALA 0.750 0.076 6 0 "[ . 1 . 2]"
1 70 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LYS 0.425 0.108 1 0 "[ . 1 . 2]"
1 72 ILE 1.092 0.076 6 0 "[ . 1 . 2]"
1 73 GLU 1.037 0.077 4 0 "[ . 1 . 2]"
1 74 VAL 1.894 0.069 5 0 "[ . 1 . 2]"
1 75 GLU 0.147 0.039 13 0 "[ . 1 . 2]"
1 76 PHE 0.613 0.113 16 0 "[ . 1 . 2]"
1 77 ASP 0.760 0.202 9 0 "[ . 1 . 2]"
1 78 LYS 0.184 0.051 20 0 "[ . 1 . 2]"
1 79 GLY 0.577 0.098 9 0 "[ . 1 . 2]"
1 80 GLN 0.167 0.098 9 0 "[ . 1 . 2]"
1 81 ARG 1.816 0.113 16 0 "[ . 1 . 2]"
1 82 THR 0.651 0.079 15 0 "[ . 1 . 2]"
1 83 ASP 0.034 0.034 3 0 "[ . 1 . 2]"
1 86 GLY 0.275 0.079 15 0 "[ . 1 . 2]"
1 87 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLY 0.322 0.054 15 0 "[ . 1 . 2]"
1 89 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ILE 1.261 0.069 5 0 "[ . 1 . 2]"
1 93 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ALA 0.174 0.026 19 0 "[ . 1 . 2]"
1 95 ASP 0.425 0.108 1 0 "[ . 1 . 2]"
1 96 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 LYS 0.043 0.019 1 0 "[ . 1 . 2]"
1 98 MET 0.047 0.047 7 0 "[ . 1 . 2]"
1 99 VAL 0.017 0.010 1 0 "[ . 1 . 2]"
1 100 ASN 0.445 0.064 11 0 "[ . 1 . 2]"
1 101 GLU 2.574 0.093 9 0 "[ . 1 . 2]"
1 102 ALA 0.300 0.112 6 0 "[ . 1 . 2]"
1 103 LEU 0.495 0.069 15 0 "[ . 1 . 2]"
1 104 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ARG 0.133 0.112 6 0 "[ . 1 . 2]"
1 106 GLN 0.006 0.005 6 0 "[ . 1 . 2]"
1 107 GLY 0.176 0.076 20 0 "[ . 1 . 2]"
1 108 LEU 1.261 0.162 2 0 "[ . 1 . 2]"
1 109 ALA 0.264 0.069 19 0 "[ . 1 . 2]"
1 110 LYS 0.770 0.132 6 0 "[ . 1 . 2]"
1 111 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 ALA 0.057 0.041 18 0 "[ . 1 . 2]"
1 114 VAL 0.138 0.041 18 0 "[ . 1 . 2]"
1 115 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 LYS 0.661 0.105 13 0 "[ . 1 . 2]"
1 117 PRO 0.410 0.082 13 0 "[ . 1 . 2]"
1 118 ASN 0.507 0.202 9 0 "[ . 1 . 2]"
1 119 ASN 0.327 0.146 3 0 "[ . 1 . 2]"
1 120 THR 0.006 0.006 9 0 "[ . 1 . 2]"
1 121 HIS 0.200 0.052 16 0 "[ . 1 . 2]"
1 122 GLU 1.201 0.138 19 0 "[ . 1 . 2]"
1 123 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 LEU 0.813 0.083 20 0 "[ . 1 . 2]"
1 125 LEU 0.759 0.066 3 0 "[ . 1 . 2]"
1 126 ARG 1.187 0.069 9 0 "[ . 1 . 2]"
1 127 LYS 0.646 0.087 4 0 "[ . 1 . 2]"
1 128 SER 0.687 0.117 11 0 "[ . 1 . 2]"
1 129 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 ALA 0.173 0.071 5 0 "[ . 1 . 2]"
1 131 GLN 0.401 0.117 11 0 "[ . 1 . 2]"
1 132 ALA 0.371 0.076 20 0 "[ . 1 . 2]"
1 133 LYS 0.460 0.071 5 0 "[ . 1 . 2]"
1 134 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 GLU 0.334 0.109 10 0 "[ . 1 . 2]"
1 136 LYS 0.989 0.101 7 0 "[ . 1 . 2]"
1 137 LEU 0.053 0.038 4 0 "[ . 1 . 2]"
1 138 ASN 0.445 0.094 1 0 "[ . 1 . 2]"
1 139 ILE 0.776 0.170 4 0 "[ . 1 . 2]"
1 140 TRP 0.195 0.037 16 0 "[ . 1 . 2]"
1 141 SER 1.206 0.170 4 0 "[ . 1 . 2]"
1 142 GLU 0.181 0.072 11 0 "[ . 1 . 2]"
1 143 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 148 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 149 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 82 THR HB 1 89 LEU MD1 3.650 . 5.500 5.180 4.941 5.394 . 0 0 "[ . 1 . 2]" 4
2 1 74 VAL HA 1 93 TYR QD 3.650 . 5.500 3.603 3.319 3.880 . 0 0 "[ . 1 . 2]" 4
3 1 34 PHE HA 1 92 ILE MD 3.650 . 5.500 4.725 4.480 5.183 . 0 0 "[ . 1 . 2]" 4
4 1 27 TYR HA 1 74 VAL MG2 3.650 . 5.500 4.624 4.181 5.094 . 0 0 "[ . 1 . 2]" 4
5 1 103 LEU HA 1 104 VAL HA 3.650 . 5.500 4.640 4.528 4.707 . 0 0 "[ . 1 . 2]" 4
6 1 20 GLY HA3 1 103 LEU MD1 3.650 . 5.500 3.829 3.338 4.796 . 0 0 "[ . 1 . 2]" 4
7 1 107 GLY HA3 1 137 LEU MD1 3.650 . 5.500 3.401 2.899 4.045 . 0 0 "[ . 1 . 2]" 4
8 1 76 PHE HZ 1 81 ARG HD2 3.650 . 5.500 4.281 3.499 5.520 0.020 5 0 "[ . 1 . 2]" 4
9 1 61 PHE HB2 1 108 LEU MD2 3.650 . 5.500 2.841 2.113 3.590 . 0 0 "[ . 1 . 2]" 4
10 1 15 ILE MG 1 25 LEU HA 3.650 . 5.500 4.375 4.230 4.615 . 0 0 "[ . 1 . 2]" 4
11 1 92 ILE MG 1 93 TYR QD 3.650 . 5.500 4.483 4.302 4.608 . 0 0 "[ . 1 . 2]" 4
12 1 74 VAL MG2 1 76 PHE QD 3.650 . 5.500 3.446 3.234 3.660 . 0 0 "[ . 1 . 2]" 4
13 1 104 VAL QG 1 110 LYS HA 3.650 . 5.500 3.033 2.543 3.579 . 0 0 "[ . 1 . 2]" 4
14 1 121 HIS HA 1 125 LEU MD1 3.650 . 5.500 5.262 5.011 5.512 0.012 17 0 "[ . 1 . 2]" 4
15 1 40 ASP HA 1 109 ALA MB 3.650 . 5.500 4.676 4.318 5.080 . 0 0 "[ . 1 . 2]" 4
16 1 109 ALA MB 1 139 ILE MD 3.650 . 5.500 4.095 3.745 4.907 . 0 0 "[ . 1 . 2]" 4
17 1 61 PHE QD 1 108 LEU MD1 3.650 . 5.500 2.874 2.398 3.303 . 0 0 "[ . 1 . 2]" 4
18 1 82 THR HB 1 88 GLY HA3 3.650 . 5.500 5.400 5.145 5.544 0.044 14 0 "[ . 1 . 2]" 4
19 1 82 THR HB 1 88 GLY HA2 3.650 . 5.500 3.821 3.594 3.966 . 0 0 "[ . 1 . 2]" 4
20 1 82 THR HB 1 89 LEU HG 3.650 . 5.500 4.672 4.481 4.899 . 0 0 "[ . 1 . 2]" 4
21 1 13 THR HB 1 26 MET HA 4.150 . 6.500 5.226 4.993 5.525 . 0 0 "[ . 1 . 2]" 4
22 1 13 THR HB 1 26 MET HG3 3.650 . 5.500 5.083 4.718 5.390 . 0 0 "[ . 1 . 2]" 4
23 1 13 THR HB 1 26 MET HG2 3.650 . 5.500 4.250 3.788 4.733 . 0 0 "[ . 1 . 2]" 4
24 1 13 THR HB 1 15 ILE HG12 3.650 . 5.500 5.213 4.905 5.439 . 0 0 "[ . 1 . 2]" 4
25 1 13 THR HB 1 15 ILE MD 3.650 . 5.500 5.363 5.057 5.533 0.033 6 0 "[ . 1 . 2]" 4
26 1 22 THR HB 1 35 ARG HA 3.650 . 5.500 5.297 4.787 5.565 0.065 20 0 "[ . 1 . 2]" 4
27 1 18 ILE HA 1 22 THR HB 3.650 . 5.500 5.136 4.737 5.497 . 0 0 "[ . 1 . 2]" 4
28 1 19 ASP HB2 1 22 THR HB 3.650 . 5.500 3.545 2.082 5.479 . 0 0 "[ . 1 . 2]" 4
29 1 7 LEU MD2 1 120 THR HA 3.650 . 5.500 4.762 4.339 5.420 . 0 0 "[ . 1 . 2]" 4
30 1 41 THR HB 1 58 ALA MB 3.650 . 5.500 2.621 2.042 3.719 . 0 0 "[ . 1 . 2]" 4
31 1 17 ALA MB 1 62 THR HB 3.650 . 5.500 3.574 3.228 4.003 . 0 0 "[ . 1 . 2]" 4
32 1 33 THR HB 1 34 PHE HA 3.650 . 5.500 4.671 4.451 4.794 . 0 0 "[ . 1 . 2]" 4
33 1 32 MET HA 1 33 THR HB 3.650 . 5.500 4.687 4.492 4.822 . 0 0 "[ . 1 . 2]" 4
34 1 22 THR MG 1 33 THR HB 3.650 . 5.500 4.345 4.093 4.706 . 0 0 "[ . 1 . 2]" 4
35 1 62 THR HA 1 65 MET HG2 3.650 . 5.500 2.646 2.109 3.686 . 0 0 "[ . 1 . 2]" 4
36 1 62 THR HA 1 65 MET QB 3.150 . 4.500 4.150 2.985 4.526 0.026 15 0 "[ . 1 . 2]" 4
37 1 62 THR HA 1 66 VAL MG2 3.650 . 5.500 4.238 4.019 4.490 . 0 0 "[ . 1 . 2]" 4
38 1 62 THR HA 1 103 LEU MD2 3.650 . 5.500 2.853 2.248 4.283 . 0 0 "[ . 1 . 2]" 4
39 1 7 LEU HG 1 120 THR HB 3.650 . 5.500 4.246 3.346 5.331 . 0 0 "[ . 1 . 2]" 4
40 1 65 MET HG3 1 99 VAL HA 3.650 . 5.500 4.215 3.300 4.715 . 0 0 "[ . 1 . 2]" 4
41 1 94 ALA MB 1 99 VAL HA 3.650 . 5.500 4.099 3.818 4.441 . 0 0 "[ . 1 . 2]" 4
42 1 99 VAL HA 1 103 LEU MD1 3.650 . 5.500 4.807 3.656 5.095 . 0 0 "[ . 1 . 2]" 4
43 1 138 ASN HB3 1 139 ILE HA 3.650 . 5.500 4.608 4.123 5.594 0.094 1 0 "[ . 1 . 2]" 4
44 1 138 ASN HB2 1 139 ILE HA 3.650 . 4.500 4.394 4.249 4.488 . 0 0 "[ . 1 . 2]" 4
45 1 24 LYS HB3 1 33 THR HA 3.650 . 5.500 4.541 4.430 4.629 . 0 0 "[ . 1 . 2]" 4
46 1 24 LYS QG 1 33 THR HA 3.650 . 5.500 2.655 2.485 2.805 . 0 0 "[ . 1 . 2]" 4
47 1 22 THR MG 1 33 THR HA 3.650 . 5.500 4.302 3.994 4.762 . 0 0 "[ . 1 . 2]" 4
48 1 33 THR HA 1 33 THR MG . . 2.800 2.299 2.249 2.384 . 0 0 "[ . 1 . 2]" 4
49 1 139 ILE HA 1 141 SER QB 3.650 . 5.500 4.831 4.351 5.670 0.170 4 0 "[ . 1 . 2]" 4
50 1 14 LEU MD2 1 66 VAL HA 3.650 . 5.500 5.074 4.608 5.516 0.016 11 0 "[ . 1 . 2]" 4
51 1 128 SER HA 1 131 GLN QG 3.650 . 5.500 3.785 2.429 4.828 . 0 0 "[ . 1 . 2]" 4
52 1 128 SER HA 1 132 ALA MB 3.650 . 5.500 4.768 4.486 5.094 . 0 0 "[ . 1 . 2]" 4
53 1 104 VAL QG 1 128 SER HA 3.650 . 5.500 4.102 3.908 4.335 . 0 0 "[ . 1 . 2]" 4
54 1 18 ILE HA 1 23 VAL HA 3.650 . 5.500 4.490 4.299 4.647 . 0 0 "[ . 1 . 2]" 4
55 1 18 ILE HA 1 24 LYS HB2 3.650 . 5.500 5.445 5.173 5.596 0.096 16 0 "[ . 1 . 2]" 4
56 1 101 GLU HG3 1 128 SER HB3 3.150 . 4.500 4.246 3.650 4.593 0.093 9 0 "[ . 1 . 2]" 4
57 1 104 VAL QG 1 128 SER HB2 3.650 . 5.500 2.549 2.389 2.935 . 0 0 "[ . 1 . 2]" 4
58 1 122 GLU HA 1 125 LEU MD1 3.150 . 4.500 2.839 2.354 3.391 . 0 0 "[ . 1 . 2]" 4
59 1 19 ASP HB2 1 59 SER QB 3.650 . 5.500 4.612 2.767 5.522 0.022 12 0 "[ . 1 . 2]" 4
60 1 59 SER QB 1 60 ALA MB 3.650 . 5.500 3.638 3.289 4.064 . 0 0 "[ . 1 . 2]" 4
61 1 22 THR HA 1 35 ARG HA 3.650 . 5.500 2.623 2.274 3.017 . 0 0 "[ . 1 . 2]" 4
62 1 22 THR HA 1 23 VAL HA 3.650 . 5.500 4.403 4.298 4.457 . 0 0 "[ . 1 . 2]" 4
63 1 22 THR HA 1 33 THR MG 3.650 . 5.500 4.064 3.675 4.326 . 0 0 "[ . 1 . 2]" 4
64 1 22 THR HA 1 23 VAL MG2 3.650 . 5.500 3.769 3.642 3.888 . 0 0 "[ . 1 . 2]" 4
65 1 12 ALA HA 1 13 THR HA 3.150 . 4.500 4.523 4.480 4.551 0.051 9 0 "[ . 1 . 2]" 4
66 1 13 THR HA 1 26 MET HB3 3.650 . 5.500 4.805 4.610 5.038 . 0 0 "[ . 1 . 2]" 4
67 1 13 THR HA 1 72 ILE MD 3.650 . 5.500 2.308 1.973 2.929 . 0 0 "[ . 1 . 2]" 4
68 1 13 THR HA 1 72 ILE MG 3.650 . 5.500 3.855 3.463 4.441 . 0 0 "[ . 1 . 2]" 4
69 1 22 THR HB 1 23 VAL HA 3.650 . 5.500 4.539 4.224 4.789 . 0 0 "[ . 1 . 2]" 4
70 1 18 ILE HB 1 23 VAL HA 3.650 . 5.500 3.120 2.746 3.418 . 0 0 "[ . 1 . 2]" 4
71 1 17 ALA MB 1 23 VAL HA 3.650 . 5.500 3.907 3.556 4.244 . 0 0 "[ . 1 . 2]" 4
72 1 23 VAL HA 1 23 VAL MG1 3.150 . 3.500 2.392 2.366 2.417 . 0 0 "[ . 1 . 2]" 4
73 1 74 VAL HA 1 90 ALA MB 3.650 . 4.500 3.097 2.919 3.249 . 0 0 "[ . 1 . 2]" 4
74 1 76 PHE HA 1 90 ALA MB 3.650 . 5.500 2.853 2.588 3.138 . 0 0 "[ . 1 . 2]" 4
75 1 126 ARG HA 1 126 ARG HD2 3.650 . 4.500 4.355 2.036 4.562 0.062 12 0 "[ . 1 . 2]" 4
76 1 104 VAL QG 1 126 ARG HA 3.650 . 5.500 3.940 3.546 4.215 . 0 0 "[ . 1 . 2]" 4
77 1 111 VAL QG 1 126 ARG HA 3.650 . 5.500 2.294 1.960 3.074 . 0 0 "[ . 1 . 2]" 4
78 1 60 ALA HA 1 63 LYS HA 3.650 . 5.500 5.146 4.924 5.296 . 0 0 "[ . 1 . 2]" 4
79 1 63 LYS HA 1 63 LYS QE 3.650 . 5.500 4.884 4.544 5.260 . 0 0 "[ . 1 . 2]" 4
80 1 63 LYS HA 1 63 LYS HD3 3.650 . 5.500 4.593 4.295 4.730 . 0 0 "[ . 1 . 2]" 4
81 1 63 LYS HA 1 66 VAL MG2 3.650 . 5.500 2.298 2.128 2.541 . 0 0 "[ . 1 . 2]" 4
82 1 101 GLU HA 1 104 VAL QG 3.650 . 5.500 3.339 2.889 3.698 . 0 0 "[ . 1 . 2]" 4
83 1 133 LYS HA 1 140 TRP HA 3.650 . 5.500 4.772 4.487 5.085 . 0 0 "[ . 1 . 2]" 4
84 1 130 ALA HA 1 133 LYS HA 3.650 . 5.500 5.288 5.055 5.433 . 0 0 "[ . 1 . 2]" 4
85 1 132 ALA MB 1 133 LYS HA 3.650 . 5.500 3.872 3.825 3.950 . 0 0 "[ . 1 . 2]" 4
86 1 133 LYS HA 1 133 LYS HD3 3.650 . 5.500 4.359 4.204 4.434 . 0 0 "[ . 1 . 2]" 4
87 1 133 LYS HA 1 133 LYS HG3 3.150 . 4.500 2.951 2.787 3.205 . 0 0 "[ . 1 . 2]" 4
88 1 140 TRP HB2 1 141 SER HA 3.650 . 5.500 4.476 4.302 4.637 . 0 0 "[ . 1 . 2]" 4
89 1 136 LYS QG 1 141 SER HA 3.150 . 4.500 3.844 3.182 4.511 0.011 3 0 "[ . 1 . 2]" 4
90 1 57 GLU HA 1 60 ALA MB 3.650 . 5.500 3.815 2.775 5.345 . 0 0 "[ . 1 . 2]" 4
91 1 19 ASP HB3 1 22 THR HB 3.650 . 5.500 3.115 1.919 5.429 . 0 0 "[ . 1 . 2]" 4
92 1 13 THR HB 1 25 LEU HB2 3.650 . 5.500 4.792 4.572 4.932 . 0 0 "[ . 1 . 2]" 4
93 1 13 THR HB 1 72 ILE MD 3.650 . 5.500 4.844 4.586 5.299 . 0 0 "[ . 1 . 2]" 4
94 1 24 LYS HB2 1 33 THR HB 3.650 . 5.500 5.329 5.007 5.512 0.012 19 0 "[ . 1 . 2]" 4
95 1 61 PHE HB3 1 62 THR HA 3.650 . 5.500 4.215 4.002 4.381 . 0 0 "[ . 1 . 2]" 4
96 1 62 THR HA 1 66 VAL MG1 3.650 . 4.500 3.762 3.435 4.243 . 0 0 "[ . 1 . 2]" 4
97 1 99 VAL HA 1 100 ASN HA 3.650 . 5.500 4.863 4.681 4.994 . 0 0 "[ . 1 . 2]" 4
98 1 65 MET HG2 1 99 VAL HA 3.650 . 5.500 5.025 4.713 5.357 . 0 0 "[ . 1 . 2]" 4
99 1 139 ILE HA 1 139 ILE MD 3.650 . 5.500 4.122 3.641 4.214 . 0 0 "[ . 1 . 2]" 4
100 1 104 VAL HA 1 132 ALA MB 3.650 . 5.500 4.262 4.106 4.428 . 0 0 "[ . 1 . 2]" 4
101 1 33 THR HA 1 34 PHE QD 3.650 . 5.500 3.372 3.157 3.594 . 0 0 "[ . 1 . 2]" 4
102 1 140 TRP HB2 1 141 SER QB 3.650 . 5.500 4.931 4.221 5.508 0.008 17 0 "[ . 1 . 2]" 4
103 1 66 VAL HA 1 94 ALA MB 3.650 . 4.500 2.255 2.039 2.514 . 0 0 "[ . 1 . 2]" 4
104 1 101 GLU HG3 1 128 SER HB2 3.650 . 5.500 4.328 3.670 4.811 . 0 0 "[ . 1 . 2]" 4
105 1 124 LEU MD1 1 128 SER HB2 3.650 . 5.500 4.368 3.672 5.545 0.045 13 0 "[ . 1 . 2]" 4
106 1 19 ASP HB3 1 59 SER HA 3.650 . 5.500 5.224 4.448 5.542 0.042 20 0 "[ . 1 . 2]" 4
107 1 19 ASP HB3 1 59 SER QB 3.650 . 5.500 4.735 2.903 5.517 0.017 12 0 "[ . 1 . 2]" 4
108 1 22 THR HA 1 22 THR MG 3.150 . 4.500 2.306 2.190 2.401 . 0 0 "[ . 1 . 2]" 4
109 1 22 THR HA 1 23 VAL MG1 3.650 . 5.500 3.917 3.818 4.035 . 0 0 "[ . 1 . 2]" 4
110 1 13 THR HA 1 25 LEU HB3 3.650 . 5.500 5.470 5.225 5.545 0.045 4 0 "[ . 1 . 2]" 4
111 1 13 THR HA 1 72 ILE HG13 3.150 . 4.500 3.566 3.027 4.256 . 0 0 "[ . 1 . 2]" 4
112 1 22 THR MG 1 23 VAL HA 3.650 . 5.500 3.681 3.395 3.871 . 0 0 "[ . 1 . 2]" 4
113 1 18 ILE HG12 1 23 VAL HA 3.150 . 4.500 2.879 2.147 4.389 . 0 0 "[ . 1 . 2]" 4
114 1 74 VAL HA 1 75 GLU HA 3.650 . 5.500 4.359 4.317 4.406 . 0 0 "[ . 1 . 2]" 4
115 1 9 LYS HA 1 74 VAL HA 3.650 . 5.500 4.794 4.599 4.915 . 0 0 "[ . 1 . 2]" 4
116 1 74 VAL HA 1 92 ILE MG 3.650 . 5.500 3.563 3.386 3.746 . 0 0 "[ . 1 . 2]" 4
117 1 74 VAL HA 1 92 ILE MD 3.650 . 4.500 4.510 4.399 4.542 0.042 18 0 "[ . 1 . 2]" 4
118 1 76 PHE HA 1 76 PHE QD 3.650 . 4.500 2.747 2.589 2.940 . 0 0 "[ . 1 . 2]" 4
119 1 76 PHE HA 1 76 PHE QE 3.650 . 5.500 4.564 4.464 4.674 . 0 0 "[ . 1 . 2]" 4
120 1 126 ARG HA 1 130 ALA MB 3.650 . 5.500 4.834 4.575 5.221 . 0 0 "[ . 1 . 2]" 4
121 1 133 LYS HA 1 140 TRP HD1 3.650 . 4.500 3.851 3.184 4.173 . 0 0 "[ . 1 . 2]" 4
122 1 133 LYS HA 1 136 LYS QG 3.650 . 5.500 4.560 3.919 5.055 . 0 0 "[ . 1 . 2]" 4
123 1 137 LEU H 1 141 SER HA 3.650 . 5.500 5.196 4.383 5.538 0.038 4 0 "[ . 1 . 2]" 4
124 1 61 PHE HA 1 62 THR H 3.650 . 5.500 3.585 3.554 3.617 . 0 0 "[ . 1 . 2]" 4
125 1 61 PHE HA 1 61 PHE QD 3.150 . 4.500 2.701 2.315 3.134 . 0 0 "[ . 1 . 2]" 4
126 1 65 MET HA 1 67 GLU H 3.650 . 5.500 4.369 4.074 4.716 . 0 0 "[ . 1 . 2]" 4
127 1 129 GLU HA 1 131 GLN H 3.650 . 5.500 4.249 4.029 4.515 . 0 0 "[ . 1 . 2]" 4
128 1 104 VAL QG 1 129 GLU HA 3.150 . 4.500 2.184 2.036 2.340 . 0 0 "[ . 1 . 2]" 4
129 1 111 VAL QG 1 129 GLU HA 3.650 . 5.500 4.381 3.737 5.378 . 0 0 "[ . 1 . 2]" 4
130 1 125 LEU HA 1 125 LEU MD1 3.150 . 4.500 3.836 3.770 3.870 . 0 0 "[ . 1 . 2]" 4
131 1 124 LEU HA 1 124 LEU MD2 3.650 . 5.500 2.724 2.172 3.912 . 0 0 "[ . 1 . 2]" 4
132 1 76 PHE HB3 1 81 ARG HA 3.150 . 4.500 3.226 2.028 3.921 . 0 0 "[ . 1 . 2]" 4
133 1 76 PHE HB2 1 81 ARG HA 3.650 . 5.500 4.853 3.491 5.530 0.030 9 0 "[ . 1 . 2]" 4
134 1 81 ARG HA 1 81 ARG HD3 3.150 . 4.500 4.085 1.953 4.510 0.010 16 0 "[ . 1 . 2]" 4
135 1 81 ARG HA 1 89 LEU HB2 3.650 . 5.500 3.498 3.264 3.868 . 0 0 "[ . 1 . 2]" 4
136 1 76 PHE QE 1 81 ARG HA 3.650 . 5.500 4.257 3.792 4.777 . 0 0 "[ . 1 . 2]" 4
137 1 70 LYS HA 1 71 LYS HA 3.650 . 5.500 4.471 4.357 4.546 . 0 0 "[ . 1 . 2]" 4
138 1 69 ALA HA 1 70 LYS HA 3.150 . 4.500 4.348 4.285 4.394 . 0 0 "[ . 1 . 2]" 4
139 1 69 ALA MB 1 70 LYS HA 3.650 . 5.500 4.281 4.063 4.433 . 0 0 "[ . 1 . 2]" 4
140 1 66 VAL HB 1 72 ILE HA 3.650 . 5.500 5.496 5.301 5.560 0.060 19 0 "[ . 1 . 2]" 4
141 1 72 ILE HA 1 73 GLU HG3 3.650 . 5.500 3.707 3.326 4.138 . 0 0 "[ . 1 . 2]" 4
142 1 71 LYS HB2 1 72 ILE HA 3.650 . 5.500 4.545 4.274 4.762 . 0 0 "[ . 1 . 2]" 4
143 1 69 ALA MB 1 72 ILE HA 3.650 . 5.500 3.566 2.945 3.881 . 0 0 "[ . 1 . 2]" 4
144 1 72 ILE HA 1 72 ILE MD 3.650 . 4.500 3.805 3.761 3.851 . 0 0 "[ . 1 . 2]" 4
145 1 72 ILE HA 1 72 ILE MG 3.150 . 4.500 2.401 2.382 2.433 . 0 0 "[ . 1 . 2]" 4
146 1 92 ILE HA 1 93 TYR QD 3.650 . 4.500 3.136 2.972 3.254 . 0 0 "[ . 1 . 2]" 4
147 1 73 GLU HB2 1 92 ILE HA 3.650 . 5.500 4.962 4.711 5.398 . 0 0 "[ . 1 . 2]" 4
148 1 92 ILE HA 1 92 ILE MD 3.650 . 4.500 3.780 3.751 3.821 . 0 0 "[ . 1 . 2]" 4
149 1 82 THR HA 1 89 LEU HA 3.650 . 5.500 4.778 4.633 4.982 . 0 0 "[ . 1 . 2]" 4
150 1 82 THR HA 1 88 GLY HA3 3.150 . 4.500 4.059 3.748 4.281 . 0 0 "[ . 1 . 2]" 4
151 1 82 THR HA 1 83 ASP HB2 3.650 . 5.500 4.623 4.310 5.534 0.034 3 0 "[ . 1 . 2]" 4
152 1 81 ARG HB3 1 82 THR HA 3.650 . 5.500 4.787 4.363 5.000 . 0 0 "[ . 1 . 2]" 4
153 1 82 THR HA 1 89 LEU MD2 3.650 . 5.500 4.047 3.801 4.351 . 0 0 "[ . 1 . 2]" 4
154 1 34 PHE HA 1 34 PHE QD 3.650 . 5.500 3.086 3.020 3.146 . 0 0 "[ . 1 . 2]" 4
155 1 34 PHE HA 1 87 ARG HB3 3.650 . 5.500 3.022 2.529 3.618 . 0 0 "[ . 1 . 2]" 4
156 1 33 THR MG 1 34 PHE HA 3.650 . 5.500 3.965 3.730 4.213 . 0 0 "[ . 1 . 2]" 4
157 1 27 TYR HA 1 27 TYR QE 3.150 . 4.500 4.516 4.497 4.541 0.041 13 0 "[ . 1 . 2]" 4
158 1 93 TYR HA 1 93 TYR QD 3.650 . 4.500 3.175 3.115 3.246 . 0 0 "[ . 1 . 2]" 4
159 1 93 TYR HA 1 97 LYS HA 3.650 . 5.500 4.950 4.760 5.315 . 0 0 "[ . 1 . 2]" 4
160 1 27 TYR HA 1 28 LYS HA 3.650 . 5.500 4.340 4.287 4.408 . 0 0 "[ . 1 . 2]" 4
161 1 26 MET HG3 1 27 TYR HA 3.650 . 5.500 5.411 5.142 5.527 0.027 1 0 "[ . 1 . 2]" 4
162 1 93 TYR HA 1 98 MET QG 3.650 . 5.500 4.295 3.701 5.317 . 0 0 "[ . 1 . 2]" 4
163 1 92 ILE HB 1 93 TYR HA 3.650 . 5.500 5.010 4.893 5.117 . 0 0 "[ . 1 . 2]" 4
164 1 93 TYR HA 1 99 VAL MG2 3.650 . 5.500 2.833 2.473 3.206 . 0 0 "[ . 1 . 2]" 4
165 1 92 ILE MG 1 93 TYR HA 3.650 . 5.500 3.774 3.636 3.887 . 0 0 "[ . 1 . 2]" 4
166 1 9 LYS HA 1 75 GLU HG3 3.150 . 4.500 3.485 3.065 3.905 . 0 0 "[ . 1 . 2]" 4
167 1 9 LYS HA 1 75 GLU HG2 3.650 . 5.500 4.758 4.469 5.009 . 0 0 "[ . 1 . 2]" 4
168 1 9 LYS HA 1 9 LYS HD3 3.150 . 4.500 3.618 2.565 4.516 0.016 4 0 "[ . 1 . 2]" 4
169 1 9 LYS HA 1 9 LYS HD2 3.150 . 4.500 4.013 3.158 4.517 0.017 6 0 "[ . 1 . 2]" 4
170 1 24 LYS HA 1 34 PHE QD 3.650 . 5.500 3.833 3.456 4.181 . 0 0 "[ . 1 . 2]" 4
171 1 24 LYS HA 1 25 LEU HA 3.650 . 5.500 4.279 4.237 4.301 . 0 0 "[ . 1 . 2]" 4
172 1 24 LYS HA 1 24 LYS QE 3.650 . 5.500 4.490 3.877 4.888 . 0 0 "[ . 1 . 2]" 4
173 1 23 VAL HB 1 24 LYS HA 3.650 . 5.500 4.396 4.329 4.479 . 0 0 "[ . 1 . 2]" 4
174 1 24 LYS HA 1 24 LYS QD 3.650 . 5.500 4.008 3.895 4.193 . 0 0 "[ . 1 . 2]" 4
175 1 24 LYS HA 1 25 LEU HG 3.650 . 5.500 3.707 3.533 3.954 . 0 0 "[ . 1 . 2]" 4
176 1 24 LYS HA 1 33 THR MG 3.650 . 5.500 3.328 2.860 3.634 . 0 0 "[ . 1 . 2]" 4
177 1 24 LYS HA 1 25 LEU MD1 3.650 . 5.500 4.488 4.293 4.713 . 0 0 "[ . 1 . 2]" 4
178 1 99 VAL MG1 1 100 ASN HA 3.150 . 4.500 3.544 3.169 3.837 . 0 0 "[ . 1 . 2]" 4
179 1 39 VAL MG1 1 100 ASN HA 3.150 . 4.500 3.572 2.605 4.519 0.019 20 0 "[ . 1 . 2]" 4
180 1 138 ASN HA 1 141 SER QB 3.650 . 5.500 3.515 2.320 4.456 . 0 0 "[ . 1 . 2]" 4
181 1 138 ASN HA 1 139 ILE HA 3.650 . 5.500 4.510 4.386 4.603 . 0 0 "[ . 1 . 2]" 4
182 1 93 TYR HB2 1 98 MET HA 3.650 . 5.500 4.729 4.468 5.231 . 0 0 "[ . 1 . 2]" 4
183 1 98 MET HA 1 101 GLU HB3 3.650 . 5.500 5.011 4.527 5.547 0.047 7 0 "[ . 1 . 2]" 4
184 1 98 MET HA 1 99 VAL MG2 3.650 . 5.500 3.528 3.405 3.806 . 0 0 "[ . 1 . 2]" 4
185 1 114 VAL MG1 1 116 LYS HA 3.650 . 5.500 3.543 3.190 3.998 . 0 0 "[ . 1 . 2]" 4
186 1 58 ALA HA 1 103 LEU HA 3.650 . 5.500 5.075 4.592 5.403 . 0 0 "[ . 1 . 2]" 4
187 1 103 LEU HA 1 106 GLN HB3 3.650 . 5.500 3.467 3.010 3.959 . 0 0 "[ . 1 . 2]" 4
188 1 103 LEU HA 1 108 LEU HB2 3.150 . 4.500 2.758 2.247 3.062 . 0 0 "[ . 1 . 2]" 4
189 1 103 LEU HA 1 109 ALA MB 3.650 . 5.500 3.914 3.726 4.055 . 0 0 "[ . 1 . 2]" 4
190 1 103 LEU HA 1 103 LEU MD2 3.150 . 4.500 2.152 2.003 3.693 . 0 0 "[ . 1 . 2]" 4
191 1 103 LEU HA 1 108 LEU MD2 3.650 . 5.500 4.429 3.543 5.227 . 0 0 "[ . 1 . 2]" 4
192 1 28 LYS HA 1 29 GLY HA3 3.650 . 5.500 4.305 4.252 4.364 . 0 0 "[ . 1 . 2]" 4
193 1 136 LYS HA 1 140 TRP HD1 3.650 . 5.500 4.656 4.038 5.267 . 0 0 "[ . 1 . 2]" 4
194 1 136 LYS HA 1 140 TRP HA 3.650 . 5.500 4.611 4.455 5.017 . 0 0 "[ . 1 . 2]" 4
195 1 132 ALA HA 1 135 GLU HG3 3.150 . 4.500 4.051 3.280 4.510 0.010 2 0 "[ . 1 . 2]" 4
196 1 116 LYS HA 1 117 PRO HB3 3.650 . 5.500 4.597 4.319 4.751 . 0 0 "[ . 1 . 2]" 4
197 1 58 ALA HA 1 60 ALA H 3.650 . 5.500 4.486 4.144 4.864 . 0 0 "[ . 1 . 2]" 4
198 1 58 ALA HA 1 61 PHE QD 3.650 . 4.500 3.984 3.228 4.504 0.004 7 0 "[ . 1 . 2]" 4
199 1 58 ALA HA 1 108 LEU MD1 3.150 . 4.500 3.450 2.123 4.502 0.002 17 0 "[ . 1 . 2]" 4
200 1 137 LEU HA 1 137 LEU MD1 3.650 . 5.500 3.201 2.014 3.872 . 0 0 "[ . 1 . 2]" 4
201 1 130 ALA HA 1 133 LYS HE3 3.650 . 5.500 4.391 3.659 4.922 . 0 0 "[ . 1 . 2]" 4
202 1 130 ALA HA 1 133 LYS HE2 3.650 . 5.500 5.055 2.820 5.571 0.071 5 0 "[ . 1 . 2]" 4
203 1 130 ALA HA 1 133 LYS HB3 3.150 . 4.500 4.081 3.892 4.262 . 0 0 "[ . 1 . 2]" 4
204 1 130 ALA HA 1 133 LYS HG3 3.650 . 5.500 3.405 2.660 3.744 . 0 0 "[ . 1 . 2]" 4
205 1 130 ALA HA 1 133 LYS HG2 3.650 . 5.500 4.656 4.146 4.901 . 0 0 "[ . 1 . 2]" 4
206 1 102 ALA HA 1 104 VAL H 3.650 . 5.500 4.487 4.355 4.610 . 0 0 "[ . 1 . 2]" 4
207 1 102 ALA HA 1 105 ARG QB 3.150 . 4.500 2.866 2.251 4.612 0.112 6 0 "[ . 1 . 2]" 4
208 1 16 LYS HA 1 17 ALA MB 3.650 . 5.500 4.024 3.898 4.109 . 0 0 "[ . 1 . 2]" 4
209 1 14 LEU MD2 1 16 LYS HA 3.650 . 5.500 3.265 2.837 4.107 . 0 0 "[ . 1 . 2]" 4
210 1 31 PRO HA 1 32 MET HA 3.650 . 5.500 4.369 4.329 4.396 . 0 0 "[ . 1 . 2]" 4
211 1 27 TYR HB3 1 32 MET HA 3.650 . 5.500 5.242 4.951 5.505 0.005 5 0 "[ . 1 . 2]" 4
212 1 7 LEU QB 1 8 HIS HA 3.650 . 5.500 4.129 3.761 4.504 . 0 0 "[ . 1 . 2]" 4
213 1 115 TYR HA 1 115 TYR QE 3.650 . 5.500 4.601 4.318 4.775 . 0 0 "[ . 1 . 2]" 4
214 1 139 ILE MG 1 140 TRP HA 3.650 . 5.500 5.186 3.363 5.519 0.019 1 0 "[ . 1 . 2]" 4
215 1 133 LYS HG2 1 140 TRP HA 3.650 . 5.500 5.152 4.623 5.527 0.027 18 0 "[ . 1 . 2]" 4
216 1 25 LEU HA 1 26 MET HA 3.650 . 5.500 4.277 4.235 4.312 . 0 0 "[ . 1 . 2]" 4
217 1 15 ILE HG12 1 26 MET HA 3.150 . 4.500 4.510 4.393 4.559 0.059 11 0 "[ . 1 . 2]" 4
218 1 121 HIS HA 1 124 LEU MD1 3.650 . 5.500 4.895 4.341 5.378 . 0 0 "[ . 1 . 2]" 4
219 1 120 THR MG 1 121 HIS HA 3.650 . 5.500 3.943 3.461 4.371 . 0 0 "[ . 1 . 2]" 4
220 1 39 VAL H 1 40 ASP HA 3.650 . 5.500 4.907 4.672 5.102 . 0 0 "[ . 1 . 2]" 4
221 1 73 GLU HA 1 74 VAL HA 3.150 . 4.500 4.357 4.323 4.400 . 0 0 "[ . 1 . 2]" 4
222 1 40 ASP HA 1 112 ALA MB 3.650 . 5.500 3.629 2.776 4.224 . 0 0 "[ . 1 . 2]" 4
223 1 39 VAL MG2 1 40 ASP HA 3.650 . 5.500 3.757 3.456 4.126 . 0 0 "[ . 1 . 2]" 4
224 1 72 ILE MG 1 73 GLU HA 3.650 . 5.500 3.698 3.529 3.847 . 0 0 "[ . 1 . 2]" 4
225 1 73 GLU HA 1 74 VAL MG1 3.650 . 5.500 3.637 3.487 3.775 . 0 0 "[ . 1 . 2]" 4
226 1 110 LYS HA 1 140 TRP HH2 3.650 . 5.500 4.194 3.686 4.912 . 0 0 "[ . 1 . 2]" 4
227 1 110 LYS HA 1 129 GLU HA 3.650 . 5.500 4.740 4.275 5.143 . 0 0 "[ . 1 . 2]" 4
228 1 110 LYS HA 1 110 LYS QD 3.150 . 4.500 3.886 3.167 4.125 . 0 0 "[ . 1 . 2]" 4
229 1 109 ALA MB 1 110 LYS HA 3.650 . 5.500 4.108 3.998 4.240 . 0 0 "[ . 1 . 2]" 4
230 1 110 LYS HA 1 111 VAL QG 3.650 . 5.500 3.775 3.565 4.235 . 0 0 "[ . 1 . 2]" 4
231 1 110 LYS HA 1 139 ILE MD 3.650 . 5.500 3.786 3.193 5.097 . 0 0 "[ . 1 . 2]" 4
232 1 10 GLU HA 1 27 TYR QE 3.650 . 5.500 4.544 4.312 4.781 . 0 0 "[ . 1 . 2]" 4
233 1 34 PHE QD 1 89 LEU HA 3.650 . 5.500 4.136 3.864 4.479 . 0 0 "[ . 1 . 2]" 4
234 1 14 LEU HA 1 25 LEU HA 3.150 . 4.500 2.665 2.356 2.798 . 0 0 "[ . 1 . 2]" 4
235 1 15 ILE MD 1 25 LEU HA 3.650 . 5.500 3.256 3.030 3.396 . 0 0 "[ . 1 . 2]" 4
236 1 7 LEU HA 1 75 GLU HG3 3.650 . 5.500 4.569 3.371 5.508 0.008 4 0 "[ . 1 . 2]" 4
237 1 7 LEU HA 1 7 LEU MD2 3.650 . 5.500 3.117 2.049 4.110 . 0 0 "[ . 1 . 2]" 4
238 1 97 LYS HA 1 98 MET HA 3.650 . 5.500 4.347 4.249 4.464 . 0 0 "[ . 1 . 2]" 4
239 1 96 GLY HA2 1 97 LYS HA 3.650 . 5.500 4.589 4.495 4.722 . 0 0 "[ . 1 . 2]" 4
240 1 106 GLN HA 1 107 GLY HA2 3.650 . 5.500 5.030 4.958 5.127 . 0 0 "[ . 1 . 2]" 4
241 1 106 GLN HA 1 132 ALA MB 3.650 . 5.500 4.171 3.844 4.694 . 0 0 "[ . 1 . 2]" 4
242 1 106 GLN HA 1 108 LEU MD1 3.650 . 5.500 4.270 3.930 4.790 . 0 0 "[ . 1 . 2]" 4
243 1 108 LEU HA 1 139 ILE HG12 3.650 . 5.500 3.531 2.880 5.534 0.034 9 0 "[ . 1 . 2]" 4
244 1 76 PHE HA 1 77 ASP HA 3.650 . 5.500 4.310 4.234 4.446 . 0 0 "[ . 1 . 2]" 4
245 1 7 LEU HA 1 77 ASP HA 3.650 . 5.500 3.715 2.371 5.185 . 0 0 "[ . 1 . 2]" 4
246 1 77 ASP HA 1 78 LYS HA 3.650 . 5.500 4.381 4.238 4.995 . 0 0 "[ . 1 . 2]" 4
247 1 78 LYS QD 1 118 ASN HA 3.650 . 5.500 4.852 2.616 5.551 0.051 20 0 "[ . 1 . 2]" 4
248 1 7 LEU MD2 1 77 ASP HA 3.150 . 4.500 2.852 1.794 4.454 0.006 19 0 "[ . 1 . 2]" 4
249 1 21 ASP HA 1 22 THR HA 3.650 . 5.500 4.510 4.356 4.645 . 0 0 "[ . 1 . 2]" 4
250 1 21 ASP HA 1 35 ARG HA 3.650 . 5.500 4.958 4.411 5.516 0.016 8 0 "[ . 1 . 2]" 4
251 1 21 ASP HA 1 62 THR MG 3.650 . 5.500 4.154 3.217 5.444 . 0 0 "[ . 1 . 2]" 4
252 1 91 TYR QE 1 119 ASN HA 3.650 . 5.500 4.698 4.201 5.313 . 0 0 "[ . 1 . 2]" 4
253 1 26 MET HG3 1 30 GLN HA 3.150 . 4.500 4.132 3.428 4.557 0.057 17 0 "[ . 1 . 2]" 4
254 1 114 VAL MG1 1 119 ASN HA 3.650 . 5.500 3.203 2.461 3.667 . 0 0 "[ . 1 . 2]" 4
255 1 12 ALA HA 1 27 TYR QD 3.650 . 5.500 3.895 3.413 4.351 . 0 0 "[ . 1 . 2]" 4
256 1 12 ALA HA 1 73 GLU HA 3.650 . 5.500 5.445 5.210 5.548 0.048 10 0 "[ . 1 . 2]" 4
257 1 12 ALA HA 1 13 THR HB 3.650 . 5.500 4.583 4.496 4.712 . 0 0 "[ . 1 . 2]" 4
258 1 12 ALA HA 1 27 TYR HB2 3.650 . 5.500 4.796 4.485 5.141 . 0 0 "[ . 1 . 2]" 4
259 1 12 ALA HA 1 74 VAL MG1 3.650 . 5.500 4.541 4.204 4.878 . 0 0 "[ . 1 . 2]" 4
260 1 12 ALA HA 1 25 LEU MD2 3.650 . 5.500 4.545 4.366 4.716 . 0 0 "[ . 1 . 2]" 4
261 1 12 ALA HA 1 74 VAL MG2 3.650 . 5.500 4.698 4.197 5.047 . 0 0 "[ . 1 . 2]" 4
262 1 34 PHE QD 1 90 ALA HA 3.650 . 5.500 4.654 4.416 4.855 . 0 0 "[ . 1 . 2]" 4
263 1 89 LEU HB3 1 90 ALA HA 3.650 . 5.500 4.535 4.273 4.712 . 0 0 "[ . 1 . 2]" 4
264 1 74 VAL HB 1 90 ALA HA 3.650 . 5.500 4.647 4.406 4.990 . 0 0 "[ . 1 . 2]" 4
265 1 17 ALA HA 1 18 ILE HA 3.150 . 4.500 4.338 4.272 4.389 . 0 0 "[ . 1 . 2]" 4
266 1 82 THR HB 1 83 ASP HA 3.650 . 5.500 4.666 4.480 4.783 . 0 0 "[ . 1 . 2]" 4
267 1 40 ASP HB3 1 112 ALA HA 3.650 . 5.500 4.036 2.997 4.858 . 0 0 "[ . 1 . 2]" 4
268 1 40 ASP HB2 1 112 ALA HA 3.650 . 5.500 3.949 2.324 4.827 . 0 0 "[ . 1 . 2]" 4
269 1 112 ALA HA 1 114 VAL MG2 3.650 . 5.500 5.202 4.881 5.541 0.041 18 0 "[ . 1 . 2]" 4
270 1 69 ALA HA 1 95 ASP HB2 3.650 . 5.500 2.557 1.845 4.702 . 0 0 "[ . 1 . 2]" 4
271 1 69 ALA HA 1 70 LYS QD 3.650 . 5.500 4.691 4.100 5.194 . 0 0 "[ . 1 . 2]" 4
272 1 69 ALA HA 1 94 ALA MB 3.150 . 4.500 3.955 3.103 4.254 . 0 0 "[ . 1 . 2]" 4
273 1 104 VAL HA 1 109 ALA HA 3.650 . 5.500 4.579 4.325 4.789 . 0 0 "[ . 1 . 2]" 4
274 1 109 ALA HA 1 139 ILE MD 3.650 . 5.500 3.129 2.695 3.837 . 0 0 "[ . 1 . 2]" 4
275 1 11 PRO HA 1 11 PRO QD 3.150 . 4.500 3.379 3.318 3.455 . 0 0 "[ . 1 . 2]" 4
276 1 117 PRO HA 1 117 PRO QD 3.650 . 5.500 3.498 3.471 3.514 . 0 0 "[ . 1 . 2]" 4
277 1 79 GLY HA3 1 117 PRO QD . . 3.500 2.458 1.984 3.361 . 0 0 "[ . 1 . 2]" 4
278 1 116 LYS HA 1 117 PRO QD 3.650 . 4.500 4.029 3.938 4.086 . 0 0 "[ . 1 . 2]" 4
279 1 117 PRO HB3 1 117 PRO QD 3.650 . 5.500 3.352 2.919 3.519 . 0 0 "[ . 1 . 2]" 4
280 1 117 PRO HB2 1 117 PRO QD 3.150 . 4.500 3.230 2.898 3.569 . 0 0 "[ . 1 . 2]" 4
281 1 20 GLY HA3 1 59 SER QB 3.650 . 5.500 4.561 3.945 5.252 . 0 0 "[ . 1 . 2]" 4
282 1 20 GLY HA3 1 58 ALA MB 3.650 . 5.500 2.257 1.964 2.550 . 0 0 "[ . 1 . 2]" 4
283 1 20 GLY HA2 1 58 ALA MB 3.650 . 4.500 2.902 2.086 3.176 . 0 0 "[ . 1 . 2]" 4
284 1 20 GLY HA3 1 41 THR MG 3.650 . 5.500 2.287 1.831 3.007 . 0 0 "[ . 1 . 2]" 4
285 1 20 GLY HA2 1 41 THR MG 4.150 . 4.500 3.507 2.999 4.260 . 0 0 "[ . 1 . 2]" 4
286 1 20 GLY HA3 1 62 THR MG 4.150 . 6.500 4.867 4.554 5.485 . 0 0 "[ . 1 . 2]" 4
287 1 20 GLY HA2 1 62 THR MG 4.150 . 6.500 3.730 3.290 4.662 . 0 0 "[ . 1 . 2]" 4
288 1 20 GLY HA2 1 103 LEU MD1 3.650 . 5.500 3.886 3.369 4.565 . 0 0 "[ . 1 . 2]" 4
289 1 107 GLY HA3 1 140 TRP HD1 3.150 . 3.500 2.550 2.341 2.788 . 0 0 "[ . 1 . 2]" 4
290 1 107 GLY HA3 1 132 ALA MB 3.650 . 5.500 2.457 2.273 2.667 . 0 0 "[ . 1 . 2]" 4
291 1 107 GLY HA2 1 132 ALA MB 3.650 . 5.500 2.314 2.103 2.489 . 0 0 "[ . 1 . 2]" 4
292 1 107 GLY HA3 1 137 LEU HB3 3.650 . 5.500 2.555 2.035 3.087 . 0 0 "[ . 1 . 2]" 4
293 1 107 GLY HA2 1 137 LEU HB3 3.650 . 5.500 4.262 3.754 4.809 . 0 0 "[ . 1 . 2]" 4
294 1 107 GLY HA3 1 137 LEU MD2 3.650 . 5.500 4.354 3.742 4.782 . 0 0 "[ . 1 . 2]" 4
295 1 82 THR MG 1 86 GLY HA3 3.650 . 5.500 4.742 4.437 5.058 . 0 0 "[ . 1 . 2]" 4
296 1 82 THR MG 1 86 GLY HA2 3.650 . 5.500 3.637 3.330 3.930 . 0 0 "[ . 1 . 2]" 4
297 1 103 LEU HB2 1 103 LEU MD2 3.150 . 4.500 3.138 2.478 3.183 . 0 0 "[ . 1 . 2]" 4
298 1 12 ALA MB 1 25 LEU HB3 3.650 . 5.500 4.073 3.746 4.258 . 0 0 "[ . 1 . 2]" 4
299 1 12 ALA MB 1 25 LEU HB2 3.650 . 5.500 2.911 2.562 3.130 . 0 0 "[ . 1 . 2]" 4
300 1 79 GLY HA2 1 117 PRO HB2 3.650 . 5.500 3.575 2.597 5.126 . 0 0 "[ . 1 . 2]" 4
301 1 79 GLY HA3 1 117 PRO HB2 3.650 . 5.500 3.407 2.639 4.803 . 0 0 "[ . 1 . 2]" 4
302 1 76 PHE QE 1 88 GLY HA3 3.650 . 5.500 3.097 2.650 3.333 . 0 0 "[ . 1 . 2]" 4
303 1 76 PHE QE 1 88 GLY HA2 3.650 . 5.500 3.342 2.791 3.656 . 0 0 "[ . 1 . 2]" 4
304 1 34 PHE QD 1 88 GLY HA3 3.650 . 5.500 3.141 2.947 3.440 . 0 0 "[ . 1 . 2]" 4
305 1 34 PHE QD 1 88 GLY HA2 3.650 . 5.500 4.461 4.267 4.710 . 0 0 "[ . 1 . 2]" 4
306 1 82 THR HA 1 88 GLY HA2 3.650 . 4.500 2.325 2.007 2.572 . 0 0 "[ . 1 . 2]" 4
307 1 34 PHE HA 1 88 GLY HA2 3.650 . 5.500 4.179 4.006 4.320 . 0 0 "[ . 1 . 2]" 4
308 1 82 THR MG 1 88 GLY HA3 3.150 . 3.500 3.307 3.060 3.554 0.054 15 0 "[ . 1 . 2]" 4
309 1 82 THR MG 1 88 GLY HA2 3.650 . 5.500 2.110 1.958 2.404 . 0 0 "[ . 1 . 2]" 4
310 1 40 ASP HB3 1 110 LYS QB 3.650 . 5.500 2.954 1.832 4.423 . 0 0 "[ . 1 . 2]" 4
311 1 40 ASP HB3 1 112 ALA MB 3.150 . 4.500 2.683 2.001 3.371 . 0 0 "[ . 1 . 2]" 4
312 1 40 ASP HB2 1 112 ALA MB 3.650 . 5.500 2.059 1.817 2.466 . 0 0 "[ . 1 . 2]" 4
313 1 107 GLY HA3 1 137 LEU HB2 3.650 . 5.500 2.168 1.956 2.329 . 0 0 "[ . 1 . 2]" 4
314 1 132 ALA HA 1 137 LEU HB3 3.650 . 5.500 4.624 4.207 5.057 . 0 0 "[ . 1 . 2]" 4
315 1 107 GLY HA2 1 137 LEU HB2 3.650 . 5.500 3.586 3.373 3.817 . 0 0 "[ . 1 . 2]" 4
316 1 132 ALA HA 1 137 LEU HB2 3.650 . 5.500 3.297 2.924 3.602 . 0 0 "[ . 1 . 2]" 4
317 1 132 ALA MB 1 137 LEU HB3 3.650 . 5.500 3.796 3.360 4.215 . 0 0 "[ . 1 . 2]" 4
318 1 132 ALA MB 1 137 LEU HB2 3.650 . 5.500 2.523 2.245 2.859 . 0 0 "[ . 1 . 2]" 4
319 1 103 LEU MD1 1 108 LEU HB3 3.650 . 5.500 4.999 4.425 5.511 0.011 16 0 "[ . 1 . 2]" 4
320 1 76 PHE QD 1 81 ARG HD2 3.650 . 5.500 4.085 3.383 4.462 . 0 0 "[ . 1 . 2]" 4
321 1 76 PHE QD 1 81 ARG HD3 3.650 . 4.500 4.226 2.799 4.613 0.113 16 0 "[ . 1 . 2]" 4
322 1 76 PHE QE 1 81 ARG HD2 3.650 . 5.500 3.872 3.348 4.451 . 0 0 "[ . 1 . 2]" 4
323 1 76 PHE QE 1 81 ARG HD3 3.650 . 5.500 4.692 3.370 5.140 . 0 0 "[ . 1 . 2]" 4
324 1 81 ARG HA 1 81 ARG HD2 3.650 . 5.500 4.682 3.476 4.915 . 0 0 "[ . 1 . 2]" 4
325 1 76 PHE HB3 1 81 ARG HD2 3.650 . 5.500 4.824 2.769 5.543 0.043 13 0 "[ . 1 . 2]" 4
326 1 81 ARG HD2 1 82 THR MG 3.650 . 5.500 4.469 4.042 5.519 0.019 5 0 "[ . 1 . 2]" 4
327 1 111 VAL QG 1 126 ARG HD2 3.650 . 5.500 3.846 1.891 4.739 . 0 0 "[ . 1 . 2]" 4
328 1 111 VAL QG 1 126 ARG HD3 3.650 . 5.500 4.115 2.560 4.943 . 0 0 "[ . 1 . 2]" 4
329 1 110 LYS QB 1 110 LYS HE2 3.150 . 4.500 3.942 3.437 4.224 . 0 0 "[ . 1 . 2]" 4
330 1 110 LYS HE2 1 110 LYS HG2 3.150 . 4.500 2.754 2.437 3.734 . 0 0 "[ . 1 . 2]" 4
331 1 110 LYS HE2 1 139 ILE HG13 3.650 . 5.500 4.112 3.334 5.523 0.023 3 0 "[ . 1 . 2]" 4
332 1 110 LYS HE2 1 139 ILE MG 3.650 . 5.500 4.725 3.685 5.524 0.024 13 0 "[ . 1 . 2]" 4
333 1 110 LYS HE3 1 139 ILE MG 3.650 . 5.500 4.203 3.376 5.221 . 0 0 "[ . 1 . 2]" 4
334 1 34 PHE HB2 1 92 ILE MD 3.650 . 4.500 2.636 2.390 3.061 . 0 0 "[ . 1 . 2]" 4
335 1 104 VAL QG 1 125 LEU HB2 3.650 . 5.500 3.724 3.526 4.163 . 0 0 "[ . 1 . 2]" 4
336 1 38 LEU HB3 1 125 LEU MD1 3.650 . 5.500 2.282 2.006 2.802 . 0 0 "[ . 1 . 2]" 4
337 1 38 LEU HB3 1 111 VAL QG 3.650 . 5.500 3.125 2.570 3.617 . 0 0 "[ . 1 . 2]" 4
338 1 38 LEU HB3 1 114 VAL MG1 3.650 . 5.500 4.786 3.801 5.508 0.008 11 0 "[ . 1 . 2]" 4
339 1 76 PHE HB3 1 81 ARG HG2 3.650 . 5.500 4.898 4.487 5.450 . 0 0 "[ . 1 . 2]" 4
340 1 58 ALA HA 1 61 PHE HB3 . . 3.500 2.622 2.200 2.997 . 0 0 "[ . 1 . 2]" 4
341 1 61 PHE HB3 1 108 LEU MD2 3.650 . 5.500 3.116 2.271 3.976 . 0 0 "[ . 1 . 2]" 4
342 1 114 VAL MG1 1 119 ASN HB3 3.150 . 4.500 2.247 1.872 4.524 0.024 3 0 "[ . 1 . 2]" 4
343 1 114 VAL MG1 1 119 ASN HB2 3.650 . 5.500 2.472 2.129 3.347 . 0 0 "[ . 1 . 2]" 4
344 1 34 PHE QD 1 92 ILE MD 3.650 . 5.500 3.138 2.550 3.597 . 0 0 "[ . 1 . 2]" 4
345 1 34 PHE HB3 1 92 ILE MD 3.150 . 4.500 2.502 2.212 3.123 . 0 0 "[ . 1 . 2]" 4
346 1 92 ILE MD 1 99 VAL HB 3.650 . 5.500 4.553 4.143 5.179 . 0 0 "[ . 1 . 2]" 4
347 1 25 LEU MD2 1 92 ILE MD 3.650 . 5.500 2.399 2.120 2.816 . 0 0 "[ . 1 . 2]" 4
348 1 74 VAL MG2 1 92 ILE MD 3.650 . 5.500 4.856 4.683 5.025 . 0 0 "[ . 1 . 2]" 4
349 1 69 ALA HA 1 72 ILE MD 3.650 . 5.500 5.507 5.352 5.576 0.076 6 0 "[ . 1 . 2]" 4
350 1 67 GLU HA 1 72 ILE MD 3.650 . 5.500 3.758 3.306 4.348 . 0 0 "[ . 1 . 2]" 4
351 1 18 ILE MD 1 24 LYS HA 3.650 . 5.500 4.396 3.709 4.691 . 0 0 "[ . 1 . 2]" 4
352 1 18 ILE MD 1 23 VAL HA 3.650 . 5.500 3.899 3.397 4.214 . 0 0 "[ . 1 . 2]" 4
353 1 17 ALA HA 1 18 ILE MD 3.650 . 5.500 4.495 4.154 5.218 . 0 0 "[ . 1 . 2]" 4
354 1 18 ILE MD 1 22 THR HB 3.650 . 5.500 4.677 3.214 5.317 . 0 0 "[ . 1 . 2]" 4
355 1 139 ILE MD 1 140 TRP HZ2 3.650 . 5.500 3.422 2.945 5.247 . 0 0 "[ . 1 . 2]" 4
356 1 42 PRO HD3 1 139 ILE MD 3.650 . 5.500 3.036 2.453 4.111 . 0 0 "[ . 1 . 2]" 4
357 1 110 LYS QB 1 139 ILE MD 3.650 . 5.500 3.840 1.948 4.701 . 0 0 "[ . 1 . 2]" 4
358 1 110 LYS HG2 1 139 ILE MD 3.650 . 5.500 2.926 2.178 4.518 . 0 0 "[ . 1 . 2]" 4
359 1 15 ILE HA 1 15 ILE MD 3.150 . 4.500 3.849 3.812 3.892 . 0 0 "[ . 1 . 2]" 4
360 1 15 ILE MD 1 26 MET HG3 3.650 . 5.500 3.276 2.833 3.541 . 0 0 "[ . 1 . 2]" 4
361 1 108 LEU HA 1 139 ILE MG 3.650 . 5.500 2.401 2.037 3.259 . 0 0 "[ . 1 . 2]" 4
362 1 15 ILE MG 1 24 LYS HB3 3.150 . 4.500 3.953 3.653 4.137 . 0 0 "[ . 1 . 2]" 4
363 1 18 ILE MG 1 23 VAL HA 3.650 . 5.500 4.555 4.259 4.754 . 0 0 "[ . 1 . 2]" 4
364 1 18 ILE MG 1 22 THR HB 3.150 . 4.500 2.880 2.728 3.158 . 0 0 "[ . 1 . 2]" 4
365 1 66 VAL HB 1 72 ILE MG 3.650 . 5.500 3.367 3.156 3.534 . 0 0 "[ . 1 . 2]" 4
366 1 12 ALA MB 1 72 ILE MG 3.650 . 5.500 2.306 2.113 2.684 . 0 0 "[ . 1 . 2]" 4
367 1 72 ILE MG 1 92 ILE MD 3.650 . 5.500 3.861 3.639 4.164 . 0 0 "[ . 1 . 2]" 4
368 1 72 ILE MG 1 74 VAL MG1 3.650 . 5.500 2.937 2.704 3.174 . 0 0 "[ . 1 . 2]" 4
369 1 25 LEU MD2 1 72 ILE MG 3.650 . 5.500 2.473 2.271 2.642 . 0 0 "[ . 1 . 2]" 4
370 1 72 ILE MG 1 74 VAL MG2 3.650 . 5.500 4.617 4.392 4.876 . 0 0 "[ . 1 . 2]" 4
371 1 72 ILE HA 1 92 ILE MG 3.650 . 5.500 4.160 3.938 4.326 . 0 0 "[ . 1 . 2]" 4
372 1 92 ILE MG 1 93 TYR HB2 3.650 . 5.500 4.505 4.400 4.600 . 0 0 "[ . 1 . 2]" 4
373 1 66 VAL HB 1 92 ILE MG 3.650 . 5.500 4.273 3.841 4.530 . 0 0 "[ . 1 . 2]" 4
374 1 92 ILE MG 1 99 VAL MG2 3.650 . 5.500 2.431 2.143 2.870 . 0 0 "[ . 1 . 2]" 4
375 1 92 ILE MD 1 92 ILE MG 3.150 . 4.500 1.998 1.964 2.047 . 0 0 "[ . 1 . 2]" 4
376 1 25 LEU MD2 1 92 ILE MG 3.650 . 5.500 2.910 2.728 3.149 . 0 0 "[ . 1 . 2]" 4
377 1 74 VAL MG2 1 92 ILE MG 3.650 . 5.500 4.860 4.707 5.041 . 0 0 "[ . 1 . 2]" 4
378 1 38 LEU HB3 1 114 VAL MG2 3.650 . 5.500 3.816 2.552 4.765 . 0 0 "[ . 1 . 2]" 4
379 1 111 VAL QG 1 114 VAL MG2 3.650 . 5.500 2.806 2.444 3.365 . 0 0 "[ . 1 . 2]" 4
380 1 27 TYR QD 1 74 VAL MG1 3.650 . 5.500 3.672 3.420 3.893 . 0 0 "[ . 1 . 2]" 4
381 1 27 TYR QE 1 74 VAL MG1 3.150 . 4.500 4.466 4.304 4.529 0.029 20 0 "[ . 1 . 2]" 4
382 1 74 VAL MG1 1 76 PHE HZ 3.650 . 5.500 4.479 3.898 4.789 . 0 0 "[ . 1 . 2]" 4
383 1 34 PHE HZ 1 74 VAL MG1 3.650 . 5.500 3.514 2.923 3.828 . 0 0 "[ . 1 . 2]" 4
384 1 34 PHE HB2 1 74 VAL MG1 3.650 . 5.500 4.476 3.906 5.296 . 0 0 "[ . 1 . 2]" 4
385 1 74 VAL MG1 1 92 ILE HG12 3.650 . 5.500 1.872 1.833 1.934 . 0 0 "[ . 1 . 2]" 4
386 1 25 LEU MD2 1 74 VAL MG1 3.650 . 5.500 2.186 2.091 2.368 . 0 0 "[ . 1 . 2]" 4
387 1 27 TYR QD 1 74 VAL MG2 3.650 . 5.500 2.671 2.278 3.134 . 0 0 "[ . 1 . 2]" 4
388 1 74 VAL MG2 1 76 PHE QE 3.650 . 5.500 2.404 2.100 2.612 . 0 0 "[ . 1 . 2]" 4
389 1 27 TYR QE 1 74 VAL MG2 3.650 . 5.500 2.530 2.254 2.702 . 0 0 "[ . 1 . 2]" 4
390 1 74 VAL MG2 1 76 PHE HZ 3.650 . 5.500 2.839 2.384 3.176 . 0 0 "[ . 1 . 2]" 4
391 1 34 PHE HZ 1 74 VAL MG2 3.650 . 5.500 2.785 2.496 3.057 . 0 0 "[ . 1 . 2]" 4
392 1 74 VAL MG2 1 76 PHE HA 3.650 . 5.500 5.245 5.023 5.367 . 0 0 "[ . 1 . 2]" 4
393 1 73 GLU HB2 1 74 VAL MG2 3.650 . 5.500 5.488 5.341 5.539 0.039 2 0 "[ . 1 . 2]" 4
394 1 74 VAL MG2 1 90 ALA MB 3.650 . 5.500 3.034 2.876 3.288 . 0 0 "[ . 1 . 2]" 4
395 1 133 LYS HG3 1 140 TRP HE3 3.650 . 5.500 4.772 4.566 5.055 . 0 0 "[ . 1 . 2]" 4
396 1 129 GLU HG3 1 133 LYS HG2 3.650 . 5.500 4.603 4.367 4.862 . 0 0 "[ . 1 . 2]" 4
397 1 104 VAL QG 1 132 ALA MB 3.650 . 5.500 3.393 3.212 3.608 . 0 0 "[ . 1 . 2]" 4
398 1 58 ALA MB 1 103 LEU MD2 3.150 . 4.500 2.994 2.000 3.812 . 0 0 "[ . 1 . 2]" 4
399 1 58 ALA MB 1 108 LEU MD2 3.650 . 5.500 2.998 2.595 3.368 . 0 0 "[ . 1 . 2]" 4
400 1 128 SER HA 1 130 ALA MB 3.650 . 5.500 4.960 4.808 5.250 . 0 0 "[ . 1 . 2]" 4
401 1 130 ALA MB 1 131 GLN QG 3.650 . 5.500 4.797 3.600 5.286 . 0 0 "[ . 1 . 2]" 4
402 1 99 VAL HA 1 102 ALA MB 3.650 . 4.500 2.598 2.223 2.996 . 0 0 "[ . 1 . 2]" 4
403 1 17 ALA MB 1 59 SER HA 3.650 . 5.500 3.960 3.308 4.523 . 0 0 "[ . 1 . 2]" 4
404 1 17 ALA MB 1 63 LYS QE 3.650 . 5.500 3.924 2.985 4.780 . 0 0 "[ . 1 . 2]" 4
405 1 17 ALA MB 1 67 GLU HG3 3.650 . 5.500 4.676 3.761 5.517 0.017 20 0 "[ . 1 . 2]" 4
406 1 17 ALA MB 1 23 VAL MG1 3.150 . 4.500 2.546 2.285 2.826 . 0 0 "[ . 1 . 2]" 4
407 1 17 ALA HA 1 66 VAL MG1 4.150 . 6.500 6.180 5.395 6.517 0.017 20 0 "[ . 1 . 2]" 4
408 1 66 VAL MG1 1 99 VAL HA 3.650 . 5.500 4.912 4.553 5.400 . 0 0 "[ . 1 . 2]" 4
409 1 17 ALA MB 1 66 VAL MG1 3.650 . 5.500 4.931 4.371 5.431 . 0 0 "[ . 1 . 2]" 4
410 1 39 VAL MG2 1 100 ASN HD21 3.650 . 5.500 3.397 2.017 5.107 . 0 0 "[ . 1 . 2]" 4
411 1 39 VAL MG2 1 100 ASN HD22 3.650 . 5.500 4.277 3.020 5.564 0.064 11 0 "[ . 1 . 2]" 4
412 1 21 ASP HA 1 39 VAL MG2 3.650 . 4.500 3.637 2.691 4.584 0.084 3 0 "[ . 1 . 2]" 4
413 1 39 VAL MG2 1 100 ASN HA 3.150 . 3.500 3.425 2.884 3.563 0.063 17 0 "[ . 1 . 2]" 4
414 1 39 VAL MG2 1 100 ASN HB3 3.650 . 5.500 3.515 2.228 5.414 . 0 0 "[ . 1 . 2]" 4
415 1 21 ASP HB2 1 39 VAL MG2 3.650 . 5.500 2.830 2.210 4.263 . 0 0 "[ . 1 . 2]" 4
416 1 38 LEU HB3 1 39 VAL MG2 3.650 . 5.500 4.805 4.190 5.441 . 0 0 "[ . 1 . 2]" 4
417 1 39 VAL MG2 1 109 ALA MB 3.650 . 5.500 3.094 2.522 3.515 . 0 0 "[ . 1 . 2]" 4
418 1 23 VAL MG2 1 34 PHE QD 3.650 . 5.500 3.726 3.382 4.080 . 0 0 "[ . 1 . 2]" 4
419 1 23 VAL MG2 1 24 LYS HA 3.650 . 5.500 3.687 3.584 3.833 . 0 0 "[ . 1 . 2]" 4
420 1 23 VAL HA 1 23 VAL MG2 3.150 . 4.500 3.231 3.224 3.238 . 0 0 "[ . 1 . 2]" 4
421 1 17 ALA HA 1 23 VAL MG2 3.150 . 4.500 4.362 4.223 4.516 0.016 6 0 "[ . 1 . 2]" 4
422 1 23 VAL MG2 1 34 PHE HB3 3.150 . 4.500 3.495 3.149 3.832 . 0 0 "[ . 1 . 2]" 4
423 1 23 VAL MG2 1 92 ILE MD 3.650 . 5.500 2.151 2.004 2.339 . 0 0 "[ . 1 . 2]" 4
424 1 23 VAL MG2 1 25 LEU MD2 3.650 . 5.500 2.453 2.072 2.703 . 0 0 "[ . 1 . 2]" 4
425 1 111 VAL QG 1 112 ALA HA 3.650 . 5.500 3.796 3.579 3.951 . 0 0 "[ . 1 . 2]" 4
426 1 89 LEU HA 1 89 LEU MD2 3.150 . 4.500 2.136 2.078 2.235 . 0 0 "[ . 1 . 2]" 4
427 1 35 ARG HB3 1 89 LEU MD2 3.650 . 5.500 3.537 2.166 4.998 . 0 0 "[ . 1 . 2]" 4
428 1 72 ILE HA 1 94 ALA MB 3.650 . 5.500 4.268 3.983 4.453 . 0 0 "[ . 1 . 2]" 4
429 1 93 TYR HA 1 94 ALA MB 3.150 . 4.500 3.938 3.851 4.014 . 0 0 "[ . 1 . 2]" 4
430 1 94 ALA MB 1 97 LYS QE 3.650 . 5.500 4.606 2.792 5.519 0.019 1 0 "[ . 1 . 2]" 4
431 1 65 MET HG3 1 94 ALA MB 3.150 . 4.500 3.001 2.378 4.325 . 0 0 "[ . 1 . 2]" 4
432 1 104 VAL H 1 104 VAL QG 3.150 . 4.500 2.072 1.968 2.209 . 0 0 "[ . 1 . 2]" 4
433 1 25 LEU MD2 1 34 PHE QD 3.650 . 5.500 3.669 3.495 3.882 . 0 0 "[ . 1 . 2]" 4
434 1 25 LEU HA 1 25 LEU MD2 3.650 . 5.500 4.094 4.080 4.119 . 0 0 "[ . 1 . 2]" 4
435 1 25 LEU MD2 1 34 PHE HB2 3.650 . 5.500 3.598 3.179 4.131 . 0 0 "[ . 1 . 2]" 4
436 1 25 LEU MD2 1 74 VAL MG2 3.650 . 5.500 3.979 3.793 4.264 . 0 0 "[ . 1 . 2]" 4
437 1 61 PHE QD 1 108 LEU MD2 3.650 . 5.500 3.279 2.284 4.456 . 0 0 "[ . 1 . 2]" 4
438 1 108 LEU HA 1 108 LEU MD2 3.650 . 5.500 3.052 2.214 3.769 . 0 0 "[ . 1 . 2]" 4
439 1 58 ALA HA 1 108 LEU MD2 . . 3.500 2.319 1.941 2.824 . 0 0 "[ . 1 . 2]" 4
440 1 61 PHE HA 1 108 LEU MD2 3.650 . 5.500 4.891 4.163 5.662 0.162 2 0 "[ . 1 . 2]" 4
441 1 106 GLN HG3 1 108 LEU MD2 3.650 . 5.500 4.133 3.346 4.639 . 0 0 "[ . 1 . 2]" 4
442 1 106 GLN HG2 1 108 LEU MD2 3.650 . 5.500 4.394 3.979 4.965 . 0 0 "[ . 1 . 2]" 4
443 1 106 GLN HB3 1 108 LEU MD2 3.650 . 5.500 4.353 3.963 4.699 . 0 0 "[ . 1 . 2]" 4
444 1 103 LEU MD2 1 108 LEU MD2 3.650 . 5.500 3.817 2.749 4.608 . 0 0 "[ . 1 . 2]" 4
445 1 101 GLU HA 1 125 LEU MD1 3.650 . 5.500 4.398 4.146 4.704 . 0 0 "[ . 1 . 2]" 4
446 1 121 HIS HB3 1 125 LEU MD1 3.650 . 5.500 3.986 3.500 4.552 . 0 0 "[ . 1 . 2]" 4
447 1 100 ASN HB3 1 125 LEU MD1 3.650 . 5.500 3.186 2.138 4.904 . 0 0 "[ . 1 . 2]" 4
448 1 21 ASP HA 1 109 ALA MB 3.650 . 5.500 5.204 4.723 5.502 0.002 15 0 "[ . 1 . 2]" 4
449 1 104 VAL HA 1 109 ALA MB 3.150 . 4.500 2.601 2.226 2.771 . 0 0 "[ . 1 . 2]" 4
450 1 21 ASP HB2 1 109 ALA MB 3.650 . 5.500 5.037 3.999 5.569 0.069 19 0 "[ . 1 . 2]" 4
451 1 38 LEU MD2 1 119 ASN HA . . 3.500 2.717 1.892 3.511 0.011 6 0 "[ . 1 . 2]" 4
452 1 38 LEU MD2 1 122 GLU HA 3.150 . 4.500 3.681 1.906 4.558 0.058 3 0 "[ . 1 . 2]" 4
453 1 38 LEU MD2 1 114 VAL HA 3.650 . 5.500 4.593 3.828 5.293 . 0 0 "[ . 1 . 2]" 4
454 1 38 LEU MD2 1 114 VAL MG2 3.650 . 5.500 4.167 3.107 5.148 . 0 0 "[ . 1 . 2]" 4
455 1 25 LEU MD2 1 92 ILE HG12 3.650 . 5.500 3.370 3.081 3.615 . 0 0 "[ . 1 . 2]" 4
456 1 74 VAL MG2 1 92 ILE HG12 3.650 . 5.500 4.473 4.358 4.602 . 0 0 "[ . 1 . 2]" 4
457 1 38 LEU MD1 1 122 GLU HA 3.650 . 4.500 3.315 2.318 4.638 0.138 19 0 "[ . 1 . 2]" 4
458 1 38 LEU MD1 1 114 VAL MG2 3.650 . 4.500 2.655 1.938 3.824 . 0 0 "[ . 1 . 2]" 4
459 1 135 GLU HB2 1 137 LEU MD1 3.150 . 4.500 3.300 2.690 4.306 . 0 0 "[ . 1 . 2]" 4
460 1 7 LEU MD2 1 77 ASP HB2 3.650 . 5.500 4.308 3.166 5.559 0.059 7 0 "[ . 1 . 2]" 4
461 1 7 LEU MD2 1 75 GLU HG3 3.650 . 5.500 4.708 3.344 5.539 0.039 13 0 "[ . 1 . 2]" 4
462 1 74 VAL MG2 1 92 ILE HG13 3.650 . 5.500 5.546 5.535 5.569 0.069 5 0 "[ . 1 . 2]" 4
463 1 21 ASP HA 1 103 LEU MD2 3.650 . 5.500 5.123 3.816 5.569 0.069 15 0 "[ . 1 . 2]" 4
464 1 100 ASN HA 1 103 LEU MD2 3.650 . 5.500 4.471 3.068 4.979 . 0 0 "[ . 1 . 2]" 4
465 1 103 LEU MD2 1 108 LEU HB2 3.650 . 5.500 3.133 2.765 3.511 . 0 0 "[ . 1 . 2]" 4
466 1 14 LEU MD1 1 67 GLU HA 3.650 . 5.500 5.407 3.706 5.576 0.076 13 0 "[ . 1 . 2]" 4
467 1 14 LEU MD1 1 67 GLU HG3 3.650 . 5.500 4.745 2.884 5.075 . 0 0 "[ . 1 . 2]" 4
468 1 14 LEU MD1 1 66 VAL HB 3.150 . 4.500 3.548 2.957 4.346 . 0 0 "[ . 1 . 2]" 4
469 1 121 HIS HA 1 124 LEU MD2 3.650 . 5.500 4.751 3.652 5.436 . 0 0 "[ . 1 . 2]" 4
470 1 121 HIS HB3 1 124 LEU MD2 3.650 . 5.500 4.059 2.378 5.046 . 0 0 "[ . 1 . 2]" 4
471 1 9 LYS HG2 1 75 GLU HB3 3.650 . 5.500 4.997 3.888 5.525 0.025 14 0 "[ . 1 . 2]" 4
472 1 76 PHE QD 1 90 ALA MB 3.650 . 5.500 2.781 2.362 3.226 . 0 0 "[ . 1 . 2]" 4
473 1 75 GLU HA 1 90 ALA MB 3.650 . 5.500 3.831 3.632 4.005 . 0 0 "[ . 1 . 2]" 4
474 1 25 LEU MD2 1 90 ALA MB 3.650 . 5.500 4.713 4.462 4.872 . 0 0 "[ . 1 . 2]" 4
475 1 23 VAL MG1 1 24 LYS H 3.650 . 5.500 3.694 3.640 3.767 . 0 0 "[ . 1 . 2]" 4
476 1 23 VAL MG1 1 34 PHE HB2 3.650 . 5.500 4.848 4.543 5.159 . 0 0 "[ . 1 . 2]" 4
477 1 23 VAL MG1 1 25 LEU MD2 3.650 . 5.500 4.237 3.918 4.512 . 0 0 "[ . 1 . 2]" 4
478 1 106 GLN HA 1 137 LEU MD2 3.150 . 4.500 4.018 3.621 4.505 0.005 6 0 "[ . 1 . 2]" 4
479 1 135 GLU HB3 1 137 LEU MD2 3.650 . 5.500 2.829 2.497 3.567 . 0 0 "[ . 1 . 2]" 4
480 1 114 VAL MG1 1 115 TYR HA 3.650 . 5.500 3.725 3.414 4.038 . 0 0 "[ . 1 . 2]" 4
481 1 114 VAL MG1 1 122 GLU HA 3.650 . 5.500 4.624 3.886 5.381 . 0 0 "[ . 1 . 2]" 4
482 1 38 LEU MD1 1 114 VAL MG1 3.650 . 5.500 2.311 1.905 3.089 . 0 0 "[ . 1 . 2]" 4
483 1 107 GLY HA2 1 108 LEU MD1 3.650 . 5.500 4.725 3.992 5.524 0.024 10 0 "[ . 1 . 2]" 4
484 1 61 PHE HB3 1 108 LEU MD1 3.650 . 5.500 3.411 2.128 4.518 . 0 0 "[ . 1 . 2]" 4
485 1 108 LEU MD1 1 138 ASN HB3 3.650 . 5.500 4.762 4.310 5.385 . 0 0 "[ . 1 . 2]" 4
486 1 106 GLN HG3 1 108 LEU MD1 3.650 . 5.500 2.469 2.085 3.007 . 0 0 "[ . 1 . 2]" 4
487 1 58 ALA MB 1 108 LEU MD1 3.650 . 5.500 4.076 3.325 4.792 . 0 0 "[ . 1 . 2]" 4
488 1 14 LEU MD2 1 15 ILE H 3.650 . 5.500 3.886 1.803 4.201 . 0 0 "[ . 1 . 2]" 4
489 1 14 LEU MD2 1 25 LEU HA 3.650 . 5.500 5.316 2.977 5.566 0.066 19 0 "[ . 1 . 2]" 4
490 1 14 LEU MD2 1 67 GLU HA 3.650 . 5.500 3.612 3.115 5.441 . 0 0 "[ . 1 . 2]" 4
491 1 14 LEU MD2 1 17 ALA MB 4.150 . 6.500 2.757 2.092 3.350 . 0 0 "[ . 1 . 2]" 4
492 1 14 LEU MD2 1 25 LEU MD2 3.650 . 5.500 5.149 2.850 5.513 0.013 15 0 "[ . 1 . 2]" 4
493 1 27 TYR QD 1 28 LYS HG2 3.650 . 5.500 4.721 4.528 4.927 . 0 0 "[ . 1 . 2]" 4
494 1 27 TYR QE 1 28 LYS HG2 3.650 . 4.500 4.480 4.326 4.548 0.048 12 0 "[ . 1 . 2]" 4
495 1 22 THR MG 1 35 ARG HA 3.150 . 4.500 3.547 3.225 3.896 . 0 0 "[ . 1 . 2]" 4
496 1 39 VAL MG1 1 100 ASN HB3 3.650 . 5.500 3.196 2.301 4.614 . 0 0 "[ . 1 . 2]" 4
497 1 31 PRO HG2 1 32 MET HA 3.650 . 5.500 5.019 4.762 5.373 . 0 0 "[ . 1 . 2]" 4
498 1 15 ILE MD 1 31 PRO HG3 3.150 . 4.500 3.747 3.538 3.928 . 0 0 "[ . 1 . 2]" 4
499 1 133 LYS HB3 1 140 TRP HE3 3.650 . 5.500 5.026 4.614 5.525 0.025 16 0 "[ . 1 . 2]" 4
500 1 133 LYS HB3 1 134 LYS HA 3.650 . 5.500 4.038 3.922 4.139 . 0 0 "[ . 1 . 2]" 4
501 1 133 LYS HB2 1 134 LYS HA 3.650 . 5.500 4.357 3.995 4.503 . 0 0 "[ . 1 . 2]" 4
502 1 139 ILE HB 1 139 ILE MD 3.150 . 4.500 2.426 2.306 2.487 . 0 0 "[ . 1 . 2]" 4
503 1 74 VAL HB 1 90 ALA MB 3.650 . 5.500 2.023 1.875 2.289 . 0 0 "[ . 1 . 2]" 4
504 1 8 HIS HB3 1 8 HIS HD2 3.650 . 5.500 3.036 2.934 3.525 . 0 0 "[ . 1 . 2]" 4
505 1 8 HIS HB2 1 8 HIS HD2 3.650 . 5.500 3.953 3.874 3.987 . 0 0 "[ . 1 . 2]" 4
506 1 140 TRP HB3 1 140 TRP HD1 3.650 . 4.500 3.671 3.548 3.730 . 0 0 "[ . 1 . 2]" 4
507 1 140 TRP HB2 1 140 TRP HD1 3.150 . 3.500 2.557 2.523 2.596 . 0 0 "[ . 1 . 2]" 4
508 1 136 LYS QG 1 140 TRP HB3 3.650 . 5.500 4.035 3.573 4.587 . 0 0 "[ . 1 . 2]" 4
509 1 136 LYS QG 1 140 TRP HB2 3.650 . 5.500 4.420 4.034 4.903 . 0 0 "[ . 1 . 2]" 4
510 1 15 ILE MG 1 16 LYS HB3 3.650 . 4.500 4.314 3.116 4.528 0.028 15 0 "[ . 1 . 2]" 4
511 1 27 TYR HB3 1 32 MET HB3 3.650 . 5.500 2.801 2.402 4.212 . 0 0 "[ . 1 . 2]" 4
512 1 27 TYR HB3 1 32 MET HB2 3.650 . 5.500 3.046 2.649 3.425 . 0 0 "[ . 1 . 2]" 4
513 1 17 ALA MB 1 23 VAL HB 3.150 . 4.500 3.966 3.649 4.202 . 0 0 "[ . 1 . 2]" 4
514 1 23 VAL HB 1 92 ILE MD 3.650 . 5.500 4.406 4.244 4.632 . 0 0 "[ . 1 . 2]" 4
515 1 23 VAL HB 1 25 LEU MD2 3.650 . 5.500 3.906 3.617 4.194 . 0 0 "[ . 1 . 2]" 4
516 1 101 GLU HA 1 125 LEU HG 3.150 . 4.500 4.533 4.501 4.566 0.066 3 0 "[ . 1 . 2]" 4
517 1 27 TYR QE 1 28 LYS QD 3.650 . 4.500 3.066 2.493 3.437 . 0 0 "[ . 1 . 2]" 4
518 1 38 LEU MD1 1 118 ASN HB2 3.650 . 5.500 4.190 3.249 5.043 . 0 0 "[ . 1 . 2]" 4
519 1 38 LEU MD1 1 118 ASN HB3 3.650 . 5.500 3.853 2.771 4.721 . 0 0 "[ . 1 . 2]" 4
520 1 61 PHE QD 1 103 LEU MD1 3.650 . 4.500 4.332 2.165 4.521 0.021 15 0 "[ . 1 . 2]" 4
521 1 100 ASN HB3 1 103 LEU MD1 3.650 . 5.500 4.391 3.252 5.404 . 0 0 "[ . 1 . 2]" 4
522 1 12 ALA MB 1 27 TYR QD 3.650 . 4.500 2.775 2.111 3.102 . 0 0 "[ . 1 . 2]" 4
523 1 12 ALA MB 1 73 GLU HA 3.650 . 5.500 3.460 3.203 3.783 . 0 0 "[ . 1 . 2]" 4
524 1 12 ALA MB 1 74 VAL MG1 3.650 . 5.500 2.167 1.932 2.402 . 0 0 "[ . 1 . 2]" 4
525 1 12 ALA MB 1 74 VAL MG2 3.650 . 5.500 2.755 2.406 2.985 . 0 0 "[ . 1 . 2]" 4
526 1 15 ILE MD 1 24 LYS QE 3.650 . 5.500 3.747 3.038 5.187 . 0 0 "[ . 1 . 2]" 4
527 1 12 ALA MB 1 25 LEU MD2 3.650 . 4.500 2.191 2.043 2.305 . 0 0 "[ . 1 . 2]" 4
528 1 14 LEU HB2 1 25 LEU MD2 3.650 . 5.500 4.284 3.923 4.585 . 0 0 "[ . 1 . 2]" 4
529 1 103 LEU H 1 109 ALA MB 3.650 . 5.500 4.593 4.398 4.743 . 0 0 "[ . 1 . 2]" 4
530 1 104 VAL HA 1 104 VAL QG 3.150 . 3.500 2.119 2.089 2.133 . 0 0 "[ . 1 . 2]" 4
531 1 18 ILE HA 1 18 ILE HG13 3.150 . 4.500 3.600 3.076 3.807 . 0 0 "[ . 1 . 2]" 4
532 1 14 LEU MD2 1 66 VAL HB 3.650 . 5.500 3.525 2.934 3.973 . 0 0 "[ . 1 . 2]" 4
533 1 32 MET HG3 1 34 PHE QD 3.650 . 5.500 4.966 4.610 5.518 0.018 4 0 "[ . 1 . 2]" 4
534 1 18 ILE MD 1 24 LYS HB2 3.650 . 5.500 2.293 1.978 2.561 . 0 0 "[ . 1 . 2]" 4
535 1 101 GLU HG2 1 102 ALA H 3.150 . 4.500 3.959 3.539 4.565 0.065 1 0 "[ . 1 . 2]" 4
536 1 101 GLU HG3 1 102 ALA H 3.650 . 5.500 4.826 4.608 5.123 . 0 0 "[ . 1 . 2]" 4
537 1 114 VAL MG1 1 122 GLU QG 3.150 . 4.500 3.243 2.504 4.063 . 0 0 "[ . 1 . 2]" 4
538 1 10 GLU QG 1 27 TYR QE 3.650 . 4.500 2.861 2.479 3.654 . 0 0 "[ . 1 . 2]" 4
539 1 15 ILE MD 1 25 LEU H 3.650 . 5.500 4.124 3.869 4.329 . 0 0 "[ . 1 . 2]" 4
540 1 138 ASN HB2 1 139 ILE MG 3.150 . 4.500 3.361 2.805 4.085 . 0 0 "[ . 1 . 2]" 4
541 1 15 ILE MG 1 24 LYS QE 3.650 . 5.500 3.831 2.114 5.245 . 0 0 "[ . 1 . 2]" 4
542 1 15 ILE MG 1 16 LYS HA 3.650 . 4.500 4.083 3.944 4.231 . 0 0 "[ . 1 . 2]" 4
543 1 15 ILE MG 1 31 PRO HA 3.650 . 5.500 4.937 4.599 5.330 . 0 0 "[ . 1 . 2]" 4
544 1 92 ILE MG 1 99 VAL HB 3.650 . 5.500 3.508 3.177 3.934 . 0 0 "[ . 1 . 2]" 4
545 1 72 ILE MG 1 94 ALA HA 3.650 . 5.500 3.323 3.104 3.603 . 0 0 "[ . 1 . 2]" 4
546 1 38 LEU HA 1 114 VAL MG2 3.650 . 5.500 3.342 1.895 4.902 . 0 0 "[ . 1 . 2]" 4
547 1 114 VAL MG2 1 122 GLU QG 3.650 . 5.500 2.910 1.903 4.101 . 0 0 "[ . 1 . 2]" 4
548 1 25 LEU MD1 1 74 VAL MG1 3.650 . 5.500 2.530 2.274 2.831 . 0 0 "[ . 1 . 2]" 4
549 1 74 VAL MG2 1 75 GLU HA 3.650 . 5.500 4.088 3.898 4.239 . 0 0 "[ . 1 . 2]" 4
550 1 17 ALA MB 1 18 ILE HA 3.150 . 4.500 4.336 4.179 4.500 0.000 18 0 "[ . 1 . 2]" 4
551 1 14 LEU HA 1 14 LEU MD1 3.650 . 5.500 2.252 2.112 3.270 . 0 0 "[ . 1 . 2]" 4
552 1 99 VAL MG1 1 100 ASN H 3.650 . 5.500 3.419 3.144 3.715 . 0 0 "[ . 1 . 2]" 4
553 1 99 VAL MG2 1 100 ASN H 3.650 . 5.500 3.645 3.469 3.766 . 0 0 "[ . 1 . 2]" 4
554 1 12 ALA MB 1 27 TYR QE 3.650 . 5.500 4.300 3.707 4.670 . 0 0 "[ . 1 . 2]" 4
555 1 39 VAL MG1 1 100 ASN HB2 3.650 . 5.500 3.951 1.883 5.180 . 0 0 "[ . 1 . 2]" 4
556 1 104 VAL QG 1 129 GLU HG3 3.650 . 5.500 3.164 2.955 3.385 . 0 0 "[ . 1 . 2]" 4
557 1 133 LYS HE3 1 133 LYS HG2 3.150 . 4.500 3.072 2.643 3.844 . 0 0 "[ . 1 . 2]" 4
558 1 129 GLU HG3 1 133 LYS HG3 3.150 . 4.500 3.451 3.201 3.774 . 0 0 "[ . 1 . 2]" 4
559 1 110 LYS HE3 1 139 ILE MD 3.650 . 5.500 2.480 1.946 3.703 . 0 0 "[ . 1 . 2]" 4
560 1 73 GLU H 1 92 ILE MG 3.650 . 5.500 3.574 3.444 3.680 . 0 0 "[ . 1 . 2]" 4
561 1 15 ILE H 1 15 ILE MG 3.650 . 5.500 3.813 3.772 3.982 . 0 0 "[ . 1 . 2]" 4
562 1 60 ALA MB 1 64 LYS H 3.650 . 5.500 4.336 4.092 4.483 . 0 0 "[ . 1 . 2]" 4
563 1 74 VAL MG1 1 92 ILE HA 3.150 . 4.500 3.137 2.950 3.258 . 0 0 "[ . 1 . 2]" 4
564 1 23 VAL MG2 1 24 LYS H 3.650 . 5.500 3.488 3.306 3.782 . 0 0 "[ . 1 . 2]" 4
565 1 14 LEU HA 1 23 VAL MG2 3.650 . 5.500 4.937 4.644 5.340 . 0 0 "[ . 1 . 2]" 4
566 1 83 ASP HB2 1 89 LEU MD2 3.650 . 5.500 2.042 1.863 2.804 . 0 0 "[ . 1 . 2]" 4
567 1 110 LYS HE3 1 140 TRP HH2 3.650 . 5.500 4.837 3.390 5.408 . 0 0 "[ . 1 . 2]" 4
568 1 108 LEU HB2 1 109 ALA HA 3.650 . 5.500 4.852 4.533 5.238 . 0 0 "[ . 1 . 2]" 4
569 1 38 LEU MD1 1 116 LYS HA 3.650 . 5.500 5.219 4.501 5.515 0.015 1 0 "[ . 1 . 2]" 4
570 1 10 GLU HB3 1 74 VAL MG1 3.650 . 5.500 5.483 5.303 5.534 0.034 3 0 "[ . 1 . 2]" 4
571 1 41 THR MG 1 42 PRO HD3 3.650 . 5.500 3.461 2.974 3.771 . 0 0 "[ . 1 . 2]" 4
572 1 41 THR MG 1 42 PRO HD2 3.650 . 5.500 3.404 2.789 3.954 . 0 0 "[ . 1 . 2]" 4
573 1 42 PRO HD2 1 58 ALA MB 3.650 . 5.500 2.942 2.004 4.536 . 0 0 "[ . 1 . 2]" 4
574 1 42 PRO HD3 1 58 ALA MB 3.650 . 5.500 3.915 2.883 4.862 . 0 0 "[ . 1 . 2]" 4
575 1 122 GLU QG 1 126 ARG HD2 3.650 . 5.500 3.562 2.607 4.283 . 0 0 "[ . 1 . 2]" 4
576 1 122 GLU QG 1 126 ARG HD3 3.650 . 5.500 4.728 3.425 5.541 0.041 11 0 "[ . 1 . 2]" 4
577 1 82 THR HA 1 82 THR HB 2.300 . 2.800 2.546 2.503 2.599 . 0 0 "[ . 1 . 2]" 4
578 1 82 THR HB 1 86 GLY HA3 3.150 . 4.500 4.451 4.217 4.579 0.079 15 0 "[ . 1 . 2]" 4
579 1 82 THR HB 1 86 GLY HA2 2.650 . 3.500 2.798 2.533 3.000 . 0 0 "[ . 1 . 2]" 4
580 1 13 THR HB 1 26 MET H 3.150 . 4.500 3.614 3.401 3.769 . 0 0 "[ . 1 . 2]" 4
581 1 13 THR HA 1 13 THR HB 2.650 . 3.500 3.044 3.033 3.056 . 0 0 "[ . 1 . 2]" 4
582 1 13 THR HB 1 26 MET HB3 2.650 . 3.500 2.295 2.003 2.656 . 0 0 "[ . 1 . 2]" 4
583 1 13 THR HB 1 13 THR MG 2.300 . 2.800 2.149 2.144 2.157 . 0 0 "[ . 1 . 2]" 4
584 1 22 THR HA 1 22 THR HB 2.650 . 3.500 3.024 2.986 3.044 . 0 0 "[ . 1 . 2]" 4
585 1 18 ILE HB 1 22 THR HB 2.650 . 3.500 2.411 2.032 2.821 . 0 0 "[ . 1 . 2]" 4
586 1 18 ILE HG13 1 22 THR HB 3.150 . 4.500 4.370 3.885 4.551 0.051 4 0 "[ . 1 . 2]" 4
587 1 120 THR HA 1 120 THR MG 2.650 . 3.500 2.334 2.248 2.416 . 0 0 "[ . 1 . 2]" 4
588 1 20 GLY HA2 1 62 THR HB 3.150 . 4.500 3.232 2.544 4.050 . 0 0 "[ . 1 . 2]" 4
589 1 33 THR HB 1 87 ARG HA 2.650 . 3.500 3.143 2.735 3.364 . 0 0 "[ . 1 . 2]" 4
590 1 62 THR HA 1 62 THR MG . . 2.800 2.402 2.343 2.471 . 0 0 "[ . 1 . 2]" 4
591 1 7 LEU MD2 1 120 THR HB 3.150 . 4.500 2.817 1.926 3.916 . 0 0 "[ . 1 . 2]" 4
592 1 98 MET QB 1 99 VAL HA 3.650 . 5.500 4.961 4.567 5.114 . 0 0 "[ . 1 . 2]" 4
593 1 139 ILE HA 1 139 ILE HB 2.650 . 3.500 2.446 2.403 2.489 . 0 0 "[ . 1 . 2]" 4
594 1 139 ILE HA 1 139 ILE HG13 3.150 . 4.500 3.509 2.261 3.755 . 0 0 "[ . 1 . 2]" 4
595 1 139 ILE HA 1 139 ILE MG 3.150 . 3.500 2.487 2.282 3.234 . 0 0 "[ . 1 . 2]" 4
596 1 139 ILE HA 1 139 ILE HG12 3.150 . 4.500 3.668 3.155 3.790 . 0 0 "[ . 1 . 2]" 4
597 1 104 VAL HA 1 104 VAL HB 2.650 . 3.500 3.036 3.024 3.053 . 0 0 "[ . 1 . 2]" 4
598 1 24 LYS HA 1 33 THR HA 2.650 . 3.500 2.043 1.886 2.221 . 0 0 "[ . 1 . 2]" 4
599 1 24 LYS HB2 1 33 THR HA 3.150 . 4.500 3.405 3.201 3.528 . 0 0 "[ . 1 . 2]" 4
600 1 15 ILE HA 1 15 ILE HG13 2.650 . 3.500 3.080 2.990 3.169 . 0 0 "[ . 1 . 2]" 4
601 1 66 VAL HA 1 66 VAL HB 2.300 . 2.800 2.477 2.440 2.519 . 0 0 "[ . 1 . 2]" 4
602 1 66 VAL HA 1 69 ALA MB 3.150 . 4.500 2.266 1.955 2.546 . 0 0 "[ . 1 . 2]" 4
603 1 128 SER HA 1 128 SER HB3 2.300 . 2.800 2.500 2.446 2.608 . 0 0 "[ . 1 . 2]" 4
604 1 128 SER HA 1 128 SER HB2 2.650 . 3.500 3.006 2.989 3.024 . 0 0 "[ . 1 . 2]" 4
605 1 128 SER HA 1 131 GLN HB3 3.150 . 3.500 2.994 2.464 3.617 0.117 11 0 "[ . 1 . 2]" 4
606 1 128 SER HA 1 131 GLN HB2 2.650 . 3.500 2.748 2.206 3.433 . 0 0 "[ . 1 . 2]" 4
607 1 4 THR HA 1 4 THR MG 2.650 . 3.500 2.550 2.218 3.273 . 0 0 "[ . 1 . 2]" 4
608 1 18 ILE HA 1 18 ILE HG12 2.650 . 3.500 2.973 2.434 3.196 . 0 0 "[ . 1 . 2]" 4
609 1 18 ILE HA 1 18 ILE MG 2.650 . 3.500 2.453 2.375 2.509 . 0 0 "[ . 1 . 2]" 4
610 1 125 LEU HA 1 128 SER HB2 2.650 . 3.500 2.448 2.101 2.720 . 0 0 "[ . 1 . 2]" 4
611 1 104 VAL HB 1 128 SER HB2 2.650 . 3.500 2.841 2.559 3.401 . 0 0 "[ . 1 . 2]" 4
612 1 59 SER HA 1 59 SER QB 2.300 . 2.800 2.309 2.170 2.396 . 0 0 "[ . 1 . 2]" 4
613 1 122 GLU HA 1 122 GLU QG 2.650 . 3.500 2.989 2.452 3.520 0.020 14 0 "[ . 1 . 2]" 4
614 1 38 LEU HB2 1 122 GLU HA 3.150 . 4.500 4.466 3.683 4.563 0.063 9 0 "[ . 1 . 2]" 4
615 1 13 THR HA 1 72 ILE HB 2.650 . 3.500 2.907 2.648 3.230 . 0 0 "[ . 1 . 2]" 4
616 1 13 THR HA 1 13 THR MG 2.650 . 3.500 2.381 2.318 2.448 . 0 0 "[ . 1 . 2]" 4
617 1 23 VAL HA 1 23 VAL HB 2.650 . 2.800 2.482 2.460 2.509 . 0 0 "[ . 1 . 2]" 4
618 1 74 VAL HA 1 92 ILE HA 3.150 . 4.500 2.346 2.237 2.476 . 0 0 "[ . 1 . 2]" 4
619 1 126 ARG HA 1 129 GLU HB3 2.650 . 3.500 2.680 2.269 3.341 . 0 0 "[ . 1 . 2]" 4
620 1 126 ARG HA 1 126 ARG HB2 2.650 . 3.500 2.923 2.567 3.047 . 0 0 "[ . 1 . 2]" 4
621 1 17 ALA MB 1 63 LYS HA 3.150 . 3.500 2.626 2.280 3.000 . 0 0 "[ . 1 . 2]" 4
622 1 63 LYS HA 1 66 VAL MG1 3.150 . 4.500 4.245 3.920 4.450 . 0 0 "[ . 1 . 2]" 4
623 1 101 GLU HA 1 125 LEU HA 3.150 . 4.500 3.680 3.465 4.056 . 0 0 "[ . 1 . 2]" 4
624 1 101 GLU HA 1 101 GLU HG3 2.650 . 3.500 2.909 2.502 3.531 0.031 3 0 "[ . 1 . 2]" 4
625 1 101 GLU HA 1 101 GLU HB3 2.650 . 3.500 3.017 2.999 3.031 . 0 0 "[ . 1 . 2]" 4
626 1 101 GLU HA 1 125 LEU MD2 2.650 . 3.500 2.044 1.958 2.168 . 0 0 "[ . 1 . 2]" 4
627 1 133 LYS HA 1 140 TRP HB3 2.650 . 3.500 2.500 2.081 2.841 . 0 0 "[ . 1 . 2]" 4
628 1 133 LYS HA 1 140 TRP HB2 2.650 . 3.500 3.184 2.688 3.421 . 0 0 "[ . 1 . 2]" 4
629 1 133 LYS HA 1 133 LYS HB3 2.650 . 3.500 2.535 2.464 2.568 . 0 0 "[ . 1 . 2]" 4
630 1 133 LYS HA 1 133 LYS HG2 2.650 . 3.500 2.539 2.451 2.660 . 0 0 "[ . 1 . 2]" 4
631 1 136 LYS HA 1 141 SER HA 3.150 . 4.500 3.674 2.992 4.124 . 0 0 "[ . 1 . 2]" 4
632 1 136 LYS HB3 1 141 SER HA 2.300 . 2.800 2.246 1.882 2.784 . 0 0 "[ . 1 . 2]" 4
633 1 136 LYS HB2 1 141 SER HA 3.150 . 4.500 3.733 3.250 4.511 0.011 4 0 "[ . 1 . 2]" 4
634 1 127 LYS HA 1 127 LYS QB 2.300 . 2.800 2.232 2.160 2.345 . 0 0 "[ . 1 . 2]" 4
635 1 127 LYS HA 1 127 LYS HG3 3.150 . 4.500 3.488 2.594 3.881 . 0 0 "[ . 1 . 2]" 4
636 1 127 LYS HA 1 130 ALA MB 2.650 . 3.500 2.716 2.433 2.940 . 0 0 "[ . 1 . 2]" 4
637 1 61 PHE HA 1 61 PHE HB3 2.650 . 3.500 3.017 3.002 3.024 . 0 0 "[ . 1 . 2]" 4
638 1 61 PHE HA 1 61 PHE HB2 2.650 . 3.500 2.504 2.434 2.568 . 0 0 "[ . 1 . 2]" 4
639 1 99 VAL HA 1 99 VAL MG1 3.150 . 4.500 2.403 2.320 2.464 . 0 0 "[ . 1 . 2]" 4
640 1 99 VAL HA 1 99 VAL MG2 3.150 . 4.500 2.429 2.369 2.491 . 0 0 "[ . 1 . 2]" 4
641 1 15 ILE HA 1 15 ILE HG12 2.650 . 3.500 2.560 2.484 2.654 . 0 0 "[ . 1 . 2]" 4
642 1 15 ILE HA 1 15 ILE MG 2.650 . 3.500 2.446 2.380 2.503 . 0 0 "[ . 1 . 2]" 4
643 1 136 LYS HB2 1 141 SER QB 3.150 . 4.500 4.442 3.514 4.601 0.101 7 0 "[ . 1 . 2]" 4
644 1 19 ASP HA 1 59 SER QB 3.150 . 4.500 2.490 2.101 3.087 . 0 0 "[ . 1 . 2]" 4
645 1 74 VAL HA 1 92 ILE HG13 3.150 . 4.500 4.034 3.856 4.194 . 0 0 "[ . 1 . 2]" 4
646 1 63 LYS HA 1 63 LYS HG3 2.650 . 3.500 2.614 2.518 2.785 . 0 0 "[ . 1 . 2]" 4
647 1 101 GLU HA 1 101 GLU HB2 2.650 . 3.500 2.485 2.419 2.524 . 0 0 "[ . 1 . 2]" 4
648 1 127 LYS HA 1 127 LYS HD2 3.150 . 4.500 4.261 3.612 4.587 0.087 4 0 "[ . 1 . 2]" 4
649 1 61 PHE HA 1 64 LYS H 3.150 . 4.500 3.685 3.337 4.021 . 0 0 "[ . 1 . 2]" 4
650 1 64 LYS HA 1 66 VAL H 3.150 . 4.500 4.508 4.345 4.613 0.113 11 0 "[ . 1 . 2]" 4
651 1 64 LYS HA 1 65 MET H 2.650 . 3.500 3.520 3.474 3.541 0.041 19 0 "[ . 1 . 2]" 4
652 1 123 GLN HA 1 126 ARG HD3 3.150 . 4.500 3.833 3.062 4.437 . 0 0 "[ . 1 . 2]" 4
653 1 67 GLU HA 1 67 GLU HG3 2.650 . 3.500 3.128 3.057 3.194 . 0 0 "[ . 1 . 2]" 4
654 1 65 MET H 1 65 MET HA 2.650 . 3.500 2.852 2.833 2.881 . 0 0 "[ . 1 . 2]" 4
655 1 65 MET HA 1 65 MET HG3 3.150 . 4.500 3.777 3.706 3.860 . 0 0 "[ . 1 . 2]" 4
656 1 131 GLN HA 1 131 GLN QG 2.650 . 2.800 2.461 2.242 2.667 . 0 0 "[ . 1 . 2]" 4
657 1 131 GLN HA 1 131 GLN HB3 2.650 . 3.500 2.956 2.678 3.024 . 0 0 "[ . 1 . 2]" 4
658 1 125 LEU HA 1 125 LEU MD2 2.650 . 3.500 2.011 1.916 2.075 . 0 0 "[ . 1 . 2]" 4
659 1 124 LEU HA 1 127 LYS QB 3.150 . 4.500 3.792 2.703 4.549 0.049 11 0 "[ . 1 . 2]" 4
660 1 124 LEU HA 1 124 LEU MD1 3.150 . 4.500 2.896 2.053 3.336 . 0 0 "[ . 1 . 2]" 4
661 1 81 ARG HA 1 81 ARG HB2 2.300 . 2.800 2.459 2.377 2.629 . 0 0 "[ . 1 . 2]" 4
662 1 81 ARG HA 1 81 ARG HG2 2.650 . 3.500 3.305 3.134 3.579 0.079 5 0 "[ . 1 . 2]" 4
663 1 76 PHE QD 1 81 ARG HA 3.150 . 4.500 2.753 2.387 3.096 . 0 0 "[ . 1 . 2]" 4
664 1 70 LYS HA 1 70 LYS HB3 2.650 . 2.800 2.480 2.373 2.584 . 0 0 "[ . 1 . 2]" 4
665 1 70 LYS HA 1 70 LYS HB2 2.650 . 3.500 3.009 2.992 3.022 . 0 0 "[ . 1 . 2]" 4
666 1 70 LYS HA 1 70 LYS QD . . 2.800 2.046 1.927 2.202 . 0 0 "[ . 1 . 2]" 4
667 1 70 LYS HA 1 70 LYS HG2 2.650 . 3.500 3.092 2.864 3.450 . 0 0 "[ . 1 . 2]" 4
668 1 72 ILE HA 1 94 ALA HA 2.650 . 3.500 2.753 2.641 2.942 . 0 0 "[ . 1 . 2]" 4
669 1 72 ILE HA 1 72 ILE HG13 3.150 . 4.500 3.116 3.035 3.175 . 0 0 "[ . 1 . 2]" 4
670 1 72 ILE HA 1 72 ILE HG12 2.650 . 3.500 2.478 2.412 2.542 . 0 0 "[ . 1 . 2]" 4
671 1 92 ILE HA 1 93 TYR HA 3.150 . 4.500 4.338 4.275 4.402 . 0 0 "[ . 1 . 2]" 4
672 1 92 ILE HA 1 92 ILE HG12 3.150 . 4.500 2.442 2.385 2.501 . 0 0 "[ . 1 . 2]" 4
673 1 82 THR HA 1 89 LEU HG 2.650 . 3.500 2.617 2.383 2.972 . 0 0 "[ . 1 . 2]" 4
674 1 82 THR HA 1 82 THR MG 2.650 . 3.500 2.311 2.258 2.371 . 0 0 "[ . 1 . 2]" 4
675 1 27 TYR HA 1 27 TYR QD 2.650 . 3.500 2.481 2.345 2.666 . 0 0 "[ . 1 . 2]" 4
676 1 93 TYR HA 1 98 MET HA 2.650 . 3.500 2.205 2.033 2.745 . 0 0 "[ . 1 . 2]" 4
677 1 27 TYR HA 1 27 TYR HB3 2.650 . 3.500 3.022 3.014 3.031 . 0 0 "[ . 1 . 2]" 4
678 1 27 TYR HA 1 27 TYR HB2 2.300 . 2.800 2.428 2.383 2.467 . 0 0 "[ . 1 . 2]" 4
679 1 12 ALA MB 1 27 TYR HA 3.150 . 4.500 3.181 2.779 3.661 . 0 0 "[ . 1 . 2]" 4
680 1 9 LYS HA 1 75 GLU HA 2.650 . 3.500 2.157 2.032 2.347 . 0 0 "[ . 1 . 2]" 4
681 1 9 LYS HA 1 10 GLU HA 3.150 . 4.500 4.373 4.318 4.479 . 0 0 "[ . 1 . 2]" 4
682 1 8 HIS HA 1 9 LYS HA 3.150 . 4.500 4.349 4.290 4.421 . 0 0 "[ . 1 . 2]" 4
683 1 9 LYS HA 1 9 LYS HB3 2.650 . 3.500 2.584 2.430 2.737 . 0 0 "[ . 1 . 2]" 4
684 1 9 LYS HA 1 9 LYS HB2 2.650 . 3.500 2.966 2.914 2.986 . 0 0 "[ . 1 . 2]" 4
685 1 9 LYS HA 1 9 LYS HG3 2.650 . 3.500 2.386 2.210 2.767 . 0 0 "[ . 1 . 2]" 4
686 1 9 LYS HA 1 9 LYS HG2 2.650 . 3.500 3.245 2.458 3.551 0.051 7 0 "[ . 1 . 2]" 4
687 1 24 LYS HA 1 24 LYS QG 3.150 . 4.500 2.334 2.276 2.387 . 0 0 "[ . 1 . 2]" 4
688 1 100 ASN HA 1 100 ASN HB3 2.650 . 3.500 2.461 2.315 3.019 . 0 0 "[ . 1 . 2]" 4
689 1 100 ASN HA 1 100 ASN HB2 2.650 . 3.500 2.896 2.472 3.040 . 0 0 "[ . 1 . 2]" 4
690 1 148 GLY QA 1 149 GLN HA 3.150 . 4.500 3.951 3.869 4.092 . 0 0 "[ . 1 . 2]" 4
691 1 79 GLY HA2 1 80 GLN HA 3.150 . 4.500 4.406 4.264 4.598 0.098 9 0 "[ . 1 . 2]" 4
692 1 138 ASN HA 1 138 ASN HB3 2.650 . 3.500 2.450 2.377 2.502 . 0 0 "[ . 1 . 2]" 4
693 1 98 MET HA 1 98 MET QG 3.150 . 4.500 2.700 2.337 3.555 . 0 0 "[ . 1 . 2]" 4
694 1 138 ASN HA 1 138 ASN HB2 2.650 . 3.500 2.834 2.403 3.018 . 0 0 "[ . 1 . 2]" 4
695 1 103 LEU HA 1 103 LEU HG 3.150 . 4.500 3.214 2.301 3.329 . 0 0 "[ . 1 . 2]" 4
696 1 103 LEU HA 1 103 LEU HB2 2.650 . 3.500 3.015 2.986 3.024 . 0 0 "[ . 1 . 2]" 4
697 1 103 LEU HA 1 103 LEU MD1 3.150 . 4.500 3.793 2.725 3.882 . 0 0 "[ . 1 . 2]" 4
698 1 28 LYS HA 1 28 LYS HB3 2.300 . 2.800 2.490 2.449 2.562 . 0 0 "[ . 1 . 2]" 4
699 1 28 LYS HA 1 28 LYS QD 3.150 . 4.500 4.001 3.920 4.222 . 0 0 "[ . 1 . 2]" 4
700 1 28 LYS HA 1 28 LYS HB2 2.650 . 3.500 3.024 3.012 3.034 . 0 0 "[ . 1 . 2]" 4
701 1 28 LYS HA 1 28 LYS HG3 2.650 . 3.500 3.114 3.005 3.241 . 0 0 "[ . 1 . 2]" 4
702 1 28 LYS HA 1 28 LYS HG2 2.650 . 2.800 2.505 2.408 2.587 . 0 0 "[ . 1 . 2]" 4
703 1 136 LYS HA 1 140 TRP HB3 2.650 . 3.500 2.857 2.506 3.390 . 0 0 "[ . 1 . 2]" 4
704 1 133 LYS HA 1 136 LYS HA 3.150 . 4.500 3.685 3.259 4.073 . 0 0 "[ . 1 . 2]" 4
705 1 136 LYS HA 1 140 TRP HB2 2.650 . 3.500 2.448 2.148 3.000 . 0 0 "[ . 1 . 2]" 4
706 1 136 LYS HA 1 136 LYS HB3 2.650 . 3.500 2.446 2.347 2.572 . 0 0 "[ . 1 . 2]" 4
707 1 136 LYS HA 1 136 LYS HB2 2.650 . 3.500 3.032 3.008 3.048 . 0 0 "[ . 1 . 2]" 4
708 1 136 LYS HA 1 136 LYS QG 2.650 . 3.500 2.441 2.316 2.594 . 0 0 "[ . 1 . 2]" 4
709 1 132 ALA HA 1 133 LYS H 2.650 . 3.500 3.510 3.489 3.525 0.025 15 0 "[ . 1 . 2]" 4
710 1 132 ALA H 1 132 ALA HA 2.650 . 3.500 2.804 2.777 2.820 . 0 0 "[ . 1 . 2]" 4
711 1 107 GLY HA3 1 132 ALA HA 3.150 . 4.500 4.402 4.087 4.576 0.076 20 0 "[ . 1 . 2]" 4
712 1 116 LYS HA 1 117 PRO HA 2.300 . 2.800 2.441 2.121 2.606 . 0 0 "[ . 1 . 2]" 4
713 1 116 LYS HA 1 118 ASN HB2 3.150 . 4.500 4.089 3.452 4.539 0.039 13 0 "[ . 1 . 2]" 4
714 1 116 LYS HA 1 116 LYS HG3 2.300 . 2.800 2.808 2.538 2.845 0.045 2 0 "[ . 1 . 2]" 4
715 1 116 LYS HA 1 116 LYS HG2 2.650 . 2.800 2.536 2.328 2.905 0.105 13 0 "[ . 1 . 2]" 4
716 1 132 ALA HA 1 137 LEU MD1 3.150 . 4.500 2.841 1.912 4.509 0.009 20 0 "[ . 1 . 2]" 4
717 1 58 ALA HA 1 61 PHE HB2 3.150 . 4.500 3.330 2.965 3.875 . 0 0 "[ . 1 . 2]" 4
718 1 58 ALA HA 1 108 LEU HB2 2.650 . 3.500 3.518 3.459 3.561 0.061 1 0 "[ . 1 . 2]" 4
719 1 137 LEU HA 1 137 LEU HG 3.150 . 4.500 3.260 2.777 3.755 . 0 0 "[ . 1 . 2]" 4
720 1 137 LEU HA 1 137 LEU HB2 2.650 . 3.500 2.992 2.965 3.022 . 0 0 "[ . 1 . 2]" 4
721 1 137 LEU HA 1 137 LEU MD2 2.650 . 3.500 2.206 1.939 2.670 . 0 0 "[ . 1 . 2]" 4
722 1 130 ALA HA 1 130 ALA MB 2.300 . 2.800 2.136 2.129 2.143 . 0 0 "[ . 1 . 2]" 4
723 1 130 ALA HA 1 133 LYS HD3 3.150 . 4.500 3.839 3.461 4.228 . 0 0 "[ . 1 . 2]" 4
724 1 130 ALA HA 1 133 LYS HD2 2.650 . 3.500 2.387 2.053 2.664 . 0 0 "[ . 1 . 2]" 4
725 1 130 ALA HA 1 133 LYS HB2 2.650 . 3.500 2.535 2.325 2.747 . 0 0 "[ . 1 . 2]" 4
726 1 95 ASP HA 1 95 ASP HB2 2.300 . 2.800 2.572 2.411 2.680 . 0 0 "[ . 1 . 2]" 4
727 1 95 ASP HA 1 95 ASP HB3 2.650 . 3.500 2.919 2.348 3.039 . 0 0 "[ . 1 . 2]" 4
728 1 142 GLU HA 1 142 GLU HG2 2.650 . 3.500 2.879 2.416 3.572 0.072 11 0 "[ . 1 . 2]" 4
729 1 142 GLU HA 1 142 GLU HB3 2.300 . 2.800 2.458 2.320 2.596 . 0 0 "[ . 1 . 2]" 4
730 1 16 LYS HA 1 16 LYS HB3 2.650 . 2.800 2.577 2.335 2.925 0.125 13 0 "[ . 1 . 2]" 4
731 1 32 MET HA 1 32 MET HG3 2.650 . 2.800 2.401 2.282 2.672 . 0 0 "[ . 1 . 2]" 4
732 1 71 LYS HA 1 71 LYS HB3 2.300 . 2.800 2.401 2.306 2.453 . 0 0 "[ . 1 . 2]" 4
733 1 71 LYS HA 1 71 LYS HG2 3.150 . 4.500 3.823 3.662 3.961 . 0 0 "[ . 1 . 2]" 4
734 1 8 HIS HA 1 8 HIS HB3 2.300 . 2.800 2.461 2.413 2.504 . 0 0 "[ . 1 . 2]" 4
735 1 8 HIS HA 1 8 HIS HB2 2.300 . 2.800 2.451 2.392 2.498 . 0 0 "[ . 1 . 2]" 4
736 1 140 TRP HA 1 140 TRP HE3 2.300 . 2.800 2.467 2.128 2.692 . 0 0 "[ . 1 . 2]" 4
737 1 115 TYR HA 1 115 TYR QD 2.650 . 3.500 2.708 2.268 2.979 . 0 0 "[ . 1 . 2]" 4
738 1 115 TYR HA 1 115 TYR QB 2.650 . 3.500 2.374 2.318 2.418 . 0 0 "[ . 1 . 2]" 4
739 1 26 MET HA 1 26 MET HG3 2.650 . 3.500 2.536 2.436 2.662 . 0 0 "[ . 1 . 2]" 4
740 1 26 MET HA 1 26 MET HG2 2.650 . 3.500 3.094 2.996 3.170 . 0 0 "[ . 1 . 2]" 4
741 1 26 MET HA 1 26 MET HB2 2.650 . 3.500 2.527 2.452 2.605 . 0 0 "[ . 1 . 2]" 4
742 1 15 ILE MD 1 26 MET HA 3.150 . 4.500 2.618 2.477 2.813 . 0 0 "[ . 1 . 2]" 4
743 1 121 HIS HA 1 121 HIS HB3 2.300 . 2.800 2.510 2.409 2.619 . 0 0 "[ . 1 . 2]" 4
744 1 121 HIS HA 1 121 HIS HB2 2.650 . 3.500 3.028 3.005 3.057 . 0 0 "[ . 1 . 2]" 4
745 1 121 HIS HA 1 124 LEU HB2 2.650 . 3.500 3.317 2.796 3.552 0.052 16 0 "[ . 1 . 2]" 4
746 1 11 PRO HA 1 73 GLU HA 2.650 . 2.800 2.729 2.257 2.851 0.051 9 0 "[ . 1 . 2]" 4
747 1 73 GLU HA 1 73 GLU HG2 2.300 . 2.800 2.659 2.512 2.798 . 0 0 "[ . 1 . 2]" 4
748 1 73 GLU HA 1 73 GLU HB2 2.650 . 3.500 3.027 3.005 3.053 . 0 0 "[ . 1 . 2]" 4
749 1 110 LYS HA 1 129 GLU HG3 3.150 . 4.500 3.166 2.699 3.427 . 0 0 "[ . 1 . 2]" 4
750 1 110 LYS HA 1 110 LYS QB 2.300 . 2.800 2.341 2.258 2.409 . 0 0 "[ . 1 . 2]" 4
751 1 110 LYS HA 1 110 LYS HG3 2.650 . 3.500 3.038 2.347 3.321 . 0 0 "[ . 1 . 2]" 4
752 1 110 LYS HA 1 110 LYS HG2 2.650 . 3.500 2.924 2.613 3.632 0.132 6 0 "[ . 1 . 2]" 4
753 1 10 GLU HA 1 11 PRO QD 2.300 . 2.800 2.095 2.014 2.190 . 0 0 "[ . 1 . 2]" 4
754 1 10 GLU HA 1 10 GLU HB2 2.650 . 3.500 3.031 3.013 3.040 . 0 0 "[ . 1 . 2]" 4
755 1 89 LEU HA 1 89 LEU HB2 2.650 . 3.500 3.023 3.005 3.066 . 0 0 "[ . 1 . 2]" 4
756 1 140 TRP HA 1 140 TRP HB3 2.650 . 3.500 2.447 2.420 2.470 . 0 0 "[ . 1 . 2]" 4
757 1 7 LEU HA 1 7 LEU MD1 3.150 . 4.500 3.490 1.943 4.090 . 0 0 "[ . 1 . 2]" 4
758 1 97 LYS HA 1 97 LYS HB3 2.650 . 3.500 2.501 2.417 2.646 . 0 0 "[ . 1 . 2]" 4
759 1 67 GLU HB3 1 68 ASN HA 3.150 . 4.500 4.443 4.338 4.532 0.032 3 0 "[ . 1 . 2]" 4
760 1 106 GLN HA 1 106 GLN HG3 3.150 . 4.500 3.017 2.814 3.125 . 0 0 "[ . 1 . 2]" 4
761 1 106 GLN HA 1 106 GLN HG2 3.150 . 4.500 3.759 3.711 3.808 . 0 0 "[ . 1 . 2]" 4
762 1 106 GLN HA 1 106 GLN HB2 2.300 . 2.800 2.510 2.479 2.550 . 0 0 "[ . 1 . 2]" 4
763 1 106 GLN HA 1 137 LEU MD1 2.650 . 3.500 2.410 1.894 3.210 . 0 0 "[ . 1 . 2]" 4
764 1 118 ASN HA 1 118 ASN HB3 2.300 . 2.800 2.550 2.490 2.874 0.074 13 0 "[ . 1 . 2]" 4
765 1 7 LEU MD1 1 77 ASP HA 2.650 . 3.500 2.853 1.890 3.674 0.174 4 0 "[ . 1 . 2]" 4
766 1 30 GLN HA 1 31 PRO QD 2.300 . 2.800 2.008 1.939 2.065 . 0 0 "[ . 1 . 2]" 4
767 1 30 GLN HA 1 30 GLN QG 2.650 . 3.500 3.402 3.323 3.507 0.007 14 0 "[ . 1 . 2]" 4
768 1 38 LEU MD1 1 119 ASN HA 2.650 . 3.500 2.336 1.932 3.128 . 0 0 "[ . 1 . 2]" 4
769 1 12 ALA HA 1 12 ALA MB 2.300 . 2.800 2.128 2.119 2.134 . 0 0 "[ . 1 . 2]" 4
770 1 73 GLU H 1 94 ALA HA 3.150 . 4.500 3.898 3.662 4.080 . 0 0 "[ . 1 . 2]" 4
771 1 72 ILE HG13 1 94 ALA HA 3.150 . 4.500 4.413 4.150 4.526 0.026 19 0 "[ . 1 . 2]" 4
772 1 69 ALA MB 1 94 ALA HA 3.150 . 4.500 2.567 2.290 2.716 . 0 0 "[ . 1 . 2]" 4
773 1 17 ALA HA 1 23 VAL HA 2.300 . 2.800 2.526 2.149 2.818 0.018 17 0 "[ . 1 . 2]" 4
774 1 17 ALA HA 1 23 VAL HB 2.650 . 3.500 2.915 2.679 3.219 . 0 0 "[ . 1 . 2]" 4
775 1 17 ALA HA 1 23 VAL MG1 2.650 . 3.500 2.281 2.111 2.392 . 0 0 "[ . 1 . 2]" 4
776 1 83 ASP HA 1 83 ASP HB2 2.300 . 2.800 2.428 2.296 2.630 . 0 0 "[ . 1 . 2]" 4
777 1 83 ASP HA 1 89 LEU HG 3.150 . 4.500 3.445 2.449 4.057 . 0 0 "[ . 1 . 2]" 4
778 1 83 ASP HA 1 89 LEU MD2 3.150 . 4.500 3.278 2.286 4.050 . 0 0 "[ . 1 . 2]" 4
779 1 68 ASN HB3 1 69 ALA HA 3.150 . 4.500 4.482 4.333 4.549 0.049 6 0 "[ . 1 . 2]" 4
780 1 69 ALA HA 1 70 LYS HG2 3.150 . 4.500 3.876 3.529 4.170 . 0 0 "[ . 1 . 2]" 4
781 1 69 ALA HA 1 69 ALA MB 2.300 . 2.800 2.113 2.102 2.123 . 0 0 "[ . 1 . 2]" 4
782 1 31 PRO HA 1 31 PRO QD 3.150 . 4.500 3.392 3.256 3.478 . 0 0 "[ . 1 . 2]" 4
783 1 31 PRO QD 1 31 PRO HG2 2.300 . 2.800 2.215 2.168 2.245 . 0 0 "[ . 1 . 2]" 4
784 1 11 PRO HB3 1 11 PRO QD 2.650 . 3.500 2.900 2.839 2.998 . 0 0 "[ . 1 . 2]" 4
785 1 79 GLY HA2 1 117 PRO QD 3.150 . 4.500 3.334 2.681 4.550 0.050 13 0 "[ . 1 . 2]" 4
786 1 117 PRO QD 1 117 PRO HG3 2.650 . 3.500 2.217 2.181 2.269 . 0 0 "[ . 1 . 2]" 4
787 1 117 PRO QD 1 117 PRO HG2 2.650 . 3.500 2.182 2.077 2.233 . 0 0 "[ . 1 . 2]" 4
788 1 103 LEU HB2 1 109 ALA MB 3.150 . 4.500 2.568 2.372 2.826 . 0 0 "[ . 1 . 2]" 4
789 1 79 GLY HA2 1 117 PRO HG3 3.150 . 4.500 3.931 3.246 4.582 0.082 13 0 "[ . 1 . 2]" 4
790 1 79 GLY HA3 1 117 PRO HG3 3.150 . 4.500 4.057 3.267 4.460 . 0 0 "[ . 1 . 2]" 4
791 1 79 GLY HA2 1 117 PRO HG2 3.150 . 4.500 2.423 1.943 3.196 . 0 0 "[ . 1 . 2]" 4
792 1 40 ASP HA 1 40 ASP HB2 . . 2.800 2.476 2.360 2.581 . 0 0 "[ . 1 . 2]" 4
793 1 14 LEU HB3 1 14 LEU HG 2.650 . 3.500 2.553 2.446 2.583 . 0 0 "[ . 1 . 2]" 4
794 1 77 ASP HB3 1 118 ASN HA 2.650 . 3.500 2.721 2.333 3.702 0.202 9 0 "[ . 1 . 2]" 4
795 1 77 ASP HA 1 77 ASP HB2 2.650 . 3.500 2.607 2.445 2.653 . 0 0 "[ . 1 . 2]" 4
796 1 81 ARG HB2 1 81 ARG HD3 2.300 . 2.800 2.363 2.296 2.835 0.035 5 0 "[ . 1 . 2]" 4
797 1 81 ARG HB2 1 81 ARG HD2 2.650 . 3.500 3.498 2.440 3.576 0.076 8 0 "[ . 1 . 2]" 4
798 1 81 ARG HD3 1 81 ARG HG2 2.650 . 3.500 2.979 2.541 3.020 . 0 0 "[ . 1 . 2]" 4
799 1 81 ARG HD2 1 81 ARG HG2 2.650 . 3.500 2.470 2.402 2.982 . 0 0 "[ . 1 . 2]" 4
800 1 126 ARG HB2 1 126 ARG HD2 2.300 . 2.800 2.404 2.170 2.743 . 0 0 "[ . 1 . 2]" 4
801 1 126 ARG HB2 1 126 ARG HD3 2.300 . 2.800 2.808 2.605 2.869 0.069 9 0 "[ . 1 . 2]" 4
802 1 110 LYS QB 1 110 LYS HE3 3.150 . 4.500 3.805 2.061 4.384 . 0 0 "[ . 1 . 2]" 4
803 1 110 LYS QD 1 110 LYS HE3 2.300 . 2.800 2.320 2.154 2.395 . 0 0 "[ . 1 . 2]" 4
804 1 110 LYS QD 1 110 LYS HE2 2.650 . 3.500 2.309 2.113 2.379 . 0 0 "[ . 1 . 2]" 4
805 1 110 LYS HE3 1 110 LYS HG2 2.650 . 3.500 3.118 2.462 3.582 0.082 6 0 "[ . 1 . 2]" 4
806 1 27 TYR HB3 1 27 TYR QD 3.150 . 3.500 2.276 2.232 2.327 . 0 0 "[ . 1 . 2]" 4
807 1 24 LYS QE 1 24 LYS QG 2.300 . 2.800 2.308 2.119 2.438 . 0 0 "[ . 1 . 2]" 4
808 1 71 LYS QE 1 71 LYS HG2 2.650 . 3.500 2.669 2.377 3.498 . 0 0 "[ . 1 . 2]" 4
809 1 93 TYR HB2 1 93 TYR QD 3.150 . 3.500 2.536 2.478 2.631 . 0 0 "[ . 1 . 2]" 4
810 1 124 LEU HB3 1 124 LEU HG 2.650 . 3.500 2.465 2.418 2.524 . 0 0 "[ . 1 . 2]" 4
811 1 7 LEU HA 1 7 LEU QB . . 2.800 2.289 2.124 2.495 . 0 0 "[ . 1 . 2]" 4
812 1 7 LEU QB 1 75 GLU HG3 3.150 . 4.500 2.946 2.515 4.076 . 0 0 "[ . 1 . 2]" 4
813 1 9 LYS HD3 1 9 LYS HE3 2.650 . 3.500 2.768 2.329 3.037 . 0 0 "[ . 1 . 2]" 4
814 1 9 LYS HD3 1 9 LYS HE2 2.650 . 3.500 2.658 2.372 3.036 . 0 0 "[ . 1 . 2]" 4
815 1 9 LYS HD2 1 9 LYS HE3 2.300 . 2.800 2.474 2.357 2.936 0.136 3 0 "[ . 1 . 2]" 4
816 1 9 LYS HD2 1 9 LYS HE2 2.650 . 3.500 2.761 2.341 3.029 . 0 0 "[ . 1 . 2]" 4
817 1 9 LYS HE3 1 9 LYS HG2 3.150 . 4.500 3.121 2.416 3.706 . 0 0 "[ . 1 . 2]" 4
818 1 9 LYS HE2 1 9 LYS HG2 3.150 . 4.500 2.935 2.423 3.717 . 0 0 "[ . 1 . 2]" 4
819 1 144 ASN HA 1 144 ASN HB3 2.650 . 3.500 2.663 2.387 3.040 . 0 0 "[ . 1 . 2]" 4
820 1 76 PHE HB3 1 81 ARG HD3 3.150 . 4.500 4.328 2.234 4.558 0.058 20 0 "[ . 1 . 2]" 4
821 1 119 ASN HA 1 119 ASN HB3 2.650 . 2.800 2.508 2.385 2.946 0.146 3 0 "[ . 1 . 2]" 4
822 1 119 ASN HA 1 119 ASN HB2 2.650 . 2.800 2.412 2.287 2.491 . 0 0 "[ . 1 . 2]" 4
823 1 72 ILE MD 1 94 ALA HA 3.150 . 4.500 4.303 4.050 4.514 0.014 19 0 "[ . 1 . 2]" 4
824 1 66 VAL HB 1 72 ILE MD 2.650 . 2.800 2.128 1.881 2.625 . 0 0 "[ . 1 . 2]" 4
825 1 69 ALA MB 1 72 ILE MD 3.150 . 4.500 2.879 2.633 3.052 . 0 0 "[ . 1 . 2]" 4
826 1 18 ILE HA 1 18 ILE MD 3.150 . 4.500 2.523 2.026 3.836 . 0 0 "[ . 1 . 2]" 4
827 1 18 ILE HB 1 18 ILE MD 3.150 . 4.500 3.062 2.442 3.262 . 0 0 "[ . 1 . 2]" 4
828 1 18 ILE MD 1 18 ILE HG12 2.300 . 2.800 2.119 2.106 2.126 . 0 0 "[ . 1 . 2]" 4
829 1 139 ILE MD 1 139 ILE MG 3.150 . 4.500 1.942 1.876 2.081 . 0 0 "[ . 1 . 2]" 4
830 1 139 ILE HG13 1 139 ILE MG 3.150 . 4.500 3.202 3.137 3.220 . 0 0 "[ . 1 . 2]" 4
831 1 18 ILE HG13 1 18 ILE MG 3.150 . 4.500 2.546 2.301 3.207 . 0 0 "[ . 1 . 2]" 4
832 1 72 ILE HG12 1 72 ILE MG 2.650 . 3.500 2.453 2.396 2.514 . 0 0 "[ . 1 . 2]" 4
833 1 72 ILE MD 1 72 ILE MG 3.150 . 3.500 1.919 1.841 1.964 . 0 0 "[ . 1 . 2]" 4
834 1 92 ILE HA 1 92 ILE MG 3.150 . 4.500 2.430 2.403 2.454 . 0 0 "[ . 1 . 2]" 4
835 1 10 GLU HB2 1 74 VAL MG1 3.150 . 4.500 4.402 4.239 4.555 0.055 13 0 "[ . 1 . 2]" 4
836 1 133 LYS HD3 1 133 LYS HG3 2.650 . 3.500 3.014 2.987 3.027 . 0 0 "[ . 1 . 2]" 4
837 1 133 LYS HD3 1 133 LYS HG2 2.650 . 3.500 2.507 2.439 2.602 . 0 0 "[ . 1 . 2]" 4
838 1 132 ALA MB 1 140 TRP HD1 2.650 . 3.500 2.138 2.026 2.264 . 0 0 "[ . 1 . 2]" 4
839 1 58 ALA MB 1 109 ALA HA 3.150 . 4.500 4.263 3.842 4.556 0.056 15 0 "[ . 1 . 2]" 4
840 1 58 ALA MB 1 108 LEU HB3 2.300 . 2.800 2.242 1.865 2.651 . 0 0 "[ . 1 . 2]" 4
841 1 66 VAL MG1 1 99 VAL HB 3.150 . 4.500 4.111 3.782 4.510 0.010 1 0 "[ . 1 . 2]" 4
842 1 66 VAL MG1 1 66 VAL MG2 2.650 . 3.500 2.072 2.051 2.084 . 0 0 "[ . 1 . 2]" 4
843 1 66 VAL HB 1 94 ALA MB 3.150 . 4.500 3.771 3.395 4.201 . 0 0 "[ . 1 . 2]" 4
844 1 69 ALA MB 1 94 ALA MB 3.150 . 4.500 1.938 1.852 2.083 . 0 0 "[ . 1 . 2]" 4
845 1 38 LEU MD2 1 125 LEU MD1 3.150 . 4.500 3.135 2.002 3.859 . 0 0 "[ . 1 . 2]" 4
846 1 39 VAL HB 1 109 ALA MB 2.650 . 3.500 2.269 1.938 3.119 . 0 0 "[ . 1 . 2]" 4
847 1 103 LEU HB3 1 109 ALA MB 3.150 . 4.500 2.101 1.998 2.206 . 0 0 "[ . 1 . 2]" 4
848 1 38 LEU MD1 1 114 VAL HA 2.650 . 3.500 2.870 1.966 3.532 0.032 12 0 "[ . 1 . 2]" 4
849 1 137 LEU HB3 1 137 LEU MD1 3.150 . 4.500 2.392 2.320 2.486 . 0 0 "[ . 1 . 2]" 4
850 1 72 ILE HG12 1 94 ALA HA 3.150 . 4.500 2.932 2.651 3.117 . 0 0 "[ . 1 . 2]" 4
851 1 69 ALA MB 1 72 ILE HG12 3.150 . 4.500 2.374 2.101 2.583 . 0 0 "[ . 1 . 2]" 4
852 1 34 PHE QD 1 90 ALA MB 2.650 . 3.500 2.229 1.976 2.530 . 0 0 "[ . 1 . 2]" 4
853 1 23 VAL MG1 1 62 THR HB 3.150 . 4.500 3.689 3.397 4.192 . 0 0 "[ . 1 . 2]" 4
854 1 114 VAL HA 1 114 VAL MG1 2.650 . 3.500 2.403 2.325 2.485 . 0 0 "[ . 1 . 2]" 4
855 1 108 LEU HA 1 108 LEU MD1 3.150 . 4.500 3.488 2.974 3.864 . 0 0 "[ . 1 . 2]" 4
856 1 61 PHE HB2 1 108 LEU MD1 3.150 . 4.500 3.363 2.298 4.346 . 0 0 "[ . 1 . 2]" 4
857 1 106 GLN HG2 1 108 LEU MD1 3.150 . 4.500 2.643 2.255 2.890 . 0 0 "[ . 1 . 2]" 4
858 1 14 LEU HA 1 14 LEU MD2 3.150 . 4.500 3.821 2.177 3.938 . 0 0 "[ . 1 . 2]" 4
859 1 28 LYS QE 1 28 LYS HG2 3.150 . 4.500 2.651 2.263 3.318 . 0 0 "[ . 1 . 2]" 4
860 1 30 GLN HA 1 31 PRO HG2 3.150 . 4.500 4.369 4.212 4.510 0.010 10 0 "[ . 1 . 2]" 4
861 1 31 PRO QD 1 31 PRO HG3 2.650 . 3.500 2.180 2.172 2.187 . 0 0 "[ . 1 . 2]" 4
862 1 15 ILE MD 1 31 PRO HG2 3.150 . 4.500 4.432 4.299 4.532 0.032 10 0 "[ . 1 . 2]" 4
863 1 133 LYS HA 1 133 LYS HB2 2.650 . 3.500 2.995 2.983 3.007 . 0 0 "[ . 1 . 2]" 4
864 1 133 LYS HB3 1 133 LYS HD3 2.650 . 3.500 2.451 2.354 2.539 . 0 0 "[ . 1 . 2]" 4
865 1 133 LYS HB2 1 133 LYS HD3 3.150 . 4.500 2.916 2.720 3.105 . 0 0 "[ . 1 . 2]" 4
866 1 133 LYS HB3 1 133 LYS HD2 3.150 . 4.500 3.149 2.844 3.288 . 0 0 "[ . 1 . 2]" 4
867 1 133 LYS HD2 1 133 LYS HG3 2.300 . 2.800 2.403 2.312 2.509 . 0 0 "[ . 1 . 2]" 4
868 1 133 LYS HD2 1 133 LYS HG2 2.650 . 3.500 3.018 2.997 3.042 . 0 0 "[ . 1 . 2]" 4
869 1 140 TRP HA 1 140 TRP HB2 2.650 . 3.500 3.033 3.019 3.060 . 0 0 "[ . 1 . 2]" 4
870 1 142 GLU HA 1 142 GLU HG3 3.150 . 4.500 3.213 2.374 4.267 . 0 0 "[ . 1 . 2]" 4
871 1 101 GLU HA 1 101 GLU HG2 2.300 . 2.800 2.657 2.273 2.889 0.089 13 0 "[ . 1 . 2]" 4
872 1 71 LYS HA 1 71 LYS HB2 2.300 . 2.800 2.491 2.415 2.598 . 0 0 "[ . 1 . 2]" 4
873 1 71 LYS HB2 1 95 ASP HA 3.150 . 4.500 4.421 3.985 4.608 0.108 1 0 "[ . 1 . 2]" 4
874 1 71 LYS HB2 1 71 LYS HG3 2.300 . 2.800 2.487 2.320 2.680 . 0 0 "[ . 1 . 2]" 4
875 1 71 LYS HB2 1 71 LYS HG2 2.650 . 3.500 2.941 2.495 3.028 . 0 0 "[ . 1 . 2]" 4
876 1 32 MET HB2 1 34 PHE QD 3.650 . 5.500 4.987 3.446 5.278 . 0 0 "[ . 1 . 2]" 4
877 1 32 MET HB3 1 34 PHE QD 3.150 . 4.500 3.447 2.730 3.743 . 0 0 "[ . 1 . 2]" 4
878 1 32 MET HA 1 32 MET HB3 2.650 . 3.500 2.996 2.656 3.026 . 0 0 "[ . 1 . 2]" 4
879 1 32 MET HA 1 32 MET HB2 2.650 . 3.500 2.507 2.429 2.956 . 0 0 "[ . 1 . 2]" 4
880 1 32 MET HB2 1 32 MET HG3 2.650 . 3.500 2.413 2.366 2.479 . 0 0 "[ . 1 . 2]" 4
881 1 125 LEU H 1 125 LEU HG 2.650 . 3.500 2.241 2.137 2.361 . 0 0 "[ . 1 . 2]" 4
882 1 110 LYS HE3 1 110 LYS HG3 3.150 . 4.500 2.819 2.294 3.816 . 0 0 "[ . 1 . 2]" 4
883 1 41 THR HA 1 41 THR HB 2.650 . 3.500 2.541 2.457 2.646 . 0 0 "[ . 1 . 2]" 4
884 1 117 PRO HA 1 117 PRO HG2 3.150 . 4.500 4.003 3.793 4.080 . 0 0 "[ . 1 . 2]" 4
885 1 116 LYS QB 1 117 PRO HA 2.650 . 3.500 2.141 1.918 3.289 . 0 0 "[ . 1 . 2]" 4
886 1 117 PRO HA 1 117 PRO HB3 2.650 . 3.500 2.261 2.235 2.315 . 0 0 "[ . 1 . 2]" 4
887 1 11 PRO HA 1 11 PRO HB2 2.300 . 2.800 2.720 2.689 2.752 . 0 0 "[ . 1 . 2]" 4
888 1 11 PRO HA 1 11 PRO HB3 2.300 . 2.800 2.300 2.286 2.314 . 0 0 "[ . 1 . 2]" 4
889 1 15 ILE HB 1 15 ILE MD 2.650 . 3.500 2.457 2.433 2.481 . 0 0 "[ . 1 . 2]" 4
890 1 15 ILE MD 1 24 LYS HB3 3.150 . 4.500 4.307 4.048 4.522 0.022 17 0 "[ . 1 . 2]" 4
891 1 10 GLU HA 1 10 GLU QG 2.650 . 3.500 2.995 2.402 3.104 . 0 0 "[ . 1 . 2]" 4
892 1 131 GLN HA 1 131 GLN HB2 2.300 . 2.800 2.641 2.471 2.881 0.081 17 0 "[ . 1 . 2]" 4
893 1 125 LEU MD1 1 125 LEU HG 2.300 . 2.800 2.117 2.103 2.130 . 0 0 "[ . 1 . 2]" 4
894 1 9 LYS HG2 1 73 GLU HB2 2.300 . 2.800 2.756 2.470 2.877 0.077 4 0 "[ . 1 . 2]" 4
895 1 101 GLU HG3 1 124 LEU MD2 2.650 . 3.500 3.340 2.352 3.561 0.061 17 0 "[ . 1 . 2]" 4
896 1 12 ALA MB 1 26 MET H 3.150 . 4.500 4.003 3.723 4.354 . 0 0 "[ . 1 . 2]" 4
897 1 18 ILE HA 1 18 ILE HB 2.650 . 3.500 3.030 3.007 3.039 . 0 0 "[ . 1 . 2]" 4
898 1 31 PRO HA 1 31 PRO HB2 2.300 . 2.800 2.734 2.683 2.780 . 0 0 "[ . 1 . 2]" 4
899 1 31 PRO HA 1 32 MET H 2.300 . 2.800 2.189 2.151 2.219 . 0 0 "[ . 1 . 2]" 4
900 1 15 ILE MD 1 31 PRO HA 2.650 . 3.500 2.362 2.131 2.684 . 0 0 "[ . 1 . 2]" 4
901 1 114 VAL HA 1 114 VAL MG2 3.150 . 3.500 2.386 2.326 2.434 . 0 0 "[ . 1 . 2]" 4
902 1 63 LYS H 1 63 LYS HA 2.650 . 3.500 2.763 2.747 2.787 . 0 0 "[ . 1 . 2]" 4
903 1 126 ARG HA 1 126 ARG QG 2.650 . 3.500 2.349 2.185 2.494 . 0 0 "[ . 1 . 2]" 4
904 1 65 MET HA 1 65 MET QB 2.300 . 2.800 2.198 2.137 2.358 . 0 0 "[ . 1 . 2]" 4
905 1 129 GLU HA 1 129 GLU HG3 2.650 . 3.500 2.558 2.392 2.664 . 0 0 "[ . 1 . 2]" 4
906 1 110 LYS HA 1 140 TRP HZ2 2.650 . 3.500 2.559 2.179 3.122 . 0 0 "[ . 1 . 2]" 4
907 1 30 GLN HA 1 30 GLN HB3 2.300 . 2.800 2.426 2.331 2.522 . 0 0 "[ . 1 . 2]" 4
908 1 116 LYS HA 1 116 LYS QB 2.300 . 2.800 2.415 2.373 2.493 . 0 0 "[ . 1 . 2]" 4
909 1 135 GLU HA 1 135 GLU HB3 2.300 . 2.800 2.450 2.412 2.494 . 0 0 "[ . 1 . 2]" 4
910 1 135 GLU HA 1 135 GLU HG2 2.300 . 2.800 2.549 2.377 2.836 0.036 10 0 "[ . 1 . 2]" 4
911 1 135 GLU HA 1 135 GLU HG3 2.650 . 3.500 3.302 3.150 3.609 0.109 10 0 "[ . 1 . 2]" 4
912 1 6 LYS HA 1 6 LYS HB3 2.300 . 2.800 2.530 2.346 2.929 0.129 7 0 "[ . 1 . 2]" 4
913 1 126 ARG HD2 1 126 ARG QG 2.650 . 3.500 2.291 2.211 2.457 . 0 0 "[ . 1 . 2]" 4
914 1 126 ARG HD3 1 126 ARG QG 2.650 . 3.500 2.357 2.221 2.480 . 0 0 "[ . 1 . 2]" 4
915 1 106 GLN HA 1 106 GLN HB3 2.650 . 3.500 3.016 2.993 3.033 . 0 0 "[ . 1 . 2]" 4
916 1 143 ASP HA 1 143 ASP HB3 2.650 . 3.500 3.000 2.456 3.060 . 0 0 "[ . 1 . 2]" 4
917 1 142 GLU HA 1 142 GLU HB2 2.650 . 3.500 2.985 2.573 3.025 . 0 0 "[ . 1 . 2]" 4
918 1 30 GLN HB2 1 31 PRO QD 2.650 . 3.500 2.615 2.269 3.211 . 0 0 "[ . 1 . 2]" 4
919 1 129 GLU HA 1 129 GLU HB3 2.650 . 3.500 3.031 3.004 3.053 . 0 0 "[ . 1 . 2]" 4
920 1 30 GLN HA 1 30 GLN HB2 2.300 . 2.800 2.489 2.432 2.562 . 0 0 "[ . 1 . 2]" 4
921 1 30 GLN HB3 1 30 GLN QG 2.300 . 2.800 2.299 2.155 2.443 . 0 0 "[ . 1 . 2]" 4
922 1 30 GLN HB2 1 30 GLN QG 2.300 . 2.800 2.351 2.131 2.422 . 0 0 "[ . 1 . 2]" 4
923 1 64 LYS H 1 64 LYS HB2 2.300 . 2.800 2.403 2.163 2.578 . 0 0 "[ . 1 . 2]" 4
924 1 31 PRO HA 1 31 PRO HB3 2.650 . 3.500 2.309 2.289 2.323 . 0 0 "[ . 1 . 2]" 4
925 1 32 MET HA 1 32 MET HG2 2.650 . 3.500 3.073 2.437 3.164 . 0 0 "[ . 1 . 2]" 4
926 1 5 LYS HA 1 5 LYS HB2 2.650 . 3.500 2.727 2.439 3.078 . 0 0 "[ . 1 . 2]" 4
927 1 24 LYS HB3 1 24 LYS QG 2.300 . 2.800 2.328 2.277 2.365 . 0 0 "[ . 1 . 2]" 4
928 1 24 LYS HB2 1 24 LYS QG 2.300 . 2.800 2.357 2.282 2.429 . 0 0 "[ . 1 . 2]" 4
929 1 101 GLU H 1 101 GLU HG2 3.150 . 4.500 4.375 4.269 4.450 . 0 0 "[ . 1 . 2]" 4
930 1 101 GLU HG3 1 125 LEU HA 3.150 . 4.500 4.085 3.393 4.507 0.007 3 0 "[ . 1 . 2]" 4
931 1 101 GLU HG3 1 124 LEU HG 3.150 . 4.500 3.885 2.091 4.583 0.083 20 0 "[ . 1 . 2]" 4
932 1 101 GLU HG3 1 125 LEU MD2 2.650 . 3.500 3.212 2.762 3.528 0.028 3 0 "[ . 1 . 2]" 4
933 1 101 GLU HB2 1 101 GLU HG2 2.650 . 3.500 2.870 2.557 3.012 . 0 0 "[ . 1 . 2]" 4
934 1 101 GLU HB2 1 101 GLU HG3 2.300 . 2.800 2.312 2.188 2.402 . 0 0 "[ . 1 . 2]" 4
935 1 32 MET H 1 32 MET HB3 3.150 . 4.500 2.734 2.558 3.653 . 0 0 "[ . 1 . 2]" 4
936 1 67 GLU H 1 67 GLU HG2 2.650 . 3.500 3.497 3.344 3.539 0.039 6 0 "[ . 1 . 2]" 4
937 1 67 GLU HB2 1 67 GLU HG3 2.300 . 2.800 2.392 2.345 2.419 . 0 0 "[ . 1 . 2]" 4
938 1 72 ILE HB 1 72 ILE HG13 2.300 . 2.800 2.416 2.374 2.450 . 0 0 "[ . 1 . 2]" 4
939 1 72 ILE HB 1 72 ILE HG12 2.650 . 3.500 3.016 3.009 3.028 . 0 0 "[ . 1 . 2]" 4
940 1 15 ILE HG13 1 15 ILE MG 2.650 . 3.500 3.212 3.201 3.218 . 0 0 "[ . 1 . 2]" 4
941 1 15 ILE HB 1 15 ILE MG 2.300 . 2.800 2.135 2.127 2.143 . 0 0 "[ . 1 . 2]" 4
942 1 72 ILE HG13 1 72 ILE MG 3.150 . 4.500 3.210 3.200 3.218 . 0 0 "[ . 1 . 2]" 4
943 1 66 VAL HA 1 66 VAL MG1 3.150 . 4.500 2.350 2.285 2.438 . 0 0 "[ . 1 . 2]" 4
944 1 114 VAL HB 1 114 VAL MG2 2.300 . 2.800 2.127 2.117 2.137 . 0 0 "[ . 1 . 2]" 4
945 1 25 LEU HA 1 25 LEU HB2 2.650 . 3.500 2.513 2.480 2.546 . 0 0 "[ . 1 . 2]" 4
946 1 66 VAL HA 1 72 ILE MD 3.150 . 4.500 3.313 3.067 3.609 . 0 0 "[ . 1 . 2]" 4
947 1 125 LEU MD2 1 125 LEU HG 2.300 . 2.800 2.117 2.102 2.128 . 0 0 "[ . 1 . 2]" 4
948 1 125 LEU HB2 1 125 LEU MD2 2.650 . 3.500 3.191 3.163 3.209 . 0 0 "[ . 1 . 2]" 4
949 1 38 LEU HA 1 38 LEU MD1 2.300 . 2.800 2.285 2.053 2.791 . 0 0 "[ . 1 . 2]" 4
950 1 28 LYS HB2 1 28 LYS HG2 2.650 . 3.500 3.013 3.002 3.026 . 0 0 "[ . 1 . 2]" 4
951 1 28 LYS HB3 1 28 LYS HG2 2.650 . 3.500 2.483 2.441 2.524 . 0 0 "[ . 1 . 2]" 4
952 1 132 ALA HA 1 132 ALA MB 2.300 . 2.800 2.119 2.108 2.132 . 0 0 "[ . 1 . 2]" 4
953 1 80 GLN HA 1 80 GLN HB3 2.300 . 2.800 2.461 2.358 2.556 . 0 0 "[ . 1 . 2]" 4
954 1 80 GLN HA 1 80 GLN HB2 2.650 . 3.500 2.761 2.337 3.028 . 0 0 "[ . 1 . 2]" 4
955 1 80 GLN HB3 1 80 GLN HG3 2.650 . 3.500 2.993 2.966 3.024 . 0 0 "[ . 1 . 2]" 4
956 1 80 GLN HB2 1 80 GLN HG3 2.650 . 3.500 2.393 2.298 2.457 . 0 0 "[ . 1 . 2]" 4
957 1 126 ARG H 1 126 ARG HB3 3.150 . 4.500 3.430 2.562 3.667 . 0 0 "[ . 1 . 2]" 4
958 1 125 LEU HG 1 126 ARG H 3.150 . 4.500 4.358 4.142 4.528 0.028 18 0 "[ . 1 . 2]" 4
959 1 133 LYS HD3 1 133 LYS HE2 2.650 . 3.500 2.531 2.351 3.026 . 0 0 "[ . 1 . 2]" 4
960 1 133 LYS HD2 1 133 LYS HE2 2.650 . 3.500 2.904 2.456 3.017 . 0 0 "[ . 1 . 2]" 4
961 1 133 LYS HD2 1 133 LYS HE3 2.650 . 3.500 2.457 2.288 2.521 . 0 0 "[ . 1 . 2]" 4
962 1 129 GLU HB2 1 129 GLU HG3 2.300 . 2.800 2.410 2.332 2.451 . 0 0 "[ . 1 . 2]" 4
963 1 68 ASN HA 1 68 ASN HB3 2.300 . 2.800 2.566 2.520 2.616 . 0 0 "[ . 1 . 2]" 4
964 1 144 ASN HA 1 144 ASN HB2 2.650 . 3.500 2.720 2.390 3.049 . 0 0 "[ . 1 . 2]" 4
965 1 18 ILE HB 1 33 THR MG 3.150 . 4.500 3.972 3.560 4.352 . 0 0 "[ . 1 . 2]" 4
966 1 75 GLU HA 1 75 GLU HG2 2.650 . 3.500 3.120 3.034 3.296 . 0 0 "[ . 1 . 2]" 4
967 1 75 GLU HA 1 75 GLU HG3 2.650 . 3.500 2.568 2.486 2.700 . 0 0 "[ . 1 . 2]" 4
968 1 75 GLU HA 1 75 GLU HB3 2.650 . 3.500 3.007 2.988 3.026 . 0 0 "[ . 1 . 2]" 4
969 1 133 LYS HE2 1 133 LYS HG3 3.150 . 4.500 3.071 2.495 3.348 . 0 0 "[ . 1 . 2]" 4
970 1 133 LYS HE2 1 133 LYS HG2 3.150 . 4.500 2.573 2.369 3.217 . 0 0 "[ . 1 . 2]" 4
971 1 133 LYS HE3 1 133 LYS HG3 3.150 . 4.500 2.787 2.467 3.757 . 0 0 "[ . 1 . 2]" 4
972 1 102 ALA MB 1 103 LEU H 3.150 . 4.500 2.539 2.495 2.591 . 0 0 "[ . 1 . 2]" 4
973 1 23 VAL MG2 1 25 LEU HG 2.650 . 3.500 2.836 2.457 3.038 . 0 0 "[ . 1 . 2]" 4
974 1 89 LEU HB2 1 89 LEU MD2 3.150 . 4.500 3.185 3.152 3.203 . 0 0 "[ . 1 . 2]" 4
975 1 7 LEU HG 1 120 THR MG 3.150 . 4.500 3.520 2.217 4.506 0.006 9 0 "[ . 1 . 2]" 4
976 1 103 LEU H 1 103 LEU MD1 3.150 . 4.500 3.602 2.045 3.756 . 0 0 "[ . 1 . 2]" 4
977 1 117 PRO HD3 1 117 PRO HG3 2.650 . 3.500 2.300 2.262 2.347 . 0 0 "[ . 1 . 2]" 4
978 1 117 PRO HD2 1 117 PRO HG2 2.650 . 3.500 2.286 2.140 2.359 . 0 0 "[ . 1 . 2]" 4
979 1 79 GLY HA3 1 117 PRO HG2 2.300 . 2.800 2.536 1.882 2.849 0.049 7 0 "[ . 1 . 2]" 4
980 1 131 GLN HB2 1 131 GLN QG 2.300 . 2.800 2.196 2.136 2.392 . 0 0 "[ . 1 . 2]" 4
981 1 131 GLN HB3 1 131 GLN QG 2.300 . 2.800 2.384 2.275 2.524 . 0 0 "[ . 1 . 2]" 4
982 1 81 ARG HA 1 81 ARG HG3 2.650 . 3.500 2.560 2.458 2.685 . 0 0 "[ . 1 . 2]" 4
983 1 97 LYS QD 1 97 LYS QE 2.300 . 2.800 2.047 1.992 2.100 . 0 0 "[ . 1 . 2]" 4
984 1 143 ASP HA 1 143 ASP HB2 2.300 . 2.800 2.506 2.373 2.628 . 0 0 "[ . 1 . 2]" 4
985 1 110 LYS HE2 1 140 TRP HH2 3.150 . 4.500 3.609 2.836 4.537 0.037 16 0 "[ . 1 . 2]" 4
986 1 41 THR HA 1 41 THR MG 2.650 . 3.500 2.286 2.181 2.412 . 0 0 "[ . 1 . 2]" 4
987 1 41 THR HA 1 109 ALA HA 2.650 . 3.500 2.496 2.138 2.838 . 0 0 "[ . 1 . 2]" 4
988 1 57 GLU HA 1 57 GLU QG 2.650 . 3.500 2.804 2.361 3.566 0.066 19 0 "[ . 1 . 2]" 4
989 1 41 THR MG 1 103 LEU MD1 3.150 . 4.500 2.615 2.119 4.318 . 0 0 "[ . 1 . 2]" 4
990 1 41 THR MG 1 103 LEU HB3 2.650 . 3.500 3.352 2.863 3.547 0.047 1 0 "[ . 1 . 2]" 4
991 1 41 THR HB 1 42 PRO HD3 2.650 . 3.500 3.344 2.788 3.576 0.076 20 0 "[ . 1 . 2]" 4
992 1 41 THR HB 1 42 PRO HD2 2.650 . 3.500 2.547 1.905 3.148 . 0 0 "[ . 1 . 2]" 4
993 1 41 THR HA 1 42 PRO HD2 2.650 . 3.500 2.848 2.445 3.269 . 0 0 "[ . 1 . 2]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 62
_Distance_constraint_stats_list.Viol_count 129
_Distance_constraint_stats_list.Viol_total 96.311
_Distance_constraint_stats_list.Viol_max 0.181
_Distance_constraint_stats_list.Viol_rms 0.0150
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0373
_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 5 LYS 0.000 0.000 6 0 "[ . 1 . 2]"
1 6 LYS 0.000 0.000 6 0 "[ . 1 . 2]"
1 7 LEU 0.034 0.017 17 0 "[ . 1 . 2]"
1 9 LYS 0.471 0.117 4 0 "[ . 1 . 2]"
1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 THR 0.602 0.068 6 0 "[ . 1 . 2]"
1 14 LEU 0.110 0.061 2 0 "[ . 1 . 2]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ILE 0.572 0.058 3 0 "[ . 1 . 2]"
1 20 GLY 0.059 0.054 3 0 "[ . 1 . 2]"
1 22 THR 0.484 0.058 3 0 "[ . 1 . 2]"
1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 0.602 0.068 6 0 "[ . 1 . 2]"
1 26 MET 0.987 0.075 14 0 "[ . 1 . 2]"
1 31 PRO 0.385 0.075 14 0 "[ . 1 . 2]"
1 32 MET 0.385 0.075 14 0 "[ . 1 . 2]"
1 33 THR 0.088 0.034 15 0 "[ . 1 . 2]"
1 38 LEU 0.429 0.106 19 0 "[ . 1 . 2]"
1 41 THR 0.017 0.017 18 0 "[ . 1 . 2]"
1 58 ALA 0.076 0.054 3 0 "[ . 1 . 2]"
1 60 ALA 0.071 0.030 12 0 "[ . 1 . 2]"
1 61 PHE 0.071 0.030 12 0 "[ . 1 . 2]"
1 62 THR 0.059 0.054 3 0 "[ . 1 . 2]"
1 63 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LYS 0.075 0.030 12 0 "[ . 1 . 2]"
1 65 MET 0.004 0.004 20 0 "[ . 1 . 2]"
1 66 VAL 0.101 0.061 2 0 "[ . 1 . 2]"
1 67 GLU 0.101 0.061 2 0 "[ . 1 . 2]"
1 71 LYS 1.014 0.181 12 0 "[ . 1 . 2]"
1 72 ILE 0.037 0.028 3 0 "[ . 1 . 2]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ASP 0.034 0.017 17 0 "[ . 1 . 2]"
1 78 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 LYS 0.986 0.181 12 0 "[ . 1 . 2]"
1 99 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 GLU 0.676 0.076 20 0 "[ . 1 . 2]"
1 102 ALA 0.278 0.062 20 0 "[ . 1 . 2]"
1 103 LEU 0.336 0.063 11 0 "[ . 1 . 2]"
1 104 VAL 0.769 0.076 20 0 "[ . 1 . 2]"
1 107 GLY 0.320 0.063 11 0 "[ . 1 . 2]"
1 108 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 ASN 0.429 0.106 19 0 "[ . 1 . 2]"
1 120 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 LEU 0.471 0.117 4 0 "[ . 1 . 2]"
1 125 LEU 0.727 0.076 20 0 "[ . 1 . 2]"
1 127 LYS 0.471 0.117 4 0 "[ . 1 . 2]"
1 128 SER 0.052 0.034 18 0 "[ . 1 . 2]"
1 129 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 ALA 0.320 0.063 11 0 "[ . 1 . 2]"
1 133 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 LYS 0.004 0.004 20 0 "[ . 1 . 2]"
1 135 GLU 0.004 0.004 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 THR HB 1 25 LEU HB3 2.650 . 3.500 3.517 3.364 3.568 0.068 6 0 "[ . 1 . 2]" 5
2 1 18 ILE HG12 1 22 THR HB 3.650 . 5.500 4.074 3.777 4.325 . 0 0 "[ . 1 . 2]" 5
3 1 18 ILE MD 1 22 THR HB 2.300 . 2.800 2.820 2.713 2.858 0.058 3 0 "[ . 1 . 2]" 5
4 1 23 VAL QG 1 62 THR HB 3.650 . 5.500 3.247 3.088 3.476 . 0 0 "[ . 1 . 2]" 5
5 1 16 LYS HA 1 23 VAL HA 2.650 . 3.500 2.524 2.149 2.814 . 0 0 "[ . 1 . 2]" 5
6 1 101 GLU HA 1 101 GLU HG2 2.300 . 2.800 2.512 2.177 2.737 . 0 0 "[ . 1 . 2]" 5
7 1 63 LYS HA 1 63 LYS QB 2.650 . 3.500 2.350 2.297 2.381 . 0 0 "[ . 1 . 2]" 5
8 1 124 LEU HA 1 124 LEU QB 2.300 . 2.800 2.365 2.325 2.398 . 0 0 "[ . 1 . 2]" 5
9 1 81 ARG HA 1 81 ARG HB3 2.300 . 2.800 2.428 2.357 2.510 . 0 0 "[ . 1 . 2]" 5
10 1 81 ARG HA 1 82 THR HA 3.650 . 5.500 3.935 3.895 3.995 . 0 0 "[ . 1 . 2]" 5
11 1 60 ALA HA 1 64 LYS H 2.650 . 3.500 3.253 3.146 3.333 . 0 0 "[ . 1 . 2]" 5
12 1 16 LYS HA 1 16 LYS HB2 2.300 . 2.800 2.373 2.241 2.647 . 0 0 "[ . 1 . 2]" 5
13 1 32 MET HA 1 32 MET HB3 2.300 . 2.800 2.700 2.254 2.748 . 0 0 "[ . 1 . 2]" 5
14 1 71 LYS HA 1 71 LYS HG3 2.650 . 3.500 3.357 3.254 3.528 0.028 3 0 "[ . 1 . 2]" 5
15 1 120 THR HA 1 121 HIS HA 3.650 . 5.500 4.021 3.935 4.126 . 0 0 "[ . 1 . 2]" 5
16 1 97 LYS HA 1 97 LYS QG 2.300 . 2.800 2.460 2.346 2.606 . 0 0 "[ . 1 . 2]" 5
17 1 77 ASP HA 1 77 ASP HB3 2.650 . 3.500 2.507 2.260 2.906 . 0 0 "[ . 1 . 2]" 5
18 1 77 ASP HA 1 77 ASP HB2 2.300 . 2.800 2.543 2.436 2.583 . 0 0 "[ . 1 . 2]" 5
19 1 7 LEU QB 1 77 ASP HA 2.650 . 3.500 2.408 1.783 3.460 0.017 17 0 "[ . 1 . 2]" 5
20 1 11 PRO QD 1 11 PRO QG 2.300 . 2.800 1.965 1.960 1.974 . 0 0 "[ . 1 . 2]" 5
21 1 20 GLY HA3 1 58 ALA HA 3.150 . 4.500 4.143 3.677 4.554 0.054 3 0 "[ . 1 . 2]" 5
22 1 14 LEU HB2 1 14 LEU MD1 2.650 . 3.500 2.073 1.839 2.161 . 0 0 "[ . 1 . 2]" 5
23 1 14 LEU HB3 1 14 LEU MD1 2.650 . 3.500 2.691 2.229 2.787 . 0 0 "[ . 1 . 2]" 5
24 1 38 LEU QD 1 119 ASN HB2 2.650 . 3.500 3.274 2.665 3.606 0.106 19 0 "[ . 1 . 2]" 5
25 1 14 LEU HB2 1 72 ILE MD 2.300 . 2.800 1.973 1.790 2.061 0.010 18 0 "[ . 1 . 2]" 5
26 1 14 LEU HB3 1 72 ILE MD 2.300 . 2.800 2.406 2.302 2.471 . 0 0 "[ . 1 . 2]" 5
27 1 14 LEU HA 1 72 ILE MG 3.150 . 4.500 3.892 3.677 4.036 . 0 0 "[ . 1 . 2]" 5
28 1 41 THR MG 1 58 ALA MB 2.300 . 2.800 2.291 1.924 2.795 . 0 0 "[ . 1 . 2]" 5
29 1 17 ALA MB 1 63 LYS QB 2.300 . 2.800 2.243 2.023 2.555 . 0 0 "[ . 1 . 2]" 5
30 1 14 LEU MD2 1 66 VAL HB 2.650 . 3.500 2.288 1.922 3.313 . 0 0 "[ . 1 . 2]" 5
31 1 14 LEU HB2 1 14 LEU MD2 2.300 . 2.800 2.022 1.965 2.042 . 0 0 "[ . 1 . 2]" 5
32 1 18 ILE HG13 1 33 THR HB 3.150 . 4.500 4.193 3.915 4.375 . 0 0 "[ . 1 . 2]" 5
33 1 18 ILE MD 1 33 THR HB 3.650 . 5.500 5.071 4.265 5.534 0.034 15 0 "[ . 1 . 2]" 5
34 1 38 LEU HB3 1 125 LEU MD1 2.300 . 2.800 2.257 2.000 2.680 . 0 0 "[ . 1 . 2]" 5
35 1 9 LYS HB2 1 9 LYS HG2 2.300 . 2.800 2.631 2.427 2.917 0.117 4 0 "[ . 1 . 2]" 5
36 1 124 LEU QB 1 124 LEU MD2 2.300 . 2.800 2.290 2.061 2.443 . 0 0 "[ . 1 . 2]" 5
37 1 104 VAL QG 1 125 LEU HA 2.300 . 2.800 2.666 2.460 2.834 0.034 18 0 "[ . 1 . 2]" 5
38 1 103 LEU H 1 104 VAL QG 2.650 . 3.500 3.502 3.447 3.563 0.063 11 0 "[ . 1 . 2]" 5
39 1 66 VAL HA 1 66 VAL MG2 2.650 . 3.500 2.895 2.785 3.005 . 0 0 "[ . 1 . 2]" 5
40 1 78 LYS QG 1 117 PRO HA 3.150 . 4.500 3.855 2.088 4.318 . 0 0 "[ . 1 . 2]" 5
41 1 73 GLU H 1 92 ILE MD 3.650 . 5.500 5.161 5.100 5.202 . 0 0 "[ . 1 . 2]" 5
42 1 5 LYS HA 1 5 LYS QG 2.300 . 2.800 2.334 2.058 2.800 0.000 6 0 "[ . 1 . 2]" 5
43 1 81 ARG HB3 1 81 ARG HD3 2.300 . 2.800 2.356 2.309 2.449 . 0 0 "[ . 1 . 2]" 5
44 1 81 ARG HB3 1 81 ARG HD2 2.300 . 2.800 2.371 2.285 2.411 . 0 0 "[ . 1 . 2]" 5
45 1 97 LYS HA 1 97 LYS HB2 2.650 . 3.500 2.847 2.408 2.964 . 0 0 "[ . 1 . 2]" 5
46 1 64 LYS HB2 1 65 MET H 2.650 . 3.500 3.042 2.476 3.504 0.004 20 0 "[ . 1 . 2]" 5
47 1 60 ALA HA 1 64 LYS HB2 2.650 . 3.500 3.277 2.735 3.530 0.030 12 0 "[ . 1 . 2]" 5
48 1 101 GLU HG2 1 102 ALA HA 2.650 . 3.500 3.433 2.961 3.562 0.062 20 0 "[ . 1 . 2]" 5
49 1 16 LYS HB3 1 16 LYS HE2 3.150 . 4.500 3.038 1.910 3.669 . 0 0 "[ . 1 . 2]" 5
50 1 14 LEU MD1 1 67 GLU HG3 2.650 . 3.500 2.716 2.367 3.057 . 0 0 "[ . 1 . 2]" 5
51 1 14 LEU MD1 1 67 GLU HG2 2.650 . 3.500 3.306 2.069 3.561 0.061 2 0 "[ . 1 . 2]" 5
52 1 64 LYS HA 1 64 LYS HB2 2.300 . 2.800 2.078 2.005 2.139 . 0 0 "[ . 1 . 2]" 5
53 1 64 LYS HA 1 64 LYS HB3 2.300 . 2.800 2.268 2.179 2.412 . 0 0 "[ . 1 . 2]" 5
54 1 16 LYS QD 1 18 ILE MD 2.300 . 2.800 2.173 1.918 2.454 . 0 0 "[ . 1 . 2]" 5
55 1 14 LEU HB2 1 14 LEU MD1 2.300 . 2.800 1.944 1.926 2.012 . 0 0 "[ . 1 . 2]" 5
56 1 99 VAL MG1 1 103 LEU MD2 2.300 . 2.800 2.454 2.203 2.685 . 0 0 "[ . 1 . 2]" 5
57 1 71 LYS HA 1 71 LYS HG3 2.300 . 2.800 2.729 2.384 2.981 0.181 12 0 "[ . 1 . 2]" 5
58 1 101 GLU HG2 1 125 LEU MD2 2.300 . 2.800 2.720 2.507 2.876 0.076 20 0 "[ . 1 . 2]" 5
59 1 26 MET HA 1 31 PRO HB2 3.150 . 4.500 4.478 4.239 4.575 0.075 14 0 "[ . 1 . 2]" 5
60 1 133 LYS HB2 1 133 LYS HG3 2.650 . 3.500 2.157 2.102 2.182 . 0 0 "[ . 1 . 2]" 5
61 1 41 THR MG 1 103 LEU QD 2.300 . 2.800 2.463 2.090 2.797 . 0 0 "[ . 1 . 2]" 5
62 1 41 THR MG 1 58 ALA MB 2.300 . 2.800 2.299 1.934 2.817 0.017 18 0 "[ . 1 . 2]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 77
_Distance_constraint_stats_list.Viol_count 100
_Distance_constraint_stats_list.Viol_total 55.141
_Distance_constraint_stats_list.Viol_max 0.083
_Distance_constraint_stats_list.Viol_rms 0.0083
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0276
_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 7 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 HIS 0.960 0.056 12 0 "[ . 1 . 2]"
1 9 LYS 0.013 0.013 11 0 "[ . 1 . 2]"
1 10 GLU 0.330 0.053 13 0 "[ . 1 . 2]"
1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 0.299 0.070 11 0 "[ . 1 . 2]"
1 28 LYS 0.090 0.048 2 0 "[ . 1 . 2]"
1 32 MET 0.150 0.070 11 0 "[ . 1 . 2]"
1 34 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PHE 0.924 0.083 3 0 "[ . 1 . 2]"
1 62 THR 0.015 0.015 12 0 "[ . 1 . 2]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLU 0.630 0.056 12 0 "[ . 1 . 2]"
1 76 PHE 0.060 0.020 1 0 "[ . 1 . 2]"
1 81 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 TYR 0.053 0.027 8 0 "[ . 1 . 2]"
1 93 TYR 0.066 0.027 8 0 "[ . 1 . 2]"
1 96 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 LEU 0.910 0.083 3 0 "[ . 1 . 2]"
1 110 LYS 0.221 0.044 9 0 "[ . 1 . 2]"
1 115 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 LYS 0.242 0.074 14 0 "[ . 1 . 2]"
1 137 LEU 0.044 0.032 14 0 "[ . 1 . 2]"
1 140 TRP 0.507 0.074 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 137 LEU HB2 1 140 TRP HD1 3.650 . 5.500 2.620 2.241 2.926 . 0 0 "[ . 1 . 2]" 6
2 1 137 LEU MD2 1 140 TRP HD1 3.650 . 5.500 4.882 3.629 5.532 0.032 14 0 "[ . 1 . 2]" 6
3 1 129 GLU HA 1 140 TRP HZ2 3.650 . 5.500 4.381 3.932 4.772 . 0 0 "[ . 1 . 2]" 6
4 1 110 LYS HE3 1 140 TRP HZ2 3.650 . 5.500 5.125 4.076 5.544 0.044 9 0 "[ . 1 . 2]" 6
5 1 110 LYS HE2 1 140 TRP HZ2 3.650 . 5.500 4.311 3.223 5.505 0.005 16 0 "[ . 1 . 2]" 6
6 1 110 LYS QD 1 140 TRP HZ2 3.150 . 4.500 3.747 2.902 4.124 . 0 0 "[ . 1 . 2]" 6
7 1 110 LYS HG3 1 140 TRP HZ2 3.650 . 5.500 3.411 2.000 4.066 . 0 0 "[ . 1 . 2]" 6
8 1 110 LYS HG2 1 140 TRP HZ2 3.150 . 4.500 2.653 2.058 3.943 . 0 0 "[ . 1 . 2]" 6
9 1 133 LYS HG2 1 140 TRP HZ2 3.150 . 4.500 4.420 4.198 4.574 0.074 14 0 "[ . 1 . 2]" 6
10 1 133 LYS HE3 1 140 TRP HH2 3.650 . 5.500 3.503 2.911 5.226 . 0 0 "[ . 1 . 2]" 6
11 1 110 LYS QB 1 140 TRP HH2 3.650 . 5.500 3.288 2.683 4.121 . 0 0 "[ . 1 . 2]" 6
12 1 110 LYS QD 1 140 TRP HH2 3.150 . 4.500 2.925 2.227 4.324 . 0 0 "[ . 1 . 2]" 6
13 1 110 LYS HG3 1 140 TRP HH2 3.150 . 4.500 3.924 1.956 4.537 0.037 9 0 "[ . 1 . 2]" 6
14 1 133 LYS HG3 1 140 TRP HH2 3.650 . 5.500 4.751 4.188 5.353 . 0 0 "[ . 1 . 2]" 6
15 1 27 TYR QD 1 28 LYS HA 3.650 . 5.500 5.183 5.077 5.324 . 0 0 "[ . 1 . 2]" 6
16 1 27 TYR QD 1 32 MET HG3 3.650 . 5.500 5.110 4.017 5.570 0.070 11 0 "[ . 1 . 2]" 6
17 1 27 TYR QD 1 28 LYS QD 3.650 . 5.500 4.004 3.548 4.571 . 0 0 "[ . 1 . 2]" 6
18 1 11 PRO QD 1 27 TYR QE 3.650 . 5.500 4.366 3.751 5.025 . 0 0 "[ . 1 . 2]" 6
19 1 27 TYR QE 1 28 LYS QE 3.150 . 4.500 3.050 2.398 4.548 0.048 2 0 "[ . 1 . 2]" 6
20 1 27 TYR QE 1 28 LYS HG3 3.150 . 4.500 3.287 2.974 3.390 . 0 0 "[ . 1 . 2]" 6
21 1 76 PHE QD 1 81 ARG HG3 3.150 . 4.500 2.554 2.041 2.869 . 0 0 "[ . 1 . 2]" 6
22 1 76 PHE QD 1 81 ARG HG2 3.650 . 5.500 3.740 3.418 4.307 . 0 0 "[ . 1 . 2]" 6
23 1 76 PHE QE 1 81 ARG HG2 3.650 . 5.500 3.343 3.036 4.502 . 0 0 "[ . 1 . 2]" 6
24 1 76 PHE QE 1 90 ALA MB 3.650 . 5.500 2.859 2.552 3.178 . 0 0 "[ . 1 . 2]" 6
25 1 74 VAL MG1 1 76 PHE QE 3.650 . 5.500 4.536 4.132 4.720 . 0 0 "[ . 1 . 2]" 6
26 1 74 VAL HB 1 76 PHE HZ 3.650 . 5.500 4.253 3.822 4.670 . 0 0 "[ . 1 . 2]" 6
27 1 61 PHE QD 1 62 THR HA 3.150 . 4.500 3.777 3.042 4.458 . 0 0 "[ . 1 . 2]" 6
28 1 61 PHE QD 1 106 GLN HB3 3.650 . 5.500 4.564 3.893 5.019 . 0 0 "[ . 1 . 2]" 6
29 1 61 PHE QD 1 102 ALA MB 3.650 . 5.500 4.082 3.722 4.717 . 0 0 "[ . 1 . 2]" 6
30 1 61 PHE HZ 1 108 LEU MD1 3.650 . 5.500 3.976 3.583 4.502 . 0 0 "[ . 1 . 2]" 6
31 1 61 PHE QE 1 108 LEU HG 3.650 . 5.500 5.545 5.507 5.583 0.083 3 0 "[ . 1 . 2]" 6
32 1 61 PHE QE 1 108 LEU MD1 3.650 . 5.500 3.104 2.700 3.446 . 0 0 "[ . 1 . 2]" 6
33 1 85 TYR HA 1 85 TYR QE 3.650 . 5.500 4.550 4.330 4.713 . 0 0 "[ . 1 . 2]" 6
34 1 91 TYR HA 1 93 TYR QD 3.650 . 5.500 5.354 5.072 5.527 0.027 8 0 "[ . 1 . 2]" 6
35 1 93 TYR QD 1 96 GLY HA3 3.650 . 5.500 4.466 3.855 5.437 . 0 0 "[ . 1 . 2]" 6
36 1 93 TYR QD 1 98 MET HA 3.650 . 5.500 3.306 2.919 3.714 . 0 0 "[ . 1 . 2]" 6
37 1 93 TYR QD 1 96 GLY HA2 3.650 . 5.500 3.242 2.510 4.126 . 0 0 "[ . 1 . 2]" 6
38 1 91 TYR HB3 1 93 TYR QD 3.650 . 5.500 4.368 4.026 4.655 . 0 0 "[ . 1 . 2]" 6
39 1 75 GLU HB3 1 93 TYR QD 3.150 . 4.500 3.717 3.445 4.373 . 0 0 "[ . 1 . 2]" 6
40 1 93 TYR QD 1 98 MET QB 3.650 . 5.500 3.378 2.864 4.597 . 0 0 "[ . 1 . 2]" 6
41 1 9 LYS HD2 1 93 TYR QD 3.650 . 5.500 4.388 3.076 5.513 0.013 11 0 "[ . 1 . 2]" 6
42 1 27 TYR QD 1 34 PHE HZ 3.150 . 4.500 3.249 2.830 3.672 . 0 0 "[ . 1 . 2]" 6
43 1 27 TYR HB2 1 34 PHE HZ 3.150 . 4.500 3.172 2.522 3.679 . 0 0 "[ . 1 . 2]" 6
44 1 34 PHE HZ 1 90 ALA MB 3.650 . 5.500 4.267 3.939 4.554 . 0 0 "[ . 1 . 2]" 6
45 1 140 TRP HA 1 140 TRP HZ3 3.650 . 5.500 4.666 4.428 4.854 . 0 0 "[ . 1 . 2]" 6
46 1 133 LYS HE2 1 140 TRP HZ3 3.650 . 5.500 3.325 2.660 5.196 . 0 0 "[ . 1 . 2]" 6
47 1 8 HIS HA 1 8 HIS HD2 3.150 . 4.500 4.333 4.093 4.436 . 0 0 "[ . 1 . 2]" 6
48 1 7 LEU HA 1 8 HIS HD2 3.650 . 5.500 3.189 2.462 4.578 . 0 0 "[ . 1 . 2]" 6
49 1 8 HIS HD2 1 75 GLU HG2 3.650 . 5.500 5.504 5.202 5.554 0.054 11 0 "[ . 1 . 2]" 6
50 1 8 HIS HE1 1 10 GLU HB3 3.650 . 5.500 5.432 5.192 5.553 0.053 13 0 "[ . 1 . 2]" 6
51 1 8 HIS HE1 1 10 GLU QG 3.650 . 5.500 2.898 2.660 3.221 . 0 0 "[ . 1 . 2]" 6
52 1 76 PHE QD 1 90 ALA HA 3.650 . 5.500 3.721 3.483 4.081 . 0 0 "[ . 1 . 2]" 6
53 1 61 PHE QD 1 103 LEU HA 3.150 . 4.500 3.337 2.719 4.080 . 0 0 "[ . 1 . 2]" 6
54 1 61 PHE QD 1 62 THR MG 3.650 . 5.500 5.111 4.492 5.515 0.015 12 0 "[ . 1 . 2]" 6
55 1 93 TYR QD 1 97 LYS HA 3.650 . 5.500 3.813 3.255 4.498 . 0 0 "[ . 1 . 2]" 6
56 1 8 HIS HD2 1 75 GLU HG3 3.650 . 5.500 5.326 4.930 5.556 0.056 12 0 "[ . 1 . 2]" 6
57 1 107 GLY HA2 1 140 TRP HD1 2.650 . 3.500 2.799 2.372 3.202 . 0 0 "[ . 1 . 2]" 6
58 1 132 ALA HA 1 140 TRP HD1 3.150 . 4.500 4.032 3.787 4.222 . 0 0 "[ . 1 . 2]" 6
59 1 137 LEU HB3 1 140 TRP HD1 3.150 . 4.500 4.049 3.482 4.512 0.012 17 0 "[ . 1 . 2]" 6
60 1 129 GLU HG3 1 140 TRP HZ2 2.650 . 3.500 2.419 2.027 2.876 . 0 0 "[ . 1 . 2]" 6
61 1 110 LYS QB 1 140 TRP HZ2 3.150 . 4.500 3.254 2.531 4.009 . 0 0 "[ . 1 . 2]" 6
62 1 133 LYS HE2 1 140 TRP HH2 3.150 . 4.500 3.195 2.670 4.542 0.042 18 0 "[ . 1 . 2]" 6
63 1 27 TYR HB2 1 27 TYR QD 2.650 . 3.500 2.565 2.465 2.681 . 0 0 "[ . 1 . 2]" 6
64 1 27 TYR QD 1 32 MET HB3 3.150 . 4.500 3.912 3.694 4.504 0.004 4 0 "[ . 1 . 2]" 6
65 1 10 GLU HB3 1 27 TYR QE 2.650 . 3.500 2.255 2.011 2.553 . 0 0 "[ . 1 . 2]" 6
66 1 10 GLU HB2 1 27 TYR QE 2.650 . 3.500 2.142 1.975 2.429 . 0 0 "[ . 1 . 2]" 6
67 1 115 TYR QB 1 115 TYR QD 2.650 . 3.500 2.141 2.114 2.173 . 0 0 "[ . 1 . 2]" 6
68 1 76 PHE HB2 1 76 PHE QD 3.150 . 4.500 2.316 2.279 2.365 . 0 0 "[ . 1 . 2]" 6
69 1 27 TYR QE 1 76 PHE QE 3.150 . 3.500 2.516 2.075 3.140 . 0 0 "[ . 1 . 2]" 6
70 1 27 TYR QE 1 76 PHE HZ 2.650 . 3.500 3.324 2.998 3.520 0.020 1 0 "[ . 1 . 2]" 6
71 1 61 PHE HB3 1 61 PHE QD 2.650 . 3.500 2.335 2.238 2.532 . 0 0 "[ . 1 . 2]" 6
72 1 85 TYR HA 1 85 TYR QD 2.650 . 3.500 2.737 2.220 3.149 . 0 0 "[ . 1 . 2]" 6
73 1 34 PHE HZ 1 76 PHE HZ 2.650 . 3.500 2.293 2.097 2.619 . 0 0 "[ . 1 . 2]" 6
74 1 8 HIS HD2 1 10 GLU QG 3.650 . 5.500 5.197 3.770 5.512 0.012 2 0 "[ . 1 . 2]" 6
75 1 85 TYR HB2 1 85 TYR QD 3.150 . 4.500 2.379 2.264 2.524 . 0 0 "[ . 1 . 2]" 6
76 1 93 TYR HB3 1 93 TYR QD 2.650 . 3.500 2.314 2.281 2.358 . 0 0 "[ . 1 . 2]" 6
77 1 27 TYR QD 1 76 PHE HZ 3.150 . 4.500 4.001 3.343 4.364 . 0 0 "[ . 1 . 2]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 82
_Distance_constraint_stats_list.Viol_count 54
_Distance_constraint_stats_list.Viol_total 37.038
_Distance_constraint_stats_list.Viol_max 0.100
_Distance_constraint_stats_list.Viol_rms 0.0079
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0343
_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 8 HIS 1.092 0.100 15 0 "[ . 1 . 2]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ILE 0.065 0.034 1 0 "[ . 1 . 2]"
1 22 THR 0.065 0.034 1 0 "[ . 1 . 2]"
1 23 VAL 0.025 0.025 8 0 "[ . 1 . 2]"
1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 PHE 0.025 0.025 8 0 "[ . 1 . 2]"
1 35 ARG 0.047 0.045 6 0 "[ . 1 . 2]"
1 40 ASP 0.069 0.054 3 0 "[ . 1 . 2]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 SER 0.041 0.019 1 0 "[ . 1 . 2]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LYS 0.041 0.019 1 0 "[ . 1 . 2]"
1 64 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PHE 1.092 0.100 15 0 "[ . 1 . 2]"
1 88 GLY 0.047 0.045 6 0 "[ . 1 . 2]"
1 91 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ASN 0.169 0.079 8 0 "[ . 1 . 2]"
1 101 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 VAL 0.169 0.079 8 0 "[ . 1 . 2]"
1 105 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 LYS 0.069 0.054 3 0 "[ . 1 . 2]"
1 122 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 GLN 0.045 0.037 15 0 "[ . 1 . 2]"
1 124 LEU 0.190 0.049 9 0 "[ . 1 . 2]"
1 125 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 LYS 0.046 0.037 15 0 "[ . 1 . 2]"
1 128 SER 0.190 0.049 9 0 "[ . 1 . 2]"
1 129 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 GLN 0.109 0.048 9 0 "[ . 1 . 2]"
1 132 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 GLU 0.108 0.048 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 58 ALA O 1 62 THR H 2.000 . 2.500 1.892 1.748 2.078 . 0 0 "[ . 1 . 2]" 7
2 1 58 ALA O 1 62 THR N 3.000 2.500 3.500 2.871 2.733 3.061 . 0 0 "[ . 1 . 2]" 7
3 1 59 SER O 1 63 LYS H 2.000 . 2.500 2.147 1.891 2.519 0.019 1 0 "[ . 1 . 2]" 7
4 1 59 SER O 1 63 LYS N 3.000 2.500 3.500 3.067 2.830 3.405 . 0 0 "[ . 1 . 2]" 7
5 1 60 ALA O 1 64 LYS H 2.000 . 2.500 1.892 1.745 2.125 . 0 0 "[ . 1 . 2]" 7
6 1 60 ALA O 1 64 LYS N 3.000 2.500 3.500 2.845 2.719 3.095 . 0 0 "[ . 1 . 2]" 7
7 1 61 PHE O 1 65 MET H 2.000 . 2.500 2.215 1.978 2.448 . 0 0 "[ . 1 . 2]" 7
8 1 61 PHE O 1 65 MET N 3.000 2.500 3.500 3.164 2.934 3.378 . 0 0 "[ . 1 . 2]" 7
9 1 62 THR O 1 66 VAL H 2.000 . 2.500 2.091 1.919 2.267 . 0 0 "[ . 1 . 2]" 7
10 1 62 THR O 1 66 VAL N 3.000 2.500 3.500 3.033 2.842 3.234 . 0 0 "[ . 1 . 2]" 7
11 1 63 LYS O 1 67 GLU H 2.000 . 2.500 1.967 1.817 2.115 . 0 0 "[ . 1 . 2]" 7
12 1 63 LYS O 1 67 GLU N 3.000 2.500 3.500 2.885 2.704 3.053 . 0 0 "[ . 1 . 2]" 7
13 1 99 VAL O 1 103 LEU H 2.000 . 2.500 1.887 1.767 2.215 . 0 0 "[ . 1 . 2]" 7
14 1 99 VAL O 1 103 LEU N 3.000 2.500 3.500 2.847 2.720 3.161 . 0 0 "[ . 1 . 2]" 7
15 1 100 ASN O 1 104 VAL H 2.000 . 2.500 2.332 1.984 2.579 0.079 8 0 "[ . 1 . 2]" 7
16 1 100 ASN O 1 104 VAL N 3.000 2.500 3.500 3.275 2.960 3.541 0.041 8 0 "[ . 1 . 2]" 7
17 1 101 GLU O 1 105 ARG H 2.000 . 2.500 1.751 1.700 1.831 . 0 0 "[ . 1 . 2]" 7
18 1 101 GLU O 1 105 ARG N 3.000 2.500 3.500 2.716 2.663 2.811 . 0 0 "[ . 1 . 2]" 7
19 1 122 GLU O 1 126 ARG H 2.000 . 2.500 1.936 1.714 2.222 . 0 0 "[ . 1 . 2]" 7
20 1 122 GLU O 1 126 ARG N 3.000 2.500 3.500 2.839 2.667 3.100 . 0 0 "[ . 1 . 2]" 7
21 1 123 GLN O 1 127 LYS H 2.000 . 2.500 2.146 1.901 2.537 0.037 15 0 "[ . 1 . 2]" 7
22 1 123 GLN O 1 127 LYS N 3.000 2.500 3.500 3.053 2.812 3.420 . 0 0 "[ . 1 . 2]" 7
23 1 124 LEU O 1 128 SER H 2.000 . 2.500 2.324 1.971 2.549 0.049 9 0 "[ . 1 . 2]" 7
24 1 124 LEU O 1 128 SER N 3.000 2.500 3.500 3.241 2.882 3.502 0.002 9 0 "[ . 1 . 2]" 7
25 1 125 LEU O 1 129 GLU H 2.000 . 2.500 1.928 1.787 2.078 . 0 0 "[ . 1 . 2]" 7
26 1 125 LEU O 1 129 GLU N 3.000 2.500 3.500 2.806 2.704 2.915 . 0 0 "[ . 1 . 2]" 7
27 1 126 ARG O 1 130 ALA H 2.000 . 2.500 2.034 1.805 2.419 . 0 0 "[ . 1 . 2]" 7
28 1 126 ARG O 1 130 ALA N 3.000 2.500 3.500 2.998 2.770 3.393 . 0 0 "[ . 1 . 2]" 7
29 1 127 LYS O 1 131 GLN H 2.000 . 2.500 2.120 1.829 2.501 0.001 8 0 "[ . 1 . 2]" 7
30 1 127 LYS O 1 131 GLN N 3.000 2.500 3.500 2.994 2.769 3.310 . 0 0 "[ . 1 . 2]" 7
31 1 128 SER O 1 132 ALA H 2.000 . 2.500 2.039 1.883 2.211 . 0 0 "[ . 1 . 2]" 7
32 1 128 SER O 1 132 ALA N 3.000 2.500 3.500 2.961 2.817 3.136 . 0 0 "[ . 1 . 2]" 7
33 1 129 GLU O 1 133 LYS H 2.000 . 2.500 1.891 1.801 1.992 . 0 0 "[ . 1 . 2]" 7
34 1 129 GLU O 1 133 LYS N 3.000 2.500 3.500 2.815 2.727 2.924 . 0 0 "[ . 1 . 2]" 7
35 1 130 ALA O 1 134 LYS H 2.000 . 2.500 2.135 1.886 2.372 . 0 0 "[ . 1 . 2]" 7
36 1 130 ALA O 1 134 LYS N 3.000 2.500 3.500 3.060 2.829 3.319 . 0 0 "[ . 1 . 2]" 7
37 1 131 GLN O 1 135 GLU H 2.000 . 2.500 2.322 2.007 2.548 0.048 9 0 "[ . 1 . 2]" 7
38 1 131 GLN O 1 135 GLU N 3.000 2.500 3.500 3.177 2.892 3.406 . 0 0 "[ . 1 . 2]" 7
39 1 16 LYS O 1 24 LYS H 2.000 . 2.500 1.822 1.744 1.947 . 0 0 "[ . 1 . 2]" 7
40 1 16 LYS O 1 24 LYS N 3.000 2.500 3.500 2.781 2.721 2.885 . 0 0 "[ . 1 . 2]" 7
41 1 16 LYS H 1 24 LYS O 2.000 . 2.500 1.922 1.770 2.046 . 0 0 "[ . 1 . 2]" 7
42 1 16 LYS N 1 24 LYS O 3.000 2.500 3.500 2.894 2.752 2.997 . 0 0 "[ . 1 . 2]" 7
43 1 18 ILE H 1 22 THR O 2.000 . 2.500 2.257 1.874 2.534 0.034 1 0 "[ . 1 . 2]" 7
44 1 18 ILE N 1 22 THR O 3.000 2.500 3.500 3.000 2.760 3.194 . 0 0 "[ . 1 . 2]" 7
45 1 23 VAL O 1 34 PHE H 2.000 . 2.500 1.761 1.717 1.919 . 0 0 "[ . 1 . 2]" 7
46 1 23 VAL O 1 34 PHE N 3.000 2.500 3.500 2.734 2.693 2.905 . 0 0 "[ . 1 . 2]" 7
47 1 23 VAL H 1 34 PHE O 2.000 . 2.500 2.089 1.839 2.525 0.025 8 0 "[ . 1 . 2]" 7
48 1 23 VAL N 1 34 PHE O 3.000 2.500 3.500 3.018 2.820 3.368 . 0 0 "[ . 1 . 2]" 7
49 1 25 LEU O 1 32 MET H 2.000 . 2.500 1.827 1.744 1.987 . 0 0 "[ . 1 . 2]" 7
50 1 25 LEU O 1 32 MET N 3.000 2.500 3.500 2.792 2.724 2.952 . 0 0 "[ . 1 . 2]" 7
51 1 25 LEU H 1 32 MET O 2.000 . 2.500 1.991 1.865 2.159 . 0 0 "[ . 1 . 2]" 7
52 1 25 LEU N 1 32 MET O 3.000 2.500 3.500 2.934 2.805 3.091 . 0 0 "[ . 1 . 2]" 7
53 1 27 TYR O 1 30 GLN H 2.000 . 2.500 1.996 1.880 2.151 . 0 0 "[ . 1 . 2]" 7
54 1 27 TYR O 1 30 GLN N 3.000 2.500 3.500 2.939 2.831 3.067 . 0 0 "[ . 1 . 2]" 7
55 1 27 TYR H 1 30 GLN O 2.000 . 2.500 1.782 1.735 1.948 . 0 0 "[ . 1 . 2]" 7
56 1 27 TYR N 1 30 GLN O 3.000 2.500 3.500 2.727 2.657 2.839 . 0 0 "[ . 1 . 2]" 7
57 1 33 THR O 1 88 GLY H 2.000 . 2.500 1.808 1.710 1.928 . 0 0 "[ . 1 . 2]" 7
58 1 33 THR O 1 88 GLY N 3.000 2.500 3.500 2.743 2.663 2.835 . 0 0 "[ . 1 . 2]" 7
59 1 35 ARG H 1 88 GLY O 2.000 . 2.500 1.989 1.729 2.545 0.045 6 0 "[ . 1 . 2]" 7
60 1 35 ARG N 1 88 GLY O 3.000 2.500 3.500 2.890 2.692 3.303 . 0 0 "[ . 1 . 2]" 7
61 1 75 GLU H 1 91 TYR O 2.000 . 2.500 1.739 1.688 1.841 . 0 0 "[ . 1 . 2]" 7
62 1 75 GLU N 1 91 TYR O 3.000 2.500 3.500 2.703 2.661 2.756 . 0 0 "[ . 1 . 2]" 7
63 1 75 GLU O 1 91 TYR H 2.000 . 2.500 1.754 1.675 1.890 . 0 0 "[ . 1 . 2]" 7
64 1 75 GLU O 1 91 TYR N 3.000 2.500 3.500 2.720 2.646 2.832 . 0 0 "[ . 1 . 2]" 7
65 1 73 GLU H 1 93 TYR O 2.000 . 2.500 1.930 1.825 2.064 . 0 0 "[ . 1 . 2]" 7
66 1 73 GLU N 1 93 TYR O 3.000 2.500 3.500 2.892 2.798 3.020 . 0 0 "[ . 1 . 2]" 7
67 1 73 GLU O 1 93 TYR H 2.000 . 2.500 1.749 1.686 1.794 . 0 0 "[ . 1 . 2]" 7
68 1 73 GLU O 1 93 TYR N 3.000 2.500 3.500 2.730 2.668 2.776 . 0 0 "[ . 1 . 2]" 7
69 1 8 HIS O 1 76 PHE H 2.000 . 2.500 2.139 1.931 2.358 . 0 0 "[ . 1 . 2]" 7
70 1 8 HIS O 1 76 PHE N 3.000 2.500 3.500 2.997 2.848 3.183 . 0 0 "[ . 1 . 2]" 7
71 1 8 HIS H 1 76 PHE O 2.000 . 2.500 2.484 2.079 2.600 0.100 15 0 "[ . 1 . 2]" 7
72 1 8 HIS N 1 76 PHE O 3.000 2.500 3.500 3.379 2.974 3.552 0.052 15 0 "[ . 1 . 2]" 7
73 1 10 GLU O 1 74 VAL H 2.000 . 2.500 1.807 1.713 1.912 . 0 0 "[ . 1 . 2]" 7
74 1 10 GLU O 1 74 VAL N 3.000 2.500 3.500 2.785 2.696 2.889 . 0 0 "[ . 1 . 2]" 7
75 1 10 GLU H 1 74 VAL O 2.000 . 2.500 1.868 1.764 2.060 . 0 0 "[ . 1 . 2]" 7
76 1 10 GLU N 1 74 VAL O 3.000 2.500 3.500 2.770 2.708 2.829 . 0 0 "[ . 1 . 2]" 7
77 1 12 ALA H 1 72 ILE O 2.000 . 2.500 1.870 1.744 2.061 . 0 0 "[ . 1 . 2]" 7
78 1 12 ALA N 1 72 ILE O 3.000 2.500 3.500 2.783 2.682 3.004 . 0 0 "[ . 1 . 2]" 7
79 1 40 ASP O 1 110 LYS H 2.000 . 2.500 1.999 1.756 2.554 0.054 3 0 "[ . 1 . 2]" 7
80 1 40 ASP O 1 110 LYS N 3.000 2.500 3.500 2.966 2.710 3.516 0.016 3 0 "[ . 1 . 2]" 7
81 1 40 ASP H 1 110 LYS O 2.000 . 2.500 1.856 1.677 2.114 . 0 0 "[ . 1 . 2]" 7
82 1 40 ASP N 1 110 LYS O 3.000 2.500 3.500 2.805 2.639 3.078 . 0 0 "[ . 1 . 2]" 7
stop_
save_
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