NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
619363 |
5ue2   |
25485 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5ue2
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 1702
_Distance_constraint_stats_list.Viol_count 5202
_Distance_constraint_stats_list.Viol_total 22213.188
_Distance_constraint_stats_list.Viol_max 1.244
_Distance_constraint_stats_list.Viol_rms 0.1423
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0510
_Distance_constraint_stats_list.Viol_average_violations_only 0.2669
_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 1.405 0.396 13 0 "[ . 1 . ]"
1 3 GLU 1.405 0.396 13 0 "[ . 1 . ]"
1 4 ALA 3.487 0.442 15 0 "[ . 1 . ]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 10 LEU 2.333 0.354 11 0 "[ . 1 . ]"
1 11 GLN 2.664 0.775 7 1 "[ . + 1 . ]"
1 12 TRP 2.505 0.442 15 0 "[ . 1 . ]"
1 13 GLU 5.738 0.354 11 0 "[ . 1 . ]"
1 14 GLN 4.675 0.566 14 1 "[ . 1 +. ]"
1 15 ALA 4.378 0.615 16 1 "[ . 1 .+]"
1 16 GLN 17.872 0.891 14 9 "[ - .* *** *+**]"
1 17 ASP 2.031 0.340 8 0 "[ . 1 . ]"
1 18 TYR 20.771 0.776 16 9 "[ - .** ** ***.+]"
1 19 LEU 4.593 0.508 2 1 "[ + . 1 . ]"
1 20 LYS 26.960 0.913 10 5 "[ ** . + *- . ]"
1 21 ARG 22.119 0.666 16 3 "[ * . - 1 .+]"
1 22 PHE 12.422 0.869 6 5 "[ * **+ - 1 . ]"
1 23 TYR 11.466 1.244 13 10 "[* - *****1 +** ]"
1 24 LEU 15.478 0.869 6 8 "[*****+- 1 *. ]"
1 25 TYR 6.204 0.320 14 0 "[ . 1 . ]"
1 26 ASP 3.606 0.253 12 0 "[ . 1 . ]"
1 27 SER 0.391 0.320 14 0 "[ . 1 . ]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 29 THR 0.749 0.290 12 0 "[ . 1 . ]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 31 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 33 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 34 SER 1.277 0.290 12 0 "[ . 1 . ]"
1 35 LEU 4.855 0.891 14 4 "[ * . - +.*]"
1 36 GLU 14.164 0.831 1 14 "[+****-** ** ****]"
1 37 ALA 14.950 0.831 1 14 "[+****-** ** ****]"
1 38 LYS 4.972 0.478 13 0 "[ . 1 . ]"
1 39 LEU 5.223 0.478 13 0 "[ . 1 . ]"
1 40 LYS 19.544 0.624 11 3 "[ -* 1+ . ]"
1 41 GLU 8.322 0.309 13 0 "[ . 1 . ]"
1 42 MET 20.784 0.856 10 7 "[* .** +* - .*]"
1 43 GLN 20.743 0.970 8 10 "[** ** -+** **]"
1 44 LYS 9.870 0.693 13 4 "[ .- ** + . ]"
1 45 PHE 18.284 0.824 13 8 "[** * - * + **]"
1 46 PHE 32.317 1.020 9 14 "[********+- ****]"
1 47 GLY 14.349 0.585 16 2 "[ . 1 - .+]"
1 48 LEU 22.451 1.020 9 12 "[***-****+1 ***]"
1 49 PRO 6.033 0.581 8 2 "[ . + 1 -. ]"
1 50 ILE 21.877 0.758 15 3 "[ . * 1 -+ ]"
1 51 THR 3.915 0.484 5 0 "[ . 1 . ]"
1 52 GLY 17.308 0.970 8 5 "[ -* *+ 1* . ]"
1 53 MET 8.719 0.744 8 3 "[* . -+ 1 . ]"
1 54 LEU 1.032 0.295 12 0 "[ . 1 . ]"
1 55 ASN 3.700 0.557 9 1 "[ . +1 . ]"
1 56 SER 2.476 0.583 9 1 "[ . +1 . ]"
1 57 ARG 8.386 0.758 15 4 "[ -.* * 1 + ]"
1 58 VAL 14.276 0.583 9 2 "[ - . +1 . ]"
1 59 ILE 13.108 0.636 8 4 "[ -.* + 1 * ]"
1 60 GLU 22.830 1.152 3 13 "[**+ **********. ]"
1 61 ILE 35.007 0.886 6 12 "[*** .+** -*** **]"
1 62 MET 20.820 1.152 3 13 "[**+ **** ***-*.*]"
1 63 GLN 12.730 0.886 6 9 "[ ** .+ * -*** * ]"
1 64 LYS 7.264 0.965 14 3 "[ * -1 +. ]"
1 65 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 66 ARG 6.134 0.779 6 1 "[ .+ 1 . ]"
1 67 CYS 6.025 0.537 6 2 "[ .+ 1 - ]"
1 68 GLY 10.673 0.658 16 4 "[ *. 1 * -.+]"
1 69 VAL 21.505 0.966 4 15 [***+*****1****-*]
1 70 PRO 11.711 0.597 2 6 "[*+**. - 1 *. ]"
1 71 ASP 0.245 0.169 15 0 "[ . 1 . ]"
1 72 VAL 12.894 1.244 13 10 "[* - *****1 +** ]"
1 73 ALA 10.885 0.532 2 1 "[ + . 1 . ]"
1 74 GLU 11.186 0.532 2 1 "[ + . 1 . ]"
1 75 TYR 0.049 0.049 4 0 "[ . 1 . ]"
1 76 SER 2.648 0.477 4 0 "[ . 1 . ]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 78 PHE 3.995 0.477 4 0 "[ . 1 . ]"
1 79 PRO 14.539 0.692 9 7 "[ * . *+* * *.-]"
1 81 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 82 PRO 2.790 0.440 5 0 "[ . 1 . ]"
1 83 LYS 34.524 1.186 12 14 "[** *.******+****]"
1 84 TRP 20.616 0.911 8 15 "[*-*** *+********]"
1 85 THR 0.490 0.162 9 0 "[ . 1 . ]"
1 86 SER 3.781 0.270 13 0 "[ . 1 . ]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 88 VAL 14.450 0.692 14 12 "[* * .*******-+.*]"
1 89 VAL 13.198 0.558 12 4 "[ .- 1 +**. ]"
1 90 THR 6.225 0.623 12 1 "[ . 1 + . ]"
1 91 TYR 15.290 0.622 13 3 "[ . - 1 +*. ]"
1 92 ARG 19.930 1.105 15 5 "[ *- * 1* + ]"
1 93 ILE 23.409 0.743 4 7 "[* +.* *1* *-]"
1 94 VAL 0.667 0.161 12 0 "[ . 1 . ]"
1 95 SER 0.715 0.315 5 0 "[ . 1 . ]"
1 96 TYR 9.145 0.804 7 6 "[ * + *- *.*]"
1 97 THR 4.026 0.491 6 0 "[ . 1 . ]"
1 98 ARG 8.627 0.566 2 2 "[ + . 1 - ]"
1 99 ASP 9.125 0.566 2 2 "[ + . 1 - ]"
1 100 LEU 6.598 0.431 10 0 "[ . 1 . ]"
1 101 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 102 HIS 16.724 0.804 7 11 "[* ***+ *** **-]"
1 103 ILE 26.678 0.883 2 16 [*+***********-**]
1 104 THR 26.260 0.902 11 16 [-*********+*****]
1 105 VAL 28.659 0.865 1 16 [+**************-]
1 106 ASP 9.550 0.511 16 1 "[ . 1 .+]"
1 107 ARG 17.505 0.538 5 2 "[ + - . ]"
1 108 LEU 31.031 1.114 10 16 [*********+*****-]
1 109 VAL 28.613 0.757 14 13 "[* *-*** *****+.*]"
1 110 SER 14.249 0.471 14 0 "[ . 1 . ]"
1 111 LYS 13.294 0.408 1 0 "[ . 1 . ]"
1 112 ALA 7.184 0.417 15 0 "[ . 1 . ]"
1 113 LEU 18.230 0.682 1 12 "[+****** *-* *.*]"
1 114 ASN 29.700 0.832 8 14 "[*******+**-* *.*]"
1 115 MET 21.020 0.823 11 9 "[ ** .* * *+ *-.*]"
1 116 TRP 32.701 0.941 13 12 "[* * ***-*** +*.*]"
1 117 GLY 12.207 0.686 10 4 "[ * . + - .*]"
1 118 LYS 27.498 0.941 13 13 "[* *****-*** +*.*]"
1 119 GLU 13.621 0.711 11 16 [*******-**+*****]
1 120 ILE 23.430 0.702 9 6 "[ **. +* - .*]"
1 121 PRO 0.280 0.055 8 0 "[ . 1 . ]"
1 122 LEU 18.450 0.575 16 3 "[- *. 1 .+]"
1 123 HIS 24.688 0.692 14 12 "[* * .*******-+.*]"
1 124 PHE 10.569 0.530 11 1 "[ . 1+ . ]"
1 125 ARG 19.695 0.533 6 4 "[ * -.+ 1* . ]"
1 126 LYS 19.219 0.784 7 7 "[ * **+ 1 ** * ]"
1 127 VAL 26.810 1.117 9 15 [*******-+1******]
1 128 VAL 15.236 0.672 11 2 "[ . * 1+ . ]"
1 129 TRP 29.878 1.117 9 15 [********+1-*****]
1 130 GLY 3.252 0.257 6 0 "[ . 1 . ]"
1 131 THR 1.396 0.400 12 0 "[ . 1 . ]"
1 132 ALA 4.308 1.105 15 2 "[ .- 1 + ]"
1 133 ASP 1.474 0.623 12 1 "[ . 1 + . ]"
1 134 ILE 9.198 0.535 2 1 "[ + . 1 . ]"
1 135 MET 4.820 0.535 2 1 "[ + . 1 . ]"
1 136 ILE 27.747 0.568 14 1 "[ . 1 +. ]"
1 137 GLY 5.402 0.361 14 0 "[ . 1 . ]"
1 138 PHE 8.205 0.485 12 0 "[ . 1 . ]"
1 139 ALA 19.750 1.167 11 11 "[****. **+* -**]"
1 140 ARG 7.677 1.003 14 6 "[ * *. 1** +.*]"
1 141 GLY 3.475 0.540 5 3 "[* + - 1 . ]"
1 142 ALA 3.136 0.417 7 0 "[ . 1 . ]"
1 143 HIS 12.399 1.050 10 6 "[ * -. * +* *. ]"
1 145 ASP 10.366 1.050 10 6 "[ * -. * +* *. ]"
1 146 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 147 TYR 8.502 0.381 16 0 "[ . 1 . ]"
1 148 PRO 3.205 0.381 16 0 "[ . 1 . ]"
1 149 PHE 5.486 1.003 14 4 "[ * *. 1 * +. ]"
1 150 ASP 7.244 0.797 6 5 "[* *+ * 1 .-]"
1 151 GLY 2.944 0.797 6 1 "[ .+ 1 . ]"
1 152 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 153 GLY 4.743 0.340 5 0 "[ . 1 . ]"
1 154 ASN 7.011 0.368 4 0 "[ . 1 . ]"
1 155 THR 26.208 0.666 16 10 "[ - *.****1** *+]"
1 156 LEU 39.996 1.061 7 15 "[*-****+***** ***]"
1 157 ALA 9.772 0.651 9 5 "[ *.* +1* - ]"
1 158 HIS 13.456 0.578 15 4 "[ . 1-* +*]"
1 159 ALA 16.475 0.966 4 14 [***+*****1***-.*]
1 160 PHE 20.012 0.840 10 7 "[* * * * +* .-]"
1 161 ALA 4.712 0.855 9 3 "[ . *+- . ]"
1 162 PRO 0.039 0.039 16 0 "[ . 1 . ]"
1 163 GLY 15.827 0.855 9 6 "[ * . *+1 * *.-]"
1 165 GLY 5.719 0.580 12 1 "[ . 1 + . ]"
1 166 LEU 0.016 0.016 6 0 "[ . 1 . ]"
1 167 GLY 5.735 0.580 12 1 "[ . 1 + . ]"
1 168 GLY 8.265 0.911 8 7 "[ . +*1****.-]"
1 169 ASP 6.483 0.840 10 6 "[* * * * + .-]"
1 170 ALA 5.304 0.379 2 0 "[ . 1 . ]"
1 171 HIS 3.346 0.528 16 1 "[ . 1 .+]"
1 172 PHE 18.231 0.725 8 12 "[* *****+ -****. ]"
1 173 ASP 29.886 0.889 2 14 "[*+****** -***** ]"
1 174 GLU 20.767 1.167 11 10 "[****. **+* -* ]"
1 175 ASP 11.653 0.889 2 8 "[*+**. 1*- ** ]"
1 176 GLU 6.794 0.432 6 0 "[ . 1 . ]"
1 177 ARG 14.254 0.882 12 11 "[** *- ** **+* .*]"
1 178 TRP 37.866 0.755 11 9 "[* ***- *1+ **. ]"
1 179 THR 4.587 0.506 9 1 "[ . +1 . ]"
1 180 ASP 11.194 0.686 7 15 "[*** **+*-*******]"
1 181 GLY 0.401 0.302 5 0 "[ . 1 . ]"
1 182 SER 9.529 0.686 7 15 "[*** **+*-*******]"
1 183 SER 0.456 0.091 9 0 "[ . 1 . ]"
1 184 LEU 3.027 0.194 14 0 "[ . 1 . ]"
1 185 GLY 4.297 0.506 9 1 "[ . +1 . ]"
1 186 ILE 48.453 1.061 7 16 [**-***+*********]
1 187 ASN 0.675 0.129 14 0 "[ . 1 . ]"
1 188 PHE 37.371 1.114 10 16 [-********+******]
1 189 LEU 8.281 0.705 14 9 "[* * . * **** +- ]"
1 190 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 191 ALA 8.281 0.705 14 9 "[* * . * **** +- ]"
1 192 ALA 10.113 0.757 14 13 "[* *-*** *****+.*]"
1 193 THR 1.576 0.662 9 1 "[ . +1 . ]"
1 194 HIS 0.692 0.193 13 0 "[ . 1 . ]"
1 195 ALA 0.306 0.110 6 0 "[ . 1 . ]"
1 196 LEU 8.540 0.396 6 0 "[ . 1 . ]"
1 197 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 198 HIS 28.059 0.900 10 16 [*********+****-*]
1 199 SER 7.502 0.767 15 7 "[*-*** * 1 + ]"
1 200 LEU 20.617 0.900 10 16 [*********+**-***]
1 201 GLY 6.988 0.544 14 1 "[ . 1 +. ]"
1 202 MET 30.080 0.714 3 7 "[ + . **1****. ]"
1 203 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 204 HIS 4.137 0.598 15 1 "[ . 1 + ]"
1 205 SER 14.026 1.034 15 16 [**************+-]
1 206 SER 6.991 0.585 16 2 "[ . 1 - .+]"
1 207 ASP 3.240 0.746 12 4 "[* * .- 1 + . ]"
1 209 ASN 5.091 0.582 14 1 "[ . 1 +. ]"
1 210 ALA 18.976 0.757 6 10 "[ -*+**** * ** ]"
1 211 VAL 16.950 0.853 6 16 [*****+********-*]
1 212 MET 2.474 0.677 6 2 "[ .+ 1 .-]"
1 213 TYR 21.010 1.034 15 16 [*********-****+*]
1 214 PRO 7.307 0.824 13 7 "[** * - * + * ]"
1 215 THR 6.996 0.874 7 3 "[ . +* - . ]"
1 216 TYR 2.807 0.482 9 0 "[ . 1 . ]"
1 217 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 218 ASN 1.299 0.348 4 0 "[ . 1 . ]"
1 219 GLY 0.638 0.348 4 0 "[ . 1 . ]"
1 222 GLN 1.654 0.398 7 0 "[ . 1 . ]"
1 223 ASN 8.480 0.799 13 8 "[ - * * ** + **]"
1 224 PHE 9.461 0.799 13 8 "[ - * * ** + **]"
1 225 LYS 10.904 0.570 5 4 "[ + 1**- . ]"
1 226 LEU 15.842 0.823 11 6 "[ * . * -+ * .*]"
1 227 SER 11.790 0.853 6 16 [*****+********-*]
1 228 GLN 24.536 1.132 8 11 "[ * -***+** * ** ]"
1 229 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 230 ASP 56.011 1.132 8 16 [*******+*****-**]
1 231 ILE 38.952 0.850 6 16 [*****+***-******]
1 232 LYS 32.263 0.982 3 13 "[ *+*.******- ***]"
1 233 GLY 13.285 0.543 3 2 "[ + . 1 - . ]"
1 234 ILE 21.447 0.723 3 6 "[ + . -*1** *. ]"
1 235 GLN 6.725 0.409 11 0 "[ . 1 . ]"
1 236 LYS 17.727 0.738 8 6 "[ *- ** + 1 * . ]"
1 237 LEU 27.383 1.186 12 15 "[**-*** ****+****]"
1 238 TYR 29.835 0.849 13 11 "[* * .*-*** *+*.*]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLN QG 1 3 GLU H . . 3.830 3.250 2.196 4.226 0.396 13 0 "[ . 1 . ]" 1
2 1 4 ALA H 1 4 ALA MB . . 3.610 2.304 2.247 2.333 . 0 0 "[ . 1 . ]" 1
3 1 4 ALA MB 1 12 TRP HE3 . . 4.400 3.741 2.354 4.842 0.442 15 0 "[ . 1 . ]" 1
4 1 4 ALA MB 1 59 ILE HB . . 4.530 4.423 3.724 4.938 0.408 5 0 "[ . 1 . ]" 1
5 1 4 ALA MB 1 59 ILE QG . . 4.270 3.178 2.243 4.157 . 0 0 "[ . 1 . ]" 1
6 1 4 ALA MB 1 59 ILE MG . . 5.120 2.899 2.075 4.561 . 0 0 "[ . 1 . ]" 1
7 1 9 GLU H 1 10 LEU H . . 3.600 2.935 2.826 3.153 . 0 0 "[ . 1 . ]" 1
8 1 9 GLU HA 1 12 TRP QB . . 4.120 2.400 2.246 2.700 . 0 0 "[ . 1 . ]" 1
9 1 10 LEU H 1 10 LEU QB . . 3.660 2.324 2.187 2.608 . 0 0 "[ . 1 . ]" 1
10 1 10 LEU H 1 11 GLN H . . 3.240 2.884 2.659 3.092 . 0 0 "[ . 1 . ]" 1
11 1 10 LEU H 1 13 GLU H . . 4.570 4.703 4.573 4.924 0.354 11 0 "[ . 1 . ]" 1
12 1 10 LEU QB 1 11 GLN H . . 3.620 2.614 2.459 3.697 0.077 3 0 "[ . 1 . ]" 1
13 1 10 LEU HB2 1 11 GLN H . . 4.230 3.174 2.522 3.996 . 0 0 "[ . 1 . ]" 1
14 1 10 LEU HB3 1 11 GLN H . . 4.230 3.016 2.495 4.358 0.128 3 0 "[ . 1 . ]" 1
15 1 11 GLN H 1 11 GLN QE . . 3.430 3.189 2.694 4.205 0.775 7 1 "[ . + 1 . ]" 1
16 1 11 GLN H 1 12 TRP H . . 3.160 2.792 2.617 2.929 . 0 0 "[ . 1 . ]" 1
17 1 11 GLN H 1 13 GLU H . . 4.140 4.203 3.981 4.401 0.261 11 0 "[ . 1 . ]" 1
18 1 12 TRP H 1 12 TRP HB2 . . 4.170 2.647 2.532 2.757 . 0 0 "[ . 1 . ]" 1
19 1 12 TRP H 1 12 TRP HB3 . . 4.170 2.461 2.363 2.590 . 0 0 "[ . 1 . ]" 1
20 1 12 TRP H 1 13 GLU H . . 3.100 3.021 2.822 3.266 0.166 9 0 "[ . 1 . ]" 1
21 1 12 TRP HA 1 15 ALA H . . 4.700 3.245 2.925 3.449 . 0 0 "[ . 1 . ]" 1
22 1 12 TRP QB 1 13 GLU H . . 3.790 2.679 2.485 3.027 . 0 0 "[ . 1 . ]" 1
23 1 13 GLU H 1 14 GLN H . . 2.850 2.886 2.728 3.033 0.183 5 0 "[ . 1 . ]" 1
24 1 13 GLU H 1 14 GLN HA . . 5.440 5.405 5.280 5.507 0.067 5 0 "[ . 1 . ]" 1
25 1 13 GLU H 1 15 ALA H . . 4.440 4.399 4.031 4.647 0.207 12 0 "[ . 1 . ]" 1
26 1 14 GLN H 1 14 GLN QB . . 3.490 2.561 2.251 2.827 . 0 0 "[ . 1 . ]" 1
27 1 14 GLN H 1 14 GLN QG . . 4.400 2.730 2.268 4.113 . 0 0 "[ . 1 . ]" 1
28 1 14 GLN H 1 15 ALA H . . 3.060 2.932 2.768 3.087 0.027 12 0 "[ . 1 . ]" 1
29 1 14 GLN H 1 15 ALA MB . . 4.920 4.672 4.519 4.848 . 0 0 "[ . 1 . ]" 1
30 1 14 GLN H 1 16 GLN H . . 4.450 4.652 4.345 5.016 0.566 14 1 "[ . 1 +. ]" 1
31 1 14 GLN HA 1 14 GLN QG . . 3.740 2.474 2.297 3.250 . 0 0 "[ . 1 . ]" 1
32 1 14 GLN QB 1 15 ALA H . . 4.000 2.709 2.511 2.857 . 0 0 "[ . 1 . ]" 1
33 1 14 GLN HB2 1 15 ALA H . . 4.790 2.850 2.560 3.723 . 0 0 "[ . 1 . ]" 1
34 1 14 GLN HB3 1 15 ALA H . . 4.790 3.597 2.968 3.985 . 0 0 "[ . 1 . ]" 1
35 1 15 ALA H 1 16 GLN H . . 3.090 2.998 2.798 3.232 0.142 14 0 "[ . 1 . ]" 1
36 1 15 ALA H 1 17 ASP H . . 4.340 4.353 4.012 4.680 0.340 8 0 "[ . 1 . ]" 1
37 1 15 ALA H 1 59 ILE MD . . 4.610 4.623 4.168 4.834 0.224 14 0 "[ . 1 . ]" 1
38 1 15 ALA HA 1 18 TYR QB . . 4.360 2.874 2.448 3.329 . 0 0 "[ . 1 . ]" 1
39 1 15 ALA HA 1 19 LEU H . . 4.750 4.556 3.970 4.962 0.212 14 0 "[ . 1 . ]" 1
40 1 15 ALA HA 1 62 MET ME . . 4.160 3.367 2.195 4.775 0.615 16 1 "[ . 1 .+]" 1
41 1 15 ALA MB 1 16 GLN H . . 4.210 2.417 2.293 2.603 . 0 0 "[ . 1 . ]" 1
42 1 15 ALA MB 1 18 TYR H . . 4.880 4.616 4.304 5.008 0.128 13 0 "[ . 1 . ]" 1
43 1 15 ALA MB 1 59 ILE MD . . 4.860 2.122 1.977 2.423 . 0 0 "[ . 1 . ]" 1
44 1 15 ALA MB 1 62 MET ME . . 4.270 2.943 2.175 3.734 . 0 0 "[ . 1 . ]" 1
45 1 16 GLN H 1 16 GLN QB . . 3.440 2.338 2.224 2.716 . 0 0 "[ . 1 . ]" 1
46 1 16 GLN H 1 16 GLN HB2 . . 4.160 2.721 2.448 3.719 . 0 0 "[ . 1 . ]" 1
47 1 16 GLN H 1 16 GLN HB3 . . 4.160 2.649 2.374 3.678 . 0 0 "[ . 1 . ]" 1
48 1 16 GLN H 1 16 GLN QE . . 4.410 4.541 4.157 5.247 0.837 8 2 "[ . + 1 - ]" 1
49 1 16 GLN H 1 17 ASP H . . 3.080 2.865 2.668 3.070 . 0 0 "[ . 1 . ]" 1
50 1 16 GLN H 1 18 TYR H . . 3.870 4.272 4.011 4.514 0.644 14 5 "[ - .* *1 *+. ]" 1
51 1 16 GLN HA 1 19 LEU H . . 4.080 3.726 3.446 3.924 . 0 0 "[ . 1 . ]" 1
52 1 16 GLN QE 1 35 LEU H . . 4.390 4.615 4.185 5.281 0.891 14 4 "[ * . - +.*]" 1
53 1 16 GLN QG 1 17 ASP H . . 3.840 3.321 2.346 4.095 0.255 15 0 "[ . 1 . ]" 1
54 1 17 ASP H 1 17 ASP QB . . 3.550 2.514 2.259 2.647 . 0 0 "[ . 1 . ]" 1
55 1 17 ASP H 1 18 TYR H . . 2.960 2.858 2.635 3.214 0.254 8 0 "[ . 1 . ]" 1
56 1 17 ASP HA 1 20 LYS H . . 4.280 3.307 2.940 3.549 . 0 0 "[ . 1 . ]" 1
57 1 18 TYR H 1 18 TYR QB . . 3.520 2.406 2.242 2.567 . 0 0 "[ . 1 . ]" 1
58 1 18 TYR H 1 18 TYR HB2 . . 4.040 2.458 2.306 2.616 . 0 0 "[ . 1 . ]" 1
59 1 18 TYR H 1 18 TYR HB3 . . 4.040 3.532 2.729 3.719 . 0 0 "[ . 1 . ]" 1
60 1 18 TYR H 1 19 LEU H . . 3.100 2.836 2.416 2.979 . 0 0 "[ . 1 . ]" 1
61 1 18 TYR H 1 21 ARG QG . . 4.730 4.835 4.501 5.061 0.331 1 0 "[ . 1 . ]" 1
62 1 18 TYR HA 1 21 ARG QG . . 4.350 2.370 2.252 2.573 . 0 0 "[ . 1 . ]" 1
63 1 18 TYR QB 1 19 LEU H . . 3.950 2.764 2.499 2.972 . 0 0 "[ . 1 . ]" 1
64 1 18 TYR QB 1 20 LYS H . . 4.560 4.821 4.604 5.174 0.614 12 1 "[ . 1 + . ]" 1
65 1 18 TYR HB2 1 19 LEU H . . 4.610 3.043 2.584 3.988 . 0 0 "[ . 1 . ]" 1
66 1 18 TYR HB2 1 20 LYS H . . 5.330 5.386 4.990 6.007 0.677 10 2 "[ - . + . ]" 1
67 1 18 TYR HB2 1 62 MET ME . . 4.250 3.348 2.257 4.206 . 0 0 "[ . 1 . ]" 1
68 1 18 TYR HB3 1 19 LEU H . . 4.610 3.419 2.755 3.742 . 0 0 "[ . 1 . ]" 1
69 1 18 TYR HB3 1 20 LYS H . . 5.330 5.480 5.244 5.918 0.588 12 1 "[ . 1 + . ]" 1
70 1 18 TYR HB3 1 62 MET ME . . 4.250 3.739 2.336 5.026 0.776 16 2 "[ . - 1 .+]" 1
71 1 19 LEU H 1 19 LEU QB . . 3.570 2.271 2.231 2.317 . 0 0 "[ . 1 . ]" 1
72 1 19 LEU H 1 20 LYS H . . 3.840 2.768 2.513 2.911 . 0 0 "[ . 1 . ]" 1
73 1 19 LEU H 1 62 MET ME . . 4.820 2.964 2.422 3.607 . 0 0 "[ . 1 . ]" 1
74 1 19 LEU HA 1 21 ARG QG . . 4.250 4.457 3.891 4.758 0.508 2 1 "[ + . 1 . ]" 1
75 1 19 LEU QB 1 20 LYS H . . 4.240 2.632 2.489 2.995 . 0 0 "[ . 1 . ]" 1
76 1 19 LEU HB2 1 20 LYS H . . 4.290 3.815 3.189 3.972 . 0 0 "[ . 1 . ]" 1
77 1 19 LEU HB2 1 62 MET ME . . 4.820 2.536 2.157 3.457 . 0 0 "[ . 1 . ]" 1
78 1 19 LEU HB3 1 20 LYS H . . 4.290 2.717 2.524 3.633 . 0 0 "[ . 1 . ]" 1
79 1 19 LEU HB3 1 62 MET ME . . 4.820 3.735 2.853 4.893 0.073 13 0 "[ . 1 . ]" 1
80 1 19 LEU HG 1 62 MET ME . . 4.570 3.665 2.333 4.686 0.116 15 0 "[ . 1 . ]" 1
81 1 20 LYS H 1 20 LYS QB . . 3.150 2.276 2.163 2.431 . 0 0 "[ . 1 . ]" 1
82 1 20 LYS H 1 20 LYS HB2 . . 3.820 3.031 2.291 3.673 . 0 0 "[ . 1 . ]" 1
83 1 20 LYS H 1 20 LYS HB3 . . 3.820 2.552 2.278 3.072 . 0 0 "[ . 1 . ]" 1
84 1 20 LYS H 1 20 LYS QD . . 3.990 3.886 3.607 4.332 0.342 15 0 "[ . 1 . ]" 1
85 1 20 LYS H 1 20 LYS HD2 . . 4.770 4.236 3.706 5.084 0.314 2 0 "[ . 1 . ]" 1
86 1 20 LYS H 1 20 LYS HD3 . . 4.770 4.771 4.167 5.241 0.471 7 0 "[ . 1 . ]" 1
87 1 20 LYS H 1 21 ARG H . . 3.220 3.034 2.836 3.208 . 0 0 "[ . 1 . ]" 1
88 1 20 LYS H 1 22 PHE H . . 4.290 4.370 4.072 4.607 0.317 12 0 "[ . 1 . ]" 1
89 1 20 LYS HA 1 20 LYS QE . . 4.210 4.315 3.914 4.705 0.495 10 0 "[ . 1 . ]" 1
90 1 20 LYS HA 1 20 LYS HE2 . . 4.900 5.146 4.441 5.813 0.913 10 3 "[ * . + - . ]" 1
91 1 20 LYS HA 1 20 LYS HE3 . . 4.900 4.665 4.105 5.152 0.252 13 0 "[ . 1 . ]" 1
92 1 20 LYS HA 1 20 LYS QG . . 3.640 2.987 2.381 3.394 . 0 0 "[ . 1 . ]" 1
93 1 20 LYS QB 1 21 ARG H . . 3.920 3.200 2.398 3.754 . 0 0 "[ . 1 . ]" 1
94 1 20 LYS QG 1 21 ARG H . . 3.850 3.173 2.251 4.180 0.330 4 0 "[ . 1 . ]" 1
95 1 20 LYS QG 1 21 ARG HA . . 4.300 3.591 3.034 4.335 0.035 13 0 "[ . 1 . ]" 1
96 1 20 LYS QG 1 26 ASP H . . 4.200 3.528 2.742 4.418 0.218 3 0 "[ . 1 . ]" 1
97 1 20 LYS HG2 1 21 ARG H . . 4.510 3.494 2.284 4.930 0.420 4 0 "[ . 1 . ]" 1
98 1 20 LYS HG3 1 21 ARG H . . 4.510 3.962 2.714 5.004 0.494 13 0 "[ . 1 . ]" 1
99 1 21 ARG H 1 21 ARG QB . . 3.430 2.684 2.390 2.832 . 0 0 "[ . 1 . ]" 1
100 1 21 ARG H 1 21 ARG QD . . 4.160 4.323 4.072 4.533 0.373 16 0 "[ . 1 . ]" 1
101 1 21 ARG H 1 21 ARG HD2 . . 4.850 4.856 4.601 5.099 0.249 12 0 "[ . 1 . ]" 1
102 1 21 ARG H 1 21 ARG HD3 . . 4.850 4.863 4.535 5.152 0.302 16 0 "[ . 1 . ]" 1
103 1 21 ARG H 1 21 ARG QG . . 4.150 2.416 2.240 2.635 . 0 0 "[ . 1 . ]" 1
104 1 21 ARG H 1 22 PHE H . . 3.370 2.720 2.513 3.033 . 0 0 "[ . 1 . ]" 1
105 1 21 ARG H 1 22 PHE QB . . 4.700 4.822 4.493 5.202 0.502 8 1 "[ . + 1 . ]" 1
106 1 21 ARG H 1 23 TYR H . . 4.380 4.088 3.833 4.486 0.106 16 0 "[ . 1 . ]" 1
107 1 21 ARG HA 1 21 ARG QG . . 3.690 3.408 3.329 3.467 . 0 0 "[ . 1 . ]" 1
108 1 21 ARG QD 1 155 THR MG . . 4.110 4.032 3.485 4.588 0.478 7 0 "[ . 1 . ]" 1
109 1 21 ARG HD2 1 155 THR MG . . 4.770 4.618 4.089 5.436 0.666 16 1 "[ . 1 .+]" 1
110 1 21 ARG HD3 1 155 THR MG . . 4.770 4.507 3.777 5.286 0.516 8 1 "[ . + 1 . ]" 1
111 1 19 LEU MD2 1 22 PHE H . . 4.230 4.081 3.747 4.412 0.182 2 0 "[ . 1 . ]" 1
112 1 22 PHE H 1 22 PHE QB . . 3.500 2.437 2.279 2.542 . 0 0 "[ . 1 . ]" 1
113 1 22 PHE H 1 23 TYR H . . 3.280 2.717 2.486 2.905 . 0 0 "[ . 1 . ]" 1
114 1 22 PHE H 1 24 LEU H . . 4.970 5.330 4.609 5.839 0.869 6 4 "[ * *-+ 1 . ]" 1
115 1 23 TYR H 1 23 TYR QB . . 3.680 2.534 2.401 2.762 . 0 0 "[ . 1 . ]" 1
116 1 23 TYR H 1 24 LEU H . . 2.980 3.029 2.433 3.339 0.359 12 0 "[ . 1 . ]" 1
117 1 23 TYR QB 1 24 LEU H . . 3.850 2.541 2.141 4.023 0.173 12 0 "[ . 1 . ]" 1
118 1 23 TYR QB 1 24 LEU HG . . 3.920 3.748 2.690 4.091 0.171 10 0 "[ . 1 . ]" 1
119 1 23 TYR QB 1 72 VAL H . . 4.550 5.002 2.997 5.794 1.244 13 10 "[* - *****1 +** ]" 1
120 1 24 LEU H 1 24 LEU QB . . 3.690 2.866 2.683 3.548 . 0 0 "[ . 1 . ]" 1
121 1 24 LEU H 1 24 LEU HG . . 4.000 3.696 2.551 4.142 0.142 10 0 "[ . 1 . ]" 1
122 1 24 LEU H 1 70 PRO QB . . 4.390 4.579 2.681 4.987 0.597 2 6 "[*+**. - 1 *. ]" 1
123 1 24 LEU HA 1 70 PRO QB . . 4.140 3.671 3.192 4.302 0.162 16 0 "[ . 1 . ]" 1
124 1 25 TYR H 1 25 TYR QB . . 3.640 2.441 2.228 3.106 . 0 0 "[ . 1 . ]" 1
125 1 25 TYR H 1 25 TYR HB2 . . 3.460 2.749 2.400 3.613 0.153 15 0 "[ . 1 . ]" 1
126 1 25 TYR H 1 25 TYR HB3 . . 3.470 2.769 2.465 3.386 . 0 0 "[ . 1 . ]" 1
127 1 25 TYR H 1 25 TYR QD . . 4.240 4.335 4.243 4.494 0.254 5 0 "[ . 1 . ]" 1
128 1 25 TYR H 1 26 ASP H . . 4.020 3.728 2.773 4.257 0.237 2 0 "[ . 1 . ]" 1
129 1 25 TYR HA 1 25 TYR QE . . 4.420 4.470 4.373 4.579 0.159 11 0 "[ . 1 . ]" 1
130 1 25 TYR HB3 1 26 ASP HA . . 4.760 4.915 4.794 5.013 0.253 12 0 "[ . 1 . ]" 1
131 1 25 TYR QD 1 26 ASP H . . 4.110 3.611 2.931 4.086 . 0 0 "[ . 1 . ]" 1
132 1 25 TYR QD 1 26 ASP HA . . 4.380 4.259 3.916 4.565 0.185 13 0 "[ . 1 . ]" 1
133 1 25 TYR QD 1 27 SER QB . . 5.340 3.887 2.752 4.937 . 0 0 "[ . 1 . ]" 1
134 1 25 TYR QE 1 27 SER QB . . 4.690 3.591 2.712 5.010 0.320 14 0 "[ . 1 . ]" 1
135 1 26 ASP H 1 26 ASP QB . . 3.640 2.461 2.219 2.587 . 0 0 "[ . 1 . ]" 1
136 1 28 GLU H 1 28 GLU QB . . 3.440 2.417 2.230 2.657 . 0 0 "[ . 1 . ]" 1
137 1 28 GLU H 1 29 THR H . . 3.540 2.905 2.737 3.167 . 0 0 "[ . 1 . ]" 1
138 1 28 GLU HA 1 28 GLU QG . . 3.680 2.500 2.273 3.388 . 0 0 "[ . 1 . ]" 1
139 1 28 GLU QB 1 29 THR H . . 4.190 2.829 2.464 3.748 . 0 0 "[ . 1 . ]" 1
140 1 29 THR H 1 29 THR HB . . 3.970 2.759 2.417 3.686 . 0 0 "[ . 1 . ]" 1
141 1 29 THR H 1 29 THR MG . . 4.580 3.682 2.429 3.905 . 0 0 "[ . 1 . ]" 1
142 1 29 THR H 1 30 LYS H . . 4.590 3.027 2.619 3.508 . 0 0 "[ . 1 . ]" 1
143 1 29 THR MG 1 34 SER QB . . 4.170 2.536 2.076 4.460 0.290 12 0 "[ . 1 . ]" 1
144 1 29 THR MG 1 38 LYS H . . 4.460 4.195 3.133 4.685 0.225 2 0 "[ . 1 . ]" 1
145 1 31 ASN QB 1 32 ALA H . . 3.670 2.932 2.498 3.632 . 0 0 "[ . 1 . ]" 1
146 1 33 ASN H 1 34 SER H . . 4.240 2.749 2.486 3.113 . 0 0 "[ . 1 . ]" 1
147 1 33 ASN HB2 1 34 SER H . . 5.500 3.157 2.383 4.071 . 0 0 "[ . 1 . ]" 1
148 1 33 ASN HB3 1 34 SER H . . 5.500 3.244 2.488 4.240 . 0 0 "[ . 1 . ]" 1
149 1 34 SER H 1 34 SER QB . . 3.700 2.518 2.326 2.655 . 0 0 "[ . 1 . ]" 1
150 1 34 SER H 1 34 SER HB2 . . 4.070 2.920 2.482 3.670 . 0 0 "[ . 1 . ]" 1
151 1 34 SER H 1 34 SER HB3 . . 4.070 3.252 2.536 3.704 . 0 0 "[ . 1 . ]" 1
152 1 34 SER H 1 35 LEU H . . 4.650 2.731 2.469 3.028 . 0 0 "[ . 1 . ]" 1
153 1 34 SER HA 1 36 GLU H . . 4.680 4.323 3.896 4.938 0.258 6 0 "[ . 1 . ]" 1
154 1 34 SER HA 1 37 ALA MB . . 4.300 3.166 2.896 3.610 . 0 0 "[ . 1 . ]" 1
155 1 34 SER HA 1 38 LYS H . . 5.040 4.238 3.959 4.761 . 0 0 "[ . 1 . ]" 1
156 1 34 SER QB 1 35 LEU H . . 3.630 2.910 2.467 3.623 . 0 0 "[ . 1 . ]" 1
157 1 34 SER QB 1 37 ALA MB . . 4.390 3.929 3.497 4.641 0.251 12 0 "[ . 1 . ]" 1
158 1 34 SER HB2 1 35 LEU H . . 4.160 3.131 2.510 4.001 . 0 0 "[ . 1 . ]" 1
159 1 34 SER HB3 1 35 LEU H . . 4.160 3.807 2.670 4.141 . 0 0 "[ . 1 . ]" 1
160 1 35 LEU H 1 35 LEU QB . . 3.640 2.256 2.212 2.363 . 0 0 "[ . 1 . ]" 1
161 1 35 LEU H 1 36 GLU H . . 3.240 3.146 2.853 3.426 0.186 9 0 "[ . 1 . ]" 1
162 1 35 LEU QB 1 36 GLU H . . 4.090 2.562 2.345 3.037 . 0 0 "[ . 1 . ]" 1
163 1 36 GLU H 1 37 ALA H . . 3.010 2.969 2.784 3.241 0.231 16 0 "[ . 1 . ]" 1
164 1 36 GLU HA 1 36 GLU QG . . 3.650 2.776 2.407 3.579 . 0 0 "[ . 1 . ]" 1
165 1 36 GLU HA 1 39 LEU QB . . 5.040 2.906 2.379 3.455 . 0 0 "[ . 1 . ]" 1
166 1 36 GLU QB 1 37 ALA H . . 3.080 2.937 2.468 3.695 0.615 16 4 "[ .- 1* * .+]" 1
167 1 36 GLU HB2 1 37 ALA H . . 3.590 3.165 2.537 4.066 0.476 16 0 "[ . 1 . ]" 1
168 1 36 GLU QG 1 37 ALA H . . 3.350 3.568 2.267 4.181 0.831 1 10 "[+**** *- * ** ]" 1
169 1 37 ALA H 1 37 ALA MB . . 3.020 2.305 2.287 2.332 . 0 0 "[ . 1 . ]" 1
170 1 37 ALA H 1 38 LYS H . . 2.780 2.742 2.591 2.982 0.202 15 0 "[ . 1 . ]" 1
171 1 37 ALA H 1 39 LEU H . . 4.340 4.295 3.935 4.540 0.200 14 0 "[ . 1 . ]" 1
172 1 37 ALA HA 1 40 LYS H . . 4.120 3.468 3.184 3.661 . 0 0 "[ . 1 . ]" 1
173 1 37 ALA HA 1 40 LYS QB . . 3.770 3.144 2.726 3.776 0.006 14 0 "[ . 1 . ]" 1
174 1 37 ALA MB 1 38 LYS H . . 3.350 2.528 2.359 2.681 . 0 0 "[ . 1 . ]" 1
175 1 37 ALA MB 1 40 LYS QB . . 4.490 4.075 3.770 4.300 . 0 0 "[ . 1 . ]" 1
176 1 38 LYS H 1 38 LYS QB . . 3.590 2.292 2.179 2.606 . 0 0 "[ . 1 . ]" 1
177 1 38 LYS H 1 38 LYS HB2 . . 4.110 2.591 2.212 3.722 . 0 0 "[ . 1 . ]" 1
178 1 38 LYS H 1 38 LYS HB3 . . 4.110 2.825 2.353 3.732 . 0 0 "[ . 1 . ]" 1
179 1 38 LYS H 1 39 LEU H . . 2.930 2.826 2.629 3.006 0.076 1 0 "[ . 1 . ]" 1
180 1 38 LYS HA 1 40 LYS H . . 4.240 4.241 3.869 4.681 0.441 11 0 "[ . 1 . ]" 1
181 1 38 LYS HA 1 40 LYS QB . . 5.120 4.748 4.438 5.397 0.277 4 0 "[ . 1 . ]" 1
182 1 38 LYS HA 1 41 GLU H . . 3.800 3.379 2.970 4.017 0.217 4 0 "[ . 1 . ]" 1
183 1 38 LYS HA 1 41 GLU QB . . 4.560 3.760 3.213 4.397 . 0 0 "[ . 1 . ]" 1
184 1 38 LYS HA 1 41 GLU QG . . 4.920 3.195 2.697 3.647 . 0 0 "[ . 1 . ]" 1
185 1 38 LYS QB 1 39 LEU H . . 3.390 2.833 2.430 3.652 0.262 10 0 "[ . 1 . ]" 1
186 1 38 LYS HB2 1 39 LEU H . . 3.980 3.794 2.533 4.458 0.478 13 0 "[ . 1 . ]" 1
187 1 38 LYS HB3 1 39 LEU H . . 3.980 3.001 2.467 4.235 0.255 1 0 "[ . 1 . ]" 1
188 1 39 LEU H 1 39 LEU HB2 . . 3.940 2.472 2.266 2.805 . 0 0 "[ . 1 . ]" 1
189 1 39 LEU H 1 39 LEU HB3 . . 3.940 3.642 3.537 3.737 . 0 0 "[ . 1 . ]" 1
190 1 39 LEU H 1 40 LYS H . . 3.050 2.903 2.542 3.253 0.203 15 0 "[ . 1 . ]" 1
191 1 39 LEU H 1 40 LYS QB . . 4.960 4.817 4.406 5.258 0.298 7 0 "[ . 1 . ]" 1
192 1 39 LEU H 1 41 GLU H . . 4.560 4.560 4.321 4.809 0.249 5 0 "[ . 1 . ]" 1
193 1 39 LEU H 1 42 MET H . . 5.020 4.814 4.632 4.942 . 0 0 "[ . 1 . ]" 1
194 1 39 LEU QB 1 40 LYS H . . 3.610 2.671 2.527 2.861 . 0 0 "[ . 1 . ]" 1
195 1 40 LYS H 1 40 LYS HB2 . . 3.680 2.478 2.283 2.757 . 0 0 "[ . 1 . ]" 1
196 1 40 LYS H 1 40 LYS HB3 . . 3.680 3.062 2.545 3.754 0.074 4 0 "[ . 1 . ]" 1
197 1 40 LYS H 1 41 GLU H . . 2.980 2.995 2.807 3.122 0.142 11 0 "[ . 1 . ]" 1
198 1 40 LYS H 1 41 GLU QG . . 5.100 5.089 4.774 5.403 0.303 11 0 "[ . 1 . ]" 1
199 1 40 LYS H 1 42 MET H . . 4.150 4.273 4.114 4.512 0.362 11 0 "[ . 1 . ]" 1
200 1 40 LYS H 1 52 GLY H . . 4.490 4.738 4.505 4.913 0.423 6 0 "[ . 1 . ]" 1
201 1 40 LYS H 1 52 GLY HA2 . . 4.540 4.794 4.020 5.084 0.544 5 2 "[ -+ 1 . ]" 1
202 1 40 LYS QB 1 41 GLU HA . . 4.040 4.047 3.710 4.310 0.270 2 0 "[ . 1 . ]" 1
203 1 40 LYS QB 1 52 GLY H . . 4.560 4.511 4.069 5.184 0.624 11 1 "[ . 1+ . ]" 1
204 1 40 LYS HB2 1 41 GLU H . . 3.820 3.643 2.605 4.122 0.302 13 0 "[ . 1 . ]" 1
205 1 40 LYS HB3 1 41 GLU H . . 3.820 2.979 2.492 3.902 0.082 7 0 "[ . 1 . ]" 1
206 1 41 GLU H 1 41 GLU QB . . 3.020 2.419 2.344 2.542 . 0 0 "[ . 1 . ]" 1
207 1 41 GLU H 1 41 GLU HB2 . . 3.530 3.679 3.631 3.722 0.192 3 0 "[ . 1 . ]" 1
208 1 41 GLU H 1 41 GLU HB3 . . 3.530 2.453 2.373 2.588 . 0 0 "[ . 1 . ]" 1
209 1 41 GLU H 1 41 GLU QG . . 3.810 2.857 2.526 3.154 . 0 0 "[ . 1 . ]" 1
210 1 41 GLU H 1 42 MET H . . 3.710 2.697 2.611 2.778 . 0 0 "[ . 1 . ]" 1
211 1 41 GLU HA 1 43 GLN H . . 4.860 4.385 3.954 4.999 0.139 15 0 "[ . 1 . ]" 1
212 1 41 GLU HA 1 44 LYS H . . 3.960 3.497 3.231 3.897 . 0 0 "[ . 1 . ]" 1
213 1 41 GLU QG 1 42 MET H . . 3.800 2.365 2.308 2.447 . 0 0 "[ . 1 . ]" 1
214 1 41 GLU QG 1 42 MET HA . . 3.560 3.076 2.853 3.869 0.309 13 0 "[ . 1 . ]" 1
215 1 42 MET H 1 42 MET QB . . 3.220 2.285 2.229 2.354 . 0 0 "[ . 1 . ]" 1
216 1 42 MET H 1 42 MET HB2 . . 3.700 2.596 2.484 2.892 . 0 0 "[ . 1 . ]" 1
217 1 42 MET H 1 42 MET HB3 . . 3.700 2.553 2.337 2.725 . 0 0 "[ . 1 . ]" 1
218 1 42 MET H 1 43 GLN H . . 3.120 2.858 2.708 2.956 . 0 0 "[ . 1 . ]" 1
219 1 42 MET H 1 44 LYS H . . 4.130 4.452 4.216 4.764 0.634 11 3 "[ .- *+ . ]" 1
220 1 42 MET HA 1 42 MET QG . . 3.670 2.563 2.465 2.640 . 0 0 "[ . 1 . ]" 1
221 1 42 MET HA 1 44 LYS H . . 4.730 4.523 4.258 4.819 0.089 11 0 "[ . 1 . ]" 1
222 1 42 MET HA 1 45 PHE QB . . 4.330 2.523 2.206 2.891 . 0 0 "[ . 1 . ]" 1
223 1 42 MET QB 1 43 GLN H . . 3.470 2.625 2.310 2.924 . 0 0 "[ . 1 . ]" 1
224 1 42 MET HB2 1 43 GLN H . . 4.010 3.990 3.768 4.209 0.199 15 0 "[ . 1 . ]" 1
225 1 42 MET HB3 1 43 GLN H . . 4.010 2.663 2.331 2.988 . 0 0 "[ . 1 . ]" 1
226 1 42 MET ME 1 43 GLN QG . . 5.230 4.852 3.205 6.086 0.856 10 3 "[- . * + . ]" 1
227 1 42 MET ME 1 46 PHE QD . . 3.920 3.265 2.249 3.913 . 0 0 "[ . 1 . ]" 1
228 1 42 MET ME 1 46 PHE QE . . 3.960 2.894 2.412 3.886 . 0 0 "[ . 1 . ]" 1
229 1 42 MET ME 1 58 VAL HA . . 4.020 3.517 2.653 3.932 . 0 0 "[ . 1 . ]" 1
230 1 42 MET ME 1 61 ILE HB . . 4.790 4.402 3.335 5.436 0.646 6 1 "[ .+ 1 . ]" 1
231 1 42 MET ME 1 61 ILE MD . . 3.680 2.533 1.979 3.730 0.050 16 0 "[ . 1 . ]" 1
232 1 42 MET ME 1 61 ILE QG . . 4.540 3.591 2.147 5.186 0.646 16 1 "[ . 1 .+]" 1
233 1 42 MET ME 1 61 ILE MG . . 4.070 4.131 3.345 4.564 0.494 14 0 "[ . 1 . ]" 1
234 1 42 MET ME 1 62 MET QB . . 4.880 4.576 3.941 5.572 0.692 6 2 "[ .+ 1 - . ]" 1
235 1 42 MET ME 1 62 MET QG . . 3.800 2.739 2.093 3.708 . 0 0 "[ . 1 . ]" 1
236 1 42 MET ME 1 62 MET HG2 . . 4.530 3.061 2.184 4.264 . 0 0 "[ . 1 . ]" 1
237 1 42 MET ME 1 62 MET HG3 . . 4.530 3.228 2.310 4.552 0.022 4 0 "[ . 1 . ]" 1
238 1 42 MET ME 1 42 MET QG . . 3.460 2.212 2.145 2.295 . 0 0 "[ . 1 . ]" 1
239 1 42 MET QG 1 46 PHE QD . . 3.520 2.615 2.257 3.081 . 0 0 "[ . 1 . ]" 1
240 1 42 MET QG 1 61 ILE MD . . 4.880 4.117 3.084 5.233 0.353 16 0 "[ . 1 . ]" 1
241 1 42 MET HG2 1 46 PHE QD . . 4.210 2.802 2.391 3.525 . 0 0 "[ . 1 . ]" 1
242 1 42 MET HG2 1 46 PHE QE . . 4.440 3.416 2.542 4.493 0.053 1 0 "[ . 1 . ]" 1
243 1 42 MET HG3 1 46 PHE QD . . 4.210 3.454 2.675 4.471 0.261 12 0 "[ . 1 . ]" 1
244 1 42 MET HG3 1 46 PHE QE . . 4.440 3.171 2.349 4.466 0.026 12 0 "[ . 1 . ]" 1
245 1 43 GLN H 1 43 GLN HB3 . . 4.000 3.669 3.602 3.713 . 0 0 "[ . 1 . ]" 1
246 1 43 GLN H 1 43 GLN QE . . 4.470 3.985 3.062 4.294 . 0 0 "[ . 1 . ]" 1
247 1 43 GLN H 1 43 GLN QG . . 3.440 2.566 2.192 3.340 . 0 0 "[ . 1 . ]" 1
248 1 43 GLN H 1 44 LYS H . . 3.160 2.834 2.606 3.003 . 0 0 "[ . 1 . ]" 1
249 1 43 GLN H 1 44 LYS QG . . 4.910 4.613 4.360 4.954 0.044 15 0 "[ . 1 . ]" 1
250 1 43 GLN H 1 45 PHE H . . 3.950 4.299 3.999 4.504 0.554 16 2 "[ - . 1 .+]" 1
251 1 43 GLN HA 1 48 LEU H . . 4.470 4.786 4.347 5.259 0.789 9 6 "[ -* *+1 **]" 1
252 1 43 GLN HA 1 48 LEU HG . . 4.390 2.871 2.506 3.198 . 0 0 "[ . 1 . ]" 1
253 1 43 GLN HE21 1 52 GLY H . . 3.890 2.968 2.291 3.972 0.082 16 0 "[ . 1 . ]" 1
254 1 43 GLN HE21 1 53 MET H . . 3.330 2.712 2.306 2.998 . 0 0 "[ . 1 . ]" 1
255 1 43 GLN HE22 1 52 GLY H . . 3.890 3.659 2.474 4.860 0.970 8 2 "[ . -+ 1 . ]" 1
256 1 43 GLN HE22 1 53 MET H . . 3.330 3.089 2.387 4.074 0.744 8 3 "[* . -+ 1 . ]" 1
257 1 44 LYS H 1 44 LYS QB . . 3.480 2.526 2.435 2.712 . 0 0 "[ . 1 . ]" 1
258 1 44 LYS H 1 44 LYS HB2 . . 3.560 2.574 2.472 2.788 . 0 0 "[ . 1 . ]" 1
259 1 44 LYS H 1 44 LYS HB3 . . 3.560 3.685 3.668 3.710 0.150 13 0 "[ . 1 . ]" 1
260 1 44 LYS H 1 44 LYS QD . . 4.410 3.944 2.683 4.416 0.006 4 0 "[ . 1 . ]" 1
261 1 44 LYS H 1 44 LYS HD2 . . 5.160 4.689 2.948 5.059 . 0 0 "[ . 1 . ]" 1
262 1 44 LYS H 1 44 LYS HD3 . . 5.160 4.350 2.724 5.021 . 0 0 "[ . 1 . ]" 1
263 1 44 LYS H 1 44 LYS QE . . 3.890 3.704 3.375 4.316 0.426 13 0 "[ . 1 . ]" 1
264 1 44 LYS H 1 44 LYS HE2 . . 4.550 4.248 3.577 5.243 0.693 13 1 "[ . 1 + . ]" 1
265 1 44 LYS H 1 44 LYS HE3 . . 4.550 4.172 3.926 4.593 0.043 13 0 "[ . 1 . ]" 1
266 1 44 LYS H 1 44 LYS QG . . 3.360 2.398 2.277 2.494 . 0 0 "[ . 1 . ]" 1
267 1 44 LYS H 1 44 LYS HG2 . . 3.860 2.429 2.295 2.532 . 0 0 "[ . 1 . ]" 1
268 1 44 LYS H 1 44 LYS HG3 . . 3.860 3.728 3.598 3.827 . 0 0 "[ . 1 . ]" 1
269 1 44 LYS H 1 45 PHE H . . 2.950 2.652 2.506 2.731 . 0 0 "[ . 1 . ]" 1
270 1 44 LYS HA 1 44 LYS QD . . 3.520 2.788 2.246 3.408 . 0 0 "[ . 1 . ]" 1
271 1 44 LYS HA 1 44 LYS HD2 . . 4.140 3.754 2.500 4.254 0.114 6 0 "[ . 1 . ]" 1
272 1 44 LYS HA 1 44 LYS HD3 . . 4.140 2.975 2.377 4.002 . 0 0 "[ . 1 . ]" 1
273 1 44 LYS HA 1 44 LYS QG . . 3.600 3.060 2.910 3.290 . 0 0 "[ . 1 . ]" 1
274 1 44 LYS HA 1 44 LYS HG2 . . 4.220 3.221 3.006 3.562 . 0 0 "[ . 1 . ]" 1
275 1 44 LYS HA 1 44 LYS HG3 . . 4.220 3.856 3.808 3.914 . 0 0 "[ . 1 . ]" 1
276 1 44 LYS HA 1 46 PHE H . . 4.500 4.354 4.069 4.598 0.098 12 0 "[ . 1 . ]" 1
277 1 44 LYS QB 1 45 PHE H . . 4.020 2.528 2.412 2.684 . 0 0 "[ . 1 . ]" 1
278 1 44 LYS QG 1 45 PHE H . . 4.570 4.077 3.809 4.221 . 0 0 "[ . 1 . ]" 1
279 1 44 LYS HG2 1 45 PHE H . . 5.360 4.377 3.982 4.565 . 0 0 "[ . 1 . ]" 1
280 1 44 LYS HG3 1 45 PHE H . . 5.360 4.890 4.762 5.098 . 0 0 "[ . 1 . ]" 1
281 1 45 PHE H 1 45 PHE HB2 . . 3.740 2.526 2.337 2.731 . 0 0 "[ . 1 . ]" 1
282 1 45 PHE H 1 45 PHE HB3 . . 3.740 2.549 2.330 2.747 . 0 0 "[ . 1 . ]" 1
283 1 45 PHE H 1 45 PHE QD . . 4.080 4.201 4.151 4.260 0.180 16 0 "[ . 1 . ]" 1
284 1 45 PHE H 1 46 PHE H . . 3.150 2.944 2.823 3.104 . 0 0 "[ . 1 . ]" 1
285 1 45 PHE H 1 46 PHE QD . . 4.630 4.622 4.187 5.104 0.474 11 0 "[ . 1 . ]" 1
286 1 45 PHE H 1 47 GLY H . . 4.050 4.224 4.132 4.342 0.292 6 0 "[ . 1 . ]" 1
287 1 45 PHE HA 1 45 PHE QE . . 4.970 4.810 4.607 5.003 0.033 4 0 "[ . 1 . ]" 1
288 1 45 PHE QB 1 46 PHE H . . 4.120 2.613 2.470 2.715 . 0 0 "[ . 1 . ]" 1
289 1 45 PHE QB 1 46 PHE QD . . 4.850 2.862 2.352 3.617 . 0 0 "[ . 1 . ]" 1
290 1 45 PHE QD 1 46 PHE H . . 4.270 3.235 2.620 3.762 . 0 0 "[ . 1 . ]" 1
291 1 45 PHE QE 1 204 HIS QB . . 4.300 2.523 2.122 2.801 . 0 0 "[ . 1 . ]" 1
292 1 45 PHE QE 1 214 PRO HD3 . . 4.520 4.407 4.070 4.664 0.144 6 0 "[ . 1 . ]" 1
293 1 45 PHE QE 1 214 PRO HG2 . . 4.320 4.481 3.616 5.144 0.824 13 7 "[** * - * + * ]" 1
294 1 45 PHE QE 1 214 PRO HG3 . . 4.320 3.030 2.520 3.688 . 0 0 "[ . 1 . ]" 1
295 1 46 PHE H 1 46 PHE QB . . 3.620 2.386 2.320 2.425 . 0 0 "[ . 1 . ]" 1
296 1 46 PHE H 1 46 PHE HB2 . . 3.660 2.419 2.350 2.461 . 0 0 "[ . 1 . ]" 1
297 1 46 PHE H 1 46 PHE HB3 . . 3.660 3.640 3.574 3.665 0.005 9 0 "[ . 1 . ]" 1
298 1 46 PHE H 1 46 PHE QD . . 3.650 2.507 2.318 2.798 . 0 0 "[ . 1 . ]" 1
299 1 46 PHE H 1 47 GLY H . . 2.980 2.582 2.457 2.700 . 0 0 "[ . 1 . ]" 1
300 1 46 PHE H 1 48 LEU H . . 4.080 4.693 4.451 5.100 1.020 9 12 "[********+1 -**]" 1
301 1 46 PHE H 1 48 LEU HG . . 4.540 4.388 4.181 4.543 0.003 9 0 "[ . 1 . ]" 1
302 1 46 PHE H 1 214 PRO QG . . 4.450 4.448 4.332 4.608 0.158 15 0 "[ . 1 . ]" 1
303 1 46 PHE HA 1 46 PHE QD . . 4.250 3.025 2.665 3.174 . 0 0 "[ . 1 . ]" 1
304 1 46 PHE HA 1 48 LEU H . . 4.400 4.472 4.287 4.883 0.483 9 0 "[ . 1 . ]" 1
305 1 46 PHE HA 1 214 PRO QB . . 4.410 4.024 3.793 4.307 . 0 0 "[ . 1 . ]" 1
306 1 46 PHE QB 1 47 GLY H . . 4.240 2.887 2.700 3.085 . 0 0 "[ . 1 . ]" 1
307 1 46 PHE QB 1 48 LEU HG . . 4.280 2.594 2.295 2.910 . 0 0 "[ . 1 . ]" 1
308 1 46 PHE QB 1 61 ILE MD . . 4.560 3.128 2.488 5.086 0.526 13 1 "[ . 1 + . ]" 1
309 1 46 PHE QB 1 61 ILE MG . . 4.710 4.109 3.564 4.632 . 0 0 "[ . 1 . ]" 1
310 1 46 PHE QD 1 61 ILE HB . . 4.310 3.647 3.232 3.984 . 0 0 "[ . 1 . ]" 1
311 1 46 PHE QD 1 61 ILE MD . . 4.410 2.493 2.129 3.884 . 0 0 "[ . 1 . ]" 1
312 1 46 PHE QD 1 214 PRO QG . . 4.660 2.584 2.377 3.225 . 0 0 "[ . 1 . ]" 1
313 1 46 PHE QE 1 61 ILE HA . . 4.510 4.818 4.458 5.265 0.755 8 4 "[* . + - * ]" 1
314 1 46 PHE QE 1 61 ILE HB . . 4.120 2.666 2.388 3.124 . 0 0 "[ . 1 . ]" 1
315 1 46 PHE QE 1 61 ILE QG . . 3.760 3.527 2.596 4.521 0.761 8 4 "[* . -+ 1 .*]" 1
316 1 46 PHE QE 1 61 ILE HG12 . . 4.420 4.426 2.674 5.108 0.688 8 2 "[ . -+ 1 . ]" 1
317 1 46 PHE QE 1 61 ILE HG13 . . 4.420 3.925 2.621 5.283 0.863 16 4 "[** . - 1 .+]" 1
318 1 46 PHE QE 1 215 THR MG . . 4.460 4.120 3.145 5.334 0.874 7 3 "[ . +* - . ]" 1
319 1 47 GLY H 1 48 LEU H . . 2.650 2.937 2.838 3.109 0.459 7 0 "[ . 1 . ]" 1
320 1 47 GLY H 1 48 LEU QB . . 5.160 4.917 4.703 5.106 . 0 0 "[ . 1 . ]" 1
321 1 47 GLY H 1 48 LEU HG . . 4.150 3.445 2.972 3.757 . 0 0 "[ . 1 . ]" 1
322 1 47 GLY QA 1 206 SER QB . . 1.800 2.237 2.147 2.385 0.585 16 2 "[ . 1 - .+]" 1
323 1 48 LEU H 1 48 LEU QB . . 3.370 2.458 2.417 2.541 . 0 0 "[ . 1 . ]" 1
324 1 48 LEU H 1 48 LEU HG . . 3.270 2.401 2.350 2.489 . 0 0 "[ . 1 . ]" 1
325 1 48 LEU QB 1 58 VAL HA . . 5.130 4.954 4.630 5.286 0.156 3 0 "[ . 1 . ]" 1
326 1 48 LEU QB 1 215 THR MG . . 5.060 3.700 2.850 4.312 . 0 0 "[ . 1 . ]" 1
327 1 48 LEU HG 1 215 THR MG . . 5.710 5.429 4.372 6.008 0.298 6 0 "[ . 1 . ]" 1
328 1 49 PRO HB2 1 50 ILE MG . . 4.280 4.389 4.111 4.759 0.479 12 0 "[ . 1 . ]" 1
329 1 49 PRO HG2 1 50 ILE H . . 2.830 2.297 2.237 2.562 . 0 0 "[ . 1 . ]" 1
330 1 49 PRO HG2 1 50 ILE HA . . 4.140 4.364 3.970 4.721 0.581 8 2 "[ . + 1 -. ]" 1
331 1 50 ILE H 1 50 ILE HB . . 3.480 3.691 3.660 3.742 0.262 8 0 "[ . 1 . ]" 1
332 1 50 ILE H 1 50 ILE MD . . 3.650 3.592 2.217 4.171 0.521 8 1 "[ . + 1 . ]" 1
333 1 50 ILE H 1 50 ILE QG . . 2.890 2.246 2.159 2.562 . 0 0 "[ . 1 . ]" 1
334 1 50 ILE H 1 50 ILE HG12 . . 3.360 2.498 2.295 3.311 . 0 0 "[ . 1 . ]" 1
335 1 50 ILE H 1 50 ILE HG13 . . 3.360 2.800 2.239 3.779 0.419 4 0 "[ . 1 . ]" 1
336 1 50 ILE H 1 50 ILE MG . . 4.210 2.642 2.363 3.325 . 0 0 "[ . 1 . ]" 1
337 1 50 ILE H 1 51 THR H . . 4.510 4.663 4.287 4.806 0.296 6 0 "[ . 1 . ]" 1
338 1 50 ILE H 1 51 THR MG . . 5.210 4.987 4.073 5.694 0.484 5 0 "[ . 1 . ]" 1
339 1 50 ILE MD 1 57 ARG QB . . 3.650 2.429 2.124 4.408 0.758 15 1 "[ . 1 + ]" 1
340 1 50 ILE MD 1 57 ARG HB2 . . 4.620 3.332 2.477 4.855 0.235 15 0 "[ . 1 . ]" 1
341 1 50 ILE MD 1 57 ARG HB3 . . 4.620 2.553 2.218 5.056 0.436 15 0 "[ . 1 . ]" 1
342 1 50 ILE MG 1 51 THR H . . 4.360 3.781 3.536 4.084 . 0 0 "[ . 1 . ]" 1
343 1 50 ILE MG 1 53 MET QB . . 4.290 4.431 4.114 4.771 0.481 11 0 "[ . 1 . ]" 1
344 1 51 THR H 1 51 THR HB . . 4.100 3.638 3.233 3.928 . 0 0 "[ . 1 . ]" 1
345 1 51 THR H 1 51 THR MG . . 3.580 2.799 2.267 3.421 . 0 0 "[ . 1 . ]" 1
346 1 51 THR HA 1 51 THR MG . . 3.610 2.697 2.298 3.305 . 0 0 "[ . 1 . ]" 1
347 1 51 THR MG 1 52 GLY H . . 4.240 3.631 3.168 3.915 . 0 0 "[ . 1 . ]" 1
348 1 52 GLY H 1 53 MET H . . 2.710 2.909 2.714 3.156 0.446 2 0 "[ . 1 . ]" 1
349 1 52 GLY H 1 53 MET QG . . 4.940 4.658 4.182 5.081 0.141 3 0 "[ . 1 . ]" 1
350 1 53 MET H 1 53 MET QB . . 3.610 2.649 2.346 3.291 . 0 0 "[ . 1 . ]" 1
351 1 53 MET H 1 53 MET HB2 . . 4.140 2.739 2.374 3.974 . 0 0 "[ . 1 . ]" 1
352 1 53 MET H 1 53 MET HB3 . . 4.140 3.774 3.512 3.928 . 0 0 "[ . 1 . ]" 1
353 1 53 MET H 1 53 MET QG . . 3.690 2.959 2.436 3.516 . 0 0 "[ . 1 . ]" 1
354 1 53 MET H 1 53 MET HG2 . . 4.270 3.530 2.509 4.251 . 0 0 "[ . 1 . ]" 1
355 1 53 MET H 1 53 MET HG3 . . 4.270 3.472 2.515 4.589 0.319 4 0 "[ . 1 . ]" 1
356 1 54 LEU H 1 55 ASN H . . 4.120 3.447 2.718 4.415 0.295 12 0 "[ . 1 . ]" 1
357 1 55 ASN H 1 58 VAL H . . 3.510 3.637 3.331 4.067 0.557 9 1 "[ . +1 . ]" 1
358 1 55 ASN H 1 58 VAL HB . . 4.080 2.587 2.371 2.852 . 0 0 "[ . 1 . ]" 1
359 1 55 ASN H 1 59 ILE H . . 3.710 2.590 2.374 2.772 . 0 0 "[ . 1 . ]" 1
360 1 56 SER H 1 58 VAL H . . 4.820 3.764 3.084 4.430 . 0 0 "[ . 1 . ]" 1
361 1 56 SER H 1 58 VAL HB . . 4.290 4.214 3.777 4.506 0.216 5 0 "[ . 1 . ]" 1
362 1 56 SER QB 1 58 VAL H . . 4.510 4.012 3.510 4.759 0.249 2 0 "[ . 1 . ]" 1
363 1 56 SER HB2 1 57 ARG H . . 5.310 2.605 2.260 3.721 . 0 0 "[ . 1 . ]" 1
364 1 56 SER HB2 1 58 VAL H . . 5.230 4.474 3.621 5.813 0.583 9 1 "[ . +1 . ]" 1
365 1 56 SER HB3 1 57 ARG H . . 5.310 2.724 2.312 3.725 . 0 0 "[ . 1 . ]" 1
366 1 56 SER HB3 1 58 VAL H . . 5.230 4.880 3.881 5.584 0.354 2 0 "[ . 1 . ]" 1
367 1 57 ARG H 1 57 ARG QG . . 4.330 4.008 3.146 4.144 . 0 0 "[ . 1 . ]" 1
368 1 57 ARG H 1 57 ARG HG2 . . 5.070 4.507 3.289 4.787 . 0 0 "[ . 1 . ]" 1
369 1 57 ARG H 1 57 ARG HG3 . . 5.070 4.509 4.007 4.604 . 0 0 "[ . 1 . ]" 1
370 1 57 ARG H 1 58 VAL H . . 3.070 2.596 2.397 3.121 0.051 15 0 "[ . 1 . ]" 1
371 1 57 ARG H 1 59 ILE H . . 4.280 4.550 4.266 4.916 0.636 8 4 "[ -.* + 1 * ]" 1
372 1 57 ARG HA 1 57 ARG QD . . 3.860 3.149 2.318 4.046 0.186 10 0 "[ . 1 . ]" 1
373 1 57 ARG HA 1 57 ARG QG . . 3.630 2.738 2.332 3.585 . 0 0 "[ . 1 . ]" 1
374 1 57 ARG QB 1 58 VAL H . . 3.950 2.709 2.465 3.664 . 0 0 "[ . 1 . ]" 1
375 1 57 ARG HB2 1 58 VAL H . . 4.590 3.912 3.649 4.133 . 0 0 "[ . 1 . ]" 1
376 1 57 ARG HB3 1 58 VAL H . . 4.590 2.796 2.506 4.366 . 0 0 "[ . 1 . ]" 1
377 1 57 ARG QD 1 58 VAL H . . 5.050 4.892 4.184 5.188 0.138 1 0 "[ . 1 . ]" 1
378 1 57 ARG QG 1 58 VAL H . . 3.940 3.789 2.530 4.138 0.198 6 0 "[ . 1 . ]" 1
379 1 57 ARG QG 1 215 THR MG . . 4.430 3.609 3.086 4.237 . 0 0 "[ . 1 . ]" 1
380 1 57 ARG HG2 1 58 VAL H . . 4.790 4.309 2.550 5.071 0.281 6 0 "[ . 1 . ]" 1
381 1 57 ARG HG3 1 58 VAL H . . 4.790 4.461 3.784 5.108 0.318 13 0 "[ . 1 . ]" 1
382 1 58 VAL H 1 58 VAL HB . . 3.450 2.601 2.461 2.733 . 0 0 "[ . 1 . ]" 1
383 1 58 VAL H 1 59 ILE H . . 3.000 2.965 2.723 3.175 0.175 8 0 "[ . 1 . ]" 1
384 1 58 VAL H 1 60 GLU H . . 3.910 4.270 3.989 4.411 0.501 3 1 "[ + . 1 . ]" 1
385 1 58 VAL HA 1 61 ILE HB . . 5.500 4.826 3.861 5.669 0.169 3 0 "[ . 1 . ]" 1
386 1 58 VAL HA 1 61 ILE QG . . 4.520 3.417 2.225 4.294 . 0 0 "[ . 1 . ]" 1
387 1 58 VAL HB 1 59 ILE H . . 3.920 2.584 2.405 2.842 . 0 0 "[ . 1 . ]" 1
388 1 59 ILE H 1 59 ILE HB . . 3.800 2.358 2.220 2.485 . 0 0 "[ . 1 . ]" 1
389 1 59 ILE H 1 59 ILE MD . . 4.030 4.155 3.762 4.465 0.435 7 0 "[ . 1 . ]" 1
390 1 59 ILE H 1 59 ILE QG . . 4.160 3.224 2.523 4.052 . 0 0 "[ . 1 . ]" 1
391 1 59 ILE H 1 59 ILE MG . . 4.520 3.345 2.410 3.834 . 0 0 "[ . 1 . ]" 1
392 1 59 ILE H 1 60 GLU H . . 2.970 2.713 2.463 2.972 0.002 6 0 "[ . 1 . ]" 1
393 1 59 ILE HA 1 59 ILE MD . . 4.210 2.633 2.190 3.796 . 0 0 "[ . 1 . ]" 1
394 1 59 ILE HA 1 60 GLU HA . . 4.970 4.870 4.807 4.941 . 0 0 "[ . 1 . ]" 1
395 1 59 ILE HA 1 62 MET ME . . 3.980 3.377 2.327 4.344 0.364 11 0 "[ . 1 . ]" 1
396 1 59 ILE HB 1 60 GLU H . . 3.590 3.221 2.636 3.998 0.408 12 0 "[ . 1 . ]" 1
397 1 59 ILE MD 1 62 MET ME . . 4.330 2.899 2.332 3.811 . 0 0 "[ . 1 . ]" 1
398 1 59 ILE MD 1 63 GLN QG . . 5.840 5.056 2.918 5.886 0.046 15 0 "[ . 1 . ]" 1
399 1 59 ILE MG 1 63 GLN H . . 5.030 3.870 3.161 4.880 . 0 0 "[ . 1 . ]" 1
400 1 59 ILE MG 1 63 GLN QE . . 4.690 3.466 2.135 4.967 0.277 7 0 "[ . 1 . ]" 1
401 1 59 ILE MG 1 63 GLN QG . . 4.550 3.410 2.795 4.262 . 0 0 "[ . 1 . ]" 1
402 1 60 GLU H 1 61 ILE H . . 3.030 2.948 2.781 3.083 0.053 1 0 "[ . 1 . ]" 1
403 1 60 GLU H 1 62 MET QG . . 4.670 5.454 4.973 5.822 1.152 3 12 "[**+ **** ***-*. ]" 1
404 1 60 GLU HA 1 63 GLN H . . 4.630 3.927 3.649 4.312 . 0 0 "[ . 1 . ]" 1
405 1 60 GLU HA 1 64 LYS QE . . 4.710 4.135 3.022 5.012 0.302 5 0 "[ . 1 . ]" 1
406 1 60 GLU HA 1 64 LYS HE2 . . 5.500 4.644 3.220 6.062 0.562 5 1 "[ + 1 . ]" 1
407 1 60 GLU HA 1 64 LYS HE3 . . 5.500 4.943 3.075 6.465 0.965 14 2 "[ . -1 +. ]" 1
408 1 61 ILE H 1 61 ILE HB . . 3.900 3.319 2.494 3.736 . 0 0 "[ . 1 . ]" 1
409 1 61 ILE H 1 61 ILE MD . . 4.340 3.539 2.909 4.066 . 0 0 "[ . 1 . ]" 1
410 1 61 ILE H 1 61 ILE QG . . 3.380 2.465 2.105 2.919 . 0 0 "[ . 1 . ]" 1
411 1 61 ILE H 1 61 ILE MG . . 4.640 2.819 2.139 3.902 . 0 0 "[ . 1 . ]" 1
412 1 61 ILE H 1 62 MET H . . 2.950 2.673 2.445 3.039 0.089 15 0 "[ . 1 . ]" 1
413 1 61 ILE H 1 63 GLN QG . . 4.560 4.603 4.316 4.904 0.344 6 0 "[ . 1 . ]" 1
414 1 61 ILE HA 1 63 GLN H . . 4.180 4.755 4.425 5.066 0.886 6 9 "[ ** .+ * -*** * ]" 1
415 1 61 ILE HA 1 64 LYS H . . 4.130 3.257 2.888 3.784 . 0 0 "[ . 1 . ]" 1
416 1 61 ILE HA 1 64 LYS QE . . 4.570 3.928 2.737 4.497 . 0 0 "[ . 1 . ]" 1
417 1 61 ILE HA 1 64 LYS HE2 . . 5.280 4.865 2.798 5.560 0.280 13 0 "[ . 1 . ]" 1
418 1 61 ILE HA 1 64 LYS HE3 . . 5.280 4.279 3.235 5.016 . 0 0 "[ . 1 . ]" 1
419 1 61 ILE HA 1 64 LYS QG . . 4.570 3.572 2.366 4.374 . 0 0 "[ . 1 . ]" 1
420 1 61 ILE HB 1 62 MET H . . 4.320 3.696 2.545 4.371 0.051 4 0 "[ . 1 . ]" 1
421 1 61 ILE HB 1 215 THR MG . . 4.330 3.524 2.334 4.641 0.311 7 0 "[ . 1 . ]" 1
422 1 61 ILE MD 1 215 THR MG . . 4.990 2.962 1.984 4.855 . 0 0 "[ . 1 . ]" 1
423 1 61 ILE MD 1 61 ILE MG . . 3.650 2.257 2.009 3.277 . 0 0 "[ . 1 . ]" 1
424 1 61 ILE MG 1 62 MET H . . 4.710 3.947 3.650 4.316 . 0 0 "[ . 1 . ]" 1
425 1 61 ILE MG 1 62 MET HA . . 5.500 4.781 3.469 5.558 0.058 14 0 "[ . 1 . ]" 1
426 1 61 ILE MG 1 62 MET QG . . 5.840 4.544 3.622 5.259 . 0 0 "[ . 1 . ]" 1
427 1 61 ILE MG 1 215 THR MG . . 4.700 2.388 1.936 3.424 . 0 0 "[ . 1 . ]" 1
428 1 62 MET H 1 62 MET QB . . 3.410 2.574 2.414 2.741 . 0 0 "[ . 1 . ]" 1
429 1 62 MET H 1 62 MET QG . . 3.710 2.353 2.226 2.554 . 0 0 "[ . 1 . ]" 1
430 1 62 MET H 1 62 MET HG2 . . 4.400 3.156 2.293 3.809 . 0 0 "[ . 1 . ]" 1
431 1 62 MET H 1 62 MET HG3 . . 4.400 2.605 2.265 3.737 . 0 0 "[ . 1 . ]" 1
432 1 62 MET H 1 63 GLN H . . 3.020 2.767 2.498 3.012 . 0 0 "[ . 1 . ]" 1
433 1 62 MET H 1 64 LYS H . . 3.790 3.907 3.646 4.071 0.281 2 0 "[ . 1 . ]" 1
434 1 62 MET HA 1 62 MET QG . . 3.720 2.525 2.311 2.975 . 0 0 "[ . 1 . ]" 1
435 1 62 MET QB 1 63 GLN H . . 4.250 2.454 2.294 2.715 . 0 0 "[ . 1 . ]" 1
436 1 63 GLN H 1 63 GLN QB . . 3.490 2.621 2.477 2.739 . 0 0 "[ . 1 . ]" 1
437 1 63 GLN H 1 63 GLN QG . . 3.400 2.297 2.197 2.423 . 0 0 "[ . 1 . ]" 1
438 1 63 GLN H 1 63 GLN HG2 . . 3.920 2.342 2.247 2.455 . 0 0 "[ . 1 . ]" 1
439 1 63 GLN H 1 63 GLN HG3 . . 3.920 3.344 3.013 3.713 . 0 0 "[ . 1 . ]" 1
440 1 63 GLN HA 1 63 GLN QG . . 3.450 3.420 3.391 3.441 . 0 0 "[ . 1 . ]" 1
441 1 63 GLN HA 1 63 GLN HG2 . . 4.110 3.874 3.802 3.942 . 0 0 "[ . 1 . ]" 1
442 1 63 GLN HA 1 63 GLN HG3 . . 4.110 3.806 3.751 3.835 . 0 0 "[ . 1 . ]" 1
443 1 63 GLN QB 1 64 LYS H . . 3.610 3.705 3.629 3.849 0.239 15 0 "[ . 1 . ]" 1
444 1 63 GLN QG 1 64 LYS H . . 3.280 2.446 2.298 2.695 . 0 0 "[ . 1 . ]" 1
445 1 63 GLN HG2 1 64 LYS H . . 3.950 3.080 2.487 3.545 . 0 0 "[ . 1 . ]" 1
446 1 63 GLN HG3 1 64 LYS H . . 3.950 2.599 2.411 2.885 . 0 0 "[ . 1 . ]" 1
447 1 64 LYS H 1 64 LYS QG . . 4.180 3.116 2.445 4.151 . 0 0 "[ . 1 . ]" 1
448 1 65 PRO QB 1 156 LEU HB2 . . 3.560 2.556 2.359 3.272 . 0 0 "[ . 1 . ]" 1
449 1 22 PHE HZ 1 66 ARG H . . 5.220 4.858 4.169 5.704 0.484 12 0 "[ . 1 . ]" 1
450 1 66 ARG H 1 66 ARG HE . . 4.800 4.506 3.892 5.206 0.406 4 0 "[ . 1 . ]" 1
451 1 66 ARG H 1 155 THR HA . . 4.290 4.423 3.923 4.692 0.402 12 0 "[ . 1 . ]" 1
452 1 66 ARG H 1 156 LEU H . . 3.970 3.641 2.860 4.749 0.779 6 1 "[ .+ 1 . ]" 1
453 1 66 ARG H 1 156 LEU QB . . 4.780 2.331 2.213 2.541 . 0 0 "[ . 1 . ]" 1
454 1 66 ARG H 1 156 LEU HB2 . . 4.610 2.488 2.353 2.722 . 0 0 "[ . 1 . ]" 1
455 1 22 PHE HZ 1 66 ARG HE . . 5.230 4.094 2.892 5.488 0.258 1 0 "[ . 1 . ]" 1
456 1 66 ARG HE 1 67 CYS H . . 4.400 2.677 2.233 4.201 . 0 0 "[ . 1 . ]" 1
457 1 67 CYS H 1 67 CYS QB . . 3.430 2.944 2.760 3.406 . 0 0 "[ . 1 . ]" 1
458 1 67 CYS H 1 67 CYS HB2 . . 3.990 3.265 2.923 4.134 0.144 3 0 "[ . 1 . ]" 1
459 1 67 CYS H 1 67 CYS HB3 . . 3.990 3.427 3.078 3.890 . 0 0 "[ . 1 . ]" 1
460 1 67 CYS HA 1 69 VAL H . . 4.110 4.427 4.270 4.647 0.537 6 1 "[ .+ 1 . ]" 1
461 1 67 CYS QB 1 68 GLY H . . 4.220 3.047 2.447 3.631 . 0 0 "[ . 1 . ]" 1
462 1 67 CYS QB 1 69 VAL H . . 4.330 2.824 2.334 4.632 0.302 15 0 "[ . 1 . ]" 1
463 1 67 CYS QB 1 204 HIS HE1 . . 4.550 2.962 2.755 3.812 . 0 0 "[ . 1 . ]" 1
464 1 67 CYS HB2 1 68 GLY H . . 4.910 4.053 2.603 4.300 . 0 0 "[ . 1 . ]" 1
465 1 67 CYS HB2 1 69 VAL H . . 5.060 4.351 3.114 5.561 0.501 15 1 "[ . 1 + ]" 1
466 1 67 CYS HB2 1 204 HIS HE1 . . 5.320 3.170 2.840 4.397 . 0 0 "[ . 1 . ]" 1
467 1 67 CYS HB3 1 68 GLY H . . 4.910 3.246 2.474 4.015 . 0 0 "[ . 1 . ]" 1
468 1 67 CYS HB3 1 69 VAL H . . 5.060 2.962 2.374 4.957 . 0 0 "[ . 1 . ]" 1
469 1 67 CYS HB3 1 204 HIS HE1 . . 5.320 3.750 3.351 5.163 . 0 0 "[ . 1 . ]" 1
470 1 68 GLY H 1 69 VAL H . . 3.050 2.631 2.375 2.771 . 0 0 "[ . 1 . ]" 1
471 1 68 GLY H 1 155 THR HA . . 4.950 4.950 4.656 5.285 0.335 9 0 "[ . 1 . ]" 1
472 1 68 GLY H 1 155 THR MG . . 4.430 4.339 4.139 4.564 0.134 7 0 "[ . 1 . ]" 1
473 1 68 GLY H 1 156 LEU H . . 4.250 3.767 3.304 4.299 0.049 7 0 "[ . 1 . ]" 1
474 1 68 GLY H 1 156 LEU QB . . 5.340 4.186 3.871 4.292 . 0 0 "[ . 1 . ]" 1
475 1 68 GLY H 1 157 ALA H . . 3.430 2.467 2.320 2.632 . 0 0 "[ . 1 . ]" 1
476 1 68 GLY H 1 158 HIS HB3 . . 4.680 4.911 4.481 5.206 0.526 12 2 "[ . 1 + .-]" 1
477 1 68 GLY H 1 159 ALA H . . 4.700 4.843 4.227 5.358 0.658 16 3 "[ *. 1 -.+]" 1
478 1 68 GLY H 1 198 HIS HD2 . . 5.190 5.203 4.776 5.486 0.296 1 0 "[ . 1 . ]" 1
479 1 68 GLY QA 1 155 THR MG . . 3.880 2.113 2.038 2.283 . 0 0 "[ . 1 . ]" 1
480 1 68 GLY HA2 1 155 THR MG . . 4.550 2.343 2.185 2.682 . 0 0 "[ . 1 . ]" 1
481 1 68 GLY HA3 1 155 THR MG . . 4.480 2.432 2.274 2.677 . 0 0 "[ . 1 . ]" 1
482 1 68 GLY HA3 1 157 ALA H . . 3.810 3.037 2.855 3.210 . 0 0 "[ . 1 . ]" 1
483 1 69 VAL H 1 69 VAL HB . . 3.480 2.911 2.252 3.741 0.261 13 0 "[ . 1 . ]" 1
484 1 69 VAL H 1 159 ALA H . . 4.450 5.052 3.417 5.416 0.966 4 14 [***+*****1**-*.*] 1
485 1 69 VAL HA 1 70 PRO QD . . 3.520 2.190 2.164 2.212 . 0 0 "[ . 1 . ]" 1
486 1 69 VAL HA 1 70 PRO QG . . 3.840 4.119 4.082 4.162 0.322 11 0 "[ . 1 . ]" 1
487 1 69 VAL HB 1 70 PRO QD . . 4.310 3.719 2.376 4.027 . 0 0 "[ . 1 . ]" 1
488 1 70 PRO QB 1 71 ASP H . . 3.900 2.773 2.346 3.305 . 0 0 "[ . 1 . ]" 1
489 1 70 PRO QB 1 72 VAL H . . 3.960 2.551 2.272 3.052 . 0 0 "[ . 1 . ]" 1
490 1 70 PRO QD 1 147 TYR QD . . 4.600 4.440 3.474 4.926 0.326 9 0 "[ . 1 . ]" 1
491 1 71 ASP H 1 72 VAL H . . 2.720 2.589 2.398 2.889 0.169 15 0 "[ . 1 . ]" 1
492 1 72 VAL H 1 72 VAL HB . . 3.930 3.762 3.641 3.985 0.055 16 0 "[ . 1 . ]" 1
493 1 72 VAL H 1 73 ALA H . . 4.220 4.414 4.262 4.488 0.268 10 0 "[ . 1 . ]" 1
494 1 72 VAL H 1 73 ALA MB . . 4.850 4.674 4.360 5.062 0.212 10 0 "[ . 1 . ]" 1
495 1 72 VAL HA 1 73 ALA H . . 3.480 2.557 2.307 2.763 . 0 0 "[ . 1 . ]" 1
496 1 72 VAL HB 1 73 ALA H . . 3.890 2.686 2.400 3.746 . 0 0 "[ . 1 . ]" 1
497 1 73 ALA H 1 74 GLU H . . 4.320 4.459 4.330 4.557 0.237 10 0 "[ . 1 . ]" 1
498 1 73 ALA HA 1 74 GLU H . . 3.470 2.368 2.316 2.463 . 0 0 "[ . 1 . ]" 1
499 1 73 ALA HA 1 74 GLU QB . . 3.650 3.964 3.743 4.182 0.532 2 1 "[ + . 1 . ]" 1
500 1 73 ALA HA 1 74 GLU HB2 . . 4.230 4.083 3.838 4.305 0.075 2 0 "[ . 1 . ]" 1
501 1 73 ALA MB 1 74 GLU H . . 4.230 2.888 2.492 3.376 . 0 0 "[ . 1 . ]" 1
502 1 74 GLU H 1 74 GLU QB . . 3.500 2.959 2.721 3.046 . 0 0 "[ . 1 . ]" 1
503 1 74 GLU H 1 74 GLU QG . . 3.990 4.218 3.900 4.367 0.377 3 0 "[ . 1 . ]" 1
504 1 74 GLU H 1 75 TYR H . . 4.360 3.898 3.129 4.409 0.049 4 0 "[ . 1 . ]" 1
505 1 75 TYR H 1 75 TYR QB . . 3.270 2.956 2.238 3.230 . 0 0 "[ . 1 . ]" 1
506 1 75 TYR H 1 75 TYR QD . . 4.320 3.485 2.557 4.099 . 0 0 "[ . 1 . ]" 1
507 1 75 TYR HA 1 75 TYR QD . . 3.750 2.772 2.470 3.064 . 0 0 "[ . 1 . ]" 1
508 1 76 SER QB 1 78 PHE H . . 4.320 4.045 2.863 4.586 0.266 4 0 "[ . 1 . ]" 1
509 1 76 SER HB2 1 78 PHE H . . 4.970 4.547 2.970 4.972 0.002 16 0 "[ . 1 . ]" 1
510 1 76 SER HB3 1 78 PHE H . . 4.970 4.769 2.901 5.447 0.477 4 0 "[ . 1 . ]" 1
511 1 77 LEU H 1 78 PHE H . . 4.370 3.806 2.911 4.370 . 0 0 "[ . 1 . ]" 1
512 1 77 LEU HA 1 77 LEU HG . . 3.850 2.993 2.399 3.789 . 0 0 "[ . 1 . ]" 1
513 1 78 PHE H 1 78 PHE QB . . 3.580 2.644 2.270 3.480 . 0 0 "[ . 1 . ]" 1
514 1 78 PHE H 1 78 PHE QD . . 3.200 3.090 2.494 3.623 0.423 7 0 "[ . 1 . ]" 1
515 1 78 PHE H 1 79 PRO QD . . 4.790 4.366 4.080 4.501 . 0 0 "[ . 1 . ]" 1
516 1 78 PHE H 1 79 PRO HD2 . . 5.500 4.938 4.815 5.054 . 0 0 "[ . 1 . ]" 1
517 1 78 PHE H 1 79 PRO HD3 . . 5.500 4.885 4.406 5.196 . 0 0 "[ . 1 . ]" 1
518 1 78 PHE QB 1 79 PRO HD2 . . 4.020 2.656 2.300 3.619 . 0 0 "[ . 1 . ]" 1
519 1 79 PRO HD2 1 163 GLY QA . . 4.050 4.073 2.788 4.699 0.649 14 3 "[ . *1 - +. ]" 1
520 1 79 PRO HD3 1 163 GLY QA . . 3.530 3.442 2.835 3.860 0.330 13 0 "[ . 1 . ]" 1
521 1 79 PRO QG 1 161 ALA MB . . 4.330 3.168 2.363 4.654 0.324 10 0 "[ . 1 . ]" 1
522 1 79 PRO QG 1 163 GLY QA . . 1.800 2.249 2.054 2.492 0.692 9 6 "[ * . *+1 * *.-]" 1
523 1 79 PRO HG2 1 161 ALA MB . . 4.960 3.600 2.486 4.954 . 0 0 "[ . 1 . ]" 1
524 1 79 PRO HG3 1 161 ALA MB . . 4.960 3.666 2.656 5.649 0.689 10 1 "[ . + . ]" 1
525 1 81 SER QB 1 83 LYS H . . 4.860 3.558 2.912 4.672 . 0 0 "[ . 1 . ]" 1
526 1 82 PRO QB 1 83 LYS H . . 3.970 3.504 3.369 3.676 . 0 0 "[ . 1 . ]" 1
527 1 82 PRO HD2 1 83 LYS QG . . 3.970 4.088 3.515 4.410 0.440 5 0 "[ . 1 . ]" 1
528 1 83 LYS H 1 83 LYS QB . . 3.600 3.007 2.521 3.486 . 0 0 "[ . 1 . ]" 1
529 1 83 LYS H 1 83 LYS QE . . 4.830 5.056 4.253 5.383 0.553 13 2 "[ . 1 -+ . ]" 1
530 1 83 LYS H 1 83 LYS QG . . 3.470 2.464 2.339 2.682 . 0 0 "[ . 1 . ]" 1
531 1 83 LYS QB 1 84 TRP H . . 3.920 2.420 2.236 2.976 . 0 0 "[ . 1 . ]" 1
532 1 83 LYS HB2 1 84 TRP H . . 3.890 2.938 2.334 3.971 0.081 16 0 "[ . 1 . ]" 1
533 1 83 LYS HB3 1 84 TRP H . . 3.890 2.750 2.382 3.519 . 0 0 "[ . 1 . ]" 1
534 1 83 LYS QD 1 202 MET HA . . 4.320 4.446 3.946 4.775 0.455 2 0 "[ . 1 . ]" 1
535 1 83 LYS QD 1 202 MET ME . . 5.040 4.735 3.798 5.511 0.471 8 0 "[ . 1 . ]" 1
536 1 83 LYS QD 1 234 ILE MD . . 5.470 4.120 2.321 5.030 . 0 0 "[ . 1 . ]" 1
537 1 83 LYS QD 1 234 ILE HG13 . . 4.040 3.839 2.274 4.450 0.410 12 0 "[ . 1 . ]" 1
538 1 83 LYS QD 1 237 LEU HG . . 3.740 4.468 4.078 4.926 1.186 12 12 "[** *.* **-+****]" 1
539 1 83 LYS QD 1 238 TYR QD . . 4.010 4.240 3.290 4.859 0.849 13 8 "[* .*-*** *+ . ]" 1
540 1 83 LYS QE 1 202 MET ME . . 3.940 3.696 2.483 4.257 0.317 8 0 "[ . 1 . ]" 1
541 1 83 LYS QE 1 234 ILE MD . . 4.880 2.761 2.261 4.006 . 0 0 "[ . 1 . ]" 1
542 1 83 LYS QE 1 238 TYR QD . . 3.970 3.179 2.555 4.483 0.513 14 1 "[ . 1 +. ]" 1
543 1 83 LYS QG 1 84 TRP H . . 4.580 4.265 4.101 4.585 0.005 16 0 "[ . 1 . ]" 1
544 1 84 TRP H 1 84 TRP QB . . 3.350 2.447 2.379 2.504 . 0 0 "[ . 1 . ]" 1
545 1 84 TRP H 1 84 TRP HB2 . . 3.960 2.486 2.411 2.546 . 0 0 "[ . 1 . ]" 1
546 1 84 TRP H 1 84 TRP HB3 . . 3.960 3.664 3.631 3.714 . 0 0 "[ . 1 . ]" 1
547 1 84 TRP H 1 84 TRP HD1 . . 3.420 2.868 2.471 3.190 . 0 0 "[ . 1 . ]" 1
548 1 84 TRP H 1 200 LEU HB3 . . 4.800 3.812 3.324 4.368 . 0 0 "[ . 1 . ]" 1
549 1 84 TRP H 1 234 ILE MD . . 4.900 5.099 4.588 5.623 0.723 3 1 "[ + . 1 . ]" 1
550 1 84 TRP HA 1 86 SER H . . 3.990 3.422 3.074 3.855 . 0 0 "[ . 1 . ]" 1
551 1 84 TRP QB 1 86 SER H . . 3.570 2.728 2.348 3.423 . 0 0 "[ . 1 . ]" 1
552 1 84 TRP QB 1 122 LEU HG . . 4.560 4.487 4.374 4.702 0.142 10 0 "[ . 1 . ]" 1
553 1 84 TRP HB3 1 86 SER H . . 4.120 2.764 2.365 3.501 . 0 0 "[ . 1 . ]" 1
554 1 84 TRP HE1 1 134 ILE MD . . 4.030 3.001 2.442 3.670 . 0 0 "[ . 1 . ]" 1
555 1 84 TRP HE1 1 199 SER HA . . 4.160 4.393 3.768 4.927 0.767 15 7 "[*-*** * 1 + ]" 1
556 1 84 TRP HE1 1 200 LEU H . . 4.280 4.692 4.373 5.086 0.806 10 8 "[***** * + - . ]" 1
557 1 84 TRP HZ2 1 134 ILE MD . . 4.830 2.746 2.337 3.361 . 0 0 "[ . 1 . ]" 1
558 1 84 TRP HZ2 1 168 GLY HA2 . . 4.090 4.267 3.542 5.001 0.911 8 7 "[ . +*1****.-]" 1
559 1 85 THR H 1 86 SER H . . 4.430 2.510 2.294 2.808 . 0 0 "[ . 1 . ]" 1
560 1 85 THR HA 1 85 THR MG . . 3.740 2.661 2.248 3.313 . 0 0 "[ . 1 . ]" 1
561 1 85 THR HA 1 86 SER H . . 3.470 3.420 3.097 3.632 0.162 9 0 "[ . 1 . ]" 1
562 1 85 THR MG 1 86 SER H . . 4.980 4.003 2.423 4.619 . 0 0 "[ . 1 . ]" 1
563 1 86 SER H 1 86 SER HB2 . . 3.450 2.610 2.460 2.858 . 0 0 "[ . 1 . ]" 1
564 1 86 SER H 1 86 SER HB3 . . 3.450 3.649 3.609 3.720 0.270 13 0 "[ . 1 . ]" 1
565 1 86 SER HB2 1 88 VAL H . . 3.480 3.219 2.934 3.549 0.069 3 0 "[ . 1 . ]" 1
566 1 86 SER HB3 1 88 VAL H . . 3.480 2.751 2.511 3.024 . 0 0 "[ . 1 . ]" 1
567 1 87 LYS H 1 88 VAL H . . 3.620 2.597 2.469 2.830 . 0 0 "[ . 1 . ]" 1
568 1 88 VAL H 1 88 VAL HB . . 3.010 3.100 2.942 3.300 0.290 9 0 "[ . 1 . ]" 1
569 1 88 VAL H 1 89 VAL H . . 4.200 4.461 4.365 4.534 0.334 4 0 "[ . 1 . ]" 1
570 1 88 VAL H 1 123 HIS QB . . 4.580 5.113 4.918 5.272 0.692 14 12 "[* * .*******-+.*]" 1
571 1 88 VAL HA 1 123 HIS QB . . 4.660 2.940 2.659 3.169 . 0 0 "[ . 1 . ]" 1
572 1 88 VAL HB 1 89 VAL H . . 5.500 4.254 4.128 4.325 . 0 0 "[ . 1 . ]" 1
573 1 89 VAL H 1 89 VAL HB . . 3.440 2.621 2.495 2.747 . 0 0 "[ . 1 . ]" 1
574 1 89 VAL H 1 90 THR H . . 4.590 4.511 4.461 4.540 . 0 0 "[ . 1 . ]" 1
575 1 89 VAL H 1 123 HIS QB . . 4.340 4.500 4.133 4.784 0.444 14 0 "[ . 1 . ]" 1
576 1 89 VAL H 1 123 HIS HD2 . . 4.580 4.951 4.727 5.138 0.558 12 4 "[ .- 1 +**. ]" 1
577 1 89 VAL H 1 124 PHE HA . . 4.030 2.515 2.414 2.639 . 0 0 "[ . 1 . ]" 1
578 1 89 VAL H 1 124 PHE QD . . 4.250 3.334 2.752 4.025 . 0 0 "[ . 1 . ]" 1
579 1 89 VAL H 1 124 PHE QE . . 5.500 4.817 4.224 5.424 . 0 0 "[ . 1 . ]" 1
580 1 89 VAL HA 1 90 THR H . . 3.330 2.391 2.328 2.448 . 0 0 "[ . 1 . ]" 1
581 1 89 VAL HB 1 124 PHE HA . . 4.600 3.615 2.821 4.063 . 0 0 "[ . 1 . ]" 1
582 1 89 VAL HB 1 124 PHE QD . . 3.810 2.961 2.475 3.553 . 0 0 "[ . 1 . ]" 1
583 1 89 VAL HB 1 124 PHE QE . . 4.130 3.393 2.433 4.230 0.100 14 0 "[ . 1 . ]" 1
584 1 90 THR H 1 90 THR MG . . 3.690 3.123 2.503 3.731 0.041 7 0 "[ . 1 . ]" 1
585 1 90 THR H 1 91 TYR H . . 5.010 4.503 4.436 4.540 . 0 0 "[ . 1 . ]" 1
586 1 90 THR H 1 125 ARG H . . 4.890 5.151 4.958 5.318 0.428 15 0 "[ . 1 . ]" 1
587 1 90 THR H 1 133 ASP H . . 3.400 3.234 2.995 3.465 0.065 2 0 "[ . 1 . ]" 1
588 1 90 THR H 1 133 ASP QB . . 3.670 2.662 2.448 3.131 . 0 0 "[ . 1 . ]" 1
589 1 90 THR H 1 134 ILE H . . 4.000 3.777 3.497 4.193 0.193 13 0 "[ . 1 . ]" 1
590 1 90 THR H 1 134 ILE MD . . 4.680 4.087 2.912 4.628 . 0 0 "[ . 1 . ]" 1
591 1 90 THR HA 1 91 TYR H . . 3.260 2.459 2.393 2.551 . 0 0 "[ . 1 . ]" 1
592 1 90 THR HA 1 125 ARG H . . 3.570 3.095 2.893 3.205 . 0 0 "[ . 1 . ]" 1
593 1 90 THR HB 1 91 TYR H . . 3.620 2.675 2.466 3.099 . 0 0 "[ . 1 . ]" 1
594 1 90 THR HB 1 132 ALA MB . . 4.350 2.729 2.370 3.689 . 0 0 "[ . 1 . ]" 1
595 1 90 THR HB 1 133 ASP H . . 4.040 3.748 2.922 4.663 0.623 12 1 "[ . 1 + . ]" 1
596 1 90 THR MG 1 91 TYR H . . 4.200 3.736 3.184 4.366 0.166 13 0 "[ . 1 . ]" 1
597 1 90 THR MG 1 125 ARG H . . 4.590 3.059 2.712 3.309 . 0 0 "[ . 1 . ]" 1
598 1 90 THR MG 1 125 ARG QB . . 4.130 2.283 2.009 2.423 . 0 0 "[ . 1 . ]" 1
599 1 90 THR MG 1 133 ASP H . . 4.740 4.210 3.774 4.839 0.099 10 0 "[ . 1 . ]" 1
600 1 91 TYR H 1 91 TYR HB2 . . 4.170 3.887 3.822 3.941 . 0 0 "[ . 1 . ]" 1
601 1 91 TYR H 1 91 TYR HB3 . . 3.940 3.308 3.223 3.388 . 0 0 "[ . 1 . ]" 1
602 1 91 TYR H 1 91 TYR QD . . 3.400 2.613 2.541 2.758 . 0 0 "[ . 1 . ]" 1
603 1 91 TYR H 1 91 TYR QE . . 4.240 4.013 3.933 4.157 . 0 0 "[ . 1 . ]" 1
604 1 91 TYR H 1 126 LYS HA . . 4.560 4.626 4.189 5.116 0.556 13 2 "[ . - 1 + . ]" 1
605 1 91 TYR H 1 132 ALA MB . . 3.700 3.024 2.886 3.191 . 0 0 "[ . 1 . ]" 1
606 1 91 TYR HA 1 92 ARG H . . 3.390 2.344 2.317 2.374 . 0 0 "[ . 1 . ]" 1
607 1 91 TYR HA 1 132 ALA MB . . 4.310 2.611 2.441 2.768 . 0 0 "[ . 1 . ]" 1
608 1 91 TYR HA 1 134 ILE H . . 4.000 2.586 2.368 2.796 . 0 0 "[ . 1 . ]" 1
609 1 91 TYR HA 1 134 ILE MG . . 3.920 4.030 3.888 4.167 0.247 12 0 "[ . 1 . ]" 1
610 1 91 TYR QB 1 134 ILE HB . . 4.280 2.392 2.250 2.548 . 0 0 "[ . 1 . ]" 1
611 1 91 TYR QB 1 136 ILE MD . . 4.250 2.572 2.304 2.760 . 0 0 "[ . 1 . ]" 1
612 1 91 TYR HB2 1 93 ILE MD . . 4.590 4.181 4.025 4.366 . 0 0 "[ . 1 . ]" 1
613 1 91 TYR HB2 1 136 ILE MD . . 4.330 2.624 2.328 2.818 . 0 0 "[ . 1 . ]" 1
614 1 91 TYR HB3 1 134 ILE H . . 4.280 4.017 3.873 4.204 . 0 0 "[ . 1 . ]" 1
615 1 91 TYR HB3 1 134 ILE HB . . 4.250 2.578 2.395 2.720 . 0 0 "[ . 1 . ]" 1
616 1 91 TYR HB3 1 134 ILE MG . . 4.430 3.732 3.435 3.990 . 0 0 "[ . 1 . ]" 1
617 1 91 TYR HB3 1 136 ILE MD . . 5.210 3.710 3.568 3.953 . 0 0 "[ . 1 . ]" 1
618 1 91 TYR HB3 1 136 ILE QG . . 4.500 4.691 4.459 5.061 0.561 14 1 "[ . 1 +. ]" 1
619 1 91 TYR HB3 1 136 ILE HG12 . . 5.230 5.136 4.888 5.579 0.349 14 0 "[ . 1 . ]" 1
620 1 91 TYR HB3 1 136 ILE HG13 . . 5.230 5.423 5.146 5.798 0.568 14 1 "[ . 1 +. ]" 1
621 1 91 TYR QD 1 92 ARG H . . 4.380 4.220 4.043 4.430 0.050 11 0 "[ . 1 . ]" 1
622 1 91 TYR QD 1 93 ILE MD . . 5.080 3.057 2.852 3.238 . 0 0 "[ . 1 . ]" 1
623 1 91 TYR QD 1 125 ARG H . . 4.520 4.182 3.757 4.366 . 0 0 "[ . 1 . ]" 1
624 1 91 TYR QD 1 126 LYS HA . . 4.630 4.703 4.263 5.252 0.622 13 2 "[ . - 1 + . ]" 1
625 1 91 TYR QD 1 134 ILE HB . . 4.520 4.555 4.421 4.681 0.161 5 0 "[ . 1 . ]" 1
626 1 91 TYR QD 1 136 ILE MD . . 4.000 3.982 3.497 4.175 0.175 5 0 "[ . 1 . ]" 1
627 1 91 TYR QD 1 136 ILE QG . . 4.880 3.499 3.427 3.568 . 0 0 "[ . 1 . ]" 1
628 1 91 TYR QE 1 93 ILE MD . . 4.160 3.891 3.461 4.087 . 0 0 "[ . 1 . ]" 1
629 1 91 TYR QE 1 125 ARG H . . 4.300 3.967 3.521 4.194 . 0 0 "[ . 1 . ]" 1
630 1 92 ARG H 1 93 ILE H . . 4.150 4.499 4.471 4.522 0.372 3 0 "[ . 1 . ]" 1
631 1 92 ARG H 1 132 ALA MB . . 3.690 2.639 2.442 2.970 . 0 0 "[ . 1 . ]" 1
632 1 92 ARG H 1 134 ILE H . . 4.400 4.184 3.801 4.408 0.008 3 0 "[ . 1 . ]" 1
633 1 92 ARG H 1 134 ILE HB . . 4.640 3.968 3.622 4.561 . 0 0 "[ . 1 . ]" 1
634 1 92 ARG H 1 135 MET HA . . 3.870 2.877 2.572 3.523 . 0 0 "[ . 1 . ]" 1
635 1 92 ARG H 1 135 MET ME . . 4.950 3.718 2.823 4.105 . 0 0 "[ . 1 . ]" 1
636 1 92 ARG H 1 136 ILE H . . 3.820 3.787 3.660 4.033 0.213 13 0 "[ . 1 . ]" 1
637 1 92 ARG H 1 136 ILE MD . . 3.890 3.920 3.701 4.108 0.218 13 0 "[ . 1 . ]" 1
638 1 92 ARG HA 1 92 ARG QD . . 4.510 3.567 2.594 3.950 . 0 0 "[ . 1 . ]" 1
639 1 92 ARG HA 1 92 ARG HD3 . . 5.120 4.408 3.432 4.752 . 0 0 "[ . 1 . ]" 1
640 1 92 ARG HA 1 92 ARG HD2 . . 5.120 3.799 2.685 4.791 . 0 0 "[ . 1 . ]" 1
641 1 92 ARG HA 1 92 ARG HE . . 5.240 5.174 5.016 5.470 0.230 4 0 "[ . 1 . ]" 1
642 1 92 ARG HA 1 135 MET ME . . 4.730 4.637 4.420 4.778 0.048 12 0 "[ . 1 . ]" 1
643 1 92 ARG QB 1 131 THR HA . . 4.010 4.012 3.848 4.410 0.400 12 0 "[ . 1 . ]" 1
644 1 92 ARG QB 1 132 ALA H . . 4.010 3.273 2.900 3.636 . 0 0 "[ . 1 . ]" 1
645 1 92 ARG QB 1 132 ALA MB . . 4.540 2.054 1.971 2.175 . 0 0 "[ . 1 . ]" 1
646 1 92 ARG HB2 1 92 ARG HE . . 5.500 4.434 3.112 4.643 . 0 0 "[ . 1 . ]" 1
647 1 92 ARG HB2 1 131 THR HA . . 4.720 4.572 4.137 5.034 0.314 12 0 "[ . 1 . ]" 1
648 1 92 ARG HB2 1 132 ALA H . . 4.800 3.976 3.205 4.399 . 0 0 "[ . 1 . ]" 1
649 1 92 ARG HB3 1 92 ARG HE . . 5.500 4.622 2.764 5.227 . 0 0 "[ . 1 . ]" 1
650 1 92 ARG HB3 1 131 THR HA . . 4.720 4.464 4.225 4.875 0.155 12 0 "[ . 1 . ]" 1
651 1 92 ARG HB3 1 132 ALA H . . 4.800 3.499 3.075 3.876 . 0 0 "[ . 1 . ]" 1
652 1 92 ARG QD 1 93 ILE H . . 4.500 4.068 2.946 4.417 . 0 0 "[ . 1 . ]" 1
653 1 92 ARG QD 1 128 VAL H . . 5.010 4.849 3.950 5.682 0.672 11 2 "[ . - 1+ . ]" 1
654 1 92 ARG QD 1 131 THR HA . . 4.830 3.134 2.737 3.900 . 0 0 "[ . 1 . ]" 1
655 1 92 ARG QD 1 132 ALA H . . 3.830 3.988 3.384 4.935 1.105 15 2 "[ .- 1 + ]" 1
656 1 92 ARG QD 1 132 ALA MB . . 3.860 3.303 3.154 3.479 . 0 0 "[ . 1 . ]" 1
657 1 92 ARG QD 1 135 MET ME . . 4.480 3.493 2.853 4.139 . 0 0 "[ . 1 . ]" 1
658 1 92 ARG HD3 1 132 ALA MB . . 4.400 3.570 3.255 3.910 . 0 0 "[ . 1 . ]" 1
659 1 92 ARG HD3 1 135 MET ME . . 5.210 3.642 2.895 4.468 . 0 0 "[ . 1 . ]" 1
660 1 92 ARG HD2 1 132 ALA MB . . 4.400 4.009 3.544 4.667 0.267 12 0 "[ . 1 . ]" 1
661 1 92 ARG HD2 1 135 MET ME . . 5.210 4.653 4.294 4.900 . 0 0 "[ . 1 . ]" 1
662 1 92 ARG HE 1 127 VAL HB . . 5.280 5.257 4.566 5.907 0.627 5 2 "[ +- 1 . ]" 1
663 1 92 ARG QG 1 93 ILE H . . 3.410 2.288 2.175 2.497 . 0 0 "[ . 1 . ]" 1
664 1 93 ILE H 1 93 ILE HB . . 3.170 2.621 2.390 2.709 . 0 0 "[ . 1 . ]" 1
665 1 93 ILE H 1 93 ILE MD . . 3.910 2.845 2.237 3.136 . 0 0 "[ . 1 . ]" 1
666 1 93 ILE H 1 93 ILE QG . . 3.470 2.562 2.293 3.579 0.109 12 0 "[ . 1 . ]" 1
667 1 93 ILE H 1 93 ILE MG . . 4.360 3.863 3.785 3.916 . 0 0 "[ . 1 . ]" 1
668 1 93 ILE H 1 94 VAL H . . 4.620 4.626 4.596 4.675 0.055 2 0 "[ . 1 . ]" 1
669 1 93 ILE HB 1 94 VAL H . . 4.120 4.042 3.931 4.281 0.161 12 0 "[ . 1 . ]" 1
670 1 93 ILE MD 1 94 VAL H . . 5.010 4.325 4.100 4.850 . 0 0 "[ . 1 . ]" 1
671 1 93 ILE MD 1 102 HIS HD2 . . 4.360 4.880 4.788 5.103 0.743 4 7 "[* +.* *1* *-]" 1
672 1 93 ILE MD 1 106 ASP H . . 4.700 4.397 4.312 4.512 . 0 0 "[ . 1 . ]" 1
673 1 93 ILE MD 1 106 ASP HA . . 3.800 2.291 2.238 2.374 . 0 0 "[ . 1 . ]" 1
674 1 93 ILE MD 1 109 VAL HB . . 4.450 3.968 3.809 4.277 . 0 0 "[ . 1 . ]" 1
675 1 93 ILE MD 1 136 ILE H . . 4.880 3.784 3.635 4.372 . 0 0 "[ . 1 . ]" 1
676 1 93 ILE QG 1 136 ILE HB . . 3.810 3.787 2.369 4.176 0.366 6 0 "[ . 1 . ]" 1
677 1 93 ILE HG12 1 136 ILE HB . . 4.440 4.623 4.084 4.886 0.446 8 0 "[ . 1 . ]" 1
678 1 93 ILE HG13 1 136 ILE HB . . 4.440 4.115 2.384 4.621 0.181 6 0 "[ . 1 . ]" 1
679 1 93 ILE MD 1 93 ILE MG . . 3.430 2.489 2.247 3.354 . 0 0 "[ . 1 . ]" 1
680 1 93 ILE MG 1 94 VAL H . . 4.210 2.474 2.372 2.602 . 0 0 "[ . 1 . ]" 1
681 1 93 ILE MG 1 95 SER H . . 3.800 2.578 2.515 2.657 . 0 0 "[ . 1 . ]" 1
682 1 93 ILE MG 1 102 HIS HD2 . . 4.180 2.471 2.380 2.699 . 0 0 "[ . 1 . ]" 1
683 1 93 ILE MG 1 136 ILE H . . 4.680 4.146 4.071 4.277 . 0 0 "[ . 1 . ]" 1
684 1 93 ILE MG 1 136 ILE MG . . 4.660 3.276 3.017 3.933 . 0 0 "[ . 1 . ]" 1
685 1 94 VAL H 1 94 VAL HB . . 3.540 2.638 2.560 2.752 . 0 0 "[ . 1 . ]" 1
686 1 94 VAL H 1 95 SER H . . 2.540 2.423 2.366 2.461 . 0 0 "[ . 1 . ]" 1
687 1 94 VAL H 1 95 SER QB . . 5.210 4.612 4.470 5.007 . 0 0 "[ . 1 . ]" 1
688 1 94 VAL H 1 136 ILE H . . 3.210 3.109 2.925 3.282 0.072 16 0 "[ . 1 . ]" 1
689 1 94 VAL H 1 136 ILE HB . . 4.230 3.575 3.427 3.728 . 0 0 "[ . 1 . ]" 1
690 1 94 VAL HB 1 95 SER H . . 3.530 2.406 2.358 2.458 . 0 0 "[ . 1 . ]" 1
691 1 94 VAL HB 1 137 GLY QA . . 4.180 2.372 2.233 2.517 . 0 0 "[ . 1 . ]" 1
692 1 94 VAL HB 1 137 GLY HA2 . . 4.760 2.673 2.417 3.017 . 0 0 "[ . 1 . ]" 1
693 1 94 VAL HB 1 137 GLY HA3 . . 4.760 2.675 2.543 2.867 . 0 0 "[ . 1 . ]" 1
694 1 95 SER H 1 95 SER QB . . 3.550 2.614 2.482 3.043 . 0 0 "[ . 1 . ]" 1
695 1 95 SER H 1 137 GLY QA . . 4.350 2.491 2.402 2.584 . 0 0 "[ . 1 . ]" 1
696 1 95 SER H 1 138 PHE H . . 3.880 3.756 3.525 3.975 0.095 14 0 "[ . 1 . ]" 1
697 1 95 SER QB 1 96 TYR H . . 3.610 3.121 2.363 3.443 . 0 0 "[ . 1 . ]" 1
698 1 95 SER QB 1 138 PHE QD . . 4.290 3.483 2.728 4.605 0.315 5 0 "[ . 1 . ]" 1
699 1 96 TYR H 1 96 TYR QB . . 3.240 3.171 3.051 3.245 0.005 8 0 "[ . 1 . ]" 1
700 1 96 TYR HA 1 97 THR H . . 3.740 2.428 2.364 2.499 . 0 0 "[ . 1 . ]" 1
701 1 96 TYR HA 1 102 HIS HD2 . . 3.960 4.191 2.639 4.764 0.804 7 6 "[ * + *- *.*]" 1
702 1 96 TYR HA 1 138 PHE QD . . 4.000 3.247 2.677 3.900 . 0 0 "[ . 1 . ]" 1
703 1 96 TYR QB 1 102 HIS HD2 . . 3.370 2.538 2.469 2.668 . 0 0 "[ . 1 . ]" 1
704 1 96 TYR HB2 1 97 THR H . . 4.010 2.556 2.434 2.700 . 0 0 "[ . 1 . ]" 1
705 1 96 TYR HB2 1 102 HIS HD2 . . 3.900 4.034 3.982 4.103 0.203 14 0 "[ . 1 . ]" 1
706 1 96 TYR HB3 1 97 THR H . . 3.710 3.755 3.690 3.840 0.130 7 0 "[ . 1 . ]" 1
707 1 96 TYR HB3 1 102 HIS HD2 . . 3.900 2.566 2.492 2.709 . 0 0 "[ . 1 . ]" 1
708 1 97 THR HB 1 98 ARG H . . 4.400 3.969 3.547 4.159 . 0 0 "[ . 1 . ]" 1
709 1 97 THR HB 1 99 ASP H . . 4.560 4.108 2.693 4.564 0.004 14 0 "[ . 1 . ]" 1
710 1 97 THR H 1 97 THR MG . . 3.350 2.495 2.139 3.841 0.491 6 0 "[ . 1 . ]" 1
711 1 97 THR MG 1 98 ARG H . . 5.070 3.723 2.423 4.145 . 0 0 "[ . 1 . ]" 1
712 1 97 THR MG 1 99 ASP H . . 4.260 2.819 2.344 3.372 . 0 0 "[ . 1 . ]" 1
713 1 97 THR MG 1 99 ASP HA . . 4.850 4.598 4.126 4.909 0.059 4 0 "[ . 1 . ]" 1
714 1 97 THR MG 1 100 LEU H . . 3.510 2.627 2.306 3.770 0.260 12 0 "[ . 1 . ]" 1
715 1 97 THR MG 1 100 LEU QB . . 4.650 3.308 2.628 4.076 . 0 0 "[ . 1 . ]" 1
716 1 97 THR MG 1 100 LEU HB2 . . 4.530 3.377 2.655 4.183 . 0 0 "[ . 1 . ]" 1
717 1 97 THR MG 1 100 LEU HG . . 5.040 4.028 3.382 4.445 . 0 0 "[ . 1 . ]" 1
718 1 97 THR MG 1 138 PHE QD . . 3.840 3.459 3.054 3.741 . 0 0 "[ . 1 . ]" 1
719 1 97 THR MG 1 178 TRP H . . 4.430 4.382 4.159 4.638 0.208 9 0 "[ . 1 . ]" 1
720 1 97 THR MG 1 178 TRP QB . . 4.180 2.389 2.268 2.780 . 0 0 "[ . 1 . ]" 1
721 1 97 THR MG 1 178 TRP HD1 . . 4.850 3.062 2.827 3.337 . 0 0 "[ . 1 . ]" 1
722 1 97 THR MG 1 178 TRP HE1 . . 4.910 4.840 4.553 5.008 0.098 14 0 "[ . 1 . ]" 1
723 1 97 THR MG 1 188 PHE QE . . 4.910 3.513 2.923 4.254 . 0 0 "[ . 1 . ]" 1
724 1 98 ARG H 1 98 ARG QG . . 3.280 2.371 2.252 2.542 . 0 0 "[ . 1 . ]" 1
725 1 98 ARG H 1 98 ARG HG2 . . 3.810 3.089 2.359 3.711 . 0 0 "[ . 1 . ]" 1
726 1 98 ARG H 1 98 ARG HG3 . . 3.810 2.698 2.319 3.700 . 0 0 "[ . 1 . ]" 1
727 1 98 ARG H 1 99 ASP H . . 3.330 2.862 2.558 3.019 . 0 0 "[ . 1 . ]" 1
728 1 98 ARG H 1 99 ASP QB . . 4.640 4.918 4.318 5.206 0.566 2 2 "[ + . 1 - ]" 1
729 1 98 ARG H 1 100 LEU H . . 4.510 4.602 4.217 4.908 0.398 15 0 "[ . 1 . ]" 1
730 1 98 ARG HA 1 98 ARG QG . . 3.510 3.084 2.306 3.601 0.091 13 0 "[ . 1 . ]" 1
731 1 98 ARG HA 1 100 LEU H . . 4.100 4.013 3.681 4.303 0.203 15 0 "[ . 1 . ]" 1
732 1 98 ARG QG 1 99 ASP H . . 4.480 3.195 2.318 4.550 0.070 9 0 "[ . 1 . ]" 1
733 1 98 ARG HG2 1 99 ASP H . . 5.160 4.318 2.621 5.345 0.185 6 0 "[ . 1 . ]" 1
734 1 98 ARG HG3 1 99 ASP H . . 5.160 3.402 2.348 4.965 . 0 0 "[ . 1 . ]" 1
735 1 99 ASP H 1 100 LEU H . . 2.730 2.916 2.602 3.161 0.431 10 0 "[ . 1 . ]" 1
736 1 99 ASP QB 1 100 LEU H . . 3.750 2.917 2.626 3.224 . 0 0 "[ . 1 . ]" 1
737 1 99 ASP QB 1 178 TRP H . . 4.090 3.604 3.263 3.828 . 0 0 "[ . 1 . ]" 1
738 1 100 LEU H 1 100 LEU HB2 . . 3.280 2.732 2.428 3.140 . 0 0 "[ . 1 . ]" 1
739 1 100 LEU QB 1 104 THR MG . . 4.780 2.513 2.148 2.936 . 0 0 "[ . 1 . ]" 1
740 1 100 LEU HB2 1 104 THR MG . . 4.790 3.739 3.053 4.421 . 0 0 "[ . 1 . ]" 1
741 1 100 LEU HB3 1 104 THR HB . . 4.120 2.571 2.410 2.760 . 0 0 "[ . 1 . ]" 1
742 1 100 LEU HB3 1 104 THR MG . . 3.800 2.555 2.194 2.980 . 0 0 "[ . 1 . ]" 1
743 1 101 PRO HB2 1 104 THR H . . 3.890 3.619 3.545 3.665 . 0 0 "[ . 1 . ]" 1
744 1 101 PRO QD 1 104 THR H . . 4.420 3.985 3.924 4.013 . 0 0 "[ . 1 . ]" 1
745 1 101 PRO QD 1 104 THR HB . . 4.350 2.423 2.380 2.491 . 0 0 "[ . 1 . ]" 1
746 1 101 PRO HG2 1 104 THR H . . 3.380 2.429 2.380 2.470 . 0 0 "[ . 1 . ]" 1
747 1 102 HIS HA 1 102 HIS HD2 . . 3.450 2.461 2.357 2.542 . 0 0 "[ . 1 . ]" 1
748 1 102 HIS HA 1 105 VAL H . . 4.000 3.564 3.457 3.668 . 0 0 "[ . 1 . ]" 1
749 1 102 HIS HA 1 105 VAL HB . . 4.210 3.125 2.788 3.318 . 0 0 "[ . 1 . ]" 1
750 1 102 HIS QB 1 103 ILE H . . 3.680 2.477 2.409 2.526 . 0 0 "[ . 1 . ]" 1
751 1 102 HIS QB 1 103 ILE MG . . 4.380 4.276 4.130 4.373 . 0 0 "[ . 1 . ]" 1
752 1 102 HIS HB2 1 103 ILE H . . 4.430 3.658 3.553 3.811 . 0 0 "[ . 1 . ]" 1
753 1 102 HIS HB3 1 103 ILE H . . 4.430 2.520 2.446 2.574 . 0 0 "[ . 1 . ]" 1
754 1 102 HIS HD2 1 105 VAL HB . . 3.870 3.169 2.994 3.359 . 0 0 "[ . 1 . ]" 1
755 1 102 HIS HD2 1 106 ASP QB . . 4.760 3.845 3.371 4.457 . 0 0 "[ . 1 . ]" 1
756 1 103 ILE H 1 103 ILE HB . . 3.280 2.532 2.463 2.632 . 0 0 "[ . 1 . ]" 1
757 1 103 ILE H 1 103 ILE MD . . 4.460 4.360 4.128 4.545 0.085 16 0 "[ . 1 . ]" 1
758 1 103 ILE H 1 103 ILE QG . . 4.680 4.108 4.019 4.196 . 0 0 "[ . 1 . ]" 1
759 1 103 ILE H 1 103 ILE HG12 . . 5.450 4.692 4.641 4.782 . 0 0 "[ . 1 . ]" 1
760 1 103 ILE H 1 103 ILE HG13 . . 5.450 4.540 4.403 4.674 . 0 0 "[ . 1 . ]" 1
761 1 103 ILE H 1 103 ILE MG . . 3.320 2.303 2.235 2.342 . 0 0 "[ . 1 . ]" 1
762 1 103 ILE H 1 104 THR H . . 3.000 2.971 2.891 3.073 0.073 4 0 "[ . 1 . ]" 1
763 1 103 ILE H 1 104 THR HB . . 4.470 5.230 5.109 5.353 0.883 2 16 [*+*********-****] 1
764 1 103 ILE H 1 105 VAL H . . 3.990 4.716 4.574 4.855 0.865 1 16 [+************-**] 1
765 1 103 ILE HA 1 103 ILE MD . . 4.220 3.143 2.217 3.870 . 0 0 "[ . 1 . ]" 1
766 1 103 ILE HA 1 103 ILE MG . . 3.650 3.324 3.304 3.341 . 0 0 "[ . 1 . ]" 1
767 1 103 ILE HA 1 106 ASP H . . 3.680 3.586 3.479 3.710 0.030 7 0 "[ . 1 . ]" 1
768 1 103 ILE HA 1 106 ASP QB . . 3.850 2.702 2.528 2.920 . 0 0 "[ . 1 . ]" 1
769 1 103 ILE HB 1 103 ILE MD . . 3.270 2.461 2.402 2.515 . 0 0 "[ . 1 . ]" 1
770 1 103 ILE HB 1 104 THR H . . 4.280 4.066 4.030 4.132 . 0 0 "[ . 1 . ]" 1
771 1 103 ILE MD 1 104 THR H . . 4.600 4.727 4.524 4.850 0.250 16 0 "[ . 1 . ]" 1
772 1 103 ILE MD 1 104 THR HA . . 5.310 4.740 4.285 4.951 . 0 0 "[ . 1 . ]" 1
773 1 103 ILE QG 1 104 THR H . . 4.620 3.847 3.633 3.997 . 0 0 "[ . 1 . ]" 1
774 1 103 ILE QG 1 103 ILE MG . . 3.120 2.271 2.108 2.418 . 0 0 "[ . 1 . ]" 1
775 1 103 ILE MG 1 104 THR H . . 3.280 2.236 2.209 2.266 . 0 0 "[ . 1 . ]" 1
776 1 103 ILE MG 1 104 THR HA . . 4.940 3.220 3.109 3.456 . 0 0 "[ . 1 . ]" 1
777 1 103 ILE MG 1 104 THR HB . . 5.190 3.760 3.704 3.865 . 0 0 "[ . 1 . ]" 1
778 1 104 THR H 1 104 THR HB . . 3.460 2.423 2.389 2.463 . 0 0 "[ . 1 . ]" 1
779 1 104 THR H 1 104 THR MG . . 4.250 3.794 3.769 3.811 . 0 0 "[ . 1 . ]" 1
780 1 104 THR H 1 105 VAL H . . 2.660 2.740 2.678 2.809 0.149 9 0 "[ . 1 . ]" 1
781 1 104 THR H 1 106 ASP H . . 4.110 4.079 3.984 4.195 0.085 12 0 "[ . 1 . ]" 1
782 1 104 THR HA 1 104 THR MG . . 3.680 2.497 2.447 2.543 . 0 0 "[ . 1 . ]" 1
783 1 104 THR HA 1 107 ARG H . . 4.110 3.487 3.195 3.692 . 0 0 "[ . 1 . ]" 1
784 1 104 THR HA 1 107 ARG QG . . 3.790 2.378 2.301 2.483 . 0 0 "[ . 1 . ]" 1
785 1 104 THR HB 1 105 VAL H . . 4.010 2.696 2.499 2.852 . 0 0 "[ . 1 . ]" 1
786 1 104 THR MG 1 105 VAL H . . 4.890 3.300 3.017 3.460 . 0 0 "[ . 1 . ]" 1
787 1 104 THR MG 1 105 VAL HA . . 4.830 3.452 3.281 3.548 . 0 0 "[ . 1 . ]" 1
788 1 104 THR MG 1 108 LEU HG . . 4.150 4.213 4.109 4.417 0.267 14 0 "[ . 1 . ]" 1
789 1 104 THR MG 1 180 ASP QB . . 3.690 3.220 2.946 3.381 . 0 0 "[ . 1 . ]" 1
790 1 104 THR MG 1 180 ASP HB2 . . 4.340 3.693 3.414 4.057 . 0 0 "[ . 1 . ]" 1
791 1 104 THR MG 1 180 ASP HB3 . . 4.340 3.682 3.111 4.570 0.230 10 0 "[ . 1 . ]" 1
792 1 104 THR MG 1 188 PHE QD . . 4.710 5.247 4.899 5.612 0.902 11 7 "[- * .* 1+***. ]" 1
793 1 105 VAL H 1 105 VAL HB . . 3.900 2.615 2.530 2.684 . 0 0 "[ . 1 . ]" 1
794 1 105 VAL H 1 106 ASP H . . 2.800 2.864 2.734 3.039 0.239 16 0 "[ . 1 . ]" 1
795 1 105 VAL H 1 106 ASP QB . . 4.350 4.676 4.519 4.861 0.511 16 1 "[ . 1 .+]" 1
796 1 105 VAL H 1 107 ARG H . . 4.360 4.671 4.490 4.898 0.538 5 2 "[ + - . ]" 1
797 1 105 VAL HA 1 188 PHE QE . . 4.210 4.449 3.808 4.690 0.480 6 0 "[ . 1 . ]" 1
798 1 105 VAL HB 1 106 ASP H . . 3.570 2.582 2.510 2.706 . 0 0 "[ . 1 . ]" 1
799 1 106 ASP H 1 106 ASP QB . . 3.240 2.293 2.278 2.319 . 0 0 "[ . 1 . ]" 1
800 1 106 ASP H 1 106 ASP HB2 . . 3.830 2.473 2.419 2.619 . 0 0 "[ . 1 . ]" 1
801 1 106 ASP H 1 106 ASP HB3 . . 3.830 2.728 2.570 2.806 . 0 0 "[ . 1 . ]" 1
802 1 106 ASP H 1 107 ARG H . . 3.040 3.042 2.860 3.208 0.168 12 0 "[ . 1 . ]" 1
803 1 106 ASP H 1 107 ARG QG . . 4.570 4.702 4.484 4.968 0.398 16 0 "[ . 1 . ]" 1
804 1 106 ASP QB 1 107 ARG H . . 3.570 2.516 2.417 2.657 . 0 0 "[ . 1 . ]" 1
805 1 106 ASP HB2 1 107 ARG H . . 4.130 3.889 3.825 3.981 . 0 0 "[ . 1 . ]" 1
806 1 106 ASP HB3 1 107 ARG H . . 4.130 2.549 2.444 2.702 . 0 0 "[ . 1 . ]" 1
807 1 107 ARG H 1 107 ARG QB . . 3.330 2.458 2.374 2.498 . 0 0 "[ . 1 . ]" 1
808 1 107 ARG H 1 107 ARG HB2 . . 3.790 3.685 3.658 3.701 . 0 0 "[ . 1 . ]" 1
809 1 107 ARG H 1 107 ARG HB3 . . 3.790 2.496 2.405 2.540 . 0 0 "[ . 1 . ]" 1
810 1 107 ARG H 1 107 ARG QG . . 3.620 2.477 2.344 2.828 . 0 0 "[ . 1 . ]" 1
811 1 107 ARG H 1 108 LEU H . . 2.750 2.831 2.749 2.902 0.152 5 0 "[ . 1 . ]" 1
812 1 107 ARG H 1 110 SER H . . 5.500 4.978 4.840 5.085 . 0 0 "[ . 1 . ]" 1
813 1 107 ARG HA 1 107 ARG QG . . 3.740 3.404 3.332 3.516 . 0 0 "[ . 1 . ]" 1
814 1 107 ARG HA 1 110 SER H . . 4.260 3.259 3.130 3.467 . 0 0 "[ . 1 . ]" 1
815 1 107 ARG QB 1 108 LEU H . . 3.490 3.741 3.642 3.839 0.349 2 0 "[ . 1 . ]" 1
816 1 107 ARG HB2 1 108 LEU H . . 4.070 4.237 4.072 4.398 0.328 16 0 "[ . 1 . ]" 1
817 1 107 ARG HB3 1 108 LEU H . . 4.070 4.167 4.105 4.237 0.167 4 0 "[ . 1 . ]" 1
818 1 107 ARG QD 1 108 LEU H . . 5.340 3.977 3.385 4.625 . 0 0 "[ . 1 . ]" 1
819 1 107 ARG HE 1 111 LYS QD . . 3.750 3.404 3.114 3.778 0.028 7 0 "[ . 1 . ]" 1
820 1 107 ARG HE 1 111 LYS HD2 . . 4.290 3.690 3.262 4.131 . 0 0 "[ . 1 . ]" 1
821 1 107 ARG HE 1 111 LYS HD3 . . 4.290 4.032 3.756 4.375 0.085 7 0 "[ . 1 . ]" 1
822 1 108 LEU H 1 108 LEU QB . . 3.310 2.411 2.277 2.593 . 0 0 "[ . 1 . ]" 1
823 1 108 LEU H 1 108 LEU HB2 . . 4.100 2.445 2.303 2.645 . 0 0 "[ . 1 . ]" 1
824 1 108 LEU H 1 108 LEU HB3 . . 4.100 3.658 3.580 3.731 . 0 0 "[ . 1 . ]" 1
825 1 108 LEU H 1 108 LEU HG . . 4.420 4.292 4.253 4.334 . 0 0 "[ . 1 . ]" 1
826 1 108 LEU H 1 110 SER H . . 4.120 4.336 4.295 4.376 0.256 7 0 "[ . 1 . ]" 1
827 1 108 LEU H 1 188 PHE QD . . 4.520 5.359 5.146 5.634 1.114 10 16 [*********+*****-] 1
828 1 108 LEU HA 1 111 LYS H . . 4.990 3.242 3.154 3.354 . 0 0 "[ . 1 . ]" 1
829 1 108 LEU HA 1 111 LYS QB . . 3.810 2.375 2.306 2.423 . 0 0 "[ . 1 . ]" 1
830 1 108 LEU QB 1 109 VAL H . . 3.390 2.745 2.609 2.962 . 0 0 "[ . 1 . ]" 1
831 1 108 LEU QB 1 188 PHE QD . . 4.850 2.415 2.262 2.623 . 0 0 "[ . 1 . ]" 1
832 1 108 LEU HB2 1 109 VAL H . . 3.390 2.848 2.696 3.099 . 0 0 "[ . 1 . ]" 1
833 1 108 LEU HB3 1 109 VAL H . . 3.390 3.611 3.462 3.765 0.375 11 0 "[ . 1 . ]" 1
834 1 109 VAL H 1 109 VAL HB . . 3.390 3.761 3.730 3.780 0.390 4 0 "[ . 1 . ]" 1
835 1 109 VAL H 1 110 SER H . . 2.720 2.689 2.598 2.768 0.048 16 0 "[ . 1 . ]" 1
836 1 109 VAL H 1 110 SER QB . . 4.770 4.503 4.415 4.577 . 0 0 "[ . 1 . ]" 1
837 1 109 VAL H 1 188 PHE QE . . 4.440 4.608 4.007 4.799 0.359 4 0 "[ . 1 . ]" 1
838 1 109 VAL HA 1 111 LYS H . . 4.660 4.333 4.144 4.642 . 0 0 "[ . 1 . ]" 1
839 1 109 VAL HA 1 112 ALA H . . 4.290 3.482 3.316 3.628 . 0 0 "[ . 1 . ]" 1
840 1 109 VAL HA 1 112 ALA MB . . 4.340 3.190 2.782 3.482 . 0 0 "[ . 1 . ]" 1
841 1 109 VAL HA 1 192 ALA HA . . 4.430 5.009 4.839 5.187 0.757 14 13 "[* *-*** *****+.*]" 1
842 1 109 VAL HB 1 110 SER H . . 3.730 4.133 4.074 4.201 0.471 14 0 "[ . 1 . ]" 1
843 1 110 SER H 1 110 SER QB . . 2.930 2.306 2.290 2.326 . 0 0 "[ . 1 . ]" 1
844 1 110 SER H 1 110 SER HB3 . . 3.020 2.614 2.549 2.673 . 0 0 "[ . 1 . ]" 1
845 1 110 SER H 1 111 LYS H . . 2.920 2.702 2.648 2.743 . 0 0 "[ . 1 . ]" 1
846 1 110 SER H 1 111 LYS QB . . 4.330 4.399 4.332 4.449 0.119 5 0 "[ . 1 . ]" 1
847 1 110 SER H 1 112 ALA H . . 4.140 4.334 4.143 4.557 0.417 15 0 "[ . 1 . ]" 1
848 1 110 SER QB 1 111 LYS H . . 3.160 2.643 2.475 2.780 . 0 0 "[ . 1 . ]" 1
849 1 110 SER HB3 1 111 LYS H . . 3.160 2.685 2.505 2.831 . 0 0 "[ . 1 . ]" 1
850 1 111 LYS H 1 111 LYS QB . . 2.930 2.185 2.164 2.203 . 0 0 "[ . 1 . ]" 1
851 1 111 LYS H 1 111 LYS QD . . 4.270 4.270 4.225 4.334 0.064 9 0 "[ . 1 . ]" 1
852 1 111 LYS H 1 111 LYS HD2 . . 4.920 4.951 4.825 5.087 0.167 9 0 "[ . 1 . ]" 1
853 1 111 LYS H 1 111 LYS HD3 . . 4.920 4.665 4.600 4.733 . 0 0 "[ . 1 . ]" 1
854 1 111 LYS H 1 111 LYS QG . . 3.860 4.026 4.014 4.033 0.173 16 0 "[ . 1 . ]" 1
855 1 111 LYS H 1 111 LYS HG2 . . 4.490 4.552 4.508 4.578 0.088 16 0 "[ . 1 . ]" 1
856 1 111 LYS H 1 111 LYS HG3 . . 4.490 4.489 4.476 4.513 0.023 4 0 "[ . 1 . ]" 1
857 1 111 LYS H 1 112 ALA H . . 2.940 2.759 2.666 2.852 . 0 0 "[ . 1 . ]" 1
858 1 111 LYS H 1 112 ALA MB . . 4.310 4.546 4.420 4.701 0.391 15 0 "[ . 1 . ]" 1
859 1 111 LYS HA 1 111 LYS QE . . 5.070 4.852 4.808 4.888 . 0 0 "[ . 1 . ]" 1
860 1 111 LYS HA 1 113 LEU H . . 4.980 5.198 4.941 5.388 0.408 1 0 "[ . 1 . ]" 1
861 1 111 LYS HA 1 114 ASN H . . 4.260 4.053 3.811 4.371 0.111 14 0 "[ . 1 . ]" 1
862 1 111 LYS QB 1 112 ALA H . . 3.530 2.900 2.749 3.037 . 0 0 "[ . 1 . ]" 1
863 1 111 LYS QG 1 112 ALA H . . 4.400 4.053 3.910 4.181 . 0 0 "[ . 1 . ]" 1
864 1 112 ALA H 1 112 ALA MB . . 3.100 2.294 2.230 2.390 . 0 0 "[ . 1 . ]" 1
865 1 112 ALA H 1 113 LEU H . . 3.040 2.560 2.463 2.652 . 0 0 "[ . 1 . ]" 1
866 1 112 ALA HA 1 115 MET H . . 3.870 3.419 3.267 3.604 . 0 0 "[ . 1 . ]" 1
867 1 112 ALA HA 1 115 MET QB . . 4.300 2.789 2.437 3.385 . 0 0 "[ . 1 . ]" 1
868 1 112 ALA HA 1 115 MET ME . . 4.580 3.285 2.263 4.621 0.041 10 0 "[ . 1 . ]" 1
869 1 112 ALA HA 1 193 THR HA . . 4.580 4.441 4.210 4.686 0.106 15 0 "[ . 1 . ]" 1
870 1 112 ALA HA 1 193 THR MG . . 4.430 3.434 2.683 4.279 . 0 0 "[ . 1 . ]" 1
871 1 112 ALA MB 1 113 LEU H . . 3.560 2.358 2.255 2.500 . 0 0 "[ . 1 . ]" 1
872 1 112 ALA MB 1 115 MET H . . 4.940 4.543 4.405 4.633 . 0 0 "[ . 1 . ]" 1
873 1 112 ALA MB 1 192 ALA MB . . 3.490 2.035 1.963 2.117 . 0 0 "[ . 1 . ]" 1
874 1 112 ALA MB 1 193 THR H . . 4.370 2.606 2.313 2.808 . 0 0 "[ . 1 . ]" 1
875 1 112 ALA MB 1 193 THR HA . . 4.190 2.324 2.215 2.600 . 0 0 "[ . 1 . ]" 1
876 1 113 LEU H 1 113 LEU QB . . 3.270 2.248 2.189 2.300 . 0 0 "[ . 1 . ]" 1
877 1 113 LEU H 1 114 ASN H . . 2.810 3.065 2.969 3.250 0.440 1 0 "[ . 1 . ]" 1
878 1 113 LEU H 1 114 ASN QB . . 4.280 4.817 4.616 4.962 0.682 1 12 "[+****** *-* *.*]" 1
879 1 113 LEU H 1 115 MET QB . . 5.200 5.169 4.894 5.650 0.450 6 0 "[ . 1 . ]" 1
880 1 113 LEU HA 1 116 TRP H . . 4.180 3.559 3.333 3.802 . 0 0 "[ . 1 . ]" 1
881 1 113 LEU HA 1 116 TRP HD1 . . 4.150 2.696 2.375 2.985 . 0 0 "[ . 1 . ]" 1
882 1 113 LEU QB 1 114 ASN H . . 3.350 2.364 2.251 2.534 . 0 0 "[ . 1 . ]" 1
883 1 113 LEU QB 1 124 PHE QD . . 4.740 4.531 4.208 5.057 0.317 15 0 "[ . 1 . ]" 1
884 1 113 LEU HG 1 124 PHE QD . . 3.820 2.842 2.379 3.768 . 0 0 "[ . 1 . ]" 1
885 1 114 ASN H 1 114 ASN QB . . 3.110 2.299 2.247 2.326 . 0 0 "[ . 1 . ]" 1
886 1 114 ASN H 1 115 MET H . . 2.980 2.857 2.702 3.003 0.023 3 0 "[ . 1 . ]" 1
887 1 114 ASN H 1 115 MET QB . . 4.220 4.733 4.518 5.003 0.783 3 7 "[ *+ .* * ** -. ]" 1
888 1 114 ASN H 1 116 TRP H . . 4.000 4.508 4.258 4.832 0.832 8 9 "[* - * *+*** *. ]" 1
889 1 114 ASN HA 1 117 GLY H . . 4.120 3.102 2.922 3.301 . 0 0 "[ . 1 . ]" 1
890 1 114 ASN HA 1 118 LYS H . . 4.160 4.081 3.526 4.394 0.234 9 0 "[ . 1 . ]" 1
891 1 114 ASN QB 1 115 MET H . . 4.070 2.615 2.472 2.789 . 0 0 "[ . 1 . ]" 1
892 1 115 MET H 1 115 MET QB . . 3.790 2.311 2.172 2.569 . 0 0 "[ . 1 . ]" 1
893 1 115 MET H 1 116 TRP H . . 2.870 2.980 2.813 3.157 0.287 8 0 "[ . 1 . ]" 1
894 1 115 MET H 1 117 GLY H . . 4.540 4.270 4.008 4.525 . 0 0 "[ . 1 . ]" 1
895 1 115 MET QB 1 115 MET ME . . 4.210 2.706 2.115 3.646 . 0 0 "[ . 1 . ]" 1
896 1 115 MET QB 1 116 TRP H . . 3.710 2.737 2.558 2.943 . 0 0 "[ . 1 . ]" 1
897 1 115 MET ME 1 193 THR MG . . 4.840 3.570 2.326 5.075 0.235 8 0 "[ . 1 . ]" 1
898 1 115 MET ME 1 224 PHE QB . . 4.840 4.744 4.291 5.144 0.304 6 0 "[ . 1 . ]" 1
899 1 115 MET ME 1 224 PHE QE . . 4.130 2.693 2.295 3.602 . 0 0 "[ . 1 . ]" 1
900 1 115 MET ME 1 226 LEU H . . 4.670 3.476 2.645 4.111 . 0 0 "[ . 1 . ]" 1
901 1 115 MET ME 1 226 LEU HA . . 4.700 4.778 3.624 5.523 0.823 11 5 "[ * . * *+ .-]" 1
902 1 115 MET ME 1 226 LEU QB . . 4.870 4.814 4.115 5.481 0.611 3 2 "[ + . 1 - . ]" 1
903 1 116 TRP H 1 116 TRP HB2 . . 3.080 2.556 2.480 2.688 . 0 0 "[ . 1 . ]" 1
904 1 116 TRP H 1 116 TRP HB3 . . 4.140 3.687 3.650 3.721 . 0 0 "[ . 1 . ]" 1
905 1 116 TRP H 1 116 TRP HD1 . . 3.820 3.145 2.840 3.309 . 0 0 "[ . 1 . ]" 1
906 1 116 TRP H 1 117 GLY H . . 2.720 2.905 2.721 3.047 0.327 15 0 "[ . 1 . ]" 1
907 1 116 TRP H 1 118 LYS H . . 4.070 4.478 4.218 5.011 0.941 13 5 "[ .* - * + .*]" 1
908 1 116 TRP H 1 193 THR MG . . 4.850 3.903 3.397 4.173 . 0 0 "[ . 1 . ]" 1
909 1 116 TRP HA 1 116 TRP HE3 . . 3.910 2.709 2.436 2.988 . 0 0 "[ . 1 . ]" 1
910 1 116 TRP HB2 1 117 GLY H . . 3.490 2.649 2.466 3.398 . 0 0 "[ . 1 . ]" 1
911 1 116 TRP HB3 1 116 TRP HE1 . . 5.270 5.153 5.136 5.192 . 0 0 "[ . 1 . ]" 1
912 1 116 TRP HB3 1 117 GLY H . . 3.890 3.436 3.205 4.126 0.236 13 0 "[ . 1 . ]" 1
913 1 116 TRP HB3 1 234 ILE MD . . 4.850 4.108 3.607 4.598 . 0 0 "[ . 1 . ]" 1
914 1 116 TRP HD1 1 196 LEU QB . . 4.120 2.989 2.726 3.170 . 0 0 "[ . 1 . ]" 1
915 1 116 TRP HE1 1 193 THR HA . . 4.040 2.701 2.352 3.293 . 0 0 "[ . 1 . ]" 1
916 1 116 TRP HE1 1 193 THR MG . . 3.980 2.533 2.303 3.198 . 0 0 "[ . 1 . ]" 1
917 1 116 TRP HE1 1 194 HIS HA . . 4.820 4.208 3.884 4.651 . 0 0 "[ . 1 . ]" 1
918 1 116 TRP HE1 1 196 LEU H . . 4.600 4.703 4.337 4.958 0.358 1 0 "[ . 1 . ]" 1
919 1 116 TRP HE1 1 196 LEU QB . . 4.400 3.574 3.204 3.871 . 0 0 "[ . 1 . ]" 1
920 1 116 TRP HE1 1 197 GLY H . . 3.400 2.621 2.483 2.736 . 0 0 "[ . 1 . ]" 1
921 1 116 TRP HE1 1 197 GLY QA . . 4.480 2.604 2.374 3.003 . 0 0 "[ . 1 . ]" 1
922 1 116 TRP HE1 1 198 HIS H . . 4.940 5.166 4.990 5.379 0.439 4 0 "[ . 1 . ]" 1
923 1 116 TRP HE1 1 202 MET QB . . 5.260 5.400 5.058 5.806 0.546 13 2 "[ - . 1 + . ]" 1
924 1 116 TRP HE3 1 120 ILE MD . . 5.580 3.684 3.148 4.361 . 0 0 "[ . 1 . ]" 1
925 1 116 TRP HE3 1 202 MET ME . . 4.770 4.675 3.969 5.335 0.565 9 1 "[ . +1 . ]" 1
926 1 116 TRP HE3 1 234 ILE MD . . 4.980 3.034 2.447 3.908 . 0 0 "[ . 1 . ]" 1
927 1 116 TRP HE3 1 234 ILE MG . . 4.000 3.366 2.880 4.176 0.176 3 0 "[ . 1 . ]" 1
928 1 116 TRP HH2 1 202 MET QB . . 3.750 3.378 2.865 4.001 0.251 15 0 "[ . 1 . ]" 1
929 1 116 TRP HH2 1 202 MET HB2 . . 4.480 3.979 3.476 4.525 0.045 3 0 "[ . 1 . ]" 1
930 1 116 TRP HH2 1 202 MET HB3 . . 4.480 3.765 2.970 4.775 0.295 15 0 "[ . 1 . ]" 1
931 1 116 TRP HH2 1 202 MET ME . . 3.690 3.097 2.402 3.995 0.305 10 0 "[ . 1 . ]" 1
932 1 116 TRP HZ2 1 193 THR MG . . 4.110 3.453 2.585 4.772 0.662 9 1 "[ . +1 . ]" 1
933 1 116 TRP HZ2 1 197 GLY H . . 4.600 4.145 3.696 4.476 . 0 0 "[ . 1 . ]" 1
934 1 116 TRP HZ2 1 197 GLY QA . . 3.800 2.595 2.485 2.669 . 0 0 "[ . 1 . ]" 1
935 1 116 TRP HZ2 1 197 GLY HA2 . . 4.460 3.566 3.238 4.014 . 0 0 "[ . 1 . ]" 1
936 1 116 TRP HZ2 1 197 GLY HA3 . . 4.460 2.669 2.558 2.750 . 0 0 "[ . 1 . ]" 1
937 1 116 TRP HZ3 1 202 MET ME . . 4.010 2.907 2.383 3.694 . 0 0 "[ . 1 . ]" 1
938 1 116 TRP HZ3 1 234 ILE MD . . 4.600 3.444 2.540 4.656 0.056 15 0 "[ . 1 . ]" 1
939 1 117 GLY H 1 118 LYS H . . 3.120 2.909 2.580 3.041 . 0 0 "[ . 1 . ]" 1
940 1 117 GLY QA 1 120 ILE H . . 4.260 3.948 3.711 4.155 . 0 0 "[ . 1 . ]" 1
941 1 117 GLY QA 1 120 ILE MD . . 4.920 2.548 2.324 2.848 . 0 0 "[ . 1 . ]" 1
942 1 117 GLY QA 1 120 ILE QG . . 4.020 2.450 2.276 2.658 . 0 0 "[ . 1 . ]" 1
943 1 117 GLY QA 1 120 ILE HG12 . . 4.650 2.735 2.546 3.040 . 0 0 "[ . 1 . ]" 1
944 1 117 GLY QA 1 120 ILE HG13 . . 4.650 2.779 2.564 2.960 . 0 0 "[ . 1 . ]" 1
945 1 117 GLY QA 1 120 ILE MG . . 4.180 4.601 4.410 4.866 0.686 10 4 "[ * . + - .*]" 1
946 1 117 GLY QA 1 122 LEU H . . 4.820 4.908 4.533 5.150 0.330 6 0 "[ . 1 . ]" 1
947 1 117 GLY QA 1 119 GLU H . . 4.220 3.780 3.455 3.967 . 0 0 "[ . 1 . ]" 1
948 1 117 GLY QA 1 124 PHE QE . . 4.290 2.506 2.293 2.746 . 0 0 "[ . 1 . ]" 1
949 1 118 LYS H 1 118 LYS QB . . 3.150 2.472 2.391 2.580 . 0 0 "[ . 1 . ]" 1
950 1 118 LYS H 1 118 LYS HB2 . . 3.600 2.809 2.425 3.712 0.112 10 0 "[ . 1 . ]" 1
951 1 118 LYS H 1 118 LYS HB3 . . 3.600 3.370 2.469 3.697 0.097 3 0 "[ . 1 . ]" 1
952 1 118 LYS H 1 118 LYS QE . . 3.940 3.956 3.333 4.505 0.565 11 4 "[* - * 1+ . ]" 1
953 1 118 LYS H 1 118 LYS HE2 . . 4.530 4.639 3.802 5.402 0.872 11 5 "[* * * -1+ . ]" 1
954 1 118 LYS H 1 118 LYS HE3 . . 4.530 4.324 3.512 4.870 0.340 5 0 "[ . 1 . ]" 1
955 1 118 LYS H 1 118 LYS QG . . 3.510 2.396 2.330 2.541 . 0 0 "[ . 1 . ]" 1
956 1 118 LYS H 1 118 LYS HG2 . . 4.010 2.719 2.351 3.666 . 0 0 "[ . 1 . ]" 1
957 1 118 LYS H 1 118 LYS HG3 . . 4.010 3.342 2.430 3.857 . 0 0 "[ . 1 . ]" 1
958 1 118 LYS H 1 119 GLU H . . 3.310 2.845 2.699 2.974 . 0 0 "[ . 1 . ]" 1
959 1 118 LYS H 1 120 ILE H . . 4.590 4.601 4.408 4.693 0.103 15 0 "[ . 1 . ]" 1
960 1 118 LYS HA 1 118 LYS QE . . 4.380 3.426 2.174 4.631 0.251 12 0 "[ . 1 . ]" 1
961 1 118 LYS HA 1 118 LYS HE2 . . 5.100 4.115 2.345 5.386 0.286 8 0 "[ . 1 . ]" 1
962 1 118 LYS HA 1 118 LYS HE3 . . 5.100 3.800 2.412 5.164 0.064 6 0 "[ . 1 . ]" 1
963 1 118 LYS QB 1 118 LYS QE . . 1.800 2.287 2.203 2.445 0.645 4 4 "[ +. * -1 *. ]" 1
964 1 119 GLU H 1 119 GLU QB . . 3.660 2.410 2.249 2.685 . 0 0 "[ . 1 . ]" 1
965 1 119 GLU H 1 120 ILE H . . 2.830 2.913 2.641 3.080 0.250 13 0 "[ . 1 . ]" 1
966 1 119 GLU H 1 120 ILE MD . . 4.500 4.511 4.082 4.995 0.495 13 0 "[ . 1 . ]" 1
967 1 119 GLU H 1 120 ILE QG . . 3.740 3.164 2.698 3.633 . 0 0 "[ . 1 . ]" 1
968 1 119 GLU H 1 120 ILE MG . . 4.830 4.236 3.657 4.614 . 0 0 "[ . 1 . ]" 1
969 1 119 GLU H 1 231 ILE MG . . 4.870 5.495 5.396 5.581 0.711 11 16 [*******-**+*****] 1
970 1 119 GLU QB 1 120 ILE H . . 4.190 3.892 3.668 4.119 . 0 0 "[ . 1 . ]" 1
971 1 119 GLU QB 1 120 ILE MG . . 4.230 3.139 2.656 3.982 . 0 0 "[ . 1 . ]" 1
972 1 119 GLU HB2 1 120 ILE H . . 4.850 4.250 3.861 4.736 . 0 0 "[ . 1 . ]" 1
973 1 119 GLU HB3 1 120 ILE H . . 4.850 4.556 4.363 4.746 . 0 0 "[ . 1 . ]" 1
974 1 120 ILE H 1 120 ILE MD . . 4.030 4.084 3.975 4.152 0.122 14 0 "[ . 1 . ]" 1
975 1 120 ILE H 1 120 ILE QG . . 3.130 2.342 2.235 2.422 . 0 0 "[ . 1 . ]" 1
976 1 120 ILE H 1 120 ILE MG . . 3.700 3.495 3.396 3.651 . 0 0 "[ . 1 . ]" 1
977 1 120 ILE H 1 121 PRO HD2 . . 4.890 4.903 4.880 4.940 0.050 3 0 "[ . 1 . ]" 1
978 1 120 ILE H 1 121 PRO HD3 . . 5.060 4.929 4.830 5.026 . 0 0 "[ . 1 . ]" 1
979 1 120 ILE H 1 122 LEU H . . 4.310 4.502 4.220 4.854 0.544 4 1 "[ +. 1 . ]" 1
980 1 120 ILE HA 1 121 PRO HD3 . . 3.880 2.498 2.414 2.582 . 0 0 "[ . 1 . ]" 1
981 1 120 ILE HB 1 121 PRO HD2 . . 3.640 2.314 2.265 2.362 . 0 0 "[ . 1 . ]" 1
982 1 120 ILE HB 1 121 PRO HD3 . . 3.810 3.747 3.695 3.781 . 0 0 "[ . 1 . ]" 1
983 1 120 ILE HB 1 121 PRO QG . . 4.200 3.714 3.585 3.911 . 0 0 "[ . 1 . ]" 1
984 1 120 ILE HB 1 122 LEU H . . 3.920 2.535 2.433 2.705 . 0 0 "[ . 1 . ]" 1
985 1 120 ILE HB 1 238 TYR QB . . 4.130 3.790 3.575 4.012 . 0 0 "[ . 1 . ]" 1
986 1 120 ILE MD 1 121 PRO HD2 . . 4.470 4.404 4.337 4.525 0.055 8 0 "[ . 1 . ]" 1
987 1 120 ILE MD 1 122 LEU H . . 3.680 3.469 3.286 3.635 . 0 0 "[ . 1 . ]" 1
988 1 120 ILE MD 1 122 LEU QB . . 4.550 2.652 2.322 3.022 . 0 0 "[ . 1 . ]" 1
989 1 120 ILE MD 1 124 PHE QE . . 3.680 3.136 2.421 3.554 . 0 0 "[ . 1 . ]" 1
990 1 120 ILE MD 1 202 MET ME . . 5.430 5.652 4.995 6.132 0.702 9 1 "[ . +1 . ]" 1
991 1 120 ILE MD 1 234 ILE MD . . 3.780 2.316 2.096 2.653 . 0 0 "[ . 1 . ]" 1
992 1 120 ILE MD 1 234 ILE QG . . 4.370 3.530 3.156 3.787 . 0 0 "[ . 1 . ]" 1
993 1 120 ILE MD 1 234 ILE HG12 . . 4.270 3.686 3.246 3.967 . 0 0 "[ . 1 . ]" 1
994 1 120 ILE MD 1 234 ILE HG13 . . 5.250 4.523 4.236 4.795 . 0 0 "[ . 1 . ]" 1
995 1 120 ILE MD 1 234 ILE MG . . 5.640 3.618 3.192 4.023 . 0 0 "[ . 1 . ]" 1
996 1 120 ILE MD 1 238 TYR QB . . 4.650 4.785 4.629 4.946 0.296 4 0 "[ . 1 . ]" 1
997 1 120 ILE MD 1 238 TYR QD . . 4.670 4.285 4.015 4.782 0.112 4 0 "[ . 1 . ]" 1
998 1 120 ILE MD 1 238 TYR QE . . 4.660 3.669 3.212 4.470 . 0 0 "[ . 1 . ]" 1
999 1 120 ILE QG 1 122 LEU H . . 4.120 2.598 2.488 2.902 . 0 0 "[ . 1 . ]" 1
1000 1 120 ILE MD 1 120 ILE MG . . 3.460 2.089 2.055 2.133 . 0 0 "[ . 1 . ]" 1
1001 1 120 ILE MG 1 121 PRO HD2 . . 4.410 2.974 2.820 3.149 . 0 0 "[ . 1 . ]" 1
1002 1 120 ILE MG 1 121 PRO HD3 . . 4.570 3.859 3.692 3.987 . 0 0 "[ . 1 . ]" 1
1003 1 120 ILE MG 1 122 LEU H . . 4.250 4.188 4.098 4.322 0.072 14 0 "[ . 1 . ]" 1
1004 1 120 ILE MG 1 122 LEU QB . . 5.060 4.592 4.169 4.854 . 0 0 "[ . 1 . ]" 1
1005 1 120 ILE MG 1 234 ILE MD . . 4.860 2.295 2.111 2.772 . 0 0 "[ . 1 . ]" 1
1006 1 120 ILE MG 1 234 ILE HG12 . . 4.520 2.201 2.054 2.396 . 0 0 "[ . 1 . ]" 1
1007 1 120 ILE MG 1 234 ILE MG . . 3.820 2.175 1.951 2.452 . 0 0 "[ . 1 . ]" 1
1008 1 120 ILE MG 1 235 GLN QG . . 5.250 3.902 3.013 5.053 . 0 0 "[ . 1 . ]" 1
1009 1 120 ILE MG 1 238 TYR H . . 4.930 4.618 4.193 4.989 0.059 2 0 "[ . 1 . ]" 1
1010 1 120 ILE MG 1 238 TYR QB . . 3.720 2.979 2.452 3.529 . 0 0 "[ . 1 . ]" 1
1011 1 120 ILE MG 1 238 TYR HB2 . . 4.260 3.100 2.562 3.646 . 0 0 "[ . 1 . ]" 1
1012 1 120 ILE MG 1 238 TYR HB3 . . 4.260 3.860 3.130 4.705 0.445 4 0 "[ . 1 . ]" 1
1013 1 120 ILE MG 1 238 TYR QD . . 4.330 3.282 2.649 3.885 . 0 0 "[ . 1 . ]" 1
1014 1 121 PRO QB 1 122 LEU H . . 4.120 3.901 3.679 4.073 . 0 0 "[ . 1 . ]" 1
1015 1 121 PRO HD2 1 122 LEU H . . 4.370 3.300 2.983 3.554 . 0 0 "[ . 1 . ]" 1
1016 1 121 PRO HD2 1 238 TYR QB . . 4.100 2.575 2.363 2.921 . 0 0 "[ . 1 . ]" 1
1017 1 122 LEU H 1 122 LEU QB . . 3.400 2.443 2.304 2.518 . 0 0 "[ . 1 . ]" 1
1018 1 122 LEU H 1 122 LEU HB2 . . 3.680 2.481 2.329 2.564 . 0 0 "[ . 1 . ]" 1
1019 1 122 LEU H 1 122 LEU HB3 . . 3.680 3.667 3.630 3.711 0.031 6 0 "[ . 1 . ]" 1
1020 1 122 LEU H 1 122 LEU HG . . 3.950 2.611 2.396 2.928 . 0 0 "[ . 1 . ]" 1
1021 1 122 LEU H 1 123 HIS H . . 4.590 4.702 4.659 4.729 0.139 2 0 "[ . 1 . ]" 1
1022 1 122 LEU HA 1 123 HIS H . . 3.360 2.439 2.406 2.477 . 0 0 "[ . 1 . ]" 1
1023 1 122 LEU QB 1 123 HIS H . . 3.680 2.362 2.266 2.506 . 0 0 "[ . 1 . ]" 1
1024 1 122 LEU QB 1 238 TYR QE . . 4.220 4.613 4.436 4.795 0.575 16 2 "[- . 1 .+]" 1
1025 1 122 LEU HB2 1 123 HIS H . . 4.430 3.710 3.538 3.886 . 0 0 "[ . 1 . ]" 1
1026 1 122 LEU HB3 1 123 HIS H . . 4.430 2.390 2.293 2.539 . 0 0 "[ . 1 . ]" 1
1027 1 122 LEU HG 1 123 HIS H . . 4.460 4.729 4.380 4.928 0.468 11 0 "[ . 1 . ]" 1
1028 1 123 HIS H 1 123 HIS QB . . 3.320 2.367 2.325 2.426 . 0 0 "[ . 1 . ]" 1
1029 1 123 HIS H 1 123 HIS HB2 . . 3.920 2.815 2.734 2.906 . 0 0 "[ . 1 . ]" 1
1030 1 123 HIS H 1 123 HIS HB3 . . 3.920 2.550 2.472 2.669 . 0 0 "[ . 1 . ]" 1
1031 1 123 HIS HA 1 124 PHE H . . 3.350 2.416 2.369 2.491 . 0 0 "[ . 1 . ]" 1
1032 1 123 HIS QB 1 124 PHE H . . 3.980 3.908 3.463 4.129 0.149 14 0 "[ . 1 . ]" 1
1033 1 124 PHE H 1 124 PHE QB . . 3.080 2.570 2.460 2.729 . 0 0 "[ . 1 . ]" 1
1034 1 124 PHE H 1 124 PHE HB2 . . 3.560 2.616 2.497 2.786 . 0 0 "[ . 1 . ]" 1
1035 1 124 PHE H 1 124 PHE HB3 . . 3.560 3.777 3.702 3.906 0.346 9 0 "[ . 1 . ]" 1
1036 1 124 PHE H 1 124 PHE QD . . 3.610 3.358 3.084 3.795 0.185 9 0 "[ . 1 . ]" 1
1037 1 124 PHE HA 1 124 PHE QD . . 3.960 2.471 2.278 3.056 . 0 0 "[ . 1 . ]" 1
1038 1 124 PHE HA 1 125 ARG H . . 3.550 2.381 2.347 2.425 . 0 0 "[ . 1 . ]" 1
1039 1 124 PHE QB 1 125 ARG H . . 3.670 2.751 2.643 2.916 . 0 0 "[ . 1 . ]" 1
1040 1 124 PHE QD 1 125 ARG H . . 3.980 4.183 3.398 4.510 0.530 11 1 "[ . 1+ . ]" 1
1041 1 125 ARG H 1 125 ARG QB . . 3.220 2.469 2.259 2.553 . 0 0 "[ . 1 . ]" 1
1042 1 125 ARG H 1 125 ARG HB2 . . 3.840 3.262 2.558 3.515 . 0 0 "[ . 1 . ]" 1
1043 1 125 ARG H 1 125 ARG HB3 . . 3.840 2.581 2.440 2.766 . 0 0 "[ . 1 . ]" 1
1044 1 125 ARG QB 1 125 ARG QD . . 1.800 2.251 2.156 2.333 0.533 6 3 "[ * -.+ 1 . ]" 1
1045 1 125 ARG QB 1 126 LYS H . . 3.610 3.617 3.353 3.727 0.117 4 0 "[ . 1 . ]" 1
1046 1 125 ARG HB2 1 126 LYS H . . 4.180 4.008 3.842 4.277 0.097 12 0 "[ . 1 . ]" 1
1047 1 125 ARG HB3 1 126 LYS H . . 4.180 4.178 3.504 4.355 0.175 1 0 "[ . 1 . ]" 1
1048 1 125 ARG HE 1 126 LYS H . . 3.860 3.719 2.988 4.305 0.445 16 0 "[ . 1 . ]" 1
1049 1 125 ARG QG 1 126 LYS H . . 3.640 2.352 2.272 2.418 . 0 0 "[ . 1 . ]" 1
1050 1 125 ARG HG2 1 126 LYS H . . 4.290 3.547 2.578 4.024 . 0 0 "[ . 1 . ]" 1
1051 1 125 ARG HG3 1 126 LYS H . . 3.130 2.430 2.319 2.862 . 0 0 "[ . 1 . ]" 1
1052 1 126 LYS H 1 126 LYS HB2 . . 3.130 2.911 2.472 3.510 0.380 2 0 "[ . 1 . ]" 1
1053 1 126 LYS H 1 126 LYS HB3 . . 3.130 2.415 2.208 2.632 . 0 0 "[ . 1 . ]" 1
1054 1 126 LYS HA 1 127 VAL H . . 3.360 2.380 2.294 2.481 . 0 0 "[ . 1 . ]" 1
1055 1 126 LYS QD 1 127 VAL H . . 3.960 2.283 2.213 2.320 . 0 0 "[ . 1 . ]" 1
1056 1 126 LYS QD 1 127 VAL HB . . 4.630 4.813 4.600 5.042 0.412 15 0 "[ . 1 . ]" 1
1057 1 126 LYS HD2 1 127 VAL H . . 4.610 3.212 2.436 3.968 . 0 0 "[ . 1 . ]" 1
1058 1 126 LYS HD2 1 127 VAL HB . . 5.460 5.665 5.173 6.244 0.784 7 7 "[ - **+ 1 ** * ]" 1
1059 1 126 LYS HD3 1 127 VAL H . . 4.610 2.423 2.301 2.715 . 0 0 "[ . 1 . ]" 1
1060 1 126 LYS HD3 1 127 VAL HB . . 5.460 5.253 5.014 5.557 0.097 3 0 "[ . 1 . ]" 1
1061 1 126 LYS QG 1 127 VAL H . . 4.080 3.093 2.420 3.836 . 0 0 "[ . 1 . ]" 1
1062 1 126 LYS HG2 1 127 VAL H . . 4.680 3.605 2.444 4.889 0.209 2 0 "[ . 1 . ]" 1
1063 1 126 LYS HG3 1 127 VAL H . . 4.680 3.956 3.568 4.583 . 0 0 "[ . 1 . ]" 1
1064 1 127 VAL H 1 127 VAL HB . . 3.580 3.723 3.695 3.752 0.172 1 0 "[ . 1 . ]" 1
1065 1 127 VAL H 1 128 VAL H . . 4.680 4.607 4.503 4.696 0.016 4 0 "[ . 1 . ]" 1
1066 1 127 VAL HA 1 129 TRP HD1 . . 4.710 5.481 5.181 5.827 1.117 9 15 [*******-+1******] 1
1067 1 127 VAL HB 1 128 VAL H . . 4.620 2.969 2.449 3.546 . 0 0 "[ . 1 . ]" 1
1068 1 128 VAL H 1 128 VAL HB . . 3.990 3.767 3.624 3.883 . 0 0 "[ . 1 . ]" 1
1069 1 128 VAL H 1 129 TRP H . . 3.160 2.236 2.158 2.302 . 0 0 "[ . 1 . ]" 1
1070 1 128 VAL H 1 129 TRP QB . . 4.730 4.926 4.794 5.069 0.339 9 0 "[ . 1 . ]" 1
1071 1 128 VAL H 1 129 TRP HB2 . . 5.500 5.440 5.312 5.644 0.144 9 0 "[ . 1 . ]" 1
1072 1 128 VAL H 1 129 TRP HB3 . . 5.500 5.636 5.408 5.813 0.313 13 0 "[ . 1 . ]" 1
1073 1 128 VAL HB 1 129 TRP H . . 4.320 3.649 2.914 4.389 0.069 8 0 "[ . 1 . ]" 1
1074 1 128 VAL HB 1 129 TRP HD1 . . 4.550 4.895 4.724 5.053 0.503 11 1 "[ . 1+ . ]" 1
1075 1 129 TRP H 1 129 TRP QB . . 3.350 3.306 3.057 3.564 0.214 8 0 "[ . 1 . ]" 1
1076 1 129 TRP H 1 129 TRP HB2 . . 3.920 3.607 3.259 3.946 0.026 8 0 "[ . 1 . ]" 1
1077 1 129 TRP H 1 129 TRP HB3 . . 3.920 3.848 3.645 4.076 0.156 1 0 "[ . 1 . ]" 1
1078 1 129 TRP H 1 129 TRP HD1 . . 4.830 3.022 2.676 3.385 . 0 0 "[ . 1 . ]" 1
1079 1 129 TRP QB 1 129 TRP HD1 . . 3.390 2.754 2.663 2.853 . 0 0 "[ . 1 . ]" 1
1080 1 129 TRP QB 1 129 TRP HE3 . . 3.630 2.528 2.453 2.615 . 0 0 "[ . 1 . ]" 1
1081 1 129 TRP QB 1 130 GLY H . . 3.580 3.706 3.587 3.837 0.257 6 0 "[ . 1 . ]" 1
1082 1 129 TRP HB2 1 129 TRP HE3 . . 4.190 4.102 3.994 4.198 0.008 2 0 "[ . 1 . ]" 1
1083 1 129 TRP HB2 1 130 GLY H . . 4.200 4.073 3.955 4.240 0.040 6 0 "[ . 1 . ]" 1
1084 1 129 TRP HB3 1 129 TRP HE3 . . 4.190 2.552 2.475 2.641 . 0 0 "[ . 1 . ]" 1
1085 1 129 TRP HB3 1 130 GLY H . . 4.200 4.264 4.109 4.390 0.190 9 0 "[ . 1 . ]" 1
1086 1 131 THR H 1 131 THR HB . . 3.890 2.995 2.512 3.625 . 0 0 "[ . 1 . ]" 1
1087 1 131 THR HA 1 132 ALA H . . 3.050 2.587 2.455 2.818 . 0 0 "[ . 1 . ]" 1
1088 1 131 THR HA 1 135 MET ME . . 3.960 3.715 3.513 4.000 0.040 12 0 "[ . 1 . ]" 1
1089 1 131 THR HB 1 132 ALA H . . 4.000 3.042 2.357 3.757 . 0 0 "[ . 1 . ]" 1
1090 1 131 THR MG 1 132 ALA H . . 3.960 2.583 2.222 3.702 . 0 0 "[ . 1 . ]" 1
1091 1 131 THR MG 1 135 MET ME . . 3.900 2.776 2.276 3.482 . 0 0 "[ . 1 . ]" 1
1092 1 132 ALA H 1 132 ALA MB . . 3.480 2.412 2.310 2.558 . 0 0 "[ . 1 . ]" 1
1093 1 132 ALA H 1 135 MET ME . . 3.580 3.084 2.231 3.427 . 0 0 "[ . 1 . ]" 1
1094 1 132 ALA MB 1 133 ASP H . . 3.520 2.361 2.289 2.403 . 0 0 "[ . 1 . ]" 1
1095 1 132 ALA MB 1 134 ILE H . . 3.610 3.048 2.858 3.197 . 0 0 "[ . 1 . ]" 1
1096 1 133 ASP H 1 133 ASP QB . . 3.540 2.535 2.441 2.658 . 0 0 "[ . 1 . ]" 1
1097 1 133 ASP H 1 134 ILE H . . 2.970 2.582 2.410 2.709 . 0 0 "[ . 1 . ]" 1
1098 1 133 ASP QB 1 134 ILE H . . 3.630 2.477 2.382 2.604 . 0 0 "[ . 1 . ]" 1
1099 1 133 ASP QB 1 134 ILE MD . . 4.960 3.061 2.028 4.342 . 0 0 "[ . 1 . ]" 1
1100 1 134 ILE H 1 134 ILE HB . . 3.560 2.650 2.440 2.823 . 0 0 "[ . 1 . ]" 1
1101 1 134 ILE H 1 134 ILE MD . . 3.790 3.233 2.269 3.913 0.123 4 0 "[ . 1 . ]" 1
1102 1 134 ILE H 1 134 ILE HG12 . . 4.470 3.203 2.335 4.237 . 0 0 "[ . 1 . ]" 1
1103 1 134 ILE H 1 135 MET H . . 4.590 4.370 3.888 4.622 0.032 12 0 "[ . 1 . ]" 1
1104 1 134 ILE H 1 135 MET HA . . 5.500 5.001 4.631 5.160 . 0 0 "[ . 1 . ]" 1
1105 1 134 ILE H 1 136 ILE MD . . 4.840 5.011 4.738 5.278 0.438 6 0 "[ . 1 . ]" 1
1106 1 134 ILE HA 1 134 ILE MD . . 4.440 3.146 2.298 3.964 . 0 0 "[ . 1 . ]" 1
1107 1 134 ILE HA 1 135 MET H . . 3.420 2.375 2.290 2.434 . 0 0 "[ . 1 . ]" 1
1108 1 134 ILE HB 1 136 ILE MD . . 3.930 2.987 2.636 3.356 . 0 0 "[ . 1 . ]" 1
1109 1 134 ILE MD 1 135 MET H . . 5.030 4.857 4.204 5.565 0.535 2 1 "[ + . 1 . ]" 1
1110 1 134 ILE MD 1 170 ALA H . . 6.000 5.476 5.096 6.127 0.127 8 0 "[ . 1 . ]" 1
1111 1 134 ILE MG 1 135 MET H . . 3.920 2.986 2.424 3.788 . 0 0 "[ . 1 . ]" 1
1112 1 134 ILE MG 1 169 ASP H . . 5.250 4.541 4.203 5.062 . 0 0 "[ . 1 . ]" 1
1113 1 135 MET H 1 135 MET QB . . 3.080 2.489 2.336 2.588 . 0 0 "[ . 1 . ]" 1
1114 1 135 MET H 1 135 MET HB2 . . 3.520 2.532 2.366 2.644 . 0 0 "[ . 1 . ]" 1
1115 1 135 MET H 1 135 MET HB3 . . 4.100 3.676 3.606 3.741 . 0 0 "[ . 1 . ]" 1
1116 1 135 MET H 1 135 MET ME . . 5.090 4.566 3.971 4.854 . 0 0 "[ . 1 . ]" 1
1117 1 135 MET H 1 135 MET QG . . 3.610 2.553 2.330 2.836 . 0 0 "[ . 1 . ]" 1
1118 1 135 MET H 1 136 ILE H . . 4.580 4.587 4.340 4.741 0.161 14 0 "[ . 1 . ]" 1
1119 1 135 MET H 1 136 ILE MD . . 4.230 3.998 3.456 4.331 0.101 8 0 "[ . 1 . ]" 1
1120 1 135 MET H 1 170 ALA H . . 3.880 3.392 2.994 4.077 0.197 9 0 "[ . 1 . ]" 1
1121 1 135 MET HA 1 136 ILE H . . 3.330 2.376 2.329 2.447 . 0 0 "[ . 1 . ]" 1
1122 1 135 MET QB 1 135 MET ME . . 3.320 2.504 2.280 3.382 0.062 11 0 "[ . 1 . ]" 1
1123 1 135 MET HB2 1 136 ILE H . . 4.380 4.218 3.967 4.495 0.115 13 0 "[ . 1 . ]" 1
1124 1 135 MET HB3 1 136 ILE H . . 4.380 3.330 2.941 3.716 . 0 0 "[ . 1 . ]" 1
1125 1 136 ILE H 1 136 ILE HB . . 3.170 2.824 2.731 3.058 . 0 0 "[ . 1 . ]" 1
1126 1 136 ILE H 1 136 ILE MD . . 3.560 3.313 3.085 3.500 . 0 0 "[ . 1 . ]" 1
1127 1 136 ILE H 1 136 ILE QG . . 3.310 2.432 2.345 2.483 . 0 0 "[ . 1 . ]" 1
1128 1 136 ILE H 1 136 ILE MG . . 4.520 3.972 3.940 4.012 . 0 0 "[ . 1 . ]" 1
1129 1 136 ILE H 1 137 GLY H . . 4.310 4.319 4.169 4.520 0.210 16 0 "[ . 1 . ]" 1
1130 1 136 ILE HA 1 136 ILE MD . . 4.280 2.403 2.340 2.575 . 0 0 "[ . 1 . ]" 1
1131 1 136 ILE HA 1 137 GLY H . . 3.460 2.390 2.357 2.431 . 0 0 "[ . 1 . ]" 1
1132 1 136 ILE HA 1 170 ALA H . . 3.890 3.250 2.957 3.389 . 0 0 "[ . 1 . ]" 1
1133 1 136 ILE HB 1 136 ILE MD . . 3.260 3.284 3.261 3.311 0.051 9 0 "[ . 1 . ]" 1
1134 1 136 ILE HB 1 137 GLY H . . 4.470 4.298 3.998 4.435 . 0 0 "[ . 1 . ]" 1
1135 1 136 ILE MD 1 137 GLY H . . 4.290 4.473 4.391 4.651 0.361 14 0 "[ . 1 . ]" 1
1136 1 136 ILE MD 1 170 ALA H . . 4.020 2.989 2.647 3.483 . 0 0 "[ . 1 . ]" 1
1137 1 136 ILE MD 1 172 PHE QE . . 4.650 3.669 3.449 3.945 . 0 0 "[ . 1 . ]" 1
1138 1 136 ILE MG 1 137 GLY H . . 3.630 3.043 2.437 3.348 . 0 0 "[ . 1 . ]" 1
1139 1 136 ILE MG 1 170 ALA H . . 4.480 4.525 4.244 4.770 0.290 11 0 "[ . 1 . ]" 1
1140 1 136 ILE MG 1 172 PHE QE . . 3.260 2.242 2.184 2.307 . 0 0 "[ . 1 . ]" 1
1141 1 136 ILE MG 1 192 ALA HA . . 5.980 5.386 5.208 5.690 . 0 0 "[ . 1 . ]" 1
1142 1 137 GLY H 1 138 PHE H . . 4.540 4.515 4.482 4.573 0.033 5 0 "[ . 1 . ]" 1
1143 1 137 GLY H 1 170 ALA H . . 4.440 4.522 4.306 4.751 0.311 16 0 "[ . 1 . ]" 1
1144 1 137 GLY H 1 171 HIS HA . . 3.800 2.508 2.297 2.697 . 0 0 "[ . 1 . ]" 1
1145 1 137 GLY H 1 171 HIS HD2 . . 3.920 2.652 2.429 2.997 . 0 0 "[ . 1 . ]" 1
1146 1 137 GLY H 1 172 PHE QD . . 3.910 3.466 2.980 3.832 . 0 0 "[ . 1 . ]" 1
1147 1 138 PHE H 1 138 PHE QB . . 3.290 2.509 2.432 2.619 . 0 0 "[ . 1 . ]" 1
1148 1 138 PHE H 1 138 PHE HB2 . . 3.940 2.554 2.477 2.671 . 0 0 "[ . 1 . ]" 1
1149 1 138 PHE H 1 138 PHE HB3 . . 3.940 3.681 3.423 3.790 . 0 0 "[ . 1 . ]" 1
1150 1 138 PHE H 1 138 PHE QD . . 3.440 2.945 2.527 3.925 0.485 12 0 "[ . 1 . ]" 1
1151 1 138 PHE H 1 139 ALA H . . 4.690 4.382 4.180 4.510 . 0 0 "[ . 1 . ]" 1
1152 1 138 PHE HA 1 172 PHE H . . 4.190 2.791 2.592 3.020 . 0 0 "[ . 1 . ]" 1
1153 1 138 PHE QB 1 139 ALA H . . 4.210 3.417 2.883 3.813 . 0 0 "[ . 1 . ]" 1
1154 1 138 PHE HB2 1 139 ALA H . . 5.000 4.447 3.997 4.785 . 0 0 "[ . 1 . ]" 1
1155 1 138 PHE HB3 1 139 ALA H . . 5.000 3.553 2.953 4.006 . 0 0 "[ . 1 . ]" 1
1156 1 138 PHE QD 1 139 ALA H . . 4.200 4.293 3.068 4.618 0.418 16 0 "[ . 1 . ]" 1
1157 1 138 PHE QD 1 172 PHE QB . . 4.350 2.783 2.309 3.251 . 0 0 "[ . 1 . ]" 1
1158 1 138 PHE QD 1 178 TRP HE1 . . 4.360 3.783 3.243 4.679 0.319 10 0 "[ . 1 . ]" 1
1159 1 138 PHE QD 1 188 PHE QE . . 4.160 4.374 4.132 4.538 0.378 15 0 "[ . 1 . ]" 1
1160 1 139 ALA H 1 172 PHE H . . 3.760 3.320 3.075 4.138 0.378 9 0 "[ . 1 . ]" 1
1161 1 139 ALA H 1 173 ASP HA . . 4.360 3.925 3.640 4.398 0.038 10 0 "[ . 1 . ]" 1
1162 1 139 ALA H 1 174 GLU H . . 2.930 2.768 2.517 3.086 0.156 10 0 "[ . 1 . ]" 1
1163 1 139 ALA H 1 174 GLU QB . . 3.860 2.947 2.429 3.144 . 0 0 "[ . 1 . ]" 1
1164 1 139 ALA H 1 174 GLU HB2 . . 4.450 3.869 2.454 4.960 0.510 10 1 "[ . + . ]" 1
1165 1 139 ALA H 1 174 GLU HB3 . . 4.450 3.705 2.915 4.508 0.058 3 0 "[ . 1 . ]" 1
1166 1 139 ALA H 1 174 GLU QG . . 3.480 4.145 3.676 4.647 1.167 11 9 "[****. *1+* -* ]" 1
1167 1 139 ALA HA 1 140 ARG QG . . 4.140 4.063 3.642 5.099 0.959 16 2 "[ . 1- .+]" 1
1168 1 139 ALA MB 1 140 ARG H . . 3.430 2.416 2.345 2.541 . 0 0 "[ . 1 . ]" 1
1169 1 139 ALA MB 1 143 HIS H . . 4.410 3.934 3.569 4.260 . 0 0 "[ . 1 . ]" 1
1170 1 139 ALA MB 1 143 HIS QB . . 4.280 2.279 2.025 3.436 . 0 0 "[ . 1 . ]" 1
1171 1 139 ALA MB 1 143 HIS HB2 . . 4.840 3.043 2.376 4.808 . 0 0 "[ . 1 . ]" 1
1172 1 139 ALA MB 1 143 HIS HB3 . . 4.840 2.385 2.081 3.521 . 0 0 "[ . 1 . ]" 1
1173 1 139 ALA MB 1 143 HIS HD2 . . 4.880 3.007 2.532 5.191 0.311 9 0 "[ . 1 . ]" 1
1174 1 139 ALA MB 1 174 GLU H . . 5.230 4.686 4.476 5.058 . 0 0 "[ . 1 . ]" 1
1175 1 140 ARG H 1 140 ARG QB . . 3.340 2.432 2.318 2.799 . 0 0 "[ . 1 . ]" 1
1176 1 140 ARG H 1 140 ARG QG . . 3.770 3.223 2.581 3.870 0.100 16 0 "[ . 1 . ]" 1
1177 1 140 ARG H 1 174 GLU H . . 5.500 4.949 4.646 5.275 . 0 0 "[ . 1 . ]" 1
1178 1 140 ARG HA 1 143 HIS HD2 . . 5.500 4.814 3.604 5.506 0.006 14 0 "[ . 1 . ]" 1
1179 1 140 ARG QB 1 141 GLY H . . 3.690 2.486 2.253 2.883 . 0 0 "[ . 1 . ]" 1
1180 1 140 ARG HB2 1 141 GLY H . . 4.250 3.813 3.391 4.176 . 0 0 "[ . 1 . ]" 1
1181 1 140 ARG HB3 1 141 GLY H . . 4.250 2.521 2.279 2.938 . 0 0 "[ . 1 . ]" 1
1182 1 140 ARG QG 1 149 PHE QB . . 2.990 3.022 2.298 3.993 1.003 14 4 "[ * -. 1 * +. ]" 1
1183 1 140 ARG HG2 1 149 PHE QB . . 3.560 3.083 2.397 4.110 0.550 14 1 "[ . 1 +. ]" 1
1184 1 141 GLY H 1 149 PHE H . . 3.730 3.400 2.384 3.846 0.116 4 0 "[ . 1 . ]" 1
1185 1 141 GLY H 1 149 PHE QB . . 4.220 2.373 2.200 2.700 . 0 0 "[ . 1 . ]" 1
1186 1 141 GLY H 1 150 ASP H . . 5.010 5.127 4.615 5.550 0.540 5 3 "[* + - 1 . ]" 1
1187 1 142 ALA MB 1 143 HIS H . . 4.310 3.436 2.896 3.809 . 0 0 "[ . 1 . ]" 1
1188 1 142 ALA MB 1 145 ASP H . . 5.380 5.575 5.371 5.797 0.417 7 0 "[ . 1 . ]" 1
1189 1 143 HIS H 1 143 HIS HD1 . . 4.970 4.699 4.267 5.158 0.188 11 0 "[ . 1 . ]" 1
1190 1 143 HIS H 1 145 ASP H . . 4.110 4.534 3.656 5.160 1.050 10 6 "[ * -. * +* *. ]" 1
1191 1 143 HIS HE1 1 160 PHE QE . . 4.450 4.740 4.458 5.086 0.636 11 1 "[ . 1+ . ]" 1
1192 1 146 SER QB 1 147 TYR QD . . 4.500 3.540 2.518 4.254 . 0 0 "[ . 1 . ]" 1
1193 1 147 TYR H 1 147 TYR QB . . 3.390 3.375 3.142 3.566 0.176 6 0 "[ . 1 . ]" 1
1194 1 147 TYR H 1 147 TYR HB2 . . 3.990 3.601 3.270 3.892 . 0 0 "[ . 1 . ]" 1
1195 1 147 TYR H 1 147 TYR HB3 . . 3.990 4.115 4.040 4.227 0.237 13 0 "[ . 1 . ]" 1
1196 1 147 TYR H 1 147 TYR QD . . 3.760 3.286 2.485 3.975 0.215 1 0 "[ . 1 . ]" 1
1197 1 147 TYR H 1 148 PRO QD . . 3.750 3.503 3.015 4.009 0.259 2 0 "[ . 1 . ]" 1
1198 1 147 TYR H 1 148 PRO HD2 . . 4.320 4.374 3.930 4.701 0.381 16 0 "[ . 1 . ]" 1
1199 1 147 TYR H 1 148 PRO HD3 . . 4.320 3.699 3.132 4.355 0.035 2 0 "[ . 1 . ]" 1
1200 1 147 TYR HA 1 147 TYR QE . . 4.410 4.421 4.204 4.590 0.180 7 0 "[ . 1 . ]" 1
1201 1 147 TYR HA 1 148 PRO QD . . 3.500 2.143 2.112 2.179 . 0 0 "[ . 1 . ]" 1
1202 1 148 PRO QB 1 149 PHE H . . 3.860 2.770 2.561 2.987 . 0 0 "[ . 1 . ]" 1
1203 1 149 PHE H 1 150 ASP H . . 3.990 2.568 2.261 3.043 . 0 0 "[ . 1 . ]" 1
1204 1 149 PHE QB 1 150 ASP H . . 3.860 3.191 2.547 3.680 . 0 0 "[ . 1 . ]" 1
1205 1 149 PHE QB 1 151 GLY H . . 4.780 2.587 2.408 2.830 . 0 0 "[ . 1 . ]" 1
1206 1 150 ASP H 1 151 GLY H . . 2.860 2.978 2.450 3.657 0.797 6 1 "[ .+ 1 . ]" 1
1207 1 150 ASP QB 1 155 THR MG . . 4.250 4.058 3.069 4.780 0.530 16 1 "[ . 1 .+]" 1
1208 1 152 PRO HA 1 153 GLY H . . 3.470 2.573 2.440 2.706 . 0 0 "[ . 1 . ]" 1
1209 1 153 GLY H 1 154 ASN H . . 4.370 4.666 4.605 4.710 0.340 5 0 "[ . 1 . ]" 1
1210 1 153 GLY QA 1 154 ASN H . . 3.050 2.290 2.271 2.341 . 0 0 "[ . 1 . ]" 1
1211 1 154 ASN QB 1 155 THR H . . 3.500 2.937 2.423 3.673 0.173 4 0 "[ . 1 . ]" 1
1212 1 154 ASN HB2 1 155 THR H . . 3.690 3.057 2.454 4.058 0.368 4 0 "[ . 1 . ]" 1
1213 1 154 ASN HB3 1 155 THR H . . 4.080 4.066 3.756 4.361 0.281 8 0 "[ . 1 . ]" 1
1214 1 22 PHE QE 1 155 THR H . . 4.320 3.707 2.844 4.319 . 0 0 "[ . 1 . ]" 1
1215 1 22 PHE HZ 1 155 THR H . . 4.770 3.253 2.434 4.969 0.199 10 0 "[ . 1 . ]" 1
1216 1 155 THR H 1 155 THR MG . . 4.040 4.055 3.976 4.119 0.079 7 0 "[ . 1 . ]" 1
1217 1 155 THR H 1 156 LEU H . . 4.390 3.688 3.134 4.289 . 0 0 "[ . 1 . ]" 1
1218 1 155 THR HA 1 156 LEU HB2 . . 4.380 4.643 4.292 4.909 0.529 7 3 "[ - . + 1 * . ]" 1
1219 1 155 THR HA 1 156 LEU HB3 . . 4.920 4.477 4.154 4.923 0.003 13 0 "[ . 1 . ]" 1
1220 1 155 THR HA 1 157 ALA H . . 4.010 4.435 4.185 4.661 0.651 9 5 "[ *.* +1* - ]" 1
1221 1 155 THR HB 1 156 LEU H . . 4.380 4.215 3.669 4.601 0.221 7 0 "[ . 1 . ]" 1
1222 1 155 THR MG 1 156 LEU H . . 4.630 3.025 2.360 3.609 . 0 0 "[ . 1 . ]" 1
1223 1 155 THR MG 1 157 ALA H . . 4.640 3.922 3.626 4.587 . 0 0 "[ . 1 . ]" 1
1224 1 155 THR MG 1 158 HIS HA . . 4.620 4.745 4.573 5.158 0.538 11 1 "[ . 1+ . ]" 1
1225 1 156 LEU H 1 156 LEU HB2 . . 4.070 3.050 2.505 3.521 . 0 0 "[ . 1 . ]" 1
1226 1 156 LEU H 1 156 LEU HB3 . . 3.940 2.482 2.309 2.848 . 0 0 "[ . 1 . ]" 1
1227 1 156 LEU H 1 157 ALA H . . 2.780 2.472 2.274 2.740 . 0 0 "[ . 1 . ]" 1
1228 1 156 LEU QB 1 157 ALA H . . 4.360 2.612 2.433 2.729 . 0 0 "[ . 1 . ]" 1
1229 1 156 LEU QB 1 178 TRP HH2 . . 4.390 4.508 4.053 4.697 0.307 3 0 "[ . 1 . ]" 1
1230 1 156 LEU HB2 1 157 ALA H . . 4.100 4.038 3.684 4.143 0.043 8 0 "[ . 1 . ]" 1
1231 1 156 LEU HB2 1 186 ILE MG . . 6.000 4.910 4.754 5.097 . 0 0 "[ . 1 . ]" 1
1232 1 156 LEU HB3 1 157 ALA H . . 3.620 2.645 2.468 2.768 . 0 0 "[ . 1 . ]" 1
1233 1 156 LEU HB3 1 178 TRP HH2 . . 4.580 4.911 4.239 5.140 0.560 3 3 "[ + .- *1 . ]" 1
1234 1 156 LEU HB3 1 186 ILE MG . . 5.670 5.163 4.974 5.334 . 0 0 "[ . 1 . ]" 1
1235 1 156 LEU HG 1 157 ALA MB . . 5.330 2.749 2.523 3.139 . 0 0 "[ . 1 . ]" 1
1236 1 156 LEU HG 1 178 TRP HZ2 . . 4.630 4.381 4.167 4.600 . 0 0 "[ . 1 . ]" 1
1237 1 156 LEU HG 1 178 TRP HZ3 . . 4.180 4.048 3.474 4.456 0.276 9 0 "[ . 1 . ]" 1
1238 1 156 LEU HG 1 186 ILE MD . . 4.470 5.151 4.867 5.516 1.046 6 13 "[*****+ **-* ***]" 1
1239 1 156 LEU HG 1 186 ILE QG . . 3.680 4.531 4.178 4.741 1.061 7 15 "[******+***** **-]" 1
1240 1 156 LEU HG 1 186 ILE MG . . 4.640 3.667 3.127 3.836 . 0 0 "[ . 1 . ]" 1
1241 1 157 ALA H 1 158 HIS H . . 4.530 4.226 3.911 4.377 . 0 0 "[ . 1 . ]" 1
1242 1 157 ALA H 1 173 ASP QB . . 4.530 4.650 4.527 4.825 0.295 9 0 "[ . 1 . ]" 1
1243 1 157 ALA HA 1 173 ASP H . . 4.270 2.561 2.428 2.732 . 0 0 "[ . 1 . ]" 1
1244 1 157 ALA MB 1 158 HIS H . . 3.610 3.362 3.098 3.685 0.075 9 0 "[ . 1 . ]" 1
1245 1 157 ALA MB 1 172 PHE HA . . 4.860 2.485 2.218 2.746 . 0 0 "[ . 1 . ]" 1
1246 1 157 ALA MB 1 172 PHE QB . . 5.160 3.882 3.754 4.012 . 0 0 "[ . 1 . ]" 1
1247 1 157 ALA MB 1 172 PHE QD . . 3.540 3.489 2.977 3.771 0.231 7 0 "[ . 1 . ]" 1
1248 1 157 ALA MB 1 172 PHE QE . . 5.180 3.887 3.540 4.177 . 0 0 "[ . 1 . ]" 1
1249 1 157 ALA MB 1 178 TRP HH2 . . 4.900 2.388 2.212 2.644 . 0 0 "[ . 1 . ]" 1
1250 1 157 ALA MB 1 195 ALA MB . . 4.870 2.720 2.269 3.142 . 0 0 "[ . 1 . ]" 1
1251 1 158 HIS H 1 158 HIS HD2 . . 4.640 4.385 4.213 4.737 0.097 16 0 "[ . 1 . ]" 1
1252 1 158 HIS H 1 158 HIS HE1 . . 4.240 4.496 4.133 4.818 0.578 15 2 "[ . 1- + ]" 1
1253 1 158 HIS H 1 159 ALA H . . 4.540 4.557 4.212 4.665 0.125 14 0 "[ . 1 . ]" 1
1254 1 158 HIS H 1 173 ASP H . . 4.480 4.268 4.058 4.432 . 0 0 "[ . 1 . ]" 1
1255 1 158 HIS QB 1 159 ALA H . . 3.780 2.931 2.410 3.787 0.007 6 0 "[ . 1 . ]" 1
1256 1 158 HIS HB2 1 159 ALA H . . 3.790 3.014 2.436 4.028 0.238 6 0 "[ . 1 . ]" 1
1257 1 158 HIS HB3 1 159 ALA H . . 4.410 4.136 3.783 4.605 0.195 6 0 "[ . 1 . ]" 1
1258 1 158 HIS HD2 1 171 HIS H . . 4.750 4.481 3.919 5.278 0.528 16 1 "[ . 1 .+]" 1
1259 1 159 ALA H 1 160 PHE H . . 4.600 4.472 4.390 4.632 0.032 6 0 "[ . 1 . ]" 1
1260 1 159 ALA MB 1 160 PHE H . . 3.910 2.545 2.325 2.881 . 0 0 "[ . 1 . ]" 1
1261 1 159 ALA MB 1 170 ALA MB . . 4.350 2.996 2.442 3.279 . 0 0 "[ . 1 . ]" 1
1262 1 159 ALA MB 1 171 HIS H . . 4.460 3.198 2.820 3.699 . 0 0 "[ . 1 . ]" 1
1263 1 159 ALA MB 1 198 HIS H . . 4.380 4.234 3.988 4.437 0.057 16 0 "[ . 1 . ]" 1
1264 1 159 ALA MB 1 198 HIS HB2 . . 4.250 2.397 2.233 2.664 . 0 0 "[ . 1 . ]" 1
1265 1 159 ALA MB 1 198 HIS HB3 . . 5.530 3.098 2.752 3.569 . 0 0 "[ . 1 . ]" 1
1266 1 159 ALA MB 1 198 HIS HD2 . . 4.840 3.515 2.874 3.813 . 0 0 "[ . 1 . ]" 1
1267 1 159 ALA MB 1 199 SER H . . 4.310 3.519 3.185 3.842 . 0 0 "[ . 1 . ]" 1
1268 1 160 PHE H 1 160 PHE HB2 . . 3.550 2.575 2.452 2.691 . 0 0 "[ . 1 . ]" 1
1269 1 160 PHE H 1 160 PHE QD . . 3.390 3.512 3.077 3.833 0.443 13 0 "[ . 1 . ]" 1
1270 1 160 PHE H 1 168 GLY H . . 4.990 4.354 3.996 4.599 . 0 0 "[ . 1 . ]" 1
1271 1 160 PHE H 1 168 GLY HA2 . . 4.290 4.424 3.928 4.762 0.472 10 0 "[ . 1 . ]" 1
1272 1 160 PHE H 1 169 ASP H . . 3.860 4.145 2.818 4.700 0.840 10 6 "[* * * * + .-]" 1
1273 1 160 PHE H 1 170 ALA MB . . 4.800 4.418 4.185 4.718 . 0 0 "[ . 1 . ]" 1
1274 1 160 PHE H 1 198 HIS HB2 . . 5.120 5.283 4.916 5.594 0.474 12 0 "[ . 1 . ]" 1
1275 1 160 PHE HA 1 161 ALA H . . 3.470 2.450 2.365 2.556 . 0 0 "[ . 1 . ]" 1
1276 1 160 PHE QB 1 169 ASP H . . 4.080 2.578 2.372 2.871 . 0 0 "[ . 1 . ]" 1
1277 1 160 PHE HB2 1 168 GLY H . . 3.240 2.438 2.305 2.887 . 0 0 "[ . 1 . ]" 1
1278 1 160 PHE HB2 1 169 ASP H . . 3.070 2.613 2.394 2.913 . 0 0 "[ . 1 . ]" 1
1279 1 160 PHE HB3 1 161 ALA H . . 3.790 2.512 2.421 2.677 . 0 0 "[ . 1 . ]" 1
1280 1 160 PHE QD 1 161 ALA H . . 4.370 4.169 4.047 4.338 . 0 0 "[ . 1 . ]" 1
1281 1 160 PHE QD 1 168 GLY H . . 4.260 3.941 3.539 4.299 0.039 11 0 "[ . 1 . ]" 1
1282 1 160 PHE QD 1 169 ASP H . . 3.520 2.910 2.510 3.737 0.217 9 0 "[ . 1 . ]" 1
1283 1 160 PHE QE 1 171 HIS HE1 . . 4.160 3.309 2.958 3.924 . 0 0 "[ . 1 . ]" 1
1284 1 161 ALA H 1 161 ALA MB . . 3.240 2.261 2.217 2.297 . 0 0 "[ . 1 . ]" 1
1285 1 161 ALA H 1 163 GLY H . . 5.010 5.077 4.358 5.865 0.855 9 2 "[ . -+1 . ]" 1
1286 1 161 ALA H 1 168 GLY H . . 4.000 3.407 3.087 3.759 . 0 0 "[ . 1 . ]" 1
1287 1 161 ALA HA 1 201 GLY H . . 4.250 3.756 3.380 4.026 . 0 0 "[ . 1 . ]" 1
1288 1 161 ALA MB 1 162 PRO HA . . 5.300 4.580 4.514 4.631 . 0 0 "[ . 1 . ]" 1
1289 1 161 ALA MB 1 162 PRO QD . . 3.570 2.195 2.064 2.250 . 0 0 "[ . 1 . ]" 1
1290 1 161 ALA MB 1 163 GLY H . . 4.980 4.580 3.892 5.103 0.123 9 0 "[ . 1 . ]" 1
1291 1 161 ALA MB 1 201 GLY H . . 4.770 4.269 2.517 4.698 . 0 0 "[ . 1 . ]" 1
1292 1 161 ALA MB 1 201 GLY QA . . 4.690 3.470 2.591 3.972 . 0 0 "[ . 1 . ]" 1
1293 1 162 PRO HA 1 163 GLY H . . 3.510 2.375 2.311 2.578 . 0 0 "[ . 1 . ]" 1
1294 1 162 PRO HA 1 168 GLY HA2 . . 3.630 2.806 2.404 3.375 . 0 0 "[ . 1 . ]" 1
1295 1 162 PRO QB 1 163 GLY H . . 4.070 3.914 3.626 4.109 0.039 16 0 "[ . 1 . ]" 1
1296 1 162 PRO QD 1 201 GLY H . . 4.430 2.780 2.284 4.232 . 0 0 "[ . 1 . ]" 1
1297 1 163 GLY H 1 167 GLY H . . 4.850 3.951 3.010 4.614 . 0 0 "[ . 1 . ]" 1
1298 1 163 GLY H 1 168 GLY H . . 4.090 3.222 2.728 3.710 . 0 0 "[ . 1 . ]" 1
1299 1 165 GLY H 1 167 GLY H . . 4.240 3.676 2.579 4.820 0.580 12 1 "[ . 1 + . ]" 1
1300 1 165 GLY QA 1 167 GLY H . . 4.070 4.284 3.916 4.566 0.496 3 0 "[ . 1 . ]" 1
1301 1 166 LEU HB2 1 167 GLY H . . 3.950 3.856 3.756 3.966 0.016 6 0 "[ . 1 . ]" 1
1302 1 166 LEU HB3 1 167 GLY H . . 3.950 2.576 2.465 3.014 . 0 0 "[ . 1 . ]" 1
1303 1 167 GLY QA 1 169 ASP H . . 3.940 3.028 2.892 3.409 . 0 0 "[ . 1 . ]" 1
1304 1 168 GLY H 1 169 ASP H . . 3.150 2.864 2.516 3.203 0.053 10 0 "[ . 1 . ]" 1
1305 1 170 ALA H 1 170 ALA MB . . 3.660 2.469 2.420 2.514 . 0 0 "[ . 1 . ]" 1
1306 1 170 ALA H 1 171 HIS HD2 . . 4.180 4.146 3.500 4.559 0.379 2 0 "[ . 1 . ]" 1
1307 1 170 ALA MB 1 195 ALA MB . . 4.580 2.702 2.449 2.966 . 0 0 "[ . 1 . ]" 1
1308 1 171 HIS H 1 171 HIS HB2 . . 4.010 2.645 2.583 2.792 . 0 0 "[ . 1 . ]" 1
1309 1 171 HIS H 1 171 HIS HB3 . . 4.010 3.797 3.735 3.880 . 0 0 "[ . 1 . ]" 1
1310 1 171 HIS H 1 171 HIS HD2 . . 4.620 4.291 3.781 4.709 0.089 16 0 "[ . 1 . ]" 1
1311 1 171 HIS H 1 172 PHE QD . . 4.200 4.249 4.025 4.417 0.217 9 0 "[ . 1 . ]" 1
1312 1 171 HIS HA 1 171 HIS HD2 . . 4.230 2.530 2.473 2.593 . 0 0 "[ . 1 . ]" 1
1313 1 171 HIS HA 1 172 PHE H . . 3.430 2.468 2.425 2.511 . 0 0 "[ . 1 . ]" 1
1314 1 171 HIS HA 1 172 PHE QD . . 4.410 2.777 2.547 2.926 . 0 0 "[ . 1 . ]" 1
1315 1 171 HIS QB 1 172 PHE H . . 4.210 2.448 2.364 2.565 . 0 0 "[ . 1 . ]" 1
1316 1 172 PHE H 1 172 PHE QB . . 3.360 2.556 2.494 2.620 . 0 0 "[ . 1 . ]" 1
1317 1 172 PHE H 1 172 PHE HB2 . . 3.830 2.601 2.534 2.670 . 0 0 "[ . 1 . ]" 1
1318 1 172 PHE H 1 172 PHE HB3 . . 3.830 3.749 3.693 3.797 . 0 0 "[ . 1 . ]" 1
1319 1 172 PHE H 1 172 PHE QD . . 3.320 2.935 2.806 3.054 . 0 0 "[ . 1 . ]" 1
1320 1 172 PHE H 1 173 ASP H . . 4.420 4.352 4.218 4.444 0.024 16 0 "[ . 1 . ]" 1
1321 1 172 PHE HA 1 178 TRP HZ2 . . 4.780 3.479 3.106 3.747 . 0 0 "[ . 1 . ]" 1
1322 1 172 PHE QB 1 173 ASP H . . 3.390 3.360 3.129 3.592 0.202 3 0 "[ . 1 . ]" 1
1323 1 172 PHE QB 1 178 TRP HZ2 . . 4.010 2.979 2.856 3.191 . 0 0 "[ . 1 . ]" 1
1324 1 172 PHE HB2 1 173 ASP H . . 4.070 4.454 4.251 4.590 0.520 3 1 "[ + . 1 . ]" 1
1325 1 172 PHE HB2 1 178 TRP HZ2 . . 4.760 4.661 4.508 4.914 0.154 12 0 "[ . 1 . ]" 1
1326 1 172 PHE HB3 1 173 ASP H . . 4.070 3.478 3.220 3.751 . 0 0 "[ . 1 . ]" 1
1327 1 172 PHE HB3 1 178 TRP HZ2 . . 4.760 3.014 2.886 3.233 . 0 0 "[ . 1 . ]" 1
1328 1 172 PHE QD 1 173 ASP H . . 3.970 4.527 4.369 4.695 0.725 8 12 "[* *****+ -****. ]" 1
1329 1 172 PHE QD 1 178 TRP HH2 . . 4.540 3.038 2.616 3.309 . 0 0 "[ . 1 . ]" 1
1330 1 172 PHE QD 1 178 TRP HZ2 . . 4.370 3.657 3.422 3.880 . 0 0 "[ . 1 . ]" 1
1331 1 172 PHE QD 1 191 ALA MB . . 4.680 3.823 3.493 4.354 . 0 0 "[ . 1 . ]" 1
1332 1 172 PHE QE 1 191 ALA MB . . 4.090 2.773 2.636 3.109 . 0 0 "[ . 1 . ]" 1
1333 1 172 PHE QE 1 192 ALA H . . 4.340 3.959 3.591 4.291 . 0 0 "[ . 1 . ]" 1
1334 1 172 PHE QE 1 192 ALA HA . . 3.480 3.257 2.887 3.542 0.062 8 0 "[ . 1 . ]" 1
1335 1 172 PHE QE 1 192 ALA MB . . 4.060 3.645 3.265 3.889 . 0 0 "[ . 1 . ]" 1
1336 1 172 PHE QE 1 195 ALA MB . . 3.730 3.027 2.746 3.185 . 0 0 "[ . 1 . ]" 1
1337 1 173 ASP H 1 174 GLU H . . 4.260 4.419 4.344 4.585 0.325 2 0 "[ . 1 . ]" 1
1338 1 173 ASP H 1 175 ASP H . . 5.170 5.720 5.535 6.059 0.889 2 8 "[*+**. 1*- ** ]" 1
1339 1 173 ASP H 1 176 GLU H . . 5.320 4.944 4.901 5.078 . 0 0 "[ . 1 . ]" 1
1340 1 173 ASP H 1 178 TRP HE1 . . 4.290 4.293 3.887 4.617 0.327 16 0 "[ . 1 . ]" 1
1341 1 173 ASP H 1 178 TRP HZ2 . . 4.290 2.429 2.359 2.546 . 0 0 "[ . 1 . ]" 1
1342 1 174 GLU H 1 174 GLU QB . . 3.430 2.336 2.241 2.490 . 0 0 "[ . 1 . ]" 1
1343 1 174 GLU H 1 174 GLU HB2 . . 3.980 3.020 2.339 3.678 . 0 0 "[ . 1 . ]" 1
1344 1 174 GLU H 1 174 GLU HB3 . . 3.980 2.628 2.407 2.917 . 0 0 "[ . 1 . ]" 1
1345 1 174 GLU H 1 174 GLU QG . . 4.040 3.215 2.359 4.047 0.007 4 0 "[ . 1 . ]" 1
1346 1 174 GLU H 1 175 ASP H . . 3.140 2.856 2.751 2.944 . 0 0 "[ . 1 . ]" 1
1347 1 174 GLU H 1 176 GLU H . . 4.180 4.433 4.258 4.612 0.432 6 0 "[ . 1 . ]" 1
1348 1 174 GLU HB2 1 175 ASP H . . 4.300 4.081 3.854 4.256 . 0 0 "[ . 1 . ]" 1
1349 1 174 GLU HB3 1 175 ASP H . . 4.300 3.537 2.751 4.272 . 0 0 "[ . 1 . ]" 1
1350 1 175 ASP H 1 175 ASP QB . . 3.580 2.304 2.228 2.617 . 0 0 "[ . 1 . ]" 1
1351 1 175 ASP H 1 176 GLU H . . 2.970 2.803 2.648 2.941 . 0 0 "[ . 1 . ]" 1
1352 1 175 ASP H 1 178 TRP HE1 . . 4.520 4.694 4.457 4.986 0.466 5 0 "[ . 1 . ]" 1
1353 1 175 ASP QB 1 176 GLU H . . 4.350 2.795 2.590 3.346 . 0 0 "[ . 1 . ]" 1
1354 1 176 GLU H 1 176 GLU QB . . 3.620 2.414 2.266 2.478 . 0 0 "[ . 1 . ]" 1
1355 1 176 GLU H 1 176 GLU QG . . 3.470 2.491 2.341 3.858 0.388 13 0 "[ . 1 . ]" 1
1356 1 176 GLU H 1 177 ARG H . . 4.570 4.685 4.581 4.719 0.149 11 0 "[ . 1 . ]" 1
1357 1 176 GLU H 1 178 TRP HE1 . . 3.360 3.332 3.013 3.503 0.143 4 0 "[ . 1 . ]" 1
1358 1 176 GLU QB 1 178 TRP HZ2 . . 4.440 2.596 2.443 2.930 . 0 0 "[ . 1 . ]" 1
1359 1 177 ARG H 1 177 ARG QB . . 3.500 2.470 2.318 3.005 . 0 0 "[ . 1 . ]" 1
1360 1 177 ARG H 1 177 ARG QG . . 3.480 2.477 2.243 2.659 . 0 0 "[ . 1 . ]" 1
1361 1 177 ARG H 1 177 ARG HG2 . . 4.130 3.565 2.260 4.006 . 0 0 "[ . 1 . ]" 1
1362 1 177 ARG H 1 177 ARG HG3 . . 4.130 2.792 2.382 3.872 . 0 0 "[ . 1 . ]" 1
1363 1 177 ARG H 1 186 ILE H . . 4.010 4.562 4.227 4.892 0.882 12 11 "[** *- ** **+* .*]" 1
1364 1 177 ARG H 1 186 ILE MD . . 4.560 4.657 4.338 4.958 0.398 4 0 "[ . 1 . ]" 1
1365 1 177 ARG H 1 186 ILE QG . . 4.030 3.346 3.158 3.686 . 0 0 "[ . 1 . ]" 1
1366 1 177 ARG QG 1 178 TRP H . . 4.320 4.157 3.796 4.497 0.177 5 0 "[ . 1 . ]" 1
1367 1 177 ARG HG2 1 178 TRP H . . 4.940 4.477 3.978 4.912 . 0 0 "[ . 1 . ]" 1
1368 1 177 ARG HG3 1 178 TRP H . . 4.940 4.964 4.487 5.349 0.409 5 0 "[ . 1 . ]" 1
1369 1 178 TRP H 1 178 TRP QB . . 3.260 2.639 2.552 2.770 . 0 0 "[ . 1 . ]" 1
1370 1 178 TRP H 1 178 TRP HD1 . . 3.800 3.456 2.764 3.972 0.172 11 0 "[ . 1 . ]" 1
1371 1 178 TRP H 1 178 TRP HE1 . . 5.020 5.387 4.915 5.775 0.755 11 7 "[* *-. *1+ **. ]" 1
1372 1 178 TRP HA 1 186 ILE H . . 4.620 3.262 2.759 3.728 . 0 0 "[ . 1 . ]" 1
1373 1 178 TRP QB 1 178 TRP HE1 . . 4.510 4.393 4.363 4.421 . 0 0 "[ . 1 . ]" 1
1374 1 178 TRP QB 1 179 THR H . . 4.020 3.217 2.750 3.604 . 0 0 "[ . 1 . ]" 1
1375 1 178 TRP HE3 1 179 THR H . . 4.450 3.839 3.672 4.205 . 0 0 "[ . 1 . ]" 1
1376 1 178 TRP HE3 1 186 ILE HB . . 4.770 3.049 2.876 3.308 . 0 0 "[ . 1 . ]" 1
1377 1 178 TRP HE3 1 188 PHE H . . 4.310 4.414 4.016 4.746 0.436 4 0 "[ . 1 . ]" 1
1378 1 178 TRP HE3 1 188 PHE HB2 . . 4.440 4.281 3.923 4.481 0.041 2 0 "[ . 1 . ]" 1
1379 1 178 TRP HE3 1 188 PHE QD . . 4.360 3.256 2.386 4.088 . 0 0 "[ . 1 . ]" 1
1380 1 178 TRP HE3 1 191 ALA MB . . 4.190 3.588 3.234 3.787 . 0 0 "[ . 1 . ]" 1
1381 1 178 TRP HH2 1 191 ALA MB . . 4.140 3.393 3.238 3.740 . 0 0 "[ . 1 . ]" 1
1382 1 178 TRP HZ2 1 186 ILE HB . . 5.470 5.647 5.388 5.850 0.380 3 0 "[ . 1 . ]" 1
1383 1 178 TRP HZ2 1 186 ILE QG . . 4.970 5.194 4.999 5.486 0.516 3 1 "[ + . 1 . ]" 1
1384 1 178 TRP HZ3 1 186 ILE MD . . 4.870 5.284 5.113 5.500 0.630 6 3 "[ -+ *1 . ]" 1
1385 1 178 TRP HZ3 1 186 ILE MG . . 4.630 2.460 2.368 2.596 . 0 0 "[ . 1 . ]" 1
1386 1 178 TRP HZ3 1 191 ALA MB . . 3.890 2.178 2.125 2.222 . 0 0 "[ . 1 . ]" 1
1387 1 179 THR H 1 179 THR MG . . 3.930 2.679 2.548 3.573 . 0 0 "[ . 1 . ]" 1
1388 1 179 THR H 1 180 ASP H . . 4.520 4.423 4.367 4.462 . 0 0 "[ . 1 . ]" 1
1389 1 179 THR H 1 188 PHE H . . 3.210 3.075 2.619 3.508 0.298 14 0 "[ . 1 . ]" 1
1390 1 179 THR H 1 188 PHE HA . . 4.660 4.451 4.143 4.840 0.180 13 0 "[ . 1 . ]" 1
1391 1 179 THR HB 1 180 ASP H . . 3.900 3.824 2.416 4.261 0.361 3 0 "[ . 1 . ]" 1
1392 1 179 THR HB 1 185 GLY H . . 4.390 4.463 4.173 4.896 0.506 9 1 "[ . +1 . ]" 1
1393 1 179 THR MG 1 180 ASP H . . 4.970 3.234 2.969 3.589 . 0 0 "[ . 1 . ]" 1
1394 1 179 THR MG 1 181 GLY H . . 5.050 4.892 4.612 5.352 0.302 5 0 "[ . 1 . ]" 1
1395 1 179 THR MG 1 184 LEU QB . . 4.520 2.573 2.187 3.527 . 0 0 "[ . 1 . ]" 1
1396 1 179 THR MG 1 185 GLY H . . 4.390 2.317 2.097 3.152 . 0 0 "[ . 1 . ]" 1
1397 1 179 THR MG 1 186 ILE H . . 4.940 3.548 3.166 4.599 . 0 0 "[ . 1 . ]" 1
1398 1 179 THR MG 1 188 PHE H . . 5.100 4.507 4.196 5.506 0.406 5 0 "[ . 1 . ]" 1
1399 1 180 ASP H 1 181 GLY H . . 3.500 2.433 2.382 2.499 . 0 0 "[ . 1 . ]" 1
1400 1 180 ASP QB 1 181 GLY H . . 4.000 2.395 2.341 2.423 . 0 0 "[ . 1 . ]" 1
1401 1 180 ASP QB 1 182 SER H . . 3.980 4.576 4.478 4.666 0.686 7 15 "[*** **+*-*******]" 1
1402 1 181 GLY H 1 182 SER H . . 4.650 2.788 2.716 2.967 . 0 0 "[ . 1 . ]" 1
1403 1 182 SER H 1 183 SER H . . 5.340 2.725 2.665 2.801 . 0 0 "[ . 1 . ]" 1
1404 1 183 SER QB 1 184 LEU H . . 4.060 4.072 4.003 4.151 0.091 9 0 "[ . 1 . ]" 1
1405 1 183 SER HB2 1 184 LEU H . . 4.780 4.531 4.371 4.689 . 0 0 "[ . 1 . ]" 1
1406 1 183 SER HB3 1 184 LEU H . . 4.780 4.630 4.361 4.730 . 0 0 "[ . 1 . ]" 1
1407 1 184 LEU H 1 184 LEU QB . . 3.560 2.370 2.222 2.576 . 0 0 "[ . 1 . ]" 1
1408 1 184 LEU HA 1 185 GLY H . . 3.540 3.701 3.632 3.734 0.194 14 0 "[ . 1 . ]" 1
1409 1 184 LEU QB 1 185 GLY H . . 3.910 2.522 2.286 3.749 . 0 0 "[ . 1 . ]" 1
1410 1 185 GLY H 1 186 ILE H . . 4.510 3.443 3.018 3.937 . 0 0 "[ . 1 . ]" 1
1411 1 186 ILE H 1 186 ILE HB . . 3.950 2.560 2.463 2.614 . 0 0 "[ . 1 . ]" 1
1412 1 186 ILE H 1 186 ILE MD . . 3.920 3.434 2.994 3.694 . 0 0 "[ . 1 . ]" 1
1413 1 186 ILE H 1 186 ILE QG . . 2.930 2.474 2.425 2.582 . 0 0 "[ . 1 . ]" 1
1414 1 186 ILE HA 1 186 ILE MD . . 4.240 2.287 2.229 2.350 . 0 0 "[ . 1 . ]" 1
1415 1 186 ILE HA 1 186 ILE QG . . 3.680 3.141 3.081 3.238 . 0 0 "[ . 1 . ]" 1
1416 1 186 ILE MD 1 187 ASN H . . 4.790 4.207 4.088 4.348 . 0 0 "[ . 1 . ]" 1
1417 1 186 ILE MD 1 216 TYR QD . . 4.630 3.663 3.064 4.046 . 0 0 "[ . 1 . ]" 1
1418 1 186 ILE MG 1 187 ASN H . . 4.510 3.048 2.619 3.394 . 0 0 "[ . 1 . ]" 1
1419 1 186 ILE MG 1 191 ALA MB . . 5.060 2.128 2.034 2.172 . 0 0 "[ . 1 . ]" 1
1420 1 187 ASN H 1 187 ASN QB . . 3.670 2.438 2.262 2.579 . 0 0 "[ . 1 . ]" 1
1421 1 187 ASN H 1 188 PHE H . . 4.600 4.635 4.535 4.729 0.129 14 0 "[ . 1 . ]" 1
1422 1 188 PHE H 1 188 PHE HB2 . . 4.070 2.313 2.258 2.389 . 0 0 "[ . 1 . ]" 1
1423 1 188 PHE H 1 188 PHE QD . . 4.210 3.959 3.791 4.230 0.020 16 0 "[ . 1 . ]" 1
1424 1 188 PHE H 1 189 LEU H . . 3.180 2.701 2.586 2.831 . 0 0 "[ . 1 . ]" 1
1425 1 188 PHE HA 1 192 ALA H . . 4.640 3.760 3.359 4.022 . 0 0 "[ . 1 . ]" 1
1426 1 189 LEU H 1 191 ALA H . . 4.010 4.528 4.323 4.715 0.705 14 9 "[* * . * **** +- ]" 1
1427 1 189 LEU HA 1 192 ALA H . . 4.510 3.663 3.301 3.928 . 0 0 "[ . 1 . ]" 1
1428 1 190 TYR QB 1 191 ALA MB . . 4.580 3.945 3.878 4.037 . 0 0 "[ . 1 . ]" 1
1429 1 191 ALA H 1 192 ALA H . . 3.190 2.779 2.737 2.853 . 0 0 "[ . 1 . ]" 1
1430 1 191 ALA MB 1 192 ALA H . . 3.710 2.642 2.437 2.791 . 0 0 "[ . 1 . ]" 1
1431 1 191 ALA MB 1 192 ALA MB . . 4.910 3.883 3.705 4.047 . 0 0 "[ . 1 . ]" 1
1432 1 191 ALA MB 1 195 ALA H . . 4.870 3.835 3.642 4.114 . 0 0 "[ . 1 . ]" 1
1433 1 191 ALA MB 1 195 ALA MB . . 5.230 3.531 3.433 3.644 . 0 0 "[ . 1 . ]" 1
1434 1 192 ALA H 1 193 THR H . . 3.370 2.946 2.725 3.066 . 0 0 "[ . 1 . ]" 1
1435 1 192 ALA H 1 194 HIS H . . 4.240 4.194 3.944 4.433 0.193 13 0 "[ . 1 . ]" 1
1436 1 192 ALA HA 1 195 ALA MB . . 4.020 2.623 2.458 2.912 . 0 0 "[ . 1 . ]" 1
1437 1 192 ALA HA 1 196 LEU H . . 4.300 3.278 3.193 3.372 . 0 0 "[ . 1 . ]" 1
1438 1 192 ALA MB 1 193 THR H . . 4.210 2.581 2.468 2.756 . 0 0 "[ . 1 . ]" 1
1439 1 192 ALA MB 1 196 LEU HG . . 5.370 3.759 3.517 4.009 . 0 0 "[ . 1 . ]" 1
1440 1 193 THR H 1 194 HIS H . . 3.210 2.840 2.719 2.965 . 0 0 "[ . 1 . ]" 1
1441 1 193 THR HA 1 196 LEU H . . 4.510 3.987 3.883 4.075 . 0 0 "[ . 1 . ]" 1
1442 1 193 THR HB 1 194 HIS H . . 4.600 2.925 2.661 3.629 . 0 0 "[ . 1 . ]" 1
1443 1 193 THR MG 1 194 HIS H . . 4.590 4.088 3.696 4.387 . 0 0 "[ . 1 . ]" 1
1444 1 193 THR MG 1 224 PHE QE . . 5.600 2.690 2.295 3.651 . 0 0 "[ . 1 . ]" 1
1445 1 194 HIS H 1 194 HIS QB . . 3.590 2.256 2.228 2.282 . 0 0 "[ . 1 . ]" 1
1446 1 194 HIS H 1 195 ALA H . . 3.260 2.823 2.703 2.953 . 0 0 "[ . 1 . ]" 1
1447 1 194 HIS H 1 196 LEU H . . 4.650 4.374 4.270 4.538 . 0 0 "[ . 1 . ]" 1
1448 1 194 HIS HA 1 197 GLY H . . 4.540 3.652 3.288 3.908 . 0 0 "[ . 1 . ]" 1
1449 1 194 HIS QB 1 195 ALA H . . 4.060 2.500 2.415 2.673 . 0 0 "[ . 1 . ]" 1
1450 1 195 ALA H 1 195 ALA MB . . 3.550 2.285 2.270 2.301 . 0 0 "[ . 1 . ]" 1
1451 1 195 ALA H 1 198 HIS H . . 4.950 4.928 4.777 5.060 0.110 6 0 "[ . 1 . ]" 1
1452 1 195 ALA HA 1 198 HIS H . . 3.810 3.544 3.435 3.651 . 0 0 "[ . 1 . ]" 1
1453 1 195 ALA HA 1 198 HIS QB . . 4.970 3.383 3.201 3.743 . 0 0 "[ . 1 . ]" 1
1454 1 195 ALA HA 1 198 HIS HB2 . . 4.320 3.435 3.243 3.823 . 0 0 "[ . 1 . ]" 1
1455 1 195 ALA HA 1 198 HIS HD2 . . 3.930 2.470 2.340 2.909 . 0 0 "[ . 1 . ]" 1
1456 1 195 ALA MB 1 196 LEU H . . 3.390 2.414 2.378 2.458 . 0 0 "[ . 1 . ]" 1
1457 1 196 LEU H 1 196 LEU QB . . 3.140 2.401 2.384 2.434 . 0 0 "[ . 1 . ]" 1
1458 1 196 LEU H 1 196 LEU HG . . 3.840 3.989 3.922 4.065 0.225 4 0 "[ . 1 . ]" 1
1459 1 196 LEU H 1 197 GLY H . . 3.040 2.709 2.663 2.761 . 0 0 "[ . 1 . ]" 1
1460 1 196 LEU H 1 198 HIS H . . 4.120 4.352 4.234 4.516 0.396 6 0 "[ . 1 . ]" 1
1461 1 196 LEU HA 1 199 SER H . . 3.510 3.001 2.880 3.149 . 0 0 "[ . 1 . ]" 1
1462 1 196 LEU HA 1 199 SER QB . . 4.040 2.943 2.640 3.537 . 0 0 "[ . 1 . ]" 1
1463 1 196 LEU HA 1 199 SER HB2 . . 4.650 3.443 2.908 4.672 0.022 9 0 "[ . 1 . ]" 1
1464 1 196 LEU HA 1 199 SER HB3 . . 4.650 3.480 2.846 4.518 . 0 0 "[ . 1 . ]" 1
1465 1 196 LEU QB 1 197 GLY H . . 3.640 2.789 2.660 2.914 . 0 0 "[ . 1 . ]" 1
1466 1 196 LEU QB 1 198 HIS H . . 5.030 4.886 4.769 5.015 . 0 0 "[ . 1 . ]" 1
1467 1 196 LEU HB2 1 197 GLY H . . 4.160 2.895 2.748 3.033 . 0 0 "[ . 1 . ]" 1
1468 1 196 LEU HB3 1 197 GLY H . . 4.160 3.646 3.544 3.772 . 0 0 "[ . 1 . ]" 1
1469 1 197 GLY H 1 198 HIS H . . 3.080 2.977 2.874 3.051 . 0 0 "[ . 1 . ]" 1
1470 1 197 GLY H 1 199 SER H . . 4.480 4.307 4.151 4.461 . 0 0 "[ . 1 . ]" 1
1471 1 198 HIS H 1 198 HIS HB2 . . 3.570 2.546 2.410 2.675 . 0 0 "[ . 1 . ]" 1
1472 1 198 HIS H 1 198 HIS HD2 . . 4.150 3.258 2.918 3.962 . 0 0 "[ . 1 . ]" 1
1473 1 198 HIS H 1 199 SER H . . 2.970 2.813 2.745 2.912 . 0 0 "[ . 1 . ]" 1
1474 1 198 HIS H 1 200 LEU HG . . 4.200 4.992 4.853 5.100 0.900 10 16 [*********+*****-] 1
1475 1 198 HIS H 1 202 MET QB . . 4.530 4.400 4.083 4.786 0.256 1 0 "[ . 1 . ]" 1
1476 1 198 HIS HE1 1 204 HIS H . . 4.250 4.054 3.290 4.662 0.412 6 0 "[ . 1 . ]" 1
1477 1 198 HIS HE1 1 204 HIS HA . . 4.590 4.306 3.485 5.188 0.598 15 1 "[ . 1 + ]" 1
1478 1 198 HIS HE1 1 204 HIS HE1 . . 4.890 4.519 3.254 4.882 . 0 0 "[ . 1 . ]" 1
1479 1 199 SER H 1 199 SER QB . . 3.520 2.476 2.314 2.702 . 0 0 "[ . 1 . ]" 1
1480 1 199 SER H 1 199 SER HB2 . . 4.020 2.874 2.500 3.693 . 0 0 "[ . 1 . ]" 1
1481 1 199 SER H 1 199 SER HB3 . . 4.020 2.939 2.616 3.701 . 0 0 "[ . 1 . ]" 1
1482 1 199 SER H 1 200 LEU H . . 3.270 2.869 2.769 2.971 . 0 0 "[ . 1 . ]" 1
1483 1 199 SER H 1 201 GLY H . . 4.210 4.397 4.243 4.513 0.303 14 0 "[ . 1 . ]" 1
1484 1 200 LEU H 1 200 LEU HB2 . . 3.740 2.716 2.661 2.796 . 0 0 "[ . 1 . ]" 1
1485 1 200 LEU H 1 200 LEU HG . . 3.940 2.315 2.267 2.395 . 0 0 "[ . 1 . ]" 1
1486 1 200 LEU H 1 201 GLY H . . 2.740 2.651 2.469 2.882 0.142 14 0 "[ . 1 . ]" 1
1487 1 200 LEU H 1 201 GLY QA . . 4.370 4.371 4.242 4.586 0.216 16 0 "[ . 1 . ]" 1
1488 1 200 LEU H 1 201 GLY HA2 . . 5.170 4.759 4.582 5.056 . 0 0 "[ . 1 . ]" 1
1489 1 200 LEU H 1 201 GLY HA3 . . 5.170 5.096 4.991 5.252 0.082 16 0 "[ . 1 . ]" 1
1490 1 200 LEU H 1 202 MET H . . 3.620 3.156 2.970 3.348 . 0 0 "[ . 1 . ]" 1
1491 1 200 LEU HB2 1 201 GLY H . . 4.540 3.954 3.739 4.177 . 0 0 "[ . 1 . ]" 1
1492 1 200 LEU HB2 1 202 MET HA . . 4.980 4.627 4.383 4.924 . 0 0 "[ . 1 . ]" 1
1493 1 200 LEU HB2 1 234 ILE MD . . 4.590 3.478 2.938 4.031 . 0 0 "[ . 1 . ]" 1
1494 1 200 LEU HB3 1 234 ILE MD . . 4.390 3.287 2.796 3.863 . 0 0 "[ . 1 . ]" 1
1495 1 200 LEU HG 1 201 GLY H . . 4.870 4.779 4.620 4.977 0.107 9 0 "[ . 1 . ]" 1
1496 1 201 GLY H 1 202 MET QB . . 4.590 4.709 4.356 5.134 0.544 14 1 "[ . 1 +. ]" 1
1497 1 202 MET H 1 202 MET QB . . 3.480 2.319 2.227 2.382 . 0 0 "[ . 1 . ]" 1
1498 1 202 MET H 1 202 MET ME . . 4.560 4.702 4.315 5.174 0.614 14 2 "[ . - 1 +. ]" 1
1499 1 202 MET H 1 234 ILE MD . . 4.640 4.981 4.568 5.354 0.714 3 6 "[ + . -*1** *. ]" 1
1500 1 202 MET HA 1 202 MET ME . . 5.200 2.846 2.209 3.509 . 0 0 "[ . 1 . ]" 1
1501 1 202 MET HA 1 203 GLY H . . 3.530 2.357 2.299 2.411 . 0 0 "[ . 1 . ]" 1
1502 1 202 MET HA 1 234 ILE MD . . 4.540 4.419 3.851 4.901 0.361 12 0 "[ . 1 . ]" 1
1503 1 202 MET QB 1 202 MET ME . . 3.250 2.332 2.225 2.575 . 0 0 "[ . 1 . ]" 1
1504 1 202 MET QB 1 203 GLY H . . 4.170 3.368 2.531 3.960 . 0 0 "[ . 1 . ]" 1
1505 1 202 MET QB 1 234 ILE MD . . 4.200 3.739 2.783 4.333 0.133 9 0 "[ . 1 . ]" 1
1506 1 202 MET HB2 1 203 GLY H . . 4.800 4.217 3.866 4.462 . 0 0 "[ . 1 . ]" 1
1507 1 202 MET HB3 1 203 GLY H . . 4.800 3.647 2.566 4.460 . 0 0 "[ . 1 . ]" 1
1508 1 202 MET ME 1 203 GLY H . . 4.640 3.233 2.347 4.221 . 0 0 "[ . 1 . ]" 1
1509 1 202 MET ME 1 233 GLY H . . 4.270 4.252 3.820 4.813 0.543 3 2 "[ + . 1 - . ]" 1
1510 1 202 MET ME 1 233 GLY HA3 . . 3.870 3.159 2.653 3.613 . 0 0 "[ . 1 . ]" 1
1511 1 202 MET ME 1 234 ILE H . . 3.590 2.637 2.365 2.941 . 0 0 "[ . 1 . ]" 1
1512 1 202 MET ME 1 234 ILE MD . . 4.280 2.987 2.303 3.536 . 0 0 "[ . 1 . ]" 1
1513 1 202 MET ME 1 234 ILE MG . . 4.320 3.309 2.573 3.946 . 0 0 "[ . 1 . ]" 1
1514 1 204 HIS H 1 204 HIS QB . . 3.690 2.392 2.291 2.558 . 0 0 "[ . 1 . ]" 1
1515 1 204 HIS H 1 205 SER H . . 5.060 4.717 4.653 4.766 . 0 0 "[ . 1 . ]" 1
1516 1 204 HIS HA 1 204 HIS HD2 . . 3.900 3.676 2.658 4.102 0.202 4 0 "[ . 1 . ]" 1
1517 1 204 HIS HA 1 205 SER H . . 3.560 2.547 2.436 2.623 . 0 0 "[ . 1 . ]" 1
1518 1 204 HIS HA 1 214 PRO HD3 . . 4.390 4.398 4.124 4.829 0.439 15 0 "[ . 1 . ]" 1
1519 1 204 HIS HE1 1 214 PRO HA . . 4.400 3.051 2.588 3.477 . 0 0 "[ . 1 . ]" 1
1520 1 205 SER H 1 205 SER QB . . 3.550 2.503 2.366 2.633 . 0 0 "[ . 1 . ]" 1
1521 1 205 SER H 1 206 SER H . . 4.780 4.509 4.472 4.550 . 0 0 "[ . 1 . ]" 1
1522 1 205 SER H 1 212 MET H . . 4.470 4.526 4.141 5.147 0.677 6 2 "[ .+ 1 .-]" 1
1523 1 205 SER H 1 213 TYR H . . 4.330 5.073 4.575 5.364 1.034 15 15 "[**-** ********+*]" 1
1524 1 205 SER H 1 214 PRO HD3 . . 3.980 3.099 2.573 3.707 . 0 0 "[ . 1 . ]" 1
1525 1 205 SER QB 1 207 ASP H . . 3.550 2.703 2.363 3.315 . 0 0 "[ . 1 . ]" 1
1526 1 205 SER QB 1 210 ALA MB . . 4.190 2.181 2.043 2.904 . 0 0 "[ . 1 . ]" 1
1527 1 205 SER HB2 1 207 ASP H . . 4.380 3.942 3.121 4.430 0.050 4 0 "[ . 1 . ]" 1
1528 1 205 SER HB2 1 210 ALA MB . . 4.980 2.634 2.139 3.656 . 0 0 "[ . 1 . ]" 1
1529 1 205 SER HB3 1 207 ASP H . . 4.380 2.768 2.385 3.436 . 0 0 "[ . 1 . ]" 1
1530 1 205 SER HB3 1 210 ALA MB . . 4.980 2.629 2.137 3.881 . 0 0 "[ . 1 . ]" 1
1531 1 206 SER H 1 207 ASP H . . 2.830 2.592 2.410 2.837 0.007 4 0 "[ . 1 . ]" 1
1532 1 207 ASP H 1 207 ASP QB . . 3.510 2.360 2.222 2.568 . 0 0 "[ . 1 . ]" 1
1533 1 207 ASP H 1 213 TYR QE . . 4.400 4.359 3.400 5.146 0.746 12 4 "[* * .- 1 + . ]" 1
1534 1 209 ASN H 1 209 ASN QB . . 3.690 2.800 2.520 2.931 . 0 0 "[ . 1 . ]" 1
1535 1 209 ASN H 1 209 ASN QD . . 3.540 2.847 2.361 3.507 . 0 0 "[ . 1 . ]" 1
1536 1 209 ASN H 1 209 ASN HD21 . . 4.210 3.071 2.422 3.981 . 0 0 "[ . 1 . ]" 1
1537 1 209 ASN H 1 209 ASN HD22 . . 4.210 3.550 3.244 3.896 . 0 0 "[ . 1 . ]" 1
1538 1 209 ASN H 1 210 ALA H . . 2.690 2.893 2.725 3.090 0.400 5 0 "[ . 1 . ]" 1
1539 1 209 ASN H 1 210 ALA MB . . 4.200 4.178 3.889 4.313 0.113 1 0 "[ . 1 . ]" 1
1540 1 209 ASN HB2 1 210 ALA H . . 5.500 4.601 3.982 4.701 . 0 0 "[ . 1 . ]" 1
1541 1 209 ASN HB3 1 210 ALA H . . 5.500 4.766 4.626 4.809 . 0 0 "[ . 1 . ]" 1
1542 1 209 ASN QD 1 210 ALA MB . . 5.010 4.844 4.187 5.592 0.582 14 1 "[ . 1 +. ]" 1
1543 1 210 ALA H 1 210 ALA MB . . 3.490 2.366 2.313 2.409 . 0 0 "[ . 1 . ]" 1
1544 1 210 ALA H 1 211 VAL H . . 5.040 4.698 4.636 4.741 . 0 0 "[ . 1 . ]" 1
1545 1 210 ALA H 1 213 TYR HB2 . . 4.450 2.663 2.458 2.917 . 0 0 "[ . 1 . ]" 1
1546 1 210 ALA MB 1 211 VAL H . . 3.990 2.530 2.401 2.681 . 0 0 "[ . 1 . ]" 1
1547 1 210 ALA MB 1 212 MET H . . 4.210 2.641 2.403 2.928 . 0 0 "[ . 1 . ]" 1
1548 1 210 ALA MB 1 213 TYR H . . 4.640 3.054 2.587 3.338 . 0 0 "[ . 1 . ]" 1
1549 1 210 ALA MB 1 213 TYR QB . . 4.300 2.284 2.236 2.386 . 0 0 "[ . 1 . ]" 1
1550 1 210 ALA MB 1 228 GLN H . . 5.500 5.909 4.833 6.244 0.744 7 5 "[ -. +**1 * . ]" 1
1551 1 210 ALA MB 1 230 ASP HA . . 4.320 4.732 4.226 5.077 0.757 6 6 "[ *+- ** * ]" 1
1552 1 210 ALA MB 1 230 ASP QB . . 4.950 3.885 2.973 4.528 . 0 0 "[ . 1 . ]" 1
1553 1 211 VAL H 1 211 VAL HB . . 3.930 2.466 2.282 3.670 . 0 0 "[ . 1 . ]" 1
1554 1 211 VAL H 1 212 MET H . . 3.140 2.392 2.335 2.480 . 0 0 "[ . 1 . ]" 1
1555 1 211 VAL H 1 213 TYR H . . 3.850 4.191 3.766 4.614 0.764 13 3 "[ . - + .*]" 1
1556 1 211 VAL H 1 227 SER H . . 3.990 3.881 3.554 4.190 0.200 5 0 "[ . 1 . ]" 1
1557 1 211 VAL H 1 227 SER HA . . 4.420 5.099 4.929 5.273 0.853 6 16 [*****+********-*] 1
1558 1 211 VAL H 1 227 SER QB . . 5.340 2.470 2.281 3.511 . 0 0 "[ . 1 . ]" 1
1559 1 212 MET H 1 213 TYR H . . 3.180 3.044 2.699 3.381 0.201 13 0 "[ . 1 . ]" 1
1560 1 213 TYR H 1 213 TYR HB2 . . 3.960 2.476 2.388 2.591 . 0 0 "[ . 1 . ]" 1
1561 1 213 TYR H 1 213 TYR HB3 . . 3.960 2.638 2.502 2.756 . 0 0 "[ . 1 . ]" 1
1562 1 213 TYR HA 1 213 TYR QD . . 4.110 2.267 2.214 2.333 . 0 0 "[ . 1 . ]" 1
1563 1 213 TYR QB 1 214 PRO HD2 . . 4.930 3.850 3.630 3.945 . 0 0 "[ . 1 . ]" 1
1564 1 213 TYR QB 1 214 PRO HD3 . . 4.790 4.432 4.201 4.535 . 0 0 "[ . 1 . ]" 1
1565 1 213 TYR QB 1 215 THR H . . 4.350 3.513 3.238 3.899 . 0 0 "[ . 1 . ]" 1
1566 1 213 TYR QD 1 214 PRO QD . . 4.380 2.452 2.284 2.678 . 0 0 "[ . 1 . ]" 1
1567 1 213 TYR QD 1 214 PRO HD2 . . 4.190 2.510 2.309 2.857 . 0 0 "[ . 1 . ]" 1
1568 1 213 TYR QD 1 215 THR H . . 3.600 3.268 3.048 3.394 . 0 0 "[ . 1 . ]" 1
1569 1 213 TYR QE 1 215 THR H . . 4.410 3.896 3.678 4.027 . 0 0 "[ . 1 . ]" 1
1570 1 214 PRO QD 1 215 THR H . . 4.410 2.622 2.434 2.899 . 0 0 "[ . 1 . ]" 1
1571 1 214 PRO HD2 1 215 THR H . . 4.210 2.664 2.462 2.962 . 0 0 "[ . 1 . ]" 1
1572 1 214 PRO QG 1 215 THR H . . 4.060 2.783 2.577 3.107 . 0 0 "[ . 1 . ]" 1
1573 1 214 PRO QG 1 215 THR MG . . 5.810 4.298 2.507 4.888 . 0 0 "[ . 1 . ]" 1
1574 1 215 THR H 1 215 THR MG . . 3.920 3.653 2.284 3.927 0.007 6 0 "[ . 1 . ]" 1
1575 1 215 THR H 1 216 TYR H . . 3.540 3.626 2.516 4.022 0.482 9 0 "[ . 1 . ]" 1
1576 1 215 THR MG 1 216 TYR H . . 5.710 4.210 3.894 4.472 . 0 0 "[ . 1 . ]" 1
1577 1 216 TYR QB 1 217 GLY H . . 4.290 3.554 2.633 4.070 . 0 0 "[ . 1 . ]" 1
1578 1 218 ASN H 1 218 ASN QB . . 3.310 2.774 2.275 3.468 0.158 15 0 "[ . 1 . ]" 1
1579 1 218 ASN H 1 218 ASN HB2 . . 3.820 3.146 2.399 3.935 0.115 6 0 "[ . 1 . ]" 1
1580 1 218 ASN H 1 218 ASN HB3 . . 3.820 3.279 2.689 3.994 0.174 15 0 "[ . 1 . ]" 1
1581 1 218 ASN QB 1 219 GLY H . . 3.600 2.783 2.327 3.948 0.348 4 0 "[ . 1 . ]" 1
1582 1 218 ASN HB2 1 219 GLY H . . 4.480 3.500 2.435 4.265 . 0 0 "[ . 1 . ]" 1
1583 1 218 ASN HB3 1 219 GLY H . . 4.480 3.197 2.414 4.658 0.178 4 0 "[ . 1 . ]" 1
1584 1 222 GLN H 1 222 GLN QB . . 3.620 2.401 2.257 2.572 . 0 0 "[ . 1 . ]" 1
1585 1 222 GLN H 1 222 GLN QG . . 3.980 3.131 2.340 4.077 0.097 6 0 "[ . 1 . ]" 1
1586 1 222 GLN H 1 222 GLN HG2 . . 4.590 3.904 2.367 4.681 0.091 1 0 "[ . 1 . ]" 1
1587 1 222 GLN H 1 222 GLN HG3 . . 4.590 3.480 2.459 4.568 . 0 0 "[ . 1 . ]" 1
1588 1 222 GLN H 1 223 ASN H . . 3.820 2.736 2.517 2.958 . 0 0 "[ . 1 . ]" 1
1589 1 222 GLN QB 1 223 ASN H . . 3.100 2.478 2.266 3.498 0.398 7 0 "[ . 1 . ]" 1
1590 1 222 GLN HB2 1 223 ASN H . . 3.610 2.865 2.311 3.861 0.251 7 0 "[ . 1 . ]" 1
1591 1 222 GLN HB3 1 223 ASN H . . 3.610 3.114 2.320 4.000 0.390 7 0 "[ . 1 . ]" 1
1592 1 223 ASN H 1 224 PHE QB . . 4.140 4.571 4.029 4.939 0.799 13 8 "[ - * * ** + **]" 1
1593 1 223 ASN QB 1 224 PHE H . . 3.970 2.921 2.499 4.062 0.092 13 0 "[ . 1 . ]" 1
1594 1 223 ASN HB2 1 224 PHE H . . 4.620 3.506 2.556 4.624 0.004 6 0 "[ . 1 . ]" 1
1595 1 223 ASN HB3 1 224 PHE H . . 4.620 3.414 2.564 4.608 . 0 0 "[ . 1 . ]" 1
1596 1 224 PHE QB 1 225 LYS H . . 3.560 3.383 2.708 3.646 0.086 12 0 "[ . 1 . ]" 1
1597 1 224 PHE QE 1 225 LYS H . . 4.400 4.164 3.939 4.672 0.272 12 0 "[ . 1 . ]" 1
1598 1 225 LYS QB 1 225 LYS QD . . 1.800 2.240 2.157 2.370 0.570 5 3 "[ + 1-* . ]" 1
1599 1 225 LYS QB 1 226 LEU H . . 3.990 2.547 2.290 3.190 . 0 0 "[ . 1 . ]" 1
1600 1 225 LYS QB 1 226 LEU HA . . 4.390 4.564 4.276 4.912 0.522 13 1 "[ . 1 + . ]" 1
1601 1 226 LEU H 1 226 LEU QB . . 3.090 2.315 2.234 2.397 . 0 0 "[ . 1 . ]" 1
1602 1 226 LEU HA 1 231 ILE QG . . 4.640 4.628 4.401 5.016 0.376 3 0 "[ . 1 . ]" 1
1603 1 226 LEU HA 1 231 ILE HG12 . . 5.500 5.644 4.752 6.080 0.580 11 2 "[ . -+ . ]" 1
1604 1 226 LEU HA 1 231 ILE HG13 . . 5.500 4.978 4.627 6.143 0.643 3 1 "[ + . 1 . ]" 1
1605 1 227 SER H 1 230 ASP H . . 4.610 4.204 3.915 4.510 . 0 0 "[ . 1 . ]" 1
1606 1 227 SER H 1 231 ILE H . . 4.290 4.172 3.928 4.511 0.221 3 0 "[ . 1 . ]" 1
1607 1 227 SER QB 1 228 GLN H . . 4.430 3.308 2.544 3.593 . 0 0 "[ . 1 . ]" 1
1608 1 228 GLN H 1 230 ASP QB . . 4.390 5.078 4.610 5.522 1.132 8 9 "[ * *-*+** ** ]" 1
1609 1 228 GLN HA 1 230 ASP QB . . 4.770 5.161 4.703 5.509 0.739 8 8 "[ * * *+*- ** ]" 1
1610 1 229 ASP H 1 230 ASP H . . 3.100 2.807 2.704 2.916 . 0 0 "[ . 1 . ]" 1
1611 1 230 ASP H 1 231 ILE H . . 2.940 2.763 2.606 2.966 0.026 3 0 "[ . 1 . ]" 1
1612 1 230 ASP H 1 231 ILE HB . . 4.800 5.071 4.769 5.505 0.705 3 1 "[ + . 1 . ]" 1
1613 1 230 ASP H 1 231 ILE MD . . 4.530 5.178 4.595 5.380 0.850 6 15 "[** *-+**********]" 1
1614 1 230 ASP H 1 231 ILE QG . . 4.740 4.550 4.347 4.911 0.171 3 0 "[ . 1 . ]" 1
1615 1 230 ASP H 1 232 LYS H . . 3.970 4.575 4.243 4.952 0.982 3 10 "[ *+*. ***** -.*]" 1
1616 1 230 ASP H 1 232 LYS QG . . 4.330 4.789 4.612 5.178 0.848 14 5 "[ *.** - +. ]" 1
1617 1 230 ASP HA 1 233 GLY H . . 4.920 3.612 3.391 3.963 . 0 0 "[ . 1 . ]" 1
1618 1 231 ILE H 1 231 ILE HB . . 3.550 2.513 2.452 2.668 . 0 0 "[ . 1 . ]" 1
1619 1 231 ILE H 1 231 ILE MD . . 3.970 3.413 2.722 3.598 . 0 0 "[ . 1 . ]" 1
1620 1 231 ILE H 1 231 ILE QG . . 3.330 2.396 2.329 2.602 . 0 0 "[ . 1 . ]" 1
1621 1 231 ILE H 1 231 ILE MG . . 4.490 3.851 3.818 3.890 . 0 0 "[ . 1 . ]" 1
1622 1 231 ILE H 1 232 LYS H . . 3.110 2.845 2.706 2.972 . 0 0 "[ . 1 . ]" 1
1623 1 231 ILE H 1 232 LYS HB3 . . 4.860 5.281 5.058 5.509 0.649 11 5 "[ -* . 1+* * ]" 1
1624 1 231 ILE HA 1 234 ILE MG . . 4.020 2.327 2.198 2.501 . 0 0 "[ . 1 . ]" 1
1625 1 231 ILE HA 1 235 GLN H . . 4.410 4.159 3.781 4.370 . 0 0 "[ . 1 . ]" 1
1626 1 231 ILE HB 1 231 ILE MD . . 3.260 2.478 2.304 3.341 0.081 14 0 "[ . 1 . ]" 1
1627 1 231 ILE HB 1 232 LYS H . . 3.570 2.631 2.481 3.049 . 0 0 "[ . 1 . ]" 1
1628 1 231 ILE HB 1 232 LYS HA . . 4.660 4.385 4.266 4.623 . 0 0 "[ . 1 . ]" 1
1629 1 231 ILE MD 1 232 LYS H . . 5.010 4.535 4.401 4.899 . 0 0 "[ . 1 . ]" 1
1630 1 231 ILE MD 1 232 LYS HB3 . . 6.000 6.062 5.822 6.800 0.800 14 2 "[ - . 1 +. ]" 1
1631 1 231 ILE QG 1 232 LYS H . . 4.660 4.288 4.231 4.419 . 0 0 "[ . 1 . ]" 1
1632 1 231 ILE MD 1 231 ILE MG . . 3.990 2.237 2.198 2.390 . 0 0 "[ . 1 . ]" 1
1633 1 231 ILE MG 1 232 LYS H . . 4.510 3.267 3.018 3.528 . 0 0 "[ . 1 . ]" 1
1634 1 231 ILE MG 1 232 LYS HA . . 4.050 3.175 2.964 3.396 . 0 0 "[ . 1 . ]" 1
1635 1 231 ILE MG 1 233 GLY H . . 5.240 4.856 4.762 4.992 . 0 0 "[ . 1 . ]" 1
1636 1 231 ILE MG 1 234 ILE H . . 4.810 4.704 4.406 4.986 0.176 13 0 "[ . 1 . ]" 1
1637 1 231 ILE MG 1 235 GLN H . . 4.770 3.814 3.558 3.972 . 0 0 "[ . 1 . ]" 1
1638 1 231 ILE MG 1 235 GLN QG . . 4.630 2.524 2.137 3.356 . 0 0 "[ . 1 . ]" 1
1639 1 232 LYS H 1 232 LYS HB3 . . 3.570 2.521 2.423 2.634 . 0 0 "[ . 1 . ]" 1
1640 1 232 LYS H 1 232 LYS QG . . 3.890 2.528 2.302 2.889 . 0 0 "[ . 1 . ]" 1
1641 1 232 LYS H 1 233 GLY H . . 3.100 2.841 2.711 2.952 . 0 0 "[ . 1 . ]" 1
1642 1 232 LYS HA 1 232 LYS QG . . 3.700 3.361 3.331 3.387 . 0 0 "[ . 1 . ]" 1
1643 1 232 LYS HB3 1 233 GLY H . . 3.670 4.088 3.976 4.175 0.505 12 1 "[ . 1 + . ]" 1
1644 1 232 LYS QG 1 233 GLY H . . 3.760 2.334 2.276 2.448 . 0 0 "[ . 1 . ]" 1
1645 1 232 LYS QG 1 233 GLY HA2 . . 4.810 3.061 2.907 3.199 . 0 0 "[ . 1 . ]" 1
1646 1 232 LYS QG 1 233 GLY HA3 . . 4.550 3.696 3.559 3.817 . 0 0 "[ . 1 . ]" 1
1647 1 233 GLY H 1 234 ILE H . . 2.800 2.897 2.795 3.021 0.221 3 0 "[ . 1 . ]" 1
1648 1 233 GLY H 1 234 ILE MG . . 5.070 4.339 4.153 4.542 . 0 0 "[ . 1 . ]" 1
1649 1 233 GLY H 1 235 GLN H . . 4.400 4.175 4.055 4.311 . 0 0 "[ . 1 . ]" 1
1650 1 233 GLY HA2 1 235 GLN H . . 4.430 4.607 4.511 4.839 0.409 11 0 "[ . 1 . ]" 1
1651 1 233 GLY HA2 1 236 LYS QB . . 4.080 3.350 2.873 3.836 . 0 0 "[ . 1 . ]" 1
1652 1 233 GLY HA3 1 235 GLN H . . 4.790 4.732 4.613 4.919 0.129 11 0 "[ . 1 . ]" 1
1653 1 234 ILE H 1 234 ILE HB . . 3.370 2.579 2.455 2.809 . 0 0 "[ . 1 . ]" 1
1654 1 234 ILE H 1 234 ILE MD . . 4.810 4.490 4.384 4.639 . 0 0 "[ . 1 . ]" 1
1655 1 234 ILE H 1 234 ILE HG12 . . 4.760 4.674 4.637 4.738 . 0 0 "[ . 1 . ]" 1
1656 1 234 ILE H 1 234 ILE MG . . 3.550 2.320 2.212 2.523 . 0 0 "[ . 1 . ]" 1
1657 1 234 ILE H 1 235 GLN H . . 2.950 2.773 2.605 2.955 0.005 4 0 "[ . 1 . ]" 1
1658 1 234 ILE H 1 236 LYS H . . 4.460 4.255 4.006 4.508 0.048 12 0 "[ . 1 . ]" 1
1659 1 234 ILE H 1 237 LEU H . . 5.470 5.413 5.279 5.527 0.057 5 0 "[ . 1 . ]" 1
1660 1 234 ILE HB 1 235 GLN H . . 4.360 4.139 3.996 4.282 . 0 0 "[ . 1 . ]" 1
1661 1 234 ILE HB 1 238 TYR QD . . 4.560 4.888 4.818 4.996 0.436 13 0 "[ . 1 . ]" 1
1662 1 234 ILE MD 1 238 TYR QD . . 4.020 3.422 3.051 3.840 . 0 0 "[ . 1 . ]" 1
1663 1 234 ILE QG 1 238 TYR QD . . 3.980 2.194 2.126 2.320 . 0 0 "[ . 1 . ]" 1
1664 1 234 ILE HG12 1 238 TYR QD . . 4.240 2.384 2.296 2.459 . 0 0 "[ . 1 . ]" 1
1665 1 234 ILE HG12 1 238 TYR QE . . 4.050 3.290 2.777 3.768 . 0 0 "[ . 1 . ]" 1
1666 1 234 ILE HG13 1 238 TYR QD . . 3.750 2.604 2.343 3.014 . 0 0 "[ . 1 . ]" 1
1667 1 234 ILE MD 1 234 ILE MG . . 2.920 2.225 2.174 2.303 . 0 0 "[ . 1 . ]" 1
1668 1 234 ILE MG 1 235 GLN H . . 3.710 2.411 2.292 2.503 . 0 0 "[ . 1 . ]" 1
1669 1 234 ILE MG 1 235 GLN QG . . 4.220 2.984 2.312 4.214 . 0 0 "[ . 1 . ]" 1
1670 1 234 ILE MG 1 236 LYS H . . 5.440 4.575 4.463 4.724 . 0 0 "[ . 1 . ]" 1
1671 1 234 ILE MG 1 238 TYR QD . . 4.780 4.105 3.631 4.385 . 0 0 "[ . 1 . ]" 1
1672 1 235 GLN H 1 235 GLN QG . . 3.390 2.461 2.305 2.756 . 0 0 "[ . 1 . ]" 1
1673 1 235 GLN H 1 235 GLN HG2 . . 4.080 3.264 2.362 3.927 . 0 0 "[ . 1 . ]" 1
1674 1 235 GLN H 1 235 GLN HG3 . . 4.080 2.748 2.383 3.627 . 0 0 "[ . 1 . ]" 1
1675 1 235 GLN H 1 236 LYS H . . 3.060 2.767 2.672 2.850 . 0 0 "[ . 1 . ]" 1
1676 1 235 GLN H 1 237 LEU H . . 4.170 4.395 4.252 4.566 0.396 5 0 "[ . 1 . ]" 1
1677 1 236 LYS H 1 236 LYS QB . . 3.200 2.325 2.260 2.380 . 0 0 "[ . 1 . ]" 1
1678 1 236 LYS H 1 236 LYS HB2 . . 3.650 3.575 3.348 3.661 0.011 12 0 "[ . 1 . ]" 1
1679 1 236 LYS H 1 236 LYS HB3 . . 3.650 2.356 2.298 2.411 . 0 0 "[ . 1 . ]" 1
1680 1 236 LYS H 1 236 LYS QG . . 3.720 3.253 2.727 4.088 0.368 15 0 "[ . 1 . ]" 1
1681 1 236 LYS H 1 237 LEU H . . 3.030 2.856 2.717 2.942 . 0 0 "[ . 1 . ]" 1
1682 1 236 LYS H 1 238 TYR H . . 4.170 4.447 4.167 4.724 0.554 3 1 "[ + . 1 . ]" 1
1683 1 236 LYS HA 1 236 LYS QD . . 3.620 3.730 3.500 3.967 0.347 8 0 "[ . 1 . ]" 1
1684 1 236 LYS HA 1 236 LYS QG . . 3.570 3.433 3.177 3.572 0.002 5 0 "[ . 1 . ]" 1
1685 1 236 LYS QE 1 237 LEU QB . . 1.800 2.278 2.168 2.538 0.738 8 5 "[ * ** + 1 - . ]" 1
1686 1 236 LYS QG 1 237 LEU H . . 3.310 2.781 2.295 3.811 0.501 3 1 "[ + . 1 . ]" 1
1687 1 237 LEU H 1 237 LEU QB . . 3.110 2.300 2.243 2.346 . 0 0 "[ . 1 . ]" 1
1688 1 237 LEU H 1 237 LEU HB2 . . 3.590 2.518 2.399 2.606 . 0 0 "[ . 1 . ]" 1
1689 1 237 LEU H 1 237 LEU HB3 . . 3.590 2.676 2.536 2.893 . 0 0 "[ . 1 . ]" 1
1690 1 237 LEU H 1 237 LEU HG . . 4.880 4.512 4.429 4.566 . 0 0 "[ . 1 . ]" 1
1691 1 237 LEU H 1 238 TYR H . . 2.910 2.398 2.335 2.493 . 0 0 "[ . 1 . ]" 1
1692 1 237 LEU H 1 238 TYR QD . . 4.330 4.151 3.649 4.536 0.206 6 0 "[ . 1 . ]" 1
1693 1 237 LEU QB 1 238 TYR H . . 3.670 2.728 2.502 2.977 . 0 0 "[ . 1 . ]" 1
1694 1 237 LEU QB 1 238 TYR QD . . 4.330 3.200 2.530 3.636 . 0 0 "[ . 1 . ]" 1
1695 1 237 LEU QB 1 238 TYR QE . . 4.790 4.310 3.228 4.900 0.110 6 0 "[ . 1 . ]" 1
1696 1 237 LEU HB2 1 238 TYR H . . 4.240 3.865 3.722 4.063 . 0 0 "[ . 1 . ]" 1
1697 1 237 LEU HB2 1 238 TYR QD . . 5.050 4.816 4.179 5.253 0.203 5 0 "[ . 1 . ]" 1
1698 1 237 LEU HB3 1 238 TYR H . . 4.240 2.790 2.539 3.062 . 0 0 "[ . 1 . ]" 1
1699 1 237 LEU HB3 1 238 TYR QD . . 5.050 3.250 2.551 3.707 . 0 0 "[ . 1 . ]" 1
1700 1 237 LEU HG 1 238 TYR H . . 4.920 4.953 4.643 5.179 0.259 10 0 "[ . 1 . ]" 1
1701 1 238 TYR H 1 238 TYR HB2 . . 4.090 2.410 2.361 2.538 . 0 0 "[ . 1 . ]" 1
1702 1 238 TYR H 1 238 TYR HB3 . . 4.090 3.643 3.616 3.715 . 0 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 23
_Distance_constraint_stats_list.Viol_count 332
_Distance_constraint_stats_list.Viol_total 1717.145
_Distance_constraint_stats_list.Viol_max 1.477
_Distance_constraint_stats_list.Viol_rms 0.2035
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2916
_Distance_constraint_stats_list.Viol_average_violations_only 0.3233
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 67 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 133 ASP 3.429 0.287 6 0 "[ . 1 . ]"
1 143 HIS 9.170 0.785 6 1 "[ .+ 1 . ]"
1 145 ASP 6.412 1.053 6 1 "[ .+ 1 . ]"
1 150 ASP 8.286 0.640 6 15 "[**-**+** *******]"
1 151 GLY 10.081 0.763 6 16 [*****+*********-]
1 153 GLY 8.248 0.532 5 14 "[****+ ***-***** ]"
1 155 THR 3.775 0.408 6 0 "[ . 1 . ]"
1 158 HIS 9.464 1.477 6 1 "[ .+ 1 . ]"
1 165 GLY 3.529 0.298 6 0 "[ . 1 . ]"
1 167 GLY 6.548 0.601 6 1 "[ .+ 1 . ]"
1 169 ASP 2.433 0.419 9 0 "[ . 1 . ]"
1 171 HIS 9.268 1.159 6 16 [*****+****-*****]
1 173 ASP 4.565 1.000 6 1 "[ .+ 1 . ]"
1 176 GLU 3.764 0.444 6 0 "[ . 1 . ]"
1 198 HIS 8.991 1.161 6 1 "[ .+ 1 . ]"
1 204 HIS 9.359 0.861 6 1 "[ .+ 1 . ]"
2 1 CA 15.939 0.601 6 1 "[ .+ 1 . ]"
3 1 CA 38.718 1.000 6 16 [**-**+**********]
4 1 ZN 34.315 1.477 6 16 [*****+****-*****]
5 1 ZN 18.349 1.161 6 1 "[ .+ 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 167 GLY O 2 1 CA CA . . 2.200 2.609 2.579 2.801 0.601 6 1 "[ .+ 1 . ]" 2
2 1 133 ASP O 2 1 CA CA . . 2.200 2.414 2.390 2.487 0.287 6 0 "[ . 1 . ]" 2
3 1 169 ASP OD1 2 1 CA CA . . 2.400 2.421 2.405 2.558 0.158 6 0 "[ . 1 . ]" 2
4 1 169 ASP OD2 2 1 CA CA . . 3.600 3.659 3.048 4.019 0.419 9 0 "[ . 1 . ]" 2
5 1 165 GLY O 2 1 CA CA . . 2.200 2.421 2.404 2.498 0.298 6 0 "[ . 1 . ]" 2
6 1 155 THR O 3 1 CA CA . . 2.200 2.436 2.402 2.608 0.408 6 0 "[ . 1 . ]" 2
7 1 176 GLU OE2 3 1 CA CA . . 2.200 2.435 2.413 2.644 0.444 6 0 "[ . 1 . ]" 2
8 1 173 ASP OD2 3 1 CA CA . . 2.200 2.485 2.421 3.200 1.000 6 1 "[ .+ 1 . ]" 2
9 1 151 GLY O 3 1 CA CA . . 1.800 2.430 2.396 2.563 0.763 6 16 [*****+*********-] 2
10 1 150 ASP OD1 3 1 CA CA . . 2.200 2.718 2.700 2.840 0.640 6 15 "[**-**+** *******]" 2
11 1 153 GLY O 3 1 CA CA . . 2.200 2.716 2.664 2.732 0.532 5 14 "[****+ ***-***** ]" 2
12 1 158 HIS NE2 4 1 ZN ZN . . 1.944 2.332 2.247 3.421 1.477 6 1 "[ .+ 1 . ]" 2
13 1 158 HIS CG 4 1 ZN ZN . . 4.010 4.214 4.173 4.444 0.434 6 0 "[ . 1 . ]" 2
14 1 171 HIS ND1 4 1 ZN ZN . . 1.944 2.495 2.451 3.103 1.159 6 16 [*****+****-*****] 2
15 1 171 HIS CG 4 1 ZN ZN . . 4.010 3.926 3.884 4.456 0.446 6 0 "[ . 1 . ]" 2
16 1 145 ASP OD2 4 1 ZN ZN . . 1.900 2.301 2.255 2.953 1.053 6 1 "[ .+ 1 . ]" 2
17 1 143 HIS NE2 4 1 ZN ZN . . 1.944 2.278 2.236 2.704 0.760 6 1 "[ .+ 1 . ]" 2
18 1 143 HIS CG 4 1 ZN ZN . . 4.010 4.249 4.191 4.795 0.785 6 1 "[ .+ 1 . ]" 2
19 1 204 HIS NE2 5 1 ZN ZN . . 1.944 2.293 2.210 2.776 0.832 6 1 "[ .+ 1 . ]" 2
20 1 204 HIS CG 5 1 ZN ZN . . 4.010 4.246 4.183 4.871 0.861 6 1 "[ .+ 1 . ]" 2
21 1 198 HIS NE2 5 1 ZN ZN . . 1.944 2.295 2.221 3.105 1.161 6 1 "[ .+ 1 . ]" 2
22 1 198 HIS CG 5 1 ZN ZN . . 4.010 4.221 4.172 4.318 0.308 6 0 "[ . 1 . ]" 2
23 1 67 CYS SG 5 1 ZN ZN . . 3.500 2.559 2.488 3.440 . 0 0 "[ . 1 . ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 13
_Distance_constraint_stats_list.Viol_count 45
_Distance_constraint_stats_list.Viol_total 415.046
_Distance_constraint_stats_list.Viol_max 1.431
_Distance_constraint_stats_list.Viol_rms 0.2854
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1247
_Distance_constraint_stats_list.Viol_average_violations_only 0.5765
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLU 5.737 1.010 2 6 "[ + *. * 1 *- * ]"
1 4 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 5 GLY 0.060 0.060 12 0 "[ . 1 . ]"
1 6 GLY 13.268 1.431 12 14 "[**-** ****+****]"
1 7 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 33 ASN 3.892 0.671 11 5 "[ * * -1+ * ]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 76 SER 2.306 0.687 3 2 "[ + . 1- . ]"
1 77 LEU 0.677 0.452 11 0 "[ . 1 . ]"
6 1 SGN 25.940 1.431 12 15 "[***** **-**+****]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLU N 6 1 SGN C1 . . 18.570 18.758 17.694 19.580 1.010 2 6 "[ + *. * 1 *- * ]" 3
2 1 4 ALA N 6 1 SGN C1 . . 17.760 16.211 15.201 17.407 . 0 0 "[ . 1 . ]" 3
3 1 5 GLY N 6 1 SGN C1 . . 15.890 15.448 15.023 15.950 0.060 12 0 "[ . 1 . ]" 3
4 1 6 GLY N 6 1 SGN C1 . . 16.440 17.269 16.808 17.871 1.431 12 14 "[**-** ****+****]" 3
5 1 7 MET N 6 1 SGN C1 . . 18.700 16.605 15.838 17.182 . 0 0 "[ . 1 . ]" 3
6 1 8 SER N 6 1 SGN C1 . . 18.150 16.032 15.071 16.943 . 0 0 "[ . 1 . ]" 3
7 1 9 GLU N 6 1 SGN C1 . . 17.720 14.661 13.247 16.371 . 0 0 "[ . 1 . ]" 3
8 1 28 GLU N 6 1 SGN C1 . . 18.920 11.282 8.128 14.458 . 0 0 "[ . 1 . ]" 3
9 1 30 LYS N 6 1 SGN C1 . . 16.260 10.073 7.483 12.888 . 0 0 "[ . 1 . ]" 3
10 1 33 ASN N 6 1 SGN C1 . . 16.000 15.445 13.364 16.671 0.671 11 5 "[ * * -1+ * ]" 3
11 1 34 SER N 6 1 SGN C1 . . 18.300 15.142 12.764 16.709 . 0 0 "[ . 1 . ]" 3
12 1 76 SER N 6 1 SGN C1 . . 17.050 17.015 15.815 17.737 0.687 3 2 "[ + . 1- . ]" 3
13 1 77 LEU N 6 1 SGN C1 . . 18.520 18.094 16.710 18.972 0.452 11 0 "[ . 1 . ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 401
_Distance_constraint_stats_list.Viol_count 844
_Distance_constraint_stats_list.Viol_total 3536.253
_Distance_constraint_stats_list.Viol_max 1.298
_Distance_constraint_stats_list.Viol_rms 0.1174
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0344
_Distance_constraint_stats_list.Viol_average_violations_only 0.2619
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 10 LEU 0.883 0.223 10 0 "[ . 1 . ]"
1 12 TRP 0.874 0.346 7 0 "[ . 1 . ]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 16 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 19 LEU 1.793 0.521 8 1 "[ . + 1 . ]"
1 23 TYR 1.435 0.276 11 0 "[ . 1 . ]"
1 24 LEU 15.850 0.665 15 8 "[ * *.* * ** +-]"
1 25 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 35 LEU 3.171 0.652 10 1 "[ . + . ]"
1 39 LEU 3.841 0.652 10 1 "[ . + . ]"
1 42 MET 1.841 0.521 8 1 "[ . + 1 . ]"
1 43 GLN 6.076 0.690 5 3 "[ + * 1 - ]"
1 46 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 48 LEU 17.107 0.690 5 3 "[ + * 1 - ]"
1 54 LEU 7.553 0.919 6 7 "[ *.+ *-** * . ]"
1 55 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 56 SER 10.594 0.919 6 7 "[ *.+ *-** * . ]"
1 57 ARG 0.327 0.327 15 0 "[ . 1 . ]"
1 58 VAL 10.785 0.682 9 4 "[ - .* +1 * . ]"
1 59 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 62 MET 1.227 0.546 3 1 "[ + . 1 . ]"
1 65 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 66 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 68 GLY 0.055 0.055 13 0 "[ . 1 . ]"
1 69 VAL 4.370 0.748 12 4 "[- . * *1 + . ]"
1 70 PRO 0.532 0.311 10 0 "[ . 1 . ]"
1 71 ASP 0.416 0.225 2 0 "[ . 1 . ]"
1 72 VAL 14.532 0.665 15 8 "[ * *.* * ** +-]"
1 73 ALA 0.284 0.234 11 0 "[ . 1 . ]"
1 82 PRO 0.871 0.355 14 0 "[ . 1 . ]"
1 83 LYS 5.279 0.516 5 1 "[ + 1 . ]"
1 84 TRP 1.772 0.240 10 0 "[ . 1 . ]"
1 86 SER 3.689 0.774 2 4 "[ + * * 1 - ]"
1 88 VAL 0.636 0.185 7 0 "[ . 1 . ]"
1 89 VAL 6.956 0.774 2 4 "[ + * * 1 - ]"
1 90 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 91 TYR 2.088 0.374 9 0 "[ . 1 . ]"
1 92 ARG 2.263 0.303 11 0 "[ . 1 . ]"
1 93 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 94 VAL 12.598 0.874 12 16 [*******-***+****]
1 95 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 97 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 100 LEU 4.907 0.271 8 0 "[ . 1 . ]"
1 102 HIS 6.400 0.395 12 0 "[ . 1 . ]"
1 104 THR 7.309 0.447 9 0 "[ . 1 . ]"
1 105 VAL 22.354 0.713 7 5 "[ - . + *1 * *. ]"
1 106 ASP 0.100 0.046 5 0 "[ . 1 . ]"
1 107 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 108 LEU 19.641 1.298 4 16 [***+***********-]
1 109 VAL 0.495 0.277 16 0 "[ . 1 . ]"
1 110 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 111 LYS 32.475 1.298 4 16 [***+*****-******]
1 112 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 113 LEU 12.988 0.728 5 1 "[ + 1 . ]"
1 115 MET 1.275 0.663 6 1 "[ .+ 1 . ]"
1 116 TRP 2.486 0.344 13 0 "[ . 1 . ]"
1 117 GLY 0.507 0.466 13 0 "[ . 1 . ]"
1 119 GLU 3.211 0.566 16 2 "[ . 1- .+]"
1 120 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 122 LEU 16.717 0.577 4 6 "[ * +.** 1 *-]"
1 123 HIS 12.784 0.577 4 6 "[ * +.** 1 *-]"
1 124 PHE 3.762 0.409 14 0 "[ . 1 . ]"
1 125 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 126 LYS 4.393 0.331 11 0 "[ . 1 . ]"
1 127 VAL 2.827 0.303 11 0 "[ . 1 . ]"
1 128 VAL 11.726 0.431 10 0 "[ . 1 . ]"
1 129 TRP 6.769 0.431 10 0 "[ . 1 . ]"
1 132 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 133 ASP 0.032 0.032 7 0 "[ . 1 . ]"
1 134 ILE 2.058 0.388 10 0 "[ . 1 . ]"
1 135 MET 12.598 0.874 12 16 [*******-***+****]
1 136 ILE 6.297 0.439 8 0 "[ . 1 . ]"
1 137 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 138 PHE 7.064 0.713 7 5 "[ - . + *1 * *. ]"
1 156 LEU 2.547 0.295 10 0 "[ . 1 . ]"
1 158 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 159 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 160 PHE 4.370 0.748 12 4 "[- . * *1 + . ]"
1 166 LEU 0.159 0.159 11 0 "[ . 1 . ]"
1 167 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 169 ASP 0.159 0.159 11 0 "[ . 1 . ]"
1 170 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 173 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 176 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 177 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 178 TRP 0.000 0.000 . 0 "[ . 1 . ]"
1 179 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 180 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 184 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 186 ILE 2.492 0.295 10 0 "[ . 1 . ]"
1 188 PHE 0.898 0.190 16 0 "[ . 1 . ]"
1 189 LEU 13.434 0.675 4 6 "[** +. * - * . ]"
1 190 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 191 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 192 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 193 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 194 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 195 ALA 0.649 0.184 3 0 "[ . 1 . ]"
1 196 LEU 3.993 0.728 5 1 "[ + 1 . ]"
1 197 GLY 0.031 0.031 10 0 "[ . 1 . ]"
1 198 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 199 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 200 LEU 14.796 0.470 6 0 "[ . 1 . ]"
1 201 GLY 2.295 0.285 9 0 "[ . 1 . ]"
1 202 MET 10.341 0.494 10 0 "[ . 1 . ]"
1 210 ALA 0.075 0.063 11 0 "[ . 1 . ]"
1 211 VAL 0.794 0.184 3 0 "[ . 1 . ]"
1 212 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 216 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 224 PHE 0.652 0.398 6 0 "[ . 1 . ]"
1 226 LEU 9.003 0.663 6 3 "[ .+ 1- .*]"
1 227 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 231 ILE 0.235 0.198 3 0 "[ . 1 . ]"
1 234 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 237 LEU 6.150 0.516 5 1 "[ + 1 . ]"
1 238 TYR 3.036 0.467 9 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 LEU H 1 10 LEU QD . . 3.630 3.309 2.216 3.853 0.223 10 0 "[ . 1 . ]" 4
2 1 12 TRP HE1 1 54 LEU QD . . 5.480 5.042 4.488 5.595 0.115 12 0 "[ . 1 . ]" 4
3 1 12 TRP HH2 1 39 LEU MD1 . . 5.550 4.845 3.629 5.896 0.346 7 0 "[ . 1 . ]" 4
4 1 15 ALA MB 1 54 LEU QD . . 4.220 2.493 2.099 3.116 . 0 0 "[ . 1 . ]" 4
5 1 16 GLN H 1 54 LEU QD . . 5.220 3.855 3.220 4.531 . 0 0 "[ . 1 . ]" 4
6 1 19 LEU H 1 19 LEU MD2 . . 4.670 4.182 4.039 4.440 . 0 0 "[ . 1 . ]" 4
7 1 19 LEU HB2 1 19 LEU MD1 . . 3.520 3.096 2.254 3.320 . 0 0 "[ . 1 . ]" 4
8 1 19 LEU HB3 1 19 LEU MD1 . . 3.520 2.400 2.306 2.557 . 0 0 "[ . 1 . ]" 4
9 1 19 LEU MD1 1 42 MET ME . . 5.260 4.266 2.369 5.537 0.277 9 0 "[ . 1 . ]" 4
10 1 19 LEU MD1 1 62 MET ME . . 5.860 4.338 2.538 5.280 . 0 0 "[ . 1 . ]" 4
11 1 19 LEU MD1 1 42 MET HG2 . . 5.490 4.977 3.364 6.011 0.521 8 1 "[ . + 1 . ]" 4
12 1 19 LEU MD1 1 42 MET HG3 . . 5.490 3.794 2.408 4.778 . 0 0 "[ . 1 . ]" 4
13 1 19 LEU MD2 1 42 MET ME . . 6.500 2.604 2.126 3.680 . 0 0 "[ . 1 . ]" 4
14 1 19 LEU MD2 1 46 PHE QE . . 5.180 3.439 2.737 4.151 . 0 0 "[ . 1 . ]" 4
15 1 23 TYR H 1 72 VAL MG2 . . 4.700 4.755 4.536 4.976 0.276 11 0 "[ . 1 . ]" 4
16 1 23 TYR QB 1 72 VAL MG2 . . 4.540 2.427 2.100 3.153 . 0 0 "[ . 1 . ]" 4
17 1 24 LEU H 1 24 LEU QD . . 3.920 3.709 2.306 4.058 0.138 10 0 "[ . 1 . ]" 4
18 1 24 LEU H 1 24 LEU MD2 . . 4.060 4.044 2.312 4.476 0.416 7 0 "[ . 1 . ]" 4
19 1 24 LEU H 1 72 VAL MG2 . . 3.930 4.033 3.659 4.595 0.665 15 1 "[ . 1 + ]" 4
20 1 24 LEU HA 1 24 LEU MD2 . . 3.560 2.310 2.191 2.809 . 0 0 "[ . 1 . ]" 4
21 1 24 LEU HB2 1 24 LEU MD1 . . 3.520 2.338 2.277 2.374 . 0 0 "[ . 1 . ]" 4
22 1 24 LEU HB2 1 24 LEU MD2 . . 3.520 3.311 3.286 3.336 . 0 0 "[ . 1 . ]" 4
23 1 24 LEU HB3 1 24 LEU MD1 . . 3.520 2.413 2.306 2.493 . 0 0 "[ . 1 . ]" 4
24 1 24 LEU HB3 1 24 LEU MD2 . . 3.520 2.444 2.387 2.562 . 0 0 "[ . 1 . ]" 4
25 1 24 LEU MD2 1 72 VAL HB . . 4.670 4.263 2.476 5.235 0.565 8 2 "[ . + 1 .-]" 4
26 1 24 LEU MD2 1 70 PRO QG . . 3.220 3.034 2.455 3.531 0.311 10 0 "[ . 1 . ]" 4
27 1 24 LEU MD2 1 25 TYR H . . 4.800 3.504 2.708 4.588 . 0 0 "[ . 1 . ]" 4
28 1 24 LEU HG 1 72 VAL MG1 . . 4.170 4.607 4.259 4.804 0.634 2 5 "[ + *.* -* . ]" 4
29 1 24 LEU HG 1 72 VAL MG2 . . 4.140 2.312 2.148 2.884 . 0 0 "[ . 1 . ]" 4
30 1 35 LEU H 1 39 LEU MD2 . . 6.000 6.031 5.585 6.652 0.652 10 1 "[ . + . ]" 4
31 1 35 LEU HA 1 39 LEU MD1 . . 4.840 3.991 2.829 5.224 0.384 11 0 "[ . 1 . ]" 4
32 1 39 LEU H 1 39 LEU MD2 . . 4.420 3.397 2.717 3.885 . 0 0 "[ . 1 . ]" 4
33 1 39 LEU MD1 1 54 LEU QD . . 3.710 2.242 1.977 2.776 . 0 0 "[ . 1 . ]" 4
34 1 42 MET ME 1 48 LEU MD2 . . 4.180 3.096 2.180 4.229 0.049 4 0 "[ . 1 . ]" 4
35 1 42 MET ME 1 58 VAL MG2 . . 4.710 3.656 2.160 4.216 . 0 0 "[ . 1 . ]" 4
36 1 43 GLN H 1 48 LEU MD1 . . 4.640 4.568 4.139 5.032 0.392 3 0 "[ . 1 . ]" 4
37 1 43 GLN HA 1 48 LEU MD2 . . 4.460 3.174 2.977 3.432 . 0 0 "[ . 1 . ]" 4
38 1 43 GLN HA 1 48 LEU MD1 . . 5.020 2.703 2.397 3.216 . 0 0 "[ . 1 . ]" 4
39 1 43 GLN HB3 1 48 LEU MD2 . . 3.980 4.276 3.876 4.670 0.690 5 3 "[ + * 1 - ]" 4
40 1 43 GLN HB3 1 48 LEU MD1 . . 5.520 2.357 2.254 2.600 . 0 0 "[ . 1 . ]" 4
41 1 43 GLN QE 1 58 VAL MG2 . . 4.080 2.536 2.124 3.651 . 0 0 "[ . 1 . ]" 4
42 1 43 GLN HE21 1 58 VAL MG2 . . 3.960 3.140 2.307 3.955 . 0 0 "[ . 1 . ]" 4
43 1 43 GLN HE22 1 58 VAL MG2 . . 3.960 3.044 2.151 4.288 0.328 4 0 "[ . 1 . ]" 4
44 1 43 GLN QG 1 48 LEU MD1 . . 4.650 2.575 2.035 3.135 . 0 0 "[ . 1 . ]" 4
45 1 46 PHE H 1 48 LEU MD2 . . 4.800 4.479 4.256 4.659 . 0 0 "[ . 1 . ]" 4
46 1 46 PHE QB 1 48 LEU MD1 . . 4.930 3.750 3.424 3.989 . 0 0 "[ . 1 . ]" 4
47 1 47 GLY H 1 48 LEU MD1 . . 5.120 4.705 4.321 4.998 . 0 0 "[ . 1 . ]" 4
48 1 47 GLY H 1 48 LEU MD2 . . 5.310 4.437 3.883 4.740 . 0 0 "[ . 1 . ]" 4
49 1 48 LEU H 1 48 LEU MD1 . . 4.720 3.915 3.829 3.963 . 0 0 "[ . 1 . ]" 4
50 1 48 LEU H 1 48 LEU MD2 . . 3.900 3.055 2.837 3.257 . 0 0 "[ . 1 . ]" 4
51 1 48 LEU QB 1 48 LEU QD . . 1.570 1.966 1.954 1.981 0.411 6 0 "[ . 1 . ]" 4
52 1 48 LEU HB2 1 48 LEU MD2 . . 3.520 2.783 2.698 2.889 . 0 0 "[ . 1 . ]" 4
53 1 48 LEU HB2 1 48 LEU MD1 . . 3.520 2.315 2.287 2.330 . 0 0 "[ . 1 . ]" 4
54 1 48 LEU HB3 1 48 LEU MD1 . . 3.520 3.203 3.167 3.229 . 0 0 "[ . 1 . ]" 4
55 1 48 LEU MD1 1 58 VAL MG2 . . 3.670 2.143 2.023 2.401 . 0 0 "[ . 1 . ]" 4
56 1 48 LEU MD1 1 58 VAL HB . . 4.400 4.703 4.490 4.885 0.485 6 0 "[ . 1 . ]" 4
57 1 48 LEU MD2 1 58 VAL HA . . 4.040 2.658 2.429 2.961 . 0 0 "[ . 1 . ]" 4
58 1 48 LEU MD2 1 61 ILE HB . . 5.150 4.392 4.147 4.787 . 0 0 "[ . 1 . ]" 4
59 1 48 LEU MD2 1 61 ILE MD . . 4.840 2.258 1.877 4.426 . 0 0 "[ . 1 . ]" 4
60 1 48 LEU MD2 1 58 VAL MG2 . . 4.190 2.544 2.262 3.145 . 0 0 "[ . 1 . ]" 4
61 1 48 LEU MD2 1 58 VAL H . . 4.530 4.090 3.792 4.306 . 0 0 "[ . 1 . ]" 4
62 1 54 LEU H 1 58 VAL MG2 . . 4.790 4.485 4.091 4.967 0.177 14 0 "[ . 1 . ]" 4
63 1 54 LEU HA 1 58 VAL MG2 . . 4.340 3.166 2.541 3.607 . 0 0 "[ . 1 . ]" 4
64 1 54 LEU QD 1 58 VAL H . . 5.940 5.179 4.572 5.458 . 0 0 "[ . 1 . ]" 4
65 1 54 LEU QD 1 62 MET ME . . 4.590 2.235 1.895 2.722 . 0 0 "[ . 1 . ]" 4
66 1 54 LEU QD 1 59 ILE MD . . 4.880 2.433 2.014 3.559 . 0 0 "[ . 1 . ]" 4
67 1 54 LEU QD 1 58 VAL MG1 . . 3.750 2.319 1.962 3.186 . 0 0 "[ . 1 . ]" 4
68 1 54 LEU QD 1 59 ILE QG . . 3.220 2.315 2.106 2.927 . 0 0 "[ . 1 . ]" 4
69 1 54 LEU QD 1 55 ASN H . . 4.440 3.398 2.819 3.916 . 0 0 "[ . 1 . ]" 4
70 1 54 LEU QD 1 56 SER H . . 4.870 5.294 4.660 5.789 0.919 6 7 "[ *.+ *-** * . ]" 4
71 1 54 LEU QD 1 59 ILE MG . . 5.910 4.119 3.690 4.482 . 0 0 "[ . 1 . ]" 4
72 1 55 ASN H 1 58 VAL MG2 . . 4.340 3.785 3.492 4.132 . 0 0 "[ . 1 . ]" 4
73 1 55 ASN H 1 58 VAL MG1 . . 4.340 4.002 3.650 4.322 . 0 0 "[ . 1 . ]" 4
74 1 56 SER H 1 58 VAL MG2 . . 4.230 4.377 3.870 4.912 0.682 9 3 "[ .- +1 * . ]" 4
75 1 57 ARG H 1 58 VAL MG2 . . 4.830 4.014 3.700 4.510 . 0 0 "[ . 1 . ]" 4
76 1 57 ARG QB 1 58 VAL MG2 . . 4.170 3.471 2.776 4.497 0.327 15 0 "[ . 1 . ]" 4
77 1 58 VAL H 1 58 VAL MG2 . . 3.160 2.215 2.131 2.349 . 0 0 "[ . 1 . ]" 4
78 1 58 VAL HA 1 58 VAL MG2 . . 3.690 2.422 2.339 2.489 . 0 0 "[ . 1 . ]" 4
79 1 48 LEU MD1 1 58 VAL HA . . 4.080 3.803 3.432 4.210 0.130 7 0 "[ . 1 . ]" 4
80 1 58 VAL QG 1 59 ILE H . . 4.200 3.235 2.847 3.430 . 0 0 "[ . 1 . ]" 4
81 1 58 VAL MG1 1 62 MET ME . . 4.050 3.363 2.272 4.596 0.546 3 1 "[ + . 1 . ]" 4
82 1 58 VAL MG2 1 59 ILE H . . 4.240 3.962 3.821 4.187 . 0 0 "[ . 1 . ]" 4
83 1 65 PRO QB 1 156 LEU QD . . 3.820 2.475 2.156 2.838 . 0 0 "[ . 1 . ]" 4
84 1 65 PRO HB2 1 156 LEU QD . . 4.340 2.517 2.177 2.904 . 0 0 "[ . 1 . ]" 4
85 1 65 PRO HB3 1 156 LEU QD . . 4.340 3.666 3.328 4.119 . 0 0 "[ . 1 . ]" 4
86 1 66 ARG H 1 156 LEU QD . . 4.450 3.108 2.732 3.464 . 0 0 "[ . 1 . ]" 4
87 1 68 GLY H 1 69 VAL QG . . 5.310 2.761 2.266 4.623 . 0 0 "[ . 1 . ]" 4
88 1 68 GLY H 1 156 LEU QD . . 5.310 5.189 5.075 5.365 0.055 13 0 "[ . 1 . ]" 4
89 1 69 VAL H 1 69 VAL QG . . 3.920 2.455 2.264 3.013 . 0 0 "[ . 1 . ]" 4
90 1 69 VAL QG 1 160 PHE QE . . 4.870 4.652 2.252 5.618 0.748 12 4 "[- . * *1 + . ]" 4
91 1 69 VAL QG 1 70 PRO QD . . 2.740 2.186 2.063 2.418 . 0 0 "[ . 1 . ]" 4
92 1 69 VAL QG 1 159 ALA H . . 4.580 2.217 1.986 2.956 . 0 0 "[ . 1 . ]" 4
93 1 69 VAL QG 1 198 HIS HD2 . . 4.740 2.754 2.302 3.781 . 0 0 "[ . 1 . ]" 4
94 1 69 VAL QG 1 158 HIS HB2 . . 4.900 3.278 2.222 3.883 . 0 0 "[ . 1 . ]" 4
95 1 69 VAL QG 1 158 HIS HA . . 4.170 2.395 2.203 3.020 . 0 0 "[ . 1 . ]" 4
96 1 69 VAL QG 1 158 HIS HB3 . . 4.680 3.932 3.060 4.390 . 0 0 "[ . 1 . ]" 4
97 1 69 VAL QG 1 158 HIS H . . 5.120 4.564 4.337 5.018 . 0 0 "[ . 1 . ]" 4
98 1 71 ASP H 1 72 VAL MG2 . . 3.730 3.043 2.441 3.678 . 0 0 "[ . 1 . ]" 4
99 1 71 ASP H 1 72 VAL MG1 . . 4.930 4.467 2.840 5.155 0.225 2 0 "[ . 1 . ]" 4
100 1 72 VAL H 1 72 VAL MG2 . . 3.410 2.417 2.112 2.593 . 0 0 "[ . 1 . ]" 4
101 1 72 VAL H 1 72 VAL MG1 . . 3.720 3.616 2.801 4.003 0.283 1 0 "[ . 1 . ]" 4
102 1 72 VAL MG1 1 73 ALA H . . 4.260 3.306 2.762 4.095 . 0 0 "[ . 1 . ]" 4
103 1 72 VAL MG2 1 73 ALA HA . . 4.870 4.471 3.360 4.920 0.050 1 0 "[ . 1 . ]" 4
104 1 72 VAL MG2 1 73 ALA H . . 4.260 3.873 2.588 4.494 0.234 11 0 "[ . 1 . ]" 4
105 1 82 PRO HG2 1 237 LEU QD . . 4.050 2.858 2.301 3.554 . 0 0 "[ . 1 . ]" 4
106 1 82 PRO HG3 1 237 LEU QD . . 4.050 3.058 2.425 4.405 0.355 14 0 "[ . 1 . ]" 4
107 1 83 LYS HB2 1 237 LEU QD . . 4.020 3.648 2.322 4.536 0.516 5 1 "[ + 1 . ]" 4
108 1 83 LYS HB3 1 237 LEU QD . . 4.020 4.086 3.235 4.475 0.455 5 0 "[ . 1 . ]" 4
109 1 83 LYS QD 1 237 LEU QD . . 3.530 2.083 1.928 2.386 . 0 0 "[ . 1 . ]" 4
110 1 84 TRP H 1 122 LEU MD1 . . 4.470 3.665 3.428 3.933 . 0 0 "[ . 1 . ]" 4
111 1 84 TRP QB 1 89 VAL MG2 . . 3.460 2.529 2.221 2.779 . 0 0 "[ . 1 . ]" 4
112 1 84 TRP HB2 1 89 VAL MG2 . . 4.020 3.410 2.900 3.875 . 0 0 "[ . 1 . ]" 4
113 1 84 TRP HB2 1 122 LEU MD1 . . 3.520 2.221 2.076 2.355 . 0 0 "[ . 1 . ]" 4
114 1 84 TRP HB3 1 122 LEU MD1 . . 3.520 3.124 2.458 3.752 0.232 4 0 "[ . 1 . ]" 4
115 1 84 TRP HB3 1 89 VAL MG2 . . 4.170 2.652 2.251 3.054 . 0 0 "[ . 1 . ]" 4
116 1 84 TRP HB3 1 122 LEU MD2 . . 4.020 3.554 3.190 4.083 0.063 11 0 "[ . 1 . ]" 4
117 1 84 TRP HD1 1 122 LEU MD1 . . 5.040 4.067 2.928 5.274 0.234 10 0 "[ . 1 . ]" 4
118 1 84 TRP HD1 1 89 VAL MG2 . . 5.320 3.740 2.690 4.734 . 0 0 "[ . 1 . ]" 4
119 1 84 TRP HD1 1 200 LEU MD2 . . 3.750 3.121 2.271 3.990 0.240 10 0 "[ . 1 . ]" 4
120 1 84 TRP HD1 1 89 VAL MG1 . . 5.320 4.353 3.550 5.134 . 0 0 "[ . 1 . ]" 4
121 1 84 TRP HE1 1 200 LEU MD2 . . 3.900 2.610 2.186 3.080 . 0 0 "[ . 1 . ]" 4
122 1 84 TRP HE1 1 89 VAL MG1 . . 4.440 3.535 2.621 4.376 . 0 0 "[ . 1 . ]" 4
123 1 84 TRP HZ2 1 89 VAL MG1 . . 5.040 3.352 2.822 3.732 . 0 0 "[ . 1 . ]" 4
124 1 86 SER H 1 89 VAL MG2 . . 4.570 3.848 3.414 4.403 . 0 0 "[ . 1 . ]" 4
125 1 86 SER HB2 1 89 VAL MG2 . . 4.030 2.660 2.089 3.475 . 0 0 "[ . 1 . ]" 4
126 1 86 SER HB3 1 89 VAL MG2 . . 4.030 3.905 3.186 4.804 0.774 2 4 "[ + * * 1 - ]" 4
127 1 88 VAL H 1 88 VAL QG . . 3.580 2.481 2.363 2.653 . 0 0 "[ . 1 . ]" 4
128 1 88 VAL H 1 89 VAL MG2 . . 4.190 3.971 3.408 4.375 0.185 7 0 "[ . 1 . ]" 4
129 1 88 VAL QG 1 123 HIS HD2 . . 5.280 2.431 2.211 2.674 . 0 0 "[ . 1 . ]" 4
130 1 88 VAL QG 1 125 ARG QB . . 2.750 2.116 2.023 2.306 . 0 0 "[ . 1 . ]" 4
131 1 88 VAL QG 1 125 ARG QD . . 4.340 2.770 2.256 3.068 . 0 0 "[ . 1 . ]" 4
132 1 88 VAL QG 1 90 THR MG . . 4.500 2.665 2.228 3.115 . 0 0 "[ . 1 . ]" 4
133 1 88 VAL QG 1 89 VAL HA . . 4.980 3.377 3.278 3.470 . 0 0 "[ . 1 . ]" 4
134 1 88 VAL QG 1 125 ARG H . . 4.090 3.021 2.652 3.421 . 0 0 "[ . 1 . ]" 4
135 1 88 VAL QG 1 89 VAL H . . 3.460 2.292 2.228 2.347 . 0 0 "[ . 1 . ]" 4
136 1 88 VAL QG 1 90 THR H . . 4.990 4.387 4.257 4.612 . 0 0 "[ . 1 . ]" 4
137 1 88 VAL QG 1 125 ARG HD3 . . 4.340 3.847 3.115 4.332 . 0 0 "[ . 1 . ]" 4
138 1 88 VAL QG 1 125 ARG HD2 . . 4.340 2.878 2.294 3.584 . 0 0 "[ . 1 . ]" 4
139 1 88 VAL QG 1 125 ARG HB2 . . 4.690 2.396 2.201 2.638 . 0 0 "[ . 1 . ]" 4
140 1 88 VAL QG 1 125 ARG HB3 . . 4.690 2.500 2.199 3.569 . 0 0 "[ . 1 . ]" 4
141 1 89 VAL H 1 89 VAL MG2 . . 3.710 2.838 2.689 3.009 . 0 0 "[ . 1 . ]" 4
142 1 89 VAL H 1 89 VAL MG1 . . 3.980 3.895 3.823 3.954 . 0 0 "[ . 1 . ]" 4
143 1 89 VAL MG1 1 124 PHE QD . . 4.880 4.097 3.103 4.812 . 0 0 "[ . 1 . ]" 4
144 1 89 VAL MG1 1 124 PHE QE . . 4.510 3.931 2.414 4.919 0.409 14 0 "[ . 1 . ]" 4
145 1 89 VAL MG1 1 134 ILE MD . . 4.020 2.137 1.934 2.309 . 0 0 "[ . 1 . ]" 4
146 1 89 VAL MG1 1 133 ASP QB . . 3.250 2.676 2.273 3.282 0.032 7 0 "[ . 1 . ]" 4
147 1 89 VAL MG1 1 90 THR H . . 3.390 2.308 2.184 2.477 . 0 0 "[ . 1 . ]" 4
148 1 89 VAL MG1 1 134 ILE H . . 4.350 3.851 3.641 4.154 . 0 0 "[ . 1 . ]" 4
149 1 89 VAL MG2 1 122 LEU MD1 . . 3.650 3.037 2.215 3.627 . 0 0 "[ . 1 . ]" 4
150 1 89 VAL MG2 1 124 PHE QD . . 4.880 3.858 3.097 4.442 . 0 0 "[ . 1 . ]" 4
151 1 89 VAL MG2 1 200 LEU MD2 . . 4.860 4.021 3.050 4.759 . 0 0 "[ . 1 . ]" 4
152 1 89 VAL MG2 1 90 THR H . . 4.640 4.032 3.879 4.193 . 0 0 "[ . 1 . ]" 4
153 1 89 VAL MG2 1 124 PHE QE . . 4.320 3.572 2.499 4.289 . 0 0 "[ . 1 . ]" 4
154 1 90 THR HA 1 127 VAL QG . . 4.670 3.428 3.206 3.522 . 0 0 "[ . 1 . ]" 4
155 1 90 THR HB 1 127 VAL QG . . 3.640 2.217 2.129 2.366 . 0 0 "[ . 1 . ]" 4
156 1 90 THR MG 1 127 VAL QG . . 4.380 2.964 2.194 3.611 . 0 0 "[ . 1 . ]" 4
157 1 91 TYR H 1 127 VAL QG . . 4.230 2.170 2.103 2.241 . 0 0 "[ . 1 . ]" 4
158 1 91 TYR HA 1 127 VAL QG . . 4.540 3.672 3.567 3.736 . 0 0 "[ . 1 . ]" 4
159 1 91 TYR HB2 1 113 LEU MD2 . . 4.820 3.698 3.289 4.203 . 0 0 "[ . 1 . ]" 4
160 1 91 TYR HB2 1 113 LEU MD1 . . 4.820 4.180 3.160 5.063 0.243 11 0 "[ . 1 . ]" 4
161 1 91 TYR HB2 1 109 VAL QG . . 4.390 3.307 3.056 3.517 . 0 0 "[ . 1 . ]" 4
162 1 91 TYR HB3 1 113 LEU MD1 . . 5.620 3.460 2.378 4.339 . 0 0 "[ . 1 . ]" 4
163 1 91 TYR QD 1 109 VAL QG . . 4.390 2.265 2.231 2.315 . 0 0 "[ . 1 . ]" 4
164 1 91 TYR QD 1 113 LEU MD1 . . 5.150 3.844 2.825 4.364 . 0 0 "[ . 1 . ]" 4
165 1 91 TYR QD 1 113 LEU MD2 . . 5.150 2.445 2.309 2.544 . 0 0 "[ . 1 . ]" 4
166 1 91 TYR QE 1 109 VAL QG . . 4.300 2.583 2.425 2.726 . 0 0 "[ . 1 . ]" 4
167 1 91 TYR QE 1 113 LEU MD1 . . 4.740 4.723 4.086 5.114 0.374 9 0 "[ . 1 . ]" 4
168 1 92 ARG H 1 127 VAL QG . . 4.470 3.683 3.518 3.829 . 0 0 "[ . 1 . ]" 4
169 1 92 ARG QB 1 127 VAL QG . . 3.520 2.149 2.044 2.413 . 0 0 "[ . 1 . ]" 4
170 1 92 ARG HB2 1 127 VAL QG . . 3.520 2.170 2.063 2.442 . 0 0 "[ . 1 . ]" 4
171 1 92 ARG HB3 1 127 VAL QG . . 3.520 3.469 3.331 3.760 0.240 5 0 "[ . 1 . ]" 4
172 1 92 ARG HD3 1 127 VAL QG . . 3.530 3.339 2.365 3.833 0.303 11 0 "[ . 1 . ]" 4
173 1 92 ARG HD2 1 127 VAL QG . . 3.530 2.573 2.273 3.611 0.081 12 0 "[ . 1 . ]" 4
174 1 93 ILE MD 1 105 VAL MG1 . . 4.040 2.877 2.555 3.946 . 0 0 "[ . 1 . ]" 4
175 1 93 ILE MD 1 109 VAL QG . . 3.990 1.952 1.866 2.090 . 0 0 "[ . 1 . ]" 4
176 1 93 ILE MG 1 105 VAL MG1 . . 3.880 2.427 2.153 2.784 . 0 0 "[ . 1 . ]" 4
177 1 94 VAL H 1 94 VAL QG . . 3.350 2.314 2.280 2.397 . 0 0 "[ . 1 . ]" 4
178 1 94 VAL QG 1 95 SER QB . . 3.200 2.726 2.584 2.939 . 0 0 "[ . 1 . ]" 4
179 1 94 VAL QG 1 95 SER H . . 3.600 3.206 3.166 3.242 . 0 0 "[ . 1 . ]" 4
180 1 94 VAL QG 1 137 GLY QA . . 3.250 2.744 2.631 2.866 . 0 0 "[ . 1 . ]" 4
181 1 94 VAL QG 1 135 MET ME . . 2.850 2.337 2.148 3.105 0.255 11 0 "[ . 1 . ]" 4
182 1 94 VAL QG 1 135 MET QG . . 2.690 3.454 3.341 3.564 0.874 12 16 [*******-***+****] 4
183 1 94 VAL QG 1 136 ILE H . . 4.420 2.660 2.504 2.849 . 0 0 "[ . 1 . ]" 4
184 1 94 VAL QG 1 135 MET QB . . 2.750 2.090 2.050 2.117 . 0 0 "[ . 1 . ]" 4
185 1 94 VAL QG 1 138 PHE H . . 5.030 4.269 4.112 4.553 . 0 0 "[ . 1 . ]" 4
186 1 97 THR MG 1 105 VAL MG2 . . 4.520 2.960 2.634 3.914 . 0 0 "[ . 1 . ]" 4
187 1 100 LEU H 1 105 VAL MG2 . . 4.880 4.011 3.803 4.177 . 0 0 "[ . 1 . ]" 4
188 1 100 LEU HA 1 100 LEU MD2 . . 3.900 2.916 2.271 3.806 . 0 0 "[ . 1 . ]" 4
189 1 100 LEU HB2 1 100 LEU MD1 . . 3.520 2.281 2.203 2.338 . 0 0 "[ . 1 . ]" 4
190 1 100 LEU HB2 1 105 VAL MG2 . . 4.780 2.348 2.282 2.423 . 0 0 "[ . 1 . ]" 4
191 1 100 LEU HB2 1 105 VAL MG1 . . 4.780 4.938 4.783 5.020 0.240 13 0 "[ . 1 . ]" 4
192 1 100 LEU HB3 1 100 LEU MD1 . . 3.520 2.864 2.452 3.251 . 0 0 "[ . 1 . ]" 4
193 1 100 LEU HB3 1 105 VAL MG2 . . 4.270 3.099 2.558 3.737 . 0 0 "[ . 1 . ]" 4
194 1 100 LEU MD1 1 105 VAL MG2 . . 2.670 2.523 2.333 2.880 0.210 16 0 "[ . 1 . ]" 4
195 1 100 LEU MD1 1 104 THR MG . . 3.700 3.414 2.267 3.971 0.271 8 0 "[ . 1 . ]" 4
196 1 100 LEU MD1 1 178 TRP HB3 . . 5.410 2.804 2.538 3.540 . 0 0 "[ . 1 . ]" 4
197 1 100 LEU MD1 1 178 TRP HB2 . . 5.410 3.058 2.554 3.744 . 0 0 "[ . 1 . ]" 4
198 1 100 LEU MD1 1 178 TRP QB . . 4.720 2.570 2.317 3.236 . 0 0 "[ . 1 . ]" 4
199 1 100 LEU MD1 1 105 VAL H . . 5.680 4.528 4.098 4.922 . 0 0 "[ . 1 . ]" 4
200 1 100 LEU MD1 1 188 PHE H . . 5.170 4.392 3.757 4.804 . 0 0 "[ . 1 . ]" 4
201 1 100 LEU MD2 1 104 THR MG . . 3.700 2.077 1.985 2.321 . 0 0 "[ . 1 . ]" 4
202 1 100 LEU MD2 1 104 THR HB . . 5.550 3.518 3.250 3.763 . 0 0 "[ . 1 . ]" 4
203 1 100 LEU MD2 1 179 THR HA . . 3.910 2.292 2.200 2.405 . 0 0 "[ . 1 . ]" 4
204 1 100 LEU MD2 1 180 ASP H . . 4.550 2.661 2.432 2.974 . 0 0 "[ . 1 . ]" 4
205 1 100 LEU MD2 1 188 PHE H . . 4.960 4.593 3.765 5.150 0.190 16 0 "[ . 1 . ]" 4
206 1 102 HIS HA 1 105 VAL MG1 . . 4.420 4.578 4.210 4.784 0.364 13 0 "[ . 1 . ]" 4
207 1 102 HIS HD2 1 105 VAL MG1 . . 3.780 3.933 3.513 4.163 0.383 13 0 "[ . 1 . ]" 4
208 1 102 HIS HD2 1 105 VAL MG2 . . 4.230 4.179 3.590 4.625 0.395 12 0 "[ . 1 . ]" 4
209 1 104 THR H 1 105 VAL MG2 . . 4.140 4.518 4.446 4.587 0.447 9 0 "[ . 1 . ]" 4
210 1 104 THR HA 1 108 LEU QD . . 4.960 3.268 3.107 3.568 . 0 0 "[ . 1 . ]" 4
211 1 104 THR MG 1 105 VAL MG2 . . 5.370 3.768 3.448 3.948 . 0 0 "[ . 1 . ]" 4
212 1 104 THR MG 1 105 VAL MG1 . . 5.370 5.065 4.940 5.165 . 0 0 "[ . 1 . ]" 4
213 1 104 THR MG 1 108 LEU QD . . 4.530 1.939 1.885 1.995 . 0 0 "[ . 1 . ]" 4
214 1 105 VAL H 1 105 VAL MG2 . . 2.930 2.322 2.279 2.345 . 0 0 "[ . 1 . ]" 4
215 1 105 VAL H 1 105 VAL MG1 . . 4.580 3.887 3.859 3.907 . 0 0 "[ . 1 . ]" 4
216 1 105 VAL HA 1 108 LEU QD . . 4.630 2.459 2.317 2.887 . 0 0 "[ . 1 . ]" 4
217 1 105 VAL MG1 1 109 VAL QG . . 5.580 2.454 2.279 2.762 . 0 0 "[ . 1 . ]" 4
218 1 105 VAL MG1 1 109 VAL H . . 4.680 3.962 3.790 4.221 . 0 0 "[ . 1 . ]" 4
219 1 105 VAL MG1 1 188 PHE QE . . 4.310 3.001 2.641 3.188 . 0 0 "[ . 1 . ]" 4
220 1 105 VAL MG1 1 106 ASP H . . 4.030 3.299 3.112 3.390 . 0 0 "[ . 1 . ]" 4
221 1 105 VAL MG1 1 138 PHE H . . 5.900 6.341 6.114 6.613 0.713 7 5 "[ - . + *1 * *. ]" 4
222 1 105 VAL MG2 1 106 ASP H . . 4.030 3.984 3.930 4.076 0.046 5 0 "[ . 1 . ]" 4
223 1 107 ARG HG2 1 108 LEU QD . . 4.030 2.930 2.433 3.553 . 0 0 "[ . 1 . ]" 4
224 1 108 LEU H 1 108 LEU QD . . 4.030 2.375 2.309 2.580 . 0 0 "[ . 1 . ]" 4
225 1 108 LEU HA 1 108 LEU QD . . 4.270 2.180 2.112 2.211 . 0 0 "[ . 1 . ]" 4
226 1 108 LEU QD 1 188 PHE QD . . 4.080 3.093 2.834 3.492 . 0 0 "[ . 1 . ]" 4
227 1 108 LEU QD 1 111 LYS QE . . 3.250 4.337 4.103 4.548 1.298 4 16 [***+***********-] 4
228 1 108 LEU QD 1 111 LYS QB . . 3.250 3.386 3.168 3.547 0.297 4 0 "[ . 1 . ]" 4
229 1 108 LEU QD 1 180 ASP QB . . 3.230 2.398 2.129 2.776 . 0 0 "[ . 1 . ]" 4
230 1 108 LEU QD 1 188 PHE H . . 4.870 3.981 3.331 4.306 . 0 0 "[ . 1 . ]" 4
231 1 109 VAL H 1 109 VAL QG . . 3.160 2.132 2.098 2.156 . 0 0 "[ . 1 . ]" 4
232 1 109 VAL QG 1 136 ILE MD . . 3.220 2.951 2.845 3.111 . 0 0 "[ . 1 . ]" 4
233 1 109 VAL QG 1 188 PHE QE . . 4.130 2.444 2.297 2.528 . 0 0 "[ . 1 . ]" 4
234 1 109 VAL QG 1 188 PHE QD . . 4.370 3.631 3.215 4.108 . 0 0 "[ . 1 . ]" 4
235 1 109 VAL QG 1 136 ILE HG12 . . 4.340 3.277 3.050 3.400 . 0 0 "[ . 1 . ]" 4
236 1 109 VAL QG 1 136 ILE HG13 . . 4.340 2.089 2.053 2.152 . 0 0 "[ . 1 . ]" 4
237 1 109 VAL QG 1 136 ILE QG . . 2.750 2.067 2.032 2.130 . 0 0 "[ . 1 . ]" 4
238 1 109 VAL QG 1 110 SER H . . 3.790 2.273 2.232 2.321 . 0 0 "[ . 1 . ]" 4
239 1 109 VAL QG 1 111 LYS H . . 4.960 4.235 4.173 4.326 . 0 0 "[ . 1 . ]" 4
240 1 109 VAL QG 1 192 ALA MB . . 5.030 3.467 3.209 3.750 . 0 0 "[ . 1 . ]" 4
241 1 109 VAL QG 1 196 LEU QD . . 4.740 2.905 2.676 3.129 . 0 0 "[ . 1 . ]" 4
242 1 109 VAL QG 1 113 LEU MD1 . . 4.450 4.123 3.365 4.727 0.277 16 0 "[ . 1 . ]" 4
243 1 109 VAL QG 1 136 ILE MG . . 4.580 2.154 2.108 2.225 . 0 0 "[ . 1 . ]" 4
244 1 109 VAL QG 1 113 LEU QB . . 3.240 3.131 3.016 3.259 0.019 16 0 "[ . 1 . ]" 4
245 1 109 VAL QG 1 113 LEU MD2 . . 3.450 3.231 3.074 3.413 . 0 0 "[ . 1 . ]" 4
246 1 109 VAL QG 1 113 LEU H . . 4.290 4.161 4.059 4.246 . 0 0 "[ . 1 . ]" 4
247 1 111 LYS H 1 189 LEU QD . . 4.420 4.026 3.817 4.178 . 0 0 "[ . 1 . ]" 4
248 1 111 LYS QB 1 189 LEU QD . . 2.060 2.277 2.227 2.354 0.294 6 0 "[ . 1 . ]" 4
249 1 111 LYS QE 1 189 LEU QD . . 2.070 2.537 2.241 2.745 0.675 4 6 "[** +. * - * . ]" 4
250 1 111 LYS HE2 1 189 LEU QD . . 4.030 2.584 2.277 2.807 . 0 0 "[ . 1 . ]" 4
251 1 111 LYS HE3 1 189 LEU QD . . 4.030 3.691 3.344 3.877 . 0 0 "[ . 1 . ]" 4
252 1 111 LYS QG 1 189 LEU QD . . 2.070 2.188 2.126 2.252 0.182 10 0 "[ . 1 . ]" 4
253 1 111 LYS HG2 1 189 LEU QD . . 4.030 2.210 2.146 2.277 . 0 0 "[ . 1 . ]" 4
254 1 111 LYS HG3 1 189 LEU QD . . 4.030 3.512 3.433 3.572 . 0 0 "[ . 1 . ]" 4
255 1 112 ALA H 1 189 LEU QD . . 3.790 3.207 2.817 3.378 . 0 0 "[ . 1 . ]" 4
256 1 112 ALA HA 1 189 LEU QD . . 4.490 2.974 2.801 3.353 . 0 0 "[ . 1 . ]" 4
257 1 112 ALA MB 1 189 LEU QD . . 4.650 2.203 2.103 2.294 . 0 0 "[ . 1 . ]" 4
258 1 112 ALA MB 1 196 LEU QD . . 4.430 3.338 3.027 3.550 . 0 0 "[ . 1 . ]" 4
259 1 113 LEU H 1 113 LEU MD2 . . 4.310 4.303 4.077 4.366 0.056 13 0 "[ . 1 . ]" 4
260 1 113 LEU H 1 113 LEU MD1 . . 4.600 4.197 4.046 4.335 . 0 0 "[ . 1 . ]" 4
261 1 113 LEU H 1 196 LEU QD . . 4.480 3.916 3.730 4.142 . 0 0 "[ . 1 . ]" 4
262 1 113 LEU HA 1 113 LEU MD2 . . 3.760 4.010 3.874 4.055 0.295 9 0 "[ . 1 . ]" 4
263 1 113 LEU HA 1 113 LEU MD1 . . 4.170 2.552 2.295 3.378 . 0 0 "[ . 1 . ]" 4
264 1 113 LEU QB 1 196 LEU QD . . 3.440 2.918 2.720 3.131 . 0 0 "[ . 1 . ]" 4
265 1 113 LEU QD 1 196 LEU QD . . 3.380 2.165 2.043 2.273 . 0 0 "[ . 1 . ]" 4
266 1 109 VAL QG 1 113 LEU QD . . 3.450 3.109 2.934 3.322 . 0 0 "[ . 1 . ]" 4
267 1 113 LEU QD 1 196 LEU QB . . 3.250 2.637 2.279 3.155 . 0 0 "[ . 1 . ]" 4
268 1 113 LEU QD 1 136 ILE MD . . 5.580 3.878 3.555 4.230 . 0 0 "[ . 1 . ]" 4
269 1 113 LEU QD 1 134 ILE HG13 . . 5.370 4.196 3.336 5.155 . 0 0 "[ . 1 . ]" 4
270 1 113 LEU QD 1 124 PHE QB . . 3.220 2.905 2.390 3.317 0.097 15 0 "[ . 1 . ]" 4
271 1 113 LEU MD1 1 196 LEU QD . . 3.380 2.188 2.051 2.332 . 0 0 "[ . 1 . ]" 4
272 1 113 LEU MD1 1 196 LEU QB . . 3.250 2.650 2.284 3.183 . 0 0 "[ . 1 . ]" 4
273 1 113 LEU MD1 1 124 PHE QD . . 4.470 3.531 2.818 3.878 . 0 0 "[ . 1 . ]" 4
274 1 113 LEU MD1 1 124 PHE QE . . 4.960 2.795 2.264 3.375 . 0 0 "[ . 1 . ]" 4
275 1 113 LEU MD2 1 196 LEU QD . . 3.380 3.598 3.127 4.108 0.728 5 1 "[ + 1 . ]" 4
276 1 113 LEU MD2 1 124 PHE QD . . 4.000 2.711 2.315 3.116 . 0 0 "[ . 1 . ]" 4
277 1 113 LEU MD2 1 134 ILE MD . . 5.090 4.592 3.323 5.478 0.388 10 0 "[ . 1 . ]" 4
278 1 113 LEU MD2 1 124 PHE QE . . 4.960 3.558 2.642 3.805 . 0 0 "[ . 1 . ]" 4
279 1 115 MET ME 1 226 LEU MD2 . . 5.270 3.750 2.174 5.425 0.155 8 0 "[ . 1 . ]" 4
280 1 115 MET ME 1 226 LEU MD1 . . 5.270 4.690 3.691 5.933 0.663 6 1 "[ .+ 1 . ]" 4
281 1 116 TRP H 1 200 LEU MD1 . . 4.610 4.678 4.535 4.944 0.334 6 0 "[ . 1 . ]" 4
282 1 116 TRP H 1 226 LEU MD2 . . 5.030 3.390 2.688 4.127 . 0 0 "[ . 1 . ]" 4
283 1 116 TRP HA 1 226 LEU MD1 . . 4.600 2.991 2.333 3.778 . 0 0 "[ . 1 . ]" 4
284 1 116 TRP HB2 1 226 LEU MD1 . . 5.420 5.184 4.696 5.764 0.344 13 0 "[ . 1 . ]" 4
285 1 116 TRP HB3 1 200 LEU MD1 . . 4.410 2.154 2.070 2.240 . 0 0 "[ . 1 . ]" 4
286 1 116 TRP HB3 1 226 LEU MD1 . . 5.010 4.755 4.374 5.261 0.251 3 0 "[ . 1 . ]" 4
287 1 116 TRP HE1 1 211 VAL QG . . 4.830 3.657 2.850 4.057 . 0 0 "[ . 1 . ]" 4
288 1 116 TRP HE1 1 200 LEU MD1 . . 5.230 4.256 3.937 4.530 . 0 0 "[ . 1 . ]" 4
289 1 116 TRP HE1 1 226 LEU MD2 . . 5.360 4.072 3.064 4.605 . 0 0 "[ . 1 . ]" 4
290 1 116 TRP HE3 1 226 LEU MD1 . . 4.940 3.535 2.651 4.802 . 0 0 "[ . 1 . ]" 4
291 1 116 TRP HZ2 1 226 LEU MD2 . . 4.900 4.245 3.641 5.118 0.218 14 0 "[ . 1 . ]" 4
292 1 117 GLY H 1 200 LEU MD1 . . 4.820 4.445 4.055 5.286 0.466 13 0 "[ . 1 . ]" 4
293 1 119 GLU H 1 226 LEU MD2 . . 5.150 5.282 4.670 5.716 0.566 16 2 "[ . 1- .+]" 4
294 1 120 ILE MD 1 122 LEU MD1 . . 4.220 2.113 2.034 2.223 . 0 0 "[ . 1 . ]" 4
295 1 120 ILE MD 1 200 LEU MD2 . . 4.380 3.890 3.446 4.153 . 0 0 "[ . 1 . ]" 4
296 1 122 LEU H 1 122 LEU MD1 . . 4.890 3.822 3.632 3.924 . 0 0 "[ . 1 . ]" 4
297 1 122 LEU HA 1 122 LEU MD2 . . 4.250 2.215 2.176 2.295 . 0 0 "[ . 1 . ]" 4
298 1 122 LEU HA 1 122 LEU MD1 . . 4.250 3.922 3.897 3.952 . 0 0 "[ . 1 . ]" 4
299 1 122 LEU QB 1 123 HIS QB . . 4.560 4.221 4.144 4.340 . 0 0 "[ . 1 . ]" 4
300 1 122 LEU HB2 1 122 LEU MD1 . . 3.520 2.369 2.337 2.406 . 0 0 "[ . 1 . ]" 4
301 1 122 LEU HB3 1 123 HIS HB2 . . 4.560 5.054 4.958 5.137 0.577 4 6 "[ * +.** 1 *-]" 4
302 1 122 LEU HB3 1 123 HIS HB3 . . 4.560 4.865 4.762 5.098 0.538 4 1 "[ +. 1 . ]" 4
303 1 122 LEU MD1 1 124 PHE QE . . 5.100 2.510 2.148 4.179 . 0 0 "[ . 1 . ]" 4
304 1 122 LEU MD1 1 238 TYR QD . . 4.390 4.465 3.975 4.857 0.467 9 0 "[ . 1 . ]" 4
305 1 122 LEU MD2 1 124 PHE QE . . 4.720 4.201 3.900 4.762 0.042 4 0 "[ . 1 . ]" 4
306 1 122 LEU MD2 1 123 HIS H . . 4.460 3.026 2.653 3.375 . 0 0 "[ . 1 . ]" 4
307 1 122 LEU MD2 1 238 TYR QD . . 4.390 3.969 3.440 4.766 0.376 2 0 "[ . 1 . ]" 4
308 1 124 PHE QE 1 200 LEU MD2 . . 3.770 3.492 2.718 3.964 0.194 13 0 "[ . 1 . ]" 4
309 1 124 PHE QE 1 200 LEU MD1 . . 4.040 3.801 3.235 4.232 0.192 13 0 "[ . 1 . ]" 4
310 1 126 LYS HA 1 127 VAL QG . . 4.640 3.272 3.128 3.481 . 0 0 "[ . 1 . ]" 4
311 1 126 LYS HA 1 128 VAL QG . . 4.900 4.882 4.783 4.948 0.048 11 0 "[ . 1 . ]" 4
312 1 126 LYS QB 1 128 VAL QG . . 4.690 3.799 3.375 4.295 . 0 0 "[ . 1 . ]" 4
313 1 126 LYS HB2 1 128 VAL QG . . 4.660 4.887 4.779 4.991 0.331 11 0 "[ . 1 . ]" 4
314 1 126 LYS HB3 1 128 VAL QG . . 4.660 4.014 3.450 4.790 0.130 5 0 "[ . 1 . ]" 4
315 1 126 LYS QD 1 128 VAL QG . . 4.260 2.360 2.133 2.504 . 0 0 "[ . 1 . ]" 4
316 1 126 LYS HD2 1 128 VAL QG . . 3.530 2.424 2.171 2.577 . 0 0 "[ . 1 . ]" 4
317 1 126 LYS HD3 1 128 VAL QG . . 3.530 3.252 3.122 3.404 . 0 0 "[ . 1 . ]" 4
318 1 126 LYS QE 1 128 VAL QG . . 3.840 2.793 2.249 3.818 . 0 0 "[ . 1 . ]" 4
319 1 126 LYS HE2 1 128 VAL QG . . 4.310 3.478 2.271 4.538 0.228 7 0 "[ . 1 . ]" 4
320 1 126 LYS HE3 1 128 VAL QG . . 4.310 3.182 2.305 4.107 . 0 0 "[ . 1 . ]" 4
321 1 127 VAL H 1 127 VAL QG . . 3.610 2.064 2.029 2.095 . 0 0 "[ . 1 . ]" 4
322 1 127 VAL HA 1 128 VAL QG . . 4.940 3.214 2.997 3.395 . 0 0 "[ . 1 . ]" 4
323 1 127 VAL QG 1 129 TRP H . . 4.990 4.524 4.101 4.893 . 0 0 "[ . 1 . ]" 4
324 1 127 VAL QG 1 128 VAL H . . 4.780 3.439 3.159 3.722 . 0 0 "[ . 1 . ]" 4
325 1 127 VAL QG 1 132 ALA H . . 5.460 4.497 4.236 4.759 . 0 0 "[ . 1 . ]" 4
326 1 127 VAL QG 1 133 ASP H . . 4.800 4.383 4.138 4.591 . 0 0 "[ . 1 . ]" 4
327 1 127 VAL QG 1 132 ALA MB . . 4.830 2.065 2.027 2.112 . 0 0 "[ . 1 . ]" 4
328 1 127 VAL QG 1 135 MET ME . . 6.320 4.654 4.253 4.877 . 0 0 "[ . 1 . ]" 4
329 1 128 VAL H 1 128 VAL QG . . 3.530 2.495 2.248 2.753 . 0 0 "[ . 1 . ]" 4
330 1 127 VAL QG 1 128 VAL HA . . 3.890 3.719 3.359 3.999 0.109 14 0 "[ . 1 . ]" 4
331 1 128 VAL QG 1 129 TRP H . . 4.310 2.986 2.299 3.682 . 0 0 "[ . 1 . ]" 4
332 1 128 VAL QG 1 129 TRP HD1 . . 4.700 3.542 3.320 3.697 . 0 0 "[ . 1 . ]" 4
333 1 128 VAL QG 1 129 TRP HE1 . . 4.660 2.683 2.554 2.838 . 0 0 "[ . 1 . ]" 4
334 1 128 VAL QG 1 129 TRP HB3 . . 4.740 4.735 4.563 4.876 0.136 1 0 "[ . 1 . ]" 4
335 1 128 VAL QG 1 129 TRP HB2 . . 4.740 4.957 4.670 5.171 0.431 10 0 "[ . 1 . ]" 4
336 1 128 VAL QG 1 129 TRP QB . . 4.150 4.308 4.139 4.442 0.292 1 0 "[ . 1 . ]" 4
337 1 134 ILE MG 1 196 LEU QD . . 4.730 2.301 2.065 2.508 . 0 0 "[ . 1 . ]" 4
338 1 136 ILE H 1 136 ILE HG12 . . 3.560 2.455 2.365 2.508 . 0 0 "[ . 1 . ]" 4
339 1 136 ILE H 1 136 ILE HG13 . . 3.560 3.954 3.891 3.999 0.439 8 0 "[ . 1 . ]" 4
340 1 156 LEU H 1 156 LEU QD . . 4.980 3.922 3.798 4.109 . 0 0 "[ . 1 . ]" 4
341 1 156 LEU QD 1 216 TYR QD . . 5.160 3.313 2.849 3.524 . 0 0 "[ . 1 . ]" 4
342 1 156 LEU QD 1 186 ILE HB . . 5.220 3.177 3.069 3.305 . 0 0 "[ . 1 . ]" 4
343 1 156 LEU QD 1 186 ILE QG . . 4.420 2.085 1.995 2.183 . 0 0 "[ . 1 . ]" 4
344 1 156 LEU QD 1 186 ILE MG . . 4.840 1.973 1.911 2.066 . 0 0 "[ . 1 . ]" 4
345 1 156 LEU QD 1 186 ILE MD . . 4.130 2.551 2.298 2.869 . 0 0 "[ . 1 . ]" 4
346 1 156 LEU QD 1 191 ALA MB . . 6.190 2.730 2.522 2.990 . 0 0 "[ . 1 . ]" 4
347 1 156 LEU QD 1 177 ARG H . . 5.050 4.311 4.053 4.530 . 0 0 "[ . 1 . ]" 4
348 1 156 LEU QD 1 186 ILE H . . 4.680 4.836 4.699 4.975 0.295 10 0 "[ . 1 . ]" 4
349 1 156 LEU QD 1 176 GLU QG . . 4.790 2.254 2.159 2.540 . 0 0 "[ . 1 . ]" 4
350 1 156 LEU QD 1 173 ASP QB . . 5.460 3.138 2.872 3.364 . 0 0 "[ . 1 . ]" 4
351 1 166 LEU HA 1 166 LEU MD2 . . 4.320 3.139 2.372 3.390 . 0 0 "[ . 1 . ]" 4
352 1 166 LEU MD1 1 167 GLY H . . 5.740 4.592 4.439 4.958 . 0 0 "[ . 1 . ]" 4
353 1 166 LEU MD2 1 167 GLY H . . 5.740 3.294 2.965 4.256 . 0 0 "[ . 1 . ]" 4
354 1 166 LEU MD2 1 169 ASP H . . 4.890 4.385 4.152 5.049 0.159 11 0 "[ . 1 . ]" 4
355 1 170 ALA H 1 196 LEU QD . . 5.660 4.556 4.298 4.846 . 0 0 "[ . 1 . ]" 4
356 1 179 THR MG 1 184 LEU H . . 5.440 2.161 2.085 2.637 . 0 0 "[ . 1 . ]" 4
357 1 189 LEU H 1 189 LEU QD . . 4.000 3.349 3.152 3.741 . 0 0 "[ . 1 . ]" 4
358 1 189 LEU QB 1 189 LEU QD . . 2.070 2.103 1.998 2.127 0.057 2 0 "[ . 1 . ]" 4
359 1 189 LEU QD 1 190 TYR HA . . 4.700 3.771 3.255 4.049 . 0 0 "[ . 1 . ]" 4
360 1 189 LEU QD 1 192 ALA MB . . 4.740 3.053 2.569 3.264 . 0 0 "[ . 1 . ]" 4
361 1 189 LEU QD 1 224 PHE QE . . 4.730 2.280 2.145 2.397 . 0 0 "[ . 1 . ]" 4
362 1 192 ALA MB 1 196 LEU QD . . 4.040 2.308 2.251 2.374 . 0 0 "[ . 1 . ]" 4
363 1 193 THR MG 1 226 LEU MD2 . . 4.710 2.301 1.972 2.667 . 0 0 "[ . 1 . ]" 4
364 1 194 HIS H 1 211 VAL QG . . 4.360 4.082 3.726 4.346 . 0 0 "[ . 1 . ]" 4
365 1 195 ALA H 1 211 VAL QG . . 5.940 5.884 5.172 6.124 0.184 3 0 "[ . 1 . ]" 4
366 1 195 ALA MB 1 196 LEU QD . . 5.060 2.484 2.370 2.588 . 0 0 "[ . 1 . ]" 4
367 1 196 LEU H 1 196 LEU QD . . 3.790 2.238 2.200 2.266 . 0 0 "[ . 1 . ]" 4
368 1 196 LEU HA 1 196 LEU QD . . 3.620 2.155 2.130 2.174 . 0 0 "[ . 1 . ]" 4
369 1 196 LEU QD 1 198 HIS H . . 5.400 5.096 5.008 5.204 . 0 0 "[ . 1 . ]" 4
370 1 196 LEU QD 1 197 GLY H . . 4.870 4.034 3.970 4.102 . 0 0 "[ . 1 . ]" 4
371 1 196 LEU QD 1 199 SER H . . 5.360 4.226 4.124 4.376 . 0 0 "[ . 1 . ]" 4
372 1 197 GLY H 1 200 LEU MD1 . . 4.970 4.831 4.710 5.001 0.031 10 0 "[ . 1 . ]" 4
373 1 199 SER H 1 200 LEU MD2 . . 4.810 4.375 4.222 4.479 . 0 0 "[ . 1 . ]" 4
374 1 200 LEU H 1 200 LEU MD1 . . 4.150 3.842 3.803 3.906 . 0 0 "[ . 1 . ]" 4
375 1 200 LEU H 1 200 LEU MD2 . . 4.120 3.014 2.843 3.163 . 0 0 "[ . 1 . ]" 4
376 1 200 LEU HB3 1 200 LEU MD2 . . 3.430 2.556 2.526 2.589 . 0 0 "[ . 1 . ]" 4
377 1 200 LEU HB3 1 200 LEU MD1 . . 3.520 2.426 2.390 2.466 . 0 0 "[ . 1 . ]" 4
378 1 200 LEU MD1 1 202 MET ME . . 5.240 4.826 4.122 5.380 0.140 2 0 "[ . 1 . ]" 4
379 1 200 LEU MD1 1 201 GLY H . . 5.420 5.545 5.399 5.705 0.285 9 0 "[ . 1 . ]" 4
380 1 200 LEU MD1 1 202 MET H . . 4.490 4.750 4.445 4.960 0.470 6 0 "[ . 1 . ]" 4
381 1 200 LEU MD2 1 202 MET H . . 4.990 5.254 5.040 5.447 0.457 1 0 "[ . 1 . ]" 4
382 1 200 LEU MD2 1 201 GLY H . . 4.610 4.591 4.503 4.682 0.072 15 0 "[ . 1 . ]" 4
383 1 202 MET ME 1 226 LEU MD1 . . 6.190 5.406 4.206 6.684 0.494 10 0 "[ . 1 . ]" 4
384 1 210 ALA MB 1 211 VAL QG . . 4.080 3.938 3.351 4.143 0.063 11 0 "[ . 1 . ]" 4
385 1 211 VAL H 1 211 VAL QG . . 3.670 2.693 2.080 3.005 . 0 0 "[ . 1 . ]" 4
386 1 211 VAL QG 1 212 MET H . . 4.630 2.451 2.225 2.742 . 0 0 "[ . 1 . ]" 4
387 1 211 VAL QG 1 227 SER H . . 4.050 3.226 3.022 3.652 . 0 0 "[ . 1 . ]" 4
388 1 211 VAL QG 1 226 LEU MD2 . . 2.750 2.370 2.108 2.820 0.070 14 0 "[ . 1 . ]" 4
389 1 224 PHE QE 1 226 LEU MD2 . . 5.410 3.737 2.975 5.131 . 0 0 "[ . 1 . ]" 4
390 1 224 PHE QE 1 226 LEU MD1 . . 5.410 5.120 4.638 5.808 0.398 6 0 "[ . 1 . ]" 4
391 1 226 LEU H 1 226 LEU MD1 . . 4.170 3.859 3.259 4.428 0.258 6 0 "[ . 1 . ]" 4
392 1 226 LEU H 1 226 LEU MD2 . . 4.820 3.173 2.342 4.133 . 0 0 "[ . 1 . ]" 4
393 1 226 LEU HA 1 226 LEU MD2 . . 4.360 2.312 2.201 2.422 . 0 0 "[ . 1 . ]" 4
394 1 226 LEU HB2 1 226 LEU MD1 . . 3.520 2.836 2.266 3.296 . 0 0 "[ . 1 . ]" 4
395 1 226 LEU HB3 1 226 LEU MD1 . . 3.520 2.423 2.265 2.586 . 0 0 "[ . 1 . ]" 4
396 1 226 LEU MD1 1 231 ILE QG . . 2.740 2.632 2.448 2.938 0.198 3 0 "[ . 1 . ]" 4
397 1 226 LEU MD1 1 231 ILE MD . . 4.400 3.259 2.189 3.911 . 0 0 "[ . 1 . ]" 4
398 1 226 LEU MD1 1 234 ILE MG . . 5.280 4.420 3.859 5.239 . 0 0 "[ . 1 . ]" 4
399 1 226 LEU MD2 1 227 SER H . . 5.400 3.681 2.943 4.267 . 0 0 "[ . 1 . ]" 4
400 1 237 LEU H 1 237 LEU QD . . 5.100 3.863 3.785 3.942 . 0 0 "[ . 1 . ]" 4
401 1 237 LEU HA 1 237 LEU QD . . 3.470 2.959 2.837 3.021 . 0 0 "[ . 1 . ]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 5
_Distance_constraint_stats_list.Viol_count 30
_Distance_constraint_stats_list.Viol_total 194.686
_Distance_constraint_stats_list.Viol_max 1.443
_Distance_constraint_stats_list.Viol_rms 0.2855
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1521
_Distance_constraint_stats_list.Viol_average_violations_only 0.4056
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 66 ARG 7.290 1.443 16 4 "[ . - 1 * *.+]"
1 71 ASP 7.290 1.443 16 4 "[ . - 1 * *.+]"
1 84 TRP 0.847 0.659 16 1 "[ . 1 .+]"
1 90 THR 1.898 0.928 6 2 "[ .+ 1 - ]"
1 133 ASP 1.898 0.928 6 2 "[ .+ 1 - ]"
1 154 ASN 2.134 0.572 2 1 "[ + . 1 . ]"
1 155 THR 2.134 0.572 2 1 "[ + . 1 . ]"
1 238 TYR 0.847 0.659 16 1 "[ . 1 .+]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 66 ARG NH1 1 71 ASP OD2 . . 4.000 3.983 2.800 5.263 1.263 16 4 "[ . - 1 * *.+]" 5
2 1 66 ARG NH2 1 71 ASP OD1 . . 4.000 4.004 3.198 5.443 1.443 16 1 "[ . 1 .+]" 5
3 1 154 ASN OD1 1 155 THR HG1 . . 2.400 2.413 1.881 2.972 0.572 2 1 "[ + . 1 . ]" 5
4 1 90 THR HG1 1 133 ASP OD2 . . 2.400 2.343 2.003 3.328 0.928 6 2 "[ .+ 1 - ]" 5
5 1 84 TRP O 1 238 TYR HH . . 2.400 2.103 1.775 3.059 0.659 16 1 "[ . 1 .+]" 5
stop_
save_
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