NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392324 |
1puq   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1puq
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 1367
_Distance_constraint_stats_list.Viol_count 3389
_Distance_constraint_stats_list.Viol_total 3311.722
_Distance_constraint_stats_list.Viol_max 0.260
_Distance_constraint_stats_list.Viol_rms 0.0232
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0489
_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 1 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LYS 0.484 0.049 15 0 "[ . 1 . 2]"
1 4 LEU 0.800 0.056 18 0 "[ . 1 . 2]"
1 5 GLN 5.712 0.081 14 0 "[ . 1 . 2]"
1 6 ILE 2.901 0.146 5 0 "[ . 1 . 2]"
1 7 ALA 6.484 0.177 16 0 "[ . 1 . 2]"
1 8 VAL 2.941 0.123 20 0 "[ . 1 . 2]"
1 9 GLY 1.669 0.065 17 0 "[ . 1 . 2]"
1 10 ILE 2.430 0.214 7 0 "[ . 1 . 2]"
1 11 ILE 3.579 0.142 10 0 "[ . 1 . 2]"
1 12 ARG 4.004 0.142 10 0 "[ . 1 . 2]"
1 13 ASN 7.013 0.224 20 0 "[ . 1 . 2]"
1 14 GLU 5.336 0.224 20 0 "[ . 1 . 2]"
1 15 ASN 1.025 0.112 6 0 "[ . 1 . 2]"
1 16 ASN 1.807 0.092 20 0 "[ . 1 . 2]"
1 17 GLU 0.328 0.063 20 0 "[ . 1 . 2]"
1 18 ILE 2.131 0.132 11 0 "[ . 1 . 2]"
1 19 PHE 0.491 0.054 18 0 "[ . 1 . 2]"
1 20 ILE 2.451 0.132 10 0 "[ . 1 . 2]"
1 21 THR 0.313 0.052 20 0 "[ . 1 . 2]"
1 22 ARG 0.240 0.045 16 0 "[ . 1 . 2]"
1 23 ARG 2.483 0.160 20 0 "[ . 1 . 2]"
1 24 ALA 2.380 0.160 20 0 "[ . 1 . 2]"
1 25 ALA 0.034 0.034 6 0 "[ . 1 . 2]"
1 26 ASP 0.199 0.044 6 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ALA 0.004 0.003 14 0 "[ . 1 . 2]"
1 31 ASN 0.016 0.005 12 0 "[ . 1 . 2]"
1 32 LYS 3.011 0.128 17 0 "[ . 1 . 2]"
1 33 LEU 3.772 0.128 17 0 "[ . 1 . 2]"
1 34 GLU 0.758 0.052 10 0 "[ . 1 . 2]"
1 35 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 PRO 0.516 0.049 19 0 "[ . 1 . 2]"
1 37 GLY 2.715 0.187 9 0 "[ . 1 . 2]"
1 38 GLY 6.038 0.187 9 0 "[ . 1 . 2]"
1 39 LYS 4.314 0.109 13 0 "[ . 1 . 2]"
1 40 ILE 12.365 0.177 16 0 "[ . 1 . 2]"
1 41 GLU 7.272 0.127 16 0 "[ . 1 . 2]"
1 42 MET 2.919 0.127 16 0 "[ . 1 . 2]"
1 43 GLY 3.585 0.177 14 0 "[ . 1 . 2]"
1 44 GLU 4.418 0.177 14 0 "[ . 1 . 2]"
1 45 THR 2.169 0.102 16 0 "[ . 1 . 2]"
1 46 PRO 0.766 0.059 18 0 "[ . 1 . 2]"
1 47 GLU 0.069 0.015 13 0 "[ . 1 . 2]"
1 48 GLN 2.067 0.102 16 0 "[ . 1 . 2]"
1 49 ALA 0.962 0.061 13 0 "[ . 1 . 2]"
1 50 VAL 3.859 0.148 16 0 "[ . 1 . 2]"
1 51 VAL 2.143 0.095 16 0 "[ . 1 . 2]"
1 52 ARG 2.886 0.148 16 0 "[ . 1 . 2]"
1 53 GLU 0.317 0.049 15 0 "[ . 1 . 2]"
1 54 LEU 4.014 0.156 7 0 "[ . 1 . 2]"
1 55 GLN 1.020 0.081 9 0 "[ . 1 . 2]"
1 56 GLU 2.156 0.137 17 0 "[ . 1 . 2]"
1 57 GLU 3.412 0.156 7 0 "[ . 1 . 2]"
1 58 VAL 4.793 0.179 9 0 "[ . 1 . 2]"
1 59 GLY 3.708 0.195 15 0 "[ . 1 . 2]"
1 60 ILE 8.917 0.252 14 0 "[ . 1 . 2]"
1 61 THR 6.488 0.222 3 0 "[ . 1 . 2]"
1 62 PRO 2.607 0.123 1 0 "[ . 1 . 2]"
1 63 GLN 1.282 0.258 16 0 "[ . 1 . 2]"
1 64 HIS 6.713 0.163 18 0 "[ . 1 . 2]"
1 65 PHE 6.595 0.200 8 0 "[ . 1 . 2]"
1 66 SER 2.757 0.200 8 0 "[ . 1 . 2]"
1 67 LEU 1.265 0.226 4 0 "[ . 1 . 2]"
1 68 PHE 2.567 0.133 18 0 "[ . 1 . 2]"
1 69 GLU 0.377 0.042 17 0 "[ . 1 . 2]"
1 70 LYS 1.801 0.110 15 0 "[ . 1 . 2]"
1 71 LEU 0.926 0.083 19 0 "[ . 1 . 2]"
1 72 GLU 1.074 0.053 1 0 "[ . 1 . 2]"
1 73 TYR 0.104 0.035 15 0 "[ . 1 . 2]"
1 74 GLU 1.231 0.105 13 0 "[ . 1 . 2]"
1 75 PHE 2.681 0.120 13 0 "[ . 1 . 2]"
1 76 PRO 2.160 0.162 8 0 "[ . 1 . 2]"
1 77 ASP 1.931 0.162 8 0 "[ . 1 . 2]"
1 78 ARG 0.555 0.049 15 0 "[ . 1 . 2]"
1 79 HIS 1.139 0.056 18 0 "[ . 1 . 2]"
1 80 ILE 2.591 0.120 14 0 "[ . 1 . 2]"
1 81 THR 0.368 0.040 6 0 "[ . 1 . 2]"
1 82 LEU 0.905 0.065 11 0 "[ . 1 . 2]"
1 83 TRP 3.868 0.157 15 0 "[ . 1 . 2]"
1 84 PHE 5.586 0.157 15 0 "[ . 1 . 2]"
1 85 TRP 0.637 0.044 16 0 "[ . 1 . 2]"
1 86 LEU 1.934 0.133 18 0 "[ . 1 . 2]"
1 87 VAL 7.223 0.260 7 0 "[ . 1 . 2]"
1 88 GLU 7.652 0.260 7 0 "[ . 1 . 2]"
1 89 ARG 3.915 0.163 18 0 "[ . 1 . 2]"
1 90 TRP 1.773 0.091 3 0 "[ . 1 . 2]"
1 91 GLU 2.278 0.222 3 0 "[ . 1 . 2]"
1 92 GLY 0.133 0.043 13 0 "[ . 1 . 2]"
1 93 GLU 0.519 0.059 12 0 "[ . 1 . 2]"
1 94 PRO 1.516 0.097 18 0 "[ . 1 . 2]"
1 95 TRP 7.177 0.179 9 0 "[ . 1 . 2]"
1 96 GLY 0.030 0.009 17 0 "[ . 1 . 2]"
1 97 LYS 0.002 0.002 18 0 "[ . 1 . 2]"
1 98 GLU 2.516 0.197 17 0 "[ . 1 . 2]"
1 99 GLY 0.032 0.010 12 0 "[ . 1 . 2]"
1 100 GLN 2.788 0.186 19 0 "[ . 1 . 2]"
1 101 PRO 2.836 0.186 19 0 "[ . 1 . 2]"
1 102 GLY 0.313 0.052 20 0 "[ . 1 . 2]"
1 103 GLU 0.127 0.029 18 0 "[ . 1 . 2]"
1 104 TRP 1.740 0.123 17 0 "[ . 1 . 2]"
1 105 MET 0.422 0.063 20 0 "[ . 1 . 2]"
1 106 SER 0.171 0.051 8 0 "[ . 1 . 2]"
1 107 LEU 0.704 0.067 10 0 "[ . 1 . 2]"
1 108 VAL 0.138 0.043 12 0 "[ . 1 . 2]"
1 109 GLY 1.635 0.083 19 0 "[ . 1 . 2]"
1 110 LEU 2.612 0.164 20 0 "[ . 1 . 2]"
1 111 ASN 2.733 0.165 13 0 "[ . 1 . 2]"
1 112 ALA 1.844 0.072 12 0 "[ . 1 . 2]"
1 113 ASP 0.031 0.019 10 0 "[ . 1 . 2]"
1 114 ASP 1.950 0.067 5 0 "[ . 1 . 2]"
1 115 PHE 5.396 0.165 13 0 "[ . 1 . 2]"
1 117 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ALA 2.704 0.169 9 0 "[ . 1 . 2]"
1 119 ASN 4.336 0.169 9 0 "[ . 1 . 2]"
1 120 GLU 1.027 0.114 2 0 "[ . 1 . 2]"
1 121 PRO 0.346 0.051 15 0 "[ . 1 . 2]"
1 122 VAL 3.649 0.124 18 0 "[ . 1 . 2]"
1 123 ILE 4.446 0.144 18 0 "[ . 1 . 2]"
1 124 ALA 0.386 0.051 18 0 "[ . 1 . 2]"
1 125 LYS 1.775 0.102 2 0 "[ . 1 . 2]"
1 126 LEU 1.046 0.074 19 0 "[ . 1 . 2]"
1 127 LYS 5.192 0.169 12 0 "[ . 1 . 2]"
1 128 ARG 0.378 0.027 1 0 "[ . 1 . 2]"
1 129 LEU 4.987 0.169 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 LYS HA 1 4 LEU H 1.800 . 2.800 2.180 2.147 2.246 . 0 0 "[ . 1 . 2]" 1
2 1 4 LEU HA 1 5 GLN H 1.800 . 2.800 2.164 2.135 2.219 . 0 0 "[ . 1 . 2]" 1
3 1 5 GLN HA 1 6 ILE H 1.800 . 2.800 2.264 2.204 2.319 . 0 0 "[ . 1 . 2]" 1
4 1 6 ILE HA 1 7 ALA H 1.800 . 2.800 2.160 2.144 2.183 . 0 0 "[ . 1 . 2]" 1
5 1 7 ALA HA 1 8 VAL H 1.800 . 2.800 2.181 2.163 2.275 . 0 0 "[ . 1 . 2]" 1
6 1 8 VAL HA 1 9 GLY H 1.800 . 2.800 2.350 2.261 2.372 . 0 0 "[ . 1 . 2]" 1
7 1 9 GLY HA3 1 10 ILE H 1.800 . 3.300 3.241 3.017 3.360 0.060 4 0 "[ . 1 . 2]" 1
8 1 9 GLY HA2 1 10 ILE H 1.800 . 3.300 2.157 2.139 2.213 . 0 0 "[ . 1 . 2]" 1
9 1 10 ILE HA 1 11 ILE H 1.800 . 2.800 2.164 2.142 2.206 . 0 0 "[ . 1 . 2]" 1
10 1 11 ILE HA 1 12 ARG H 1.800 . 2.800 2.110 2.082 2.126 . 0 0 "[ . 1 . 2]" 1
11 1 12 ARG HA 1 13 ASN H 1.800 . 2.800 2.112 2.079 2.200 . 0 0 "[ . 1 . 2]" 1
12 1 17 GLU HA 1 18 ILE H 1.800 . 2.800 2.338 2.228 2.434 . 0 0 "[ . 1 . 2]" 1
13 1 18 ILE HA 1 19 PHE H 1.800 . 2.800 2.174 2.115 2.211 . 0 0 "[ . 1 . 2]" 1
14 1 19 PHE HA 1 20 ILE H 1.800 . 2.800 2.166 2.131 2.250 . 0 0 "[ . 1 . 2]" 1
15 1 20 ILE HA 1 21 THR H 1.800 . 2.800 2.301 2.177 2.449 . 0 0 "[ . 1 . 2]" 1
16 1 21 THR HA 1 22 ARG H 1.800 . 5.000 2.166 2.131 2.331 . 0 0 "[ . 1 . 2]" 1
17 1 22 ARG HA 1 23 ARG H 1.800 . 3.800 2.188 2.129 2.502 . 0 0 "[ . 1 . 2]" 1
18 1 69 GLU HA 1 70 LYS H 1.800 . 2.800 2.244 2.175 2.405 . 0 0 "[ . 1 . 2]" 1
19 1 70 LYS HA 1 71 LEU H 1.800 . 2.800 2.176 2.142 2.197 . 0 0 "[ . 1 . 2]" 1
20 1 71 LEU HA 1 72 GLU H 1.800 . 2.800 2.240 2.139 2.459 . 0 0 "[ . 1 . 2]" 1
21 1 72 GLU HA 1 73 TYR H 1.800 . 2.800 2.150 2.126 2.158 . 0 0 "[ . 1 . 2]" 1
22 1 73 TYR HA 1 74 GLU H 1.800 . 2.800 2.254 2.148 2.318 . 0 0 "[ . 1 . 2]" 1
23 1 74 GLU HA 1 75 PHE H 1.800 . 2.800 2.138 2.102 2.180 . 0 0 "[ . 1 . 2]" 1
24 1 78 ARG HA 1 79 HIS H 1.800 . 2.800 2.238 2.190 2.298 . 0 0 "[ . 1 . 2]" 1
25 1 79 HIS HA 1 80 ILE H 1.800 . 2.800 2.178 2.149 2.231 . 0 0 "[ . 1 . 2]" 1
26 1 80 ILE HA 1 81 THR H 1.800 . 2.800 2.166 2.129 2.241 . 0 0 "[ . 1 . 2]" 1
27 1 81 THR HA 1 82 LEU H 1.800 . 2.800 2.168 2.154 2.193 . 0 0 "[ . 1 . 2]" 1
28 1 82 LEU HA 1 83 TRP H 1.800 . 2.800 2.132 2.109 2.149 . 0 0 "[ . 1 . 2]" 1
29 1 83 TRP HA 1 84 PHE H 1.800 . 2.800 2.129 2.101 2.150 . 0 0 "[ . 1 . 2]" 1
30 1 84 PHE HA 1 85 TRP H 1.800 . 2.800 2.135 2.112 2.178 . 0 0 "[ . 1 . 2]" 1
31 1 85 TRP HA 1 86 LEU H 1.800 . 2.800 2.270 2.236 2.304 . 0 0 "[ . 1 . 2]" 1
32 1 86 LEU HA 1 87 VAL H 1.800 . 2.800 2.146 2.110 2.211 . 0 0 "[ . 1 . 2]" 1
33 1 87 VAL HA 1 88 GLU H 1.800 . 2.800 2.268 2.239 2.296 . 0 0 "[ . 1 . 2]" 1
34 1 103 GLU HA 1 104 TRP H 1.800 . 2.800 2.369 2.361 2.378 . 0 0 "[ . 1 . 2]" 1
35 1 104 TRP HA 1 105 MET H 1.800 . 2.800 2.154 2.147 2.168 . 0 0 "[ . 1 . 2]" 1
36 1 105 MET HA 1 106 SER H 1.800 . 3.300 2.382 2.295 2.410 . 0 0 "[ . 1 . 2]" 1
37 1 106 SER HA 1 107 LEU H 1.800 . 2.800 2.146 2.139 2.153 . 0 0 "[ . 1 . 2]" 1
38 1 47 GLU H 1 48 GLN H 1.800 . 2.800 2.316 2.166 2.655 . 0 0 "[ . 1 . 2]" 1
39 1 48 GLN H 1 49 ALA H 1.800 . 2.800 2.500 2.426 2.597 . 0 0 "[ . 1 . 2]" 1
40 1 49 ALA H 1 50 VAL H 1.800 . 2.800 2.824 2.808 2.861 0.061 13 0 "[ . 1 . 2]" 1
41 1 50 VAL H 1 51 VAL H 1.800 . 2.800 2.517 2.487 2.556 . 0 0 "[ . 1 . 2]" 1
42 1 51 VAL H 1 52 ARG H 1.800 . 2.800 2.793 2.707 2.840 0.040 16 0 "[ . 1 . 2]" 1
43 1 52 ARG H 1 53 GLU H 1.800 . 2.800 2.553 2.450 2.615 . 0 0 "[ . 1 . 2]" 1
44 1 53 GLU H 1 54 LEU H 1.800 . 2.800 2.573 2.423 2.643 . 0 0 "[ . 1 . 2]" 1
45 1 54 LEU H 1 55 GLN H 1.800 . 2.800 2.758 2.721 2.816 0.016 9 0 "[ . 1 . 2]" 1
46 1 55 GLN H 1 56 GLU H 1.800 . 2.800 2.515 2.401 2.608 . 0 0 "[ . 1 . 2]" 1
47 1 56 GLU H 1 57 GLU H 1.800 . 2.800 2.453 2.412 2.567 . 0 0 "[ . 1 . 2]" 1
48 1 57 GLU H 1 58 VAL H 1.800 . 2.800 2.348 2.306 2.387 . 0 0 "[ . 1 . 2]" 1
49 1 58 VAL H 1 59 GLY H 1.800 . 2.800 1.897 1.868 1.930 . 0 0 "[ . 1 . 2]" 1
50 1 59 GLY H 1 60 ILE H 1.800 . 3.300 3.267 2.939 3.345 0.045 15 0 "[ . 1 . 2]" 1
51 1 47 GLU H 1 49 ALA H 1.800 . 5.000 3.428 3.373 3.527 . 0 0 "[ . 1 . 2]" 1
52 1 49 ALA H 1 51 VAL H 1.800 . 5.000 4.137 4.018 4.320 . 0 0 "[ . 1 . 2]" 1
53 1 51 VAL H 1 53 GLU H 1.800 . 5.000 4.391 4.107 4.527 . 0 0 "[ . 1 . 2]" 1
54 1 52 ARG H 1 54 LEU H 1.800 . 5.000 3.639 3.584 3.755 . 0 0 "[ . 1 . 2]" 1
55 1 53 GLU H 1 55 GLN H 1.800 . 5.000 4.566 4.428 4.636 . 0 0 "[ . 1 . 2]" 1
56 1 55 GLN H 1 57 GLU H 1.800 . 5.000 3.947 3.792 4.158 . 0 0 "[ . 1 . 2]" 1
57 1 56 GLU H 1 58 VAL H 1.800 . 5.000 3.862 3.699 4.014 . 0 0 "[ . 1 . 2]" 1
58 1 57 GLU H 1 59 GLY H 1.800 . 5.000 3.833 3.746 3.923 . 0 0 "[ . 1 . 2]" 1
59 1 58 VAL H 1 60 ILE H 1.800 . 5.000 4.590 4.415 4.654 . 0 0 "[ . 1 . 2]" 1
60 1 50 VAL H 1 53 GLU H 1.800 . 5.000 4.685 4.521 4.802 . 0 0 "[ . 1 . 2]" 1
61 1 51 VAL H 1 54 LEU H 1.800 . 5.000 4.594 4.462 4.670 . 0 0 "[ . 1 . 2]" 1
62 1 53 GLU H 1 56 GLU H 1.800 . 5.000 4.994 4.847 5.049 0.049 15 0 "[ . 1 . 2]" 1
63 1 55 GLN H 1 58 VAL H 1.800 . 5.000 4.785 4.657 5.014 0.014 16 0 "[ . 1 . 2]" 1
64 1 47 GLU HA 1 48 GLN H 1.800 . 5.000 3.569 3.546 3.600 . 0 0 "[ . 1 . 2]" 1
65 1 48 GLN HA 1 49 ALA H 1.800 . 5.000 3.375 3.308 3.482 . 0 0 "[ . 1 . 2]" 1
66 1 50 VAL HA 1 51 VAL H 1.800 . 5.000 3.549 3.538 3.564 . 0 0 "[ . 1 . 2]" 1
67 1 51 VAL HA 1 52 ARG H 1.800 . 5.000 3.529 3.509 3.558 . 0 0 "[ . 1 . 2]" 1
68 1 52 ARG HA 1 53 GLU H 1.800 . 5.000 3.546 3.510 3.562 . 0 0 "[ . 1 . 2]" 1
69 1 57 GLU HA 1 58 VAL H 1.800 . 5.000 3.203 3.169 3.228 . 0 0 "[ . 1 . 2]" 1
70 1 47 GLU HA 1 49 ALA H 1.800 . 5.000 4.047 3.804 4.530 . 0 0 "[ . 1 . 2]" 1
71 1 48 GLN HA 1 50 VAL H 1.800 . 5.000 4.386 4.221 4.510 . 0 0 "[ . 1 . 2]" 1
72 1 49 ALA HA 1 51 VAL H 1.800 . 5.000 4.985 4.910 5.047 0.047 11 0 "[ . 1 . 2]" 1
73 1 50 VAL HA 1 52 ARG H 1.800 . 5.000 4.267 4.102 4.566 . 0 0 "[ . 1 . 2]" 1
74 1 51 VAL HA 1 53 GLU H 1.800 . 5.000 4.875 4.618 5.013 0.013 16 0 "[ . 1 . 2]" 1
75 1 53 GLU HA 1 55 GLN H 1.800 . 5.000 4.186 4.016 4.270 . 0 0 "[ . 1 . 2]" 1
76 1 56 GLU HA 1 58 VAL H 1.800 . 5.000 4.043 3.965 4.146 . 0 0 "[ . 1 . 2]" 1
77 1 47 GLU HA 1 51 VAL H 1.800 . 5.000 4.766 4.512 5.015 0.015 13 0 "[ . 1 . 2]" 1
78 1 49 ALA HA 1 52 ARG H 1.800 . 5.000 4.161 3.881 4.311 . 0 0 "[ . 1 . 2]" 1
79 1 50 VAL HA 1 53 GLU H 1.800 . 5.000 3.507 3.234 3.694 . 0 0 "[ . 1 . 2]" 1
80 1 52 ARG HA 1 55 GLN H 1.800 . 5.000 3.875 3.738 4.026 . 0 0 "[ . 1 . 2]" 1
81 1 50 VAL HA 1 54 LEU H 1.800 . 5.000 3.796 3.503 4.017 . 0 0 "[ . 1 . 2]" 1
82 1 51 VAL HA 1 55 GLN H 1.800 . 5.000 4.955 4.789 5.030 0.030 14 0 "[ . 1 . 2]" 1
83 1 53 GLU HA 1 57 GLU H 1.800 . 5.000 4.197 3.882 4.809 . 0 0 "[ . 1 . 2]" 1
84 1 48 GLN HA 1 51 VAL HB 1.800 . 3.300 2.238 2.188 2.260 . 0 0 "[ . 1 . 2]" 1
85 1 49 ALA HA 1 52 ARG QB 1.800 . 3.800 3.518 2.977 3.805 0.005 14 0 "[ . 1 . 2]" 1
86 1 50 VAL HA 1 53 GLU QB 1.800 . 3.800 2.729 2.432 2.984 . 0 0 "[ . 1 . 2]" 1
87 1 51 VAL HA 1 54 LEU QB 1.800 . 3.800 2.507 2.409 2.671 . 0 0 "[ . 1 . 2]" 1
88 1 52 ARG HA 1 55 GLN QB 1.800 . 3.800 3.806 3.657 3.873 0.073 14 0 "[ . 1 . 2]" 1
89 1 53 GLU HA 1 56 GLU HB3 1.800 . 3.300 2.703 2.343 3.274 . 0 0 "[ . 1 . 2]" 1
90 1 53 GLU HA 1 56 GLU HB2 1.800 . 3.300 2.814 2.288 3.304 0.004 17 0 "[ . 1 . 2]" 1
91 1 54 LEU HA 1 57 GLU QB 1.800 . 3.800 3.087 2.618 3.646 . 0 0 "[ . 1 . 2]" 1
92 1 55 GLN HA 1 58 VAL HB 1.800 . 3.300 3.234 2.912 3.381 0.081 9 0 "[ . 1 . 2]" 1
93 1 122 VAL H 1 123 ILE H 1.800 . 2.800 2.539 2.443 2.594 . 0 0 "[ . 1 . 2]" 1
94 1 123 ILE H 1 124 ALA H 1.800 . 2.800 2.635 2.575 2.762 . 0 0 "[ . 1 . 2]" 1
95 1 124 ALA H 1 125 LYS H 1.800 . 2.800 2.711 2.664 2.805 0.005 7 0 "[ . 1 . 2]" 1
96 1 125 LYS H 1 126 LEU H 1.800 . 2.800 2.580 2.497 2.634 . 0 0 "[ . 1 . 2]" 1
97 1 126 LEU H 1 127 LYS H 1.800 . 2.800 2.465 2.422 2.539 . 0 0 "[ . 1 . 2]" 1
98 1 127 LYS H 1 128 ARG H 1.800 . 2.800 2.699 2.437 2.807 0.007 16 0 "[ . 1 . 2]" 1
99 1 128 ARG H 1 129 LEU H 1.800 . 3.800 2.566 2.538 2.615 . 0 0 "[ . 1 . 2]" 1
100 1 122 VAL H 1 124 ALA H 1.800 . 5.000 3.784 3.688 4.031 . 0 0 "[ . 1 . 2]" 1
101 1 123 ILE H 1 125 LYS H 1.800 . 5.000 4.186 4.142 4.252 . 0 0 "[ . 1 . 2]" 1
102 1 126 LEU H 1 128 ARG H 1.800 . 5.000 4.250 3.882 4.327 . 0 0 "[ . 1 . 2]" 1
103 1 127 LYS H 1 129 LEU H 1.800 . 5.000 3.786 3.616 3.936 . 0 0 "[ . 1 . 2]" 1
104 1 122 VAL H 1 125 LYS H 1.800 . 5.000 5.067 5.003 5.102 0.102 2 0 "[ . 1 . 2]" 1
105 1 125 LYS H 1 128 ARG H 1.800 . 5.000 4.826 4.586 5.004 0.004 20 0 "[ . 1 . 2]" 1
106 1 126 LEU H 1 129 LEU H 1.800 . 5.000 5.042 5.024 5.074 0.074 19 0 "[ . 1 . 2]" 1
107 1 122 VAL HA 1 123 ILE H 1.800 . 5.000 3.552 3.530 3.567 . 0 0 "[ . 1 . 2]" 1
108 1 123 ILE HA 1 124 ALA H 1.800 . 5.000 3.513 3.481 3.557 . 0 0 "[ . 1 . 2]" 1
109 1 128 ARG HA 1 129 LEU H 1.800 . 5.000 3.343 3.315 3.375 . 0 0 "[ . 1 . 2]" 1
110 1 120 GLU HA 1 122 VAL H 1.800 . 5.000 3.941 3.800 4.182 . 0 0 "[ . 1 . 2]" 1
111 1 122 VAL HA 1 124 ALA H 1.800 . 5.000 4.407 4.252 4.866 . 0 0 "[ . 1 . 2]" 1
112 1 123 ILE HA 1 125 LYS H 1.800 . 5.000 3.765 3.646 3.913 . 0 0 "[ . 1 . 2]" 1
113 1 125 LYS HA 1 127 LYS H 1.800 . 5.000 4.514 4.143 4.999 . 0 0 "[ . 1 . 2]" 1
114 1 127 LYS HA 1 129 LEU H 1.800 . 5.000 3.527 3.378 3.564 . 0 0 "[ . 1 . 2]" 1
115 1 120 GLU HA 1 123 ILE H 1.800 . 5.000 3.208 3.046 3.387 . 0 0 "[ . 1 . 2]" 1
116 1 121 PRO HA 1 124 ALA H 1.800 . 5.000 3.951 3.731 4.316 . 0 0 "[ . 1 . 2]" 1
117 1 122 VAL HA 1 125 LYS H 1.800 . 5.000 3.944 3.790 4.276 . 0 0 "[ . 1 . 2]" 1
118 1 123 ILE HA 1 126 LEU H 1.800 . 5.000 3.182 3.052 3.515 . 0 0 "[ . 1 . 2]" 1
119 1 124 ALA HA 1 127 LYS H 1.800 . 5.000 3.865 3.233 4.124 . 0 0 "[ . 1 . 2]" 1
120 1 126 LEU HA 1 129 LEU H 1.800 . 5.000 3.418 3.286 3.626 . 0 0 "[ . 1 . 2]" 1
121 1 121 PRO HA 1 125 LYS H 1.800 . 5.000 4.946 4.594 5.040 0.040 12 0 "[ . 1 . 2]" 1
122 1 121 PRO HA 1 124 ALA MB 1.800 . 3.800 2.853 2.563 3.267 . 0 0 "[ . 1 . 2]" 1
123 1 122 VAL HA 1 125 LYS QB 1.800 . 3.800 3.564 3.234 3.815 0.015 17 0 "[ . 1 . 2]" 1
124 1 123 ILE HA 1 126 LEU QB 1.800 . 3.800 2.962 2.591 3.347 . 0 0 "[ . 1 . 2]" 1
125 1 124 ALA HA 1 127 LYS QB 1.800 . 3.800 2.606 2.136 2.827 . 0 0 "[ . 1 . 2]" 1
126 1 125 LYS HA 1 128 ARG QB 1.800 . 3.800 3.645 3.223 3.821 0.021 7 0 "[ . 1 . 2]" 1
127 1 2 LYS H 1 2 LYS QG 1.800 . 5.500 3.960 2.324 4.173 . 0 0 "[ . 1 . 2]" 1
128 1 2 LYS HA 1 2 LYS QG 1.800 . 5.500 2.363 2.083 3.339 . 0 0 "[ . 1 . 2]" 1
129 1 1 MET HA 1 2 LYS H 1.800 . 3.300 2.414 2.180 2.935 . 0 0 "[ . 1 . 2]" 1
130 1 3 LYS H 1 3 LYS QG 1.800 . 5.500 2.576 2.143 4.147 . 0 0 "[ . 1 . 2]" 1
131 1 3 LYS HA 1 3 LYS QG 1.800 . 5.500 3.191 2.351 3.451 . 0 0 "[ . 1 . 2]" 1
132 1 3 LYS HA 1 3 LYS QE 1.800 . 5.000 4.658 3.992 5.003 0.003 7 0 "[ . 1 . 2]" 1
133 1 2 LYS HA 1 3 LYS H 1.800 . 3.300 2.204 2.140 2.252 . 0 0 "[ . 1 . 2]" 1
134 1 2 LYS QB 1 3 LYS HA 1.800 . 5.500 4.228 3.967 4.727 . 0 0 "[ . 1 . 2]" 1
135 1 2 LYS QG 1 3 LYS HA 1.800 . 5.500 4.433 3.858 5.230 . 0 0 "[ . 1 . 2]" 1
136 1 4 LEU H 1 4 LEU HG 1.800 . 3.300 2.346 2.180 2.535 . 0 0 "[ . 1 . 2]" 1
137 1 4 LEU H 1 4 LEU QB 1.800 . 5.500 3.129 3.064 3.239 . 0 0 "[ . 1 . 2]" 1
138 1 4 LEU H 1 4 LEU MD2 1.800 . 3.800 3.580 3.161 3.814 0.014 18 0 "[ . 1 . 2]" 1
139 1 3 LYS QG 1 4 LEU H 1.800 . 5.500 4.042 2.258 4.490 . 0 0 "[ . 1 . 2]" 1
140 1 3 LYS HB3 1 4 LEU H 1.800 . 5.000 3.998 3.203 4.260 . 0 0 "[ . 1 . 2]" 1
141 1 3 LYS HB2 1 4 LEU H 1.800 . 5.000 3.340 2.879 4.242 . 0 0 "[ . 1 . 2]" 1
142 1 3 LYS HA 1 4 LEU QD 1.800 . 7.000 4.064 3.665 4.252 . 0 0 "[ . 1 . 2]" 1
143 1 5 GLN H 1 5 GLN HG3 1.800 . 3.300 2.468 2.250 2.605 . 0 0 "[ . 1 . 2]" 1
144 1 5 GLN H 1 5 GLN HG2 1.800 . 3.300 3.348 3.335 3.359 0.059 9 0 "[ . 1 . 2]" 1
145 1 5 GLN HA 1 5 GLN HG3 1.800 . 3.300 3.340 3.322 3.353 0.053 12 0 "[ . 1 . 2]" 1
146 1 5 GLN HA 1 5 GLN HG2 1.800 . 3.300 2.541 2.449 2.731 . 0 0 "[ . 1 . 2]" 1
147 1 4 LEU MD1 1 5 GLN H 1.800 . 3.800 3.726 3.402 3.823 0.023 19 0 "[ . 1 . 2]" 1
148 1 4 LEU QB 1 5 GLN H 1.800 . 3.800 3.131 2.891 3.295 . 0 0 "[ . 1 . 2]" 1
149 1 6 ILE H 1 6 ILE QG 1.800 . 5.500 3.575 2.843 4.353 . 0 0 "[ . 1 . 2]" 1
150 1 6 ILE H 1 6 ILE MG 1.800 . 3.800 3.752 2.776 3.946 0.146 5 0 "[ . 1 . 2]" 1
151 1 6 ILE H 1 6 ILE MD 1.800 . 6.000 3.281 2.528 4.278 . 0 0 "[ . 1 . 2]" 1
152 1 6 ILE HA 1 6 ILE MG 1.800 . 6.000 2.498 2.183 3.157 . 0 0 "[ . 1 . 2]" 1
153 1 6 ILE HA 1 6 ILE MD 1.800 . 6.000 3.215 1.965 3.860 . 0 0 "[ . 1 . 2]" 1
154 1 5 GLN HB2 1 6 ILE H 1.800 . 3.800 3.663 3.537 3.761 . 0 0 "[ . 1 . 2]" 1
155 1 5 GLN HG3 1 6 ILE H 1.800 . 5.000 5.053 5.026 5.081 0.081 14 0 "[ . 1 . 2]" 1
156 1 5 GLN HG2 1 6 ILE H 1.800 . 5.000 4.331 4.229 4.517 . 0 0 "[ . 1 . 2]" 1
157 1 7 ALA H 1 7 ALA MB 1.800 . 3.800 2.444 2.408 2.496 . 0 0 "[ . 1 . 2]" 1
158 1 6 ILE HB 1 7 ALA H 1.800 . 5.000 4.243 4.045 4.424 . 0 0 "[ . 1 . 2]" 1
159 1 6 ILE MD 1 7 ALA H 1.800 . 4.300 2.668 2.187 3.132 . 0 0 "[ . 1 . 2]" 1
160 1 8 VAL H 1 8 VAL MG1 1.800 . 3.800 2.297 2.152 2.490 . 0 0 "[ . 1 . 2]" 1
161 1 8 VAL H 1 8 VAL MG2 1.800 . 6.000 3.035 2.922 3.269 . 0 0 "[ . 1 . 2]" 1
162 1 8 VAL HA 1 8 VAL MG1 1.800 . 6.000 2.819 2.748 2.922 . 0 0 "[ . 1 . 2]" 1
163 1 8 VAL HA 1 8 VAL MG2 1.800 . 6.000 3.039 2.965 3.068 . 0 0 "[ . 1 . 2]" 1
164 1 7 ALA MB 1 8 VAL H 1.800 . 4.300 3.161 2.851 3.218 . 0 0 "[ . 1 . 2]" 1
165 1 7 ALA HA 1 8 VAL MG1 1.800 . 6.000 3.195 3.128 3.283 . 0 0 "[ . 1 . 2]" 1
166 1 7 ALA HA 1 8 VAL MG2 1.800 . 6.000 4.781 4.668 4.985 . 0 0 "[ . 1 . 2]" 1
167 1 8 VAL MG2 1 9 GLY H 1.800 . 3.800 2.328 2.238 2.401 . 0 0 "[ . 1 . 2]" 1
168 1 8 VAL MG1 1 9 GLY H 1.800 . 6.000 4.080 4.048 4.149 . 0 0 "[ . 1 . 2]" 1
169 1 8 VAL HB 1 9 GLY H 1.800 . 3.300 2.816 2.725 3.030 . 0 0 "[ . 1 . 2]" 1
170 1 8 VAL MG2 1 9 GLY HA3 1.800 . 3.800 3.850 3.828 3.865 0.065 17 0 "[ . 1 . 2]" 1
171 1 10 ILE H 1 10 ILE HB 1.800 . 3.300 3.274 2.966 3.514 0.214 7 0 "[ . 1 . 2]" 1
172 1 10 ILE H 1 10 ILE QG 1.800 . 5.500 1.826 1.765 1.968 0.035 3 0 "[ . 1 . 2]" 1
173 1 10 ILE H 1 10 ILE MG 1.800 . 3.800 3.434 2.659 3.705 . 0 0 "[ . 1 . 2]" 1
174 1 10 ILE H 1 10 ILE MD 1.800 . 6.000 2.841 1.950 3.558 . 0 0 "[ . 1 . 2]" 1
175 1 11 ILE H 1 11 ILE HB 1.800 . 3.300 2.972 2.875 3.166 . 0 0 "[ . 1 . 2]" 1
176 1 11 ILE H 1 11 ILE MG 1.800 . 3.800 3.708 3.616 3.744 . 0 0 "[ . 1 . 2]" 1
177 1 11 ILE H 1 11 ILE MD 1.800 . 6.000 3.464 2.118 3.663 . 0 0 "[ . 1 . 2]" 1
178 1 10 ILE MD 1 11 ILE H 1.800 . 6.000 5.117 4.158 5.499 . 0 0 "[ . 1 . 2]" 1
179 1 11 ILE HA 1 11 ILE MG 1.800 . 6.000 2.155 2.092 2.188 . 0 0 "[ . 1 . 2]" 1
180 1 11 ILE HA 1 11 ILE MD 1.800 . 5.300 3.796 3.688 3.928 . 0 0 "[ . 1 . 2]" 1
181 1 12 ARG H 1 12 ARG HG3 1.800 . 3.800 3.837 3.807 3.864 0.064 15 0 "[ . 1 . 2]" 1
182 1 12 ARG H 1 12 ARG HG2 1.800 . 3.800 3.784 3.333 3.839 0.039 7 0 "[ . 1 . 2]" 1
183 1 12 ARG H 1 12 ARG QD 1.800 . 5.500 4.750 4.509 4.955 . 0 0 "[ . 1 . 2]" 1
184 1 12 ARG HA 1 12 ARG QG 1.800 . 5.500 2.047 1.999 2.268 . 0 0 "[ . 1 . 2]" 1
185 1 11 ILE MD 1 12 ARG H 1.800 . 5.000 5.110 5.068 5.142 0.142 10 0 "[ . 1 . 2]" 1
186 1 12 ARG HA 1 18 ILE MG 1.800 . 4.300 3.781 3.541 4.347 0.047 17 0 "[ . 1 . 2]" 1
187 1 13 ASN HA 1 13 ASN HB3 1.800 . 2.800 2.771 2.332 2.983 0.183 6 0 "[ . 1 . 2]" 1
188 1 13 ASN HA 1 13 ASN HB2 1.800 . 2.800 2.550 2.240 2.646 . 0 0 "[ . 1 . 2]" 1
189 1 12 ARG QB 1 13 ASN H 1.800 . 5.500 3.386 3.097 3.521 . 0 0 "[ . 1 . 2]" 1
190 1 14 GLU H 1 14 GLU QG 1.800 . 5.500 3.952 3.881 4.035 . 0 0 "[ . 1 . 2]" 1
191 1 14 GLU HA 1 14 GLU QG 1.800 . 3.300 2.499 2.394 3.120 . 0 0 "[ . 1 . 2]" 1
192 1 13 ASN HA 1 14 GLU H 1.800 . 3.300 2.613 2.480 2.664 . 0 0 "[ . 1 . 2]" 1
193 1 13 ASN HB3 1 14 GLU H 1.800 . 3.300 2.876 2.455 3.524 0.224 20 0 "[ . 1 . 2]" 1
194 1 13 ASN HB2 1 14 GLU H 1.800 . 3.300 2.936 1.796 3.510 0.210 4 0 "[ . 1 . 2]" 1
195 1 13 ASN H 1 14 GLU H 1.800 . 5.000 4.423 4.397 4.493 . 0 0 "[ . 1 . 2]" 1
196 1 15 ASN H 1 15 ASN HB3 1.800 . 2.800 2.785 2.629 2.852 0.052 20 0 "[ . 1 . 2]" 1
197 1 15 ASN H 1 15 ASN HB2 1.800 . 3.300 3.167 2.997 3.269 . 0 0 "[ . 1 . 2]" 1
198 1 15 ASN HA 1 15 ASN HB2 1.800 . 2.800 2.474 2.429 2.533 . 0 0 "[ . 1 . 2]" 1
199 1 14 GLU HA 1 15 ASN H 1.800 . 3.300 3.273 3.153 3.412 0.112 6 0 "[ . 1 . 2]" 1
200 1 14 GLU HB3 1 15 ASN H 1.800 . 5.000 3.629 3.216 3.863 . 0 0 "[ . 1 . 2]" 1
201 1 14 GLU HB2 1 15 ASN H 1.800 . 5.000 4.464 4.296 4.539 . 0 0 "[ . 1 . 2]" 1
202 1 14 GLU H 1 15 ASN H 1.800 . 2.800 2.728 2.569 2.908 0.108 11 0 "[ . 1 . 2]" 1
203 1 13 ASN HB3 1 15 ASN H 1.800 . 5.500 3.003 2.143 4.466 . 0 0 "[ . 1 . 2]" 1
204 1 13 ASN HB2 1 15 ASN H 1.800 . 5.500 3.734 2.983 4.242 . 0 0 "[ . 1 . 2]" 1
205 1 16 ASN HA 1 16 ASN HB3 1.800 . 2.800 2.599 2.232 2.842 0.042 18 0 "[ . 1 . 2]" 1
206 1 16 ASN HA 1 16 ASN HB2 1.800 . 2.800 2.689 2.352 2.892 0.092 20 0 "[ . 1 . 2]" 1
207 1 15 ASN HA 1 16 ASN H 1.800 . 5.000 2.762 2.646 3.537 . 0 0 "[ . 1 . 2]" 1
208 1 15 ASN HB3 1 16 ASN H 1.800 . 5.000 4.176 1.910 4.355 . 0 0 "[ . 1 . 2]" 1
209 1 15 ASN HB2 1 16 ASN H 1.800 . 5.000 4.582 3.466 4.665 . 0 0 "[ . 1 . 2]" 1
210 1 15 ASN H 1 16 ASN H 1.800 . 2.800 2.772 2.598 2.830 0.030 6 0 "[ . 1 . 2]" 1
211 1 14 GLU QB 1 16 ASN H 1.800 . 5.500 5.366 5.097 5.533 0.033 6 0 "[ . 1 . 2]" 1
212 1 17 GLU H 1 17 GLU QG 1.800 . 3.800 2.244 1.885 3.243 . 0 0 "[ . 1 . 2]" 1
213 1 17 GLU HA 1 17 GLU QG 1.800 . 5.500 3.064 2.216 3.476 . 0 0 "[ . 1 . 2]" 1
214 1 16 ASN H 1 17 GLU H 1.800 . 5.000 2.753 1.808 2.858 . 0 0 "[ . 1 . 2]" 1
215 1 16 ASN HA 1 17 GLU H 1.800 . 3.300 3.026 2.928 3.197 . 0 0 "[ . 1 . 2]" 1
216 1 16 ASN HB3 1 17 GLU H 1.800 . 5.000 4.344 3.934 4.672 . 0 0 "[ . 1 . 2]" 1
217 1 16 ASN HB2 1 17 GLU H 1.800 . 5.000 4.268 4.009 4.545 . 0 0 "[ . 1 . 2]" 1
218 1 16 ASN H 1 17 GLU QG 1.800 . 5.500 4.107 2.989 4.903 . 0 0 "[ . 1 . 2]" 1
219 1 15 ASN H 1 17 GLU QB 1.800 . 5.500 4.397 3.661 5.354 . 0 0 "[ . 1 . 2]" 1
220 1 15 ASN H 1 17 GLU QG 1.800 . 5.500 3.135 2.413 4.871 . 0 0 "[ . 1 . 2]" 1
221 1 15 ASN HB3 1 17 GLU H 1.800 . 5.500 3.520 3.236 3.716 . 0 0 "[ . 1 . 2]" 1
222 1 15 ASN HB2 1 17 GLU H 1.800 . 5.500 4.834 4.592 4.991 . 0 0 "[ . 1 . 2]" 1
223 1 18 ILE H 1 18 ILE HB 1.800 . 3.300 2.478 2.359 2.636 . 0 0 "[ . 1 . 2]" 1
224 1 18 ILE H 1 18 ILE QG 1.800 . 5.500 3.368 3.002 4.021 . 0 0 "[ . 1 . 2]" 1
225 1 18 ILE H 1 18 ILE MG 1.800 . 6.000 3.580 2.795 3.791 . 0 0 "[ . 1 . 2]" 1
226 1 18 ILE H 1 18 ILE MD 1.800 . 4.300 3.632 2.290 4.317 0.017 17 0 "[ . 1 . 2]" 1
227 1 18 ILE HA 1 18 ILE QG 1.800 . 3.800 2.206 1.934 2.407 . 0 0 "[ . 1 . 2]" 1
228 1 18 ILE HA 1 18 ILE MG 1.800 . 3.800 2.638 2.501 3.093 . 0 0 "[ . 1 . 2]" 1
229 1 18 ILE HA 1 18 ILE MD 1.800 . 6.000 3.625 2.582 3.785 . 0 0 "[ . 1 . 2]" 1
230 1 17 GLU QB 1 18 ILE H 1.800 . 5.500 2.713 2.468 3.014 . 0 0 "[ . 1 . 2]" 1
231 1 17 GLU QG 1 18 ILE H 1.800 . 5.500 4.041 3.705 4.470 . 0 0 "[ . 1 . 2]" 1
232 1 19 PHE H 1 19 PHE QD 1.800 . 5.400 3.663 3.086 4.184 . 0 0 "[ . 1 . 2]" 1
233 1 19 PHE H 1 19 PHE QE 1.800 . 7.100 5.781 5.300 6.180 . 0 0 "[ . 1 . 2]" 1
234 1 18 ILE HB 1 19 PHE HA 1.800 . 5.000 4.877 4.758 4.952 . 0 0 "[ . 1 . 2]" 1
235 1 18 ILE MD 1 19 PHE HA 1.800 . 4.300 3.721 3.619 3.887 . 0 0 "[ . 1 . 2]" 1
236 1 20 ILE H 1 20 ILE HB 1.800 . 3.300 3.348 3.236 3.432 0.132 10 0 "[ . 1 . 2]" 1
237 1 20 ILE H 1 20 ILE MD 1.800 . 4.300 3.377 1.950 3.798 . 0 0 "[ . 1 . 2]" 1
238 1 20 ILE HA 1 20 ILE MG 1.800 . 3.800 2.003 1.922 2.144 . 0 0 "[ . 1 . 2]" 1
239 1 20 ILE HA 1 20 ILE MD 1.800 . 6.000 3.996 2.893 4.146 . 0 0 "[ . 1 . 2]" 1
240 1 19 PHE QB 1 20 ILE H 1.800 . 5.500 3.829 3.605 4.026 . 0 0 "[ . 1 . 2]" 1
241 1 21 THR H 1 21 THR MG 1.800 . 4.300 2.094 1.895 2.359 . 0 0 "[ . 1 . 2]" 1
242 1 21 THR HA 1 21 THR HB 1.800 . 2.800 2.375 2.314 2.448 . 0 0 "[ . 1 . 2]" 1
243 1 21 THR HA 1 21 THR MG 1.800 . 4.300 2.541 2.366 3.208 . 0 0 "[ . 1 . 2]" 1
244 1 20 ILE HB 1 21 THR H 1.800 . 5.000 3.065 2.618 3.478 . 0 0 "[ . 1 . 2]" 1
245 1 20 ILE MG 1 21 THR H 1.800 . 6.000 2.725 2.448 2.965 . 0 0 "[ . 1 . 2]" 1
246 1 21 THR HB 1 22 ARG H 1.800 . 5.000 3.482 2.714 4.240 . 0 0 "[ . 1 . 2]" 1
247 1 21 THR MG 1 22 ARG H 1.800 . 6.000 4.229 4.016 4.372 . 0 0 "[ . 1 . 2]" 1
248 1 23 ARG H 1 23 ARG QG 1.800 . 5.500 3.920 2.333 4.385 . 0 0 "[ . 1 . 2]" 1
249 1 23 ARG HA 1 23 ARG QG 1.800 . 5.500 2.528 2.437 2.909 . 0 0 "[ . 1 . 2]" 1
250 1 24 ALA H 1 24 ALA MB 1.800 . 3.800 2.918 2.732 2.984 . 0 0 "[ . 1 . 2]" 1
251 1 23 ARG H 1 24 ALA H 1.800 . 5.000 4.124 2.701 4.464 . 0 0 "[ . 1 . 2]" 1
252 1 23 ARG HA 1 24 ALA H 1.800 . 3.300 3.363 2.983 3.460 0.160 20 0 "[ . 1 . 2]" 1
253 1 23 ARG QB 1 24 ALA H 1.800 . 5.500 2.135 1.791 3.772 0.009 16 0 "[ . 1 . 2]" 1
254 1 23 ARG QG 1 24 ALA H 1.800 . 5.500 2.447 1.948 4.381 . 0 0 "[ . 1 . 2]" 1
255 1 22 ARG H 1 24 ALA HA 1.800 . 5.000 4.892 4.064 5.045 0.045 16 0 "[ . 1 . 2]" 1
256 1 23 ARG QB 1 24 ALA MB 1.800 . 6.500 4.077 3.626 4.504 . 0 0 "[ . 1 . 2]" 1
257 1 25 ALA H 1 25 ALA MB 1.800 . 3.800 2.525 2.111 3.006 . 0 0 "[ . 1 . 2]" 1
258 1 24 ALA HA 1 25 ALA H 1.800 . 5.000 2.976 2.623 3.567 . 0 0 "[ . 1 . 2]" 1
259 1 24 ALA MB 1 25 ALA H 1.800 . 6.000 2.413 1.930 3.677 . 0 0 "[ . 1 . 2]" 1
260 1 26 ASP HA 1 26 ASP HB3 1.800 . 2.800 2.436 2.280 2.842 0.042 11 0 "[ . 1 . 2]" 1
261 1 26 ASP HA 1 26 ASP HB2 1.800 . 2.800 2.558 2.458 2.844 0.044 6 0 "[ . 1 . 2]" 1
262 1 25 ALA HA 1 26 ASP H 1.800 . 5.000 3.300 2.936 3.564 . 0 0 "[ . 1 . 2]" 1
263 1 25 ALA MB 1 26 ASP H 1.800 . 4.300 3.055 2.363 3.625 . 0 0 "[ . 1 . 2]" 1
264 1 25 ALA H 1 26 ASP H 1.800 . 3.300 2.466 1.996 3.334 0.034 6 0 "[ . 1 . 2]" 1
265 1 25 ALA MB 1 26 ASP QB 1.800 . 6.500 3.674 3.144 4.494 . 0 0 "[ . 1 . 2]" 1
266 1 25 ALA MB 1 26 ASP HA 1.800 . 6.000 4.345 4.011 4.581 . 0 0 "[ . 1 . 2]" 1
267 1 27 ALA H 1 27 ALA MB 1.800 . 6.000 2.601 2.085 2.930 . 0 0 "[ . 1 . 2]" 1
268 1 30 ALA H 1 30 ALA MB 1.800 . 6.000 2.159 2.055 2.295 . 0 0 "[ . 1 . 2]" 1
269 1 29 MET HA 1 30 ALA H 1.800 . 3.300 2.588 2.160 2.944 . 0 0 "[ . 1 . 2]" 1
270 1 29 MET HA 1 30 ALA MB 1.800 . 6.000 4.323 3.952 4.616 . 0 0 "[ . 1 . 2]" 1
271 1 29 MET QB 1 30 ALA MB 1.800 . 6.500 4.885 4.677 5.070 . 0 0 "[ . 1 . 2]" 1
272 1 31 ASN H 1 31 ASN HB3 1.800 . 3.300 3.002 2.608 3.305 0.005 12 0 "[ . 1 . 2]" 1
273 1 31 ASN H 1 31 ASN HB2 1.800 . 3.300 2.371 2.189 2.803 . 0 0 "[ . 1 . 2]" 1
274 1 30 ALA HA 1 31 ASN H 1.800 . 5.000 3.399 3.356 3.458 . 0 0 "[ . 1 . 2]" 1
275 1 30 ALA MB 1 31 ASN H 1.800 . 6.000 3.101 2.914 3.217 . 0 0 "[ . 1 . 2]" 1
276 1 30 ALA MB 1 31 ASN HB3 1.800 . 6.000 5.241 4.619 5.523 . 0 0 "[ . 1 . 2]" 1
277 1 30 ALA MB 1 31 ASN HB2 1.800 . 6.000 4.115 3.769 4.392 . 0 0 "[ . 1 . 2]" 1
278 1 32 LYS H 1 32 LYS QG 1.800 . 5.500 3.933 2.425 4.208 . 0 0 "[ . 1 . 2]" 1
279 1 33 LEU H 1 33 LEU HB3 1.800 . 2.800 2.610 2.348 2.827 0.027 10 0 "[ . 1 . 2]" 1
280 1 33 LEU H 1 33 LEU HB2 1.800 . 2.800 2.444 2.242 2.710 . 0 0 "[ . 1 . 2]" 1
281 1 33 LEU H 1 33 LEU HG 1.800 . 5.000 4.376 4.242 4.562 . 0 0 "[ . 1 . 2]" 1
282 1 33 LEU H 1 33 LEU MD1 1.800 . 4.300 4.145 3.915 4.282 . 0 0 "[ . 1 . 2]" 1
283 1 33 LEU H 1 33 LEU MD2 1.800 . 4.300 4.214 3.967 4.283 . 0 0 "[ . 1 . 2]" 1
284 1 33 LEU HA 1 33 LEU HG 1.800 . 3.300 2.802 2.356 3.339 0.039 15 0 "[ . 1 . 2]" 1
285 1 33 LEU HA 1 33 LEU MD1 1.800 . 6.000 3.014 1.957 3.822 . 0 0 "[ . 1 . 2]" 1
286 1 33 LEU HA 1 33 LEU MD2 1.800 . 6.000 3.237 2.313 3.952 . 0 0 "[ . 1 . 2]" 1
287 1 32 LYS HA 1 33 LEU H 1.800 . 2.800 2.924 2.918 2.928 0.128 17 0 "[ . 1 . 2]" 1
288 1 32 LYS QB 1 33 LEU H 1.800 . 5.500 3.745 3.725 4.019 . 0 0 "[ . 1 . 2]" 1
289 1 34 GLU H 1 34 GLU QG 1.800 . 6.000 3.713 1.978 4.080 . 0 0 "[ . 1 . 2]" 1
290 1 33 LEU HA 1 34 GLU H 1.800 . 5.000 2.414 2.286 2.527 . 0 0 "[ . 1 . 2]" 1
291 1 33 LEU HB3 1 34 GLU H 1.800 . 5.000 4.430 4.360 4.518 . 0 0 "[ . 1 . 2]" 1
292 1 33 LEU HB2 1 34 GLU H 1.800 . 5.000 4.632 4.544 4.667 . 0 0 "[ . 1 . 2]" 1
293 1 33 LEU HG 1 34 GLU H 1.800 . 5.000 4.474 4.086 4.872 . 0 0 "[ . 1 . 2]" 1
294 1 33 LEU MD1 1 34 GLU H 1.800 . 6.000 4.631 3.239 5.502 . 0 0 "[ . 1 . 2]" 1
295 1 33 LEU MD2 1 34 GLU H 1.800 . 6.000 4.380 3.225 5.492 . 0 0 "[ . 1 . 2]" 1
296 1 34 GLU HA 1 35 PHE H 1.800 . 3.300 2.707 2.636 2.769 . 0 0 "[ . 1 . 2]" 1
297 1 34 GLU HB3 1 35 PHE H 1.800 . 5.000 2.362 1.964 3.386 . 0 0 "[ . 1 . 2]" 1
298 1 34 GLU HB2 1 35 PHE H 1.800 . 5.000 3.410 1.877 3.712 . 0 0 "[ . 1 . 2]" 1
299 1 36 PRO HA 1 36 PRO QD 1.800 . 6.000 3.437 3.183 3.511 . 0 0 "[ . 1 . 2]" 1
300 1 36 PRO HA 1 37 GLY H 1.800 . 5.000 2.370 2.331 2.427 . 0 0 "[ . 1 . 2]" 1
301 1 37 GLY HA3 1 38 GLY H 1.800 . 3.300 3.254 3.219 3.487 0.187 9 0 "[ . 1 . 2]" 1
302 1 37 GLY HA2 1 38 GLY H 1.800 . 3.300 3.245 2.524 3.336 0.036 17 0 "[ . 1 . 2]" 1
303 1 38 GLY H 1 40 ILE MG 1.800 . 4.300 4.348 3.861 4.433 0.133 15 0 "[ . 1 . 2]" 1
304 1 39 LYS H 1 39 LYS QG 1.800 . 5.500 4.249 4.221 4.285 . 0 0 "[ . 1 . 2]" 1
305 1 38 GLY HA3 1 39 LYS H 1.800 . 5.000 2.923 2.733 3.253 . 0 0 "[ . 1 . 2]" 1
306 1 38 GLY HA2 1 39 LYS H 1.800 . 5.000 2.298 2.156 2.432 . 0 0 "[ . 1 . 2]" 1
307 1 40 ILE H 1 40 ILE QG 1.800 . 5.500 2.723 2.634 2.852 . 0 0 "[ . 1 . 2]" 1
308 1 40 ILE H 1 40 ILE MG 1.800 . 4.300 2.004 1.939 2.057 . 0 0 "[ . 1 . 2]" 1
309 1 40 ILE H 1 40 ILE MD 1.800 . 6.000 4.200 4.118 4.283 . 0 0 "[ . 1 . 2]" 1
310 1 40 ILE HA 1 40 ILE QG 1.800 . 3.800 3.308 3.284 3.322 . 0 0 "[ . 1 . 2]" 1
311 1 40 ILE HA 1 40 ILE MG 1.800 . 3.800 2.402 2.339 2.467 . 0 0 "[ . 1 . 2]" 1
312 1 40 ILE HA 1 40 ILE MD 1.800 . 6.000 3.972 3.912 4.062 . 0 0 "[ . 1 . 2]" 1
313 1 40 ILE HB 1 40 ILE MD 1.800 . 4.300 2.185 2.088 2.249 . 0 0 "[ . 1 . 2]" 1
314 1 39 LYS HA 1 40 ILE H 1.800 . 3.300 3.249 3.179 3.294 . 0 0 "[ . 1 . 2]" 1
315 1 39 LYS QB 1 40 ILE H 1.800 . 3.800 3.474 3.389 3.621 . 0 0 "[ . 1 . 2]" 1
316 1 39 LYS HG3 1 40 ILE H 1.800 . 5.000 4.634 4.597 4.669 . 0 0 "[ . 1 . 2]" 1
317 1 39 LYS HG2 1 40 ILE H 1.800 . 5.000 5.062 5.047 5.080 0.080 14 0 "[ . 1 . 2]" 1
318 1 39 LYS HG3 1 40 ILE HA 1.800 . 5.000 5.022 4.971 5.071 0.071 5 0 "[ . 1 . 2]" 1
319 1 39 LYS HG2 1 40 ILE HA 1.800 . 5.000 5.008 4.877 5.041 0.041 6 0 "[ . 1 . 2]" 1
320 1 41 GLU H 1 41 GLU HB3 1.800 . 3.800 2.706 2.580 2.807 . 0 0 "[ . 1 . 2]" 1
321 1 41 GLU H 1 41 GLU HB2 1.800 . 3.800 3.562 3.549 3.574 . 0 0 "[ . 1 . 2]" 1
322 1 41 GLU H 1 41 GLU HG3 1.800 . 5.000 1.970 1.952 2.019 . 0 0 "[ . 1 . 2]" 1
323 1 41 GLU H 1 41 GLU HG2 1.800 . 5.000 2.794 2.651 2.901 . 0 0 "[ . 1 . 2]" 1
324 1 41 GLU HA 1 41 GLU HG3 1.800 . 3.800 3.527 3.518 3.535 . 0 0 "[ . 1 . 2]" 1
325 1 40 ILE HA 1 41 GLU H 1.800 . 3.300 3.407 3.396 3.417 0.117 15 0 "[ . 1 . 2]" 1
326 1 40 ILE QG 1 41 GLU H 1.800 . 5.500 2.127 1.981 2.341 . 0 0 "[ . 1 . 2]" 1
327 1 40 ILE MD 1 41 GLU H 1.800 . 6.000 3.844 3.665 4.050 . 0 0 "[ . 1 . 2]" 1
328 1 40 ILE QG 1 41 GLU HB3 1.800 . 5.000 3.676 3.484 3.905 . 0 0 "[ . 1 . 2]" 1
329 1 40 ILE QG 1 41 GLU HB2 1.800 . 5.000 4.745 4.643 4.839 . 0 0 "[ . 1 . 2]" 1
330 1 39 LYS H 1 41 GLU HG3 1.800 . 3.800 3.875 3.857 3.909 0.109 13 0 "[ . 1 . 2]" 1
331 1 39 LYS H 1 41 GLU HG2 1.800 . 3.800 3.838 3.811 3.866 0.066 13 0 "[ . 1 . 2]" 1
332 1 42 MET H 1 42 MET QG 1.800 . 3.800 2.576 2.063 3.394 . 0 0 "[ . 1 . 2]" 1
333 1 42 MET HA 1 42 MET QG 1.800 . 3.800 2.402 2.037 2.785 . 0 0 "[ . 1 . 2]" 1
334 1 41 GLU HB3 1 42 MET H 1.800 . 5.000 3.722 3.570 3.806 . 0 0 "[ . 1 . 2]" 1
335 1 41 GLU HB2 1 42 MET H 1.800 . 5.000 2.899 2.453 3.245 . 0 0 "[ . 1 . 2]" 1
336 1 41 GLU HG3 1 42 MET H 1.800 . 3.300 1.961 1.858 2.168 . 0 0 "[ . 1 . 2]" 1
337 1 41 GLU HG2 1 42 MET H 1.800 . 3.300 3.411 3.393 3.427 0.127 16 0 "[ . 1 . 2]" 1
338 1 42 MET HA 1 43 GLY H 1.800 . 5.000 3.542 3.519 3.562 . 0 0 "[ . 1 . 2]" 1
339 1 42 MET QB 1 43 GLY H 1.800 . 5.500 1.914 1.858 1.936 . 0 0 "[ . 1 . 2]" 1
340 1 42 MET QG 1 43 GLY H 1.800 . 3.800 3.814 3.806 3.834 0.034 18 0 "[ . 1 . 2]" 1
341 1 44 GLU H 1 44 GLU QG 1.800 . 3.800 3.739 3.260 3.803 0.003 12 0 "[ . 1 . 2]" 1
342 1 43 GLY H 1 44 GLU H 1.800 . 2.800 1.910 1.861 1.944 . 0 0 "[ . 1 . 2]" 1
343 1 43 GLY HA3 1 44 GLU H 1.800 . 3.300 3.465 3.449 3.477 0.177 14 0 "[ . 1 . 2]" 1
344 1 43 GLY HA2 1 44 GLU H 1.800 . 3.300 2.898 2.852 2.959 . 0 0 "[ . 1 . 2]" 1
345 1 42 MET QB 1 44 GLU H 1.800 . 5.500 3.389 3.281 3.552 . 0 0 "[ . 1 . 2]" 1
346 1 40 ILE MD 1 44 GLU H 1.800 . 6.000 5.135 4.805 5.526 . 0 0 "[ . 1 . 2]" 1
347 1 40 ILE QG 1 44 GLU H 1.800 . 5.500 5.555 5.524 5.599 0.099 15 0 "[ . 1 . 2]" 1
348 1 45 THR H 1 45 THR MG 1.800 . 3.800 3.673 3.645 3.716 . 0 0 "[ . 1 . 2]" 1
349 1 45 THR HA 1 45 THR MG 1.800 . 4.300 2.043 1.985 2.062 . 0 0 "[ . 1 . 2]" 1
350 1 44 GLU H 1 45 THR H 1.800 . 5.000 4.458 4.413 4.483 . 0 0 "[ . 1 . 2]" 1
351 1 44 GLU HA 1 45 THR H 1.800 . 5.000 2.699 2.625 2.793 . 0 0 "[ . 1 . 2]" 1
352 1 44 GLU QB 1 45 THR H 1.800 . 3.300 1.946 1.908 1.982 . 0 0 "[ . 1 . 2]" 1
353 1 44 GLU QG 1 45 THR H 1.800 . 3.300 3.012 2.798 3.300 . 10 0 "[ . 1 . 2]" 1
354 1 46 PRO HA 1 46 PRO HD3 1.800 . 5.000 3.149 3.136 3.198 . 0 0 "[ . 1 . 2]" 1
355 1 46 PRO HA 1 46 PRO HD2 1.800 . 5.000 3.993 3.989 4.011 . 0 0 "[ . 1 . 2]" 1
356 1 45 THR MG 1 46 PRO HB3 1.800 . 5.000 5.038 5.028 5.059 0.059 18 0 "[ . 1 . 2]" 1
357 1 45 THR MG 1 46 PRO HB2 1.800 . 5.000 4.762 4.707 5.000 0.000 18 0 "[ . 1 . 2]" 1
358 1 45 THR MG 1 46 PRO QG 1.800 . 5.500 2.846 2.813 3.021 . 0 0 "[ . 1 . 2]" 1
359 1 45 THR HA 1 46 PRO HA 1.800 . 5.000 4.403 4.397 4.405 . 0 0 "[ . 1 . 2]" 1
360 1 46 PRO HA 1 47 GLU H 1.800 . 5.000 3.500 3.497 3.504 . 0 0 "[ . 1 . 2]" 1
361 1 46 PRO HB3 1 47 GLU H 1.800 . 5.000 4.279 4.273 4.286 . 0 0 "[ . 1 . 2]" 1
362 1 46 PRO HB2 1 47 GLU H 1.800 . 5.000 3.262 3.246 3.307 . 0 0 "[ . 1 . 2]" 1
363 1 46 PRO HG3 1 47 GLU H 1.800 . 5.000 4.421 4.348 4.437 . 0 0 "[ . 1 . 2]" 1
364 1 46 PRO HG2 1 47 GLU H 1.800 . 5.000 3.013 2.899 3.035 . 0 0 "[ . 1 . 2]" 1
365 1 48 GLN H 1 48 GLN QG 1.800 . 3.300 2.571 1.940 3.071 . 0 0 "[ . 1 . 2]" 1
366 1 48 GLN HA 1 48 GLN QG 1.800 . 5.500 2.630 2.083 3.339 . 0 0 "[ . 1 . 2]" 1
367 1 47 GLU QB 1 48 GLN H 1.800 . 5.500 2.612 2.212 2.754 . 0 0 "[ . 1 . 2]" 1
368 1 48 GLN HA 1 51 VAL MG2 1.800 . 5.500 2.943 2.708 3.190 . 0 0 "[ . 1 . 2]" 1
369 1 49 ALA H 1 49 ALA MB 1.800 . 3.800 2.173 2.031 2.241 . 0 0 "[ . 1 . 2]" 1
370 1 48 GLN QB 1 49 ALA H 1.800 . 5.500 3.305 2.856 3.865 . 0 0 "[ . 1 . 2]" 1
371 1 48 GLN QG 1 49 ALA H 1.800 . 5.500 4.119 2.527 4.609 . 0 0 "[ . 1 . 2]" 1
372 1 47 GLU HB3 1 49 ALA H 1.800 . 5.000 4.876 4.466 5.007 0.007 17 0 "[ . 1 . 2]" 1
373 1 47 GLU HB2 1 49 ALA H 1.800 . 5.000 4.950 4.695 5.006 0.006 4 0 "[ . 1 . 2]" 1
374 1 46 PRO HA 1 49 ALA MB 1.800 . 6.000 3.102 2.683 3.224 . 0 0 "[ . 1 . 2]" 1
375 1 48 GLN QB 1 49 ALA MB 1.800 . 6.000 4.425 4.072 4.983 . 0 0 "[ . 1 . 2]" 1
376 1 48 GLN QG 1 49 ALA MB 1.800 . 6.000 5.228 3.402 5.750 . 0 0 "[ . 1 . 2]" 1
377 1 50 VAL H 1 50 VAL MG1 1.800 . 6.000 1.964 1.841 2.129 . 0 0 "[ . 1 . 2]" 1
378 1 50 VAL H 1 50 VAL MG2 1.800 . 3.800 2.920 2.437 3.728 . 0 0 "[ . 1 . 2]" 1
379 1 50 VAL HA 1 50 VAL MG1 1.800 . 3.800 2.750 2.511 3.177 . 0 0 "[ . 1 . 2]" 1
380 1 50 VAL HA 1 50 VAL MG2 1.800 . 6.000 3.018 2.494 3.181 . 0 0 "[ . 1 . 2]" 1
381 1 49 ALA HA 1 50 VAL H 1.800 . 5.000 3.560 3.542 3.571 . 0 0 "[ . 1 . 2]" 1
382 1 49 ALA MB 1 50 VAL H 1.800 . 4.300 2.307 2.191 2.530 . 0 0 "[ . 1 . 2]" 1
383 1 49 ALA MB 1 50 VAL MG1 1.800 . 5.300 2.671 2.387 3.265 . 0 0 "[ . 1 . 2]" 1
384 1 49 ALA MB 1 50 VAL MG2 1.800 . 5.300 4.421 4.024 4.919 . 0 0 "[ . 1 . 2]" 1
385 1 51 VAL H 1 51 VAL HB 1.800 . 3.300 2.657 2.614 2.697 . 0 0 "[ . 1 . 2]" 1
386 1 51 VAL H 1 51 VAL MG1 1.800 . 7.000 3.761 3.753 3.772 . 0 0 "[ . 1 . 2]" 1
387 1 51 VAL H 1 51 VAL MG2 1.800 . 7.000 1.920 1.901 1.952 . 0 0 "[ . 1 . 2]" 1
388 1 51 VAL HA 1 51 VAL MG1 1.800 . 5.300 2.269 2.236 2.378 . 0 0 "[ . 1 . 2]" 1
389 1 51 VAL HA 1 51 VAL MG2 1.800 . 5.300 2.460 2.404 2.473 . 0 0 "[ . 1 . 2]" 1
390 1 50 VAL MG1 1 51 VAL H 1.800 . 6.000 3.030 1.839 3.544 . 0 0 "[ . 1 . 2]" 1
391 1 50 VAL MG2 1 51 VAL H 1.800 . 4.300 2.075 1.830 3.027 . 0 0 "[ . 1 . 2]" 1
392 1 48 GLN HA 1 51 VAL HA 1.800 . 5.000 5.027 5.008 5.059 0.059 16 0 "[ . 1 . 2]" 1
393 1 48 GLN H 1 51 VAL MG1 1.800 . 6.000 5.989 5.844 6.027 0.027 9 0 "[ . 1 . 2]" 1
394 1 48 GLN QB 1 51 VAL MG1 1.800 . 6.500 4.737 4.323 4.964 . 0 0 "[ . 1 . 2]" 1
395 1 48 GLN QG 1 51 VAL MG1 1.800 . 6.500 4.713 3.789 5.961 . 0 0 "[ . 1 . 2]" 1
396 1 50 VAL H 1 51 VAL MG1 1.800 . 6.000 5.767 5.738 5.811 . 0 0 "[ . 1 . 2]" 1
397 1 50 VAL MG2 1 51 VAL MG1 1.800 . 7.000 4.071 3.927 4.554 . 0 0 "[ . 1 . 2]" 1
398 1 52 ARG H 1 52 ARG QB 1.800 . 3.800 2.312 2.176 2.426 . 0 0 "[ . 1 . 2]" 1
399 1 52 ARG H 1 52 ARG QG 1.800 . 5.500 3.316 2.349 4.072 . 0 0 "[ . 1 . 2]" 1
400 1 52 ARG HA 1 52 ARG QG 1.800 . 3.800 2.433 2.067 2.870 . 0 0 "[ . 1 . 2]" 1
401 1 51 VAL HB 1 52 ARG H 1.800 . 3.300 2.683 2.535 2.757 . 0 0 "[ . 1 . 2]" 1
402 1 51 VAL MG1 1 52 ARG H 1.800 . 3.800 3.646 3.528 3.715 . 0 0 "[ . 1 . 2]" 1
403 1 51 VAL MG1 1 52 ARG HA 1.800 . 4.300 3.715 3.612 3.790 . 0 0 "[ . 1 . 2]" 1
404 1 51 VAL MG1 1 52 ARG QG 1.800 . 6.500 4.418 3.429 5.498 . 0 0 "[ . 1 . 2]" 1
405 1 50 VAL MG2 1 52 ARG HA 1.800 . 6.000 6.111 6.081 6.148 0.148 16 0 "[ . 1 . 2]" 1
406 1 49 ALA MB 1 52 ARG QG 1.800 . 6.500 5.749 4.981 6.401 . 0 0 "[ . 1 . 2]" 1
407 1 53 GLU H 1 53 GLU QB 1.800 . 3.800 2.167 2.055 2.322 . 0 0 "[ . 1 . 2]" 1
408 1 53 GLU HA 1 53 GLU QG 1.800 . 3.800 2.519 1.998 2.871 . 0 0 "[ . 1 . 2]" 1
409 1 52 ARG QB 1 53 GLU H 1.800 . 5.500 2.421 2.318 2.691 . 0 0 "[ . 1 . 2]" 1
410 1 54 LEU H 1 54 LEU QB 1.800 . 3.800 2.071 2.016 2.224 . 0 0 "[ . 1 . 2]" 1
411 1 54 LEU H 1 54 LEU HG 1.800 . 5.000 4.409 4.221 4.568 . 0 0 "[ . 1 . 2]" 1
412 1 54 LEU H 1 54 LEU MD1 1.800 . 4.300 3.173 2.620 4.100 . 0 0 "[ . 1 . 2]" 1
413 1 54 LEU H 1 54 LEU MD2 1.800 . 6.000 4.150 3.809 4.385 . 0 0 "[ . 1 . 2]" 1
414 1 54 LEU HA 1 54 LEU HG 1.800 . 2.800 2.573 2.218 2.893 0.093 16 0 "[ . 1 . 2]" 1
415 1 54 LEU HA 1 54 LEU MD1 1.800 . 4.300 2.295 1.955 2.861 . 0 0 "[ . 1 . 2]" 1
416 1 54 LEU HA 1 54 LEU MD2 1.800 . 4.300 3.751 3.632 3.917 . 0 0 "[ . 1 . 2]" 1
417 1 54 LEU HB3 1 54 LEU MD1 1.800 . 6.000 3.158 3.079 3.187 . 0 0 "[ . 1 . 2]" 1
418 1 54 LEU HB3 1 54 LEU MD2 1.800 . 6.000 2.229 2.010 2.492 . 0 0 "[ . 1 . 2]" 1
419 1 54 LEU HB2 1 54 LEU MD1 1.800 . 6.000 2.244 1.975 2.481 . 0 0 "[ . 1 . 2]" 1
420 1 54 LEU HB2 1 54 LEU MD2 1.800 . 6.000 2.423 2.114 2.714 . 0 0 "[ . 1 . 2]" 1
421 1 51 VAL HA 1 54 LEU HG 1.800 . 5.000 5.031 4.869 5.095 0.095 16 0 "[ . 1 . 2]" 1
422 1 53 GLU QB 1 54 LEU MD1 1.800 . 6.500 4.123 3.431 5.145 . 0 0 "[ . 1 . 2]" 1
423 1 53 GLU QB 1 54 LEU H 1.800 . 3.800 3.044 2.966 3.104 . 0 0 "[ . 1 . 2]" 1
424 1 50 VAL MG2 1 54 LEU HG 1.800 . 6.000 4.804 4.117 5.483 . 0 0 "[ . 1 . 2]" 1
425 1 50 VAL MG2 1 54 LEU MD1 1.800 . 6.000 2.543 1.772 3.454 0.028 19 0 "[ . 1 . 2]" 1
426 1 55 GLN H 1 55 GLN HB3 1.800 . 3.300 2.989 2.398 3.305 0.005 16 0 "[ . 1 . 2]" 1
427 1 55 GLN H 1 55 GLN QG 1.800 . 5.500 3.762 3.352 3.989 . 0 0 "[ . 1 . 2]" 1
428 1 55 GLN HA 1 55 GLN QG 1.800 . 3.800 2.256 2.025 2.632 . 0 0 "[ . 1 . 2]" 1
429 1 54 LEU QB 1 55 GLN H 1.800 . 3.800 2.551 2.426 2.637 . 0 0 "[ . 1 . 2]" 1
430 1 54 LEU HG 1 55 GLN H 1.800 . 5.000 4.596 3.755 4.909 . 0 0 "[ . 1 . 2]" 1
431 1 54 LEU MD1 1 55 GLN H 1.800 . 6.000 4.608 4.417 4.744 . 0 0 "[ . 1 . 2]" 1
432 1 54 LEU MD2 1 55 GLN H 1.800 . 6.000 4.418 3.846 4.611 . 0 0 "[ . 1 . 2]" 1
433 1 55 GLN HA 1 58 VAL QG 1.800 . 7.000 3.554 2.244 3.957 . 0 0 "[ . 1 . 2]" 1
434 1 56 GLU H 1 56 GLU HB3 1.800 . 3.300 2.691 2.456 2.939 . 0 0 "[ . 1 . 2]" 1
435 1 56 GLU H 1 56 GLU HB2 1.800 . 3.300 2.398 2.190 2.625 . 0 0 "[ . 1 . 2]" 1
436 1 56 GLU H 1 56 GLU QG 1.800 . 5.500 3.926 3.781 4.001 . 0 0 "[ . 1 . 2]" 1
437 1 56 GLU HA 1 56 GLU QG 1.800 . 3.800 2.273 2.084 2.465 . 0 0 "[ . 1 . 2]" 1
438 1 55 GLN HA 1 56 GLU H 1.800 . 5.000 3.479 3.460 3.501 . 0 0 "[ . 1 . 2]" 1
439 1 55 GLN HB3 1 56 GLU H 1.800 . 5.000 3.049 2.735 3.337 . 0 0 "[ . 1 . 2]" 1
440 1 55 GLN HB2 1 56 GLU H 1.800 . 5.000 3.521 3.143 4.113 . 0 0 "[ . 1 . 2]" 1
441 1 55 GLN QG 1 56 GLU H 1.800 . 5.500 4.279 3.702 4.607 . 0 0 "[ . 1 . 2]" 1
442 1 53 GLU HA 1 56 GLU QG 1.800 . 5.500 4.230 3.736 4.542 . 0 0 "[ . 1 . 2]" 1
443 1 53 GLU QG 1 56 GLU HB3 1.800 . 5.000 3.747 2.236 4.630 . 0 0 "[ . 1 . 2]" 1
444 1 53 GLU QG 1 56 GLU HB2 1.800 . 5.000 4.383 3.224 5.012 0.012 19 0 "[ . 1 . 2]" 1
445 1 57 GLU H 1 57 GLU QB 1.800 . 3.800 2.386 2.264 2.882 . 0 0 "[ . 1 . 2]" 1
446 1 57 GLU H 1 57 GLU QG 1.800 . 5.500 3.477 1.966 4.042 . 0 0 "[ . 1 . 2]" 1
447 1 57 GLU HA 1 57 GLU QG 1.800 . 3.800 2.279 1.964 3.216 . 0 0 "[ . 1 . 2]" 1
448 1 56 GLU HA 1 57 GLU H 1.800 . 5.000 3.494 3.462 3.538 . 0 0 "[ . 1 . 2]" 1
449 1 56 GLU HB3 1 57 GLU H 1.800 . 5.000 2.907 2.655 3.115 . 0 0 "[ . 1 . 2]" 1
450 1 56 GLU HB2 1 57 GLU H 1.800 . 5.000 3.856 3.728 4.048 . 0 0 "[ . 1 . 2]" 1
451 1 56 GLU QG 1 57 GLU H 1.800 . 5.500 4.307 3.649 4.555 . 0 0 "[ . 1 . 2]" 1
452 1 56 GLU HB3 1 57 GLU HA 1.800 . 5.500 4.277 4.177 4.447 . 0 0 "[ . 1 . 2]" 1
453 1 56 GLU HB2 1 57 GLU HA 1.800 . 5.500 5.593 5.543 5.637 0.137 17 0 "[ . 1 . 2]" 1
454 1 55 GLN QB 1 57 GLU H 1.800 . 5.500 4.657 4.478 4.912 . 0 0 "[ . 1 . 2]" 1
455 1 54 LEU MD2 1 57 GLU H 1.800 . 6.000 6.077 6.005 6.156 0.156 7 0 "[ . 1 . 2]" 1
456 1 54 LEU HA 1 57 GLU QG 1.800 . 5.500 4.820 2.690 5.517 0.017 13 0 "[ . 1 . 2]" 1
457 1 58 VAL H 1 58 VAL HB 1.800 . 3.300 2.854 2.637 3.333 0.033 16 0 "[ . 1 . 2]" 1
458 1 58 VAL H 1 58 VAL MG1 1.800 . 7.000 3.846 3.071 3.963 . 0 0 "[ . 1 . 2]" 1
459 1 58 VAL H 1 58 VAL MG2 1.800 . 7.000 2.956 2.391 3.852 . 0 0 "[ . 1 . 2]" 1
460 1 58 VAL HA 1 58 VAL MG1 1.800 . 7.000 2.354 1.971 3.039 . 0 0 "[ . 1 . 2]" 1
461 1 58 VAL HA 1 58 VAL MG2 1.800 . 7.000 2.417 2.090 2.875 . 0 0 "[ . 1 . 2]" 1
462 1 57 GLU QB 1 58 VAL H 1.800 . 5.500 3.534 3.492 3.603 . 0 0 "[ . 1 . 2]" 1
463 1 57 GLU QG 1 58 VAL H 1.800 . 5.500 4.638 3.986 4.959 . 0 0 "[ . 1 . 2]" 1
464 1 57 GLU QG 1 58 VAL MG2 1.800 . 7.000 4.618 3.637 5.833 . 0 0 "[ . 1 . 2]" 1
465 1 57 GLU QB 1 58 VAL MG2 1.800 . 7.000 3.038 2.722 4.183 . 0 0 "[ . 1 . 2]" 1
466 1 59 GLY H 1 59 GLY HA2 1.800 . 2.800 2.275 2.269 2.282 . 0 0 "[ . 1 . 2]" 1
467 1 58 VAL HB 1 59 GLY H 1.800 . 3.300 2.607 2.490 3.205 . 0 0 "[ . 1 . 2]" 1
468 1 58 VAL MG1 1 59 GLY H 1.800 . 7.000 3.426 2.071 4.085 . 0 0 "[ . 1 . 2]" 1
469 1 58 VAL MG1 1 59 GLY HA3 1.800 . 7.000 4.446 3.710 5.244 . 0 0 "[ . 1 . 2]" 1
470 1 58 VAL MG1 1 59 GLY HA2 1.800 . 7.000 4.604 3.371 5.552 . 0 0 "[ . 1 . 2]" 1
471 1 55 GLN HA 1 59 GLY HA3 1.800 . 5.000 4.745 4.203 5.021 0.021 16 0 "[ . 1 . 2]" 1
472 1 55 GLN HA 1 59 GLY HA2 1.800 . 5.000 3.379 2.763 3.795 . 0 0 "[ . 1 . 2]" 1
473 1 58 VAL MG2 1 59 GLY HA3 1.800 . 7.000 5.570 5.145 5.701 . 0 0 "[ . 1 . 2]" 1
474 1 58 VAL MG2 1 59 GLY HA2 1.800 . 7.000 5.501 4.739 5.796 . 0 0 "[ . 1 . 2]" 1
475 1 60 ILE H 1 60 ILE HB 1.800 . 3.300 3.272 2.405 3.552 0.252 14 0 "[ . 1 . 2]" 1
476 1 60 ILE H 1 60 ILE QG 1.800 . 5.500 2.341 1.733 4.127 0.067 17 0 "[ . 1 . 2]" 1
477 1 60 ILE H 1 60 ILE MD 1.800 . 6.000 3.396 1.878 4.359 . 0 0 "[ . 1 . 2]" 1
478 1 60 ILE HA 1 60 ILE MD 1.800 . 6.000 3.802 1.801 4.178 . 0 0 "[ . 1 . 2]" 1
479 1 59 GLY HA3 1 60 ILE H 1.800 . 5.000 2.904 2.761 3.444 . 0 0 "[ . 1 . 2]" 1
480 1 59 GLY HA2 1 60 ILE H 1.800 . 3.300 3.457 3.190 3.495 0.195 15 0 "[ . 1 . 2]" 1
481 1 58 VAL MG1 1 60 ILE H 1.800 . 5.000 2.433 1.843 3.529 . 0 0 "[ . 1 . 2]" 1
482 1 58 VAL MG2 1 60 ILE H 1.800 . 5.000 4.463 3.648 4.662 . 0 0 "[ . 1 . 2]" 1
483 1 58 VAL MG1 1 60 ILE MD 1.800 . 7.000 2.551 1.697 4.769 0.103 9 0 "[ . 1 . 2]" 1
484 1 58 VAL MG2 1 60 ILE MG 1.800 . 7.000 5.333 3.776 6.368 . 0 0 "[ . 1 . 2]" 1
485 1 58 VAL MG1 1 60 ILE HB 1.800 . 6.000 3.596 3.143 4.415 . 0 0 "[ . 1 . 2]" 1
486 1 58 VAL MG2 1 60 ILE HB 1.800 . 6.000 5.971 4.691 6.115 0.115 2 0 "[ . 1 . 2]" 1
487 1 61 THR H 1 61 THR HB 1.800 . 3.300 3.433 3.195 3.483 0.183 9 0 "[ . 1 . 2]" 1
488 1 61 THR H 1 61 THR MG 1.800 . 6.000 3.062 1.793 3.318 0.007 3 0 "[ . 1 . 2]" 1
489 1 61 THR HA 1 61 THR MG 1.800 . 4.300 2.315 2.199 3.195 . 0 0 "[ . 1 . 2]" 1
490 1 60 ILE HA 1 61 THR H 1.800 . 3.300 2.609 2.396 2.767 . 0 0 "[ . 1 . 2]" 1
491 1 60 ILE HB 1 61 THR H 1.800 . 5.000 2.342 1.857 3.842 . 0 0 "[ . 1 . 2]" 1
492 1 60 ILE MG 1 61 THR H 1.800 . 6.000 2.958 2.327 3.836 . 0 0 "[ . 1 . 2]" 1
493 1 62 PRO HA 1 62 PRO HD3 1.800 . 5.000 4.058 4.029 4.082 . 0 0 "[ . 1 . 2]" 1
494 1 62 PRO HA 1 62 PRO HD2 1.800 . 5.000 3.898 3.840 3.936 . 0 0 "[ . 1 . 2]" 1
495 1 63 GLN H 1 63 GLN HG3 1.800 . 3.800 2.346 1.947 4.058 0.258 16 0 "[ . 1 . 2]" 1
496 1 63 GLN H 1 63 GLN HG2 1.800 . 3.800 3.389 1.953 3.810 0.010 7 0 "[ . 1 . 2]" 1
497 1 62 PRO HA 1 63 GLN H 1.800 . 5.000 2.253 2.197 2.275 . 0 0 "[ . 1 . 2]" 1
498 1 62 PRO QB 1 63 GLN H 1.800 . 5.000 3.065 2.908 3.250 . 0 0 "[ . 1 . 2]" 1
499 1 62 PRO QG 1 63 GLN H 1.800 . 5.000 4.376 4.289 4.575 . 0 0 "[ . 1 . 2]" 1
500 1 62 PRO QD 1 63 GLN H 1.800 . 5.000 4.679 4.602 4.736 . 0 0 "[ . 1 . 2]" 1
501 1 64 HIS H 1 64 HIS HB3 1.800 . 3.300 2.352 2.306 2.387 . 0 0 "[ . 1 . 2]" 1
502 1 63 GLN H 1 64 HIS H 1.800 . 3.800 3.806 3.768 3.823 0.023 18 0 "[ . 1 . 2]" 1
503 1 63 GLN HA 1 64 HIS H 1.800 . 5.000 2.256 2.235 2.283 . 0 0 "[ . 1 . 2]" 1
504 1 63 GLN QB 1 64 HIS H 1.800 . 5.500 3.812 3.783 3.995 . 0 0 "[ . 1 . 2]" 1
505 1 63 GLN HG3 1 64 HIS H 1.800 . 5.000 4.951 3.873 5.076 0.076 14 0 "[ . 1 . 2]" 1
506 1 63 GLN HG2 1 64 HIS H 1.800 . 5.000 4.938 4.671 5.056 0.056 16 0 "[ . 1 . 2]" 1
507 1 62 PRO HA 1 64 HIS H 1.800 . 5.000 4.713 4.611 4.768 . 0 0 "[ . 1 . 2]" 1
508 1 62 PRO HB3 1 64 HIS HB3 1.800 . 5.000 4.624 4.466 4.775 . 0 0 "[ . 1 . 2]" 1
509 1 62 PRO HB2 1 64 HIS HB3 1.800 . 5.000 3.287 3.147 3.437 . 0 0 "[ . 1 . 2]" 1
510 1 62 PRO HB3 1 64 HIS HB2 1.800 . 5.000 4.351 4.044 4.602 . 0 0 "[ . 1 . 2]" 1
511 1 62 PRO HB2 1 64 HIS HB2 1.800 . 5.000 2.766 2.389 3.059 . 0 0 "[ . 1 . 2]" 1
512 1 62 PRO HD3 1 64 HIS HB3 1.800 . 5.000 2.017 1.824 2.357 . 0 0 "[ . 1 . 2]" 1
513 1 62 PRO HD3 1 64 HIS HB2 1.800 . 5.500 5.597 5.573 5.623 0.123 1 0 "[ . 1 . 2]" 1
514 1 62 PRO HD2 1 64 HIS HB2 1.800 . 5.500 4.832 4.750 4.904 . 0 0 "[ . 1 . 2]" 1
515 1 65 PHE H 1 65 PHE HB3 1.800 . 3.300 3.328 3.254 3.373 0.073 11 0 "[ . 1 . 2]" 1
516 1 65 PHE H 1 65 PHE QD 1.800 . 6.400 4.420 4.360 4.536 . 0 0 "[ . 1 . 2]" 1
517 1 65 PHE HA 1 65 PHE QD 1.800 . 8.100 2.265 1.953 3.066 . 0 0 "[ . 1 . 2]" 1
518 1 64 HIS HA 1 65 PHE H 1.800 . 2.800 2.173 2.149 2.215 . 0 0 "[ . 1 . 2]" 1
519 1 64 HIS H 1 65 PHE H 1.800 . 5.000 4.368 4.331 4.420 . 0 0 "[ . 1 . 2]" 1
520 1 64 HIS H 1 65 PHE QD 1.800 . 7.100 5.382 4.903 5.643 . 0 0 "[ . 1 . 2]" 1
521 1 64 HIS HA 1 65 PHE QD 1.800 . 7.100 5.612 5.440 5.776 . 0 0 "[ . 1 . 2]" 1
522 1 65 PHE HA 1 66 SER H 1.800 . 3.300 2.963 2.336 3.500 0.200 8 0 "[ . 1 . 2]" 1
523 1 65 PHE HB3 1 66 SER H 1.800 . 5.000 2.382 1.776 3.386 0.024 5 0 "[ . 1 . 2]" 1
524 1 65 PHE HB2 1 66 SER H 1.800 . 5.000 3.542 3.265 4.062 . 0 0 "[ . 1 . 2]" 1
525 1 65 PHE QD 1 66 SER H 1.800 . 8.100 2.844 2.066 4.308 . 0 0 "[ . 1 . 2]" 1
526 1 67 LEU H 1 67 LEU QB 1.800 . 3.300 2.696 2.432 3.232 . 0 0 "[ . 1 . 2]" 1
527 1 67 LEU H 1 67 LEU HG 1.800 . 5.000 3.533 2.371 4.720 . 0 0 "[ . 1 . 2]" 1
528 1 67 LEU H 1 67 LEU MD2 1.800 . 3.800 3.682 2.544 4.026 0.226 4 0 "[ . 1 . 2]" 1
529 1 67 LEU H 1 67 LEU MD1 1.800 . 6.000 4.222 3.772 4.703 . 0 0 "[ . 1 . 2]" 1
530 1 66 SER HA 1 67 LEU H 1.800 . 2.800 2.455 2.306 2.781 . 0 0 "[ . 1 . 2]" 1
531 1 66 SER QB 1 67 LEU H 1.800 . 3.800 2.582 2.099 3.181 . 0 0 "[ . 1 . 2]" 1
532 1 68 PHE H 1 68 PHE QE 1.800 . 7.100 5.407 4.544 5.861 . 0 0 "[ . 1 . 2]" 1
533 1 68 PHE H 1 68 PHE QD 1.800 . 5.400 3.279 2.949 3.703 . 0 0 "[ . 1 . 2]" 1
534 1 68 PHE HA 1 68 PHE QD 1.800 . 7.100 3.467 3.262 3.668 . 0 0 "[ . 1 . 2]" 1
535 1 67 LEU HA 1 68 PHE H 1.800 . 3.300 2.152 2.125 2.201 . 0 0 "[ . 1 . 2]" 1
536 1 67 LEU MD1 1 68 PHE H 1.800 . 6.000 3.919 3.037 4.750 . 0 0 "[ . 1 . 2]" 1
537 1 67 LEU MD2 1 68 PHE H 1.800 . 6.000 4.263 1.895 5.220 . 0 0 "[ . 1 . 2]" 1
538 1 67 LEU HG 1 68 PHE H 1.800 . 5.000 4.014 2.766 4.636 . 0 0 "[ . 1 . 2]" 1
539 1 67 LEU HB3 1 68 PHE H 1.800 . 5.000 4.331 3.932 4.443 . 0 0 "[ . 1 . 2]" 1
540 1 67 LEU HB2 1 68 PHE H 1.800 . 5.000 3.792 3.071 4.449 . 0 0 "[ . 1 . 2]" 1
541 1 67 LEU MD1 1 68 PHE QD 1.800 . 7.100 5.029 4.131 5.810 . 0 0 "[ . 1 . 2]" 1
542 1 67 LEU MD1 1 68 PHE QE 1.800 . 7.100 6.302 5.481 7.124 0.024 20 0 "[ . 1 . 2]" 1
543 1 69 GLU H 1 69 GLU HG3 1.800 . 5.000 4.515 3.943 5.001 0.001 7 0 "[ . 1 . 2]" 1
544 1 69 GLU H 1 69 GLU HG2 1.800 . 5.000 4.699 4.188 5.042 0.042 17 0 "[ . 1 . 2]" 1
545 1 69 GLU HA 1 69 GLU HG3 1.800 . 3.300 2.713 2.159 3.300 0.000 14 0 "[ . 1 . 2]" 1
546 1 69 GLU HA 1 69 GLU HG2 1.800 . 3.300 2.455 2.041 3.037 . 0 0 "[ . 1 . 2]" 1
547 1 68 PHE HA 1 69 GLU H 1.800 . 5.000 3.534 3.496 3.569 . 0 0 "[ . 1 . 2]" 1
548 1 68 PHE H 1 69 GLU H 1.800 . 3.300 2.466 2.216 2.586 . 0 0 "[ . 1 . 2]" 1
549 1 68 PHE HB3 1 69 GLU H 1.800 . 5.000 3.076 2.601 3.848 . 0 0 "[ . 1 . 2]" 1
550 1 68 PHE HB2 1 69 GLU H 1.800 . 5.000 4.006 3.873 4.179 . 0 0 "[ . 1 . 2]" 1
551 1 68 PHE QD 1 69 GLU H 1.800 . 5.400 2.107 1.884 2.871 . 0 0 "[ . 1 . 2]" 1
552 1 67 LEU HA 1 69 GLU H 1.800 . 5.000 3.999 3.750 4.264 . 0 0 "[ . 1 . 2]" 1
553 1 67 LEU HG 1 69 GLU H 1.800 . 5.000 4.297 2.935 5.023 0.023 16 0 "[ . 1 . 2]" 1
554 1 67 LEU MD1 1 69 GLU H 1.800 . 6.000 3.465 2.489 4.414 . 0 0 "[ . 1 . 2]" 1
555 1 67 LEU MD2 1 69 GLU H 1.800 . 6.000 4.105 2.250 5.569 . 0 0 "[ . 1 . 2]" 1
556 1 70 LYS H 1 70 LYS QB 1.800 . 3.800 3.070 2.535 3.227 . 0 0 "[ . 1 . 2]" 1
557 1 70 LYS H 1 70 LYS QG 1.800 . 5.500 2.347 1.934 4.210 . 0 0 "[ . 1 . 2]" 1
558 1 70 LYS HA 1 70 LYS QE 1.800 . 5.500 5.023 4.253 5.520 0.020 17 0 "[ . 1 . 2]" 1
559 1 69 GLU QB 1 70 LYS H 1.800 . 3.300 3.242 3.030 3.332 0.032 19 0 "[ . 1 . 2]" 1
560 1 69 GLU HA 1 70 LYS QB 1.800 . 5.500 4.382 3.851 4.650 . 0 0 "[ . 1 . 2]" 1
561 1 69 GLU HA 1 70 LYS QG 1.800 . 5.500 3.805 3.344 5.538 0.038 11 0 "[ . 1 . 2]" 1
562 1 68 PHE QE 1 70 LYS HA 1.800 . 5.400 5.366 5.183 5.437 0.037 15 0 "[ . 1 . 2]" 1
563 1 68 PHE QD 1 70 LYS HA 1.800 . 7.100 5.291 4.976 6.044 . 0 0 "[ . 1 . 2]" 1
564 1 71 LEU H 1 71 LEU QB 1.800 . 3.800 2.573 2.171 3.200 . 0 0 "[ . 1 . 2]" 1
565 1 71 LEU H 1 71 LEU HG 1.800 . 4.300 3.611 1.972 4.383 0.083 19 0 "[ . 1 . 2]" 1
566 1 71 LEU H 1 71 LEU MD1 1.800 . 6.000 3.745 1.822 4.531 . 0 0 "[ . 1 . 2]" 1
567 1 71 LEU H 1 71 LEU MD2 1.800 . 6.000 3.823 1.944 4.455 . 0 0 "[ . 1 . 2]" 1
568 1 71 LEU HA 1 71 LEU MD1 1.800 . 6.000 3.149 2.490 3.711 . 0 0 "[ . 1 . 2]" 1
569 1 71 LEU HA 1 71 LEU MD2 1.800 . 6.000 3.810 2.821 4.094 . 0 0 "[ . 1 . 2]" 1
570 1 71 LEU QB 1 71 LEU MD1 1.800 . 4.300 2.133 2.065 2.460 . 0 0 "[ . 1 . 2]" 1
571 1 71 LEU QB 1 71 LEU MD2 1.800 . 4.300 2.056 1.952 2.344 . 0 0 "[ . 1 . 2]" 1
572 1 70 LYS QG 1 71 LEU H 1.800 . 5.500 4.370 3.201 4.853 . 0 0 "[ . 1 . 2]" 1
573 1 70 LYS QB 1 71 LEU H 1.800 . 5.500 3.416 3.094 3.918 . 0 0 "[ . 1 . 2]" 1
574 1 70 LYS QD 1 71 LEU H 1.800 . 7.000 4.933 3.938 5.766 . 0 0 "[ . 1 . 2]" 1
575 1 72 GLU H 1 72 GLU QG 1.800 . 3.800 3.842 3.801 3.853 0.053 1 0 "[ . 1 . 2]" 1
576 1 72 GLU HA 1 72 GLU QG 1.800 . 5.500 2.637 2.118 2.715 . 0 0 "[ . 1 . 2]" 1
577 1 71 LEU QB 1 72 GLU H 1.800 . 3.800 3.223 2.435 3.812 0.012 6 0 "[ . 1 . 2]" 1
578 1 71 LEU MD2 1 72 GLU H 1.800 . 5.000 4.020 2.190 4.885 . 0 0 "[ . 1 . 2]" 1
579 1 71 LEU MD1 1 72 GLU H 1.800 . 5.000 3.534 2.973 4.797 . 0 0 "[ . 1 . 2]" 1
580 1 73 TYR H 1 73 TYR QB 1.800 . 3.800 3.084 2.960 3.265 . 0 0 "[ . 1 . 2]" 1
581 1 73 TYR H 1 73 TYR QD 1.800 . 7.100 2.130 1.937 2.924 . 0 0 "[ . 1 . 2]" 1
582 1 73 TYR HA 1 73 TYR QD 1.800 . 4.900 3.675 3.557 3.745 . 0 0 "[ . 1 . 2]" 1
583 1 72 GLU QG 1 73 TYR H 1.800 . 3.800 3.190 2.917 3.835 0.035 15 0 "[ . 1 . 2]" 1
584 1 72 GLU QB 1 73 TYR H 1.800 . 5.500 3.857 3.373 3.904 . 0 0 "[ . 1 . 2]" 1
585 1 71 LEU MD1 1 73 TYR QD 1.800 . 5.900 3.223 1.822 4.807 . 0 0 "[ . 1 . 2]" 1
586 1 71 LEU MD1 1 73 TYR QE 1.800 . 8.100 3.650 1.919 4.917 . 0 0 "[ . 1 . 2]" 1
587 1 71 LEU MD1 1 73 TYR QB 1.800 . 6.000 3.787 3.091 6.015 0.015 9 0 "[ . 1 . 2]" 1
588 1 71 LEU MD2 1 73 TYR QB 1.800 . 6.000 3.726 2.416 5.262 . 0 0 "[ . 1 . 2]" 1
589 1 71 LEU QB 1 73 TYR QB 1.800 . 6.000 4.876 4.086 5.550 . 0 0 "[ . 1 . 2]" 1
590 1 74 GLU H 1 74 GLU HG3 1.800 . 3.300 3.057 2.888 3.405 0.105 13 0 "[ . 1 . 2]" 1
591 1 74 GLU H 1 74 GLU HG2 1.800 . 3.300 1.889 1.775 1.937 0.025 13 0 "[ . 1 . 2]" 1
592 1 73 TYR QB 1 74 GLU H 1.800 . 5.500 2.853 2.630 3.335 . 0 0 "[ . 1 . 2]" 1
593 1 73 TYR QD 1 74 GLU H 1.800 . 7.100 4.106 3.406 4.619 . 0 0 "[ . 1 . 2]" 1
594 1 75 PHE H 1 75 PHE HB3 1.800 . 3.300 3.390 3.357 3.420 0.120 13 0 "[ . 1 . 2]" 1
595 1 75 PHE H 1 75 PHE HB2 1.800 . 3.300 2.161 2.073 2.249 . 0 0 "[ . 1 . 2]" 1
596 1 74 GLU QB 1 75 PHE H 1.800 . 3.800 3.067 2.892 3.413 . 0 0 "[ . 1 . 2]" 1
597 1 74 GLU HG3 1 75 PHE H 1.800 . 5.000 4.768 4.475 5.019 0.019 13 0 "[ . 1 . 2]" 1
598 1 74 GLU HG2 1 75 PHE H 1.800 . 5.000 4.997 4.693 5.048 0.048 14 0 "[ . 1 . 2]" 1
599 1 73 TYR QE 1 75 PHE QE 1.800 . 9.000 2.418 1.953 4.885 . 0 0 "[ . 1 . 2]" 1
600 1 73 TYR QE 1 75 PHE HZ 1.800 . 6.000 4.066 3.141 5.673 . 0 0 "[ . 1 . 2]" 1
601 1 73 TYR QD 1 75 PHE QE 1.800 . 9.000 3.396 1.996 5.106 . 0 0 "[ . 1 . 2]" 1
602 1 73 TYR QD 1 75 PHE HZ 1.800 . 6.000 4.811 3.966 5.655 . 0 0 "[ . 1 . 2]" 1
603 1 76 PRO HA 1 76 PRO HD3 1.800 . 5.000 3.267 3.024 3.381 . 0 0 "[ . 1 . 2]" 1
604 1 76 PRO HA 1 76 PRO HD2 1.800 . 5.000 4.020 3.941 4.055 . 0 0 "[ . 1 . 2]" 1
605 1 75 PHE HA 1 76 PRO HD3 1.800 . 3.800 2.676 2.595 2.846 . 0 0 "[ . 1 . 2]" 1
606 1 75 PHE HA 1 76 PRO HD2 1.800 . 3.800 2.375 2.274 2.444 . 0 0 "[ . 1 . 2]" 1
607 1 75 PHE QD 1 76 PRO QG 1.800 . 7.500 3.208 2.728 3.616 . 0 0 "[ . 1 . 2]" 1
608 1 75 PHE QE 1 76 PRO QG 1.800 . 7.500 4.702 4.439 5.032 . 0 0 "[ . 1 . 2]" 1
609 1 77 ASP H 1 77 ASP QB 1.800 . 3.800 3.250 2.676 3.515 . 0 0 "[ . 1 . 2]" 1
610 1 76 PRO HA 1 77 ASP H 1.800 . 3.300 2.560 2.314 3.462 0.162 8 0 "[ . 1 . 2]" 1
611 1 76 PRO HB3 1 77 ASP H 1.800 . 5.000 4.392 4.173 4.462 . 0 0 "[ . 1 . 2]" 1
612 1 76 PRO HB2 1 77 ASP H 1.800 . 5.000 4.000 3.069 4.239 . 0 0 "[ . 1 . 2]" 1
613 1 76 PRO QG 1 77 ASP H 1.800 . 5.500 4.414 2.945 4.800 . 0 0 "[ . 1 . 2]" 1
614 1 76 PRO HD3 1 77 ASP H 1.800 . 5.000 4.846 4.245 5.023 0.023 7 0 "[ . 1 . 2]" 1
615 1 76 PRO HD2 1 77 ASP H 1.800 . 5.000 4.763 3.481 5.111 0.111 1 0 "[ . 1 . 2]" 1
616 1 78 ARG H 1 78 ARG QG 1.800 . 5.500 4.127 3.967 4.185 . 0 0 "[ . 1 . 2]" 1
617 1 78 ARG HA 1 78 ARG QG 1.800 . 3.800 2.216 2.106 2.363 . 0 0 "[ . 1 . 2]" 1
618 1 77 ASP H 1 78 ARG H 1.800 . 3.300 2.208 1.842 2.347 . 0 0 "[ . 1 . 2]" 1
619 1 77 ASP HA 1 78 ARG H 1.800 . 5.000 3.232 3.081 3.527 . 0 0 "[ . 1 . 2]" 1
620 1 76 PRO QG 1 78 ARG HB3 1.800 . 5.500 5.432 5.076 5.539 0.039 10 0 "[ . 1 . 2]" 1
621 1 76 PRO QG 1 78 ARG HB2 1.800 . 5.500 5.187 4.816 5.515 0.015 16 0 "[ . 1 . 2]" 1
622 1 79 HIS H 1 79 HIS QB 1.800 . 3.800 2.362 2.195 2.806 . 0 0 "[ . 1 . 2]" 1
623 1 78 ARG QB 1 79 HIS H 1.800 . 5.500 3.866 3.340 4.006 . 0 0 "[ . 1 . 2]" 1
624 1 78 ARG QG 1 79 HIS H 1.800 . 5.500 3.430 2.361 3.774 . 0 0 "[ . 1 . 2]" 1
625 1 80 ILE H 1 80 ILE QG 1.800 . 3.800 3.895 3.863 3.920 0.120 14 0 "[ . 1 . 2]" 1
626 1 80 ILE H 1 80 ILE MD 1.800 . 6.000 4.486 4.380 4.612 . 0 0 "[ . 1 . 2]" 1
627 1 80 ILE H 1 80 ILE MG 1.800 . 4.300 1.916 1.865 2.007 . 0 0 "[ . 1 . 2]" 1
628 1 80 ILE HA 1 80 ILE HB 1.800 . 2.800 2.355 2.323 2.380 . 0 0 "[ . 1 . 2]" 1
629 1 80 ILE HA 1 80 ILE MD 1.800 . 6.000 3.596 2.151 3.900 . 0 0 "[ . 1 . 2]" 1
630 1 80 ILE HA 1 80 ILE MG 1.800 . 4.300 3.182 3.170 3.195 . 0 0 "[ . 1 . 2]" 1
631 1 79 HIS QB 1 80 ILE H 1.800 . 5.500 3.886 3.440 3.995 . 0 0 "[ . 1 . 2]" 1
632 1 81 THR H 1 81 THR HB 1.800 . 3.300 3.191 2.963 3.320 0.020 15 0 "[ . 1 . 2]" 1
633 1 81 THR H 1 81 THR MG 1.800 . 6.000 3.737 3.445 3.921 . 0 0 "[ . 1 . 2]" 1
634 1 81 THR HA 1 81 THR MG 1.800 . 6.000 2.165 1.987 2.241 . 0 0 "[ . 1 . 2]" 1
635 1 80 ILE HG13 1 81 THR H 1.800 . 5.000 2.819 2.027 3.365 . 0 0 "[ . 1 . 2]" 1
636 1 80 ILE HG12 1 81 THR H 1.800 . 5.000 3.399 2.483 4.814 . 0 0 "[ . 1 . 2]" 1
637 1 80 ILE MD 1 81 THR H 1.800 . 6.000 4.031 2.604 4.704 . 0 0 "[ . 1 . 2]" 1
638 1 80 ILE HG12 1 81 THR HA 1.800 . 6.000 3.937 3.327 5.476 . 0 0 "[ . 1 . 2]" 1
639 1 80 ILE MG 1 81 THR HA 1.800 . 6.000 4.267 4.017 4.468 . 0 0 "[ . 1 . 2]" 1
640 1 82 LEU H 1 82 LEU QB 1.800 . 5.500 2.363 2.261 2.425 . 0 0 "[ . 1 . 2]" 1
641 1 82 LEU H 1 82 LEU MD1 1.800 . 4.300 3.861 3.124 4.235 . 0 0 "[ . 1 . 2]" 1
642 1 82 LEU H 1 82 LEU MD2 1.800 . 6.000 4.134 3.326 4.578 . 0 0 "[ . 1 . 2]" 1
643 1 81 THR H 1 82 LEU H 1.800 . 5.000 4.282 4.138 4.394 . 0 0 "[ . 1 . 2]" 1
644 1 81 THR MG 1 82 LEU H 1.800 . 6.000 3.217 2.993 3.576 . 0 0 "[ . 1 . 2]" 1
645 1 82 LEU HA 1 82 LEU MD1 1.800 . 6.000 2.407 1.796 3.805 0.004 15 0 "[ . 1 . 2]" 1
646 1 82 LEU HA 1 82 LEU MD2 1.800 . 6.000 3.044 1.921 3.769 . 0 0 "[ . 1 . 2]" 1
647 1 80 ILE MG 1 82 LEU MD1 1.800 . 6.000 4.701 3.550 6.022 0.022 6 0 "[ . 1 . 2]" 1
648 1 83 TRP H 1 83 TRP HE1 1.800 . 5.000 5.033 4.920 5.063 0.063 13 0 "[ . 1 . 2]" 1
649 1 83 TRP H 1 83 TRP HD1 1.800 . 5.000 2.528 2.432 2.579 . 0 0 "[ . 1 . 2]" 1
650 1 82 LEU QB 1 83 TRP H 1.800 . 5.500 3.659 3.488 3.789 . 0 0 "[ . 1 . 2]" 1
651 1 82 LEU MD1 1 83 TRP H 1.800 . 6.000 3.630 2.068 5.195 . 0 0 "[ . 1 . 2]" 1
652 1 82 LEU MD2 1 83 TRP H 1.800 . 6.000 4.307 2.925 5.033 . 0 0 "[ . 1 . 2]" 1
653 1 84 PHE H 1 84 PHE QD 1.800 . 5.400 2.719 2.287 3.522 . 0 0 "[ . 1 . 2]" 1
654 1 84 PHE H 1 84 PHE QE 1.800 . 7.100 4.950 4.618 5.413 . 0 0 "[ . 1 . 2]" 1
655 1 84 PHE HA 1 84 PHE QD 1.800 . 7.100 2.620 1.817 3.099 . 0 0 "[ . 1 . 2]" 1
656 1 83 TRP HB3 1 84 PHE H 1.800 . 5.000 3.398 3.370 3.414 . 0 0 "[ . 1 . 2]" 1
657 1 83 TRP HB2 1 84 PHE H 1.800 . 5.000 4.264 4.225 4.287 . 0 0 "[ . 1 . 2]" 1
658 1 83 TRP HD1 1 84 PHE H 1.800 . 5.000 5.105 5.068 5.157 0.157 15 0 "[ . 1 . 2]" 1
659 1 82 LEU MD1 1 84 PHE QE 1.800 . 6.400 2.886 1.789 3.724 0.011 15 0 "[ . 1 . 2]" 1
660 1 82 LEU MD2 1 84 PHE QE 1.800 . 6.400 2.612 1.913 3.913 . 0 0 "[ . 1 . 2]" 1
661 1 82 LEU MD1 1 84 PHE HZ 1.800 . 4.300 3.807 2.413 4.365 0.065 11 0 "[ . 1 . 2]" 1
662 1 82 LEU MD2 1 84 PHE HZ 1.800 . 4.300 3.167 1.942 4.328 0.028 15 0 "[ . 1 . 2]" 1
663 1 85 TRP H 1 85 TRP HE1 1.800 . 5.000 4.899 4.506 5.019 0.019 18 0 "[ . 1 . 2]" 1
664 1 84 PHE QD 1 85 TRP H 1.800 . 7.100 4.401 3.752 4.669 . 0 0 "[ . 1 . 2]" 1
665 1 86 LEU H 1 86 LEU QB 1.800 . 5.500 2.318 2.228 2.594 . 0 0 "[ . 1 . 2]" 1
666 1 86 LEU H 1 86 LEU MD1 1.800 . 7.000 4.193 3.704 4.449 . 0 0 "[ . 1 . 2]" 1
667 1 85 TRP HB3 1 86 LEU H 1.800 . 5.000 2.807 2.765 2.851 . 0 0 "[ . 1 . 2]" 1
668 1 85 TRP HB2 1 86 LEU H 1.800 . 5.000 3.923 3.783 4.026 . 0 0 "[ . 1 . 2]" 1
669 1 85 TRP HE3 1 86 LEU H 1.800 . 5.000 4.087 3.606 4.429 . 0 0 "[ . 1 . 2]" 1
670 1 87 VAL H 1 87 VAL MG1 1.800 . 6.000 3.821 3.757 3.904 . 0 0 "[ . 1 . 2]" 1
671 1 87 VAL H 1 87 VAL MG2 1.800 . 4.300 2.375 1.962 2.800 . 0 0 "[ . 1 . 2]" 1
672 1 86 LEU QB 1 87 VAL H 1.800 . 5.000 3.690 2.950 3.926 . 0 0 "[ . 1 . 2]" 1
673 1 86 LEU HG 1 87 VAL H 1.800 . 5.500 3.810 2.680 5.125 . 0 0 "[ . 1 . 2]" 1
674 1 86 LEU MD1 1 87 VAL H 1.800 . 4.300 2.866 1.979 4.319 0.019 15 0 "[ . 1 . 2]" 1
675 1 88 GLU H 1 88 GLU QG 1.800 . 5.500 2.719 2.069 4.083 . 0 0 "[ . 1 . 2]" 1
676 1 88 GLU HA 1 88 GLU QG 1.800 . 5.500 2.764 2.316 3.400 . 0 0 "[ . 1 . 2]" 1
677 1 87 VAL MG1 1 88 GLU H 1.800 . 4.300 2.085 2.009 2.122 . 0 0 "[ . 1 . 2]" 1
678 1 87 VAL HB 1 88 GLU H 1.800 . 5.000 3.782 3.711 3.848 . 0 0 "[ . 1 . 2]" 1
679 1 87 VAL HB 1 88 GLU HA 1.800 . 4.300 4.502 4.463 4.560 0.260 7 0 "[ . 1 . 2]" 1
680 1 89 ARG H 1 89 ARG QG 1.800 . 5.500 3.665 2.285 4.080 . 0 0 "[ . 1 . 2]" 1
681 1 89 ARG HA 1 89 ARG QG 1.800 . 5.500 3.119 2.647 3.337 . 0 0 "[ . 1 . 2]" 1
682 1 88 GLU QB 1 89 ARG H 1.800 . 5.500 3.017 2.295 3.749 . 0 0 "[ . 1 . 2]" 1
683 1 88 GLU QG 1 89 ARG H 1.800 . 3.800 3.657 2.451 3.815 0.015 18 0 "[ . 1 . 2]" 1
684 1 88 GLU HA 1 89 ARG H 1.800 . 5.000 3.534 3.476 3.617 . 0 0 "[ . 1 . 2]" 1
685 1 88 GLU H 1 89 ARG H 1.800 . 3.300 2.261 2.134 2.617 . 0 0 "[ . 1 . 2]" 1
686 1 88 GLU H 1 89 ARG HA 1.800 . 5.000 4.835 4.787 4.901 . 0 0 "[ . 1 . 2]" 1
687 1 88 GLU H 1 89 ARG QB 1.800 . 6.000 4.560 4.295 5.327 . 0 0 "[ . 1 . 2]" 1
688 1 88 GLU H 1 89 ARG QG 1.800 . 6.000 5.535 4.021 5.915 . 0 0 "[ . 1 . 2]" 1
689 1 87 VAL HA 1 89 ARG H 1.800 . 5.000 4.229 4.080 4.712 . 0 0 "[ . 1 . 2]" 1
690 1 87 VAL MG1 1 89 ARG H 1.800 . 6.000 2.433 2.182 3.004 . 0 0 "[ . 1 . 2]" 1
691 1 90 TRP H 1 90 TRP HB3 1.800 . 3.300 3.186 3.133 3.273 . 0 0 "[ . 1 . 2]" 1
692 1 90 TRP H 1 90 TRP HD1 1.800 . 5.000 4.580 4.198 4.758 . 0 0 "[ . 1 . 2]" 1
693 1 89 ARG HA 1 90 TRP H 1.800 . 2.800 2.404 2.363 2.435 . 0 0 "[ . 1 . 2]" 1
694 1 89 ARG H 1 90 TRP H 1.800 . 5.000 4.389 4.369 4.407 . 0 0 "[ . 1 . 2]" 1
695 1 89 ARG QB 1 90 TRP H 1.800 . 5.500 3.081 2.322 3.338 . 0 0 "[ . 1 . 2]" 1
696 1 89 ARG QG 1 90 TRP H 1.800 . 5.500 2.487 1.869 3.876 . 0 0 "[ . 1 . 2]" 1
697 1 87 VAL MG1 1 90 TRP HE3 1.800 . 6.000 3.533 3.225 3.763 . 0 0 "[ . 1 . 2]" 1
698 1 89 ARG H 1 90 TRP HE3 1.800 . 5.000 5.019 4.623 5.084 0.084 8 0 "[ . 1 . 2]" 1
699 1 91 GLU H 1 91 GLU QB 1.800 . 3.800 2.284 2.128 2.378 . 0 0 "[ . 1 . 2]" 1
700 1 91 GLU H 1 91 GLU QG 1.800 . 5.500 3.421 2.370 4.048 . 0 0 "[ . 1 . 2]" 1
701 1 91 GLU HA 1 91 GLU QG 1.800 . 5.500 2.337 2.035 2.491 . 0 0 "[ . 1 . 2]" 1
702 1 90 TRP HA 1 91 GLU H 1.800 . 3.300 2.190 2.132 2.421 . 0 0 "[ . 1 . 2]" 1
703 1 90 TRP HB3 1 91 GLU H 1.800 . 5.000 4.312 3.653 4.490 . 0 0 "[ . 1 . 2]" 1
704 1 90 TRP HB2 1 91 GLU H 1.800 . 5.000 3.266 2.369 3.517 . 0 0 "[ . 1 . 2]" 1
705 1 90 TRP HD1 1 91 GLU H 1.800 . 5.000 3.690 3.285 3.895 . 0 0 "[ . 1 . 2]" 1
706 1 91 GLU HA 1 92 GLY H 1.800 . 2.800 2.238 2.146 2.307 . 0 0 "[ . 1 . 2]" 1
707 1 91 GLU H 1 92 GLY H 1.800 . 5.000 4.535 4.068 4.633 . 0 0 "[ . 1 . 2]" 1
708 1 91 GLU QG 1 92 GLY H 1.800 . 5.500 3.088 1.967 4.298 . 0 0 "[ . 1 . 2]" 1
709 1 91 GLU QB 1 92 GLY H 1.800 . 5.500 3.300 2.691 3.998 . 0 0 "[ . 1 . 2]" 1
710 1 90 TRP HD1 1 92 GLY H 1.800 . 5.000 4.151 3.050 4.525 . 0 0 "[ . 1 . 2]" 1
711 1 93 GLU H 1 93 GLU QB 1.800 . 3.800 2.597 2.388 2.806 . 0 0 "[ . 1 . 2]" 1
712 1 93 GLU H 1 93 GLU HG3 1.800 . 5.000 3.983 2.502 4.806 . 0 0 "[ . 1 . 2]" 1
713 1 93 GLU H 1 93 GLU HG2 1.800 . 5.000 4.388 3.572 4.870 . 0 0 "[ . 1 . 2]" 1
714 1 93 GLU HA 1 93 GLU HG3 1.800 . 3.300 2.619 2.116 3.317 0.017 9 0 "[ . 1 . 2]" 1
715 1 93 GLU HA 1 93 GLU HG2 1.800 . 3.300 2.998 2.267 3.359 0.059 12 0 "[ . 1 . 2]" 1
716 1 92 GLY HA3 1 93 GLU H 1.800 . 3.300 2.147 2.134 2.209 . 0 0 "[ . 1 . 2]" 1
717 1 92 GLY HA2 1 93 GLU H 1.800 . 3.300 3.216 2.995 3.343 0.043 13 0 "[ . 1 . 2]" 1
718 1 92 GLY H 1 93 GLU H 1.800 . 5.000 4.495 4.278 4.626 . 0 0 "[ . 1 . 2]" 1
719 1 90 TRP HE1 1 93 GLU HA 1.800 . 3.800 2.260 1.956 2.865 . 0 0 "[ . 1 . 2]" 1
720 1 93 GLU HA 1 94 PRO HD3 1.800 . 3.800 1.811 1.793 1.843 0.007 12 0 "[ . 1 . 2]" 1
721 1 93 GLU HA 1 94 PRO HD2 1.800 . 3.800 2.923 2.783 3.020 . 0 0 "[ . 1 . 2]" 1
722 1 90 TRP HE1 1 94 PRO HD3 1.800 . 5.000 2.059 1.932 2.289 . 0 0 "[ . 1 . 2]" 1
723 1 90 TRP HE1 1 94 PRO HD2 1.800 . 3.800 3.734 3.546 3.840 0.040 10 0 "[ . 1 . 2]" 1
724 1 95 TRP H 1 95 TRP QB 1.800 . 3.800 3.139 3.050 3.267 . 0 0 "[ . 1 . 2]" 1
725 1 95 TRP H 1 95 TRP HD1 1.800 . 3.300 2.984 2.695 3.174 . 0 0 "[ . 1 . 2]" 1
726 1 94 PRO HA 1 95 TRP H 1.800 . 3.800 2.184 2.156 2.299 . 0 0 "[ . 1 . 2]" 1
727 1 94 PRO QB 1 95 TRP H 1.800 . 5.500 3.327 2.955 3.369 . 0 0 "[ . 1 . 2]" 1
728 1 94 PRO QD 1 95 TRP HA 1.800 . 5.000 5.053 5.034 5.097 0.097 18 0 "[ . 1 . 2]" 1
729 1 95 TRP HA 1 96 GLY H 1.800 . 5.000 3.553 3.532 3.563 . 0 0 "[ . 1 . 2]" 1
730 1 95 TRP QB 1 96 GLY H 1.800 . 3.800 2.911 2.763 3.046 . 0 0 "[ . 1 . 2]" 1
731 1 95 TRP QB 1 96 GLY HA3 1.800 . 5.000 4.746 4.622 4.844 . 0 0 "[ . 1 . 2]" 1
732 1 95 TRP QB 1 96 GLY HA2 1.800 . 5.000 4.414 4.279 4.540 . 0 0 "[ . 1 . 2]" 1
733 1 96 GLY HA3 1 97 LYS H 1.800 . 3.800 2.189 2.128 2.234 . 0 0 "[ . 1 . 2]" 1
734 1 96 GLY HA2 1 97 LYS H 1.800 . 3.800 3.408 3.278 3.462 . 0 0 "[ . 1 . 2]" 1
735 1 96 GLY H 1 97 LYS H 1.800 . 5.000 4.307 4.212 4.471 . 0 0 "[ . 1 . 2]" 1
736 1 98 GLU H 1 98 GLU HG3 1.800 . 3.300 2.471 1.780 3.497 0.197 17 0 "[ . 1 . 2]" 1
737 1 98 GLU H 1 98 GLU HG2 1.800 . 3.300 2.819 1.893 3.384 0.084 15 0 "[ . 1 . 2]" 1
738 1 97 LYS H 1 98 GLU H 1.800 . 2.800 2.041 1.882 2.802 0.002 18 0 "[ . 1 . 2]" 1
739 1 97 LYS HA 1 98 GLU H 1.800 . 5.000 2.784 2.390 2.898 . 0 0 "[ . 1 . 2]" 1
740 1 97 LYS QB 1 98 GLU H 1.800 . 5.500 3.867 3.824 3.945 . 0 0 "[ . 1 . 2]" 1
741 1 97 LYS QG 1 98 GLU H 1.800 . 5.500 4.570 4.333 4.849 . 0 0 "[ . 1 . 2]" 1
742 1 98 GLU QB 1 99 GLY H 1.800 . 5.500 3.271 2.404 3.528 . 0 0 "[ . 1 . 2]" 1
743 1 98 GLU HG3 1 99 GLY H 1.800 . 5.000 3.012 1.953 4.114 . 0 0 "[ . 1 . 2]" 1
744 1 98 GLU HG2 1 99 GLY H 1.800 . 5.000 3.429 2.019 4.814 . 0 0 "[ . 1 . 2]" 1
745 1 98 GLU HA 1 99 GLY H 1.800 . 5.000 3.532 3.460 3.581 . 0 0 "[ . 1 . 2]" 1
746 1 98 GLU H 1 99 GLY H 1.800 . 2.800 2.687 2.187 2.810 0.010 12 0 "[ . 1 . 2]" 1
747 1 97 LYS H 1 99 GLY H 1.800 . 5.000 4.537 4.224 4.909 . 0 0 "[ . 1 . 2]" 1
748 1 98 GLU HA 1 99 GLY HA3 1.800 . 5.500 4.584 4.501 4.705 . 0 0 "[ . 1 . 2]" 1
749 1 98 GLU HA 1 99 GLY HA2 1.800 . 5.500 4.932 4.785 5.144 . 0 0 "[ . 1 . 2]" 1
750 1 99 GLY HA3 1 100 GLN H 1.800 . 5.000 2.562 2.126 3.247 . 0 0 "[ . 1 . 2]" 1
751 1 99 GLY HA2 1 100 GLN H 1.800 . 5.000 3.472 3.204 3.574 . 0 0 "[ . 1 . 2]" 1
752 1 99 GLY HA3 1 100 GLN HA 1.800 . 5.000 4.447 4.341 4.590 . 0 0 "[ . 1 . 2]" 1
753 1 99 GLY HA2 1 100 GLN HA 1.800 . 5.000 4.513 4.439 4.574 . 0 0 "[ . 1 . 2]" 1
754 1 99 GLY HA3 1 100 GLN QB 1.800 . 5.500 4.413 3.921 4.585 . 0 0 "[ . 1 . 2]" 1
755 1 99 GLY HA2 1 100 GLN QB 1.800 . 5.500 5.096 4.733 5.252 . 0 0 "[ . 1 . 2]" 1
756 1 100 GLN HA 1 101 PRO QB 1.800 . 4.300 4.439 4.413 4.486 0.186 19 0 "[ . 1 . 2]" 1
757 1 100 GLN HA 1 101 PRO HD3 1.800 . 3.300 2.158 2.021 2.364 . 0 0 "[ . 1 . 2]" 1
758 1 100 GLN HA 1 101 PRO HD2 1.800 . 3.300 2.221 2.163 2.348 . 0 0 "[ . 1 . 2]" 1
759 1 100 GLN QG 1 101 PRO QB 1.800 . 6.000 5.515 4.415 5.887 . 0 0 "[ . 1 . 2]" 1
760 1 100 GLN QG 1 101 PRO HD3 1.800 . 5.500 4.750 3.854 5.031 . 0 0 "[ . 1 . 2]" 1
761 1 100 GLN QG 1 101 PRO HD2 1.800 . 5.500 4.515 2.727 5.039 . 0 0 "[ . 1 . 2]" 1
762 1 101 PRO HA 1 102 GLY H 1.800 . 3.300 2.223 2.205 2.231 . 0 0 "[ . 1 . 2]" 1
763 1 101 PRO HB3 1 102 GLY H 1.800 . 5.000 3.213 3.197 3.264 . 0 0 "[ . 1 . 2]" 1
764 1 101 PRO HB2 1 102 GLY H 1.800 . 5.000 3.795 3.782 3.832 . 0 0 "[ . 1 . 2]" 1
765 1 101 PRO QG 1 102 GLY H 1.800 . 5.500 4.489 4.470 4.521 . 0 0 "[ . 1 . 2]" 1
766 1 103 GLU H 1 103 GLU QB 1.800 . 3.800 2.662 2.359 3.147 . 0 0 "[ . 1 . 2]" 1
767 1 102 GLY HA3 1 103 GLU H 1.800 . 3.300 2.589 2.580 2.602 . 0 0 "[ . 1 . 2]" 1
768 1 102 GLY HA2 1 103 GLU H 1.800 . 3.300 2.524 2.511 2.547 . 0 0 "[ . 1 . 2]" 1
769 1 104 TRP H 1 104 TRP QB 1.800 . 3.800 2.832 2.766 2.933 . 0 0 "[ . 1 . 2]" 1
770 1 103 GLU QB 1 104 TRP H 1.800 . 3.800 2.895 2.560 3.391 . 0 0 "[ . 1 . 2]" 1
771 1 105 MET H 1 105 MET QG 1.800 . 3.800 2.238 1.910 2.628 . 0 0 "[ . 1 . 2]" 1
772 1 105 MET HA 1 105 MET QG 1.800 . 5.500 3.083 2.607 3.359 . 0 0 "[ . 1 . 2]" 1
773 1 104 TRP QB 1 105 MET H 1.800 . 5.500 3.537 3.527 3.551 . 0 0 "[ . 1 . 2]" 1
774 1 106 SER H 1 106 SER HB3 1.800 . 3.300 2.913 2.469 3.301 0.001 5 0 "[ . 1 . 2]" 1
775 1 105 MET H 1 106 SER H 1.800 . 5.000 4.492 4.479 4.500 . 0 0 "[ . 1 . 2]" 1
776 1 105 MET HB3 1 106 SER H 1.800 . 5.000 3.239 2.486 3.822 . 0 0 "[ . 1 . 2]" 1
777 1 105 MET HB2 1 106 SER H 1.800 . 3.300 2.828 2.428 3.351 0.051 8 0 "[ . 1 . 2]" 1
778 1 105 MET QG 1 106 SER H 1.800 . 5.500 4.048 3.508 4.510 . 0 0 "[ . 1 . 2]" 1
779 1 107 LEU H 1 107 LEU QB 1.800 . 3.300 2.129 2.053 2.243 . 0 0 "[ . 1 . 2]" 1
780 1 107 LEU H 1 107 LEU QD 1.800 . 7.000 3.345 3.058 3.601 . 0 0 "[ . 1 . 2]" 1
781 1 107 LEU HA 1 107 LEU QD 1.800 . 5.300 1.898 1.858 1.971 . 0 0 "[ . 1 . 2]" 1
782 1 106 SER H 1 107 LEU H 1.800 . 5.000 4.423 4.376 4.468 . 0 0 "[ . 1 . 2]" 1
783 1 106 SER HB3 1 107 LEU H 1.800 . 5.000 4.156 3.802 4.477 . 0 0 "[ . 1 . 2]" 1
784 1 106 SER HB2 1 107 LEU H 1.800 . 5.000 3.933 3.511 4.581 . 0 0 "[ . 1 . 2]" 1
785 1 105 MET HB3 1 107 LEU QD 1.800 . 6.500 5.700 4.926 6.289 . 0 0 "[ . 1 . 2]" 1
786 1 105 MET HB2 1 107 LEU QD 1.800 . 6.500 4.706 3.788 5.412 . 0 0 "[ . 1 . 2]" 1
787 1 106 SER HA 1 107 LEU QB 1.800 . 5.500 4.039 4.014 4.071 . 0 0 "[ . 1 . 2]" 1
788 1 108 VAL H 1 108 VAL HB 1.800 . 3.300 2.573 2.425 2.701 . 0 0 "[ . 1 . 2]" 1
789 1 108 VAL H 1 108 VAL QG 1.800 . 5.300 2.146 1.939 2.288 . 0 0 "[ . 1 . 2]" 1
790 1 108 VAL HA 1 108 VAL QG 1.800 . 4.800 2.159 2.034 2.302 . 0 0 "[ . 1 . 2]" 1
791 1 107 LEU HA 1 108 VAL H 1.800 . 5.000 3.421 3.415 3.426 . 0 0 "[ . 1 . 2]" 1
792 1 107 LEU H 1 108 VAL H 1.800 . 3.300 2.588 2.430 2.723 . 0 0 "[ . 1 . 2]" 1
793 1 107 LEU QB 1 108 VAL H 1.800 . 5.500 3.082 3.043 3.118 . 0 0 "[ . 1 . 2]" 1
794 1 107 LEU QD 1 108 VAL H 1.800 . 7.000 3.870 3.602 4.013 . 0 0 "[ . 1 . 2]" 1
795 1 107 LEU QD 1 108 VAL QG 1.800 . 6.000 4.248 3.859 4.550 . 0 0 "[ . 1 . 2]" 1
796 1 108 VAL HA 1 109 GLY H 1.800 . 5.000 3.391 3.322 3.439 . 0 0 "[ . 1 . 2]" 1
797 1 108 VAL HB 1 109 GLY H 1.800 . 5.000 3.883 3.270 4.360 . 0 0 "[ . 1 . 2]" 1
798 1 108 VAL QG 1 109 GLY H 1.800 . 4.800 2.919 2.378 3.615 . 0 0 "[ . 1 . 2]" 1
799 1 108 VAL H 1 109 GLY H 1.800 . 2.800 2.747 2.706 2.808 0.008 10 0 "[ . 1 . 2]" 1
800 1 107 LEU H 1 109 GLY H 1.800 . 5.000 4.359 4.265 4.471 . 0 0 "[ . 1 . 2]" 1
801 1 108 VAL H 1 109 GLY HA3 1.800 . 5.500 5.076 4.984 5.183 . 0 0 "[ . 1 . 2]" 1
802 1 108 VAL H 1 109 GLY HA2 1.800 . 5.500 5.346 5.313 5.398 . 0 0 "[ . 1 . 2]" 1
803 1 110 LEU H 1 110 LEU HB3 1.800 . 2.800 2.615 2.192 2.844 0.044 1 0 "[ . 1 . 2]" 1
804 1 110 LEU H 1 110 LEU HB2 1.800 . 3.300 2.441 2.159 3.464 0.164 20 0 "[ . 1 . 2]" 1
805 1 110 LEU H 1 110 LEU HG 1.800 . 5.000 4.443 2.724 4.635 . 0 0 "[ . 1 . 2]" 1
806 1 110 LEU H 1 110 LEU MD1 1.800 . 4.300 3.967 3.591 4.302 0.002 8 0 "[ . 1 . 2]" 1
807 1 110 LEU H 1 110 LEU MD2 1.800 . 6.000 4.010 3.227 4.227 . 0 0 "[ . 1 . 2]" 1
808 1 110 LEU HA 1 110 LEU HG 1.800 . 3.800 2.896 2.388 3.729 . 0 0 "[ . 1 . 2]" 1
809 1 110 LEU HA 1 110 LEU MD1 1.800 . 4.300 2.703 1.878 3.626 . 0 0 "[ . 1 . 2]" 1
810 1 109 GLY HA3 1 110 LEU H 1.800 . 5.000 3.548 3.535 3.559 . 0 0 "[ . 1 . 2]" 1
811 1 109 GLY HA2 1 110 LEU H 1.800 . 5.000 2.651 2.590 2.714 . 0 0 "[ . 1 . 2]" 1
812 1 109 GLY H 1 110 LEU H 1.800 . 2.800 2.860 2.842 2.883 0.083 19 0 "[ . 1 . 2]" 1
813 1 108 VAL H 1 110 LEU H 1.800 . 5.000 4.985 4.895 5.043 0.043 12 0 "[ . 1 . 2]" 1
814 1 108 VAL HA 1 110 LEU H 1.800 . 5.000 4.330 4.053 4.588 . 0 0 "[ . 1 . 2]" 1
815 1 111 ASN H 1 111 ASN HB3 1.800 . 3.300 3.118 2.851 3.317 0.017 5 0 "[ . 1 . 2]" 1
816 1 111 ASN H 1 111 ASN HB2 1.800 . 3.300 2.403 2.251 2.609 . 0 0 "[ . 1 . 2]" 1
817 1 110 LEU H 1 111 ASN H 1.800 . 5.000 4.639 4.562 4.653 . 0 0 "[ . 1 . 2]" 1
818 1 110 LEU HA 1 111 ASN H 1.800 . 2.800 2.284 2.173 2.309 . 0 0 "[ . 1 . 2]" 1
819 1 110 LEU HB3 1 111 ASN H 1.800 . 5.000 3.781 3.558 4.145 . 0 0 "[ . 1 . 2]" 1
820 1 110 LEU HB2 1 111 ASN H 1.800 . 5.000 3.997 2.908 4.400 . 0 0 "[ . 1 . 2]" 1
821 1 110 LEU HG 1 111 ASN H 1.800 . 5.000 2.527 1.978 4.445 . 0 0 "[ . 1 . 2]" 1
822 1 110 LEU MD1 1 111 ASN H 1.800 . 6.000 2.935 1.849 3.948 . 0 0 "[ . 1 . 2]" 1
823 1 110 LEU MD2 1 111 ASN H 1.800 . 6.000 3.495 2.222 4.731 . 0 0 "[ . 1 . 2]" 1
824 1 112 ALA H 1 112 ALA MB 1.800 . 3.800 2.250 2.208 2.267 . 0 0 "[ . 1 . 2]" 1
825 1 111 ASN HA 1 112 ALA H 1.800 . 3.300 2.155 2.095 2.224 . 0 0 "[ . 1 . 2]" 1
826 1 111 ASN HB3 1 112 ALA H 1.800 . 5.000 4.039 3.714 4.266 . 0 0 "[ . 1 . 2]" 1
827 1 111 ASN HB2 1 112 ALA H 1.800 . 5.000 4.596 4.502 4.663 . 0 0 "[ . 1 . 2]" 1
828 1 113 ASP H 1 113 ASP HB3 1.800 . 3.300 2.809 2.508 2.940 . 0 0 "[ . 1 . 2]" 1
829 1 113 ASP H 1 113 ASP HB2 1.800 . 3.300 2.351 2.245 2.618 . 0 0 "[ . 1 . 2]" 1
830 1 112 ALA HA 1 113 ASP H 1.800 . 5.000 3.428 3.410 3.453 . 0 0 "[ . 1 . 2]" 1
831 1 112 ALA MB 1 113 ASP H 1.800 . 4.300 2.974 2.904 3.037 . 0 0 "[ . 1 . 2]" 1
832 1 112 ALA H 1 113 ASP H 1.800 . 2.800 2.446 2.421 2.471 . 0 0 "[ . 1 . 2]" 1
833 1 111 ASN HA 1 113 ASP H 1.800 . 5.000 3.277 3.149 3.471 . 0 0 "[ . 1 . 2]" 1
834 1 111 ASN HB3 1 113 ASP H 1.800 . 5.000 3.568 3.031 4.044 . 0 0 "[ . 1 . 2]" 1
835 1 111 ASN HB2 1 113 ASP H 1.800 . 5.000 4.784 4.563 5.019 0.019 10 0 "[ . 1 . 2]" 1
836 1 114 ASP H 1 114 ASP HB3 1.800 . 3.300 3.278 3.233 3.315 0.015 5 0 "[ . 1 . 2]" 1
837 1 114 ASP H 1 114 ASP HB2 1.800 . 3.300 2.074 2.070 2.078 . 0 0 "[ . 1 . 2]" 1
838 1 114 ASP HA 1 114 ASP HB3 1.800 . 2.800 2.833 2.811 2.854 0.054 10 0 "[ . 1 . 2]" 1
839 1 114 ASP HA 1 114 ASP HB2 1.800 . 2.800 2.846 2.825 2.867 0.067 5 0 "[ . 1 . 2]" 1
840 1 113 ASP HA 1 114 ASP H 1.800 . 5.000 3.554 3.544 3.562 . 0 0 "[ . 1 . 2]" 1
841 1 113 ASP HB3 1 114 ASP H 1.800 . 5.000 2.527 2.467 2.633 . 0 0 "[ . 1 . 2]" 1
842 1 113 ASP HB2 1 114 ASP H 1.800 . 5.000 3.554 3.397 3.806 . 0 0 "[ . 1 . 2]" 1
843 1 113 ASP H 1 114 ASP H 1.800 . 2.800 2.504 2.458 2.533 . 0 0 "[ . 1 . 2]" 1
844 1 112 ALA H 1 114 ASP H 1.800 . 5.000 4.334 4.257 4.427 . 0 0 "[ . 1 . 2]" 1
845 1 114 ASP H 1 115 PHE QE 1.800 . 7.100 6.097 5.936 6.410 . 0 0 "[ . 1 . 2]" 1
846 1 115 PHE H 1 115 PHE QB 1.800 . 3.300 2.256 2.167 2.523 . 0 0 "[ . 1 . 2]" 1
847 1 114 ASP HA 1 115 PHE H 1.800 . 5.000 3.496 3.386 3.535 . 0 0 "[ . 1 . 2]" 1
848 1 115 PHE H 1 115 PHE QD 1.800 . 5.400 2.416 2.257 2.554 . 0 0 "[ . 1 . 2]" 1
849 1 115 PHE H 1 115 PHE QE 1.800 . 7.100 4.735 4.579 4.861 . 0 0 "[ . 1 . 2]" 1
850 1 115 PHE HA 1 115 PHE QD 1.800 . 5.400 3.624 3.608 3.637 . 0 0 "[ . 1 . 2]" 1
851 1 114 ASP HB3 1 115 PHE H 1.800 . 5.000 3.125 2.923 3.576 . 0 0 "[ . 1 . 2]" 1
852 1 114 ASP HB2 1 115 PHE H 1.800 . 5.000 3.283 3.096 3.656 . 0 0 "[ . 1 . 2]" 1
853 1 114 ASP H 1 115 PHE H 1.800 . 2.800 2.632 2.595 2.656 . 0 0 "[ . 1 . 2]" 1
854 1 114 ASP HA 1 115 PHE HA 1.800 . 5.000 4.632 4.519 4.682 . 0 0 "[ . 1 . 2]" 1
855 1 114 ASP HB3 1 115 PHE QB 1.800 . 5.500 3.940 3.873 4.001 . 0 0 "[ . 1 . 2]" 1
856 1 114 ASP HB2 1 115 PHE QB 1.800 . 5.500 4.553 4.460 4.676 . 0 0 "[ . 1 . 2]" 1
857 1 114 ASP H 1 115 PHE QD 1.800 . 5.400 4.219 4.094 4.452 . 0 0 "[ . 1 . 2]" 1
858 1 113 ASP H 1 115 PHE H 1.800 . 5.000 3.871 3.676 4.002 . 0 0 "[ . 1 . 2]" 1
859 1 117 PRO HA 1 117 PRO HD3 1.800 . 5.500 3.582 3.559 3.595 . 0 0 "[ . 1 . 2]" 1
860 1 117 PRO HA 1 117 PRO HD2 1.800 . 5.500 4.099 4.096 4.100 . 0 0 "[ . 1 . 2]" 1
861 1 118 ALA H 1 118 ALA MB 1.800 . 6.000 2.192 2.120 2.252 . 0 0 "[ . 1 . 2]" 1
862 1 117 PRO HA 1 118 ALA H 1.800 . 5.000 3.545 3.533 3.556 . 0 0 "[ . 1 . 2]" 1
863 1 117 PRO QB 1 118 ALA H 1.800 . 5.500 3.096 3.051 3.142 . 0 0 "[ . 1 . 2]" 1
864 1 117 PRO QG 1 118 ALA H 1.800 . 5.500 2.214 2.166 2.265 . 0 0 "[ . 1 . 2]" 1
865 1 118 ALA HA 1 119 ASN H 1.800 . 5.000 3.321 3.311 3.328 . 0 0 "[ . 1 . 2]" 1
866 1 118 ALA MB 1 119 ASN H 1.800 . 6.000 3.160 3.141 3.177 . 0 0 "[ . 1 . 2]" 1
867 1 118 ALA HA 1 119 ASN QB 1.800 . 5.000 5.135 5.117 5.169 0.169 9 0 "[ . 1 . 2]" 1
868 1 120 GLU H 1 120 GLU HB3 1.800 . 3.300 3.149 2.111 3.281 . 0 0 "[ . 1 . 2]" 1
869 1 120 GLU H 1 120 GLU HB2 1.800 . 3.300 2.152 2.044 3.414 0.114 2 0 "[ . 1 . 2]" 1
870 1 119 ASN HA 1 120 GLU H 1.800 . 5.000 3.070 2.960 3.128 . 0 0 "[ . 1 . 2]" 1
871 1 119 ASN HB3 1 120 GLU H 1.800 . 5.000 4.237 4.184 4.303 . 0 0 "[ . 1 . 2]" 1
872 1 119 ASN HB2 1 120 GLU H 1.800 . 5.000 3.954 3.876 4.106 . 0 0 "[ . 1 . 2]" 1
873 1 119 ASN H 1 120 GLU H 1.800 . 3.300 2.519 2.323 2.655 . 0 0 "[ . 1 . 2]" 1
874 1 119 ASN QB 1 120 GLU HA 1.800 . 5.500 4.243 4.215 4.288 . 0 0 "[ . 1 . 2]" 1
875 1 121 PRO HA 1 121 PRO QD 1.800 . 5.500 3.256 3.241 3.269 . 0 0 "[ . 1 . 2]" 1
876 1 121 PRO HB2 1 121 PRO HD3 1.800 . 4.300 3.862 3.857 3.869 . 0 0 "[ . 1 . 2]" 1
877 1 122 VAL H 1 122 VAL HB 1.800 . 3.300 2.523 2.312 2.891 . 0 0 "[ . 1 . 2]" 1
878 1 122 VAL H 1 122 VAL MG1 1.800 . 6.000 3.768 3.696 3.800 . 0 0 "[ . 1 . 2]" 1
879 1 122 VAL H 1 122 VAL MG2 1.800 . 4.300 2.409 1.967 2.672 . 0 0 "[ . 1 . 2]" 1
880 1 122 VAL HA 1 122 VAL MG1 1.800 . 4.300 2.334 2.206 2.525 . 0 0 "[ . 1 . 2]" 1
881 1 122 VAL HA 1 122 VAL MG2 1.800 . 4.300 2.350 2.186 2.639 . 0 0 "[ . 1 . 2]" 1
882 1 121 PRO HA 1 122 VAL H 1.800 . 5.000 3.555 3.533 3.582 . 0 0 "[ . 1 . 2]" 1
883 1 121 PRO QB 1 122 VAL H 1.800 . 5.500 2.578 2.424 2.666 . 0 0 "[ . 1 . 2]" 1
884 1 121 PRO QG 1 122 VAL H 1.800 . 5.500 3.944 3.885 3.974 . 0 0 "[ . 1 . 2]" 1
885 1 121 PRO QD 1 122 VAL H 1.800 . 3.800 3.110 3.046 3.147 . 0 0 "[ . 1 . 2]" 1
886 1 121 PRO HB2 1 122 VAL HB 1.800 . 5.000 4.782 4.581 5.051 0.051 15 0 "[ . 1 . 2]" 1
887 1 119 ASN HB3 1 122 VAL MG2 1.800 . 6.000 4.475 4.241 4.636 . 0 0 "[ . 1 . 2]" 1
888 1 119 ASN HB2 1 122 VAL MG2 1.800 . 6.000 5.880 5.598 6.026 0.026 18 0 "[ . 1 . 2]" 1
889 1 123 ILE H 1 123 ILE HB 1.800 . 2.800 2.552 2.211 2.733 . 0 0 "[ . 1 . 2]" 1
890 1 123 ILE H 1 123 ILE MD 1.800 . 4.300 3.354 3.095 4.244 . 0 0 "[ . 1 . 2]" 1
891 1 123 ILE H 1 123 ILE MG 1.800 . 6.000 3.710 2.780 3.773 . 0 0 "[ . 1 . 2]" 1
892 1 123 ILE HA 1 123 ILE MD 1.800 . 3.800 2.122 1.932 2.314 . 0 0 "[ . 1 . 2]" 1
893 1 123 ILE HA 1 123 ILE MG 1.800 . 6.000 2.333 2.142 3.133 . 0 0 "[ . 1 . 2]" 1
894 1 122 VAL HB 1 123 ILE H 1.800 . 3.300 2.385 2.311 2.485 . 0 0 "[ . 1 . 2]" 1
895 1 122 VAL MG1 1 123 ILE H 1.800 . 4.300 3.275 2.935 3.730 . 0 0 "[ . 1 . 2]" 1
896 1 120 GLU HA 1 123 ILE MG 1.800 . 6.000 4.071 2.214 4.475 . 0 0 "[ . 1 . 2]" 1
897 1 120 GLU HA 1 123 ILE MD 1.800 . 6.000 4.892 4.506 5.170 . 0 0 "[ . 1 . 2]" 1
898 1 124 ALA H 1 124 ALA MB 1.800 . 3.800 2.178 2.104 2.237 . 0 0 "[ . 1 . 2]" 1
899 1 123 ILE HB 1 124 ALA H 1.800 . 5.000 2.869 2.571 3.708 . 0 0 "[ . 1 . 2]" 1
900 1 123 ILE MD 1 124 ALA HA 1.800 . 4.300 3.581 2.874 3.841 . 0 0 "[ . 1 . 2]" 1
901 1 123 ILE H 1 124 ALA MB 1.800 . 6.000 4.283 4.203 4.414 . 0 0 "[ . 1 . 2]" 1
902 1 123 ILE MD 1 124 ALA MB 1.800 . 6.000 4.222 3.163 4.417 . 0 0 "[ . 1 . 2]" 1
903 1 125 LYS H 1 125 LYS QB 1.800 . 3.800 2.192 2.085 2.386 . 0 0 "[ . 1 . 2]" 1
904 1 125 LYS H 1 125 LYS QG 1.800 . 5.500 3.466 2.481 4.077 . 0 0 "[ . 1 . 2]" 1
905 1 125 LYS HA 1 125 LYS QG 1.800 . 3.800 2.437 2.061 3.276 . 0 0 "[ . 1 . 2]" 1
906 1 125 LYS QB 1 125 LYS QE 1.800 . 5.500 3.411 2.081 3.720 . 0 0 "[ . 1 . 2]" 1
907 1 124 ALA HA 1 125 LYS H 1.800 . 5.000 3.481 3.469 3.502 . 0 0 "[ . 1 . 2]" 1
908 1 124 ALA MB 1 125 LYS H 1.800 . 6.000 2.826 2.732 2.895 . 0 0 "[ . 1 . 2]" 1
909 1 126 LEU H 1 126 LEU QB 1.800 . 3.300 2.225 2.089 2.262 . 0 0 "[ . 1 . 2]" 1
910 1 126 LEU H 1 126 LEU HG 1.800 . 5.500 4.507 3.881 4.643 . 0 0 "[ . 1 . 2]" 1
911 1 126 LEU H 1 126 LEU MD1 1.800 . 4.300 4.077 3.803 4.343 0.043 17 0 "[ . 1 . 2]" 1
912 1 126 LEU H 1 126 LEU MD2 1.800 . 6.000 3.757 2.006 4.329 . 0 0 "[ . 1 . 2]" 1
913 1 126 LEU HA 1 126 LEU MD1 1.800 . 6.000 2.809 1.936 3.573 . 0 0 "[ . 1 . 2]" 1
914 1 126 LEU HA 1 126 LEU MD2 1.800 . 3.800 2.419 1.909 3.820 0.020 5 0 "[ . 1 . 2]" 1
915 1 127 LYS H 1 127 LYS QB 1.800 . 3.300 2.227 2.209 2.246 . 0 0 "[ . 1 . 2]" 1
916 1 127 LYS H 1 127 LYS HG3 1.800 . 5.000 4.414 4.362 4.467 . 0 0 "[ . 1 . 2]" 1
917 1 127 LYS H 1 127 LYS HG2 1.800 . 5.000 4.485 4.405 4.533 . 0 0 "[ . 1 . 2]" 1
918 1 127 LYS HA 1 127 LYS HG3 1.800 . 3.300 2.460 2.390 2.612 . 0 0 "[ . 1 . 2]" 1
919 1 127 LYS HA 1 127 LYS HG2 1.800 . 3.300 3.305 3.182 3.343 0.043 18 0 "[ . 1 . 2]" 1
920 1 127 LYS HA 1 127 LYS QD 1.800 . 5.300 3.832 3.761 4.053 . 0 0 "[ . 1 . 2]" 1
921 1 127 LYS HB3 1 127 LYS QD 1.800 . 5.300 2.692 2.399 3.147 . 0 0 "[ . 1 . 2]" 1
922 1 127 LYS HB2 1 127 LYS QD 1.800 . 5.300 2.259 2.112 2.467 . 0 0 "[ . 1 . 2]" 1
923 1 124 ALA MB 1 127 LYS QG 1.800 . 6.500 5.368 4.902 5.453 . 0 0 "[ . 1 . 2]" 1
924 1 124 ALA MB 1 127 LYS QD 1.800 . 6.500 4.685 3.983 5.264 . 0 0 "[ . 1 . 2]" 1
925 1 124 ALA HA 1 127 LYS QG 1.800 . 4.300 4.303 3.983 4.351 0.051 18 0 "[ . 1 . 2]" 1
926 1 123 ILE MD 1 127 LYS HA 1.800 . 5.000 4.961 3.274 5.082 0.082 18 0 "[ . 1 . 2]" 1
927 1 128 ARG H 1 128 ARG HB3 1.800 . 3.300 2.557 2.398 3.028 . 0 0 "[ . 1 . 2]" 1
928 1 128 ARG H 1 128 ARG HB2 1.800 . 3.300 2.513 2.134 2.644 . 0 0 "[ . 1 . 2]" 1
929 1 128 ARG H 1 128 ARG HG3 1.800 . 5.000 4.424 4.142 4.516 . 0 0 "[ . 1 . 2]" 1
930 1 128 ARG H 1 128 ARG HG2 1.800 . 5.000 4.470 4.371 4.667 . 0 0 "[ . 1 . 2]" 1
931 1 128 ARG HA 1 128 ARG HG3 1.800 . 3.300 2.495 2.065 2.887 . 0 0 "[ . 1 . 2]" 1
932 1 128 ARG HA 1 128 ARG HG2 1.800 . 3.300 3.209 2.600 3.307 0.007 6 0 "[ . 1 . 2]" 1
933 1 127 LYS HA 1 128 ARG H 1.800 . 5.000 3.528 3.508 3.535 . 0 0 "[ . 1 . 2]" 1
934 1 127 LYS HG3 1 128 ARG H 1.800 . 5.000 4.570 4.509 4.655 . 0 0 "[ . 1 . 2]" 1
935 1 127 LYS HG2 1 128 ARG H 1.800 . 5.000 3.763 3.529 3.872 . 0 0 "[ . 1 . 2]" 1
936 1 127 LYS QG 1 128 ARG HB3 1.800 . 5.500 5.494 5.355 5.527 0.027 1 0 "[ . 1 . 2]" 1
937 1 127 LYS QB 1 128 ARG HB3 1.800 . 5.500 4.755 4.582 5.224 . 0 0 "[ . 1 . 2]" 1
938 1 127 LYS QB 1 128 ARG HB2 1.800 . 5.500 4.074 3.952 4.332 . 0 0 "[ . 1 . 2]" 1
939 1 129 LEU H 1 129 LEU QB 1.800 . 3.300 2.950 2.043 3.409 0.109 19 0 "[ . 1 . 2]" 1
940 1 129 LEU H 1 129 LEU HG 1.800 . 5.500 3.460 2.364 4.508 . 0 0 "[ . 1 . 2]" 1
941 1 129 LEU H 1 129 LEU MD1 1.800 . 6.000 3.256 1.978 4.252 . 0 0 "[ . 1 . 2]" 1
942 1 129 LEU H 1 129 LEU MD2 1.800 . 6.000 3.633 2.612 4.460 . 0 0 "[ . 1 . 2]" 1
943 1 129 LEU HA 1 129 LEU HG 1.800 . 3.300 3.001 2.449 3.353 0.053 17 0 "[ . 1 . 2]" 1
944 1 129 LEU HA 1 129 LEU MD1 1.800 . 6.000 3.373 1.881 4.031 . 0 0 "[ . 1 . 2]" 1
945 1 126 LEU MD2 1 129 LEU H 1.800 . 6.000 4.400 3.285 5.840 . 0 0 "[ . 1 . 2]" 1
946 1 126 LEU MD2 1 129 LEU QD 1.800 . 8.000 3.715 1.786 6.490 0.014 8 0 "[ . 1 . 2]" 1
947 1 127 LYS HB3 1 129 LEU H 1.800 . 5.000 4.533 4.509 4.653 . 0 0 "[ . 1 . 2]" 1
948 1 127 LYS HB2 1 129 LEU H 1.800 . 5.000 5.154 5.143 5.169 0.169 12 0 "[ . 1 . 2]" 1
949 1 127 LYS QG 1 129 LEU H 1.800 . 5.500 4.623 4.460 4.703 . 0 0 "[ . 1 . 2]" 1
950 1 128 ARG QG 1 129 LEU H 1.800 . 5.500 4.202 3.980 4.591 . 0 0 "[ . 1 . 2]" 1
951 1 128 ARG HB3 1 129 LEU H 1.800 . 5.000 3.380 3.276 3.530 . 0 0 "[ . 1 . 2]" 1
952 1 128 ARG HB2 1 129 LEU H 1.800 . 5.000 4.221 3.894 4.319 . 0 0 "[ . 1 . 2]" 1
953 1 2 LYS QB 1 78 ARG HA 1.800 . 5.500 2.531 1.959 5.183 . 0 0 "[ . 1 . 2]" 1
954 1 2 LYS QB 1 78 ARG QB 1.800 . 6.000 4.043 3.587 5.812 . 0 0 "[ . 1 . 2]" 1
955 1 2 LYS QB 1 78 ARG QG 1.800 . 6.000 2.988 2.651 4.093 . 0 0 "[ . 1 . 2]" 1
956 1 3 LYS H 1 78 ARG QG 1.800 . 5.500 5.516 5.500 5.549 0.049 15 0 "[ . 1 . 2]" 1
957 1 3 LYS HA 1 78 ARG HA 1.800 . 5.000 4.387 3.769 4.867 . 0 0 "[ . 1 . 2]" 1
958 1 3 LYS HA 1 79 HIS H 1.800 . 3.800 2.592 1.986 2.880 . 0 0 "[ . 1 . 2]" 1
959 1 3 LYS HA 1 79 HIS QB 1.800 . 5.500 1.921 1.870 1.951 . 0 0 "[ . 1 . 2]" 1
960 1 3 LYS HB3 1 79 HIS H 1.800 . 5.000 4.383 3.684 5.023 0.023 9 0 "[ . 1 . 2]" 1
961 1 3 LYS HB2 1 79 HIS H 1.800 . 5.000 4.864 3.872 5.015 0.015 12 0 "[ . 1 . 2]" 1
962 1 3 LYS HA 1 80 ILE HA 1.800 . 5.000 4.737 4.378 5.021 0.021 13 0 "[ . 1 . 2]" 1
963 1 4 LEU H 1 79 HIS HA 1.800 . 5.000 4.741 4.476 4.998 . 0 0 "[ . 1 . 2]" 1
964 1 4 LEU H 1 79 HIS QB 1.800 . 5.500 3.100 2.694 3.549 . 0 0 "[ . 1 . 2]" 1
965 1 4 LEU QB 1 79 HIS H 1.800 . 5.500 5.527 5.505 5.556 0.056 18 0 "[ . 1 . 2]" 1
966 1 4 LEU QD 1 79 HIS H 1.800 . 6.500 4.162 3.722 4.408 . 0 0 "[ . 1 . 2]" 1
967 1 4 LEU HG 1 79 HIS H 1.800 . 5.000 4.577 3.811 5.009 0.009 8 0 "[ . 1 . 2]" 1
968 1 4 LEU H 1 80 ILE HA 1.800 . 5.000 3.100 2.840 3.378 . 0 0 "[ . 1 . 2]" 1
969 1 4 LEU QD 1 80 ILE MD 1.800 . 7.500 2.488 1.778 3.098 0.022 6 0 "[ . 1 . 2]" 1
970 1 4 LEU QD 1 80 ILE QG 1.800 . 6.500 2.291 1.815 3.480 . 0 0 "[ . 1 . 2]" 1
971 1 4 LEU H 1 81 THR H 1.800 . 5.000 4.155 3.616 4.647 . 0 0 "[ . 1 . 2]" 1
972 1 4 LEU MD1 1 81 THR H 1.800 . 6.000 3.003 2.375 3.910 . 0 0 "[ . 1 . 2]" 1
973 1 4 LEU HG 1 81 THR H 1.800 . 5.000 3.947 3.410 4.967 . 0 0 "[ . 1 . 2]" 1
974 1 5 GLN HB3 1 40 ILE MD 1.800 . 5.500 3.078 2.693 3.651 . 0 0 "[ . 1 . 2]" 1
975 1 5 GLN HB3 1 40 ILE MG 1.800 . 5.500 5.545 5.527 5.565 0.065 9 0 "[ . 1 . 2]" 1
976 1 5 GLN HB2 1 40 ILE MD 1.800 . 5.500 3.518 3.035 4.034 . 0 0 "[ . 1 . 2]" 1
977 1 5 GLN HB2 1 40 ILE MG 1.800 . 5.500 5.430 5.123 5.526 0.026 2 0 "[ . 1 . 2]" 1
978 1 5 GLN HB3 1 41 GLU HB3 1.800 . 5.000 3.663 3.517 3.881 . 0 0 "[ . 1 . 2]" 1
979 1 5 GLN HB3 1 41 GLU HB2 1.800 . 5.000 5.032 5.015 5.061 0.061 5 0 "[ . 1 . 2]" 1
980 1 5 GLN HB2 1 41 GLU HB3 1.800 . 5.000 2.072 1.909 2.355 . 0 0 "[ . 1 . 2]" 1
981 1 5 GLN HB2 1 41 GLU HB2 1.800 . 5.000 3.322 3.268 3.436 . 0 0 "[ . 1 . 2]" 1
982 1 5 GLN HA 1 81 THR H 1.800 . 5.000 2.500 2.196 2.824 . 0 0 "[ . 1 . 2]" 1
983 1 5 GLN QB 1 81 THR H 1.800 . 5.000 4.452 4.119 4.778 . 0 0 "[ . 1 . 2]" 1
984 1 5 GLN HA 1 80 ILE QG 1.800 . 5.000 4.453 4.054 5.025 0.025 2 0 "[ . 1 . 2]" 1
985 1 5 GLN QB 1 83 TRP HD1 1.800 . 5.000 5.036 5.012 5.060 0.060 15 0 "[ . 1 . 2]" 1
986 1 6 ILE HB 1 80 ILE MG 1.800 . 6.500 6.273 5.748 6.521 0.021 10 0 "[ . 1 . 2]" 1
987 1 6 ILE H 1 81 THR H 1.800 . 5.000 3.651 3.419 4.007 . 0 0 "[ . 1 . 2]" 1
988 1 6 ILE H 1 81 THR HB 1.800 . 5.000 2.803 2.402 3.174 . 0 0 "[ . 1 . 2]" 1
989 1 6 ILE H 1 82 LEU HA 1.800 . 5.000 3.493 3.212 3.975 . 0 0 "[ . 1 . 2]" 1
990 1 6 ILE MD 1 82 LEU MD1 1.800 . 6.000 3.293 1.785 4.697 0.015 5 0 "[ . 1 . 2]" 1
991 1 6 ILE H 1 83 TRP HD1 1.800 . 5.000 4.026 3.773 4.343 . 0 0 "[ . 1 . 2]" 1
992 1 6 ILE HB 1 83 TRP H 1.800 . 5.000 3.971 3.188 5.062 0.062 8 0 "[ . 1 . 2]" 1
993 1 6 ILE QG 1 83 TRP H 1.800 . 6.000 5.498 4.838 5.969 . 0 0 "[ . 1 . 2]" 1
994 1 6 ILE H 1 40 ILE MG 1.800 . 6.000 5.241 5.118 5.507 . 0 0 "[ . 1 . 2]" 1
995 1 6 ILE H 1 40 ILE MD 1.800 . 6.000 3.827 3.356 4.438 . 0 0 "[ . 1 . 2]" 1
996 1 6 ILE HA 1 40 ILE H 1.800 . 5.000 3.490 3.207 4.080 . 0 0 "[ . 1 . 2]" 1
997 1 6 ILE HA 1 40 ILE MG 1.800 . 4.300 3.507 3.166 4.111 . 0 0 "[ . 1 . 2]" 1
998 1 6 ILE MG 1 38 GLY H 1.800 . 6.000 4.572 4.073 6.012 0.012 8 0 "[ . 1 . 2]" 1
999 1 7 ALA H 1 38 GLY H 1.800 . 5.000 5.104 5.066 5.132 0.132 8 0 "[ . 1 . 2]" 1
1000 1 7 ALA MB 1 38 GLY H 1.800 . 6.000 5.719 5.398 5.881 . 0 0 "[ . 1 . 2]" 1
1001 1 7 ALA H 1 40 ILE H 1.800 . 5.000 3.106 2.787 3.384 . 0 0 "[ . 1 . 2]" 1
1002 1 7 ALA HA 1 40 ILE MD 1.800 . 6.000 3.686 3.358 3.862 . 0 0 "[ . 1 . 2]" 1
1003 1 7 ALA H 1 40 ILE MG 1.800 . 3.800 1.942 1.778 2.477 0.022 4 0 "[ . 1 . 2]" 1
1004 1 7 ALA H 1 40 ILE MD 1.800 . 6.000 3.495 3.229 3.669 . 0 0 "[ . 1 . 2]" 1
1005 1 7 ALA MB 1 40 ILE MG 1.800 . 4.800 1.738 1.716 1.768 0.084 18 0 "[ . 1 . 2]" 1
1006 1 7 ALA MB 1 40 ILE MD 1.800 . 7.000 1.805 1.747 1.922 0.053 15 0 "[ . 1 . 2]" 1
1007 1 7 ALA MB 1 40 ILE HB 1.800 . 6.000 2.884 2.768 3.117 . 0 0 "[ . 1 . 2]" 1
1008 1 7 ALA MB 1 40 ILE HA 1.800 . 4.300 4.435 4.405 4.477 0.177 16 0 "[ . 1 . 2]" 1
1009 1 7 ALA H 1 50 VAL MG1 1.800 . 6.000 5.029 4.600 6.014 0.014 16 0 "[ . 1 . 2]" 1
1010 1 7 ALA HA 1 82 LEU QD 1.800 . 7.000 4.376 3.376 5.312 . 0 0 "[ . 1 . 2]" 1
1011 1 7 ALA HA 1 83 TRP H 1.800 . 5.000 2.540 2.189 2.973 . 0 0 "[ . 1 . 2]" 1
1012 1 7 ALA MB 1 83 TRP H 1.800 . 6.000 3.868 3.468 4.355 . 0 0 "[ . 1 . 2]" 1
1013 1 7 ALA HA 1 83 TRP HB3 1.800 . 5.000 3.644 3.428 3.992 . 0 0 "[ . 1 . 2]" 1
1014 1 7 ALA HA 1 83 TRP HB2 1.800 . 5.000 2.070 1.856 2.462 . 0 0 "[ . 1 . 2]" 1
1015 1 7 ALA MB 1 83 TRP HB3 1.800 . 6.000 3.461 3.104 3.973 . 0 0 "[ . 1 . 2]" 1
1016 1 7 ALA MB 1 83 TRP HB2 1.800 . 6.000 2.313 1.937 2.811 . 0 0 "[ . 1 . 2]" 1
1017 1 8 VAL H 1 50 VAL MG1 1.800 . 6.000 4.543 3.803 5.788 . 0 0 "[ . 1 . 2]" 1
1018 1 8 VAL MG1 1 82 LEU MD1 1.800 . 4.300 3.407 2.042 4.318 0.018 1 0 "[ . 1 . 2]" 1
1019 1 8 VAL MG1 1 83 TRP H 1.800 . 6.000 3.682 3.430 3.874 . 0 0 "[ . 1 . 2]" 1
1020 1 8 VAL H 1 83 TRP HB3 1.800 . 5.500 4.238 3.964 4.605 . 0 0 "[ . 1 . 2]" 1
1021 1 8 VAL H 1 83 TRP HB2 1.800 . 5.500 3.381 2.967 3.749 . 0 0 "[ . 1 . 2]" 1
1022 1 8 VAL H 1 84 PHE QB 1.800 . 6.000 5.074 4.850 5.377 . 0 0 "[ . 1 . 2]" 1
1023 1 8 VAL MG1 1 84 PHE QD 1.800 . 7.100 3.371 2.039 4.512 . 0 0 "[ . 1 . 2]" 1
1024 1 8 VAL MG1 1 84 PHE QE 1.800 . 7.100 3.158 1.820 4.357 . 0 0 "[ . 1 . 2]" 1
1025 1 8 VAL MG1 1 37 GLY HA3 1.800 . 4.300 3.927 3.498 4.262 . 0 0 "[ . 1 . 2]" 1
1026 1 8 VAL MG1 1 37 GLY HA2 1.800 . 6.000 5.161 4.850 5.432 . 0 0 "[ . 1 . 2]" 1
1027 1 8 VAL MG2 1 37 GLY HA3 1.800 . 6.000 4.610 4.404 4.744 . 0 0 "[ . 1 . 2]" 1
1028 1 8 VAL MG2 1 37 GLY HA2 1.800 . 6.000 5.995 5.804 6.073 0.073 2 0 "[ . 1 . 2]" 1
1029 1 8 VAL H 1 85 TRP H 1.800 . 5.000 3.671 3.379 3.869 . 0 0 "[ . 1 . 2]" 1
1030 1 8 VAL H 1 85 TRP HD1 1.800 . 5.000 3.062 2.634 3.469 . 0 0 "[ . 1 . 2]" 1
1031 1 8 VAL MG1 1 85 TRP H 1.800 . 6.000 4.710 4.320 5.079 . 0 0 "[ . 1 . 2]" 1
1032 1 10 ILE MD 1 18 ILE MD 1.800 . 5.300 2.958 1.793 4.540 0.007 7 0 "[ . 1 . 2]" 1
1033 1 10 ILE HB 1 18 ILE MD 1.800 . 4.300 2.124 1.854 3.822 . 0 0 "[ . 1 . 2]" 1
1034 1 10 ILE MD 1 20 ILE MG 1.800 . 5.300 4.630 3.535 5.218 . 0 0 "[ . 1 . 2]" 1
1035 1 10 ILE MG 1 20 ILE MG 1.800 . 5.300 2.381 1.900 2.734 . 0 0 "[ . 1 . 2]" 1
1036 1 10 ILE H 1 85 TRP H 1.800 . 5.000 3.943 3.400 4.405 . 0 0 "[ . 1 . 2]" 1
1037 1 10 ILE H 1 86 LEU HA 1.800 . 5.000 3.781 3.587 3.953 . 0 0 "[ . 1 . 2]" 1
1038 1 10 ILE H 1 86 LEU QB 1.800 . 5.500 5.515 5.286 5.557 0.057 14 0 "[ . 1 . 2]" 1
1039 1 10 ILE H 1 87 VAL H 1.800 . 5.000 3.941 3.312 4.527 . 0 0 "[ . 1 . 2]" 1
1040 1 10 ILE H 1 87 VAL MG2 1.800 . 6.000 2.977 2.538 3.283 . 0 0 "[ . 1 . 2]" 1
1041 1 10 ILE HA 1 20 ILE HA 1.800 . 5.000 5.020 4.827 5.072 0.072 9 0 "[ . 1 . 2]" 1
1042 1 10 ILE HB 1 87 VAL H 1.800 . 5.000 3.428 2.670 4.059 . 0 0 "[ . 1 . 2]" 1
1043 1 10 ILE MD 1 87 VAL H 1.800 . 6.000 3.938 2.256 4.818 . 0 0 "[ . 1 . 2]" 1
1044 1 11 ILE MG 1 20 ILE MG 1.800 . 7.000 6.567 5.924 7.016 0.016 4 0 "[ . 1 . 2]" 1
1045 1 11 ILE MG 1 19 PHE H 1.800 . 6.000 4.331 4.082 4.649 . 0 0 "[ . 1 . 2]" 1
1046 1 11 ILE MD 1 63 GLN QB 1.800 . 6.000 5.877 5.422 6.088 0.088 19 0 "[ . 1 . 2]" 1
1047 1 11 ILE MD 1 87 VAL QG 1.800 . 6.000 1.966 1.770 2.092 0.030 19 0 "[ . 1 . 2]" 1
1048 1 11 ILE MD 1 19 PHE H 1.800 . 6.000 4.564 3.043 5.055 . 0 0 "[ . 1 . 2]" 1
1049 1 11 ILE HB 1 19 PHE H 1.800 . 5.000 2.982 2.660 3.234 . 0 0 "[ . 1 . 2]" 1
1050 1 11 ILE H 1 19 PHE QB 1.800 . 5.500 4.829 4.514 5.404 . 0 0 "[ . 1 . 2]" 1
1051 1 11 ILE HA 1 87 VAL H 1.800 . 5.000 4.329 4.094 4.581 . 0 0 "[ . 1 . 2]" 1
1052 1 11 ILE HA 1 87 VAL MG2 1.800 . 6.000 2.325 2.097 2.615 . 0 0 "[ . 1 . 2]" 1
1053 1 11 ILE MD 1 90 TRP HE3 1.800 . 6.000 1.819 1.774 1.889 0.026 10 0 "[ . 1 . 2]" 1
1054 1 11 ILE MD 1 95 TRP HA 1.800 . 6.000 6.055 6.031 6.097 0.097 19 0 "[ . 1 . 2]" 1
1055 1 12 ARG HG3 1 16 ASN HA 1.800 . 5.300 5.334 5.316 5.353 0.053 15 0 "[ . 1 . 2]" 1
1056 1 12 ARG HG2 1 16 ASN HA 1.800 . 5.300 4.696 4.417 5.306 0.006 19 0 "[ . 1 . 2]" 1
1057 1 12 ARG HA 1 18 ILE HA 1.800 . 3.800 2.495 1.844 3.027 . 0 0 "[ . 1 . 2]" 1
1058 1 12 ARG H 1 87 VAL H 1.800 . 5.000 4.398 4.204 4.533 . 0 0 "[ . 1 . 2]" 1
1059 1 12 ARG H 1 87 VAL MG2 1.800 . 5.000 3.604 3.451 3.798 . 0 0 "[ . 1 . 2]" 1
1060 1 12 ARG H 1 88 GLU HA 1.800 . 5.000 4.117 3.860 4.325 . 0 0 "[ . 1 . 2]" 1
1061 1 12 ARG H 1 90 TRP HE3 1.800 . 5.000 3.117 2.747 3.615 . 0 0 "[ . 1 . 2]" 1
1062 1 13 ASN H 1 90 TRP HE3 1.800 . 5.000 2.531 2.330 3.002 . 0 0 "[ . 1 . 2]" 1
1063 1 13 ASN H 1 18 ILE HA 1.800 . 5.000 2.612 2.439 2.933 . 0 0 "[ . 1 . 2]" 1
1064 1 13 ASN H 1 18 ILE HB 1.800 . 5.000 5.095 5.064 5.132 0.132 11 0 "[ . 1 . 2]" 1
1065 1 13 ASN H 1 18 ILE MD 1.800 . 6.000 4.564 2.647 5.019 . 0 0 "[ . 1 . 2]" 1
1066 1 13 ASN H 1 18 ILE MG 1.800 . 6.000 4.677 4.434 5.481 . 0 0 "[ . 1 . 2]" 1
1067 1 14 GLU HB3 1 104 TRP QB 1.800 . 6.000 6.082 6.065 6.123 0.123 17 0 "[ . 1 . 2]" 1
1068 1 17 GLU QB 1 105 MET H 1.800 . 5.500 3.447 2.713 3.780 . 0 0 "[ . 1 . 2]" 1
1069 1 17 GLU QG 1 105 MET H 1.800 . 5.500 4.809 4.097 5.563 0.063 20 0 "[ . 1 . 2]" 1
1070 1 17 GLU HA 1 106 SER HA 1.800 . 3.300 2.430 2.268 2.691 . 0 0 "[ . 1 . 2]" 1
1071 1 17 GLU HA 1 107 LEU H 1.800 . 5.000 2.797 2.481 3.028 . 0 0 "[ . 1 . 2]" 1
1072 1 17 GLU HB3 1 107 LEU H 1.800 . 5.000 4.380 3.611 5.001 0.001 2 0 "[ . 1 . 2]" 1
1073 1 17 GLU HB2 1 107 LEU H 1.800 . 5.000 4.698 4.205 5.057 0.057 10 0 "[ . 1 . 2]" 1
1074 1 17 GLU HB3 1 106 SER H 1.800 . 5.500 4.153 3.361 4.876 . 0 0 "[ . 1 . 2]" 1
1075 1 17 GLU HB2 1 106 SER H 1.800 . 5.500 4.439 3.667 5.506 0.006 8 0 "[ . 1 . 2]" 1
1076 1 17 GLU QB 1 106 SER HA 1.800 . 4.300 2.631 2.130 3.079 . 0 0 "[ . 1 . 2]" 1
1077 1 17 GLU QG 1 106 SER HA 1.800 . 5.500 3.976 1.881 4.951 . 0 0 "[ . 1 . 2]" 1
1078 1 18 ILE H 1 105 MET H 1.800 . 5.000 3.667 2.998 3.951 . 0 0 "[ . 1 . 2]" 1
1079 1 18 ILE H 1 105 MET HA 1.800 . 5.000 4.897 4.641 5.024 0.024 9 0 "[ . 1 . 2]" 1
1080 1 18 ILE H 1 106 SER HA 1.800 . 5.000 3.083 2.896 3.582 . 0 0 "[ . 1 . 2]" 1
1081 1 18 ILE H 1 90 TRP HH2 1.800 . 6.000 5.593 5.122 6.020 0.020 17 0 "[ . 1 . 2]" 1
1082 1 18 ILE HA 1 90 TRP HH2 1.800 . 6.000 3.758 3.325 4.539 . 0 0 "[ . 1 . 2]" 1
1083 1 18 ILE MG 1 90 TRP HZ3 1.800 . 6.000 3.970 3.527 5.291 . 0 0 "[ . 1 . 2]" 1
1084 1 19 PHE QB 1 94 PRO HB3 1.800 . 5.000 4.995 4.876 5.054 0.054 18 0 "[ . 1 . 2]" 1
1085 1 19 PHE QB 1 94 PRO HB2 1.800 . 5.000 4.647 4.344 5.002 0.002 7 0 "[ . 1 . 2]" 1
1086 1 19 PHE QE 1 96 GLY H 1.800 . 7.100 6.869 6.240 7.109 0.009 17 0 "[ . 1 . 2]" 1
1087 1 19 PHE QE 1 95 TRP H 1.800 . 7.100 5.412 4.583 5.779 . 0 0 "[ . 1 . 2]" 1
1088 1 19 PHE QE 1 102 GLY HA2 1.800 . 5.400 3.787 3.350 4.575 . 0 0 "[ . 1 . 2]" 1
1089 1 19 PHE QB 1 103 GLU H 1.800 . 5.500 4.744 4.012 5.529 0.029 18 0 "[ . 1 . 2]" 1
1090 1 19 PHE QE 1 103 GLU H 1.800 . 7.100 4.247 3.563 4.703 . 0 0 "[ . 1 . 2]" 1
1091 1 19 PHE QD 1 104 TRP HE1 1.800 . 7.100 4.577 3.622 5.841 . 0 0 "[ . 1 . 2]" 1
1092 1 19 PHE HA 1 104 TRP HA 1.800 . 5.000 2.418 2.047 2.807 . 0 0 "[ . 1 . 2]" 1
1093 1 19 PHE H 1 104 TRP HD1 1.800 . 5.000 4.869 4.536 5.027 0.027 10 0 "[ . 1 . 2]" 1
1094 1 20 ILE H 1 105 MET H 1.800 . 5.000 3.648 3.450 4.001 . 0 0 "[ . 1 . 2]" 1
1095 1 20 ILE MD 1 105 MET QB 1.800 . 6.500 3.319 1.853 4.123 . 0 0 "[ . 1 . 2]" 1
1096 1 20 ILE QG 1 105 MET QB 1.800 . 5.500 3.573 2.320 4.027 . 0 0 "[ . 1 . 2]" 1
1097 1 20 ILE H 1 104 TRP HA 1.800 . 5.000 4.289 3.964 4.651 . 0 0 "[ . 1 . 2]" 1
1098 1 20 ILE MG 1 33 LEU MD2 1.800 . 6.000 3.682 2.577 5.073 . 0 0 "[ . 1 . 2]" 1
1099 1 20 ILE MG 1 33 LEU MD1 1.800 . 7.000 4.228 2.896 5.566 . 0 0 "[ . 1 . 2]" 1
1100 1 20 ILE HB 1 34 GLU HA 1.800 . 5.000 5.025 5.000 5.052 0.052 10 0 "[ . 1 . 2]" 1
1101 1 20 ILE HB 1 34 GLU H 1.800 . 5.000 4.868 4.607 5.044 0.044 13 0 "[ . 1 . 2]" 1
1102 1 20 ILE MD 1 34 GLU HA 1.800 . 6.000 5.350 4.807 6.021 0.021 11 0 "[ . 1 . 2]" 1
1103 1 20 ILE QG 1 33 LEU MD1 1.800 . 7.000 4.177 2.329 5.280 . 0 0 "[ . 1 . 2]" 1
1104 1 20 ILE QG 1 33 LEU MD2 1.800 . 7.000 3.988 2.882 4.927 . 0 0 "[ . 1 . 2]" 1
1105 1 20 ILE MD 1 103 GLU H 1.800 . 6.000 5.677 3.923 6.019 0.019 5 0 "[ . 1 . 2]" 1
1106 1 21 THR H 1 34 GLU H 1.800 . 5.000 4.239 3.727 4.733 . 0 0 "[ . 1 . 2]" 1
1107 1 21 THR MG 1 34 GLU H 1.800 . 6.000 4.133 2.628 5.095 . 0 0 "[ . 1 . 2]" 1
1108 1 21 THR HA 1 102 GLY HA3 1.800 . 5.000 2.519 2.244 2.849 . 0 0 "[ . 1 . 2]" 1
1109 1 21 THR HA 1 102 GLY HA2 1.800 . 5.000 3.062 2.599 3.409 . 0 0 "[ . 1 . 2]" 1
1110 1 21 THR MG 1 102 GLY HA3 1.800 . 6.000 3.870 3.388 4.995 . 0 0 "[ . 1 . 2]" 1
1111 1 21 THR MG 1 102 GLY HA2 1.800 . 6.000 4.814 4.190 5.795 . 0 0 "[ . 1 . 2]" 1
1112 1 21 THR HB 1 102 GLY HA3 1.800 . 5.000 4.656 4.105 4.976 . 0 0 "[ . 1 . 2]" 1
1113 1 21 THR HB 1 102 GLY HA2 1.800 . 5.000 4.986 4.636 5.052 0.052 20 0 "[ . 1 . 2]" 1
1114 1 22 ARG H 1 33 LEU HA 1.800 . 5.000 4.492 4.075 5.001 0.001 18 0 "[ . 1 . 2]" 1
1115 1 22 ARG HA 1 33 LEU HA 1.800 . 5.000 2.350 1.895 3.826 . 0 0 "[ . 1 . 2]" 1
1116 1 22 ARG HA 1 33 LEU MD2 1.800 . 6.000 4.232 3.401 5.300 . 0 0 "[ . 1 . 2]" 1
1117 1 22 ARG QD 1 114 ASP HB3 1.800 . 6.000 4.958 3.980 5.704 . 0 0 "[ . 1 . 2]" 1
1118 1 22 ARG QD 1 114 ASP HB2 1.800 . 6.000 5.520 4.535 6.014 0.014 19 0 "[ . 1 . 2]" 1
1119 1 23 ARG H 1 33 LEU HA 1.800 . 5.000 3.613 3.247 4.271 . 0 0 "[ . 1 . 2]" 1
1120 1 23 ARG H 1 33 LEU HB3 1.800 . 5.500 5.497 5.081 5.542 0.042 11 0 "[ . 1 . 2]" 1
1121 1 23 ARG H 1 33 LEU HB2 1.800 . 5.500 4.059 3.530 4.492 . 0 0 "[ . 1 . 2]" 1
1122 1 23 ARG H 1 33 LEU MD1 1.800 . 6.500 4.483 2.759 5.477 . 0 0 "[ . 1 . 2]" 1
1123 1 23 ARG H 1 33 LEU MD2 1.800 . 6.500 5.457 4.899 6.397 . 0 0 "[ . 1 . 2]" 1
1124 1 23 ARG HB3 1 24 ALA MB 1.800 . 5.000 4.353 3.843 5.015 0.015 18 0 "[ . 1 . 2]" 1
1125 1 23 ARG HB2 1 24 ALA MB 1.800 . 5.000 4.945 4.445 5.098 0.098 18 0 "[ . 1 . 2]" 1
1126 1 24 ALA MB 1 101 PRO HG3 1.800 . 6.000 5.703 4.723 6.013 0.013 11 0 "[ . 1 . 2]" 1
1127 1 24 ALA MB 1 101 PRO HG2 1.800 . 6.000 4.721 3.611 5.250 . 0 0 "[ . 1 . 2]" 1
1128 1 30 ALA MB 1 114 ASP HB3 1.800 . 6.500 5.383 4.637 5.886 . 0 0 "[ . 1 . 2]" 1
1129 1 30 ALA MB 1 114 ASP HB2 1.800 . 6.500 5.958 5.216 6.503 0.003 14 0 "[ . 1 . 2]" 1
1130 1 32 LYS QB 1 115 PHE QB 1.800 . 6.000 6.002 5.659 6.042 0.042 5 0 "[ . 1 . 2]" 1
1131 1 32 LYS QG 1 115 PHE QB 1.800 . 6.000 5.884 5.302 6.037 0.037 17 0 "[ . 1 . 2]" 1
1132 1 33 LEU QB 1 107 LEU QD 1.800 . 6.500 6.521 6.428 6.567 0.067 10 0 "[ . 1 . 2]" 1
1133 1 33 LEU QD 1 110 LEU QD 1.800 . 8.000 2.894 2.281 3.857 . 0 0 "[ . 1 . 2]" 1
1134 1 33 LEU H 1 115 PHE HA 1.800 . 5.000 2.613 1.980 3.008 . 0 0 "[ . 1 . 2]" 1
1135 1 33 LEU H 1 115 PHE QB 1.800 . 5.500 3.780 3.505 4.117 . 0 0 "[ . 1 . 2]" 1
1136 1 33 LEU HB3 1 115 PHE H 1.800 . 5.000 3.201 2.813 3.536 . 0 0 "[ . 1 . 2]" 1
1137 1 33 LEU HB2 1 115 PHE H 1.800 . 5.000 4.461 3.899 5.006 0.006 4 0 "[ . 1 . 2]" 1
1138 1 33 LEU QD 1 115 PHE H 1.800 . 6.000 3.565 2.271 3.988 . 0 0 "[ . 1 . 2]" 1
1139 1 33 LEU H 1 114 ASP HA 1.800 . 5.000 4.696 4.272 5.035 0.035 15 0 "[ . 1 . 2]" 1
1140 1 33 LEU H 1 114 ASP QB 1.800 . 5.000 3.430 2.801 4.059 . 0 0 "[ . 1 . 2]" 1
1141 1 33 LEU QB 1 114 ASP H 1.800 . 5.000 4.398 4.231 4.746 . 0 0 "[ . 1 . 2]" 1
1142 1 33 LEU QD 1 114 ASP H 1.800 . 5.000 3.876 3.435 4.349 . 0 0 "[ . 1 . 2]" 1
1143 1 33 LEU HG 1 114 ASP HB3 1.800 . 5.000 3.947 3.556 4.285 . 0 0 "[ . 1 . 2]" 1
1144 1 33 LEU HG 1 114 ASP HB2 1.800 . 5.000 4.997 4.728 5.027 0.027 5 0 "[ . 1 . 2]" 1
1145 1 34 GLU HA 1 115 PHE HA 1.800 . 5.000 4.770 4.351 5.019 0.019 13 0 "[ . 1 . 2]" 1
1146 1 35 PHE QD 1 84 PHE QD 1.800 . 7.500 4.697 4.089 5.110 . 0 0 "[ . 1 . 2]" 1
1147 1 35 PHE QD 1 123 ILE MD 1.800 . 6.400 4.571 3.478 5.281 . 0 0 "[ . 1 . 2]" 1
1148 1 35 PHE QE 1 123 ILE MD 1.800 . 5.000 2.857 1.955 3.528 . 0 0 "[ . 1 . 2]" 1
1149 1 36 PRO HB3 1 54 LEU MD1 1.800 . 6.000 6.001 5.619 6.049 0.049 19 0 "[ . 1 . 2]" 1
1150 1 36 PRO HB2 1 54 LEU MD1 1.800 . 6.000 4.515 4.156 4.604 . 0 0 "[ . 1 . 2]" 1
1151 1 36 PRO HB3 1 98 GLU HB3 1.800 . 5.000 2.406 1.972 3.485 . 0 0 "[ . 1 . 2]" 1
1152 1 36 PRO HB2 1 98 GLU HB3 1.800 . 5.000 3.467 2.729 4.086 . 0 0 "[ . 1 . 2]" 1
1153 1 36 PRO HB3 1 98 GLU HB2 1.800 . 5.000 3.568 2.753 3.997 . 0 0 "[ . 1 . 2]" 1
1154 1 36 PRO HB2 1 98 GLU HB2 1.800 . 5.000 4.853 3.892 5.027 0.027 12 0 "[ . 1 . 2]" 1
1155 1 38 GLY H 1 98 GLU QB 1.800 . 5.500 4.462 4.125 5.217 . 0 0 "[ . 1 . 2]" 1
1156 1 38 GLY HA3 1 98 GLU HA 1.800 . 5.500 5.566 5.540 5.590 0.090 12 0 "[ . 1 . 2]" 1
1157 1 42 MET QB 1 52 ARG QB 1.800 . 6.000 5.931 5.728 6.026 0.026 15 0 "[ . 1 . 2]" 1
1158 1 42 MET QB 1 49 ALA HA 1.800 . 5.500 5.455 5.026 5.534 0.034 7 0 "[ . 1 . 2]" 1
1159 1 40 ILE MD 1 45 THR H 1.800 . 6.000 5.791 5.264 6.007 0.007 20 0 "[ . 1 . 2]" 1
1160 1 45 THR MG 1 47 GLU H 1.800 . 6.000 3.420 3.342 3.728 . 0 0 "[ . 1 . 2]" 1
1161 1 45 THR H 1 48 GLN H 1.800 . 3.300 3.369 3.347 3.402 0.102 16 0 "[ . 1 . 2]" 1
1162 1 45 THR HB 1 48 GLN H 1.800 . 5.000 2.402 2.154 2.965 . 0 0 "[ . 1 . 2]" 1
1163 1 45 THR MG 1 48 GLN H 1.800 . 6.000 4.051 3.848 4.478 . 0 0 "[ . 1 . 2]" 1
1164 1 45 THR HA 1 49 ALA H 1.800 . 5.000 4.656 4.322 4.850 . 0 0 "[ . 1 . 2]" 1
1165 1 40 ILE MD 1 49 ALA H 1.800 . 6.000 4.132 4.007 4.464 . 0 0 "[ . 1 . 2]" 1
1166 1 40 ILE MD 1 49 ALA HA 1.800 . 6.000 3.570 3.447 3.956 . 0 0 "[ . 1 . 2]" 1
1167 1 9 GLY HA2 1 50 VAL MG2 1.800 . 6.000 5.958 5.508 6.053 0.053 13 0 "[ . 1 . 2]" 1
1168 1 40 ILE HB 1 50 VAL MG2 1.800 . 6.000 5.499 4.287 5.919 . 0 0 "[ . 1 . 2]" 1
1169 1 40 ILE MG 1 50 VAL MG2 1.800 . 4.800 4.220 2.814 4.742 . 0 0 "[ . 1 . 2]" 1
1170 1 50 VAL MG2 1 54 LEU MD2 1.800 . 7.000 3.206 2.459 4.135 . 0 0 "[ . 1 . 2]" 1
1171 1 50 VAL MG2 1 85 TRP QB 1.800 . 4.800 3.635 3.348 3.981 . 0 0 "[ . 1 . 2]" 1
1172 1 50 VAL MG2 1 85 TRP HD1 1.800 . 4.800 4.018 2.581 4.703 . 0 0 "[ . 1 . 2]" 1
1173 1 50 VAL MG1 1 85 TRP HE3 1.800 . 4.800 4.793 4.450 4.841 0.041 5 0 "[ . 1 . 2]" 1
1174 1 50 VAL MG1 1 85 TRP H 1.800 . 6.000 5.446 4.939 6.044 0.044 16 0 "[ . 1 . 2]" 1
1175 1 50 VAL MG2 1 65 PHE QD 1.800 . 5.400 4.587 3.372 5.400 0.000 8 0 "[ . 1 . 2]" 1
1176 1 50 VAL MG1 1 85 TRP HD1 1.800 . 7.100 3.518 2.962 4.205 . 0 0 "[ . 1 . 2]" 1
1177 1 7 ALA MB 1 50 VAL MG1 1.800 . 4.800 2.041 1.780 2.918 0.020 8 0 "[ . 1 . 2]" 1
1178 1 48 GLN HA 1 51 VAL MG1 1.800 . 6.000 3.724 3.639 3.753 . 0 0 "[ . 1 . 2]" 1
1179 1 51 VAL MG1 1 65 PHE QE 1.800 . 6.900 3.719 3.008 4.669 . 0 0 "[ . 1 . 2]" 1
1180 1 51 VAL MG2 1 65 PHE QE 1.800 . 6.900 2.713 1.825 4.024 . 0 0 "[ . 1 . 2]" 1
1181 1 51 VAL MG1 1 65 PHE HZ 1.800 . 4.800 4.812 4.800 4.820 0.020 10 0 "[ . 1 . 2]" 1
1182 1 51 VAL MG2 1 65 PHE HZ 1.800 . 4.800 3.684 2.953 4.112 . 0 0 "[ . 1 . 2]" 1
1183 1 54 LEU MD2 1 60 ILE MD 1.800 . 7.000 6.548 5.713 7.099 0.099 13 0 "[ . 1 . 2]" 1
1184 1 54 LEU MD2 1 65 PHE HB3 1.800 . 6.000 6.040 6.003 6.096 0.096 13 0 "[ . 1 . 2]" 1
1185 1 54 LEU MD2 1 65 PHE HB2 1.800 . 6.000 4.969 4.746 5.143 . 0 0 "[ . 1 . 2]" 1
1186 1 54 LEU MD2 1 65 PHE QD 1.800 . 5.400 4.154 3.591 5.136 . 0 0 "[ . 1 . 2]" 1
1187 1 54 LEU MD1 1 65 PHE QD 1.800 . 7.100 5.402 3.619 6.584 . 0 0 "[ . 1 . 2]" 1
1188 1 55 GLN HA 1 60 ILE H 1.800 . 5.000 4.868 4.256 5.046 0.046 14 0 "[ . 1 . 2]" 1
1189 1 58 VAL QG 1 93 GLU QG 1.800 . 7.500 6.489 5.499 7.304 . 0 0 "[ . 1 . 2]" 1
1190 1 58 VAL H 1 95 TRP HE3 1.800 . 5.500 5.660 5.641 5.679 0.179 9 0 "[ . 1 . 2]" 1
1191 1 58 VAL MG1 1 95 TRP H 1.800 . 7.000 3.403 2.933 4.274 . 0 0 "[ . 1 . 2]" 1
1192 1 58 VAL MG2 1 95 TRP H 1.800 . 7.000 4.900 4.017 5.341 . 0 0 "[ . 1 . 2]" 1
1193 1 59 GLY HA3 1 95 TRP HE1 1.800 . 5.000 3.839 3.766 3.915 . 0 0 "[ . 1 . 2]" 1
1194 1 59 GLY HA2 1 95 TRP HE1 1.800 . 5.000 4.970 4.849 5.012 0.012 1 0 "[ . 1 . 2]" 1
1195 1 60 ILE HB 1 90 TRP HD1 1.800 . 5.000 4.548 3.964 5.032 0.032 12 0 "[ . 1 . 2]" 1
1196 1 60 ILE MD 1 91 GLU H 1.800 . 6.000 3.396 2.044 4.388 . 0 0 "[ . 1 . 2]" 1
1197 1 60 ILE HB 1 91 GLU H 1.800 . 5.000 4.192 3.065 5.104 0.104 19 0 "[ . 1 . 2]" 1
1198 1 60 ILE MG 1 93 GLU H 1.800 . 6.000 3.265 2.396 4.924 . 0 0 "[ . 1 . 2]" 1
1199 1 60 ILE MG 1 93 GLU HG3 1.800 . 6.000 5.605 4.881 6.047 0.047 12 0 "[ . 1 . 2]" 1
1200 1 60 ILE MG 1 93 GLU HG2 1.800 . 6.000 5.702 4.590 6.018 0.018 9 0 "[ . 1 . 2]" 1
1201 1 60 ILE MG 1 93 GLU HA 1.800 . 6.000 4.491 4.159 5.002 . 0 0 "[ . 1 . 2]" 1
1202 1 60 ILE HB 1 93 GLU H 1.800 . 5.000 4.836 4.296 5.021 0.021 3 0 "[ . 1 . 2]" 1
1203 1 60 ILE MD 1 95 TRP H 1.800 . 6.000 3.672 2.483 5.081 . 0 0 "[ . 1 . 2]" 1
1204 1 61 THR MG 1 95 TRP HE1 1.800 . 6.000 6.089 6.069 6.111 0.111 9 0 "[ . 1 . 2]" 1
1205 1 61 THR H 1 91 GLU H 1.800 . 5.000 4.041 3.043 4.299 . 0 0 "[ . 1 . 2]" 1
1206 1 61 THR MG 1 91 GLU H 1.800 . 6.000 5.614 3.018 5.975 . 0 0 "[ . 1 . 2]" 1
1207 1 61 THR HB 1 91 GLU H 1.800 . 5.000 5.097 5.062 5.222 0.222 3 0 "[ . 1 . 2]" 1
1208 1 61 THR HB 1 91 GLU QG 1.800 . 5.500 4.904 3.912 5.502 0.002 8 0 "[ . 1 . 2]" 1
1209 1 61 THR HB 1 91 GLU QB 1.800 . 5.500 3.911 3.642 4.055 . 0 0 "[ . 1 . 2]" 1
1210 1 62 PRO HA 1 90 TRP HA 1.800 . 5.000 1.851 1.709 1.938 0.091 3 0 "[ . 1 . 2]" 1
1211 1 62 PRO HA 1 90 TRP HB3 1.800 . 5.000 4.199 3.858 4.428 . 0 0 "[ . 1 . 2]" 1
1212 1 62 PRO HA 1 90 TRP HB2 1.800 . 5.000 3.712 3.634 3.798 . 0 0 "[ . 1 . 2]" 1
1213 1 62 PRO QB 1 90 TRP QB 1.800 . 5.000 1.796 1.747 2.025 0.053 7 0 "[ . 1 . 2]" 1
1214 1 62 PRO QG 1 90 TRP QB 1.800 . 5.000 3.216 3.080 3.505 . 0 0 "[ . 1 . 2]" 1
1215 1 62 PRO HA 1 91 GLU H 1.800 . 5.000 2.313 1.973 2.931 . 0 0 "[ . 1 . 2]" 1
1216 1 63 GLN QG 1 90 TRP HA 1.800 . 5.500 4.687 3.866 5.542 0.042 16 0 "[ . 1 . 2]" 1
1217 1 63 GLN H 1 90 TRP HA 1.800 . 5.000 3.003 2.781 3.538 . 0 0 "[ . 1 . 2]" 1
1218 1 63 GLN H 1 91 GLU H 1.800 . 5.000 4.182 3.794 4.882 . 0 0 "[ . 1 . 2]" 1
1219 1 63 GLN HA 1 89 ARG H 1.800 . 5.000 4.833 4.414 5.044 0.044 15 0 "[ . 1 . 2]" 1
1220 1 63 GLN QB 1 89 ARG H 1.800 . 5.000 3.208 2.554 3.995 . 0 0 "[ . 1 . 2]" 1
1221 1 63 GLN QG 1 89 ARG H 1.800 . 5.500 4.608 2.223 5.398 . 0 0 "[ . 1 . 2]" 1
1222 1 64 HIS QB 1 89 ARG QG 1.800 . 5.500 5.479 5.154 5.572 0.072 19 0 "[ . 1 . 2]" 1
1223 1 64 HIS H 1 89 ARG H 1.800 . 5.000 4.654 4.376 4.776 . 0 0 "[ . 1 . 2]" 1
1224 1 64 HIS HB3 1 89 ARG H 1.800 . 5.000 5.117 5.053 5.163 0.163 18 0 "[ . 1 . 2]" 1
1225 1 64 HIS HB3 1 88 GLU H 1.800 . 5.000 5.059 4.899 5.124 0.124 2 0 "[ . 1 . 2]" 1
1226 1 64 HIS HB2 1 88 GLU H 1.800 . 5.000 3.909 3.680 3.982 . 0 0 "[ . 1 . 2]" 1
1227 1 65 PHE QD 1 85 TRP HE3 1.800 . 5.400 3.923 2.572 5.022 . 0 0 "[ . 1 . 2]" 1
1228 1 65 PHE QD 1 85 TRP HZ3 1.800 . 7.100 3.984 2.998 5.008 . 0 0 "[ . 1 . 2]" 1
1229 1 65 PHE QE 1 85 TRP HE3 1.800 . 7.100 4.677 3.287 5.781 . 0 0 "[ . 1 . 2]" 1
1230 1 65 PHE QB 1 88 GLU H 1.800 . 5.000 5.108 5.042 5.170 0.170 18 0 "[ . 1 . 2]" 1
1231 1 65 PHE HA 1 87 VAL HA 1.800 . 5.000 4.712 4.461 5.035 0.035 20 0 "[ . 1 . 2]" 1
1232 1 65 PHE HB3 1 87 VAL HA 1.800 . 5.500 5.319 5.152 5.464 . 0 0 "[ . 1 . 2]" 1
1233 1 65 PHE HB2 1 87 VAL HA 1.800 . 5.500 5.345 5.244 5.502 0.002 4 0 "[ . 1 . 2]" 1
1234 1 65 PHE HB3 1 87 VAL MG2 1.800 . 6.000 6.092 5.987 6.187 0.187 4 0 "[ . 1 . 2]" 1
1235 1 65 PHE HB2 1 87 VAL MG2 1.800 . 6.000 5.841 5.708 5.910 . 0 0 "[ . 1 . 2]" 1
1236 1 66 SER H 1 86 LEU H 1.800 . 5.000 5.006 4.572 5.091 0.091 5 0 "[ . 1 . 2]" 1
1237 1 66 SER HA 1 86 LEU H 1.800 . 5.000 4.473 4.340 4.738 . 0 0 "[ . 1 . 2]" 1
1238 1 66 SER H 1 87 VAL MG2 1.800 . 6.000 5.814 4.690 6.156 0.156 16 0 "[ . 1 . 2]" 1
1239 1 67 LEU MD2 1 83 TRP HA 1.800 . 6.000 5.880 4.909 6.042 0.042 19 0 "[ . 1 . 2]" 1
1240 1 67 LEU MD2 1 84 PHE H 1.800 . 6.000 5.284 3.845 5.834 . 0 0 "[ . 1 . 2]" 1
1241 1 67 LEU H 1 85 TRP HE3 1.800 . 5.000 4.735 3.919 5.018 0.018 15 0 "[ . 1 . 2]" 1
1242 1 67 LEU HA 1 86 LEU H 1.800 . 5.000 2.026 1.765 2.441 0.035 18 0 "[ . 1 . 2]" 1
1243 1 68 PHE H 1 85 TRP HA 1.800 . 5.000 2.345 1.985 3.135 . 0 0 "[ . 1 . 2]" 1
1244 1 68 PHE QD 1 85 TRP HA 1.800 . 7.100 4.533 4.010 5.076 . 0 0 "[ . 1 . 2]" 1
1245 1 68 PHE H 1 86 LEU H 1.800 . 5.000 2.555 2.144 3.133 . 0 0 "[ . 1 . 2]" 1
1246 1 68 PHE H 1 86 LEU MD2 1.800 . 7.000 4.536 3.382 5.190 . 0 0 "[ . 1 . 2]" 1
1247 1 68 PHE QD 1 86 LEU MD2 1.800 . 7.100 4.626 3.806 5.191 . 0 0 "[ . 1 . 2]" 1
1248 1 68 PHE QE 1 86 LEU MD2 1.800 . 7.100 6.385 5.363 7.000 . 0 0 "[ . 1 . 2]" 1
1249 1 68 PHE QD 1 122 VAL MG1 1.800 . 5.000 4.166 3.530 4.568 . 0 0 "[ . 1 . 2]" 1
1250 1 68 PHE QE 1 122 VAL MG1 1.800 . 5.000 2.439 2.010 2.789 . 0 0 "[ . 1 . 2]" 1
1251 1 68 PHE QE 1 123 ILE MD 1.800 . 5.400 4.527 4.168 4.753 . 0 0 "[ . 1 . 2]" 1
1252 1 68 PHE HZ 1 126 LEU H 1.800 . 5.000 3.731 2.746 5.012 0.012 14 0 "[ . 1 . 2]" 1
1253 1 68 PHE HZ 1 126 LEU MD2 1.800 . 3.800 3.580 2.632 3.822 0.022 17 0 "[ . 1 . 2]" 1
1254 1 68 PHE HZ 1 126 LEU MD1 1.800 . 6.000 4.242 2.388 5.531 . 0 0 "[ . 1 . 2]" 1
1255 1 69 GLU H 1 84 PHE H 1.800 . 5.000 3.883 3.656 4.452 . 0 0 "[ . 1 . 2]" 1
1256 1 69 GLU H 1 85 TRP HA 1.800 . 5.000 3.882 3.441 4.616 . 0 0 "[ . 1 . 2]" 1
1257 1 69 GLU H 1 84 PHE HB3 1.800 . 3.800 3.543 3.025 3.832 0.032 18 0 "[ . 1 . 2]" 1
1258 1 69 GLU H 1 84 PHE HB2 1.800 . 3.800 3.078 2.494 3.730 . 0 0 "[ . 1 . 2]" 1
1259 1 70 LYS HA 1 84 PHE HA 1.800 . 5.000 5.071 5.049 5.110 0.110 15 0 "[ . 1 . 2]" 1
1260 1 71 LEU QD 1 80 ILE HB 1.800 . 7.000 6.618 5.962 7.031 0.031 18 0 "[ . 1 . 2]" 1
1261 1 71 LEU H 1 82 LEU QB 1.800 . 5.500 3.482 2.997 3.956 . 0 0 "[ . 1 . 2]" 1
1262 1 71 LEU H 1 82 LEU QD 1.800 . 7.000 4.757 4.202 5.255 . 0 0 "[ . 1 . 2]" 1
1263 1 71 LEU H 1 83 TRP HA 1.800 . 5.000 3.196 2.909 3.514 . 0 0 "[ . 1 . 2]" 1
1264 1 71 LEU QD 1 83 TRP H 1.800 . 7.000 5.727 4.608 6.800 . 0 0 "[ . 1 . 2]" 1
1265 1 71 LEU H 1 84 PHE H 1.800 . 5.000 3.814 3.590 4.061 . 0 0 "[ . 1 . 2]" 1
1266 1 71 LEU H 1 84 PHE QD 1.800 . 7.100 4.297 3.185 5.667 . 0 0 "[ . 1 . 2]" 1
1267 1 71 LEU MD1 1 84 PHE HZ 1.800 . 7.100 6.645 4.960 7.113 0.013 19 0 "[ . 1 . 2]" 1
1268 1 71 LEU MD2 1 84 PHE HZ 1.800 . 7.100 5.990 5.147 7.109 0.009 18 0 "[ . 1 . 2]" 1
1269 1 71 LEU MD1 1 84 PHE QE 1.800 . 6.400 5.655 3.583 6.397 . 0 0 "[ . 1 . 2]" 1
1270 1 71 LEU MD2 1 84 PHE QE 1.800 . 6.400 5.081 4.140 6.315 . 0 0 "[ . 1 . 2]" 1
1271 1 71 LEU QD 1 121 PRO QB 1.800 . 6.500 2.075 1.787 2.970 0.013 18 0 "[ . 1 . 2]" 1
1272 1 71 LEU QD 1 121 PRO QG 1.800 . 6.500 3.304 2.718 4.060 . 0 0 "[ . 1 . 2]" 1
1273 1 72 GLU HA 1 81 THR HA 1.800 . 2.800 2.520 2.317 2.778 . 0 0 "[ . 1 . 2]" 1
1274 1 72 GLU QG 1 81 THR MG 1.800 . 7.000 2.332 1.763 2.821 0.037 15 0 "[ . 1 . 2]" 1
1275 1 72 GLU QB 1 81 THR MG 1.800 . 7.000 2.193 1.834 2.988 . 0 0 "[ . 1 . 2]" 1
1276 1 72 GLU HA 1 81 THR MG 1.800 . 5.000 2.735 2.361 3.084 . 0 0 "[ . 1 . 2]" 1
1277 1 72 GLU H 1 82 LEU H 1.800 . 5.000 4.912 4.520 5.030 0.030 9 0 "[ . 1 . 2]" 1
1278 1 73 TYR H 1 80 ILE H 1.800 . 5.000 4.555 4.195 4.899 . 0 0 "[ . 1 . 2]" 1
1279 1 73 TYR H 1 80 ILE MD 1.800 . 6.000 5.440 4.954 6.014 0.014 18 0 "[ . 1 . 2]" 1
1280 1 73 TYR QB 1 80 ILE H 1.800 . 5.500 5.387 5.046 5.512 0.012 13 0 "[ . 1 . 2]" 1
1281 1 73 TYR QD 1 80 ILE MD 1.800 . 8.100 4.633 4.114 5.552 . 0 0 "[ . 1 . 2]" 1
1282 1 73 TYR H 1 81 THR HA 1.800 . 5.000 3.159 2.847 3.445 . 0 0 "[ . 1 . 2]" 1
1283 1 73 TYR H 1 81 THR MG 1.800 . 5.000 3.927 3.588 4.276 . 0 0 "[ . 1 . 2]" 1
1284 1 73 TYR QD 1 81 THR MG 1.800 . 8.100 5.170 4.736 5.990 . 0 0 "[ . 1 . 2]" 1
1285 1 73 TYR H 1 82 LEU H 1.800 . 5.000 3.854 3.591 4.185 . 0 0 "[ . 1 . 2]" 1
1286 1 74 GLU HB3 1 79 HIS H 1.800 . 5.000 5.022 5.013 5.036 0.036 18 0 "[ . 1 . 2]" 1
1287 1 74 GLU HB2 1 79 HIS H 1.800 . 5.000 4.781 4.268 5.006 0.006 18 0 "[ . 1 . 2]" 1
1288 1 74 GLU QG 1 79 HIS H 1.800 . 7.100 6.432 6.077 6.573 . 0 0 "[ . 1 . 2]" 1
1289 1 74 GLU HB3 1 79 HIS QB 1.800 . 5.500 3.033 2.786 3.567 . 0 0 "[ . 1 . 2]" 1
1290 1 74 GLU HB2 1 79 HIS QB 1.800 . 5.500 3.277 2.364 3.966 . 0 0 "[ . 1 . 2]" 1
1291 1 74 GLU QG 1 79 HIS QB 1.800 . 6.000 4.666 4.002 5.199 . 0 0 "[ . 1 . 2]" 1
1292 1 74 GLU HA 1 79 HIS HA 1.800 . 3.300 1.997 1.857 2.160 . 0 0 "[ . 1 . 2]" 1
1293 1 74 GLU HA 1 79 HIS QB 1.800 . 5.000 3.910 3.667 4.333 . 0 0 "[ . 1 . 2]" 1
1294 1 75 PHE H 1 80 ILE H 1.800 . 5.000 3.268 3.080 3.593 . 0 0 "[ . 1 . 2]" 1
1295 1 75 PHE H 1 78 ARG H 1.800 . 5.000 3.552 3.251 4.133 . 0 0 "[ . 1 . 2]" 1
1296 1 75 PHE H 1 79 HIS HA 1.800 . 5.000 2.724 2.498 3.244 . 0 0 "[ . 1 . 2]" 1
1297 1 75 PHE H 1 79 HIS QB 1.800 . 5.500 4.485 4.184 5.156 . 0 0 "[ . 1 . 2]" 1
1298 1 74 GLU HA 1 80 ILE H 1.800 . 5.000 2.375 1.985 2.722 . 0 0 "[ . 1 . 2]" 1
1299 1 5 GLN HA 1 81 THR HB 1.800 . 5.000 2.643 2.265 3.000 . 0 0 "[ . 1 . 2]" 1
1300 1 5 GLN HB3 1 81 THR HB 1.800 . 5.000 3.002 2.549 3.382 . 0 0 "[ . 1 . 2]" 1
1301 1 5 GLN HB2 1 81 THR HB 1.800 . 5.000 4.577 4.119 5.005 0.005 15 0 "[ . 1 . 2]" 1
1302 1 5 GLN QG 1 81 THR HB 1.800 . 5.500 3.289 2.719 3.914 . 0 0 "[ . 1 . 2]" 1
1303 1 5 GLN QG 1 81 THR MG 1.800 . 6.500 3.511 3.307 3.760 . 0 0 "[ . 1 . 2]" 1
1304 1 5 GLN QB 1 81 THR MG 1.800 . 6.500 3.925 3.584 4.226 . 0 0 "[ . 1 . 2]" 1
1305 1 5 GLN H 1 81 THR MG 1.800 . 6.000 5.996 5.855 6.040 0.040 6 0 "[ . 1 . 2]" 1
1306 1 6 ILE H 1 81 THR MG 1.800 . 6.000 4.341 4.051 4.686 . 0 0 "[ . 1 . 2]" 1
1307 1 81 THR MG 1 83 TRP HE1 1.800 . 6.000 1.895 1.795 2.409 0.005 6 0 "[ . 1 . 2]" 1
1308 1 72 GLU QB 1 81 THR HB 1.800 . 5.500 4.670 4.109 5.507 0.007 15 0 "[ . 1 . 2]" 1
1309 1 72 GLU QG 1 81 THR HB 1.800 . 5.500 4.990 3.513 5.501 0.001 16 0 "[ . 1 . 2]" 1
1310 1 72 GLU HA 1 82 LEU H 1.800 . 5.000 2.830 2.352 3.138 . 0 0 "[ . 1 . 2]" 1
1311 1 71 LEU QD 1 82 LEU H 1.800 . 7.000 3.389 2.497 4.513 . 0 0 "[ . 1 . 2]" 1
1312 1 68 PHE QD 1 84 PHE QE 1.800 . 7.000 5.603 5.126 6.229 . 0 0 "[ . 1 . 2]" 1
1313 1 68 PHE HA 1 86 LEU HA 1.800 . 5.000 4.952 4.475 5.133 0.133 18 0 "[ . 1 . 2]" 1
1314 1 90 TRP HH2 1 105 MET H 1.800 . 5.000 4.725 4.260 5.021 0.021 12 0 "[ . 1 . 2]" 1
1315 1 107 LEU QD 1 126 LEU QB 1.800 . 7.500 4.034 2.902 4.977 . 0 0 "[ . 1 . 2]" 1
1316 1 109 GLY HA3 1 129 LEU MD2 1.800 . 5.000 5.022 5.013 5.038 0.038 12 0 "[ . 1 . 2]" 1
1317 1 109 GLY HA2 1 129 LEU MD2 1.800 . 5.000 3.838 3.681 4.117 . 0 0 "[ . 1 . 2]" 1
1318 1 110 LEU QD 1 123 ILE MD 1.800 . 7.000 1.772 1.739 1.856 0.061 20 0 "[ . 1 . 2]" 1
1319 1 110 LEU MD2 1 127 LYS HA 1.800 . 4.300 4.210 3.135 4.332 0.032 19 0 "[ . 1 . 2]" 1
1320 1 110 LEU MD1 1 127 LYS HA 1.800 . 6.000 5.622 4.033 6.019 0.019 1 0 "[ . 1 . 2]" 1
1321 1 110 LEU QD 1 127 LYS QG 1.800 . 6.500 4.284 3.594 4.979 . 0 0 "[ . 1 . 2]" 1
1322 1 111 ASN H 1 115 PHE QE 1.800 . 7.100 6.995 6.774 7.140 0.040 15 0 "[ . 1 . 2]" 1
1323 1 111 ASN HA 1 115 PHE QB 1.800 . 5.500 5.629 5.594 5.665 0.165 13 0 "[ . 1 . 2]" 1
1324 1 111 ASN HB3 1 115 PHE QB 1.800 . 5.500 4.232 3.863 4.691 . 0 0 "[ . 1 . 2]" 1
1325 1 111 ASN HB2 1 115 PHE QB 1.800 . 5.500 5.276 5.015 5.504 0.004 20 0 "[ . 1 . 2]" 1
1326 1 112 ALA H 1 123 ILE MD 1.800 . 6.000 5.507 4.542 5.768 . 0 0 "[ . 1 . 2]" 1
1327 1 112 ALA H 1 123 ILE MG 1.800 . 6.000 3.545 3.118 4.112 . 0 0 "[ . 1 . 2]" 1
1328 1 112 ALA HA 1 123 ILE MD 1.800 . 4.300 4.344 4.320 4.372 0.072 12 0 "[ . 1 . 2]" 1
1329 1 112 ALA HA 1 123 ILE MG 1.800 . 6.000 2.837 2.218 3.411 . 0 0 "[ . 1 . 2]" 1
1330 1 112 ALA MB 1 123 ILE MD 1.800 . 5.300 4.243 3.066 4.632 . 0 0 "[ . 1 . 2]" 1
1331 1 112 ALA MB 1 123 ILE MG 1.800 . 5.300 2.108 1.833 2.998 . 0 0 "[ . 1 . 2]" 1
1332 1 112 ALA MB 1 123 ILE HB 1.800 . 4.300 3.012 2.451 4.349 0.049 15 0 "[ . 1 . 2]" 1
1333 1 112 ALA MB 1 120 GLU HA 1.800 . 6.000 3.541 3.311 3.697 . 0 0 "[ . 1 . 2]" 1
1334 1 112 ALA MB 1 120 GLU HB3 1.800 . 4.300 4.326 4.314 4.355 0.055 10 0 "[ . 1 . 2]" 1
1335 1 112 ALA MB 1 120 GLU HB2 1.800 . 4.300 4.244 3.212 4.329 0.029 6 0 "[ . 1 . 2]" 1
1336 1 115 PHE QB 1 119 ASN HB3 1.800 . 5.500 5.573 5.548 5.604 0.104 12 0 "[ . 1 . 2]" 1
1337 1 115 PHE QB 1 119 ASN HB2 1.800 . 5.500 5.408 5.225 5.507 0.007 4 0 "[ . 1 . 2]" 1
1338 1 115 PHE QD 1 122 VAL MG2 1.800 . 6.400 6.434 6.401 6.487 0.087 18 0 "[ . 1 . 2]" 1
1339 1 115 PHE QE 1 122 VAL MG2 1.800 . 6.400 4.724 4.623 4.881 . 0 0 "[ . 1 . 2]" 1
1340 1 115 PHE HZ 1 122 VAL MG2 1.800 . 6.000 5.262 4.723 5.590 . 0 0 "[ . 1 . 2]" 1
1341 1 115 PHE QD 1 123 ILE MD 1.800 . 6.400 3.837 3.487 5.427 . 0 0 "[ . 1 . 2]" 1
1342 1 115 PHE QE 1 123 ILE MD 1.800 . 7.100 3.502 3.177 4.789 . 0 0 "[ . 1 . 2]" 1
1343 1 84 PHE QD 1 122 VAL MG2 1.800 . 5.900 3.438 2.998 4.075 . 0 0 "[ . 1 . 2]" 1
1344 1 84 PHE QE 1 122 VAL MG2 1.800 . 6.400 2.815 1.917 3.882 . 0 0 "[ . 1 . 2]" 1
1345 1 84 PHE HZ 1 122 VAL MG2 1.800 . 6.000 3.411 2.588 4.189 . 0 0 "[ . 1 . 2]" 1
1346 1 84 PHE QD 1 122 VAL MG1 1.800 . 5.900 2.478 2.034 2.796 . 0 0 "[ . 1 . 2]" 1
1347 1 84 PHE QE 1 122 VAL MG1 1.800 . 6.400 2.472 2.190 2.913 . 0 0 "[ . 1 . 2]" 1
1348 1 84 PHE HZ 1 122 VAL MG1 1.800 . 6.000 3.165 2.737 3.762 . 0 0 "[ . 1 . 2]" 1
1349 1 84 PHE QD 1 123 ILE MG 1.800 . 5.900 5.978 5.956 6.044 0.144 18 0 "[ . 1 . 2]" 1
1350 1 68 PHE QD 1 122 VAL MG2 1.800 . 5.900 5.960 5.928 6.024 0.124 18 0 "[ . 1 . 2]" 1
1351 1 68 PHE QE 1 122 VAL MG2 1.800 . 6.400 4.550 4.375 4.891 . 0 0 "[ . 1 . 2]" 1
1352 1 84 PHE QE 1 123 ILE MD 1.800 . 7.100 2.180 1.902 4.095 . 0 0 "[ . 1 . 2]" 1
1353 1 68 PHE QD 1 123 ILE MD 1.800 . 7.100 5.956 5.606 6.409 . 0 0 "[ . 1 . 2]" 1
1354 1 68 PHE HZ 1 123 ILE MD 1.800 . 4.300 4.235 3.610 4.341 0.041 16 0 "[ . 1 . 2]" 1
1355 1 34 GLU QG 1 119 ASN HB3 1.800 . 5.500 4.871 4.149 5.538 0.038 15 0 "[ . 1 . 2]" 1
1356 1 34 GLU QG 1 119 ASN HB2 1.800 . 5.500 5.017 4.354 5.513 0.013 15 0 "[ . 1 . 2]" 1
1357 1 34 GLU QB 1 119 ASN HB3 1.800 . 7.000 6.502 4.334 7.005 0.005 19 0 "[ . 1 . 2]" 1
1358 1 34 GLU QB 1 119 ASN HB2 1.800 . 7.000 6.534 4.653 7.000 0.000 1 0 "[ . 1 . 2]" 1
1359 1 8 VAL HB 1 37 GLY HA3 1.800 . 3.800 3.539 3.321 3.670 . 0 0 "[ . 1 . 2]" 1
1360 1 8 VAL HB 1 37 GLY HA2 1.800 . 5.000 5.074 5.004 5.123 0.123 20 0 "[ . 1 . 2]" 1
1361 1 8 VAL HA 1 37 GLY HA3 1.800 . 4.300 2.144 1.787 2.381 0.013 4 0 "[ . 1 . 2]" 1
1362 1 8 VAL HA 1 37 GLY HA2 1.800 . 4.300 3.870 3.445 4.121 . 0 0 "[ . 1 . 2]" 1
1363 1 82 LEU MD1 1 122 VAL MG1 1.800 . 5.300 4.565 2.889 5.356 0.056 17 0 "[ . 1 . 2]" 1
1364 1 71 LEU MD1 1 122 VAL MG1 1.800 . 5.800 3.982 2.894 4.783 . 0 0 "[ . 1 . 2]" 1
1365 1 75 PHE QD 1 80 ILE MD 1.800 . 5.800 4.888 4.369 5.831 0.031 2 0 "[ . 1 . 2]" 1
1366 1 75 PHE QD 1 80 ILE MG 1.800 . 7.100 2.862 2.324 3.567 . 0 0 "[ . 1 . 2]" 1
1367 1 75 PHE QD 1 80 ILE HB 1.800 . 5.000 4.962 4.589 5.029 0.029 19 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 6
_Distance_constraint_stats_list.Viol_count 79
_Distance_constraint_stats_list.Viol_total 360.672
_Distance_constraint_stats_list.Viol_max 1.607
_Distance_constraint_stats_list.Viol_rms 0.2963
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1503
_Distance_constraint_stats_list.Viol_average_violations_only 0.2283
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 38 GLY 6.507 1.607 10 4 "[* - + . * 2]"
1 53 GLU 7.383 1.188 3 7 "[ + . - * .* ***]"
1 56 GLU 9.480 1.607 10 6 "[ * .* +* . **2]"
1 57 GLU 12.697 1.188 3 11 "[*-+ ** ** * .* **]"
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 56 GLU OE1 1 57 GLU OE2 3.000 3.000 4.500 3.692 2.401 5.593 1.093 10 5 "[ - .* +* . *2]" 2
2 1 53 GLU OE2 1 57 GLU OE2 3.000 3.000 4.500 4.472 2.988 5.688 1.188 3 5 "[ + . 1 - .* **]" 2
3 1 38 GLY O 1 57 GLU OE2 3.000 3.000 4.500 3.261 2.416 4.455 0.584 1 2 "[+ - 1 . 2]" 2
4 1 53 GLU OE2 1 56 GLU OE1 3.000 3.000 4.500 2.972 2.482 3.386 0.518 18 2 "[ . - . + 2]" 2
5 1 38 GLY O 1 56 GLU OE1 3.000 3.000 4.500 4.671 4.516 6.107 1.607 10 2 "[ . + . - 2]" 2
6 1 38 GLY O 1 53 GLU OE2 3.000 3.000 4.500 3.554 2.993 5.188 0.688 10 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 3
_Distance_constraint_stats_list.Viol_count 60
_Distance_constraint_stats_list.Viol_total 48.457
_Distance_constraint_stats_list.Viol_max 0.104
_Distance_constraint_stats_list.Viol_rms 0.0179
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0404
_Distance_constraint_stats_list.Viol_average_violations_only 0.0404
_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 78 ARG 1.048 0.104 5 0 "[ . 1 . 2]"
1 119 ASN 1.375 0.075 5 0 "[ . 1 . 2]"
3 1 8OG 2.423 0.104 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 119 ASN ND2 3 1 8OG O8 2.600 2.600 3.000 3.039 3.026 3.075 0.075 5 0 "[ . 1 . 2]" 3
2 1 119 ASN OD1 3 1 8OG N7 2.600 2.600 3.000 3.030 3.025 3.036 0.036 9 0 "[ . 1 . 2]" 3
3 1 78 ARG NH1 3 1 8OG O6 2.600 2.600 3.000 3.052 3.014 3.104 0.104 5 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 82
_Distance_constraint_stats_list.Viol_count 105
_Distance_constraint_stats_list.Viol_total 83.565
_Distance_constraint_stats_list.Viol_max 0.211
_Distance_constraint_stats_list.Viol_rms 0.0154
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0398
_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 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ILE 0.020 0.009 15 0 "[ . 1 . 2]"
1 8 VAL 0.009 0.007 1 0 "[ . 1 . 2]"
1 10 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ILE 0.024 0.012 20 0 "[ . 1 . 2]"
1 12 ARG 2.598 0.211 12 0 "[ . 1 . 2]"
1 13 ASN 0.276 0.043 18 0 "[ . 1 . 2]"
1 16 ASN 0.257 0.034 17 0 "[ . 1 . 2]"
1 17 GLU 0.276 0.043 18 0 "[ . 1 . 2]"
1 18 ILE 0.006 0.006 14 0 "[ . 1 . 2]"
1 19 PHE 0.024 0.012 20 0 "[ . 1 . 2]"
1 20 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.127 0.064 16 0 "[ . 1 . 2]"
1 51 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLU 0.011 0.011 7 0 "[ . 1 . 2]"
1 54 LEU 0.147 0.064 16 0 "[ . 1 . 2]"
1 55 GLN 0.011 0.011 16 0 "[ . 1 . 2]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLU 0.011 0.011 7 0 "[ . 1 . 2]"
1 58 VAL 0.020 0.014 18 0 "[ . 1 . 2]"
1 59 GLY 0.011 0.011 16 0 "[ . 1 . 2]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 THR 0.020 0.009 15 0 "[ . 1 . 2]"
1 82 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 TRP 0.009 0.007 1 0 "[ . 1 . 2]"
1 87 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ARG 2.598 0.211 12 0 "[ . 1 . 2]"
1 103 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 MET 0.006 0.006 14 0 "[ . 1 . 2]"
1 107 LEU 0.257 0.034 17 0 "[ . 1 . 2]"
1 119 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLU 0.214 0.044 2 0 "[ . 1 . 2]"
1 121 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 ILE 0.605 0.053 9 0 "[ . 1 . 2]"
1 124 ALA 0.214 0.044 2 0 "[ . 1 . 2]"
1 125 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 LYS 0.605 0.053 9 0 "[ . 1 . 2]"
1 128 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 LEU 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 11 ILE H 1 19 PHE O 1.500 . 4.000 3.658 3.215 4.012 0.012 20 0 "[ . 1 . 2]" 4
2 1 11 ILE N 1 19 PHE O 2.500 2.500 6.000 4.415 3.895 4.786 . 0 0 "[ . 1 . 2]" 4
3 1 13 ASN H 1 17 GLU O 1.500 . 4.000 1.587 1.507 1.634 . 0 0 "[ . 1 . 2]" 4
4 1 13 ASN N 1 17 GLU O 2.500 2.500 6.000 2.497 2.457 2.599 0.043 18 0 "[ . 1 . 2]" 4
5 1 11 ILE O 1 19 PHE H 1.500 . 4.000 2.158 1.601 2.536 . 0 0 "[ . 1 . 2]" 4
6 1 11 ILE O 1 19 PHE N 2.500 2.500 6.000 2.974 2.490 3.305 0.010 12 0 "[ . 1 . 2]" 4
7 1 4 LEU H 1 79 HIS O 1.500 . 4.000 1.662 1.581 1.848 . 0 0 "[ . 1 . 2]" 4
8 1 4 LEU N 1 79 HIS O 2.500 2.500 6.000 2.608 2.558 2.732 . 0 0 "[ . 1 . 2]" 4
9 1 6 ILE H 1 81 THR O 1.500 . 4.000 1.862 1.677 2.181 . 0 0 "[ . 1 . 2]" 4
10 1 6 ILE N 1 81 THR O 2.500 2.500 6.000 2.568 2.491 2.896 0.009 15 0 "[ . 1 . 2]" 4
11 1 8 VAL H 1 83 TRP O 1.500 . 4.000 1.663 1.589 1.806 . 0 0 "[ . 1 . 2]" 4
12 1 8 VAL N 1 83 TRP O 2.500 2.500 6.000 2.624 2.558 2.757 . 0 0 "[ . 1 . 2]" 4
13 1 10 ILE H 1 85 TRP O 1.500 . 4.000 2.381 2.081 2.700 . 0 0 "[ . 1 . 2]" 4
14 1 10 ILE N 1 85 TRP O 2.500 2.500 6.000 3.173 2.925 3.473 . 0 0 "[ . 1 . 2]" 4
15 1 12 ARG H 1 87 VAL O 1.500 . 4.000 3.250 2.879 3.396 . 0 0 "[ . 1 . 2]" 4
16 1 12 ARG N 1 87 VAL O 2.500 2.500 6.000 3.794 3.631 3.901 . 0 0 "[ . 1 . 2]" 4
17 1 4 LEU O 1 81 THR H 1.500 . 4.000 2.062 1.775 2.418 . 0 0 "[ . 1 . 2]" 4
18 1 4 LEU O 1 81 THR N 2.500 2.500 6.000 2.932 2.746 3.151 . 0 0 "[ . 1 . 2]" 4
19 1 6 ILE O 1 83 TRP H 1.500 . 4.000 1.782 1.594 2.093 . 0 0 "[ . 1 . 2]" 4
20 1 6 ILE O 1 83 TRP N 2.500 2.500 6.000 2.708 2.518 2.937 . 0 0 "[ . 1 . 2]" 4
21 1 8 VAL O 1 85 TRP H 1.500 . 4.000 1.630 1.535 1.763 . 0 0 "[ . 1 . 2]" 4
22 1 8 VAL O 1 85 TRP N 2.500 2.500 6.000 2.558 2.493 2.634 0.007 1 0 "[ . 1 . 2]" 4
23 1 10 ILE O 1 87 VAL H 1.500 . 4.000 2.686 2.483 2.919 . 0 0 "[ . 1 . 2]" 4
24 1 10 ILE O 1 87 VAL N 2.500 2.500 6.000 3.344 3.213 3.530 . 0 0 "[ . 1 . 2]" 4
25 1 12 ARG O 1 89 ARG H 1.500 . 4.000 4.130 4.099 4.211 0.211 12 0 "[ . 1 . 2]" 4
26 1 12 ARG O 1 89 ARG N 2.500 2.500 6.000 3.487 3.292 3.567 . 0 0 "[ . 1 . 2]" 4
27 1 75 PHE H 1 78 ARG O 1.500 . 4.000 1.732 1.599 2.285 . 0 0 "[ . 1 . 2]" 4
28 1 75 PHE N 1 78 ARG O 2.500 2.500 6.000 2.553 2.502 2.589 . 0 0 "[ . 1 . 2]" 4
29 1 73 TYR H 1 80 ILE O 1.500 . 4.000 2.546 2.292 2.763 . 0 0 "[ . 1 . 2]" 4
30 1 73 TYR N 1 80 ILE O 2.500 2.500 6.000 3.399 3.204 3.556 . 0 0 "[ . 1 . 2]" 4
31 1 71 LEU H 1 82 LEU O 1.500 . 4.000 2.061 1.779 2.311 . 0 0 "[ . 1 . 2]" 4
32 1 71 LEU N 1 82 LEU O 2.500 2.500 6.000 2.793 2.542 3.094 . 0 0 "[ . 1 . 2]" 4
33 1 69 GLU H 1 84 PHE O 1.500 . 4.000 2.086 1.686 2.834 . 0 0 "[ . 1 . 2]" 4
34 1 69 GLU N 1 84 PHE O 2.500 2.500 6.000 3.037 2.653 3.718 . 0 0 "[ . 1 . 2]" 4
35 1 73 TYR O 1 80 ILE H 1.500 . 4.000 2.488 2.178 2.688 . 0 0 "[ . 1 . 2]" 4
36 1 73 TYR O 1 80 ILE N 2.500 2.500 6.000 3.216 2.983 3.442 . 0 0 "[ . 1 . 2]" 4
37 1 71 LEU O 1 82 LEU H 1.500 . 4.000 2.125 1.819 2.465 . 0 0 "[ . 1 . 2]" 4
38 1 71 LEU O 1 82 LEU N 2.500 2.500 6.000 2.934 2.592 3.189 . 0 0 "[ . 1 . 2]" 4
39 1 69 GLU O 1 84 PHE H 1.500 . 4.000 2.055 1.746 2.963 . 0 0 "[ . 1 . 2]" 4
40 1 69 GLU O 1 84 PHE N 2.500 2.500 6.000 2.812 2.518 3.641 . 0 0 "[ . 1 . 2]" 4
41 1 20 ILE H 1 103 GLU O 1.500 . 4.000 2.987 2.661 3.501 . 0 0 "[ . 1 . 2]" 4
42 1 20 ILE N 1 103 GLU O 2.500 2.500 6.000 3.777 3.538 4.231 . 0 0 "[ . 1 . 2]" 4
43 1 18 ILE H 1 105 MET O 1.500 . 4.000 1.820 1.660 1.940 . 0 0 "[ . 1 . 2]" 4
44 1 18 ILE N 1 105 MET O 2.500 2.500 6.000 2.552 2.494 2.706 0.006 14 0 "[ . 1 . 2]" 4
45 1 16 ASN O 1 107 LEU H 1.500 . 4.000 3.936 3.306 4.034 0.034 17 0 "[ . 1 . 2]" 4
46 1 16 ASN O 1 107 LEU N 2.500 2.500 6.000 4.838 4.240 4.977 . 0 0 "[ . 1 . 2]" 4
47 1 18 ILE O 1 105 MET H 1.500 . 4.000 2.115 1.855 2.578 . 0 0 "[ . 1 . 2]" 4
48 1 18 ILE O 1 105 MET N 2.500 2.500 6.000 3.007 2.767 3.457 . 0 0 "[ . 1 . 2]" 4
49 1 20 ILE O 1 103 GLU H 1.500 . 4.000 3.095 2.600 3.493 . 0 0 "[ . 1 . 2]" 4
50 1 20 ILE O 1 103 GLU N 2.500 2.500 6.000 3.831 3.417 4.183 . 0 0 "[ . 1 . 2]" 4
51 1 47 GLU O 1 51 VAL H 1.500 . 4.000 2.641 2.429 2.819 . 0 0 "[ . 1 . 2]" 4
52 1 47 GLU O 1 51 VAL N 2.500 2.500 6.000 3.565 3.368 3.743 . 0 0 "[ . 1 . 2]" 4
53 1 48 GLN O 1 52 ARG H 1.500 . 4.000 1.955 1.680 2.189 . 0 0 "[ . 1 . 2]" 4
54 1 48 GLN O 1 52 ARG N 2.500 2.500 6.000 2.811 2.562 3.051 . 0 0 "[ . 1 . 2]" 4
55 1 49 ALA O 1 53 GLU H 1.500 . 4.000 2.250 2.049 2.406 . 0 0 "[ . 1 . 2]" 4
56 1 49 ALA O 1 53 GLU N 2.500 2.500 6.000 3.157 2.957 3.299 . 0 0 "[ . 1 . 2]" 4
57 1 50 VAL O 1 54 LEU H 1.500 . 4.000 1.798 1.643 1.970 . 0 0 "[ . 1 . 2]" 4
58 1 50 VAL O 1 54 LEU N 2.500 2.500 6.000 2.547 2.436 2.676 0.064 16 0 "[ . 1 . 2]" 4
59 1 51 VAL O 1 55 GLN H 1.500 . 4.000 3.116 2.981 3.281 . 0 0 "[ . 1 . 2]" 4
60 1 51 VAL O 1 55 GLN N 2.500 2.500 6.000 3.990 3.863 4.157 . 0 0 "[ . 1 . 2]" 4
61 1 52 ARG O 1 56 GLU H 1.500 . 4.000 2.834 2.557 3.421 . 0 0 "[ . 1 . 2]" 4
62 1 52 ARG O 1 56 GLU N 2.500 2.500 6.000 3.714 3.421 4.222 . 0 0 "[ . 1 . 2]" 4
63 1 53 GLU O 1 57 GLU H 1.500 . 4.000 1.909 1.680 2.573 . 0 0 "[ . 1 . 2]" 4
64 1 53 GLU O 1 57 GLU N 2.500 2.500 6.000 2.676 2.489 3.243 0.011 7 0 "[ . 1 . 2]" 4
65 1 54 LEU O 1 58 VAL H 1.500 . 4.000 2.246 2.031 2.816 . 0 0 "[ . 1 . 2]" 4
66 1 54 LEU O 1 58 VAL N 2.500 2.500 6.000 2.661 2.486 3.207 0.014 18 0 "[ . 1 . 2]" 4
67 1 55 GLN O 1 59 GLY H 1.500 . 4.000 2.082 1.745 2.328 . 0 0 "[ . 1 . 2]" 4
68 1 55 GLN O 1 59 GLY N 2.500 2.500 6.000 2.741 2.489 2.948 0.011 16 0 "[ . 1 . 2]" 4
69 1 119 ASN O 1 123 ILE N 2.500 2.500 6.000 4.099 3.898 4.272 . 0 0 "[ . 1 . 2]" 4
70 1 119 ASN O 1 123 ILE H 1.500 . 4.000 3.123 2.921 3.293 . 0 0 "[ . 1 . 2]" 4
71 1 120 GLU O 1 124 ALA N 2.500 2.500 6.000 2.507 2.456 2.727 0.044 2 0 "[ . 1 . 2]" 4
72 1 120 GLU O 1 124 ALA H 1.500 . 4.000 1.568 1.531 1.751 . 0 0 "[ . 1 . 2]" 4
73 1 121 PRO O 1 125 LYS H 1.500 . 4.000 3.241 3.153 3.305 . 0 0 "[ . 1 . 2]" 4
74 1 121 PRO O 1 125 LYS N 2.500 2.500 6.000 3.986 3.921 4.034 . 0 0 "[ . 1 . 2]" 4
75 1 122 VAL O 1 126 LEU H 1.500 . 4.000 2.627 2.243 3.026 . 0 0 "[ . 1 . 2]" 4
76 1 122 VAL O 1 126 LEU N 2.500 2.500 6.000 3.577 3.207 3.937 . 0 0 "[ . 1 . 2]" 4
77 1 123 ILE O 1 127 LYS H 1.500 . 4.000 1.598 1.539 1.765 . 0 0 "[ . 1 . 2]" 4
78 1 123 ILE O 1 127 LYS N 2.500 2.500 6.000 2.473 2.447 2.561 0.053 9 0 "[ . 1 . 2]" 4
79 1 124 ALA O 1 128 ARG H 1.500 . 4.000 2.826 2.078 3.050 . 0 0 "[ . 1 . 2]" 4
80 1 124 ALA O 1 128 ARG N 2.500 2.500 6.000 3.707 3.003 3.937 . 0 0 "[ . 1 . 2]" 4
81 1 125 LYS O 1 129 LEU H 1.500 . 4.000 3.453 3.150 3.647 . 0 0 "[ . 1 . 2]" 4
82 1 125 LYS O 1 129 LEU N 2.500 2.500 6.000 3.951 3.655 4.146 . 0 0 "[ . 1 . 2]" 4
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