NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
428554 |
2i94   |
7293 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2i94
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 1282
_Distance_constraint_stats_list.Viol_count 795
_Distance_constraint_stats_list.Viol_total 679.254
_Distance_constraint_stats_list.Viol_max 0.735
_Distance_constraint_stats_list.Viol_rms 0.0291
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.0854
_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 8 ALA 0.000 0.000 . 0 "[ . 1]"
1 9 LEU 0.601 0.081 4 0 "[ . 1]"
1 10 SER 0.412 0.068 6 0 "[ . 1]"
1 11 LYS 0.689 0.134 3 0 "[ . 1]"
1 12 GLU 1.075 0.081 4 0 "[ . 1]"
1 13 ILE 1.153 0.100 7 0 "[ . 1]"
1 14 LEU 1.117 0.134 3 0 "[ . 1]"
1 15 GLU 0.552 0.058 7 0 "[ . 1]"
1 16 GLU 0.411 0.100 7 0 "[ . 1]"
1 17 LEU 0.021 0.021 10 0 "[ . 1]"
1 18 GLN 0.000 0.000 . 0 "[ . 1]"
1 19 LEU 0.000 0.000 . 0 "[ . 1]"
1 20 ASN 0.000 0.000 . 0 "[ . 1]"
1 21 THR 0.000 0.000 . 0 "[ . 1]"
1 22 LYS 0.000 0.000 . 0 "[ . 1]"
1 23 PHE 0.177 0.053 9 0 "[ . 1]"
1 24 THR 0.177 0.053 9 0 "[ . 1]"
1 25 GLU 0.000 0.000 . 0 "[ . 1]"
1 26 GLU 0.081 0.081 10 0 "[ . 1]"
1 27 GLU 0.452 0.068 10 0 "[ . 1]"
1 28 LEU 0.879 0.128 2 0 "[ . 1]"
1 29 SER 0.485 0.081 10 0 "[ . 1]"
1 30 SER 0.841 0.122 7 0 "[ . 1]"
1 31 TRP 0.537 0.128 2 0 "[ . 1]"
1 32 TYR 1.336 0.148 5 0 "[ . 1]"
1 33 GLN 1.240 0.122 7 0 "[ . 1]"
1 34 SER 0.489 0.127 1 0 "[ . 1]"
1 35 PHE 1.542 0.148 5 0 "[ . 1]"
1 36 LEU 0.509 0.117 1 0 "[ . 1]"
1 37 LYS 0.864 0.127 1 0 "[ . 1]"
1 38 GLU 0.985 0.124 7 0 "[ . 1]"
1 39 CYS 0.000 0.000 . 0 "[ . 1]"
1 40 PRO 0.000 0.000 . 0 "[ . 1]"
1 41 SER 0.000 0.000 . 0 "[ . 1]"
1 42 GLY 0.055 0.055 1 0 "[ . 1]"
1 43 ARG 0.291 0.075 8 0 "[ . 1]"
1 44 ILE 0.000 0.000 . 0 "[ . 1]"
1 45 THR 0.000 0.000 . 0 "[ . 1]"
1 46 ARG 0.597 0.141 3 0 "[ . 1]"
1 47 GLN 0.734 0.134 7 0 "[ . 1]"
1 48 GLU 0.875 0.081 4 0 "[ . 1]"
1 49 PHE 1.334 0.141 3 0 "[ . 1]"
1 50 GLN 0.995 0.134 7 0 "[ . 1]"
1 51 THR 0.246 0.068 10 0 "[ . 1]"
1 52 ILE 1.204 0.185 10 0 "[ . 1]"
1 53 TYR 0.553 0.120 8 0 "[ . 1]"
1 54 SER 0.000 0.000 . 0 "[ . 1]"
1 55 LYS 1.096 0.185 10 0 "[ . 1]"
1 56 PHE 0.459 0.120 8 0 "[ . 1]"
1 57 PHE 0.167 0.082 4 0 "[ . 1]"
1 58 PRO 0.000 0.000 . 0 "[ . 1]"
1 59 GLU 0.334 0.057 7 0 "[ . 1]"
1 60 ALA 1.968 0.300 4 0 "[ . 1]"
1 61 ASP 0.123 0.036 9 0 "[ . 1]"
1 62 PRO 0.000 0.000 . 0 "[ . 1]"
1 63 LYS 2.273 0.387 5 0 "[ . 1]"
1 64 ALA 0.424 0.108 4 0 "[ . 1]"
1 65 TYR 0.042 0.042 2 0 "[ . 1]"
1 66 ALA 2.231 0.735 4 1 "[ +. 1]"
1 67 GLN 1.745 0.214 2 0 "[ . 1]"
1 68 HIS 2.638 0.232 2 0 "[ . 1]"
1 69 VAL 1.589 0.735 4 1 "[ +. 1]"
1 70 PHE 1.849 0.218 1 0 "[ . 1]"
1 71 ARG 0.050 0.044 6 0 "[ . 1]"
1 72 SER 0.085 0.085 7 0 "[ . 1]"
1 73 PHE 1.510 0.218 1 0 "[ . 1]"
1 74 ASP 3.970 0.545 4 3 "[* +. -]"
1 75 ALA 3.970 0.545 4 3 "[* +. -]"
1 76 ASN 0.000 0.000 . 0 "[ . 1]"
1 77 SER 0.274 0.111 7 0 "[ . 1]"
1 78 ASP 0.049 0.035 3 0 "[ . 1]"
1 79 GLY 0.407 0.111 7 0 "[ . 1]"
1 80 THR 2.172 0.306 5 0 "[ . 1]"
1 81 LEU 1.633 0.306 5 0 "[ . 1]"
1 82 ASP 0.000 0.000 . 0 "[ . 1]"
1 83 PHE 0.034 0.034 6 0 "[ . 1]"
1 84 LYS 0.694 0.129 6 0 "[ . 1]"
1 85 GLU 0.082 0.064 8 0 "[ . 1]"
1 86 TYR 1.464 0.169 2 0 "[ . 1]"
1 87 VAL 1.328 0.129 6 0 "[ . 1]"
1 88 ILE 0.082 0.064 8 0 "[ . 1]"
1 89 ALA 1.108 0.169 2 0 "[ . 1]"
1 90 LEU 0.049 0.049 3 0 "[ . 1]"
1 91 HIS 0.000 0.000 . 0 "[ . 1]"
1 92 MET 0.264 0.108 5 0 "[ . 1]"
1 93 THR 0.000 0.000 . 0 "[ . 1]"
1 94 SER 0.000 0.000 . 0 "[ . 1]"
1 95 ALA 0.000 0.000 . 0 "[ . 1]"
1 96 GLY 0.000 0.000 . 0 "[ . 1]"
1 101 LYS 0.062 0.045 7 0 "[ . 1]"
1 102 LEU 0.000 0.000 . 0 "[ . 1]"
1 103 GLU 0.317 0.049 3 0 "[ . 1]"
1 104 TRP 0.427 0.080 9 0 "[ . 1]"
1 105 ALA 0.148 0.078 4 0 "[ . 1]"
1 106 PHE 0.317 0.049 3 0 "[ . 1]"
1 107 SER 1.459 0.172 1 0 "[ . 1]"
1 108 LEU 0.655 0.078 4 0 "[ . 1]"
1 109 TYR 0.000 0.000 . 0 "[ . 1]"
1 110 ASP 1.165 0.299 1 0 "[ . 1]"
1 111 VAL 2.006 0.393 4 0 "[ . 1]"
1 112 ASP 1.885 0.393 4 0 "[ . 1]"
1 113 GLY 0.966 0.402 1 0 "[ . 1]"
1 114 ASN 3.346 0.420 1 0 "[ . 1]"
1 115 GLY 3.562 0.420 1 0 "[ . 1]"
1 116 THR 2.028 0.274 3 0 "[ . 1]"
1 117 ILE 0.150 0.077 10 0 "[ . 1]"
1 118 SER 0.012 0.012 8 0 "[ . 1]"
1 119 LYS 1.326 0.164 1 0 "[ . 1]"
1 120 ASN 0.912 0.155 3 0 "[ . 1]"
1 121 GLU 0.920 0.174 1 0 "[ . 1]"
1 122 VAL 3.325 0.352 3 0 "[ . 1]"
1 123 LEU 3.211 0.352 3 0 "[ . 1]"
1 124 GLU 1.021 0.174 1 0 "[ . 1]"
1 125 ILE 0.318 0.054 1 0 "[ . 1]"
1 126 VAL 1.159 0.204 7 0 "[ . 1]"
1 127 THR 0.264 0.067 3 0 "[ . 1]"
1 128 ALA 0.301 0.054 1 0 "[ . 1]"
1 129 ILE 2.014 0.232 2 0 "[ . 1]"
1 130 PHE 0.409 0.204 7 0 "[ . 1]"
1 131 LYS 0.087 0.024 6 0 "[ . 1]"
1 132 MET 3.215 0.387 5 0 "[ . 1]"
1 133 ILE 0.387 0.080 7 0 "[ . 1]"
1 134 SER 0.000 0.000 . 0 "[ . 1]"
1 135 PRO 0.000 0.000 . 0 "[ . 1]"
1 136 GLU 0.191 0.062 8 0 "[ . 1]"
1 137 ASP 0.302 0.068 10 0 "[ . 1]"
1 138 THR 0.511 0.081 2 0 "[ . 1]"
1 139 LYS 0.000 0.000 . 0 "[ . 1]"
1 140 HIS 0.227 0.068 10 0 "[ . 1]"
1 141 LEU 0.240 0.081 2 0 "[ . 1]"
1 142 PRO 0.098 0.098 4 0 "[ . 1]"
1 143 GLU 0.098 0.098 4 0 "[ . 1]"
1 144 ASP 0.000 0.000 . 0 "[ . 1]"
1 145 GLU 0.579 0.165 5 0 "[ . 1]"
1 146 ASN 0.352 0.165 5 0 "[ . 1]"
1 147 THR 1.705 0.291 5 0 "[ . 1]"
1 148 PRO 0.375 0.095 4 0 "[ . 1]"
1 149 GLU 0.813 0.138 10 0 "[ . 1]"
1 150 LYS 3.336 0.291 5 0 "[ . 1]"
1 151 ARG 0.603 0.095 4 0 "[ . 1]"
1 152 ALA 1.321 0.138 10 0 "[ . 1]"
1 153 GLU 2.517 0.210 4 0 "[ . 1]"
1 154 LYS 0.000 0.000 . 0 "[ . 1]"
1 155 ILE 1.840 0.217 3 0 "[ . 1]"
1 156 TRP 2.636 0.441 5 0 "[ . 1]"
1 157 GLY 0.000 0.000 . 0 "[ . 1]"
1 158 PHE 1.332 0.217 3 0 "[ . 1]"
1 159 PHE 0.038 0.038 5 0 "[ . 1]"
1 160 GLY 0.545 0.178 10 0 "[ . 1]"
1 161 LYS 1.375 0.178 10 0 "[ . 1]"
1 162 LYS 0.000 0.000 . 0 "[ . 1]"
1 163 ASP 0.000 0.000 . 0 "[ . 1]"
1 164 ASP 0.921 0.262 7 0 "[ . 1]"
1 165 ASP 2.679 0.286 10 0 "[ . 1]"
1 166 LYS 0.927 0.286 10 0 "[ . 1]"
1 167 LEU 1.744 0.441 5 0 "[ . 1]"
1 168 THR 1.270 0.274 3 0 "[ . 1]"
1 169 GLU 0.000 0.000 . 0 "[ . 1]"
1 170 LYS 1.604 0.218 10 0 "[ . 1]"
1 171 GLU 0.363 0.098 3 0 "[ . 1]"
1 172 PHE 0.978 0.163 10 0 "[ . 1]"
1 173 ILE 3.166 0.218 10 0 "[ . 1]"
1 174 GLU 0.000 0.000 . 0 "[ . 1]"
1 175 GLY 0.437 0.163 10 0 "[ . 1]"
1 176 THR 1.440 0.174 3 0 "[ . 1]"
1 177 LEU 0.316 0.059 5 0 "[ . 1]"
1 178 ALA 0.604 0.060 4 0 "[ . 1]"
1 179 ASN 0.288 0.060 4 0 "[ . 1]"
1 180 LYS 0.296 0.199 3 0 "[ . 1]"
1 181 GLU 0.000 0.000 . 0 "[ . 1]"
1 182 ILE 0.208 0.101 3 0 "[ . 1]"
1 183 LEU 0.298 0.199 3 0 "[ . 1]"
1 184 ARG 0.002 0.002 8 0 "[ . 1]"
1 185 LEU 0.190 0.101 3 0 "[ . 1]"
1 186 ILE 0.038 0.021 4 0 "[ . 1]"
1 187 GLN 0.000 0.000 . 0 "[ . 1]"
1 188 PHE 0.000 0.000 . 0 "[ . 1]"
1 189 GLU 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 ALA HA 1 32 TYR QD 0.000 . 7.000 5.707 4.404 6.470 . 0 0 "[ . 1]" 1
2 1 9 LEU HA 1 10 SER H 0.000 . 3.500 3.527 3.466 3.568 0.068 6 0 "[ . 1]" 1
3 1 9 LEU HA 1 12 GLU QB 0.000 . 4.300 2.921 2.588 3.107 . 0 0 "[ . 1]" 1
4 1 9 LEU HA 1 12 GLU H 0.000 . 3.500 3.496 3.231 3.581 0.081 4 0 "[ . 1]" 1
5 1 9 LEU HA 1 84 LYS QB 0.000 . 6.000 5.031 4.729 5.178 . 0 0 "[ . 1]" 1
6 1 9 LEU QB 1 13 ILE MD 0.000 . 7.500 3.873 3.565 4.196 . 0 0 "[ . 1]" 1
7 1 9 LEU MD1 1 13 ILE MD 0.000 . 8.000 2.329 1.868 2.737 . 0 0 "[ . 1]" 1
8 1 9 LEU MD1 1 13 ILE QG 0.000 . 7.500 3.345 2.117 3.735 . 0 0 "[ . 1]" 1
9 1 9 LEU MD1 1 13 ILE MG 0.000 . 5.700 4.700 3.954 5.021 . 0 0 "[ . 1]" 1
10 1 9 LEU MD1 1 28 LEU MD2 0.000 . 6.300 5.067 2.999 5.427 . 0 0 "[ . 1]" 1
11 1 9 LEU MD1 1 32 TYR HA 0.000 . 6.500 4.238 3.239 5.031 . 0 0 "[ . 1]" 1
12 1 9 LEU MD1 1 32 TYR QB 0.000 . 7.500 3.108 2.055 3.892 . 0 0 "[ . 1]" 1
13 1 9 LEU MD1 1 83 PHE QB 0.000 . 7.500 2.668 2.117 4.296 . 0 0 "[ . 1]" 1
14 1 9 LEU MD1 1 83 PHE QD 0.000 . 8.500 2.012 1.886 2.717 . 0 0 "[ . 1]" 1
15 1 9 LEU MD1 1 83 PHE QE 0.000 . 6.800 3.187 2.076 3.706 . 0 0 "[ . 1]" 1
16 1 9 LEU MD1 1 84 LYS QB 0.000 . 7.500 2.978 2.142 4.036 . 0 0 "[ . 1]" 1
17 1 9 LEU MD1 1 84 LYS QG 0.000 . 7.500 4.300 3.708 5.348 . 0 0 "[ . 1]" 1
18 1 9 LEU MD2 1 10 SER QB 0.000 . 7.500 3.590 3.006 4.714 . 0 0 "[ . 1]" 1
19 1 9 LEU MD2 1 10 SER H 0.000 . 6.500 2.443 1.742 3.401 . 0 0 "[ . 1]" 1
20 1 9 LEU MD2 1 13 ILE MD 0.000 . 8.000 1.927 1.785 2.264 . 0 0 "[ . 1]" 1
21 1 9 LEU MD2 1 13 ILE MG 0.000 . 7.300 3.701 3.483 3.887 . 0 0 "[ . 1]" 1
22 1 9 LEU MD2 1 28 LEU MD2 0.000 . 8.000 3.671 3.320 4.179 . 0 0 "[ . 1]" 1
23 1 9 LEU MD2 1 32 TYR QB 0.000 . 5.800 2.790 2.067 4.178 . 0 0 "[ . 1]" 1
24 1 9 LEU MD2 1 83 PHE QB 0.000 . 7.500 3.888 3.540 4.414 . 0 0 "[ . 1]" 1
25 1 9 LEU MD2 1 83 PHE QD 0.000 . 8.500 2.487 1.958 3.762 . 0 0 "[ . 1]" 1
26 1 9 LEU MD2 1 84 LYS QB 0.000 . 5.800 3.622 2.185 4.509 . 0 0 "[ . 1]" 1
27 1 9 LEU MD2 1 84 LYS QD 0.000 . 7.500 4.804 3.436 6.035 . 0 0 "[ . 1]" 1
28 1 9 LEU H 1 10 SER H 0.000 . 5.000 3.397 2.558 4.103 . 0 0 "[ . 1]" 1
29 1 10 SER HA 1 13 ILE HB 0.000 . 3.300 2.723 2.427 3.320 0.020 5 0 "[ . 1]" 1
30 1 10 SER HA 1 13 ILE MD 0.000 . 6.500 3.052 2.271 3.902 . 0 0 "[ . 1]" 1
31 1 10 SER HA 1 13 ILE H 0.000 . 3.500 3.478 3.384 3.556 0.056 10 0 "[ . 1]" 1
32 1 10 SER QB 1 11 LYS QB 0.000 . 7.000 4.404 3.856 5.035 . 0 0 "[ . 1]" 1
33 1 10 SER QB 1 13 ILE HB 0.000 . 6.000 4.448 4.105 4.703 . 0 0 "[ . 1]" 1
34 1 10 SER QB 1 13 ILE MD 0.000 . 7.500 4.419 3.662 5.248 . 0 0 "[ . 1]" 1
35 1 10 SER QB 1 13 ILE QG 0.000 . 7.000 4.408 3.824 5.417 . 0 0 "[ . 1]" 1
36 1 10 SER QB 1 13 ILE H 0.000 . 6.000 5.002 4.737 5.121 . 0 0 "[ . 1]" 1
37 1 10 SER QB 1 25 GLU QB 0.000 . 7.000 3.803 2.919 4.282 . 0 0 "[ . 1]" 1
38 1 10 SER H 1 11 LYS H 0.000 . 5.000 3.205 2.945 3.542 . 0 0 "[ . 1]" 1
39 1 10 SER H 1 13 ILE MD 0.000 . 5.000 4.093 3.873 4.261 . 0 0 "[ . 1]" 1
40 1 11 LYS HA 1 12 GLU QB 0.000 . 6.000 5.280 5.162 5.423 . 0 0 "[ . 1]" 1
41 1 11 LYS HA 1 14 LEU QB 0.000 . 3.900 2.632 2.350 3.174 . 0 0 "[ . 1]" 1
42 1 11 LYS HA 1 14 LEU H 0.000 . 3.500 3.569 3.505 3.634 0.134 3 0 "[ . 1]" 1
43 1 11 LYS QB 1 12 GLU H 0.000 . 4.500 2.432 2.158 2.785 . 0 0 "[ . 1]" 1
44 1 11 LYS QB 1 14 LEU H 0.000 . 6.000 4.913 4.793 5.104 . 0 0 "[ . 1]" 1
45 1 11 LYS H 1 12 GLU H 0.000 . 5.000 2.827 2.569 2.934 . 0 0 "[ . 1]" 1
46 1 12 GLU HA 1 13 ILE H 0.000 . 3.500 3.536 3.522 3.547 0.047 8 0 "[ . 1]" 1
47 1 12 GLU HA 1 15 GLU QB 0.000 . 3.700 2.523 2.243 2.787 . 0 0 "[ . 1]" 1
48 1 12 GLU HA 1 15 GLU H 0.000 . 3.500 3.428 3.106 3.551 0.051 6 0 "[ . 1]" 1
49 1 12 GLU QB 1 13 ILE MD 0.000 . 5.800 4.061 3.475 4.250 . 0 0 "[ . 1]" 1
50 1 12 GLU QB 1 13 ILE H 0.000 . 4.500 2.213 1.989 2.523 . 0 0 "[ . 1]" 1
51 1 12 GLU QG 1 13 ILE MD 0.000 . 7.500 5.301 4.220 5.574 . 0 0 "[ . 1]" 1
52 1 12 GLU H 1 13 ILE HB 0.000 . 5.000 4.993 4.721 5.076 0.076 5 0 "[ . 1]" 1
53 1 12 GLU H 1 13 ILE H 0.000 . 5.000 2.700 2.589 2.875 . 0 0 "[ . 1]" 1
54 1 13 ILE HA 1 16 GLU QB 0.000 . 4.300 2.380 2.122 3.027 . 0 0 "[ . 1]" 1
55 1 13 ILE HA 1 16 GLU QG 0.000 . 6.000 3.608 2.569 4.310 . 0 0 "[ . 1]" 1
56 1 13 ILE HA 1 16 GLU H 0.000 . 3.500 3.281 2.920 3.552 0.052 3 0 "[ . 1]" 1
57 1 13 ILE HA 1 84 LYS QG 0.000 . 6.000 3.505 3.028 4.009 . 0 0 "[ . 1]" 1
58 1 13 ILE HB 1 14 LEU H 0.000 . 5.000 2.496 2.128 2.775 . 0 0 "[ . 1]" 1
59 1 13 ILE HB 1 16 GLU H 0.000 . 5.000 4.982 4.748 5.100 0.100 7 0 "[ . 1]" 1
60 1 13 ILE HB 1 84 LYS QG 0.000 . 6.000 4.907 4.497 5.200 . 0 0 "[ . 1]" 1
61 1 13 ILE MD 1 16 GLU QG 0.000 . 7.500 5.443 4.923 5.664 . 0 0 "[ . 1]" 1
62 1 13 ILE MD 1 83 PHE QE 0.000 . 8.500 3.317 2.156 3.721 . 0 0 "[ . 1]" 1
63 1 13 ILE MD 1 84 LYS HA 0.000 . 6.500 2.109 1.894 2.629 . 0 0 "[ . 1]" 1
64 1 13 ILE MD 1 84 LYS QB 0.000 . 7.500 2.878 2.350 3.842 . 0 0 "[ . 1]" 1
65 1 13 ILE MD 1 87 VAL HA 0.000 . 6.500 5.271 5.117 5.410 . 0 0 "[ . 1]" 1
66 1 13 ILE MD 1 87 VAL HB 0.000 . 6.500 2.853 2.718 3.052 . 0 0 "[ . 1]" 1
67 1 13 ILE MD 1 87 VAL MG2 0.000 . 8.000 2.664 2.225 2.901 . 0 0 "[ . 1]" 1
68 1 13 ILE MG 1 84 LYS HA 0.000 . 4.800 3.561 2.620 3.887 . 0 0 "[ . 1]" 1
69 1 13 ILE MG 1 88 ILE MD 0.000 . 5.700 2.915 2.242 3.782 . 0 0 "[ . 1]" 1
70 1 13 ILE H 1 14 LEU H 0.000 . 3.500 2.731 2.530 2.866 . 0 0 "[ . 1]" 1
71 1 14 LEU HA 1 15 GLU H 0.000 . 3.500 3.535 3.505 3.558 0.058 2 0 "[ . 1]" 1
72 1 14 LEU HA 1 17 LEU H 0.000 . 3.500 2.849 2.598 3.179 . 0 0 "[ . 1]" 1
73 1 14 LEU HA 1 28 LEU MD2 0.000 . 4.800 4.091 3.992 4.197 . 0 0 "[ . 1]" 1
74 1 14 LEU QB 1 15 GLU H 0.000 . 4.500 2.396 2.155 2.648 . 0 0 "[ . 1]" 1
75 1 14 LEU QB 1 16 GLU QB 0.000 . 7.000 5.327 5.123 5.634 . 0 0 "[ . 1]" 1
76 1 14 LEU QB 1 17 LEU H 0.000 . 4.500 4.350 4.139 4.521 0.021 10 0 "[ . 1]" 1
77 1 14 LEU QD 1 15 GLU H 0.000 . 5.900 3.742 3.089 4.114 . 0 0 "[ . 1]" 1
78 1 14 LEU QD 1 17 LEU HA 0.000 . 5.700 3.533 2.959 4.230 . 0 0 "[ . 1]" 1
79 1 14 LEU QD 1 24 THR HA 0.000 . 7.400 5.100 4.648 5.434 . 0 0 "[ . 1]" 1
80 1 14 LEU QD 1 25 GLU HA 0.000 . 5.700 3.212 2.275 3.900 . 0 0 "[ . 1]" 1
81 1 14 LEU HG 1 15 GLU H 0.000 . 5.000 4.098 3.335 5.058 0.058 7 0 "[ . 1]" 1
82 1 14 LEU H 1 15 GLU H 0.000 . 3.500 2.613 2.462 2.751 . 0 0 "[ . 1]" 1
83 1 15 GLU H 1 16 GLU H 0.000 . 2.900 2.565 2.510 2.621 . 0 0 "[ . 1]" 1
84 1 16 GLU HA 1 17 LEU MD1 0.000 . 4.800 3.684 2.870 3.888 . 0 0 "[ . 1]" 1
85 1 16 GLU HA 1 88 ILE MD 0.000 . 6.500 5.400 5.279 5.520 . 0 0 "[ . 1]" 1
86 1 16 GLU QB 1 17 LEU H 0.000 . 4.500 2.958 2.731 3.165 . 0 0 "[ . 1]" 1
87 1 16 GLU QB 1 88 ILE MD 0.000 . 7.500 3.187 2.739 3.622 . 0 0 "[ . 1]" 1
88 1 16 GLU QG 1 17 LEU H 0.000 . 6.000 4.403 3.185 4.725 . 0 0 "[ . 1]" 1
89 1 16 GLU QG 1 88 ILE MD 0.000 . 7.500 2.720 2.009 3.319 . 0 0 "[ . 1]" 1
90 1 16 GLU H 1 17 LEU H 0.000 . 2.900 2.335 2.234 2.510 . 0 0 "[ . 1]" 1
91 1 17 LEU H 1 18 GLN H 0.000 . 5.000 3.681 2.576 4.674 . 0 0 "[ . 1]" 1
92 1 19 LEU HA 1 20 ASN HA 0.000 . 6.000 4.634 4.318 5.006 . 0 0 "[ . 1]" 1
93 1 20 ASN HA 1 21 THR MG 0.000 . 6.500 4.593 3.344 5.444 . 0 0 "[ . 1]" 1
94 1 20 ASN QB 1 88 ILE MD 0.000 . 7.500 5.208 3.274 5.573 . 0 0 "[ . 1]" 1
95 1 20 ASN QB 1 92 MET ME 0.000 . 7.500 4.508 3.054 5.358 . 0 0 "[ . 1]" 1
96 1 21 THR MG 1 23 PHE H 0.000 . 6.500 4.655 4.043 5.290 . 0 0 "[ . 1]" 1
97 1 22 LYS QB 1 23 PHE HA 0.000 . 6.000 4.716 4.340 5.049 . 0 0 "[ . 1]" 1
98 1 22 LYS QB 1 25 GLU QB 0.000 . 5.300 4.111 3.646 4.392 . 0 0 "[ . 1]" 1
99 1 22 LYS QB 1 95 ALA MB 0.000 . 7.500 5.546 5.363 5.646 . 0 0 "[ . 1]" 1
100 1 22 LYS QE 1 95 ALA MB 0.000 . 7.500 4.956 3.810 5.534 . 0 0 "[ . 1]" 1
101 1 23 PHE HA 1 24 THR MG 0.000 . 6.500 4.401 2.925 5.350 . 0 0 "[ . 1]" 1
102 1 23 PHE HA 1 24 THR H 0.000 . 3.500 3.043 2.195 3.553 0.053 9 0 "[ . 1]" 1
103 1 23 PHE HA 1 27 GLU QB 0.000 . 6.000 5.361 5.149 5.492 . 0 0 "[ . 1]" 1
104 1 23 PHE QB 1 24 THR H 0.000 . 6.000 2.648 1.818 3.973 . 0 0 "[ . 1]" 1
105 1 23 PHE QB 1 28 LEU MD2 0.000 . 7.500 5.488 5.316 5.592 . 0 0 "[ . 1]" 1
106 1 24 THR HA 1 27 GLU QB 0.000 . 6.000 4.677 4.129 5.040 . 0 0 "[ . 1]" 1
107 1 24 THR HB 1 25 GLU H 0.000 . 5.000 4.060 3.717 4.499 . 0 0 "[ . 1]" 1
108 1 24 THR HB 1 26 GLU QB 0.000 . 6.000 3.344 2.636 4.250 . 0 0 "[ . 1]" 1
109 1 24 THR MG 1 25 GLU H 0.000 . 6.500 3.717 2.663 4.426 . 0 0 "[ . 1]" 1
110 1 24 THR MG 1 26 GLU QB 0.000 . 7.500 3.334 2.480 4.305 . 0 0 "[ . 1]" 1
111 1 24 THR MG 1 27 GLU QG 0.000 . 7.500 4.522 3.301 5.433 . 0 0 "[ . 1]" 1
112 1 25 GLU HA 1 28 LEU MD2 0.000 . 4.800 3.214 2.733 3.600 . 0 0 "[ . 1]" 1
113 1 25 GLU H 1 26 GLU H 0.000 . 3.500 2.826 2.415 2.954 . 0 0 "[ . 1]" 1
114 1 26 GLU HA 1 29 SER QB 0.000 . 4.300 2.909 2.482 3.301 . 0 0 "[ . 1]" 1
115 1 26 GLU HA 1 29 SER H 0.000 . 3.500 3.375 3.263 3.581 0.081 10 0 "[ . 1]" 1
116 1 26 GLU QB 1 27 GLU HA 0.000 . 6.000 4.021 3.837 4.548 . 0 0 "[ . 1]" 1
117 1 26 GLU QB 1 27 GLU H 0.000 . 4.500 2.778 2.500 3.756 . 0 0 "[ . 1]" 1
118 1 27 GLU HA 1 28 LEU H 0.000 . 3.500 3.533 3.487 3.568 0.068 10 0 "[ . 1]" 1
119 1 27 GLU HA 1 29 SER H 0.000 . 5.000 3.835 3.528 4.012 . 0 0 "[ . 1]" 1
120 1 27 GLU HA 1 30 SER QB 0.000 . 4.300 3.436 2.970 3.922 . 0 0 "[ . 1]" 1
121 1 27 GLU HA 1 30 SER H 0.000 . 3.500 3.479 3.384 3.561 0.061 7 0 "[ . 1]" 1
122 1 27 GLU QG 1 28 LEU H 0.000 . 6.000 4.089 3.513 4.451 . 0 0 "[ . 1]" 1
123 1 27 GLU H 1 28 LEU H 0.000 . 3.500 2.698 2.554 2.949 . 0 0 "[ . 1]" 1
124 1 28 LEU HA 1 31 TRP QB 0.000 . 4.300 2.448 2.047 2.661 . 0 0 "[ . 1]" 1
125 1 28 LEU HA 1 31 TRP HE3 0.000 . 5.000 3.233 2.621 3.670 . 0 0 "[ . 1]" 1
126 1 28 LEU HA 1 31 TRP H 0.000 . 3.500 3.532 3.304 3.628 0.128 2 0 "[ . 1]" 1
127 1 28 LEU QB 1 29 SER H 0.000 . 6.000 2.959 2.774 3.697 . 0 0 "[ . 1]" 1
128 1 28 LEU MD1 1 29 SER H 0.000 . 6.500 3.826 2.083 4.205 . 0 0 "[ . 1]" 1
129 1 28 LEU MD1 1 87 VAL MG1 0.000 . 6.300 3.086 2.102 4.113 . 0 0 "[ . 1]" 1
130 1 28 LEU MD2 1 29 SER H 0.000 . 6.500 4.879 4.538 5.035 . 0 0 "[ . 1]" 1
131 1 28 LEU MD2 1 31 TRP QB 0.000 . 7.500 5.064 4.829 5.170 . 0 0 "[ . 1]" 1
132 1 28 LEU MD2 1 83 PHE QD 0.000 . 8.500 5.765 5.387 6.150 . 0 0 "[ . 1]" 1
133 1 28 LEU MD2 1 83 PHE QE 0.000 . 8.500 4.541 4.052 4.859 . 0 0 "[ . 1]" 1
134 1 28 LEU MD2 1 84 LYS HA 0.000 . 6.500 5.164 4.776 5.319 . 0 0 "[ . 1]" 1
135 1 28 LEU MD2 1 87 VAL HA 0.000 . 6.500 5.357 5.303 5.404 . 0 0 "[ . 1]" 1
136 1 28 LEU MD2 1 87 VAL MG1 0.000 . 8.000 2.134 2.060 2.227 . 0 0 "[ . 1]" 1
137 1 28 LEU H 1 29 SER H 0.000 . 5.000 2.629 2.509 2.774 . 0 0 "[ . 1]" 1
138 1 29 SER HA 1 30 SER H 0.000 . 5.000 3.578 3.570 3.590 . 0 0 "[ . 1]" 1
139 1 29 SER HA 1 32 TYR QB 0.000 . 4.300 2.769 2.498 2.957 . 0 0 "[ . 1]" 1
140 1 29 SER HA 1 32 TYR H 0.000 . 3.500 3.540 3.494 3.580 0.080 2 0 "[ . 1]" 1
141 1 29 SER QB 1 30 SER H 0.000 . 4.500 2.334 2.020 3.095 . 0 0 "[ . 1]" 1
142 1 29 SER H 1 30 SER H 0.000 . 5.000 2.720 2.616 2.820 . 0 0 "[ . 1]" 1
143 1 30 SER HA 1 33 GLN QB 0.000 . 4.300 2.891 2.696 3.029 . 0 0 "[ . 1]" 1
144 1 30 SER HA 1 33 GLN H 0.000 . 3.500 3.572 3.493 3.622 0.122 7 0 "[ . 1]" 1
145 1 30 SER H 1 31 TRP H 0.000 . 5.000 2.717 2.521 2.807 . 0 0 "[ . 1]" 1
146 1 31 TRP HA 1 34 SER QB 0.000 . 4.300 2.800 2.273 3.496 . 0 0 "[ . 1]" 1
147 1 31 TRP HA 1 34 SER H 0.000 . 3.500 3.270 3.129 3.467 . 0 0 "[ . 1]" 1
148 1 31 TRP QB 1 32 TYR QB 0.000 . 7.000 3.735 3.637 3.812 . 0 0 "[ . 1]" 1
149 1 31 TRP HD1 1 35 PHE HA 0.000 . 5.000 4.239 4.082 4.423 . 0 0 "[ . 1]" 1
150 1 31 TRP HE3 1 87 VAL MG2 0.000 . 4.800 3.896 3.776 3.968 . 0 0 "[ . 1]" 1
151 1 31 TRP HH2 1 87 VAL MG1 0.000 . 6.500 4.551 4.029 4.748 . 0 0 "[ . 1]" 1
152 1 31 TRP HH2 1 90 LEU MD1 0.000 . 6.500 2.896 2.464 3.307 . 0 0 "[ . 1]" 1
153 1 31 TRP H 1 32 TYR H 0.000 . 5.000 2.850 2.776 2.912 . 0 0 "[ . 1]" 1
154 1 31 TRP HZ2 1 87 VAL MG1 0.000 . 6.500 5.356 5.259 5.422 . 0 0 "[ . 1]" 1
155 1 31 TRP HZ2 1 90 LEU MD1 0.000 . 6.500 3.670 3.223 3.997 . 0 0 "[ . 1]" 1
156 1 31 TRP HZ2 1 90 LEU MD2 0.000 . 4.800 3.893 3.638 4.275 . 0 0 "[ . 1]" 1
157 1 31 TRP HZ3 1 87 VAL MG2 0.000 . 6.500 4.249 3.873 4.477 . 0 0 "[ . 1]" 1
158 1 32 TYR HA 1 35 PHE QB 0.000 . 4.300 2.653 2.456 3.020 . 0 0 "[ . 1]" 1
159 1 32 TYR HA 1 35 PHE H 0.000 . 3.500 3.593 3.553 3.648 0.148 5 0 "[ . 1]" 1
160 1 32 TYR QB 1 33 GLN HA 0.000 . 6.000 4.255 4.120 4.404 . 0 0 "[ . 1]" 1
161 1 32 TYR QB 1 36 LEU MD2 0.000 . 8.500 6.015 5.751 6.214 . 0 0 "[ . 1]" 1
162 1 32 TYR QD 1 36 LEU MD1 0.000 . 8.500 3.366 3.023 5.313 . 0 0 "[ . 1]" 1
163 1 32 TYR QE 1 36 LEU MD2 0.000 . 8.500 3.317 2.499 3.905 . 0 0 "[ . 1]" 1
164 1 32 TYR QE 1 36 LEU MD1 0.000 . 6.800 2.649 2.146 4.463 . 0 0 "[ . 1]" 1
165 1 32 TYR H 1 33 GLN QB 0.000 . 6.000 4.754 4.637 4.983 . 0 0 "[ . 1]" 1
166 1 32 TYR H 1 33 GLN H 0.000 . 5.000 2.964 2.900 3.088 . 0 0 "[ . 1]" 1
167 1 33 GLN HA 1 34 SER H 0.000 . 5.000 3.530 3.502 3.557 . 0 0 "[ . 1]" 1
168 1 33 GLN HA 1 36 LEU QB 0.000 . 4.300 2.518 2.354 2.665 . 0 0 "[ . 1]" 1
169 1 33 GLN HA 1 36 LEU MD1 0.000 . 4.800 2.730 2.330 3.874 . 0 0 "[ . 1]" 1
170 1 33 GLN HA 1 36 LEU HG 0.000 . 5.000 4.198 3.851 4.469 . 0 0 "[ . 1]" 1
171 1 33 GLN HA 1 36 LEU H 0.000 . 3.500 3.531 3.307 3.617 0.117 1 0 "[ . 1]" 1
172 1 33 GLN QB 1 34 SER H 0.000 . 6.000 2.511 2.323 2.644 . 0 0 "[ . 1]" 1
173 1 33 GLN H 1 34 SER H 0.000 . 3.500 2.577 2.436 2.770 . 0 0 "[ . 1]" 1
174 1 34 SER HA 1 35 PHE QB 0.000 . 6.000 5.202 5.125 5.233 . 0 0 "[ . 1]" 1
175 1 34 SER HA 1 37 LYS QB 0.000 . 4.300 3.149 2.693 3.847 . 0 0 "[ . 1]" 1
176 1 34 SER HA 1 37 LYS H 0.000 . 3.500 3.520 3.302 3.627 0.127 1 0 "[ . 1]" 1
177 1 34 SER H 1 35 PHE H 0.000 . 3.500 2.612 2.517 2.669 . 0 0 "[ . 1]" 1
178 1 35 PHE HA 1 36 LEU H 0.000 . 5.000 3.502 3.457 3.529 . 0 0 "[ . 1]" 1
179 1 35 PHE HA 1 38 GLU QB 0.000 . 6.000 2.995 2.231 3.390 . 0 0 "[ . 1]" 1
180 1 35 PHE HA 1 38 GLU H 0.000 . 3.500 3.548 3.372 3.624 0.124 7 0 "[ . 1]" 1
181 1 35 PHE QB 1 36 LEU MD2 0.000 . 7.500 5.113 4.855 5.358 . 0 0 "[ . 1]" 1
182 1 35 PHE QB 1 36 LEU H 0.000 . 6.000 2.770 2.619 2.900 . 0 0 "[ . 1]" 1
183 1 35 PHE QD 1 36 LEU MD2 0.000 . 6.800 3.758 3.514 4.408 . 0 0 "[ . 1]" 1
184 1 35 PHE QD 1 38 GLU QB 0.000 . 8.000 3.976 3.381 4.595 . 0 0 "[ . 1]" 1
185 1 35 PHE QE 1 42 GLY QA 0.000 . 6.300 2.573 2.171 3.752 . 0 0 "[ . 1]" 1
186 1 35 PHE QE 1 43 ARG HA 0.000 . 7.000 5.373 3.802 6.085 . 0 0 "[ . 1]" 1
187 1 35 PHE QE 1 44 ILE MG 0.000 . 6.800 3.773 3.220 4.473 . 0 0 "[ . 1]" 1
188 1 35 PHE QE 1 52 ILE MD 0.000 . 8.500 4.875 4.532 5.219 . 0 0 "[ . 1]" 1
189 1 35 PHE QE 1 82 ASP HA 0.000 . 7.000 5.228 4.161 6.089 . 0 0 "[ . 1]" 1
190 1 35 PHE H 1 36 LEU H 0.000 . 2.900 2.533 2.163 2.726 . 0 0 "[ . 1]" 1
191 1 36 LEU HA 1 37 LYS H 0.000 . 5.000 3.552 3.531 3.568 . 0 0 "[ . 1]" 1
192 1 36 LEU HA 1 39 CYS QB 0.000 . 6.000 4.305 3.393 4.909 . 0 0 "[ . 1]" 1
193 1 36 LEU HA 1 39 CYS H 0.000 . 5.000 3.391 3.156 3.585 . 0 0 "[ . 1]" 1
194 1 36 LEU QB 1 37 LYS HA 0.000 . 4.300 3.753 3.675 3.937 . 0 0 "[ . 1]" 1
195 1 36 LEU MD2 1 37 LYS HA 0.000 . 6.500 4.820 4.200 5.183 . 0 0 "[ . 1]" 1
196 1 36 LEU MD2 1 39 CYS QB 0.000 . 7.500 4.665 4.202 5.154 . 0 0 "[ . 1]" 1
197 1 36 LEU MD2 1 40 PRO HA 0.000 . 6.500 2.302 1.946 3.471 . 0 0 "[ . 1]" 1
198 1 36 LEU MD2 1 40 PRO QB 0.000 . 7.500 3.601 3.004 4.886 . 0 0 "[ . 1]" 1
199 1 36 LEU MD2 1 42 GLY QA 0.000 . 5.800 3.649 2.572 4.136 . 0 0 "[ . 1]" 1
200 1 36 LEU MD2 1 42 GLY H 0.000 . 6.500 4.598 3.380 5.254 . 0 0 "[ . 1]" 1
201 1 36 LEU H 1 37 LYS H 0.000 . 2.900 2.685 2.501 2.781 . 0 0 "[ . 1]" 1
202 1 37 LYS HA 1 38 GLU H 0.000 . 3.500 3.537 3.499 3.569 0.069 2 0 "[ . 1]" 1
203 1 37 LYS HA 1 40 PRO QD 0.000 . 6.000 4.351 3.729 4.845 . 0 0 "[ . 1]" 1
204 1 37 LYS HA 1 40 PRO QG 0.000 . 6.000 4.792 3.844 5.196 . 0 0 "[ . 1]" 1
205 1 37 LYS QB 1 38 GLU HA 0.000 . 4.300 3.793 3.621 3.916 . 0 0 "[ . 1]" 1
206 1 37 LYS QB 1 38 GLU H 0.000 . 6.000 2.547 2.264 3.121 . 0 0 "[ . 1]" 1
207 1 37 LYS H 1 38 GLU H 0.000 . 3.500 2.822 2.628 2.963 . 0 0 "[ . 1]" 1
208 1 38 GLU H 1 39 CYS H 0.000 . 2.900 2.635 2.451 2.853 . 0 0 "[ . 1]" 1
209 1 39 CYS HA 1 40 PRO QD 0.000 . 4.300 1.954 1.928 1.994 . 0 0 "[ . 1]" 1
210 1 39 CYS H 1 40 PRO QD 0.000 . 6.000 3.439 2.862 3.706 . 0 0 "[ . 1]" 1
211 1 40 PRO QB 1 41 SER H 0.000 . 6.000 3.252 1.684 3.846 . 0 0 "[ . 1]" 1
212 1 41 SER HA 1 42 GLY H 0.000 . 5.000 3.383 2.711 3.555 . 0 0 "[ . 1]" 1
213 1 41 SER QB 1 43 ARG QB 0.000 . 7.000 3.919 2.905 4.909 . 0 0 "[ . 1]" 1
214 1 41 SER H 1 42 GLY H 0.000 . 5.000 3.318 2.559 4.612 . 0 0 "[ . 1]" 1
215 1 42 GLY H 1 43 ARG H 0.000 . 3.500 2.600 1.650 3.555 0.055 1 0 "[ . 1]" 1
216 1 43 ARG HA 1 44 ILE H 0.000 . 2.900 2.153 2.113 2.194 . 0 0 "[ . 1]" 1
217 1 43 ARG HA 1 80 THR HB 0.000 . 3.300 3.257 2.959 3.375 0.075 8 0 "[ . 1]" 1
218 1 43 ARG HA 1 82 ASP HA 0.000 . 5.000 2.752 2.365 3.343 . 0 0 "[ . 1]" 1
219 1 43 ARG QB 1 44 ILE H 0.000 . 4.500 3.512 2.997 3.748 . 0 0 "[ . 1]" 1
220 1 43 ARG QB 1 80 THR HA 0.000 . 6.000 4.883 4.697 5.099 . 0 0 "[ . 1]" 1
221 1 43 ARG QB 1 80 THR HB 0.000 . 3.700 2.481 2.172 2.895 . 0 0 "[ . 1]" 1
222 1 43 ARG QB 1 80 THR MG 0.000 . 5.200 2.536 2.281 2.827 . 0 0 "[ . 1]" 1
223 1 43 ARG QB 1 82 ASP HA 0.000 . 6.000 4.795 4.472 5.392 . 0 0 "[ . 1]" 1
224 1 43 ARG QD 1 80 THR HB 0.000 . 6.000 3.933 3.067 4.590 . 0 0 "[ . 1]" 1
225 1 43 ARG QD 1 80 THR MG 0.000 . 5.800 3.578 2.839 4.237 . 0 0 "[ . 1]" 1
226 1 43 ARG QD 1 82 ASP HA 0.000 . 6.000 5.272 4.829 5.455 . 0 0 "[ . 1]" 1
227 1 43 ARG QD 1 82 ASP QB 0.000 . 7.000 5.276 4.708 5.652 . 0 0 "[ . 1]" 1
228 1 43 ARG QG 1 80 THR HB 0.000 . 4.300 2.866 2.213 3.651 . 0 0 "[ . 1]" 1
229 1 43 ARG QG 1 80 THR MG 0.000 . 5.800 3.515 2.359 4.187 . 0 0 "[ . 1]" 1
230 1 43 ARG QG 1 82 ASP HA 0.000 . 6.000 3.557 3.172 4.260 . 0 0 "[ . 1]" 1
231 1 43 ARG QG 1 82 ASP QB 0.000 . 7.000 4.046 3.416 4.373 . 0 0 "[ . 1]" 1
232 1 44 ILE HA 1 45 THR H 0.000 . 3.500 2.155 2.132 2.227 . 0 0 "[ . 1]" 1
233 1 44 ILE HB 1 81 LEU H 0.000 . 5.000 3.411 2.679 4.030 . 0 0 "[ . 1]" 1
234 1 44 ILE MD 1 49 PHE HA 0.000 . 6.500 4.934 3.890 5.326 . 0 0 "[ . 1]" 1
235 1 44 ILE MD 1 49 PHE QD 0.000 . 8.500 3.489 3.144 4.585 . 0 0 "[ . 1]" 1
236 1 44 ILE MD 1 52 ILE MD 0.000 . 6.300 3.587 2.634 4.013 . 0 0 "[ . 1]" 1
237 1 44 ILE MD 1 81 LEU MD1 0.000 . 8.000 4.305 3.119 5.132 . 0 0 "[ . 1]" 1
238 1 44 ILE MD 1 81 LEU MD2 0.000 . 8.000 3.700 2.976 5.302 . 0 0 "[ . 1]" 1
239 1 44 ILE MD 1 86 TYR QB 0.000 . 5.800 3.048 2.104 4.233 . 0 0 "[ . 1]" 1
240 1 44 ILE MD 1 86 TYR QD 0.000 . 6.800 2.450 1.968 3.631 . 0 0 "[ . 1]" 1
241 1 44 ILE MD 1 86 TYR QE 0.000 . 6.800 2.817 2.079 3.913 . 0 0 "[ . 1]" 1
242 1 44 ILE MG 1 49 PHE HA 0.000 . 4.800 3.419 2.625 3.884 . 0 0 "[ . 1]" 1
243 1 44 ILE MG 1 49 PHE QB 0.000 . 5.800 2.874 2.144 3.551 . 0 0 "[ . 1]" 1
244 1 44 ILE MG 1 49 PHE QD 0.000 . 6.800 2.274 1.935 2.767 . 0 0 "[ . 1]" 1
245 1 44 ILE MG 1 70 PHE QE 0.000 . 6.800 3.500 2.897 4.062 . 0 0 "[ . 1]" 1
246 1 44 ILE MG 1 81 LEU QB 0.000 . 7.500 3.616 2.754 5.396 . 0 0 "[ . 1]" 1
247 1 44 ILE MG 1 81 LEU MD1 0.000 . 8.000 4.067 3.274 5.512 . 0 0 "[ . 1]" 1
248 1 44 ILE MG 1 81 LEU MD2 0.000 . 6.300 3.683 2.279 4.264 . 0 0 "[ . 1]" 1
249 1 44 ILE MG 1 86 TYR QB 0.000 . 7.500 5.047 4.529 5.380 . 0 0 "[ . 1]" 1
250 1 44 ILE MG 1 86 TYR QD 0.000 . 8.500 3.811 3.383 4.510 . 0 0 "[ . 1]" 1
251 1 44 ILE H 1 45 THR H 0.000 . 5.000 4.490 4.385 4.616 . 0 0 "[ . 1]" 1
252 1 44 ILE H 1 80 THR HB 0.000 . 5.000 3.351 2.374 4.007 . 0 0 "[ . 1]" 1
253 1 44 ILE H 1 81 LEU H 0.000 . 5.000 3.414 2.715 3.944 . 0 0 "[ . 1]" 1
254 1 45 THR HA 1 46 ARG H 0.000 . 3.500 2.339 2.309 2.358 . 0 0 "[ . 1]" 1
255 1 45 THR HA 1 80 THR HA 0.000 . 5.000 3.953 3.481 4.483 . 0 0 "[ . 1]" 1
256 1 45 THR HA 1 80 THR HB 0.000 . 5.000 4.327 3.890 4.935 . 0 0 "[ . 1]" 1
257 1 45 THR HA 1 80 THR MG 0.000 . 4.200 2.769 2.134 3.317 . 0 0 "[ . 1]" 1
258 1 45 THR HB 1 48 GLU H 0.000 . 2.900 2.661 2.405 2.857 . 0 0 "[ . 1]" 1
259 1 45 THR HB 1 80 THR MG 0.000 . 6.500 4.924 4.509 5.305 . 0 0 "[ . 1]" 1
260 1 45 THR MG 1 46 ARG H 0.000 . 6.500 2.333 1.842 3.309 . 0 0 "[ . 1]" 1
261 1 45 THR MG 1 80 THR HA 0.000 . 6.500 4.810 4.392 5.301 . 0 0 "[ . 1]" 1
262 1 45 THR MG 1 80 THR HB 0.000 . 6.500 5.001 4.733 5.237 . 0 0 "[ . 1]" 1
263 1 45 THR H 1 48 GLU QB 0.000 . 6.000 2.756 2.230 2.917 . 0 0 "[ . 1]" 1
264 1 45 THR H 1 48 GLU H 0.000 . 5.000 4.182 3.704 4.546 . 0 0 "[ . 1]" 1
265 1 46 ARG HA 1 49 PHE QB 0.000 . 6.000 2.826 2.463 3.201 . 0 0 "[ . 1]" 1
266 1 46 ARG HA 1 49 PHE H 0.000 . 3.500 3.560 3.504 3.641 0.141 3 0 "[ . 1]" 1
267 1 46 ARG HA 1 70 PHE QB 0.000 . 6.000 4.003 3.389 5.334 . 0 0 "[ . 1]" 1
268 1 46 ARG QB 1 47 GLN H 0.000 . 6.000 2.272 1.918 3.411 . 0 0 "[ . 1]" 1
269 1 46 ARG QB 1 67 GLN QG 0.000 . 7.000 3.726 2.148 4.785 . 0 0 "[ . 1]" 1
270 1 46 ARG QD 1 67 GLN QG 0.000 . 5.300 2.985 2.158 4.109 . 0 0 "[ . 1]" 1
271 1 46 ARG QG 1 67 GLN HA 0.000 . 6.000 3.828 2.591 5.236 . 0 0 "[ . 1]" 1
272 1 46 ARG QG 1 67 GLN QG 0.000 . 7.000 2.969 2.020 4.180 . 0 0 "[ . 1]" 1
273 1 47 GLN HA 1 50 GLN QB 0.000 . 4.300 2.526 2.294 2.967 . 0 0 "[ . 1]" 1
274 1 47 GLN HA 1 50 GLN H 0.000 . 3.500 3.573 3.503 3.634 0.134 7 0 "[ . 1]" 1
275 1 47 GLN QB 1 48 GLU H 0.000 . 6.000 2.599 2.263 3.346 . 0 0 "[ . 1]" 1
276 1 47 GLN H 1 48 GLU H 0.000 . 5.000 2.963 2.783 3.117 . 0 0 "[ . 1]" 1
277 1 48 GLU HA 1 49 PHE H 0.000 . 3.500 3.574 3.563 3.581 0.081 4 0 "[ . 1]" 1
278 1 48 GLU HA 1 51 THR HB 0.000 . 3.300 3.227 2.947 3.368 0.068 10 0 "[ . 1]" 1
279 1 48 GLU HA 1 51 THR H 0.000 . 3.500 3.124 3.013 3.210 . 0 0 "[ . 1]" 1
280 1 48 GLU QB 1 49 PHE H 0.000 . 6.000 2.358 2.275 2.451 . 0 0 "[ . 1]" 1
281 1 48 GLU QG 1 51 THR H 0.000 . 3.900 3.870 3.849 3.922 0.022 6 0 "[ . 1]" 1
282 1 48 GLU H 1 49 PHE H 0.000 . 5.000 2.833 2.756 2.949 . 0 0 "[ . 1]" 1
283 1 49 PHE HA 1 50 GLN H 0.000 . 5.000 3.568 3.509 3.603 . 0 0 "[ . 1]" 1
284 1 49 PHE HA 1 52 ILE HB 0.000 . 5.000 3.147 2.828 3.523 . 0 0 "[ . 1]" 1
285 1 49 PHE HA 1 52 ILE MD 0.000 . 6.500 2.616 2.199 3.012 . 0 0 "[ . 1]" 1
286 1 49 PHE HA 1 52 ILE MG 0.000 . 6.500 4.458 4.316 4.709 . 0 0 "[ . 1]" 1
287 1 49 PHE HA 1 52 ILE H 0.000 . 3.500 3.117 2.936 3.286 . 0 0 "[ . 1]" 1
288 1 49 PHE QB 1 50 GLN H 0.000 . 6.000 2.490 2.266 2.781 . 0 0 "[ . 1]" 1
289 1 49 PHE QB 1 70 PHE QB 0.000 . 7.000 3.807 3.148 5.045 . 0 0 "[ . 1]" 1
290 1 49 PHE QB 1 81 LEU MD2 0.000 . 7.500 4.481 2.485 5.465 . 0 0 "[ . 1]" 1
291 1 49 PHE QD 1 52 ILE MD 0.000 . 8.500 3.148 2.477 3.672 . 0 0 "[ . 1]" 1
292 1 49 PHE QD 1 52 ILE MG 0.000 . 8.500 4.129 3.379 4.781 . 0 0 "[ . 1]" 1
293 1 49 PHE QD 1 66 ALA HA 0.000 . 7.000 4.699 3.876 5.680 . 0 0 "[ . 1]" 1
294 1 49 PHE QD 1 66 ALA MB 0.000 . 6.800 3.345 2.889 4.251 . 0 0 "[ . 1]" 1
295 1 49 PHE QD 1 81 LEU MD2 0.000 . 8.500 3.526 2.289 4.215 . 0 0 "[ . 1]" 1
296 1 49 PHE H 1 50 GLN H 0.000 . 3.500 2.838 2.743 2.961 . 0 0 "[ . 1]" 1
297 1 49 PHE HZ 1 90 LEU MD1 0.000 . 6.500 5.260 4.813 5.497 . 0 0 "[ . 1]" 1
298 1 50 GLN HA 1 51 THR H 0.000 . 5.000 3.490 3.474 3.506 . 0 0 "[ . 1]" 1
299 1 50 GLN HA 1 53 TYR QB 0.000 . 4.300 3.060 2.788 3.328 . 0 0 "[ . 1]" 1
300 1 50 GLN HA 1 53 TYR H 0.000 . 3.500 3.502 3.352 3.562 0.062 3 0 "[ . 1]" 1
301 1 50 GLN HA 1 66 ALA MB 0.000 . 4.800 2.490 2.055 2.791 . 0 0 "[ . 1]" 1
302 1 50 GLN QB 1 51 THR H 0.000 . 6.000 3.016 2.824 3.230 . 0 0 "[ . 1]" 1
303 1 50 GLN QG 1 51 THR H 0.000 . 4.500 3.542 2.569 4.291 . 0 0 "[ . 1]" 1
304 1 50 GLN QG 1 63 LYS HA 0.000 . 6.000 3.741 2.747 5.203 . 0 0 "[ . 1]" 1
305 1 50 GLN H 1 51 THR H 0.000 . 3.500 2.652 2.524 2.767 . 0 0 "[ . 1]" 1
306 1 50 GLN H 1 66 ALA MB 0.000 . 6.500 4.343 3.845 4.797 . 0 0 "[ . 1]" 1
307 1 50 GLN H 1 67 GLN QG 0.000 . 4.500 4.239 4.195 4.298 . 0 0 "[ . 1]" 1
308 1 51 THR HA 1 52 ILE H 0.000 . 3.500 3.509 3.490 3.542 0.042 5 0 "[ . 1]" 1
309 1 51 THR HA 1 54 SER QB 0.000 . 4.300 2.394 2.136 3.239 . 0 0 "[ . 1]" 1
310 1 51 THR HA 1 54 SER H 0.000 . 3.500 3.370 3.267 3.478 . 0 0 "[ . 1]" 1
311 1 51 THR HB 1 52 ILE MD 0.000 . 6.500 4.978 4.617 5.216 . 0 0 "[ . 1]" 1
312 1 51 THR HB 1 52 ILE H 0.000 . 3.500 2.707 2.499 2.845 . 0 0 "[ . 1]" 1
313 1 51 THR MG 1 52 ILE H 0.000 . 6.500 3.973 3.824 4.099 . 0 0 "[ . 1]" 1
314 1 51 THR H 1 52 ILE H 0.000 . 3.500 2.498 2.421 2.571 . 0 0 "[ . 1]" 1
315 1 52 ILE HA 1 55 LYS QB 0.000 . 4.300 2.991 2.637 3.289 . 0 0 "[ . 1]" 1
316 1 52 ILE HA 1 55 LYS QD 0.000 . 6.000 4.518 3.372 5.285 . 0 0 "[ . 1]" 1
317 1 52 ILE HA 1 55 LYS H 0.000 . 3.500 3.610 3.553 3.685 0.185 10 0 "[ . 1]" 1
318 1 52 ILE HA 1 56 PHE QD 0.000 . 7.000 3.557 2.913 4.324 . 0 0 "[ . 1]" 1
319 1 52 ILE HB 1 53 TYR H 0.000 . 3.500 2.272 2.174 2.438 . 0 0 "[ . 1]" 1
320 1 52 ILE MD 1 86 TYR QB 0.000 . 7.500 5.804 5.680 5.963 . 0 0 "[ . 1]" 1
321 1 52 ILE MD 1 86 TYR QE 0.000 . 8.500 2.753 2.382 2.929 . 0 0 "[ . 1]" 1
322 1 52 ILE MD 1 90 LEU MD1 0.000 . 8.000 5.347 5.136 5.481 . 0 0 "[ . 1]" 1
323 1 52 ILE MD 1 90 LEU MD2 0.000 . 8.000 4.739 4.468 4.920 . 0 0 "[ . 1]" 1
324 1 52 ILE MG 1 53 TYR HA 0.000 . 6.500 3.161 2.862 3.691 . 0 0 "[ . 1]" 1
325 1 52 ILE MG 1 53 TYR QB 0.000 . 7.500 4.062 3.820 4.650 . 0 0 "[ . 1]" 1
326 1 52 ILE MG 1 53 TYR QD 0.000 . 6.800 2.576 2.144 3.277 . 0 0 "[ . 1]" 1
327 1 52 ILE MG 1 53 TYR H 0.000 . 5.000 2.961 2.671 3.449 . 0 0 "[ . 1]" 1
328 1 52 ILE MG 1 56 PHE QD 0.000 . 8.500 3.286 2.202 3.822 . 0 0 "[ . 1]" 1
329 1 52 ILE MG 1 56 PHE QE 0.000 . 6.800 4.052 3.164 4.787 . 0 0 "[ . 1]" 1
330 1 52 ILE MG 1 86 TYR QE 0.000 . 6.800 4.480 4.234 4.660 . 0 0 "[ . 1]" 1
331 1 52 ILE MG 1 90 LEU MD2 0.000 . 8.000 5.167 4.826 5.373 . 0 0 "[ . 1]" 1
332 1 52 ILE H 1 53 TYR H 0.000 . 3.500 2.785 2.695 2.853 . 0 0 "[ . 1]" 1
333 1 53 TYR HA 1 56 PHE QB 0.000 . 6.000 3.379 3.125 3.584 . 0 0 "[ . 1]" 1
334 1 53 TYR HA 1 56 PHE H 0.000 . 3.500 3.511 3.367 3.620 0.120 8 0 "[ . 1]" 1
335 1 53 TYR HA 1 57 PHE QD 0.000 . 7.000 2.172 2.116 2.307 . 0 0 "[ . 1]" 1
336 1 53 TYR HA 1 57 PHE QE 0.000 . 7.000 2.312 2.137 2.816 . 0 0 "[ . 1]" 1
337 1 53 TYR QB 1 54 SER H 0.000 . 4.500 3.096 2.453 3.288 . 0 0 "[ . 1]" 1
338 1 53 TYR QB 1 62 PRO QB 0.000 . 7.000 2.851 2.270 3.546 . 0 0 "[ . 1]" 1
339 1 53 TYR QB 1 66 ALA MB 0.000 . 5.800 2.081 1.848 2.622 . 0 0 "[ . 1]" 1
340 1 53 TYR QD 1 57 PHE QB 0.000 . 8.000 4.210 3.732 4.812 . 0 0 "[ . 1]" 1
341 1 53 TYR QD 1 62 PRO HA 0.000 . 8.000 5.471 4.529 6.213 . 0 0 "[ . 1]" 1
342 1 53 TYR QD 1 66 ALA MB 0.000 . 8.500 2.938 2.485 3.454 . 0 0 "[ . 1]" 1
343 1 53 TYR QE 1 66 ALA MB 0.000 . 8.500 4.146 3.473 4.743 . 0 0 "[ . 1]" 1
344 1 53 TYR QE 1 69 VAL MG1 0.000 . 6.800 4.084 3.790 4.453 . 0 0 "[ . 1]" 1
345 1 53 TYR QE 1 90 LEU MD1 0.000 . 6.800 5.186 4.912 5.417 . 0 0 "[ . 1]" 1
346 1 53 TYR QE 1 93 THR MG 0.000 . 8.500 5.545 4.578 6.397 . 0 0 "[ . 1]" 1
347 1 53 TYR QE 1 132 MET ME 0.000 . 6.800 3.495 3.197 4.143 . 0 0 "[ . 1]" 1
348 1 53 TYR H 1 54 SER H 0.000 . 3.500 2.584 2.504 2.699 . 0 0 "[ . 1]" 1
349 1 54 SER HA 1 55 LYS H 0.000 . 5.000 3.391 3.358 3.453 . 0 0 "[ . 1]" 1
350 1 54 SER H 1 55 LYS H 0.000 . 3.500 2.278 2.162 2.691 . 0 0 "[ . 1]" 1
351 1 55 LYS HA 1 56 PHE H 0.000 . 5.000 3.509 3.459 3.557 . 0 0 "[ . 1]" 1
352 1 55 LYS H 1 56 PHE H 0.000 . 3.500 2.219 2.109 2.340 . 0 0 "[ . 1]" 1
353 1 56 PHE HA 1 57 PHE H 0.000 . 3.500 3.466 3.356 3.582 0.082 4 0 "[ . 1]" 1
354 1 56 PHE QB 1 57 PHE H 0.000 . 6.000 2.446 1.737 3.284 . 0 0 "[ . 1]" 1
355 1 56 PHE QD 1 57 PHE H 0.000 . 7.000 4.270 3.878 4.635 . 0 0 "[ . 1]" 1
356 1 57 PHE HA 1 58 PRO QD 0.000 . 4.300 2.119 1.988 2.346 . 0 0 "[ . 1]" 1
357 1 57 PHE HA 1 60 ALA MB 0.000 . 6.500 5.375 5.302 5.501 . 0 0 "[ . 1]" 1
358 1 57 PHE HA 1 132 MET ME 0.000 . 6.500 5.093 4.798 5.439 . 0 0 "[ . 1]" 1
359 1 57 PHE QB 1 60 ALA MB 0.000 . 5.800 3.622 3.070 3.884 . 0 0 "[ . 1]" 1
360 1 57 PHE QB 1 132 MET ME 0.000 . 5.800 3.373 2.761 3.902 . 0 0 "[ . 1]" 1
361 1 57 PHE QD 1 60 ALA MB 0.000 . 8.500 4.845 4.219 5.480 . 0 0 "[ . 1]" 1
362 1 57 PHE QD 1 132 MET ME 0.000 . 6.800 2.596 2.133 3.510 . 0 0 "[ . 1]" 1
363 1 57 PHE QE 1 90 LEU MD2 0.000 . 8.500 7.151 6.645 7.373 . 0 0 "[ . 1]" 1
364 1 57 PHE QE 1 132 MET ME 0.000 . 6.200 2.963 2.003 4.147 . 0 0 "[ . 1]" 1
365 1 57 PHE H 1 58 PRO QD 0.000 . 6.000 3.119 2.251 4.259 . 0 0 "[ . 1]" 1
366 1 58 PRO HA 1 59 GLU H 0.000 . 5.000 3.453 2.884 3.552 . 0 0 "[ . 1]" 1
367 1 58 PRO QD 1 59 GLU H 0.000 . 3.900 2.836 2.135 3.774 . 0 0 "[ . 1]" 1
368 1 59 GLU HA 1 60 ALA H 0.000 . 3.500 3.401 2.949 3.557 0.057 7 0 "[ . 1]" 1
369 1 59 GLU QB 1 60 ALA H 0.000 . 6.000 2.736 1.920 3.967 . 0 0 "[ . 1]" 1
370 1 59 GLU QG 1 60 ALA MB 0.000 . 7.500 4.770 3.771 5.480 . 0 0 "[ . 1]" 1
371 1 59 GLU H 1 60 ALA H 0.000 . 3.500 2.717 1.645 3.408 . 0 0 "[ . 1]" 1
372 1 60 ALA HA 1 61 ASP HA 0.000 . 6.000 4.567 4.536 4.619 . 0 0 "[ . 1]" 1
373 1 60 ALA HA 1 132 MET HA 0.000 . 5.000 4.688 4.256 4.866 . 0 0 "[ . 1]" 1
374 1 60 ALA MB 1 61 ASP H 0.000 . 4.400 1.696 1.569 1.868 . 0 0 "[ . 1]" 1
375 1 60 ALA MB 1 62 PRO QD 0.000 . 7.500 2.178 1.987 2.445 . 0 0 "[ . 1]" 1
376 1 60 ALA MB 1 131 LYS HA 0.000 . 6.500 4.783 4.586 5.231 . 0 0 "[ . 1]" 1
377 1 60 ALA MB 1 132 MET HA 0.000 . 4.800 2.137 2.022 2.223 . 0 0 "[ . 1]" 1
378 1 60 ALA MB 1 132 MET ME 0.000 . 6.300 4.020 3.683 4.183 . 0 0 "[ . 1]" 1
379 1 60 ALA MB 1 132 MET H 0.000 . 6.500 4.262 4.140 4.474 . 0 0 "[ . 1]" 1
380 1 60 ALA MB 1 133 ILE H 0.000 . 6.500 3.868 3.536 4.326 . 0 0 "[ . 1]" 1
381 1 60 ALA MB 1 134 SER QB 0.000 . 7.500 3.626 2.988 4.442 . 0 0 "[ . 1]" 1
382 1 60 ALA H 1 132 MET HA 0.000 . 5.000 5.163 5.092 5.300 0.300 4 0 "[ . 1]" 1
383 1 61 ASP HA 1 62 PRO HA 0.000 . 5.000 4.667 4.635 4.712 . 0 0 "[ . 1]" 1
384 1 61 ASP HA 1 62 PRO QD 0.000 . 4.300 2.146 2.069 2.332 . 0 0 "[ . 1]" 1
385 1 61 ASP HA 1 62 PRO QG 0.000 . 6.000 4.107 4.034 4.269 . 0 0 "[ . 1]" 1
386 1 61 ASP HA 1 63 LYS H 0.000 . 5.000 3.032 2.854 3.352 . 0 0 "[ . 1]" 1
387 1 61 ASP QB 1 62 PRO QD 0.000 . 7.000 3.699 3.680 3.725 . 0 0 "[ . 1]" 1
388 1 61 ASP QB 1 64 ALA H 0.000 . 6.000 4.575 3.925 5.151 . 0 0 "[ . 1]" 1
389 1 61 ASP QB 1 131 LYS QB 0.000 . 7.000 3.236 2.095 4.394 . 0 0 "[ . 1]" 1
390 1 61 ASP QB 1 131 LYS QG 0.000 . 7.000 3.563 2.158 5.015 . 0 0 "[ . 1]" 1
391 1 61 ASP H 1 131 LYS HA 0.000 . 5.000 4.903 4.524 5.024 0.024 6 0 "[ . 1]" 1
392 1 61 ASP H 1 132 MET HA 0.000 . 2.900 2.493 1.942 2.936 0.036 9 0 "[ . 1]" 1
393 1 62 PRO HA 1 63 LYS H 0.000 . 5.000 3.132 2.964 3.314 . 0 0 "[ . 1]" 1
394 1 62 PRO HA 1 132 MET HA 0.000 . 5.000 3.180 2.969 3.511 . 0 0 "[ . 1]" 1
395 1 62 PRO HA 1 132 MET ME 0.000 . 6.500 3.997 3.648 4.190 . 0 0 "[ . 1]" 1
396 1 62 PRO HA 1 132 MET QG 0.000 . 6.000 3.494 2.022 4.456 . 0 0 "[ . 1]" 1
397 1 62 PRO QB 1 64 ALA MB 0.000 . 7.500 5.390 5.185 5.532 . 0 0 "[ . 1]" 1
398 1 62 PRO QB 1 66 ALA MB 0.000 . 7.500 3.140 2.869 3.814 . 0 0 "[ . 1]" 1
399 1 62 PRO QB 1 132 MET ME 0.000 . 5.800 2.103 2.026 2.191 . 0 0 "[ . 1]" 1
400 1 62 PRO QG 1 63 LYS HA 0.000 . 6.000 5.015 4.531 5.246 . 0 0 "[ . 1]" 1
401 1 63 LYS HA 1 64 ALA H 0.000 . 5.000 3.553 3.498 3.575 . 0 0 "[ . 1]" 1
402 1 63 LYS HA 1 66 ALA MB 0.000 . 4.800 2.722 2.504 2.924 . 0 0 "[ . 1]" 1
403 1 63 LYS HA 1 66 ALA H 0.000 . 3.500 3.568 3.449 3.673 0.173 4 0 "[ . 1]" 1
404 1 63 LYS HA 1 67 GLN QG 0.000 . 6.000 4.461 3.757 5.156 . 0 0 "[ . 1]" 1
405 1 63 LYS QB 1 64 ALA HA 0.000 . 6.000 3.947 3.606 4.471 . 0 0 "[ . 1]" 1
406 1 63 LYS QB 1 64 ALA H 0.000 . 4.500 2.380 1.895 3.410 . 0 0 "[ . 1]" 1
407 1 63 LYS H 1 64 ALA H 0.000 . 3.500 3.013 2.624 3.235 . 0 0 "[ . 1]" 1
408 1 63 LYS H 1 132 MET HA 0.000 . 5.000 5.155 5.053 5.387 0.387 5 0 "[ . 1]" 1
409 1 64 ALA HA 1 67 GLN QB 0.000 . 4.300 2.894 2.657 3.329 . 0 0 "[ . 1]" 1
410 1 64 ALA HA 1 67 GLN QG 0.000 . 6.000 4.431 3.649 4.721 . 0 0 "[ . 1]" 1
411 1 64 ALA HA 1 67 GLN H 0.000 . 3.500 3.539 3.463 3.608 0.108 4 0 "[ . 1]" 1
412 1 64 ALA MB 1 65 TYR H 0.000 . 5.000 2.407 2.264 2.545 . 0 0 "[ . 1]" 1
413 1 64 ALA MB 1 67 GLN QB 0.000 . 7.500 4.288 3.956 4.631 . 0 0 "[ . 1]" 1
414 1 64 ALA MB 1 68 HIS HD2 0.000 . 6.500 2.776 2.435 3.557 . 0 0 "[ . 1]" 1
415 1 64 ALA MB 1 127 THR MG 0.000 . 8.000 4.399 3.701 4.991 . 0 0 "[ . 1]" 1
416 1 64 ALA MB 1 128 ALA MB 0.000 . 5.700 2.047 1.833 2.243 . 0 0 "[ . 1]" 1
417 1 64 ALA MB 1 131 LYS QE 0.000 . 7.500 4.036 2.444 5.074 . 0 0 "[ . 1]" 1
418 1 64 ALA H 1 65 TYR H 0.000 . 5.000 2.718 2.486 2.997 . 0 0 "[ . 1]" 1
419 1 64 ALA H 1 128 ALA MB 0.000 . 6.500 4.426 4.105 4.625 . 0 0 "[ . 1]" 1
420 1 65 TYR HA 1 66 ALA H 0.000 . 5.000 3.529 3.455 3.591 . 0 0 "[ . 1]" 1
421 1 65 TYR HA 1 68 HIS QB 0.000 . 4.300 2.207 2.116 2.705 . 0 0 "[ . 1]" 1
422 1 65 TYR HA 1 68 HIS H 0.000 . 3.500 3.331 3.144 3.542 0.042 2 0 "[ . 1]" 1
423 1 65 TYR HA 1 128 ALA MB 0.000 . 4.800 2.758 2.457 3.202 . 0 0 "[ . 1]" 1
424 1 65 TYR QB 1 66 ALA H 0.000 . 6.000 2.538 1.999 2.910 . 0 0 "[ . 1]" 1
425 1 65 TYR QB 1 68 HIS H 0.000 . 6.000 4.809 4.694 4.978 . 0 0 "[ . 1]" 1
426 1 65 TYR QB 1 128 ALA MB 0.000 . 5.800 2.888 2.548 3.285 . 0 0 "[ . 1]" 1
427 1 65 TYR QB 1 132 MET ME 0.000 . 5.800 3.618 3.068 3.887 . 0 0 "[ . 1]" 1
428 1 65 TYR QD 1 66 ALA HA 0.000 . 7.000 3.430 2.885 4.070 . 0 0 "[ . 1]" 1
429 1 65 TYR QD 1 66 ALA MB 0.000 . 8.500 3.862 3.467 4.140 . 0 0 "[ . 1]" 1
430 1 65 TYR QD 1 66 ALA H 0.000 . 7.000 3.552 3.134 3.976 . 0 0 "[ . 1]" 1
431 1 65 TYR QD 1 69 VAL MG2 0.000 . 6.800 4.422 2.767 5.033 . 0 0 "[ . 1]" 1
432 1 65 TYR QD 1 125 ILE MG 0.000 . 8.500 3.691 3.077 4.425 . 0 0 "[ . 1]" 1
433 1 65 TYR QD 1 128 ALA MB 0.000 . 6.200 3.425 2.715 4.073 . 0 0 "[ . 1]" 1
434 1 65 TYR QD 1 129 ILE MD 0.000 . 8.500 4.162 3.608 5.105 . 0 0 "[ . 1]" 1
435 1 65 TYR QE 1 69 VAL MG1 0.000 . 6.800 4.303 2.360 4.976 . 0 0 "[ . 1]" 1
436 1 65 TYR QE 1 108 LEU MD2 0.000 . 8.500 3.506 3.106 4.031 . 0 0 "[ . 1]" 1
437 1 65 TYR QE 1 128 ALA MB 0.000 . 8.500 5.215 4.467 5.849 . 0 0 "[ . 1]" 1
438 1 65 TYR QE 1 129 ILE HA 0.000 . 7.000 5.460 4.788 6.131 . 0 0 "[ . 1]" 1
439 1 65 TYR QE 1 129 ILE MD 0.000 . 8.500 4.044 3.254 5.406 . 0 0 "[ . 1]" 1
440 1 65 TYR QE 1 129 ILE MG 0.000 . 8.500 5.419 4.901 6.069 . 0 0 "[ . 1]" 1
441 1 65 TYR H 1 66 ALA H 0.000 . 5.000 2.686 2.564 2.974 . 0 0 "[ . 1]" 1
442 1 65 TYR H 1 128 ALA MB 0.000 . 6.500 2.961 2.570 3.534 . 0 0 "[ . 1]" 1
443 1 65 TYR H 1 131 LYS QG 0.000 . 6.000 5.127 4.627 5.380 . 0 0 "[ . 1]" 1
444 1 66 ALA HA 1 69 VAL HB 0.000 . 3.300 3.331 2.628 4.035 0.735 4 1 "[ +. 1]" 1
445 1 66 ALA HA 1 69 VAL MG1 0.000 . 6.500 3.053 1.914 4.208 . 0 0 "[ . 1]" 1
446 1 66 ALA HA 1 69 VAL MG2 0.000 . 6.500 3.994 2.108 4.669 . 0 0 "[ . 1]" 1
447 1 66 ALA HA 1 69 VAL H 0.000 . 3.500 3.507 3.173 3.576 0.076 10 0 "[ . 1]" 1
448 1 66 ALA MB 1 67 GLN H 0.000 . 5.000 2.459 2.097 2.794 . 0 0 "[ . 1]" 1
449 1 66 ALA MB 1 132 MET ME 0.000 . 8.000 5.070 4.703 5.278 . 0 0 "[ . 1]" 1
450 1 66 ALA H 1 67 GLN H 0.000 . 3.500 2.689 2.548 2.905 . 0 0 "[ . 1]" 1
451 1 67 GLN HA 1 68 HIS H 0.000 . 3.500 3.435 3.363 3.515 0.015 8 0 "[ . 1]" 1
452 1 67 GLN HA 1 70 PHE QB 0.000 . 4.300 2.469 2.171 2.775 . 0 0 "[ . 1]" 1
453 1 67 GLN HA 1 70 PHE H 0.000 . 3.500 3.346 3.147 3.561 0.061 4 0 "[ . 1]" 1
454 1 67 GLN QB 1 68 HIS H 0.000 . 4.500 2.935 2.680 3.138 . 0 0 "[ . 1]" 1
455 1 67 GLN H 1 68 HIS HD2 0.000 . 5.000 5.117 4.992 5.214 0.214 2 0 "[ . 1]" 1
456 1 67 GLN H 1 68 HIS H 0.000 . 3.500 2.405 2.322 2.524 . 0 0 "[ . 1]" 1
457 1 68 HIS HA 1 69 VAL H 0.000 . 5.000 3.557 3.516 3.589 . 0 0 "[ . 1]" 1
458 1 68 HIS HA 1 71 ARG QB 0.000 . 4.300 3.129 2.849 3.468 . 0 0 "[ . 1]" 1
459 1 68 HIS HA 1 71 ARG H 0.000 . 3.500 3.442 3.230 3.544 0.044 6 0 "[ . 1]" 1
460 1 68 HIS HA 1 108 LEU MD2 0.000 . 6.500 4.222 3.903 4.640 . 0 0 "[ . 1]" 1
461 1 68 HIS QB 1 108 LEU MD2 0.000 . 5.800 2.400 2.017 2.791 . 0 0 "[ . 1]" 1
462 1 68 HIS QB 1 125 ILE HA 0.000 . 6.000 4.452 4.169 4.695 . 0 0 "[ . 1]" 1
463 1 68 HIS QB 1 125 ILE MD 0.000 . 7.500 3.314 2.422 4.763 . 0 0 "[ . 1]" 1
464 1 68 HIS QB 1 128 ALA MB 0.000 . 5.800 3.759 3.480 4.062 . 0 0 "[ . 1]" 1
465 1 68 HIS HD2 1 108 LEU MD2 0.000 . 6.500 5.026 4.393 5.368 . 0 0 "[ . 1]" 1
466 1 68 HIS HD2 1 125 ILE HA 0.000 . 5.000 3.797 3.370 4.248 . 0 0 "[ . 1]" 1
467 1 68 HIS HD2 1 125 ILE MD 0.000 . 6.500 4.208 3.518 5.446 . 0 0 "[ . 1]" 1
468 1 68 HIS HD2 1 128 ALA MB 0.000 . 4.200 2.040 1.910 2.218 . 0 0 "[ . 1]" 1
469 1 68 HIS HD2 1 129 ILE H 0.000 . 5.000 5.135 5.035 5.232 0.232 2 0 "[ . 1]" 1
470 1 68 HIS HE1 1 111 VAL MG1 0.000 . 4.800 2.633 2.145 3.605 . 0 0 "[ . 1]" 1
471 1 68 HIS HE1 1 111 VAL MG2 0.000 . 4.200 3.206 2.920 3.340 . 0 0 "[ . 1]" 1
472 1 68 HIS HE1 1 124 GLU QG 0.000 . 4.300 3.090 2.175 4.001 . 0 0 "[ . 1]" 1
473 1 68 HIS HE1 1 125 ILE MD 0.000 . 6.500 3.564 2.766 4.639 . 0 0 "[ . 1]" 1
474 1 68 HIS H 1 69 VAL H 0.000 . 3.500 2.550 2.462 2.623 . 0 0 "[ . 1]" 1
475 1 69 VAL HA 1 72 SER QB 0.000 . 4.300 2.369 2.099 2.853 . 0 0 "[ . 1]" 1
476 1 69 VAL HA 1 72 SER H 0.000 . 3.500 3.284 3.130 3.585 0.085 7 0 "[ . 1]" 1
477 1 69 VAL HA 1 108 LEU HA 0.000 . 5.000 4.327 4.003 4.628 . 0 0 "[ . 1]" 1
478 1 69 VAL HA 1 108 LEU MD2 0.000 . 4.800 2.890 2.193 3.854 . 0 0 "[ . 1]" 1
479 1 69 VAL MG1 1 70 PHE H 0.000 . 6.500 2.248 1.649 3.450 . 0 0 "[ . 1]" 1
480 1 69 VAL MG1 1 72 SER H 0.000 . 6.500 4.410 4.021 5.218 . 0 0 "[ . 1]" 1
481 1 69 VAL MG1 1 81 LEU MD1 0.000 . 8.000 4.315 3.442 6.025 . 0 0 "[ . 1]" 1
482 1 69 VAL MG2 1 70 PHE H 0.000 . 6.500 3.755 1.987 4.098 . 0 0 "[ . 1]" 1
483 1 69 VAL MG2 1 89 ALA MB 0.000 . 8.000 3.958 3.227 5.158 . 0 0 "[ . 1]" 1
484 1 70 PHE HA 1 71 ARG H 0.000 . 5.000 3.564 3.541 3.582 . 0 0 "[ . 1]" 1
485 1 70 PHE HA 1 73 PHE QB 0.000 . 6.000 5.430 5.134 5.618 . 0 0 "[ . 1]" 1
486 1 70 PHE HA 1 73 PHE H 0.000 . 3.500 3.651 3.613 3.718 0.218 1 0 "[ . 1]" 1
487 1 70 PHE HA 1 74 ASP H 0.000 . 5.000 3.893 3.146 4.846 . 0 0 "[ . 1]" 1
488 1 70 PHE HA 1 81 LEU MD1 0.000 . 6.500 2.983 2.128 3.872 . 0 0 "[ . 1]" 1
489 1 70 PHE HA 1 81 LEU MD2 0.000 . 6.500 4.244 3.357 4.885 . 0 0 "[ . 1]" 1
490 1 70 PHE QD 1 71 ARG HA 0.000 . 7.000 3.193 2.345 4.165 . 0 0 "[ . 1]" 1
491 1 70 PHE QD 1 71 ARG H 0.000 . 4.900 3.283 2.448 3.954 . 0 0 "[ . 1]" 1
492 1 70 PHE QD 1 81 LEU MD2 0.000 . 8.500 3.721 2.437 4.766 . 0 0 "[ . 1]" 1
493 1 70 PHE QE 1 71 ARG HA 0.000 . 7.000 4.837 3.612 6.094 . 0 0 "[ . 1]" 1
494 1 70 PHE QE 1 80 THR H 0.000 . 7.000 5.607 3.986 6.500 . 0 0 "[ . 1]" 1
495 1 70 PHE QE 1 81 LEU MD2 0.000 . 8.500 3.256 1.918 5.083 . 0 0 "[ . 1]" 1
496 1 70 PHE QE 1 81 LEU H 0.000 . 7.000 3.607 3.052 4.104 . 0 0 "[ . 1]" 1
497 1 70 PHE H 1 71 ARG H 0.000 . 5.000 2.893 2.775 3.013 . 0 0 "[ . 1]" 1
498 1 70 PHE HZ 1 80 THR HA 0.000 . 3.300 2.821 2.174 3.370 0.070 4 0 "[ . 1]" 1
499 1 70 PHE HZ 1 80 THR HB 0.000 . 5.000 4.926 4.651 5.060 0.060 7 0 "[ . 1]" 1
500 1 71 ARG HA 1 74 ASP QB 0.000 . 6.000 3.278 2.388 4.872 . 0 0 "[ . 1]" 1
501 1 71 ARG QB 1 75 ALA MB 0.000 . 5.800 4.072 3.827 4.304 . 0 0 "[ . 1]" 1
502 1 71 ARG QD 1 75 ALA MB 0.000 . 5.800 3.618 2.286 4.249 . 0 0 "[ . 1]" 1
503 1 71 ARG H 1 72 SER H 0.000 . 5.000 2.631 2.509 2.784 . 0 0 "[ . 1]" 1
504 1 72 SER HA 1 108 LEU HA 0.000 . 5.000 2.944 2.382 3.880 . 0 0 "[ . 1]" 1
505 1 72 SER QB 1 108 LEU MD2 0.000 . 7.500 2.775 2.101 3.511 . 0 0 "[ . 1]" 1
506 1 72 SER H 1 73 PHE H 0.000 . 5.000 2.643 2.397 2.863 . 0 0 "[ . 1]" 1
507 1 72 SER H 1 108 LEU QB 0.000 . 6.000 5.286 5.154 5.471 . 0 0 "[ . 1]" 1
508 1 73 PHE HA 1 74 ASP H 0.000 . 5.000 3.217 2.761 3.541 . 0 0 "[ . 1]" 1
509 1 73 PHE QB 1 81 LEU MD1 0.000 . 7.500 4.589 3.913 5.349 . 0 0 "[ . 1]" 1
510 1 73 PHE QD 1 81 LEU MD1 0.000 . 8.500 3.047 2.154 4.003 . 0 0 "[ . 1]" 1
511 1 73 PHE QD 1 81 LEU MD2 0.000 . 8.500 3.725 2.130 6.218 . 0 0 "[ . 1]" 1
512 1 73 PHE QD 1 88 ILE MG 0.000 . 8.500 4.446 3.617 5.056 . 0 0 "[ . 1]" 1
513 1 73 PHE QD 1 89 ALA MB 0.000 . 8.500 3.264 2.633 3.871 . 0 0 "[ . 1]" 1
514 1 73 PHE QE 1 76 ASN QB 0.000 . 8.000 6.453 5.779 6.739 . 0 0 "[ . 1]" 1
515 1 73 PHE QE 1 89 ALA MB 0.000 . 8.500 2.641 2.065 3.087 . 0 0 "[ . 1]" 1
516 1 73 PHE H 1 74 ASP H 0.000 . 5.000 2.229 1.913 2.621 . 0 0 "[ . 1]" 1
517 1 74 ASP HA 1 75 ALA MB 0.000 . 6.500 4.859 4.627 4.955 . 0 0 "[ . 1]" 1
518 1 74 ASP HA 1 75 ALA H 0.000 . 2.900 3.297 2.928 3.445 0.545 4 3 "[* +. -]" 1
519 1 74 ASP HA 1 81 LEU MD1 0.000 . 4.800 3.407 2.472 3.826 . 0 0 "[ . 1]" 1
520 1 74 ASP QB 1 75 ALA H 0.000 . 6.000 2.794 2.110 3.767 . 0 0 "[ . 1]" 1
521 1 74 ASP QB 1 81 LEU MD1 0.000 . 7.500 2.185 1.880 3.027 . 0 0 "[ . 1]" 1
522 1 74 ASP H 1 75 ALA H 0.000 . 5.000 2.186 1.606 2.914 . 0 0 "[ . 1]" 1
523 1 74 ASP H 1 81 LEU MD1 0.000 . 6.500 4.029 3.644 4.622 . 0 0 "[ . 1]" 1
524 1 75 ALA HA 1 76 ASN H 0.000 . 3.500 3.073 2.981 3.185 . 0 0 "[ . 1]" 1
525 1 75 ALA HA 1 78 ASP QB 0.000 . 6.000 4.843 4.211 5.462 . 0 0 "[ . 1]" 1
526 1 75 ALA MB 1 76 ASN HA 0.000 . 6.500 4.055 3.950 4.152 . 0 0 "[ . 1]" 1
527 1 75 ALA MB 1 76 ASN QB 0.000 . 7.500 4.557 4.462 4.670 . 0 0 "[ . 1]" 1
528 1 75 ALA MB 1 76 ASN H 0.000 . 4.400 3.402 3.336 3.480 . 0 0 "[ . 1]" 1
529 1 75 ALA H 1 76 ASN H 0.000 . 3.500 2.652 2.405 2.823 . 0 0 "[ . 1]" 1
530 1 75 ALA H 1 81 LEU MD1 0.000 . 6.500 5.259 4.867 5.449 . 0 0 "[ . 1]" 1
531 1 76 ASN HA 1 77 SER H 0.000 . 5.000 2.771 2.466 2.987 . 0 0 "[ . 1]" 1
532 1 76 ASN H 1 77 SER H 0.000 . 5.000 3.427 3.038 4.619 . 0 0 "[ . 1]" 1
533 1 77 SER HA 1 78 ASP H 0.000 . 5.000 2.564 2.384 3.010 . 0 0 "[ . 1]" 1
534 1 77 SER HA 1 79 GLY H 0.000 . 5.000 4.795 4.000 5.111 0.111 7 0 "[ . 1]" 1
535 1 77 SER QB 1 78 ASP H 0.000 . 4.500 3.909 3.629 4.031 . 0 0 "[ . 1]" 1
536 1 77 SER H 1 78 ASP H 0.000 . 3.500 2.949 2.533 3.305 . 0 0 "[ . 1]" 1
537 1 78 ASP HA 1 79 GLY H 0.000 . 5.000 3.285 2.218 3.581 . 0 0 "[ . 1]" 1
538 1 78 ASP H 1 79 GLY H 0.000 . 3.500 2.637 1.771 3.535 0.035 3 0 "[ . 1]" 1
539 1 79 GLY QA 1 80 THR H 0.000 . 6.000 2.773 2.648 2.891 . 0 0 "[ . 1]" 1
540 1 79 GLY H 1 80 THR H 0.000 . 2.900 2.615 2.121 2.952 0.052 7 0 "[ . 1]" 1
541 1 80 THR HA 1 81 LEU HG 0.000 . 5.000 5.162 4.984 5.306 0.306 5 0 "[ . 1]" 1
542 1 80 THR HA 1 81 LEU H 0.000 . 3.500 2.342 2.283 2.418 . 0 0 "[ . 1]" 1
543 1 80 THR HB 1 81 LEU H 0.000 . 3.500 2.694 2.580 2.861 . 0 0 "[ . 1]" 1
544 1 80 THR MG 1 81 LEU H 0.000 . 6.500 3.482 3.016 3.840 . 0 0 "[ . 1]" 1
545 1 81 LEU HA 1 82 ASP H 0.000 . 3.500 2.152 2.062 2.197 . 0 0 "[ . 1]" 1
546 1 81 LEU MD1 1 82 ASP H 0.000 . 6.500 4.727 3.656 5.235 . 0 0 "[ . 1]" 1
547 1 81 LEU MD1 1 85 GLU QB 0.000 . 7.500 3.452 2.144 4.108 . 0 0 "[ . 1]" 1
548 1 81 LEU MD1 1 85 GLU QG 0.000 . 7.500 4.801 2.191 5.623 . 0 0 "[ . 1]" 1
549 1 81 LEU MD1 1 89 ALA MB 0.000 . 8.000 4.272 3.704 4.890 . 0 0 "[ . 1]" 1
550 1 81 LEU MD2 1 85 GLU QB 0.000 . 7.500 3.260 1.857 5.274 . 0 0 "[ . 1]" 1
551 1 81 LEU MD2 1 86 TYR HA 0.000 . 6.500 4.262 2.685 5.635 . 0 0 "[ . 1]" 1
552 1 81 LEU MD2 1 86 TYR QB 0.000 . 7.500 4.280 3.162 5.453 . 0 0 "[ . 1]" 1
553 1 82 ASP HA 1 83 PHE H 0.000 . 3.500 2.369 2.274 2.427 . 0 0 "[ . 1]" 1
554 1 82 ASP QB 1 83 PHE H 0.000 . 4.500 2.952 2.558 3.536 . 0 0 "[ . 1]" 1
555 1 83 PHE HA 1 86 TYR QB 0.000 . 6.000 2.232 2.054 2.448 . 0 0 "[ . 1]" 1
556 1 83 PHE HA 1 86 TYR H 0.000 . 3.500 3.247 2.863 3.534 0.034 6 0 "[ . 1]" 1
557 1 83 PHE QB 1 84 LYS H 0.000 . 4.500 2.497 2.147 3.053 . 0 0 "[ . 1]" 1
558 1 83 PHE QD 1 84 LYS H 0.000 . 7.000 3.645 2.978 4.285 . 0 0 "[ . 1]" 1
559 1 83 PHE QE 1 87 VAL MG1 0.000 . 6.800 4.305 4.074 4.772 . 0 0 "[ . 1]" 1
560 1 83 PHE H 1 84 LYS H 0.000 . 5.000 2.913 2.850 3.049 . 0 0 "[ . 1]" 1
561 1 84 LYS HA 1 85 GLU H 0.000 . 5.000 3.563 3.522 3.587 . 0 0 "[ . 1]" 1
562 1 84 LYS HA 1 87 VAL HB 0.000 . 5.000 3.404 3.137 3.745 . 0 0 "[ . 1]" 1
563 1 84 LYS HA 1 87 VAL MG1 0.000 . 6.500 4.729 4.467 5.045 . 0 0 "[ . 1]" 1
564 1 84 LYS HA 1 87 VAL H 0.000 . 3.500 3.569 3.531 3.629 0.129 6 0 "[ . 1]" 1
565 1 84 LYS HA 1 88 ILE MD 0.000 . 6.500 5.135 3.680 5.386 . 0 0 "[ . 1]" 1
566 1 84 LYS HA 1 88 ILE QG 0.000 . 6.000 4.413 4.168 5.298 . 0 0 "[ . 1]" 1
567 1 84 LYS QB 1 85 GLU H 0.000 . 6.000 2.336 1.827 2.654 . 0 0 "[ . 1]" 1
568 1 84 LYS QB 1 87 VAL H 0.000 . 6.000 5.100 4.995 5.187 . 0 0 "[ . 1]" 1
569 1 84 LYS QE 1 88 ILE MD 0.000 . 5.800 3.156 2.459 3.734 . 0 0 "[ . 1]" 1
570 1 84 LYS QG 1 88 ILE MD 0.000 . 5.800 3.352 2.856 3.879 . 0 0 "[ . 1]" 1
571 1 84 LYS H 1 85 GLU H 0.000 . 3.500 2.970 2.796 3.179 . 0 0 "[ . 1]" 1
572 1 85 GLU HA 1 88 ILE HB 0.000 . 5.000 2.682 2.389 2.885 . 0 0 "[ . 1]" 1
573 1 85 GLU HA 1 88 ILE MD 0.000 . 4.800 3.741 3.005 4.148 . 0 0 "[ . 1]" 1
574 1 85 GLU HA 1 88 ILE H 0.000 . 3.500 3.354 3.201 3.564 0.064 8 0 "[ . 1]" 1
575 1 85 GLU H 1 86 TYR H 0.000 . 3.500 2.622 2.349 2.733 . 0 0 "[ . 1]" 1
576 1 86 TYR HA 1 87 VAL H 0.000 . 3.500 3.559 3.532 3.582 0.082 6 0 "[ . 1]" 1
577 1 86 TYR HA 1 89 ALA MB 0.000 . 4.800 2.967 2.760 3.132 . 0 0 "[ . 1]" 1
578 1 86 TYR HA 1 89 ALA H 0.000 . 3.500 3.579 3.445 3.669 0.169 2 0 "[ . 1]" 1
579 1 86 TYR HA 1 90 LEU MD1 0.000 . 6.500 6.188 5.801 6.469 . 0 0 "[ . 1]" 1
580 1 86 TYR QD 1 87 VAL HA 0.000 . 7.000 3.592 3.188 4.167 . 0 0 "[ . 1]" 1
581 1 86 TYR QD 1 87 VAL H 0.000 . 7.000 3.831 3.435 4.036 . 0 0 "[ . 1]" 1
582 1 86 TYR QD 1 90 LEU MD2 0.000 . 6.800 3.129 2.726 3.586 . 0 0 "[ . 1]" 1
583 1 86 TYR H 1 87 VAL H 0.000 . 5.000 2.738 2.541 2.982 . 0 0 "[ . 1]" 1
584 1 87 VAL HA 1 90 LEU QB 0.000 . 4.300 2.485 2.176 2.830 . 0 0 "[ . 1]" 1
585 1 87 VAL HA 1 90 LEU MD1 0.000 . 6.500 5.024 4.393 5.363 . 0 0 "[ . 1]" 1
586 1 87 VAL HA 1 90 LEU MD2 0.000 . 6.500 3.788 3.440 4.037 . 0 0 "[ . 1]" 1
587 1 87 VAL HA 1 90 LEU HG 0.000 . 5.000 3.927 3.143 4.414 . 0 0 "[ . 1]" 1
588 1 87 VAL HA 1 90 LEU H 0.000 . 3.500 3.386 3.124 3.549 0.049 3 0 "[ . 1]" 1
589 1 87 VAL MG1 1 91 HIS HD1 0.000 . 6.500 4.616 3.492 5.366 . 0 0 "[ . 1]" 1
590 1 87 VAL H 1 88 ILE H 0.000 . 3.500 2.652 2.489 2.910 . 0 0 "[ . 1]" 1
591 1 88 ILE HA 1 89 ALA HA 0.000 . 5.000 4.742 4.715 4.780 . 0 0 "[ . 1]" 1
592 1 88 ILE HA 1 89 ALA H 0.000 . 5.000 3.550 3.512 3.587 . 0 0 "[ . 1]" 1
593 1 88 ILE HA 1 91 HIS QB 0.000 . 6.000 2.627 2.185 3.377 . 0 0 "[ . 1]" 1
594 1 88 ILE HA 1 92 MET ME 0.000 . 4.800 3.926 3.834 4.053 . 0 0 "[ . 1]" 1
595 1 88 ILE HB 1 89 ALA H 0.000 . 3.500 2.645 2.364 2.808 . 0 0 "[ . 1]" 1
596 1 88 ILE MD 1 92 MET ME 0.000 . 8.000 3.701 2.988 4.691 . 0 0 "[ . 1]" 1
597 1 88 ILE MG 1 89 ALA H 0.000 . 6.500 3.433 2.782 3.687 . 0 0 "[ . 1]" 1
598 1 88 ILE MG 1 92 MET ME 0.000 . 5.700 2.184 2.089 2.311 . 0 0 "[ . 1]" 1
599 1 88 ILE MG 1 104 TRP HD1 0.000 . 6.500 4.770 4.349 5.369 . 0 0 "[ . 1]" 1
600 1 88 ILE MG 1 104 TRP HE1 0.000 . 6.500 4.166 3.069 5.144 . 0 0 "[ . 1]" 1
601 1 89 ALA HA 1 92 MET QB 0.000 . 4.300 2.920 2.543 3.412 . 0 0 "[ . 1]" 1
602 1 89 ALA HA 1 92 MET H 0.000 . 3.500 3.490 3.380 3.608 0.108 5 0 "[ . 1]" 1
603 1 89 ALA MB 1 90 LEU H 0.000 . 6.500 2.363 2.140 2.702 . 0 0 "[ . 1]" 1
604 1 89 ALA H 1 90 LEU H 0.000 . 3.500 2.594 2.499 2.698 . 0 0 "[ . 1]" 1
605 1 90 LEU MD1 1 93 THR HB 0.000 . 6.500 4.346 3.937 5.300 . 0 0 "[ . 1]" 1
606 1 90 LEU MD2 1 93 THR HB 0.000 . 6.500 5.036 4.369 5.331 . 0 0 "[ . 1]" 1
607 1 90 LEU H 1 91 HIS H 0.000 . 5.000 2.585 2.466 2.727 . 0 0 "[ . 1]" 1
608 1 91 HIS HA 1 95 ALA MB 0.000 . 6.500 3.428 2.684 4.262 . 0 0 "[ . 1]" 1
609 1 91 HIS HD1 1 92 MET ME 0.000 . 6.500 4.436 2.755 5.434 . 0 0 "[ . 1]" 1
610 1 91 HIS HD2 1 95 ALA MB 0.000 . 6.500 3.353 2.151 4.997 . 0 0 "[ . 1]" 1
611 1 91 HIS HE1 1 95 ALA MB 0.000 . 6.500 3.588 2.442 5.313 . 0 0 "[ . 1]" 1
612 1 91 HIS H 1 92 MET H 0.000 . 3.500 2.519 2.302 2.714 . 0 0 "[ . 1]" 1
613 1 92 MET HA 1 95 ALA MB 0.000 . 4.800 3.650 3.263 3.862 . 0 0 "[ . 1]" 1
614 1 92 MET HA 1 101 LYS QE 0.000 . 6.000 4.319 2.963 5.307 . 0 0 "[ . 1]" 1
615 1 92 MET ME 1 95 ALA MB 0.000 . 8.000 5.267 5.096 5.450 . 0 0 "[ . 1]" 1
616 1 92 MET ME 1 101 LYS HA 0.000 . 4.800 3.964 3.802 4.086 . 0 0 "[ . 1]" 1
617 1 92 MET ME 1 104 TRP HA 0.000 . 6.500 5.268 5.024 5.347 . 0 0 "[ . 1]" 1
618 1 92 MET ME 1 104 TRP QB 0.000 . 5.800 3.286 3.056 3.543 . 0 0 "[ . 1]" 1
619 1 92 MET ME 1 104 TRP HD1 0.000 . 6.500 4.102 3.197 5.130 . 0 0 "[ . 1]" 1
620 1 92 MET H 1 93 THR H 0.000 . 5.000 2.645 2.333 2.827 . 0 0 "[ . 1]" 1
621 1 93 THR HA 1 94 SER H 0.000 . 5.000 3.288 2.930 3.549 . 0 0 "[ . 1]" 1
622 1 94 SER QB 1 95 ALA H 0.000 . 6.000 2.823 1.796 4.045 . 0 0 "[ . 1]" 1
623 1 95 ALA HA 1 96 GLY QA 0.000 . 6.000 4.130 3.922 4.492 . 0 0 "[ . 1]" 1
624 1 95 ALA MB 1 96 GLY QA 0.000 . 7.500 3.596 3.316 3.897 . 0 0 "[ . 1]" 1
625 1 101 LYS HA 1 104 TRP QB 0.000 . 4.300 3.147 2.665 3.844 . 0 0 "[ . 1]" 1
626 1 101 LYS HA 1 104 TRP H 0.000 . 3.500 3.413 3.247 3.545 0.045 7 0 "[ . 1]" 1
627 1 102 LEU HA 1 105 ALA MB 0.000 . 4.800 2.444 2.205 2.674 . 0 0 "[ . 1]" 1
628 1 102 LEU HA 1 105 ALA H 0.000 . 3.500 3.127 2.927 3.406 . 0 0 "[ . 1]" 1
629 1 102 LEU HA 1 173 ILE MG 0.000 . 6.500 5.126 4.737 5.250 . 0 0 "[ . 1]" 1
630 1 102 LEU QB 1 173 ILE MG 0.000 . 7.500 2.648 2.218 2.893 . 0 0 "[ . 1]" 1
631 1 102 LEU MD1 1 105 ALA MB 0.000 . 6.300 3.417 2.638 4.285 . 0 0 "[ . 1]" 1
632 1 102 LEU MD1 1 176 THR HB 0.000 . 4.800 3.563 2.686 3.973 . 0 0 "[ . 1]" 1
633 1 103 GLU HA 1 106 PHE QB 0.000 . 4.300 3.023 2.806 3.252 . 0 0 "[ . 1]" 1
634 1 103 GLU HA 1 106 PHE H 0.000 . 3.500 3.529 3.471 3.549 0.049 3 0 "[ . 1]" 1
635 1 103 GLU HA 1 173 ILE MD 0.000 . 4.800 3.661 3.048 3.874 . 0 0 "[ . 1]" 1
636 1 103 GLU H 1 104 TRP H 0.000 . 5.000 2.858 2.704 2.976 . 0 0 "[ . 1]" 1
637 1 104 TRP HA 1 105 ALA HA 0.000 . 5.000 4.811 4.760 4.843 . 0 0 "[ . 1]" 1
638 1 104 TRP HA 1 107 SER QB 0.000 . 4.300 3.310 2.887 3.639 . 0 0 "[ . 1]" 1
639 1 104 TRP HA 1 107 SER H 0.000 . 3.500 3.529 3.472 3.580 0.080 9 0 "[ . 1]" 1
640 1 104 TRP HD1 1 107 SER QB 0.000 . 6.000 4.356 2.958 5.343 . 0 0 "[ . 1]" 1
641 1 105 ALA HA 1 106 PHE H 0.000 . 5.000 3.534 3.451 3.562 . 0 0 "[ . 1]" 1
642 1 105 ALA HA 1 108 LEU QB 0.000 . 4.300 2.712 2.262 3.040 . 0 0 "[ . 1]" 1
643 1 105 ALA HA 1 108 LEU MD1 0.000 . 6.500 3.810 3.382 4.289 . 0 0 "[ . 1]" 1
644 1 105 ALA HA 1 108 LEU H 0.000 . 3.500 3.431 3.086 3.578 0.078 4 0 "[ . 1]" 1
645 1 105 ALA HA 1 109 TYR QD 0.000 . 7.000 5.306 4.652 5.798 . 0 0 "[ . 1]" 1
646 1 105 ALA MB 1 106 PHE QD 0.000 . 8.500 5.035 4.726 5.260 . 0 0 "[ . 1]" 1
647 1 105 ALA MB 1 106 PHE H 0.000 . 5.000 2.511 2.381 2.820 . 0 0 "[ . 1]" 1
648 1 105 ALA MB 1 109 TYR QD 0.000 . 8.500 4.402 3.332 4.938 . 0 0 "[ . 1]" 1
649 1 105 ALA MB 1 172 PHE QD 0.000 . 8.500 4.279 4.008 4.550 . 0 0 "[ . 1]" 1
650 1 105 ALA MB 1 186 ILE MD 0.000 . 6.300 3.335 2.432 4.088 . 0 0 "[ . 1]" 1
651 1 105 ALA H 1 106 PHE H 0.000 . 3.500 2.691 2.555 2.788 . 0 0 "[ . 1]" 1
652 1 106 PHE HA 1 107 SER H 0.000 . 5.000 3.526 3.402 3.558 . 0 0 "[ . 1]" 1
653 1 106 PHE HA 1 109 TYR QB 0.000 . 6.000 3.060 2.633 3.512 . 0 0 "[ . 1]" 1
654 1 106 PHE HA 1 109 TYR QD 0.000 . 7.000 4.691 3.419 5.485 . 0 0 "[ . 1]" 1
655 1 106 PHE HA 1 109 TYR H 0.000 . 5.000 3.860 3.569 4.174 . 0 0 "[ . 1]" 1
656 1 106 PHE HA 1 117 ILE MD 0.000 . 4.800 2.836 2.543 3.158 . 0 0 "[ . 1]" 1
657 1 106 PHE HA 1 117 ILE QG 0.000 . 6.000 4.346 4.151 4.652 . 0 0 "[ . 1]" 1
658 1 106 PHE QB 1 107 SER H 0.000 . 6.000 2.570 2.383 3.081 . 0 0 "[ . 1]" 1
659 1 106 PHE QB 1 117 ILE MD 0.000 . 7.500 4.119 3.699 4.517 . 0 0 "[ . 1]" 1
660 1 106 PHE QB 1 173 ILE MD 0.000 . 7.500 4.551 4.282 4.985 . 0 0 "[ . 1]" 1
661 1 106 PHE QD 1 107 SER H 0.000 . 7.000 3.768 3.222 4.531 . 0 0 "[ . 1]" 1
662 1 106 PHE QD 1 117 ILE MD 0.000 . 6.800 2.508 2.062 2.780 . 0 0 "[ . 1]" 1
663 1 106 PHE QD 1 169 GLU HA 0.000 . 7.000 2.898 2.654 3.135 . 0 0 "[ . 1]" 1
664 1 106 PHE QD 1 173 ILE MD 0.000 . 8.500 5.467 5.198 6.087 . 0 0 "[ . 1]" 1
665 1 106 PHE QE 1 116 THR HA 0.000 . 7.000 3.600 3.400 3.819 . 0 0 "[ . 1]" 1
666 1 106 PHE QE 1 116 THR MG 0.000 . 8.500 4.605 4.510 4.683 . 0 0 "[ . 1]" 1
667 1 106 PHE QE 1 117 ILE MD 0.000 . 6.800 2.691 2.146 3.107 . 0 0 "[ . 1]" 1
668 1 106 PHE QE 1 169 GLU HA 0.000 . 7.000 2.823 2.394 3.343 . 0 0 "[ . 1]" 1
669 1 106 PHE QE 1 172 PHE QB 0.000 . 8.000 2.629 2.142 3.213 . 0 0 "[ . 1]" 1
670 1 106 PHE H 1 107 SER H 0.000 . 3.500 2.758 2.620 2.851 . 0 0 "[ . 1]" 1
671 1 106 PHE HZ 1 116 THR HA 0.000 . 3.300 2.461 2.161 2.978 . 0 0 "[ . 1]" 1
672 1 106 PHE HZ 1 116 THR MG 0.000 . 4.800 3.888 3.718 3.991 . 0 0 "[ . 1]" 1
673 1 106 PHE HZ 1 117 ILE H 0.000 . 5.000 3.290 3.036 3.919 . 0 0 "[ . 1]" 1
674 1 107 SER HA 1 108 LEU H 0.000 . 3.500 3.551 3.522 3.565 0.065 1 0 "[ . 1]" 1
675 1 107 SER HA 1 110 ASP QB 0.000 . 6.000 2.464 2.254 2.841 . 0 0 "[ . 1]" 1
676 1 107 SER HA 1 110 ASP H 0.000 . 3.500 3.514 3.303 3.672 0.172 1 0 "[ . 1]" 1
677 1 107 SER H 1 108 LEU H 0.000 . 3.500 2.731 2.506 2.923 . 0 0 "[ . 1]" 1
678 1 108 LEU HA 1 109 TYR HA 0.000 . 5.000 4.730 4.681 4.838 . 0 0 "[ . 1]" 1
679 1 108 LEU HA 1 125 ILE MD 0.000 . 6.500 4.526 3.891 5.116 . 0 0 "[ . 1]" 1
680 1 108 LEU QB 1 109 TYR H 0.000 . 6.000 2.336 1.934 2.908 . 0 0 "[ . 1]" 1
681 1 108 LEU MD1 1 109 TYR QD 0.000 . 6.800 2.800 2.163 3.521 . 0 0 "[ . 1]" 1
682 1 108 LEU MD1 1 109 TYR QE 0.000 . 6.800 3.839 3.105 4.607 . 0 0 "[ . 1]" 1
683 1 108 LEU MD1 1 109 TYR H 0.000 . 6.500 2.686 1.987 4.120 . 0 0 "[ . 1]" 1
684 1 108 LEU MD1 1 125 ILE MD 0.000 . 8.000 3.208 2.221 3.960 . 0 0 "[ . 1]" 1
685 1 108 LEU MD1 1 125 ILE MG 0.000 . 6.300 2.577 1.983 3.467 . 0 0 "[ . 1]" 1
686 1 108 LEU MD1 1 188 PHE QB 0.000 . 7.500 3.670 3.229 4.341 . 0 0 "[ . 1]" 1
687 1 108 LEU MD2 1 109 TYR QD 0.000 . 8.500 4.186 2.964 5.276 . 0 0 "[ . 1]" 1
688 1 108 LEU MD2 1 125 ILE MD 0.000 . 6.300 2.616 1.893 3.914 . 0 0 "[ . 1]" 1
689 1 108 LEU MD2 1 125 ILE MG 0.000 . 6.300 2.941 2.134 3.816 . 0 0 "[ . 1]" 1
690 1 108 LEU MD2 1 188 PHE QB 0.000 . 7.500 4.946 4.332 5.518 . 0 0 "[ . 1]" 1
691 1 109 TYR HA 1 110 ASP H 0.000 . 5.000 3.354 3.134 3.540 . 0 0 "[ . 1]" 1
692 1 109 TYR HA 1 111 VAL MG1 0.000 . 6.500 3.877 2.944 4.844 . 0 0 "[ . 1]" 1
693 1 109 TYR HA 1 117 ILE MD 0.000 . 6.500 4.356 3.947 4.567 . 0 0 "[ . 1]" 1
694 1 109 TYR HA 1 125 ILE MD 0.000 . 6.500 2.845 1.917 3.458 . 0 0 "[ . 1]" 1
695 1 109 TYR HA 1 125 ILE MG 0.000 . 6.500 3.104 2.407 3.782 . 0 0 "[ . 1]" 1
696 1 109 TYR QB 1 110 ASP H 0.000 . 6.000 3.165 2.564 3.545 . 0 0 "[ . 1]" 1
697 1 109 TYR QB 1 117 ILE MD 0.000 . 5.800 2.052 1.941 2.105 . 0 0 "[ . 1]" 1
698 1 109 TYR QB 1 117 ILE MG 0.000 . 5.800 3.395 2.758 3.771 . 0 0 "[ . 1]" 1
699 1 109 TYR QD 1 117 ILE MD 0.000 . 8.500 2.716 1.952 3.545 . 0 0 "[ . 1]" 1
700 1 109 TYR QD 1 117 ILE MG 0.000 . 6.800 3.173 2.559 3.838 . 0 0 "[ . 1]" 1
701 1 109 TYR QD 1 122 VAL HA 0.000 . 7.000 3.335 2.184 4.413 . 0 0 "[ . 1]" 1
702 1 109 TYR QD 1 122 VAL MG1 0.000 . 6.200 2.682 2.131 3.314 . 0 0 "[ . 1]" 1
703 1 109 TYR QD 1 122 VAL MG2 0.000 . 6.800 4.745 4.121 5.195 . 0 0 "[ . 1]" 1
704 1 109 TYR QD 1 125 ILE MG 0.000 . 8.500 2.909 2.223 3.657 . 0 0 "[ . 1]" 1
705 1 109 TYR QE 1 122 VAL HA 0.000 . 7.000 3.301 2.136 4.192 . 0 0 "[ . 1]" 1
706 1 109 TYR QE 1 122 VAL MG1 0.000 . 8.500 2.710 2.068 3.825 . 0 0 "[ . 1]" 1
707 1 109 TYR QE 1 122 VAL MG2 0.000 . 6.800 3.977 3.642 4.537 . 0 0 "[ . 1]" 1
708 1 109 TYR QE 1 125 ILE HB 0.000 . 7.000 3.246 2.202 4.098 . 0 0 "[ . 1]" 1
709 1 109 TYR QE 1 125 ILE MG 0.000 . 6.800 2.798 2.092 3.923 . 0 0 "[ . 1]" 1
710 1 109 TYR QE 1 186 ILE HA 0.000 . 7.000 4.602 3.213 6.120 . 0 0 "[ . 1]" 1
711 1 109 TYR QE 1 186 ILE MD 0.000 . 6.800 3.581 2.108 4.631 . 0 0 "[ . 1]" 1
712 1 109 TYR H 1 110 ASP H 0.000 . 5.000 2.684 2.459 2.872 . 0 0 "[ . 1]" 1
713 1 109 TYR H 1 117 ILE MD 0.000 . 6.500 4.389 4.125 4.546 . 0 0 "[ . 1]" 1
714 1 110 ASP HA 1 111 VAL H 0.000 . 2.900 2.453 2.165 2.599 . 0 0 "[ . 1]" 1
715 1 110 ASP HA 1 117 ILE HA 0.000 . 5.000 3.707 3.183 4.883 . 0 0 "[ . 1]" 1
716 1 110 ASP HA 1 117 ILE MD 0.000 . 6.500 4.054 3.345 4.723 . 0 0 "[ . 1]" 1
717 1 110 ASP HA 1 117 ILE MG 0.000 . 6.500 3.776 3.299 4.581 . 0 0 "[ . 1]" 1
718 1 110 ASP HA 1 121 GLU QB 0.000 . 6.000 3.055 2.736 3.654 . 0 0 "[ . 1]" 1
719 1 110 ASP QB 1 117 ILE MD 0.000 . 5.800 3.127 2.446 4.011 . 0 0 "[ . 1]" 1
720 1 110 ASP H 1 111 VAL H 0.000 . 3.500 3.539 3.358 3.799 0.299 1 0 "[ . 1]" 1
721 1 110 ASP H 1 117 ILE MD 0.000 . 6.500 4.108 3.800 4.929 . 0 0 "[ . 1]" 1
722 1 110 ASP H 1 117 ILE QG 0.000 . 6.000 4.045 3.478 5.042 . 0 0 "[ . 1]" 1
723 1 111 VAL HA 1 125 ILE MD 0.000 . 6.500 4.679 4.186 5.215 . 0 0 "[ . 1]" 1
724 1 111 VAL HB 1 112 ASP H 0.000 . 3.500 3.639 3.527 3.893 0.393 4 0 "[ . 1]" 1
725 1 111 VAL QG 1 112 ASP H 0.000 . 5.900 2.146 1.672 2.955 . 0 0 "[ . 1]" 1
726 1 111 VAL QG 1 113 GLY H 0.000 . 7.400 4.307 3.864 4.726 . 0 0 "[ . 1]" 1
727 1 111 VAL MG1 1 124 GLU QB 0.000 . 5.800 3.280 2.648 3.916 . 0 0 "[ . 1]" 1
728 1 111 VAL MG1 1 124 GLU QG 0.000 . 5.800 3.983 3.404 4.225 . 0 0 "[ . 1]" 1
729 1 111 VAL MG1 1 125 ILE HA 0.000 . 6.500 4.546 4.073 4.821 . 0 0 "[ . 1]" 1
730 1 111 VAL MG1 1 125 ILE MD 0.000 . 5.700 1.993 1.687 2.445 . 0 0 "[ . 1]" 1
731 1 111 VAL MG1 1 125 ILE MG 0.000 . 6.300 4.249 4.015 4.542 . 0 0 "[ . 1]" 1
732 1 111 VAL MG2 1 112 ASP HA 0.000 . 4.800 3.148 2.966 3.494 . 0 0 "[ . 1]" 1
733 1 111 VAL MG2 1 124 GLU QB 0.000 . 5.800 3.302 2.671 4.117 . 0 0 "[ . 1]" 1
734 1 111 VAL MG2 1 125 ILE MD 0.000 . 8.000 3.249 2.352 4.048 . 0 0 "[ . 1]" 1
735 1 111 VAL H 1 112 ASP H 0.000 . 5.000 3.229 2.407 4.493 . 0 0 "[ . 1]" 1
736 1 111 VAL H 1 121 GLU HA 0.000 . 5.000 4.703 4.094 5.023 0.023 10 0 "[ . 1]" 1
737 1 112 ASP HA 1 113 GLY H 0.000 . 5.000 3.543 3.482 3.570 . 0 0 "[ . 1]" 1
738 1 112 ASP H 1 113 GLY H 0.000 . 2.900 2.882 2.420 3.099 0.199 1 0 "[ . 1]" 1
739 1 113 GLY QA 1 114 ASN H 0.000 . 4.500 2.540 2.177 2.938 . 0 0 "[ . 1]" 1
740 1 113 GLY H 1 114 ASN H 0.000 . 2.900 2.634 1.815 3.302 0.402 1 0 "[ . 1]" 1
741 1 114 ASN HA 1 115 GLY H 0.000 . 2.900 2.919 1.972 3.289 0.389 9 0 "[ . 1]" 1
742 1 114 ASN H 1 115 GLY H 0.000 . 3.500 2.914 1.798 3.920 0.420 1 0 "[ . 1]" 1
743 1 115 GLY QA 1 116 THR MG 0.000 . 7.500 3.548 3.133 3.956 . 0 0 "[ . 1]" 1
744 1 115 GLY QA 1 116 THR H 0.000 . 6.000 2.657 2.351 2.849 . 0 0 "[ . 1]" 1
745 1 115 GLY H 1 116 THR H 0.000 . 2.900 2.694 1.843 3.170 0.270 6 0 "[ . 1]" 1
746 1 116 THR HA 1 117 ILE HB 0.000 . 5.000 4.454 4.355 4.572 . 0 0 "[ . 1]" 1
747 1 116 THR HA 1 117 ILE H 0.000 . 2.900 2.184 2.109 2.356 . 0 0 "[ . 1]" 1
748 1 116 THR HA 1 166 LYS QB 0.000 . 4.300 3.886 3.636 4.144 . 0 0 "[ . 1]" 1
749 1 116 THR HA 1 167 LEU QB 0.000 . 6.000 4.596 4.381 4.894 . 0 0 "[ . 1]" 1
750 1 116 THR HA 1 168 THR HA 0.000 . 5.000 2.766 2.427 3.209 . 0 0 "[ . 1]" 1
751 1 116 THR HA 1 168 THR MG 0.000 . 6.500 4.017 3.753 4.317 . 0 0 "[ . 1]" 1
752 1 116 THR HA 1 169 GLU H 0.000 . 5.000 4.127 3.664 4.619 . 0 0 "[ . 1]" 1
753 1 116 THR HB 1 117 ILE H 0.000 . 3.500 3.265 2.693 3.551 0.051 3 0 "[ . 1]" 1
754 1 116 THR HB 1 166 LYS HA 0.000 . 5.000 4.379 3.665 4.885 . 0 0 "[ . 1]" 1
755 1 116 THR HB 1 166 LYS QB 0.000 . 3.700 2.140 1.940 2.496 . 0 0 "[ . 1]" 1
756 1 116 THR HB 1 166 LYS QG 0.000 . 4.300 3.571 2.165 3.974 . 0 0 "[ . 1]" 1
757 1 116 THR HB 1 167 LEU H 0.000 . 5.000 4.140 3.598 4.663 . 0 0 "[ . 1]" 1
758 1 116 THR HB 1 168 THR MG 0.000 . 6.500 4.653 3.655 5.134 . 0 0 "[ . 1]" 1
759 1 116 THR MG 1 117 ILE H 0.000 . 6.500 3.782 3.478 4.040 . 0 0 "[ . 1]" 1
760 1 116 THR MG 1 166 LYS QB 0.000 . 5.800 2.609 2.129 3.371 . 0 0 "[ . 1]" 1
761 1 116 THR MG 1 166 LYS QE 0.000 . 5.800 3.181 2.130 4.318 . 0 0 "[ . 1]" 1
762 1 116 THR MG 1 168 THR HA 0.000 . 4.800 2.681 2.196 3.183 . 0 0 "[ . 1]" 1
763 1 116 THR MG 1 168 THR HB 0.000 . 6.500 4.333 3.443 4.801 . 0 0 "[ . 1]" 1
764 1 116 THR MG 1 168 THR MG 0.000 . 5.700 2.511 1.996 3.064 . 0 0 "[ . 1]" 1
765 1 116 THR H 1 117 ILE H 0.000 . 5.000 4.335 4.040 4.637 . 0 0 "[ . 1]" 1
766 1 116 THR H 1 168 THR HA 0.000 . 5.000 5.125 4.979 5.274 0.274 3 0 "[ . 1]" 1
767 1 117 ILE HA 1 118 SER H 0.000 . 2.900 2.210 2.128 2.284 . 0 0 "[ . 1]" 1
768 1 117 ILE MD 1 122 VAL HA 0.000 . 6.500 5.166 5.063 5.213 . 0 0 "[ . 1]" 1
769 1 117 ILE MD 1 122 VAL MG1 0.000 . 6.300 3.274 3.114 3.733 . 0 0 "[ . 1]" 1
770 1 117 ILE MD 1 167 LEU MD1 0.000 . 6.300 4.780 4.511 5.239 . 0 0 "[ . 1]" 1
771 1 117 ILE MD 1 172 PHE QB 0.000 . 7.500 3.467 3.018 3.829 . 0 0 "[ . 1]" 1
772 1 117 ILE MD 1 172 PHE QD 0.000 . 6.800 2.538 2.119 3.078 . 0 0 "[ . 1]" 1
773 1 117 ILE MD 1 186 ILE MD 0.000 . 8.000 5.425 5.015 5.549 . 0 0 "[ . 1]" 1
774 1 117 ILE QG 1 122 VAL MG1 0.000 . 7.500 4.006 3.533 4.436 . 0 0 "[ . 1]" 1
775 1 117 ILE MG 1 118 SER HA 0.000 . 6.500 3.392 3.190 3.769 . 0 0 "[ . 1]" 1
776 1 117 ILE MG 1 118 SER H 0.000 . 5.000 2.231 1.854 3.109 . 0 0 "[ . 1]" 1
777 1 117 ILE MG 1 122 VAL HA 0.000 . 6.500 4.093 3.914 4.292 . 0 0 "[ . 1]" 1
778 1 117 ILE MG 1 122 VAL HB 0.000 . 6.500 4.280 3.767 4.713 . 0 0 "[ . 1]" 1
779 1 117 ILE MG 1 122 VAL MG1 0.000 . 5.700 1.999 1.855 2.164 . 0 0 "[ . 1]" 1
780 1 117 ILE MG 1 122 VAL H 0.000 . 6.500 3.104 2.995 3.262 . 0 0 "[ . 1]" 1
781 1 117 ILE MG 1 156 TRP HZ3 0.000 . 4.800 2.351 2.144 2.595 . 0 0 "[ . 1]" 1
782 1 117 ILE MG 1 167 LEU QB 0.000 . 7.500 3.331 2.979 3.591 . 0 0 "[ . 1]" 1
783 1 117 ILE MG 1 167 LEU MD1 0.000 . 6.300 5.310 4.996 5.528 . 0 0 "[ . 1]" 1
784 1 117 ILE MG 1 167 LEU MD2 0.000 . 8.000 3.578 3.145 3.798 . 0 0 "[ . 1]" 1
785 1 117 ILE H 1 167 LEU QB 0.000 . 6.000 2.998 2.851 3.158 . 0 0 "[ . 1]" 1
786 1 117 ILE H 1 167 LEU H 0.000 . 3.500 3.163 2.728 3.577 0.077 10 0 "[ . 1]" 1
787 1 117 ILE H 1 168 THR MG 0.000 . 6.500 5.114 4.733 5.315 . 0 0 "[ . 1]" 1
788 1 118 SER HA 1 119 LYS H 0.000 . 2.900 2.273 2.198 2.369 . 0 0 "[ . 1]" 1
789 1 118 SER HA 1 156 TRP HH2 0.000 . 5.000 2.693 2.395 3.106 . 0 0 "[ . 1]" 1
790 1 118 SER HA 1 156 TRP HZ2 0.000 . 5.000 3.887 3.157 4.414 . 0 0 "[ . 1]" 1
791 1 118 SER HA 1 166 LYS HA 0.000 . 5.000 3.650 3.280 4.172 . 0 0 "[ . 1]" 1
792 1 118 SER HA 1 167 LEU QB 0.000 . 6.000 5.004 4.723 5.319 . 0 0 "[ . 1]" 1
793 1 118 SER QB 1 119 LYS H 0.000 . 6.000 2.910 2.560 3.505 . 0 0 "[ . 1]" 1
794 1 118 SER H 1 121 GLU QB 0.000 . 3.900 2.128 1.756 2.341 . 0 0 "[ . 1]" 1
795 1 118 SER H 1 156 TRP HZ3 0.000 . 5.000 4.680 4.348 5.012 0.012 8 0 "[ . 1]" 1
796 1 119 LYS HA 1 122 VAL HB 0.000 . 5.000 4.807 4.571 4.987 . 0 0 "[ . 1]" 1
797 1 119 LYS HA 1 122 VAL MG1 0.000 . 4.800 3.048 2.130 3.706 . 0 0 "[ . 1]" 1
798 1 119 LYS HA 1 122 VAL H 0.000 . 3.500 3.622 3.572 3.664 0.164 1 0 "[ . 1]" 1
799 1 119 LYS HA 1 156 TRP HH2 0.000 . 5.000 4.750 4.371 5.096 0.096 10 0 "[ . 1]" 1
800 1 119 LYS QB 1 120 ASN H 0.000 . 6.000 3.147 2.559 3.682 . 0 0 "[ . 1]" 1
801 1 119 LYS QG 1 122 VAL MG2 0.000 . 7.500 3.625 2.886 4.378 . 0 0 "[ . 1]" 1
802 1 119 LYS H 1 120 ASN H 0.000 . 5.000 2.806 2.658 2.966 . 0 0 "[ . 1]" 1
803 1 119 LYS H 1 156 TRP HH2 0.000 . 5.000 3.504 3.189 3.928 . 0 0 "[ . 1]" 1
804 1 119 LYS H 1 156 TRP HZ3 0.000 . 5.000 4.191 3.524 4.983 . 0 0 "[ . 1]" 1
805 1 120 ASN HA 1 121 GLU H 0.000 . 5.000 3.493 3.457 3.524 . 0 0 "[ . 1]" 1
806 1 120 ASN HA 1 123 LEU QB 0.000 . 4.300 2.403 2.167 2.545 . 0 0 "[ . 1]" 1
807 1 120 ASN HA 1 123 LEU H 0.000 . 3.500 3.584 3.423 3.655 0.155 3 0 "[ . 1]" 1
808 1 120 ASN QB 1 121 GLU H 0.000 . 4.500 2.828 2.602 3.551 . 0 0 "[ . 1]" 1
809 1 120 ASN QB 1 123 LEU QB 0.000 . 7.000 4.085 3.678 4.411 . 0 0 "[ . 1]" 1
810 1 120 ASN QB 1 123 LEU MD1 0.000 . 7.500 4.737 4.033 5.695 . 0 0 "[ . 1]" 1
811 1 120 ASN H 1 121 GLU H 0.000 . 5.000 2.453 2.298 2.582 . 0 0 "[ . 1]" 1
812 1 121 GLU HA 1 124 GLU QB 0.000 . 4.300 3.338 2.980 3.628 . 0 0 "[ . 1]" 1
813 1 121 GLU HA 1 124 GLU H 0.000 . 3.500 3.572 3.362 3.674 0.174 1 0 "[ . 1]" 1
814 1 121 GLU HA 1 125 ILE MD 0.000 . 6.500 4.594 3.563 5.354 . 0 0 "[ . 1]" 1
815 1 121 GLU H 1 122 VAL H 0.000 . 3.500 2.670 2.597 2.792 . 0 0 "[ . 1]" 1
816 1 122 VAL HA 1 125 ILE HB 0.000 . 5.000 2.839 2.484 3.806 . 0 0 "[ . 1]" 1
817 1 122 VAL HA 1 125 ILE H 0.000 . 3.500 3.392 3.212 3.509 0.009 9 0 "[ . 1]" 1
818 1 122 VAL HB 1 123 LEU H 0.000 . 3.500 3.709 3.551 3.852 0.352 3 0 "[ . 1]" 1
819 1 122 VAL HB 1 155 ILE MD 0.000 . 6.500 3.354 2.501 4.051 . 0 0 "[ . 1]" 1
820 1 122 VAL QG 1 123 LEU H 0.000 . 5.900 1.822 1.642 2.135 . 0 0 "[ . 1]" 1
821 1 122 VAL MG1 1 156 TRP HZ3 0.000 . 4.800 3.031 2.337 3.605 . 0 0 "[ . 1]" 1
822 1 122 VAL MG1 1 167 LEU MD1 0.000 . 8.000 6.427 6.092 6.673 . 0 0 "[ . 1]" 1
823 1 122 VAL MG2 1 152 ALA HA 0.000 . 4.800 3.477 3.137 3.884 . 0 0 "[ . 1]" 1
824 1 122 VAL MG2 1 155 ILE HB 0.000 . 4.800 3.674 3.580 3.862 . 0 0 "[ . 1]" 1
825 1 122 VAL MG2 1 155 ILE MD 0.000 . 5.700 3.595 3.378 3.716 . 0 0 "[ . 1]" 1
826 1 122 VAL MG2 1 155 ILE QG 0.000 . 7.500 5.079 4.910 5.212 . 0 0 "[ . 1]" 1
827 1 122 VAL MG2 1 155 ILE H 0.000 . 6.500 5.281 5.181 5.376 . 0 0 "[ . 1]" 1
828 1 122 VAL H 1 123 LEU H 0.000 . 3.500 2.653 2.555 2.738 . 0 0 "[ . 1]" 1
829 1 123 LEU HA 1 126 VAL HB 0.000 . 5.000 2.486 2.176 2.808 . 0 0 "[ . 1]" 1
830 1 123 LEU HA 1 126 VAL H 0.000 . 3.500 3.480 3.122 3.565 0.065 7 0 "[ . 1]" 1
831 1 123 LEU QB 1 124 GLU H 0.000 . 4.500 2.326 2.105 2.633 . 0 0 "[ . 1]" 1
832 1 123 LEU MD1 1 124 GLU H 0.000 . 6.500 3.903 2.509 4.620 . 0 0 "[ . 1]" 1
833 1 123 LEU MD1 1 149 GLU HA 0.000 . 6.500 3.836 2.750 4.924 . 0 0 "[ . 1]" 1
834 1 123 LEU MD1 1 149 GLU QB 0.000 . 7.500 4.499 3.441 5.537 . 0 0 "[ . 1]" 1
835 1 123 LEU MD2 1 126 VAL MG2 0.000 . 8.000 4.164 3.652 5.358 . 0 0 "[ . 1]" 1
836 1 123 LEU MD2 1 127 THR HA 0.000 . 6.500 4.616 3.903 5.470 . 0 0 "[ . 1]" 1
837 1 123 LEU MD2 1 127 THR H 0.000 . 6.500 3.644 3.039 4.910 . 0 0 "[ . 1]" 1
838 1 123 LEU MD2 1 148 PRO QB 0.000 . 7.500 2.679 2.196 3.553 . 0 0 "[ . 1]" 1
839 1 123 LEU MD2 1 149 GLU HA 0.000 . 4.200 2.905 2.435 3.271 . 0 0 "[ . 1]" 1
840 1 123 LEU MD2 1 149 GLU QB 0.000 . 7.500 3.832 3.140 4.496 . 0 0 "[ . 1]" 1
841 1 123 LEU MD2 1 149 GLU QG 0.000 . 5.800 3.275 2.315 4.129 . 0 0 "[ . 1]" 1
842 1 123 LEU MD2 1 149 GLU H 0.000 . 6.500 3.891 3.121 4.639 . 0 0 "[ . 1]" 1
843 1 123 LEU MD2 1 152 ALA MB 0.000 . 5.700 2.700 1.870 3.328 . 0 0 "[ . 1]" 1
844 1 123 LEU MD2 1 152 ALA H 0.000 . 6.500 4.585 3.904 5.348 . 0 0 "[ . 1]" 1
845 1 123 LEU HG 1 124 GLU H 0.000 . 5.000 4.580 3.162 4.911 . 0 0 "[ . 1]" 1
846 1 123 LEU H 1 124 GLU H 0.000 . 3.500 2.973 2.776 3.109 . 0 0 "[ . 1]" 1
847 1 124 GLU HA 1 127 THR HB 0.000 . 3.300 2.571 2.220 2.876 . 0 0 "[ . 1]" 1
848 1 124 GLU HA 1 127 THR MG 0.000 . 6.500 3.979 3.721 4.331 . 0 0 "[ . 1]" 1
849 1 124 GLU HA 1 127 THR H 0.000 . 3.500 3.459 3.257 3.538 0.038 7 0 "[ . 1]" 1
850 1 124 GLU QB 1 125 ILE MD 0.000 . 7.500 2.823 2.202 3.938 . 0 0 "[ . 1]" 1
851 1 124 GLU QB 1 125 ILE H 0.000 . 4.500 2.228 2.041 2.432 . 0 0 "[ . 1]" 1
852 1 124 GLU QB 1 128 ALA MB 0.000 . 5.800 4.137 3.997 4.300 . 0 0 "[ . 1]" 1
853 1 124 GLU QG 1 125 ILE MD 0.000 . 5.800 4.022 3.530 4.293 . 0 0 "[ . 1]" 1
854 1 124 GLU H 1 125 ILE H 0.000 . 3.500 2.850 2.752 2.961 . 0 0 "[ . 1]" 1
855 1 125 ILE HA 1 128 ALA MB 0.000 . 4.800 2.396 2.029 2.623 . 0 0 "[ . 1]" 1
856 1 125 ILE HA 1 128 ALA H 0.000 . 3.500 3.503 3.225 3.554 0.054 1 0 "[ . 1]" 1
857 1 125 ILE HB 1 126 VAL H 0.000 . 5.000 2.544 2.155 2.992 . 0 0 "[ . 1]" 1
858 1 125 ILE MD 1 128 ALA MB 0.000 . 8.000 3.817 3.369 4.828 . 0 0 "[ . 1]" 1
859 1 125 ILE MG 1 126 VAL H 0.000 . 6.500 3.543 2.941 4.015 . 0 0 "[ . 1]" 1
860 1 125 ILE MG 1 128 ALA MB 0.000 . 6.300 3.497 3.162 3.758 . 0 0 "[ . 1]" 1
861 1 125 ILE MG 1 129 ILE MD 0.000 . 5.700 2.161 1.959 2.404 . 0 0 "[ . 1]" 1
862 1 125 ILE H 1 126 VAL H 0.000 . 3.500 2.759 2.651 2.874 . 0 0 "[ . 1]" 1
863 1 126 VAL HA 1 127 THR H 0.000 . 5.000 3.545 3.530 3.561 . 0 0 "[ . 1]" 1
864 1 126 VAL HA 1 129 ILE HB 0.000 . 5.000 2.656 2.190 2.995 . 0 0 "[ . 1]" 1
865 1 126 VAL HA 1 129 ILE MD 0.000 . 4.800 2.309 2.157 2.679 . 0 0 "[ . 1]" 1
866 1 126 VAL HA 1 129 ILE MG 0.000 . 6.500 3.979 3.388 4.341 . 0 0 "[ . 1]" 1
867 1 126 VAL HA 1 129 ILE H 0.000 . 3.500 3.565 3.485 3.619 0.119 8 0 "[ . 1]" 1
868 1 126 VAL HB 1 129 ILE MD 0.000 . 6.500 4.987 4.782 5.201 . 0 0 "[ . 1]" 1
869 1 126 VAL MG1 1 152 ALA HA 0.000 . 6.500 3.399 3.131 3.662 . 0 0 "[ . 1]" 1
870 1 126 VAL MG2 1 129 ILE MD 0.000 . 8.000 3.389 3.162 3.491 . 0 0 "[ . 1]" 1
871 1 126 VAL MG2 1 130 PHE QB 0.000 . 7.500 5.795 5.237 6.214 . 0 0 "[ . 1]" 1
872 1 126 VAL MG2 1 130 PHE QD 0.000 . 6.200 5.307 4.244 6.042 . 0 0 "[ . 1]" 1
873 1 126 VAL MG2 1 130 PHE QE 0.000 . 6.800 5.872 4.590 7.004 0.204 7 0 "[ . 1]" 1
874 1 126 VAL MG2 1 148 PRO HA 0.000 . 4.800 4.519 4.165 4.677 . 0 0 "[ . 1]" 1
875 1 126 VAL MG2 1 151 ARG QB 0.000 . 5.200 3.661 2.777 4.386 . 0 0 "[ . 1]" 1
876 1 126 VAL MG2 1 151 ARG QD 0.000 . 5.800 5.122 4.710 5.419 . 0 0 "[ . 1]" 1
877 1 126 VAL MG2 1 152 ALA HA 0.000 . 6.500 2.635 2.389 3.155 . 0 0 "[ . 1]" 1
878 1 126 VAL MG2 1 152 ALA H 0.000 . 6.500 4.004 3.555 4.703 . 0 0 "[ . 1]" 1
879 1 126 VAL MG2 1 155 ILE MD 0.000 . 6.300 2.101 1.883 2.342 . 0 0 "[ . 1]" 1
880 1 126 VAL H 1 127 THR H 0.000 . 3.500 2.638 2.557 2.708 . 0 0 "[ . 1]" 1
881 1 127 THR HA 1 128 ALA H 0.000 . 5.000 3.538 3.493 3.562 . 0 0 "[ . 1]" 1
882 1 127 THR HA 1 130 PHE QB 0.000 . 4.300 2.548 2.350 2.774 . 0 0 "[ . 1]" 1
883 1 127 THR HA 1 130 PHE H 0.000 . 3.500 3.471 3.326 3.567 0.067 3 0 "[ . 1]" 1
884 1 127 THR HA 1 148 PRO QB 0.000 . 6.000 2.308 2.138 2.715 . 0 0 "[ . 1]" 1
885 1 127 THR HA 1 148 PRO QG 0.000 . 6.000 2.830 2.371 3.176 . 0 0 "[ . 1]" 1
886 1 127 THR HB 1 128 ALA H 0.000 . 3.500 2.493 2.243 2.826 . 0 0 "[ . 1]" 1
887 1 127 THR HB 1 148 PRO QB 0.000 . 6.000 4.131 3.724 4.462 . 0 0 "[ . 1]" 1
888 1 127 THR HB 1 148 PRO QG 0.000 . 6.000 4.848 4.214 5.388 . 0 0 "[ . 1]" 1
889 1 127 THR MG 1 128 ALA HA 0.000 . 6.500 3.439 3.068 3.758 . 0 0 "[ . 1]" 1
890 1 127 THR MG 1 128 ALA H 0.000 . 5.000 3.338 3.006 3.591 . 0 0 "[ . 1]" 1
891 1 127 THR MG 1 130 PHE QB 0.000 . 7.500 3.614 3.399 3.906 . 0 0 "[ . 1]" 1
892 1 127 THR MG 1 130 PHE H 0.000 . 6.500 4.745 4.630 4.914 . 0 0 "[ . 1]" 1
893 1 127 THR MG 1 148 PRO QB 0.000 . 5.800 3.378 3.016 4.060 . 0 0 "[ . 1]" 1
894 1 127 THR MG 1 148 PRO QG 0.000 . 5.800 2.950 2.273 3.373 . 0 0 "[ . 1]" 1
895 1 127 THR H 1 128 ALA H 0.000 . 2.900 2.636 2.432 2.758 . 0 0 "[ . 1]" 1
896 1 128 ALA HA 1 131 LYS QB 0.000 . 6.000 3.141 2.277 4.465 . 0 0 "[ . 1]" 1
897 1 128 ALA HA 1 131 LYS QE 0.000 . 6.000 4.331 2.720 5.164 . 0 0 "[ . 1]" 1
898 1 128 ALA MB 1 129 ILE HB 0.000 . 6.500 4.308 4.240 4.390 . 0 0 "[ . 1]" 1
899 1 128 ALA MB 1 129 ILE H 0.000 . 5.000 2.322 2.166 2.519 . 0 0 "[ . 1]" 1
900 1 128 ALA MB 1 131 LYS QG 0.000 . 7.500 4.482 3.758 5.402 . 0 0 "[ . 1]" 1
901 1 128 ALA H 1 129 ILE H 0.000 . 3.500 2.752 2.657 2.846 . 0 0 "[ . 1]" 1
902 1 129 ILE HA 1 132 MET QB 0.000 . 6.000 2.711 2.220 3.221 . 0 0 "[ . 1]" 1
903 1 129 ILE HA 1 132 MET ME 0.000 . 6.500 5.244 4.746 5.480 . 0 0 "[ . 1]" 1
904 1 129 ILE HA 1 132 MET QG 0.000 . 6.000 4.415 3.354 5.340 . 0 0 "[ . 1]" 1
905 1 129 ILE HA 1 132 MET H 0.000 . 5.000 3.291 3.065 3.492 . 0 0 "[ . 1]" 1
906 1 129 ILE HB 1 130 PHE H 0.000 . 5.000 2.465 2.288 2.580 . 0 0 "[ . 1]" 1
907 1 129 ILE HB 1 133 ILE MD 0.000 . 6.500 4.803 4.210 5.100 . 0 0 "[ . 1]" 1
908 1 129 ILE MD 1 155 ILE MD 0.000 . 6.300 4.347 4.157 4.429 . 0 0 "[ . 1]" 1
909 1 129 ILE MD 1 188 PHE HA 0.000 . 4.800 3.321 2.599 3.860 . 0 0 "[ . 1]" 1
910 1 129 ILE MD 1 188 PHE QB 0.000 . 5.800 3.168 2.609 3.895 . 0 0 "[ . 1]" 1
911 1 129 ILE MG 1 130 PHE HA 0.000 . 4.800 3.067 2.846 3.220 . 0 0 "[ . 1]" 1
912 1 129 ILE MG 1 130 PHE QE 0.000 . 8.500 4.777 3.963 5.930 . 0 0 "[ . 1]" 1
913 1 129 ILE MG 1 130 PHE H 0.000 . 6.500 2.966 2.696 3.183 . 0 0 "[ . 1]" 1
914 1 129 ILE MG 1 133 ILE MD 0.000 . 6.300 2.598 1.971 2.920 . 0 0 "[ . 1]" 1
915 1 129 ILE MG 1 188 PHE HA 0.000 . 6.500 4.263 3.142 5.194 . 0 0 "[ . 1]" 1
916 1 129 ILE MG 1 188 PHE QB 0.000 . 7.500 4.584 4.135 5.030 . 0 0 "[ . 1]" 1
917 1 129 ILE H 1 130 PHE H 0.000 . 3.500 2.811 2.674 2.939 . 0 0 "[ . 1]" 1
918 1 130 PHE HA 1 131 LYS H 0.000 . 5.000 3.526 3.440 3.588 . 0 0 "[ . 1]" 1
919 1 130 PHE HA 1 133 ILE HB 0.000 . 5.000 2.920 2.704 3.364 . 0 0 "[ . 1]" 1
920 1 130 PHE HA 1 133 ILE MD 0.000 . 4.800 2.571 2.176 3.088 . 0 0 "[ . 1]" 1
921 1 130 PHE HA 1 133 ILE MG 0.000 . 6.500 4.169 3.991 4.295 . 0 0 "[ . 1]" 1
922 1 130 PHE HA 1 133 ILE H 0.000 . 5.000 3.386 3.236 3.617 . 0 0 "[ . 1]" 1
923 1 130 PHE QB 1 131 LYS HA 0.000 . 6.000 3.800 3.728 3.947 . 0 0 "[ . 1]" 1
924 1 130 PHE QB 1 131 LYS H 0.000 . 6.000 2.673 2.016 2.982 . 0 0 "[ . 1]" 1
925 1 130 PHE QB 1 133 ILE MG 0.000 . 7.500 5.397 4.914 5.606 . 0 0 "[ . 1]" 1
926 1 130 PHE QB 1 147 THR HA 0.000 . 6.000 5.433 5.400 5.469 . 0 0 "[ . 1]" 1
927 1 130 PHE QB 1 148 PRO HA 0.000 . 6.000 4.448 3.754 5.231 . 0 0 "[ . 1]" 1
928 1 130 PHE QB 1 148 PRO QG 0.000 . 7.000 3.131 2.655 3.522 . 0 0 "[ . 1]" 1
929 1 130 PHE QD 1 133 ILE MD 0.000 . 8.500 3.322 2.364 4.285 . 0 0 "[ . 1]" 1
930 1 130 PHE QD 1 138 THR MG 0.000 . 6.800 3.001 1.995 3.947 . 0 0 "[ . 1]" 1
931 1 130 PHE QD 1 141 LEU MD1 0.000 . 8.500 4.248 3.321 5.431 . 0 0 "[ . 1]" 1
932 1 130 PHE QD 1 147 THR HA 0.000 . 7.000 4.430 3.781 5.338 . 0 0 "[ . 1]" 1
933 1 130 PHE QD 1 148 PRO HA 0.000 . 7.000 4.066 3.773 4.800 . 0 0 "[ . 1]" 1
934 1 130 PHE QD 1 148 PRO QG 0.000 . 8.000 3.684 3.205 4.312 . 0 0 "[ . 1]" 1
935 1 130 PHE QE 1 133 ILE MD 0.000 . 8.500 3.752 3.078 5.082 . 0 0 "[ . 1]" 1
936 1 130 PHE QE 1 138 THR MG 0.000 . 6.800 2.663 2.315 3.263 . 0 0 "[ . 1]" 1
937 1 130 PHE QE 1 141 LEU MD1 0.000 . 6.800 2.870 2.349 3.841 . 0 0 "[ . 1]" 1
938 1 130 PHE QE 1 148 PRO HA 0.000 . 7.000 4.277 3.380 5.209 . 0 0 "[ . 1]" 1
939 1 130 PHE H 1 131 LYS H 0.000 . 5.000 2.816 2.666 3.135 . 0 0 "[ . 1]" 1
940 1 131 LYS HA 1 132 MET H 0.000 . 5.000 3.543 3.512 3.566 . 0 0 "[ . 1]" 1
941 1 131 LYS QB 1 132 MET H 0.000 . 6.000 2.498 2.149 3.357 . 0 0 "[ . 1]" 1
942 1 131 LYS H 1 132 MET H 0.000 . 3.500 2.674 2.536 2.817 . 0 0 "[ . 1]" 1
943 1 132 MET QB 1 133 ILE H 0.000 . 6.000 2.858 2.496 3.161 . 0 0 "[ . 1]" 1
944 1 132 MET H 1 133 ILE H 0.000 . 2.900 2.666 2.533 2.792 . 0 0 "[ . 1]" 1
945 1 133 ILE HA 1 134 SER H 0.000 . 2.900 2.204 2.141 2.348 . 0 0 "[ . 1]" 1
946 1 133 ILE HB 1 134 SER H 0.000 . 5.000 4.165 3.714 4.504 . 0 0 "[ . 1]" 1
947 1 133 ILE HB 1 137 ASP QB 0.000 . 6.000 5.011 4.836 5.343 . 0 0 "[ . 1]" 1
948 1 133 ILE HB 1 138 THR HA 0.000 . 5.000 5.030 4.916 5.080 0.080 7 0 "[ . 1]" 1
949 1 133 ILE MD 1 134 SER H 0.000 . 6.500 5.014 4.559 5.452 . 0 0 "[ . 1]" 1
950 1 133 ILE MD 1 138 THR HA 0.000 . 6.500 4.315 3.986 4.487 . 0 0 "[ . 1]" 1
951 1 133 ILE MD 1 138 THR MG 0.000 . 6.300 3.360 2.535 3.861 . 0 0 "[ . 1]" 1
952 1 133 ILE MD 1 141 LEU MD2 0.000 . 6.300 3.796 2.775 4.210 . 0 0 "[ . 1]" 1
953 1 133 ILE MD 1 141 LEU MD1 0.000 . 6.300 3.634 3.092 4.195 . 0 0 "[ . 1]" 1
954 1 133 ILE MG 1 134 SER H 0.000 . 4.400 2.657 1.951 3.433 . 0 0 "[ . 1]" 1
955 1 133 ILE MG 1 137 ASP HA 0.000 . 6.500 4.754 4.405 5.218 . 0 0 "[ . 1]" 1
956 1 133 ILE MG 1 137 ASP QB 0.000 . 5.800 2.424 2.113 2.881 . 0 0 "[ . 1]" 1
957 1 133 ILE MG 1 137 ASP H 0.000 . 6.500 3.879 3.535 4.201 . 0 0 "[ . 1]" 1
958 1 133 ILE MG 1 138 THR HA 0.000 . 4.200 3.141 2.838 3.372 . 0 0 "[ . 1]" 1
959 1 133 ILE MG 1 138 THR HB 0.000 . 6.500 4.218 4.022 4.456 . 0 0 "[ . 1]" 1
960 1 133 ILE MG 1 138 THR MG 0.000 . 5.700 2.963 2.659 3.176 . 0 0 "[ . 1]" 1
961 1 133 ILE MG 1 138 THR H 0.000 . 4.800 3.166 2.628 3.619 . 0 0 "[ . 1]" 1
962 1 133 ILE H 1 134 SER H 0.000 . 5.000 4.455 3.987 4.650 . 0 0 "[ . 1]" 1
963 1 134 SER HA 1 135 PRO QD 0.000 . 3.700 1.975 1.927 2.028 . 0 0 "[ . 1]" 1
964 1 134 SER HA 1 135 PRO QG 0.000 . 6.000 3.920 3.864 3.988 . 0 0 "[ . 1]" 1
965 1 134 SER H 1 137 ASP QB 0.000 . 6.000 3.630 2.732 4.247 . 0 0 "[ . 1]" 1
966 1 135 PRO HA 1 136 GLU HA 0.000 . 5.000 4.876 4.832 4.942 . 0 0 "[ . 1]" 1
967 1 135 PRO HA 1 138 THR MG 0.000 . 6.500 3.689 3.379 4.179 . 0 0 "[ . 1]" 1
968 1 135 PRO HA 1 138 THR H 0.000 . 5.000 2.980 2.564 3.513 . 0 0 "[ . 1]" 1
969 1 135 PRO QB 1 136 GLU HA 0.000 . 4.300 3.658 3.605 3.698 . 0 0 "[ . 1]" 1
970 1 135 PRO QB 1 138 THR HB 0.000 . 6.000 3.899 3.611 4.323 . 0 0 "[ . 1]" 1
971 1 135 PRO QD 1 138 THR HB 0.000 . 6.000 5.224 5.038 5.427 . 0 0 "[ . 1]" 1
972 1 136 GLU HA 1 137 ASP H 0.000 . 3.500 3.471 3.320 3.562 0.062 8 0 "[ . 1]" 1
973 1 136 GLU QB 1 137 ASP HA 0.000 . 6.000 4.193 3.841 4.422 . 0 0 "[ . 1]" 1
974 1 136 GLU QB 1 137 ASP H 0.000 . 3.900 2.774 2.081 3.425 . 0 0 "[ . 1]" 1
975 1 136 GLU H 1 137 ASP H 0.000 . 5.000 2.871 2.766 3.142 . 0 0 "[ . 1]" 1
976 1 137 ASP HA 1 138 THR H 0.000 . 5.000 3.467 3.266 3.558 . 0 0 "[ . 1]" 1
977 1 137 ASP HA 1 140 HIS QB 0.000 . 6.000 3.425 2.274 4.221 . 0 0 "[ . 1]" 1
978 1 137 ASP HA 1 140 HIS HD2 0.000 . 3.300 2.961 2.390 3.368 0.068 10 0 "[ . 1]" 1
979 1 137 ASP QB 1 138 THR H 0.000 . 6.000 2.797 2.333 3.368 . 0 0 "[ . 1]" 1
980 1 137 ASP H 1 138 THR H 0.000 . 2.900 2.189 1.766 2.618 . 0 0 "[ . 1]" 1
981 1 137 ASP H 1 139 LYS H 0.000 . 5.000 4.000 3.485 4.893 . 0 0 "[ . 1]" 1
982 1 138 THR HA 1 139 LYS H 0.000 . 5.000 3.473 3.287 3.577 . 0 0 "[ . 1]" 1
983 1 138 THR HA 1 141 LEU MD2 0.000 . 4.800 3.502 3.125 3.940 . 0 0 "[ . 1]" 1
984 1 138 THR HA 1 141 LEU MD1 0.000 . 4.200 2.114 1.956 2.366 . 0 0 "[ . 1]" 1
985 1 138 THR HA 1 141 LEU HG 0.000 . 3.300 2.787 2.407 3.343 0.043 2 0 "[ . 1]" 1
986 1 138 THR HA 1 141 LEU H 0.000 . 5.000 3.916 3.416 4.455 . 0 0 "[ . 1]" 1
987 1 138 THR HB 1 139 LYS H 0.000 . 3.500 2.717 1.824 3.446 . 0 0 "[ . 1]" 1
988 1 138 THR HB 1 141 LEU MD1 0.000 . 4.800 3.876 3.825 3.948 . 0 0 "[ . 1]" 1
989 1 138 THR HB 1 141 LEU HG 0.000 . 6.000 5.429 5.060 6.081 0.081 2 0 "[ . 1]" 1
990 1 138 THR MG 1 139 LYS H 0.000 . 5.000 3.928 3.432 4.240 . 0 0 "[ . 1]" 1
991 1 138 THR MG 1 141 LEU MD1 0.000 . 5.700 1.972 1.840 2.143 . 0 0 "[ . 1]" 1
992 1 138 THR MG 1 146 ASN QB 0.000 . 7.500 4.455 3.692 5.244 . 0 0 "[ . 1]" 1
993 1 138 THR H 1 139 LYS H 0.000 . 3.500 2.647 2.333 2.974 . 0 0 "[ . 1]" 1
994 1 139 LYS QB 1 140 HIS QB 0.000 . 7.000 4.455 3.909 4.867 . 0 0 "[ . 1]" 1
995 1 140 HIS HA 1 141 LEU H 0.000 . 3.500 3.303 2.868 3.567 0.067 2 0 "[ . 1]" 1
996 1 141 LEU MD2 1 146 ASN HA 0.000 . 6.500 4.338 3.818 5.207 . 0 0 "[ . 1]" 1
997 1 141 LEU MD2 1 146 ASN QB 0.000 . 7.500 4.671 3.313 5.603 . 0 0 "[ . 1]" 1
998 1 141 LEU MD1 1 146 ASN HA 0.000 . 4.800 3.238 2.233 3.885 . 0 0 "[ . 1]" 1
999 1 141 LEU MD1 1 146 ASN QB 0.000 . 7.500 3.301 1.965 4.444 . 0 0 "[ . 1]" 1
1000 1 142 PRO HA 1 143 GLU H 0.000 . 2.900 2.503 2.180 2.998 0.098 4 0 "[ . 1]" 1
1001 1 142 PRO QB 1 143 GLU H 0.000 . 6.000 2.847 1.970 3.861 . 0 0 "[ . 1]" 1
1002 1 143 GLU HA 1 144 ASP H 0.000 . 5.000 2.663 2.147 3.554 . 0 0 "[ . 1]" 1
1003 1 143 GLU HA 1 146 ASN QB 0.000 . 6.000 3.655 2.536 5.285 . 0 0 "[ . 1]" 1
1004 1 143 GLU QB 1 144 ASP QB 0.000 . 7.000 3.624 3.118 4.398 . 0 0 "[ . 1]" 1
1005 1 143 GLU QB 1 144 ASP H 0.000 . 3.900 2.358 1.742 3.564 . 0 0 "[ . 1]" 1
1006 1 143 GLU QG 1 144 ASP H 0.000 . 6.000 3.475 1.784 4.398 . 0 0 "[ . 1]" 1
1007 1 143 GLU H 1 144 ASP H 0.000 . 5.000 4.321 2.851 4.623 . 0 0 "[ . 1]" 1
1008 1 144 ASP H 1 145 GLU H 0.000 . 2.900 2.719 2.202 2.880 . 0 0 "[ . 1]" 1
1009 1 145 GLU HA 1 146 ASN H 0.000 . 5.000 2.772 2.406 3.435 . 0 0 "[ . 1]" 1
1010 1 145 GLU HA 1 151 ARG H 0.000 . 5.000 4.462 3.499 5.081 0.081 10 0 "[ . 1]" 1
1011 1 145 GLU H 1 146 ASN H 0.000 . 2.900 2.560 1.637 3.065 0.165 5 0 "[ . 1]" 1
1012 1 146 ASN HA 1 147 THR H 0.000 . 5.000 3.172 2.953 3.344 . 0 0 "[ . 1]" 1
1013 1 146 ASN H 1 147 THR H 0.000 . 5.000 2.457 1.891 3.014 . 0 0 "[ . 1]" 1
1014 1 147 THR HA 1 148 PRO QG 0.000 . 6.000 3.947 3.914 4.032 . 0 0 "[ . 1]" 1
1015 1 147 THR HB 1 148 PRO QD 0.000 . 4.300 2.375 2.154 3.663 . 0 0 "[ . 1]" 1
1016 1 147 THR HB 1 149 GLU H 0.000 . 5.000 3.177 2.557 4.721 . 0 0 "[ . 1]" 1
1017 1 147 THR MG 1 148 PRO QD 0.000 . 5.800 2.730 2.015 3.630 . 0 0 "[ . 1]" 1
1018 1 147 THR MG 1 150 LYS QE 0.000 . 5.800 3.733 3.224 4.046 . 0 0 "[ . 1]" 1
1019 1 147 THR MG 1 150 LYS H 0.000 . 6.500 3.818 1.641 4.508 . 0 0 "[ . 1]" 1
1020 1 147 THR H 1 150 LYS HA 0.000 . 5.000 5.171 5.103 5.291 0.291 5 0 "[ . 1]" 1
1021 1 147 THR H 1 150 LYS QB 0.000 . 4.500 2.197 2.058 2.374 . 0 0 "[ . 1]" 1
1022 1 147 THR H 1 150 LYS QG 0.000 . 4.500 3.522 2.936 4.017 . 0 0 "[ . 1]" 1
1023 1 147 THR H 1 150 LYS H 0.000 . 5.000 3.753 3.472 4.043 . 0 0 "[ . 1]" 1
1024 1 147 THR H 1 151 ARG QB 0.000 . 6.000 4.707 3.586 5.303 . 0 0 "[ . 1]" 1
1025 1 148 PRO HA 1 149 GLU H 0.000 . 5.000 3.544 3.483 3.568 . 0 0 "[ . 1]" 1
1026 1 148 PRO HA 1 151 ARG QB 0.000 . 4.300 2.806 2.525 3.208 . 0 0 "[ . 1]" 1
1027 1 148 PRO HA 1 151 ARG H 0.000 . 3.500 3.507 3.198 3.595 0.095 4 0 "[ . 1]" 1
1028 1 149 GLU HA 1 150 LYS H 0.000 . 5.000 3.504 3.459 3.547 . 0 0 "[ . 1]" 1
1029 1 149 GLU HA 1 152 ALA MB 0.000 . 4.800 2.381 2.165 2.685 . 0 0 "[ . 1]" 1
1030 1 149 GLU HA 1 152 ALA H 0.000 . 3.500 3.581 3.537 3.638 0.138 10 0 "[ . 1]" 1
1031 1 149 GLU H 1 150 LYS H 0.000 . 5.000 2.600 2.394 2.784 . 0 0 "[ . 1]" 1
1032 1 150 LYS HA 1 153 GLU QB 0.000 . 4.300 3.187 2.686 3.512 . 0 0 "[ . 1]" 1
1033 1 150 LYS HA 1 153 GLU H 0.000 . 3.500 3.663 3.612 3.710 0.210 4 0 "[ . 1]" 1
1034 1 150 LYS H 1 151 ARG H 0.000 . 3.500 2.539 2.252 2.750 . 0 0 "[ . 1]" 1
1035 1 151 ARG HA 1 152 ALA H 0.000 . 5.000 3.532 3.483 3.570 . 0 0 "[ . 1]" 1
1036 1 151 ARG HA 1 154 LYS QB 0.000 . 4.300 2.469 2.291 2.785 . 0 0 "[ . 1]" 1
1037 1 151 ARG HA 1 154 LYS H 0.000 . 3.500 2.918 2.681 3.078 . 0 0 "[ . 1]" 1
1038 1 151 ARG HA 1 155 ILE MD 0.000 . 6.500 5.021 4.467 5.290 . 0 0 "[ . 1]" 1
1039 1 151 ARG QB 1 152 ALA H 0.000 . 4.500 2.530 2.290 2.755 . 0 0 "[ . 1]" 1
1040 1 151 ARG QB 1 154 LYS H 0.000 . 4.500 4.221 4.137 4.432 . 0 0 "[ . 1]" 1
1041 1 151 ARG H 1 152 ALA H 0.000 . 3.500 2.505 2.333 2.705 . 0 0 "[ . 1]" 1
1042 1 152 ALA HA 1 155 ILE HB 0.000 . 3.300 3.318 3.178 3.385 0.085 6 0 "[ . 1]" 1
1043 1 152 ALA HA 1 155 ILE MD 0.000 . 4.800 2.709 2.577 2.973 . 0 0 "[ . 1]" 1
1044 1 152 ALA HA 1 155 ILE MG 0.000 . 6.500 4.712 4.621 4.771 . 0 0 "[ . 1]" 1
1045 1 152 ALA HA 1 155 ILE H 0.000 . 3.500 3.500 3.450 3.627 0.127 10 0 "[ . 1]" 1
1046 1 152 ALA MB 1 153 GLU H 0.000 . 4.400 2.708 2.610 2.850 . 0 0 "[ . 1]" 1
1047 1 152 ALA MB 1 155 ILE MD 0.000 . 6.300 3.954 3.835 4.128 . 0 0 "[ . 1]" 1
1048 1 152 ALA MB 1 155 ILE MG 0.000 . 8.000 5.405 5.326 5.536 . 0 0 "[ . 1]" 1
1049 1 152 ALA MB 1 155 ILE H 0.000 . 6.500 4.713 4.683 4.759 . 0 0 "[ . 1]" 1
1050 1 152 ALA H 1 153 GLU H 0.000 . 2.900 2.686 2.601 2.758 . 0 0 "[ . 1]" 1
1051 1 152 ALA H 1 155 ILE MD 0.000 . 6.500 4.564 4.217 4.872 . 0 0 "[ . 1]" 1
1052 1 153 GLU HA 1 154 LYS H 0.000 . 5.000 3.454 3.427 3.517 . 0 0 "[ . 1]" 1
1053 1 153 GLU HA 1 156 TRP QB 0.000 . 4.300 2.656 2.480 2.827 . 0 0 "[ . 1]" 1
1054 1 153 GLU HA 1 156 TRP HD1 0.000 . 5.000 4.403 4.032 4.821 . 0 0 "[ . 1]" 1
1055 1 153 GLU HA 1 156 TRP H 0.000 . 3.500 3.589 3.544 3.674 0.174 3 0 "[ . 1]" 1
1056 1 153 GLU QB 1 154 LYS H 0.000 . 4.500 2.951 2.787 3.024 . 0 0 "[ . 1]" 1
1057 1 153 GLU QG 1 154 LYS H 0.000 . 6.000 4.155 3.877 4.427 . 0 0 "[ . 1]" 1
1058 1 153 GLU H 1 154 LYS H 0.000 . 2.900 2.406 2.345 2.487 . 0 0 "[ . 1]" 1
1059 1 154 LYS H 1 155 ILE MD 0.000 . 6.500 4.744 4.511 4.982 . 0 0 "[ . 1]" 1
1060 1 155 ILE HA 1 158 PHE QB 0.000 . 6.000 2.491 2.174 3.003 . 0 0 "[ . 1]" 1
1061 1 155 ILE HA 1 158 PHE QD 0.000 . 7.000 3.287 2.273 4.864 . 0 0 "[ . 1]" 1
1062 1 155 ILE HA 1 158 PHE H 0.000 . 5.000 3.262 3.031 3.529 . 0 0 "[ . 1]" 1
1063 1 155 ILE HA 1 182 ILE MG 0.000 . 6.500 4.833 3.907 5.327 . 0 0 "[ . 1]" 1
1064 1 155 ILE HB 1 156 TRP H 0.000 . 3.500 2.241 1.974 2.382 . 0 0 "[ . 1]" 1
1065 1 155 ILE HB 1 158 PHE H 0.000 . 5.000 5.133 5.098 5.217 0.217 3 0 "[ . 1]" 1
1066 1 155 ILE MD 1 156 TRP H 0.000 . 6.500 3.992 3.874 4.052 . 0 0 "[ . 1]" 1
1067 1 155 ILE MD 1 186 ILE HA 0.000 . 6.500 3.720 3.216 4.240 . 0 0 "[ . 1]" 1
1068 1 155 ILE QG 1 186 ILE H 0.000 . 6.000 4.928 4.509 5.142 . 0 0 "[ . 1]" 1
1069 1 155 ILE MG 1 156 TRP HA 0.000 . 6.500 3.468 3.143 3.667 . 0 0 "[ . 1]" 1
1070 1 155 ILE MG 1 156 TRP H 0.000 . 6.500 3.320 2.821 3.528 . 0 0 "[ . 1]" 1
1071 1 155 ILE MG 1 158 PHE QD 0.000 . 8.500 4.215 3.221 5.134 . 0 0 "[ . 1]" 1
1072 1 155 ILE MG 1 159 PHE QD 0.000 . 6.800 3.477 2.695 4.761 . 0 0 "[ . 1]" 1
1073 1 155 ILE MG 1 159 PHE QE 0.000 . 8.500 2.556 2.150 4.646 . 0 0 "[ . 1]" 1
1074 1 155 ILE MG 1 182 ILE MG 0.000 . 6.300 3.685 2.420 4.213 . 0 0 "[ . 1]" 1
1075 1 155 ILE H 1 156 TRP H 0.000 . 3.500 2.588 2.412 2.874 . 0 0 "[ . 1]" 1
1076 1 155 ILE H 1 185 LEU QD 0.000 . 7.400 4.347 3.543 5.195 . 0 0 "[ . 1]" 1
1077 1 156 TRP HA 1 157 GLY H 0.000 . 5.000 3.486 3.426 3.561 . 0 0 "[ . 1]" 1
1078 1 156 TRP HA 1 159 PHE QB 0.000 . 6.000 3.834 3.234 4.638 . 0 0 "[ . 1]" 1
1079 1 156 TRP HA 1 167 LEU MD1 0.000 . 6.500 6.525 5.566 6.941 0.441 5 0 "[ . 1]" 1
1080 1 156 TRP QB 1 157 GLY H 0.000 . 6.000 2.676 2.260 2.890 . 0 0 "[ . 1]" 1
1081 1 156 TRP HH2 1 166 LYS HA 0.000 . 5.000 2.951 2.463 3.695 . 0 0 "[ . 1]" 1
1082 1 156 TRP HH2 1 167 LEU H 0.000 . 5.000 2.823 2.238 3.532 . 0 0 "[ . 1]" 1
1083 1 156 TRP HZ2 1 166 LYS HA 0.000 . 5.000 3.625 2.958 4.708 . 0 0 "[ . 1]" 1
1084 1 156 TRP HZ3 1 167 LEU MD1 0.000 . 6.500 5.363 5.150 5.460 . 0 0 "[ . 1]" 1
1085 1 156 TRP HZ3 1 167 LEU MD2 0.000 . 6.500 3.898 3.437 4.444 . 0 0 "[ . 1]" 1
1086 1 157 GLY QA 1 158 PHE H 0.000 . 4.500 2.843 2.815 2.899 . 0 0 "[ . 1]" 1
1087 1 157 GLY QA 1 160 GLY H 0.000 . 6.000 3.291 3.014 3.664 . 0 0 "[ . 1]" 1
1088 1 157 GLY H 1 158 PHE H 0.000 . 3.500 2.426 2.341 2.576 . 0 0 "[ . 1]" 1
1089 1 158 PHE HA 1 159 PHE HA 0.000 . 5.000 4.676 4.485 4.767 . 0 0 "[ . 1]" 1
1090 1 158 PHE HA 1 182 ILE MD 0.000 . 6.500 4.791 4.311 5.307 . 0 0 "[ . 1]" 1
1091 1 158 PHE HA 1 182 ILE QG 0.000 . 6.000 5.182 4.731 5.373 . 0 0 "[ . 1]" 1
1092 1 158 PHE QB 1 159 PHE H 0.000 . 6.000 2.581 2.178 3.834 . 0 0 "[ . 1]" 1
1093 1 158 PHE QB 1 182 ILE MD 0.000 . 5.800 2.929 2.484 3.400 . 0 0 "[ . 1]" 1
1094 1 158 PHE QB 1 182 ILE QG 0.000 . 7.000 3.393 2.823 3.710 . 0 0 "[ . 1]" 1
1095 1 158 PHE QD 1 159 PHE H 0.000 . 7.000 3.815 1.729 4.677 . 0 0 "[ . 1]" 1
1096 1 158 PHE QD 1 182 ILE MD 0.000 . 8.500 2.806 2.427 3.700 . 0 0 "[ . 1]" 1
1097 1 158 PHE QD 1 182 ILE MG 0.000 . 8.500 3.983 2.393 4.664 . 0 0 "[ . 1]" 1
1098 1 158 PHE H 1 159 PHE QD 0.000 . 7.000 4.565 4.055 5.391 . 0 0 "[ . 1]" 1
1099 1 158 PHE H 1 159 PHE H 0.000 . 3.500 2.777 2.578 2.961 . 0 0 "[ . 1]" 1
1100 1 159 PHE HA 1 160 GLY H 0.000 . 5.000 3.535 3.458 3.582 . 0 0 "[ . 1]" 1
1101 1 159 PHE HA 1 167 LEU MD2 0.000 . 6.500 5.159 4.673 5.864 . 0 0 "[ . 1]" 1
1102 1 159 PHE HA 1 182 ILE MD 0.000 . 6.500 4.417 3.047 5.420 . 0 0 "[ . 1]" 1
1103 1 159 PHE QB 1 160 GLY H 0.000 . 6.000 2.485 1.977 2.893 . 0 0 "[ . 1]" 1
1104 1 159 PHE QB 1 167 LEU MD1 0.000 . 5.800 3.234 3.035 3.536 . 0 0 "[ . 1]" 1
1105 1 159 PHE QB 1 167 LEU MD2 0.000 . 5.800 3.169 2.886 3.543 . 0 0 "[ . 1]" 1
1106 1 159 PHE QD 1 167 LEU MD2 0.000 . 6.800 2.934 1.956 3.377 . 0 0 "[ . 1]" 1
1107 1 159 PHE QD 1 175 GLY QA 0.000 . 8.000 2.776 2.131 3.320 . 0 0 "[ . 1]" 1
1108 1 159 PHE QD 1 175 GLY H 0.000 . 7.000 4.939 4.265 5.561 . 0 0 "[ . 1]" 1
1109 1 159 PHE QE 1 167 LEU MD1 0.000 . 8.500 4.451 3.557 5.246 . 0 0 "[ . 1]" 1
1110 1 159 PHE QE 1 176 THR H 0.000 . 7.000 4.001 3.290 4.654 . 0 0 "[ . 1]" 1
1111 1 159 PHE QE 1 182 ILE MD 0.000 . 8.500 2.803 1.914 3.223 . 0 0 "[ . 1]" 1
1112 1 159 PHE QE 1 182 ILE MG 0.000 . 8.500 3.449 2.807 4.070 . 0 0 "[ . 1]" 1
1113 1 159 PHE H 1 160 GLY H 0.000 . 2.900 2.516 2.102 2.726 . 0 0 "[ . 1]" 1
1114 1 159 PHE H 1 167 LEU MD1 0.000 . 6.500 6.118 5.626 6.538 0.038 5 0 "[ . 1]" 1
1115 1 159 PHE HZ 1 176 THR MG 0.000 . 6.500 3.167 2.273 3.863 . 0 0 "[ . 1]" 1
1116 1 159 PHE HZ 1 182 ILE MG 0.000 . 6.500 3.110 2.593 3.470 . 0 0 "[ . 1]" 1
1117 1 160 GLY QA 1 161 LYS H 0.000 . 4.500 2.401 2.173 2.884 . 0 0 "[ . 1]" 1
1118 1 160 GLY H 1 161 LYS H 0.000 . 3.500 3.037 2.437 3.678 0.178 10 0 "[ . 1]" 1
1119 1 161 LYS HA 1 162 LYS QB 0.000 . 6.000 4.294 3.963 4.594 . 0 0 "[ . 1]" 1
1120 1 161 LYS HA 1 162 LYS H 0.000 . 2.900 2.244 2.138 2.559 . 0 0 "[ . 1]" 1
1121 1 161 LYS HA 1 165 ASP HA 0.000 . 5.000 5.079 4.955 5.128 0.128 4 0 "[ . 1]" 1
1122 1 161 LYS HA 1 165 ASP QB 0.000 . 6.000 2.348 2.119 2.652 . 0 0 "[ . 1]" 1
1123 1 161 LYS QB 1 162 LYS H 0.000 . 4.500 3.325 2.129 3.773 . 0 0 "[ . 1]" 1
1124 1 161 LYS QB 1 165 ASP QB 0.000 . 7.000 2.384 1.943 3.149 . 0 0 "[ . 1]" 1
1125 1 161 LYS QD 1 165 ASP HA 0.000 . 6.000 4.368 3.498 5.413 . 0 0 "[ . 1]" 1
1126 1 161 LYS QD 1 165 ASP QB 0.000 . 7.000 2.665 1.856 3.889 . 0 0 "[ . 1]" 1
1127 1 161 LYS QD 1 167 LEU QB 0.000 . 5.300 3.579 2.771 3.999 . 0 0 "[ . 1]" 1
1128 1 161 LYS QD 1 167 LEU MD2 0.000 . 7.500 4.422 3.608 5.069 . 0 0 "[ . 1]" 1
1129 1 161 LYS QE 1 167 LEU QB 0.000 . 7.000 2.812 2.079 3.833 . 0 0 "[ . 1]" 1
1130 1 161 LYS QE 1 167 LEU MD1 0.000 . 5.200 2.113 1.882 2.683 . 0 0 "[ . 1]" 1
1131 1 161 LYS QE 1 167 LEU MD2 0.000 . 5.800 3.358 2.642 3.799 . 0 0 "[ . 1]" 1
1132 1 161 LYS QG 1 165 ASP QB 0.000 . 7.000 3.707 2.151 4.492 . 0 0 "[ . 1]" 1
1133 1 161 LYS QG 1 167 LEU MD1 0.000 . 7.500 3.393 2.583 4.369 . 0 0 "[ . 1]" 1
1134 1 161 LYS QG 1 167 LEU MD2 0.000 . 7.500 3.855 3.051 4.734 . 0 0 "[ . 1]" 1
1135 1 162 LYS QD 1 165 ASP QB 0.000 . 7.000 4.907 3.598 5.667 . 0 0 "[ . 1]" 1
1136 1 162 LYS H 1 165 ASP QB 0.000 . 6.000 2.348 1.681 3.301 . 0 0 "[ . 1]" 1
1137 1 163 ASP HA 1 164 ASP HA 0.000 . 5.000 4.567 4.451 4.678 . 0 0 "[ . 1]" 1
1138 1 163 ASP QB 1 164 ASP H 0.000 . 6.000 2.158 1.667 3.733 . 0 0 "[ . 1]" 1
1139 1 164 ASP HA 1 165 ASP HA 0.000 . 5.000 4.457 4.307 5.060 0.060 7 0 "[ . 1]" 1
1140 1 164 ASP HA 1 165 ASP H 0.000 . 2.900 2.617 2.343 3.162 0.262 7 0 "[ . 1]" 1
1141 1 164 ASP QB 1 165 ASP HA 0.000 . 6.000 4.429 3.822 4.844 . 0 0 "[ . 1]" 1
1142 1 164 ASP H 1 165 ASP H 0.000 . 3.500 3.467 3.057 3.668 0.168 7 0 "[ . 1]" 1
1143 1 165 ASP HA 1 166 LYS HA 0.000 . 5.000 4.520 4.445 4.643 . 0 0 "[ . 1]" 1
1144 1 165 ASP HA 1 166 LYS QB 0.000 . 6.000 4.686 4.527 4.858 . 0 0 "[ . 1]" 1
1145 1 165 ASP HA 1 166 LYS QD 0.000 . 6.000 4.477 2.943 5.441 . 0 0 "[ . 1]" 1
1146 1 165 ASP HA 1 166 LYS H 0.000 . 2.900 2.291 2.153 2.551 . 0 0 "[ . 1]" 1
1147 1 165 ASP QB 1 166 LYS HA 0.000 . 6.000 4.564 4.400 4.907 . 0 0 "[ . 1]" 1
1148 1 165 ASP QB 1 166 LYS H 0.000 . 4.500 3.905 3.678 4.046 . 0 0 "[ . 1]" 1
1149 1 165 ASP H 1 166 LYS H 0.000 . 3.500 3.528 2.853 3.786 0.286 10 0 "[ . 1]" 1
1150 1 166 LYS HA 1 167 LEU HA 0.000 . 5.000 4.383 4.349 4.418 . 0 0 "[ . 1]" 1
1151 1 166 LYS HA 1 167 LEU H 0.000 . 2.900 2.248 2.126 2.337 . 0 0 "[ . 1]" 1
1152 1 166 LYS QB 1 167 LEU H 0.000 . 3.900 2.910 2.480 3.381 . 0 0 "[ . 1]" 1
1153 1 166 LYS H 1 167 LEU H 0.000 . 5.000 4.597 4.489 4.655 . 0 0 "[ . 1]" 1
1154 1 167 LEU HA 1 168 THR H 0.000 . 2.900 2.142 2.078 2.272 . 0 0 "[ . 1]" 1
1155 1 167 LEU QB 1 168 THR H 0.000 . 3.900 3.685 3.540 3.797 . 0 0 "[ . 1]" 1
1156 1 167 LEU MD1 1 171 GLU HA 0.000 . 7.500 4.641 4.088 5.062 . 0 0 "[ . 1]" 1
1157 1 167 LEU MD1 1 172 PHE HA 0.000 . 6.500 2.993 2.289 3.510 . 0 0 "[ . 1]" 1
1158 1 167 LEU MD1 1 172 PHE QB 0.000 . 7.500 3.602 2.809 4.337 . 0 0 "[ . 1]" 1
1159 1 167 LEU MD1 1 172 PHE QD 0.000 . 6.800 4.155 3.868 4.424 . 0 0 "[ . 1]" 1
1160 1 167 LEU MD1 1 172 PHE QE 0.000 . 8.500 5.820 5.617 6.108 . 0 0 "[ . 1]" 1
1161 1 167 LEU MD1 1 172 PHE H 0.000 . 6.500 3.405 2.463 4.220 . 0 0 "[ . 1]" 1
1162 1 167 LEU MD2 1 168 THR H 0.000 . 5.000 4.412 4.127 4.583 . 0 0 "[ . 1]" 1
1163 1 167 LEU MD2 1 171 GLU HA 0.000 . 6.500 5.992 5.772 6.162 . 0 0 "[ . 1]" 1
1164 1 167 LEU MD2 1 171 GLU QB 0.000 . 5.800 4.118 3.835 4.302 . 0 0 "[ . 1]" 1
1165 1 167 LEU MD2 1 171 GLU H 0.000 . 6.500 6.088 5.672 6.367 . 0 0 "[ . 1]" 1
1166 1 167 LEU MD2 1 172 PHE HA 0.000 . 6.500 2.230 2.145 2.607 . 0 0 "[ . 1]" 1
1167 1 167 LEU MD2 1 172 PHE QB 0.000 . 7.500 2.823 2.535 3.274 . 0 0 "[ . 1]" 1
1168 1 167 LEU MD2 1 172 PHE H 0.000 . 6.500 4.027 3.658 4.298 . 0 0 "[ . 1]" 1
1169 1 167 LEU H 1 168 THR H 0.000 . 5.000 4.513 4.416 4.587 . 0 0 "[ . 1]" 1
1170 1 168 THR HA 1 169 GLU H 0.000 . 2.900 2.333 2.314 2.355 . 0 0 "[ . 1]" 1
1171 1 168 THR MG 1 169 GLU H 0.000 . 5.000 3.369 2.031 3.953 . 0 0 "[ . 1]" 1
1172 1 168 THR MG 1 171 GLU QG 0.000 . 7.500 3.899 3.329 4.488 . 0 0 "[ . 1]" 1
1173 1 168 THR H 1 171 GLU QB 0.000 . 4.500 2.929 2.584 3.640 . 0 0 "[ . 1]" 1
1174 1 168 THR H 1 171 GLU H 0.000 . 5.000 4.394 4.187 4.607 . 0 0 "[ . 1]" 1
1175 1 169 GLU HA 1 172 PHE QB 0.000 . 4.300 2.525 2.127 2.847 . 0 0 "[ . 1]" 1
1176 1 169 GLU HA 1 172 PHE H 0.000 . 5.000 3.792 3.327 4.119 . 0 0 "[ . 1]" 1
1177 1 169 GLU HA 1 173 ILE MD 0.000 . 6.500 4.728 4.474 5.093 . 0 0 "[ . 1]" 1
1178 1 169 GLU H 1 170 LYS H 0.000 . 3.500 2.826 2.605 3.090 . 0 0 "[ . 1]" 1
1179 1 170 LYS HA 1 173 ILE HB 0.000 . 5.000 3.663 3.428 3.949 . 0 0 "[ . 1]" 1
1180 1 170 LYS HA 1 173 ILE MD 0.000 . 6.500 2.409 2.123 2.796 . 0 0 "[ . 1]" 1
1181 1 170 LYS HA 1 173 ILE MG 0.000 . 6.500 4.836 4.525 5.083 . 0 0 "[ . 1]" 1
1182 1 170 LYS HA 1 173 ILE H 0.000 . 3.500 3.625 3.577 3.718 0.218 10 0 "[ . 1]" 1
1183 1 170 LYS QB 1 171 GLU H 0.000 . 4.500 2.226 1.818 2.529 . 0 0 "[ . 1]" 1
1184 1 170 LYS H 1 171 GLU H 0.000 . 2.900 2.921 2.834 2.998 0.098 3 0 "[ . 1]" 1
1185 1 171 GLU HA 1 172 PHE H 0.000 . 5.000 3.527 3.477 3.558 . 0 0 "[ . 1]" 1
1186 1 171 GLU HA 1 174 GLU QB 0.000 . 4.300 2.495 2.163 2.904 . 0 0 "[ . 1]" 1
1187 1 171 GLU HA 1 174 GLU H 0.000 . 3.500 2.821 2.684 2.993 . 0 0 "[ . 1]" 1
1188 1 171 GLU QB 1 172 PHE H 0.000 . 4.500 2.568 2.416 2.705 . 0 0 "[ . 1]" 1
1189 1 171 GLU QB 1 174 GLU H 0.000 . 4.500 4.212 4.172 4.273 . 0 0 "[ . 1]" 1
1190 1 171 GLU H 1 172 PHE H 0.000 . 2.900 2.775 2.639 2.910 0.010 3 0 "[ . 1]" 1
1191 1 172 PHE HA 1 173 ILE H 0.000 . 5.000 3.500 3.482 3.525 . 0 0 "[ . 1]" 1
1192 1 172 PHE HA 1 175 GLY H 0.000 . 3.500 3.496 3.270 3.663 0.163 10 0 "[ . 1]" 1
1193 1 172 PHE HA 1 176 THR MG 0.000 . 6.500 3.919 3.686 4.277 . 0 0 "[ . 1]" 1
1194 1 172 PHE QB 1 173 ILE H 0.000 . 6.000 2.664 2.551 2.801 . 0 0 "[ . 1]" 1
1195 1 172 PHE QD 1 173 ILE HA 0.000 . 7.000 3.072 2.729 3.595 . 0 0 "[ . 1]" 1
1196 1 172 PHE QD 1 173 ILE MG 0.000 . 8.500 4.290 3.935 4.621 . 0 0 "[ . 1]" 1
1197 1 172 PHE QD 1 173 ILE H 0.000 . 7.000 3.354 3.055 3.619 . 0 0 "[ . 1]" 1
1198 1 172 PHE QD 1 176 THR MG 0.000 . 6.800 3.707 3.349 4.135 . 0 0 "[ . 1]" 1
1199 1 172 PHE QE 1 176 THR MG 0.000 . 8.500 3.307 2.711 4.089 . 0 0 "[ . 1]" 1
1200 1 172 PHE QE 1 186 ILE MD 0.000 . 6.800 3.671 3.074 4.380 . 0 0 "[ . 1]" 1
1201 1 172 PHE H 1 173 ILE HB 0.000 . 5.000 5.050 4.972 5.097 0.097 1 0 "[ . 1]" 1
1202 1 172 PHE H 1 173 ILE H 0.000 . 3.500 2.754 2.700 2.824 . 0 0 "[ . 1]" 1
1203 1 173 ILE HA 1 174 GLU HA 0.000 . 5.000 4.671 4.648 4.694 . 0 0 "[ . 1]" 1
1204 1 173 ILE HA 1 174 GLU H 0.000 . 5.000 3.497 3.474 3.520 . 0 0 "[ . 1]" 1
1205 1 173 ILE HA 1 176 THR HB 0.000 . 5.000 4.800 4.446 5.055 0.055 10 0 "[ . 1]" 1
1206 1 173 ILE HA 1 176 THR H 0.000 . 3.500 3.633 3.612 3.674 0.174 3 0 "[ . 1]" 1
1207 1 173 ILE HB 1 174 GLU HA 0.000 . 5.000 4.234 4.186 4.295 . 0 0 "[ . 1]" 1
1208 1 173 ILE MD 1 174 GLU QG 0.000 . 5.800 4.162 4.119 4.204 . 0 0 "[ . 1]" 1
1209 1 173 ILE MG 1 174 GLU HA 0.000 . 4.800 3.669 3.463 3.804 . 0 0 "[ . 1]" 1
1210 1 173 ILE MG 1 174 GLU QG 0.000 . 7.500 3.687 3.426 3.881 . 0 0 "[ . 1]" 1
1211 1 173 ILE MG 1 174 GLU H 0.000 . 5.000 3.732 3.578 3.853 . 0 0 "[ . 1]" 1
1212 1 173 ILE MG 1 177 LEU QB 0.000 . 5.800 3.327 3.113 3.484 . 0 0 "[ . 1]" 1
1213 1 173 ILE H 1 174 GLU H 0.000 . 3.500 2.393 2.227 2.575 . 0 0 "[ . 1]" 1
1214 1 174 GLU HA 1 177 LEU MD2 0.000 . 6.500 3.702 3.053 4.161 . 0 0 "[ . 1]" 1
1215 1 174 GLU QB 1 175 GLY H 0.000 . 6.000 2.488 2.367 2.652 . 0 0 "[ . 1]" 1
1216 1 174 GLU QB 1 177 LEU MD1 0.000 . 7.500 5.175 3.996 5.684 . 0 0 "[ . 1]" 1
1217 1 174 GLU QB 1 177 LEU H 0.000 . 4.500 4.219 4.166 4.284 . 0 0 "[ . 1]" 1
1218 1 175 GLY QA 1 176 THR H 0.000 . 3.900 2.794 2.717 2.823 . 0 0 "[ . 1]" 1
1219 1 175 GLY QA 1 178 ALA MB 0.000 . 5.800 3.661 3.394 3.841 . 0 0 "[ . 1]" 1
1220 1 175 GLY QA 1 182 ILE MD 0.000 . 7.500 3.782 3.207 4.258 . 0 0 "[ . 1]" 1
1221 1 175 GLY H 1 176 THR H 0.000 . 3.500 2.667 2.608 2.732 . 0 0 "[ . 1]" 1
1222 1 176 THR HA 1 179 ASN H 0.000 . 5.000 4.210 3.131 4.899 . 0 0 "[ . 1]" 1
1223 1 176 THR HA 1 182 ILE HB 0.000 . 5.000 3.161 2.847 3.612 . 0 0 "[ . 1]" 1
1224 1 176 THR HA 1 182 ILE MD 0.000 . 4.800 2.493 2.092 2.886 . 0 0 "[ . 1]" 1
1225 1 176 THR HA 1 182 ILE MG 0.000 . 4.800 3.403 2.959 3.794 . 0 0 "[ . 1]" 1
1226 1 176 THR HB 1 182 ILE HB 0.000 . 5.000 4.070 2.728 5.056 0.056 3 0 "[ . 1]" 1
1227 1 176 THR HB 1 182 ILE MG 0.000 . 4.800 3.751 2.770 3.898 . 0 0 "[ . 1]" 1
1228 1 176 THR MG 1 177 LEU H 0.000 . 6.500 3.782 2.713 4.094 . 0 0 "[ . 1]" 1
1229 1 176 THR MG 1 182 ILE HB 0.000 . 6.500 3.873 3.370 4.778 . 0 0 "[ . 1]" 1
1230 1 176 THR MG 1 182 ILE MD 0.000 . 6.300 3.227 2.644 4.057 . 0 0 "[ . 1]" 1
1231 1 176 THR MG 1 182 ILE MG 0.000 . 5.700 2.704 2.330 3.921 . 0 0 "[ . 1]" 1
1232 1 176 THR H 1 177 LEU H 0.000 . 5.000 2.210 2.161 2.287 . 0 0 "[ . 1]" 1
1233 1 177 LEU HA 1 178 ALA H 0.000 . 3.500 3.527 3.463 3.559 0.059 5 0 "[ . 1]" 1
1234 1 177 LEU QB 1 178 ALA H 0.000 . 4.500 2.365 1.828 2.845 . 0 0 "[ . 1]" 1
1235 1 177 LEU QD 1 178 ALA H 0.000 . 5.900 3.341 2.611 3.956 . 0 0 "[ . 1]" 1
1236 1 177 LEU H 1 178 ALA H 0.000 . 2.900 2.640 2.454 2.850 . 0 0 "[ . 1]" 1
1237 1 178 ALA HA 1 179 ASN H 0.000 . 3.500 3.444 2.766 3.560 0.060 4 0 "[ . 1]" 1
1238 1 178 ALA MB 1 179 ASN HA 0.000 . 6.500 3.869 3.717 4.266 . 0 0 "[ . 1]" 1
1239 1 178 ALA MB 1 179 ASN QB 0.000 . 7.500 3.759 3.082 5.084 . 0 0 "[ . 1]" 1
1240 1 178 ALA MB 1 179 ASN H 0.000 . 4.400 2.247 1.772 3.664 . 0 0 "[ . 1]" 1
1241 1 179 ASN HA 1 182 ILE MD 0.000 . 6.500 4.695 2.384 5.309 . 0 0 "[ . 1]" 1
1242 1 179 ASN HA 1 182 ILE QG 0.000 . 6.000 4.810 3.247 5.071 . 0 0 "[ . 1]" 1
1243 1 179 ASN QB 1 182 ILE MD 0.000 . 7.500 2.577 2.130 3.388 . 0 0 "[ . 1]" 1
1244 1 179 ASN QB 1 182 ILE QG 0.000 . 7.000 2.737 2.202 4.024 . 0 0 "[ . 1]" 1
1245 1 179 ASN H 1 182 ILE MD 0.000 . 6.500 4.007 2.738 4.425 . 0 0 "[ . 1]" 1
1246 1 180 LYS HA 1 183 LEU H 0.000 . 5.000 4.121 3.564 5.199 0.199 3 0 "[ . 1]" 1
1247 1 181 GLU HA 1 182 ILE H 0.000 . 5.000 3.340 3.188 3.484 . 0 0 "[ . 1]" 1
1248 1 181 GLU HA 1 184 ARG H 0.000 . 5.000 3.863 3.145 4.525 . 0 0 "[ . 1]" 1
1249 1 181 GLU QB 1 182 ILE HA 0.000 . 6.000 4.004 3.854 4.190 . 0 0 "[ . 1]" 1
1250 1 181 GLU QB 1 182 ILE MD 0.000 . 7.500 4.986 4.199 5.458 . 0 0 "[ . 1]" 1
1251 1 181 GLU QB 1 182 ILE H 0.000 . 6.000 3.157 2.830 3.446 . 0 0 "[ . 1]" 1
1252 1 181 GLU H 1 182 ILE H 0.000 . 3.500 2.371 1.450 3.057 . 0 0 "[ . 1]" 1
1253 1 182 ILE HA 1 183 LEU H 0.000 . 5.000 3.530 3.398 3.572 . 0 0 "[ . 1]" 1
1254 1 182 ILE HA 1 185 LEU QB 0.000 . 4.300 2.832 2.389 3.183 . 0 0 "[ . 1]" 1
1255 1 182 ILE HA 1 185 LEU MD1 0.000 . 6.500 4.927 3.542 5.703 . 0 0 "[ . 1]" 1
1256 1 182 ILE HA 1 185 LEU H 0.000 . 3.500 3.420 3.160 3.601 0.101 3 0 "[ . 1]" 1
1257 1 182 ILE HA 1 186 ILE MG 0.000 . 6.500 4.269 3.331 5.321 . 0 0 "[ . 1]" 1
1258 1 182 ILE HB 1 183 LEU H 0.000 . 5.000 2.557 1.927 3.366 . 0 0 "[ . 1]" 1
1259 1 182 ILE MD 1 186 ILE QG 0.000 . 7.500 5.210 4.937 5.377 . 0 0 "[ . 1]" 1
1260 1 182 ILE MG 1 183 LEU H 0.000 . 6.500 2.989 2.695 3.228 . 0 0 "[ . 1]" 1
1261 1 182 ILE MG 1 186 ILE HB 0.000 . 6.500 3.162 1.995 4.805 . 0 0 "[ . 1]" 1
1262 1 182 ILE MG 1 186 ILE QG 0.000 . 7.500 3.022 2.337 3.530 . 0 0 "[ . 1]" 1
1263 1 182 ILE MG 1 186 ILE MG 0.000 . 6.300 2.497 2.066 3.195 . 0 0 "[ . 1]" 1
1264 1 182 ILE H 1 183 LEU QD 0.000 . 7.400 4.586 2.874 5.559 . 0 0 "[ . 1]" 1
1265 1 182 ILE H 1 183 LEU H 0.000 . 3.500 2.562 2.356 2.905 . 0 0 "[ . 1]" 1
1266 1 183 LEU HA 1 186 ILE HB 0.000 . 5.000 4.389 3.104 4.998 . 0 0 "[ . 1]" 1
1267 1 183 LEU HA 1 186 ILE MD 0.000 . 4.800 3.465 2.689 3.863 . 0 0 "[ . 1]" 1
1268 1 183 LEU HA 1 186 ILE H 0.000 . 5.000 3.825 3.286 4.312 . 0 0 "[ . 1]" 1
1269 1 183 LEU QB 1 184 ARG H 0.000 . 3.900 2.437 2.090 2.994 . 0 0 "[ . 1]" 1
1270 1 183 LEU QD 1 184 ARG H 0.000 . 7.400 3.154 1.522 3.912 . 0 0 "[ . 1]" 1
1271 1 183 LEU H 1 184 ARG H 0.000 . 3.500 2.946 2.577 3.502 0.002 8 0 "[ . 1]" 1
1272 1 184 ARG HA 1 187 GLN H 0.000 . 5.000 4.019 3.760 4.242 . 0 0 "[ . 1]" 1
1273 1 184 ARG H 1 185 LEU H 0.000 . 3.500 2.731 2.563 2.949 . 0 0 "[ . 1]" 1
1274 1 185 LEU H 1 186 ILE H 0.000 . 2.900 2.634 2.259 2.921 0.021 4 0 "[ . 1]" 1
1275 1 186 ILE MD 1 187 GLN QG 0.000 . 7.500 5.026 4.243 5.522 . 0 0 "[ . 1]" 1
1276 1 186 ILE MD 1 188 PHE QD 0.000 . 6.800 3.685 2.838 4.287 . 0 0 "[ . 1]" 1
1277 1 186 ILE MG 1 187 GLN QB 0.000 . 7.500 4.235 2.893 5.494 . 0 0 "[ . 1]" 1
1278 1 186 ILE H 1 187 GLN H 0.000 . 3.500 2.765 2.536 2.937 . 0 0 "[ . 1]" 1
1279 1 187 GLN HA 1 188 PHE H 0.000 . 3.500 2.329 2.129 2.938 . 0 0 "[ . 1]" 1
1280 1 187 GLN QB 1 188 PHE H 0.000 . 4.500 3.639 1.773 4.048 . 0 0 "[ . 1]" 1
1281 1 188 PHE HA 1 189 GLU H 0.000 . 5.000 2.747 2.172 3.565 . 0 0 "[ . 1]" 1
1282 1 188 PHE QB 1 189 GLU H 0.000 . 6.000 3.288 2.595 4.048 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 84
_Distance_constraint_stats_list.Viol_count 105
_Distance_constraint_stats_list.Viol_total 125.730
_Distance_constraint_stats_list.Viol_max 0.613
_Distance_constraint_stats_list.Viol_rms 0.0543
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0150
_Distance_constraint_stats_list.Viol_average_violations_only 0.1197
_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 31 TRP 0.267 0.069 9 0 "[ . 1]"
1 35 PHE 0.000 0.000 . 0 "[ . 1]"
1 38 GLU 0.000 0.000 . 0 "[ . 1]"
1 44 ILE 0.000 0.000 . 0 "[ . 1]"
1 49 PHE 0.000 0.000 . 0 "[ . 1]"
1 52 ILE 0.000 0.000 . 0 "[ . 1]"
1 53 TYR 0.000 0.000 . 0 "[ . 1]"
1 56 PHE 0.000 0.000 . 0 "[ . 1]"
1 57 PHE 0.000 0.000 . 0 "[ . 1]"
1 73 PHE 0.000 0.000 . 0 "[ . 1]"
1 86 TYR 0.000 0.000 . 0 "[ . 1]"
1 89 ALA 0.000 0.000 . 0 "[ . 1]"
1 90 LEU 0.000 0.000 . 0 "[ . 1]"
2 4 GLY 0.110 0.110 7 0 "[ . 1]"
2 5 SER 1.661 0.352 9 0 "[ . 1]"
2 6 LEU 2.791 0.352 9 0 "[ . 1]"
2 7 GLU 4.069 0.613 7 2 "[ - . + 1]"
2 8 THR 0.641 0.139 10 0 "[ . 1]"
2 9 VAL 1.538 0.186 10 0 "[ . 1]"
2 10 VAL 5.276 0.613 7 2 "[ - . + 1]"
2 11 ALA 2.568 0.365 7 0 "[ . 1]"
2 12 ASN 1.858 0.263 6 0 "[ . 1]"
2 13 SER 2.089 0.263 6 0 "[ . 1]"
2 14 ALA 1.630 0.234 2 0 "[ . 1]"
2 15 PHE 0.648 0.107 7 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 35 PHE HA 2 14 ALA MB 0.000 . 5.000 4.069 3.962 4.200 . 0 0 "[ . 1]" 2
2 1 35 PHE QB 2 14 ALA MB 0.000 . 5.800 3.835 3.653 3.931 . 0 0 "[ . 1]" 2
3 1 35 PHE QD 2 14 ALA MB 0.000 . 6.400 2.393 2.169 2.680 . 0 0 "[ . 1]" 2
4 1 35 PHE QE 2 14 ALA MB 0.000 . 6.400 3.054 2.327 3.389 . 0 0 "[ . 1]" 2
5 1 35 PHE HZ 2 14 ALA MB 0.000 . 6.500 5.109 4.043 5.374 . 0 0 "[ . 1]" 2
6 1 38 GLU QB 2 14 ALA MB 0.000 . 5.800 4.209 4.103 4.343 . 0 0 "[ . 1]" 2
7 1 52 ILE HA 2 13 SER QB 0.000 . 4.300 3.185 2.526 3.815 . 0 0 "[ . 1]" 2
8 1 52 ILE HB 2 9 VAL MG1 0.000 . 6.500 5.015 4.637 5.457 . 0 0 "[ . 1]" 2
9 1 52 ILE MD 2 14 ALA MB 0.000 . 6.300 2.113 1.886 2.456 . 0 0 "[ . 1]" 2
10 1 52 ILE MG 2 14 ALA MB 0.000 . 8.000 3.805 3.140 4.289 . 0 0 "[ . 1]" 2
11 1 52 ILE MD 2 13 SER QB 0.000 . 6.800 2.990 2.423 3.897 . 0 0 "[ . 1]" 2
12 1 52 ILE MG 2 13 SER QB 0.000 . 6.800 1.943 1.815 2.090 . 0 0 "[ . 1]" 2
13 1 31 TRP HH2 2 7 GLU QG 0.000 . 6.000 3.979 3.035 4.907 . 0 0 "[ . 1]" 2
14 1 31 TRP HH2 2 11 ALA MB 0.000 . 4.400 2.304 1.980 2.570 . 0 0 "[ . 1]" 2
15 1 31 TRP HZ2 2 11 ALA MB 0.000 . 6.000 2.640 2.254 3.047 . 0 0 "[ . 1]" 2
16 1 31 TRP HZ3 2 11 ALA MB 0.000 . 4.300 3.681 3.566 3.758 . 0 0 "[ . 1]" 2
17 1 31 TRP HZ3 2 15 PHE HZ 0.000 . 5.000 4.823 3.961 5.069 0.069 9 0 "[ . 1]" 2
18 1 44 ILE MD 2 14 ALA MB 0.000 . 6.300 3.152 2.137 3.899 . 0 0 "[ . 1]" 2
19 1 44 ILE MG 2 14 ALA MB 0.000 . 6.300 4.193 4.121 4.364 . 0 0 "[ . 1]" 2
20 1 49 PHE QD 2 14 ALA MB 0.000 . 6.800 5.245 4.966 5.437 . 0 0 "[ . 1]" 2
21 1 49 PHE QE 2 10 VAL MG1 0.000 . 6.800 3.112 1.950 5.001 . 0 0 "[ . 1]" 2
22 1 49 PHE HZ 2 10 VAL MG1 0.000 . 6.500 2.869 1.999 4.598 . 0 0 "[ . 1]" 2
23 1 52 ILE MD 2 9 VAL MG1 0.000 . 8.000 4.717 4.252 5.342 . 0 0 "[ . 1]" 2
24 1 52 ILE MG 2 9 VAL MG1 0.000 . 5.900 2.727 2.402 3.605 . 0 0 "[ . 1]" 2
25 1 52 ILE MG 2 9 VAL MG2 0.000 . 6.300 4.340 3.710 4.700 . 0 0 "[ . 1]" 2
26 1 52 ILE MG 2 10 VAL MG1 0.000 . 6.300 3.028 2.425 4.190 . 0 0 "[ . 1]" 2
27 1 52 ILE MG 2 10 VAL MG2 0.000 . 6.300 2.812 2.217 3.461 . 0 0 "[ . 1]" 2
28 1 53 TYR QD 2 9 VAL MG1 0.000 . 8.500 4.073 3.576 4.258 . 0 0 "[ . 1]" 2
29 1 53 TYR QE 2 9 VAL MG1 0.000 . 6.400 3.734 3.441 4.143 . 0 0 "[ . 1]" 2
30 1 53 TYR QE 2 9 VAL MG2 0.000 . 6.800 5.299 5.082 5.489 . 0 0 "[ . 1]" 2
31 1 53 TYR QE 2 10 VAL MG1 0.000 . 6.800 3.068 2.450 3.635 . 0 0 "[ . 1]" 2
32 1 53 TYR QE 2 10 VAL MG2 0.000 . 6.800 2.004 1.906 2.313 . 0 0 "[ . 1]" 2
33 1 56 PHE QB 2 9 VAL MG1 0.000 . 5.800 2.496 1.887 3.459 . 0 0 "[ . 1]" 2
34 1 56 PHE QD 2 13 SER QB 0.000 . 6.300 3.080 2.662 3.756 . 0 0 "[ . 1]" 2
35 1 56 PHE QD 2 9 VAL MG1 0.000 . 6.400 3.413 2.438 4.394 . 0 0 "[ . 1]" 2
36 1 56 PHE QD 2 9 VAL MG2 0.000 . 6.800 2.387 2.065 3.086 . 0 0 "[ . 1]" 2
37 1 56 PHE QE 2 13 SER QB 0.000 . 6.300 2.700 2.068 3.359 . 0 0 "[ . 1]" 2
38 1 56 PHE QE 2 9 VAL MG1 0.000 . 6.800 4.426 3.351 5.295 . 0 0 "[ . 1]" 2
39 1 56 PHE QE 2 9 VAL MG2 0.000 . 6.800 3.799 3.337 4.177 . 0 0 "[ . 1]" 2
40 1 56 PHE HZ 2 13 SER QB 0.000 . 6.000 3.829 3.184 5.033 . 0 0 "[ . 1]" 2
41 1 57 PHE QD 2 9 VAL MG1 0.000 . 8.500 3.515 3.092 3.900 . 0 0 "[ . 1]" 2
42 1 57 PHE HZ 2 9 VAL MG1 0.000 . 4.800 2.311 2.079 2.795 . 0 0 "[ . 1]" 2
43 1 73 PHE HZ 2 10 VAL MG2 0.000 . 6.500 5.507 5.366 5.729 . 0 0 "[ . 1]" 2
44 1 86 TYR QD 2 14 ALA MB 0.000 . 6.400 3.955 3.476 4.372 . 0 0 "[ . 1]" 2
45 1 86 TYR QE 2 11 ALA MB 0.000 . 6.800 3.731 3.296 4.036 . 0 0 "[ . 1]" 2
46 1 86 TYR QE 2 10 VAL MG2 0.000 . 6.800 3.986 2.301 4.709 . 0 0 "[ . 1]" 2
47 1 89 ALA MB 2 10 VAL MG2 0.000 . 6.500 4.355 4.247 4.497 . 0 0 "[ . 1]" 2
48 1 90 LEU HA 2 10 VAL MG1 0.000 . 6.500 4.417 3.542 4.863 . 0 0 "[ . 1]" 2
49 1 90 LEU HA 2 10 VAL MG2 0.000 . 6.500 4.536 3.773 5.103 . 0 0 "[ . 1]" 2
50 1 90 LEU MD1 2 11 ALA MB 0.000 . 5.900 2.181 1.896 2.537 . 0 0 "[ . 1]" 2
51 1 90 LEU MD2 2 7 GLU QG 0.000 . 5.800 4.049 3.627 4.726 . 0 0 "[ . 1]" 2
52 1 90 LEU MD2 2 14 ALA MB 0.000 . 8.000 4.849 4.385 5.028 . 0 0 "[ . 1]" 2
53 1 90 LEU MD2 2 11 ALA MB 0.000 . 5.900 3.982 3.797 4.180 . 0 0 "[ . 1]" 2
54 1 90 LEU MD2 2 10 VAL MG1 0.000 . 6.300 2.015 1.728 2.763 . 0 0 "[ . 1]" 2
55 1 90 LEU MD2 2 10 VAL HB 0.000 . 4.800 2.807 2.105 4.087 . 0 0 "[ . 1]" 2
56 2 4 GLY H 2 5 SER H 0.000 . 2.500 2.378 2.264 2.610 0.110 7 0 "[ . 1]" 2
57 2 4 GLY QA 2 7 GLU H 0.000 . 6.000 3.258 2.824 3.598 . 0 0 "[ . 1]" 2
58 2 4 GLY QA 2 7 GLU QB 0.000 . 5.300 2.912 2.183 3.421 . 0 0 "[ . 1]" 2
59 2 5 SER H 2 6 LEU H 0.000 . 2.500 2.655 2.514 2.852 0.352 9 0 "[ . 1]" 2
60 2 5 SER HA 2 8 THR H 0.000 . 5.000 3.294 3.042 3.418 . 0 0 "[ . 1]" 2
61 2 5 SER HA 2 8 THR HB 0.000 . 3.300 2.551 2.156 3.142 . 0 0 "[ . 1]" 2
62 2 6 LEU H 2 7 GLU H 0.000 . 2.500 2.611 2.568 2.700 0.200 9 0 "[ . 1]" 2
63 2 6 LEU HA 2 9 VAL H 0.000 . 5.000 3.518 3.353 3.810 . 0 0 "[ . 1]" 2
64 2 6 LEU HA 2 9 VAL HB 0.000 . 3.300 2.974 2.550 3.383 0.083 7 0 "[ . 1]" 2
65 2 7 GLU H 2 8 THR H 0.000 . 2.500 2.507 2.366 2.586 0.086 7 0 "[ . 1]" 2
66 2 7 GLU HA 2 10 VAL H 0.000 . 5.000 3.618 3.403 3.795 . 0 0 "[ . 1]" 2
67 2 7 GLU HA 2 10 VAL HB 0.000 . 3.300 3.567 3.307 3.913 0.613 7 2 "[ - . + 1]" 2
68 2 8 THR H 2 9 VAL H 0.000 . 2.500 2.520 2.405 2.639 0.139 10 0 "[ . 1]" 2
69 2 8 THR HA 2 11 ALA H 0.000 . 5.000 3.856 3.660 4.099 . 0 0 "[ . 1]" 2
70 2 8 THR HA 2 11 ALA MB 0.000 . 4.800 2.952 2.685 3.369 . 0 0 "[ . 1]" 2
71 2 9 VAL H 2 10 VAL H 0.000 . 2.500 2.604 2.479 2.686 0.186 10 0 "[ . 1]" 2
72 2 9 VAL HA 2 12 ASN H 0.000 . 5.000 3.805 3.455 4.042 . 0 0 "[ . 1]" 2
73 2 9 VAL HA 2 12 ASN QB 0.000 . 4.300 3.053 2.633 3.617 . 0 0 "[ . 1]" 2
74 2 10 VAL H 2 11 ALA H 0.000 . 2.500 2.655 2.523 2.865 0.365 7 0 "[ . 1]" 2
75 2 10 VAL HA 2 13 SER H 0.000 . 5.000 3.848 3.496 4.176 . 0 0 "[ . 1]" 2
76 2 10 VAL HA 2 13 SER QB 0.000 . 4.300 3.108 2.670 3.671 . 0 0 "[ . 1]" 2
77 2 11 ALA H 2 12 ASN H 0.000 . 2.500 2.602 2.513 2.725 0.225 4 0 "[ . 1]" 2
78 2 11 ALA HA 2 14 ALA H 0.000 . 5.000 3.638 3.333 3.843 . 0 0 "[ . 1]" 2
79 2 11 ALA HA 2 14 ALA MB 0.000 . 4.400 3.237 2.905 3.415 . 0 0 "[ . 1]" 2
80 2 12 ASN H 2 13 SER H 0.000 . 2.500 2.579 2.465 2.763 0.263 6 0 "[ . 1]" 2
81 2 12 ASN HA 2 15 PHE H 0.000 . 5.000 3.558 3.359 3.752 . 0 0 "[ . 1]" 2
82 2 12 ASN HA 2 15 PHE QB 0.000 . 4.300 2.302 2.074 2.832 . 0 0 "[ . 1]" 2
83 2 13 SER H 2 14 ALA H 0.000 . 2.500 2.622 2.466 2.734 0.234 2 0 "[ . 1]" 2
84 2 14 ALA H 2 15 PHE H 0.000 . 2.500 2.516 2.308 2.607 0.107 7 0 "[ . 1]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 142
_Distance_constraint_stats_list.Viol_count 442
_Distance_constraint_stats_list.Viol_total 270.173
_Distance_constraint_stats_list.Viol_max 0.287
_Distance_constraint_stats_list.Viol_rms 0.0383
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0190
_Distance_constraint_stats_list.Viol_average_violations_only 0.0611
_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 9 LEU 0.098 0.082 4 0 "[ . 1]"
1 10 SER 0.000 0.000 . 0 "[ . 1]"
1 11 LYS 0.000 0.000 . 0 "[ . 1]"
1 12 GLU 0.475 0.146 8 0 "[ . 1]"
1 13 ILE 1.292 0.287 5 0 "[ . 1]"
1 14 LEU 0.000 0.000 . 0 "[ . 1]"
1 15 GLU 0.000 0.000 . 0 "[ . 1]"
1 16 GLU 0.475 0.146 8 0 "[ . 1]"
1 17 LEU 1.194 0.287 5 0 "[ . 1]"
1 26 GLU 0.720 0.105 1 0 "[ . 1]"
1 27 GLU 0.009 0.009 7 0 "[ . 1]"
1 28 LEU 0.000 0.000 . 0 "[ . 1]"
1 29 SER 0.152 0.064 6 0 "[ . 1]"
1 30 SER 0.720 0.105 1 0 "[ . 1]"
1 31 TRP 0.009 0.009 7 0 "[ . 1]"
1 32 TYR 0.113 0.052 2 0 "[ . 1]"
1 33 GLN 0.727 0.080 2 0 "[ . 1]"
1 34 SER 0.000 0.000 . 0 "[ . 1]"
1 35 PHE 0.000 0.000 . 0 "[ . 1]"
1 36 LEU 0.113 0.052 2 0 "[ . 1]"
1 37 LYS 0.575 0.080 2 0 "[ . 1]"
1 44 ILE 0.615 0.136 9 0 "[ . 1]"
1 46 ARG 0.000 0.000 . 0 "[ . 1]"
1 47 GLN 0.861 0.158 10 0 "[ . 1]"
1 48 GLU 0.587 0.128 6 0 "[ . 1]"
1 49 PHE 0.914 0.126 3 0 "[ . 1]"
1 50 GLN 0.240 0.086 4 0 "[ . 1]"
1 51 THR 1.015 0.158 10 0 "[ . 1]"
1 52 ILE 0.899 0.128 6 0 "[ . 1]"
1 53 TYR 0.914 0.126 3 0 "[ . 1]"
1 54 SER 0.240 0.086 4 0 "[ . 1]"
1 55 LYS 0.155 0.064 8 0 "[ . 1]"
1 56 PHE 0.312 0.062 9 0 "[ . 1]"
1 63 LYS 0.017 0.011 8 0 "[ . 1]"
1 64 ALA 0.097 0.063 4 0 "[ . 1]"
1 65 TYR 0.000 0.000 . 0 "[ . 1]"
1 66 ALA 1.479 0.229 2 0 "[ . 1]"
1 67 GLN 0.906 0.146 2 0 "[ . 1]"
1 68 HIS 0.270 0.115 9 0 "[ . 1]"
1 69 VAL 0.450 0.118 1 0 "[ . 1]"
1 70 PHE 1.479 0.229 2 0 "[ . 1]"
1 71 ARG 0.889 0.146 2 0 "[ . 1]"
1 72 SER 0.173 0.115 9 0 "[ . 1]"
1 73 PHE 0.450 0.118 1 0 "[ . 1]"
1 81 LEU 0.615 0.136 9 0 "[ . 1]"
1 83 PHE 0.002 0.002 6 0 "[ . 1]"
1 84 LYS 0.517 0.115 6 0 "[ . 1]"
1 85 GLU 0.149 0.059 6 0 "[ . 1]"
1 86 TYR 0.218 0.094 9 0 "[ . 1]"
1 87 VAL 0.002 0.002 6 0 "[ . 1]"
1 88 ILE 0.667 0.115 6 0 "[ . 1]"
1 89 ALA 0.436 0.062 6 0 "[ . 1]"
1 90 LEU 0.218 0.094 9 0 "[ . 1]"
1 91 HIS 0.000 0.000 . 0 "[ . 1]"
1 92 MET 0.149 0.058 2 0 "[ . 1]"
1 93 THR 0.287 0.062 6 0 "[ . 1]"
1 101 LYS 0.579 0.122 4 0 "[ . 1]"
1 102 LEU 0.144 0.085 9 0 "[ . 1]"
1 104 TRP 0.808 0.111 7 0 "[ . 1]"
1 105 ALA 0.579 0.122 4 0 "[ . 1]"
1 106 PHE 0.144 0.085 9 0 "[ . 1]"
1 108 LEU 0.808 0.111 7 0 "[ . 1]"
1 109 TYR 0.000 0.000 . 0 "[ . 1]"
1 117 ILE 0.809 0.152 1 0 "[ . 1]"
1 118 SER 0.084 0.033 3 0 "[ . 1]"
1 119 LYS 0.377 0.128 7 0 "[ . 1]"
1 121 GLU 1.076 0.162 1 0 "[ . 1]"
1 122 VAL 0.084 0.033 3 0 "[ . 1]"
1 123 LEU 0.377 0.128 7 0 "[ . 1]"
1 124 GLU 0.000 0.000 . 0 "[ . 1]"
1 125 ILE 1.076 0.162 1 0 "[ . 1]"
1 126 VAL 0.000 0.000 . 0 "[ . 1]"
1 127 THR 0.366 0.079 1 0 "[ . 1]"
1 128 ALA 0.696 0.127 8 0 "[ . 1]"
1 129 ILE 0.789 0.115 3 0 "[ . 1]"
1 130 PHE 0.000 0.000 . 0 "[ . 1]"
1 131 LYS 0.366 0.079 1 0 "[ . 1]"
1 132 MET 0.696 0.127 8 0 "[ . 1]"
1 133 ILE 0.789 0.115 3 0 "[ . 1]"
1 147 THR 0.000 0.000 . 0 "[ . 1]"
1 151 ARG 0.045 0.027 3 0 "[ . 1]"
1 152 ALA 0.075 0.068 10 0 "[ . 1]"
1 153 GLU 0.052 0.021 10 0 "[ . 1]"
1 154 LYS 0.568 0.166 10 0 "[ . 1]"
1 155 ILE 0.045 0.027 3 0 "[ . 1]"
1 156 TRP 0.914 0.168 10 0 "[ . 1]"
1 157 GLY 0.052 0.021 10 0 "[ . 1]"
1 158 PHE 0.568 0.166 10 0 "[ . 1]"
1 160 GLY 0.839 0.168 10 0 "[ . 1]"
1 167 LEU 0.809 0.152 1 0 "[ . 1]"
1 173 ILE 0.531 0.075 10 0 "[ . 1]"
1 174 GLU 0.000 0.000 . 0 "[ . 1]"
1 177 LEU 0.531 0.075 10 0 "[ . 1]"
1 178 ALA 0.000 0.000 . 0 "[ . 1]"
1 182 ILE 0.046 0.045 10 0 "[ . 1]"
1 183 LEU 0.141 0.060 1 0 "[ . 1]"
1 186 ILE 0.046 0.045 10 0 "[ . 1]"
1 187 GLN 0.141 0.060 1 0 "[ . 1]"
2 4 GLY 0.120 0.049 1 0 "[ . 1]"
2 5 SER 0.992 0.261 7 0 "[ . 1]"
2 6 LEU 1.731 0.211 9 0 "[ . 1]"
2 7 GLU 0.600 0.208 7 0 "[ . 1]"
2 8 THR 0.518 0.208 10 0 "[ . 1]"
2 9 VAL 1.204 0.261 7 0 "[ . 1]"
2 10 VAL 2.955 0.211 9 0 "[ . 1]"
2 11 ALA 1.369 0.208 7 0 "[ . 1]"
2 12 ASN 1.898 0.208 10 0 "[ . 1]"
2 13 SER 0.212 0.083 1 0 "[ . 1]"
2 14 ALA 1.224 0.163 7 0 "[ . 1]"
2 15 PHE 0.769 0.182 10 0 "[ . 1]"
2 16 ILE 1.500 0.184 8 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 LEU O 1 13 ILE N 0.000 . 3.300 3.078 2.856 3.301 0.001 4 0 "[ . 1]" 3
2 1 9 LEU O 1 13 ILE H 0.000 . 2.300 2.163 1.959 2.382 0.082 4 0 "[ . 1]" 3
3 1 10 SER O 1 14 LEU N 0.000 . 3.300 2.583 2.402 2.804 . 0 0 "[ . 1]" 3
4 1 10 SER O 1 14 LEU H 0.000 . 2.300 1.640 1.452 1.862 . 0 0 "[ . 1]" 3
5 1 11 LYS O 1 15 GLU N 0.000 . 3.300 2.840 2.555 3.154 . 0 0 "[ . 1]" 3
6 1 11 LYS O 1 15 GLU H 0.000 . 2.300 1.930 1.614 2.266 . 0 0 "[ . 1]" 3
7 1 12 GLU O 1 16 GLU N 0.000 . 3.300 3.044 2.825 3.191 . 0 0 "[ . 1]" 3
8 1 12 GLU O 1 16 GLU H 0.000 . 2.300 2.323 2.117 2.446 0.146 8 0 "[ . 1]" 3
9 1 13 ILE O 1 17 LEU N 0.000 . 3.300 3.056 2.835 3.312 0.012 10 0 "[ . 1]" 3
10 1 13 ILE O 1 17 LEU H 0.000 . 2.300 2.410 2.228 2.587 0.287 5 0 "[ . 1]" 3
11 1 26 GLU O 1 30 SER N 0.000 . 3.300 3.300 3.216 3.357 0.057 1 0 "[ . 1]" 3
12 1 26 GLU O 1 30 SER H 0.000 . 2.300 2.356 2.277 2.405 0.105 1 0 "[ . 1]" 3
13 1 27 GLU O 1 31 TRP N 0.000 . 3.300 3.056 2.822 3.254 . 0 0 "[ . 1]" 3
14 1 27 GLU O 1 31 TRP H 0.000 . 2.300 2.114 1.905 2.309 0.009 7 0 "[ . 1]" 3
15 1 28 LEU O 1 32 TYR N 0.000 . 3.300 3.024 2.877 3.148 . 0 0 "[ . 1]" 3
16 1 28 LEU O 1 32 TYR H 0.000 . 2.300 2.052 1.916 2.177 . 0 0 "[ . 1]" 3
17 1 29 SER O 1 33 GLN N 0.000 . 3.300 3.170 2.945 3.296 . 0 0 "[ . 1]" 3
18 1 29 SER O 1 33 GLN H 0.000 . 2.300 2.239 2.068 2.364 0.064 6 0 "[ . 1]" 3
19 1 30 SER O 1 34 SER N 0.000 . 3.300 2.986 2.830 3.217 . 0 0 "[ . 1]" 3
20 1 30 SER O 1 34 SER H 0.000 . 2.300 2.087 1.891 2.298 . 0 0 "[ . 1]" 3
21 1 31 TRP O 1 35 PHE N 0.000 . 3.300 2.683 2.527 2.836 . 0 0 "[ . 1]" 3
22 1 31 TRP O 1 35 PHE H 0.000 . 2.300 1.744 1.550 1.905 . 0 0 "[ . 1]" 3
23 1 32 TYR O 1 36 LEU N 0.000 . 3.300 2.986 2.480 3.231 . 0 0 "[ . 1]" 3
24 1 32 TYR O 1 36 LEU H 0.000 . 2.300 2.156 1.571 2.352 0.052 2 0 "[ . 1]" 3
25 1 33 GLN O 1 37 LYS N 0.000 . 3.300 3.264 2.980 3.318 0.018 2 0 "[ . 1]" 3
26 1 33 GLN O 1 37 LYS H 0.000 . 2.300 2.323 2.009 2.380 0.080 2 0 "[ . 1]" 3
27 1 46 ARG O 1 50 GLN N 0.000 . 3.300 2.892 2.542 3.177 . 0 0 "[ . 1]" 3
28 1 46 ARG O 1 50 GLN H 0.000 . 2.300 1.932 1.553 2.244 . 0 0 "[ . 1]" 3
29 1 47 GLN O 1 51 THR N 0.000 . 3.300 3.055 2.904 3.227 . 0 0 "[ . 1]" 3
30 1 47 GLN O 1 51 THR H 0.000 . 2.300 2.386 2.305 2.458 0.158 10 0 "[ . 1]" 3
31 1 48 GLU O 1 52 ILE N 0.000 . 3.300 3.176 3.113 3.248 . 0 0 "[ . 1]" 3
32 1 48 GLU O 1 52 ILE H 0.000 . 2.300 2.357 2.284 2.428 0.128 6 0 "[ . 1]" 3
33 1 49 PHE O 1 53 TYR N 0.000 . 3.300 3.306 3.215 3.365 0.065 6 0 "[ . 1]" 3
34 1 49 PHE O 1 53 TYR H 0.000 . 2.300 2.368 2.271 2.426 0.126 3 0 "[ . 1]" 3
35 1 50 GLN O 1 54 SER N 0.000 . 3.300 2.884 2.765 3.009 . 0 0 "[ . 1]" 3
36 1 50 GLN O 1 54 SER H 0.000 . 2.300 2.230 1.939 2.386 0.086 4 0 "[ . 1]" 3
37 1 51 THR O 1 55 LYS N 0.000 . 3.300 2.850 2.748 3.004 . 0 0 "[ . 1]" 3
38 1 51 THR O 1 55 LYS H 0.000 . 2.300 2.268 2.016 2.364 0.064 8 0 "[ . 1]" 3
39 1 52 ILE O 1 56 PHE N 0.000 . 3.300 3.209 3.105 3.306 0.006 10 0 "[ . 1]" 3
40 1 52 ILE O 1 56 PHE H 0.000 . 2.300 2.330 2.292 2.362 0.062 9 0 "[ . 1]" 3
41 1 63 LYS O 1 67 GLN N 0.000 . 3.300 3.032 2.799 3.230 . 0 0 "[ . 1]" 3
42 1 63 LYS O 1 67 GLN H 0.000 . 2.300 2.103 1.846 2.311 0.011 8 0 "[ . 1]" 3
43 1 64 ALA O 1 68 HIS N 0.000 . 3.300 2.870 2.634 3.177 . 0 0 "[ . 1]" 3
44 1 64 ALA O 1 68 HIS H 0.000 . 2.300 2.111 1.850 2.363 0.063 4 0 "[ . 1]" 3
45 1 65 TYR O 1 69 VAL N 0.000 . 3.300 2.968 2.769 3.156 . 0 0 "[ . 1]" 3
46 1 65 TYR O 1 69 VAL H 0.000 . 2.300 2.026 1.861 2.214 . 0 0 "[ . 1]" 3
47 1 66 ALA O 1 70 PHE N 0.000 . 3.300 3.322 3.236 3.380 0.080 7 0 "[ . 1]" 3
48 1 66 ALA O 1 70 PHE H 0.000 . 2.300 2.415 2.347 2.529 0.229 2 0 "[ . 1]" 3
49 1 67 GLN O 1 71 ARG N 0.000 . 3.300 3.295 3.149 3.390 0.090 2 0 "[ . 1]" 3
50 1 67 GLN O 1 71 ARG H 0.000 . 2.300 2.345 2.179 2.446 0.146 2 0 "[ . 1]" 3
51 1 68 HIS O 1 72 SER N 0.000 . 3.300 2.944 2.755 3.069 . 0 0 "[ . 1]" 3
52 1 68 HIS O 1 72 SER H 0.000 . 2.300 2.216 1.891 2.415 0.115 9 0 "[ . 1]" 3
53 1 69 VAL O 1 73 PHE N 0.000 . 3.300 3.167 3.056 3.310 0.010 1 0 "[ . 1]" 3
54 1 69 VAL O 1 73 PHE H 0.000 . 2.300 2.321 2.086 2.418 0.118 1 0 "[ . 1]" 3
55 1 83 PHE O 1 87 VAL N 0.000 . 3.300 3.048 2.757 3.188 . 0 0 "[ . 1]" 3
56 1 83 PHE O 1 87 VAL H 0.000 . 2.300 2.155 1.849 2.302 0.002 6 0 "[ . 1]" 3
57 1 84 LYS O 1 88 ILE N 0.000 . 3.300 3.264 3.135 3.383 0.083 6 0 "[ . 1]" 3
58 1 84 LYS O 1 88 ILE H 0.000 . 2.300 2.323 2.162 2.415 0.115 6 0 "[ . 1]" 3
59 1 85 GLU O 1 89 ALA N 0.000 . 3.300 3.152 3.052 3.254 . 0 0 "[ . 1]" 3
60 1 85 GLU O 1 89 ALA H 0.000 . 2.300 2.266 2.116 2.359 0.059 6 0 "[ . 1]" 3
61 1 86 TYR O 1 90 LEU N 0.000 . 3.300 3.141 2.972 3.362 0.062 9 0 "[ . 1]" 3
62 1 86 TYR O 1 90 LEU H 0.000 . 2.300 2.190 2.004 2.394 0.094 9 0 "[ . 1]" 3
63 1 87 VAL O 1 91 HIS N 0.000 . 3.300 2.728 2.477 3.066 . 0 0 "[ . 1]" 3
64 1 87 VAL O 1 91 HIS H 0.000 . 2.300 1.923 1.587 2.273 . 0 0 "[ . 1]" 3
65 1 88 ILE O 1 92 MET N 0.000 . 3.300 3.066 2.853 3.323 0.023 2 0 "[ . 1]" 3
66 1 88 ILE O 1 92 MET H 0.000 . 2.300 2.229 1.956 2.358 0.058 2 0 "[ . 1]" 3
67 1 89 ALA O 1 93 THR N 0.000 . 3.300 3.187 2.907 3.316 0.016 7 0 "[ . 1]" 3
68 1 89 ALA O 1 93 THR H 0.000 . 2.300 2.250 1.957 2.362 0.062 6 0 "[ . 1]" 3
69 1 101 LYS O 1 105 ALA N 0.000 . 3.300 3.207 2.882 3.334 0.034 4 0 "[ . 1]" 3
70 1 101 LYS O 1 105 ALA H 0.000 . 2.300 2.319 1.967 2.422 0.122 4 0 "[ . 1]" 3
71 1 102 LEU O 1 106 PHE N 0.000 . 3.300 3.041 2.807 3.288 . 0 0 "[ . 1]" 3
72 1 102 LEU O 1 106 PHE H 0.000 . 2.300 2.148 1.883 2.385 0.085 9 0 "[ . 1]" 3
73 1 104 TRP O 1 108 LEU N 0.000 . 3.300 3.319 3.293 3.355 0.055 3 0 "[ . 1]" 3
74 1 104 TRP O 1 108 LEU H 0.000 . 2.300 2.361 2.316 2.411 0.111 7 0 "[ . 1]" 3
75 1 105 ALA O 1 109 TYR N 0.000 . 3.300 3.000 2.662 3.264 . 0 0 "[ . 1]" 3
76 1 105 ALA O 1 109 TYR H 0.000 . 2.300 2.057 1.735 2.292 . 0 0 "[ . 1]" 3
77 1 44 ILE O 1 81 LEU N 0.000 . 3.300 3.219 3.054 3.351 0.051 9 0 "[ . 1]" 3
78 1 44 ILE O 1 81 LEU H 0.000 . 2.300 2.341 2.237 2.436 0.136 9 0 "[ . 1]" 3
79 1 117 ILE O 1 167 LEU N 0.000 . 3.300 3.262 3.150 3.346 0.046 7 0 "[ . 1]" 3
80 1 117 ILE O 1 167 LEU H 0.000 . 2.300 2.361 2.227 2.452 0.152 1 0 "[ . 1]" 3
81 1 118 SER O 1 122 VAL N 0.000 . 3.300 3.193 3.011 3.269 . 0 0 "[ . 1]" 3
82 1 118 SER O 1 122 VAL H 0.000 . 2.300 2.254 2.045 2.333 0.033 3 0 "[ . 1]" 3
83 1 119 LYS O 1 123 LEU N 0.000 . 3.300 3.196 2.950 3.323 0.023 7 0 "[ . 1]" 3
84 1 119 LYS O 1 123 LEU H 0.000 . 2.300 2.307 2.062 2.428 0.128 7 0 "[ . 1]" 3
85 1 121 GLU O 1 125 ILE N 0.000 . 3.300 3.334 3.260 3.430 0.130 1 0 "[ . 1]" 3
86 1 121 GLU O 1 125 ILE H 0.000 . 2.300 2.367 2.280 2.462 0.162 1 0 "[ . 1]" 3
87 1 122 VAL O 1 126 VAL N 0.000 . 3.300 2.653 2.436 2.878 . 0 0 "[ . 1]" 3
88 1 122 VAL O 1 126 VAL H 0.000 . 2.300 1.703 1.481 1.916 . 0 0 "[ . 1]" 3
89 1 123 LEU O 1 127 THR N 0.000 . 3.300 2.634 2.406 2.781 . 0 0 "[ . 1]" 3
90 1 123 LEU O 1 127 THR H 0.000 . 2.300 1.674 1.431 1.830 . 0 0 "[ . 1]" 3
91 1 124 GLU O 1 128 ALA N 0.000 . 3.300 2.607 2.424 2.903 . 0 0 "[ . 1]" 3
92 1 124 GLU O 1 128 ALA H 0.000 . 2.300 1.645 1.461 1.924 . 0 0 "[ . 1]" 3
93 1 125 ILE O 1 129 ILE N 0.000 . 3.300 2.830 2.546 3.195 . 0 0 "[ . 1]" 3
94 1 125 ILE O 1 129 ILE H 0.000 . 2.300 1.876 1.571 2.231 . 0 0 "[ . 1]" 3
95 1 126 VAL O 1 130 PHE N 0.000 . 3.300 2.928 2.756 3.250 . 0 0 "[ . 1]" 3
96 1 126 VAL O 1 130 PHE H 0.000 . 2.300 1.972 1.786 2.268 . 0 0 "[ . 1]" 3
97 1 127 THR O 1 131 LYS N 0.000 . 3.300 3.132 2.817 3.308 0.008 1 0 "[ . 1]" 3
98 1 127 THR O 1 131 LYS H 0.000 . 2.300 2.266 1.936 2.379 0.079 1 0 "[ . 1]" 3
99 1 128 ALA O 1 132 MET N 0.000 . 3.300 3.252 3.066 3.370 0.070 8 0 "[ . 1]" 3
100 1 128 ALA O 1 132 MET H 0.000 . 2.300 2.346 2.187 2.427 0.127 8 0 "[ . 1]" 3
101 1 129 ILE O 1 133 ILE N 0.000 . 3.300 3.160 2.851 3.318 0.018 5 0 "[ . 1]" 3
102 1 129 ILE O 1 133 ILE H 0.000 . 2.300 2.376 2.328 2.415 0.115 3 0 "[ . 1]" 3
103 1 147 THR O 1 151 ARG N 0.000 . 3.300 2.737 2.433 2.993 . 0 0 "[ . 1]" 3
104 1 147 THR O 1 151 ARG H 0.000 . 2.300 1.790 1.467 2.036 . 0 0 "[ . 1]" 3
105 1 151 ARG O 1 155 ILE N 0.000 . 3.300 3.106 2.879 3.249 . 0 0 "[ . 1]" 3
106 1 151 ARG O 1 155 ILE H 0.000 . 2.300 2.197 1.941 2.327 0.027 3 0 "[ . 1]" 3
107 1 152 ALA O 1 156 TRP N 0.000 . 3.300 3.075 2.871 3.299 . 0 0 "[ . 1]" 3
108 1 152 ALA O 1 156 TRP H 0.000 . 2.300 2.133 1.952 2.368 0.068 10 0 "[ . 1]" 3
109 1 153 GLU O 1 157 GLY N 0.000 . 3.300 2.951 2.785 3.159 . 0 0 "[ . 1]" 3
110 1 153 GLU O 1 157 GLY H 0.000 . 2.300 2.217 2.084 2.321 0.021 10 0 "[ . 1]" 3
111 1 154 LYS O 1 158 PHE N 0.000 . 3.300 3.044 2.965 3.168 . 0 0 "[ . 1]" 3
112 1 154 LYS O 1 158 PHE H 0.000 . 2.300 2.357 2.325 2.466 0.166 10 0 "[ . 1]" 3
113 1 156 TRP O 1 160 GLY N 0.000 . 3.300 3.255 3.061 3.400 0.100 10 0 "[ . 1]" 3
114 1 156 TRP O 1 160 GLY H 0.000 . 2.300 2.369 2.314 2.468 0.168 10 0 "[ . 1]" 3
115 1 117 ILE N 1 167 LEU O 0.000 . 3.300 2.899 2.525 3.228 . 0 0 "[ . 1]" 3
116 1 117 ILE H 1 167 LEU O 0.000 . 2.300 1.964 1.567 2.336 0.036 3 0 "[ . 1]" 3
117 1 173 ILE O 1 177 LEU N 0.000 . 3.300 2.989 2.853 3.050 . 0 0 "[ . 1]" 3
118 1 173 ILE O 1 177 LEU H 0.000 . 2.300 2.353 2.318 2.375 0.075 10 0 "[ . 1]" 3
119 1 174 GLU O 1 178 ALA N 0.000 . 3.300 3.080 2.884 3.232 . 0 0 "[ . 1]" 3
120 1 174 GLU O 1 178 ALA H 0.000 . 2.300 2.177 1.928 2.298 . 0 0 "[ . 1]" 3
121 1 182 ILE O 1 186 ILE N 0.000 . 3.300 2.873 2.423 3.289 . 0 0 "[ . 1]" 3
122 1 182 ILE O 1 186 ILE H 0.000 . 2.300 1.974 1.491 2.345 0.045 10 0 "[ . 1]" 3
123 1 183 LEU O 1 187 GLN N 0.000 . 3.300 2.940 2.572 3.193 . 0 0 "[ . 1]" 3
124 1 183 LEU O 1 187 GLN H 0.000 . 2.300 2.196 1.678 2.360 0.060 1 0 "[ . 1]" 3
125 2 4 GLY O 2 8 THR N 0.000 . 3.300 3.010 2.688 3.308 0.008 10 0 "[ . 1]" 3
126 2 4 GLY O 2 8 THR H 0.000 . 2.300 2.163 1.911 2.349 0.049 1 0 "[ . 1]" 3
127 2 5 SER O 2 9 VAL N 0.000 . 3.300 3.074 2.943 3.351 0.051 7 0 "[ . 1]" 3
128 2 5 SER O 2 9 VAL H 0.000 . 2.300 2.394 2.316 2.561 0.261 7 0 "[ . 1]" 3
129 2 6 LEU O 2 10 VAL N 0.000 . 3.300 3.366 3.321 3.437 0.137 9 0 "[ . 1]" 3
130 2 6 LEU O 2 10 VAL H 0.000 . 2.300 2.407 2.356 2.511 0.211 9 0 "[ . 1]" 3
131 2 7 GLU O 2 11 ALA N 0.000 . 3.300 3.131 2.838 3.399 0.099 7 0 "[ . 1]" 3
132 2 7 GLU O 2 11 ALA H 0.000 . 2.300 2.242 1.920 2.508 0.208 7 0 "[ . 1]" 3
133 2 8 THR O 2 12 ASN N 0.000 . 3.300 3.056 2.823 3.292 . 0 0 "[ . 1]" 3
134 2 8 THR O 2 12 ASN H 0.000 . 2.300 2.230 1.952 2.508 0.208 10 0 "[ . 1]" 3
135 2 9 VAL O 2 13 SER N 0.000 . 3.300 2.925 2.517 3.260 . 0 0 "[ . 1]" 3
136 2 9 VAL O 2 13 SER H 0.000 . 2.300 2.113 1.683 2.383 0.083 1 0 "[ . 1]" 3
137 2 10 VAL O 2 14 ALA N 0.000 . 3.300 3.288 2.978 3.428 0.128 2 0 "[ . 1]" 3
138 2 10 VAL O 2 14 ALA H 0.000 . 2.300 2.333 2.000 2.463 0.163 7 0 "[ . 1]" 3
139 2 11 ALA O 2 15 PHE N 0.000 . 3.300 2.957 2.334 3.280 . 0 0 "[ . 1]" 3
140 2 11 ALA O 2 15 PHE H 0.000 . 2.300 2.247 1.460 2.482 0.182 10 0 "[ . 1]" 3
141 2 12 ASN O 2 16 ILE N 0.000 . 3.300 3.324 3.099 3.469 0.169 8 0 "[ . 1]" 3
142 2 12 ASN O 2 16 ILE H 0.000 . 2.300 2.389 2.273 2.484 0.184 8 0 "[ . 1]" 3
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