NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
380569 |
1iez   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1iez
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 655
_Distance_constraint_stats_list.Viol_count 1575
_Distance_constraint_stats_list.Viol_total 2763.603
_Distance_constraint_stats_list.Viol_max 2.277
_Distance_constraint_stats_list.Viol_rms 0.1274
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0422
_Distance_constraint_stats_list.Viol_average_violations_only 0.1755
_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 2 ASN 0.031 0.016 9 0 "[ . 1]"
1 3 GLN 0.068 0.037 2 0 "[ . 1]"
1 4 THR 0.054 0.037 2 0 "[ . 1]"
1 5 LEU 0.665 0.139 5 0 "[ . 1]"
1 6 LEU 1.648 0.744 7 1 "[ . + 1]"
1 7 SER 1.184 0.298 5 0 "[ . 1]"
1 8 SER 1.142 0.414 5 0 "[ . 1]"
1 9 PHE 3.771 0.840 9 3 "[ * . -+1]"
1 10 GLY 13.652 1.319 3 9 "[**+** *-**]"
1 11 THR 10.743 1.319 3 8 "[**+-* ** *]"
1 13 PHE 4.260 0.881 7 3 "[ * -. + 1]"
1 14 GLU 4.841 0.610 9 1 "[ . +1]"
1 15 ARG 1.479 0.123 9 0 "[ . 1]"
1 16 VAL 2.248 0.826 10 1 "[ . +]"
1 17 GLU 1.309 0.251 2 0 "[ . 1]"
1 18 ASN 0.407 0.060 10 0 "[ . 1]"
1 19 ALA 0.981 0.121 6 0 "[ . 1]"
1 20 LEU 0.780 0.138 10 0 "[ . 1]"
1 21 ALA 1.068 0.142 9 0 "[ . 1]"
1 22 ALA 1.330 0.301 9 0 "[ . 1]"
1 23 LEU 0.740 0.188 1 0 "[ . 1]"
1 24 ARG 2.933 0.526 6 1 "[ .+ 1]"
1 25 GLU 9.613 0.828 5 8 "[*** +***-1]"
1 26 GLY 5.594 0.623 6 1 "[ .+ 1]"
1 27 ARG 2.352 0.395 10 0 "[ . 1]"
1 28 GLY 12.773 0.828 5 9 "[*** +****-]"
1 29 VAL 3.671 0.744 7 1 "[ . + 1]"
1 30 MET 2.206 0.471 8 0 "[ . 1]"
1 31 VAL 0.000 0.000 . 0 "[ . 1]"
1 43 MET 5.002 0.869 9 2 "[ . +-]"
1 44 ILE 11.276 0.869 9 5 "[ * . -*+*]"
1 45 PHE 14.815 0.781 2 8 "[ +*** ****]"
1 46 PRO 1.921 0.390 2 0 "[ . 1]"
1 47 ALA 7.394 0.806 3 9 [**+*****-1]
1 48 GLU 4.604 0.417 3 0 "[ . 1]"
1 49 THR 7.573 0.829 5 7 "[* * +*** -]"
1 50 MET 2.157 0.239 2 0 "[ . 1]"
1 51 THR 9.137 0.620 6 6 "[* * .+** -]"
1 52 VAL 2.479 0.195 7 0 "[ . 1]"
1 53 GLU 3.096 0.513 3 1 "[ + . 1]"
1 54 GLN 1.897 0.195 7 0 "[ . 1]"
1 55 MET 0.621 0.070 3 0 "[ . 1]"
1 56 ALA 1.250 0.111 4 0 "[ . 1]"
1 57 LEU 1.261 0.087 2 0 "[ . 1]"
1 58 THR 0.980 0.090 10 0 "[ . 1]"
1 59 ILE 2.499 0.331 4 0 "[ . 1]"
1 60 ARG 0.134 0.076 4 0 "[ . 1]"
1 61 HIS 1.845 0.331 4 0 "[ . 1]"
1 62 GLY 0.868 0.177 1 0 "[ . 1]"
1 63 SER 13.868 1.349 1 10 [+*****-***]
1 64 GLY 13.448 1.349 1 10 [+-********]
1 65 ILE 10.771 0.918 2 9 "[ +****-***]"
1 66 VAL 1.647 0.211 3 0 "[ . 1]"
1 67 CYS 5.624 0.584 6 2 "[ .+ -1]"
1 68 LEU 3.815 0.909 4 3 "[ +-* 1]"
1 69 CYS 2.992 0.439 10 0 "[ . 1]"
1 70 ILE 3.147 0.342 6 0 "[ . 1]"
1 71 THR 3.198 0.474 9 0 "[ . 1]"
1 72 GLU 3.424 0.498 10 0 "[ . 1]"
1 73 ASP 3.051 0.474 9 0 "[ . 1]"
1 74 ARG 3.311 0.498 10 0 "[ . 1]"
1 75 ARG 1.198 0.135 5 0 "[ . 1]"
1 76 LYS 3.475 0.254 5 0 "[ . 1]"
1 77 GLN 3.540 0.362 7 0 "[ . 1]"
1 78 LEU 3.416 0.362 7 0 "[ . 1]"
1 79 ASP 2.020 0.254 5 0 "[ . 1]"
1 80 LEU 0.844 0.342 6 0 "[ . 1]"
1 81 PRO 0.000 0.000 . 0 "[ . 1]"
1 82 MET 1.898 0.424 7 0 "[ . 1]"
1 84 VAL 3.407 0.687 1 2 "[+ . - 1]"
1 85 GLU 0.364 0.228 1 0 "[ . 1]"
1 86 ASN 0.364 0.228 1 0 "[ . 1]"
1 87 ASN 0.000 0.000 . 0 "[ . 1]"
1 92 GLY 0.029 0.016 1 0 "[ . 1]"
1 93 THR 0.029 0.016 1 0 "[ . 1]"
1 94 GLY 0.000 0.000 . 0 "[ . 1]"
1 95 PHE 2.063 0.333 6 0 "[ . 1]"
1 96 THR 8.706 0.711 5 4 "[ + * -*]"
1 97 VAL 6.145 0.711 5 3 "[ + -*]"
1 98 THR 5.753 0.687 1 2 "[+ - 1]"
1 99 ILE 3.418 0.559 6 1 "[ .+ 1]"
1 100 GLU 9.245 1.241 6 9 "[***-*+ ***]"
1 101 ALA 0.180 0.081 9 0 "[ . 1]"
1 102 ALA 1.329 0.652 7 1 "[ . + 1]"
1 103 GLU 1.258 0.678 10 1 "[ . +]"
1 104 GLY 4.525 0.863 8 3 "[ - *. + 1]"
1 105 VAL 4.595 0.863 8 3 "[ - *. + 1]"
1 106 THR 4.271 0.864 10 2 "[ . - +]"
1 107 THR 2.424 0.864 10 1 "[ . +]"
1 108 GLY 5.471 0.525 9 2 "[ . - +1]"
1 109 VAL 6.842 0.843 7 3 "[ . + -*]"
1 110 SER 5.773 0.843 7 2 "[ . + -]"
1 111 ALA 6.510 0.424 9 0 "[ . 1]"
1 112 ALA 4.536 0.403 10 0 "[ . 1]"
1 113 ASP 1.990 0.316 10 0 "[ . 1]"
1 114 ARG 1.127 0.273 7 0 "[ . 1]"
1 115 ILE 0.790 0.128 8 0 "[ . 1]"
1 116 THR 0.000 0.000 . 0 "[ . 1]"
1 117 THR 0.418 0.128 8 0 "[ . 1]"
1 118 VAL 1.677 0.829 5 1 "[ + 1]"
1 119 ARG 1.164 0.121 4 0 "[ . 1]"
1 120 ALA 1.289 0.202 2 0 "[ . 1]"
1 121 ALA 0.476 0.127 2 0 "[ . 1]"
1 122 ILE 8.564 0.676 4 3 "[* -+. 1]"
1 123 ALA 4.471 0.676 4 3 "[* -+. 1]"
1 124 ASP 0.332 0.084 5 0 "[ . 1]"
1 125 GLY 1.147 0.385 9 0 "[ . 1]"
1 126 ALA 0.932 0.385 9 0 "[ . 1]"
1 127 LYS 3.106 0.443 2 0 "[ . 1]"
1 128 PRO 0.000 0.000 . 0 "[ . 1]"
1 129 SER 4.089 0.443 2 0 "[ . 1]"
1 130 ASP 2.390 0.906 4 2 "[ +. - 1]"
1 131 LEU 4.473 0.906 4 3 "[ +. * -]"
1 132 ASN 3.136 0.757 10 2 "[ . - +]"
1 133 ARG 5.780 1.241 6 7 "[***-*+ * 1]"
1 135 GLY 5.178 0.632 9 2 "[ - +1]"
1 136 HIS 2.799 0.633 6 1 "[ .+ 1]"
1 137 VAL 6.095 0.633 6 1 "[ .+ 1]"
1 138 PHE 5.890 0.909 4 4 "[ +** -1]"
1 139 PRO 0.491 0.250 10 0 "[ . 1]"
1 140 LEU 2.679 0.554 9 1 "[ . +1]"
1 141 ARG 2.607 0.217 4 0 "[ . 1]"
1 142 ALA 1.899 0.238 4 0 "[ . 1]"
1 143 GLN 0.923 0.143 3 0 "[ . 1]"
1 144 ALA 1.326 0.143 3 0 "[ . 1]"
1 145 GLY 0.114 0.050 6 0 "[ . 1]"
1 146 GLY 2.035 0.337 5 0 "[ . 1]"
1 147 VAL 0.298 0.154 3 0 "[ . 1]"
1 148 LEU 8.761 1.028 3 4 "[ +*. *-1]"
1 149 THR 4.302 0.806 8 3 "[ * . +*1]"
1 150 ARG 5.847 1.028 3 3 "[ +*. - 1]"
1 151 GLY 0.977 0.444 8 0 "[ . 1]"
1 152 GLY 2.745 0.450 4 0 "[ . 1]"
1 153 HIS 0.183 0.183 9 0 "[ . 1]"
1 154 THR 4.801 0.539 9 1 "[ . +1]"
1 155 GLU 1.973 0.539 9 1 "[ . +1]"
1 157 THR 0.000 0.000 . 0 "[ . 1]"
1 158 ILE 0.214 0.088 9 0 "[ . 1]"
1 159 ASP 0.214 0.088 9 0 "[ . 1]"
1 160 LEU 0.007 0.007 8 0 "[ . 1]"
1 161 MET 0.026 0.015 10 0 "[ . 1]"
1 162 THR 0.950 0.132 4 0 "[ . 1]"
1 163 LEU 1.875 0.373 10 0 "[ . 1]"
1 164 ALA 3.169 0.567 8 1 "[ . + 1]"
1 165 GLY 1.523 0.243 7 0 "[ . 1]"
1 166 PHE 1.435 0.163 10 0 "[ . 1]"
1 167 LYS 7.308 2.277 10 4 "[*- . * +]"
1 168 PRO 0.000 0.000 . 0 "[ . 1]"
1 169 ALA 12.899 2.277 10 10 [*-*******+]
1 170 GLY 0.699 0.180 10 0 "[ . 1]"
1 171 VAL 9.846 0.738 7 6 "[ **** + -1]"
1 172 LEU 5.222 0.575 7 1 "[ . + 1]"
1 173 CYS 1.050 0.607 10 1 "[ . +]"
1 175 LEU 0.000 0.000 . 0 "[ . 1]"
1 176 THR 0.065 0.048 5 0 "[ . 1]"
1 177 ASN 1.272 0.164 4 0 "[ . 1]"
1 178 ASP 5.548 0.480 2 0 "[ . 1]"
1 179 ASP 5.289 0.480 2 0 "[ . 1]"
1 180 GLY 0.490 0.085 10 0 "[ . 1]"
1 181 THR 0.234 0.097 7 0 "[ . 1]"
1 182 MET 0.281 0.129 2 0 "[ . 1]"
1 183 ALA 0.250 0.095 4 0 "[ . 1]"
1 184 ARG 0.664 0.162 2 0 "[ . 1]"
1 187 GLU 0.966 0.162 2 0 "[ . 1]"
1 188 CYS 0.639 0.080 7 0 "[ . 1]"
1 189 ILE 0.229 0.061 3 0 "[ . 1]"
1 190 GLU 0.361 0.128 9 0 "[ . 1]"
1 191 PHE 0.751 0.155 9 0 "[ . 1]"
1 192 ALA 1.004 0.128 9 0 "[ . 1]"
1 193 ASN 1.246 0.146 2 0 "[ . 1]"
1 194 LYS 6.703 0.756 7 7 "[ **** +* -]"
1 195 HIS 2.644 0.162 1 0 "[ . 1]"
1 196 ASN 3.328 0.442 3 0 "[ . 1]"
1 197 MET 7.171 0.756 7 7 "[ **** +* -]"
1 198 ALA 3.766 0.566 3 2 "[ + . -]"
1 199 LEU 0.000 0.000 . 0 "[ . 1]"
1 200 VAL 0.826 0.826 10 1 "[ . +]"
1 201 THR 0.455 0.127 8 0 "[ . 1]"
1 202 ILE 0.455 0.127 8 0 "[ . 1]"
1 204 ASP 0.082 0.082 4 0 "[ . 1]"
1 205 LEU 1.439 0.438 10 0 "[ . 1]"
1 206 VAL 1.357 0.438 10 0 "[ . 1]"
1 207 ALA 0.139 0.050 2 0 "[ . 1]"
1 208 TYR 0.550 0.068 8 0 "[ . 1]"
1 209 ARG 1.276 0.407 7 0 "[ . 1]"
1 210 GLN 0.725 0.075 2 0 "[ . 1]"
1 211 ALA 1.923 0.746 9 1 "[ . +1]"
1 212 HIS 0.396 0.062 4 0 "[ . 1]"
1 213 GLU 0.207 0.062 4 0 "[ . 1]"
1 214 ARG 0.000 0.000 . 0 "[ . 1]"
1 215 LYS 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 2 ASN HA 1 3 GLN H 2.700 . 2.700 2.696 2.668 2.716 0.016 9 0 "[ . 1]" 1
2 1 3 GLN H 1 4 THR H 4.500 . 4.500 2.435 2.233 2.666 . 0 0 "[ . 1]" 1
3 1 3 GLN HA 1 4 THR H 3.500 . 3.500 3.424 3.287 3.537 0.037 2 0 "[ . 1]" 1
4 1 4 THR H 1 5 LEU H 4.500 . 4.500 2.659 2.285 2.900 . 0 0 "[ . 1]" 1
5 1 4 THR HA 1 5 LEU H 3.500 . 3.500 3.427 3.372 3.517 0.017 6 0 "[ . 1]" 1
6 1 5 LEU H 1 6 LEU H 4.500 . 4.500 3.030 2.615 3.667 . 0 0 "[ . 1]" 1
7 1 5 LEU HA 1 6 LEU H 3.500 . 3.500 3.561 3.466 3.639 0.139 5 0 "[ . 1]" 1
8 1 6 LEU HA 1 7 SER H 3.500 . 3.500 3.331 3.124 3.721 0.221 5 0 "[ . 1]" 1
9 1 6 LEU MD1 1 16 VAL QG 6.000 . 6.000 3.482 2.413 4.142 . 0 0 "[ . 1]" 1
10 1 6 LEU MD1 1 44 ILE MD 6.000 . 6.000 4.134 3.277 4.361 . 0 0 "[ . 1]" 1
11 1 6 LEU MD1 1 200 VAL MG2 6.000 . 6.000 3.908 2.054 5.634 . 0 0 "[ . 1]" 1
12 1 6 LEU MD2 1 16 VAL QG 6.000 . 6.000 3.340 1.568 4.376 . 0 0 "[ . 1]" 1
13 1 6 LEU MD2 1 29 VAL MG2 6.000 . 6.000 4.442 2.206 6.744 0.744 7 1 "[ . + 1]" 1
14 1 6 LEU MD2 1 44 ILE MD 6.000 . 6.000 4.313 4.215 4.484 . 0 0 "[ . 1]" 1
15 1 6 LEU MD2 1 200 VAL MG2 6.000 . 6.000 3.254 1.697 5.912 . 0 0 "[ . 1]" 1
16 1 7 SER H 1 8 SER H 4.500 . 4.500 2.649 2.264 3.184 . 0 0 "[ . 1]" 1
17 1 7 SER H 1 9 PHE H 4.500 . 4.500 3.732 3.010 4.798 0.298 5 0 "[ . 1]" 1
18 1 7 SER HA 1 8 SER H 3.500 . 3.500 3.550 3.457 3.584 0.084 7 0 "[ . 1]" 1
19 1 8 SER H 1 9 PHE H 6.800 . 6.800 2.591 2.264 3.033 . 0 0 "[ . 1]" 1
20 1 8 SER H 1 10 GLY H 6.800 . 6.800 5.039 2.675 5.962 . 0 0 "[ . 1]" 1
21 1 8 SER HA 1 9 PHE H 3.500 . 3.500 3.217 2.861 3.472 . 0 0 "[ . 1]" 1
22 1 8 SER HA 1 10 GLY H 4.500 . 4.500 4.441 3.838 4.914 0.414 5 0 "[ . 1]" 1
23 1 9 PHE H 1 10 GLY H 2.800 . 2.800 3.050 1.930 3.640 0.840 9 3 "[ * . -+1]" 1
24 1 9 PHE HA 1 10 GLY H 3.500 . 3.500 2.606 2.363 3.048 . 0 0 "[ . 1]" 1
25 1 10 GLY H 1 11 THR H 2.800 . 2.800 3.522 2.864 4.119 1.319 3 7 "[* +*- ** *]" 1
26 1 10 GLY H 1 14 GLU H 6.800 . 6.800 7.006 6.596 7.410 0.610 9 1 "[ . +1]" 1
27 1 10 GLY HA2 1 11 THR H 2.700 . 2.700 2.202 2.013 2.570 . 0 0 "[ . 1]" 1
28 1 10 GLY HA3 1 11 THR H 3.500 . 3.500 3.198 2.388 3.479 . 0 0 "[ . 1]" 1
29 1 11 THR H 1 13 PHE H 4.500 . 4.500 4.551 3.600 5.381 0.881 7 3 "[ * -. + 1]" 1
30 1 11 THR H 1 16 VAL QG 5.000 . 5.000 4.307 2.084 5.335 0.335 5 0 "[ . 1]" 1
31 1 13 PHE H 1 14 GLU H 2.800 . 2.800 2.671 2.415 2.903 0.103 6 0 "[ . 1]" 1
32 1 13 PHE H 1 15 ARG H 4.500 . 4.500 4.256 3.645 4.579 0.079 8 0 "[ . 1]" 1
33 1 13 PHE HA 1 14 GLU H 3.500 . 3.500 3.575 3.519 3.630 0.130 9 0 "[ . 1]" 1
34 1 13 PHE QD 1 208 TYR QD 5.000 . 5.000 2.431 1.937 3.300 . 0 0 "[ . 1]" 1
35 1 13 PHE QD 1 208 TYR QE 5.000 . 5.000 3.448 2.320 3.990 . 0 0 "[ . 1]" 1
36 1 13 PHE QE 1 208 TYR QD 5.000 . 5.000 3.406 2.502 3.955 . 0 0 "[ . 1]" 1
37 1 13 PHE QE 1 208 TYR QE 5.000 . 5.000 3.979 3.286 4.339 . 0 0 "[ . 1]" 1
38 1 14 GLU H 1 15 ARG H 2.800 . 2.800 2.655 2.267 2.859 0.059 5 0 "[ . 1]" 1
39 1 14 GLU H 1 16 VAL H 6.800 . 6.800 3.939 3.608 4.613 . 0 0 "[ . 1]" 1
40 1 14 GLU HA 1 15 ARG H 3.500 . 3.500 3.526 3.429 3.560 0.060 4 0 "[ . 1]" 1
41 1 14 GLU HA 1 17 GLU H 4.000 . 4.000 3.651 2.632 4.251 0.251 2 0 "[ . 1]" 1
42 1 15 ARG H 1 16 VAL H 2.800 . 2.800 2.627 2.432 2.788 . 0 0 "[ . 1]" 1
43 1 15 ARG H 1 17 GLU H 4.500 . 4.500 3.946 3.211 4.330 . 0 0 "[ . 1]" 1
44 1 15 ARG HA 1 16 VAL H 3.500 . 3.500 3.568 3.517 3.623 0.123 9 0 "[ . 1]" 1
45 1 16 VAL H 1 17 GLU H 2.800 . 2.800 2.405 2.178 2.648 . 0 0 "[ . 1]" 1
46 1 16 VAL H 1 18 ASN H 4.500 . 4.500 4.172 3.719 4.517 0.017 8 0 "[ . 1]" 1
47 1 16 VAL HA 1 17 GLU H 3.500 . 3.500 3.519 3.439 3.561 0.061 9 0 "[ . 1]" 1
48 1 16 VAL HA 1 19 ALA H 4.000 . 4.000 2.905 2.288 3.101 . 0 0 "[ . 1]" 1
49 1 16 VAL HB 1 200 VAL MG2 5.000 . 5.000 3.688 2.061 5.826 0.826 10 1 "[ . +]" 1
50 1 16 VAL HB 1 208 TYR QD 5.000 . 5.000 4.209 3.149 4.830 . 0 0 "[ . 1]" 1
51 1 16 VAL HB 1 208 TYR QE 5.000 . 5.000 4.424 3.138 4.980 . 0 0 "[ . 1]" 1
52 1 16 VAL QG 1 17 GLU HA 5.000 . 5.000 3.136 2.887 4.112 . 0 0 "[ . 1]" 1
53 1 16 VAL QG 1 19 ALA H 5.000 . 5.000 3.896 3.477 4.112 . 0 0 "[ . 1]" 1
54 1 16 VAL QG 1 19 ALA MB 5.000 . 5.000 2.726 2.002 3.301 . 0 0 "[ . 1]" 1
55 1 16 VAL QG 1 20 LEU H 5.000 . 5.000 3.500 2.808 3.995 . 0 0 "[ . 1]" 1
56 1 16 VAL QG 1 20 LEU QB 5.000 . 5.000 3.177 1.950 3.790 . 0 0 "[ . 1]" 1
57 1 16 VAL QG 1 205 LEU MD1 6.000 . 6.000 2.981 1.856 3.830 . 0 0 "[ . 1]" 1
58 1 16 VAL QG 1 205 LEU MD2 6.000 . 6.000 3.520 2.329 3.866 . 0 0 "[ . 1]" 1
59 1 16 VAL QG 1 208 TYR QD 5.000 . 5.000 2.382 1.955 3.311 . 0 0 "[ . 1]" 1
60 1 16 VAL QG 1 208 TYR QE 5.000 . 5.000 2.280 1.661 3.145 . 0 0 "[ . 1]" 1
61 1 17 GLU H 1 18 ASN H 2.800 . 2.800 2.621 2.251 2.860 0.060 10 0 "[ . 1]" 1
62 1 17 GLU H 1 19 ALA H 6.800 . 6.800 3.696 3.431 3.910 . 0 0 "[ . 1]" 1
63 1 17 GLU HA 1 20 LEU H 4.000 . 4.000 3.540 3.216 4.008 0.008 9 0 "[ . 1]" 1
64 1 18 ASN H 1 19 ALA H 2.800 . 2.800 2.514 2.307 2.663 . 0 0 "[ . 1]" 1
65 1 18 ASN H 1 20 LEU H 6.800 . 6.800 4.214 3.737 4.925 . 0 0 "[ . 1]" 1
66 1 18 ASN HA 1 19 ALA H 3.500 . 3.500 3.527 3.510 3.546 0.046 1 0 "[ . 1]" 1
67 1 19 ALA H 1 20 LEU H 2.800 . 2.800 2.566 2.286 2.894 0.094 5 0 "[ . 1]" 1
68 1 19 ALA H 1 21 ALA H 4.500 . 4.500 4.190 3.784 4.621 0.121 6 0 "[ . 1]" 1
69 1 19 ALA HA 1 20 LEU H 3.500 . 3.500 3.509 3.377 3.574 0.074 5 0 "[ . 1]" 1
70 1 20 LEU H 1 21 ALA H 2.800 . 2.800 2.741 2.558 2.938 0.138 10 0 "[ . 1]" 1
71 1 20 LEU QD 1 166 PHE H 6.000 . 6.000 4.768 4.211 5.156 . 0 0 "[ . 1]" 1
72 1 20 LEU QD 1 208 TYR QD 5.000 . 5.000 3.718 3.333 3.850 . 0 0 "[ . 1]" 1
73 1 20 LEU QD 1 208 TYR QE 5.000 . 5.000 2.326 1.723 3.634 . 0 0 "[ . 1]" 1
74 1 21 ALA H 1 22 ALA H 2.800 . 2.800 2.675 2.450 2.890 0.090 9 0 "[ . 1]" 1
75 1 21 ALA HA 1 22 ALA H 3.500 . 3.500 3.539 3.476 3.579 0.079 7 0 "[ . 1]" 1
76 1 21 ALA HA 1 24 ARG H 4.000 . 4.000 3.585 3.040 4.142 0.142 9 0 "[ . 1]" 1
77 1 22 ALA H 1 23 LEU H 6.800 . 6.800 2.746 2.352 3.327 . 0 0 "[ . 1]" 1
78 1 22 ALA H 1 24 ARG H 4.500 . 4.500 4.051 3.842 4.801 0.301 9 0 "[ . 1]" 1
79 1 22 ALA HA 1 23 LEU H 3.500 . 3.500 3.551 3.511 3.590 0.090 9 0 "[ . 1]" 1
80 1 23 LEU H 1 24 ARG H 2.800 . 2.800 2.529 2.163 2.846 0.046 9 0 "[ . 1]" 1
81 1 23 LEU MD1 1 29 VAL MG1 6.000 . 6.000 3.134 1.810 4.362 . 0 0 "[ . 1]" 1
82 1 23 LEU MD2 1 28 GLY H 6.000 . 6.000 4.848 3.628 6.188 0.188 1 0 "[ . 1]" 1
83 1 23 LEU MD2 1 29 VAL MG1 6.000 . 6.000 4.114 1.854 5.561 . 0 0 "[ . 1]" 1
84 1 24 ARG H 1 25 GLU H 2.800 . 2.800 2.407 2.092 2.713 . 0 0 "[ . 1]" 1
85 1 24 ARG H 1 26 GLY H 4.500 . 4.500 4.577 3.025 5.026 0.526 6 1 "[ .+ 1]" 1
86 1 24 ARG H 1 28 GLY H 6.800 . 6.800 6.012 5.157 6.840 0.040 6 0 "[ . 1]" 1
87 1 24 ARG HA 1 25 GLU H 3.500 . 3.500 3.485 3.387 3.580 0.080 6 0 "[ . 1]" 1
88 1 25 GLU H 1 26 GLY H 2.800 . 2.800 3.041 2.181 3.423 0.623 6 1 "[ .+ 1]" 1
89 1 25 GLU H 1 27 ARG H 4.500 . 4.500 3.515 2.180 4.517 0.017 5 0 "[ . 1]" 1
90 1 25 GLU HA 1 26 GLY H 3.500 . 3.500 2.467 2.059 2.753 . 0 0 "[ . 1]" 1
91 1 25 GLU HA 1 28 GLY H 6.000 . 6.000 6.648 6.251 6.828 0.828 5 8 "[*** +***-1]" 1
92 1 26 GLY H 1 27 ARG H 2.800 . 2.800 2.347 1.768 2.857 0.057 1 0 "[ . 1]" 1
93 1 26 GLY H 1 28 GLY H 6.800 . 6.800 4.510 3.658 5.063 . 0 0 "[ . 1]" 1
94 1 26 GLY HA2 1 27 ARG H 3.500 . 3.500 3.010 2.605 3.400 . 0 0 "[ . 1]" 1
95 1 26 GLY HA3 1 27 ARG H 3.500 . 3.500 3.465 3.018 3.559 0.059 1 0 "[ . 1]" 1
96 1 27 ARG H 1 28 GLY H 4.500 . 4.500 3.175 2.524 4.059 . 0 0 "[ . 1]" 1
97 1 27 ARG HA 1 28 GLY H 2.700 . 2.700 2.732 2.098 3.095 0.395 10 0 "[ . 1]" 1
98 1 28 GLY H 1 29 VAL H 4.500 . 4.500 3.518 2.634 3.716 . 0 0 "[ . 1]" 1
99 1 28 GLY H 1 45 PHE HD1 6.800 . 6.800 5.682 4.341 7.581 0.781 2 1 "[ + . 1]" 1
100 1 28 GLY H 1 198 ALA H 4.500 . 4.500 4.817 4.573 5.066 0.566 3 2 "[ + . -]" 1
101 1 28 GLY HA2 1 29 VAL H 3.500 . 3.500 2.245 2.065 2.481 . 0 0 "[ . 1]" 1
102 1 28 GLY HA2 1 45 PHE QD 5.000 . 5.000 4.448 3.912 4.653 . 0 0 "[ . 1]" 1
103 1 28 GLY HA2 1 45 PHE QE 5.000 . 5.000 2.828 1.933 4.097 . 0 0 "[ . 1]" 1
104 1 28 GLY HA3 1 29 VAL H 3.500 . 3.500 3.430 3.322 3.544 0.044 9 0 "[ . 1]" 1
105 1 29 VAL H 1 44 ILE H 3.300 . 3.300 3.585 3.446 3.809 0.509 7 1 "[ . + 1]" 1
106 1 29 VAL HA 1 30 MET H 2.500 . 2.500 2.266 2.210 2.324 . 0 0 "[ . 1]" 1
107 1 29 VAL HA 1 198 ALA H 4.500 . 4.500 3.177 2.491 3.501 . 0 0 "[ . 1]" 1
108 1 29 VAL MG1 1 44 ILE H 6.000 . 6.000 4.294 2.529 5.891 . 0 0 "[ . 1]" 1
109 1 29 VAL MG1 1 44 ILE MD 6.000 . 6.000 2.141 1.726 3.270 . 0 0 "[ . 1]" 1
110 1 29 VAL MG1 1 198 ALA H 6.000 . 6.000 4.487 2.896 5.162 . 0 0 "[ . 1]" 1
111 1 29 VAL MG2 1 198 ALA H 6.000 . 6.000 4.449 3.570 5.046 . 0 0 "[ . 1]" 1
112 1 29 VAL MG2 1 200 VAL MG1 6.000 . 6.000 3.646 1.960 5.208 . 0 0 "[ . 1]" 1
113 1 30 MET H 1 198 ALA H 4.500 . 4.500 4.439 3.946 4.739 0.239 6 0 "[ . 1]" 1
114 1 30 MET H 1 199 LEU QD 6.000 . 6.000 2.827 1.920 3.564 . 0 0 "[ . 1]" 1
115 1 30 MET H 1 200 VAL H 6.800 . 6.800 3.339 2.569 5.172 . 0 0 "[ . 1]" 1
116 1 30 MET HA 1 31 VAL H 2.500 . 2.500 2.282 2.185 2.377 . 0 0 "[ . 1]" 1
117 1 30 MET HA 1 43 MET HA 5.000 . 5.000 4.832 3.861 5.471 0.471 8 0 "[ . 1]" 1
118 1 31 VAL H 1 44 ILE MD 6.000 . 6.000 3.809 2.541 5.073 . 0 0 "[ . 1]" 1
119 1 31 VAL H 1 199 LEU QD 6.000 . 6.000 4.873 4.563 5.100 . 0 0 "[ . 1]" 1
120 1 31 VAL MG1 1 44 ILE MD 6.000 . 6.000 3.266 1.840 4.209 . 0 0 "[ . 1]" 1
121 1 31 VAL MG1 1 202 ILE H 6.000 . 6.000 4.716 4.175 5.074 . 0 0 "[ . 1]" 1
122 1 31 VAL MG2 1 44 ILE MD 6.000 . 6.000 3.544 1.764 4.214 . 0 0 "[ . 1]" 1
123 1 31 VAL MG2 1 163 LEU MD1 6.000 . 6.000 4.199 2.108 5.709 . 0 0 "[ . 1]" 1
124 1 31 VAL MG2 1 163 LEU MD2 6.000 . 6.000 4.016 2.279 5.114 . 0 0 "[ . 1]" 1
125 1 31 VAL MG2 1 202 ILE H 6.000 . 6.000 3.651 1.910 5.118 . 0 0 "[ . 1]" 1
126 1 31 VAL MG2 1 202 ILE MD 6.000 . 6.000 3.495 2.041 5.100 . 0 0 "[ . 1]" 1
127 1 43 MET H 1 44 ILE H 6.800 . 6.800 3.387 2.856 3.601 . 0 0 "[ . 1]" 1
128 1 43 MET H 1 173 CYS H 3.300 . 3.300 2.339 1.713 3.907 0.607 10 1 "[ . +]" 1
129 1 43 MET HA 1 44 ILE H 2.500 . 2.500 2.755 2.559 3.369 0.869 9 2 "[ . +-]" 1
130 1 44 ILE H 1 45 PHE H 4.500 . 4.500 2.988 2.029 3.479 . 0 0 "[ . 1]" 1
131 1 44 ILE HA 1 45 PHE H 2.500 . 2.500 2.964 2.832 3.053 0.553 8 3 "[ - . + *]" 1
132 1 44 ILE HA 1 172 LEU HA 3.500 . 3.500 3.425 2.619 3.791 0.291 10 0 "[ . 1]" 1
133 1 45 PHE H 1 171 VAL H 3.300 . 3.300 3.876 3.628 4.038 0.738 7 6 "[ **** + -1]" 1
134 1 45 PHE H 1 171 VAL MG2 6.000 . 6.000 3.434 1.924 4.851 . 0 0 "[ . 1]" 1
135 1 45 PHE H 1 172 LEU HA 3.500 . 3.500 3.860 3.673 4.075 0.575 7 1 "[ . + 1]" 1
136 1 46 PRO HA 1 47 ALA H 2.500 . 2.500 2.203 2.096 2.260 . 0 0 "[ . 1]" 1
137 1 46 PRO HA 1 171 VAL H 3.500 . 3.500 3.692 3.574 3.890 0.390 2 0 "[ . 1]" 1
138 1 47 ALA H 1 48 GLU H 2.800 . 2.800 2.816 2.701 2.896 0.096 6 0 "[ . 1]" 1
139 1 47 ALA H 1 49 THR H 4.500 . 4.500 4.494 4.239 4.651 0.151 6 0 "[ . 1]" 1
140 1 47 ALA H 1 50 MET H 6.800 . 6.800 6.236 5.759 6.462 . 0 0 "[ . 1]" 1
141 1 47 ALA H 1 169 ALA H 3.300 . 3.300 3.968 3.789 4.106 0.806 3 9 [**+*****-1] 1
142 1 47 ALA H 1 170 GLY QA 3.500 . 3.500 2.562 1.822 3.123 . 0 0 "[ . 1]" 1
143 1 47 ALA H 1 171 VAL H 6.800 . 6.800 3.695 3.480 4.084 . 0 0 "[ . 1]" 1
144 1 47 ALA H 1 171 VAL MG2 6.000 . 6.000 4.089 2.617 5.574 . 0 0 "[ . 1]" 1
145 1 47 ALA HA 1 48 GLU H 3.500 . 3.500 3.396 3.347 3.482 . 0 0 "[ . 1]" 1
146 1 48 GLU H 1 49 THR H 2.800 . 2.800 2.384 2.178 2.602 . 0 0 "[ . 1]" 1
147 1 48 GLU H 1 50 MET H 4.500 . 4.500 4.617 4.521 4.739 0.239 2 0 "[ . 1]" 1
148 1 48 GLU H 1 122 ILE MD 6.000 . 6.000 4.353 3.429 5.037 . 0 0 "[ . 1]" 1
149 1 48 GLU HA 1 49 THR H 3.500 . 3.500 3.508 3.404 3.592 0.092 8 0 "[ . 1]" 1
150 1 48 GLU HA 1 122 ILE H 4.500 . 4.500 4.785 4.659 4.917 0.417 3 0 "[ . 1]" 1
151 1 49 THR H 1 50 MET H 2.800 . 2.800 2.898 2.794 2.948 0.148 1 0 "[ . 1]" 1
152 1 49 THR H 1 51 THR H 4.500 . 4.500 5.011 4.918 5.120 0.620 6 6 "[* * .+** -]" 1
153 1 49 THR H 1 118 VAL MG1 6.000 . 6.000 4.863 4.111 6.829 0.829 5 1 "[ + 1]" 1
154 1 49 THR HA 1 50 MET H 3.500 . 3.500 2.603 2.563 2.638 . 0 0 "[ . 1]" 1
155 1 50 MET H 1 51 THR H 4.500 . 4.500 4.107 4.044 4.244 . 0 0 "[ . 1]" 1
156 1 51 THR H 1 52 VAL H 4.500 . 4.500 4.617 4.538 4.654 0.154 4 0 "[ . 1]" 1
157 1 51 THR H 1 53 GLU H 4.500 . 4.500 4.786 4.562 5.013 0.513 3 1 "[ + . 1]" 1
158 1 51 THR H 1 115 ILE MD 6.000 . 6.000 4.430 3.946 5.017 . 0 0 "[ . 1]" 1
159 1 51 THR HA 1 52 VAL H 3.500 . 3.500 2.328 2.182 2.488 . 0 0 "[ . 1]" 1
160 1 51 THR HA 1 53 GLU H 4.500 . 4.500 3.821 3.508 4.028 . 0 0 "[ . 1]" 1
161 1 52 VAL H 1 53 GLU H 2.800 . 2.800 2.604 2.464 2.685 . 0 0 "[ . 1]" 1
162 1 52 VAL H 1 54 GLN H 4.500 . 4.500 4.631 4.546 4.695 0.195 7 0 "[ . 1]" 1
163 1 52 VAL H 1 115 ILE MD 6.000 . 6.000 3.038 2.453 4.234 . 0 0 "[ . 1]" 1
164 1 52 VAL HA 1 53 GLU H 3.500 . 3.500 3.369 3.346 3.384 . 0 0 "[ . 1]" 1
165 1 52 VAL HA 1 54 GLN H 4.500 . 4.500 3.640 3.321 3.975 . 0 0 "[ . 1]" 1
166 1 52 VAL QG 1 57 LEU H 6.000 . 6.000 4.631 4.196 4.951 . 0 0 "[ . 1]" 1
167 1 52 VAL QG 1 111 ALA H 6.000 . 6.000 4.486 4.131 4.935 . 0 0 "[ . 1]" 1
168 1 52 VAL QG 1 112 ALA H 6.000 . 6.000 3.782 3.371 4.270 . 0 0 "[ . 1]" 1
169 1 52 VAL QG 1 115 ILE H 6.000 . 6.000 4.161 3.306 4.621 . 0 0 "[ . 1]" 1
170 1 52 VAL QG 1 115 ILE MD 6.000 . 6.000 2.596 1.626 3.225 . 0 0 "[ . 1]" 1
171 1 53 GLU H 1 54 GLN H 2.800 . 2.800 2.663 2.545 2.827 0.027 10 0 "[ . 1]" 1
172 1 53 GLU H 1 55 MET H 4.500 . 4.500 4.128 3.753 4.569 0.069 4 0 "[ . 1]" 1
173 1 53 GLU HA 1 54 GLN H 3.500 . 3.500 3.511 3.484 3.534 0.034 7 0 "[ . 1]" 1
174 1 54 GLN H 1 55 MET H 2.800 . 2.800 2.445 2.341 2.631 . 0 0 "[ . 1]" 1
175 1 54 GLN H 1 56 ALA H 4.500 . 4.500 3.888 3.603 4.101 . 0 0 "[ . 1]" 1
176 1 54 GLN H 1 115 ILE MD 6.000 . 6.000 4.641 3.871 5.091 . 0 0 "[ . 1]" 1
177 1 54 GLN HA 1 55 MET H 3.500 . 3.500 3.542 3.488 3.570 0.070 3 0 "[ . 1]" 1
178 1 55 MET H 1 56 ALA H 2.800 . 2.800 2.596 2.361 2.846 0.046 10 0 "[ . 1]" 1
179 1 55 MET H 1 57 LEU H 4.500 . 4.500 4.321 4.065 4.546 0.046 3 0 "[ . 1]" 1
180 1 55 MET H 1 115 ILE MD 6.000 . 6.000 3.867 3.371 4.277 . 0 0 "[ . 1]" 1
181 1 55 MET HA 1 56 ALA H 6.000 . 6.000 3.548 3.491 3.585 . 0 0 "[ . 1]" 1
182 1 55 MET HA 1 58 THR H 4.000 . 4.000 3.540 3.207 3.777 . 0 0 "[ . 1]" 1
183 1 55 MET QG 1 115 ILE MD 5.000 . 5.000 2.923 1.783 3.725 . 0 0 "[ . 1]" 1
184 1 56 ALA H 1 57 LEU H 2.800 . 2.800 2.804 2.658 2.857 0.057 4 0 "[ . 1]" 1
185 1 56 ALA H 1 58 THR H 4.500 . 4.500 4.231 3.695 4.550 0.050 4 0 "[ . 1]" 1
186 1 56 ALA H 1 115 ILE MD 6.000 . 6.000 4.915 4.281 5.092 . 0 0 "[ . 1]" 1
187 1 56 ALA HA 1 57 LEU H 3.500 . 3.500 3.572 3.555 3.587 0.087 2 0 "[ . 1]" 1
188 1 56 ALA HA 1 59 ILE H 4.000 . 4.000 3.842 3.338 4.111 0.111 4 0 "[ . 1]" 1
189 1 57 LEU H 1 58 THR H 2.800 . 2.800 2.762 2.603 2.873 0.073 6 0 "[ . 1]" 1
190 1 57 LEU H 1 59 ILE H 4.500 . 4.500 4.353 3.924 4.543 0.043 6 0 "[ . 1]" 1
191 1 57 LEU QD 1 62 GLY H 6.000 . 6.000 4.600 3.879 4.999 . 0 0 "[ . 1]" 1
192 1 57 LEU QD 1 189 ILE MD 6.000 . 6.000 3.690 3.378 3.777 . 0 0 "[ . 1]" 1
193 1 58 THR H 1 59 ILE H 2.800 . 2.800 2.692 2.339 2.864 0.064 7 0 "[ . 1]" 1
194 1 58 THR H 1 60 ARG H 6.800 . 6.800 3.910 3.745 4.041 . 0 0 "[ . 1]" 1
195 1 58 THR HA 1 59 ILE H 3.500 . 3.500 3.560 3.493 3.590 0.090 10 0 "[ . 1]" 1
196 1 58 THR HA 1 60 ARG H 6.000 . 6.000 3.842 3.736 3.969 . 0 0 "[ . 1]" 1
197 1 59 ILE H 1 60 ARG H 6.800 . 6.800 2.712 2.368 2.875 . 0 0 "[ . 1]" 1
198 1 59 ILE H 1 61 HIS H 4.500 . 4.500 4.651 4.585 4.831 0.331 4 0 "[ . 1]" 1
199 1 59 ILE MD 1 111 ALA H 6.000 . 6.000 3.402 2.186 4.869 . 0 0 "[ . 1]" 1
200 1 59 ILE MD 1 112 ALA H 6.000 . 6.000 4.688 4.033 5.037 . 0 0 "[ . 1]" 1
201 1 60 ARG H 1 61 HIS H 2.800 . 2.800 2.668 2.495 2.876 0.076 4 0 "[ . 1]" 1
202 1 60 ARG H 1 62 GLY H 4.500 . 4.500 3.804 3.657 4.256 . 0 0 "[ . 1]" 1
203 1 61 HIS H 1 62 GLY H 2.800 . 2.800 2.191 2.017 2.874 0.074 1 0 "[ . 1]" 1
204 1 61 HIS H 1 175 LEU QD 6.000 . 6.000 4.804 4.346 5.157 . 0 0 "[ . 1]" 1
205 1 61 HIS HA 1 62 GLY H 3.500 . 3.500 3.390 2.904 3.596 0.096 8 0 "[ . 1]" 1
206 1 62 GLY H 1 63 SER H 4.500 . 4.500 4.310 3.689 4.399 . 0 0 "[ . 1]" 1
207 1 62 GLY H 1 64 GLY H 6.800 . 6.800 5.705 5.259 6.977 0.177 1 0 "[ . 1]" 1
208 1 62 GLY H 1 175 LEU QD 6.000 . 6.000 4.854 4.741 4.988 . 0 0 "[ . 1]" 1
209 1 62 GLY HA2 1 63 SER H 2.700 . 2.700 2.708 2.320 2.788 0.088 7 0 "[ . 1]" 1
210 1 62 GLY HA3 1 63 SER H 3.500 . 3.500 2.589 2.441 3.464 . 0 0 "[ . 1]" 1
211 1 63 SER H 1 64 GLY H 2.800 . 2.800 3.600 3.374 4.149 1.349 1 10 [+-********] 1
212 1 63 SER H 1 65 ILE H 4.500 . 4.500 4.986 4.232 5.418 0.918 2 6 "[ +* .*-**1]" 1
213 1 63 SER HA 1 64 GLY H 3.500 . 3.500 2.166 2.107 2.451 . 0 0 "[ . 1]" 1
214 1 63 SER HA 1 65 ILE H 4.500 . 4.500 4.319 3.744 4.744 0.244 1 0 "[ . 1]" 1
215 1 64 GLY H 1 65 ILE H 2.800 . 2.800 3.327 2.881 3.485 0.685 4 7 "[ *+**- **]" 1
216 1 64 GLY QA 1 65 ILE H 3.500 . 3.500 2.282 2.215 2.462 . 0 0 "[ . 1]" 1
217 1 65 ILE H 1 66 VAL H 4.500 . 4.500 4.113 3.590 4.630 0.130 2 0 "[ . 1]" 1
218 1 65 ILE HA 1 66 VAL H 2.500 . 2.500 2.229 2.134 2.346 . 0 0 "[ . 1]" 1
219 1 65 ILE MD 1 109 VAL MG1 6.000 . 6.000 4.202 4.165 4.235 . 0 0 "[ . 1]" 1
220 1 65 ILE MD 1 109 VAL MG2 6.000 . 6.000 4.124 3.532 4.232 . 0 0 "[ . 1]" 1
221 1 65 ILE MD 1 136 HIS HA 5.000 . 5.000 4.161 3.540 4.389 . 0 0 "[ . 1]" 1
222 1 65 ILE MD 1 136 HIS QB 5.000 . 5.000 3.025 1.997 3.780 . 0 0 "[ . 1]" 1
223 1 65 ILE MD 1 138 PHE QD 5.000 . 5.000 3.007 1.872 3.780 . 0 0 "[ . 1]" 1
224 1 65 ILE MD 1 138 PHE QE 5.000 . 5.000 2.110 1.829 3.053 . 0 0 "[ . 1]" 1
225 1 65 ILE MD 1 138 PHE HZ 5.000 . 5.000 3.572 2.532 4.223 . 0 0 "[ . 1]" 1
226 1 66 VAL H 1 67 CYS H 4.500 . 4.500 4.652 4.606 4.711 0.211 3 0 "[ . 1]" 1
227 1 66 VAL HA 1 67 CYS H 2.500 . 2.500 2.314 2.251 2.416 . 0 0 "[ . 1]" 1
228 1 67 CYS H 1 68 LEU H 4.500 . 4.500 4.468 4.253 4.674 0.174 3 0 "[ . 1]" 1
229 1 67 CYS H 1 172 LEU H 3.300 . 3.300 2.628 1.907 3.351 0.051 10 0 "[ . 1]" 1
230 1 67 CYS H 1 172 LEU MD1 6.000 . 6.000 4.960 4.631 5.271 . 0 0 "[ . 1]" 1
231 1 67 CYS H 1 172 LEU MD2 6.000 . 6.000 5.103 4.630 5.469 . 0 0 "[ . 1]" 1
232 1 67 CYS HA 1 68 LEU H 2.500 . 2.500 2.255 2.110 2.452 . 0 0 "[ . 1]" 1
233 1 67 CYS HA 1 138 PHE H 4.500 . 4.500 4.806 4.360 5.084 0.584 6 2 "[ .+ -1]" 1
234 1 67 CYS HA 1 139 PRO HA 5.000 . 5.000 4.728 3.812 5.250 0.250 10 0 "[ . 1]" 1
235 1 67 CYS QB 1 68 LEU H 5.000 . 5.000 3.502 2.660 3.904 . 0 0 "[ . 1]" 1
236 1 67 CYS QB 1 172 LEU H 5.000 . 5.000 2.970 1.836 3.668 . 0 0 "[ . 1]" 1
237 1 67 CYS QB 1 172 LEU MD2 5.000 . 5.000 4.108 3.774 4.531 . 0 0 "[ . 1]" 1
238 1 68 LEU H 1 69 CYS H 4.500 . 4.500 4.170 3.659 4.589 0.089 6 0 "[ . 1]" 1
239 1 68 LEU H 1 137 VAL MG1 6.000 . 6.000 4.710 4.212 5.720 . 0 0 "[ . 1]" 1
240 1 68 LEU H 1 138 PHE H 4.500 . 4.500 3.969 3.448 4.521 0.021 6 0 "[ . 1]" 1
241 1 68 LEU H 1 139 PRO HA 3.500 . 3.500 2.888 1.953 3.555 0.055 4 0 "[ . 1]" 1
242 1 68 LEU H 1 140 LEU H 4.500 . 4.500 4.383 3.627 4.758 0.258 5 0 "[ . 1]" 1
243 1 68 LEU H 1 140 LEU QD 6.000 . 6.000 4.290 2.460 5.016 . 0 0 "[ . 1]" 1
244 1 68 LEU HA 1 69 CYS H 2.500 . 2.500 2.283 2.155 2.457 . 0 0 "[ . 1]" 1
245 1 68 LEU HA 1 171 VAL HA 3.500 . 3.500 2.913 1.962 3.544 0.044 2 0 "[ . 1]" 1
246 1 68 LEU MD1 1 170 GLY H 6.000 . 6.000 4.314 3.298 5.121 . 0 0 "[ . 1]" 1
247 1 68 LEU MD2 1 138 PHE QD 5.000 . 5.000 3.422 1.827 4.813 . 0 0 "[ . 1]" 1
248 1 68 LEU MD2 1 138 PHE QE 5.000 . 5.000 3.413 2.106 4.581 . 0 0 "[ . 1]" 1
249 1 68 LEU MD2 1 138 PHE HZ 5.000 . 5.000 4.780 4.194 5.909 0.909 4 3 "[ +-* 1]" 1
250 1 68 LEU MD2 1 170 GLY H 6.000 . 6.000 4.934 4.085 5.209 . 0 0 "[ . 1]" 1
251 1 69 CYS H 1 70 ILE H 4.500 . 4.500 4.566 4.474 4.601 0.101 4 0 "[ . 1]" 1
252 1 69 CYS H 1 158 ILE MD 6.000 . 6.000 4.353 3.991 5.049 . 0 0 "[ . 1]" 1
253 1 69 CYS H 1 170 GLY H 3.300 . 3.300 2.590 1.949 3.480 0.180 10 0 "[ . 1]" 1
254 1 69 CYS H 1 171 VAL HA 3.500 . 3.500 3.701 3.554 3.939 0.439 10 0 "[ . 1]" 1
255 1 69 CYS H 1 172 LEU H 6.800 . 6.800 5.148 4.129 5.854 . 0 0 "[ . 1]" 1
256 1 69 CYS HA 1 70 ILE H 2.500 . 2.500 2.227 2.166 2.337 . 0 0 "[ . 1]" 1
257 1 69 CYS HA 1 140 LEU H 3.500 . 3.500 2.778 2.152 3.515 0.015 1 0 "[ . 1]" 1
258 1 70 ILE H 1 71 THR H 4.500 . 4.500 4.396 4.288 4.554 0.054 9 0 "[ . 1]" 1
259 1 70 ILE H 1 140 LEU H 4.500 . 4.500 3.540 3.119 4.006 . 0 0 "[ . 1]" 1
260 1 70 ILE H 1 141 ARG HA 3.500 . 3.500 3.569 3.275 3.680 0.180 8 0 "[ . 1]" 1
261 1 70 ILE H 1 142 ALA H 4.500 . 4.500 3.971 3.388 4.400 . 0 0 "[ . 1]" 1
262 1 70 ILE H 1 158 ILE MD 6.000 . 6.000 3.005 2.550 3.854 . 0 0 "[ . 1]" 1
263 1 70 ILE HA 1 71 THR H 2.500 . 2.500 2.420 2.238 2.616 0.116 7 0 "[ . 1]" 1
264 1 70 ILE HA 1 158 ILE MD 5.000 . 5.000 2.104 1.821 2.413 . 0 0 "[ . 1]" 1
265 1 70 ILE HA 1 169 ALA HA 3.500 . 3.500 3.483 2.912 3.686 0.186 10 0 "[ . 1]" 1
266 1 70 ILE HB 1 158 ILE MD 5.000 . 5.000 4.138 3.964 4.289 . 0 0 "[ . 1]" 1
267 1 70 ILE MD 1 75 ARG H 6.000 . 6.000 3.949 3.039 5.061 . 0 0 "[ . 1]" 1
268 1 70 ILE MD 1 76 LYS H 6.000 . 6.000 4.411 3.191 5.035 . 0 0 "[ . 1]" 1
269 1 70 ILE MD 1 78 LEU MD2 6.000 . 6.000 4.715 3.542 5.882 . 0 0 "[ . 1]" 1
270 1 70 ILE MD 1 80 LEU MD1 6.000 . 6.000 4.755 4.117 6.342 0.342 6 0 "[ . 1]" 1
271 1 70 ILE MD 1 140 LEU H 6.000 . 6.000 4.892 4.234 5.110 . 0 0 "[ . 1]" 1
272 1 71 THR H 1 72 GLU H 4.500 . 4.500 4.540 4.475 4.602 0.102 1 0 "[ . 1]" 1
273 1 71 THR H 1 73 ASP H 4.500 . 4.500 4.693 4.262 4.974 0.474 9 0 "[ . 1]" 1
274 1 71 THR H 1 75 ARG H 6.800 . 6.800 3.818 3.383 4.897 . 0 0 "[ . 1]" 1
275 1 71 THR H 1 158 ILE MD 6.000 . 6.000 2.731 2.081 3.588 . 0 0 "[ . 1]" 1
276 1 71 THR HA 1 72 GLU H 3.500 . 3.500 2.414 2.231 2.587 . 0 0 "[ . 1]" 1
277 1 71 THR HA 1 73 ASP H 4.500 . 4.500 4.053 3.850 4.307 . 0 0 "[ . 1]" 1
278 1 71 THR HA 1 142 ALA H 3.500 . 3.500 3.377 2.772 3.657 0.157 5 0 "[ . 1]" 1
279 1 72 GLU H 1 73 ASP H 2.800 . 2.800 2.587 2.192 2.955 0.155 5 0 "[ . 1]" 1
280 1 72 GLU H 1 74 ARG H 4.500 . 4.500 4.655 4.264 4.998 0.498 10 0 "[ . 1]" 1
281 1 72 GLU H 1 142 ALA H 4.500 . 4.500 4.533 4.006 4.738 0.238 4 0 "[ . 1]" 1
282 1 73 ASP H 1 74 ARG H 2.800 . 2.800 2.629 2.330 2.964 0.164 10 0 "[ . 1]" 1
283 1 73 ASP H 1 75 ARG H 4.500 . 4.500 3.789 3.187 4.255 . 0 0 "[ . 1]" 1
284 1 73 ASP HA 1 74 ARG H 3.500 . 3.500 3.533 3.492 3.557 0.057 8 0 "[ . 1]" 1
285 1 73 ASP HA 1 76 LYS H 4.500 . 4.500 3.989 3.358 4.550 0.050 10 0 "[ . 1]" 1
286 1 74 ARG H 1 75 ARG H 2.800 . 2.800 2.448 2.230 2.810 0.010 2 0 "[ . 1]" 1
287 1 74 ARG H 1 76 LYS H 4.500 . 4.500 3.955 3.737 4.609 0.109 5 0 "[ . 1]" 1
288 1 74 ARG HA 1 77 GLN H 4.000 . 4.000 3.811 3.428 4.040 0.040 6 0 "[ . 1]" 1
289 1 74 ARG HA 1 78 LEU H 4.500 . 4.500 4.518 4.198 4.639 0.139 4 0 "[ . 1]" 1
290 1 75 ARG H 1 76 LYS H 2.800 . 2.800 2.627 2.349 2.935 0.135 5 0 "[ . 1]" 1
291 1 75 ARG H 1 77 GLN H 4.500 . 4.500 4.385 4.142 4.633 0.133 6 0 "[ . 1]" 1
292 1 75 ARG HA 1 76 LYS H 3.500 . 3.500 3.563 3.509 3.615 0.115 9 0 "[ . 1]" 1
293 1 75 ARG HA 1 78 LEU H 6.000 . 6.000 3.589 3.135 4.315 . 0 0 "[ . 1]" 1
294 1 76 LYS H 1 77 GLN H 2.800 . 2.800 2.742 2.288 2.959 0.159 5 0 "[ . 1]" 1
295 1 76 LYS H 1 78 LEU H 4.500 . 4.500 4.170 3.715 4.619 0.119 5 0 "[ . 1]" 1
296 1 76 LYS HA 1 77 GLN H 3.500 . 3.500 3.535 3.506 3.547 0.047 10 0 "[ . 1]" 1
297 1 76 LYS HA 1 79 ASP H 4.000 . 4.000 3.913 3.044 4.254 0.254 5 0 "[ . 1]" 1
298 1 77 GLN H 1 78 LEU H 2.800 . 2.800 2.940 2.717 3.162 0.362 7 0 "[ . 1]" 1
299 1 77 GLN H 1 79 ASP H 6.800 . 6.800 4.245 3.919 4.518 . 0 0 "[ . 1]" 1
300 1 77 GLN HA 1 78 LEU H 3.500 . 3.500 3.536 3.488 3.589 0.089 3 0 "[ . 1]" 1
301 1 78 LEU H 1 79 ASP H 2.800 . 2.800 2.396 1.891 2.940 0.140 6 0 "[ . 1]" 1
302 1 78 LEU H 1 80 LEU H 6.800 . 6.800 4.674 4.400 5.093 . 0 0 "[ . 1]" 1
303 1 78 LEU HA 1 79 ASP H 3.500 . 3.500 3.200 2.678 3.564 0.064 7 0 "[ . 1]" 1
304 1 78 LEU MD1 1 127 LYS H 6.000 . 6.000 4.532 2.283 6.160 0.160 5 0 "[ . 1]" 1
305 1 78 LEU MD1 1 131 LEU MD1 6.000 . 6.000 3.555 2.100 4.306 . 0 0 "[ . 1]" 1
306 1 78 LEU MD1 1 131 LEU MD2 6.000 . 6.000 3.985 1.675 5.923 . 0 0 "[ . 1]" 1
307 1 79 ASP H 1 80 LEU H 4.500 . 4.500 3.599 3.417 3.839 . 0 0 "[ . 1]" 1
308 1 79 ASP HA 1 80 LEU H 2.500 . 2.500 2.408 2.135 2.708 0.208 7 0 "[ . 1]" 1
309 1 80 LEU MD2 1 97 VAL MG1 6.000 . 6.000 3.575 1.653 4.860 . 0 0 "[ . 1]" 1
310 1 80 LEU MD2 1 97 VAL MG2 6.000 . 6.000 4.083 2.199 5.702 . 0 0 "[ . 1]" 1
311 1 81 PRO HA 1 82 MET H 2.500 . 2.500 2.332 2.224 2.468 . 0 0 "[ . 1]" 1
312 1 82 MET H 1 97 VAL H 4.500 . 4.500 4.532 3.729 4.924 0.424 7 0 "[ . 1]" 1
313 1 82 MET H 1 97 VAL MG1 6.000 . 6.000 3.440 1.905 6.104 0.104 2 0 "[ . 1]" 1
314 1 84 VAL H 1 96 THR HA 3.500 . 3.500 3.762 3.539 4.160 0.660 7 1 "[ . + 1]" 1
315 1 84 VAL H 1 97 VAL H 6.800 . 6.800 4.193 2.773 6.022 . 0 0 "[ . 1]" 1
316 1 84 VAL HA 1 85 GLU H 2.500 . 2.500 2.253 2.197 2.348 . 0 0 "[ . 1]" 1
317 1 84 VAL HA 1 86 ASN H 4.500 . 4.500 3.656 3.016 3.956 . 0 0 "[ . 1]" 1
318 1 84 VAL MG2 1 97 VAL MG1 6.000 . 6.000 4.406 1.738 5.820 . 0 0 "[ . 1]" 1
319 1 84 VAL MG2 1 98 THR H 6.000 . 6.000 4.754 2.729 6.687 0.687 1 1 "[+ . 1]" 1
320 1 85 GLU H 1 86 ASN H 2.800 . 2.800 2.771 2.169 3.028 0.228 1 0 "[ . 1]" 1
321 1 85 GLU HA 1 86 ASN H 3.500 . 3.500 3.051 2.805 3.229 . 0 0 "[ . 1]" 1
322 1 86 ASN H 1 87 ASN H 4.500 . 4.500 3.301 2.293 4.051 . 0 0 "[ . 1]" 1
323 1 92 GLY H 1 93 THR H 2.800 . 2.800 2.607 2.390 2.816 0.016 1 0 "[ . 1]" 1
324 1 94 GLY QA 1 95 PHE H 3.500 . 3.500 2.868 2.736 3.006 . 0 0 "[ . 1]" 1
325 1 95 PHE H 1 96 THR H 4.500 . 4.500 3.783 2.570 4.364 . 0 0 "[ . 1]" 1
326 1 95 PHE H 1 140 LEU QD 6.000 . 6.000 4.493 3.607 4.975 . 0 0 "[ . 1]" 1
327 1 95 PHE HA 1 96 THR H 2.500 . 2.500 2.432 2.100 2.833 0.333 6 0 "[ . 1]" 1
328 1 95 PHE HA 1 97 VAL H 4.500 . 4.500 4.240 3.628 4.803 0.303 1 0 "[ . 1]" 1
329 1 95 PHE QD 1 140 LEU QD 5.000 . 5.000 2.846 2.046 3.639 . 0 0 "[ . 1]" 1
330 1 95 PHE QE 1 140 LEU QD 5.000 . 5.000 2.854 2.049 3.540 . 0 0 "[ . 1]" 1
331 1 95 PHE HZ 1 140 LEU QD 5.000 . 5.000 3.984 3.697 4.139 . 0 0 "[ . 1]" 1
332 1 96 THR H 1 97 VAL H 4.500 . 4.500 3.173 2.159 3.969 . 0 0 "[ . 1]" 1
333 1 96 THR H 1 140 LEU QD 6.000 . 6.000 3.726 2.189 4.889 . 0 0 "[ . 1]" 1
334 1 96 THR H 1 141 ARG H 4.500 . 4.500 4.445 3.710 4.717 0.217 4 0 "[ . 1]" 1
335 1 96 THR HA 1 97 VAL H 2.500 . 2.500 2.680 2.251 3.211 0.711 5 3 "[ + -*]" 1
336 1 96 THR HA 1 140 LEU HA 5.000 . 5.000 5.137 4.643 5.554 0.554 9 1 "[ . +1]" 1
337 1 97 VAL H 1 98 THR H 4.500 . 4.500 4.401 3.785 4.673 0.173 7 0 "[ . 1]" 1
338 1 97 VAL HA 1 98 THR H 2.500 . 2.500 2.292 2.158 2.529 0.029 5 0 "[ . 1]" 1
339 1 98 THR H 1 99 ILE H 4.500 . 4.500 4.561 4.467 4.660 0.160 6 0 "[ . 1]" 1
340 1 98 THR H 1 135 GLY H 4.500 . 4.500 4.808 4.649 5.102 0.602 5 1 "[ + 1]" 1
341 1 98 THR HA 1 99 ILE H 3.500 . 3.500 2.529 2.290 2.828 . 0 0 "[ . 1]" 1
342 1 98 THR HA 1 135 GLY H 4.500 . 4.500 4.202 3.190 4.712 0.212 1 0 "[ . 1]" 1
343 1 99 ILE H 1 100 GLU H 4.500 . 4.500 4.295 4.131 4.518 0.018 7 0 "[ . 1]" 1
344 1 99 ILE H 1 131 LEU MD1 6.000 . 6.000 5.101 4.725 5.279 . 0 0 "[ . 1]" 1
345 1 99 ILE H 1 131 LEU MD2 6.000 . 6.000 5.043 4.712 5.293 . 0 0 "[ . 1]" 1
346 1 99 ILE H 1 135 GLY H 4.500 . 4.500 3.119 2.406 3.566 . 0 0 "[ . 1]" 1
347 1 99 ILE H 1 135 GLY QA 4.500 . 4.500 3.897 3.136 4.295 . 0 0 "[ . 1]" 1
348 1 99 ILE H 1 136 HIS H 6.000 . 6.000 5.442 4.665 5.809 . 0 0 "[ . 1]" 1
349 1 99 ILE H 1 137 VAL H 3.300 . 3.300 3.576 3.356 3.859 0.559 6 1 "[ .+ 1]" 1
350 1 99 ILE H 1 137 VAL MG1 6.000 . 6.000 3.000 2.311 3.729 . 0 0 "[ . 1]" 1
351 1 99 ILE H 1 137 VAL MG2 6.000 . 6.000 2.935 2.001 4.687 . 0 0 "[ . 1]" 1
352 1 99 ILE HA 1 100 GLU H 2.500 . 2.500 2.262 2.131 2.371 . 0 0 "[ . 1]" 1
353 1 99 ILE MD 1 131 LEU MD1 6.000 . 6.000 2.635 1.808 4.015 . 0 0 "[ . 1]" 1
354 1 99 ILE MD 1 131 LEU MD2 6.000 . 6.000 2.746 1.642 4.169 . 0 0 "[ . 1]" 1
355 1 100 GLU H 1 101 ALA H 4.500 . 4.500 4.404 4.003 4.581 0.081 9 0 "[ . 1]" 1
356 1 100 GLU H 1 131 LEU MD1 6.000 . 6.000 4.059 3.358 4.644 . 0 0 "[ . 1]" 1
357 1 100 GLU H 1 131 LEU MD2 6.000 . 6.000 3.905 2.833 5.048 . 0 0 "[ . 1]" 1
358 1 100 GLU H 1 132 ASN H 2.800 . 2.800 2.846 2.593 2.976 0.176 8 0 "[ . 1]" 1
359 1 100 GLU H 1 135 GLY H 4.500 . 4.500 4.616 4.336 5.132 0.632 9 1 "[ . +1]" 1
360 1 100 GLU HA 1 101 ALA H 3.500 . 3.500 2.256 2.162 2.494 . 0 0 "[ . 1]" 1
361 1 100 GLU HA 1 132 ASN H 4.500 . 4.500 4.557 4.124 5.257 0.757 10 1 "[ . +]" 1
362 1 100 GLU HA 1 133 ARG H 4.500 . 4.500 4.829 2.760 5.741 1.241 6 7 "[***-*+ * 1]" 1
363 1 101 ALA H 1 102 ALA H 4.500 . 4.500 4.229 3.879 4.497 . 0 0 "[ . 1]" 1
364 1 101 ALA H 1 103 GLU H 6.000 . 6.000 5.594 5.244 5.958 . 0 0 "[ . 1]" 1
365 1 101 ALA H 1 132 ASN H 6.800 . 6.800 5.255 4.643 6.100 . 0 0 "[ . 1]" 1
366 1 102 ALA H 1 103 GLU H 2.800 . 2.800 2.383 2.064 2.756 . 0 0 "[ . 1]" 1
367 1 102 ALA H 1 131 LEU HA 3.500 . 3.500 2.803 2.119 3.400 . 0 0 "[ . 1]" 1
368 1 102 ALA H 1 131 LEU MD1 6.000 . 6.000 3.863 2.262 5.002 . 0 0 "[ . 1]" 1
369 1 102 ALA H 1 131 LEU MD2 6.000 . 6.000 3.311 1.812 5.280 . 0 0 "[ . 1]" 1
370 1 102 ALA H 1 132 ASN H 4.500 . 4.500 4.131 2.818 5.152 0.652 7 1 "[ . + 1]" 1
371 1 102 ALA HA 1 103 GLU H 3.500 . 3.500 3.384 3.312 3.545 0.045 7 0 "[ . 1]" 1
372 1 102 ALA HA 1 131 LEU HA 5.000 . 5.000 4.720 3.732 5.134 0.134 4 0 "[ . 1]" 1
373 1 103 GLU H 1 104 GLY H 4.500 . 4.500 2.865 2.032 3.597 . 0 0 "[ . 1]" 1
374 1 103 GLU H 1 105 VAL H 4.500 . 4.500 3.638 3.235 3.949 . 0 0 "[ . 1]" 1
375 1 103 GLU H 1 131 LEU MD2 6.000 . 6.000 4.492 2.462 6.678 0.678 10 1 "[ . +]" 1
376 1 103 GLU H 1 132 ASN H 6.800 . 6.800 6.338 5.342 6.959 0.159 10 0 "[ . 1]" 1
377 1 104 GLY H 1 105 VAL H 2.800 . 2.800 2.243 1.876 2.760 . 0 0 "[ . 1]" 1
378 1 104 GLY HA2 1 105 VAL H 2.700 . 2.700 3.151 2.956 3.563 0.863 8 3 "[ - *. + 1]" 1
379 1 104 GLY HA3 1 105 VAL H 3.500 . 3.500 3.305 2.850 3.508 0.008 9 0 "[ . 1]" 1
380 1 105 VAL H 1 106 THR H 4.500 . 4.500 4.315 4.036 4.531 0.031 10 0 "[ . 1]" 1
381 1 105 VAL HA 1 106 THR H 3.500 . 3.500 2.267 2.214 2.303 . 0 0 "[ . 1]" 1
382 1 105 VAL QG 1 117 THR H 6.000 . 6.000 3.633 2.948 4.542 . 0 0 "[ . 1]" 1
383 1 105 VAL QG 1 123 ALA H 6.000 . 6.000 5.131 4.926 5.280 . 0 0 "[ . 1]" 1
384 1 106 THR H 1 107 THR H 2.800 . 2.800 3.014 2.889 3.664 0.864 10 1 "[ . +]" 1
385 1 106 THR H 1 108 GLY H 4.500 . 4.500 4.706 4.545 5.024 0.524 7 1 "[ . + 1]" 1
386 1 107 THR H 1 108 GLY H 2.800 . 2.800 1.964 1.803 2.714 . 0 0 "[ . 1]" 1
387 1 107 THR H 1 109 VAL H 6.800 . 6.800 4.457 3.315 5.116 . 0 0 "[ . 1]" 1
388 1 107 THR H 1 110 SER H 6.800 . 6.800 5.826 5.366 7.058 0.258 10 0 "[ . 1]" 1
389 1 107 THR HA 1 108 GLY H 3.500 . 3.500 3.463 3.128 3.511 0.011 5 0 "[ . 1]" 1
390 1 108 GLY H 1 109 VAL H 2.800 . 2.800 3.076 2.182 3.325 0.525 9 1 "[ . +1]" 1
391 1 108 GLY H 1 110 SER H 6.800 . 6.800 4.489 4.135 5.260 . 0 0 "[ . 1]" 1
392 1 108 GLY QA 1 109 VAL H 6.000 . 6.000 2.814 2.571 2.945 . 0 0 "[ . 1]" 1
393 1 109 VAL H 1 110 SER H 2.800 . 2.800 3.146 3.016 3.643 0.843 7 2 "[ . + -]" 1
394 1 109 VAL H 1 111 ALA H 6.800 . 6.800 5.653 5.454 5.968 . 0 0 "[ . 1]" 1
395 1 110 SER H 1 111 ALA H 2.800 . 2.800 2.939 2.135 3.224 0.424 9 0 "[ . 1]" 1
396 1 111 ALA H 1 112 ALA H 2.800 . 2.800 3.087 2.726 3.203 0.403 10 0 "[ . 1]" 1
397 1 111 ALA H 1 113 ASP H 5.500 . 5.500 5.190 3.064 5.616 0.116 10 0 "[ . 1]" 1
398 1 111 ALA HA 1 112 ALA H 3.500 . 3.500 3.514 3.464 3.530 0.030 10 0 "[ . 1]" 1
399 1 111 ALA HA 1 114 ARG H 4.000 . 4.000 4.063 3.501 4.273 0.273 7 0 "[ . 1]" 1
400 1 112 ALA H 1 113 ASP H 2.800 . 2.800 2.826 1.926 3.116 0.316 10 0 "[ . 1]" 1
401 1 112 ALA H 1 114 ARG H 4.500 . 4.500 3.340 3.187 3.677 . 0 0 "[ . 1]" 1
402 1 112 ALA HA 1 113 ASP H 3.500 . 3.500 3.527 3.507 3.554 0.054 9 0 "[ . 1]" 1
403 1 113 ASP H 1 114 ARG H 2.800 . 2.800 2.662 2.532 2.730 . 0 0 "[ . 1]" 1
404 1 113 ASP H 1 115 ILE H 4.500 . 4.500 4.492 4.207 4.601 0.101 9 0 "[ . 1]" 1
405 1 114 ARG H 1 115 ILE H 2.800 . 2.800 2.525 2.384 2.781 . 0 0 "[ . 1]" 1
406 1 114 ARG H 1 116 THR H 4.500 . 4.500 3.709 3.511 3.866 . 0 0 "[ . 1]" 1
407 1 114 ARG HA 1 115 ILE H 6.000 . 6.000 3.603 3.559 3.638 . 0 0 "[ . 1]" 1
408 1 115 ILE H 1 116 THR H 2.800 . 2.800 2.626 2.419 2.735 . 0 0 "[ . 1]" 1
409 1 115 ILE H 1 117 THR H 4.500 . 4.500 4.410 3.861 4.628 0.128 8 0 "[ . 1]" 1
410 1 116 THR H 1 117 THR H 2.800 . 2.800 2.361 2.072 2.578 . 0 0 "[ . 1]" 1
411 1 117 THR H 1 118 VAL H 2.800 . 2.800 2.588 2.413 2.744 . 0 0 "[ . 1]" 1
412 1 117 THR H 1 119 ARG H 6.800 . 6.800 4.294 3.883 4.672 . 0 0 "[ . 1]" 1
413 1 118 VAL H 1 119 ARG H 2.800 . 2.800 2.715 2.497 2.821 0.021 3 0 "[ . 1]" 1
414 1 118 VAL H 1 120 ALA H 4.500 . 4.500 4.000 3.657 4.585 0.085 4 0 "[ . 1]" 1
415 1 118 VAL HA 1 119 ARG H 3.500 . 3.500 3.571 3.558 3.583 0.083 8 0 "[ . 1]" 1
416 1 118 VAL HA 1 121 ALA H 4.000 . 4.000 3.065 2.595 4.012 0.012 7 0 "[ . 1]" 1
417 1 119 ARG H 1 120 ALA H 2.800 . 2.800 2.717 2.374 2.921 0.121 4 0 "[ . 1]" 1
418 1 119 ARG H 1 121 ALA H 4.500 . 4.500 3.980 3.807 4.256 . 0 0 "[ . 1]" 1
419 1 119 ARG HA 1 120 ALA H 3.500 . 3.500 3.527 3.503 3.557 0.057 4 0 "[ . 1]" 1
420 1 120 ALA H 1 121 ALA H 2.800 . 2.800 2.355 2.230 2.588 . 0 0 "[ . 1]" 1
421 1 120 ALA H 1 122 ILE H 4.500 . 4.500 4.438 3.610 4.702 0.202 2 0 "[ . 1]" 1
422 1 120 ALA H 1 123 ALA H 6.800 . 6.800 5.068 4.781 5.587 . 0 0 "[ . 1]" 1
423 1 121 ALA H 1 122 ILE H 2.800 . 2.800 2.771 2.570 2.927 0.127 2 0 "[ . 1]" 1
424 1 121 ALA H 1 123 ALA H 4.500 . 4.500 3.808 3.284 4.113 . 0 0 "[ . 1]" 1
425 1 122 ILE H 1 123 ALA H 2.800 . 2.800 2.599 1.938 2.839 0.039 8 0 "[ . 1]" 1
426 1 122 ILE H 1 131 LEU MD1 6.000 . 6.000 4.935 3.929 5.280 . 0 0 "[ . 1]" 1
427 1 122 ILE H 1 131 LEU MD2 6.000 . 6.000 5.000 4.543 5.228 . 0 0 "[ . 1]" 1
428 1 122 ILE HA 1 123 ALA H 2.700 . 2.700 3.141 2.970 3.376 0.676 4 3 "[* -+. 1]" 1
429 1 123 ALA H 1 131 LEU MD2 6.000 . 6.000 5.275 4.341 6.011 0.011 3 0 "[ . 1]" 1
430 1 123 ALA HA 1 124 ASP H 3.500 . 3.500 2.405 2.223 2.516 . 0 0 "[ . 1]" 1
431 1 124 ASP H 1 125 GLY H 6.000 . 6.000 2.822 2.113 3.614 . 0 0 "[ . 1]" 1
432 1 124 ASP HA 1 125 GLY H 3.500 . 3.500 3.532 3.483 3.584 0.084 5 0 "[ . 1]" 1
433 1 125 GLY H 1 126 ALA H 2.800 . 2.800 2.641 1.834 3.185 0.385 9 0 "[ . 1]" 1
434 1 125 GLY HA2 1 126 ALA H 3.500 . 3.500 3.346 2.950 3.564 0.064 7 0 "[ . 1]" 1
435 1 125 GLY HA3 1 126 ALA H 3.500 . 3.500 3.032 2.702 3.560 0.060 6 0 "[ . 1]" 1
436 1 126 ALA H 1 127 LYS H 4.500 . 4.500 4.035 3.764 4.618 0.118 8 0 "[ . 1]" 1
437 1 127 LYS H 1 129 SER H 4.500 . 4.500 4.783 4.587 4.943 0.443 2 0 "[ . 1]" 1
438 1 128 PRO HA 1 129 SER H 4.500 . 10.500 3.350 3.084 3.498 . 0 0 "[ . 1]" 1
439 1 129 SER H 1 130 ASP H 2.800 . 2.800 2.410 1.904 3.012 0.212 4 0 "[ . 1]" 1
440 1 129 SER H 1 131 LEU H 4.500 . 4.500 4.397 3.861 4.789 0.289 4 0 "[ . 1]" 1
441 1 129 SER HA 1 130 ASP H 3.500 . 3.500 3.255 2.777 3.521 0.021 3 0 "[ . 1]" 1
442 1 130 ASP H 1 131 LEU H 2.800 . 2.800 3.001 2.769 3.706 0.906 4 2 "[ +. - 1]" 1
443 1 130 ASP HA 1 131 LEU H 3.500 . 3.500 3.046 2.225 3.297 . 0 0 "[ . 1]" 1
444 1 131 LEU H 1 132 ASN H 4.500 . 4.500 4.008 3.383 4.581 0.081 4 0 "[ . 1]" 1
445 1 131 LEU HA 1 132 ASN H 2.500 . 2.500 2.295 2.195 2.463 . 0 0 "[ . 1]" 1
446 1 132 ASN H 1 133 ARG H 6.800 . 6.800 3.726 2.842 4.145 . 0 0 "[ . 1]" 1
447 1 135 GLY H 1 137 VAL H 4.500 . 4.500 3.379 2.990 4.731 0.231 6 0 "[ . 1]" 1
448 1 135 GLY QA 1 136 HIS H 3.500 . 3.500 2.556 2.296 2.831 . 0 0 "[ . 1]" 1
449 1 136 HIS H 1 137 VAL H 2.800 . 2.800 3.080 2.956 3.433 0.633 6 1 "[ .+ 1]" 1
450 1 136 HIS HA 1 137 VAL H 3.500 . 3.500 2.801 2.063 2.939 . 0 0 "[ . 1]" 1
451 1 136 HIS QB 1 138 PHE QD 5.000 . 5.000 4.319 3.528 4.481 . 0 0 "[ . 1]" 1
452 1 137 VAL H 1 138 PHE H 4.500 . 4.500 4.374 3.738 4.583 0.083 9 0 "[ . 1]" 1
453 1 139 PRO HA 1 140 LEU H 2.500 . 2.500 2.246 2.003 2.402 . 0 0 "[ . 1]" 1
454 1 140 LEU H 1 142 ALA H 6.800 . 6.800 5.839 5.206 6.435 . 0 0 "[ . 1]" 1
455 1 140 LEU HA 1 141 ARG H 2.500 . 2.500 2.302 2.216 2.600 0.100 6 0 "[ . 1]" 1
456 1 141 ARG H 1 142 ALA H 4.500 . 4.500 4.475 3.873 4.665 0.165 9 0 "[ . 1]" 1
457 1 142 ALA H 1 143 GLN H 4.500 . 4.500 4.160 3.374 4.409 . 0 0 "[ . 1]" 1
458 1 142 ALA H 1 158 ILE MD 6.000 . 6.000 4.697 3.971 5.124 . 0 0 "[ . 1]" 1
459 1 143 GLN H 1 144 ALA H 4.500 . 4.500 4.427 3.625 4.643 0.143 3 0 "[ . 1]" 1
460 1 143 GLN H 1 146 GLY H 6.800 . 6.800 5.425 4.269 6.522 . 0 0 "[ . 1]" 1
461 1 144 ALA H 1 145 GLY H 4.500 . 4.500 3.975 2.696 4.482 . 0 0 "[ . 1]" 1
462 1 144 ALA H 1 146 GLY H 4.500 . 4.500 4.167 2.923 4.626 0.126 9 0 "[ . 1]" 1
463 1 144 ALA HA 1 145 GLY H 3.500 . 3.500 2.413 2.199 2.955 . 0 0 "[ . 1]" 1
464 1 145 GLY H 1 146 GLY H 2.800 . 2.800 2.406 1.880 2.822 0.022 5 0 "[ . 1]" 1
465 1 145 GLY H 1 148 LEU H 6.800 . 6.800 5.704 4.235 6.728 . 0 0 "[ . 1]" 1
466 1 145 GLY HA2 1 146 GLY H 3.500 . 3.500 3.241 2.899 3.428 . 0 0 "[ . 1]" 1
467 1 145 GLY HA3 1 146 GLY H 3.500 . 3.500 3.358 3.155 3.550 0.050 6 0 "[ . 1]" 1
468 1 146 GLY H 1 147 VAL H 4.500 . 4.500 2.580 2.423 2.973 . 0 0 "[ . 1]" 1
469 1 146 GLY H 1 148 LEU H 4.500 . 4.500 4.583 3.955 4.837 0.337 5 0 "[ . 1]" 1
470 1 146 GLY QA 1 147 VAL H 3.500 . 3.500 2.941 2.908 2.987 . 0 0 "[ . 1]" 1
471 1 147 VAL H 1 148 LEU H 2.800 . 2.800 2.482 1.836 2.801 0.001 2 0 "[ . 1]" 1
472 1 147 VAL H 1 149 THR H 4.500 . 4.500 4.395 4.037 4.654 0.154 3 0 "[ . 1]" 1
473 1 147 VAL HA 1 148 LEU H 3.500 . 3.500 3.390 2.968 3.549 0.049 7 0 "[ . 1]" 1
474 1 147 VAL QG 1 152 GLY H 6.000 . 6.000 4.710 4.002 5.475 . 0 0 "[ . 1]" 1
475 1 147 VAL QG 1 153 HIS H 6.000 . 6.000 5.254 5.040 5.419 . 0 0 "[ . 1]" 1
476 1 147 VAL QG 1 154 THR H 6.000 . 6.000 4.430 3.442 4.965 . 0 0 "[ . 1]" 1
477 1 147 VAL QG 1 159 ASP H 6.000 . 6.000 4.051 2.435 5.015 . 0 0 "[ . 1]" 1
478 1 147 VAL QG 1 205 LEU MD1 6.000 . 6.000 4.981 3.847 5.780 . 0 0 "[ . 1]" 1
479 1 147 VAL QG 1 206 VAL H 6.000 . 6.000 4.321 3.973 4.827 . 0 0 "[ . 1]" 1
480 1 147 VAL QG 1 206 VAL QG 6.000 . 6.000 1.557 1.421 1.792 . 0 0 "[ . 1]" 1
481 1 148 LEU H 1 149 THR H 2.800 . 2.800 2.826 2.505 3.606 0.806 8 2 "[ . +-1]" 1
482 1 148 LEU H 1 150 ARG H 4.500 . 4.500 4.892 4.433 5.528 1.028 3 2 "[ +-. 1]" 1
483 1 148 LEU MD1 1 206 VAL QG 6.000 . 6.000 2.251 1.675 4.014 . 0 0 "[ . 1]" 1
484 1 148 LEU MD1 1 209 ARG H 6.000 . 6.000 5.374 4.464 6.407 0.407 7 0 "[ . 1]" 1
485 1 148 LEU MD1 1 210 GLN H 6.000 . 6.000 4.202 2.897 6.006 0.006 2 0 "[ . 1]" 1
486 1 148 LEU MD1 1 211 ALA H 6.000 . 6.000 5.378 4.730 6.746 0.746 9 1 "[ . +1]" 1
487 1 148 LEU MD2 1 206 VAL QG 6.000 . 6.000 2.199 1.706 3.479 . 0 0 "[ . 1]" 1
488 1 149 THR H 1 150 ARG H 2.800 . 2.800 2.914 2.642 3.512 0.712 3 2 "[ + . - 1]" 1
489 1 149 THR H 1 151 GLY H 6.800 . 6.800 6.366 4.321 7.244 0.444 8 0 "[ . 1]" 1
490 1 149 THR HA 1 150 ARG H 3.500 . 3.500 2.383 2.059 2.498 . 0 0 "[ . 1]" 1
491 1 150 ARG H 1 152 GLY H 6.800 . 6.800 4.536 2.987 5.707 . 0 0 "[ . 1]" 1
492 1 151 GLY H 1 152 GLY H 4.500 . 4.500 2.974 2.304 3.818 . 0 0 "[ . 1]" 1
493 1 151 GLY QA 1 152 GLY H 2.700 . 2.700 2.649 2.163 2.771 0.071 4 0 "[ . 1]" 1
494 1 152 GLY H 1 153 HIS H 4.500 . 4.500 4.279 4.113 4.373 . 0 0 "[ . 1]" 1
495 1 152 GLY H 1 154 THR H 4.500 . 4.500 4.673 3.583 4.950 0.450 4 0 "[ . 1]" 1
496 1 152 GLY H 1 202 ILE MD 6.000 . 6.000 4.620 3.716 5.453 . 0 0 "[ . 1]" 1
497 1 152 GLY QA 1 153 HIS H 3.500 . 3.500 2.201 2.086 2.272 . 0 0 "[ . 1]" 1
498 1 153 HIS H 1 154 THR H 2.800 . 2.800 2.403 2.169 2.983 0.183 9 0 "[ . 1]" 1
499 1 153 HIS H 1 155 GLU H 6.800 . 6.800 4.774 3.509 5.306 . 0 0 "[ . 1]" 1
500 1 154 THR H 1 155 GLU H 2.800 . 2.800 2.869 2.365 3.339 0.539 9 1 "[ . +1]" 1
501 1 154 THR H 1 202 ILE MD 6.000 . 6.000 4.938 4.519 5.465 . 0 0 "[ . 1]" 1
502 1 154 THR HA 1 155 GLU H 3.500 . 3.500 3.530 3.365 3.572 0.072 4 0 "[ . 1]" 1
503 1 157 THR H 1 158 ILE H 6.800 . 6.800 2.476 2.252 3.176 . 0 0 "[ . 1]" 1
504 1 158 ILE H 1 159 ASP H 2.800 . 2.800 2.296 1.899 2.464 . 0 0 "[ . 1]" 1
505 1 158 ILE H 1 160 LEU H 4.500 . 4.500 3.607 3.387 3.867 . 0 0 "[ . 1]" 1
506 1 158 ILE HA 1 159 ASP H 3.500 . 3.500 3.500 3.422 3.588 0.088 9 0 "[ . 1]" 1
507 1 158 ILE MD 1 169 ALA H 6.000 . 6.000 3.536 2.406 5.129 . 0 0 "[ . 1]" 1
508 1 158 ILE MD 1 169 ALA HA 5.000 . 5.000 2.778 2.553 3.018 . 0 0 "[ . 1]" 1
509 1 158 ILE MD 1 169 ALA MB 5.000 . 5.000 3.774 3.590 3.900 . 0 0 "[ . 1]" 1
510 1 158 ILE MD 1 170 GLY H 6.000 . 6.000 3.676 3.460 4.215 . 0 0 "[ . 1]" 1
511 1 159 ASP H 1 160 LEU H 2.800 . 2.800 2.405 1.912 2.622 . 0 0 "[ . 1]" 1
512 1 159 ASP H 1 161 MET H 4.500 . 4.500 4.073 3.801 4.383 . 0 0 "[ . 1]" 1
513 1 160 LEU H 1 161 MET H 2.800 . 2.800 2.666 2.465 2.807 0.007 8 0 "[ . 1]" 1
514 1 160 LEU H 1 162 THR H 4.500 . 4.500 3.973 3.712 4.308 . 0 0 "[ . 1]" 1
515 1 160 LEU H 1 206 VAL QG 6.000 . 6.000 4.730 3.857 5.063 . 0 0 "[ . 1]" 1
516 1 161 MET H 1 162 THR H 2.800 . 2.800 2.614 2.253 2.815 0.015 10 0 "[ . 1]" 1
517 1 161 MET H 1 163 LEU H 6.000 . 6.000 4.062 3.769 4.501 . 0 0 "[ . 1]" 1
518 1 162 THR H 1 163 LEU H 2.800 . 2.800 2.538 2.195 2.752 . 0 0 "[ . 1]" 1
519 1 162 THR H 1 164 ALA H 4.500 . 4.500 4.115 3.566 4.627 0.127 10 0 "[ . 1]" 1
520 1 162 THR HA 1 163 LEU H 3.500 . 3.500 3.574 3.489 3.632 0.132 4 0 "[ . 1]" 1
521 1 163 LEU H 1 164 ALA H 2.800 . 2.800 2.812 2.359 3.173 0.373 10 0 "[ . 1]" 1
522 1 163 LEU H 1 165 GLY H 4.500 . 4.500 4.191 3.695 4.506 0.006 7 0 "[ . 1]" 1
523 1 163 LEU H 1 206 VAL QG 6.000 . 6.000 5.034 4.772 5.235 . 0 0 "[ . 1]" 1
524 1 163 LEU MD1 1 172 LEU MD1 6.000 . 6.000 4.288 4.184 4.461 . 0 0 "[ . 1]" 1
525 1 163 LEU MD1 1 172 LEU MD2 6.000 . 6.000 4.313 3.972 4.542 . 0 0 "[ . 1]" 1
526 1 163 LEU MD1 1 209 ARG H 6.000 . 6.000 5.310 4.718 5.812 . 0 0 "[ . 1]" 1
527 1 163 LEU MD2 1 172 LEU MD1 6.000 . 6.000 4.277 3.982 4.454 . 0 0 "[ . 1]" 1
528 1 163 LEU MD2 1 172 LEU MD2 6.000 . 6.000 4.251 3.805 4.446 . 0 0 "[ . 1]" 1
529 1 164 ALA H 1 165 GLY H 2.800 . 2.800 2.430 1.934 3.043 0.243 7 0 "[ . 1]" 1
530 1 164 ALA H 1 166 PHE H 6.800 . 6.800 4.036 3.190 5.008 . 0 0 "[ . 1]" 1
531 1 164 ALA H 1 167 LYS H 6.800 . 6.800 5.813 4.358 7.367 0.567 8 1 "[ . + 1]" 1
532 1 164 ALA HA 1 165 GLY H 6.000 . 6.000 3.330 3.053 3.472 . 0 0 "[ . 1]" 1
533 1 165 GLY H 1 166 PHE H 2.800 . 2.800 2.716 2.568 2.947 0.147 4 0 "[ . 1]" 1
534 1 165 GLY H 1 167 LYS H 6.800 . 6.800 5.080 3.493 6.914 0.114 8 0 "[ . 1]" 1
535 1 165 GLY QA 1 166 PHE H . . 2.700 2.738 2.439 2.863 0.163 10 0 "[ . 1]" 1
536 1 166 PHE H 1 167 LYS H 4.500 . 4.500 3.495 2.518 4.635 0.135 10 0 "[ . 1]" 1
537 1 166 PHE HA 1 167 LYS H 2.700 . 2.700 2.488 2.119 2.795 0.095 4 0 "[ . 1]" 1
538 1 167 LYS H 1 169 ALA H 4.500 . 4.500 4.968 4.166 6.777 2.277 10 4 "[*- . * +]" 1
539 1 168 PRO HA 1 169 ALA H 3.500 . 3.500 2.346 2.241 2.472 . 0 0 "[ . 1]" 1
540 1 169 ALA H 1 170 GLY H 4.500 . 4.500 4.184 3.781 4.297 . 0 0 "[ . 1]" 1
541 1 169 ALA H 1 171 VAL H 6.800 . 6.800 6.490 6.337 6.803 0.003 10 0 "[ . 1]" 1
542 1 169 ALA HA 1 170 GLY H 2.500 . 2.500 2.506 2.264 2.583 0.083 4 0 "[ . 1]" 1
543 1 170 GLY H 1 171 VAL H 4.500 . 4.500 4.292 3.940 4.593 0.093 10 0 "[ . 1]" 1
544 1 170 GLY HA2 1 171 VAL H 2.500 . 2.500 2.291 2.237 2.324 . 0 0 "[ . 1]" 1
545 1 170 GLY HA3 1 171 VAL H 3.500 . 3.500 3.158 2.616 3.494 . 0 0 "[ . 1]" 1
546 1 171 VAL H 1 172 LEU H 4.500 . 4.500 4.013 3.769 4.498 . 0 0 "[ . 1]" 1
547 1 171 VAL HA 1 172 LEU H 2.500 . 2.500 2.333 2.244 2.425 . 0 0 "[ . 1]" 1
548 1 172 LEU H 1 173 CYS H 4.500 . 4.500 4.283 3.840 4.611 0.111 6 0 "[ . 1]" 1
549 1 172 LEU HA 1 173 CYS H 3.500 . 3.500 2.301 2.150 2.392 . 0 0 "[ . 1]" 1
550 1 175 LEU QD 1 183 ALA H 6.000 . 6.000 4.560 2.597 5.076 . 0 0 "[ . 1]" 1
551 1 175 LEU QD 1 191 PHE H 6.000 . 6.000 3.944 3.436 4.258 . 0 0 "[ . 1]" 1
552 1 175 LEU QD 1 191 PHE HB2 5.000 . 5.000 3.934 2.887 4.148 . 0 0 "[ . 1]" 1
553 1 175 LEU QD 1 191 PHE HB3 5.000 . 5.000 3.054 2.784 3.747 . 0 0 "[ . 1]" 1
554 1 175 LEU QD 1 191 PHE QD 5.000 . 5.000 2.032 1.851 2.333 . 0 0 "[ . 1]" 1
555 1 175 LEU QD 1 191 PHE QE 5.000 . 5.000 2.381 1.978 2.651 . 0 0 "[ . 1]" 1
556 1 175 LEU QD 1 191 PHE HZ 5.000 . 5.000 4.037 3.961 4.142 . 0 0 "[ . 1]" 1
557 1 175 LEU QD 1 192 ALA H 5.000 . 5.000 3.227 2.382 3.693 . 0 0 "[ . 1]" 1
558 1 176 THR H 1 177 ASN H 4.500 . 4.500 4.324 3.854 4.548 0.048 5 0 "[ . 1]" 1
559 1 176 THR HA 1 177 ASN H 2.500 . 2.500 2.356 2.304 2.405 . 0 0 "[ . 1]" 1
560 1 177 ASN H 1 178 ASP H 4.500 . 4.500 4.545 4.487 4.610 0.110 9 0 "[ . 1]" 1
561 1 177 ASN H 1 179 ASP H 4.500 . 4.500 4.548 4.416 4.664 0.164 4 0 "[ . 1]" 1
562 1 177 ASN H 1 180 GLY H 6.800 . 6.800 4.781 4.199 5.284 . 0 0 "[ . 1]" 1
563 1 177 ASN H 1 181 THR H 6.800 . 6.800 4.270 3.411 5.293 . 0 0 "[ . 1]" 1
564 1 177 ASN H 1 182 MET H 6.800 . 6.800 6.225 3.902 6.929 0.129 2 0 "[ . 1]" 1
565 1 177 ASN H 1 183 ALA H 6.800 . 6.800 4.107 2.326 6.518 . 0 0 "[ . 1]" 1
566 1 177 ASN HA 1 178 ASP H 3.500 . 3.500 2.414 2.245 2.502 . 0 0 "[ . 1]" 1
567 1 178 ASP H 1 179 ASP H 2.800 . 2.800 2.540 2.483 2.643 . 0 0 "[ . 1]" 1
568 1 178 ASP H 1 180 GLY H 4.500 . 4.500 4.514 4.296 4.585 0.085 10 0 "[ . 1]" 1
569 1 178 ASP H 1 181 THR H 6.800 . 6.800 5.614 5.101 6.152 . 0 0 "[ . 1]" 1
570 1 178 ASP HA 1 179 ASP H 2.700 . 2.700 3.173 3.167 3.180 0.480 2 0 "[ . 1]" 1
571 1 179 ASP H 1 180 GLY H 2.800 . 2.800 2.446 2.060 2.672 . 0 0 "[ . 1]" 1
572 1 179 ASP H 1 181 THR H 4.500 . 4.500 3.581 3.211 3.989 . 0 0 "[ . 1]" 1
573 1 180 GLY H 1 181 THR H 2.800 . 2.800 2.357 2.007 2.735 . 0 0 "[ . 1]" 1
574 1 180 GLY HA2 1 181 THR H 3.500 . 3.500 2.982 2.769 3.071 . 0 0 "[ . 1]" 1
575 1 180 GLY HA3 1 181 THR H 3.500 . 3.500 3.501 3.471 3.558 0.058 7 0 "[ . 1]" 1
576 1 181 THR H 1 182 MET H 4.500 . 4.500 4.212 3.881 4.597 0.097 7 0 "[ . 1]" 1
577 1 181 THR HA 1 182 MET H 3.500 . 3.500 2.265 2.208 2.366 . 0 0 "[ . 1]" 1
578 1 182 MET H 1 183 ALA H 4.500 . 4.500 4.103 3.473 4.271 . 0 0 "[ . 1]" 1
579 1 183 ALA H 1 184 ARG H 4.500 . 4.500 4.307 3.352 4.595 0.095 4 0 "[ . 1]" 1
580 1 184 ARG H 1 187 GLU H 6.800 . 6.800 6.490 4.414 6.962 0.162 2 0 "[ . 1]" 1
581 1 187 GLU H 1 188 CYS H 2.800 . 2.800 2.538 2.272 2.819 0.019 5 0 "[ . 1]" 1
582 1 187 GLU H 1 189 ILE H 4.500 . 4.500 4.088 3.546 4.553 0.053 9 0 "[ . 1]" 1
583 1 187 GLU H 1 190 GLU H 6.800 . 6.800 4.472 4.236 4.716 . 0 0 "[ . 1]" 1
584 1 187 GLU HA 1 188 CYS H 3.500 . 3.500 3.539 3.449 3.580 0.080 7 0 "[ . 1]" 1
585 1 188 CYS H 1 189 ILE H 2.800 . 2.800 2.772 2.642 2.861 0.061 3 0 "[ . 1]" 1
586 1 188 CYS H 1 190 GLU H 4.500 . 4.500 3.823 3.558 4.068 . 0 0 "[ . 1]" 1
587 1 189 ILE H 1 190 GLU H 2.800 . 2.800 2.461 2.223 2.633 . 0 0 "[ . 1]" 1
588 1 189 ILE H 1 191 PHE H 4.500 . 4.500 3.969 3.723 4.193 . 0 0 "[ . 1]" 1
589 1 189 ILE H 1 199 LEU QD 6.000 . 6.000 4.302 3.916 4.481 . 0 0 "[ . 1]" 1
590 1 189 ILE HA 1 192 ALA H 5.000 . 5.000 3.226 2.706 3.831 . 0 0 "[ . 1]" 1
591 1 189 ILE HA 1 192 ALA MB 5.000 . 5.000 2.838 2.070 3.506 . 0 0 "[ . 1]" 1
592 1 189 ILE HA 1 199 LEU QD 5.000 . 5.000 3.616 3.178 3.806 . 0 0 "[ . 1]" 1
593 1 189 ILE MD 1 199 LEU QD 5.000 . 5.000 3.145 2.929 3.415 . 0 0 "[ . 1]" 1
594 1 190 GLU H 1 191 PHE H 2.800 . 2.800 2.550 2.379 2.656 . 0 0 "[ . 1]" 1
595 1 190 GLU H 1 192 ALA H 4.500 . 4.500 4.431 3.987 4.628 0.128 9 0 "[ . 1]" 1
596 1 190 GLU H 1 199 LEU QD 6.000 . 6.000 3.286 2.848 3.519 . 0 0 "[ . 1]" 1
597 1 190 GLU HA 1 191 PHE H 3.500 . 3.500 3.481 3.455 3.533 0.033 1 0 "[ . 1]" 1
598 1 190 GLU HA 1 193 ASN H 4.000 . 4.000 3.427 3.075 4.062 0.062 9 0 "[ . 1]" 1
599 1 191 PHE H 1 192 ALA H 2.800 . 2.800 2.588 2.375 2.813 0.013 1 0 "[ . 1]" 1
600 1 191 PHE H 1 193 ASN H 6.800 . 6.800 3.700 3.242 4.161 . 0 0 "[ . 1]" 1
601 1 191 PHE H 1 199 LEU QD 6.000 . 6.000 4.259 3.941 4.505 . 0 0 "[ . 1]" 1
602 1 191 PHE HA 1 192 ALA H 3.500 . 3.500 3.551 3.517 3.571 0.071 8 0 "[ . 1]" 1
603 1 191 PHE HA 1 194 LYS H 4.000 . 4.000 3.533 2.856 4.155 0.155 9 0 "[ . 1]" 1
604 1 192 ALA H 1 193 ASN H 2.800 . 2.800 2.553 2.327 2.721 . 0 0 "[ . 1]" 1
605 1 192 ALA H 1 194 LYS H 4.500 . 4.500 3.894 3.699 4.091 . 0 0 "[ . 1]" 1
606 1 192 ALA H 1 199 LEU QD 6.000 . 6.000 4.448 4.116 4.544 . 0 0 "[ . 1]" 1
607 1 192 ALA HA 1 193 ASN H 3.500 . 3.500 3.513 3.440 3.560 0.060 1 0 "[ . 1]" 1
608 1 193 ASN H 1 194 LYS H 2.800 . 2.800 2.570 2.329 2.674 . 0 0 "[ . 1]" 1
609 1 193 ASN H 1 195 HIS H 4.500 . 4.500 4.544 4.338 4.646 0.146 2 0 "[ . 1]" 1
610 1 193 ASN H 1 199 LEU QD 6.000 . 6.000 3.080 2.623 3.362 . 0 0 "[ . 1]" 1
611 1 193 ASN HA 1 194 LYS H 3.500 . 3.500 3.464 3.397 3.551 0.051 9 0 "[ . 1]" 1
612 1 194 LYS H 1 195 HIS H 2.800 . 2.800 2.661 2.508 2.849 0.049 3 0 "[ . 1]" 1
613 1 194 LYS H 1 196 ASN H 4.500 . 4.500 4.413 3.520 4.692 0.192 1 0 "[ . 1]" 1
614 1 194 LYS HA 1 195 HIS H 3.500 . 3.500 3.568 3.527 3.595 0.095 4 0 "[ . 1]" 1
615 1 194 LYS HA 1 197 MET H 4.000 . 4.000 4.523 4.051 4.756 0.756 7 7 "[ **** +* -]" 1
616 1 195 HIS H 1 196 ASN H 2.800 . 2.800 2.480 2.145 2.774 . 0 0 "[ . 1]" 1
617 1 195 HIS H 1 197 MET H 4.500 . 4.500 3.852 3.573 4.212 . 0 0 "[ . 1]" 1
618 1 195 HIS HA 1 196 ASN H 3.500 . 3.500 3.606 3.498 3.662 0.162 1 0 "[ . 1]" 1
619 1 196 ASN H 1 197 MET H 2.800 . 2.800 2.982 2.850 3.242 0.442 3 0 "[ . 1]" 1
620 1 196 ASN HA 1 197 MET H 3.500 . 3.500 3.078 2.754 3.191 . 0 0 "[ . 1]" 1
621 1 197 MET H 1 198 ALA H 4.500 . 4.500 4.403 3.945 4.537 0.037 2 0 "[ . 1]" 1
622 1 198 ALA H 1 199 LEU H 6.800 . 6.800 4.446 3.866 4.684 . 0 0 "[ . 1]" 1
623 1 198 ALA HA 1 199 LEU H 2.500 . 2.500 2.367 2.279 2.450 . 0 0 "[ . 1]" 1
624 1 200 VAL MG1 1 205 LEU H 6.000 . 6.000 4.550 2.787 5.472 . 0 0 "[ . 1]" 1
625 1 200 VAL MG2 1 205 LEU H 6.000 . 6.000 4.247 3.056 5.106 . 0 0 "[ . 1]" 1
626 1 201 THR H 1 202 ILE H 4.500 . 4.500 4.466 4.102 4.627 0.127 8 0 "[ . 1]" 1
627 1 201 THR HA 1 202 ILE H 2.500 . 2.500 2.371 2.177 2.571 0.071 3 0 "[ . 1]" 1
628 1 204 ASP H 1 205 LEU H 2.800 . 2.800 2.606 2.382 2.882 0.082 4 0 "[ . 1]" 1
629 1 204 ASP H 1 206 VAL H 6.800 . 6.800 4.715 4.212 5.167 . 0 0 "[ . 1]" 1
630 1 205 LEU H 1 206 VAL H 2.800 . 2.800 2.913 2.675 3.238 0.438 10 0 "[ . 1]" 1
631 1 206 VAL H 1 207 ALA H 2.800 . 2.800 2.549 2.307 2.726 . 0 0 "[ . 1]" 1
632 1 206 VAL H 1 208 TYR H 6.800 . 6.800 3.969 3.531 4.321 . 0 0 "[ . 1]" 1
633 1 207 ALA H 1 208 TYR H 2.800 . 2.800 2.508 2.356 2.633 . 0 0 "[ . 1]" 1
634 1 207 ALA H 1 209 ARG H 4.500 . 4.500 4.075 3.826 4.217 . 0 0 "[ . 1]" 1
635 1 207 ALA HA 1 208 TYR H 3.500 . 3.500 3.504 3.427 3.550 0.050 2 0 "[ . 1]" 1
636 1 207 ALA HA 1 210 GLN H 4.000 . 4.000 3.299 2.749 3.951 . 0 0 "[ . 1]" 1
637 1 208 TYR H 1 209 ARG H 2.800 . 2.800 2.571 2.396 2.710 . 0 0 "[ . 1]" 1
638 1 208 TYR H 1 210 GLN H 4.500 . 4.500 4.112 3.710 4.516 0.016 3 0 "[ . 1]" 1
639 1 208 TYR HA 1 209 ARG H 3.500 . 3.500 3.539 3.524 3.568 0.068 8 0 "[ . 1]" 1
640 1 209 ARG H 1 210 GLN H 2.800 . 2.800 2.671 2.313 2.826 0.026 6 0 "[ . 1]" 1
641 1 209 ARG H 1 211 ALA H 4.500 . 4.500 4.250 3.841 4.516 0.016 9 0 "[ . 1]" 1
642 1 210 GLN H 1 211 ALA H 2.800 . 2.800 2.744 2.531 2.840 0.040 3 0 "[ . 1]" 1
643 1 210 GLN H 1 212 HIS H 4.500 . 4.500 3.917 3.624 4.153 . 0 0 "[ . 1]" 1
644 1 210 GLN HA 1 211 ALA H 3.500 . 3.500 3.554 3.534 3.575 0.075 2 0 "[ . 1]" 1
645 1 210 GLN HA 1 213 GLU H 4.000 . 4.000 3.459 3.255 3.732 . 0 0 "[ . 1]" 1
646 1 211 ALA H 1 212 HIS H 2.800 . 2.800 2.681 2.501 2.826 0.026 9 0 "[ . 1]" 1
647 1 211 ALA H 1 213 GLU H 4.500 . 4.500 4.227 4.082 4.498 . 0 0 "[ . 1]" 1
648 1 211 ALA HA 1 212 HIS H 3.500 . 3.500 3.513 3.491 3.533 0.033 5 0 "[ . 1]" 1
649 1 212 HIS H 1 213 GLU H 2.800 . 2.800 2.527 2.320 2.809 0.009 5 0 "[ . 1]" 1
650 1 212 HIS H 1 214 ARG H 6.800 . 6.800 3.861 3.609 4.091 . 0 0 "[ . 1]" 1
651 1 212 HIS HA 1 213 GLU H 3.500 . 3.500 3.518 3.486 3.562 0.062 4 0 "[ . 1]" 1
652 1 213 GLU H 1 214 ARG H 2.800 . 2.800 2.358 2.137 2.534 . 0 0 "[ . 1]" 1
653 1 213 GLU HA 1 214 ARG H 3.500 . 3.500 3.330 3.056 3.420 . 0 0 "[ . 1]" 1
654 1 214 ARG H 1 215 LYS H 6.800 . 6.800 4.552 4.338 4.680 . 0 0 "[ . 1]" 1
655 1 214 ARG HA 1 215 LYS H 3.500 . 3.500 2.263 2.210 2.300 . 0 0 "[ . 1]" 1
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