NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392357 |
1pus   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1pus
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 3408
_Distance_constraint_stats_list.Viol_total 3119.288
_Distance_constraint_stats_list.Viol_max 0.247
_Distance_constraint_stats_list.Viol_rms 0.0223
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0057
_Distance_constraint_stats_list.Viol_average_violations_only 0.0458
_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 0.250 0.020 11 0 "[ . 1 . 2]"
1 4 LEU 0.638 0.051 7 0 "[ . 1 . 2]"
1 5 GLN 5.368 0.073 10 0 "[ . 1 . 2]"
1 6 ILE 2.488 0.155 5 0 "[ . 1 . 2]"
1 7 ALA 7.669 0.194 5 0 "[ . 1 . 2]"
1 8 VAL 2.062 0.115 8 0 "[ . 1 . 2]"
1 9 GLY 1.774 0.098 7 0 "[ . 1 . 2]"
1 10 ILE 1.970 0.070 13 0 "[ . 1 . 2]"
1 11 ILE 3.644 0.166 18 0 "[ . 1 . 2]"
1 12 ARG 3.597 0.138 20 0 "[ . 1 . 2]"
1 13 ASN 6.359 0.207 5 0 "[ . 1 . 2]"
1 14 GLU 5.124 0.207 5 0 "[ . 1 . 2]"
1 15 ASN 1.206 0.140 20 0 "[ . 1 . 2]"
1 16 ASN 1.402 0.055 20 0 "[ . 1 . 2]"
1 17 GLU 0.213 0.049 10 0 "[ . 1 . 2]"
1 18 ILE 2.091 0.120 20 0 "[ . 1 . 2]"
1 19 PHE 0.719 0.048 20 0 "[ . 1 . 2]"
1 20 ILE 2.434 0.161 3 0 "[ . 1 . 2]"
1 21 THR 0.325 0.040 19 0 "[ . 1 . 2]"
1 22 ARG 0.804 0.096 4 0 "[ . 1 . 2]"
1 23 ARG 1.154 0.121 10 0 "[ . 1 . 2]"
1 24 ALA 1.375 0.121 10 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ASP 0.000 0.000 . 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 0.036 0.011 12 0 "[ . 1 . 2]"
1 31 ASN 0.237 0.048 20 0 "[ . 1 . 2]"
1 32 LYS 3.601 0.127 12 0 "[ . 1 . 2]"
1 33 LEU 4.465 0.127 12 0 "[ . 1 . 2]"
1 34 GLU 0.946 0.044 12 0 "[ . 1 . 2]"
1 35 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 PRO 0.783 0.076 14 0 "[ . 1 . 2]"
1 37 GLY 4.166 0.190 5 0 "[ . 1 . 2]"
1 38 GLY 6.665 0.190 5 0 "[ . 1 . 2]"
1 39 LYS 2.572 0.087 3 0 "[ . 1 . 2]"
1 40 ILE 11.010 0.194 5 0 "[ . 1 . 2]"
1 41 GLU 6.848 0.187 15 0 "[ . 1 . 2]"
1 42 MET 2.361 0.136 6 0 "[ . 1 . 2]"
1 43 GLY 3.230 0.171 10 0 "[ . 1 . 2]"
1 44 GLU 4.246 0.171 10 0 "[ . 1 . 2]"
1 45 THR 2.259 0.108 6 0 "[ . 1 . 2]"
1 46 PRO 0.900 0.062 18 0 "[ . 1 . 2]"
1 47 GLU 0.061 0.008 5 0 "[ . 1 . 2]"
1 48 GLN 1.861 0.108 6 0 "[ . 1 . 2]"
1 49 ALA 0.472 0.038 16 0 "[ . 1 . 2]"
1 50 VAL 3.663 0.143 8 0 "[ . 1 . 2]"
1 51 VAL 1.641 0.069 16 0 "[ . 1 . 2]"
1 52 ARG 2.775 0.143 8 0 "[ . 1 . 2]"
1 53 GLU 0.316 0.055 12 0 "[ . 1 . 2]"
1 54 LEU 3.227 0.132 17 0 "[ . 1 . 2]"
1 55 GLN 1.150 0.067 3 0 "[ . 1 . 2]"
1 56 GLU 1.604 0.109 8 0 "[ . 1 . 2]"
1 57 GLU 2.884 0.132 17 0 "[ . 1 . 2]"
1 58 VAL 4.932 0.176 3 0 "[ . 1 . 2]"
1 59 GLY 4.389 0.195 18 0 "[ . 1 . 2]"
1 60 ILE 10.295 0.207 10 0 "[ . 1 . 2]"
1 61 THR 6.749 0.182 10 0 "[ . 1 . 2]"
1 62 PRO 2.899 0.128 3 0 "[ . 1 . 2]"
1 63 GLN 1.669 0.147 15 0 "[ . 1 . 2]"
1 64 HIS 6.963 0.173 15 0 "[ . 1 . 2]"
1 65 PHE 6.367 0.214 5 0 "[ . 1 . 2]"
1 66 SER 1.122 0.137 6 0 "[ . 1 . 2]"
1 67 LEU 0.507 0.124 7 0 "[ . 1 . 2]"
1 68 PHE 2.272 0.102 15 0 "[ . 1 . 2]"
1 69 GLU 0.299 0.029 16 0 "[ . 1 . 2]"
1 70 LYS 1.239 0.073 2 0 "[ . 1 . 2]"
1 71 LEU 0.592 0.064 7 0 "[ . 1 . 2]"
1 72 GLU 1.149 0.058 1 0 "[ . 1 . 2]"
1 73 TYR 0.098 0.018 11 0 "[ . 1 . 2]"
1 74 GLU 0.905 0.084 18 0 "[ . 1 . 2]"
1 75 PHE 1.627 0.105 14 0 "[ . 1 . 2]"
1 76 PRO 1.826 0.111 8 0 "[ . 1 . 2]"
1 77 ASP 1.748 0.111 8 0 "[ . 1 . 2]"
1 78 ARG 0.167 0.015 5 0 "[ . 1 . 2]"
1 79 HIS 0.821 0.051 7 0 "[ . 1 . 2]"
1 80 ILE 2.189 0.106 9 0 "[ . 1 . 2]"
1 81 THR 1.176 0.081 10 0 "[ . 1 . 2]"
1 82 LEU 0.429 0.041 16 0 "[ . 1 . 2]"
1 83 TRP 3.207 0.161 2 0 "[ . 1 . 2]"
1 84 PHE 4.096 0.161 2 0 "[ . 1 . 2]"
1 85 TRP 0.482 0.040 11 0 "[ . 1 . 2]"
1 86 LEU 1.942 0.102 15 0 "[ . 1 . 2]"
1 87 VAL 8.081 0.247 20 0 "[ . 1 . 2]"
1 88 GLU 7.993 0.247 20 0 "[ . 1 . 2]"
1 89 ARG 3.959 0.173 15 0 "[ . 1 . 2]"
1 90 TRP 1.929 0.068 9 0 "[ . 1 . 2]"
1 91 GLU 1.821 0.119 10 0 "[ . 1 . 2]"
1 92 GLY 0.122 0.062 16 0 "[ . 1 . 2]"
1 93 GLU 0.283 0.062 16 0 "[ . 1 . 2]"
1 94 PRO 1.399 0.070 11 0 "[ . 1 . 2]"
1 95 TRP 7.368 0.176 3 0 "[ . 1 . 2]"
1 96 GLY 0.147 0.025 11 0 "[ . 1 . 2]"
1 97 LYS 0.043 0.041 14 0 "[ . 1 . 2]"
1 98 GLU 2.632 0.208 20 0 "[ . 1 . 2]"
1 99 GLY 0.050 0.021 13 0 "[ . 1 . 2]"
1 100 GLN 2.354 0.135 20 0 "[ . 1 . 2]"
1 101 PRO 2.404 0.135 20 0 "[ . 1 . 2]"
1 102 GLY 0.232 0.040 19 0 "[ . 1 . 2]"
1 103 GLU 0.091 0.022 11 0 "[ . 1 . 2]"
1 104 TRP 1.981 0.124 20 0 "[ . 1 . 2]"
1 105 MET 0.355 0.035 15 0 "[ . 1 . 2]"
1 106 SER 0.147 0.033 8 0 "[ . 1 . 2]"
1 107 LEU 0.425 0.049 10 0 "[ . 1 . 2]"
1 108 VAL 0.011 0.010 17 0 "[ . 1 . 2]"
1 109 GLY 0.949 0.068 15 0 "[ . 1 . 2]"
1 110 LEU 1.688 0.068 15 0 "[ . 1 . 2]"
1 111 ASN 3.289 0.141 4 0 "[ . 1 . 2]"
1 112 ALA 2.439 0.080 7 0 "[ . 1 . 2]"
1 113 ASP 0.000 0.000 2 0 "[ . 1 . 2]"
1 114 ASP 2.246 0.052 15 0 "[ . 1 . 2]"
1 115 PHE 5.183 0.141 4 0 "[ . 1 . 2]"
1 117 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ALA 1.719 0.115 17 0 "[ . 1 . 2]"
1 119 ASN 2.658 0.115 17 0 "[ . 1 . 2]"
1 120 GLU 1.528 0.120 19 0 "[ . 1 . 2]"
1 121 PRO 0.834 0.059 9 0 "[ . 1 . 2]"
1 122 VAL 2.358 0.087 11 0 "[ . 1 . 2]"
1 123 ILE 4.437 0.091 1 0 "[ . 1 . 2]"
1 124 ALA 0.162 0.026 5 0 "[ . 1 . 2]"
1 125 LYS 2.185 0.087 11 0 "[ . 1 . 2]"
1 126 LEU 0.715 0.047 18 0 "[ . 1 . 2]"
1 127 LYS 4.507 0.166 9 0 "[ . 1 . 2]"
1 128 ARG 0.492 0.025 12 0 "[ . 1 . 2]"
1 129 LEU 4.381 0.166 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 LYS HA 1 4 LEU H 1.800 . 2.800 2.192 2.138 2.275 . 0 0 "[ . 1 . 2]" 1
2 1 4 LEU HA 1 5 GLN H 1.800 . 2.800 2.179 2.141 2.222 . 0 0 "[ . 1 . 2]" 1
3 1 5 GLN HA 1 6 ILE H 1.800 . 2.800 2.253 2.211 2.313 . 0 0 "[ . 1 . 2]" 1
4 1 6 ILE HA 1 7 ALA H 1.800 . 2.800 2.187 2.152 2.224 . 0 0 "[ . 1 . 2]" 1
5 1 7 ALA HA 1 8 VAL H 1.800 . 2.800 2.182 2.147 2.306 . 0 0 "[ . 1 . 2]" 1
6 1 8 VAL HA 1 9 GLY H 1.800 . 2.800 2.331 2.243 2.386 . 0 0 "[ . 1 . 2]" 1
7 1 9 GLY HA3 1 10 ILE H 1.800 . 3.300 3.275 3.089 3.347 0.047 19 0 "[ . 1 . 2]" 1
8 1 9 GLY HA2 1 10 ILE H 1.800 . 3.300 2.152 2.127 2.191 . 0 0 "[ . 1 . 2]" 1
9 1 10 ILE HA 1 11 ILE H 1.800 . 2.800 2.174 2.141 2.231 . 0 0 "[ . 1 . 2]" 1
10 1 11 ILE HA 1 12 ARG H 1.800 . 2.800 2.114 2.094 2.134 . 0 0 "[ . 1 . 2]" 1
11 1 12 ARG HA 1 13 ASN H 1.800 . 2.800 2.130 2.079 2.299 . 0 0 "[ . 1 . 2]" 1
12 1 17 GLU HA 1 18 ILE H 1.800 . 2.800 2.367 2.237 2.434 . 0 0 "[ . 1 . 2]" 1
13 1 18 ILE HA 1 19 PHE H 1.800 . 2.800 2.183 2.123 2.247 . 0 0 "[ . 1 . 2]" 1
14 1 19 PHE HA 1 20 ILE H 1.800 . 2.800 2.152 2.113 2.199 . 0 0 "[ . 1 . 2]" 1
15 1 20 ILE HA 1 21 THR H 1.800 . 2.800 2.218 2.139 2.408 . 0 0 "[ . 1 . 2]" 1
16 1 21 THR HA 1 22 ARG H 1.800 . 5.000 2.151 2.127 2.161 . 0 0 "[ . 1 . 2]" 1
17 1 22 ARG HA 1 23 ARG H 1.800 . 3.800 2.427 2.285 2.511 . 0 0 "[ . 1 . 2]" 1
18 1 69 GLU HA 1 70 LYS H 1.800 . 2.800 2.311 2.182 2.454 . 0 0 "[ . 1 . 2]" 1
19 1 70 LYS HA 1 71 LEU H 1.800 . 2.800 2.172 2.148 2.186 . 0 0 "[ . 1 . 2]" 1
20 1 71 LEU HA 1 72 GLU H 1.800 . 2.800 2.234 2.136 2.458 . 0 0 "[ . 1 . 2]" 1
21 1 72 GLU HA 1 73 TYR H 1.800 . 2.800 2.151 2.137 2.195 . 0 0 "[ . 1 . 2]" 1
22 1 73 TYR HA 1 74 GLU H 1.800 . 2.800 2.278 2.190 2.324 . 0 0 "[ . 1 . 2]" 1
23 1 74 GLU HA 1 75 PHE H 1.800 . 2.800 2.133 2.103 2.175 . 0 0 "[ . 1 . 2]" 1
24 1 78 ARG HA 1 79 HIS H 1.800 . 2.800 2.249 2.206 2.291 . 0 0 "[ . 1 . 2]" 1
25 1 79 HIS HA 1 80 ILE H 1.800 . 2.800 2.187 2.153 2.229 . 0 0 "[ . 1 . 2]" 1
26 1 80 ILE HA 1 81 THR H 1.800 . 2.800 2.155 2.122 2.292 . 0 0 "[ . 1 . 2]" 1
27 1 81 THR HA 1 82 LEU H 1.800 . 2.800 2.165 2.150 2.179 . 0 0 "[ . 1 . 2]" 1
28 1 82 LEU HA 1 83 TRP H 1.800 . 2.800 2.138 2.129 2.144 . 0 0 "[ . 1 . 2]" 1
29 1 83 TRP HA 1 84 PHE H 1.800 . 2.800 2.132 2.106 2.189 . 0 0 "[ . 1 . 2]" 1
30 1 84 PHE HA 1 85 TRP H 1.800 . 2.800 2.146 2.131 2.160 . 0 0 "[ . 1 . 2]" 1
31 1 85 TRP HA 1 86 LEU H 1.800 . 2.800 2.257 2.187 2.313 . 0 0 "[ . 1 . 2]" 1
32 1 86 LEU HA 1 87 VAL H 1.800 . 2.800 2.156 2.107 2.197 . 0 0 "[ . 1 . 2]" 1
33 1 87 VAL HA 1 88 GLU H 1.800 . 2.800 2.268 2.241 2.283 . 0 0 "[ . 1 . 2]" 1
34 1 103 GLU HA 1 104 TRP H 1.800 . 2.800 2.360 2.318 2.376 . 0 0 "[ . 1 . 2]" 1
35 1 104 TRP HA 1 105 MET H 1.800 . 2.800 2.157 2.149 2.176 . 0 0 "[ . 1 . 2]" 1
36 1 105 MET HA 1 106 SER H 1.800 . 3.300 2.319 2.209 2.406 . 0 0 "[ . 1 . 2]" 1
37 1 106 SER HA 1 107 LEU H 1.800 . 2.800 2.143 2.135 2.149 . 0 0 "[ . 1 . 2]" 1
38 1 47 GLU H 1 48 GLN H 1.800 . 2.800 2.351 2.161 2.682 . 0 0 "[ . 1 . 2]" 1
39 1 48 GLN H 1 49 ALA H 1.800 . 2.800 2.498 2.431 2.562 . 0 0 "[ . 1 . 2]" 1
40 1 49 ALA H 1 50 VAL H 1.800 . 2.800 2.813 2.774 2.828 0.028 12 0 "[ . 1 . 2]" 1
41 1 50 VAL H 1 51 VAL H 1.800 . 2.800 2.503 2.479 2.538 . 0 0 "[ . 1 . 2]" 1
42 1 51 VAL H 1 52 ARG H 1.800 . 2.800 2.768 2.701 2.834 0.034 14 0 "[ . 1 . 2]" 1
43 1 52 ARG H 1 53 GLU H 1.800 . 2.800 2.526 2.433 2.576 . 0 0 "[ . 1 . 2]" 1
44 1 53 GLU H 1 54 LEU H 1.800 . 2.800 2.577 2.449 2.627 . 0 0 "[ . 1 . 2]" 1
45 1 54 LEU H 1 55 GLN H 1.800 . 2.800 2.767 2.705 2.808 0.008 10 0 "[ . 1 . 2]" 1
46 1 55 GLN H 1 56 GLU H 1.800 . 2.800 2.541 2.474 2.586 . 0 0 "[ . 1 . 2]" 1
47 1 56 GLU H 1 57 GLU H 1.800 . 2.800 2.432 2.367 2.476 . 0 0 "[ . 1 . 2]" 1
48 1 57 GLU H 1 58 VAL H 1.800 . 2.800 2.316 2.291 2.344 . 0 0 "[ . 1 . 2]" 1
49 1 58 VAL H 1 59 GLY H 1.800 . 2.800 1.887 1.870 1.905 . 0 0 "[ . 1 . 2]" 1
50 1 59 GLY H 1 60 ILE H 1.800 . 3.300 3.331 3.311 3.382 0.082 20 0 "[ . 1 . 2]" 1
51 1 47 GLU H 1 49 ALA H 1.800 . 5.000 3.418 3.368 3.483 . 0 0 "[ . 1 . 2]" 1
52 1 49 ALA H 1 51 VAL H 1.800 . 5.000 4.084 3.927 4.224 . 0 0 "[ . 1 . 2]" 1
53 1 51 VAL H 1 53 GLU H 1.800 . 5.000 4.334 4.040 4.487 . 0 0 "[ . 1 . 2]" 1
54 1 52 ARG H 1 54 LEU H 1.800 . 5.000 3.646 3.541 3.726 . 0 0 "[ . 1 . 2]" 1
55 1 53 GLU H 1 55 GLN H 1.800 . 5.000 4.551 4.491 4.607 . 0 0 "[ . 1 . 2]" 1
56 1 55 GLN H 1 57 GLU H 1.800 . 5.000 3.898 3.806 4.065 . 0 0 "[ . 1 . 2]" 1
57 1 56 GLU H 1 58 VAL H 1.800 . 5.000 3.848 3.787 3.872 . 0 0 "[ . 1 . 2]" 1
58 1 57 GLU H 1 59 GLY H 1.800 . 5.000 3.782 3.726 3.835 . 0 0 "[ . 1 . 2]" 1
59 1 58 VAL H 1 60 ILE H 1.800 . 5.000 4.628 4.610 4.682 . 0 0 "[ . 1 . 2]" 1
60 1 50 VAL H 1 53 GLU H 1.800 . 5.000 4.639 4.461 4.872 . 0 0 "[ . 1 . 2]" 1
61 1 51 VAL H 1 54 LEU H 1.800 . 5.000 4.569 4.496 4.669 . 0 0 "[ . 1 . 2]" 1
62 1 53 GLU H 1 56 GLU H 1.800 . 5.000 5.008 4.920 5.055 0.055 12 0 "[ . 1 . 2]" 1
63 1 55 GLN H 1 58 VAL H 1.800 . 5.000 4.759 4.693 4.846 . 0 0 "[ . 1 . 2]" 1
64 1 47 GLU HA 1 48 GLN H 1.800 . 5.000 3.572 3.540 3.603 . 0 0 "[ . 1 . 2]" 1
65 1 48 GLN HA 1 49 ALA H 1.800 . 5.000 3.377 3.317 3.470 . 0 0 "[ . 1 . 2]" 1
66 1 50 VAL HA 1 51 VAL H 1.800 . 5.000 3.548 3.538 3.559 . 0 0 "[ . 1 . 2]" 1
67 1 51 VAL HA 1 52 ARG H 1.800 . 5.000 3.523 3.511 3.545 . 0 0 "[ . 1 . 2]" 1
68 1 52 ARG HA 1 53 GLU H 1.800 . 5.000 3.546 3.507 3.563 . 0 0 "[ . 1 . 2]" 1
69 1 57 GLU HA 1 58 VAL H 1.800 . 5.000 3.205 3.185 3.229 . 0 0 "[ . 1 . 2]" 1
70 1 47 GLU HA 1 49 ALA H 1.800 . 5.000 4.064 3.802 4.435 . 0 0 "[ . 1 . 2]" 1
71 1 48 GLN HA 1 50 VAL H 1.800 . 5.000 4.412 4.271 4.562 . 0 0 "[ . 1 . 2]" 1
72 1 49 ALA HA 1 51 VAL H 1.800 . 5.000 4.926 4.857 4.997 . 0 0 "[ . 1 . 2]" 1
73 1 50 VAL HA 1 52 ARG H 1.800 . 5.000 4.230 3.993 4.478 . 0 0 "[ . 1 . 2]" 1
74 1 51 VAL HA 1 53 GLU H 1.800 . 5.000 4.859 4.564 4.975 . 0 0 "[ . 1 . 2]" 1
75 1 53 GLU HA 1 55 GLN H 1.800 . 5.000 4.143 4.000 4.212 . 0 0 "[ . 1 . 2]" 1
76 1 56 GLU HA 1 58 VAL H 1.800 . 5.000 4.004 3.905 4.101 . 0 0 "[ . 1 . 2]" 1
77 1 47 GLU HA 1 51 VAL H 1.800 . 5.000 4.722 4.421 4.997 . 0 0 "[ . 1 . 2]" 1
78 1 49 ALA HA 1 52 ARG H 1.800 . 5.000 4.120 3.946 4.256 . 0 0 "[ . 1 . 2]" 1
79 1 50 VAL HA 1 53 GLU H 1.800 . 5.000 3.421 3.178 3.614 . 0 0 "[ . 1 . 2]" 1
80 1 52 ARG HA 1 55 GLN H 1.800 . 5.000 3.903 3.740 3.985 . 0 0 "[ . 1 . 2]" 1
81 1 50 VAL HA 1 54 LEU H 1.800 . 5.000 3.714 3.607 3.846 . 0 0 "[ . 1 . 2]" 1
82 1 51 VAL HA 1 55 GLN H 1.800 . 5.000 5.019 4.982 5.037 0.037 5 0 "[ . 1 . 2]" 1
83 1 53 GLU HA 1 57 GLU H 1.800 . 5.000 4.264 3.968 4.515 . 0 0 "[ . 1 . 2]" 1
84 1 48 GLN HA 1 51 VAL HB 1.800 . 3.300 2.225 2.166 2.264 . 0 0 "[ . 1 . 2]" 1
85 1 49 ALA HA 1 52 ARG QB 1.800 . 3.800 3.502 3.191 3.733 . 0 0 "[ . 1 . 2]" 1
86 1 50 VAL HA 1 53 GLU QB 1.800 . 3.800 2.642 2.318 2.917 . 0 0 "[ . 1 . 2]" 1
87 1 51 VAL HA 1 54 LEU QB 1.800 . 3.800 2.530 2.418 2.632 . 0 0 "[ . 1 . 2]" 1
88 1 52 ARG HA 1 55 GLN QB 1.800 . 3.800 3.796 3.613 3.847 0.047 20 0 "[ . 1 . 2]" 1
89 1 53 GLU HA 1 56 GLU HB3 1.800 . 3.300 2.938 2.634 3.174 . 0 0 "[ . 1 . 2]" 1
90 1 53 GLU HA 1 56 GLU HB2 1.800 . 3.300 2.636 2.361 2.973 . 0 0 "[ . 1 . 2]" 1
91 1 54 LEU HA 1 57 GLU QB 1.800 . 3.800 2.779 2.529 3.295 . 0 0 "[ . 1 . 2]" 1
92 1 55 GLN HA 1 58 VAL HB 1.800 . 3.300 3.118 2.965 3.367 0.067 3 0 "[ . 1 . 2]" 1
93 1 122 VAL H 1 123 ILE H 1.800 . 2.800 2.518 2.381 2.583 . 0 0 "[ . 1 . 2]" 1
94 1 123 ILE H 1 124 ALA H 1.800 . 2.800 2.626 2.538 2.711 . 0 0 "[ . 1 . 2]" 1
95 1 124 ALA H 1 125 LYS H 1.800 . 2.800 2.695 2.671 2.719 . 0 0 "[ . 1 . 2]" 1
96 1 125 LYS H 1 126 LEU H 1.800 . 2.800 2.649 2.560 2.762 . 0 0 "[ . 1 . 2]" 1
97 1 126 LEU H 1 127 LYS H 1.800 . 2.800 2.453 2.415 2.520 . 0 0 "[ . 1 . 2]" 1
98 1 127 LYS H 1 128 ARG H 1.800 . 2.800 2.719 2.368 2.802 0.002 10 0 "[ . 1 . 2]" 1
99 1 128 ARG H 1 129 LEU H 1.800 . 3.800 2.549 2.507 2.633 . 0 0 "[ . 1 . 2]" 1
100 1 122 VAL H 1 124 ALA H 1.800 . 5.000 3.781 3.667 4.022 . 0 0 "[ . 1 . 2]" 1
101 1 123 ILE H 1 125 LYS H 1.800 . 5.000 4.187 4.021 4.296 . 0 0 "[ . 1 . 2]" 1
102 1 126 LEU H 1 128 ARG H 1.800 . 5.000 4.287 4.042 4.388 . 0 0 "[ . 1 . 2]" 1
103 1 127 LYS H 1 129 LEU H 1.800 . 5.000 3.780 3.590 3.903 . 0 0 "[ . 1 . 2]" 1
104 1 122 VAL H 1 125 LYS H 1.800 . 5.000 5.067 5.040 5.087 0.087 11 0 "[ . 1 . 2]" 1
105 1 125 LYS H 1 128 ARG H 1.800 . 5.000 4.892 4.573 5.023 0.023 3 0 "[ . 1 . 2]" 1
106 1 126 LEU H 1 129 LEU H 1.800 . 5.000 5.027 4.965 5.047 0.047 18 0 "[ . 1 . 2]" 1
107 1 122 VAL HA 1 123 ILE H 1.800 . 5.000 3.544 3.492 3.560 . 0 0 "[ . 1 . 2]" 1
108 1 123 ILE HA 1 124 ALA H 1.800 . 5.000 3.509 3.490 3.543 . 0 0 "[ . 1 . 2]" 1
109 1 128 ARG HA 1 129 LEU H 1.800 . 5.000 3.333 3.290 3.366 . 0 0 "[ . 1 . 2]" 1
110 1 120 GLU HA 1 122 VAL H 1.800 . 5.000 4.200 3.916 4.427 . 0 0 "[ . 1 . 2]" 1
111 1 122 VAL HA 1 124 ALA H 1.800 . 5.000 4.295 4.226 4.409 . 0 0 "[ . 1 . 2]" 1
112 1 123 ILE HA 1 125 LYS H 1.800 . 5.000 3.808 3.671 3.998 . 0 0 "[ . 1 . 2]" 1
113 1 125 LYS HA 1 127 LYS H 1.800 . 5.000 4.494 4.176 4.932 . 0 0 "[ . 1 . 2]" 1
114 1 127 LYS HA 1 129 LEU H 1.800 . 5.000 3.563 3.460 3.618 . 0 0 "[ . 1 . 2]" 1
115 1 120 GLU HA 1 123 ILE H 1.800 . 5.000 3.349 3.055 3.587 . 0 0 "[ . 1 . 2]" 1
116 1 121 PRO HA 1 124 ALA H 1.800 . 5.000 3.913 3.625 4.105 . 0 0 "[ . 1 . 2]" 1
117 1 122 VAL HA 1 125 LYS H 1.800 . 5.000 3.813 3.624 3.894 . 0 0 "[ . 1 . 2]" 1
118 1 123 ILE HA 1 126 LEU H 1.800 . 5.000 3.195 3.042 3.334 . 0 0 "[ . 1 . 2]" 1
119 1 124 ALA HA 1 127 LYS H 1.800 . 5.000 3.729 3.298 4.129 . 0 0 "[ . 1 . 2]" 1
120 1 126 LEU HA 1 129 LEU H 1.800 . 5.000 3.380 3.290 3.693 . 0 0 "[ . 1 . 2]" 1
121 1 121 PRO HA 1 125 LYS H 1.800 . 5.000 5.035 5.022 5.059 0.059 9 0 "[ . 1 . 2]" 1
122 1 121 PRO HA 1 124 ALA MB 1.800 . 3.800 2.821 2.605 3.031 . 0 0 "[ . 1 . 2]" 1
123 1 122 VAL HA 1 125 LYS QB 1.800 . 3.800 3.463 3.117 3.800 0.000 18 0 "[ . 1 . 2]" 1
124 1 123 ILE HA 1 126 LEU QB 1.800 . 3.800 3.131 2.819 3.720 . 0 0 "[ . 1 . 2]" 1
125 1 124 ALA HA 1 127 LYS QB 1.800 . 3.800 2.495 2.220 2.756 . 0 0 "[ . 1 . 2]" 1
126 1 125 LYS HA 1 128 ARG QB 1.800 . 3.800 3.710 3.160 3.812 0.012 1 0 "[ . 1 . 2]" 1
127 1 2 LYS H 1 2 LYS QG 1.800 . 5.500 3.844 1.955 4.186 . 0 0 "[ . 1 . 2]" 1
128 1 2 LYS HA 1 2 LYS QG 1.800 . 5.500 2.289 2.025 3.330 . 0 0 "[ . 1 . 2]" 1
129 1 1 MET HA 1 2 LYS H 1.800 . 3.300 2.520 2.147 2.940 . 0 0 "[ . 1 . 2]" 1
130 1 3 LYS H 1 3 LYS QG 1.800 . 5.500 2.568 1.988 4.068 . 0 0 "[ . 1 . 2]" 1
131 1 3 LYS HA 1 3 LYS QG 1.800 . 5.500 3.097 2.179 3.407 . 0 0 "[ . 1 . 2]" 1
132 1 3 LYS HA 1 3 LYS QE 1.800 . 5.000 4.539 3.799 5.002 0.002 4 0 "[ . 1 . 2]" 1
133 1 2 LYS HA 1 3 LYS H 1.800 . 3.300 2.182 2.140 2.255 . 0 0 "[ . 1 . 2]" 1
134 1 2 LYS QB 1 3 LYS HA 1.800 . 5.500 4.234 4.026 4.739 . 0 0 "[ . 1 . 2]" 1
135 1 2 LYS QG 1 3 LYS HA 1.800 . 5.500 4.572 3.775 5.495 . 0 0 "[ . 1 . 2]" 1
136 1 4 LEU H 1 4 LEU HG 1.800 . 3.300 2.312 1.996 2.606 . 0 0 "[ . 1 . 2]" 1
137 1 4 LEU H 1 4 LEU QB 1.800 . 5.500 3.119 2.981 3.243 . 0 0 "[ . 1 . 2]" 1
138 1 4 LEU H 1 4 LEU MD2 1.800 . 3.800 3.530 2.732 3.805 0.005 3 0 "[ . 1 . 2]" 1
139 1 3 LYS QG 1 4 LEU H 1.800 . 5.500 4.041 2.543 4.426 . 0 0 "[ . 1 . 2]" 1
140 1 3 LYS HB3 1 4 LEU H 1.800 . 5.000 3.843 2.845 4.267 . 0 0 "[ . 1 . 2]" 1
141 1 3 LYS HB2 1 4 LEU H 1.800 . 5.000 3.364 2.845 4.401 . 0 0 "[ . 1 . 2]" 1
142 1 3 LYS HA 1 4 LEU QD 1.800 . 7.000 4.003 3.388 4.400 . 0 0 "[ . 1 . 2]" 1
143 1 5 GLN H 1 5 GLN HG3 1.800 . 3.300 2.354 2.098 2.598 . 0 0 "[ . 1 . 2]" 1
144 1 5 GLN H 1 5 GLN HG2 1.800 . 3.300 3.336 3.313 3.355 0.055 18 0 "[ . 1 . 2]" 1
145 1 5 GLN HA 1 5 GLN HG3 1.800 . 3.300 3.330 3.291 3.353 0.053 18 0 "[ . 1 . 2]" 1
146 1 5 GLN HA 1 5 GLN HG2 1.800 . 3.300 2.630 2.452 2.893 . 0 0 "[ . 1 . 2]" 1
147 1 4 LEU MD1 1 5 GLN H 1.800 . 3.800 3.747 3.452 3.838 0.038 3 0 "[ . 1 . 2]" 1
148 1 4 LEU QB 1 5 GLN H 1.800 . 3.800 3.091 2.861 3.409 . 0 0 "[ . 1 . 2]" 1
149 1 6 ILE H 1 6 ILE QG 1.800 . 5.500 2.822 2.206 3.514 . 0 0 "[ . 1 . 2]" 1
150 1 6 ILE H 1 6 ILE MG 1.800 . 3.800 3.851 3.489 3.955 0.155 5 0 "[ . 1 . 2]" 1
151 1 6 ILE H 1 6 ILE MD 1.800 . 6.000 2.983 2.270 4.259 . 0 0 "[ . 1 . 2]" 1
152 1 6 ILE HA 1 6 ILE MG 1.800 . 6.000 2.203 1.949 2.483 . 0 0 "[ . 1 . 2]" 1
153 1 6 ILE HA 1 6 ILE MD 1.800 . 6.000 2.919 1.927 3.494 . 0 0 "[ . 1 . 2]" 1
154 1 5 GLN HB2 1 6 ILE H 1.800 . 3.800 3.611 3.445 3.741 . 0 0 "[ . 1 . 2]" 1
155 1 5 GLN HG3 1 6 ILE H 1.800 . 5.000 5.037 4.998 5.068 0.068 4 0 "[ . 1 . 2]" 1
156 1 5 GLN HG2 1 6 ILE H 1.800 . 5.000 4.395 4.227 4.681 . 0 0 "[ . 1 . 2]" 1
157 1 7 ALA H 1 7 ALA MB 1.800 . 3.800 2.417 2.380 2.486 . 0 0 "[ . 1 . 2]" 1
158 1 6 ILE HB 1 7 ALA H 1.800 . 5.000 3.821 3.162 4.278 . 0 0 "[ . 1 . 2]" 1
159 1 6 ILE MD 1 7 ALA H 1.800 . 4.300 2.744 2.058 3.514 . 0 0 "[ . 1 . 2]" 1
160 1 8 VAL H 1 8 VAL MG1 1.800 . 3.800 2.191 1.976 2.515 . 0 0 "[ . 1 . 2]" 1
161 1 8 VAL H 1 8 VAL MG2 1.800 . 6.000 3.092 2.804 3.538 . 0 0 "[ . 1 . 2]" 1
162 1 8 VAL HA 1 8 VAL MG1 1.800 . 6.000 2.859 2.720 3.078 . 0 0 "[ . 1 . 2]" 1
163 1 8 VAL HA 1 8 VAL MG2 1.800 . 6.000 2.990 2.765 3.079 . 0 0 "[ . 1 . 2]" 1
164 1 7 ALA MB 1 8 VAL H 1.800 . 4.300 3.110 2.655 3.218 . 0 0 "[ . 1 . 2]" 1
165 1 7 ALA HA 1 8 VAL MG1 1.800 . 6.000 3.219 3.056 3.303 . 0 0 "[ . 1 . 2]" 1
166 1 7 ALA HA 1 8 VAL MG2 1.800 . 6.000 4.873 4.587 5.295 . 0 0 "[ . 1 . 2]" 1
167 1 8 VAL MG2 1 9 GLY H 1.800 . 3.800 2.284 1.961 2.459 . 0 0 "[ . 1 . 2]" 1
168 1 8 VAL MG1 1 9 GLY H 1.800 . 6.000 4.083 4.029 4.157 . 0 0 "[ . 1 . 2]" 1
169 1 8 VAL HB 1 9 GLY H 1.800 . 3.300 2.911 2.686 3.334 0.034 6 0 "[ . 1 . 2]" 1
170 1 8 VAL MG2 1 9 GLY HA3 1.800 . 3.800 3.844 3.760 3.898 0.098 7 0 "[ . 1 . 2]" 1
171 1 10 ILE H 1 10 ILE HB 1.800 . 3.300 3.102 2.428 3.361 0.061 16 0 "[ . 1 . 2]" 1
172 1 10 ILE H 1 10 ILE QG 1.800 . 5.500 2.168 1.776 4.010 0.024 2 0 "[ . 1 . 2]" 1
173 1 10 ILE H 1 10 ILE MG 1.800 . 3.800 3.326 1.927 3.748 . 0 0 "[ . 1 . 2]" 1
174 1 10 ILE H 1 10 ILE MD 1.800 . 6.000 3.382 1.952 4.321 . 0 0 "[ . 1 . 2]" 1
175 1 11 ILE H 1 11 ILE HB 1.800 . 3.300 2.878 2.261 3.466 0.166 18 0 "[ . 1 . 2]" 1
176 1 11 ILE H 1 11 ILE MG 1.800 . 3.800 3.552 2.551 3.750 . 0 0 "[ . 1 . 2]" 1
177 1 11 ILE H 1 11 ILE MD 1.800 . 6.000 3.698 3.459 4.432 . 0 0 "[ . 1 . 2]" 1
178 1 10 ILE MD 1 11 ILE H 1.800 . 6.000 5.239 3.821 5.567 . 0 0 "[ . 1 . 2]" 1
179 1 11 ILE HA 1 11 ILE MG 1.800 . 6.000 2.278 2.130 3.178 . 0 0 "[ . 1 . 2]" 1
180 1 11 ILE HA 1 11 ILE MD 1.800 . 5.300 3.789 3.695 4.134 . 0 0 "[ . 1 . 2]" 1
181 1 12 ARG H 1 12 ARG HG3 1.800 . 3.800 3.832 3.731 3.856 0.056 16 0 "[ . 1 . 2]" 1
182 1 12 ARG H 1 12 ARG HG2 1.800 . 3.800 3.794 3.588 3.876 0.076 19 0 "[ . 1 . 2]" 1
183 1 12 ARG H 1 12 ARG QD 1.800 . 5.500 4.751 4.622 4.920 . 0 0 "[ . 1 . 2]" 1
184 1 12 ARG HA 1 12 ARG QG 1.800 . 5.500 2.033 1.989 2.113 . 0 0 "[ . 1 . 2]" 1
185 1 11 ILE MD 1 12 ARG H 1.800 . 5.000 5.034 4.440 5.138 0.138 20 0 "[ . 1 . 2]" 1
186 1 12 ARG HA 1 18 ILE MG 1.800 . 4.300 3.899 3.572 4.344 0.044 8 0 "[ . 1 . 2]" 1
187 1 13 ASN HA 1 13 ASN HB3 1.800 . 2.800 2.749 2.316 2.986 0.186 4 0 "[ . 1 . 2]" 1
188 1 13 ASN HA 1 13 ASN HB2 1.800 . 2.800 2.550 2.375 2.677 . 0 0 "[ . 1 . 2]" 1
189 1 12 ARG QB 1 13 ASN H 1.800 . 5.500 3.290 2.879 3.503 . 0 0 "[ . 1 . 2]" 1
190 1 14 GLU H 1 14 GLU QG 1.800 . 5.500 3.969 3.909 4.040 . 0 0 "[ . 1 . 2]" 1
191 1 14 GLU HA 1 14 GLU QG 1.800 . 3.300 2.624 2.422 3.141 . 0 0 "[ . 1 . 2]" 1
192 1 13 ASN HA 1 14 GLU H 1.800 . 3.300 2.592 2.471 2.645 . 0 0 "[ . 1 . 2]" 1
193 1 13 ASN HB3 1 14 GLU H 1.800 . 3.300 2.938 2.367 3.348 0.048 18 0 "[ . 1 . 2]" 1
194 1 13 ASN HB2 1 14 GLU H 1.800 . 3.300 2.904 1.797 3.507 0.207 5 0 "[ . 1 . 2]" 1
195 1 13 ASN H 1 14 GLU H 1.800 . 5.000 4.428 4.397 4.502 . 0 0 "[ . 1 . 2]" 1
196 1 15 ASN H 1 15 ASN HB3 1.800 . 2.800 2.755 2.568 2.819 0.019 10 0 "[ . 1 . 2]" 1
197 1 15 ASN H 1 15 ASN HB2 1.800 . 3.300 3.105 2.774 3.256 . 0 0 "[ . 1 . 2]" 1
198 1 15 ASN HA 1 15 ASN HB2 1.800 . 2.800 2.482 2.419 2.556 . 0 0 "[ . 1 . 2]" 1
199 1 14 GLU HA 1 15 ASN H 1.800 . 3.300 3.320 3.230 3.440 0.140 20 0 "[ . 1 . 2]" 1
200 1 14 GLU HB3 1 15 ASN H 1.800 . 5.000 3.499 2.939 3.740 . 0 0 "[ . 1 . 2]" 1
201 1 14 GLU HB2 1 15 ASN H 1.800 . 5.000 4.412 4.103 4.502 . 0 0 "[ . 1 . 2]" 1
202 1 14 GLU H 1 15 ASN H 1.800 . 2.800 2.708 2.585 2.821 0.021 10 0 "[ . 1 . 2]" 1
203 1 13 ASN HB3 1 15 ASN H 1.800 . 5.500 3.050 2.205 4.453 . 0 0 "[ . 1 . 2]" 1
204 1 13 ASN HB2 1 15 ASN H 1.800 . 5.500 3.626 2.764 4.211 . 0 0 "[ . 1 . 2]" 1
205 1 16 ASN HA 1 16 ASN HB3 1.800 . 2.800 2.491 2.229 2.842 0.042 16 0 "[ . 1 . 2]" 1
206 1 16 ASN HA 1 16 ASN HB2 1.800 . 2.800 2.509 2.387 2.841 0.041 16 0 "[ . 1 . 2]" 1
207 1 15 ASN HA 1 16 ASN H 1.800 . 5.000 2.876 2.641 3.540 . 0 0 "[ . 1 . 2]" 1
208 1 15 ASN HB3 1 16 ASN H 1.800 . 5.000 3.815 1.907 4.352 . 0 0 "[ . 1 . 2]" 1
209 1 15 ASN HB2 1 16 ASN H 1.800 . 5.000 4.397 3.468 4.650 . 0 0 "[ . 1 . 2]" 1
210 1 15 ASN H 1 16 ASN H 1.800 . 2.800 2.823 2.812 2.855 0.055 20 0 "[ . 1 . 2]" 1
211 1 14 GLU QB 1 16 ASN H 1.800 . 5.500 5.335 4.705 5.538 0.038 14 0 "[ . 1 . 2]" 1
212 1 17 GLU H 1 17 GLU QG 1.800 . 3.800 2.366 1.905 3.335 . 0 0 "[ . 1 . 2]" 1
213 1 17 GLU HA 1 17 GLU QG 1.800 . 5.500 2.901 2.252 3.342 . 0 0 "[ . 1 . 2]" 1
214 1 16 ASN H 1 17 GLU H 1.800 . 5.000 2.624 1.803 2.854 . 0 0 "[ . 1 . 2]" 1
215 1 16 ASN HA 1 17 GLU H 1.800 . 3.300 2.992 2.929 3.127 . 0 0 "[ . 1 . 2]" 1
216 1 16 ASN HB3 1 17 GLU H 1.800 . 5.000 4.506 4.024 4.674 . 0 0 "[ . 1 . 2]" 1
217 1 16 ASN HB2 1 17 GLU H 1.800 . 5.000 4.413 4.113 4.519 . 0 0 "[ . 1 . 2]" 1
218 1 16 ASN H 1 17 GLU QG 1.800 . 5.500 3.965 2.469 5.192 . 0 0 "[ . 1 . 2]" 1
219 1 15 ASN H 1 17 GLU QB 1.800 . 5.500 4.357 3.676 5.303 . 0 0 "[ . 1 . 2]" 1
220 1 15 ASN H 1 17 GLU QG 1.800 . 5.500 3.459 2.406 5.161 . 0 0 "[ . 1 . 2]" 1
221 1 15 ASN HB3 1 17 GLU H 1.800 . 5.500 3.507 3.198 3.740 . 0 0 "[ . 1 . 2]" 1
222 1 15 ASN HB2 1 17 GLU H 1.800 . 5.500 4.859 4.612 5.001 . 0 0 "[ . 1 . 2]" 1
223 1 18 ILE H 1 18 ILE HB 1.800 . 3.300 2.558 2.331 2.736 . 0 0 "[ . 1 . 2]" 1
224 1 18 ILE H 1 18 ILE QG 1.800 . 5.500 3.568 3.024 4.060 . 0 0 "[ . 1 . 2]" 1
225 1 18 ILE H 1 18 ILE MG 1.800 . 6.000 3.481 2.827 3.877 . 0 0 "[ . 1 . 2]" 1
226 1 18 ILE H 1 18 ILE MD 1.800 . 4.300 3.632 2.269 4.317 0.017 20 0 "[ . 1 . 2]" 1
227 1 18 ILE HA 1 18 ILE QG 1.800 . 3.800 2.176 1.932 2.487 . 0 0 "[ . 1 . 2]" 1
228 1 18 ILE HA 1 18 ILE MG 1.800 . 3.800 2.694 2.413 3.094 . 0 0 "[ . 1 . 2]" 1
229 1 18 ILE HA 1 18 ILE MD 1.800 . 6.000 3.516 2.554 3.792 . 0 0 "[ . 1 . 2]" 1
230 1 17 GLU QB 1 18 ILE H 1.800 . 5.500 2.625 2.463 2.922 . 0 0 "[ . 1 . 2]" 1
231 1 17 GLU QG 1 18 ILE H 1.800 . 5.500 3.977 3.617 4.234 . 0 0 "[ . 1 . 2]" 1
232 1 19 PHE H 1 19 PHE QD 1.800 . 5.400 3.530 2.902 4.171 . 0 0 "[ . 1 . 2]" 1
233 1 19 PHE H 1 19 PHE QE 1.800 . 7.100 5.662 5.134 6.144 . 0 0 "[ . 1 . 2]" 1
234 1 18 ILE HB 1 19 PHE HA 1.800 . 5.000 4.832 4.710 4.942 . 0 0 "[ . 1 . 2]" 1
235 1 18 ILE MD 1 19 PHE HA 1.800 . 4.300 3.726 3.415 3.999 . 0 0 "[ . 1 . 2]" 1
236 1 20 ILE H 1 20 ILE HB 1.800 . 3.300 3.320 3.024 3.461 0.161 3 0 "[ . 1 . 2]" 1
237 1 20 ILE H 1 20 ILE MD 1.800 . 4.300 3.116 1.959 3.757 . 0 0 "[ . 1 . 2]" 1
238 1 20 ILE HA 1 20 ILE MG 1.800 . 3.800 2.029 1.935 2.141 . 0 0 "[ . 1 . 2]" 1
239 1 20 ILE HA 1 20 ILE MD 1.800 . 6.000 3.780 2.599 4.153 . 0 0 "[ . 1 . 2]" 1
240 1 19 PHE QB 1 20 ILE H 1.800 . 5.500 3.749 3.493 3.984 . 0 0 "[ . 1 . 2]" 1
241 1 21 THR H 1 21 THR MG 1.800 . 4.300 2.159 1.896 2.975 . 0 0 "[ . 1 . 2]" 1
242 1 21 THR HA 1 21 THR HB 1.800 . 2.800 2.406 2.330 2.687 . 0 0 "[ . 1 . 2]" 1
243 1 21 THR HA 1 21 THR MG 1.800 . 4.300 2.589 2.047 3.221 . 0 0 "[ . 1 . 2]" 1
244 1 20 ILE HB 1 21 THR H 1.800 . 5.000 3.398 2.656 3.793 . 0 0 "[ . 1 . 2]" 1
245 1 20 ILE MG 1 21 THR H 1.800 . 6.000 2.932 2.291 3.505 . 0 0 "[ . 1 . 2]" 1
246 1 21 THR HB 1 22 ARG H 1.800 . 5.000 3.711 3.371 4.287 . 0 0 "[ . 1 . 2]" 1
247 1 21 THR MG 1 22 ARG H 1.800 . 6.000 4.225 3.694 4.361 . 0 0 "[ . 1 . 2]" 1
248 1 23 ARG H 1 23 ARG QG 1.800 . 5.500 2.877 2.151 4.348 . 0 0 "[ . 1 . 2]" 1
249 1 23 ARG HA 1 23 ARG QG 1.800 . 5.500 2.429 2.101 2.826 . 0 0 "[ . 1 . 2]" 1
250 1 24 ALA H 1 24 ALA MB 1.800 . 3.800 2.860 2.715 2.973 . 0 0 "[ . 1 . 2]" 1
251 1 23 ARG H 1 24 ALA H 1.800 . 5.000 3.198 2.637 3.674 . 0 0 "[ . 1 . 2]" 1
252 1 23 ARG HA 1 24 ALA H 1.800 . 3.300 2.800 2.517 3.393 0.093 18 0 "[ . 1 . 2]" 1
253 1 23 ARG QB 1 24 ALA H 1.800 . 5.500 3.752 3.092 4.014 . 0 0 "[ . 1 . 2]" 1
254 1 23 ARG QG 1 24 ALA H 1.800 . 5.500 4.544 4.030 4.878 . 0 0 "[ . 1 . 2]" 1
255 1 22 ARG H 1 24 ALA HA 1.800 . 5.000 4.984 4.506 5.096 0.096 4 0 "[ . 1 . 2]" 1
256 1 23 ARG QB 1 24 ALA MB 1.800 . 6.500 3.997 3.750 4.261 . 0 0 "[ . 1 . 2]" 1
257 1 25 ALA H 1 25 ALA MB 1.800 . 3.800 2.602 2.105 2.932 . 0 0 "[ . 1 . 2]" 1
258 1 24 ALA HA 1 25 ALA H 1.800 . 5.000 3.106 2.660 3.553 . 0 0 "[ . 1 . 2]" 1
259 1 24 ALA MB 1 25 ALA H 1.800 . 6.000 2.506 1.922 3.617 . 0 0 "[ . 1 . 2]" 1
260 1 26 ASP HA 1 26 ASP HB3 1.800 . 2.800 2.397 2.280 2.454 . 0 0 "[ . 1 . 2]" 1
261 1 26 ASP HA 1 26 ASP HB2 1.800 . 2.800 2.520 2.455 2.685 . 0 0 "[ . 1 . 2]" 1
262 1 25 ALA HA 1 26 ASP H 1.800 . 5.000 3.089 2.275 3.564 . 0 0 "[ . 1 . 2]" 1
263 1 25 ALA MB 1 26 ASP H 1.800 . 4.300 3.164 2.001 3.715 . 0 0 "[ . 1 . 2]" 1
264 1 25 ALA H 1 26 ASP H 1.800 . 3.300 2.667 1.921 3.218 . 0 0 "[ . 1 . 2]" 1
265 1 25 ALA MB 1 26 ASP QB 1.800 . 6.500 4.051 3.524 4.894 . 0 0 "[ . 1 . 2]" 1
266 1 25 ALA MB 1 26 ASP HA 1.800 . 6.000 4.243 3.732 4.584 . 0 0 "[ . 1 . 2]" 1
267 1 27 ALA H 1 27 ALA MB 1.800 . 6.000 2.677 2.159 2.912 . 0 0 "[ . 1 . 2]" 1
268 1 30 ALA H 1 30 ALA MB 1.800 . 6.000 2.148 2.092 2.247 . 0 0 "[ . 1 . 2]" 1
269 1 29 MET HA 1 30 ALA H 1.800 . 3.300 2.462 2.183 2.787 . 0 0 "[ . 1 . 2]" 1
270 1 29 MET HA 1 30 ALA MB 1.800 . 6.000 4.236 4.000 4.505 . 0 0 "[ . 1 . 2]" 1
271 1 29 MET QB 1 30 ALA MB 1.800 . 6.500 4.919 4.804 5.105 . 0 0 "[ . 1 . 2]" 1
272 1 31 ASN H 1 31 ASN HB3 1.800 . 3.300 3.280 2.660 3.348 0.048 20 0 "[ . 1 . 2]" 1
273 1 31 ASN H 1 31 ASN HB2 1.800 . 3.300 2.183 2.130 2.600 . 0 0 "[ . 1 . 2]" 1
274 1 30 ALA HA 1 31 ASN H 1.800 . 5.000 3.363 3.354 3.403 . 0 0 "[ . 1 . 2]" 1
275 1 30 ALA MB 1 31 ASN H 1.800 . 6.000 3.193 3.130 3.217 . 0 0 "[ . 1 . 2]" 1
276 1 30 ALA MB 1 31 ASN HB3 1.800 . 6.000 5.514 5.094 5.584 . 0 0 "[ . 1 . 2]" 1
277 1 30 ALA MB 1 31 ASN HB2 1.800 . 6.000 4.404 4.145 4.496 . 0 0 "[ . 1 . 2]" 1
278 1 32 LYS H 1 32 LYS QG 1.800 . 5.500 3.697 2.618 3.986 . 0 0 "[ . 1 . 2]" 1
279 1 33 LEU H 1 33 LEU HB3 1.800 . 2.800 2.822 2.610 2.871 0.071 2 0 "[ . 1 . 2]" 1
280 1 33 LEU H 1 33 LEU HB2 1.800 . 2.800 2.200 2.149 2.379 . 0 0 "[ . 1 . 2]" 1
281 1 33 LEU H 1 33 LEU HG 1.800 . 5.000 4.215 4.138 4.483 . 0 0 "[ . 1 . 2]" 1
282 1 33 LEU H 1 33 LEU MD1 1.800 . 4.300 4.241 4.146 4.305 0.005 18 0 "[ . 1 . 2]" 1
283 1 33 LEU H 1 33 LEU MD2 1.800 . 4.300 4.137 4.039 4.246 . 0 0 "[ . 1 . 2]" 1
284 1 33 LEU HA 1 33 LEU HG 1.800 . 3.300 2.787 2.460 3.338 0.038 12 0 "[ . 1 . 2]" 1
285 1 33 LEU HA 1 33 LEU MD1 1.800 . 6.000 3.831 3.747 3.863 . 0 0 "[ . 1 . 2]" 1
286 1 33 LEU HA 1 33 LEU MD2 1.800 . 6.000 2.205 1.882 2.933 . 0 0 "[ . 1 . 2]" 1
287 1 32 LYS HA 1 33 LEU H 1.800 . 2.800 2.920 2.916 2.927 0.127 12 0 "[ . 1 . 2]" 1
288 1 32 LYS QB 1 33 LEU H 1.800 . 5.500 3.744 3.725 4.000 . 0 0 "[ . 1 . 2]" 1
289 1 34 GLU H 1 34 GLU QG 1.800 . 6.000 3.892 3.043 4.386 . 0 0 "[ . 1 . 2]" 1
290 1 33 LEU HA 1 34 GLU H 1.800 . 5.000 2.206 2.160 2.295 . 0 0 "[ . 1 . 2]" 1
291 1 33 LEU HB3 1 34 GLU H 1.800 . 5.000 4.248 4.025 4.442 . 0 0 "[ . 1 . 2]" 1
292 1 33 LEU HB2 1 34 GLU H 1.800 . 5.000 4.543 4.406 4.652 . 0 0 "[ . 1 . 2]" 1
293 1 33 LEU HG 1 34 GLU H 1.800 . 5.000 4.354 3.471 5.003 0.003 12 0 "[ . 1 . 2]" 1
294 1 33 LEU MD1 1 34 GLU H 1.800 . 6.000 4.805 4.436 5.180 . 0 0 "[ . 1 . 2]" 1
295 1 33 LEU MD2 1 34 GLU H 1.800 . 6.000 2.413 1.917 3.041 . 0 0 "[ . 1 . 2]" 1
296 1 34 GLU HA 1 35 PHE H 1.800 . 3.300 2.625 2.475 2.738 . 0 0 "[ . 1 . 2]" 1
297 1 34 GLU HB3 1 35 PHE H 1.800 . 5.000 2.352 1.931 2.998 . 0 0 "[ . 1 . 2]" 1
298 1 34 GLU HB2 1 35 PHE H 1.800 . 5.000 3.611 3.255 3.833 . 0 0 "[ . 1 . 2]" 1
299 1 36 PRO HA 1 36 PRO QD 1.800 . 6.000 3.278 3.089 3.498 . 0 0 "[ . 1 . 2]" 1
300 1 36 PRO HA 1 37 GLY H 1.800 . 5.000 2.422 2.353 2.463 . 0 0 "[ . 1 . 2]" 1
301 1 37 GLY HA3 1 38 GLY H 1.800 . 3.300 3.444 3.240 3.490 0.190 5 0 "[ . 1 . 2]" 1
302 1 37 GLY HA2 1 38 GLY H 1.800 . 3.300 2.633 2.497 3.337 0.037 16 0 "[ . 1 . 2]" 1
303 1 38 GLY H 1 40 ILE MG 1.800 . 4.300 4.021 3.549 4.392 0.092 12 0 "[ . 1 . 2]" 1
304 1 39 LYS H 1 39 LYS QG 1.800 . 5.500 4.288 4.252 4.324 . 0 0 "[ . 1 . 2]" 1
305 1 38 GLY HA3 1 39 LYS H 1.800 . 5.000 3.151 2.681 3.353 . 0 0 "[ . 1 . 2]" 1
306 1 38 GLY HA2 1 39 LYS H 1.800 . 5.000 2.205 2.153 2.471 . 0 0 "[ . 1 . 2]" 1
307 1 40 ILE H 1 40 ILE QG 1.800 . 5.500 3.038 2.643 3.914 . 0 0 "[ . 1 . 2]" 1
308 1 40 ILE H 1 40 ILE MG 1.800 . 4.300 1.976 1.898 2.031 . 0 0 "[ . 1 . 2]" 1
309 1 40 ILE H 1 40 ILE MD 1.800 . 6.000 4.276 4.141 4.460 . 0 0 "[ . 1 . 2]" 1
310 1 40 ILE HA 1 40 ILE QG 1.800 . 3.800 3.149 2.673 3.309 . 0 0 "[ . 1 . 2]" 1
311 1 40 ILE HA 1 40 ILE MG 1.800 . 3.800 2.595 2.370 3.117 . 0 0 "[ . 1 . 2]" 1
312 1 40 ILE HA 1 40 ILE MD 1.800 . 6.000 3.922 3.689 4.029 . 0 0 "[ . 1 . 2]" 1
313 1 40 ILE HB 1 40 ILE MD 1.800 . 4.300 2.165 2.084 2.286 . 0 0 "[ . 1 . 2]" 1
314 1 39 LYS HA 1 40 ILE H 1.800 . 3.300 3.244 3.171 3.337 0.037 6 0 "[ . 1 . 2]" 1
315 1 39 LYS QB 1 40 ILE H 1.800 . 3.800 3.496 3.257 3.636 . 0 0 "[ . 1 . 2]" 1
316 1 39 LYS HG3 1 40 ILE H 1.800 . 5.000 4.635 4.594 4.695 . 0 0 "[ . 1 . 2]" 1
317 1 39 LYS HG2 1 40 ILE H 1.800 . 5.000 4.998 4.616 5.059 0.059 5 0 "[ . 1 . 2]" 1
318 1 39 LYS HG3 1 40 ILE HA 1.800 . 5.000 5.004 4.930 5.040 0.040 3 0 "[ . 1 . 2]" 1
319 1 39 LYS HG2 1 40 ILE HA 1.800 . 5.000 4.911 4.568 5.022 0.022 14 0 "[ . 1 . 2]" 1
320 1 41 GLU H 1 41 GLU HB3 1.800 . 3.800 2.769 2.671 2.905 . 0 0 "[ . 1 . 2]" 1
321 1 41 GLU H 1 41 GLU HB2 1.800 . 3.800 3.585 3.551 3.800 . 6 0 "[ . 1 . 2]" 1
322 1 41 GLU H 1 41 GLU HG3 1.800 . 5.000 2.058 1.920 2.575 . 0 0 "[ . 1 . 2]" 1
323 1 41 GLU H 1 41 GLU HG2 1.800 . 5.000 2.717 2.613 3.156 . 0 0 "[ . 1 . 2]" 1
324 1 41 GLU HA 1 41 GLU HG3 1.800 . 3.800 3.534 3.521 3.540 . 0 0 "[ . 1 . 2]" 1
325 1 40 ILE HA 1 41 GLU H 1.800 . 3.300 3.424 3.392 3.487 0.187 15 0 "[ . 1 . 2]" 1
326 1 40 ILE QG 1 41 GLU H 1.800 . 5.500 2.241 2.036 2.674 . 0 0 "[ . 1 . 2]" 1
327 1 40 ILE MD 1 41 GLU H 1.800 . 6.000 3.893 3.653 4.127 . 0 0 "[ . 1 . 2]" 1
328 1 40 ILE QG 1 41 GLU HB3 1.800 . 5.000 3.798 3.599 4.217 . 0 0 "[ . 1 . 2]" 1
329 1 40 ILE QG 1 41 GLU HB2 1.800 . 5.000 4.781 4.683 5.004 0.004 14 0 "[ . 1 . 2]" 1
330 1 39 LYS H 1 41 GLU HG3 1.800 . 3.800 3.871 3.840 3.887 0.087 3 0 "[ . 1 . 2]" 1
331 1 39 LYS H 1 41 GLU HG2 1.800 . 3.800 3.816 3.803 3.846 0.046 16 0 "[ . 1 . 2]" 1
332 1 42 MET H 1 42 MET QG 1.800 . 3.800 2.723 2.190 3.800 0.000 6 0 "[ . 1 . 2]" 1
333 1 42 MET HA 1 42 MET QG 1.800 . 3.800 2.449 2.060 2.796 . 0 0 "[ . 1 . 2]" 1
334 1 41 GLU HB3 1 42 MET H 1.800 . 5.000 3.605 3.533 3.753 . 0 0 "[ . 1 . 2]" 1
335 1 41 GLU HB2 1 42 MET H 1.800 . 5.000 2.567 2.345 3.008 . 0 0 "[ . 1 . 2]" 1
336 1 41 GLU HG3 1 42 MET H 1.800 . 3.300 2.028 1.877 2.210 . 0 0 "[ . 1 . 2]" 1
337 1 41 GLU HG2 1 42 MET H 1.800 . 3.300 3.393 3.367 3.436 0.136 6 0 "[ . 1 . 2]" 1
338 1 42 MET HA 1 43 GLY H 1.800 . 5.000 3.505 3.109 3.545 . 0 0 "[ . 1 . 2]" 1
339 1 42 MET QB 1 43 GLY H 1.800 . 5.500 1.901 1.847 1.925 . 0 0 "[ . 1 . 2]" 1
340 1 42 MET QG 1 43 GLY H 1.800 . 3.800 3.731 2.135 3.834 0.034 2 0 "[ . 1 . 2]" 1
341 1 44 GLU H 1 44 GLU QG 1.800 . 3.800 3.724 3.429 3.808 0.008 13 0 "[ . 1 . 2]" 1
342 1 43 GLY H 1 44 GLU H 1.800 . 2.800 1.914 1.797 2.211 0.003 15 0 "[ . 1 . 2]" 1
343 1 43 GLY HA3 1 44 GLU H 1.800 . 3.300 3.447 3.371 3.471 0.171 10 0 "[ . 1 . 2]" 1
344 1 43 GLY HA2 1 44 GLU H 1.800 . 3.300 2.967 2.865 3.171 . 0 0 "[ . 1 . 2]" 1
345 1 42 MET QB 1 44 GLU H 1.800 . 5.500 3.258 2.412 3.449 . 0 0 "[ . 1 . 2]" 1
346 1 40 ILE MD 1 44 GLU H 1.800 . 6.000 5.478 5.140 6.042 0.042 6 0 "[ . 1 . 2]" 1
347 1 40 ILE QG 1 44 GLU H 1.800 . 5.500 5.416 4.820 5.614 0.114 3 0 "[ . 1 . 2]" 1
348 1 45 THR H 1 45 THR MG 1.800 . 3.800 3.670 3.612 3.718 . 0 0 "[ . 1 . 2]" 1
349 1 45 THR HA 1 45 THR MG 1.800 . 4.300 2.029 1.987 2.052 . 0 0 "[ . 1 . 2]" 1
350 1 44 GLU H 1 45 THR H 1.800 . 5.000 4.456 4.373 4.490 . 0 0 "[ . 1 . 2]" 1
351 1 44 GLU HA 1 45 THR H 1.800 . 5.000 2.701 2.597 2.899 . 0 0 "[ . 1 . 2]" 1
352 1 44 GLU QB 1 45 THR H 1.800 . 3.300 1.956 1.895 2.040 . 0 0 "[ . 1 . 2]" 1
353 1 44 GLU QG 1 45 THR H 1.800 . 3.300 2.977 2.390 3.301 0.001 2 0 "[ . 1 . 2]" 1
354 1 46 PRO HA 1 46 PRO HD3 1.800 . 5.000 3.160 3.141 3.241 . 0 0 "[ . 1 . 2]" 1
355 1 46 PRO HA 1 46 PRO HD2 1.800 . 5.000 3.998 3.990 4.026 . 0 0 "[ . 1 . 2]" 1
356 1 45 THR MG 1 46 PRO HB3 1.800 . 5.000 5.045 5.035 5.062 0.062 18 0 "[ . 1 . 2]" 1
357 1 45 THR MG 1 46 PRO HB2 1.800 . 5.000 4.808 4.733 5.005 0.005 18 0 "[ . 1 . 2]" 1
358 1 45 THR MG 1 46 PRO QG 1.800 . 5.500 2.876 2.827 3.031 . 0 0 "[ . 1 . 2]" 1
359 1 45 THR HA 1 46 PRO HA 1.800 . 5.000 4.402 4.398 4.406 . 0 0 "[ . 1 . 2]" 1
360 1 46 PRO HA 1 47 GLU H 1.800 . 5.000 3.500 3.494 3.505 . 0 0 "[ . 1 . 2]" 1
361 1 46 PRO HB3 1 47 GLU H 1.800 . 5.000 4.278 4.261 4.285 . 0 0 "[ . 1 . 2]" 1
362 1 46 PRO HB2 1 47 GLU H 1.800 . 5.000 3.272 3.225 3.341 . 0 0 "[ . 1 . 2]" 1
363 1 46 PRO HG3 1 47 GLU H 1.800 . 5.000 4.402 4.312 4.426 . 0 0 "[ . 1 . 2]" 1
364 1 46 PRO HG2 1 47 GLU H 1.800 . 5.000 2.985 2.854 3.021 . 0 0 "[ . 1 . 2]" 1
365 1 48 GLN H 1 48 GLN QG 1.800 . 3.300 2.603 1.972 3.235 . 0 0 "[ . 1 . 2]" 1
366 1 48 GLN HA 1 48 GLN QG 1.800 . 5.500 2.639 2.213 3.339 . 0 0 "[ . 1 . 2]" 1
367 1 47 GLU QB 1 48 GLN H 1.800 . 5.500 2.580 2.179 2.762 . 0 0 "[ . 1 . 2]" 1
368 1 48 GLN HA 1 51 VAL MG2 1.800 . 5.500 2.883 2.676 3.049 . 0 0 "[ . 1 . 2]" 1
369 1 49 ALA H 1 49 ALA MB 1.800 . 3.800 2.207 2.051 2.242 . 0 0 "[ . 1 . 2]" 1
370 1 48 GLN QB 1 49 ALA H 1.800 . 5.500 3.308 2.908 3.847 . 0 0 "[ . 1 . 2]" 1
371 1 48 GLN QG 1 49 ALA H 1.800 . 5.500 4.120 2.574 4.596 . 0 0 "[ . 1 . 2]" 1
372 1 47 GLU HB3 1 49 ALA H 1.800 . 5.000 4.906 4.437 5.008 0.008 5 0 "[ . 1 . 2]" 1
373 1 47 GLU HB2 1 49 ALA H 1.800 . 5.000 4.866 4.572 5.005 0.005 17 0 "[ . 1 . 2]" 1
374 1 46 PRO HA 1 49 ALA MB 1.800 . 6.000 3.079 2.837 3.257 . 0 0 "[ . 1 . 2]" 1
375 1 48 GLN QB 1 49 ALA MB 1.800 . 6.000 4.417 4.115 4.941 . 0 0 "[ . 1 . 2]" 1
376 1 48 GLN QG 1 49 ALA MB 1.800 . 6.000 5.213 3.446 5.746 . 0 0 "[ . 1 . 2]" 1
377 1 50 VAL H 1 50 VAL MG1 1.800 . 6.000 1.999 1.813 2.184 . 0 0 "[ . 1 . 2]" 1
378 1 50 VAL H 1 50 VAL MG2 1.800 . 3.800 2.895 2.286 3.720 . 0 0 "[ . 1 . 2]" 1
379 1 50 VAL HA 1 50 VAL MG1 1.800 . 3.800 2.744 2.467 3.172 . 0 0 "[ . 1 . 2]" 1
380 1 50 VAL HA 1 50 VAL MG2 1.800 . 6.000 2.990 2.511 3.189 . 0 0 "[ . 1 . 2]" 1
381 1 49 ALA HA 1 50 VAL H 1.800 . 5.000 3.564 3.547 3.581 . 0 0 "[ . 1 . 2]" 1
382 1 49 ALA MB 1 50 VAL H 1.800 . 4.300 2.313 2.238 2.470 . 0 0 "[ . 1 . 2]" 1
383 1 49 ALA MB 1 50 VAL MG1 1.800 . 5.300 2.741 2.514 3.298 . 0 0 "[ . 1 . 2]" 1
384 1 49 ALA MB 1 50 VAL MG2 1.800 . 5.300 4.405 3.932 4.878 . 0 0 "[ . 1 . 2]" 1
385 1 51 VAL H 1 51 VAL HB 1.800 . 3.300 2.649 2.612 2.676 . 0 0 "[ . 1 . 2]" 1
386 1 51 VAL H 1 51 VAL MG1 1.800 . 7.000 3.764 3.754 3.774 . 0 0 "[ . 1 . 2]" 1
387 1 51 VAL H 1 51 VAL MG2 1.800 . 7.000 1.927 1.900 1.991 . 0 0 "[ . 1 . 2]" 1
388 1 51 VAL HA 1 51 VAL MG1 1.800 . 5.300 2.270 2.232 2.357 . 0 0 "[ . 1 . 2]" 1
389 1 51 VAL HA 1 51 VAL MG2 1.800 . 5.300 2.465 2.437 2.476 . 0 0 "[ . 1 . 2]" 1
390 1 50 VAL MG1 1 51 VAL H 1.800 . 6.000 3.030 1.880 3.638 . 0 0 "[ . 1 . 2]" 1
391 1 50 VAL MG2 1 51 VAL H 1.800 . 4.300 2.184 1.841 3.063 . 0 0 "[ . 1 . 2]" 1
392 1 48 GLN HA 1 51 VAL HA 1.800 . 5.000 5.024 5.002 5.048 0.048 14 0 "[ . 1 . 2]" 1
393 1 48 GLN H 1 51 VAL MG1 1.800 . 6.000 5.968 5.828 6.021 0.021 8 0 "[ . 1 . 2]" 1
394 1 48 GLN QB 1 51 VAL MG1 1.800 . 6.500 4.738 4.291 5.042 . 0 0 "[ . 1 . 2]" 1
395 1 48 GLN QG 1 51 VAL MG1 1.800 . 6.500 4.670 3.691 5.954 . 0 0 "[ . 1 . 2]" 1
396 1 50 VAL H 1 51 VAL MG1 1.800 . 6.000 5.764 5.742 5.803 . 0 0 "[ . 1 . 2]" 1
397 1 50 VAL MG2 1 51 VAL MG1 1.800 . 7.000 4.142 3.949 4.592 . 0 0 "[ . 1 . 2]" 1
398 1 52 ARG H 1 52 ARG QB 1.800 . 3.800 2.278 2.152 2.384 . 0 0 "[ . 1 . 2]" 1
399 1 52 ARG H 1 52 ARG QG 1.800 . 5.500 3.705 2.586 4.082 . 0 0 "[ . 1 . 2]" 1
400 1 52 ARG HA 1 52 ARG QG 1.800 . 3.800 2.365 2.141 2.805 . 0 0 "[ . 1 . 2]" 1
401 1 51 VAL HB 1 52 ARG H 1.800 . 3.300 2.681 2.553 2.766 . 0 0 "[ . 1 . 2]" 1
402 1 51 VAL MG1 1 52 ARG H 1.800 . 3.800 3.641 3.563 3.712 . 0 0 "[ . 1 . 2]" 1
403 1 51 VAL MG1 1 52 ARG HA 1.800 . 4.300 3.723 3.671 3.774 . 0 0 "[ . 1 . 2]" 1
404 1 51 VAL MG1 1 52 ARG QG 1.800 . 6.500 4.718 3.400 5.577 . 0 0 "[ . 1 . 2]" 1
405 1 50 VAL MG2 1 52 ARG HA 1.800 . 6.000 6.112 6.073 6.143 0.143 8 0 "[ . 1 . 2]" 1
406 1 49 ALA MB 1 52 ARG QG 1.800 . 6.500 6.027 5.037 6.508 0.008 15 0 "[ . 1 . 2]" 1
407 1 53 GLU H 1 53 GLU QB 1.800 . 3.800 2.182 2.041 2.278 . 0 0 "[ . 1 . 2]" 1
408 1 53 GLU HA 1 53 GLU QG 1.800 . 3.800 2.522 2.072 3.119 . 0 0 "[ . 1 . 2]" 1
409 1 52 ARG QB 1 53 GLU H 1.800 . 5.500 2.428 2.319 2.652 . 0 0 "[ . 1 . 2]" 1
410 1 54 LEU H 1 54 LEU QB 1.800 . 3.800 2.055 2.026 2.229 . 0 0 "[ . 1 . 2]" 1
411 1 54 LEU H 1 54 LEU HG 1.800 . 5.000 4.469 4.308 4.563 . 0 0 "[ . 1 . 2]" 1
412 1 54 LEU H 1 54 LEU MD1 1.800 . 4.300 2.992 2.714 4.026 . 0 0 "[ . 1 . 2]" 1
413 1 54 LEU H 1 54 LEU MD2 1.800 . 6.000 3.969 3.728 4.350 . 0 0 "[ . 1 . 2]" 1
414 1 54 LEU HA 1 54 LEU HG 1.800 . 2.800 2.704 2.313 2.854 0.054 14 0 "[ . 1 . 2]" 1
415 1 54 LEU HA 1 54 LEU MD1 1.800 . 4.300 2.076 1.893 2.668 . 0 0 "[ . 1 . 2]" 1
416 1 54 LEU HA 1 54 LEU MD2 1.800 . 4.300 3.749 3.705 3.920 . 0 0 "[ . 1 . 2]" 1
417 1 54 LEU HB3 1 54 LEU MD1 1.800 . 6.000 3.176 3.111 3.186 . 0 0 "[ . 1 . 2]" 1
418 1 54 LEU HB3 1 54 LEU MD2 1.800 . 6.000 2.394 2.002 2.551 . 0 0 "[ . 1 . 2]" 1
419 1 54 LEU HB2 1 54 LEU MD1 1.800 . 6.000 2.401 2.016 2.543 . 0 0 "[ . 1 . 2]" 1
420 1 54 LEU HB2 1 54 LEU MD2 1.800 . 6.000 2.228 2.059 2.682 . 0 0 "[ . 1 . 2]" 1
421 1 51 VAL HA 1 54 LEU HG 1.800 . 5.000 5.002 4.863 5.069 0.069 16 0 "[ . 1 . 2]" 1
422 1 53 GLU QB 1 54 LEU MD1 1.800 . 6.500 3.868 3.492 5.121 . 0 0 "[ . 1 . 2]" 1
423 1 53 GLU QB 1 54 LEU H 1.800 . 3.800 3.018 2.929 3.080 . 0 0 "[ . 1 . 2]" 1
424 1 50 VAL MG2 1 54 LEU HG 1.800 . 6.000 4.761 4.028 6.013 0.013 16 0 "[ . 1 . 2]" 1
425 1 50 VAL MG2 1 54 LEU MD1 1.800 . 6.000 2.585 1.778 3.859 0.022 15 0 "[ . 1 . 2]" 1
426 1 55 GLN H 1 55 GLN HB3 1.800 . 3.300 3.124 2.444 3.302 0.002 16 0 "[ . 1 . 2]" 1
427 1 55 GLN H 1 55 GLN QG 1.800 . 5.500 3.709 3.330 4.020 . 0 0 "[ . 1 . 2]" 1
428 1 55 GLN HA 1 55 GLN QG 1.800 . 3.800 2.265 2.024 2.630 . 0 0 "[ . 1 . 2]" 1
429 1 54 LEU QB 1 55 GLN H 1.800 . 3.800 2.583 2.484 2.640 . 0 0 "[ . 1 . 2]" 1
430 1 54 LEU HG 1 55 GLN H 1.800 . 5.000 4.719 3.840 4.923 . 0 0 "[ . 1 . 2]" 1
431 1 54 LEU MD1 1 55 GLN H 1.800 . 6.000 4.529 4.424 4.696 . 0 0 "[ . 1 . 2]" 1
432 1 54 LEU MD2 1 55 GLN H 1.800 . 6.000 4.539 3.837 4.640 . 0 0 "[ . 1 . 2]" 1
433 1 55 GLN HA 1 58 VAL QG 1.800 . 7.000 3.654 2.188 3.941 . 0 0 "[ . 1 . 2]" 1
434 1 56 GLU H 1 56 GLU HB3 1.800 . 3.300 2.844 2.684 2.947 . 0 0 "[ . 1 . 2]" 1
435 1 56 GLU H 1 56 GLU HB2 1.800 . 3.300 2.280 2.212 2.410 . 0 0 "[ . 1 . 2]" 1
436 1 56 GLU H 1 56 GLU QG 1.800 . 5.500 3.865 3.796 3.961 . 0 0 "[ . 1 . 2]" 1
437 1 56 GLU HA 1 56 GLU QG 1.800 . 3.800 2.152 2.074 2.273 . 0 0 "[ . 1 . 2]" 1
438 1 55 GLN HA 1 56 GLU H 1.800 . 5.000 3.484 3.460 3.498 . 0 0 "[ . 1 . 2]" 1
439 1 55 GLN HB3 1 56 GLU H 1.800 . 5.000 3.076 2.713 3.234 . 0 0 "[ . 1 . 2]" 1
440 1 55 GLN HB2 1 56 GLU H 1.800 . 5.000 3.377 3.163 4.031 . 0 0 "[ . 1 . 2]" 1
441 1 55 GLN QG 1 56 GLU H 1.800 . 5.500 4.398 3.745 4.595 . 0 0 "[ . 1 . 2]" 1
442 1 53 GLU HA 1 56 GLU QG 1.800 . 5.500 4.167 3.997 4.445 . 0 0 "[ . 1 . 2]" 1
443 1 53 GLU QG 1 56 GLU HB3 1.800 . 5.000 3.175 2.301 4.552 . 0 0 "[ . 1 . 2]" 1
444 1 53 GLU QG 1 56 GLU HB2 1.800 . 5.000 3.904 3.075 4.920 . 0 0 "[ . 1 . 2]" 1
445 1 57 GLU H 1 57 GLU QB 1.800 . 3.800 2.382 2.247 2.595 . 0 0 "[ . 1 . 2]" 1
446 1 57 GLU H 1 57 GLU QG 1.800 . 5.500 3.424 2.424 4.093 . 0 0 "[ . 1 . 2]" 1
447 1 57 GLU HA 1 57 GLU QG 1.800 . 3.800 2.485 1.969 2.950 . 0 0 "[ . 1 . 2]" 1
448 1 56 GLU HA 1 57 GLU H 1.800 . 5.000 3.485 3.461 3.515 . 0 0 "[ . 1 . 2]" 1
449 1 56 GLU HB3 1 57 GLU H 1.800 . 5.000 3.006 2.846 3.129 . 0 0 "[ . 1 . 2]" 1
450 1 56 GLU HB2 1 57 GLU H 1.800 . 5.000 3.765 3.640 3.914 . 0 0 "[ . 1 . 2]" 1
451 1 56 GLU QG 1 57 GLU H 1.800 . 5.500 4.509 4.303 4.637 . 0 0 "[ . 1 . 2]" 1
452 1 56 GLU HB3 1 57 GLU HA 1.800 . 5.500 4.201 4.164 4.274 . 0 0 "[ . 1 . 2]" 1
453 1 56 GLU HB2 1 57 GLU HA 1.800 . 5.500 5.564 5.534 5.609 0.109 8 0 "[ . 1 . 2]" 1
454 1 55 GLN QB 1 57 GLU H 1.800 . 5.500 4.605 4.518 4.724 . 0 0 "[ . 1 . 2]" 1
455 1 54 LEU MD2 1 57 GLU H 1.800 . 6.000 6.080 6.016 6.132 0.132 17 0 "[ . 1 . 2]" 1
456 1 54 LEU HA 1 57 GLU QG 1.800 . 5.500 4.459 3.468 5.384 . 0 0 "[ . 1 . 2]" 1
457 1 58 VAL H 1 58 VAL HB 1.800 . 3.300 2.825 2.648 2.895 . 0 0 "[ . 1 . 2]" 1
458 1 58 VAL H 1 58 VAL MG1 1.800 . 7.000 3.877 3.054 3.953 . 0 0 "[ . 1 . 2]" 1
459 1 58 VAL H 1 58 VAL MG2 1.800 . 7.000 2.961 2.688 3.847 . 0 0 "[ . 1 . 2]" 1
460 1 58 VAL HA 1 58 VAL MG1 1.800 . 7.000 2.308 2.199 3.043 . 0 0 "[ . 1 . 2]" 1
461 1 58 VAL HA 1 58 VAL MG2 1.800 . 7.000 2.394 2.082 2.537 . 0 0 "[ . 1 . 2]" 1
462 1 57 GLU QB 1 58 VAL H 1.800 . 5.500 3.512 3.482 3.547 . 0 0 "[ . 1 . 2]" 1
463 1 57 GLU QG 1 58 VAL H 1.800 . 5.500 4.702 4.283 4.979 . 0 0 "[ . 1 . 2]" 1
464 1 57 GLU QG 1 58 VAL MG2 1.800 . 7.000 4.603 4.097 5.583 . 0 0 "[ . 1 . 2]" 1
465 1 57 GLU QB 1 58 VAL MG2 1.800 . 7.000 2.992 2.738 4.127 . 0 0 "[ . 1 . 2]" 1
466 1 59 GLY H 1 59 GLY HA2 1.800 . 2.800 2.276 2.270 2.281 . 0 0 "[ . 1 . 2]" 1
467 1 58 VAL HB 1 59 GLY H 1.800 . 3.300 2.546 2.489 3.191 . 0 0 "[ . 1 . 2]" 1
468 1 58 VAL MG1 1 59 GLY H 1.800 . 7.000 3.456 2.062 3.663 . 0 0 "[ . 1 . 2]" 1
469 1 58 VAL MG1 1 59 GLY HA3 1.800 . 7.000 4.427 3.717 4.572 . 0 0 "[ . 1 . 2]" 1
470 1 58 VAL MG1 1 59 GLY HA2 1.800 . 7.000 4.626 3.357 4.865 . 0 0 "[ . 1 . 2]" 1
471 1 55 GLN HA 1 59 GLY HA3 1.800 . 5.000 4.779 4.416 5.007 0.007 3 0 "[ . 1 . 2]" 1
472 1 55 GLN HA 1 59 GLY HA2 1.800 . 5.000 3.418 2.980 3.747 . 0 0 "[ . 1 . 2]" 1
473 1 58 VAL MG2 1 59 GLY HA3 1.800 . 7.000 5.601 5.355 5.690 . 0 0 "[ . 1 . 2]" 1
474 1 58 VAL MG2 1 59 GLY HA2 1.800 . 7.000 5.539 5.472 5.756 . 0 0 "[ . 1 . 2]" 1
475 1 60 ILE H 1 60 ILE HB 1.800 . 3.300 3.342 2.200 3.507 0.207 10 0 "[ . 1 . 2]" 1
476 1 60 ILE H 1 60 ILE QG 1.800 . 5.500 1.965 1.736 4.129 0.064 12 0 "[ . 1 . 2]" 1
477 1 60 ILE H 1 60 ILE MD 1.800 . 6.000 3.485 2.105 4.301 . 0 0 "[ . 1 . 2]" 1
478 1 60 ILE HA 1 60 ILE MD 1.800 . 6.000 3.923 1.812 4.170 . 0 0 "[ . 1 . 2]" 1
479 1 59 GLY HA3 1 60 ILE H 1.800 . 5.000 2.788 2.724 2.864 . 0 0 "[ . 1 . 2]" 1
480 1 59 GLY HA2 1 60 ILE H 1.800 . 3.300 3.485 3.480 3.495 0.195 18 0 "[ . 1 . 2]" 1
481 1 58 VAL MG1 1 60 ILE H 1.800 . 5.000 2.485 1.951 2.667 . 0 0 "[ . 1 . 2]" 1
482 1 58 VAL MG2 1 60 ILE H 1.800 . 5.000 4.595 3.662 4.739 . 0 0 "[ . 1 . 2]" 1
483 1 58 VAL MG1 1 60 ILE MD 1.800 . 7.000 2.473 1.786 4.797 0.014 3 0 "[ . 1 . 2]" 1
484 1 58 VAL MG2 1 60 ILE MG 1.800 . 7.000 5.860 4.077 6.121 . 0 0 "[ . 1 . 2]" 1
485 1 58 VAL MG1 1 60 ILE HB 1.800 . 6.000 3.502 3.221 3.739 . 0 0 "[ . 1 . 2]" 1
486 1 58 VAL MG2 1 60 ILE HB 1.800 . 6.000 5.996 4.703 6.128 0.128 19 0 "[ . 1 . 2]" 1
487 1 61 THR H 1 61 THR HB 1.800 . 3.300 3.459 3.429 3.482 0.182 10 0 "[ . 1 . 2]" 1
488 1 61 THR H 1 61 THR MG 1.800 . 6.000 3.138 2.849 3.243 . 0 0 "[ . 1 . 2]" 1
489 1 61 THR HA 1 61 THR MG 1.800 . 4.300 2.238 2.213 2.274 . 0 0 "[ . 1 . 2]" 1
490 1 60 ILE HA 1 61 THR H 1.800 . 3.300 2.604 2.298 2.660 . 0 0 "[ . 1 . 2]" 1
491 1 60 ILE HB 1 61 THR H 1.800 . 5.000 2.145 1.845 4.178 . 0 0 "[ . 1 . 2]" 1
492 1 60 ILE MG 1 61 THR H 1.800 . 6.000 2.814 2.615 3.040 . 0 0 "[ . 1 . 2]" 1
493 1 62 PRO HA 1 62 PRO HD3 1.800 . 5.000 4.046 4.020 4.084 . 0 0 "[ . 1 . 2]" 1
494 1 62 PRO HA 1 62 PRO HD2 1.800 . 5.000 3.916 3.833 3.945 . 0 0 "[ . 1 . 2]" 1
495 1 63 GLN H 1 63 GLN HG3 1.800 . 3.800 2.430 1.959 3.947 0.147 15 0 "[ . 1 . 2]" 1
496 1 63 GLN H 1 63 GLN HG2 1.800 . 3.800 3.445 2.912 3.830 0.030 13 0 "[ . 1 . 2]" 1
497 1 62 PRO HA 1 63 GLN H 1.800 . 5.000 2.254 2.240 2.285 . 0 0 "[ . 1 . 2]" 1
498 1 62 PRO QB 1 63 GLN H 1.800 . 5.000 3.035 2.806 3.135 . 0 0 "[ . 1 . 2]" 1
499 1 62 PRO QG 1 63 GLN H 1.800 . 5.000 4.337 4.165 4.424 . 0 0 "[ . 1 . 2]" 1
500 1 62 PRO QD 1 63 GLN H 1.800 . 5.000 4.704 4.599 4.739 . 0 0 "[ . 1 . 2]" 1
501 1 64 HIS H 1 64 HIS HB3 1.800 . 3.300 2.349 2.298 2.430 . 0 0 "[ . 1 . 2]" 1
502 1 63 GLN H 1 64 HIS H 1.800 . 3.800 3.807 3.774 3.824 0.024 10 0 "[ . 1 . 2]" 1
503 1 63 GLN HA 1 64 HIS H 1.800 . 5.000 2.256 2.231 2.301 . 0 0 "[ . 1 . 2]" 1
504 1 63 GLN QB 1 64 HIS H 1.800 . 5.500 3.815 3.780 3.942 . 0 0 "[ . 1 . 2]" 1
505 1 63 GLN HG3 1 64 HIS H 1.800 . 5.000 4.949 4.238 5.071 0.071 16 0 "[ . 1 . 2]" 1
506 1 63 GLN HG2 1 64 HIS H 1.800 . 5.000 4.907 4.600 5.016 0.016 12 0 "[ . 1 . 2]" 1
507 1 62 PRO HA 1 64 HIS H 1.800 . 5.000 4.727 4.681 4.798 . 0 0 "[ . 1 . 2]" 1
508 1 62 PRO HB3 1 64 HIS HB3 1.800 . 5.000 4.650 4.551 4.754 . 0 0 "[ . 1 . 2]" 1
509 1 62 PRO HB2 1 64 HIS HB3 1.800 . 5.000 3.327 3.203 3.478 . 0 0 "[ . 1 . 2]" 1
510 1 62 PRO HB3 1 64 HIS HB2 1.800 . 5.000 4.396 4.227 4.533 . 0 0 "[ . 1 . 2]" 1
511 1 62 PRO HB2 1 64 HIS HB2 1.800 . 5.000 2.822 2.604 3.009 . 0 0 "[ . 1 . 2]" 1
512 1 62 PRO HD3 1 64 HIS HB3 1.800 . 5.000 2.011 1.942 2.159 . 0 0 "[ . 1 . 2]" 1
513 1 62 PRO HD3 1 64 HIS HB2 1.800 . 5.500 5.607 5.554 5.628 0.128 3 0 "[ . 1 . 2]" 1
514 1 62 PRO HD2 1 64 HIS HB2 1.800 . 5.500 4.868 4.719 4.910 . 0 0 "[ . 1 . 2]" 1
515 1 65 PHE H 1 65 PHE HB3 1.800 . 3.300 3.302 3.207 3.382 0.082 12 0 "[ . 1 . 2]" 1
516 1 65 PHE H 1 65 PHE QD 1.800 . 6.400 4.454 4.346 4.557 . 0 0 "[ . 1 . 2]" 1
517 1 65 PHE HA 1 65 PHE QD 1.800 . 8.100 2.286 1.973 2.769 . 0 0 "[ . 1 . 2]" 1
518 1 64 HIS HA 1 65 PHE H 1.800 . 2.800 2.163 2.136 2.179 . 0 0 "[ . 1 . 2]" 1
519 1 64 HIS H 1 65 PHE H 1.800 . 5.000 4.343 4.266 4.407 . 0 0 "[ . 1 . 2]" 1
520 1 64 HIS H 1 65 PHE QD 1.800 . 7.100 5.455 5.141 5.789 . 0 0 "[ . 1 . 2]" 1
521 1 64 HIS HA 1 65 PHE QD 1.800 . 7.100 5.627 5.510 5.764 . 0 0 "[ . 1 . 2]" 1
522 1 65 PHE HA 1 66 SER H 1.800 . 3.300 2.521 2.339 3.110 . 0 0 "[ . 1 . 2]" 1
523 1 65 PHE HB3 1 66 SER H 1.800 . 5.000 2.991 1.822 3.486 . 0 0 "[ . 1 . 2]" 1
524 1 65 PHE HB2 1 66 SER H 1.800 . 5.000 3.825 3.298 4.044 . 0 0 "[ . 1 . 2]" 1
525 1 65 PHE QD 1 66 SER H 1.800 . 8.100 2.799 2.141 3.153 . 0 0 "[ . 1 . 2]" 1
526 1 67 LEU H 1 67 LEU QB 1.800 . 3.300 2.704 2.264 3.275 . 0 0 "[ . 1 . 2]" 1
527 1 67 LEU H 1 67 LEU HG 1.800 . 5.000 3.048 2.306 4.691 . 0 0 "[ . 1 . 2]" 1
528 1 67 LEU H 1 67 LEU MD2 1.800 . 3.800 3.401 2.367 3.924 0.124 7 0 "[ . 1 . 2]" 1
529 1 67 LEU H 1 67 LEU MD1 1.800 . 6.000 3.912 1.817 4.721 . 0 0 "[ . 1 . 2]" 1
530 1 66 SER HA 1 67 LEU H 1.800 . 2.800 2.394 2.250 2.748 . 0 0 "[ . 1 . 2]" 1
531 1 66 SER QB 1 67 LEU H 1.800 . 3.800 2.939 2.079 3.375 . 0 0 "[ . 1 . 2]" 1
532 1 68 PHE H 1 68 PHE QE 1.800 . 7.100 5.206 4.367 5.729 . 0 0 "[ . 1 . 2]" 1
533 1 68 PHE H 1 68 PHE QD 1.800 . 5.400 3.054 2.599 3.554 . 0 0 "[ . 1 . 2]" 1
534 1 68 PHE HA 1 68 PHE QD 1.800 . 7.100 3.511 3.171 3.695 . 0 0 "[ . 1 . 2]" 1
535 1 67 LEU HA 1 68 PHE H 1.800 . 3.300 2.162 2.137 2.320 . 0 0 "[ . 1 . 2]" 1
536 1 67 LEU MD1 1 68 PHE H 1.800 . 6.000 3.728 2.189 4.656 . 0 0 "[ . 1 . 2]" 1
537 1 67 LEU MD2 1 68 PHE H 1.800 . 6.000 4.613 2.179 5.223 . 0 0 "[ . 1 . 2]" 1
538 1 67 LEU HG 1 68 PHE H 1.800 . 5.000 4.260 2.597 4.698 . 0 0 "[ . 1 . 2]" 1
539 1 67 LEU HB3 1 68 PHE H 1.800 . 5.000 4.253 3.845 4.426 . 0 0 "[ . 1 . 2]" 1
540 1 67 LEU HB2 1 68 PHE H 1.800 . 5.000 3.511 2.868 4.442 . 0 0 "[ . 1 . 2]" 1
541 1 67 LEU MD1 1 68 PHE QD 1.800 . 7.100 4.867 3.754 5.887 . 0 0 "[ . 1 . 2]" 1
542 1 67 LEU MD1 1 68 PHE QE 1.800 . 7.100 6.075 5.381 7.151 0.051 7 0 "[ . 1 . 2]" 1
543 1 69 GLU H 1 69 GLU HG3 1.800 . 5.000 4.585 4.131 5.027 0.027 17 0 "[ . 1 . 2]" 1
544 1 69 GLU H 1 69 GLU HG2 1.800 . 5.000 4.657 4.202 5.029 0.029 16 0 "[ . 1 . 2]" 1
545 1 69 GLU HA 1 69 GLU HG3 1.800 . 3.300 2.777 2.158 3.309 0.009 15 0 "[ . 1 . 2]" 1
546 1 69 GLU HA 1 69 GLU HG2 1.800 . 3.300 2.439 2.049 3.096 . 0 0 "[ . 1 . 2]" 1
547 1 68 PHE HA 1 69 GLU H 1.800 . 5.000 3.516 3.473 3.558 . 0 0 "[ . 1 . 2]" 1
548 1 68 PHE H 1 69 GLU H 1.800 . 3.300 2.375 1.973 2.611 . 0 0 "[ . 1 . 2]" 1
549 1 68 PHE HB3 1 69 GLU H 1.800 . 5.000 3.258 2.738 3.858 . 0 0 "[ . 1 . 2]" 1
550 1 68 PHE HB2 1 69 GLU H 1.800 . 5.000 4.075 3.836 4.246 . 0 0 "[ . 1 . 2]" 1
551 1 68 PHE QD 1 69 GLU H 1.800 . 5.400 2.283 1.972 3.000 . 0 0 "[ . 1 . 2]" 1
552 1 67 LEU HA 1 69 GLU H 1.800 . 5.000 3.935 3.743 4.186 . 0 0 "[ . 1 . 2]" 1
553 1 67 LEU HG 1 69 GLU H 1.800 . 5.000 4.564 2.396 5.017 0.017 7 0 "[ . 1 . 2]" 1
554 1 67 LEU MD1 1 69 GLU H 1.800 . 6.000 3.226 2.234 4.627 . 0 0 "[ . 1 . 2]" 1
555 1 67 LEU MD2 1 69 GLU H 1.800 . 6.000 4.553 2.239 5.653 . 0 0 "[ . 1 . 2]" 1
556 1 70 LYS H 1 70 LYS QB 1.800 . 3.800 3.084 2.660 3.229 . 0 0 "[ . 1 . 2]" 1
557 1 70 LYS H 1 70 LYS QG 1.800 . 5.500 2.376 1.936 4.104 . 0 0 "[ . 1 . 2]" 1
558 1 70 LYS HA 1 70 LYS QE 1.800 . 5.500 5.047 4.300 5.502 0.002 4 0 "[ . 1 . 2]" 1
559 1 69 GLU QB 1 70 LYS H 1.800 . 3.300 3.136 2.776 3.312 0.012 14 0 "[ . 1 . 2]" 1
560 1 69 GLU HA 1 70 LYS QB 1.800 . 5.500 4.304 3.805 4.490 . 0 0 "[ . 1 . 2]" 1
561 1 69 GLU HA 1 70 LYS QG 1.800 . 5.500 3.806 3.285 5.161 . 0 0 "[ . 1 . 2]" 1
562 1 68 PHE QE 1 70 LYS HA 1.800 . 5.400 5.380 4.972 5.463 0.063 17 0 "[ . 1 . 2]" 1
563 1 68 PHE QD 1 70 LYS HA 1.800 . 7.100 5.473 5.045 6.110 . 0 0 "[ . 1 . 2]" 1
564 1 71 LEU H 1 71 LEU QB 1.800 . 3.800 2.581 2.309 2.993 . 0 0 "[ . 1 . 2]" 1
565 1 71 LEU H 1 71 LEU HG 1.800 . 4.300 3.969 2.155 4.364 0.064 7 0 "[ . 1 . 2]" 1
566 1 71 LEU H 1 71 LEU MD1 1.800 . 6.000 3.827 1.792 4.608 0.008 16 0 "[ . 1 . 2]" 1
567 1 71 LEU H 1 71 LEU MD2 1.800 . 6.000 3.663 1.933 4.350 . 0 0 "[ . 1 . 2]" 1
568 1 71 LEU HA 1 71 LEU MD1 1.800 . 6.000 3.062 2.088 4.093 . 0 0 "[ . 1 . 2]" 1
569 1 71 LEU HA 1 71 LEU MD2 1.800 . 6.000 3.781 3.378 4.097 . 0 0 "[ . 1 . 2]" 1
570 1 71 LEU QB 1 71 LEU MD1 1.800 . 4.300 2.153 1.915 2.402 . 0 0 "[ . 1 . 2]" 1
571 1 71 LEU QB 1 71 LEU MD2 1.800 . 4.300 2.063 1.955 2.165 . 0 0 "[ . 1 . 2]" 1
572 1 70 LYS QG 1 71 LEU H 1.800 . 5.500 4.222 2.971 4.648 . 0 0 "[ . 1 . 2]" 1
573 1 70 LYS QB 1 71 LEU H 1.800 . 5.500 3.147 3.068 3.531 . 0 0 "[ . 1 . 2]" 1
574 1 70 LYS QD 1 71 LEU H 1.800 . 7.000 4.807 3.764 5.691 . 0 0 "[ . 1 . 2]" 1
575 1 72 GLU H 1 72 GLU QG 1.800 . 3.800 3.809 3.121 3.858 0.058 1 0 "[ . 1 . 2]" 1
576 1 72 GLU HA 1 72 GLU QG 1.800 . 5.500 2.694 2.613 3.459 . 0 0 "[ . 1 . 2]" 1
577 1 71 LEU QB 1 72 GLU H 1.800 . 3.800 3.315 2.379 3.821 0.021 12 0 "[ . 1 . 2]" 1
578 1 71 LEU MD2 1 72 GLU H 1.800 . 5.000 4.001 2.250 4.976 . 0 0 "[ . 1 . 2]" 1
579 1 71 LEU MD1 1 72 GLU H 1.800 . 5.000 3.427 2.463 4.870 . 0 0 "[ . 1 . 2]" 1
580 1 73 TYR H 1 73 TYR QB 1.800 . 3.800 3.033 2.656 3.184 . 0 0 "[ . 1 . 2]" 1
581 1 73 TYR H 1 73 TYR QD 1.800 . 7.100 2.432 1.934 4.429 . 0 0 "[ . 1 . 2]" 1
582 1 73 TYR HA 1 73 TYR QD 1.800 . 4.900 3.507 2.494 3.737 . 0 0 "[ . 1 . 2]" 1
583 1 72 GLU QG 1 73 TYR H 1.800 . 3.800 3.114 2.585 3.815 0.015 18 0 "[ . 1 . 2]" 1
584 1 72 GLU QB 1 73 TYR H 1.800 . 5.500 3.806 2.957 3.900 . 0 0 "[ . 1 . 2]" 1
585 1 71 LEU MD1 1 73 TYR QD 1.800 . 5.900 3.633 1.933 5.610 . 0 0 "[ . 1 . 2]" 1
586 1 71 LEU MD1 1 73 TYR QE 1.800 . 8.100 4.410 2.317 7.175 . 0 0 "[ . 1 . 2]" 1
587 1 71 LEU MD1 1 73 TYR QB 1.800 . 6.000 3.682 2.788 5.117 . 0 0 "[ . 1 . 2]" 1
588 1 71 LEU MD2 1 73 TYR QB 1.800 . 6.000 3.707 2.493 6.014 0.014 4 0 "[ . 1 . 2]" 1
589 1 71 LEU QB 1 73 TYR QB 1.800 . 6.000 4.989 4.081 5.556 . 0 0 "[ . 1 . 2]" 1
590 1 74 GLU H 1 74 GLU HG3 1.800 . 3.300 3.066 2.872 3.384 0.084 18 0 "[ . 1 . 2]" 1
591 1 74 GLU H 1 74 GLU HG2 1.800 . 3.300 1.898 1.835 1.945 . 0 0 "[ . 1 . 2]" 1
592 1 73 TYR QB 1 74 GLU H 1.800 . 5.500 2.915 2.648 3.977 . 0 0 "[ . 1 . 2]" 1
593 1 73 TYR QD 1 74 GLU H 1.800 . 7.100 3.935 2.910 4.790 . 0 0 "[ . 1 . 2]" 1
594 1 75 PHE H 1 75 PHE HB3 1.800 . 3.300 3.355 3.314 3.405 0.105 14 0 "[ . 1 . 2]" 1
595 1 75 PHE H 1 75 PHE HB2 1.800 . 3.300 2.129 2.068 2.257 . 0 0 "[ . 1 . 2]" 1
596 1 74 GLU QB 1 75 PHE H 1.800 . 3.800 3.101 2.888 3.303 . 0 0 "[ . 1 . 2]" 1
597 1 74 GLU HG3 1 75 PHE H 1.800 . 5.000 4.729 4.488 5.008 0.008 18 0 "[ . 1 . 2]" 1
598 1 74 GLU HG2 1 75 PHE H 1.800 . 5.000 5.010 4.759 5.038 0.038 14 0 "[ . 1 . 2]" 1
599 1 73 TYR QE 1 75 PHE QE 1.800 . 9.000 2.584 1.934 3.392 . 0 0 "[ . 1 . 2]" 1
600 1 73 TYR QE 1 75 PHE HZ 1.800 . 6.000 3.914 2.849 4.966 . 0 0 "[ . 1 . 2]" 1
601 1 73 TYR QD 1 75 PHE QE 1.800 . 9.000 3.492 2.151 4.521 . 0 0 "[ . 1 . 2]" 1
602 1 73 TYR QD 1 75 PHE HZ 1.800 . 6.000 5.064 4.554 5.641 . 0 0 "[ . 1 . 2]" 1
603 1 76 PRO HA 1 76 PRO HD3 1.800 . 5.000 3.307 3.234 3.347 . 0 0 "[ . 1 . 2]" 1
604 1 76 PRO HA 1 76 PRO HD2 1.800 . 5.000 4.034 4.011 4.045 . 0 0 "[ . 1 . 2]" 1
605 1 75 PHE HA 1 76 PRO HD3 1.800 . 3.800 2.647 2.616 2.693 . 0 0 "[ . 1 . 2]" 1
606 1 75 PHE HA 1 76 PRO HD2 1.800 . 3.800 2.393 2.355 2.425 . 0 0 "[ . 1 . 2]" 1
607 1 75 PHE QD 1 76 PRO QG 1.800 . 7.500 3.298 2.933 3.608 . 0 0 "[ . 1 . 2]" 1
608 1 75 PHE QE 1 76 PRO QG 1.800 . 7.500 4.634 4.312 4.991 . 0 0 "[ . 1 . 2]" 1
609 1 77 ASP H 1 77 ASP QB 1.800 . 3.800 3.273 3.147 3.515 . 0 0 "[ . 1 . 2]" 1
610 1 76 PRO HA 1 77 ASP H 1.800 . 3.300 2.331 2.299 2.351 . 0 0 "[ . 1 . 2]" 1
611 1 76 PRO HB3 1 77 ASP H 1.800 . 5.000 4.437 4.408 4.451 . 0 0 "[ . 1 . 2]" 1
612 1 76 PRO HB2 1 77 ASP H 1.800 . 5.000 4.227 4.204 4.245 . 0 0 "[ . 1 . 2]" 1
613 1 76 PRO QG 1 77 ASP H 1.800 . 5.500 4.788 4.768 4.820 . 0 0 "[ . 1 . 2]" 1
614 1 76 PRO HD3 1 77 ASP H 1.800 . 5.000 4.984 4.927 5.009 0.009 7 0 "[ . 1 . 2]" 1
615 1 76 PRO HD2 1 77 ASP H 1.800 . 5.000 5.086 5.071 5.111 0.111 8 0 "[ . 1 . 2]" 1
616 1 78 ARG H 1 78 ARG QG 1.800 . 5.500 4.142 4.079 4.231 . 0 0 "[ . 1 . 2]" 1
617 1 78 ARG HA 1 78 ARG QG 1.800 . 3.800 2.389 2.204 2.512 . 0 0 "[ . 1 . 2]" 1
618 1 77 ASP H 1 78 ARG H 1.800 . 3.300 2.298 2.191 2.687 . 0 0 "[ . 1 . 2]" 1
619 1 77 ASP HA 1 78 ARG H 1.800 . 5.000 3.132 3.054 3.457 . 0 0 "[ . 1 . 2]" 1
620 1 76 PRO QG 1 78 ARG HB3 1.800 . 5.500 5.066 4.698 5.502 0.002 10 0 "[ . 1 . 2]" 1
621 1 76 PRO QG 1 78 ARG HB2 1.800 . 5.500 5.361 4.789 5.513 0.013 1 0 "[ . 1 . 2]" 1
622 1 79 HIS H 1 79 HIS QB 1.800 . 3.800 2.403 2.123 2.586 . 0 0 "[ . 1 . 2]" 1
623 1 78 ARG QB 1 79 HIS H 1.800 . 5.500 3.795 3.476 4.016 . 0 0 "[ . 1 . 2]" 1
624 1 78 ARG QG 1 79 HIS H 1.800 . 5.500 2.977 1.981 3.725 . 0 0 "[ . 1 . 2]" 1
625 1 80 ILE H 1 80 ILE QG 1.800 . 3.800 3.589 2.318 3.906 0.106 9 0 "[ . 1 . 2]" 1
626 1 80 ILE H 1 80 ILE MD 1.800 . 6.000 4.437 3.891 4.646 . 0 0 "[ . 1 . 2]" 1
627 1 80 ILE H 1 80 ILE MG 1.800 . 4.300 2.104 1.888 2.756 . 0 0 "[ . 1 . 2]" 1
628 1 80 ILE HA 1 80 ILE HB 1.800 . 2.800 2.373 2.329 2.670 . 0 0 "[ . 1 . 2]" 1
629 1 80 ILE HA 1 80 ILE MD 1.800 . 6.000 3.737 3.431 4.165 . 0 0 "[ . 1 . 2]" 1
630 1 80 ILE HA 1 80 ILE MG 1.800 . 4.300 3.037 2.410 3.192 . 0 0 "[ . 1 . 2]" 1
631 1 79 HIS QB 1 80 ILE H 1.800 . 5.500 3.812 3.510 3.998 . 0 0 "[ . 1 . 2]" 1
632 1 81 THR H 1 81 THR HB 1.800 . 3.300 3.270 2.995 3.381 0.081 10 0 "[ . 1 . 2]" 1
633 1 81 THR H 1 81 THR MG 1.800 . 6.000 3.533 3.316 3.960 . 0 0 "[ . 1 . 2]" 1
634 1 81 THR HA 1 81 THR MG 1.800 . 6.000 2.095 2.005 2.265 . 0 0 "[ . 1 . 2]" 1
635 1 80 ILE HG13 1 81 THR H 1.800 . 5.000 3.200 2.820 4.012 . 0 0 "[ . 1 . 2]" 1
636 1 80 ILE HG12 1 81 THR H 1.800 . 5.000 4.014 2.721 4.843 . 0 0 "[ . 1 . 2]" 1
637 1 80 ILE MD 1 81 THR H 1.800 . 6.000 4.558 4.316 4.948 . 0 0 "[ . 1 . 2]" 1
638 1 80 ILE HG12 1 81 THR HA 1.800 . 6.000 4.402 3.902 5.114 . 0 0 "[ . 1 . 2]" 1
639 1 80 ILE MG 1 81 THR HA 1.800 . 6.000 4.538 3.444 5.614 . 0 0 "[ . 1 . 2]" 1
640 1 82 LEU H 1 82 LEU QB 1.800 . 5.500 2.407 2.210 2.840 . 0 0 "[ . 1 . 2]" 1
641 1 82 LEU H 1 82 LEU MD1 1.800 . 4.300 4.099 3.686 4.332 0.032 3 0 "[ . 1 . 2]" 1
642 1 82 LEU H 1 82 LEU MD2 1.800 . 6.000 4.178 3.446 4.527 . 0 0 "[ . 1 . 2]" 1
643 1 81 THR H 1 82 LEU H 1.800 . 5.000 4.363 4.161 4.450 . 0 0 "[ . 1 . 2]" 1
644 1 81 THR MG 1 82 LEU H 1.800 . 6.000 3.405 2.919 3.631 . 0 0 "[ . 1 . 2]" 1
645 1 82 LEU HA 1 82 LEU MD1 1.800 . 6.000 3.292 2.173 3.891 . 0 0 "[ . 1 . 2]" 1
646 1 82 LEU HA 1 82 LEU MD2 1.800 . 6.000 2.774 1.961 4.087 . 0 0 "[ . 1 . 2]" 1
647 1 80 ILE MG 1 82 LEU MD1 1.800 . 6.000 4.619 3.540 6.008 0.008 8 0 "[ . 1 . 2]" 1
648 1 83 TRP H 1 83 TRP HE1 1.800 . 5.000 5.022 4.882 5.071 0.071 14 0 "[ . 1 . 2]" 1
649 1 83 TRP H 1 83 TRP HD1 1.800 . 5.000 2.562 2.495 2.870 . 0 0 "[ . 1 . 2]" 1
650 1 82 LEU QB 1 83 TRP H 1.800 . 5.500 3.610 3.410 3.876 . 0 0 "[ . 1 . 2]" 1
651 1 82 LEU MD1 1 83 TRP H 1.800 . 6.000 4.461 2.474 5.356 . 0 0 "[ . 1 . 2]" 1
652 1 82 LEU MD2 1 83 TRP H 1.800 . 6.000 3.794 2.639 5.305 . 0 0 "[ . 1 . 2]" 1
653 1 84 PHE H 1 84 PHE QD 1.800 . 5.400 2.814 2.022 3.312 . 0 0 "[ . 1 . 2]" 1
654 1 84 PHE H 1 84 PHE QE 1.800 . 7.100 5.020 4.355 5.357 . 0 0 "[ . 1 . 2]" 1
655 1 84 PHE HA 1 84 PHE QD 1.800 . 7.100 2.464 1.932 3.138 . 0 0 "[ . 1 . 2]" 1
656 1 83 TRP HB3 1 84 PHE H 1.800 . 5.000 3.397 3.372 3.451 . 0 0 "[ . 1 . 2]" 1
657 1 83 TRP HB2 1 84 PHE H 1.800 . 5.000 4.260 4.131 4.297 . 0 0 "[ . 1 . 2]" 1
658 1 83 TRP HD1 1 84 PHE H 1.800 . 5.000 5.074 4.818 5.161 0.161 2 0 "[ . 1 . 2]" 1
659 1 82 LEU MD1 1 84 PHE QE 1.800 . 6.400 2.617 1.841 3.697 . 0 0 "[ . 1 . 2]" 1
660 1 82 LEU MD2 1 84 PHE QE 1.800 . 6.400 2.586 1.921 3.964 . 0 0 "[ . 1 . 2]" 1
661 1 82 LEU MD1 1 84 PHE HZ 1.800 . 4.300 3.467 2.025 4.302 0.002 11 0 "[ . 1 . 2]" 1
662 1 82 LEU MD2 1 84 PHE HZ 1.800 . 4.300 3.537 2.487 4.319 0.019 8 0 "[ . 1 . 2]" 1
663 1 85 TRP H 1 85 TRP HE1 1.800 . 5.000 4.971 4.624 5.025 0.025 14 0 "[ . 1 . 2]" 1
664 1 84 PHE QD 1 85 TRP H 1.800 . 7.100 4.353 3.914 4.764 . 0 0 "[ . 1 . 2]" 1
665 1 86 LEU H 1 86 LEU QB 1.800 . 5.500 2.322 2.247 2.666 . 0 0 "[ . 1 . 2]" 1
666 1 86 LEU H 1 86 LEU MD1 1.800 . 7.000 4.180 3.839 4.356 . 0 0 "[ . 1 . 2]" 1
667 1 85 TRP HB3 1 86 LEU H 1.800 . 5.000 2.810 2.767 3.108 . 0 0 "[ . 1 . 2]" 1
668 1 85 TRP HB2 1 86 LEU H 1.800 . 5.000 3.979 3.863 4.197 . 0 0 "[ . 1 . 2]" 1
669 1 85 TRP HE3 1 86 LEU H 1.800 . 5.000 3.982 3.546 4.364 . 0 0 "[ . 1 . 2]" 1
670 1 87 VAL H 1 87 VAL MG1 1.800 . 6.000 3.837 3.759 3.897 . 0 0 "[ . 1 . 2]" 1
671 1 87 VAL H 1 87 VAL MG2 1.800 . 4.300 2.495 1.955 2.777 . 0 0 "[ . 1 . 2]" 1
672 1 86 LEU QB 1 87 VAL H 1.800 . 5.000 3.706 3.024 3.940 . 0 0 "[ . 1 . 2]" 1
673 1 86 LEU HG 1 87 VAL H 1.800 . 5.500 3.587 2.450 5.118 . 0 0 "[ . 1 . 2]" 1
674 1 86 LEU MD1 1 87 VAL H 1.800 . 4.300 2.749 2.025 4.071 . 0 0 "[ . 1 . 2]" 1
675 1 88 GLU H 1 88 GLU QG 1.800 . 5.500 3.064 2.146 4.083 . 0 0 "[ . 1 . 2]" 1
676 1 88 GLU HA 1 88 GLU QG 1.800 . 5.500 2.842 2.509 3.404 . 0 0 "[ . 1 . 2]" 1
677 1 87 VAL MG1 1 88 GLU H 1.800 . 4.300 2.096 1.992 2.127 . 0 0 "[ . 1 . 2]" 1
678 1 87 VAL HB 1 88 GLU H 1.800 . 5.000 3.801 3.728 3.834 . 0 0 "[ . 1 . 2]" 1
679 1 87 VAL HB 1 88 GLU HA 1.800 . 4.300 4.511 4.465 4.547 0.247 20 0 "[ . 1 . 2]" 1
680 1 89 ARG H 1 89 ARG QG 1.800 . 5.500 3.801 2.951 4.065 . 0 0 "[ . 1 . 2]" 1
681 1 89 ARG HA 1 89 ARG QG 1.800 . 5.500 3.125 2.694 3.399 . 0 0 "[ . 1 . 2]" 1
682 1 88 GLU QB 1 89 ARG H 1.800 . 5.500 3.050 2.870 3.720 . 0 0 "[ . 1 . 2]" 1
683 1 88 GLU QG 1 89 ARG H 1.800 . 3.800 3.743 2.441 3.817 0.017 19 0 "[ . 1 . 2]" 1
684 1 88 GLU HA 1 89 ARG H 1.800 . 5.000 3.527 3.494 3.578 . 0 0 "[ . 1 . 2]" 1
685 1 88 GLU H 1 89 ARG H 1.800 . 3.300 2.213 2.150 2.324 . 0 0 "[ . 1 . 2]" 1
686 1 88 GLU H 1 89 ARG HA 1.800 . 5.000 4.823 4.794 4.862 . 0 0 "[ . 1 . 2]" 1
687 1 88 GLU H 1 89 ARG QB 1.800 . 6.000 4.459 4.340 4.813 . 0 0 "[ . 1 . 2]" 1
688 1 88 GLU H 1 89 ARG QG 1.800 . 6.000 5.655 4.756 5.912 . 0 0 "[ . 1 . 2]" 1
689 1 87 VAL HA 1 89 ARG H 1.800 . 5.000 4.169 4.100 4.320 . 0 0 "[ . 1 . 2]" 1
690 1 87 VAL MG1 1 89 ARG H 1.800 . 6.000 2.361 2.247 2.508 . 0 0 "[ . 1 . 2]" 1
691 1 90 TRP H 1 90 TRP HB3 1.800 . 3.300 3.176 3.135 3.230 . 0 0 "[ . 1 . 2]" 1
692 1 90 TRP H 1 90 TRP HD1 1.800 . 5.000 4.626 4.347 4.771 . 0 0 "[ . 1 . 2]" 1
693 1 89 ARG HA 1 90 TRP H 1.800 . 2.800 2.406 2.359 2.436 . 0 0 "[ . 1 . 2]" 1
694 1 89 ARG H 1 90 TRP H 1.800 . 5.000 4.386 4.372 4.399 . 0 0 "[ . 1 . 2]" 1
695 1 89 ARG QB 1 90 TRP H 1.800 . 5.500 3.157 2.561 3.337 . 0 0 "[ . 1 . 2]" 1
696 1 89 ARG QG 1 90 TRP H 1.800 . 5.500 2.375 1.868 3.504 . 0 0 "[ . 1 . 2]" 1
697 1 87 VAL MG1 1 90 TRP HE3 1.800 . 6.000 3.531 3.352 3.621 . 0 0 "[ . 1 . 2]" 1
698 1 89 ARG H 1 90 TRP HE3 1.800 . 5.000 5.050 5.022 5.068 0.068 9 0 "[ . 1 . 2]" 1
699 1 91 GLU H 1 91 GLU QB 1.800 . 3.800 2.248 2.051 2.388 . 0 0 "[ . 1 . 2]" 1
700 1 91 GLU H 1 91 GLU QG 1.800 . 5.500 3.144 2.430 3.978 . 0 0 "[ . 1 . 2]" 1
701 1 91 GLU HA 1 91 GLU QG 1.800 . 5.500 2.260 2.061 2.402 . 0 0 "[ . 1 . 2]" 1
702 1 90 TRP HA 1 91 GLU H 1.800 . 3.300 2.148 2.125 2.195 . 0 0 "[ . 1 . 2]" 1
703 1 90 TRP HB3 1 91 GLU H 1.800 . 5.000 4.390 4.251 4.472 . 0 0 "[ . 1 . 2]" 1
704 1 90 TRP HB2 1 91 GLU H 1.800 . 5.000 3.386 3.124 3.536 . 0 0 "[ . 1 . 2]" 1
705 1 90 TRP HD1 1 91 GLU H 1.800 . 5.000 3.716 3.598 3.826 . 0 0 "[ . 1 . 2]" 1
706 1 91 GLU HA 1 92 GLY H 1.800 . 2.800 2.241 2.160 2.321 . 0 0 "[ . 1 . 2]" 1
707 1 91 GLU H 1 92 GLY H 1.800 . 5.000 4.608 4.528 4.625 . 0 0 "[ . 1 . 2]" 1
708 1 91 GLU QG 1 92 GLY H 1.800 . 5.500 3.297 1.958 4.220 . 0 0 "[ . 1 . 2]" 1
709 1 91 GLU QB 1 92 GLY H 1.800 . 5.500 3.075 2.601 3.539 . 0 0 "[ . 1 . 2]" 1
710 1 90 TRP HD1 1 92 GLY H 1.800 . 5.000 4.340 3.774 4.590 . 0 0 "[ . 1 . 2]" 1
711 1 93 GLU H 1 93 GLU QB 1.800 . 3.800 2.596 2.427 2.778 . 0 0 "[ . 1 . 2]" 1
712 1 93 GLU H 1 93 GLU HG3 1.800 . 5.000 3.562 2.619 4.701 . 0 0 "[ . 1 . 2]" 1
713 1 93 GLU H 1 93 GLU HG2 1.800 . 5.000 4.092 3.671 4.840 . 0 0 "[ . 1 . 2]" 1
714 1 93 GLU HA 1 93 GLU HG3 1.800 . 3.300 3.016 2.162 3.328 0.028 20 0 "[ . 1 . 2]" 1
715 1 93 GLU HA 1 93 GLU HG2 1.800 . 3.300 2.622 2.151 3.302 0.002 16 0 "[ . 1 . 2]" 1
716 1 92 GLY HA3 1 93 GLU H 1.800 . 3.300 2.144 2.135 2.156 . 0 0 "[ . 1 . 2]" 1
717 1 92 GLY HA2 1 93 GLU H 1.800 . 3.300 3.225 3.130 3.362 0.062 16 0 "[ . 1 . 2]" 1
718 1 92 GLY H 1 93 GLU H 1.800 . 5.000 4.509 4.326 4.582 . 0 0 "[ . 1 . 2]" 1
719 1 90 TRP HE1 1 93 GLU HA 1.800 . 3.800 2.114 1.944 2.577 . 0 0 "[ . 1 . 2]" 1
720 1 93 GLU HA 1 94 PRO HD3 1.800 . 3.800 1.822 1.797 1.846 0.003 11 0 "[ . 1 . 2]" 1
721 1 93 GLU HA 1 94 PRO HD2 1.800 . 3.800 2.980 2.876 3.031 . 0 0 "[ . 1 . 2]" 1
722 1 90 TRP HE1 1 94 PRO HD3 1.800 . 5.000 2.037 1.929 2.258 . 0 0 "[ . 1 . 2]" 1
723 1 90 TRP HE1 1 94 PRO HD2 1.800 . 3.800 3.758 3.700 3.836 0.036 16 0 "[ . 1 . 2]" 1
724 1 95 TRP H 1 95 TRP QB 1.800 . 3.800 3.148 3.059 3.187 . 0 0 "[ . 1 . 2]" 1
725 1 95 TRP H 1 95 TRP HD1 1.800 . 3.300 3.090 2.734 3.205 . 0 0 "[ . 1 . 2]" 1
726 1 94 PRO HA 1 95 TRP H 1.800 . 3.800 2.176 2.157 2.198 . 0 0 "[ . 1 . 2]" 1
727 1 94 PRO QB 1 95 TRP H 1.800 . 5.500 3.360 3.352 3.370 . 0 0 "[ . 1 . 2]" 1
728 1 94 PRO QD 1 95 TRP HA 1.800 . 5.000 5.052 5.031 5.070 0.070 11 0 "[ . 1 . 2]" 1
729 1 95 TRP HA 1 96 GLY H 1.800 . 5.000 3.557 3.546 3.565 . 0 0 "[ . 1 . 2]" 1
730 1 95 TRP QB 1 96 GLY H 1.800 . 3.800 3.003 2.833 3.091 . 0 0 "[ . 1 . 2]" 1
731 1 95 TRP QB 1 96 GLY HA3 1.800 . 5.000 4.798 4.698 4.858 . 0 0 "[ . 1 . 2]" 1
732 1 95 TRP QB 1 96 GLY HA2 1.800 . 5.000 4.527 4.334 4.612 . 0 0 "[ . 1 . 2]" 1
733 1 96 GLY HA3 1 97 LYS H 1.800 . 3.800 2.207 2.151 2.231 . 0 0 "[ . 1 . 2]" 1
734 1 96 GLY HA2 1 97 LYS H 1.800 . 3.800 3.439 3.366 3.464 . 0 0 "[ . 1 . 2]" 1
735 1 96 GLY H 1 97 LYS H 1.800 . 5.000 4.262 4.222 4.366 . 0 0 "[ . 1 . 2]" 1
736 1 98 GLU H 1 98 GLU HG3 1.800 . 3.300 2.644 1.855 3.508 0.208 20 0 "[ . 1 . 2]" 1
737 1 98 GLU H 1 98 GLU HG2 1.800 . 3.300 2.774 1.788 3.418 0.118 4 0 "[ . 1 . 2]" 1
738 1 97 LYS H 1 98 GLU H 1.800 . 2.800 1.994 1.759 2.802 0.041 14 0 "[ . 1 . 2]" 1
739 1 97 LYS HA 1 98 GLU H 1.800 . 5.000 2.832 2.400 3.052 . 0 0 "[ . 1 . 2]" 1
740 1 97 LYS QB 1 98 GLU H 1.800 . 5.500 3.844 3.734 4.013 . 0 0 "[ . 1 . 2]" 1
741 1 97 LYS QG 1 98 GLU H 1.800 . 5.500 4.629 3.997 4.923 . 0 0 "[ . 1 . 2]" 1
742 1 98 GLU QB 1 99 GLY H 1.800 . 5.500 3.340 2.770 3.770 . 0 0 "[ . 1 . 2]" 1
743 1 98 GLU HG3 1 99 GLY H 1.800 . 5.000 3.131 1.959 5.017 0.017 14 0 "[ . 1 . 2]" 1
744 1 98 GLU HG2 1 99 GLY H 1.800 . 5.000 3.471 2.055 5.021 0.021 13 0 "[ . 1 . 2]" 1
745 1 98 GLU HA 1 99 GLY H 1.800 . 5.000 3.507 3.381 3.578 . 0 0 "[ . 1 . 2]" 1
746 1 98 GLU H 1 99 GLY H 1.800 . 2.800 2.580 2.272 2.809 0.009 19 0 "[ . 1 . 2]" 1
747 1 97 LYS H 1 99 GLY H 1.800 . 5.000 4.371 4.013 4.951 . 0 0 "[ . 1 . 2]" 1
748 1 98 GLU HA 1 99 GLY HA3 1.800 . 5.500 4.553 4.504 4.605 . 0 0 "[ . 1 . 2]" 1
749 1 98 GLU HA 1 99 GLY HA2 1.800 . 5.500 5.175 4.876 5.290 . 0 0 "[ . 1 . 2]" 1
750 1 99 GLY HA3 1 100 GLN H 1.800 . 5.000 3.257 2.199 3.523 . 0 0 "[ . 1 . 2]" 1
751 1 99 GLY HA2 1 100 GLN H 1.800 . 5.000 3.205 2.891 3.567 . 0 0 "[ . 1 . 2]" 1
752 1 99 GLY HA3 1 100 GLN HA 1.800 . 5.000 4.560 4.326 4.597 . 0 0 "[ . 1 . 2]" 1
753 1 99 GLY HA2 1 100 GLN HA 1.800 . 5.000 4.435 4.374 4.553 . 0 0 "[ . 1 . 2]" 1
754 1 99 GLY HA3 1 100 GLN QB 1.800 . 5.500 4.713 4.118 5.097 . 0 0 "[ . 1 . 2]" 1
755 1 99 GLY HA2 1 100 GLN QB 1.800 . 5.500 5.156 4.897 5.487 . 0 0 "[ . 1 . 2]" 1
756 1 100 GLN HA 1 101 PRO QB 1.800 . 4.300 4.416 4.406 4.435 0.135 20 0 "[ . 1 . 2]" 1
757 1 100 GLN HA 1 101 PRO HD3 1.800 . 3.300 2.344 2.139 2.411 . 0 0 "[ . 1 . 2]" 1
758 1 100 GLN HA 1 101 PRO HD2 1.800 . 3.300 2.174 2.160 2.224 . 0 0 "[ . 1 . 2]" 1
759 1 100 GLN QG 1 101 PRO QB 1.800 . 6.000 5.819 5.456 6.020 0.020 4 0 "[ . 1 . 2]" 1
760 1 100 GLN QG 1 101 PRO HD3 1.800 . 5.500 4.359 4.227 4.633 . 0 0 "[ . 1 . 2]" 1
761 1 100 GLN QG 1 101 PRO HD2 1.800 . 5.500 4.038 3.730 4.257 . 0 0 "[ . 1 . 2]" 1
762 1 101 PRO HA 1 102 GLY H 1.800 . 3.300 2.197 2.160 2.233 . 0 0 "[ . 1 . 2]" 1
763 1 101 PRO HB3 1 102 GLY H 1.800 . 5.000 3.383 3.201 3.632 . 0 0 "[ . 1 . 2]" 1
764 1 101 PRO HB2 1 102 GLY H 1.800 . 5.000 3.916 3.779 4.094 . 0 0 "[ . 1 . 2]" 1
765 1 101 PRO QG 1 102 GLY H 1.800 . 5.500 4.562 4.490 4.641 . 0 0 "[ . 1 . 2]" 1
766 1 103 GLU H 1 103 GLU QB 1.800 . 3.800 2.725 2.501 3.136 . 0 0 "[ . 1 . 2]" 1
767 1 102 GLY HA3 1 103 GLU H 1.800 . 3.300 2.595 2.584 2.658 . 0 0 "[ . 1 . 2]" 1
768 1 102 GLY HA2 1 103 GLU H 1.800 . 3.300 2.521 2.455 2.547 . 0 0 "[ . 1 . 2]" 1
769 1 104 TRP H 1 104 TRP QB 1.800 . 3.800 2.801 2.737 2.866 . 0 0 "[ . 1 . 2]" 1
770 1 103 GLU QB 1 104 TRP H 1.800 . 3.800 2.866 2.554 3.409 . 0 0 "[ . 1 . 2]" 1
771 1 105 MET H 1 105 MET QG 1.800 . 3.800 2.204 1.930 2.664 . 0 0 "[ . 1 . 2]" 1
772 1 105 MET HA 1 105 MET QG 1.800 . 5.500 3.165 2.621 3.441 . 0 0 "[ . 1 . 2]" 1
773 1 104 TRP QB 1 105 MET H 1.800 . 5.500 3.536 3.519 3.564 . 0 0 "[ . 1 . 2]" 1
774 1 106 SER H 1 106 SER HB3 1.800 . 3.300 2.806 2.336 3.228 . 0 0 "[ . 1 . 2]" 1
775 1 105 MET H 1 106 SER H 1.800 . 5.000 4.484 4.444 4.498 . 0 0 "[ . 1 . 2]" 1
776 1 105 MET HB3 1 106 SER H 1.800 . 5.000 3.434 2.536 4.080 . 0 0 "[ . 1 . 2]" 1
777 1 105 MET HB2 1 106 SER H 1.800 . 3.300 2.936 2.450 3.333 0.033 8 0 "[ . 1 . 2]" 1
778 1 105 MET QG 1 106 SER H 1.800 . 5.500 4.138 3.514 4.601 . 0 0 "[ . 1 . 2]" 1
779 1 107 LEU H 1 107 LEU QB 1.800 . 3.300 2.183 2.039 2.281 . 0 0 "[ . 1 . 2]" 1
780 1 107 LEU H 1 107 LEU QD 1.800 . 7.000 3.512 3.195 3.728 . 0 0 "[ . 1 . 2]" 1
781 1 107 LEU HA 1 107 LEU QD 1.800 . 5.300 1.992 1.834 2.392 . 0 0 "[ . 1 . 2]" 1
782 1 106 SER H 1 107 LEU H 1.800 . 5.000 4.432 4.412 4.495 . 0 0 "[ . 1 . 2]" 1
783 1 106 SER HB3 1 107 LEU H 1.800 . 5.000 4.204 3.920 4.480 . 0 0 "[ . 1 . 2]" 1
784 1 106 SER HB2 1 107 LEU H 1.800 . 5.000 3.916 3.468 4.579 . 0 0 "[ . 1 . 2]" 1
785 1 105 MET HB3 1 107 LEU QD 1.800 . 6.500 5.916 5.313 6.512 0.012 10 0 "[ . 1 . 2]" 1
786 1 105 MET HB2 1 107 LEU QD 1.800 . 6.500 4.950 4.153 5.816 . 0 0 "[ . 1 . 2]" 1
787 1 106 SER HA 1 107 LEU QB 1.800 . 5.500 4.050 4.019 4.094 . 0 0 "[ . 1 . 2]" 1
788 1 108 VAL H 1 108 VAL HB 1.800 . 3.300 2.581 2.483 2.723 . 0 0 "[ . 1 . 2]" 1
789 1 108 VAL H 1 108 VAL QG 1.800 . 5.300 2.122 1.930 2.325 . 0 0 "[ . 1 . 2]" 1
790 1 108 VAL HA 1 108 VAL QG 1.800 . 4.800 2.192 2.067 2.315 . 0 0 "[ . 1 . 2]" 1
791 1 107 LEU HA 1 108 VAL H 1.800 . 5.000 3.439 3.418 3.483 . 0 0 "[ . 1 . 2]" 1
792 1 107 LEU H 1 108 VAL H 1.800 . 3.300 2.500 2.389 2.706 . 0 0 "[ . 1 . 2]" 1
793 1 107 LEU QB 1 108 VAL H 1.800 . 5.500 3.004 2.825 3.092 . 0 0 "[ . 1 . 2]" 1
794 1 107 LEU QD 1 108 VAL H 1.800 . 7.000 3.913 3.599 4.342 . 0 0 "[ . 1 . 2]" 1
795 1 107 LEU QD 1 108 VAL QG 1.800 . 6.000 4.276 3.726 4.802 . 0 0 "[ . 1 . 2]" 1
796 1 108 VAL HA 1 109 GLY H 1.800 . 5.000 3.434 3.372 3.466 . 0 0 "[ . 1 . 2]" 1
797 1 108 VAL HB 1 109 GLY H 1.800 . 5.000 3.770 3.022 4.287 . 0 0 "[ . 1 . 2]" 1
798 1 108 VAL QG 1 109 GLY H 1.800 . 4.800 2.807 2.141 3.558 . 0 0 "[ . 1 . 2]" 1
799 1 108 VAL H 1 109 GLY H 1.800 . 2.800 2.752 2.701 2.801 0.001 2 0 "[ . 1 . 2]" 1
800 1 107 LEU H 1 109 GLY H 1.800 . 5.000 4.297 4.159 4.450 . 0 0 "[ . 1 . 2]" 1
801 1 108 VAL H 1 109 GLY HA3 1.800 . 5.500 5.110 4.993 5.208 . 0 0 "[ . 1 . 2]" 1
802 1 108 VAL H 1 109 GLY HA2 1.800 . 5.500 5.354 5.299 5.392 . 0 0 "[ . 1 . 2]" 1
803 1 110 LEU H 1 110 LEU HB3 1.800 . 2.800 2.664 2.378 2.858 0.058 15 0 "[ . 1 . 2]" 1
804 1 110 LEU H 1 110 LEU HB2 1.800 . 3.300 2.368 2.133 2.654 . 0 0 "[ . 1 . 2]" 1
805 1 110 LEU H 1 110 LEU HG 1.800 . 5.000 4.519 4.396 4.633 . 0 0 "[ . 1 . 2]" 1
806 1 110 LEU H 1 110 LEU MD1 1.800 . 4.300 4.076 3.628 4.297 . 0 0 "[ . 1 . 2]" 1
807 1 110 LEU H 1 110 LEU MD2 1.800 . 6.000 4.014 3.473 4.217 . 0 0 "[ . 1 . 2]" 1
808 1 110 LEU HA 1 110 LEU HG 1.800 . 3.800 2.913 2.367 3.742 . 0 0 "[ . 1 . 2]" 1
809 1 110 LEU HA 1 110 LEU MD1 1.800 . 4.300 2.827 1.961 3.571 . 0 0 "[ . 1 . 2]" 1
810 1 109 GLY HA3 1 110 LEU H 1.800 . 5.000 3.544 3.503 3.559 . 0 0 "[ . 1 . 2]" 1
811 1 109 GLY HA2 1 110 LEU H 1.800 . 5.000 2.766 2.629 2.926 . 0 0 "[ . 1 . 2]" 1
812 1 109 GLY H 1 110 LEU H 1.800 . 2.800 2.831 2.808 2.868 0.068 15 0 "[ . 1 . 2]" 1
813 1 108 VAL H 1 110 LEU H 1.800 . 5.000 4.774 4.560 5.010 0.010 17 0 "[ . 1 . 2]" 1
814 1 108 VAL HA 1 110 LEU H 1.800 . 5.000 4.162 3.723 4.577 . 0 0 "[ . 1 . 2]" 1
815 1 111 ASN H 1 111 ASN HB3 1.800 . 3.300 3.327 3.316 3.342 0.042 4 0 "[ . 1 . 2]" 1
816 1 111 ASN H 1 111 ASN HB2 1.800 . 3.300 2.445 2.325 2.504 . 0 0 "[ . 1 . 2]" 1
817 1 110 LEU H 1 111 ASN H 1.800 . 5.000 4.630 4.532 4.657 . 0 0 "[ . 1 . 2]" 1
818 1 110 LEU HA 1 111 ASN H 1.800 . 2.800 2.268 2.169 2.311 . 0 0 "[ . 1 . 2]" 1
819 1 110 LEU HB3 1 111 ASN H 1.800 . 5.000 3.830 3.598 4.075 . 0 0 "[ . 1 . 2]" 1
820 1 110 LEU HB2 1 111 ASN H 1.800 . 5.000 4.145 3.885 4.434 . 0 0 "[ . 1 . 2]" 1
821 1 110 LEU HG 1 111 ASN H 1.800 . 5.000 2.857 2.051 4.617 . 0 0 "[ . 1 . 2]" 1
822 1 110 LEU MD1 1 111 ASN H 1.800 . 6.000 3.015 1.801 3.979 . 0 0 "[ . 1 . 2]" 1
823 1 110 LEU MD2 1 111 ASN H 1.800 . 6.000 3.170 2.157 4.388 . 0 0 "[ . 1 . 2]" 1
824 1 112 ALA H 1 112 ALA MB 1.800 . 3.800 2.204 2.099 2.261 . 0 0 "[ . 1 . 2]" 1
825 1 111 ASN HA 1 112 ALA H 1.800 . 3.300 2.115 2.090 2.151 . 0 0 "[ . 1 . 2]" 1
826 1 111 ASN HB3 1 112 ALA H 1.800 . 5.000 3.538 3.431 3.671 . 0 0 "[ . 1 . 2]" 1
827 1 111 ASN HB2 1 112 ALA H 1.800 . 5.000 4.427 4.377 4.500 . 0 0 "[ . 1 . 2]" 1
828 1 113 ASP H 1 113 ASP HB3 1.800 . 3.300 2.768 2.517 3.300 0.000 2 0 "[ . 1 . 2]" 1
829 1 113 ASP H 1 113 ASP HB2 1.800 . 3.300 2.388 2.104 2.608 . 0 0 "[ . 1 . 2]" 1
830 1 112 ALA HA 1 113 ASP H 1.800 . 5.000 3.403 3.395 3.408 . 0 0 "[ . 1 . 2]" 1
831 1 112 ALA MB 1 113 ASP H 1.800 . 4.300 3.088 3.072 3.138 . 0 0 "[ . 1 . 2]" 1
832 1 112 ALA H 1 113 ASP H 1.800 . 2.800 2.505 2.483 2.530 . 0 0 "[ . 1 . 2]" 1
833 1 111 ASN HA 1 113 ASP H 1.800 . 5.000 3.537 3.459 3.609 . 0 0 "[ . 1 . 2]" 1
834 1 111 ASN HB3 1 113 ASP H 1.800 . 5.000 2.617 2.486 2.805 . 0 0 "[ . 1 . 2]" 1
835 1 111 ASN HB2 1 113 ASP H 1.800 . 5.000 4.263 4.165 4.415 . 0 0 "[ . 1 . 2]" 1
836 1 114 ASP H 1 114 ASP HB3 1.800 . 3.300 3.332 3.309 3.352 0.052 15 0 "[ . 1 . 2]" 1
837 1 114 ASP H 1 114 ASP HB2 1.800 . 3.300 3.328 3.310 3.343 0.043 6 0 "[ . 1 . 2]" 1
838 1 114 ASP HA 1 114 ASP HB3 1.800 . 2.800 2.229 2.223 2.233 . 0 0 "[ . 1 . 2]" 1
839 1 114 ASP HA 1 114 ASP HB2 1.800 . 2.800 2.828 2.816 2.839 0.039 14 0 "[ . 1 . 2]" 1
840 1 113 ASP HA 1 114 ASP H 1.800 . 5.000 3.571 3.566 3.578 . 0 0 "[ . 1 . 2]" 1
841 1 113 ASP HB3 1 114 ASP H 1.800 . 5.000 2.470 2.421 2.826 . 0 0 "[ . 1 . 2]" 1
842 1 113 ASP HB2 1 114 ASP H 1.800 . 5.000 3.572 2.984 3.790 . 0 0 "[ . 1 . 2]" 1
843 1 113 ASP H 1 114 ASP H 1.800 . 2.800 2.588 2.567 2.611 . 0 0 "[ . 1 . 2]" 1
844 1 112 ALA H 1 114 ASP H 1.800 . 5.000 4.580 4.545 4.628 . 0 0 "[ . 1 . 2]" 1
845 1 114 ASP H 1 115 PHE QE 1.800 . 7.100 6.155 5.982 6.399 . 0 0 "[ . 1 . 2]" 1
846 1 115 PHE H 1 115 PHE QB 1.800 . 3.300 2.216 2.152 2.333 . 0 0 "[ . 1 . 2]" 1
847 1 114 ASP HA 1 115 PHE H 1.800 . 5.000 3.490 3.442 3.520 . 0 0 "[ . 1 . 2]" 1
848 1 115 PHE H 1 115 PHE QD 1.800 . 5.400 2.444 2.379 2.549 . 0 0 "[ . 1 . 2]" 1
849 1 115 PHE H 1 115 PHE QE 1.800 . 7.100 4.763 4.699 4.874 . 0 0 "[ . 1 . 2]" 1
850 1 115 PHE HA 1 115 PHE QD 1.800 . 5.400 3.601 3.582 3.617 . 0 0 "[ . 1 . 2]" 1
851 1 114 ASP HB3 1 115 PHE H 1.800 . 5.000 4.248 4.156 4.396 . 0 0 "[ . 1 . 2]" 1
852 1 114 ASP HB2 1 115 PHE H 1.800 . 5.000 3.185 3.020 3.434 . 0 0 "[ . 1 . 2]" 1
853 1 114 ASP H 1 115 PHE H 1.800 . 2.800 2.583 2.544 2.618 . 0 0 "[ . 1 . 2]" 1
854 1 114 ASP HA 1 115 PHE HA 1.800 . 5.000 4.644 4.571 4.688 . 0 0 "[ . 1 . 2]" 1
855 1 114 ASP HB3 1 115 PHE QB 1.800 . 5.500 5.441 5.409 5.481 . 0 0 "[ . 1 . 2]" 1
856 1 114 ASP HB2 1 115 PHE QB 1.800 . 5.500 4.013 3.963 4.076 . 0 0 "[ . 1 . 2]" 1
857 1 114 ASP H 1 115 PHE QD 1.800 . 5.400 4.256 4.111 4.415 . 0 0 "[ . 1 . 2]" 1
858 1 113 ASP H 1 115 PHE H 1.800 . 5.000 3.814 3.716 3.911 . 0 0 "[ . 1 . 2]" 1
859 1 117 PRO HA 1 117 PRO HD3 1.800 . 5.500 3.500 3.463 3.539 . 0 0 "[ . 1 . 2]" 1
860 1 117 PRO HA 1 117 PRO HD2 1.800 . 5.500 4.090 4.085 4.096 . 0 0 "[ . 1 . 2]" 1
861 1 118 ALA H 1 118 ALA MB 1.800 . 6.000 2.145 2.102 2.252 . 0 0 "[ . 1 . 2]" 1
862 1 117 PRO HA 1 118 ALA H 1.800 . 5.000 3.451 3.438 3.476 . 0 0 "[ . 1 . 2]" 1
863 1 117 PRO QB 1 118 ALA H 1.800 . 5.500 3.442 3.378 3.478 . 0 0 "[ . 1 . 2]" 1
864 1 117 PRO QG 1 118 ALA H 1.800 . 5.500 2.819 2.673 2.904 . 0 0 "[ . 1 . 2]" 1
865 1 118 ALA HA 1 119 ASN H 1.800 . 5.000 3.347 3.335 3.362 . 0 0 "[ . 1 . 2]" 1
866 1 118 ALA MB 1 119 ASN H 1.800 . 6.000 3.192 3.166 3.205 . 0 0 "[ . 1 . 2]" 1
867 1 118 ALA HA 1 119 ASN QB 1.800 . 5.000 5.086 5.057 5.115 0.115 17 0 "[ . 1 . 2]" 1
868 1 120 GLU H 1 120 GLU HB3 1.800 . 3.300 2.927 2.074 3.313 0.013 15 0 "[ . 1 . 2]" 1
869 1 120 GLU H 1 120 GLU HB2 1.800 . 3.300 2.484 2.095 3.420 0.120 19 0 "[ . 1 . 2]" 1
870 1 119 ASN HA 1 120 GLU H 1.800 . 5.000 2.929 2.874 3.034 . 0 0 "[ . 1 . 2]" 1
871 1 119 ASN HB3 1 120 GLU H 1.800 . 5.000 4.275 4.215 4.297 . 0 0 "[ . 1 . 2]" 1
872 1 119 ASN HB2 1 120 GLU H 1.800 . 5.000 4.218 4.091 4.323 . 0 0 "[ . 1 . 2]" 1
873 1 119 ASN H 1 120 GLU H 1.800 . 3.300 2.625 2.519 2.696 . 0 0 "[ . 1 . 2]" 1
874 1 119 ASN QB 1 120 GLU HA 1.800 . 5.500 4.265 4.228 4.306 . 0 0 "[ . 1 . 2]" 1
875 1 121 PRO HA 1 121 PRO QD 1.800 . 5.500 3.317 3.274 3.384 . 0 0 "[ . 1 . 2]" 1
876 1 121 PRO HB2 1 121 PRO HD3 1.800 . 4.300 3.871 3.864 3.876 . 0 0 "[ . 1 . 2]" 1
877 1 122 VAL H 1 122 VAL HB 1.800 . 3.300 2.803 2.542 2.980 . 0 0 "[ . 1 . 2]" 1
878 1 122 VAL H 1 122 VAL MG1 1.800 . 6.000 3.755 3.707 3.783 . 0 0 "[ . 1 . 2]" 1
879 1 122 VAL H 1 122 VAL MG2 1.800 . 4.300 2.034 1.903 2.239 . 0 0 "[ . 1 . 2]" 1
880 1 122 VAL HA 1 122 VAL MG1 1.800 . 4.300 2.186 2.020 2.284 . 0 0 "[ . 1 . 2]" 1
881 1 122 VAL HA 1 122 VAL MG2 1.800 . 4.300 2.577 2.441 2.700 . 0 0 "[ . 1 . 2]" 1
882 1 121 PRO HA 1 122 VAL H 1.800 . 5.000 3.553 3.523 3.570 . 0 0 "[ . 1 . 2]" 1
883 1 121 PRO QB 1 122 VAL H 1.800 . 5.500 2.474 2.329 2.659 . 0 0 "[ . 1 . 2]" 1
884 1 121 PRO QG 1 122 VAL H 1.800 . 5.500 3.805 3.710 3.922 . 0 0 "[ . 1 . 2]" 1
885 1 121 PRO QD 1 122 VAL H 1.800 . 3.800 2.927 2.715 3.065 . 0 0 "[ . 1 . 2]" 1
886 1 121 PRO HB2 1 122 VAL HB 1.800 . 5.000 4.983 4.897 5.027 0.027 16 0 "[ . 1 . 2]" 1
887 1 119 ASN HB3 1 122 VAL MG2 1.800 . 6.000 3.782 3.674 3.884 . 0 0 "[ . 1 . 2]" 1
888 1 119 ASN HB2 1 122 VAL MG2 1.800 . 6.000 5.038 4.781 5.192 . 0 0 "[ . 1 . 2]" 1
889 1 123 ILE H 1 123 ILE HB 1.800 . 2.800 2.437 2.145 2.577 . 0 0 "[ . 1 . 2]" 1
890 1 123 ILE H 1 123 ILE MD 1.800 . 4.300 3.818 3.420 4.146 . 0 0 "[ . 1 . 2]" 1
891 1 123 ILE H 1 123 ILE MG 1.800 . 6.000 3.731 3.529 3.772 . 0 0 "[ . 1 . 2]" 1
892 1 123 ILE HA 1 123 ILE MD 1.800 . 3.800 2.490 2.087 2.968 . 0 0 "[ . 1 . 2]" 1
893 1 123 ILE HA 1 123 ILE MG 1.800 . 6.000 2.429 2.257 2.782 . 0 0 "[ . 1 . 2]" 1
894 1 122 VAL HB 1 123 ILE H 1.800 . 3.300 2.420 2.288 2.868 . 0 0 "[ . 1 . 2]" 1
895 1 122 VAL MG1 1 123 ILE H 1.800 . 4.300 3.697 3.347 4.081 . 0 0 "[ . 1 . 2]" 1
896 1 120 GLU HA 1 123 ILE MG 1.800 . 6.000 3.768 2.950 4.157 . 0 0 "[ . 1 . 2]" 1
897 1 120 GLU HA 1 123 ILE MD 1.800 . 6.000 4.833 4.186 5.263 . 0 0 "[ . 1 . 2]" 1
898 1 124 ALA H 1 124 ALA MB 1.800 . 3.800 2.213 2.135 2.237 . 0 0 "[ . 1 . 2]" 1
899 1 123 ILE HB 1 124 ALA H 1.800 . 5.000 2.876 2.663 3.145 . 0 0 "[ . 1 . 2]" 1
900 1 123 ILE MD 1 124 ALA HA 1.800 . 4.300 3.399 2.958 3.721 . 0 0 "[ . 1 . 2]" 1
901 1 123 ILE H 1 124 ALA MB 1.800 . 6.000 4.284 4.208 4.372 . 0 0 "[ . 1 . 2]" 1
902 1 123 ILE MD 1 124 ALA MB 1.800 . 6.000 4.121 3.601 4.350 . 0 0 "[ . 1 . 2]" 1
903 1 125 LYS H 1 125 LYS QB 1.800 . 3.800 2.208 2.059 2.483 . 0 0 "[ . 1 . 2]" 1
904 1 125 LYS H 1 125 LYS QG 1.800 . 5.500 3.551 2.210 4.071 . 0 0 "[ . 1 . 2]" 1
905 1 125 LYS HA 1 125 LYS QG 1.800 . 3.800 2.384 2.076 2.861 . 0 0 "[ . 1 . 2]" 1
906 1 125 LYS QB 1 125 LYS QE 1.800 . 5.500 3.373 2.210 3.840 . 0 0 "[ . 1 . 2]" 1
907 1 124 ALA HA 1 125 LYS H 1.800 . 5.000 3.485 3.468 3.511 . 0 0 "[ . 1 . 2]" 1
908 1 124 ALA MB 1 125 LYS H 1.800 . 6.000 2.777 2.655 2.868 . 0 0 "[ . 1 . 2]" 1
909 1 126 LEU H 1 126 LEU QB 1.800 . 3.300 2.178 2.065 2.260 . 0 0 "[ . 1 . 2]" 1
910 1 126 LEU H 1 126 LEU HG 1.800 . 5.500 4.504 4.038 4.621 . 0 0 "[ . 1 . 2]" 1
911 1 126 LEU H 1 126 LEU MD1 1.800 . 4.300 3.893 3.224 4.330 0.030 18 0 "[ . 1 . 2]" 1
912 1 126 LEU H 1 126 LEU MD2 1.800 . 6.000 3.842 2.120 4.334 . 0 0 "[ . 1 . 2]" 1
913 1 126 LEU HA 1 126 LEU MD1 1.800 . 6.000 2.632 1.899 4.017 . 0 0 "[ . 1 . 2]" 1
914 1 126 LEU HA 1 126 LEU MD2 1.800 . 3.800 3.391 1.993 3.819 0.019 6 0 "[ . 1 . 2]" 1
915 1 127 LYS H 1 127 LYS QB 1.800 . 3.300 2.212 2.185 2.260 . 0 0 "[ . 1 . 2]" 1
916 1 127 LYS H 1 127 LYS HG3 1.800 . 5.000 4.369 4.313 4.476 . 0 0 "[ . 1 . 2]" 1
917 1 127 LYS H 1 127 LYS HG2 1.800 . 5.000 4.524 4.428 4.572 . 0 0 "[ . 1 . 2]" 1
918 1 127 LYS HA 1 127 LYS HG3 1.800 . 3.300 2.398 2.297 2.558 . 0 0 "[ . 1 . 2]" 1
919 1 127 LYS HA 1 127 LYS HG2 1.800 . 3.300 3.276 3.097 3.319 0.019 5 0 "[ . 1 . 2]" 1
920 1 127 LYS HA 1 127 LYS QD 1.800 . 5.300 3.789 3.675 3.987 . 0 0 "[ . 1 . 2]" 1
921 1 127 LYS HB3 1 127 LYS QD 1.800 . 5.300 2.802 2.416 3.118 . 0 0 "[ . 1 . 2]" 1
922 1 127 LYS HB2 1 127 LYS QD 1.800 . 5.300 2.218 2.061 2.363 . 0 0 "[ . 1 . 2]" 1
923 1 124 ALA MB 1 127 LYS QG 1.800 . 6.500 5.285 4.971 5.419 . 0 0 "[ . 1 . 2]" 1
924 1 124 ALA MB 1 127 LYS QD 1.800 . 6.500 4.643 3.795 5.423 . 0 0 "[ . 1 . 2]" 1
925 1 124 ALA HA 1 127 LYS QG 1.800 . 4.300 4.233 4.017 4.326 0.026 5 0 "[ . 1 . 2]" 1
926 1 123 ILE MD 1 127 LYS HA 1.800 . 5.000 4.995 4.447 5.052 0.052 13 0 "[ . 1 . 2]" 1
927 1 128 ARG H 1 128 ARG HB3 1.800 . 3.300 2.447 2.366 2.674 . 0 0 "[ . 1 . 2]" 1
928 1 128 ARG H 1 128 ARG HB2 1.800 . 3.300 2.624 2.401 2.732 . 0 0 "[ . 1 . 2]" 1
929 1 128 ARG H 1 128 ARG HG3 1.800 . 5.000 4.490 4.355 4.528 . 0 0 "[ . 1 . 2]" 1
930 1 128 ARG H 1 128 ARG HG2 1.800 . 5.000 4.405 4.341 4.585 . 0 0 "[ . 1 . 2]" 1
931 1 128 ARG HA 1 128 ARG HG3 1.800 . 3.300 2.591 2.275 2.937 . 0 0 "[ . 1 . 2]" 1
932 1 128 ARG HA 1 128 ARG HG2 1.800 . 3.300 3.229 2.573 3.306 0.006 6 0 "[ . 1 . 2]" 1
933 1 127 LYS HA 1 128 ARG H 1.800 . 5.000 3.532 3.524 3.536 . 0 0 "[ . 1 . 2]" 1
934 1 127 LYS HG3 1 128 ARG H 1.800 . 5.000 4.614 4.528 4.746 . 0 0 "[ . 1 . 2]" 1
935 1 127 LYS HG2 1 128 ARG H 1.800 . 5.000 3.880 3.591 4.052 . 0 0 "[ . 1 . 2]" 1
936 1 127 LYS QG 1 128 ARG HB3 1.800 . 5.500 5.511 5.400 5.525 0.025 12 0 "[ . 1 . 2]" 1
937 1 127 LYS QB 1 128 ARG HB3 1.800 . 5.500 4.587 4.409 4.856 . 0 0 "[ . 1 . 2]" 1
938 1 127 LYS QB 1 128 ARG HB2 1.800 . 5.500 4.054 3.898 4.155 . 0 0 "[ . 1 . 2]" 1
939 1 129 LEU H 1 129 LEU QB 1.800 . 3.300 3.024 2.041 3.364 0.064 20 0 "[ . 1 . 2]" 1
940 1 129 LEU H 1 129 LEU HG 1.800 . 5.500 3.300 2.378 4.297 . 0 0 "[ . 1 . 2]" 1
941 1 129 LEU H 1 129 LEU MD1 1.800 . 6.000 3.126 2.136 4.151 . 0 0 "[ . 1 . 2]" 1
942 1 129 LEU H 1 129 LEU MD2 1.800 . 6.000 3.861 2.612 4.577 . 0 0 "[ . 1 . 2]" 1
943 1 129 LEU HA 1 129 LEU HG 1.800 . 3.300 2.804 2.439 3.377 0.077 17 0 "[ . 1 . 2]" 1
944 1 129 LEU HA 1 129 LEU MD1 1.800 . 6.000 3.415 2.210 4.017 . 0 0 "[ . 1 . 2]" 1
945 1 126 LEU MD2 1 129 LEU H 1.800 . 6.000 5.143 3.881 5.930 . 0 0 "[ . 1 . 2]" 1
946 1 126 LEU MD2 1 129 LEU QD 1.800 . 8.000 4.274 1.922 5.867 . 0 0 "[ . 1 . 2]" 1
947 1 127 LYS HB3 1 129 LEU H 1.800 . 5.000 4.515 4.497 4.555 . 0 0 "[ . 1 . 2]" 1
948 1 127 LYS HB2 1 129 LEU H 1.800 . 5.000 5.145 5.125 5.166 0.166 9 0 "[ . 1 . 2]" 1
949 1 127 LYS QG 1 129 LEU H 1.800 . 5.500 4.702 4.487 4.820 . 0 0 "[ . 1 . 2]" 1
950 1 128 ARG QG 1 129 LEU H 1.800 . 5.500 4.110 4.003 4.366 . 0 0 "[ . 1 . 2]" 1
951 1 128 ARG HB3 1 129 LEU H 1.800 . 5.000 3.396 3.303 3.500 . 0 0 "[ . 1 . 2]" 1
952 1 128 ARG HB2 1 129 LEU H 1.800 . 5.000 4.299 4.168 4.376 . 0 0 "[ . 1 . 2]" 1
953 1 2 LYS QB 1 78 ARG HA 1.800 . 5.500 3.085 2.360 5.226 . 0 0 "[ . 1 . 2]" 1
954 1 2 LYS QB 1 78 ARG QB 1.800 . 6.000 4.152 3.390 5.488 . 0 0 "[ . 1 . 2]" 1
955 1 2 LYS QB 1 78 ARG QG 1.800 . 6.000 3.574 3.059 4.469 . 0 0 "[ . 1 . 2]" 1
956 1 3 LYS H 1 78 ARG QG 1.800 . 5.500 5.452 4.954 5.515 0.015 5 0 "[ . 1 . 2]" 1
957 1 3 LYS HA 1 78 ARG HA 1.800 . 5.000 4.051 3.583 4.399 . 0 0 "[ . 1 . 2]" 1
958 1 3 LYS HA 1 79 HIS H 1.800 . 3.800 2.443 2.021 3.022 . 0 0 "[ . 1 . 2]" 1
959 1 3 LYS HA 1 79 HIS QB 1.800 . 5.500 2.099 1.886 2.578 . 0 0 "[ . 1 . 2]" 1
960 1 3 LYS HB3 1 79 HIS H 1.800 . 5.000 4.282 3.668 5.017 0.017 13 0 "[ . 1 . 2]" 1
961 1 3 LYS HB2 1 79 HIS H 1.800 . 5.000 4.676 3.862 5.013 0.013 14 0 "[ . 1 . 2]" 1
962 1 3 LYS HA 1 80 ILE HA 1.800 . 5.000 4.946 4.673 5.020 0.020 11 0 "[ . 1 . 2]" 1
963 1 4 LEU H 1 79 HIS HA 1.800 . 5.000 4.713 4.482 4.978 . 0 0 "[ . 1 . 2]" 1
964 1 4 LEU H 1 79 HIS QB 1.800 . 5.500 3.055 2.555 3.534 . 0 0 "[ . 1 . 2]" 1
965 1 4 LEU QB 1 79 HIS H 1.800 . 5.500 5.504 5.201 5.551 0.051 7 0 "[ . 1 . 2]" 1
966 1 4 LEU QD 1 79 HIS H 1.800 . 6.500 4.098 3.711 4.740 . 0 0 "[ . 1 . 2]" 1
967 1 4 LEU HG 1 79 HIS H 1.800 . 5.000 4.358 3.620 5.005 0.005 16 0 "[ . 1 . 2]" 1
968 1 4 LEU H 1 80 ILE HA 1.800 . 5.000 3.282 2.876 3.472 . 0 0 "[ . 1 . 2]" 1
969 1 4 LEU QD 1 80 ILE MD 1.800 . 7.500 2.680 2.092 3.201 . 0 0 "[ . 1 . 2]" 1
970 1 4 LEU QD 1 80 ILE QG 1.800 . 6.500 2.834 1.782 3.977 0.018 18 0 "[ . 1 . 2]" 1
971 1 4 LEU H 1 81 THR H 1.800 . 5.000 4.299 3.802 4.754 . 0 0 "[ . 1 . 2]" 1
972 1 4 LEU MD1 1 81 THR H 1.800 . 6.000 3.440 2.188 4.398 . 0 0 "[ . 1 . 2]" 1
973 1 4 LEU HG 1 81 THR H 1.800 . 5.000 4.443 3.590 5.005 0.005 8 0 "[ . 1 . 2]" 1
974 1 5 GLN HB3 1 40 ILE MD 1.800 . 5.500 3.556 3.014 4.679 . 0 0 "[ . 1 . 2]" 1
975 1 5 GLN HB3 1 40 ILE MG 1.800 . 5.500 5.241 4.245 5.573 0.073 10 0 "[ . 1 . 2]" 1
976 1 5 GLN HB2 1 40 ILE MD 1.800 . 5.500 3.777 3.451 4.562 . 0 0 "[ . 1 . 2]" 1
977 1 5 GLN HB2 1 40 ILE MG 1.800 . 5.500 4.978 3.544 5.521 0.021 1 0 "[ . 1 . 2]" 1
978 1 5 GLN HB3 1 41 GLU HB3 1.800 . 5.000 3.584 3.478 3.723 . 0 0 "[ . 1 . 2]" 1
979 1 5 GLN HB3 1 41 GLU HB2 1.800 . 5.000 5.038 5.021 5.063 0.063 5 0 "[ . 1 . 2]" 1
980 1 5 GLN HB2 1 41 GLU HB3 1.800 . 5.000 1.976 1.819 2.179 . 0 0 "[ . 1 . 2]" 1
981 1 5 GLN HB2 1 41 GLU HB2 1.800 . 5.000 3.352 3.289 3.482 . 0 0 "[ . 1 . 2]" 1
982 1 5 GLN HA 1 81 THR H 1.800 . 5.000 2.351 1.923 3.045 . 0 0 "[ . 1 . 2]" 1
983 1 5 GLN QB 1 81 THR H 1.800 . 5.000 4.178 3.236 5.013 0.013 18 0 "[ . 1 . 2]" 1
984 1 5 GLN HA 1 80 ILE QG 1.800 . 5.000 4.575 4.078 5.064 0.064 7 0 "[ . 1 . 2]" 1
985 1 5 GLN QB 1 83 TRP HD1 1.800 . 5.000 5.033 5.013 5.060 0.060 7 0 "[ . 1 . 2]" 1
986 1 6 ILE HB 1 80 ILE MG 1.800 . 6.500 6.348 5.485 6.533 0.033 7 0 "[ . 1 . 2]" 1
987 1 6 ILE H 1 81 THR H 1.800 . 5.000 3.495 3.036 4.050 . 0 0 "[ . 1 . 2]" 1
988 1 6 ILE H 1 81 THR HB 1.800 . 5.000 3.181 2.654 3.825 . 0 0 "[ . 1 . 2]" 1
989 1 6 ILE H 1 82 LEU HA 1.800 . 5.000 3.566 3.042 3.865 . 0 0 "[ . 1 . 2]" 1
990 1 6 ILE MD 1 82 LEU MD1 1.800 . 6.000 4.537 3.445 6.023 0.023 18 0 "[ . 1 . 2]" 1
991 1 6 ILE H 1 83 TRP HD1 1.800 . 5.000 4.290 4.012 4.737 . 0 0 "[ . 1 . 2]" 1
992 1 6 ILE HB 1 83 TRP H 1.800 . 5.000 4.148 3.763 4.822 . 0 0 "[ . 1 . 2]" 1
993 1 6 ILE QG 1 83 TRP H 1.800 . 6.000 5.103 3.749 6.025 0.025 12 0 "[ . 1 . 2]" 1
994 1 6 ILE H 1 40 ILE MG 1.800 . 6.000 4.861 3.776 5.447 . 0 0 "[ . 1 . 2]" 1
995 1 6 ILE H 1 40 ILE MD 1.800 . 6.000 4.215 3.752 5.098 . 0 0 "[ . 1 . 2]" 1
996 1 6 ILE HA 1 40 ILE H 1.800 . 5.000 3.566 3.287 4.138 . 0 0 "[ . 1 . 2]" 1
997 1 6 ILE HA 1 40 ILE MG 1.800 . 4.300 3.104 2.188 3.922 . 0 0 "[ . 1 . 2]" 1
998 1 6 ILE MG 1 38 GLY H 1.800 . 6.000 4.705 4.318 5.239 . 0 0 "[ . 1 . 2]" 1
999 1 7 ALA H 1 38 GLY H 1.800 . 5.000 5.111 5.065 5.141 0.141 16 0 "[ . 1 . 2]" 1
1000 1 7 ALA MB 1 38 GLY H 1.800 . 6.000 5.648 5.246 5.806 . 0 0 "[ . 1 . 2]" 1
1001 1 7 ALA H 1 40 ILE H 1.800 . 5.000 3.320 2.925 3.865 . 0 0 "[ . 1 . 2]" 1
1002 1 7 ALA HA 1 40 ILE MD 1.800 . 6.000 3.622 3.408 3.904 . 0 0 "[ . 1 . 2]" 1
1003 1 7 ALA H 1 40 ILE MG 1.800 . 3.800 1.833 1.730 2.280 0.070 11 0 "[ . 1 . 2]" 1
1004 1 7 ALA H 1 40 ILE MD 1.800 . 6.000 3.528 3.295 3.882 . 0 0 "[ . 1 . 2]" 1
1005 1 7 ALA MB 1 40 ILE MG 1.800 . 4.800 1.763 1.714 1.837 0.086 8 0 "[ . 1 . 2]" 1
1006 1 7 ALA MB 1 40 ILE MD 1.800 . 7.000 1.754 1.674 1.799 0.126 14 0 "[ . 1 . 2]" 1
1007 1 7 ALA MB 1 40 ILE HB 1.800 . 6.000 2.754 2.413 3.111 . 0 0 "[ . 1 . 2]" 1
1008 1 7 ALA MB 1 40 ILE HA 1.800 . 4.300 4.446 4.407 4.494 0.194 5 0 "[ . 1 . 2]" 1
1009 1 7 ALA H 1 50 VAL MG1 1.800 . 6.000 5.098 4.620 6.065 0.065 15 0 "[ . 1 . 2]" 1
1010 1 7 ALA HA 1 82 LEU QD 1.800 . 7.000 4.246 3.342 4.900 . 0 0 "[ . 1 . 2]" 1
1011 1 7 ALA HA 1 83 TRP H 1.800 . 5.000 2.395 2.113 2.859 . 0 0 "[ . 1 . 2]" 1
1012 1 7 ALA MB 1 83 TRP H 1.800 . 6.000 3.748 3.368 4.252 . 0 0 "[ . 1 . 2]" 1
1013 1 7 ALA HA 1 83 TRP HB3 1.800 . 5.000 3.905 3.583 4.256 . 0 0 "[ . 1 . 2]" 1
1014 1 7 ALA HA 1 83 TRP HB2 1.800 . 5.000 2.283 1.986 2.698 . 0 0 "[ . 1 . 2]" 1
1015 1 7 ALA MB 1 83 TRP HB3 1.800 . 6.000 3.653 3.095 4.261 . 0 0 "[ . 1 . 2]" 1
1016 1 7 ALA MB 1 83 TRP HB2 1.800 . 6.000 2.417 1.883 3.002 . 0 0 "[ . 1 . 2]" 1
1017 1 8 VAL H 1 50 VAL MG1 1.800 . 6.000 4.676 3.822 5.806 . 0 0 "[ . 1 . 2]" 1
1018 1 8 VAL MG1 1 82 LEU MD1 1.800 . 4.300 3.529 2.268 4.315 0.015 13 0 "[ . 1 . 2]" 1
1019 1 8 VAL MG1 1 83 TRP H 1.800 . 6.000 3.522 3.156 3.897 . 0 0 "[ . 1 . 2]" 1
1020 1 8 VAL H 1 83 TRP HB3 1.800 . 5.500 4.341 3.996 4.794 . 0 0 "[ . 1 . 2]" 1
1021 1 8 VAL H 1 83 TRP HB2 1.800 . 5.500 3.380 3.080 3.853 . 0 0 "[ . 1 . 2]" 1
1022 1 8 VAL H 1 84 PHE QB 1.800 . 6.000 5.186 4.970 5.461 . 0 0 "[ . 1 . 2]" 1
1023 1 8 VAL MG1 1 84 PHE QD 1.800 . 7.100 2.790 1.953 4.162 . 0 0 "[ . 1 . 2]" 1
1024 1 8 VAL MG1 1 84 PHE QE 1.800 . 7.100 2.610 1.820 4.251 . 0 0 "[ . 1 . 2]" 1
1025 1 8 VAL MG1 1 37 GLY HA3 1.800 . 4.300 3.810 3.430 4.242 . 0 0 "[ . 1 . 2]" 1
1026 1 8 VAL MG1 1 37 GLY HA2 1.800 . 6.000 5.120 4.721 5.633 . 0 0 "[ . 1 . 2]" 1
1027 1 8 VAL MG2 1 37 GLY HA3 1.800 . 6.000 4.429 4.056 4.674 . 0 0 "[ . 1 . 2]" 1
1028 1 8 VAL MG2 1 37 GLY HA2 1.800 . 6.000 5.835 5.437 6.038 0.038 16 0 "[ . 1 . 2]" 1
1029 1 8 VAL H 1 85 TRP H 1.800 . 5.000 3.775 3.406 4.169 . 0 0 "[ . 1 . 2]" 1
1030 1 8 VAL H 1 85 TRP HD1 1.800 . 5.000 3.176 2.724 3.775 . 0 0 "[ . 1 . 2]" 1
1031 1 8 VAL MG1 1 85 TRP H 1.800 . 6.000 4.485 3.698 5.088 . 0 0 "[ . 1 . 2]" 1
1032 1 10 ILE MD 1 18 ILE MD 1.800 . 5.300 3.005 1.933 4.515 . 0 0 "[ . 1 . 2]" 1
1033 1 10 ILE HB 1 18 ILE MD 1.800 . 4.300 2.639 1.806 4.308 0.008 18 0 "[ . 1 . 2]" 1
1034 1 10 ILE MD 1 20 ILE MG 1.800 . 5.300 4.225 2.018 5.328 0.028 13 0 "[ . 1 . 2]" 1
1035 1 10 ILE MG 1 20 ILE MG 1.800 . 5.300 3.026 2.097 5.327 0.027 18 0 "[ . 1 . 2]" 1
1036 1 10 ILE H 1 85 TRP H 1.800 . 5.000 3.931 3.506 4.335 . 0 0 "[ . 1 . 2]" 1
1037 1 10 ILE H 1 86 LEU HA 1.800 . 5.000 3.811 3.730 3.971 . 0 0 "[ . 1 . 2]" 1
1038 1 10 ILE H 1 86 LEU QB 1.800 . 5.500 5.530 5.511 5.553 0.053 15 0 "[ . 1 . 2]" 1
1039 1 10 ILE H 1 87 VAL H 1.800 . 5.000 4.024 3.557 4.467 . 0 0 "[ . 1 . 2]" 1
1040 1 10 ILE H 1 87 VAL MG2 1.800 . 6.000 3.106 2.852 3.332 . 0 0 "[ . 1 . 2]" 1
1041 1 10 ILE HA 1 20 ILE HA 1.800 . 5.000 4.997 4.683 5.070 0.070 13 0 "[ . 1 . 2]" 1
1042 1 10 ILE HB 1 87 VAL H 1.800 . 5.000 3.584 3.112 4.235 . 0 0 "[ . 1 . 2]" 1
1043 1 10 ILE MD 1 87 VAL H 1.800 . 6.000 4.068 2.262 4.655 . 0 0 "[ . 1 . 2]" 1
1044 1 11 ILE MG 1 20 ILE MG 1.800 . 7.000 6.561 4.979 7.037 0.037 7 0 "[ . 1 . 2]" 1
1045 1 11 ILE MG 1 19 PHE H 1.800 . 6.000 4.220 2.398 5.026 . 0 0 "[ . 1 . 2]" 1
1046 1 11 ILE MD 1 63 GLN QB 1.800 . 6.000 5.950 5.614 6.112 0.112 10 0 "[ . 1 . 2]" 1
1047 1 11 ILE MD 1 87 VAL QG 1.800 . 6.000 2.108 1.793 3.061 0.007 11 0 "[ . 1 . 2]" 1
1048 1 11 ILE MD 1 19 PHE H 1.800 . 6.000 4.660 2.548 5.241 . 0 0 "[ . 1 . 2]" 1
1049 1 11 ILE HB 1 19 PHE H 1.800 . 5.000 3.357 2.774 5.025 0.025 10 0 "[ . 1 . 2]" 1
1050 1 11 ILE H 1 19 PHE QB 1.800 . 5.500 4.975 4.402 5.512 0.012 4 0 "[ . 1 . 2]" 1
1051 1 11 ILE HA 1 87 VAL H 1.800 . 5.000 4.326 4.091 4.551 . 0 0 "[ . 1 . 2]" 1
1052 1 11 ILE HA 1 87 VAL MG2 1.800 . 6.000 2.338 2.031 2.529 . 0 0 "[ . 1 . 2]" 1
1053 1 11 ILE MD 1 90 TRP HE3 1.800 . 6.000 1.947 1.798 2.696 0.002 8 0 "[ . 1 . 2]" 1
1054 1 11 ILE MD 1 95 TRP HA 1.800 . 6.000 6.053 6.008 6.142 0.142 19 0 "[ . 1 . 2]" 1
1055 1 12 ARG HG3 1 16 ASN HA 1.800 . 5.300 5.330 5.300 5.346 0.046 16 0 "[ . 1 . 2]" 1
1056 1 12 ARG HG2 1 16 ASN HA 1.800 . 5.300 4.679 4.273 5.122 . 0 0 "[ . 1 . 2]" 1
1057 1 12 ARG HA 1 18 ILE HA 1.800 . 3.800 2.612 1.823 3.388 . 0 0 "[ . 1 . 2]" 1
1058 1 12 ARG H 1 87 VAL H 1.800 . 5.000 4.388 4.242 4.531 . 0 0 "[ . 1 . 2]" 1
1059 1 12 ARG H 1 87 VAL MG2 1.800 . 5.000 3.587 3.433 3.854 . 0 0 "[ . 1 . 2]" 1
1060 1 12 ARG H 1 88 GLU HA 1.800 . 5.000 4.140 3.880 4.387 . 0 0 "[ . 1 . 2]" 1
1061 1 12 ARG H 1 90 TRP HE3 1.800 . 5.000 3.119 2.943 3.315 . 0 0 "[ . 1 . 2]" 1
1062 1 13 ASN H 1 90 TRP HE3 1.800 . 5.000 2.559 2.312 3.052 . 0 0 "[ . 1 . 2]" 1
1063 1 13 ASN H 1 18 ILE HA 1.800 . 5.000 2.811 2.481 3.305 . 0 0 "[ . 1 . 2]" 1
1064 1 13 ASN H 1 18 ILE HB 1.800 . 5.000 5.081 5.030 5.120 0.120 20 0 "[ . 1 . 2]" 1
1065 1 13 ASN H 1 18 ILE MD 1.800 . 6.000 4.315 2.559 4.923 . 0 0 "[ . 1 . 2]" 1
1066 1 13 ASN H 1 18 ILE MG 1.800 . 6.000 4.840 4.355 5.722 . 0 0 "[ . 1 . 2]" 1
1067 1 14 GLU HB3 1 104 TRP QB 1.800 . 6.000 6.087 6.064 6.124 0.124 20 0 "[ . 1 . 2]" 1
1068 1 17 GLU QB 1 105 MET H 1.800 . 5.500 3.423 2.757 3.853 . 0 0 "[ . 1 . 2]" 1
1069 1 17 GLU QG 1 105 MET H 1.800 . 5.500 4.830 4.117 5.509 0.009 19 0 "[ . 1 . 2]" 1
1070 1 17 GLU HA 1 106 SER HA 1.800 . 3.300 2.320 1.959 2.720 . 0 0 "[ . 1 . 2]" 1
1071 1 17 GLU HA 1 107 LEU H 1.800 . 5.000 2.384 2.143 2.763 . 0 0 "[ . 1 . 2]" 1
1072 1 17 GLU HB3 1 107 LEU H 1.800 . 5.000 3.981 3.626 4.712 . 0 0 "[ . 1 . 2]" 1
1073 1 17 GLU HB2 1 107 LEU H 1.800 . 5.000 4.471 3.623 5.049 0.049 10 0 "[ . 1 . 2]" 1
1074 1 17 GLU HB3 1 106 SER H 1.800 . 5.500 3.955 3.494 4.643 . 0 0 "[ . 1 . 2]" 1
1075 1 17 GLU HB2 1 106 SER H 1.800 . 5.500 4.427 3.337 5.430 . 0 0 "[ . 1 . 2]" 1
1076 1 17 GLU QB 1 106 SER HA 1.800 . 4.300 2.453 2.024 2.962 . 0 0 "[ . 1 . 2]" 1
1077 1 17 GLU QG 1 106 SER HA 1.800 . 5.500 3.352 1.859 4.882 . 0 0 "[ . 1 . 2]" 1
1078 1 18 ILE H 1 105 MET H 1.800 . 5.000 3.652 2.889 3.997 . 0 0 "[ . 1 . 2]" 1
1079 1 18 ILE H 1 105 MET HA 1.800 . 5.000 4.924 4.350 5.035 0.035 15 0 "[ . 1 . 2]" 1
1080 1 18 ILE H 1 106 SER HA 1.800 . 5.000 3.167 2.878 3.632 . 0 0 "[ . 1 . 2]" 1
1081 1 18 ILE H 1 90 TRP HH2 1.800 . 6.000 5.437 4.547 6.029 0.029 2 0 "[ . 1 . 2]" 1
1082 1 18 ILE HA 1 90 TRP HH2 1.800 . 6.000 3.687 2.946 4.456 . 0 0 "[ . 1 . 2]" 1
1083 1 18 ILE MG 1 90 TRP HZ3 1.800 . 6.000 4.081 3.404 5.224 . 0 0 "[ . 1 . 2]" 1
1084 1 19 PHE QB 1 94 PRO HB3 1.800 . 5.000 4.992 4.781 5.045 0.045 11 0 "[ . 1 . 2]" 1
1085 1 19 PHE QB 1 94 PRO HB2 1.800 . 5.000 4.687 4.244 5.009 0.009 9 0 "[ . 1 . 2]" 1
1086 1 19 PHE QE 1 96 GLY H 1.800 . 7.100 6.952 6.070 7.125 0.025 11 0 "[ . 1 . 2]" 1
1087 1 19 PHE QE 1 95 TRP H 1.800 . 7.100 5.477 4.672 5.864 . 0 0 "[ . 1 . 2]" 1
1088 1 19 PHE QE 1 102 GLY HA2 1.800 . 5.400 3.556 3.368 3.813 . 0 0 "[ . 1 . 2]" 1
1089 1 19 PHE QB 1 103 GLU H 1.800 . 5.500 4.196 3.229 5.522 0.022 11 0 "[ . 1 . 2]" 1
1090 1 19 PHE QE 1 103 GLU H 1.800 . 7.100 4.029 3.426 4.430 . 0 0 "[ . 1 . 2]" 1
1091 1 19 PHE QD 1 104 TRP HE1 1.800 . 7.100 4.798 3.463 5.647 . 0 0 "[ . 1 . 2]" 1
1092 1 19 PHE HA 1 104 TRP HA 1.800 . 5.000 2.642 2.017 2.938 . 0 0 "[ . 1 . 2]" 1
1093 1 19 PHE H 1 104 TRP HD1 1.800 . 5.000 4.929 3.928 5.048 0.048 20 0 "[ . 1 . 2]" 1
1094 1 20 ILE H 1 105 MET H 1.800 . 5.000 3.885 3.382 4.307 . 0 0 "[ . 1 . 2]" 1
1095 1 20 ILE MD 1 105 MET QB 1.800 . 6.500 3.512 2.262 4.474 . 0 0 "[ . 1 . 2]" 1
1096 1 20 ILE QG 1 105 MET QB 1.800 . 5.500 3.748 2.798 4.772 . 0 0 "[ . 1 . 2]" 1
1097 1 20 ILE H 1 104 TRP HA 1.800 . 5.000 4.548 3.905 4.882 . 0 0 "[ . 1 . 2]" 1
1098 1 20 ILE MG 1 33 LEU MD2 1.800 . 6.000 2.627 2.012 2.932 . 0 0 "[ . 1 . 2]" 1
1099 1 20 ILE MG 1 33 LEU MD1 1.800 . 7.000 3.765 3.006 4.328 . 0 0 "[ . 1 . 2]" 1
1100 1 20 ILE HB 1 34 GLU HA 1.800 . 5.000 5.012 4.883 5.044 0.044 12 0 "[ . 1 . 2]" 1
1101 1 20 ILE HB 1 34 GLU H 1.800 . 5.000 4.809 4.424 5.018 0.018 11 0 "[ . 1 . 2]" 1
1102 1 20 ILE MD 1 34 GLU HA 1.800 . 6.000 5.580 4.827 6.032 0.032 18 0 "[ . 1 . 2]" 1
1103 1 20 ILE QG 1 33 LEU MD1 1.800 . 7.000 3.487 2.854 4.417 . 0 0 "[ . 1 . 2]" 1
1104 1 20 ILE QG 1 33 LEU MD2 1.800 . 7.000 3.172 2.439 3.610 . 0 0 "[ . 1 . 2]" 1
1105 1 20 ILE MD 1 103 GLU H 1.800 . 6.000 5.513 3.751 6.019 0.019 12 0 "[ . 1 . 2]" 1
1106 1 21 THR H 1 34 GLU H 1.800 . 5.000 4.827 4.395 5.028 0.028 13 0 "[ . 1 . 2]" 1
1107 1 21 THR MG 1 34 GLU H 1.800 . 6.000 5.156 3.523 5.827 . 0 0 "[ . 1 . 2]" 1
1108 1 21 THR HA 1 102 GLY HA3 1.800 . 5.000 2.743 1.961 3.237 . 0 0 "[ . 1 . 2]" 1
1109 1 21 THR HA 1 102 GLY HA2 1.800 . 5.000 3.069 2.352 3.565 . 0 0 "[ . 1 . 2]" 1
1110 1 21 THR MG 1 102 GLY HA3 1.800 . 6.000 3.591 2.456 5.069 . 0 0 "[ . 1 . 2]" 1
1111 1 21 THR MG 1 102 GLY HA2 1.800 . 6.000 4.560 3.441 5.960 . 0 0 "[ . 1 . 2]" 1
1112 1 21 THR HB 1 102 GLY HA3 1.800 . 5.000 4.464 2.709 4.982 . 0 0 "[ . 1 . 2]" 1
1113 1 21 THR HB 1 102 GLY HA2 1.800 . 5.000 4.905 3.334 5.040 0.040 19 0 "[ . 1 . 2]" 1
1114 1 22 ARG H 1 33 LEU HA 1.800 . 5.000 4.764 4.435 5.005 0.005 7 0 "[ . 1 . 2]" 1
1115 1 22 ARG HA 1 33 LEU HA 1.800 . 5.000 1.979 1.890 2.159 . 0 0 "[ . 1 . 2]" 1
1116 1 22 ARG HA 1 33 LEU MD2 1.800 . 6.000 2.250 1.883 3.200 . 0 0 "[ . 1 . 2]" 1
1117 1 22 ARG QD 1 114 ASP HB3 1.800 . 6.000 5.163 2.976 6.002 0.002 5 0 "[ . 1 . 2]" 1
1118 1 22 ARG QD 1 114 ASP HB2 1.800 . 6.000 5.057 2.934 6.013 0.013 1 0 "[ . 1 . 2]" 1
1119 1 23 ARG H 1 33 LEU HA 1.800 . 5.000 2.847 2.463 3.310 . 0 0 "[ . 1 . 2]" 1
1120 1 23 ARG H 1 33 LEU HB3 1.800 . 5.500 5.527 5.461 5.560 0.060 13 0 "[ . 1 . 2]" 1
1121 1 23 ARG H 1 33 LEU HB2 1.800 . 5.500 4.477 4.052 5.070 . 0 0 "[ . 1 . 2]" 1
1122 1 23 ARG H 1 33 LEU MD1 1.800 . 6.500 5.491 4.781 5.945 . 0 0 "[ . 1 . 2]" 1
1123 1 23 ARG H 1 33 LEU MD2 1.800 . 6.500 4.025 3.256 5.079 . 0 0 "[ . 1 . 2]" 1
1124 1 23 ARG HB3 1 24 ALA MB 1.800 . 5.000 4.224 3.911 4.567 . 0 0 "[ . 1 . 2]" 1
1125 1 23 ARG HB2 1 24 ALA MB 1.800 . 5.000 4.967 4.695 5.121 0.121 10 0 "[ . 1 . 2]" 1
1126 1 24 ALA MB 1 101 PRO HG3 1.800 . 6.000 5.483 4.470 6.012 0.012 18 0 "[ . 1 . 2]" 1
1127 1 24 ALA MB 1 101 PRO HG2 1.800 . 6.000 4.315 3.168 5.201 . 0 0 "[ . 1 . 2]" 1
1128 1 30 ALA MB 1 114 ASP HB3 1.800 . 6.500 5.437 4.705 5.899 . 0 0 "[ . 1 . 2]" 1
1129 1 30 ALA MB 1 114 ASP HB2 1.800 . 6.500 6.171 5.484 6.511 0.011 12 0 "[ . 1 . 2]" 1
1130 1 32 LYS QB 1 115 PHE QB 1.800 . 6.000 6.043 6.006 6.066 0.066 5 0 "[ . 1 . 2]" 1
1131 1 32 LYS QG 1 115 PHE QB 1.800 . 6.000 6.005 5.760 6.081 0.081 12 0 "[ . 1 . 2]" 1
1132 1 33 LEU QB 1 107 LEU QD 1.800 . 6.500 6.456 6.142 6.543 0.043 20 0 "[ . 1 . 2]" 1
1133 1 33 LEU QD 1 110 LEU QD 1.800 . 8.000 3.254 2.945 3.587 . 0 0 "[ . 1 . 2]" 1
1134 1 33 LEU H 1 115 PHE HA 1.800 . 5.000 2.383 2.143 2.703 . 0 0 "[ . 1 . 2]" 1
1135 1 33 LEU H 1 115 PHE QB 1.800 . 5.500 4.160 3.983 4.446 . 0 0 "[ . 1 . 2]" 1
1136 1 33 LEU HB3 1 115 PHE H 1.800 . 5.000 3.595 3.195 3.971 . 0 0 "[ . 1 . 2]" 1
1137 1 33 LEU HB2 1 115 PHE H 1.800 . 5.000 4.341 3.908 5.003 0.003 6 0 "[ . 1 . 2]" 1
1138 1 33 LEU QD 1 115 PHE H 1.800 . 6.000 3.922 3.558 4.419 . 0 0 "[ . 1 . 2]" 1
1139 1 33 LEU H 1 114 ASP HA 1.800 . 5.000 4.359 4.055 4.672 . 0 0 "[ . 1 . 2]" 1
1140 1 33 LEU H 1 114 ASP QB 1.800 . 5.000 3.966 3.653 4.104 . 0 0 "[ . 1 . 2]" 1
1141 1 33 LEU QB 1 114 ASP H 1.800 . 5.000 4.869 4.552 5.025 0.025 20 0 "[ . 1 . 2]" 1
1142 1 33 LEU QD 1 114 ASP H 1.800 . 5.000 4.700 4.289 4.989 . 0 0 "[ . 1 . 2]" 1
1143 1 33 LEU HG 1 114 ASP HB3 1.800 . 5.000 5.018 5.000 5.033 0.033 14 0 "[ . 1 . 2]" 1
1144 1 33 LEU HG 1 114 ASP HB2 1.800 . 5.000 3.953 3.761 4.111 . 0 0 "[ . 1 . 2]" 1
1145 1 34 GLU HA 1 115 PHE HA 1.800 . 5.000 4.622 4.264 5.018 0.018 16 0 "[ . 1 . 2]" 1
1146 1 35 PHE QD 1 84 PHE QD 1.800 . 7.500 5.026 4.461 5.418 . 0 0 "[ . 1 . 2]" 1
1147 1 35 PHE QD 1 123 ILE MD 1.800 . 6.400 4.531 3.990 4.972 . 0 0 "[ . 1 . 2]" 1
1148 1 35 PHE QE 1 123 ILE MD 1.800 . 5.000 2.644 1.907 3.167 . 0 0 "[ . 1 . 2]" 1
1149 1 36 PRO HB3 1 54 LEU MD1 1.800 . 6.000 6.020 5.954 6.064 0.064 14 0 "[ . 1 . 2]" 1
1150 1 36 PRO HB2 1 54 LEU MD1 1.800 . 6.000 4.571 4.524 4.692 . 0 0 "[ . 1 . 2]" 1
1151 1 36 PRO HB3 1 98 GLU HB3 1.800 . 5.000 2.696 2.089 4.199 . 0 0 "[ . 1 . 2]" 1
1152 1 36 PRO HB2 1 98 GLU HB3 1.800 . 5.000 3.826 3.398 5.076 0.076 14 0 "[ . 1 . 2]" 1
1153 1 36 PRO HB3 1 98 GLU HB2 1.800 . 5.000 3.684 3.496 4.138 . 0 0 "[ . 1 . 2]" 1
1154 1 36 PRO HB2 1 98 GLU HB2 1.800 . 5.000 4.971 4.423 5.043 0.043 13 0 "[ . 1 . 2]" 1
1155 1 38 GLY H 1 98 GLU QB 1.800 . 5.500 4.700 3.861 5.190 . 0 0 "[ . 1 . 2]" 1
1156 1 38 GLY HA3 1 98 GLU HA 1.800 . 5.500 5.545 5.521 5.569 0.069 17 0 "[ . 1 . 2]" 1
1157 1 42 MET QB 1 52 ARG QB 1.800 . 6.000 5.873 5.531 6.024 0.024 17 0 "[ . 1 . 2]" 1
1158 1 42 MET QB 1 49 ALA HA 1.800 . 5.500 5.329 4.599 5.538 0.038 16 0 "[ . 1 . 2]" 1
1159 1 40 ILE MD 1 45 THR H 1.800 . 6.000 5.796 5.293 6.022 0.022 13 0 "[ . 1 . 2]" 1
1160 1 45 THR MG 1 47 GLU H 1.800 . 6.000 3.468 3.364 3.631 . 0 0 "[ . 1 . 2]" 1
1161 1 45 THR H 1 48 GLN H 1.800 . 3.300 3.363 3.332 3.408 0.108 6 0 "[ . 1 . 2]" 1
1162 1 45 THR HB 1 48 GLN H 1.800 . 5.000 2.485 2.215 3.049 . 0 0 "[ . 1 . 2]" 1
1163 1 45 THR MG 1 48 GLN H 1.800 . 6.000 4.117 3.902 4.572 . 0 0 "[ . 1 . 2]" 1
1164 1 45 THR HA 1 49 ALA H 1.800 . 5.000 4.636 4.390 4.852 . 0 0 "[ . 1 . 2]" 1
1165 1 40 ILE MD 1 49 ALA H 1.800 . 6.000 4.013 3.855 4.325 . 0 0 "[ . 1 . 2]" 1
1166 1 40 ILE MD 1 49 ALA HA 1.800 . 6.000 3.606 3.505 3.702 . 0 0 "[ . 1 . 2]" 1
1167 1 9 GLY HA2 1 50 VAL MG2 1.800 . 6.000 5.935 5.543 6.043 0.043 2 0 "[ . 1 . 2]" 1
1168 1 40 ILE HB 1 50 VAL MG2 1.800 . 6.000 5.090 4.211 5.586 . 0 0 "[ . 1 . 2]" 1
1169 1 40 ILE MG 1 50 VAL MG2 1.800 . 4.800 4.479 3.254 4.803 0.003 9 0 "[ . 1 . 2]" 1
1170 1 50 VAL MG2 1 54 LEU MD2 1.800 . 7.000 2.907 2.283 4.385 . 0 0 "[ . 1 . 2]" 1
1171 1 50 VAL MG2 1 85 TRP QB 1.800 . 4.800 3.613 3.234 3.915 . 0 0 "[ . 1 . 2]" 1
1172 1 50 VAL MG2 1 85 TRP HD1 1.800 . 4.800 4.072 3.262 4.605 . 0 0 "[ . 1 . 2]" 1
1173 1 50 VAL MG1 1 85 TRP HE3 1.800 . 4.800 4.755 4.287 4.840 0.040 15 0 "[ . 1 . 2]" 1
1174 1 50 VAL MG1 1 85 TRP H 1.800 . 6.000 5.386 4.453 6.040 0.040 11 0 "[ . 1 . 2]" 1
1175 1 50 VAL MG2 1 65 PHE QD 1.800 . 5.400 4.723 3.539 5.404 0.004 6 0 "[ . 1 . 2]" 1
1176 1 50 VAL MG1 1 85 TRP HD1 1.800 . 7.100 3.412 2.611 4.231 . 0 0 "[ . 1 . 2]" 1
1177 1 7 ALA MB 1 50 VAL MG1 1.800 . 4.800 2.133 1.774 2.938 0.026 4 0 "[ . 1 . 2]" 1
1178 1 48 GLN HA 1 51 VAL MG1 1.800 . 6.000 3.702 3.581 3.764 . 0 0 "[ . 1 . 2]" 1
1179 1 51 VAL MG1 1 65 PHE QE 1.800 . 6.900 3.492 3.046 4.611 . 0 0 "[ . 1 . 2]" 1
1180 1 51 VAL MG2 1 65 PHE QE 1.800 . 6.900 2.463 1.886 3.586 . 0 0 "[ . 1 . 2]" 1
1181 1 51 VAL MG1 1 65 PHE HZ 1.800 . 4.800 4.813 4.802 4.818 0.018 16 0 "[ . 1 . 2]" 1
1182 1 51 VAL MG2 1 65 PHE HZ 1.800 . 4.800 3.779 3.208 4.052 . 0 0 "[ . 1 . 2]" 1
1183 1 54 LEU MD2 1 60 ILE MD 1.800 . 7.000 6.854 5.921 7.062 0.062 16 0 "[ . 1 . 2]" 1
1184 1 54 LEU MD2 1 65 PHE HB3 1.800 . 6.000 6.028 5.982 6.059 0.059 16 0 "[ . 1 . 2]" 1
1185 1 54 LEU MD2 1 65 PHE HB2 1.800 . 6.000 4.966 4.644 5.056 . 0 0 "[ . 1 . 2]" 1
1186 1 54 LEU MD2 1 65 PHE QD 1.800 . 5.400 3.980 3.556 4.937 . 0 0 "[ . 1 . 2]" 1
1187 1 54 LEU MD1 1 65 PHE QD 1.800 . 7.100 5.700 4.219 6.362 . 0 0 "[ . 1 . 2]" 1
1188 1 55 GLN HA 1 60 ILE H 1.800 . 5.000 4.989 4.798 5.047 0.047 10 0 "[ . 1 . 2]" 1
1189 1 58 VAL QG 1 93 GLU QG 1.800 . 7.500 6.842 5.375 7.421 . 0 0 "[ . 1 . 2]" 1
1190 1 58 VAL H 1 95 TRP HE3 1.800 . 5.500 5.666 5.651 5.676 0.176 3 0 "[ . 1 . 2]" 1
1191 1 58 VAL MG1 1 95 TRP H 1.800 . 7.000 3.358 2.992 4.241 . 0 0 "[ . 1 . 2]" 1
1192 1 58 VAL MG2 1 95 TRP H 1.800 . 7.000 4.886 3.997 5.103 . 0 0 "[ . 1 . 2]" 1
1193 1 59 GLY HA3 1 95 TRP HE1 1.800 . 5.000 3.848 3.788 3.892 . 0 0 "[ . 1 . 2]" 1
1194 1 59 GLY HA2 1 95 TRP HE1 1.800 . 5.000 4.992 4.906 5.011 0.011 19 0 "[ . 1 . 2]" 1
1195 1 60 ILE HB 1 90 TRP HD1 1.800 . 5.000 4.442 4.114 5.005 0.005 10 0 "[ . 1 . 2]" 1
1196 1 60 ILE MD 1 91 GLU H 1.800 . 6.000 3.391 3.008 4.380 . 0 0 "[ . 1 . 2]" 1
1197 1 60 ILE HB 1 91 GLU H 1.800 . 5.000 4.046 3.781 5.090 0.090 20 0 "[ . 1 . 2]" 1
1198 1 60 ILE MG 1 93 GLU H 1.800 . 6.000 2.817 2.377 4.424 . 0 0 "[ . 1 . 2]" 1
1199 1 60 ILE MG 1 93 GLU HG3 1.800 . 6.000 5.524 4.841 6.027 0.027 20 0 "[ . 1 . 2]" 1
1200 1 60 ILE MG 1 93 GLU HG2 1.800 . 6.000 5.760 5.163 6.054 0.054 20 0 "[ . 1 . 2]" 1
1201 1 60 ILE MG 1 93 GLU HA 1.800 . 6.000 4.404 4.091 4.650 . 0 0 "[ . 1 . 2]" 1
1202 1 60 ILE HB 1 93 GLU H 1.800 . 5.000 4.827 4.292 5.012 0.012 3 0 "[ . 1 . 2]" 1
1203 1 60 ILE MD 1 95 TRP H 1.800 . 6.000 3.684 2.857 5.687 . 0 0 "[ . 1 . 2]" 1
1204 1 61 THR MG 1 95 TRP HE1 1.800 . 6.000 6.094 6.081 6.120 0.120 10 0 "[ . 1 . 2]" 1
1205 1 61 THR H 1 91 GLU H 1.800 . 5.000 4.192 3.715 4.304 . 0 0 "[ . 1 . 2]" 1
1206 1 61 THR MG 1 91 GLU H 1.800 . 6.000 5.870 5.704 5.940 . 0 0 "[ . 1 . 2]" 1
1207 1 61 THR HB 1 91 GLU H 1.800 . 5.000 5.084 5.061 5.119 0.119 10 0 "[ . 1 . 2]" 1
1208 1 61 THR HB 1 91 GLU QG 1.800 . 5.500 4.647 3.671 5.503 0.003 14 0 "[ . 1 . 2]" 1
1209 1 61 THR HB 1 91 GLU QB 1.800 . 5.500 3.917 3.827 4.077 . 0 0 "[ . 1 . 2]" 1
1210 1 62 PRO HA 1 90 TRP HA 1.800 . 5.000 1.849 1.767 1.937 0.033 20 0 "[ . 1 . 2]" 1
1211 1 62 PRO HA 1 90 TRP HB3 1.800 . 5.000 4.267 4.087 4.452 . 0 0 "[ . 1 . 2]" 1
1212 1 62 PRO HA 1 90 TRP HB2 1.800 . 5.000 3.694 3.516 3.800 . 0 0 "[ . 1 . 2]" 1
1213 1 62 PRO QB 1 90 TRP QB 1.800 . 5.000 1.771 1.737 1.884 0.063 13 0 "[ . 1 . 2]" 1
1214 1 62 PRO QG 1 90 TRP QB 1.800 . 5.000 3.211 3.083 3.337 . 0 0 "[ . 1 . 2]" 1
1215 1 62 PRO HA 1 91 GLU H 1.800 . 5.000 2.150 1.906 2.651 . 0 0 "[ . 1 . 2]" 1
1216 1 63 GLN QG 1 90 TRP HA 1.800 . 5.500 4.712 4.428 5.246 . 0 0 "[ . 1 . 2]" 1
1217 1 63 GLN H 1 90 TRP HA 1.800 . 5.000 2.910 2.486 3.235 . 0 0 "[ . 1 . 2]" 1
1218 1 63 GLN H 1 91 GLU H 1.800 . 5.000 3.992 3.697 4.627 . 0 0 "[ . 1 . 2]" 1
1219 1 63 GLN HA 1 89 ARG H 1.800 . 5.000 4.813 4.374 5.037 0.037 13 0 "[ . 1 . 2]" 1
1220 1 63 GLN QB 1 89 ARG H 1.800 . 5.000 3.222 2.643 4.078 . 0 0 "[ . 1 . 2]" 1
1221 1 63 GLN QG 1 89 ARG H 1.800 . 5.500 4.646 2.286 5.483 . 0 0 "[ . 1 . 2]" 1
1222 1 64 HIS QB 1 89 ARG QG 1.800 . 5.500 5.461 5.112 5.553 0.053 9 0 "[ . 1 . 2]" 1
1223 1 64 HIS H 1 89 ARG H 1.800 . 5.000 4.632 4.360 4.747 . 0 0 "[ . 1 . 2]" 1
1224 1 64 HIS HB3 1 89 ARG H 1.800 . 5.000 5.107 5.063 5.173 0.173 15 0 "[ . 1 . 2]" 1
1225 1 64 HIS HB3 1 88 GLU H 1.800 . 5.000 5.077 5.016 5.127 0.127 12 0 "[ . 1 . 2]" 1
1226 1 64 HIS HB2 1 88 GLU H 1.800 . 5.000 3.943 3.917 3.974 . 0 0 "[ . 1 . 2]" 1
1227 1 65 PHE QD 1 85 TRP HE3 1.800 . 5.400 4.033 2.372 5.216 . 0 0 "[ . 1 . 2]" 1
1228 1 65 PHE QD 1 85 TRP HZ3 1.800 . 7.100 3.810 2.745 4.944 . 0 0 "[ . 1 . 2]" 1
1229 1 65 PHE QE 1 85 TRP HE3 1.800 . 7.100 4.808 3.360 5.736 . 0 0 "[ . 1 . 2]" 1
1230 1 65 PHE QB 1 88 GLU H 1.800 . 5.000 5.099 5.032 5.152 0.152 15 0 "[ . 1 . 2]" 1
1231 1 65 PHE HA 1 87 VAL HA 1.800 . 5.000 4.676 4.504 4.871 . 0 0 "[ . 1 . 2]" 1
1232 1 65 PHE HB3 1 87 VAL HA 1.800 . 5.500 5.359 5.177 5.456 . 0 0 "[ . 1 . 2]" 1
1233 1 65 PHE HB2 1 87 VAL HA 1.800 . 5.500 5.416 5.250 5.512 0.012 3 0 "[ . 1 . 2]" 1
1234 1 65 PHE HB3 1 87 VAL MG2 1.800 . 6.000 6.161 6.037 6.214 0.214 5 0 "[ . 1 . 2]" 1
1235 1 65 PHE HB2 1 87 VAL MG2 1.800 . 6.000 5.895 5.829 5.969 . 0 0 "[ . 1 . 2]" 1
1236 1 66 SER H 1 86 LEU H 1.800 . 5.000 4.994 4.679 5.098 0.098 2 0 "[ . 1 . 2]" 1
1237 1 66 SER HA 1 86 LEU H 1.800 . 5.000 4.631 4.375 4.857 . 0 0 "[ . 1 . 2]" 1
1238 1 66 SER H 1 87 VAL MG2 1.800 . 6.000 5.989 5.847 6.137 0.137 6 0 "[ . 1 . 2]" 1
1239 1 67 LEU MD2 1 83 TRP HA 1.800 . 6.000 5.875 5.035 6.018 0.018 3 0 "[ . 1 . 2]" 1
1240 1 67 LEU MD2 1 84 PHE H 1.800 . 6.000 5.450 4.488 5.938 . 0 0 "[ . 1 . 2]" 1
1241 1 67 LEU H 1 85 TRP HE3 1.800 . 5.000 4.572 3.998 5.010 0.010 15 0 "[ . 1 . 2]" 1
1242 1 67 LEU HA 1 86 LEU H 1.800 . 5.000 2.044 1.762 2.778 0.038 17 0 "[ . 1 . 2]" 1
1243 1 68 PHE H 1 85 TRP HA 1.800 . 5.000 2.490 2.166 3.330 . 0 0 "[ . 1 . 2]" 1
1244 1 68 PHE QD 1 85 TRP HA 1.800 . 7.100 4.385 4.083 4.906 . 0 0 "[ . 1 . 2]" 1
1245 1 68 PHE H 1 86 LEU H 1.800 . 5.000 2.621 2.355 3.118 . 0 0 "[ . 1 . 2]" 1
1246 1 68 PHE H 1 86 LEU MD2 1.800 . 7.000 4.421 3.442 5.211 . 0 0 "[ . 1 . 2]" 1
1247 1 68 PHE QD 1 86 LEU MD2 1.800 . 7.100 4.414 2.632 4.997 . 0 0 "[ . 1 . 2]" 1
1248 1 68 PHE QE 1 86 LEU MD2 1.800 . 7.100 6.200 4.609 6.831 . 0 0 "[ . 1 . 2]" 1
1249 1 68 PHE QD 1 122 VAL MG1 1.800 . 5.000 3.761 3.576 4.048 . 0 0 "[ . 1 . 2]" 1
1250 1 68 PHE QE 1 122 VAL MG1 1.800 . 5.000 2.013 1.865 2.253 . 0 0 "[ . 1 . 2]" 1
1251 1 68 PHE QE 1 123 ILE MD 1.800 . 5.400 4.695 4.343 4.974 . 0 0 "[ . 1 . 2]" 1
1252 1 68 PHE HZ 1 126 LEU H 1.800 . 5.000 3.658 2.948 5.019 0.019 16 0 "[ . 1 . 2]" 1
1253 1 68 PHE HZ 1 126 LEU MD2 1.800 . 3.800 3.534 2.956 3.819 0.019 3 0 "[ . 1 . 2]" 1
1254 1 68 PHE HZ 1 126 LEU MD1 1.800 . 6.000 4.023 2.556 4.921 . 0 0 "[ . 1 . 2]" 1
1255 1 69 GLU H 1 84 PHE H 1.800 . 5.000 4.123 3.737 4.834 . 0 0 "[ . 1 . 2]" 1
1256 1 69 GLU H 1 85 TRP HA 1.800 . 5.000 3.970 3.663 4.820 . 0 0 "[ . 1 . 2]" 1
1257 1 69 GLU H 1 84 PHE HB3 1.800 . 3.800 3.542 3.259 3.827 0.027 17 0 "[ . 1 . 2]" 1
1258 1 69 GLU H 1 84 PHE HB2 1.800 . 3.800 3.251 2.778 3.817 0.017 16 0 "[ . 1 . 2]" 1
1259 1 70 LYS HA 1 84 PHE HA 1.800 . 5.000 5.045 5.014 5.073 0.073 2 0 "[ . 1 . 2]" 1
1260 1 71 LEU QD 1 80 ILE HB 1.800 . 7.000 6.740 6.155 7.015 0.015 15 0 "[ . 1 . 2]" 1
1261 1 71 LEU H 1 82 LEU QB 1.800 . 5.500 3.547 2.702 5.242 . 0 0 "[ . 1 . 2]" 1
1262 1 71 LEU H 1 82 LEU QD 1.800 . 7.000 4.259 2.966 5.148 . 0 0 "[ . 1 . 2]" 1
1263 1 71 LEU H 1 83 TRP HA 1.800 . 5.000 3.208 2.736 4.190 . 0 0 "[ . 1 . 2]" 1
1264 1 71 LEU QD 1 83 TRP H 1.800 . 7.000 5.490 3.909 6.525 . 0 0 "[ . 1 . 2]" 1
1265 1 71 LEU H 1 84 PHE H 1.800 . 5.000 3.742 3.521 4.244 . 0 0 "[ . 1 . 2]" 1
1266 1 71 LEU H 1 84 PHE QD 1.800 . 7.100 4.359 2.802 5.304 . 0 0 "[ . 1 . 2]" 1
1267 1 71 LEU MD1 1 84 PHE HZ 1.800 . 7.100 6.195 3.592 7.121 0.021 7 0 "[ . 1 . 2]" 1
1268 1 71 LEU MD2 1 84 PHE HZ 1.800 . 7.100 5.237 3.370 7.131 0.031 16 0 "[ . 1 . 2]" 1
1269 1 71 LEU MD1 1 84 PHE QE 1.800 . 6.400 5.413 3.104 6.407 0.007 7 0 "[ . 1 . 2]" 1
1270 1 71 LEU MD2 1 84 PHE QE 1.800 . 6.400 4.580 2.480 6.389 . 0 0 "[ . 1 . 2]" 1
1271 1 71 LEU QD 1 121 PRO QB 1.800 . 6.500 2.274 1.794 3.867 0.006 14 0 "[ . 1 . 2]" 1
1272 1 71 LEU QD 1 121 PRO QG 1.800 . 6.500 2.775 1.924 4.507 . 0 0 "[ . 1 . 2]" 1
1273 1 72 GLU HA 1 81 THR HA 1.800 . 2.800 2.727 2.494 2.813 0.013 15 0 "[ . 1 . 2]" 1
1274 1 72 GLU QG 1 81 THR MG 1.800 . 7.000 2.547 1.996 2.898 . 0 0 "[ . 1 . 2]" 1
1275 1 72 GLU QB 1 81 THR MG 1.800 . 7.000 2.627 1.899 3.057 . 0 0 "[ . 1 . 2]" 1
1276 1 72 GLU HA 1 81 THR MG 1.800 . 5.000 3.097 2.696 3.658 . 0 0 "[ . 1 . 2]" 1
1277 1 72 GLU H 1 82 LEU H 1.800 . 5.000 4.948 4.743 5.033 0.033 17 0 "[ . 1 . 2]" 1
1278 1 73 TYR H 1 80 ILE H 1.800 . 5.000 4.581 4.328 4.889 . 0 0 "[ . 1 . 2]" 1
1279 1 73 TYR H 1 80 ILE MD 1.800 . 6.000 5.537 4.424 6.003 0.003 8 0 "[ . 1 . 2]" 1
1280 1 73 TYR QB 1 80 ILE H 1.800 . 5.500 5.360 4.869 5.518 0.018 11 0 "[ . 1 . 2]" 1
1281 1 73 TYR QD 1 80 ILE MD 1.800 . 8.100 4.520 2.943 5.417 . 0 0 "[ . 1 . 2]" 1
1282 1 73 TYR H 1 81 THR HA 1.800 . 5.000 3.237 2.993 3.542 . 0 0 "[ . 1 . 2]" 1
1283 1 73 TYR H 1 81 THR MG 1.800 . 5.000 4.000 3.582 4.644 . 0 0 "[ . 1 . 2]" 1
1284 1 73 TYR QD 1 81 THR MG 1.800 . 8.100 5.548 4.867 7.450 . 0 0 "[ . 1 . 2]" 1
1285 1 73 TYR H 1 82 LEU H 1.800 . 5.000 3.752 3.410 4.362 . 0 0 "[ . 1 . 2]" 1
1286 1 74 GLU HB3 1 79 HIS H 1.800 . 5.000 5.018 5.012 5.031 0.031 11 0 "[ . 1 . 2]" 1
1287 1 74 GLU HB2 1 79 HIS H 1.800 . 5.000 4.690 4.232 4.997 . 0 0 "[ . 1 . 2]" 1
1288 1 74 GLU QG 1 79 HIS H 1.800 . 7.100 6.377 6.041 6.591 . 0 0 "[ . 1 . 2]" 1
1289 1 74 GLU HB3 1 79 HIS QB 1.800 . 5.500 3.355 2.715 3.748 . 0 0 "[ . 1 . 2]" 1
1290 1 74 GLU HB2 1 79 HIS QB 1.800 . 5.500 3.803 3.198 4.459 . 0 0 "[ . 1 . 2]" 1
1291 1 74 GLU QG 1 79 HIS QB 1.800 . 6.000 5.041 4.677 5.381 . 0 0 "[ . 1 . 2]" 1
1292 1 74 GLU HA 1 79 HIS HA 1.800 . 3.300 2.123 1.863 2.396 . 0 0 "[ . 1 . 2]" 1
1293 1 74 GLU HA 1 79 HIS QB 1.800 . 5.000 4.138 3.577 4.520 . 0 0 "[ . 1 . 2]" 1
1294 1 75 PHE H 1 80 ILE H 1.800 . 5.000 3.021 2.551 3.340 . 0 0 "[ . 1 . 2]" 1
1295 1 75 PHE H 1 78 ARG H 1.800 . 5.000 3.545 3.301 3.786 . 0 0 "[ . 1 . 2]" 1
1296 1 75 PHE H 1 79 HIS HA 1.800 . 5.000 2.962 2.341 3.415 . 0 0 "[ . 1 . 2]" 1
1297 1 75 PHE H 1 79 HIS QB 1.800 . 5.500 4.883 4.441 5.279 . 0 0 "[ . 1 . 2]" 1
1298 1 74 GLU HA 1 80 ILE H 1.800 . 5.000 2.182 2.041 2.335 . 0 0 "[ . 1 . 2]" 1
1299 1 5 GLN HA 1 81 THR HB 1.800 . 5.000 3.151 2.158 4.139 . 0 0 "[ . 1 . 2]" 1
1300 1 5 GLN HB3 1 81 THR HB 1.800 . 5.000 3.175 2.590 3.422 . 0 0 "[ . 1 . 2]" 1
1301 1 5 GLN HB2 1 81 THR HB 1.800 . 5.000 4.818 4.315 5.015 0.015 8 0 "[ . 1 . 2]" 1
1302 1 5 GLN QG 1 81 THR HB 1.800 . 5.500 3.612 2.865 4.082 . 0 0 "[ . 1 . 2]" 1
1303 1 5 GLN QG 1 81 THR MG 1.800 . 6.500 3.479 3.284 3.648 . 0 0 "[ . 1 . 2]" 1
1304 1 5 GLN QB 1 81 THR MG 1.800 . 6.500 4.006 3.732 4.300 . 0 0 "[ . 1 . 2]" 1
1305 1 5 GLN H 1 81 THR MG 1.800 . 6.000 6.025 6.006 6.057 0.057 14 0 "[ . 1 . 2]" 1
1306 1 6 ILE H 1 81 THR MG 1.800 . 6.000 4.570 4.085 4.926 . 0 0 "[ . 1 . 2]" 1
1307 1 81 THR MG 1 83 TRP HE1 1.800 . 6.000 1.974 1.816 2.182 . 0 0 "[ . 1 . 2]" 1
1308 1 72 GLU QB 1 81 THR HB 1.800 . 5.500 4.787 4.003 5.321 . 0 0 "[ . 1 . 2]" 1
1309 1 72 GLU QG 1 81 THR HB 1.800 . 5.500 5.255 4.566 5.505 0.005 1 0 "[ . 1 . 2]" 1
1310 1 72 GLU HA 1 82 LEU H 1.800 . 5.000 2.782 2.424 3.067 . 0 0 "[ . 1 . 2]" 1
1311 1 71 LEU QD 1 82 LEU H 1.800 . 7.000 3.677 2.390 4.598 . 0 0 "[ . 1 . 2]" 1
1312 1 68 PHE QD 1 84 PHE QE 1.800 . 7.000 5.691 5.204 6.608 . 0 0 "[ . 1 . 2]" 1
1313 1 68 PHE HA 1 86 LEU HA 1.800 . 5.000 5.038 5.001 5.102 0.102 15 0 "[ . 1 . 2]" 1
1314 1 90 TRP HH2 1 105 MET H 1.800 . 5.000 4.570 4.268 4.922 . 0 0 "[ . 1 . 2]" 1
1315 1 107 LEU QD 1 126 LEU QB 1.800 . 7.500 3.742 3.044 4.601 . 0 0 "[ . 1 . 2]" 1
1316 1 109 GLY HA3 1 129 LEU MD2 1.800 . 5.000 5.016 5.007 5.032 0.032 18 0 "[ . 1 . 2]" 1
1317 1 109 GLY HA2 1 129 LEU MD2 1.800 . 5.000 3.883 3.650 4.001 . 0 0 "[ . 1 . 2]" 1
1318 1 110 LEU QD 1 123 ILE MD 1.800 . 7.000 1.784 1.745 1.897 0.055 10 0 "[ . 1 . 2]" 1
1319 1 110 LEU MD2 1 127 LYS HA 1.800 . 4.300 4.317 4.303 4.350 0.050 15 0 "[ . 1 . 2]" 1
1320 1 110 LEU MD1 1 127 LYS HA 1.800 . 6.000 5.290 3.004 6.016 0.016 5 0 "[ . 1 . 2]" 1
1321 1 110 LEU QD 1 127 LYS QG 1.800 . 6.500 3.903 2.356 4.826 . 0 0 "[ . 1 . 2]" 1
1322 1 111 ASN H 1 115 PHE QE 1.800 . 7.100 7.018 6.799 7.120 0.020 16 0 "[ . 1 . 2]" 1
1323 1 111 ASN HA 1 115 PHE QB 1.800 . 5.500 5.622 5.584 5.641 0.141 4 0 "[ . 1 . 2]" 1
1324 1 111 ASN HB3 1 115 PHE QB 1.800 . 5.500 4.969 4.793 5.059 . 0 0 "[ . 1 . 2]" 1
1325 1 111 ASN HB2 1 115 PHE QB 1.800 . 5.500 5.497 5.322 5.532 0.032 2 0 "[ . 1 . 2]" 1
1326 1 112 ALA H 1 123 ILE MD 1.800 . 6.000 5.688 5.402 5.836 . 0 0 "[ . 1 . 2]" 1
1327 1 112 ALA H 1 123 ILE MG 1.800 . 6.000 4.085 3.729 4.402 . 0 0 "[ . 1 . 2]" 1
1328 1 112 ALA HA 1 123 ILE MD 1.800 . 4.300 4.366 4.347 4.380 0.080 7 0 "[ . 1 . 2]" 1
1329 1 112 ALA HA 1 123 ILE MG 1.800 . 6.000 3.260 2.708 3.575 . 0 0 "[ . 1 . 2]" 1
1330 1 112 ALA MB 1 123 ILE MD 1.800 . 5.300 4.695 4.429 4.919 . 0 0 "[ . 1 . 2]" 1
1331 1 112 ALA MB 1 123 ILE MG 1.800 . 5.300 3.032 2.488 3.525 . 0 0 "[ . 1 . 2]" 1
1332 1 112 ALA MB 1 123 ILE HB 1.800 . 4.300 3.962 3.234 4.324 0.024 17 0 "[ . 1 . 2]" 1
1333 1 112 ALA MB 1 120 GLU HA 1.800 . 6.000 3.651 3.401 4.094 . 0 0 "[ . 1 . 2]" 1
1334 1 112 ALA MB 1 120 GLU HB3 1.800 . 4.300 4.333 4.325 4.347 0.047 19 0 "[ . 1 . 2]" 1
1335 1 112 ALA MB 1 120 GLU HB2 1.800 . 4.300 3.998 3.096 4.335 0.035 4 0 "[ . 1 . 2]" 1
1336 1 115 PHE QB 1 119 ASN HB3 1.800 . 5.500 5.540 5.508 5.555 0.055 11 0 "[ . 1 . 2]" 1
1337 1 115 PHE QB 1 119 ASN HB2 1.800 . 5.500 5.322 5.184 5.503 0.003 1 0 "[ . 1 . 2]" 1
1338 1 115 PHE QD 1 122 VAL MG2 1.800 . 6.400 6.420 6.397 6.448 0.048 4 0 "[ . 1 . 2]" 1
1339 1 115 PHE QE 1 122 VAL MG2 1.800 . 6.400 4.820 4.747 4.962 . 0 0 "[ . 1 . 2]" 1
1340 1 115 PHE HZ 1 122 VAL MG2 1.800 . 6.000 5.679 5.476 5.957 . 0 0 "[ . 1 . 2]" 1
1341 1 115 PHE QD 1 123 ILE MD 1.800 . 6.400 3.116 2.726 3.643 . 0 0 "[ . 1 . 2]" 1
1342 1 115 PHE QE 1 123 ILE MD 1.800 . 7.100 3.419 3.048 3.830 . 0 0 "[ . 1 . 2]" 1
1343 1 84 PHE QD 1 122 VAL MG2 1.800 . 5.900 3.681 2.964 4.301 . 0 0 "[ . 1 . 2]" 1
1344 1 84 PHE QE 1 122 VAL MG2 1.800 . 6.400 3.346 2.272 4.448 . 0 0 "[ . 1 . 2]" 1
1345 1 84 PHE HZ 1 122 VAL MG2 1.800 . 6.000 3.615 2.243 5.097 . 0 0 "[ . 1 . 2]" 1
1346 1 84 PHE QD 1 122 VAL MG1 1.800 . 5.900 2.421 1.882 2.898 . 0 0 "[ . 1 . 2]" 1
1347 1 84 PHE QE 1 122 VAL MG1 1.800 . 6.400 3.191 2.302 3.906 . 0 0 "[ . 1 . 2]" 1
1348 1 84 PHE HZ 1 122 VAL MG1 1.800 . 6.000 4.222 3.507 5.167 . 0 0 "[ . 1 . 2]" 1
1349 1 84 PHE QD 1 123 ILE MG 1.800 . 5.900 5.961 5.934 5.991 0.091 1 0 "[ . 1 . 2]" 1
1350 1 68 PHE QD 1 122 VAL MG2 1.800 . 5.900 5.919 5.900 5.973 0.073 16 0 "[ . 1 . 2]" 1
1351 1 68 PHE QE 1 122 VAL MG2 1.800 . 6.400 4.403 4.246 4.564 . 0 0 "[ . 1 . 2]" 1
1352 1 84 PHE QE 1 123 ILE MD 1.800 . 7.100 2.839 2.231 3.471 . 0 0 "[ . 1 . 2]" 1
1353 1 68 PHE QD 1 123 ILE MD 1.800 . 7.100 6.125 5.641 6.633 . 0 0 "[ . 1 . 2]" 1
1354 1 68 PHE HZ 1 123 ILE MD 1.800 . 4.300 4.334 4.316 4.360 0.060 4 0 "[ . 1 . 2]" 1
1355 1 34 GLU QG 1 119 ASN HB3 1.800 . 5.500 5.098 4.490 5.509 0.009 20 0 "[ . 1 . 2]" 1
1356 1 34 GLU QG 1 119 ASN HB2 1.800 . 5.500 4.591 3.949 5.241 . 0 0 "[ . 1 . 2]" 1
1357 1 34 GLU QB 1 119 ASN HB3 1.800 . 7.000 6.952 6.622 7.022 0.022 11 0 "[ . 1 . 2]" 1
1358 1 34 GLU QB 1 119 ASN HB2 1.800 . 7.000 6.371 5.968 6.630 . 0 0 "[ . 1 . 2]" 1
1359 1 8 VAL HB 1 37 GLY HA3 1.800 . 3.800 3.382 3.307 3.639 . 0 0 "[ . 1 . 2]" 1
1360 1 8 VAL HB 1 37 GLY HA2 1.800 . 5.000 5.042 5.012 5.115 0.115 8 0 "[ . 1 . 2]" 1
1361 1 8 VAL HA 1 37 GLY HA3 1.800 . 4.300 1.961 1.767 2.399 0.033 3 0 "[ . 1 . 2]" 1
1362 1 8 VAL HA 1 37 GLY HA2 1.800 . 4.300 3.615 3.395 4.035 . 0 0 "[ . 1 . 2]" 1
1363 1 82 LEU MD1 1 122 VAL MG1 1.800 . 5.300 4.957 3.537 5.341 0.041 16 0 "[ . 1 . 2]" 1
1364 1 71 LEU MD1 1 122 VAL MG1 1.800 . 5.800 3.932 2.404 5.093 . 0 0 "[ . 1 . 2]" 1
1365 1 75 PHE QD 1 80 ILE MD 1.800 . 5.800 4.067 2.046 4.984 . 0 0 "[ . 1 . 2]" 1
1366 1 75 PHE QD 1 80 ILE MG 1.800 . 7.100 2.839 2.466 3.840 . 0 0 "[ . 1 . 2]" 1
1367 1 75 PHE QD 1 80 ILE HB 1.800 . 5.000 4.730 3.897 5.017 0.017 7 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 69
_Distance_constraint_stats_list.Viol_total 107.117
_Distance_constraint_stats_list.Viol_max 0.782
_Distance_constraint_stats_list.Viol_rms 0.1331
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0446
_Distance_constraint_stats_list.Viol_average_violations_only 0.0776
_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 1.538 0.539 3 1 "[ + . 1 . 2]"
1 53 GLU 2.610 0.782 17 2 "[ - . 1 . + 2]"
1 56 GLU 3.571 0.706 17 3 "[ . 1 - .*+ 2]"
1 57 GLU 2.993 0.782 17 3 "[ . 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 56 GLU OE1 1 57 GLU OE2 3.000 3.000 4.500 3.264 2.455 5.206 0.706 17 3 "[ . 1 - .*+ 2]" 2
2 1 53 GLU OE2 1 57 GLU OE2 3.000 3.000 4.500 3.797 2.987 5.282 0.782 17 1 "[ . 1 . + 2]" 2
3 1 38 GLY O 1 57 GLU OE2 3.000 3.000 4.500 3.332 2.974 4.376 0.026 14 0 "[ . 1 . 2]" 2
4 1 53 GLU OE2 1 56 GLU OE1 3.000 3.000 4.500 3.056 2.554 4.136 0.446 4 0 "[ . 1 . 2]" 2
5 1 38 GLY O 1 56 GLU OE1 3.000 3.000 4.500 4.535 4.519 4.567 0.067 12 0 "[ . 1 . 2]" 2
6 1 38 GLY O 1 53 GLU OE2 3.000 3.000 4.500 3.533 2.461 4.703 0.539 3 1 "[ + . 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 58
_Distance_constraint_stats_list.Viol_total 13.849
_Distance_constraint_stats_list.Viol_max 0.037
_Distance_constraint_stats_list.Viol_rms 0.0081
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0115
_Distance_constraint_stats_list.Viol_average_violations_only 0.0119
_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 0.203 0.028 18 0 "[ . 1 . 2]"
1 119 ASN 0.490 0.037 9 0 "[ . 1 . 2]"
3 1 8OG 0.692 0.037 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 119 ASN ND2 3 1 8OG O6 2.600 2.600 3.000 2.904 2.593 3.026 0.026 11 0 "[ . 1 . 2]" 3
2 1 119 ASN OD1 3 1 8OG N1 2.600 2.600 3.000 3.011 2.940 3.037 0.037 9 0 "[ . 1 . 2]" 3
3 1 78 ARG NH1 3 1 8OG O8 2.600 2.600 3.000 3.010 3.001 3.028 0.028 18 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 90
_Distance_constraint_stats_list.Viol_total 69.076
_Distance_constraint_stats_list.Viol_max 0.147
_Distance_constraint_stats_list.Viol_rms 0.0124
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0384
_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 0.008 0.008 18 0 "[ . 1 . 2]"
1 8 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ILE 0.063 0.055 18 0 "[ . 1 . 2]"
1 12 ARG 2.046 0.147 8 0 "[ . 1 . 2]"
1 13 ASN 0.351 0.053 16 0 "[ . 1 . 2]"
1 16 ASN 0.037 0.016 2 0 "[ . 1 . 2]"
1 17 GLU 0.351 0.053 16 0 "[ . 1 . 2]"
1 18 ILE 0.010 0.009 15 0 "[ . 1 . 2]"
1 19 PHE 0.063 0.055 18 0 "[ . 1 . 2]"
1 20 ILE 0.015 0.008 4 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 0.085 0.019 2 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 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LEU 0.165 0.029 2 0 "[ . 1 . 2]"
1 55 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 VAL 0.080 0.029 2 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 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 0.008 0.008 18 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 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ARG 2.046 0.147 8 0 "[ . 1 . 2]"
1 103 GLU 0.015 0.008 4 0 "[ . 1 . 2]"
1 105 MET 0.010 0.009 15 0 "[ . 1 . 2]"
1 107 LEU 0.037 0.016 2 0 "[ . 1 . 2]"
1 119 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLU 0.265 0.028 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 0.495 0.050 16 0 "[ . 1 . 2]"
1 124 ALA 0.265 0.028 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 0.495 0.050 16 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 3.698 3.307 4.055 0.055 18 0 "[ . 1 . 2]" 4
2 1 11 ILE N 1 19 PHE O 2.500 2.500 6.000 4.448 3.995 4.872 . 0 0 "[ . 1 . 2]" 4
3 1 13 ASN H 1 17 GLU O 1.500 . 4.000 1.584 1.496 1.669 0.004 16 0 "[ . 1 . 2]" 4
4 1 13 ASN N 1 17 GLU O 2.500 2.500 6.000 2.506 2.447 2.589 0.053 16 0 "[ . 1 . 2]" 4
5 1 11 ILE O 1 19 PHE H 1.500 . 4.000 2.295 1.656 2.998 . 0 0 "[ . 1 . 2]" 4
6 1 11 ILE O 1 19 PHE N 2.500 2.500 6.000 3.116 2.590 3.730 . 0 0 "[ . 1 . 2]" 4
7 1 4 LEU H 1 79 HIS O 1.500 . 4.000 1.720 1.614 1.883 . 0 0 "[ . 1 . 2]" 4
8 1 4 LEU N 1 79 HIS O 2.500 2.500 6.000 2.672 2.582 2.820 . 0 0 "[ . 1 . 2]" 4
9 1 6 ILE H 1 81 THR O 1.500 . 4.000 1.866 1.651 2.109 . 0 0 "[ . 1 . 2]" 4
10 1 6 ILE N 1 81 THR O 2.500 2.500 6.000 2.663 2.492 3.018 0.008 18 0 "[ . 1 . 2]" 4
11 1 8 VAL H 1 83 TRP O 1.500 . 4.000 1.652 1.558 1.787 . 0 0 "[ . 1 . 2]" 4
12 1 8 VAL N 1 83 TRP O 2.500 2.500 6.000 2.601 2.511 2.740 . 0 0 "[ . 1 . 2]" 4
13 1 10 ILE H 1 85 TRP O 1.500 . 4.000 2.360 2.068 2.703 . 0 0 "[ . 1 . 2]" 4
14 1 10 ILE N 1 85 TRP O 2.500 2.500 6.000 3.169 2.955 3.407 . 0 0 "[ . 1 . 2]" 4
15 1 12 ARG H 1 87 VAL O 1.500 . 4.000 3.274 3.080 3.411 . 0 0 "[ . 1 . 2]" 4
16 1 12 ARG N 1 87 VAL O 2.500 2.500 6.000 3.831 3.657 4.048 . 0 0 "[ . 1 . 2]" 4
17 1 4 LEU O 1 81 THR H 1.500 . 4.000 2.270 1.864 2.963 . 0 0 "[ . 1 . 2]" 4
18 1 4 LEU O 1 81 THR N 2.500 2.500 6.000 3.163 2.835 3.719 . 0 0 "[ . 1 . 2]" 4
19 1 6 ILE O 1 83 TRP H 1.500 . 4.000 2.022 1.665 2.410 . 0 0 "[ . 1 . 2]" 4
20 1 6 ILE O 1 83 TRP N 2.500 2.500 6.000 2.941 2.620 3.310 . 0 0 "[ . 1 . 2]" 4
21 1 8 VAL O 1 85 TRP H 1.500 . 4.000 1.690 1.562 1.923 . 0 0 "[ . 1 . 2]" 4
22 1 8 VAL O 1 85 TRP N 2.500 2.500 6.000 2.622 2.524 2.843 . 0 0 "[ . 1 . 2]" 4
23 1 10 ILE O 1 87 VAL H 1.500 . 4.000 2.704 2.428 2.943 . 0 0 "[ . 1 . 2]" 4
24 1 10 ILE O 1 87 VAL N 2.500 2.500 6.000 3.358 3.203 3.479 . 0 0 "[ . 1 . 2]" 4
25 1 12 ARG O 1 89 ARG H 1.500 . 4.000 4.102 4.067 4.147 0.147 8 0 "[ . 1 . 2]" 4
26 1 12 ARG O 1 89 ARG N 2.500 2.500 6.000 3.511 3.474 3.537 . 0 0 "[ . 1 . 2]" 4
27 1 75 PHE H 1 78 ARG O 1.500 . 4.000 1.859 1.629 2.239 . 0 0 "[ . 1 . 2]" 4
28 1 75 PHE N 1 78 ARG O 2.500 2.500 6.000 2.556 2.522 2.581 . 0 0 "[ . 1 . 2]" 4
29 1 73 TYR H 1 80 ILE O 1.500 . 4.000 2.589 2.361 2.898 . 0 0 "[ . 1 . 2]" 4
30 1 73 TYR N 1 80 ILE O 2.500 2.500 6.000 3.464 3.259 3.633 . 0 0 "[ . 1 . 2]" 4
31 1 71 LEU H 1 82 LEU O 1.500 . 4.000 2.061 1.693 2.830 . 0 0 "[ . 1 . 2]" 4
32 1 71 LEU N 1 82 LEU O 2.500 2.500 6.000 2.878 2.614 3.347 . 0 0 "[ . 1 . 2]" 4
33 1 69 GLU H 1 84 PHE O 1.500 . 4.000 2.208 1.829 3.092 . 0 0 "[ . 1 . 2]" 4
34 1 69 GLU N 1 84 PHE O 2.500 2.500 6.000 3.163 2.805 3.963 . 0 0 "[ . 1 . 2]" 4
35 1 73 TYR O 1 80 ILE H 1.500 . 4.000 2.518 2.253 3.194 . 0 0 "[ . 1 . 2]" 4
36 1 73 TYR O 1 80 ILE N 2.500 2.500 6.000 3.245 3.029 3.948 . 0 0 "[ . 1 . 2]" 4
37 1 71 LEU O 1 82 LEU H 1.500 . 4.000 2.230 1.894 2.645 . 0 0 "[ . 1 . 2]" 4
38 1 71 LEU O 1 82 LEU N 2.500 2.500 6.000 3.028 2.750 3.443 . 0 0 "[ . 1 . 2]" 4
39 1 69 GLU O 1 84 PHE H 1.500 . 4.000 2.309 1.816 3.560 . 0 0 "[ . 1 . 2]" 4
40 1 69 GLU O 1 84 PHE N 2.500 2.500 6.000 3.006 2.589 4.072 . 0 0 "[ . 1 . 2]" 4
41 1 20 ILE H 1 103 GLU O 1.500 . 4.000 3.100 2.688 3.401 . 0 0 "[ . 1 . 2]" 4
42 1 20 ILE N 1 103 GLU O 2.500 2.500 6.000 3.856 3.540 4.159 . 0 0 "[ . 1 . 2]" 4
43 1 18 ILE H 1 105 MET O 1.500 . 4.000 1.840 1.609 1.981 . 0 0 "[ . 1 . 2]" 4
44 1 18 ILE N 1 105 MET O 2.500 2.500 6.000 2.597 2.491 2.834 0.009 15 0 "[ . 1 . 2]" 4
45 1 16 ASN O 1 107 LEU H 1.500 . 4.000 3.598 3.103 4.016 0.016 2 0 "[ . 1 . 2]" 4
46 1 16 ASN O 1 107 LEU N 2.500 2.500 6.000 4.485 4.023 4.900 . 0 0 "[ . 1 . 2]" 4
47 1 18 ILE O 1 105 MET H 1.500 . 4.000 2.283 1.824 2.991 . 0 0 "[ . 1 . 2]" 4
48 1 18 ILE O 1 105 MET N 2.500 2.500 6.000 3.167 2.795 3.929 . 0 0 "[ . 1 . 2]" 4
49 1 20 ILE O 1 103 GLU H 1.500 . 4.000 3.418 2.798 4.008 0.008 4 0 "[ . 1 . 2]" 4
50 1 20 ILE O 1 103 GLU N 2.500 2.500 6.000 4.264 3.563 4.929 . 0 0 "[ . 1 . 2]" 4
51 1 47 GLU O 1 51 VAL H 1.500 . 4.000 2.601 2.310 2.806 . 0 0 "[ . 1 . 2]" 4
52 1 47 GLU O 1 51 VAL N 2.500 2.500 6.000 3.527 3.253 3.742 . 0 0 "[ . 1 . 2]" 4
53 1 48 GLN O 1 52 ARG H 1.500 . 4.000 1.997 1.681 2.432 . 0 0 "[ . 1 . 2]" 4
54 1 48 GLN O 1 52 ARG N 2.500 2.500 6.000 2.853 2.577 3.258 . 0 0 "[ . 1 . 2]" 4
55 1 49 ALA O 1 53 GLU H 1.500 . 4.000 2.187 2.028 2.410 . 0 0 "[ . 1 . 2]" 4
56 1 49 ALA O 1 53 GLU N 2.500 2.500 6.000 3.094 2.913 3.373 . 0 0 "[ . 1 . 2]" 4
57 1 50 VAL O 1 54 LEU H 1.500 . 4.000 1.755 1.661 1.864 . 0 0 "[ . 1 . 2]" 4
58 1 50 VAL O 1 54 LEU N 2.500 2.500 6.000 2.519 2.481 2.568 0.019 2 0 "[ . 1 . 2]" 4
59 1 51 VAL O 1 55 GLN H 1.500 . 4.000 3.197 3.109 3.263 . 0 0 "[ . 1 . 2]" 4
60 1 51 VAL O 1 55 GLN N 2.500 2.500 6.000 4.069 3.965 4.130 . 0 0 "[ . 1 . 2]" 4
61 1 52 ARG O 1 56 GLU H 1.500 . 4.000 2.931 2.774 3.093 . 0 0 "[ . 1 . 2]" 4
62 1 52 ARG O 1 56 GLU N 2.500 2.500 6.000 3.810 3.670 3.963 . 0 0 "[ . 1 . 2]" 4
63 1 53 GLU O 1 57 GLU H 1.500 . 4.000 1.884 1.691 2.128 . 0 0 "[ . 1 . 2]" 4
64 1 53 GLU O 1 57 GLU N 2.500 2.500 6.000 2.627 2.510 2.849 . 0 0 "[ . 1 . 2]" 4
65 1 54 LEU O 1 58 VAL H 1.500 . 4.000 2.124 2.018 2.231 . 0 0 "[ . 1 . 2]" 4
66 1 54 LEU O 1 58 VAL N 2.500 2.500 6.000 2.540 2.471 2.665 0.029 2 0 "[ . 1 . 2]" 4
67 1 55 GLN O 1 59 GLY H 1.500 . 4.000 2.025 1.850 2.230 . 0 0 "[ . 1 . 2]" 4
68 1 55 GLN O 1 59 GLY N 2.500 2.500 6.000 2.685 2.582 2.830 . 0 0 "[ . 1 . 2]" 4
69 1 119 ASN O 1 123 ILE N 2.500 2.500 6.000 3.492 3.076 3.728 . 0 0 "[ . 1 . 2]" 4
70 1 119 ASN O 1 123 ILE H 1.500 . 4.000 2.549 2.131 2.849 . 0 0 "[ . 1 . 2]" 4
71 1 120 GLU O 1 124 ALA N 2.500 2.500 6.000 2.498 2.472 2.579 0.028 2 0 "[ . 1 . 2]" 4
72 1 120 GLU O 1 124 ALA H 1.500 . 4.000 1.601 1.542 1.652 . 0 0 "[ . 1 . 2]" 4
73 1 121 PRO O 1 125 LYS H 1.500 . 4.000 3.175 3.049 3.268 . 0 0 "[ . 1 . 2]" 4
74 1 121 PRO O 1 125 LYS N 2.500 2.500 6.000 3.933 3.836 3.976 . 0 0 "[ . 1 . 2]" 4
75 1 122 VAL O 1 126 LEU H 1.500 . 4.000 2.675 2.236 3.016 . 0 0 "[ . 1 . 2]" 4
76 1 122 VAL O 1 126 LEU N 2.500 2.500 6.000 3.614 3.206 3.929 . 0 0 "[ . 1 . 2]" 4
77 1 123 ILE O 1 127 LYS H 1.500 . 4.000 1.585 1.532 1.678 . 0 0 "[ . 1 . 2]" 4
78 1 123 ILE O 1 127 LYS N 2.500 2.500 6.000 2.478 2.450 2.529 0.050 16 0 "[ . 1 . 2]" 4
79 1 124 ALA O 1 128 ARG H 1.500 . 4.000 2.673 2.099 3.010 . 0 0 "[ . 1 . 2]" 4
80 1 124 ALA O 1 128 ARG N 2.500 2.500 6.000 3.568 3.018 3.900 . 0 0 "[ . 1 . 2]" 4
81 1 125 LYS O 1 129 LEU H 1.500 . 4.000 3.432 3.119 3.548 . 0 0 "[ . 1 . 2]" 4
82 1 125 LYS O 1 129 LEU N 2.500 2.500 6.000 3.925 3.643 4.081 . 0 0 "[ . 1 . 2]" 4
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