NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
542462 |
2len   |
17260 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2len
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 1477
_Distance_constraint_stats_list.Viol_count 3445
_Distance_constraint_stats_list.Viol_total 14435.584
_Distance_constraint_stats_list.Viol_max 1.762
_Distance_constraint_stats_list.Viol_rms 0.0956
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0244
_Distance_constraint_stats_list.Viol_average_violations_only 0.2095
_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 GLN 0.226 0.168 17 0 "[ . 1 . 2]"
1 3 LEU 8.131 0.540 11 1 "[ . 1+ . 2]"
1 4 LYS 1.351 0.485 9 0 "[ . 1 . 2]"
1 5 PRO 0.349 0.187 13 0 "[ . 1 . 2]"
1 6 MET 3.250 0.395 12 0 "[ . 1 . 2]"
1 7 GLU 3.913 0.412 4 0 "[ . 1 . 2]"
1 8 ILE 4.905 0.750 10 2 "[ . + .- 2]"
1 9 ASN 8.898 0.882 6 9 "[ *+** - **. ** 2]"
1 10 PRO 3.361 0.477 2 0 "[ . 1 . 2]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 MET 4.770 0.639 4 1 "[ +. 1 . 2]"
1 13 LEU 15.258 0.882 6 11 "[ **+** * **. **-2]"
1 14 ASN 2.067 0.152 9 0 "[ . 1 . 2]"
1 15 LYS 2.465 0.158 12 0 "[ . 1 . 2]"
1 16 VAL 6.816 0.641 1 2 "[+ . *1 . 2]"
1 17 LEU 3.738 0.372 9 0 "[ . 1 . 2]"
1 18 TYR 19.020 0.840 7 8 "[*** .*+* 1 * . -2]"
1 19 ARG 4.048 0.479 16 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLY 4.263 0.677 12 3 "[ . 1-+ . * 2]"
1 22 VAL 30.530 0.840 7 12 "[*** .*+* 1*** .* *-2]"
1 23 ALA 13.522 0.881 9 4 "[ . -+1 * * 2]"
1 24 GLY 7.219 0.858 1 8 "[+ * * * 1 *-* *2]"
1 25 GLN 6.912 0.855 15 4 "[ . -*1* + 2]"
1 26 TRP 18.992 0.763 11 8 "[ **- *1+ * . * *]"
1 27 ARG 1.783 0.397 3 0 "[ . 1 . 2]"
1 28 PHE 9.518 0.505 19 1 "[ . 1 . +2]"
1 29 VAL 1.548 0.234 13 0 "[ . 1 . 2]"
1 30 ASP 0.038 0.020 15 0 "[ . 1 . 2]"
1 31 VAL 21.707 0.894 7 11 "[* **-+ *1** *.* *2]"
1 32 LEU 9.996 0.793 5 8 "[* *+- *1** . *2]"
1 33 GLY 1.032 0.387 8 0 "[ . 1 . 2]"
1 34 LEU 5.429 0.576 1 1 "[+ . 1 . 2]"
1 35 GLU 1.027 0.272 15 0 "[ . 1 . 2]"
1 36 GLU 0.279 0.084 12 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 SER 0.367 0.158 6 0 "[ . 1 . 2]"
1 39 LEU 0.581 0.234 1 0 "[ . 1 . 2]"
1 40 GLY 0.927 0.320 9 0 "[ . 1 . 2]"
1 41 SER 0.560 0.320 9 0 "[ . 1 . 2]"
1 42 VAL 0.472 0.167 18 0 "[ . 1 . 2]"
1 43 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ALA 1.410 0.141 8 0 "[ . 1 . 2]"
1 45 PRO 1.502 0.141 8 0 "[ . 1 . 2]"
1 46 ALA 4.511 0.343 8 0 "[ . 1 . 2]"
1 47 CYS 2.784 0.395 17 0 "[ . 1 . 2]"
1 48 ALA 7.353 0.432 3 0 "[ . 1 . 2]"
1 49 LEU 11.452 0.612 12 1 "[ . 1 + . 2]"
1 50 LEU 4.034 0.894 7 2 "[ . + 1 -. 2]"
1 51 LEU 2.616 0.650 9 1 "[ . +1 . 2]"
1 52 LEU 16.889 0.845 3 14 "[ -+ * **** ***.*** *]"
1 53 PHE 2.628 0.731 5 2 "[ + - 1 . 2]"
1 54 PRO 0.013 0.013 5 0 "[ . 1 . 2]"
1 55 LEU 14.866 0.909 18 7 "[ * * *1 * .- +*2]"
1 56 THR 5.828 0.688 7 4 "[ . + *1 * . - 2]"
1 57 ALA 1.548 0.688 7 1 "[ . + 1 . 2]"
1 58 GLN 17.349 0.809 9 12 "[** * **+-* **. * *2]"
1 59 HIS 0.234 0.233 8 0 "[ . 1 . 2]"
1 60 GLU 3.358 0.287 11 0 "[ . 1 . 2]"
1 61 ASN 7.558 0.963 4 4 "[ +. * 1- * 2]"
1 62 PHE 4.416 0.963 4 4 "[ +. * 1- * 2]"
1 63 ARG 7.409 0.553 1 2 "[+ . 1 . - 2]"
1 64 LYS 3.036 0.534 18 1 "[ . 1 . + 2]"
1 65 LYS 0.259 0.161 18 0 "[ . 1 . 2]"
1 66 GLN 1.681 0.177 17 0 "[ . 1 . 2]"
1 67 ILE 14.976 0.807 14 13 "[** ** * *** +** - *]"
1 68 GLU 6.081 0.676 16 6 "[ -*. * *1 .+ *2]"
1 69 GLU 0.259 0.161 18 0 "[ . 1 . 2]"
1 70 LEU 21.786 0.676 16 6 "[ -*. * *1 .+ *2]"
1 71 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLY 2.511 0.486 5 0 "[ . 1 . 2]"
1 73 GLN 2.635 0.547 20 1 "[ . 1 . +]"
1 74 GLU 2.146 0.547 20 1 "[ . 1 . +]"
1 75 VAL 3.329 0.537 18 1 "[ . 1 . + 2]"
1 76 SER 1.755 0.597 4 1 "[ +. 1 . 2]"
1 77 PRO 0.180 0.180 3 0 "[ . 1 . 2]"
1 78 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 VAL 12.440 0.644 10 4 "[ -** + . 2]"
1 80 TYR 8.547 0.848 14 2 "[ - . 1 +. 2]"
1 81 PHE 6.265 0.748 12 3 "[ . * + . - 2]"
1 82 MET 10.212 0.968 5 2 "[ + 1 * . 2]"
1 83 LYS 5.687 0.485 3 0 "[ . 1 . 2]"
1 85 THR 1.281 0.685 8 1 "[ . + 1 . 2]"
1 86 ILE 32.603 1.762 1 15 "[+* **** *-* **.** **]"
1 87 GLY 1.820 0.685 8 1 "[ . + 1 . 2]"
1 88 ASN 0.309 0.187 13 0 "[ . 1 . 2]"
1 89 SER 0.172 0.122 16 0 "[ . 1 . 2]"
1 90 CYS 0.172 0.122 16 0 "[ . 1 . 2]"
1 91 GLY 0.476 0.476 20 0 "[ . 1 . 2]"
1 92 THR 10.492 0.968 5 4 "[ *+ 1 .-* 2]"
1 93 ILE 17.684 0.974 9 7 "[* * **+- .* 2]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 LEU 6.733 0.411 11 0 "[ . 1 . 2]"
1 96 ILE 17.375 0.946 17 3 "[ -.* 1 . + 2]"
1 97 HIS 0.015 0.015 9 0 "[ . 1 . 2]"
1 98 ALA 9.732 0.374 8 0 "[ . 1 . 2]"
1 99 VAL 14.569 0.775 9 2 "[ . +1 . - 2]"
1 100 ALA 10.857 0.675 5 2 "[ -+ 1 . 2]"
1 101 ASN 5.582 0.272 13 0 "[ . 1 . 2]"
1 102 ASN 9.520 0.775 9 2 "[- . +1 . 2]"
1 103 GLN 13.791 0.675 5 4 "[ -+ **1 . 2]"
1 104 ASP 0.648 0.083 3 0 "[ . 1 . 2]"
1 105 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 LEU 29.030 0.858 1 14 "[+ * **-**1 **** ***]"
1 107 GLY 3.426 0.881 9 2 "[ . +1 - . 2]"
1 108 PHE 3.287 0.834 16 1 "[ . 1 .+ 2]"
1 109 GLU 0.912 0.418 16 0 "[ . 1 . 2]"
1 110 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 SER 6.733 0.922 9 3 "[ * +1 . -]"
1 113 VAL 15.507 0.886 5 6 "[ * + * *1 . *- 2]"
1 114 LEU 13.778 0.922 9 5 "[ - * +1 . * *]"
1 115 LYS 1.685 0.347 17 0 "[ . 1 . 2]"
1 116 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 PHE 19.416 0.646 6 6 "[ * *+* 1 -. *]"
1 118 LEU 32.580 0.920 13 14 "[ **-*****1 *+*.* **]"
1 119 SER 6.992 0.979 5 2 "[ - + 1 . 2]"
1 120 GLU 4.712 0.815 18 2 "[ . 1 .- + 2]"
1 121 THR 16.480 0.974 6 7 "[ * .+ **1 * *.- 2]"
1 122 GLU 23.679 0.979 5 9 "[ ** +* * 1 * .* **]"
1 123 LYS 0.756 0.164 2 0 "[ . 1 . 2]"
1 124 MET 17.303 0.974 6 5 "[ .+ **1 .* * 2]"
1 125 SER 0.830 0.164 17 0 "[ . 1 . 2]"
1 126 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 ARG 6.627 0.675 9 5 "[ .* *+1 * .- 2]"
1 130 ALA 18.919 0.854 2 8 "[*+ ** - *.* *]"
1 131 LYS 4.089 0.288 20 0 "[ . 1 . 2]"
1 132 CYS 3.221 0.770 6 2 "[ .+ * 1 . 2]"
1 133 PHE 13.134 0.738 5 4 "[ * + * 1 . -2]"
1 134 GLU 0.673 0.307 10 0 "[ . 1 . 2]"
1 135 LYS 4.866 0.758 10 3 "[ - . * + . 2]"
1 136 ASN 7.120 0.819 4 7 "[ +* * ** . * -2]"
1 137 GLU 12.368 1.000 4 7 "[ +* 1 - * ** *]"
1 138 ALA 6.215 0.485 7 0 "[ . 1 . 2]"
1 139 ILE 26.252 1.000 4 9 "[ +* * 1 * * *-**]"
1 140 GLN 15.607 1.762 1 8 "[+* .* ** * .* -]"
1 141 ALA 1.740 0.435 9 0 "[ . 1 . 2]"
1 142 ALA 6.044 0.641 1 2 "[+ . *1 . 2]"
1 143 HIS 4.565 0.316 3 0 "[ . 1 . 2]"
1 144 ASP 4.726 0.241 2 0 "[ . 1 . 2]"
1 145 ALA 18.819 0.459 3 0 "[ . 1 . 2]"
1 146 VAL 16.323 0.459 3 0 "[ . 1 . 2]"
1 147 ALA 5.851 0.395 12 0 "[ . 1 . 2]"
1 148 GLN 0.637 0.261 4 0 "[ . 1 . 2]"
1 149 GLU 1.548 0.280 2 0 "[ . 1 . 2]"
1 150 GLY 6.887 0.639 4 1 "[ +. 1 . 2]"
1 151 GLN 6.502 0.851 13 1 "[ . 1 + . 2]"
1 152 CYS 0.244 0.134 20 0 "[ . 1 . 2]"
1 153 ARG 0.337 0.134 20 0 "[ . 1 . 2]"
1 154 VAL 1.656 0.441 19 0 "[ . 1 . 2]"
1 155 ASP 1.667 0.441 19 0 "[ . 1 . 2]"
1 156 ASP 2.377 0.462 4 0 "[ . 1 . 2]"
1 157 LYS 1.265 0.396 4 0 "[ . 1 . 2]"
1 158 VAL 6.634 0.540 12 1 "[ . 1 + . 2]"
1 159 ASN 5.712 0.540 12 1 "[ . 1 + . 2]"
1 160 PHE 2.447 0.400 7 0 "[ . 1 . 2]"
1 161 HIS 11.110 0.909 18 7 "[ * * *1 * .- +*2]"
1 163 ILE 4.199 0.650 9 2 "[ - . +1 . 2]"
1 164 LEU 10.086 0.710 13 5 "[ - * * *1 + . 2]"
1 165 PHE 14.173 0.974 9 8 "[* * * **+-* . 2]"
1 166 ASN 26.988 1.100 7 20 [******+***-*********]
1 167 ASN 13.423 0.867 11 8 "[* *. * **+ * -2]"
1 168 VAL 13.447 0.768 1 3 "[+ .* 1- . 2]"
1 169 ASP 4.601 0.593 4 3 "[ -+* 1 . 2]"
1 170 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 171 HIS 2.547 0.413 9 0 "[ . 1 . 2]"
1 172 LEU 2.611 0.371 20 0 "[ . 1 . 2]"
1 173 TYR 25.062 0.853 9 12 "[** *** +1* * *- **]"
1 174 GLU 5.985 0.567 2 1 "[ + . 1 . 2]"
1 175 LEU 36.151 1.100 7 20 [******+**********-**]
1 176 ASP 8.268 0.844 4 7 "[ **+* * 1 . -*2]"
1 177 GLY 2.121 0.695 9 1 "[ . +1 . 2]"
1 178 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 179 MET 20.160 0.844 4 15 "[***+* * *** *** -**]"
1 181 PHE 0.363 0.193 8 0 "[ . 1 . 2]"
1 183 VAL 3.425 0.569 3 1 "[ + . 1 . 2]"
1 184 ASN 13.709 0.853 9 9 "[** * +1 * ** *-]"
1 185 HIS 4.240 0.480 3 0 "[ . 1 . 2]"
1 186 GLY 1.130 0.134 13 0 "[ . 1 . 2]"
1 187 ALA 2.238 0.265 2 0 "[ . 1 . 2]"
1 188 SER 0.908 0.227 18 0 "[ . 1 . 2]"
1 189 SER 10.772 0.867 11 7 "[* -. * *+ * *2]"
1 190 GLU 1.900 0.704 9 1 "[ . +1 . 2]"
1 191 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 192 THR 8.832 0.754 10 6 "[ *. * + *. - *2]"
1 193 LEU 18.657 0.754 10 8 "[ **. -* + *. * *2]"
1 194 LEU 6.122 0.587 3 2 "[ + . - 1 . 2]"
1 195 LYS 0.497 0.234 1 0 "[ . 1 . 2]"
1 196 ASP 2.558 0.336 5 0 "[ . 1 . 2]"
1 197 ALA 4.650 0.438 19 0 "[ . 1 . 2]"
1 198 ALA 1.166 0.271 20 0 "[ . 1 . 2]"
1 199 LYS 7.101 0.576 1 1 "[+ . 1 . 2]"
1 200 VAL 7.021 0.321 7 0 "[ . 1 . 2]"
1 201 CYS 5.438 0.489 20 0 "[ . 1 . 2]"
1 202 ARG 0.003 0.003 4 0 "[ . 1 . 2]"
1 203 GLU 1.674 0.803 14 2 "[ . 1 +. - 2]"
1 204 PHE 5.579 0.803 14 2 "[ . 1 +. - 2]"
1 205 THR 3.746 0.235 17 0 "[ . 1 . 2]"
1 206 GLU 4.104 0.535 9 1 "[ . +1 . 2]"
1 207 ARG 0.189 0.089 16 0 "[ . 1 . 2]"
1 208 GLU 4.888 0.535 9 1 "[ . +1 . 2]"
1 209 GLN 2.409 0.479 9 0 "[ . 1 . 2]"
1 210 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 211 GLU 1.009 0.401 4 0 "[ . 1 . 2]"
1 212 VAL 3.425 0.475 8 0 "[ . 1 . 2]"
1 213 ARG 2.479 0.475 8 0 "[ . 1 . 2]"
1 214 PHE 14.192 0.845 3 14 "[ -+ * **** ***.*** *]"
1 215 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 216 ALA 2.327 0.578 16 1 "[ . 1 .+ 2]"
1 217 VAL 6.666 0.584 4 2 "[ +. 1 .- 2]"
1 218 ALA 7.306 0.752 16 1 "[ . 1 .+ 2]"
1 219 LEU 4.642 0.390 16 0 "[ . 1 . 2]"
1 220 CYS 4.499 0.595 2 2 "[ + . 1 -. 2]"
1 221 LYS 3.178 0.218 11 0 "[ . 1 . 2]"
1 222 ALA 6.031 0.595 2 2 "[ + . 1 -. 2]"
1 223 ALA 2.480 0.515 13 1 "[ . 1 + . 2]"
1 224 LEU 1.783 0.515 13 1 "[ . 1 + . 2]"
1 225 GLU 1.180 0.429 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLN HA 1 86 ILE MG . . 4.410 3.398 2.249 4.578 0.168 17 0 "[ . 1 . 2]" 1
2 1 3 LEU H 1 3 LEU QD . . 3.960 2.997 1.997 3.935 . 0 0 "[ . 1 . 2]" 1
3 1 3 LEU H 1 3 LEU HG . . 4.520 3.622 2.125 4.576 0.056 10 0 "[ . 1 . 2]" 1
4 1 3 LEU H 1 86 ILE MG . . 3.870 2.959 1.924 3.981 0.111 18 0 "[ . 1 . 2]" 1
5 1 3 LEU H 1 87 GLY H . . 5.500 4.970 3.726 5.955 0.455 1 0 "[ . 1 . 2]" 1
6 1 3 LEU HA 1 3 LEU MD1 . . 4.340 3.022 2.121 3.904 . 0 0 "[ . 1 . 2]" 1
7 1 3 LEU HA 1 3 LEU QD . . 3.150 2.224 1.996 3.105 . 0 0 "[ . 1 . 2]" 1
8 1 3 LEU HA 1 3 LEU MD2 . . 4.340 2.740 2.069 3.853 . 0 0 "[ . 1 . 2]" 1
9 1 3 LEU QD 1 4 LYS H . . 3.930 3.290 2.603 4.209 0.279 12 0 "[ . 1 . 2]" 1
10 1 3 LEU QD 1 86 ILE HB . . 4.660 4.024 2.222 5.200 0.540 11 1 "[ . 1+ . 2]" 1
11 1 3 LEU QD 1 89 SER HA . . 4.780 3.673 2.602 4.660 . 0 0 "[ . 1 . 2]" 1
12 1 3 LEU QD 1 140 GLN H . . 4.760 4.560 4.080 4.919 0.159 11 0 "[ . 1 . 2]" 1
13 1 3 LEU QD 1 140 GLN HA . . 3.200 2.360 2.007 2.820 . 0 0 "[ . 1 . 2]" 1
14 1 3 LEU QD 1 140 GLN QE . . 4.550 3.819 2.348 4.480 . 0 0 "[ . 1 . 2]" 1
15 1 3 LEU QD 1 141 ALA H . . 4.690 4.735 4.411 5.125 0.435 9 0 "[ . 1 . 2]" 1
16 1 3 LEU QD 1 143 HIS H . . 3.990 3.866 3.632 4.157 0.167 9 0 "[ . 1 . 2]" 1
17 1 3 LEU QD 1 144 ASP H . . 4.200 2.854 2.478 3.884 . 0 0 "[ . 1 . 2]" 1
18 1 3 LEU MD1 1 4 LYS H . . 5.230 4.083 2.978 5.090 . 0 0 "[ . 1 . 2]" 1
19 1 3 LEU MD1 1 86 ILE MG . . 3.650 2.973 2.140 3.978 0.328 3 0 "[ . 1 . 2]" 1
20 1 3 LEU MD1 1 143 HIS H . . 5.500 4.336 3.790 5.221 . 0 0 "[ . 1 . 2]" 1
21 1 3 LEU MD1 1 144 ASP H . . 4.950 3.534 2.486 4.950 0.000 4 0 "[ . 1 . 2]" 1
22 1 3 LEU MD2 1 4 LYS H . . 5.230 3.868 2.613 5.047 . 0 0 "[ . 1 . 2]" 1
23 1 3 LEU MD2 1 86 ILE MG . . 3.650 3.046 1.954 3.946 0.296 10 0 "[ . 1 . 2]" 1
24 1 3 LEU MD2 1 143 HIS H . . 5.500 4.745 3.751 5.640 0.140 2 0 "[ . 1 . 2]" 1
25 1 3 LEU MD2 1 144 ASP H . . 4.950 3.743 2.514 5.060 0.110 12 0 "[ . 1 . 2]" 1
26 1 3 LEU HG 1 4 LYS H . . 5.140 4.461 2.313 5.625 0.485 9 0 "[ . 1 . 2]" 1
27 1 4 LYS H 1 144 ASP HA . . 4.700 3.614 2.706 4.880 0.180 9 0 "[ . 1 . 2]" 1
28 1 5 PRO HA 1 6 MET H . . 3.340 2.311 2.133 3.380 0.040 5 0 "[ . 1 . 2]" 1
29 1 5 PRO HA 1 88 ASN H . . 5.380 4.654 2.689 5.567 0.187 13 0 "[ . 1 . 2]" 1
30 1 6 MET HA 1 7 GLU HA . . 4.460 4.510 4.385 4.632 0.172 4 0 "[ . 1 . 2]" 1
31 1 6 MET HA 1 147 ALA MB . . 4.580 4.345 3.543 4.975 0.395 12 0 "[ . 1 . 2]" 1
32 1 7 GLU H 1 12 MET ME . . 4.730 3.954 2.317 5.092 0.362 7 0 "[ . 1 . 2]" 1
33 1 7 GLU HA 1 7 GLU HG2 . . 3.590 3.037 2.469 3.748 0.158 4 0 "[ . 1 . 2]" 1
34 1 7 GLU HA 1 8 ILE H . . 3.470 2.280 2.199 2.435 . 0 0 "[ . 1 . 2]" 1
35 1 7 GLU HA 1 8 ILE HB . . 5.180 4.765 4.550 4.908 . 0 0 "[ . 1 . 2]" 1
36 1 7 GLU HA 1 52 LEU QD . . 4.560 3.171 2.364 4.429 . 0 0 "[ . 1 . 2]" 1
37 1 7 GLU HG2 1 8 ILE H . . 4.330 2.766 2.017 4.669 0.339 4 0 "[ . 1 . 2]" 1
38 1 7 GLU HG2 1 52 LEU MD1 . . 5.910 4.517 2.680 6.322 0.412 4 0 "[ . 1 . 2]" 1
39 1 7 GLU HG2 1 52 LEU MD2 . . 5.910 2.971 2.201 4.335 . 0 0 "[ . 1 . 2]" 1
40 1 8 ILE H 1 8 ILE HB . . 3.280 2.504 2.363 2.755 . 0 0 "[ . 1 . 2]" 1
41 1 8 ILE H 1 8 ILE MG . . 4.020 3.810 3.768 3.850 . 0 0 "[ . 1 . 2]" 1
42 1 8 ILE H 1 9 ASN H . . 5.030 4.377 4.139 4.507 . 0 0 "[ . 1 . 2]" 1
43 1 8 ILE H 1 52 LEU QD . . 4.340 2.158 1.803 3.450 . 0 0 "[ . 1 . 2]" 1
44 1 8 ILE HA 1 13 LEU QD . . 4.650 3.394 2.724 4.261 . 0 0 "[ . 1 . 2]" 1
45 1 8 ILE HB 1 9 ASN H . . 4.500 4.429 4.245 4.499 . 0 0 "[ . 1 . 2]" 1
46 1 8 ILE HB 1 52 LEU HA . . 5.280 4.920 4.475 5.337 0.057 1 0 "[ . 1 . 2]" 1
47 1 8 ILE HB 1 52 LEU QD . . 4.280 2.381 2.058 3.184 . 0 0 "[ . 1 . 2]" 1
48 1 8 ILE MG 1 9 ASN H . . 3.710 3.211 2.924 3.551 . 0 0 "[ . 1 . 2]" 1
49 1 8 ILE MG 1 9 ASN HA . . 4.720 3.611 3.310 3.949 . 0 0 "[ . 1 . 2]" 1
50 1 8 ILE MG 1 13 LEU MD1 . . 3.830 2.784 2.181 3.428 . 0 0 "[ . 1 . 2]" 1
51 1 8 ILE MG 1 13 LEU QD . . 3.260 2.609 2.165 3.029 . 0 0 "[ . 1 . 2]" 1
52 1 8 ILE MG 1 13 LEU MD2 . . 3.830 3.483 2.675 4.166 0.336 6 0 "[ . 1 . 2]" 1
53 1 8 ILE MG 1 52 LEU MD1 . . 4.440 4.032 3.253 4.655 0.215 11 0 "[ . 1 . 2]" 1
54 1 8 ILE MG 1 52 LEU QD . . 3.700 3.498 3.024 4.072 0.372 12 0 "[ . 1 . 2]" 1
55 1 8 ILE MG 1 52 LEU MD2 . . 4.440 3.931 3.563 5.190 0.750 10 1 "[ . + . 2]" 1
56 1 8 ILE MG 1 91 GLY H . . 5.290 4.687 3.635 5.766 0.476 20 0 "[ . 1 . 2]" 1
57 1 8 ILE MG 1 216 ALA H . . 5.500 4.977 3.887 6.078 0.578 16 1 "[ . 1 .+ 2]" 1
58 1 8 ILE MG 1 217 VAL H . . 5.500 4.362 3.423 5.433 . 0 0 "[ . 1 . 2]" 1
59 1 8 ILE MG 1 217 VAL QG . . 3.740 2.513 1.969 3.401 . 0 0 "[ . 1 . 2]" 1
60 1 9 ASN H 1 12 MET H . . 4.930 4.334 4.143 4.587 . 0 0 "[ . 1 . 2]" 1
61 1 9 ASN H 1 13 LEU H . . 5.500 4.151 3.676 4.677 . 0 0 "[ . 1 . 2]" 1
62 1 9 ASN H 1 13 LEU MD1 . . 3.960 3.271 2.403 4.264 0.304 7 0 "[ . 1 . 2]" 1
63 1 9 ASN H 1 13 LEU MD2 . . 3.960 4.335 3.241 4.842 0.882 6 9 "[ *+** - **. ** 2]" 1
64 1 9 ASN HA 1 10 PRO HA . . 4.490 4.367 4.328 4.440 . 0 0 "[ . 1 . 2]" 1
65 1 9 ASN HA 1 11 GLU H . . 5.500 4.429 4.217 4.676 . 0 0 "[ . 1 . 2]" 1
66 1 9 ASN HA 1 13 LEU QD . . 5.440 4.337 3.996 4.724 . 0 0 "[ . 1 . 2]" 1
67 1 9 ASN HA 1 217 VAL QG . . 4.590 3.320 2.475 3.972 . 0 0 "[ . 1 . 2]" 1
68 1 10 PRO HA 1 13 LEU H . . 4.540 3.770 3.591 3.978 . 0 0 "[ . 1 . 2]" 1
69 1 10 PRO HA 1 13 LEU QD . . 3.780 2.708 2.251 3.385 . 0 0 "[ . 1 . 2]" 1
70 1 10 PRO HA 1 28 PHE H . . 5.500 5.271 4.572 5.836 0.336 8 0 "[ . 1 . 2]" 1
71 1 10 PRO HA 1 28 PHE QD . . 4.690 3.907 3.672 4.475 . 0 0 "[ . 1 . 2]" 1
72 1 10 PRO HB2 1 11 GLU H . . 4.250 3.261 2.844 3.574 . 0 0 "[ . 1 . 2]" 1
73 1 10 PRO HB2 1 13 LEU QD . . 5.000 4.970 4.584 5.477 0.477 2 0 "[ . 1 . 2]" 1
74 1 11 GLU H 1 12 MET H . . 4.780 2.877 2.797 2.973 . 0 0 "[ . 1 . 2]" 1
75 1 11 GLU HA 1 14 ASN H . . 4.140 3.754 3.522 3.976 . 0 0 "[ . 1 . 2]" 1
76 1 12 MET H 1 13 LEU H . . 5.080 2.795 2.705 2.877 . 0 0 "[ . 1 . 2]" 1
77 1 12 MET H 1 13 LEU QD . . 5.440 4.467 3.793 4.938 . 0 0 "[ . 1 . 2]" 1
78 1 12 MET HA 1 16 VAL QG . . 4.370 4.013 3.777 4.465 0.095 20 0 "[ . 1 . 2]" 1
79 1 12 MET HA 1 146 VAL QG . . 3.880 3.465 2.774 3.924 0.044 7 0 "[ . 1 . 2]" 1
80 1 12 MET ME 1 146 VAL QG . . 3.320 2.954 2.193 3.576 0.256 10 0 "[ . 1 . 2]" 1
81 1 12 MET ME 1 147 ALA H . . 4.580 4.027 3.568 4.378 . 0 0 "[ . 1 . 2]" 1
82 1 12 MET ME 1 147 ALA HA . . 3.900 2.206 1.982 2.485 . 0 0 "[ . 1 . 2]" 1
83 1 12 MET ME 1 147 ALA MB . . 4.000 3.265 2.693 3.843 . 0 0 "[ . 1 . 2]" 1
84 1 12 MET ME 1 150 GLY H . . 3.480 3.369 2.739 4.119 0.639 4 1 "[ +. 1 . 2]" 1
85 1 12 MET ME 1 151 GLN H . . 4.200 3.544 2.747 4.446 0.246 5 0 "[ . 1 . 2]" 1
86 1 13 LEU H 1 13 LEU MD1 . . 4.040 2.986 2.058 3.530 . 0 0 "[ . 1 . 2]" 1
87 1 13 LEU H 1 13 LEU QD . . 3.350 2.767 2.046 3.144 . 0 0 "[ . 1 . 2]" 1
88 1 13 LEU H 1 13 LEU MD2 . . 4.040 3.597 3.121 3.858 . 0 0 "[ . 1 . 2]" 1
89 1 13 LEU H 1 14 ASN H . . 4.660 2.810 2.725 2.902 . 0 0 "[ . 1 . 2]" 1
90 1 13 LEU H 1 95 LEU QD . . 5.070 4.634 4.345 4.983 . 0 0 "[ . 1 . 2]" 1
91 1 13 LEU HA 1 13 LEU QD . . 3.130 2.316 2.138 2.641 . 0 0 "[ . 1 . 2]" 1
92 1 13 LEU HA 1 16 VAL QG . . 3.680 2.973 2.316 3.703 0.023 5 0 "[ . 1 . 2]" 1
93 1 13 LEU HA 1 17 LEU H . . 4.450 4.226 3.972 4.499 0.049 5 0 "[ . 1 . 2]" 1
94 1 13 LEU HA 1 95 LEU HG . . 4.740 4.079 3.546 4.652 . 0 0 "[ . 1 . 2]" 1
95 1 13 LEU QD 1 14 ASN H . . 4.200 3.978 3.799 4.245 0.045 20 0 "[ . 1 . 2]" 1
96 1 13 LEU QD 1 28 PHE QD . . 4.170 3.186 2.293 4.675 0.505 19 1 "[ . 1 . +2]" 1
97 1 13 LEU QD 1 91 GLY H . . 5.150 4.001 3.214 4.601 . 0 0 "[ . 1 . 2]" 1
98 1 13 LEU QD 1 94 GLY H . . 4.910 4.176 3.743 4.676 . 0 0 "[ . 1 . 2]" 1
99 1 13 LEU QD 1 95 LEU H . . 4.540 3.659 3.157 4.247 . 0 0 "[ . 1 . 2]" 1
100 1 13 LEU QD 1 95 LEU QD . . 2.940 2.521 2.082 3.189 0.249 4 0 "[ . 1 . 2]" 1
101 1 13 LEU QD 1 95 LEU HG . . 3.500 2.771 2.220 3.606 0.106 19 0 "[ . 1 . 2]" 1
102 1 13 LEU QD 1 217 VAL HB . . 4.510 3.798 3.141 5.094 0.584 4 1 "[ +. 1 . 2]" 1
103 1 13 LEU QD 1 217 VAL QG . . 3.300 2.388 2.012 2.989 . 0 0 "[ . 1 . 2]" 1
104 1 13 LEU MD1 1 14 ASN H . . 4.860 4.305 4.152 4.643 . 0 0 "[ . 1 . 2]" 1
105 1 13 LEU MD2 1 14 ASN H . . 4.860 4.683 4.384 4.914 0.054 20 0 "[ . 1 . 2]" 1
106 1 13 LEU HG 1 95 LEU QD . . 4.650 3.656 2.392 4.437 . 0 0 "[ . 1 . 2]" 1
107 1 14 ASN H 1 15 LYS H . . 4.000 2.853 2.710 2.982 . 0 0 "[ . 1 . 2]" 1
108 1 14 ASN H 1 15 LYS HA . . 5.410 5.488 5.346 5.562 0.152 9 0 "[ . 1 . 2]" 1
109 1 14 ASN H 1 28 PHE H . . 5.500 5.324 4.918 5.637 0.137 8 0 "[ . 1 . 2]" 1
110 1 15 LYS H 1 16 VAL H . . 4.130 2.913 2.797 3.125 . 0 0 "[ . 1 . 2]" 1
111 1 15 LYS H 1 16 VAL HA . . 5.500 5.530 5.446 5.658 0.158 12 0 "[ . 1 . 2]" 1
112 1 15 LYS H 1 17 LEU H . . 4.510 4.357 4.229 4.509 . 0 0 "[ . 1 . 2]" 1
113 1 15 LYS HA 1 17 LEU H . . 4.760 4.566 4.351 4.806 0.046 7 0 "[ . 1 . 2]" 1
114 1 15 LYS HA 1 146 VAL QG . . 4.290 4.161 3.782 4.320 0.030 1 0 "[ . 1 . 2]" 1
115 1 16 VAL H 1 16 VAL QG . . 3.150 2.177 1.921 2.313 . 0 0 "[ . 1 . 2]" 1
116 1 16 VAL H 1 17 LEU H . . 3.970 2.856 2.774 2.942 . 0 0 "[ . 1 . 2]" 1
117 1 16 VAL H 1 146 VAL QG . . 3.470 3.088 2.654 3.478 0.008 7 0 "[ . 1 . 2]" 1
118 1 16 VAL HA 1 16 VAL QG . . 3.320 2.169 2.107 2.276 . 0 0 "[ . 1 . 2]" 1
119 1 16 VAL HA 1 19 ARG H . . 3.750 3.496 3.059 3.822 0.072 16 0 "[ . 1 . 2]" 1
120 1 16 VAL HA 1 19 ARG HA . . 5.230 5.303 4.751 5.709 0.479 16 0 "[ . 1 . 2]" 1
121 1 16 VAL HA 1 95 LEU QD . . 5.220 4.476 4.231 4.894 . 0 0 "[ . 1 . 2]" 1
122 1 16 VAL HA 1 142 ALA MB . . 4.760 4.361 3.615 5.260 0.500 1 1 "[+ . 1 . 2]" 1
123 1 16 VAL HB 1 17 LEU H . . 3.910 2.864 2.417 3.985 0.075 20 0 "[ . 1 . 2]" 1
124 1 16 VAL QG 1 17 LEU H . . 3.540 3.046 2.182 3.290 . 0 0 "[ . 1 . 2]" 1
125 1 16 VAL QG 1 142 ALA MB . . 3.520 3.363 2.582 4.161 0.641 1 2 "[+ . -1 . 2]" 1
126 1 17 LEU H 1 18 TYR H . . 4.370 2.953 2.785 3.126 . 0 0 "[ . 1 . 2]" 1
127 1 17 LEU H 1 19 ARG H . . 4.250 4.191 3.968 4.414 0.164 17 0 "[ . 1 . 2]" 1
128 1 17 LEU H 1 95 LEU QD . . 3.960 3.260 2.837 3.717 . 0 0 "[ . 1 . 2]" 1
129 1 17 LEU HA 1 17 LEU QD . . 3.590 2.176 1.947 2.943 . 0 0 "[ . 1 . 2]" 1
130 1 17 LEU HA 1 17 LEU HG . . 3.460 2.991 2.315 3.742 0.282 17 0 "[ . 1 . 2]" 1
131 1 17 LEU HA 1 18 TYR HA . . 5.080 4.743 4.682 4.811 . 0 0 "[ . 1 . 2]" 1
132 1 17 LEU HA 1 22 VAL QG . . 3.400 3.320 2.689 3.772 0.372 9 0 "[ . 1 . 2]" 1
133 1 17 LEU HA 1 95 LEU QD . . 4.020 3.573 2.836 4.226 0.206 6 0 "[ . 1 . 2]" 1
134 1 17 LEU QD 1 95 LEU HA . . 4.250 3.629 3.015 4.435 0.185 14 0 "[ . 1 . 2]" 1
135 1 18 TYR H 1 18 TYR QD . . 4.040 3.222 3.033 3.385 . 0 0 "[ . 1 . 2]" 1
136 1 18 TYR H 1 18 TYR QE . . 5.040 4.830 4.544 5.255 0.215 9 0 "[ . 1 . 2]" 1
137 1 18 TYR H 1 19 ARG H . . 3.660 2.785 2.716 2.885 . 0 0 "[ . 1 . 2]" 1
138 1 18 TYR HA 1 18 TYR QD . . 3.360 2.245 2.145 2.447 . 0 0 "[ . 1 . 2]" 1
139 1 18 TYR HA 1 18 TYR QE . . 4.330 4.386 4.298 4.509 0.179 18 0 "[ . 1 . 2]" 1
140 1 18 TYR HA 1 19 ARG HA . . 5.460 4.864 4.808 4.993 . 0 0 "[ . 1 . 2]" 1
141 1 18 TYR QD 1 19 ARG H . . 4.740 4.727 4.574 4.908 0.168 16 0 "[ . 1 . 2]" 1
142 1 18 TYR QD 1 22 VAL H . . 3.990 4.184 3.478 4.830 0.840 7 5 "[* * . +* 1 . -2]" 1
143 1 18 TYR QD 1 22 VAL HA . . 5.500 5.765 5.230 6.157 0.657 7 4 "[ - .*+* 1 . 2]" 1
144 1 18 TYR QD 1 22 VAL HB . . 4.500 4.691 3.784 5.325 0.825 3 5 "[* + . ** 1 - . 2]" 1
145 1 18 TYR QE 1 24 GLY H . . 4.930 3.733 2.996 4.661 . 0 0 "[ . 1 . 2]" 1
146 1 20 LEU H 1 20 LEU QD . . 3.300 2.862 2.241 3.286 . 0 0 "[ . 1 . 2]" 1
147 1 20 LEU HA 1 20 LEU QD . . 3.500 2.286 2.010 3.496 . 0 0 "[ . 1 . 2]" 1
148 1 21 GLY H 1 22 VAL QG . . 3.790 3.999 3.756 4.467 0.677 12 3 "[ . 1-+ . * 2]" 1
149 1 22 VAL H 1 22 VAL HB . . 3.240 2.479 2.338 2.600 . 0 0 "[ . 1 . 2]" 1
150 1 22 VAL H 1 22 VAL QG . . 3.050 2.226 2.015 2.483 . 0 0 "[ . 1 . 2]" 1
151 1 22 VAL HA 1 22 VAL QG . . 2.830 2.178 2.132 2.283 . 0 0 "[ . 1 . 2]" 1
152 1 22 VAL HA 1 23 ALA MB . . 4.120 3.988 3.900 4.106 . 0 0 "[ . 1 . 2]" 1
153 1 22 VAL HA 1 108 PHE HA . . 4.300 3.435 2.511 4.671 0.371 16 0 "[ . 1 . 2]" 1
154 1 22 VAL HB 1 23 ALA H . . 4.530 3.955 3.781 4.113 . 0 0 "[ . 1 . 2]" 1
155 1 22 VAL QG 1 23 ALA H . . 3.520 2.232 2.128 2.420 . 0 0 "[ . 1 . 2]" 1
156 1 22 VAL QG 1 23 ALA HA . . 4.530 4.036 3.805 4.167 . 0 0 "[ . 1 . 2]" 1
157 1 22 VAL QG 1 23 ALA MB . . 2.920 3.167 3.053 3.351 0.431 5 0 "[ . 1 . 2]" 1
158 1 22 VAL QG 1 24 GLY H . . 5.180 2.904 1.782 5.177 . 0 0 "[ . 1 . 2]" 1
159 1 22 VAL QG 1 108 PHE H . . 4.940 4.001 3.338 4.777 . 0 0 "[ . 1 . 2]" 1
160 1 22 VAL QG 1 108 PHE HA . . 4.060 3.988 3.287 4.894 0.834 16 1 "[ . 1 .+ 2]" 1
161 1 22 VAL QG 1 108 PHE QD . . 3.650 2.414 2.101 3.212 . 0 0 "[ . 1 . 2]" 1
162 1 23 ALA H 1 23 ALA MB . . 3.630 2.171 2.117 2.200 . 0 0 "[ . 1 . 2]" 1
163 1 23 ALA H 1 108 PHE HA . . 4.210 3.226 2.822 4.312 0.102 16 0 "[ . 1 . 2]" 1
164 1 23 ALA H 1 108 PHE QD . . 5.120 4.232 3.194 5.059 . 0 0 "[ . 1 . 2]" 1
165 1 23 ALA H 1 109 GLU H . . 5.450 5.098 4.547 5.868 0.418 16 0 "[ . 1 . 2]" 1
166 1 23 ALA HA 1 25 GLN H . . 4.760 4.560 4.126 4.949 0.189 9 0 "[ . 1 . 2]" 1
167 1 23 ALA MB 1 24 GLY H . . 3.490 3.025 2.616 3.389 . 0 0 "[ . 1 . 2]" 1
168 1 23 ALA MB 1 25 GLN HE21 . . 4.830 3.411 2.339 5.141 0.311 8 0 "[ . 1 . 2]" 1
169 1 23 ALA MB 1 25 GLN QE . . 4.010 3.291 2.312 4.547 0.537 8 1 "[ . + 1 . 2]" 1
170 1 23 ALA MB 1 25 GLN HE22 . . 4.830 4.497 3.629 5.685 0.855 15 2 "[ . -1 + 2]" 1
171 1 23 ALA MB 1 107 GLY H . . 4.090 3.495 2.293 4.971 0.881 9 2 "[ . +1 - . 2]" 1
172 1 23 ALA MB 1 107 GLY HA2 . . 4.790 4.596 4.086 5.095 0.305 16 0 "[ . 1 . 2]" 1
173 1 23 ALA MB 1 108 PHE H . . 4.760 3.996 3.080 4.777 0.017 16 0 "[ . 1 . 2]" 1
174 1 23 ALA MB 1 108 PHE HA . . 4.220 3.145 2.224 4.033 . 0 0 "[ . 1 . 2]" 1
175 1 24 GLY H 1 25 GLN H . . 4.310 2.805 2.512 3.736 . 0 0 "[ . 1 . 2]" 1
176 1 24 GLY H 1 26 TRP H . . 5.500 4.368 3.468 5.621 0.121 15 0 "[ . 1 . 2]" 1
177 1 24 GLY H 1 106 LEU QD . . 5.440 5.719 5.065 6.298 0.858 1 8 "[+ * * * 1 *-* *2]" 1
178 1 25 GLN H 1 25 GLN HB2 . . 3.520 2.541 2.354 2.798 . 0 0 "[ . 1 . 2]" 1
179 1 25 GLN H 1 26 TRP H . . 3.950 2.752 1.999 3.006 . 0 0 "[ . 1 . 2]" 1
180 1 25 GLN HA 1 26 TRP H . . 3.550 3.438 3.334 3.517 . 0 0 "[ . 1 . 2]" 1
181 1 25 GLN HB2 1 26 TRP H . . 3.750 3.165 2.820 3.630 . 0 0 "[ . 1 . 2]" 1
182 1 25 GLN HB2 1 26 TRP HE1 . . 4.430 3.167 2.812 3.556 . 0 0 "[ . 1 . 2]" 1
183 1 25 GLN QE 1 26 TRP H . . 5.260 5.165 4.573 6.023 0.763 11 2 "[ . -1+ . 2]" 1
184 1 26 TRP H 1 26 TRP HD1 . . 4.090 2.771 2.516 3.123 . 0 0 "[ . 1 . 2]" 1
185 1 26 TRP H 1 26 TRP HE1 . . 4.940 5.039 4.698 5.486 0.546 9 1 "[ . +1 . 2]" 1
186 1 26 TRP H 1 27 ARG H . . 4.620 4.344 4.171 4.477 . 0 0 "[ . 1 . 2]" 1
187 1 26 TRP H 1 106 LEU QD . . 4.640 4.983 4.340 5.338 0.698 5 6 "[ +** 1 - . * *]" 1
188 1 26 TRP H 1 106 LEU HG . . 5.160 5.272 4.574 5.684 0.524 20 2 "[ . - 1 . +]" 1
189 1 26 TRP H 1 219 LEU QD . . 5.430 4.815 4.310 5.130 . 0 0 "[ . 1 . 2]" 1
190 1 26 TRP HA 1 221 LYS HA . . 4.250 2.615 2.392 2.945 . 0 0 "[ . 1 . 2]" 1
191 1 26 TRP HA 1 222 ALA H . . 3.980 2.993 2.567 3.429 . 0 0 "[ . 1 . 2]" 1
192 1 26 TRP HE1 1 105 LYS HA . . 5.500 5.143 4.246 5.454 . 0 0 "[ . 1 . 2]" 1
193 1 26 TRP HE1 1 106 LEU HA . . 4.050 2.649 2.161 3.327 . 0 0 "[ . 1 . 2]" 1
194 1 26 TRP HE1 1 106 LEU MD1 . . 4.450 2.582 2.326 2.899 . 0 0 "[ . 1 . 2]" 1
195 1 26 TRP HE1 1 106 LEU QD . . 3.890 2.559 2.319 2.857 . 0 0 "[ . 1 . 2]" 1
196 1 26 TRP HE1 1 106 LEU MD2 . . 4.450 4.240 3.778 5.018 0.568 9 1 "[ . +1 . 2]" 1
197 1 26 TRP HE1 1 107 GLY H . . 5.500 4.556 3.580 5.646 0.146 12 0 "[ . 1 . 2]" 1
198 1 26 TRP HH2 1 46 ALA HA . . 4.630 4.613 4.093 4.854 0.224 4 0 "[ . 1 . 2]" 1
199 1 26 TRP HH2 1 221 LYS H . . 4.980 4.440 3.855 4.851 . 0 0 "[ . 1 . 2]" 1
200 1 26 TRP HH2 1 221 LYS HA . . 5.500 5.347 5.076 5.649 0.149 13 0 "[ . 1 . 2]" 1
201 1 26 TRP HH2 1 221 LYS HB2 . . 5.500 3.218 3.005 3.494 . 0 0 "[ . 1 . 2]" 1
202 1 26 TRP HZ2 1 105 LYS HB2 . . 4.850 2.325 2.169 2.755 . 0 0 "[ . 1 . 2]" 1
203 1 26 TRP HZ2 1 106 LEU QD . . 4.770 3.140 2.783 3.708 . 0 0 "[ . 1 . 2]" 1
204 1 26 TRP HZ2 1 221 LYS HG2 . . 5.350 5.202 5.011 5.420 0.070 10 0 "[ . 1 . 2]" 1
205 1 27 ARG H 1 28 PHE H . . 5.130 4.394 4.059 4.563 . 0 0 "[ . 1 . 2]" 1
206 1 27 ARG H 1 28 PHE HA . . 5.030 5.070 4.910 5.427 0.397 3 0 "[ . 1 . 2]" 1
207 1 27 ARG H 1 219 LEU QD . . 4.180 2.952 2.657 3.255 . 0 0 "[ . 1 . 2]" 1
208 1 27 ARG H 1 220 CYS HA . . 5.500 5.228 5.017 5.455 . 0 0 "[ . 1 . 2]" 1
209 1 27 ARG H 1 221 LYS HA . . 4.270 4.052 3.622 4.483 0.213 1 0 "[ . 1 . 2]" 1
210 1 27 ARG H 1 222 ALA H . . 4.250 3.506 2.906 4.167 . 0 0 "[ . 1 . 2]" 1
211 1 27 ARG HA 1 27 ARG HD2 . . 4.910 4.221 2.223 4.787 . 0 0 "[ . 1 . 2]" 1
212 1 27 ARG HA 1 219 LEU QD . . 4.450 3.447 2.974 4.054 . 0 0 "[ . 1 . 2]" 1
213 1 28 PHE H 1 28 PHE QD . . 4.230 2.420 2.116 2.877 . 0 0 "[ . 1 . 2]" 1
214 1 28 PHE H 1 29 VAL H . . 5.230 4.456 4.242 4.639 . 0 0 "[ . 1 . 2]" 1
215 1 28 PHE H 1 29 VAL QG . . 5.260 4.489 3.381 5.401 0.141 16 0 "[ . 1 . 2]" 1
216 1 28 PHE H 1 217 VAL QG . . 5.500 4.999 4.380 5.573 0.073 13 0 "[ . 1 . 2]" 1
217 1 28 PHE H 1 219 LEU QD . . 4.600 3.604 3.108 4.484 . 0 0 "[ . 1 . 2]" 1
218 1 28 PHE HA 1 29 VAL QG . . 3.710 3.649 3.376 3.944 0.234 13 0 "[ . 1 . 2]" 1
219 1 28 PHE HA 1 217 VAL HA . . 5.500 5.475 5.256 5.824 0.324 9 0 "[ . 1 . 2]" 1
220 1 28 PHE HA 1 217 VAL HB . . 5.500 4.752 3.538 5.764 0.264 6 0 "[ . 1 . 2]" 1
221 1 28 PHE HA 1 217 VAL QG . . 4.750 3.368 2.614 4.272 . 0 0 "[ . 1 . 2]" 1
222 1 28 PHE HA 1 219 LEU HA . . 4.470 2.845 2.608 3.151 . 0 0 "[ . 1 . 2]" 1
223 1 28 PHE HA 1 219 LEU QD . . 3.860 3.134 2.779 3.546 . 0 0 "[ . 1 . 2]" 1
224 1 28 PHE QD 1 217 VAL QG . . 3.490 2.783 2.091 3.802 0.312 13 0 "[ . 1 . 2]" 1
225 1 29 VAL H 1 29 VAL QG . . 3.540 2.394 2.184 2.644 . 0 0 "[ . 1 . 2]" 1
226 1 29 VAL H 1 217 VAL HA . . 5.030 4.355 4.046 4.641 . 0 0 "[ . 1 . 2]" 1
227 1 29 VAL H 1 219 LEU H . . 5.260 5.090 4.861 5.374 0.114 7 0 "[ . 1 . 2]" 1
228 1 29 VAL H 1 219 LEU QD . . 5.190 4.731 4.471 5.130 . 0 0 "[ . 1 . 2]" 1
229 1 29 VAL HA 1 30 ASP H . . 3.520 2.489 2.312 2.613 . 0 0 "[ . 1 . 2]" 1
230 1 29 VAL HB 1 30 ASP H . . 4.020 3.026 2.130 4.039 0.019 20 0 "[ . 1 . 2]" 1
231 1 29 VAL QG 1 30 ASP H . . 3.340 2.630 1.838 3.213 . 0 0 "[ . 1 . 2]" 1
232 1 29 VAL QG 1 30 ASP HA . . 4.750 4.144 3.806 4.472 . 0 0 "[ . 1 . 2]" 1
233 1 29 VAL QG 1 219 LEU HA . . 4.620 4.280 3.901 4.723 0.103 2 0 "[ . 1 . 2]" 1
234 1 30 ASP H 1 31 VAL H . . 4.900 4.659 4.434 4.729 . 0 0 "[ . 1 . 2]" 1
235 1 30 ASP HA 1 31 VAL H . . 3.560 2.259 2.121 2.402 . 0 0 "[ . 1 . 2]" 1
236 1 30 ASP HA 1 31 VAL QG . . 3.830 3.650 3.409 3.850 0.020 15 0 "[ . 1 . 2]" 1
237 1 30 ASP HA 1 217 VAL QG . . 4.950 3.880 3.246 4.446 . 0 0 "[ . 1 . 2]" 1
238 1 30 ASP HA 1 218 ALA H . . 4.520 3.776 3.284 4.041 . 0 0 "[ . 1 . 2]" 1
239 1 31 VAL H 1 31 VAL HB . . 3.650 2.874 2.508 3.722 0.072 8 0 "[ . 1 . 2]" 1
240 1 31 VAL H 1 31 VAL QG . . 3.360 2.123 1.939 2.401 . 0 0 "[ . 1 . 2]" 1
241 1 31 VAL H 1 32 LEU H . . 5.010 4.261 2.679 4.652 . 0 0 "[ . 1 . 2]" 1
242 1 31 VAL H 1 217 VAL H . . 5.500 5.271 4.558 6.084 0.584 16 1 "[ . 1 .+ 2]" 1
243 1 31 VAL H 1 217 VAL HA . . 4.280 3.763 2.822 4.301 0.021 14 0 "[ . 1 . 2]" 1
244 1 31 VAL H 1 218 ALA H . . 4.580 4.063 3.488 4.516 . 0 0 "[ . 1 . 2]" 1
245 1 31 VAL HA 1 31 VAL QG . . 3.270 2.245 2.077 2.363 . 0 0 "[ . 1 . 2]" 1
246 1 31 VAL HA 1 32 LEU H . . 3.450 2.219 2.091 3.481 0.031 10 0 "[ . 1 . 2]" 1
247 1 31 VAL HA 1 32 LEU QD . . 3.650 3.852 2.834 4.443 0.793 5 8 "[* *+- *1** . *2]" 1
248 1 31 VAL HA 1 33 GLY H . . 4.410 3.494 3.063 4.148 . 0 0 "[ . 1 . 2]" 1
249 1 31 VAL HA 1 218 ALA MB . . 4.140 2.571 2.021 3.092 . 0 0 "[ . 1 . 2]" 1
250 1 31 VAL HB 1 218 ALA H . . 5.500 4.744 3.299 5.883 0.383 12 0 "[ . 1 . 2]" 1
251 1 31 VAL HB 1 218 ALA MB . . 4.150 3.269 2.075 4.902 0.752 16 1 "[ . 1 .+ 2]" 1
252 1 31 VAL QG 1 32 LEU H . . 3.420 3.067 2.372 3.626 0.206 8 0 "[ . 1 . 2]" 1
253 1 31 VAL QG 1 33 GLY H . . 3.310 2.439 1.790 3.697 0.387 8 0 "[ . 1 . 2]" 1
254 1 31 VAL QG 1 49 LEU HA . . 4.730 4.033 3.262 4.838 0.108 20 0 "[ . 1 . 2]" 1
255 1 31 VAL QG 1 49 LEU HB2 . . 4.290 4.368 3.965 4.694 0.404 5 0 "[ . 1 . 2]" 1
256 1 31 VAL QG 1 49 LEU QD . . 2.400 1.925 1.766 2.310 . 0 0 "[ . 1 . 2]" 1
257 1 31 VAL QG 1 49 LEU HG . . 4.060 3.195 2.197 4.212 0.152 9 0 "[ . 1 . 2]" 1
258 1 31 VAL QG 1 50 LEU H . . 4.400 4.176 3.151 5.294 0.894 7 2 "[ . + 1 -. 2]" 1
259 1 31 VAL QG 1 217 VAL HA . . 4.960 3.447 2.570 4.750 . 0 0 "[ . 1 . 2]" 1
260 1 31 VAL QG 1 218 ALA H . . 4.410 3.605 2.761 4.552 0.142 13 0 "[ . 1 . 2]" 1
261 1 31 VAL QG 1 218 ALA MB . . 2.810 2.528 2.136 3.055 0.245 13 0 "[ . 1 . 2]" 1
262 1 32 LEU H 1 32 LEU MD1 . . 4.320 3.490 2.384 4.069 . 0 0 "[ . 1 . 2]" 1
263 1 32 LEU H 1 32 LEU QD . . 3.380 2.874 2.127 3.670 0.290 10 0 "[ . 1 . 2]" 1
264 1 32 LEU H 1 32 LEU MD2 . . 4.320 3.463 2.164 4.476 0.156 3 0 "[ . 1 . 2]" 1
265 1 32 LEU H 1 32 LEU HG . . 3.890 3.097 2.165 4.305 0.415 15 0 "[ . 1 . 2]" 1
266 1 32 LEU H 1 33 GLY H . . 3.830 2.527 2.245 3.117 . 0 0 "[ . 1 . 2]" 1
267 1 32 LEU H 1 34 LEU H . . 5.010 4.910 4.590 5.133 0.123 11 0 "[ . 1 . 2]" 1
268 1 32 LEU HA 1 32 LEU MD1 . . 4.160 3.466 2.134 3.865 . 0 0 "[ . 1 . 2]" 1
269 1 32 LEU HA 1 32 LEU MD2 . . 4.160 2.830 2.165 4.099 . 0 0 "[ . 1 . 2]" 1
270 1 33 GLY H 1 34 LEU H . . 4.420 2.974 2.825 3.318 . 0 0 "[ . 1 . 2]" 1
271 1 33 GLY H 1 194 LEU QD . . 3.440 3.174 2.689 3.593 0.153 7 0 "[ . 1 . 2]" 1
272 1 33 GLY H 1 218 ALA MB . . 5.330 4.892 4.136 5.441 0.111 20 0 "[ . 1 . 2]" 1
273 1 34 LEU H 1 34 LEU QD . . 3.910 2.781 1.807 3.723 . 0 0 "[ . 1 . 2]" 1
274 1 34 LEU H 1 34 LEU HG . . 3.910 3.006 2.053 4.199 0.289 14 0 "[ . 1 . 2]" 1
275 1 34 LEU H 1 35 GLU H . . 3.630 2.593 2.418 2.725 . 0 0 "[ . 1 . 2]" 1
276 1 34 LEU HA 1 34 LEU QD . . 3.370 2.410 2.050 3.463 0.093 1 0 "[ . 1 . 2]" 1
277 1 34 LEU HA 1 198 ALA MB . . 4.240 2.948 2.203 3.554 . 0 0 "[ . 1 . 2]" 1
278 1 34 LEU QD 1 35 GLU H . . 4.260 4.156 3.618 4.532 0.272 15 0 "[ . 1 . 2]" 1
279 1 34 LEU QD 1 198 ALA HA . . 3.970 3.585 2.899 4.046 0.076 14 0 "[ . 1 . 2]" 1
280 1 34 LEU QD 1 198 ALA MB . . 2.690 2.233 1.974 2.866 0.176 14 0 "[ . 1 . 2]" 1
281 1 34 LEU QD 1 199 LYS H . . 4.460 4.165 2.970 5.036 0.576 1 1 "[+ . 1 . 2]" 1
282 1 35 GLU H 1 36 GLU H . . 4.610 4.476 4.222 4.673 0.063 5 0 "[ . 1 . 2]" 1
283 1 35 GLU H 1 38 SER H . . 4.980 4.574 4.089 4.865 . 0 0 "[ . 1 . 2]" 1
284 1 35 GLU HA 1 36 GLU H . . 3.520 2.178 2.119 2.285 . 0 0 "[ . 1 . 2]" 1
285 1 36 GLU H 1 36 GLU HG2 . . 4.540 4.024 2.201 4.567 0.027 1 0 "[ . 1 . 2]" 1
286 1 36 GLU HA 1 37 GLU HA . . 5.320 4.835 4.797 4.893 . 0 0 "[ . 1 . 2]" 1
287 1 36 GLU HA 1 39 LEU H . . 4.410 3.261 3.106 3.494 . 0 0 "[ . 1 . 2]" 1
288 1 36 GLU HA 1 39 LEU HA . . 5.500 5.262 4.933 5.584 0.084 12 0 "[ . 1 . 2]" 1
289 1 36 GLU HA 1 39 LEU QD . . 3.850 2.860 2.041 3.809 . 0 0 "[ . 1 . 2]" 1
290 1 36 GLU HA 1 39 LEU HG . . 4.860 3.558 2.345 4.355 . 0 0 "[ . 1 . 2]" 1
291 1 37 GLU H 1 38 SER H . . 3.880 2.743 2.657 2.808 . 0 0 "[ . 1 . 2]" 1
292 1 38 SER H 1 39 LEU QD . . 4.770 4.198 3.582 4.606 . 0 0 "[ . 1 . 2]" 1
293 1 38 SER H 1 40 GLY H . . 5.180 3.929 3.660 4.372 . 0 0 "[ . 1 . 2]" 1
294 1 38 SER HA 1 40 GLY H . . 4.490 4.301 3.949 4.648 0.158 6 0 "[ . 1 . 2]" 1
295 1 39 LEU H 1 39 LEU MD1 . . 4.450 3.841 3.355 4.270 . 0 0 "[ . 1 . 2]" 1
296 1 39 LEU H 1 39 LEU QD . . 3.440 2.829 2.368 3.181 . 0 0 "[ . 1 . 2]" 1
297 1 39 LEU H 1 39 LEU MD2 . . 4.450 2.994 2.384 3.616 . 0 0 "[ . 1 . 2]" 1
298 1 39 LEU H 1 39 LEU HG . . 4.470 3.200 2.042 4.345 . 0 0 "[ . 1 . 2]" 1
299 1 39 LEU H 1 40 GLY H . . 3.790 2.586 2.044 2.924 . 0 0 "[ . 1 . 2]" 1
300 1 39 LEU HA 1 39 LEU MD1 . . 4.540 3.005 2.082 3.906 . 0 0 "[ . 1 . 2]" 1
301 1 39 LEU HA 1 39 LEU QD . . 3.470 2.080 1.938 2.256 . 0 0 "[ . 1 . 2]" 1
302 1 39 LEU HA 1 39 LEU MD2 . . 4.540 2.316 2.113 2.774 . 0 0 "[ . 1 . 2]" 1
303 1 39 LEU HB2 1 40 GLY H . . 4.340 2.994 2.482 3.359 . 0 0 "[ . 1 . 2]" 1
304 1 39 LEU QD 1 40 GLY H . . 4.750 4.133 3.981 4.303 . 0 0 "[ . 1 . 2]" 1
305 1 39 LEU QD 1 195 LYS HA . . 3.370 2.511 2.015 2.914 . 0 0 "[ . 1 . 2]" 1
306 1 39 LEU MD1 1 40 GLY H . . 5.460 4.734 4.409 4.883 . 0 0 "[ . 1 . 2]" 1
307 1 39 LEU MD1 1 195 LYS HA . . 3.930 3.303 2.145 4.164 0.234 1 0 "[ . 1 . 2]" 1
308 1 39 LEU MD2 1 40 GLY H . . 5.460 4.581 4.264 4.845 . 0 0 "[ . 1 . 2]" 1
309 1 39 LEU MD2 1 195 LYS HA . . 3.930 2.667 2.187 3.025 . 0 0 "[ . 1 . 2]" 1
310 1 39 LEU HG 1 195 LYS HA . . 5.420 4.282 3.276 4.974 . 0 0 "[ . 1 . 2]" 1
311 1 40 GLY H 1 41 SER H . . 3.780 2.832 2.701 2.944 . 0 0 "[ . 1 . 2]" 1
312 1 40 GLY H 1 41 SER HB2 . . 5.500 5.283 4.991 5.820 0.320 9 0 "[ . 1 . 2]" 1
313 1 40 GLY HA2 1 41 SER HA . . 5.310 4.638 4.558 4.791 . 0 0 "[ . 1 . 2]" 1
314 1 41 SER H 1 41 SER HB2 . . 4.120 3.096 2.559 3.437 . 0 0 "[ . 1 . 2]" 1
315 1 42 VAL H 1 42 VAL HB . . 3.580 2.939 2.426 3.747 0.167 18 0 "[ . 1 . 2]" 1
316 1 42 VAL H 1 42 VAL QG . . 3.350 2.551 1.930 3.066 . 0 0 "[ . 1 . 2]" 1
317 1 42 VAL QG 1 191 ASP HA . . 4.230 2.869 2.072 3.620 . 0 0 "[ . 1 . 2]" 1
318 1 43 PRO HA 1 44 ALA MB . . 4.690 4.529 4.434 4.615 . 0 0 "[ . 1 . 2]" 1
319 1 44 ALA H 1 44 ALA MB . . 3.070 2.688 2.659 2.720 . 0 0 "[ . 1 . 2]" 1
320 1 44 ALA H 1 46 ALA H . . 5.480 4.944 4.670 5.295 . 0 0 "[ . 1 . 2]" 1
321 1 44 ALA HA 1 46 ALA H . . 4.470 4.144 4.005 4.336 . 0 0 "[ . 1 . 2]" 1
322 1 44 ALA MB 1 45 PRO HA . . 4.520 4.442 4.394 4.512 . 0 0 "[ . 1 . 2]" 1
323 1 44 ALA MB 1 45 PRO HB2 . . 5.170 5.235 5.095 5.311 0.141 8 0 "[ . 1 . 2]" 1
324 1 44 ALA MB 1 46 ALA H . . 3.940 2.570 2.402 2.765 . 0 0 "[ . 1 . 2]" 1
325 1 45 PRO HA 1 46 ALA HA . . 5.420 4.741 4.676 4.784 . 0 0 "[ . 1 . 2]" 1
326 1 45 PRO HB2 1 46 ALA H . . 3.910 3.741 3.339 4.000 0.090 19 0 "[ . 1 . 2]" 1
327 1 45 PRO HB2 1 46 ALA HA . . 5.080 4.360 4.163 4.528 . 0 0 "[ . 1 . 2]" 1
328 1 45 PRO HB2 1 46 ALA MB . . 4.610 4.200 3.937 4.470 . 0 0 "[ . 1 . 2]" 1
329 1 45 PRO HG2 1 46 ALA HA . . 5.500 4.386 4.231 4.645 . 0 0 "[ . 1 . 2]" 1
330 1 45 PRO HG2 1 46 ALA MB . . 3.490 3.140 2.964 3.294 . 0 0 "[ . 1 . 2]" 1
331 1 46 ALA H 1 46 ALA MB . . 3.390 2.277 2.216 2.396 . 0 0 "[ . 1 . 2]" 1
332 1 46 ALA H 1 47 CYS H . . 5.420 4.288 4.096 4.467 . 0 0 "[ . 1 . 2]" 1
333 1 46 ALA HA 1 47 CYS HA . . 5.320 4.442 4.398 4.478 . 0 0 "[ . 1 . 2]" 1
334 1 46 ALA HA 1 221 LYS H . . 5.500 5.573 5.397 5.718 0.218 11 0 "[ . 1 . 2]" 1
335 1 46 ALA MB 1 47 CYS H . . 3.760 3.432 3.318 3.543 . 0 0 "[ . 1 . 2]" 1
336 1 46 ALA MB 1 47 CYS HA . . 4.540 4.240 4.073 4.374 . 0 0 "[ . 1 . 2]" 1
337 1 46 ALA MB 1 220 CYS HA . . 4.310 4.264 3.635 4.653 0.343 8 0 "[ . 1 . 2]" 1
338 1 46 ALA MB 1 221 LYS H . . 3.840 3.507 2.921 3.822 . 0 0 "[ . 1 . 2]" 1
339 1 47 CYS H 1 48 ALA H . . 4.300 4.381 4.274 4.449 0.149 9 0 "[ . 1 . 2]" 1
340 1 47 CYS HA 1 48 ALA MB . . 4.990 3.931 3.814 4.036 . 0 0 "[ . 1 . 2]" 1
341 1 47 CYS HA 1 193 LEU QD . . 4.320 4.253 3.974 4.715 0.395 17 0 "[ . 1 . 2]" 1
342 1 47 CYS HA 1 219 LEU QD . . 5.190 4.203 3.753 4.728 . 0 0 "[ . 1 . 2]" 1
343 1 48 ALA H 1 48 ALA MB . . 3.350 2.553 2.447 2.653 . 0 0 "[ . 1 . 2]" 1
344 1 48 ALA H 1 49 LEU H . . 4.660 4.321 3.939 4.449 . 0 0 "[ . 1 . 2]" 1
345 1 48 ALA H 1 193 LEU QD . . 4.520 4.340 3.608 4.737 0.217 13 0 "[ . 1 . 2]" 1
346 1 48 ALA H 1 218 ALA HA . . 4.720 4.604 4.334 4.896 0.176 9 0 "[ . 1 . 2]" 1
347 1 48 ALA H 1 219 LEU H . . 4.160 3.196 2.981 3.562 . 0 0 "[ . 1 . 2]" 1
348 1 48 ALA H 1 219 LEU MD1 . . 5.500 3.834 3.422 4.292 . 0 0 "[ . 1 . 2]" 1
349 1 48 ALA H 1 219 LEU QD . . 4.290 3.753 3.369 4.182 . 0 0 "[ . 1 . 2]" 1
350 1 48 ALA H 1 219 LEU MD2 . . 5.500 5.354 5.042 5.777 0.277 16 0 "[ . 1 . 2]" 1
351 1 48 ALA HA 1 193 LEU QD . . 3.720 3.402 2.519 3.914 0.194 13 0 "[ . 1 . 2]" 1
352 1 48 ALA MB 1 49 LEU H . . 3.440 2.875 2.456 3.518 0.078 8 0 "[ . 1 . 2]" 1
353 1 48 ALA MB 1 164 LEU QD . . 3.440 2.403 2.027 3.141 . 0 0 "[ . 1 . 2]" 1
354 1 48 ALA MB 1 218 ALA HA . . 4.950 4.938 4.546 5.382 0.432 3 0 "[ . 1 . 2]" 1
355 1 48 ALA MB 1 219 LEU MD1 . . 4.580 2.680 2.284 3.256 . 0 0 "[ . 1 . 2]" 1
356 1 48 ALA MB 1 219 LEU QD . . 3.290 2.664 2.276 3.215 . 0 0 "[ . 1 . 2]" 1
357 1 48 ALA MB 1 219 LEU MD2 . . 4.580 4.669 4.265 4.970 0.390 16 0 "[ . 1 . 2]" 1
358 1 48 ALA MB 1 220 CYS HA . . 5.220 4.745 4.345 5.078 . 0 0 "[ . 1 . 2]" 1
359 1 49 LEU H 1 49 LEU QD . . 3.570 3.343 2.581 3.845 0.275 7 0 "[ . 1 . 2]" 1
360 1 49 LEU H 1 50 LEU H . . 5.460 4.429 4.192 4.642 . 0 0 "[ . 1 . 2]" 1
361 1 49 LEU H 1 164 LEU QD . . 4.250 3.326 2.529 4.512 0.262 8 0 "[ . 1 . 2]" 1
362 1 49 LEU H 1 165 PHE H . . 4.930 3.133 2.767 3.476 . 0 0 "[ . 1 . 2]" 1
363 1 49 LEU H 1 165 PHE HA . . 5.500 4.790 4.614 5.050 . 0 0 "[ . 1 . 2]" 1
364 1 49 LEU H 1 165 PHE QD . . 5.160 4.537 2.067 5.432 0.272 10 0 "[ . 1 . 2]" 1
365 1 49 LEU H 1 218 ALA HA . . 5.500 4.981 4.803 5.185 . 0 0 "[ . 1 . 2]" 1
366 1 49 LEU HA 1 49 LEU MD1 . . 4.040 2.908 2.117 3.895 . 0 0 "[ . 1 . 2]" 1
367 1 49 LEU HA 1 49 LEU QD . . 3.410 2.338 1.961 2.988 . 0 0 "[ . 1 . 2]" 1
368 1 49 LEU HA 1 49 LEU MD2 . . 4.040 2.977 2.173 3.860 . 0 0 "[ . 1 . 2]" 1
369 1 49 LEU HA 1 164 LEU QD . . 5.200 4.440 3.996 5.096 . 0 0 "[ . 1 . 2]" 1
370 1 49 LEU HA 1 217 VAL H . . 4.920 4.826 4.546 5.043 0.123 6 0 "[ . 1 . 2]" 1
371 1 49 LEU HA 1 218 ALA HA . . 4.390 2.433 2.239 2.637 . 0 0 "[ . 1 . 2]" 1
372 1 49 LEU HA 1 218 ALA MB . . 4.210 3.740 3.497 3.981 . 0 0 "[ . 1 . 2]" 1
373 1 49 LEU HA 1 219 LEU H . . 4.960 3.335 2.826 3.607 . 0 0 "[ . 1 . 2]" 1
374 1 49 LEU HB2 1 50 LEU H . . 5.500 4.226 3.599 4.672 . 0 0 "[ . 1 . 2]" 1
375 1 49 LEU HB2 1 165 PHE QD . . 5.300 3.678 2.276 5.184 . 0 0 "[ . 1 . 2]" 1
376 1 49 LEU HB2 1 166 ASN HA . . 5.500 5.572 5.092 6.112 0.612 12 1 "[ . 1 + . 2]" 1
377 1 49 LEU QD 1 50 LEU H . . 4.230 3.438 2.247 4.289 0.059 4 0 "[ . 1 . 2]" 1
378 1 49 LEU QD 1 165 PHE QD . . 4.120 3.687 2.273 4.458 0.338 2 0 "[ . 1 . 2]" 1
379 1 49 LEU QD 1 197 ALA MB . . 3.270 2.200 1.897 3.258 . 0 0 "[ . 1 . 2]" 1
380 1 49 LEU QD 1 198 ALA H . . 4.140 3.578 2.914 4.317 0.177 20 0 "[ . 1 . 2]" 1
381 1 49 LEU QD 1 198 ALA HA . . 3.760 3.408 2.558 4.031 0.271 20 0 "[ . 1 . 2]" 1
382 1 49 LEU QD 1 218 ALA HA . . 3.840 2.519 2.056 3.574 . 0 0 "[ . 1 . 2]" 1
383 1 49 LEU QD 1 219 LEU H . . 3.890 3.600 3.039 4.220 0.330 10 0 "[ . 1 . 2]" 1
384 1 49 LEU MD1 1 50 LEU H . . 4.960 3.984 2.262 5.076 0.116 11 0 "[ . 1 . 2]" 1
385 1 49 LEU MD2 1 50 LEU H . . 4.960 4.075 3.383 4.907 . 0 0 "[ . 1 . 2]" 1
386 1 49 LEU HG 1 50 LEU H . . 5.200 4.344 2.224 5.277 0.077 11 0 "[ . 1 . 2]" 1
387 1 50 LEU H 1 164 LEU HA . . 5.460 5.019 4.732 5.328 . 0 0 "[ . 1 . 2]" 1
388 1 50 LEU H 1 216 ALA MB . . 5.310 4.898 4.347 5.372 0.062 10 0 "[ . 1 . 2]" 1
389 1 50 LEU H 1 217 VAL H . . 4.560 3.136 2.867 3.423 . 0 0 "[ . 1 . 2]" 1
390 1 50 LEU H 1 217 VAL HB . . 5.210 4.388 3.435 5.189 . 0 0 "[ . 1 . 2]" 1
391 1 50 LEU H 1 218 ALA HA . . 4.250 3.544 3.081 3.879 . 0 0 "[ . 1 . 2]" 1
392 1 50 LEU H 1 218 ALA MB . . 5.500 4.734 4.436 5.004 . 0 0 "[ . 1 . 2]" 1
393 1 50 LEU H 1 219 LEU H . . 4.940 4.549 4.157 4.906 . 0 0 "[ . 1 . 2]" 1
394 1 50 LEU HA 1 164 LEU QD . . 4.530 3.205 2.410 3.719 . 0 0 "[ . 1 . 2]" 1
395 1 51 LEU H 1 52 LEU H . . 5.400 4.377 4.228 4.508 . 0 0 "[ . 1 . 2]" 1
396 1 51 LEU H 1 163 ILE MD . . 4.150 3.376 2.422 4.177 0.027 9 0 "[ . 1 . 2]" 1
397 1 51 LEU HA 1 51 LEU QD . . 3.750 2.899 2.109 3.268 . 0 0 "[ . 1 . 2]" 1
398 1 51 LEU HA 1 163 ILE MD . . 5.480 5.147 4.032 6.130 0.650 9 1 "[ . +1 . 2]" 1
399 1 51 LEU HA 1 216 ALA HA . . 4.510 2.434 2.254 2.618 . 0 0 "[ . 1 . 2]" 1
400 1 51 LEU HA 1 216 ALA MB . . 4.230 3.410 2.758 3.869 . 0 0 "[ . 1 . 2]" 1
401 1 51 LEU HA 1 217 VAL H . . 5.040 3.724 3.436 4.072 . 0 0 "[ . 1 . 2]" 1
402 1 51 LEU QD 1 52 LEU H . . 3.880 2.676 1.998 3.172 . 0 0 "[ . 1 . 2]" 1
403 1 51 LEU QD 1 52 LEU HA . . 4.090 3.539 2.954 4.381 0.291 17 0 "[ . 1 . 2]" 1
404 1 51 LEU QD 1 53 PHE H . . 4.660 3.723 3.050 4.569 . 0 0 "[ . 1 . 2]" 1
405 1 51 LEU QD 1 53 PHE QD . . 3.680 2.837 2.065 4.038 0.358 15 0 "[ . 1 . 2]" 1
406 1 51 LEU QD 1 205 THR HA . . 5.440 4.143 3.264 5.128 . 0 0 "[ . 1 . 2]" 1
407 1 51 LEU QD 1 205 THR HB . . 3.800 2.761 2.088 3.711 . 0 0 "[ . 1 . 2]" 1
408 1 51 LEU QD 1 214 PHE QD . . 3.530 2.471 2.146 3.248 . 0 0 "[ . 1 . 2]" 1
409 1 51 LEU QD 1 215 SER H . . 4.890 3.689 3.009 4.491 . 0 0 "[ . 1 . 2]" 1
410 1 51 LEU QD 1 216 ALA HA . . 4.600 3.775 2.680 4.638 0.038 4 0 "[ . 1 . 2]" 1
411 1 51 LEU MD1 1 205 THR HB . . 4.940 2.925 2.123 4.132 . 0 0 "[ . 1 . 2]" 1
412 1 51 LEU MD2 1 205 THR HB . . 4.940 3.692 2.436 4.502 . 0 0 "[ . 1 . 2]" 1
413 1 52 LEU H 1 52 LEU QD . . 4.610 3.894 3.648 4.027 . 0 0 "[ . 1 . 2]" 1
414 1 52 LEU H 1 53 PHE H . . 4.480 4.380 4.211 4.539 0.059 7 0 "[ . 1 . 2]" 1
415 1 52 LEU H 1 53 PHE QD . . 5.480 5.089 4.294 6.105 0.625 7 1 "[ . + 1 . 2]" 1
416 1 52 LEU H 1 214 PHE HA . . 5.400 4.850 4.503 5.518 0.118 7 0 "[ . 1 . 2]" 1
417 1 52 LEU H 1 214 PHE QD . . 4.750 3.865 3.473 4.365 . 0 0 "[ . 1 . 2]" 1
418 1 52 LEU H 1 215 SER H . . 4.990 2.931 2.697 3.334 . 0 0 "[ . 1 . 2]" 1
419 1 52 LEU H 1 216 ALA HA . . 4.760 3.719 3.328 4.153 . 0 0 "[ . 1 . 2]" 1
420 1 52 LEU H 1 216 ALA MB . . 4.800 4.286 3.764 4.704 . 0 0 "[ . 1 . 2]" 1
421 1 52 LEU HA 1 52 LEU MD1 . . 4.230 2.531 2.172 3.912 . 0 0 "[ . 1 . 2]" 1
422 1 52 LEU HA 1 52 LEU QD . . 3.660 2.360 2.161 3.213 . 0 0 "[ . 1 . 2]" 1
423 1 52 LEU HA 1 52 LEU MD2 . . 4.230 3.748 2.206 3.978 . 0 0 "[ . 1 . 2]" 1
424 1 52 LEU HA 1 214 PHE QD . . 5.500 6.078 5.551 6.345 0.845 3 14 "[ -+ * **** ***.*** *]" 1
425 1 52 LEU QD 1 53 PHE H . . 3.840 2.823 2.147 3.357 . 0 0 "[ . 1 . 2]" 1
426 1 52 LEU QD 1 160 PHE QD . . 3.430 2.392 2.090 2.978 . 0 0 "[ . 1 . 2]" 1
427 1 52 LEU QD 1 160 PHE HZ . . 5.010 4.170 3.194 4.962 . 0 0 "[ . 1 . 2]" 1
428 1 52 LEU QD 1 215 SER H . . 5.230 3.743 2.802 4.336 . 0 0 "[ . 1 . 2]" 1
429 1 52 LEU MD1 1 53 PHE H . . 4.670 3.091 2.348 4.685 0.015 10 0 "[ . 1 . 2]" 1
430 1 52 LEU MD1 1 160 PHE QD . . 4.040 2.556 2.107 3.530 . 0 0 "[ . 1 . 2]" 1
431 1 52 LEU MD2 1 53 PHE H . . 4.670 4.216 2.219 4.837 0.167 3 0 "[ . 1 . 2]" 1
432 1 52 LEU MD2 1 160 PHE QD . . 4.040 3.339 2.278 4.011 . 0 0 "[ . 1 . 2]" 1
433 1 52 LEU HG 1 53 PHE H . . 3.930 3.158 2.464 4.661 0.731 5 1 "[ + 1 . 2]" 1
434 1 52 LEU HG 1 160 PHE QD . . 4.720 3.759 2.392 5.120 0.400 7 0 "[ . 1 . 2]" 1
435 1 53 PHE H 1 53 PHE QD . . 4.880 3.753 2.452 4.537 . 0 0 "[ . 1 . 2]" 1
436 1 53 PHE H 1 160 PHE QD . . 5.500 4.827 3.806 5.495 . 0 0 "[ . 1 . 2]" 1
437 1 54 PRO HA 1 55 LEU QD . . 4.690 3.926 3.324 4.703 0.013 5 0 "[ . 1 . 2]" 1
438 1 54 PRO HA 1 161 HIS H . . 5.500 3.091 2.482 3.459 . 0 0 "[ . 1 . 2]" 1
439 1 55 LEU H 1 55 LEU HB2 . . 3.780 3.761 3.584 4.023 0.243 2 0 "[ . 1 . 2]" 1
440 1 55 LEU H 1 55 LEU QD . . 3.830 2.522 1.981 3.195 . 0 0 "[ . 1 . 2]" 1
441 1 55 LEU H 1 55 LEU HG . . 4.420 3.217 2.090 4.022 . 0 0 "[ . 1 . 2]" 1
442 1 55 LEU H 1 160 PHE HA . . 4.150 2.624 2.090 3.096 . 0 0 "[ . 1 . 2]" 1
443 1 55 LEU H 1 161 HIS H . . 4.770 3.473 2.706 4.281 . 0 0 "[ . 1 . 2]" 1
444 1 55 LEU HA 1 55 LEU QD . . 4.260 3.430 3.404 3.469 . 0 0 "[ . 1 . 2]" 1
445 1 55 LEU HB2 1 56 THR H . . 4.790 2.491 2.215 2.915 . 0 0 "[ . 1 . 2]" 1
446 1 55 LEU HB2 1 56 THR HA . . 5.100 4.805 4.449 5.079 . 0 0 "[ . 1 . 2]" 1
447 1 55 LEU HB2 1 60 GLU H . . 5.130 4.286 3.998 4.841 . 0 0 "[ . 1 . 2]" 1
448 1 55 LEU HB2 1 161 HIS H . . 5.500 5.725 5.142 6.409 0.909 18 4 "[ * . *1 .- + 2]" 1
449 1 55 LEU QD 1 56 THR H . . 4.580 3.345 2.970 3.815 . 0 0 "[ . 1 . 2]" 1
450 1 55 LEU QD 1 160 PHE H . . 5.390 4.055 3.252 5.759 0.369 18 0 "[ . 1 . 2]" 1
451 1 55 LEU QD 1 160 PHE HA . . 4.200 3.086 2.279 4.508 0.308 18 0 "[ . 1 . 2]" 1
452 1 55 LEU QD 1 161 HIS H . . 4.080 3.562 2.772 4.544 0.464 18 0 "[ . 1 . 2]" 1
453 1 55 LEU MD1 1 56 THR H . . 5.440 3.551 3.015 4.179 . 0 0 "[ . 1 . 2]" 1
454 1 55 LEU MD1 1 161 HIS HA . . 5.500 5.027 3.731 6.300 0.800 18 4 "[ * 1 - . +*2]" 1
455 1 55 LEU MD2 1 56 THR H . . 5.440 4.250 3.710 4.947 . 0 0 "[ . 1 . 2]" 1
456 1 55 LEU MD2 1 161 HIS HA . . 5.500 3.873 3.152 4.550 . 0 0 "[ . 1 . 2]" 1
457 1 55 LEU HG 1 56 THR HA . . 5.500 4.368 3.542 6.111 0.611 9 1 "[ . +1 . 2]" 1
458 1 55 LEU HG 1 160 PHE HA . . 5.500 4.671 2.873 5.813 0.313 12 0 "[ . 1 . 2]" 1
459 1 56 THR H 1 56 THR MG . . 4.030 4.012 3.813 4.095 0.065 19 0 "[ . 1 . 2]" 1
460 1 56 THR H 1 59 HIS H . . 4.110 3.562 3.179 4.109 . 0 0 "[ . 1 . 2]" 1
461 1 56 THR H 1 60 GLU H . . 3.920 3.396 2.935 3.759 . 0 0 "[ . 1 . 2]" 1
462 1 56 THR HB 1 58 GLN HA . . 5.290 5.344 4.997 5.910 0.620 13 1 "[ . 1 + . 2]" 1
463 1 56 THR HB 1 58 GLN QE . . 5.260 4.476 3.449 5.790 0.530 17 1 "[ . 1 . + 2]" 1
464 1 56 THR MG 1 57 ALA H . . 4.110 2.197 1.930 2.843 . 0 0 "[ . 1 . 2]" 1
465 1 56 THR MG 1 57 ALA HA . . 4.500 4.518 4.347 5.188 0.688 7 1 "[ . + 1 . 2]" 1
466 1 57 ALA H 1 57 ALA MB . . 3.330 2.194 2.180 2.203 . 0 0 "[ . 1 . 2]" 1
467 1 57 ALA H 1 58 GLN H . . 4.460 2.953 2.875 3.036 . 0 0 "[ . 1 . 2]" 1
468 1 57 ALA H 1 59 HIS H . . 5.340 4.651 4.409 4.869 . 0 0 "[ . 1 . 2]" 1
469 1 57 ALA HA 1 61 ASN H . . 4.420 3.805 3.581 4.060 . 0 0 "[ . 1 . 2]" 1
470 1 57 ALA MB 1 58 GLN H . . 3.550 2.657 2.532 2.802 . 0 0 "[ . 1 . 2]" 1
471 1 57 ALA MB 1 60 GLU H . . 5.450 4.762 4.600 4.981 . 0 0 "[ . 1 . 2]" 1
472 1 57 ALA MB 1 61 ASN HD21 . . 5.500 3.903 3.770 4.307 . 0 0 "[ . 1 . 2]" 1
473 1 57 ALA MB 1 61 ASN QD . . 4.690 3.662 3.214 4.166 . 0 0 "[ . 1 . 2]" 1
474 1 57 ALA MB 1 61 ASN HD22 . . 5.500 4.719 3.396 5.537 0.037 19 0 "[ . 1 . 2]" 1
475 1 58 GLN H 1 58 GLN HB2 . . 3.680 2.759 2.288 3.678 . 0 0 "[ . 1 . 2]" 1
476 1 58 GLN H 1 58 GLN QE . . 4.170 3.889 2.764 4.979 0.809 9 5 "[* . +1 -. * *2]" 1
477 1 58 GLN H 1 58 GLN HG2 . . 4.760 3.289 2.199 3.991 . 0 0 "[ . 1 . 2]" 1
478 1 58 GLN H 1 59 HIS H . . 4.120 2.873 2.775 2.937 . 0 0 "[ . 1 . 2]" 1
479 1 58 GLN H 1 60 GLU H . . 4.060 4.177 3.979 4.347 0.287 11 0 "[ . 1 . 2]" 1
480 1 58 GLN H 1 61 ASN QD . . 5.340 4.142 3.961 4.711 . 0 0 "[ . 1 . 2]" 1
481 1 58 GLN HA 1 58 GLN QE . . 4.270 4.665 4.186 4.838 0.568 5 7 "[ * + ** -* * . 2]" 1
482 1 58 GLN HA 1 61 ASN H . . 4.110 3.939 3.679 4.091 . 0 0 "[ . 1 . 2]" 1
483 1 58 GLN HA 1 61 ASN HD21 . . 4.290 2.456 2.079 3.117 . 0 0 "[ . 1 . 2]" 1
484 1 58 GLN HA 1 61 ASN HD22 . . 4.290 2.777 2.276 4.515 0.225 15 0 "[ . 1 . 2]" 1
485 1 58 GLN HB2 1 59 HIS H . . 3.970 2.847 2.344 3.825 . 0 0 "[ . 1 . 2]" 1
486 1 59 HIS HA 1 62 PHE H . . 3.940 3.569 3.290 3.712 . 0 0 "[ . 1 . 2]" 1
487 1 59 HIS HA 1 62 PHE QD . . 4.420 3.761 3.165 4.653 0.233 8 0 "[ . 1 . 2]" 1
488 1 59 HIS HA 1 63 ARG H . . 4.340 3.700 3.500 3.868 . 0 0 "[ . 1 . 2]" 1
489 1 60 GLU H 1 62 PHE H . . 4.270 4.251 4.073 4.469 0.199 8 0 "[ . 1 . 2]" 1
490 1 60 GLU HA 1 63 ARG H . . 3.880 3.788 3.594 4.140 0.260 12 0 "[ . 1 . 2]" 1
491 1 61 ASN H 1 61 ASN HD21 . . 4.490 2.936 2.594 3.972 . 0 0 "[ . 1 . 2]" 1
492 1 61 ASN H 1 61 ASN QD . . 3.840 2.854 2.565 3.692 . 0 0 "[ . 1 . 2]" 1
493 1 61 ASN H 1 61 ASN HD22 . . 4.490 4.146 4.002 4.386 . 0 0 "[ . 1 . 2]" 1
494 1 61 ASN H 1 62 PHE H . . 3.550 2.791 2.633 2.951 . 0 0 "[ . 1 . 2]" 1
495 1 61 ASN H 1 63 ARG H . . 4.240 4.403 4.137 4.608 0.368 1 0 "[ . 1 . 2]" 1
496 1 61 ASN HA 1 63 ARG H . . 4.940 4.596 4.458 4.765 . 0 0 "[ . 1 . 2]" 1
497 1 61 ASN HA 1 64 LYS H . . 4.160 3.716 3.527 4.027 . 0 0 "[ . 1 . 2]" 1
498 1 61 ASN HA 1 65 LYS H . . 4.300 3.875 3.675 4.261 . 0 0 "[ . 1 . 2]" 1
499 1 61 ASN QD 1 62 PHE H . . 3.740 3.545 3.152 4.703 0.963 4 4 "[ +. * 1- * 2]" 1
500 1 63 ARG H 1 64 LYS H . . 4.010 2.970 2.890 3.057 . 0 0 "[ . 1 . 2]" 1
501 1 63 ARG H 1 65 LYS H . . 4.590 4.343 4.230 4.574 . 0 0 "[ . 1 . 2]" 1
502 1 63 ARG HA 1 66 GLN H . . 4.690 3.639 3.454 3.776 . 0 0 "[ . 1 . 2]" 1
503 1 63 ARG HA 1 67 ILE MG . . 4.820 3.596 3.262 3.957 . 0 0 "[ . 1 . 2]" 1
504 1 63 ARG HA 1 179 MET ME . . 4.540 4.709 4.364 5.093 0.553 1 2 "[+ . 1 . - 2]" 1
505 1 64 LYS H 1 65 LYS H . . 4.000 2.873 2.757 3.008 . 0 0 "[ . 1 . 2]" 1
506 1 64 LYS H 1 66 GLN H . . 4.340 4.423 4.326 4.517 0.177 17 0 "[ . 1 . 2]" 1
507 1 64 LYS H 1 179 MET ME . . 3.700 3.398 2.928 4.234 0.534 18 1 "[ . 1 . + 2]" 1
508 1 64 LYS HA 1 67 ILE HB . . 5.270 5.116 5.035 5.254 . 0 0 "[ . 1 . 2]" 1
509 1 65 LYS H 1 65 LYS HB2 . . 3.600 2.443 2.311 2.514 . 0 0 "[ . 1 . 2]" 1
510 1 65 LYS H 1 66 GLN H . . 3.830 2.826 2.767 2.926 . 0 0 "[ . 1 . 2]" 1
511 1 65 LYS H 1 67 ILE H . . 5.090 4.538 4.425 4.674 . 0 0 "[ . 1 . 2]" 1
512 1 65 LYS HA 1 69 GLU H . . 4.000 3.908 3.678 4.161 0.161 18 0 "[ . 1 . 2]" 1
513 1 66 GLN H 1 67 ILE H . . 3.170 2.988 2.897 3.067 . 0 0 "[ . 1 . 2]" 1
514 1 66 GLN H 1 69 GLU H . . 5.100 4.792 4.682 4.893 . 0 0 "[ . 1 . 2]" 1
515 1 67 ILE H 1 67 ILE MG . . 3.640 2.213 2.098 2.335 . 0 0 "[ . 1 . 2]" 1
516 1 67 ILE H 1 68 GLU H . . 4.520 2.816 2.747 2.885 . 0 0 "[ . 1 . 2]" 1
517 1 67 ILE HA 1 67 ILE MG . . 3.240 2.296 2.247 2.379 . 0 0 "[ . 1 . 2]" 1
518 1 67 ILE HA 1 70 LEU HB2 . . 3.740 3.335 2.313 4.133 0.393 4 0 "[ . 1 . 2]" 1
519 1 67 ILE HA 1 70 LEU MD1 . . 4.690 4.164 2.723 4.944 0.254 3 0 "[ . 1 . 2]" 1
520 1 67 ILE HA 1 70 LEU QD . . 3.550 3.464 2.683 3.957 0.407 4 0 "[ . 1 . 2]" 1
521 1 67 ILE HA 1 70 LEU MD2 . . 4.690 3.978 2.701 4.992 0.302 11 0 "[ . 1 . 2]" 1
522 1 67 ILE HA 1 183 VAL QG . . 3.490 3.137 2.111 3.721 0.231 12 0 "[ . 1 . 2]" 1
523 1 67 ILE HB 1 68 GLU H . . 4.030 3.989 3.909 4.060 0.030 2 0 "[ . 1 . 2]" 1
524 1 67 ILE HB 1 181 PHE HA . . 5.220 4.786 4.364 5.413 0.193 8 0 "[ . 1 . 2]" 1
525 1 67 ILE MD 1 176 ASP H . . 5.500 4.936 4.049 6.027 0.527 18 1 "[ . 1 . + 2]" 1
526 1 67 ILE MD 1 179 MET ME . . 3.320 2.088 1.989 2.202 . 0 0 "[ . 1 . 2]" 1
527 1 67 ILE MG 1 176 ASP H . . 5.000 4.315 3.404 4.922 . 0 0 "[ . 1 . 2]" 1
528 1 67 ILE MG 1 179 MET ME . . 3.150 3.642 3.318 3.957 0.807 14 12 "[** ** * **- +** *]" 1
529 1 67 ILE MG 1 181 PHE HB2 . . 4.630 4.178 3.447 4.692 0.062 8 0 "[ . 1 . 2]" 1
530 1 68 GLU H 1 69 GLU H . . 4.080 2.695 2.530 2.815 . 0 0 "[ . 1 . 2]" 1
531 1 68 GLU H 1 70 LEU HB2 . . 5.410 5.628 4.720 6.086 0.676 16 6 "[ -*. * *1 .+ *2]" 1
532 1 70 LEU H 1 70 LEU HB2 . . 3.400 2.279 2.051 2.438 . 0 0 "[ . 1 . 2]" 1
533 1 70 LEU H 1 70 LEU MD1 . . 4.550 4.016 3.731 4.288 . 0 0 "[ . 1 . 2]" 1
534 1 70 LEU H 1 70 LEU QD . . 3.590 3.653 3.097 3.779 0.189 19 0 "[ . 1 . 2]" 1
535 1 70 LEU H 1 70 LEU MD2 . . 4.550 4.267 3.177 4.436 . 0 0 "[ . 1 . 2]" 1
536 1 70 LEU H 1 70 LEU HG . . 4.770 4.406 3.945 4.533 . 0 0 "[ . 1 . 2]" 1
537 1 70 LEU H 1 71 LYS H . . 3.570 2.725 2.608 2.866 . 0 0 "[ . 1 . 2]" 1
538 1 70 LEU HA 1 70 LEU MD1 . . 3.730 3.040 2.237 3.775 0.045 11 0 "[ . 1 . 2]" 1
539 1 70 LEU HA 1 70 LEU QD . . 3.060 2.702 1.992 3.102 0.042 7 0 "[ . 1 . 2]" 1
540 1 70 LEU HA 1 70 LEU MD2 . . 3.730 3.440 2.180 3.919 0.189 13 0 "[ . 1 . 2]" 1
541 1 70 LEU HA 1 70 LEU HG . . 3.340 2.564 2.287 3.694 0.354 10 0 "[ . 1 . 2]" 1
542 1 70 LEU HA 1 72 GLY H . . 5.010 4.977 4.056 5.490 0.480 5 0 "[ . 1 . 2]" 1
543 1 70 LEU HB2 1 70 LEU MD1 . . 3.130 2.266 2.151 3.243 0.113 10 0 "[ . 1 . 2]" 1
544 1 70 LEU HB2 1 70 LEU MD2 . . 3.130 2.924 2.363 3.247 0.117 8 0 "[ . 1 . 2]" 1
545 1 70 LEU HB2 1 71 LYS H . . 4.470 3.938 3.466 4.168 . 0 0 "[ . 1 . 2]" 1
546 1 70 LEU QD 1 71 LYS H . . 4.630 3.963 3.602 4.383 . 0 0 "[ . 1 . 2]" 1
547 1 70 LEU QD 1 183 VAL QG . . 2.790 2.045 1.792 2.532 . 0 0 "[ . 1 . 2]" 1
548 1 70 LEU QD 1 184 ASN H . . 4.050 2.955 1.958 4.303 0.253 10 0 "[ . 1 . 2]" 1
549 1 70 LEU QD 1 184 ASN HA . . 5.180 4.857 3.990 5.570 0.390 10 0 "[ . 1 . 2]" 1
550 1 70 LEU QD 1 184 ASN QD . . 5.270 4.255 2.811 5.607 0.337 4 0 "[ . 1 . 2]" 1
551 1 70 LEU QD 1 185 HIS H . . 5.430 5.117 4.540 5.712 0.282 11 0 "[ . 1 . 2]" 1
552 1 70 LEU QD 1 185 HIS HA . . 4.070 4.219 3.974 4.550 0.480 3 0 "[ . 1 . 2]" 1
553 1 70 LEU MD1 1 71 LYS H . . 5.450 4.989 4.379 5.279 . 0 0 "[ . 1 . 2]" 1
554 1 70 LEU MD2 1 71 LYS H . . 5.450 4.217 3.702 4.869 . 0 0 "[ . 1 . 2]" 1
555 1 70 LEU HG 1 72 GLY H . . 5.260 4.751 3.370 5.746 0.486 5 0 "[ . 1 . 2]" 1
556 1 71 LYS H 1 72 GLY H . . 4.240 3.056 2.853 3.279 . 0 0 "[ . 1 . 2]" 1
557 1 72 GLY H 1 73 GLN H . . 4.690 4.256 2.842 4.681 . 0 0 "[ . 1 . 2]" 1
558 1 73 GLN H 1 73 GLN HB2 . . 4.050 2.745 2.100 3.842 . 0 0 "[ . 1 . 2]" 1
559 1 73 GLN H 1 74 GLU H . . 4.660 4.075 2.244 4.698 0.038 15 0 "[ . 1 . 2]" 1
560 1 73 GLN HA 1 73 GLN QE . . 4.440 3.677 2.365 4.817 0.377 5 0 "[ . 1 . 2]" 1
561 1 73 GLN HA 1 74 GLU H . . 3.050 2.605 2.103 3.597 0.547 20 1 "[ . 1 . +]" 1
562 1 73 GLN QE 1 74 GLU H . . 5.280 3.514 2.515 4.576 . 0 0 "[ . 1 . 2]" 1
563 1 74 GLU HA 1 75 VAL H . . 3.400 2.664 2.131 3.573 0.173 18 0 "[ . 1 . 2]" 1
564 1 75 VAL H 1 75 VAL HB . . 3.950 3.274 2.480 3.974 0.024 3 0 "[ . 1 . 2]" 1
565 1 75 VAL H 1 75 VAL QG . . 3.440 2.297 1.930 3.027 . 0 0 "[ . 1 . 2]" 1
566 1 75 VAL HA 1 75 VAL QG . . 3.120 2.250 2.116 2.357 . 0 0 "[ . 1 . 2]" 1
567 1 75 VAL HA 1 81 PHE QE . . 4.710 3.903 2.514 4.964 0.254 11 0 "[ . 1 . 2]" 1
568 1 75 VAL HB 1 76 SER H . . 5.030 3.639 2.341 4.446 . 0 0 "[ . 1 . 2]" 1
569 1 75 VAL HB 1 81 PHE QE . . 4.940 4.121 2.919 5.477 0.537 18 1 "[ . 1 . + 2]" 1
570 1 75 VAL QG 1 76 SER H . . 3.780 2.893 2.000 3.688 . 0 0 "[ . 1 . 2]" 1
571 1 75 VAL QG 1 76 SER HA . . 4.370 4.062 3.386 4.516 0.146 6 0 "[ . 1 . 2]" 1
572 1 75 VAL QG 1 77 PRO HA . . 5.180 4.474 4.059 5.360 0.180 3 0 "[ . 1 . 2]" 1
573 1 75 VAL QG 1 79 VAL QG . . 4.550 3.197 1.998 4.655 0.105 6 0 "[ . 1 . 2]" 1
574 1 75 VAL QG 1 81 PHE QE . . 3.200 2.536 2.037 3.335 0.135 10 0 "[ . 1 . 2]" 1
575 1 76 SER H 1 79 VAL MG1 . . 4.570 3.226 2.190 5.167 0.597 4 1 "[ +. 1 . 2]" 1
576 1 76 SER H 1 79 VAL QG . . 4.010 2.914 2.183 3.823 . 0 0 "[ . 1 . 2]" 1
577 1 76 SER H 1 79 VAL MG2 . . 4.570 4.127 3.155 5.067 0.497 19 0 "[ . 1 . 2]" 1
578 1 76 SER HA 1 79 VAL QG . . 4.920 4.344 3.898 4.780 . 0 0 "[ . 1 . 2]" 1
579 1 76 SER HA 1 168 VAL QG . . 4.900 4.319 3.780 4.786 . 0 0 "[ . 1 . 2]" 1
580 1 77 PRO HG2 1 78 LYS H . . 4.460 2.689 2.169 3.414 . 0 0 "[ . 1 . 2]" 1
581 1 78 LYS H 1 79 VAL H . . 3.840 2.502 2.230 2.710 . 0 0 "[ . 1 . 2]" 1
582 1 79 VAL H 1 79 VAL HB . . 3.370 2.818 2.426 3.341 . 0 0 "[ . 1 . 2]" 1
583 1 79 VAL H 1 79 VAL MG1 . . 3.950 2.962 1.900 3.858 . 0 0 "[ . 1 . 2]" 1
584 1 79 VAL H 1 79 VAL QG . . 3.120 2.201 1.895 2.573 . 0 0 "[ . 1 . 2]" 1
585 1 79 VAL H 1 79 VAL MG2 . . 3.950 3.097 1.900 3.998 0.048 18 0 "[ . 1 . 2]" 1
586 1 79 VAL H 1 80 TYR H . . 4.800 4.373 3.751 4.733 . 0 0 "[ . 1 . 2]" 1
587 1 79 VAL H 1 168 VAL MG1 . . 3.790 3.094 2.525 3.934 0.144 7 0 "[ . 1 . 2]" 1
588 1 79 VAL H 1 168 VAL QG . . 3.250 2.767 2.317 3.528 0.278 7 0 "[ . 1 . 2]" 1
589 1 79 VAL H 1 168 VAL MG2 . . 3.790 3.212 2.422 3.989 0.199 7 0 "[ . 1 . 2]" 1
590 1 79 VAL HA 1 97 HIS HE1 . . 5.350 2.740 2.099 4.062 . 0 0 "[ . 1 . 2]" 1
591 1 79 VAL HA 1 100 ALA MB . . 5.260 4.630 3.656 5.394 0.134 11 0 "[ . 1 . 2]" 1
592 1 79 VAL HA 1 168 VAL QG . . 5.440 3.502 2.754 4.161 . 0 0 "[ . 1 . 2]" 1
593 1 79 VAL HB 1 80 TYR H . . 4.520 4.250 3.410 4.531 0.011 11 0 "[ . 1 . 2]" 1
594 1 79 VAL HB 1 168 VAL QG . . 4.120 2.967 1.931 4.237 0.117 4 0 "[ . 1 . 2]" 1
595 1 79 VAL HB 1 173 TYR QD . . 5.240 5.111 4.474 5.646 0.406 8 0 "[ . 1 . 2]" 1
596 1 79 VAL QG 1 80 TYR H . . 3.620 2.894 2.111 3.361 . 0 0 "[ . 1 . 2]" 1
597 1 79 VAL QG 1 81 PHE H . . 4.970 4.070 2.867 5.220 0.250 4 0 "[ . 1 . 2]" 1
598 1 79 VAL QG 1 81 PHE HA . . 5.140 5.123 4.535 5.784 0.644 10 1 "[ . + . 2]" 1
599 1 79 VAL QG 1 81 PHE QE . . 4.270 2.641 2.092 3.320 . 0 0 "[ . 1 . 2]" 1
600 1 79 VAL QG 1 164 LEU QD . . 4.440 3.771 2.655 4.384 . 0 0 "[ . 1 . 2]" 1
601 1 79 VAL QG 1 168 VAL H . . 5.440 4.961 4.220 5.834 0.394 13 0 "[ . 1 . 2]" 1
602 1 79 VAL QG 1 168 VAL HB . . 3.520 3.072 2.360 3.858 0.338 13 0 "[ . 1 . 2]" 1
603 1 79 VAL QG 1 168 VAL QG . . 2.670 1.989 1.838 2.307 . 0 0 "[ . 1 . 2]" 1
604 1 79 VAL QG 1 169 ASP H . . 5.440 5.603 5.353 6.033 0.593 4 3 "[ -+* 1 . 2]" 1
605 1 79 VAL QG 1 173 TYR H . . 5.440 5.044 4.269 5.784 0.344 13 0 "[ . 1 . 2]" 1
606 1 79 VAL QG 1 173 TYR HA . . 5.440 5.054 4.486 5.665 0.225 19 0 "[ . 1 . 2]" 1
607 1 79 VAL QG 1 173 TYR HB2 . . 3.960 3.331 2.748 4.009 0.049 13 0 "[ . 1 . 2]" 1
608 1 79 VAL QG 1 175 LEU QD . . 2.580 1.991 1.783 2.293 . 0 0 "[ . 1 . 2]" 1
609 1 79 VAL MG1 1 80 TYR H . . 4.390 3.598 2.116 4.478 0.088 20 0 "[ . 1 . 2]" 1
610 1 79 VAL MG1 1 168 VAL MG1 . . 5.140 3.711 2.178 5.401 0.261 4 0 "[ . 1 . 2]" 1
611 1 79 VAL MG1 1 168 VAL MG2 . . 5.140 3.220 1.984 4.282 . 0 0 "[ . 1 . 2]" 1
612 1 79 VAL MG2 1 80 TYR H . . 4.390 3.589 2.500 4.333 . 0 0 "[ . 1 . 2]" 1
613 1 79 VAL MG2 1 168 VAL MG1 . . 5.140 3.421 2.163 4.658 . 0 0 "[ . 1 . 2]" 1
614 1 79 VAL MG2 1 168 VAL MG2 . . 5.140 2.692 1.989 3.624 . 0 0 "[ . 1 . 2]" 1
615 1 80 TYR H 1 81 PHE H . . 5.220 4.207 3.419 4.519 . 0 0 "[ . 1 . 2]" 1
616 1 80 TYR H 1 97 HIS HE1 . . 5.470 3.842 2.685 5.423 . 0 0 "[ . 1 . 2]" 1
617 1 80 TYR H 1 100 ALA MB . . 4.020 3.471 2.555 3.816 . 0 0 "[ . 1 . 2]" 1
618 1 80 TYR HA 1 80 TYR QD . . 3.840 2.583 1.998 3.085 . 0 0 "[ . 1 . 2]" 1
619 1 80 TYR HA 1 80 TYR QE . . 4.730 4.328 4.144 4.526 . 0 0 "[ . 1 . 2]" 1
620 1 80 TYR QD 1 100 ALA HA . . 5.500 5.139 4.454 5.699 0.199 9 0 "[ . 1 . 2]" 1
621 1 80 TYR QD 1 100 ALA MB . . 4.150 2.978 2.257 3.345 . 0 0 "[ . 1 . 2]" 1
622 1 80 TYR QD 1 121 THR MG . . 3.980 3.722 3.095 4.221 0.241 18 0 "[ . 1 . 2]" 1
623 1 80 TYR QD 1 122 GLU HA . . 4.730 4.661 4.241 4.937 0.207 19 0 "[ . 1 . 2]" 1
624 1 80 TYR QE 1 100 ALA MB . . 5.040 4.527 3.550 5.036 . 0 0 "[ . 1 . 2]" 1
625 1 80 TYR QE 1 118 LEU QD . . 5.220 4.037 2.897 5.061 . 0 0 "[ . 1 . 2]" 1
626 1 80 TYR QE 1 121 THR H . . 5.500 5.709 5.362 6.348 0.848 14 2 "[ - . 1 +. 2]" 1
627 1 80 TYR QE 1 121 THR HB . . 5.180 3.614 2.827 4.915 . 0 0 "[ . 1 . 2]" 1
628 1 80 TYR QE 1 121 THR MG . . 4.200 2.439 2.080 3.569 . 0 0 "[ . 1 . 2]" 1
629 1 80 TYR QE 1 122 GLU H . . 4.740 4.165 3.307 4.635 . 0 0 "[ . 1 . 2]" 1
630 1 80 TYR QE 1 122 GLU HA . . 4.420 2.936 2.441 3.735 . 0 0 "[ . 1 . 2]" 1
631 1 80 TYR QE 1 124 MET H . . 5.500 5.492 4.824 5.750 0.250 17 0 "[ . 1 . 2]" 1
632 1 81 PHE H 1 81 PHE QD . . 4.620 2.992 2.434 3.523 . 0 0 "[ . 1 . 2]" 1
633 1 81 PHE H 1 82 MET H . . 4.510 4.393 4.310 4.616 0.106 12 0 "[ . 1 . 2]" 1
634 1 81 PHE H 1 82 MET HA . . 4.850 4.907 4.608 5.598 0.748 12 1 "[ . 1 + . 2]" 1
635 1 81 PHE HA 1 82 MET ME . . 4.900 3.215 2.297 3.889 . 0 0 "[ . 1 . 2]" 1
636 1 81 PHE QD 1 82 MET H . . 4.710 3.153 2.446 4.164 . 0 0 "[ . 1 . 2]" 1
637 1 81 PHE QE 1 175 LEU QD . . 3.680 2.843 2.271 3.480 . 0 0 "[ . 1 . 2]" 1
638 1 82 MET H 1 82 MET ME . . 4.400 2.886 2.539 3.353 . 0 0 "[ . 1 . 2]" 1
639 1 82 MET ME 1 83 LYS H . . 5.200 5.364 4.907 5.685 0.485 3 0 "[ . 1 . 2]" 1
640 1 82 MET ME 1 92 THR HB . . 3.420 3.229 2.458 4.388 0.968 5 1 "[ + 1 . 2]" 1
641 1 82 MET ME 1 93 ILE H . . 4.030 3.798 3.229 4.496 0.466 5 0 "[ . 1 . 2]" 1
642 1 82 MET ME 1 93 ILE MD . . 2.740 2.287 1.927 3.301 0.561 5 1 "[ + 1 . 2]" 1
643 1 82 MET ME 1 96 ILE MG . . 3.240 2.838 2.165 3.679 0.439 13 0 "[ . 1 . 2]" 1
644 1 83 LYS H 1 130 ALA MB . . 4.050 3.851 3.022 4.426 0.376 11 0 "[ . 1 . 2]" 1
645 1 85 THR H 1 85 THR HB . . 4.150 3.075 2.524 3.741 . 0 0 "[ . 1 . 2]" 1
646 1 85 THR H 1 85 THR MG . . 4.100 2.770 2.020 3.880 . 0 0 "[ . 1 . 2]" 1
647 1 85 THR H 1 86 ILE H . . 4.890 4.554 4.280 4.693 . 0 0 "[ . 1 . 2]" 1
648 1 85 THR HA 1 85 THR MG . . 3.550 2.689 2.201 3.270 . 0 0 "[ . 1 . 2]" 1
649 1 85 THR HA 1 86 ILE HB . . 4.900 4.678 4.358 5.173 0.273 1 0 "[ . 1 . 2]" 1
650 1 85 THR HA 1 87 GLY H . . 4.550 4.406 4.153 5.235 0.685 8 1 "[ . + 1 . 2]" 1
651 1 85 THR HB 1 86 ILE H . . 4.210 3.239 2.114 3.756 . 0 0 "[ . 1 . 2]" 1
652 1 86 ILE H 1 86 ILE MD . . 4.380 3.953 3.020 4.424 0.044 2 0 "[ . 1 . 2]" 1
653 1 86 ILE H 1 86 ILE MG . . 3.740 2.549 1.930 3.816 0.076 1 0 "[ . 1 . 2]" 1
654 1 86 ILE H 1 133 PHE QD . . 4.740 4.318 2.567 5.145 0.405 16 0 "[ . 1 . 2]" 1
655 1 86 ILE H 1 140 GLN QE . . 5.340 5.360 3.268 6.727 1.387 1 7 "[+* .* *1 * .* -]" 1
656 1 86 ILE HA 1 86 ILE MD . . 4.530 2.588 2.072 3.918 . 0 0 "[ . 1 . 2]" 1
657 1 86 ILE HA 1 130 ALA MB . . 5.500 5.578 4.597 6.158 0.658 16 4 "[* *. - .+ 2]" 1
658 1 86 ILE HB 1 133 PHE QD . . 5.130 4.571 2.421 5.408 0.278 1 0 "[ . 1 . 2]" 1
659 1 86 ILE HB 1 140 GLN QE . . 4.340 3.819 2.289 6.102 1.762 1 2 "[+ . 1 - . 2]" 1
660 1 86 ILE MD 1 86 ILE MG . . 3.280 2.771 2.106 3.298 0.018 9 0 "[ . 1 . 2]" 1
661 1 86 ILE MD 1 130 ALA MB . . 5.500 5.511 4.350 6.354 0.854 2 4 "[ + *. 1 *. -]" 1
662 1 86 ILE MD 1 134 GLU HA . . 3.470 2.222 2.047 3.306 . 0 0 "[ . 1 . 2]" 1
663 1 86 ILE MD 1 136 ASN H . . 5.220 5.395 4.329 6.039 0.819 4 7 "[ +* * ** . * -2]" 1
664 1 86 ILE MD 1 140 GLN HE21 . . 4.740 3.682 2.014 4.888 0.148 19 0 "[ . 1 . 2]" 1
665 1 86 ILE MD 1 140 GLN QE . . 3.990 3.130 2.000 4.160 0.170 19 0 "[ . 1 . 2]" 1
666 1 86 ILE MD 1 140 GLN HE22 . . 4.740 3.526 2.107 4.738 . 0 0 "[ . 1 . 2]" 1
667 1 86 ILE MG 1 87 GLY H . . 4.370 2.981 2.286 4.357 . 0 0 "[ . 1 . 2]" 1
668 1 89 SER H 1 90 CYS H . . 4.560 3.852 2.615 4.682 0.122 16 0 "[ . 1 . 2]" 1
669 1 91 GLY H 1 92 THR H . . 4.410 2.928 2.234 3.340 . 0 0 "[ . 1 . 2]" 1
670 1 92 THR H 1 92 THR MG . . 4.080 2.705 2.158 3.728 . 0 0 "[ . 1 . 2]" 1
671 1 92 THR H 1 93 ILE H . . 4.540 2.952 2.739 3.406 . 0 0 "[ . 1 . 2]" 1
672 1 92 THR H 1 94 GLY H . . 4.930 4.494 4.222 4.743 . 0 0 "[ . 1 . 2]" 1
673 1 92 THR HA 1 92 THR MG . . 3.310 2.264 2.152 2.348 . 0 0 "[ . 1 . 2]" 1
674 1 92 THR HA 1 96 ILE H . . 4.300 3.612 3.362 3.841 . 0 0 "[ . 1 . 2]" 1
675 1 92 THR HA 1 96 ILE MD . . 5.050 3.340 2.757 4.061 . 0 0 "[ . 1 . 2]" 1
676 1 92 THR HB 1 93 ILE H . . 5.500 3.150 2.666 3.742 . 0 0 "[ . 1 . 2]" 1
677 1 92 THR HB 1 93 ILE HA . . 4.600 4.269 3.946 4.744 0.144 2 0 "[ . 1 . 2]" 1
678 1 92 THR HB 1 93 ILE MD . . 3.920 3.674 2.685 4.445 0.525 16 1 "[ . 1 .+ 2]" 1
679 1 92 THR HB 1 96 ILE MD . . 5.400 2.578 2.168 4.052 . 0 0 "[ . 1 . 2]" 1
680 1 92 THR HB 1 96 ILE MG . . 5.500 5.339 4.810 6.446 0.946 17 2 "[ -. 1 . + 2]" 1
681 1 92 THR MG 1 93 ILE H . . 4.590 4.006 3.811 4.298 . 0 0 "[ . 1 . 2]" 1
682 1 92 THR MG 1 96 ILE H . . 4.960 4.746 3.680 5.210 0.250 7 0 "[ . 1 . 2]" 1
683 1 92 THR MG 1 96 ILE MD . . 3.160 2.828 2.016 3.448 0.288 1 0 "[ . 1 . 2]" 1
684 1 92 THR MG 1 133 PHE QE . . 3.660 3.412 2.728 4.117 0.457 18 0 "[ . 1 . 2]" 1
685 1 93 ILE H 1 93 ILE HB . . 3.920 2.509 2.284 2.749 . 0 0 "[ . 1 . 2]" 1
686 1 93 ILE H 1 93 ILE MD . . 3.900 2.611 1.788 3.746 . 0 0 "[ . 1 . 2]" 1
687 1 93 ILE H 1 93 ILE MG . . 3.980 3.803 3.738 3.858 . 0 0 "[ . 1 . 2]" 1
688 1 93 ILE H 1 94 GLY H . . 4.470 2.958 2.862 3.104 . 0 0 "[ . 1 . 2]" 1
689 1 93 ILE HA 1 93 ILE MD . . 3.520 2.572 2.107 3.101 . 0 0 "[ . 1 . 2]" 1
690 1 93 ILE HA 1 93 ILE MG . . 3.620 2.502 2.356 2.726 . 0 0 "[ . 1 . 2]" 1
691 1 93 ILE HA 1 95 LEU H . . 4.880 4.819 4.655 4.985 0.105 13 0 "[ . 1 . 2]" 1
692 1 93 ILE HA 1 96 ILE HB . . 4.700 3.099 2.677 3.622 . 0 0 "[ . 1 . 2]" 1
693 1 93 ILE HA 1 96 ILE MD . . 4.000 3.668 2.915 4.394 0.394 17 0 "[ . 1 . 2]" 1
694 1 93 ILE HA 1 96 ILE MG . . 4.350 4.134 3.606 4.707 0.357 2 0 "[ . 1 . 2]" 1
695 1 93 ILE HA 1 97 HIS H . . 4.120 3.766 3.575 3.990 . 0 0 "[ . 1 . 2]" 1
696 1 93 ILE HA 1 164 LEU QD . . 4.570 4.265 3.957 4.673 0.103 5 0 "[ . 1 . 2]" 1
697 1 93 ILE HB 1 94 GLY H . . 4.360 2.566 2.270 2.870 . 0 0 "[ . 1 . 2]" 1
698 1 93 ILE HB 1 94 GLY HA2 . . 5.500 4.582 4.331 4.904 . 0 0 "[ . 1 . 2]" 1
699 1 93 ILE MG 1 94 GLY H . . 4.300 3.163 2.840 3.438 . 0 0 "[ . 1 . 2]" 1
700 1 93 ILE MG 1 94 GLY HA2 . . 4.050 3.452 3.209 3.662 . 0 0 "[ . 1 . 2]" 1
701 1 93 ILE MG 1 97 HIS H . . 4.520 4.189 3.824 4.441 . 0 0 "[ . 1 . 2]" 1
702 1 93 ILE MG 1 164 LEU H . . 4.860 4.229 3.570 4.810 . 0 0 "[ . 1 . 2]" 1
703 1 93 ILE MG 1 164 LEU HA . . 4.680 4.611 4.124 5.309 0.629 7 2 "[ - + 1 . 2]" 1
704 1 93 ILE MG 1 164 LEU QD . . 3.540 2.058 1.925 2.290 . 0 0 "[ . 1 . 2]" 1
705 1 93 ILE MG 1 165 PHE H . . 5.500 5.919 5.456 6.474 0.974 9 6 "[* * **+- . 2]" 1
706 1 94 GLY H 1 97 HIS H . . 5.240 4.803 4.681 4.903 . 0 0 "[ . 1 . 2]" 1
707 1 94 GLY H 1 164 LEU QD . . 4.380 3.774 3.406 4.267 . 0 0 "[ . 1 . 2]" 1
708 1 94 GLY HA2 1 164 LEU QD . . 4.630 2.416 1.992 2.863 . 0 0 "[ . 1 . 2]" 1
709 1 95 LEU H 1 95 LEU MD1 . . 3.900 3.451 3.173 3.887 . 0 0 "[ . 1 . 2]" 1
710 1 95 LEU H 1 95 LEU MD2 . . 3.900 3.446 2.756 3.736 . 0 0 "[ . 1 . 2]" 1
711 1 95 LEU H 1 95 LEU HG . . 3.690 2.260 2.102 2.354 . 0 0 "[ . 1 . 2]" 1
712 1 95 LEU H 1 96 ILE H . . 5.110 2.888 2.782 3.027 . 0 0 "[ . 1 . 2]" 1
713 1 95 LEU H 1 96 ILE MD . . 5.090 4.973 4.095 5.501 0.411 11 0 "[ . 1 . 2]" 1
714 1 95 LEU HA 1 95 LEU QD . . 3.780 2.188 2.123 2.301 . 0 0 "[ . 1 . 2]" 1
715 1 95 LEU HA 1 96 ILE HA . . 5.500 4.829 4.774 4.911 . 0 0 "[ . 1 . 2]" 1
716 1 95 LEU HA 1 99 VAL H . . 4.520 4.055 3.689 4.327 . 0 0 "[ . 1 . 2]" 1
717 1 95 LEU HA 1 219 LEU HG . . 5.500 4.966 4.546 5.566 0.066 6 0 "[ . 1 . 2]" 1
718 1 95 LEU QD 1 96 ILE H . . 4.330 3.977 3.862 4.196 . 0 0 "[ . 1 . 2]" 1
719 1 95 LEU HG 1 96 ILE H . . 4.300 4.385 4.075 4.531 0.231 16 0 "[ . 1 . 2]" 1
720 1 96 ILE H 1 96 ILE HB . . 4.160 2.361 2.265 2.453 . 0 0 "[ . 1 . 2]" 1
721 1 96 ILE H 1 96 ILE MD . . 3.780 3.079 2.189 3.528 . 0 0 "[ . 1 . 2]" 1
722 1 96 ILE H 1 96 ILE MG . . 3.950 3.757 3.709 3.796 . 0 0 "[ . 1 . 2]" 1
723 1 96 ILE H 1 97 HIS H . . 3.930 2.839 2.695 2.902 . 0 0 "[ . 1 . 2]" 1
724 1 96 ILE H 1 99 VAL H . . 4.950 4.913 4.809 5.101 0.151 17 0 "[ . 1 . 2]" 1
725 1 96 ILE HA 1 96 ILE MD . . 4.250 3.575 2.694 3.901 . 0 0 "[ . 1 . 2]" 1
726 1 96 ILE HA 1 96 ILE MG . . 3.410 2.565 2.419 2.764 . 0 0 "[ . 1 . 2]" 1
727 1 96 ILE HA 1 99 VAL HB . . 4.030 3.184 2.655 4.623 0.593 17 1 "[ . 1 . + 2]" 1
728 1 96 ILE HA 1 99 VAL QG . . 4.070 3.358 2.027 3.944 . 0 0 "[ . 1 . 2]" 1
729 1 96 ILE HB 1 96 ILE MD . . 3.340 2.374 2.275 2.510 . 0 0 "[ . 1 . 2]" 1
730 1 96 ILE HB 1 97 HIS H . . 5.030 2.735 2.485 3.012 . 0 0 "[ . 1 . 2]" 1
731 1 96 ILE MD 1 96 ILE MG . . 2.920 2.453 2.053 3.271 0.351 17 0 "[ . 1 . 2]" 1
732 1 96 ILE MD 1 97 HIS H . . 4.760 4.535 4.336 4.775 0.015 9 0 "[ . 1 . 2]" 1
733 1 96 ILE MD 1 117 PHE QD . . 4.900 4.266 3.367 5.066 0.166 16 0 "[ . 1 . 2]" 1
734 1 96 ILE MD 1 133 PHE QE . . 3.630 2.632 2.051 3.529 . 0 0 "[ . 1 . 2]" 1
735 1 96 ILE MG 1 97 HIS H . . 3.680 3.130 2.927 3.492 . 0 0 "[ . 1 . 2]" 1
736 1 96 ILE MG 1 97 HIS HA . . 3.860 3.352 3.122 3.684 . 0 0 "[ . 1 . 2]" 1
737 1 96 ILE MG 1 117 PHE QD . . 4.470 4.426 3.914 5.116 0.646 6 1 "[ .+ 1 . 2]" 1
738 1 97 HIS H 1 98 ALA H . . 4.070 2.870 2.770 2.961 . 0 0 "[ . 1 . 2]" 1
739 1 97 HIS H 1 164 LEU QD . . 4.580 3.973 3.757 4.195 . 0 0 "[ . 1 . 2]" 1
740 1 98 ALA H 1 98 ALA MB . . 2.960 2.225 2.208 2.241 . 0 0 "[ . 1 . 2]" 1
741 1 98 ALA H 1 99 VAL HA . . 5.230 5.537 5.492 5.604 0.374 8 0 "[ . 1 . 2]" 1
742 1 98 ALA H 1 100 ALA H . . 4.410 4.284 4.101 4.545 0.135 18 0 "[ . 1 . 2]" 1
743 1 98 ALA H 1 102 ASN QD . . 5.340 4.862 4.613 5.204 . 0 0 "[ . 1 . 2]" 1
744 1 98 ALA H 1 219 LEU QD . . 5.440 4.333 4.022 4.927 . 0 0 "[ . 1 . 2]" 1
745 1 98 ALA HA 1 101 ASN H . . 4.100 4.060 3.847 4.243 0.143 12 0 "[ . 1 . 2]" 1
746 1 98 ALA MB 1 99 VAL HA . . 4.350 3.952 3.838 4.040 . 0 0 "[ . 1 . 2]" 1
747 1 98 ALA MB 1 101 ASN H . . 4.980 5.103 4.914 5.213 0.233 14 0 "[ . 1 . 2]" 1
748 1 98 ALA MB 1 102 ASN QD . . 4.680 3.028 2.469 3.383 . 0 0 "[ . 1 . 2]" 1
749 1 98 ALA MB 1 219 LEU QD . . 3.230 2.138 2.016 2.538 . 0 0 "[ . 1 . 2]" 1
750 1 99 VAL H 1 99 VAL HB . . 3.860 2.574 2.411 2.727 . 0 0 "[ . 1 . 2]" 1
751 1 99 VAL H 1 99 VAL QG . . 3.280 2.194 2.044 2.296 . 0 0 "[ . 1 . 2]" 1
752 1 99 VAL H 1 100 ALA H . . 4.100 2.828 2.751 2.955 . 0 0 "[ . 1 . 2]" 1
753 1 99 VAL H 1 106 LEU MD1 . . 5.010 4.373 4.089 4.630 . 0 0 "[ . 1 . 2]" 1
754 1 99 VAL H 1 106 LEU QD . . 4.370 3.801 3.222 4.215 . 0 0 "[ . 1 . 2]" 1
755 1 99 VAL H 1 106 LEU MD2 . . 5.010 4.194 3.372 4.850 . 0 0 "[ . 1 . 2]" 1
756 1 99 VAL HA 1 99 VAL QG . . 3.330 2.150 2.075 2.264 . 0 0 "[ . 1 . 2]" 1
757 1 99 VAL HA 1 101 ASN H . . 5.260 4.971 4.501 5.285 0.025 19 0 "[ . 1 . 2]" 1
758 1 99 VAL HA 1 102 ASN HB2 . . 4.890 3.913 3.351 4.554 . 0 0 "[ . 1 . 2]" 1
759 1 99 VAL HA 1 102 ASN QD . . 4.820 4.638 4.166 5.595 0.775 9 1 "[ . +1 . 2]" 1
760 1 99 VAL HA 1 103 GLN HA . . 4.190 3.711 3.382 4.019 . 0 0 "[ . 1 . 2]" 1
761 1 99 VAL HA 1 106 LEU MD1 . . 3.610 2.502 2.123 2.804 . 0 0 "[ . 1 . 2]" 1
762 1 99 VAL HA 1 106 LEU QD . . 3.070 2.261 1.956 2.520 . 0 0 "[ . 1 . 2]" 1
763 1 99 VAL HA 1 106 LEU MD2 . . 3.610 2.665 2.082 3.180 . 0 0 "[ . 1 . 2]" 1
764 1 99 VAL HB 1 100 ALA H . . 4.030 2.973 2.420 4.214 0.184 3 0 "[ . 1 . 2]" 1
765 1 99 VAL QG 1 102 ASN H . . 4.770 4.744 4.091 5.109 0.339 9 0 "[ . 1 . 2]" 1
766 1 99 VAL QG 1 102 ASN QD . . 5.050 5.073 4.617 5.680 0.630 9 1 "[ . +1 . 2]" 1
767 1 99 VAL QG 1 103 GLN HA . . 4.350 3.308 2.555 3.685 . 0 0 "[ . 1 . 2]" 1
768 1 99 VAL QG 1 103 GLN HE21 . . 5.500 5.369 4.680 5.967 0.467 2 0 "[ . 1 . 2]" 1
769 1 99 VAL QG 1 106 LEU MD1 . . 3.130 3.115 2.472 3.473 0.343 9 0 "[ . 1 . 2]" 1
770 1 99 VAL QG 1 106 LEU QD . . 2.650 2.041 1.896 2.360 . 0 0 "[ . 1 . 2]" 1
771 1 99 VAL QG 1 106 LEU MD2 . . 3.130 2.073 1.918 2.414 . 0 0 "[ . 1 . 2]" 1
772 1 100 ALA H 1 100 ALA MB . . 3.270 2.221 2.162 2.256 . 0 0 "[ . 1 . 2]" 1
773 1 100 ALA H 1 101 ASN H . . 4.230 2.845 2.757 2.997 . 0 0 "[ . 1 . 2]" 1
774 1 100 ALA H 1 101 ASN HA . . 5.390 5.475 5.382 5.606 0.216 14 0 "[ . 1 . 2]" 1
775 1 100 ALA H 1 102 ASN H . . 4.840 4.145 3.864 4.421 . 0 0 "[ . 1 . 2]" 1
776 1 100 ALA H 1 118 LEU QD . . 4.290 3.052 2.402 4.000 . 0 0 "[ . 1 . 2]" 1
777 1 100 ALA HA 1 103 GLN H . . 4.940 4.051 3.716 4.297 . 0 0 "[ . 1 . 2]" 1
778 1 100 ALA HA 1 103 GLN HE21 . . 4.600 4.327 2.933 5.253 0.653 5 1 "[ + 1 . 2]" 1
779 1 100 ALA HA 1 103 GLN HE22 . . 5.500 4.491 3.702 4.942 . 0 0 "[ . 1 . 2]" 1
780 1 100 ALA HA 1 118 LEU QD . . 3.770 2.563 2.045 3.855 0.085 18 0 "[ . 1 . 2]" 1
781 1 100 ALA MB 1 101 ASN H . . 3.700 2.311 2.173 2.578 . 0 0 "[ . 1 . 2]" 1
782 1 100 ALA MB 1 103 GLN HE21 . . 5.500 5.259 3.815 6.175 0.675 5 2 "[ -+ 1 . 2]" 1
783 1 100 ALA MB 1 103 GLN HE22 . . 5.470 5.173 4.347 5.744 0.274 3 0 "[ . 1 . 2]" 1
784 1 100 ALA MB 1 118 LEU HG . . 3.420 3.046 2.463 3.769 0.349 5 0 "[ . 1 . 2]" 1
785 1 101 ASN H 1 102 ASN H . . 3.780 2.727 2.678 2.783 . 0 0 "[ . 1 . 2]" 1
786 1 101 ASN H 1 106 LEU QD . . 5.440 5.363 4.986 5.712 0.272 13 0 "[ . 1 . 2]" 1
787 1 101 ASN H 1 118 LEU QD . . 5.440 4.732 4.436 5.513 0.073 18 0 "[ . 1 . 2]" 1
788 1 102 ASN H 1 103 GLN H . . 4.080 2.753 2.514 2.993 . 0 0 "[ . 1 . 2]" 1
789 1 102 ASN H 1 106 LEU QD . . 4.010 3.718 3.467 3.948 . 0 0 "[ . 1 . 2]" 1
790 1 102 ASN HA 1 104 ASP H . . 4.090 3.804 3.605 4.036 . 0 0 "[ . 1 . 2]" 1
791 1 102 ASN HA 1 105 LYS H . . 5.040 3.636 3.491 3.848 . 0 0 "[ . 1 . 2]" 1
792 1 102 ASN HA 1 106 LEU QD . . 4.470 4.057 3.827 4.209 . 0 0 "[ . 1 . 2]" 1
793 1 102 ASN HB2 1 106 LEU HA . . 5.470 5.743 5.427 6.005 0.535 1 1 "[+ . 1 . 2]" 1
794 1 102 ASN HB2 1 106 LEU QD . . 3.640 2.224 2.106 2.415 . 0 0 "[ . 1 . 2]" 1
795 1 102 ASN HB2 1 106 LEU HG . . 5.500 4.851 4.658 5.048 . 0 0 "[ . 1 . 2]" 1
796 1 102 ASN QD 1 106 LEU QD . . 5.270 3.265 2.960 3.648 . 0 0 "[ . 1 . 2]" 1
797 1 103 GLN H 1 104 ASP H . . 4.010 3.013 2.848 3.138 . 0 0 "[ . 1 . 2]" 1
798 1 103 GLN H 1 105 LYS H . . 4.880 4.187 4.111 4.240 . 0 0 "[ . 1 . 2]" 1
799 1 103 GLN H 1 106 LEU H . . 5.020 5.097 4.971 5.278 0.258 4 0 "[ . 1 . 2]" 1
800 1 103 GLN H 1 106 LEU QD . . 5.200 4.123 3.914 4.274 . 0 0 "[ . 1 . 2]" 1
801 1 103 GLN HA 1 104 ASP HA . . 4.760 4.786 4.733 4.843 0.083 3 0 "[ . 1 . 2]" 1
802 1 103 GLN HA 1 105 LYS H . . 4.450 3.915 3.641 4.166 . 0 0 "[ . 1 . 2]" 1
803 1 103 GLN HA 1 106 LEU H . . 4.230 3.800 3.447 3.985 . 0 0 "[ . 1 . 2]" 1
804 1 103 GLN HA 1 106 LEU QD . . 3.930 3.206 2.881 3.456 . 0 0 "[ . 1 . 2]" 1
805 1 103 GLN HE22 1 118 LEU QD . . 4.460 4.287 3.366 5.066 0.606 9 3 "[ -. *+1 . 2]" 1
806 1 104 ASP H 1 105 LYS H . . 3.740 2.582 2.432 2.669 . 0 0 "[ . 1 . 2]" 1
807 1 104 ASP H 1 106 LEU H . . 4.520 4.408 4.256 4.543 0.023 15 0 "[ . 1 . 2]" 1
808 1 104 ASP H 1 106 LEU QD . . 5.270 4.940 4.809 5.110 . 0 0 "[ . 1 . 2]" 1
809 1 105 LYS H 1 106 LEU H . . 3.760 2.275 2.124 2.441 . 0 0 "[ . 1 . 2]" 1
810 1 105 LYS H 1 106 LEU QD . . 4.620 3.676 3.505 3.850 . 0 0 "[ . 1 . 2]" 1
811 1 106 LEU H 1 106 LEU MD1 . . 4.870 2.401 2.274 2.502 . 0 0 "[ . 1 . 2]" 1
812 1 106 LEU H 1 106 LEU QD . . 3.400 2.387 2.263 2.484 . 0 0 "[ . 1 . 2]" 1
813 1 106 LEU H 1 106 LEU MD2 . . 4.870 4.170 4.081 4.255 . 0 0 "[ . 1 . 2]" 1
814 1 106 LEU H 1 106 LEU HG . . 4.670 3.850 3.599 4.011 . 0 0 "[ . 1 . 2]" 1
815 1 106 LEU H 1 107 GLY H . . 4.680 4.185 2.701 4.660 . 0 0 "[ . 1 . 2]" 1
816 1 106 LEU HA 1 106 LEU MD1 . . 4.150 2.952 2.700 3.198 . 0 0 "[ . 1 . 2]" 1
817 1 106 LEU HA 1 106 LEU QD . . 3.620 2.827 2.637 2.973 . 0 0 "[ . 1 . 2]" 1
818 1 106 LEU HA 1 106 LEU MD2 . . 4.150 3.650 3.522 3.715 . 0 0 "[ . 1 . 2]" 1
819 1 106 LEU HA 1 106 LEU HG . . 4.030 2.310 2.241 2.367 . 0 0 "[ . 1 . 2]" 1
820 1 106 LEU QD 1 107 GLY H . . 4.560 4.156 3.475 4.471 . 0 0 "[ . 1 . 2]" 1
821 1 106 LEU QD 1 108 PHE H . . 5.390 4.383 3.783 4.964 . 0 0 "[ . 1 . 2]" 1
822 1 106 LEU QD 1 108 PHE QD . . 3.610 2.591 2.188 3.387 . 0 0 "[ . 1 . 2]" 1
823 1 106 LEU QD 1 108 PHE QE . . 5.030 2.538 2.087 3.602 . 0 0 "[ . 1 . 2]" 1
824 1 106 LEU MD1 1 107 GLY H . . 5.250 4.696 4.350 4.982 . 0 0 "[ . 1 . 2]" 1
825 1 106 LEU MD2 1 107 GLY H . . 5.250 4.712 3.599 5.322 0.072 7 0 "[ . 1 . 2]" 1
826 1 106 LEU HG 1 107 GLY H . . 5.270 4.216 3.479 5.128 . 0 0 "[ . 1 . 2]" 1
827 1 106 LEU HG 1 108 PHE QD . . 5.500 4.346 3.585 4.960 . 0 0 "[ . 1 . 2]" 1
828 1 106 LEU HG 1 108 PHE QE . . 5.350 4.812 4.175 5.647 0.297 3 0 "[ . 1 . 2]" 1
829 1 107 GLY H 1 108 PHE H . . 4.260 3.147 2.540 3.849 . 0 0 "[ . 1 . 2]" 1
830 1 108 PHE H 1 108 PHE QD . . 4.390 2.838 2.368 3.051 . 0 0 "[ . 1 . 2]" 1
831 1 108 PHE H 1 109 GLU H . . 4.890 4.626 4.350 4.680 . 0 0 "[ . 1 . 2]" 1
832 1 108 PHE QD 1 109 GLU H . . 4.250 3.778 3.376 4.348 0.098 12 0 "[ . 1 . 2]" 1
833 1 109 GLU HA 1 110 ASP H . . 3.050 2.491 2.192 2.604 . 0 0 "[ . 1 . 2]" 1
834 1 111 GLY H 1 112 SER H . . 5.090 2.493 1.769 3.620 . 0 0 "[ . 1 . 2]" 1
835 1 112 SER H 1 113 VAL H . . 4.700 4.145 3.395 4.641 . 0 0 "[ . 1 . 2]" 1
836 1 112 SER HA 1 113 VAL HB . . 4.810 4.697 4.459 4.982 0.172 18 0 "[ . 1 . 2]" 1
837 1 112 SER HA 1 113 VAL QG . . 4.350 3.704 3.360 3.893 . 0 0 "[ . 1 . 2]" 1
838 1 112 SER HA 1 114 LEU H . . 3.780 3.668 3.346 3.936 0.156 7 0 "[ . 1 . 2]" 1
839 1 112 SER HA 1 114 LEU HG . . 4.740 4.952 3.988 5.662 0.922 9 3 "[ * +1 . -]" 1
840 1 113 VAL H 1 113 VAL HB . . 3.940 2.554 2.347 2.881 . 0 0 "[ . 1 . 2]" 1
841 1 113 VAL H 1 113 VAL MG1 . . 4.150 2.465 1.977 3.891 . 0 0 "[ . 1 . 2]" 1
842 1 113 VAL H 1 113 VAL QG . . 3.080 2.183 1.881 2.507 . 0 0 "[ . 1 . 2]" 1
843 1 113 VAL H 1 113 VAL MG2 . . 4.150 3.544 1.886 3.893 . 0 0 "[ . 1 . 2]" 1
844 1 113 VAL H 1 114 LEU H . . 4.380 2.807 2.271 3.043 . 0 0 "[ . 1 . 2]" 1
845 1 113 VAL H 1 114 LEU HG . . 4.280 4.472 3.703 4.882 0.602 9 3 "[ - . +1 . * 2]" 1
846 1 113 VAL HA 1 113 VAL QG . . 3.060 2.268 2.120 2.360 . 0 0 "[ . 1 . 2]" 1
847 1 113 VAL HA 1 115 LYS H . . 4.600 4.164 3.838 4.437 . 0 0 "[ . 1 . 2]" 1
848 1 113 VAL HA 1 116 GLN H . . 4.590 3.453 3.226 3.741 . 0 0 "[ . 1 . 2]" 1
849 1 113 VAL HA 1 117 PHE H . . 4.450 4.063 3.867 4.255 . 0 0 "[ . 1 . 2]" 1
850 1 113 VAL HA 1 117 PHE HB2 . . 5.290 4.900 4.619 5.218 . 0 0 "[ . 1 . 2]" 1
851 1 113 VAL HA 1 138 ALA MB . . 5.500 5.213 4.399 5.985 0.485 7 0 "[ . 1 . 2]" 1
852 1 113 VAL QG 1 114 LEU H . . 3.390 2.533 2.211 3.524 0.134 16 0 "[ . 1 . 2]" 1
853 1 113 VAL QG 1 114 LEU HA . . 4.540 3.343 3.116 3.988 . 0 0 "[ . 1 . 2]" 1
854 1 113 VAL QG 1 117 PHE HA . . 5.030 4.595 4.316 4.934 . 0 0 "[ . 1 . 2]" 1
855 1 113 VAL QG 1 138 ALA MB . . 2.780 2.329 1.943 2.863 0.083 7 0 "[ . 1 . 2]" 1
856 1 113 VAL QG 1 139 ILE H . . 4.430 3.113 2.349 3.646 . 0 0 "[ . 1 . 2]" 1
857 1 113 VAL QG 1 139 ILE MD . . 3.140 2.268 2.090 2.541 . 0 0 "[ . 1 . 2]" 1
858 1 113 VAL QG 1 139 ILE HG12 . . 4.280 2.133 1.991 2.464 . 0 0 "[ . 1 . 2]" 1
859 1 113 VAL QG 1 139 ILE MG . . 3.210 3.530 3.134 3.945 0.735 7 3 "[ * + 1 . - 2]" 1
860 1 113 VAL MG1 1 138 ALA MB . . 3.490 2.927 2.337 3.644 0.154 9 0 "[ . 1 . 2]" 1
861 1 113 VAL MG1 1 139 ILE MD . . 3.620 2.771 2.096 3.415 . 0 0 "[ . 1 . 2]" 1
862 1 113 VAL MG2 1 138 ALA MB . . 3.490 2.495 2.024 3.132 . 0 0 "[ . 1 . 2]" 1
863 1 113 VAL MG2 1 139 ILE MD . . 3.620 2.701 2.212 4.506 0.886 5 1 "[ + 1 . 2]" 1
864 1 114 LEU H 1 114 LEU QD . . 3.510 3.046 2.852 3.237 . 0 0 "[ . 1 . 2]" 1
865 1 114 LEU HA 1 114 LEU QD . . 3.620 2.209 2.080 3.402 . 0 0 "[ . 1 . 2]" 1
866 1 114 LEU HA 1 117 PHE HB2 . . 5.290 3.228 2.867 3.422 . 0 0 "[ . 1 . 2]" 1
867 1 114 LEU HA 1 118 LEU QD . . 4.510 3.381 2.921 4.285 . 0 0 "[ . 1 . 2]" 1
868 1 114 LEU HA 1 139 ILE MD . . 4.800 3.526 2.675 4.335 . 0 0 "[ . 1 . 2]" 1
869 1 114 LEU HG 1 115 LYS H . . 4.420 4.398 2.777 4.767 0.347 17 0 "[ . 1 . 2]" 1
870 1 115 LYS H 1 116 GLN H . . 4.170 2.817 2.646 2.948 . 0 0 "[ . 1 . 2]" 1
871 1 115 LYS H 1 117 PHE H . . 4.480 4.209 4.006 4.382 . 0 0 "[ . 1 . 2]" 1
872 1 115 LYS HA 1 115 LYS HG2 . . 4.000 2.908 2.308 3.853 . 0 0 "[ . 1 . 2]" 1
873 1 115 LYS HA 1 116 GLN HA . . 5.270 4.819 4.747 4.860 . 0 0 "[ . 1 . 2]" 1
874 1 115 LYS HA 1 118 LEU H . . 4.470 3.915 3.716 4.155 . 0 0 "[ . 1 . 2]" 1
875 1 115 LYS HA 1 118 LEU HB2 . . 5.210 3.280 2.962 3.892 . 0 0 "[ . 1 . 2]" 1
876 1 115 LYS HA 1 119 SER H . . 4.500 3.945 3.827 4.087 . 0 0 "[ . 1 . 2]" 1
877 1 116 GLN H 1 116 GLN HG2 . . 3.880 3.476 3.341 3.655 . 0 0 "[ . 1 . 2]" 1
878 1 116 GLN H 1 117 PHE H . . 3.700 2.756 2.553 2.861 . 0 0 "[ . 1 . 2]" 1
879 1 116 GLN HA 1 116 GLN HG2 . . 3.530 2.452 2.349 2.559 . 0 0 "[ . 1 . 2]" 1
880 1 116 GLN HA 1 117 PHE HA . . 5.500 4.867 4.811 4.937 . 0 0 "[ . 1 . 2]" 1
881 1 117 PHE H 1 118 LEU H . . 4.360 2.995 2.889 3.115 . 0 0 "[ . 1 . 2]" 1
882 1 117 PHE H 1 118 LEU HA . . 5.500 5.563 5.517 5.637 0.137 19 0 "[ . 1 . 2]" 1
883 1 117 PHE HA 1 117 PHE QD . . 3.930 2.757 2.294 3.157 . 0 0 "[ . 1 . 2]" 1
884 1 117 PHE HA 1 119 SER H . . 4.670 4.663 4.492 4.868 0.198 7 0 "[ . 1 . 2]" 1
885 1 117 PHE HA 1 120 GLU H . . 3.920 3.867 3.683 4.111 0.191 12 0 "[ . 1 . 2]" 1
886 1 117 PHE HA 1 139 ILE MD . . 5.480 4.498 3.974 4.970 . 0 0 "[ . 1 . 2]" 1
887 1 117 PHE HB2 1 118 LEU H . . 4.680 3.759 3.628 3.924 . 0 0 "[ . 1 . 2]" 1
888 1 117 PHE HB2 1 118 LEU HA . . 5.500 5.763 5.650 5.902 0.402 7 0 "[ . 1 . 2]" 1
889 1 117 PHE HB2 1 118 LEU HB2 . . 5.500 5.916 5.723 6.094 0.594 7 5 "[ * * + 1 -. *]" 1
890 1 117 PHE HB2 1 118 LEU QD . . 4.770 4.401 4.078 5.000 0.230 12 0 "[ . 1 . 2]" 1
891 1 117 PHE QD 1 118 LEU H . . 4.190 3.574 2.819 4.032 . 0 0 "[ . 1 . 2]" 1
892 1 117 PHE QD 1 118 LEU HA . . 4.580 3.814 2.914 4.751 0.171 6 0 "[ . 1 . 2]" 1
893 1 117 PHE QD 1 118 LEU QD . . 3.570 2.461 2.067 3.068 . 0 0 "[ . 1 . 2]" 1
894 1 117 PHE QD 1 139 ILE MD . . 3.550 2.722 2.073 3.212 . 0 0 "[ . 1 . 2]" 1
895 1 117 PHE QD 1 139 ILE HG12 . . 5.500 5.218 4.680 5.647 0.147 14 0 "[ . 1 . 2]" 1
896 1 118 LEU H 1 118 LEU HB2 . . 3.530 2.247 2.116 2.367 . 0 0 "[ . 1 . 2]" 1
897 1 118 LEU H 1 118 LEU MD1 . . 4.150 3.113 2.233 4.280 0.130 12 0 "[ . 1 . 2]" 1
898 1 118 LEU H 1 118 LEU MD2 . . 4.150 3.381 2.407 4.183 0.033 7 0 "[ . 1 . 2]" 1
899 1 118 LEU H 1 118 LEU HG . . 5.140 4.088 3.710 4.479 . 0 0 "[ . 1 . 2]" 1
900 1 118 LEU H 1 119 SER H . . 4.200 2.780 2.700 2.884 . 0 0 "[ . 1 . 2]" 1
901 1 118 LEU H 1 120 GLU H . . 4.710 4.511 4.304 4.733 0.023 4 0 "[ . 1 . 2]" 1
902 1 118 LEU H 1 121 THR H . . 5.500 4.872 4.680 5.149 . 0 0 "[ . 1 . 2]" 1
903 1 118 LEU HA 1 118 LEU MD1 . . 3.740 2.377 2.043 3.014 . 0 0 "[ . 1 . 2]" 1
904 1 118 LEU HA 1 118 LEU QD . . 3.160 2.298 1.930 2.878 . 0 0 "[ . 1 . 2]" 1
905 1 118 LEU HA 1 118 LEU MD2 . . 3.740 3.221 2.248 3.833 0.093 8 0 "[ . 1 . 2]" 1
906 1 118 LEU HA 1 121 THR H . . 4.570 3.461 3.216 3.717 . 0 0 "[ . 1 . 2]" 1
907 1 118 LEU HA 1 122 GLU H . . 4.560 3.714 3.341 4.147 . 0 0 "[ . 1 . 2]" 1
908 1 118 LEU HA 1 122 GLU HA . . 5.260 5.358 4.947 5.653 0.393 1 0 "[ . 1 . 2]" 1
909 1 118 LEU HB2 1 119 SER H . . 3.970 2.950 2.699 3.320 . 0 0 "[ . 1 . 2]" 1
910 1 118 LEU HB2 1 119 SER HA . . 5.500 4.854 4.656 5.239 . 0 0 "[ . 1 . 2]" 1
911 1 118 LEU QD 1 121 THR H . . 5.340 4.770 4.208 5.411 0.071 14 0 "[ . 1 . 2]" 1
912 1 118 LEU QD 1 121 THR HB . . 4.780 3.602 2.667 4.804 0.024 14 0 "[ . 1 . 2]" 1
913 1 118 LEU QD 1 122 GLU HA . . 4.970 5.077 3.655 5.890 0.920 13 9 "[ ** -* * 1 + .* **]" 1
914 1 118 LEU HG 1 121 THR HB . . 5.500 4.895 3.872 6.183 0.683 12 1 "[ . 1 + . 2]" 1
915 1 119 SER H 1 122 GLU H . . 4.670 4.873 4.766 4.954 0.284 18 0 "[ . 1 . 2]" 1
916 1 119 SER HA 1 122 GLU HB2 . . 4.070 3.710 2.500 5.049 0.979 5 2 "[ - + 1 . 2]" 1
917 1 120 GLU H 1 121 THR H . . 4.180 2.705 2.365 2.946 . 0 0 "[ . 1 . 2]" 1
918 1 120 GLU H 1 122 GLU H . . 4.250 4.262 4.040 4.422 0.172 4 0 "[ . 1 . 2]" 1
919 1 120 GLU H 1 124 MET ME . . 5.130 4.852 4.560 5.443 0.313 14 0 "[ . 1 . 2]" 1
920 1 120 GLU HA 1 121 THR HA . . 4.830 4.801 4.709 4.886 0.056 9 0 "[ . 1 . 2]" 1
921 1 120 GLU HA 1 124 MET ME . . 4.290 4.029 2.972 5.105 0.815 18 2 "[ . 1 .- + 2]" 1
922 1 121 THR H 1 121 THR MG . . 3.950 3.776 3.718 3.826 . 0 0 "[ . 1 . 2]" 1
923 1 121 THR H 1 123 LYS H . . 5.500 4.652 4.225 5.114 . 0 0 "[ . 1 . 2]" 1
924 1 121 THR H 1 124 MET ME . . 3.860 3.344 2.882 3.825 . 0 0 "[ . 1 . 2]" 1
925 1 121 THR HA 1 121 THR MG . . 3.170 2.416 2.263 2.624 . 0 0 "[ . 1 . 2]" 1
926 1 121 THR HA 1 122 GLU HA . . 5.500 4.958 4.832 5.090 . 0 0 "[ . 1 . 2]" 1
927 1 121 THR HA 1 124 MET ME . . 3.010 2.275 2.059 2.900 . 0 0 "[ . 1 . 2]" 1
928 1 121 THR HA 1 129 ARG H . . 5.500 5.663 5.080 6.071 0.571 9 3 "[ . +1 * .- 2]" 1
929 1 121 THR HB 1 122 GLU H . . 4.840 2.972 2.686 3.210 . 0 0 "[ . 1 . 2]" 1
930 1 121 THR HB 1 124 MET ME . . 4.480 4.361 3.984 5.264 0.784 6 1 "[ .+ 1 . 2]" 1
931 1 121 THR MG 1 122 GLU H . . 4.050 3.737 3.294 4.016 . 0 0 "[ . 1 . 2]" 1
932 1 121 THR MG 1 122 GLU HA . . 4.260 3.895 3.478 4.185 . 0 0 "[ . 1 . 2]" 1
933 1 121 THR MG 1 124 MET ME . . 3.440 3.363 2.798 4.414 0.974 6 3 "[ .+ *-1 . 2]" 1
934 1 121 THR MG 1 129 ARG H . . 4.530 3.765 3.096 5.205 0.675 9 1 "[ . +1 . 2]" 1
935 1 122 GLU H 1 122 GLU HB2 . . 3.710 2.492 2.177 3.581 . 0 0 "[ . 1 . 2]" 1
936 1 122 GLU H 1 123 LYS H . . 4.170 2.961 2.739 3.192 . 0 0 "[ . 1 . 2]" 1
937 1 122 GLU H 1 124 MET H . . 4.450 4.363 4.185 4.592 0.142 9 0 "[ . 1 . 2]" 1
938 1 122 GLU H 1 124 MET ME . . 4.740 4.880 4.744 5.168 0.428 16 0 "[ . 1 . 2]" 1
939 1 122 GLU HA 1 123 LYS HA . . 5.500 4.641 4.517 4.730 . 0 0 "[ . 1 . 2]" 1
940 1 122 GLU HA 1 124 MET H . . 4.350 4.304 3.991 4.584 0.234 17 0 "[ . 1 . 2]" 1
941 1 122 GLU HB2 1 123 LYS H . . 4.110 4.090 3.786 4.274 0.164 2 0 "[ . 1 . 2]" 1
942 1 123 LYS H 1 124 MET H . . 3.630 2.387 2.116 2.564 . 0 0 "[ . 1 . 2]" 1
943 1 123 LYS HA 1 124 MET H . . 3.450 3.020 2.848 3.203 . 0 0 "[ . 1 . 2]" 1
944 1 124 MET H 1 124 MET HB2 . . 3.810 2.679 2.313 3.814 0.004 9 0 "[ . 1 . 2]" 1
945 1 124 MET H 1 124 MET ME . . 4.550 4.227 3.998 4.588 0.038 20 0 "[ . 1 . 2]" 1
946 1 124 MET H 1 125 SER H . . 4.470 4.272 3.152 4.634 0.164 17 0 "[ . 1 . 2]" 1
947 1 124 MET ME 1 129 ARG H . . 5.030 4.495 3.716 5.664 0.634 6 2 "[ .+ - 1 . 2]" 1
948 1 124 MET ME 1 132 CYS H . . 5.500 4.894 4.198 6.005 0.505 6 1 "[ .+ 1 . 2]" 1
949 1 124 MET ME 1 132 CYS HB2 . . 4.320 3.892 2.688 5.090 0.770 6 2 "[ .+ - 1 . 2]" 1
950 1 126 PRO HA 1 129 ARG H . . 4.400 3.951 3.619 4.272 . 0 0 "[ . 1 . 2]" 1
951 1 127 GLU H 1 128 ASP H . . 3.790 2.527 2.151 2.707 . 0 0 "[ . 1 . 2]" 1
952 1 127 GLU HA 1 130 ALA H . . 3.990 3.491 3.243 3.835 . 0 0 "[ . 1 . 2]" 1
953 1 127 GLU HA 1 130 ALA MB . . 3.910 3.209 2.731 3.683 . 0 0 "[ . 1 . 2]" 1
954 1 128 ASP H 1 129 ARG H . . 4.280 2.698 2.576 2.842 . 0 0 "[ . 1 . 2]" 1
955 1 128 ASP HA 1 131 LYS H . . 3.940 3.296 2.999 3.538 . 0 0 "[ . 1 . 2]" 1
956 1 128 ASP HA 1 132 CYS H . . 4.410 3.678 3.401 3.982 . 0 0 "[ . 1 . 2]" 1
957 1 129 ARG H 1 130 ALA H . . 4.250 2.872 2.758 2.985 . 0 0 "[ . 1 . 2]" 1
958 1 129 ARG H 1 130 ALA MB . . 4.660 4.476 4.352 4.558 . 0 0 "[ . 1 . 2]" 1
959 1 129 ARG H 1 131 LYS H . . 5.020 4.203 3.942 4.521 . 0 0 "[ . 1 . 2]" 1
960 1 129 ARG HA 1 132 CYS H . . 4.680 3.769 3.441 4.103 . 0 0 "[ . 1 . 2]" 1
961 1 129 ARG HA 1 133 PHE QD . . 5.500 4.549 3.642 5.541 0.041 7 0 "[ . 1 . 2]" 1
962 1 130 ALA H 1 130 ALA MB . . 3.470 2.226 2.196 2.275 . 0 0 "[ . 1 . 2]" 1
963 1 130 ALA H 1 132 CYS H . . 4.570 4.313 4.066 4.667 0.097 15 0 "[ . 1 . 2]" 1
964 1 130 ALA H 1 133 PHE QD . . 5.500 5.058 4.148 6.238 0.738 5 1 "[ + 1 . 2]" 1
965 1 130 ALA HA 1 133 PHE HB2 . . 4.170 2.630 2.283 3.010 . 0 0 "[ . 1 . 2]" 1
966 1 130 ALA MB 1 131 LYS H . . 3.740 2.481 2.359 2.587 . 0 0 "[ . 1 . 2]" 1
967 1 130 ALA MB 1 131 LYS HA . . 3.780 3.984 3.907 4.068 0.288 20 0 "[ . 1 . 2]" 1
968 1 130 ALA MB 1 132 CYS H . . 4.680 4.680 4.557 4.931 0.251 15 0 "[ . 1 . 2]" 1
969 1 130 ALA MB 1 133 PHE QD . . 5.090 4.782 4.237 5.403 0.313 5 0 "[ . 1 . 2]" 1
970 1 130 ALA MB 1 134 GLU H . . 4.720 4.666 4.443 4.887 0.167 17 0 "[ . 1 . 2]" 1
971 1 131 LYS H 1 132 CYS H . . 3.820 2.895 2.829 3.019 . 0 0 "[ . 1 . 2]" 1
972 1 131 LYS HA 1 134 GLU H . . 4.740 3.632 3.256 3.843 . 0 0 "[ . 1 . 2]" 1
973 1 132 CYS H 1 132 CYS HB2 . . 3.800 2.461 2.315 3.658 . 0 0 "[ . 1 . 2]" 1
974 1 132 CYS H 1 133 PHE H . . 4.040 2.766 2.544 3.006 . 0 0 "[ . 1 . 2]" 1
975 1 132 CYS H 1 134 GLU H . . 4.640 4.353 4.150 4.592 . 0 0 "[ . 1 . 2]" 1
976 1 132 CYS HB2 1 133 PHE H . . 4.500 3.043 2.631 4.018 . 0 0 "[ . 1 . 2]" 1
977 1 133 PHE H 1 133 PHE HB2 . . 4.070 2.209 2.091 2.423 . 0 0 "[ . 1 . 2]" 1
978 1 133 PHE H 1 134 GLU H . . 4.170 2.842 2.543 2.985 . 0 0 "[ . 1 . 2]" 1
979 1 133 PHE HA 1 135 LYS H . . 4.210 4.357 3.785 4.796 0.586 8 2 "[ - . + 1 . 2]" 1
980 1 133 PHE HA 1 136 ASN H . . 4.170 3.432 3.275 3.711 . 0 0 "[ . 1 . 2]" 1
981 1 133 PHE HA 1 139 ILE MD . . 4.470 4.368 3.758 4.915 0.445 19 0 "[ . 1 . 2]" 1
982 1 133 PHE QD 1 139 ILE MD . . 4.250 4.127 3.642 4.774 0.524 19 1 "[ . 1 . +2]" 1
983 1 133 PHE QE 1 139 ILE HB . . 5.270 3.739 2.571 4.736 . 0 0 "[ . 1 . 2]" 1
984 1 133 PHE QE 1 139 ILE MG . . 3.440 2.438 2.070 3.048 . 0 0 "[ . 1 . 2]" 1
985 1 134 GLU H 1 135 LYS H . . 4.100 2.836 2.776 2.925 . 0 0 "[ . 1 . 2]" 1
986 1 134 GLU HA 1 135 LYS HA . . 4.980 4.692 4.604 4.765 . 0 0 "[ . 1 . 2]" 1
987 1 134 GLU HA 1 136 ASN H . . 4.630 4.113 3.918 4.328 . 0 0 "[ . 1 . 2]" 1
988 1 134 GLU HA 1 140 GLN HE21 . . 4.380 3.374 2.842 4.237 . 0 0 "[ . 1 . 2]" 1
989 1 134 GLU HA 1 140 GLN HE22 . . 4.380 3.159 2.512 4.687 0.307 10 0 "[ . 1 . 2]" 1
990 1 135 LYS H 1 135 LYS HB2 . . 3.950 3.725 3.639 3.838 . 0 0 "[ . 1 . 2]" 1
991 1 135 LYS H 1 136 ASN H . . 3.720 2.550 2.240 2.864 . 0 0 "[ . 1 . 2]" 1
992 1 135 LYS H 1 140 GLN QE . . 5.280 4.417 3.821 6.038 0.758 10 1 "[ . + . 2]" 1
993 1 136 ASN H 1 136 ASN QD . . 5.340 4.275 2.635 4.701 . 0 0 "[ . 1 . 2]" 1
994 1 136 ASN H 1 137 GLU H . . 4.730 4.657 4.578 4.686 . 0 0 "[ . 1 . 2]" 1
995 1 136 ASN H 1 140 GLN QE . . 4.480 3.325 2.462 4.878 0.398 10 0 "[ . 1 . 2]" 1
996 1 136 ASN HA 1 136 ASN QD . . 4.410 2.653 2.103 3.099 . 0 0 "[ . 1 . 2]" 1
997 1 136 ASN HA 1 137 GLU HA . . 5.360 4.511 4.462 4.574 . 0 0 "[ . 1 . 2]" 1
998 1 136 ASN HA 1 138 ALA H . . 4.770 4.591 4.294 4.856 0.086 8 0 "[ . 1 . 2]" 1
999 1 136 ASN QD 1 137 GLU H . . 4.460 2.885 2.160 4.332 . 0 0 "[ . 1 . 2]" 1
1000 1 136 ASN QD 1 139 ILE MD . . 3.840 2.611 2.265 3.176 . 0 0 "[ . 1 . 2]" 1
1001 1 136 ASN QD 1 139 ILE MG . . 5.020 4.374 3.980 4.863 . 0 0 "[ . 1 . 2]" 1
1002 1 136 ASN HD21 1 137 GLU H . . 5.250 3.042 2.174 4.570 . 0 0 "[ . 1 . 2]" 1
1003 1 136 ASN HD22 1 137 GLU H . . 5.250 4.141 3.216 5.373 0.123 19 0 "[ . 1 . 2]" 1
1004 1 137 GLU H 1 138 ALA MB . . 4.670 3.994 3.765 4.238 . 0 0 "[ . 1 . 2]" 1
1005 1 137 GLU H 1 139 ILE H . . 5.060 3.867 3.286 4.338 . 0 0 "[ . 1 . 2]" 1
1006 1 137 GLU H 1 139 ILE MD . . 5.030 5.457 4.479 6.030 1.000 4 7 "[ +* 1 - * ** *]" 1
1007 1 137 GLU H 1 140 GLN H . . 4.310 4.235 3.509 4.803 0.493 5 0 "[ . 1 . 2]" 1
1008 1 137 GLU HA 1 137 GLU HG2 . . 3.770 2.629 2.380 3.537 . 0 0 "[ . 1 . 2]" 1
1009 1 137 GLU HA 1 140 GLN H . . 4.120 4.101 3.741 4.358 0.238 18 0 "[ . 1 . 2]" 1
1010 1 138 ALA H 1 138 ALA MB . . 3.100 2.196 2.167 2.210 . 0 0 "[ . 1 . 2]" 1
1011 1 138 ALA H 1 139 ILE H . . 4.220 3.086 2.934 3.256 . 0 0 "[ . 1 . 2]" 1
1012 1 138 ALA H 1 139 ILE MD . . 5.500 5.733 5.319 5.899 0.399 4 0 "[ . 1 . 2]" 1
1013 1 138 ALA MB 1 139 ILE H . . 3.640 2.405 2.204 2.859 . 0 0 "[ . 1 . 2]" 1
1014 1 138 ALA MB 1 139 ILE HA . . 4.270 3.956 3.873 4.177 . 0 0 "[ . 1 . 2]" 1
1015 1 139 ILE H 1 139 ILE MD . . 3.830 3.639 3.447 3.756 . 0 0 "[ . 1 . 2]" 1
1016 1 139 ILE H 1 139 ILE HG12 . . 5.080 3.215 2.614 3.484 . 0 0 "[ . 1 . 2]" 1
1017 1 139 ILE H 1 139 ILE MG . . 3.790 3.833 3.762 3.867 0.077 2 0 "[ . 1 . 2]" 1
1018 1 139 ILE H 1 140 GLN H . . 4.640 2.748 2.430 2.942 . 0 0 "[ . 1 . 2]" 1
1019 1 139 ILE HA 1 139 ILE MD . . 3.970 3.919 3.841 4.002 0.032 20 0 "[ . 1 . 2]" 1
1020 1 139 ILE HA 1 139 ILE HG12 . . 4.060 2.631 2.460 2.885 . 0 0 "[ . 1 . 2]" 1
1021 1 139 ILE HA 1 139 ILE MG . . 3.370 2.348 2.216 2.442 . 0 0 "[ . 1 . 2]" 1
1022 1 139 ILE HB 1 140 GLN H . . 4.850 2.601 2.475 2.771 . 0 0 "[ . 1 . 2]" 1
1023 1 139 ILE MD 1 139 ILE MG . . 2.870 2.077 2.064 2.096 . 0 0 "[ . 1 . 2]" 1
1024 1 139 ILE MG 1 140 GLN H . . 3.850 3.567 3.410 3.964 0.114 16 0 "[ . 1 . 2]" 1
1025 1 140 GLN H 1 140 GLN QE . . 5.340 4.712 4.299 5.101 . 0 0 "[ . 1 . 2]" 1
1026 1 140 GLN H 1 141 ALA H . . 4.110 2.863 2.691 3.066 . 0 0 "[ . 1 . 2]" 1
1027 1 140 GLN HA 1 141 ALA MB . . 5.490 5.052 5.034 5.072 . 0 0 "[ . 1 . 2]" 1
1028 1 140 GLN HA 1 142 ALA MB . . 5.500 5.043 4.853 5.169 . 0 0 "[ . 1 . 2]" 1
1029 1 140 GLN HA 1 143 HIS H . . 4.040 3.800 3.583 3.991 . 0 0 "[ . 1 . 2]" 1
1030 1 140 GLN HA 1 144 ASP H . . 4.240 3.979 3.702 4.277 0.037 1 0 "[ . 1 . 2]" 1
1031 1 141 ALA H 1 141 ALA MB . . 3.010 2.198 2.182 2.211 . 0 0 "[ . 1 . 2]" 1
1032 1 141 ALA H 1 142 ALA H . . 3.620 2.828 2.751 2.912 . 0 0 "[ . 1 . 2]" 1
1033 1 141 ALA HA 1 144 ASP H . . 4.020 3.620 3.420 3.855 . 0 0 "[ . 1 . 2]" 1
1034 1 141 ALA HA 1 144 ASP HB2 . . 4.390 3.498 2.495 4.023 . 0 0 "[ . 1 . 2]" 1
1035 1 141 ALA MB 1 142 ALA H . . 3.410 2.574 2.478 2.686 . 0 0 "[ . 1 . 2]" 1
1036 1 141 ALA MB 1 145 ALA H . . 4.930 4.496 4.358 4.721 . 0 0 "[ . 1 . 2]" 1
1037 1 142 ALA H 1 142 ALA MB . . 3.170 2.216 2.168 2.244 . 0 0 "[ . 1 . 2]" 1
1038 1 142 ALA H 1 143 HIS H . . 4.030 2.894 2.803 3.013 . 0 0 "[ . 1 . 2]" 1
1039 1 142 ALA HA 1 145 ALA H . . 3.680 3.746 3.396 3.907 0.227 9 0 "[ . 1 . 2]" 1
1040 1 142 ALA HA 1 145 ALA MB . . 2.830 2.810 2.539 3.081 0.251 9 0 "[ . 1 . 2]" 1
1041 1 142 ALA HA 1 146 VAL QG . . 4.460 4.106 3.704 4.586 0.126 20 0 "[ . 1 . 2]" 1
1042 1 142 ALA MB 1 143 HIS H . . 3.460 2.426 2.334 2.715 . 0 0 "[ . 1 . 2]" 1
1043 1 142 ALA MB 1 145 ALA H . . 5.270 4.835 4.654 4.943 . 0 0 "[ . 1 . 2]" 1
1044 1 143 HIS H 1 144 ASP H . . 4.150 2.817 2.672 2.953 . 0 0 "[ . 1 . 2]" 1
1045 1 143 HIS H 1 145 ALA H . . 4.170 4.367 4.106 4.486 0.316 3 0 "[ . 1 . 2]" 1
1046 1 143 HIS HA 1 144 ASP HA . . 4.940 4.844 4.721 4.920 . 0 0 "[ . 1 . 2]" 1
1047 1 143 HIS HA 1 146 VAL QG . . 3.270 2.142 2.042 2.342 . 0 0 "[ . 1 . 2]" 1
1048 1 144 ASP H 1 145 ALA H . . 4.180 2.856 2.726 2.986 . 0 0 "[ . 1 . 2]" 1
1049 1 144 ASP H 1 145 ALA MB . . 4.300 4.450 4.374 4.541 0.241 2 0 "[ . 1 . 2]" 1
1050 1 144 ASP H 1 146 VAL QG . . 4.390 4.397 4.258 4.538 0.148 11 0 "[ . 1 . 2]" 1
1051 1 144 ASP HA 1 146 VAL H . . 4.810 4.791 4.509 4.961 0.151 16 0 "[ . 1 . 2]" 1
1052 1 144 ASP HA 1 146 VAL QG . . 4.950 4.617 4.373 4.809 . 0 0 "[ . 1 . 2]" 1
1053 1 144 ASP HA 1 147 ALA H . . 4.270 3.605 3.284 3.827 . 0 0 "[ . 1 . 2]" 1
1054 1 144 ASP HA 1 147 ALA MB . . 3.320 2.532 2.336 2.808 . 0 0 "[ . 1 . 2]" 1
1055 1 144 ASP HA 1 148 GLN H . . 4.940 3.924 3.738 4.174 . 0 0 "[ . 1 . 2]" 1
1056 1 145 ALA H 1 145 ALA MB . . 3.120 2.212 2.193 2.237 . 0 0 "[ . 1 . 2]" 1
1057 1 145 ALA H 1 146 VAL H . . 4.330 2.969 2.882 3.051 . 0 0 "[ . 1 . 2]" 1
1058 1 145 ALA H 1 146 VAL QG . . 3.810 4.053 3.927 4.269 0.459 3 0 "[ . 1 . 2]" 1
1059 1 145 ALA H 1 147 ALA H . . 4.570 4.227 4.103 4.369 . 0 0 "[ . 1 . 2]" 1
1060 1 145 ALA H 1 148 GLN H . . 5.500 4.858 4.737 5.053 . 0 0 "[ . 1 . 2]" 1
1061 1 145 ALA HA 1 147 ALA H . . 4.680 4.555 4.428 4.694 0.014 2 0 "[ . 1 . 2]" 1
1062 1 145 ALA MB 1 146 VAL H . . 3.660 2.458 2.337 2.689 . 0 0 "[ . 1 . 2]" 1
1063 1 145 ALA MB 1 146 VAL HA . . 3.880 3.961 3.893 4.091 0.211 17 0 "[ . 1 . 2]" 1
1064 1 145 ALA MB 1 146 VAL QG . . 3.480 3.340 2.947 3.860 0.380 3 0 "[ . 1 . 2]" 1
1065 1 146 VAL H 1 146 VAL HB . . 3.680 3.275 2.462 3.753 0.073 17 0 "[ . 1 . 2]" 1
1066 1 146 VAL H 1 146 VAL QG . . 3.380 2.067 1.948 2.267 . 0 0 "[ . 1 . 2]" 1
1067 1 146 VAL H 1 147 ALA H . . 4.130 2.731 2.541 2.820 . 0 0 "[ . 1 . 2]" 1
1068 1 146 VAL HA 1 146 VAL QG . . 3.140 2.295 2.227 2.352 . 0 0 "[ . 1 . 2]" 1
1069 1 146 VAL HA 1 149 GLU H . . 4.800 3.465 3.209 3.787 . 0 0 "[ . 1 . 2]" 1
1070 1 146 VAL HA 1 150 GLY H . . 4.940 4.440 3.866 4.836 . 0 0 "[ . 1 . 2]" 1
1071 1 146 VAL HB 1 147 ALA H . . 4.860 4.015 3.885 4.174 . 0 0 "[ . 1 . 2]" 1
1072 1 146 VAL QG 1 147 ALA H . . 3.710 2.366 2.256 2.454 . 0 0 "[ . 1 . 2]" 1
1073 1 146 VAL QG 1 147 ALA MB . . 3.060 3.165 2.958 3.275 0.215 5 0 "[ . 1 . 2]" 1
1074 1 146 VAL QG 1 149 GLU H . . 4.790 4.555 4.098 4.857 0.067 8 0 "[ . 1 . 2]" 1
1075 1 146 VAL QG 1 150 GLY H . . 4.940 4.702 3.931 5.267 0.327 10 0 "[ . 1 . 2]" 1
1076 1 147 ALA H 1 147 ALA MB . . 3.330 2.221 2.182 2.246 . 0 0 "[ . 1 . 2]" 1
1077 1 147 ALA H 1 148 GLN H . . 4.170 2.825 2.686 2.938 . 0 0 "[ . 1 . 2]" 1
1078 1 147 ALA H 1 149 GLU H . . 4.720 4.216 4.052 4.539 . 0 0 "[ . 1 . 2]" 1
1079 1 147 ALA HA 1 148 GLN HA . . 4.850 4.807 4.704 4.906 0.056 4 0 "[ . 1 . 2]" 1
1080 1 147 ALA HA 1 149 GLU H . . 4.410 4.420 4.178 4.690 0.280 2 0 "[ . 1 . 2]" 1
1081 1 147 ALA HA 1 150 GLY H . . 4.700 3.486 3.197 3.731 . 0 0 "[ . 1 . 2]" 1
1082 1 147 ALA MB 1 148 GLN H . . 3.580 2.538 2.307 2.776 . 0 0 "[ . 1 . 2]" 1
1083 1 147 ALA MB 1 149 GLU H . . 5.320 4.570 4.441 4.911 . 0 0 "[ . 1 . 2]" 1
1084 1 147 ALA MB 1 150 GLY H . . 4.750 4.555 4.409 4.718 . 0 0 "[ . 1 . 2]" 1
1085 1 148 GLN H 1 148 GLN HG2 . . 4.230 3.178 2.168 4.491 0.261 4 0 "[ . 1 . 2]" 1
1086 1 149 GLU H 1 150 GLY H . . 3.140 2.559 2.379 2.691 . 0 0 "[ . 1 . 2]" 1
1087 1 150 GLY H 1 151 GLN H . . 4.130 3.873 2.392 4.569 0.439 18 0 "[ . 1 . 2]" 1
1088 1 150 GLY HA2 1 151 GLN H . . 3.500 2.980 2.517 3.608 0.108 13 0 "[ . 1 . 2]" 1
1089 1 151 GLN H 1 151 GLN QE . . 5.030 4.407 2.945 5.881 0.851 13 1 "[ . 1 + . 2]" 1
1090 1 151 GLN HA 1 151 GLN QE . . 4.620 4.150 2.441 4.983 0.363 19 0 "[ . 1 . 2]" 1
1091 1 151 GLN HA 1 152 CYS H . . 3.110 2.327 2.137 2.597 . 0 0 "[ . 1 . 2]" 1
1092 1 152 CYS HA 1 153 ARG H . . 3.130 2.463 2.160 3.264 0.134 20 0 "[ . 1 . 2]" 1
1093 1 153 ARG HA 1 154 VAL H . . 2.870 2.333 2.143 2.605 . 0 0 "[ . 1 . 2]" 1
1094 1 153 ARG HA 1 154 VAL HA . . 4.520 4.442 4.367 4.588 0.068 13 0 "[ . 1 . 2]" 1
1095 1 153 ARG HA 1 154 VAL QG . . 4.150 3.809 3.206 4.077 . 0 0 "[ . 1 . 2]" 1
1096 1 154 VAL H 1 154 VAL HB . . 3.030 2.726 2.442 3.025 . 0 0 "[ . 1 . 2]" 1
1097 1 154 VAL H 1 154 VAL QG . . 3.390 2.347 1.975 3.025 . 0 0 "[ . 1 . 2]" 1
1098 1 154 VAL HA 1 154 VAL QG . . 3.020 2.218 2.130 2.303 . 0 0 "[ . 1 . 2]" 1
1099 1 154 VAL HA 1 155 ASP H . . 2.900 2.224 2.095 2.945 0.045 19 0 "[ . 1 . 2]" 1
1100 1 154 VAL QG 1 155 ASP H . . 3.530 2.591 2.178 3.507 . 0 0 "[ . 1 . 2]" 1
1101 1 154 VAL QG 1 155 ASP HA . . 4.070 3.885 3.485 4.511 0.441 19 0 "[ . 1 . 2]" 1
1102 1 154 VAL QG 1 156 ASP H . . 3.620 2.386 1.845 3.589 . 0 0 "[ . 1 . 2]" 1
1103 1 154 VAL QG 1 156 ASP HA . . 4.440 4.257 3.978 4.802 0.362 6 0 "[ . 1 . 2]" 1
1104 1 155 ASP H 1 155 ASP HB2 . . 3.690 3.226 2.385 3.903 0.213 1 0 "[ . 1 . 2]" 1
1105 1 155 ASP HA 1 156 ASP H . . 3.500 3.010 2.276 3.514 0.014 17 0 "[ . 1 . 2]" 1
1106 1 156 ASP HA 1 157 LYS H . . 3.390 2.317 2.133 2.548 . 0 0 "[ . 1 . 2]" 1
1107 1 156 ASP HA 1 157 LYS HA . . 4.410 4.438 4.332 4.554 0.144 5 0 "[ . 1 . 2]" 1
1108 1 156 ASP HA 1 158 VAL H . . 4.220 4.108 3.757 4.682 0.462 4 0 "[ . 1 . 2]" 1
1109 1 157 LYS H 1 158 VAL H . . 3.150 2.608 2.048 2.899 . 0 0 "[ . 1 . 2]" 1
1110 1 157 LYS H 1 158 VAL QG . . 4.250 3.715 3.235 4.646 0.396 4 0 "[ . 1 . 2]" 1
1111 1 158 VAL H 1 158 VAL HB . . 3.970 3.254 2.408 3.927 . 0 0 "[ . 1 . 2]" 1
1112 1 158 VAL H 1 158 VAL MG1 . . 4.060 2.940 2.126 3.940 . 0 0 "[ . 1 . 2]" 1
1113 1 158 VAL H 1 158 VAL QG . . 3.290 2.254 1.950 2.785 . 0 0 "[ . 1 . 2]" 1
1114 1 158 VAL H 1 158 VAL MG2 . . 4.060 2.713 2.052 4.105 0.045 4 0 "[ . 1 . 2]" 1
1115 1 158 VAL H 1 159 ASN H . . 4.730 4.517 4.169 4.690 . 0 0 "[ . 1 . 2]" 1
1116 1 158 VAL HA 1 158 VAL MG1 . . 3.270 2.581 2.300 3.284 0.014 4 0 "[ . 1 . 2]" 1
1117 1 158 VAL HA 1 158 VAL QG . . 2.820 2.249 2.121 2.318 . 0 0 "[ . 1 . 2]" 1
1118 1 158 VAL HA 1 158 VAL MG2 . . 3.270 2.823 2.302 3.275 0.005 6 0 "[ . 1 . 2]" 1
1119 1 158 VAL HA 1 159 ASN H . . 3.130 2.307 2.108 2.518 . 0 0 "[ . 1 . 2]" 1
1120 1 158 VAL HA 1 159 ASN QD . . 4.120 4.003 3.412 4.660 0.540 12 1 "[ . 1 + . 2]" 1
1121 1 158 VAL HB 1 159 ASN H . . 4.180 3.189 2.126 4.418 0.238 18 0 "[ . 1 . 2]" 1
1122 1 158 VAL QG 1 159 ASN H . . 3.470 2.801 2.064 3.214 . 0 0 "[ . 1 . 2]" 1
1123 1 158 VAL QG 1 159 ASN QD . . 4.420 4.447 3.506 4.811 0.391 18 0 "[ . 1 . 2]" 1
1124 1 158 VAL QG 1 160 PHE H . . 5.440 4.888 2.318 5.424 . 0 0 "[ . 1 . 2]" 1
1125 1 158 VAL MG1 1 159 ASN H . . 4.100 3.411 2.307 4.016 . 0 0 "[ . 1 . 2]" 1
1126 1 158 VAL MG2 1 159 ASN H . . 4.100 3.307 2.080 4.210 0.110 18 0 "[ . 1 . 2]" 1
1127 1 159 ASN H 1 159 ASN HB2 . . 3.890 2.735 2.279 3.977 0.087 3 0 "[ . 1 . 2]" 1
1128 1 159 ASN HA 1 160 PHE H . . 3.260 2.534 2.284 3.582 0.322 1 0 "[ . 1 . 2]" 1
1129 1 160 PHE H 1 160 PHE QD . . 3.920 3.047 2.719 3.324 . 0 0 "[ . 1 . 2]" 1
1130 1 160 PHE H 1 161 HIS H . . 4.710 4.490 4.364 4.634 . 0 0 "[ . 1 . 2]" 1
1131 1 160 PHE QD 1 161 HIS H . . 4.210 3.614 3.152 3.958 . 0 0 "[ . 1 . 2]" 1
1132 1 163 ILE H 1 163 ILE MD . . 4.110 3.869 2.198 4.255 0.145 9 0 "[ . 1 . 2]" 1
1133 1 163 ILE H 1 163 ILE MG . . 3.950 2.609 2.236 2.995 . 0 0 "[ . 1 . 2]" 1
1134 1 163 ILE HB 1 163 ILE MD . . 3.360 2.875 2.208 3.292 . 0 0 "[ . 1 . 2]" 1
1135 1 163 ILE HB 1 164 LEU H . . 4.570 3.439 2.360 4.155 . 0 0 "[ . 1 . 2]" 1
1136 1 163 ILE HB 1 177 GLY H . . 5.130 4.156 2.784 5.441 0.311 20 0 "[ . 1 . 2]" 1
1137 1 163 ILE MD 1 163 ILE MG . . 3.480 2.516 2.030 3.201 . 0 0 "[ . 1 . 2]" 1
1138 1 163 ILE MD 1 164 LEU H . . 4.730 3.280 2.863 4.106 . 0 0 "[ . 1 . 2]" 1
1139 1 163 ILE MD 1 164 LEU HA . . 4.020 3.292 2.721 4.269 0.249 3 0 "[ . 1 . 2]" 1
1140 1 163 ILE MD 1 164 LEU QD . . 4.700 4.557 4.131 5.228 0.528 3 1 "[ + . 1 . 2]" 1
1141 1 163 ILE MD 1 165 PHE H . . 4.940 3.705 2.970 5.449 0.509 3 1 "[ + . 1 . 2]" 1
1142 1 163 ILE MG 1 164 LEU H . . 4.440 4.114 3.830 4.470 0.030 2 0 "[ . 1 . 2]" 1
1143 1 164 LEU H 1 164 LEU QD . . 4.690 3.906 3.229 4.031 . 0 0 "[ . 1 . 2]" 1
1144 1 164 LEU H 1 164 LEU HG . . 4.590 4.405 4.218 4.614 0.024 13 0 "[ . 1 . 2]" 1
1145 1 164 LEU H 1 177 GLY H . . 5.500 5.159 4.186 6.195 0.695 9 1 "[ . +1 . 2]" 1
1146 1 164 LEU QD 1 165 PHE H . . 3.790 2.475 2.085 3.165 . 0 0 "[ . 1 . 2]" 1
1147 1 164 LEU QD 1 165 PHE HA . . 4.970 4.268 3.617 4.673 . 0 0 "[ . 1 . 2]" 1
1148 1 164 LEU QD 1 166 ASN H . . 4.910 4.651 4.161 4.998 0.088 5 0 "[ . 1 . 2]" 1
1149 1 164 LEU QD 1 166 ASN QD . . 4.100 3.002 1.966 4.332 0.232 14 0 "[ . 1 . 2]" 1
1150 1 164 LEU QD 1 174 GLU HA . . 5.500 5.250 3.821 5.549 0.049 2 0 "[ . 1 . 2]" 1
1151 1 164 LEU QD 1 175 LEU H . . 4.730 4.610 3.344 4.926 0.196 5 0 "[ . 1 . 2]" 1
1152 1 164 LEU QD 1 175 LEU QD . . 2.860 2.194 2.035 2.442 . 0 0 "[ . 1 . 2]" 1
1153 1 164 LEU QD 1 175 LEU HG . . 4.070 3.740 2.431 4.273 0.203 1 0 "[ . 1 . 2]" 1
1154 1 164 LEU HG 1 165 PHE H . . 3.910 2.964 2.224 3.713 . 0 0 "[ . 1 . 2]" 1
1155 1 164 LEU HG 1 166 ASN H . . 5.070 4.604 4.155 5.012 . 0 0 "[ . 1 . 2]" 1
1156 1 164 LEU HG 1 166 ASN QD . . 4.790 2.912 1.943 4.705 . 0 0 "[ . 1 . 2]" 1
1157 1 164 LEU HG 1 175 LEU H . . 4.970 4.778 4.303 5.449 0.479 5 0 "[ . 1 . 2]" 1
1158 1 164 LEU HG 1 175 LEU QD . . 3.600 3.008 2.120 4.310 0.710 13 1 "[ . 1 + . 2]" 1
1159 1 165 PHE H 1 174 GLU HA . . 5.500 5.033 4.862 5.315 . 0 0 "[ . 1 . 2]" 1
1160 1 165 PHE HA 1 165 PHE QD . . 3.830 2.752 2.189 3.309 . 0 0 "[ . 1 . 2]" 1
1161 1 165 PHE HA 1 172 LEU QD . . 4.210 3.608 3.060 4.012 . 0 0 "[ . 1 . 2]" 1
1162 1 165 PHE HA 1 174 GLU HA . . 4.970 2.628 2.348 2.889 . 0 0 "[ . 1 . 2]" 1
1163 1 165 PHE HA 1 175 LEU H . . 4.760 3.750 3.419 4.001 . 0 0 "[ . 1 . 2]" 1
1164 1 165 PHE QD 1 166 ASN QD . . 5.340 5.398 4.874 5.924 0.584 9 2 "[ . +1- . 2]" 1
1165 1 165 PHE QD 1 172 LEU QD . . 4.130 2.306 1.994 3.598 . 0 0 "[ . 1 . 2]" 1
1166 1 165 PHE QD 1 174 GLU HA . . 4.750 3.569 2.444 5.066 0.316 12 0 "[ . 1 . 2]" 1
1167 1 165 PHE QD 1 197 ALA MB . . 4.000 3.123 2.277 4.008 0.008 9 0 "[ . 1 . 2]" 1
1168 1 166 ASN H 1 166 ASN QD . . 4.390 2.933 2.142 3.753 . 0 0 "[ . 1 . 2]" 1
1169 1 166 ASN H 1 172 LEU QD . . 3.680 3.092 2.629 3.633 . 0 0 "[ . 1 . 2]" 1
1170 1 166 ASN H 1 172 LEU HG . . 5.500 4.597 3.938 5.569 0.069 12 0 "[ . 1 . 2]" 1
1171 1 166 ASN H 1 173 TYR HB2 . . 5.100 3.901 3.523 4.114 . 0 0 "[ . 1 . 2]" 1
1172 1 166 ASN H 1 174 GLU HA . . 4.470 3.783 3.489 4.037 . 0 0 "[ . 1 . 2]" 1
1173 1 166 ASN H 1 175 LEU H . . 5.080 5.200 4.845 5.599 0.519 16 1 "[ . 1 .+ 2]" 1
1174 1 166 ASN H 1 175 LEU QD . . 4.020 4.478 3.261 5.120 1.100 7 15 "[** * + ***-***** **]" 1
1175 1 166 ASN H 1 175 LEU HG . . 5.500 5.334 4.738 6.476 0.976 18 5 "[ -*.* * 1 . + 2]" 1
1176 1 166 ASN QD 1 175 LEU H . . 5.340 4.637 3.961 5.958 0.618 13 1 "[ . 1 + . 2]" 1
1177 1 166 ASN QD 1 175 LEU QD . . 3.940 2.364 1.830 3.961 0.021 13 0 "[ . 1 . 2]" 1
1178 1 167 ASN H 1 167 ASN HB2 . . 3.800 2.933 2.638 3.211 . 0 0 "[ . 1 . 2]" 1
1179 1 167 ASN H 1 167 ASN QD . . 5.340 4.788 4.340 5.009 . 0 0 "[ . 1 . 2]" 1
1180 1 167 ASN H 1 168 VAL QG . . 3.720 3.673 3.264 4.040 0.320 9 0 "[ . 1 . 2]" 1
1181 1 167 ASN H 1 193 LEU QD . . 3.170 2.872 2.347 3.660 0.490 15 0 "[ . 1 . 2]" 1
1182 1 167 ASN HA 1 168 VAL HA . . 5.500 4.476 4.422 4.512 . 0 0 "[ . 1 . 2]" 1
1183 1 167 ASN HA 1 168 VAL QG . . 4.510 3.729 3.302 3.966 . 0 0 "[ . 1 . 2]" 1
1184 1 167 ASN HA 1 170 GLY H . . 5.500 5.253 5.023 5.472 . 0 0 "[ . 1 . 2]" 1
1185 1 167 ASN HA 1 171 HIS H . . 4.990 4.326 4.120 4.593 . 0 0 "[ . 1 . 2]" 1
1186 1 167 ASN HA 1 172 LEU HA . . 4.600 2.733 2.324 3.191 . 0 0 "[ . 1 . 2]" 1
1187 1 167 ASN HA 1 173 TYR H . . 4.580 3.044 2.717 3.398 . 0 0 "[ . 1 . 2]" 1
1188 1 167 ASN HB2 1 193 LEU QD . . 3.660 2.102 1.879 2.670 . 0 0 "[ . 1 . 2]" 1
1189 1 167 ASN QD 1 170 GLY H . . 5.340 4.445 3.279 4.913 . 0 0 "[ . 1 . 2]" 1
1190 1 167 ASN QD 1 171 HIS H . . 5.340 4.061 3.469 4.655 . 0 0 "[ . 1 . 2]" 1
1191 1 167 ASN QD 1 172 LEU HA . . 5.270 3.966 3.003 5.355 0.085 12 0 "[ . 1 . 2]" 1
1192 1 167 ASN QD 1 188 SER H . . 5.340 3.869 2.670 4.849 . 0 0 "[ . 1 . 2]" 1
1193 1 167 ASN QD 1 189 SER H . . 4.040 4.000 3.382 4.350 0.310 10 0 "[ . 1 . 2]" 1
1194 1 167 ASN QD 1 189 SER HA . . 5.340 3.196 2.745 3.861 . 0 0 "[ . 1 . 2]" 1
1195 1 167 ASN QD 1 190 GLU H . . 5.340 3.904 2.798 4.724 . 0 0 "[ . 1 . 2]" 1
1196 1 167 ASN QD 1 193 LEU H . . 5.340 4.470 3.430 5.144 . 0 0 "[ . 1 . 2]" 1
1197 1 167 ASN QD 1 193 LEU HA . . 4.920 3.905 3.201 5.612 0.692 19 1 "[ . 1 . +2]" 1
1198 1 167 ASN QD 1 193 LEU QD . . 3.750 2.746 1.939 3.578 . 0 0 "[ . 1 . 2]" 1
1199 1 167 ASN QD 1 193 LEU HG . . 5.340 4.591 2.450 5.866 0.526 19 1 "[ . 1 . +2]" 1
1200 1 167 ASN HD21 1 189 SER H . . 4.630 4.775 3.642 5.497 0.867 11 7 "[* -. * *+ * *2]" 1
1201 1 167 ASN HD21 1 190 GLU HA . . 4.480 3.689 2.581 4.936 0.456 9 0 "[ . 1 . 2]" 1
1202 1 167 ASN HD22 1 189 SER H . . 4.630 4.343 4.012 4.593 . 0 0 "[ . 1 . 2]" 1
1203 1 167 ASN HD22 1 190 GLU HA . . 4.480 4.052 3.432 5.184 0.704 9 1 "[ . +1 . 2]" 1
1204 1 168 VAL H 1 168 VAL MG1 . . 4.100 3.890 3.168 4.039 . 0 0 "[ . 1 . 2]" 1
1205 1 168 VAL H 1 168 VAL QG . . 3.520 2.935 2.335 3.108 . 0 0 "[ . 1 . 2]" 1
1206 1 168 VAL H 1 168 VAL MG2 . . 4.100 3.040 2.404 3.255 . 0 0 "[ . 1 . 2]" 1
1207 1 168 VAL H 1 169 ASP H . . 5.260 4.349 4.213 4.417 . 0 0 "[ . 1 . 2]" 1
1208 1 168 VAL H 1 171 HIS H . . 3.930 3.025 2.793 3.253 . 0 0 "[ . 1 . 2]" 1
1209 1 168 VAL H 1 173 TYR HB2 . . 4.910 4.094 3.557 4.565 . 0 0 "[ . 1 . 2]" 1
1210 1 168 VAL H 1 173 TYR QE . . 4.320 4.065 3.496 4.669 0.349 1 0 "[ . 1 . 2]" 1
1211 1 168 VAL HA 1 171 HIS H . . 4.450 4.447 4.304 4.646 0.196 11 0 "[ . 1 . 2]" 1
1212 1 168 VAL HB 1 169 ASP H . . 5.090 3.867 2.665 4.239 . 0 0 "[ . 1 . 2]" 1
1213 1 168 VAL HB 1 173 TYR QE . . 5.150 3.544 2.959 5.008 . 0 0 "[ . 1 . 2]" 1
1214 1 168 VAL QG 1 169 ASP H . . 3.410 2.448 2.171 3.357 . 0 0 "[ . 1 . 2]" 1
1215 1 168 VAL QG 1 169 ASP HA . . 4.380 3.856 3.619 4.728 0.348 19 0 "[ . 1 . 2]" 1
1216 1 168 VAL QG 1 173 TYR HB2 . . 3.540 3.371 2.324 4.277 0.737 6 2 "[ .+ 1- . 2]" 1
1217 1 168 VAL MG1 1 169 ASP H . . 4.270 2.508 2.181 3.769 . 0 0 "[ . 1 . 2]" 1
1218 1 168 VAL MG1 1 173 TYR QD . . 4.100 4.132 3.272 4.868 0.768 1 2 "[+ . 1- . 2]" 1
1219 1 168 VAL MG2 1 169 ASP H . . 4.270 3.906 3.700 4.157 . 0 0 "[ . 1 . 2]" 1
1220 1 168 VAL MG2 1 173 TYR QD . . 4.100 3.579 2.250 4.451 0.351 6 0 "[ . 1 . 2]" 1
1221 1 169 ASP H 1 170 GLY H . . 4.440 2.870 2.740 2.956 . 0 0 "[ . 1 . 2]" 1
1222 1 169 ASP H 1 171 HIS H . . 5.210 4.404 4.332 4.634 . 0 0 "[ . 1 . 2]" 1
1223 1 169 ASP H 1 173 TYR QE . . 5.500 5.228 4.853 5.931 0.431 1 0 "[ . 1 . 2]" 1
1224 1 169 ASP HA 1 170 GLY HA2 . . 5.500 4.916 4.804 5.027 . 0 0 "[ . 1 . 2]" 1
1225 1 169 ASP HB2 1 170 GLY H . . 4.840 4.322 4.074 4.573 . 0 0 "[ . 1 . 2]" 1
1226 1 170 GLY H 1 171 HIS H . . 3.550 2.534 2.418 2.756 . 0 0 "[ . 1 . 2]" 1
1227 1 171 HIS H 1 171 HIS HD2 . . 4.530 4.075 3.169 4.943 0.413 9 0 "[ . 1 . 2]" 1
1228 1 171 HIS H 1 173 TYR QE . . 4.200 3.904 3.476 4.466 0.266 1 0 "[ . 1 . 2]" 1
1229 1 171 HIS HA 1 187 ALA HA . . 4.200 2.321 1.969 3.175 . 0 0 "[ . 1 . 2]" 1
1230 1 171 HIS HA 1 188 SER H . . 3.850 2.762 2.131 3.744 . 0 0 "[ . 1 . 2]" 1
1231 1 171 HIS HD2 1 172 LEU H . . 5.500 4.739 4.160 5.848 0.348 2 0 "[ . 1 . 2]" 1
1232 1 171 HIS HD2 1 187 ALA HA . . 5.300 3.213 2.114 5.565 0.265 2 0 "[ . 1 . 2]" 1
1233 1 172 LEU H 1 172 LEU QD . . 4.250 3.798 3.679 3.872 . 0 0 "[ . 1 . 2]" 1
1234 1 172 LEU H 1 173 TYR H . . 4.850 4.282 3.991 4.480 . 0 0 "[ . 1 . 2]" 1
1235 1 172 LEU H 1 173 TYR HA . . 5.500 5.285 5.035 5.482 . 0 0 "[ . 1 . 2]" 1
1236 1 172 LEU H 1 187 ALA HA . . 3.970 2.852 2.060 4.120 0.150 9 0 "[ . 1 . 2]" 1
1237 1 172 LEU H 1 188 SER H . . 4.140 3.395 2.517 4.360 0.220 20 0 "[ . 1 . 2]" 1
1238 1 172 LEU HA 1 172 LEU MD1 . . 3.990 2.961 2.079 3.889 . 0 0 "[ . 1 . 2]" 1
1239 1 172 LEU HA 1 172 LEU QD . . 3.200 2.457 2.071 3.016 . 0 0 "[ . 1 . 2]" 1
1240 1 172 LEU HA 1 172 LEU MD2 . . 3.990 3.347 2.515 3.923 . 0 0 "[ . 1 . 2]" 1
1241 1 172 LEU QD 1 173 TYR H . . 3.950 2.922 2.307 3.355 . 0 0 "[ . 1 . 2]" 1
1242 1 172 LEU QD 1 173 TYR HA . . 4.740 4.073 3.143 4.855 0.115 11 0 "[ . 1 . 2]" 1
1243 1 172 LEU QD 1 197 ALA HA . . 3.150 2.493 2.137 3.475 0.325 12 0 "[ . 1 . 2]" 1
1244 1 172 LEU QD 1 197 ALA MB . . 3.670 2.489 1.991 4.041 0.371 20 0 "[ . 1 . 2]" 1
1245 1 172 LEU MD1 1 197 ALA HA . . 4.050 3.046 2.200 4.286 0.236 12 0 "[ . 1 . 2]" 1
1246 1 172 LEU MD2 1 197 ALA HA . . 4.050 3.027 2.173 4.175 0.125 20 0 "[ . 1 . 2]" 1
1247 1 173 TYR H 1 173 TYR HB2 . . 3.830 2.355 2.226 2.539 . 0 0 "[ . 1 . 2]" 1
1248 1 173 TYR H 1 185 HIS H . . 5.500 5.213 4.939 5.501 0.001 19 0 "[ . 1 . 2]" 1
1249 1 173 TYR HA 1 183 VAL H . . 5.500 4.844 4.474 5.167 . 0 0 "[ . 1 . 2]" 1
1250 1 173 TYR HA 1 184 ASN HA . . 4.710 2.277 2.020 2.653 . 0 0 "[ . 1 . 2]" 1
1251 1 173 TYR HA 1 185 HIS H . . 4.520 3.453 3.105 3.947 . 0 0 "[ . 1 . 2]" 1
1252 1 173 TYR HB2 1 174 GLU H . . 5.500 4.222 3.891 4.584 . 0 0 "[ . 1 . 2]" 1
1253 1 173 TYR HB2 1 175 LEU QD . . 4.140 4.086 3.135 4.734 0.594 7 2 "[ . + 1 .- 2]" 1
1254 1 173 TYR QD 1 174 GLU H . . 4.320 3.732 3.342 4.368 0.048 6 0 "[ . 1 . 2]" 1
1255 1 173 TYR QD 1 175 LEU QD . . 4.070 3.553 2.846 4.073 0.003 19 0 "[ . 1 . 2]" 1
1256 1 173 TYR QD 1 183 VAL H . . 4.550 3.846 3.261 4.425 . 0 0 "[ . 1 . 2]" 1
1257 1 173 TYR QD 1 184 ASN HD21 . . 5.500 4.328 2.960 6.071 0.571 13 1 "[ . 1 + . 2]" 1
1258 1 173 TYR QD 1 184 ASN QD . . 4.840 4.099 2.905 5.300 0.460 13 0 "[ . 1 . 2]" 1
1259 1 173 TYR QD 1 184 ASN HD22 . . 5.500 5.403 4.139 6.132 0.632 2 2 "[ + . 1 - 2]" 1
1260 1 173 TYR QE 1 184 ASN H . . 4.560 4.855 4.129 5.413 0.853 9 7 "[* * +1 ** *-]" 1
1261 1 173 TYR QE 1 184 ASN HA . . 5.340 4.677 3.970 5.322 . 0 0 "[ . 1 . 2]" 1
1262 1 174 GLU H 1 183 VAL H . . 4.630 3.523 3.051 4.028 . 0 0 "[ . 1 . 2]" 1
1263 1 174 GLU H 1 183 VAL QG . . 5.010 3.620 2.875 4.501 . 0 0 "[ . 1 . 2]" 1
1264 1 174 GLU H 1 184 ASN HA . . 3.910 3.146 2.546 3.525 . 0 0 "[ . 1 . 2]" 1
1265 1 174 GLU HA 1 175 LEU MD1 . . 4.590 4.561 3.946 5.157 0.567 2 1 "[ + . 1 . 2]" 1
1266 1 174 GLU HA 1 175 LEU QD . . 3.870 3.709 2.431 4.375 0.505 2 1 "[ + . 1 . 2]" 1
1267 1 174 GLU HA 1 175 LEU MD2 . . 4.590 3.999 2.454 4.729 0.139 2 0 "[ . 1 . 2]" 1
1268 1 175 LEU H 1 175 LEU MD1 . . 4.390 3.854 3.434 4.134 . 0 0 "[ . 1 . 2]" 1
1269 1 175 LEU H 1 175 LEU QD . . 3.710 3.187 2.247 3.604 . 0 0 "[ . 1 . 2]" 1
1270 1 175 LEU H 1 175 LEU MD2 . . 4.390 3.468 2.278 4.034 . 0 0 "[ . 1 . 2]" 1
1271 1 175 LEU H 1 175 LEU HG . . 5.150 3.248 2.583 4.464 . 0 0 "[ . 1 . 2]" 1
1272 1 175 LEU HA 1 175 LEU QD . . 4.170 2.240 2.133 2.484 . 0 0 "[ . 1 . 2]" 1
1273 1 175 LEU QD 1 176 ASP H . . 5.440 3.997 3.742 4.132 . 0 0 "[ . 1 . 2]" 1
1274 1 175 LEU QD 1 183 VAL H . . 3.800 3.064 2.561 3.636 . 0 0 "[ . 1 . 2]" 1
1275 1 175 LEU HG 1 176 ASP H . . 5.500 5.370 5.071 6.002 0.502 18 1 "[ . 1 . + 2]" 1
1276 1 175 LEU HG 1 183 VAL H . . 5.440 5.216 4.730 6.009 0.569 3 1 "[ + . 1 . 2]" 1
1277 1 176 ASP H 1 179 MET ME . . 5.140 5.218 4.556 5.984 0.844 4 6 "[ *-+* * 1 . *2]" 1
1278 1 176 ASP H 1 183 VAL H . . 5.500 4.830 3.796 5.794 0.294 10 0 "[ . 1 . 2]" 1
1279 1 177 GLY H 1 179 MET ME . . 5.260 4.635 4.087 5.407 0.147 7 0 "[ . 1 . 2]" 1
1280 1 178 ARG H 1 179 MET H . . 3.810 2.483 2.193 3.112 . 0 0 "[ . 1 . 2]" 1
1281 1 178 ARG H 1 179 MET ME . . 4.820 3.699 2.855 4.381 . 0 0 "[ . 1 . 2]" 1
1282 1 179 MET H 1 179 MET ME . . 3.930 3.320 2.846 3.766 . 0 0 "[ . 1 . 2]" 1
1283 1 183 VAL H 1 183 VAL MG1 . . 4.360 3.201 2.324 4.006 . 0 0 "[ . 1 . 2]" 1
1284 1 183 VAL H 1 183 VAL QG . . 3.560 2.575 2.308 3.026 . 0 0 "[ . 1 . 2]" 1
1285 1 183 VAL H 1 183 VAL MG2 . . 4.360 3.305 2.450 4.083 . 0 0 "[ . 1 . 2]" 1
1286 1 183 VAL HA 1 183 VAL MG1 . . 3.680 2.779 2.239 3.270 . 0 0 "[ . 1 . 2]" 1
1287 1 183 VAL HA 1 183 VAL MG2 . . 3.680 2.541 2.245 3.264 . 0 0 "[ . 1 . 2]" 1
1288 1 183 VAL QG 1 184 ASN H . . 3.480 2.615 1.848 3.562 0.082 6 0 "[ . 1 . 2]" 1
1289 1 183 VAL QG 1 185 HIS HA . . 4.710 4.121 3.499 5.087 0.377 5 0 "[ . 1 . 2]" 1
1290 1 183 VAL MG1 1 184 ASN H . . 4.510 3.406 2.013 4.467 . 0 0 "[ . 1 . 2]" 1
1291 1 183 VAL MG2 1 184 ASN H . . 4.510 3.237 1.864 4.409 . 0 0 "[ . 1 . 2]" 1
1292 1 184 ASN H 1 184 ASN HB2 . . 4.210 3.486 2.600 3.977 . 0 0 "[ . 1 . 2]" 1
1293 1 184 ASN H 1 184 ASN QD . . 4.570 3.503 2.123 4.812 0.242 3 0 "[ . 1 . 2]" 1
1294 1 184 ASN H 1 185 HIS H . . 5.050 4.272 3.835 4.661 . 0 0 "[ . 1 . 2]" 1
1295 1 185 HIS H 1 186 GLY H . . 4.110 3.450 2.111 4.092 . 0 0 "[ . 1 . 2]" 1
1296 1 186 GLY H 1 187 ALA H . . 4.520 4.179 2.559 4.647 0.127 8 0 "[ . 1 . 2]" 1
1297 1 186 GLY H 1 187 ALA MB . . 5.500 5.117 3.653 5.634 0.134 13 0 "[ . 1 . 2]" 1
1298 1 186 GLY HA2 1 187 ALA H . . 3.480 2.913 2.279 3.545 0.065 3 0 "[ . 1 . 2]" 1
1299 1 187 ALA H 1 187 ALA MB . . 3.050 2.525 2.204 2.759 . 0 0 "[ . 1 . 2]" 1
1300 1 187 ALA H 1 188 SER H . . 4.750 4.153 3.002 4.662 . 0 0 "[ . 1 . 2]" 1
1301 1 187 ALA MB 1 188 SER H . . 3.570 2.952 2.369 3.797 0.227 18 0 "[ . 1 . 2]" 1
1302 1 188 SER HA 1 189 SER H . . 3.540 2.457 2.171 3.511 . 0 0 "[ . 1 . 2]" 1
1303 1 189 SER H 1 190 GLU H . . 4.760 4.551 4.337 4.675 . 0 0 "[ . 1 . 2]" 1
1304 1 189 SER H 1 192 THR H . . 4.260 4.046 3.485 4.452 0.192 7 0 "[ . 1 . 2]" 1
1305 1 189 SER H 1 192 THR MG . . 3.770 2.768 1.824 3.937 0.167 19 0 "[ . 1 . 2]" 1
1306 1 189 SER H 1 193 LEU H . . 4.730 4.359 3.232 5.481 0.751 7 1 "[ . + 1 . 2]" 1
1307 1 190 GLU H 1 191 ASP H . . 4.090 2.898 2.682 3.066 . 0 0 "[ . 1 . 2]" 1
1308 1 190 GLU H 1 193 LEU H . . 5.050 5.001 4.797 5.129 0.079 7 0 "[ . 1 . 2]" 1
1309 1 190 GLU HA 1 191 ASP HA . . 5.500 4.802 4.693 4.866 . 0 0 "[ . 1 . 2]" 1
1310 1 191 ASP H 1 192 THR H . . 3.580 2.623 2.379 2.768 . 0 0 "[ . 1 . 2]" 1
1311 1 192 THR H 1 192 THR HB . . 4.000 2.795 2.450 3.108 . 0 0 "[ . 1 . 2]" 1
1312 1 192 THR H 1 192 THR MG . . 3.820 2.916 2.110 3.819 . 0 0 "[ . 1 . 2]" 1
1313 1 192 THR H 1 193 LEU H . . 3.700 2.488 1.947 3.017 . 0 0 "[ . 1 . 2]" 1
1314 1 192 THR HA 1 193 LEU HA . . 5.500 4.942 4.814 5.043 . 0 0 "[ . 1 . 2]" 1
1315 1 192 THR HA 1 194 LEU H . . 4.090 3.995 3.601 4.395 0.305 11 0 "[ . 1 . 2]" 1
1316 1 192 THR HA 1 195 LYS H . . 4.120 3.328 3.069 3.823 . 0 0 "[ . 1 . 2]" 1
1317 1 192 THR HA 1 196 ASP H . . 5.010 4.568 3.989 5.346 0.336 5 0 "[ . 1 . 2]" 1
1318 1 192 THR HB 1 193 LEU H . . 4.590 3.945 3.232 4.484 . 0 0 "[ . 1 . 2]" 1
1319 1 192 THR MG 1 193 LEU H . . 3.900 3.617 3.011 4.259 0.359 19 0 "[ . 1 . 2]" 1
1320 1 192 THR MG 1 193 LEU HA . . 3.800 3.999 3.495 4.554 0.754 10 6 "[ *. * + *. - *2]" 1
1321 1 193 LEU H 1 193 LEU QD . . 3.850 3.688 3.362 3.809 . 0 0 "[ . 1 . 2]" 1
1322 1 193 LEU H 1 194 LEU H . . 4.050 3.053 2.850 3.248 . 0 0 "[ . 1 . 2]" 1
1323 1 193 LEU H 1 195 LYS H . . 5.460 4.354 4.212 4.594 . 0 0 "[ . 1 . 2]" 1
1324 1 193 LEU HA 1 193 LEU QD . . 3.250 2.573 2.068 3.383 0.133 19 0 "[ . 1 . 2]" 1
1325 1 193 LEU HA 1 193 LEU HG . . 4.140 3.224 2.556 3.857 . 0 0 "[ . 1 . 2]" 1
1326 1 193 LEU QD 1 194 LEU H . . 3.860 3.365 2.623 4.098 0.238 20 0 "[ . 1 . 2]" 1
1327 1 193 LEU QD 1 197 ALA H . . 3.720 3.498 2.985 4.158 0.438 19 0 "[ . 1 . 2]" 1
1328 1 193 LEU HG 1 194 LEU H . . 4.100 3.686 2.294 4.687 0.587 3 2 "[ + . - 1 . 2]" 1
1329 1 194 LEU H 1 194 LEU QD . . 4.400 3.318 3.156 3.782 . 0 0 "[ . 1 . 2]" 1
1330 1 194 LEU H 1 194 LEU HG . . 4.240 2.799 2.370 3.989 . 0 0 "[ . 1 . 2]" 1
1331 1 194 LEU H 1 195 LYS H . . 4.220 2.830 2.720 3.002 . 0 0 "[ . 1 . 2]" 1
1332 1 194 LEU H 1 196 ASP H . . 4.680 4.678 4.340 4.993 0.313 9 0 "[ . 1 . 2]" 1
1333 1 194 LEU H 1 197 ALA H . . 5.000 4.898 4.688 4.979 . 0 0 "[ . 1 . 2]" 1
1334 1 194 LEU HA 1 194 LEU QD . . 3.240 2.142 2.085 2.345 . 0 0 "[ . 1 . 2]" 1
1335 1 194 LEU HA 1 197 ALA H . . 4.040 3.954 3.573 4.235 0.195 16 0 "[ . 1 . 2]" 1
1336 1 194 LEU HA 1 198 ALA H . . 4.100 3.637 3.370 3.903 . 0 0 "[ . 1 . 2]" 1
1337 1 194 LEU HB2 1 195 LYS H . . 4.510 3.106 2.724 3.683 . 0 0 "[ . 1 . 2]" 1
1338 1 195 LYS H 1 196 ASP H . . 3.900 2.679 2.454 2.851 . 0 0 "[ . 1 . 2]" 1
1339 1 195 LYS H 1 197 ALA H . . 4.470 4.134 3.915 4.408 . 0 0 "[ . 1 . 2]" 1
1340 1 195 LYS HA 1 196 ASP HA . . 5.500 4.750 4.645 4.834 . 0 0 "[ . 1 . 2]" 1
1341 1 195 LYS HA 1 198 ALA H . . 4.460 3.948 3.503 4.301 . 0 0 "[ . 1 . 2]" 1
1342 1 196 ASP H 1 197 ALA MB . . 4.450 4.466 4.263 4.622 0.172 17 0 "[ . 1 . 2]" 1
1343 1 196 ASP HA 1 199 LYS H . . 4.420 3.501 3.282 3.650 . 0 0 "[ . 1 . 2]" 1
1344 1 196 ASP HA 1 200 VAL H . . 4.800 3.885 3.711 4.094 . 0 0 "[ . 1 . 2]" 1
1345 1 197 ALA H 1 197 ALA MB . . 3.450 2.226 2.144 2.262 . 0 0 "[ . 1 . 2]" 1
1346 1 197 ALA H 1 198 ALA H . . 3.600 2.844 2.728 2.959 . 0 0 "[ . 1 . 2]" 1
1347 1 197 ALA HA 1 200 VAL HB . . 4.760 3.320 2.468 4.505 . 0 0 "[ . 1 . 2]" 1
1348 1 197 ALA HA 1 200 VAL QG . . 3.470 3.071 2.081 3.671 0.201 15 0 "[ . 1 . 2]" 1
1349 1 197 ALA HA 1 201 CYS H . . 5.470 3.847 3.622 3.964 . 0 0 "[ . 1 . 2]" 1
1350 1 197 ALA MB 1 198 ALA H . . 3.850 2.535 2.222 2.785 . 0 0 "[ . 1 . 2]" 1
1351 1 198 ALA H 1 198 ALA MB . . 3.270 2.244 2.145 2.281 . 0 0 "[ . 1 . 2]" 1
1352 1 198 ALA H 1 199 LYS H . . 3.900 2.831 2.722 3.032 . 0 0 "[ . 1 . 2]" 1
1353 1 198 ALA H 1 200 VAL H . . 4.940 4.467 4.211 4.602 . 0 0 "[ . 1 . 2]" 1
1354 1 198 ALA H 1 201 CYS H . . 5.370 4.808 4.693 4.950 . 0 0 "[ . 1 . 2]" 1
1355 1 198 ALA HA 1 201 CYS H . . 4.540 3.622 3.447 3.877 . 0 0 "[ . 1 . 2]" 1
1356 1 198 ALA MB 1 199 LYS H . . 3.630 2.546 2.394 2.712 . 0 0 "[ . 1 . 2]" 1
1357 1 199 LYS H 1 200 VAL H . . 3.950 2.932 2.801 3.025 . 0 0 "[ . 1 . 2]" 1
1358 1 199 LYS H 1 200 VAL QG . . 4.240 4.427 4.210 4.561 0.321 7 0 "[ . 1 . 2]" 1
1359 1 199 LYS H 1 201 CYS H . . 4.480 4.429 4.147 4.575 0.095 17 0 "[ . 1 . 2]" 1
1360 1 199 LYS HA 1 201 CYS H . . 5.500 4.808 4.598 4.979 . 0 0 "[ . 1 . 2]" 1
1361 1 199 LYS HA 1 202 ARG H . . 4.440 3.705 3.334 3.912 . 0 0 "[ . 1 . 2]" 1
1362 1 200 VAL H 1 200 VAL HB . . 3.490 2.567 2.435 2.764 . 0 0 "[ . 1 . 2]" 1
1363 1 200 VAL H 1 200 VAL MG1 . . 3.820 3.460 2.213 3.876 0.056 12 0 "[ . 1 . 2]" 1
1364 1 200 VAL H 1 200 VAL QG . . 3.120 2.289 2.197 2.602 . 0 0 "[ . 1 . 2]" 1
1365 1 200 VAL H 1 200 VAL MG2 . . 3.820 2.681 2.209 3.857 0.037 2 0 "[ . 1 . 2]" 1
1366 1 200 VAL H 1 201 CYS H . . 4.040 2.877 2.772 3.019 . 0 0 "[ . 1 . 2]" 1
1367 1 200 VAL H 1 202 ARG H . . 4.770 4.283 4.173 4.421 . 0 0 "[ . 1 . 2]" 1
1368 1 200 VAL HA 1 200 VAL MG1 . . 3.740 2.605 2.293 3.258 . 0 0 "[ . 1 . 2]" 1
1369 1 200 VAL HA 1 200 VAL QG . . 3.070 2.137 2.086 2.255 . 0 0 "[ . 1 . 2]" 1
1370 1 200 VAL HA 1 200 VAL MG2 . . 3.740 2.331 2.170 2.415 . 0 0 "[ . 1 . 2]" 1
1371 1 200 VAL HA 1 201 CYS HA . . 4.920 4.831 4.690 4.912 . 0 0 "[ . 1 . 2]" 1
1372 1 200 VAL HA 1 203 GLU H . . 4.080 3.578 3.239 3.714 . 0 0 "[ . 1 . 2]" 1
1373 1 200 VAL HA 1 204 PHE H . . 5.150 3.942 3.793 4.078 . 0 0 "[ . 1 . 2]" 1
1374 1 200 VAL HB 1 201 CYS H . . 3.980 2.969 2.516 4.094 0.114 9 0 "[ . 1 . 2]" 1
1375 1 200 VAL QG 1 201 CYS H . . 3.340 2.946 2.223 3.351 0.011 6 0 "[ . 1 . 2]" 1
1376 1 200 VAL QG 1 201 CYS HA . . 4.210 3.437 3.117 3.714 . 0 0 "[ . 1 . 2]" 1
1377 1 200 VAL QG 1 203 GLU H . . 4.710 4.542 4.269 4.622 . 0 0 "[ . 1 . 2]" 1
1378 1 200 VAL QG 1 204 PHE H . . 4.230 3.936 3.703 4.104 . 0 0 "[ . 1 . 2]" 1
1379 1 200 VAL MG1 1 201 CYS H . . 3.850 3.079 2.239 3.604 . 0 0 "[ . 1 . 2]" 1
1380 1 200 VAL MG1 1 203 GLU H . . 5.480 5.045 4.588 5.478 . 0 0 "[ . 1 . 2]" 1
1381 1 200 VAL MG2 1 201 CYS H . . 3.850 3.933 3.703 4.067 0.217 10 0 "[ . 1 . 2]" 1
1382 1 200 VAL MG2 1 203 GLU H . . 5.480 5.204 4.943 5.469 . 0 0 "[ . 1 . 2]" 1
1383 1 201 CYS H 1 203 GLU H . . 5.500 4.585 4.352 4.709 . 0 0 "[ . 1 . 2]" 1
1384 1 201 CYS HA 1 204 PHE QD . . 4.230 3.977 3.062 4.719 0.489 20 0 "[ . 1 . 2]" 1
1385 1 201 CYS HA 1 205 THR MG . . 4.690 4.731 4.585 4.839 0.149 8 0 "[ . 1 . 2]" 1
1386 1 202 ARG H 1 203 GLU H . . 4.030 2.988 2.834 3.087 . 0 0 "[ . 1 . 2]" 1
1387 1 202 ARG H 1 204 PHE H . . 4.470 4.261 4.161 4.473 0.003 4 0 "[ . 1 . 2]" 1
1388 1 202 ARG H 1 205 THR MG . . 5.130 4.308 4.188 4.396 . 0 0 "[ . 1 . 2]" 1
1389 1 203 GLU H 1 204 PHE QD . . 5.390 4.905 4.443 6.193 0.803 14 2 "[ . 1 +. - 2]" 1
1390 1 204 PHE H 1 205 THR MG . . 4.350 4.467 4.347 4.585 0.235 17 0 "[ . 1 . 2]" 1
1391 1 204 PHE HB2 1 205 THR H . . 4.560 2.800 2.415 3.932 . 0 0 "[ . 1 . 2]" 1
1392 1 204 PHE QD 1 205 THR H . . 4.640 4.358 2.612 4.669 0.029 6 0 "[ . 1 . 2]" 1
1393 1 205 THR H 1 205 THR HB . . 3.890 2.459 2.350 2.612 . 0 0 "[ . 1 . 2]" 1
1394 1 205 THR H 1 205 THR MG . . 3.270 2.442 2.316 2.537 . 0 0 "[ . 1 . 2]" 1
1395 1 205 THR H 1 207 ARG H . . 4.430 4.305 4.086 4.519 0.089 16 0 "[ . 1 . 2]" 1
1396 1 205 THR HA 1 205 THR MG . . 3.710 3.257 3.234 3.271 . 0 0 "[ . 1 . 2]" 1
1397 1 206 GLU H 1 207 ARG H . . 3.820 2.691 2.557 2.851 . 0 0 "[ . 1 . 2]" 1
1398 1 206 GLU H 1 208 GLU H . . 4.350 4.302 4.088 4.730 0.380 5 0 "[ . 1 . 2]" 1
1399 1 206 GLU HA 1 208 GLU H . . 4.190 4.171 3.462 4.725 0.535 9 1 "[ . +1 . 2]" 1
1400 1 206 GLU HG2 1 207 ARG H . . 5.350 4.558 3.851 5.205 . 0 0 "[ . 1 . 2]" 1
1401 1 207 ARG H 1 208 GLU H . . 3.250 2.712 2.594 2.946 . 0 0 "[ . 1 . 2]" 1
1402 1 208 GLU H 1 209 GLN H . . 4.710 4.308 2.700 4.714 0.004 17 0 "[ . 1 . 2]" 1
1403 1 208 GLU HA 1 209 GLN H . . 3.210 2.486 2.161 3.632 0.422 18 0 "[ . 1 . 2]" 1
1404 1 209 GLN H 1 209 GLN HB2 . . 3.720 3.039 2.220 3.803 0.083 11 0 "[ . 1 . 2]" 1
1405 1 209 GLN H 1 209 GLN QE . . 5.210 4.706 3.489 5.689 0.479 9 0 "[ . 1 . 2]" 1
1406 1 209 GLN H 1 210 GLY H . . 4.740 3.974 2.447 4.672 . 0 0 "[ . 1 . 2]" 1
1407 1 210 GLY H 1 211 GLU H . . 4.880 2.978 2.027 4.258 . 0 0 "[ . 1 . 2]" 1
1408 1 211 GLU HA 1 212 VAL H . . 3.050 2.544 2.099 3.451 0.401 4 0 "[ . 1 . 2]" 1
1409 1 212 VAL H 1 212 VAL HB . . 3.950 3.049 2.596 3.879 . 0 0 "[ . 1 . 2]" 1
1410 1 212 VAL H 1 212 VAL QG . . 3.210 2.379 1.906 2.782 . 0 0 "[ . 1 . 2]" 1
1411 1 212 VAL H 1 213 ARG H . . 3.890 2.781 1.931 4.365 0.475 8 0 "[ . 1 . 2]" 1
1412 1 212 VAL HA 1 212 VAL QG . . 3.250 2.159 2.120 2.302 . 0 0 "[ . 1 . 2]" 1
1413 1 212 VAL HB 1 213 ARG HA . . 4.970 4.857 4.119 5.149 0.179 18 0 "[ . 1 . 2]" 1
1414 1 212 VAL QG 1 213 ARG H . . 3.800 3.556 2.769 3.802 0.002 14 0 "[ . 1 . 2]" 1
1415 1 212 VAL QG 1 214 PHE H . . 4.780 4.369 3.005 5.152 0.372 12 0 "[ . 1 . 2]" 1
1416 1 213 ARG H 1 214 PHE H . . 4.410 2.739 2.038 4.138 . 0 0 "[ . 1 . 2]" 1
1417 1 213 ARG H 1 214 PHE HA . . 5.330 4.892 4.389 5.665 0.335 7 0 "[ . 1 . 2]" 1
1418 1 213 ARG HA 1 214 PHE H . . 3.260 2.875 2.046 3.364 0.104 5 0 "[ . 1 . 2]" 1
1419 1 214 PHE H 1 214 PHE QD . . 3.980 2.863 2.032 4.252 0.272 6 0 "[ . 1 . 2]" 1
1420 1 215 SER HA 1 216 ALA H . . 3.240 2.276 2.186 2.374 . 0 0 "[ . 1 . 2]" 1
1421 1 215 SER HA 1 216 ALA MB . . 4.020 3.889 3.709 4.003 . 0 0 "[ . 1 . 2]" 1
1422 1 216 ALA H 1 216 ALA MB . . 3.250 2.651 2.535 2.737 . 0 0 "[ . 1 . 2]" 1
1423 1 216 ALA H 1 217 VAL HA . . 4.980 4.942 4.789 5.032 0.052 9 0 "[ . 1 . 2]" 1
1424 1 216 ALA H 1 217 VAL QG . . 3.670 3.584 3.357 3.791 0.121 4 0 "[ . 1 . 2]" 1
1425 1 216 ALA HA 1 217 VAL QG . . 4.030 3.512 3.293 3.816 . 0 0 "[ . 1 . 2]" 1
1426 1 216 ALA MB 1 217 VAL H . . 3.690 3.037 2.518 3.269 . 0 0 "[ . 1 . 2]" 1
1427 1 216 ALA MB 1 217 VAL HA . . 4.660 4.137 3.950 4.256 . 0 0 "[ . 1 . 2]" 1
1428 1 217 VAL H 1 217 VAL QG . . 3.550 2.645 2.286 3.027 . 0 0 "[ . 1 . 2]" 1
1429 1 217 VAL HA 1 218 ALA HA . . 5.050 4.499 4.455 4.544 . 0 0 "[ . 1 . 2]" 1
1430 1 217 VAL HA 1 218 ALA MB . . 4.810 3.994 3.728 4.157 . 0 0 "[ . 1 . 2]" 1
1431 1 217 VAL HB 1 218 ALA H . . 4.320 3.471 2.385 4.305 . 0 0 "[ . 1 . 2]" 1
1432 1 217 VAL HB 1 218 ALA HA . . 4.980 4.729 4.396 5.110 0.130 2 0 "[ . 1 . 2]" 1
1433 1 217 VAL QG 1 218 ALA H . . 3.400 2.932 2.426 3.570 0.170 16 0 "[ . 1 . 2]" 1
1434 1 218 ALA H 1 218 ALA MB . . 3.430 2.361 2.261 2.475 . 0 0 "[ . 1 . 2]" 1
1435 1 218 ALA H 1 219 LEU H . . 5.150 4.365 4.161 4.564 . 0 0 "[ . 1 . 2]" 1
1436 1 218 ALA MB 1 219 LEU H . . 3.580 3.133 2.770 3.445 . 0 0 "[ . 1 . 2]" 1
1437 1 219 LEU H 1 219 LEU MD1 . . 4.750 4.110 4.023 4.229 . 0 0 "[ . 1 . 2]" 1
1438 1 219 LEU H 1 219 LEU QD . . 3.880 3.753 3.689 3.846 . 0 0 "[ . 1 . 2]" 1
1439 1 219 LEU H 1 219 LEU MD2 . . 4.750 4.338 4.271 4.419 . 0 0 "[ . 1 . 2]" 1
1440 1 219 LEU H 1 220 CYS H . . 4.720 4.227 4.071 4.404 . 0 0 "[ . 1 . 2]" 1
1441 1 219 LEU HA 1 219 LEU QD . . 3.410 2.160 2.084 2.242 . 0 0 "[ . 1 . 2]" 1
1442 1 219 LEU HB2 1 220 CYS H . . 5.500 4.432 4.329 4.515 . 0 0 "[ . 1 . 2]" 1
1443 1 219 LEU QD 1 220 CYS H . . 3.650 2.500 2.330 2.717 . 0 0 "[ . 1 . 2]" 1
1444 1 219 LEU QD 1 220 CYS HA . . 5.440 3.029 2.661 3.337 . 0 0 "[ . 1 . 2]" 1
1445 1 219 LEU QD 1 222 ALA H . . 5.440 5.103 4.692 5.629 0.189 2 0 "[ . 1 . 2]" 1
1446 1 219 LEU MD1 1 220 CYS H . . 4.540 3.394 3.011 3.685 . 0 0 "[ . 1 . 2]" 1
1447 1 219 LEU MD2 1 220 CYS H . . 4.540 2.588 2.388 3.038 . 0 0 "[ . 1 . 2]" 1
1448 1 219 LEU HG 1 220 CYS H . . 5.250 5.066 4.898 5.263 0.013 5 0 "[ . 1 . 2]" 1
1449 1 220 CYS H 1 221 LYS H . . 4.520 4.442 4.414 4.491 . 0 0 "[ . 1 . 2]" 1
1450 1 220 CYS HA 1 221 LYS HA . . 5.320 4.373 4.320 4.438 . 0 0 "[ . 1 . 2]" 1
1451 1 220 CYS HA 1 222 ALA H . . 5.470 5.410 4.768 6.065 0.595 2 2 "[ + . 1 -. 2]" 1
1452 1 220 CYS HB2 1 221 LYS H . . 4.340 2.483 2.414 2.556 . 0 0 "[ . 1 . 2]" 1
1453 1 221 LYS H 1 221 LYS HB2 . . 4.160 2.486 2.337 2.644 . 0 0 "[ . 1 . 2]" 1
1454 1 221 LYS H 1 221 LYS HG2 . . 5.500 4.564 4.520 4.606 . 0 0 "[ . 1 . 2]" 1
1455 1 221 LYS H 1 222 ALA H . . 4.500 4.193 3.791 4.568 0.068 14 0 "[ . 1 . 2]" 1
1456 1 221 LYS H 1 222 ALA MB . . 5.270 5.034 4.352 5.466 0.196 12 0 "[ . 1 . 2]" 1
1457 1 221 LYS HA 1 221 LYS HG2 . . 4.250 2.776 2.668 3.039 . 0 0 "[ . 1 . 2]" 1
1458 1 221 LYS HA 1 222 ALA H . . 3.480 2.193 2.092 2.408 . 0 0 "[ . 1 . 2]" 1
1459 1 221 LYS HA 1 222 ALA HA . . 4.620 4.505 4.291 4.621 0.001 15 0 "[ . 1 . 2]" 1
1460 1 221 LYS HA 1 222 ALA MB . . 4.170 4.030 3.828 4.354 0.184 17 0 "[ . 1 . 2]" 1
1461 1 221 LYS HB2 1 222 ALA H . . 5.500 4.540 4.360 4.655 . 0 0 "[ . 1 . 2]" 1
1462 1 221 LYS HG2 1 222 ALA H . . 4.990 3.633 2.897 4.188 . 0 0 "[ . 1 . 2]" 1
1463 1 222 ALA H 1 222 ALA MB . . 3.340 2.399 2.195 2.684 . 0 0 "[ . 1 . 2]" 1
1464 1 222 ALA H 1 223 ALA H . . 4.480 4.221 3.179 4.694 0.214 8 0 "[ . 1 . 2]" 1
1465 1 222 ALA HA 1 223 ALA H . . 3.050 2.464 2.184 3.498 0.448 3 0 "[ . 1 . 2]" 1
1466 1 222 ALA MB 1 223 ALA H . . 3.730 2.761 1.946 3.771 0.041 13 0 "[ . 1 . 2]" 1
1467 1 223 ALA H 1 223 ALA MB . . 2.970 2.276 2.163 2.770 . 0 0 "[ . 1 . 2]" 1
1468 1 223 ALA HA 1 224 LEU H . . 2.880 2.401 2.121 3.395 0.515 13 1 "[ . 1 + . 2]" 1
1469 1 224 LEU H 1 224 LEU QD . . 4.210 3.548 1.986 4.134 . 0 0 "[ . 1 . 2]" 1
1470 1 224 LEU H 1 224 LEU HG . . 5.290 4.326 2.712 4.786 . 0 0 "[ . 1 . 2]" 1
1471 1 224 LEU HA 1 224 LEU QD . . 3.720 2.697 2.133 3.476 . 0 0 "[ . 1 . 2]" 1
1472 1 224 LEU HA 1 224 LEU HG . . 3.860 2.897 2.240 3.796 . 0 0 "[ . 1 . 2]" 1
1473 1 224 LEU HA 1 225 GLU H . . 3.160 2.358 2.134 3.159 . 0 0 "[ . 1 . 2]" 1
1474 1 224 LEU QD 1 225 GLU H . . 4.040 2.892 2.058 3.862 . 0 0 "[ . 1 . 2]" 1
1475 1 224 LEU MD1 1 225 GLU H . . 4.870 3.619 2.063 5.210 0.340 16 0 "[ . 1 . 2]" 1
1476 1 224 LEU MD2 1 225 GLU H . . 4.870 3.689 2.300 4.474 . 0 0 "[ . 1 . 2]" 1
1477 1 224 LEU HG 1 225 GLU H . . 3.650 2.898 1.822 4.079 0.429 9 0 "[ . 1 . 2]" 1
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